#DEFINITION	Reference Metabolome for Cucurbita moschata
#IDENTTFIER	RefMeta-Cucurbita moschata.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Cucurbita moschata
#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 Cucurbita moschata was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.6425
Annotation	Unknow
Peak:m/z	Relative Intensity
71.15451	1.3
78.95776	24.6
87.92654	0.5
111.74254	0.5
115.36599	0.5
121.99937	0.7
140.01088	5.5
152.99471	2.9
196.03725	10.9
214.04796	2.2
224.13448	0.5
255.23230	2.5
263.16638	0.7
277.21860	0.7
281.24844	100.0
282.25171	5.7
369.03815	0.5
478.29388	88.8
479.29749	6.1
483.27109	1.1
999.55908	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.552
Annotation	Unknow
Peak:m/z	Relative Intensity
70.45129	0.8
71.01254	11.4
71.04913	0.3
72.99166	0.8
73.02825	1.6
75.00744	0.3
78.95766	0.2
79.95606	0.3
81.03339	0.8
83.01255	1.5
83.04895	0.8
84.02042	0.2
84.04376	0.2
85.02824	3.3
87.00757	2.8
89.02312	9.4
93.03343	0.3
95.01272	0.8
95.04885	0.3
96.95889	2.6
97.02821	4.2
97.03393	0.4
97.06492	0.4
99.00755	0.6
101.02319	8.4
109.06477	0.6
111.00795	0.2
111.04394	0.4
111.08042	8.9
112.08373	0.3
113.02326	4.8
119.03397	2.6
119.08517	0.3
121.10171	0.2
125.02322	3.0
125.09613	0.8
127.07547	1.0
131.03358	0.4
137.09627	0.9
139.03918	0.3
141.01808	0.4
141.09183	0.3
143.03409	1.6
149.04485	0.5
149.09610	0.2
151.11163	0.5
153.09085	0.3
153.12750	0.8
155.10765	0.3
161.04454	2.2
162.79550	0.2
163.11197	0.9
165.12762	2.0
167.10648	0.4
169.04897	0.2
169.12251	3.8
171.10199	1.6
177.12759	0.3
179.05544	2.7
179.10724	0.7
179.14342	0.3
181.12250	1.2
183.13844	0.9
185.11742	0.3
191.14273	0.3
193.12242	0.6
193.15985	0.3
197.11760	47.7
198.12090	2.3
199.06140	0.3
199.13345	3.1
207.10223	0.3
207.13799	0.3
209.11766	1.2
211.13326	6.6
212.13776	0.3
217.07146	0.3
219.17500	0.2
221.06625	1.0
223.13387	0.3
225.14784	0.4
227.12822	2.0
229.19583	0.3
235.08192	2.6
247.20607	1.7
251.16373	0.2
253.09305	1.0
263.07697	0.4
263.20117	2.6
265.18170	1.1
273.18643	1.3
287.07764	0.8
289.17737	0.2
291.19647	23.9
292.19989	1.6
293.21063	0.7
297.15295	0.6
305.08771	0.7
309.20694	100.0
310.21014	6.6
323.09818	0.8
325.20178	0.5
327.21756	0.3
333.20776	0.5
336.80112	0.2
379.12418	1.2
397.13477	23.1
398.13892	1.2
415.14578	13.5
415.19183	0.2
416.14929	0.5
513.71802	0.3
577.25000	0.3
595.26166	0.6
601.41040	2.1
689.34039	2.4
707.35028	4.5
708.35114	0.8
999.55920	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01251	10.3
72.99165	0.9
73.02820	1.5
75.00732	0.4
80.02583	0.3
81.03325	0.5
83.01273	1.0
83.04907	0.6
85.02815	2.3
87.00752	2.2
89.02311	7.6
89.11686	0.2
93.03333	0.3
93.06970	0.3
94.92414	0.2
95.01277	0.8
95.04876	0.3
96.95882	3.1
97.02824	2.3
97.06482	0.5
99.00753	0.6
101.02319	6.9
109.02853	0.2
109.06483	0.8
111.00785	0.3
111.04403	0.2
111.08035	8.8
112.08391	0.3
113.02322	4.3
119.03376	1.9
121.02798	0.3
123.04422	0.2
124.01521	0.2
125.02320	2.5
125.09612	0.5
127.03900	0.2
127.07536	0.9
127.27651	0.2
131.03384	0.5
135.07956	0.2
137.09589	0.6
139.03900	0.2
141.01819	0.3
141.09132	0.4
143.03397	1.3
145.05095	0.2
147.54066	0.2
149.04457	0.3
149.09570	0.2
151.11200	0.9
153.09135	0.3
153.12762	0.7
155.10724	0.2
161.04456	1.7
163.11174	0.6
165.12782	1.2
167.10716	0.5
169.12250	3.9
171.10184	1.5
177.09140	0.2
177.12636	0.3
179.05522	2.9
179.10667	0.6
181.12222	1.3
183.01163	0.5
183.13828	1.0
185.11766	0.4
193.12263	0.5
197.11757	43.7
198.12057	1.6
199.13335	2.3
209.11809	1.0
211.13312	7.0
212.13734	0.3
217.07089	0.2
221.06664	1.1
221.11705	0.2
223.13353	0.4
225.11313	0.2
227.12883	1.8
229.19576	0.4
230.11612	0.2
235.08162	2.5
238.75589	0.2
247.20663	0.9
253.09213	1.0
263.07690	0.4
263.20108	2.7
265.18118	1.3
273.18536	1.1
275.19861	0.3
287.07584	0.6
289.17847	0.3
291.19647	19.5
292.19949	1.2
293.21036	0.9
294.21625	0.2
297.15271	1.4
305.08752	0.7
309.20682	100.0
310.21024	6.2
311.16818	0.3
316.83237	0.2
323.09821	0.7
325.20349	0.4
327.21759	0.4
333.20779	0.4
379.12430	0.9
397.13477	19.3
398.13861	1.2
398.69308	0.2
415.14545	13.8
416.14978	0.9
537.33337	0.2
577.25189	0.2
595.26154	0.4
601.40942	1.9
602.41016	0.2
655.93640	0.2
689.34113	1.8
690.34070	0.3
707.34833	4.5
708.35571	0.5
787.23608	0.2
839.70941	0.2
999.54633	0.7
1000.53790	0.4
1033.40967	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.4656
Annotation	Unknow
Peak:m/z	Relative Intensity
69.92899	1.2
71.01257	44.4
71.57362	1.4
71.57748	2.4
72.99168	3.2
73.02814	8.7
76.89498	1.1
78.95771	2.7
81.03326	1.8
83.01237	4.8
84.52071	1.2
85.02824	12.4
85.99950	1.7
87.00750	16.7
89.02322	33.8
95.01269	2.6
97.02841	6.2
99.00763	3.4
100.51631	1.2
101.02328	38.5
113.02330	24.8
119.03403	9.0
125.02351	16.0
131.03407	8.6
143.03384	5.6
149.22792	1.2
152.99458	2.7
161.04485	14.3
179.05516	15.8
203.05688	1.4
221.06645	6.4
235.08203	3.8
253.09247	4.2
263.07935	1.9
277.21753	14.4
278.21915	1.9
305.08905	1.6
323.09918	3.8
341.11172	1.6
383.11929	9.4
397.13528	11.7
415.14658	8.4
433.62994	1.7
485.15128	3.6
541.17621	3.0
559.18640	22.9
560.18750	1.6
577.20135	6.5
721.24084	100.0
722.24365	11.9
739.25189	29.0
740.25531	3.9
926.88623	1.5
999.46362	13.2
1000.46606	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	997.5375
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03304	2.1
71.01254	20.7
71.04866	2.4
71.05244	0.6
71.57312	0.8
72.99154	1.5
73.02794	2.4
79.95582	0.7
80.02505	1.0
81.03296	2.3
82.85751	0.5
83.01247	2.7
83.04861	2.0
85.02815	4.8
87.00751	4.0
89.02316	18.1
93.03313	0.8
95.01248	1.3
95.04883	1.8
96.95895	5.9
97.02834	4.2
97.06453	1.0
98.03616	1.0
98.19846	0.7
99.00725	1.4
100.77267	0.5
101.01698	0.8
101.02319	14.6
106.04071	0.9
109.06477	10.2
111.00739	1.1
111.04412	3.9
111.08038	8.8
112.18285	0.5
113.02327	7.6
115.13586	0.5
116.92734	0.8
119.03410	5.5
121.06397	1.1
121.10095	0.7
123.04377	0.7
123.08031	1.4
125.02351	5.3
125.09579	1.1
127.07500	2.0
131.03380	0.9
135.08012	1.3
137.09612	1.5
141.01842	1.3
143.03398	2.8
145.06462	1.7
149.09621	1.3
151.11180	1.5
153.09108	0.8
153.12737	0.8
161.04480	3.9
163.11180	1.6
163.94984	0.5
164.71765	0.5
165.12747	1.4
167.10646	2.5
169.12213	3.5
171.10172	5.5
177.12784	0.8
179.05545	7.4
179.10657	1.1
179.49132	0.7
181.12209	1.7
183.13823	1.1
185.11714	1.1
191.01825	0.6
195.13814	2.4
197.02661	1.8
197.11761	35.3
198.12032	1.7
199.13341	1.7
209.11755	1.6
211.13335	4.0
215.14287	1.0
217.16080	0.5
221.06584	2.5
223.13367	0.9
225.11166	0.6
227.12816	1.8
230.02531	1.3
235.08226	5.0
235.13383	0.8
245.19061	5.4
247.20708	1.1
251.16545	1.0
253.09285	1.8
259.36273	0.6
261.18707	0.6
263.07544	0.7
263.20129	2.4
265.18121	1.2
271.10486	1.6
271.16980	1.7
271.86325	0.6
272.10602	0.9
273.18723	0.7
287.07816	2.6
287.16373	2.9
289.18091	100.0
290.18472	5.4
291.19644	23.2
292.19922	1.4
293.21219	4.9
297.15295	13.7
305.08890	1.2
305.17554	0.8
307.19135	8.3
309.20712	84.9
310.20935	3.8
323.09879	1.4
333.20709	0.6
379.12384	2.9
397.13507	41.6
398.13797	1.6
415.14468	16.7
418.31488	0.6
581.38458	0.7
595.26959	0.9
669.32123	1.0
687.32397	3.0
689.34180	1.8
707.35101	2.7
711.82263	0.6
780.17261	0.6
979.54169	1.8
997.53833	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.6108
Annotation	Unknow
Peak:m/z	Relative Intensity
70.26421	0.3
70.26846	0.2
78.95776	10.1
92.61206	0.1
96.96836	0.3
122.00021	0.2
140.01082	2.3
152.99486	1.5
171.00516	0.7
179.45760	0.1
196.03738	1.1
196.66154	0.1
214.04797	3.1
214.06778	0.2
261.22269	0.4
279.23279	100.0
280.23624	4.6
324.61938	0.1
476.27808	46.1
477.28125	2.9
595.05151	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	995.6111
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58447	0.2
78.95776	22.4
83.04874	0.2
97.06514	0.1
104.97351	0.2
113.58082	0.1
114.40755	0.1
121.00666	0.1
122.00039	0.7
122.98405	0.2
134.98416	0.3
140.01080	5.5
152.99489	1.9
166.02643	0.2
192.79713	0.1
196.03732	10.3
197.04092	0.2
214.02751	0.2
214.04796	2.7
241.43501	0.1
261.22186	0.5
277.21613	0.1
279.23276	100.0
280.23621	5.9
476.27805	89.9
477.28122	7.9
771.93597	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	997.5372
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03331	2.7
71.01253	22.6
72.60415	0.4
72.99183	2.3
73.02817	3.0
81.03337	2.5
83.01263	3.9
83.04916	1.7
84.02011	0.6
85.02818	6.2
87.00757	5.5
88.03979	0.5
89.02316	20.1
93.03342	0.9
95.01264	2.1
95.04937	1.5
96.95896	2.8
97.02824	7.1
97.06457	3.5
99.00758	1.2
99.04422	0.6
101.02322	17.6
106.04169	0.6
109.02884	0.7
109.06482	1.6
110.03640	0.5
111.04420	0.8
111.08035	9.3
111.08778	0.6
113.02329	10.6
113.03236	0.6
113.03437	0.6
115.03873	0.4
116.92766	0.6
119.03381	5.8
119.08569	0.9
121.02862	0.5
121.06475	0.9
121.10088	0.6
121.73373	0.6
123.04408	2.3
123.08057	1.8
124.01557	0.5
125.02341	7.0
125.06001	1.0
125.09618	5.7
127.07558	0.8
131.03401	0.9
131.04515	0.9
132.02901	0.9
133.04971	0.7
135.08005	1.1
137.06004	0.5
137.09642	3.3
139.03973	0.5
139.07603	0.4
141.01839	0.9
141.12746	0.7
142.02582	0.4
143.03413	3.4
147.08034	0.6
148.52164	0.4
149.05992	0.9
151.11192	0.9
153.12773	1.5
160.08873	0.6
161.04443	4.5
161.09656	0.8
163.07591	0.6
163.11188	6.8
165.12779	3.7
167.10742	0.8
169.12267	4.2
171.10233	3.5
175.11221	0.8
177.12767	1.2
179.05547	6.1
179.10718	1.3
179.14262	0.6
181.12265	2.9
183.01192	0.7
183.13835	1.1
185.11732	5.9
189.12701	0.6
191.14355	6.0
193.12341	1.0
197.02806	0.8
197.11760	49.4
198.12166	1.4
199.13281	2.5
207.10208	2.4
209.11771	16.0
209.13757	0.9
210.74901	0.5
211.13319	7.9
217.07108	0.8
217.15952	1.6
221.06584	2.5
221.11763	0.7
223.13364	0.8
225.11241	3.4
226.12099	0.6
227.12872	4.1
227.18083	0.5
230.24635	0.6
235.08218	5.8
237.11302	3.4
243.17537	0.8
245.06693	0.5
245.19083	12.3
245.21611	0.7
246.19435	0.8
247.16943	1.0
247.20679	2.1
253.09262	1.9
263.07617	1.0
263.20096	5.6
264.20624	0.6
265.18158	1.6
271.17023	2.0
273.18594	1.3
281.21320	1.1
287.07837	1.4
289.18091	58.3
290.18472	3.1
291.19650	28.6
292.20032	1.2
293.21365	0.5
305.08710	2.3
307.19141	62.3
308.19510	2.7
309.20697	100.0
310.21112	4.0
311.16858	1.1
323.09753	1.1
325.18106	3.4
327.21704	0.7
379.12512	2.3
397.13480	42.9
398.13757	1.4
415.14572	18.6
416.14941	1.2
589.23993	0.6
595.25537	0.5
599.39636	0.8
687.32446	2.1
689.33954	1.2
705.33276	2.7
707.35004	2.4
714.57080	0.5
841.92969	0.5
899.46149	1.1
997.53894	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	993.5581
Annotation	Unknow
Peak:m/z	Relative Intensity
70.66573	86.9
96.95909	100.0
130.08612	32.5
171.10239	40.7
216.28854	32.5
248.91315	36.7
251.55258	31.5
279.23529	37.3
325.18481	62.4
325.27408	76.4
408.02002	33.1
483.60684	33.3
526.78815	31.3
743.66412	37.1
993.58057	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	994.6234
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39938	6.1
78.95777	20.6
113.60135	0.6
127.62723	0.7
140.01062	6.0
152.99501	2.1
177.76154	0.6
196.03746	10.1
214.04840	2.2
277.21616	1.1
281.24854	100.0
282.25198	5.3
343.13626	0.6
357.71719	0.8
399.42737	0.7
478.29391	83.8
479.29706	6.6
624.64557	0.6
880.38611	0.8
943.64935	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
79.93252	0.3
83.01245	0.7
85.02853	0.9
91.44148	0.2
91.46875	0.3
93.03313	0.4
102.89537	0.4
107.01267	2.4
107.08971	0.3
108.02069	0.7
109.02841	0.5
121.02853	1.1
125.48032	0.3
135.00745	0.3
148.01578	0.7
149.02322	0.6
151.00269	7.2
163.00269	1.9
164.01079	0.4
169.01292	0.6
178.99763	4.1
191.01894	0.7
199.03871	0.6
201.05623	0.3
209.02885	0.4
211.03949	0.8
215.03403	0.4
226.02705	0.9
227.03430	1.7
229.04930	0.4
243.02957	5.6
244.03386	0.4
245.04451	0.8
254.02240	1.1
255.02959	16.1
256.03320	0.9
271.02463	33.1
272.02914	2.9
273.04037	0.9
283.02396	0.6
295.02460	0.3
299.01996	1.0
300.02737	71.6
301.03461	29.2
302.03958	1.5
303.69781	0.3
485.17548	0.4
558.14081	0.4
609.14587	100.0
610.14929	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	993.5577
Annotation	Unknow
Peak:m/z	Relative Intensity
70.44962	100.0
78.95770	32.9
81.24347	26.5
101.23484	28.7
180.66209	23.8
183.17531	23.5
191.79604	28.8
205.48929	25.3
339.19870	42.7
350.86108	25.5
357.22812	31.1
397.13345	39.0
480.52423	29.8
993.55847	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03343	3.0
69.76167	2.4
71.01251	87.2
72.01598	1.3
72.99178	2.9
73.02812	9.4
75.00748	2.2
78.78484	0.5
78.95763	0.6
80.57480	0.5
81.03309	0.9
81.06956	0.7
83.01299	14.4
84.02042	1.8
84.67995	0.5
85.02822	45.7
86.03165	1.0
87.00747	2.5
87.04317	0.7
89.02316	8.6
95.01263	14.0
96.01633	0.6
96.95875	4.3
97.02833	2.4
98.20515	0.9
99.00731	7.1
101.02316	12.5
105.35222	0.5
111.00700	0.9
112.01549	4.1
113.02329	100.0
114.02674	2.2
123.00536	1.8
125.02199	4.0
127.00075	0.6
129.80656	0.5
131.03409	1.3
139.00175	1.1
141.01593	36.9
142.99519	0.8
143.03387	7.2
147.11646	0.7
149.13275	1.1
151.03627	0.6
152.00745	0.6
153.01598	60.8
154.01933	1.4
155.03198	1.8
161.04466	18.5
165.01625	1.9
166.99525	2.9
167.03157	1.3
170.92804	0.5
171.10045	0.6
183.02675	8.8
191.01901	0.5
193.10156	0.5
195.02673	23.6
197.00563	0.7
209.11748	1.2
225.03752	5.0
225.11334	0.8
227.01727	1.4
243.04839	6.0
309.20831	1.4
319.18884	6.4
320.19064	0.6
345.20529	0.8
381.22803	8.5
403.20993	24.5
404.21387	1.7
421.21320	7.5
422.21640	1.5
447.19968	1.1
463.23117	81.9
464.23465	7.6
465.21185	1.5
476.29623	0.6
481.24362	2.9
507.22198	3.6
747.37500	0.6
993.50787	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.6215
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03313	0.8
71.01254	11.4
72.99175	1.0
73.02816	2.1
75.00743	0.5
78.95787	0.8
81.03321	0.8
81.08762	0.4
83.01250	1.5
85.02827	2.1
87.00765	2.9
89.02319	11.9
91.83128	0.4
92.68749	0.5
92.97221	0.4
95.01272	0.5
97.02818	2.0
98.20612	0.7
99.00768	0.8
101.01698	0.7
101.02328	10.1
111.08027	0.9
112.12471	0.4
113.02321	5.3
113.09601	1.6
114.02675	0.4
119.03402	3.6
123.08060	0.5
125.02346	4.5
125.09576	0.6
127.11163	0.7
131.03387	0.4
140.45056	0.4
141.08112	0.5
141.09134	7.5
141.12721	2.6
142.09473	0.5
143.03401	1.7
152.99408	0.6
153.09152	3.7
153.12628	0.5
155.14369	2.0
157.07381	0.8
157.08624	10.2
161.04439	2.5
165.99953	0.4
171.10210	4.0
171.13808	2.1
179.05565	2.0
187.09668	1.1
205.19496	0.6
221.06622	0.7
233.22708	1.1
235.08212	5.6
253.09222	0.7
277.21686	4.0
279.23294	36.6
280.23636	1.9
287.07794	2.3
293.21317	0.4
293.24628	0.4
295.22742	5.1
305.08777	2.6
311.16928	0.6
311.22290	2.6
312.17218	0.7
312.22690	1.8
313.23846	100.0
314.24219	5.3
323.09915	0.7
329.81625	0.5
397.13507	62.1
398.13852	3.1
415.14590	18.9
415.19049	0.4
416.14783	0.8
632.51849	0.5
641.09924	0.4
677.37292	2.7
678.37799	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.5399
Annotation	Unknow
Peak:m/z	Relative Intensity
69.95765	0.5
69.96170	1.3
71.01247	0.7
75.00707	0.3
78.95776	9.6
85.02798	0.4
88.98690	0.4
90.76878	0.4
94.62991	0.3
96.95895	1.5
97.06477	0.3
110.98412	6.7
111.08063	0.6
114.97830	0.4
116.92680	0.4
152.99495	0.7
167.01042	3.7
167.10701	0.5
171.10162	1.5
177.16310	0.4
179.14322	1.3
183.13795	0.3
185.02118	5.9
195.13824	11.1
196.14363	0.8
205.12271	0.9
205.15907	0.9
209.11664	0.6
211.13405	1.7
222.83472	0.4
223.13362	6.4
224.13722	0.4
225.11343	0.6
228.13646	1.2
231.21280	0.4
235.17026	0.9
256.13159	1.2
265.21710	0.7
269.12152	1.8
275.20154	7.0
275.22861	0.5
276.20456	0.6
291.19565	1.0
293.21219	72.6
294.21503	4.5
309.20557	0.5
461.23083	100.0
462.23480	8.7
991.46271	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.5795
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01274	0.2
71.05859	0.7
78.95779	8.1
85.79287	0.3
122.00027	0.4
140.01109	2.3
152.99501	1.1
163.65233	0.3
172.58800	0.3
196.03789	1.4
214.04828	2.9
233.22792	0.4
259.20639	0.6
275.20154	0.7
277.21722	100.0
278.22037	4.9
451.38092	0.3
474.26276	51.9
475.26764	3.6
768.95026	0.3
838.40259	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.5801
Annotation	Unknow
Peak:m/z	Relative Intensity
70.15174	1.9
71.01238	0.7
78.95778	28.1
94.53909	0.4
121.99996	1.0
140.01096	6.7
152.99469	2.9
196.03741	11.6
214.04816	3.0
233.22780	0.5
259.20697	0.4
275.20047	0.7
277.21716	99.7
278.22089	4.7
349.89755	0.4
474.26260	100.0
475.26559	5.3
488.54446	0.4
535.94659	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.5834
Annotation	Unknow
Peak:m/z	Relative Intensity
70.41589	0.4
71.57954	0.5
78.95776	11.2
87.19597	0.4
92.93834	0.3
96.96822	0.7
121.26732	0.4
138.91333	0.4
146.69479	0.4
152.99500	18.5
154.41216	0.4
162.98672	0.4
165.53793	0.4
171.00536	1.3
227.03270	3.3
245.04311	1.0
255.23276	100.0
256.23593	6.6
483.27301	77.8
484.27576	6.8
698.14020	0.5
709.43768	0.5
870.07196	0.6
989.53088	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	989.5817
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30270	0.8
69.30672	5.1
78.95778	19.4
79.80818	0.6
96.96851	1.0
98.19715	1.0
113.02264	0.5
122.80386	0.5
123.04420	0.5
126.80370	0.5
141.87692	0.5
151.84088	0.5
152.99493	33.8
168.65361	0.5
171.00465	0.9
227.03191	3.8
245.04358	1.4
255.23273	96.5
256.23621	4.0
425.97000	0.6
483.27301	100.0
484.27673	5.8
484.34106	0.8
570.35193	0.6
578.15857	0.6
826.23944	0.6
989.53351	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.6049
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01259	4.9
71.57676	0.5
72.99165	0.6
73.02802	0.6
78.95803	1.0
81.03337	0.6
82.72588	0.5
83.01274	0.6
83.04909	0.9
85.02822	1.0
85.06464	0.7
85.98962	0.5
87.00774	1.2
89.02317	2.7
95.04895	0.5
97.02839	1.1
97.06492	0.7
99.08028	1.1
101.02312	3.5
111.04417	1.1
112.44260	0.5
113.02339	2.1
119.03433	1.4
125.02340	1.2
127.07525	1.3
127.11282	0.6
129.02054	0.6
129.05466	4.6
141.01886	0.5
141.12744	1.3
143.07042	4.6
153.12769	0.8
155.06999	1.3
157.08507	0.8
167.14357	2.6
173.08186	0.7
179.05527	0.9
213.14900	2.3
235.08246	2.1
253.21732	1.7
277.21719	13.7
293.21393	0.6
295.22769	6.1
305.08936	0.9
311.16843	0.9
311.22296	6.7
312.22681	4.9
313.23853	100.0
314.24176	4.3
314.27179	0.8
397.13541	19.8
398.13748	1.7
415.14578	7.3
453.39743	0.7
496.97849	0.6
675.36066	1.3
697.33130	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	988.5506
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03318	0.9
71.01253	16.6
71.57817	0.6
72.99173	2.2
73.02824	2.3
73.03165	0.5
75.00743	0.8
78.83304	0.4
80.02541	0.9
81.03339	1.8
83.01257	1.9
83.04884	4.0
84.02003	0.5
84.04424	2.5
85.02824	4.4
87.00753	3.7
89.02316	14.5
93.03335	0.6
95.01271	1.4
95.04890	1.0
96.95872	0.8
97.02830	2.5
99.00756	0.8
101.01688	0.8
101.02322	13.7
102.05485	25.6
108.17667	0.4
109.02866	0.7
109.06494	0.4
111.00738	0.5
111.08054	0.7
113.02322	7.4
119.03383	4.8
121.02854	0.4
125.02342	5.1
125.05984	0.8
125.09589	0.9
125.44476	0.4
127.03966	0.5
131.03395	0.9
133.04951	3.3
135.08017	0.7
139.03880	0.5
143.03424	2.2
161.04445	4.5
163.09958	0.5
163.11168	2.9
163.83505	0.4
164.10701	2.0
165.12686	2.2
167.03366	0.5
171.10266	0.7
179.05527	5.0
181.12311	0.4
182.11760	0.8
191.01845	0.6
191.10713	1.2
197.11761	4.5
198.12085	0.9
207.10080	0.4
209.11763	100.0
210.12097	4.6
211.13324	0.8
217.07014	1.0
221.06592	1.4
221.38232	0.4
227.12833	22.0
228.13161	0.7
232.13451	1.2
233.11414	0.6
235.08189	5.8
250.14323	0.6
251.12706	0.4
253.09238	1.4
259.08313	0.7
263.07608	0.6
268.15509	1.4
277.21710	55.8
278.22009	4.6
286.16602	2.0
287.07608	1.9
291.19540	0.8
305.08853	1.9
309.20700	5.4
310.21170	1.9
311.22330	0.7
323.09906	1.6
379.12390	13.9
380.12732	0.6
397.13483	54.7
398.13815	2.8
415.14532	10.6
416.14703	0.7
565.29993	0.5
589.25031	6.0
590.24884	0.4
607.26160	4.3
608.26416	0.8
657.35077	3.2
658.35358	0.7
675.35907	6.7
676.36224	1.2
859.14410	0.4
867.47723	2.5
868.47797	0.7
885.47687	0.9
944.52081	6.9
945.53302	1.3
988.54468	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	987.5893
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	1.4
73.02805	0.3
78.95766	0.5
83.01277	0.3
85.02821	0.2
87.00758	0.2
89.02320	1.1
97.02809	0.2
98.67605	0.1
99.08017	0.3
101.02317	1.2
113.02333	0.7
113.09635	0.8
115.07514	0.9
119.03370	0.2
125.02316	0.5
126.38286	0.1
127.07548	0.6
128.08298	0.4
133.01381	0.1
140.70190	0.1
143.03439	0.2
152.99464	0.2
161.04448	0.5
167.14331	2.2
179.05542	0.2
181.12274	0.2
183.13786	2.1
193.12230	0.2
195.13837	8.6
196.14235	0.3
200.54895	0.1
211.13329	1.0
213.14926	1.0
229.14517	0.3
235.08194	0.5
239.23741	0.2
241.14389	0.4
242.15227	1.1
249.22166	0.4
265.21777	0.7
267.23312	0.5
269.21793	0.2
275.20203	0.5
277.21704	3.3
278.21979	0.4
283.22791	0.4
293.21234	7.3
294.21368	0.4
309.20792	0.5
310.21085	0.4
311.22266	100.0
312.22635	4.8
387.45914	0.2
397.13452	5.6
398.13748	0.4
415.14557	2.1
474.26346	0.3
518.12927	0.2
613.55774	0.2
675.35699	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.5328
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	6.6
72.99165	0.8
73.02813	1.0
78.95788	0.9
80.43779	0.7
80.74939	0.7
84.04401	5.7
85.02812	2.5
85.74987	0.7
87.00759	2.0
89.02324	4.1
96.95898	1.8
97.02836	5.0
97.06482	1.2
98.02366	4.0
99.00760	3.9
101.02303	3.8
102.05492	37.4
113.02351	1.9
119.03395	0.9
123.08069	1.0
123.56624	0.8
125.02319	0.9
125.09592	2.5
140.07057	0.8
142.02554	1.4
163.11186	4.9
171.10242	1.6
179.05550	1.0
181.12239	9.5
197.11777	0.9
207.10205	34.9
208.10583	1.7
209.11761	1.4
221.06641	0.9
224.12932	1.7
225.11282	30.5
226.11710	1.2
229.88786	0.9
230.61510	0.9
235.08342	1.2
243.12498	1.0
248.16525	1.0
266.17590	2.8
275.20169	2.0
277.21719	13.2
292.15591	1.6
293.21036	3.8
297.15305	1.3
310.16644	7.7
311.16956	2.7
312.22574	0.9
328.17621	9.4
397.13614	0.9
703.93140	0.9
726.31494	1.3
811.52515	0.9
815.08801	0.8
883.47968	1.4
967.68335	0.8
986.53253	100.0
987.53638	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	987.5894
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03317	0.7
69.68609	2.3
70.50928	0.3
71.01254	7.6
72.99193	0.6
73.02833	1.6
78.95779	1.3
81.03349	0.4
83.01267	1.1
83.04889	0.6
85.02829	2.0
87.00771	2.0
87.01204	0.3
89.02318	6.8
89.02842	0.7
91.84597	0.3
95.01266	0.4
97.02836	1.6
98.20521	0.8
99.08050	1.6
101.02329	6.5
103.03876	0.3
107.74577	0.3
109.07391	0.3
111.08053	0.7
113.02325	3.3
113.09634	2.4
119.03365	1.6
123.08118	0.5
125.02332	2.5
127.07560	0.6
129.09105	3.8
139.11151	0.4
143.03384	1.2
145.30766	0.3
151.11194	0.7
152.99466	0.8
153.12823	0.4
161.04454	2.0
169.12241	1.8
171.10175	0.5
179.05554	1.3
181.12296	3.3
183.13832	1.3
187.09622	0.4
193.12288	1.0
195.13748	0.4
197.11751	5.6
199.13322	2.9
211.13361	10.2
227.13051	0.4
235.08156	3.3
253.09282	1.6
263.07748	0.6
265.21643	1.1
273.16623	0.4
275.20221	1.0
277.21722	22.7
278.22037	1.0
287.07730	1.0
293.21249	7.6
294.21365	0.6
305.08798	1.5
311.22272	100.0
312.22601	5.8
397.13495	35.9
398.13608	1.7
415.14600	12.8
416.15012	0.7
535.99738	0.4
536.79260	0.4
593.26428	0.6
675.35706	1.9
736.24036	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5737
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	2.0
69.49170	1.2
69.49598	0.9
71.01253	15.2
72.99150	1.2
73.02812	2.6
75.00702	0.4
78.95771	3.9
81.03297	0.6
83.01248	1.9
83.04888	0.7
84.02015	0.6
85.02818	11.1
87.00746	3.9
89.02316	13.3
93.03336	0.4
95.01250	1.2
95.04879	0.5
96.95863	0.6
96.96848	0.3
97.02820	3.4
97.06478	2.0
99.00721	0.8
101.02319	11.6
109.02784	0.3
111.04385	0.8
113.01614	0.5
113.02328	6.0
115.03913	0.3
116.92705	0.3
119.03386	3.3
119.08512	0.7
121.02746	0.3
125.02340	4.0
125.05891	0.4
125.09587	1.1
127.11152	0.8
131.03363	0.8
133.04897	0.4
137.09631	2.3
139.03830	0.3
141.01796	0.3
143.03407	1.8
145.04878	0.3
149.04391	0.5
152.99489	5.2
155.10606	0.5
161.04482	2.9
167.03342	0.4
171.00475	1.1
171.10176	23.3
172.10472	0.7
177.12708	0.4
179.05536	3.4
183.13828	5.2
185.04471	0.4
185.11771	0.6
193.12215	0.6
195.13792	0.7
197.11713	0.8
199.13304	0.3
201.11206	1.0
209.11748	0.9
211.13335	8.1
212.13721	0.3
217.06918	0.4
221.06590	1.2
221.11757	1.2
229.14395	4.8
230.14722	0.4
235.08160	4.1
235.10451	0.4
239.12834	1.0
245.04332	3.1
245.06671	0.5
251.16435	0.6
253.09308	1.2
253.21629	1.6
263.07706	0.6
269.17548	0.6
277.09161	0.4
277.21713	30.1
278.22052	2.0
287.07724	1.2
289.17761	0.3
291.19666	3.1
293.21292	0.7
295.22632	1.3
305.08719	1.6
309.20715	9.7
310.21152	0.7
311.22226	0.5
323.09729	0.9
327.21753	100.0
328.18399	0.5
328.22137	8.1
328.26007	0.5
351.21735	0.6
379.12497	0.7
397.13507	46.3
398.13739	2.8
415.14584	16.6
416.14841	0.9
481.25729	10.6
482.26215	1.0
539.70233	0.3
587.43219	1.4
617.90863	0.3
675.35986	2.7
676.36432	0.6
707.35052	4.5
708.35632	0.6
725.35974	2.8
726.35938	0.5
742.18774	0.3
781.40820	0.3
886.26575	0.4
985.54688	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5731
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03328	0.5
69.67088	0.4
69.67495	0.9
71.01257	3.1
71.04896	1.5
72.99152	0.2
73.02805	0.5
81.03327	0.3
83.04876	0.5
85.02824	0.8
85.06458	0.4
87.00753	0.5
87.04378	0.8
89.02316	2.0
93.06974	0.2
95.01251	0.3
95.04885	0.2
97.02811	0.3
97.06456	0.5
99.00735	0.3
99.08035	0.7
101.02320	1.7
109.06475	0.7
111.04408	0.2
111.08045	1.2
113.02341	1.1
113.05949	0.3
113.09589	0.4
119.03391	0.6
121.02831	0.2
121.10117	0.3
123.08030	0.2
125.02321	0.7
125.09626	0.4
127.03829	0.2
127.11184	0.9
129.09093	0.3
129.32457	0.2
135.11671	0.6
137.05902	0.2
137.09592	0.3
139.11230	0.2
141.09088	0.3
143.03427	0.3
149.13268	0.5
151.03914	0.4
151.07515	0.7
151.11212	0.6
152.08319	0.3
153.09145	0.2
153.12750	2.1
155.10674	0.5
161.04446	0.4
163.11276	0.2
165.12791	0.4
167.10747	0.9
169.12262	0.4
179.05533	0.4
179.10603	0.3
179.14325	1.1
181.12256	1.8
182.12581	0.2
189.16434	0.4
193.15947	0.7
197.11752	1.5
199.13353	0.5
203.14458	0.2
205.15938	0.4
207.13770	0.8
209.11766	0.4
209.15405	0.9
215.12859	0.8
217.16103	0.2
227.12865	0.5
228.13585	0.4
235.08232	0.9
237.22061	0.2
241.14256	0.2
245.19104	0.7
247.20641	2.0
251.16533	1.2
253.09399	0.3
263.20102	1.3
265.18396	0.2
265.21664	0.5
273.18616	1.3
277.21722	5.2
278.21936	0.8
279.06622	0.2
281.21259	0.9
287.07639	0.3
289.18045	0.2
291.19669	15.3
292.20056	1.2
305.08807	0.5
307.19183	0.7
308.19293	0.5
309.20697	100.0
310.21066	5.5
397.13470	9.0
398.14047	0.8
399.14047	0.2
415.14581	3.3
416.14948	0.3
454.82101	0.2
675.35437	0.3
722.50818	0.2
785.56903	0.2
880.82855	0.2
910.11206	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5592
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03307	1.6
69.57145	4.4
71.01253	16.8
72.51263	0.6
72.99159	1.1
73.02837	2.8
75.47580	0.6
78.95768	0.7
79.97382	0.5
81.03320	1.0
83.01222	2.1
83.04866	1.4
85.02817	3.4
87.00741	3.6
89.02315	14.7
95.01244	1.2
95.04887	0.9
96.95362	0.7
96.95899	7.4
97.02821	5.0
97.06438	0.8
99.00742	1.0
101.01701	0.8
101.02322	12.5
103.96225	0.5
109.06483	1.1
111.00719	0.6
111.08040	5.6
113.02321	5.7
119.03402	3.5
125.02345	5.6
125.09566	0.8
127.13317	0.5
127.73128	0.5
131.03397	0.8
134.12363	0.7
137.09593	1.1
143.03378	2.0
145.04909	0.7
153.12680	0.6
158.34097	0.5
161.04478	3.0
163.11165	1.2
165.12741	1.4
167.10692	0.6
169.12234	2.0
171.10178	4.2
177.12741	0.8
179.05560	4.7
179.10616	0.6
179.14320	1.0
181.12253	1.5
183.01164	2.0
183.13802	1.3
193.12288	0.8
195.13826	8.7
197.02696	4.8
197.11769	22.2
198.03212	1.0
199.13306	1.1
205.12206	1.0
209.11682	0.9
211.13316	6.3
221.06725	1.6
221.15532	0.9
223.13342	6.8
223.16740	0.6
225.11217	1.0
227.12808	1.3
233.15518	1.0
235.08197	4.2
247.20741	1.5
251.16364	0.7
253.09250	1.8
256.12955	1.0
263.20169	1.5
273.18631	1.0
275.20166	5.7
276.20602	0.7
277.21616	1.3
291.19647	24.5
292.19992	1.3
293.21222	98.4
294.21576	5.9
299.71295	0.6
305.08734	1.2
309.20703	100.0
310.21027	5.6
311.16980	2.0
323.09827	0.8
325.18408	7.9
326.18793	2.4
351.22192	0.7
356.50128	0.6
379.12518	2.1
397.13477	30.8
398.14084	1.6
415.14551	22.0
416.15076	1.4
448.01651	0.6
585.41333	2.9
654.10785	0.7
673.33917	0.9
689.33636	2.7
691.35693	2.0
707.34778	4.3
816.18274	0.7
909.67322	0.8
983.54120	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	982.5437
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31540	1.4
69.31955	3.5
78.95776	22.2
91.34391	0.5
96.96821	1.5
98.19769	0.9
116.99314	0.5
145.29965	0.6
150.97919	0.5
152.99487	33.3
154.41176	0.5
171.00572	1.0
227.03166	2.8
245.04311	1.2
259.20697	0.6
277.21707	72.0
278.22086	5.3
279.23306	4.6
280.23627	1.2
354.40073	0.5
365.77713	0.5
445.23798	0.8
475.55759	0.6
476.27798	1.9
477.28159	0.8
492.65271	0.6
505.25720	100.0
506.26053	7.9
527.28680	1.1
528.28986	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	982.5875
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01247	1.6
71.57749	0.5
72.99179	0.4
75.00733	1.5
78.95777	17.5
79.26834	0.4
85.02813	2.0
87.00753	0.7
88.59886	0.4
99.00771	0.8
113.02326	2.7
121.99989	0.9
134.94881	0.4
140.01071	4.5
140.43793	0.4
152.99501	2.1
196.03731	7.8
214.04814	1.5
217.94830	0.4
249.06090	0.5
255.23271	100.0
256.23615	5.1
267.07275	0.5
272.54376	0.4
279.23276	9.2
340.88821	0.4
368.43372	0.4
382.73221	0.4
452.27820	78.7
453.28036	4.3
507.27289	0.8
529.30206	16.4
530.30621	1.8
757.60419	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5583
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99741	0.3
69.03309	1.4
69.68092	1.6
69.68501	0.6
71.01252	15.6
72.99188	0.8
73.02810	2.4
75.00748	0.4
78.95757	0.3
81.03345	0.9
83.01251	1.5
83.04909	0.8
84.05265	0.3
85.02820	3.6
87.00749	3.1
89.02313	13.9
91.03885	0.4
95.01249	1.3
95.04886	0.6
96.95892	0.6
97.02827	3.9
97.06475	0.6
99.00771	0.8
101.02316	11.7
109.06471	0.8
111.00741	0.3
111.08032	6.6
113.02325	6.8
115.93653	0.3
118.97112	0.3
119.03387	3.4
123.08005	0.4
125.02327	4.5
125.09649	0.9
127.07504	0.3
131.03401	0.5
137.09669	0.8
139.03874	0.3
140.16824	0.3
143.03386	2.0
149.04486	0.4
150.61607	0.3
151.11180	0.5
153.12718	0.5
161.04453	3.2
163.11208	0.7
165.12679	1.6
167.10695	0.3
169.12270	2.6
171.10164	2.2
177.12793	0.3
179.05547	4.4
179.10695	0.5
179.14337	0.7
181.12300	1.5
183.13794	1.1
193.12248	0.6
193.15981	0.3
195.13821	6.4
195.15547	0.5
196.14380	0.4
197.02779	0.3
197.11760	32.1
198.12080	1.2
199.13316	1.5
199.73286	0.3
205.12172	0.7
205.15904	0.4
209.11728	1.0
211.13327	5.9
217.07239	0.4
221.06625	1.8
223.13348	5.5
225.14859	0.5
227.12872	1.6
228.13669	0.8
229.19815	0.3
230.11519	0.3
231.21109	0.5
235.08171	3.5
247.20622	1.3
251.16481	0.4
253.09163	1.6
256.13113	1.4
263.07700	0.6
263.20209	1.7
265.18112	0.6
273.18573	1.2
275.20175	6.0
276.20435	0.4
277.21628	1.1
287.07639	0.9
289.18018	0.8
291.19647	19.0
292.19955	1.2
293.21210	100.0
294.21478	5.9
305.08688	1.1
307.19290	0.4
309.20691	73.7
310.21014	4.6
317.21301	0.5
323.09827	0.7
333.20734	0.4
351.21765	0.4
366.11667	0.3
379.12332	2.1
382.98282	0.3
397.13470	33.0
398.13687	1.7
415.14542	18.0
416.15057	0.8
577.24664	0.3
585.41553	2.7
586.41681	0.4
595.25867	0.5
670.79102	0.3
673.34296	1.0
689.33704	2.2
691.35608	2.9
707.34680	3.0
708.35144	0.4
794.01569	0.3
867.92346	0.3
983.55304	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.579
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03328	1.5
71.01250	1.3
80.96410	0.4
81.03323	0.4
83.04885	1.0
84.02039	4.7
85.02833	1.7
87.00777	0.4
89.02326	0.4
93.03378	0.4
93.74963	0.3
93.82016	0.3
96.95884	2.4
97.02821	1.3
97.06462	5.1
99.04391	1.4
101.02303	0.8
105.01833	0.5
109.06446	0.3
111.00753	0.5
113.02376	0.3
118.58547	0.3
118.97655	0.4
119.08582	0.5
121.02772	0.4
125.09619	1.7
135.08067	0.5
137.09596	1.1
149.13254	0.3
151.11177	0.6
165.12772	0.6
169.12230	0.4
171.10181	15.6
173.10291	0.4
177.12822	0.5
183.13777	2.2
185.11705	0.4
193.12262	8.6
194.12625	0.6
197.02675	1.8
197.11696	0.6
197.15338	0.5
198.00743	0.3
198.03148	0.3
209.11740	1.4
211.13330	4.5
215.14433	0.4
219.60043	0.4
221.11716	0.7
225.14899	12.8
225.50903	0.3
226.15111	0.4
230.02510	0.6
233.15414	1.4
235.08249	0.4
243.13733	0.5
243.15988	5.6
249.15067	0.4
253.14374	0.7
255.10501	0.5
273.18378	0.4
283.08331	0.4
291.19528	1.6
309.20633	0.6
322.20316	0.4
325.20343	0.6
341.18066	9.3
341.23288	100.0
342.18265	1.0
342.23611	5.5
385.23859	0.8
403.24689	1.7
621.32788	8.5
622.33960	0.7
639.33948	4.8
762.00360	0.4
825.87250	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.5426
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	1.1
71.01251	14.6
71.04876	1.5
71.58065	0.3
72.99171	1.3
73.02815	2.0
75.00730	0.4
78.95780	0.4
80.02534	0.6
81.03320	1.1
83.01252	1.5
83.04890	0.8
85.02814	3.8
87.00754	3.1
88.77811	0.2
89.02315	12.3
95.01236	1.4
95.04885	1.4
96.95875	1.1
97.02834	2.0
97.04917	0.2
97.06446	0.7
98.03596	0.6
99.00754	1.1
99.39397	0.2
101.02320	11.1
101.02989	0.5
106.04111	0.6
107.04888	0.3
109.02804	0.4
109.06466	6.5
110.06844	0.2
111.00746	0.4
111.04389	2.6
111.08037	1.3
113.02328	5.6
115.03869	0.2
119.03374	3.3
121.02887	0.3
121.06490	0.4
123.08046	1.1
125.02341	3.9
125.05933	0.2
125.09610	0.3
127.07522	1.0
131.03322	0.6
135.08029	0.7
137.06058	0.4
137.09570	0.7
139.03888	0.4
141.01840	0.5
143.03426	2.2
143.10646	0.7
145.04947	0.2
145.06477	1.4
149.04431	0.4
149.09624	1.1
151.11169	0.7
153.09055	0.2
159.08075	0.3
161.04462	2.8
163.11201	0.5
167.10683	1.8
171.10146	0.8
174.00981	0.2
177.12813	0.5
179.05531	4.5
179.10661	0.9
179.14285	0.8
180.05763	0.2
181.12256	0.8
183.01123	2.7
184.01892	0.5
191.14330	0.3
195.13837	7.1
196.14349	0.6
197.02463	0.2
205.12239	0.7
205.15854	0.3
209.11794	0.2
211.13405	0.5
216.00914	0.3
217.15956	0.3
221.06601	1.3
223.13345	4.7
224.13693	0.4
225.14897	0.5
228.13609	0.6
231.21104	0.3
233.15538	0.3
235.08194	4.0
235.13249	0.7
245.19046	3.7
249.14680	0.3
251.16702	0.4
253.09177	1.0
256.13089	1.4
261.18542	0.5
265.21829	0.5
271.17072	1.1
273.14957	0.4
275.20111	4.4
275.22879	0.4
276.20410	0.5
287.07767	1.2
287.16483	1.5
288.08093	0.2
289.18079	83.0
290.18439	6.2
291.19714	0.8
293.21207	100.0
294.21533	7.9
294.24084	0.2
297.15283	10.7
298.15591	0.7
305.08789	1.0
307.19110	5.2
308.19595	0.4
309.20847	0.5
311.16840	0.3
317.20944	0.5
323.09790	0.9
325.18375	0.5
331.19281	0.3
351.24203	0.2
379.12549	2.2
397.13483	33.5
398.13925	2.5
415.14545	13.3
416.14874	0.7
476.28220	0.3
523.19574	0.2
539.26202	0.2
565.39270	0.4
592.23151	0.2
654.27576	0.2
669.31268	1.1
673.34741	0.8
687.32269	3.7
688.32764	0.9
691.35358	1.5
912.48004	0.3
963.53394	0.3
982.56110	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.5271
Annotation	Unknow
Peak:m/z	Relative Intensity
68.03800	0.3
71.01273	0.3
71.13233	0.5
78.95778	16.0
83.04890	0.3
92.75323	0.3
94.61723	0.3
96.96836	1.0
122.15466	0.3
127.07539	0.4
138.20454	0.3
148.91565	0.3
152.99496	21.9
153.99780	0.3
154.45808	0.3
166.94746	0.3
171.00580	1.5
227.03212	2.9
233.22729	0.6
245.04236	1.7
259.20789	0.7
265.21707	0.4
277.21719	100.0
278.22049	5.8
289.89417	0.3
474.26270	2.0
475.26636	0.8
492.09024	0.4
505.25732	93.9
506.25986	5.9
606.82813	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.5275
Annotation	Unknow
Peak:m/z	Relative Intensity
71.28705	0.8
78.95779	10.8
96.96857	1.2
152.99493	17.1
171.00557	1.3
184.44917	0.4
227.03218	2.9
245.04323	1.8
275.20267	0.6
277.21725	100.0
278.22076	5.4
318.54718	0.4
474.26141	1.6
505.25732	88.6
506.26013	5.5
923.09381	0.4
946.44904	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.5426
Annotation	Unknow
Peak:m/z	Relative Intensity
68.55641	0.4
68.99666	0.4
69.03329	2.1
69.72792	2.4
71.01251	17.2
72.99161	1.6
73.02811	1.8
76.30684	0.5
77.74213	0.4
79.95604	0.6
81.03323	1.9
83.01265	2.3
83.04893	1.6
83.05379	0.4
85.02819	3.3
87.00762	4.1
87.49682	0.4
89.02319	11.7
93.03341	0.5
95.01271	1.6
95.04906	0.9
96.95890	11.2
97.02833	3.6
97.06458	3.1
99.00749	0.9
99.04411	0.5
101.01688	0.9
101.02322	10.9
109.02824	0.6
109.06458	1.0
111.00747	0.6
111.04340	0.6
111.08023	0.8
113.02325	7.7
113.05976	0.5
119.03397	4.0
121.06487	0.7
121.10029	0.4
123.04388	1.8
123.08038	1.6
125.02352	4.8
125.05982	0.5
125.09615	2.5
131.03380	1.0
135.08052	0.9
137.05989	0.5
137.09636	2.5
139.03851	0.6
141.01903	0.6
141.12712	0.6
142.02615	0.7
143.03426	2.0
149.09560	0.6
151.11159	0.8
155.24689	0.4
161.04457	3.0
161.09636	0.7
163.07501	0.6
163.11194	3.5
165.12766	1.0
167.10728	0.6
171.10117	0.5
177.12820	1.0
179.05574	3.1
179.14301	0.6
181.12213	1.1
183.01129	0.6
185.11722	3.0
191.10750	0.6
191.14316	5.3
195.13815	7.2
196.14409	0.5
197.11618	0.6
205.12354	1.0
207.10213	2.5
209.11763	10.8
211.13321	2.1
217.15932	0.7
221.06639	1.6
223.13339	5.7
224.13933	0.5
225.11273	1.9
227.12810	0.7
228.13559	0.6
235.08171	4.2
237.11343	2.5
245.16734	0.5
245.19090	9.4
246.19464	0.8
247.17209	0.5
253.09206	1.5
256.13165	1.5
263.20163	3.0
271.16989	1.4
275.20145	3.9
277.21689	0.6
281.21173	0.9
287.07748	1.1
287.16370	0.5
289.18094	46.4
290.18472	3.4
291.19678	1.9
293.21219	100.0
294.21506	6.5
305.08817	0.9
305.17657	0.7
307.19141	47.7
308.19510	3.5
309.20642	1.7
317.21442	0.5
323.09848	0.8
325.17966	2.2
331.19305	0.5
339.19913	0.9
379.12579	1.9
390.18106	0.5
397.13492	33.5
398.13818	1.8
415.14569	15.2
416.14792	1.2
422.45996	0.4
481.26257	0.5
543.00110	0.5
583.40045	0.6
607.26373	0.8
687.32129	2.3
691.35236	0.7
705.33002	3.0
883.47339	1.0
981.54156	3.3
996.87427	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	978.6063
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42950	0.7
69.43372	1.1
72.10418	0.2
76.58919	0.2
78.95778	8.8
86.71778	0.2
95.79959	0.2
96.96850	0.5
107.73196	0.2
125.99310	0.2
152.99489	14.4
171.00551	1.2
171.41858	0.2
227.03201	2.7
241.13229	0.2
245.04384	1.0
255.23268	100.0
256.23608	4.6
415.53964	0.2
483.27289	68.7
484.27600	3.6
484.33954	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.5666
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	0.1
79.95551	0.5
96.95873	0.1
119.04888	0.1
133.06483	0.1
170.00362	0.3
183.01131	8.0
184.01869	1.1
197.02701	18.7
198.03403	2.0
199.03856	0.1
209.11765	0.1
211.04291	0.6
212.04982	0.2
216.00885	0.8
217.87505	0.1
225.05954	0.3
230.02492	3.1
230.67706	0.1
231.02934	0.1
235.48056	0.1
239.07402	0.3
244.03996	0.2
253.09071	0.3
258.05386	0.1
261.22235	0.1
267.10522	0.3
277.21808	0.1
281.12143	0.2
287.29294	0.1
293.20694	0.1
295.13705	0.1
325.18402	100.0
326.18729	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	979.6577
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	1.3
69.24855	1.7
71.01251	23.2
71.15136	1.5
71.15462	2.7
72.99182	2.1
73.02822	4.4
78.95783	2.5
79.60102	1.3
81.03271	1.5
82.01438	1.4
83.01241	3.1
85.02821	5.3
87.00752	3.9
89.02316	18.7
92.06496	1.3
97.02852	1.6
101.02330	20.5
106.29888	1.4
113.02314	8.8
119.03378	6.1
125.02367	9.8
141.12794	2.3
143.03397	3.0
151.79370	1.5
161.04477	3.0
179.05530	3.5
221.06555	2.3
235.08145	10.2
253.09221	2.6
270.21939	1.6
279.23340	2.7
283.26425	59.6
284.26550	2.6
287.07889	2.2
295.22778	24.4
296.23102	17.0
297.15329	3.1
297.24316	36.9
305.08667	3.5
397.13498	100.0
398.13730	4.3
415.14560	29.3
590.77948	1.7
609.26117	1.6
681.40820	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	977.6171
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03318	0.4
71.01260	0.6
79.10857	0.3
89.02289	0.4
96.95869	0.4
111.08021	0.3
113.02297	0.4
122.50579	0.3
125.06354	0.3
161.04567	0.5
171.10179	18.8
172.10570	0.4
177.12839	0.4
179.14371	0.5
183.01146	0.5
195.13837	7.1
196.14363	0.5
197.02580	0.3
205.12265	0.8
205.15933	0.6
209.11778	0.3
211.13304	0.6
223.13336	5.5
224.13654	0.3
228.13637	0.8
231.21094	0.5
235.08212	1.1
235.16913	0.3
253.09279	2.5
256.13199	0.9
265.21774	0.5
275.20151	5.7
276.20322	0.5
293.21216	100.0
294.21555	5.8
297.15314	1.1
311.16901	1.4
312.17279	0.3
325.18604	0.4
330.05655	0.7
349.75208	0.3
367.13641	0.7
407.19174	1.6
447.31418	0.3
490.20380	0.3
529.30237	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.6423
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99191	0.4
78.95811	0.3
80.87052	0.3
83.04881	0.3
94.62270	0.3
97.06480	0.4
109.06491	0.5
116.46423	0.3
127.11167	0.9
141.12747	6.6
142.13034	0.3
155.14308	3.0
173.26846	0.3
177.08981	0.3
228.72128	0.3
230.21675	0.3
230.23833	0.4
231.21289	0.4
235.73387	0.3
249.22227	7.0
250.22658	0.4
270.34586	0.3
277.21613	0.7
283.26450	0.6
293.21118	0.3
295.22784	100.0
296.23141	6.5
397.13568	1.7
527.33276	0.3
823.45007	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.5478
Annotation	Unknow
Peak:m/z	Relative Intensity
70.86194	3.9
70.86516	3.7
71.01273	2.8
78.95776	65.0
85.24096	2.7
91.33630	2.3
96.95862	4.8
96.96841	5.7
132.81491	2.7
141.01520	2.8
152.98294	5.6
152.99480	76.6
153.99789	4.0
171.00565	13.9
197.02800	2.9
209.11765	7.4
227.03284	5.1
245.04289	72.2
246.04652	9.0
249.61679	2.8
253.21707	27.1
254.22038	9.3
255.23238	6.3
277.21671	6.4
325.18439	5.9
339.19949	4.7
397.13379	3.2
411.50653	3.3
481.25714	100.0
482.26074	62.7
483.26672	4.1
785.17816	2.8
977.50818	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	977.5477
Annotation	Unknow
Peak:m/z	Relative Intensity
70.44933	7.1
70.45340	5.8
75.61097	3.0
78.95351	5.6
78.95776	49.9
83.76699	3.3
94.94930	3.2
96.95888	12.4
96.96812	6.8
98.20449	4.4
101.02350	4.0
106.11098	3.0
141.01534	5.3
152.98302	4.7
152.99493	59.7
153.99849	3.5
171.00552	10.7
182.03062	2.8
182.12646	2.8
192.98445	3.3
199.64847	2.8
209.11783	22.8
227.03142	5.3
245.04269	57.8
246.04674	6.6
253.21681	27.9
254.22064	9.4
255.23120	8.8
269.70667	3.2
277.21698	11.8
325.18570	6.4
326.11829	3.3
339.19873	7.4
397.13327	10.3
481.25726	100.0
482.19681	6.0
482.26025	69.0
483.27209	7.5
520.81024	3.3
618.51703	4.0
775.11194	3.4
893.62305	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	976.5893
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95773	30.6
80.96401	0.3
84.13416	0.2
96.95895	0.3
96.96843	2.2
116.61726	0.2
124.02736	0.2
128.82664	0.2
150.97952	0.7
152.99487	43.5
153.99786	0.4
171.00552	10.1
175.76450	0.2
209.11845	0.2
227.03194	2.6
241.50482	0.2
245.04283	39.5
246.04633	0.6
253.21700	18.1
254.22014	0.8
325.18500	0.2
383.10599	0.2
481.25696	100.0
482.26056	7.5
890.04388	0.2
976.52460	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57961	0.8
74.39880	0.5
78.95776	28.4
121.99998	0.7
140.01086	6.0
152.99545	2.9
165.87669	0.5
196.03729	10.9
214.04735	2.5
231.62955	0.5
279.23288	100.0
280.23596	5.5
406.90482	0.6
476.27820	85.6
477.28244	5.7
713.30884	0.6
975.54309	4.2
976.52429	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.6185
Annotation	Unknow
Peak:m/z	Relative Intensity
70.41102	0.1
70.41460	0.3
76.07413	0.1
89.03854	0.3
93.03354	0.1
103.05420	0.2
117.03384	0.1
119.04930	0.1
130.04160	1.3
131.04929	7.6
132.05267	0.1
149.05969	0.3
155.04968	0.1
167.04962	0.1
170.03641	0.2
204.05888	0.1
205.06660	0.1
215.08629	0.5
216.09358	0.1
217.06599	0.3
218.07323	0.2
231.08098	1.5
232.08730	0.1
233.06073	0.1
233.09706	1.0
235.07549	0.4
241.06549	0.5
242.04849	0.1
242.07341	3.3
243.08118	13.1
244.08424	0.7
247.07480	0.2
249.09227	0.5
250.09975	0.7
251.10680	0.2
259.07608	0.3
260.08398	0.4
261.09192	8.4
262.09598	0.4
263.06934	0.5
267.10287	0.2
275.07135	0.4
277.08676	0.2
278.09360	0.2
279.10272	9.0
280.10651	0.6
287.06900	0.1
293.08279	0.5
297.11319	100.0
298.11664	4.6
323.09244	0.2
327.49695	0.1
338.55658	0.1
784.36377	0.1
941.24878	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	975.5455
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01266	5.0
71.57899	0.7
72.99171	1.1
75.00735	4.1
78.95309	1.1
78.95779	20.9
83.04874	0.8
85.02422	0.6
85.02836	6.4
87.00751	1.8
89.02312	1.3
95.01243	1.2
99.00761	3.0
103.00249	0.7
104.97363	1.1
110.98418	12.1
113.02341	4.9
117.01802	0.5
118.82019	0.6
134.11897	0.4
136.08643	0.5
152.99458	1.5
167.01077	13.0
175.02396	1.0
185.02101	3.7
187.50139	0.5
220.10927	0.5
249.06140	1.3
255.23311	1.4
259.20587	0.7
267.07205	0.8
277.21729	100.0
278.22104	5.8
279.23312	15.2
280.23529	1.5
281.24878	1.1
445.23621	78.2
446.23962	5.0
522.31763	0.8
529.30225	41.6
530.30737	3.2
532.72174	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.6264
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58006	0.2
78.95776	6.4
96.93536	0.1
120.47855	0.1
122.00038	0.2
140.01074	2.2
152.99484	1.0
171.00542	0.2
178.12361	0.1
196.03741	1.4
214.04810	2.8
255.23212	1.2
281.24847	100.0
282.25189	5.5
410.11832	0.2
452.27896	1.0
478.29391	42.8
479.29721	3.0
682.19849	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.5291
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01256	5.8
71.34793	1.8
72.99173	1.2
75.00738	3.9
78.95775	11.3
82.84701	0.7
84.74683	0.6
85.02825	6.9
87.00778	1.9
89.02293	0.9
99.00757	2.3
110.98416	5.6
113.02334	5.7
148.73235	0.7
161.86244	0.7
162.93217	0.7
167.01109	2.2
175.02440	0.9
185.02126	3.3
244.76053	0.8
267.07089	1.2
277.21716	100.0
278.22089	7.6
281.71985	0.8
445.23602	37.1
446.23523	3.4
527.28613	26.1
528.29144	3.1
612.04822	0.8
719.66492	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.6112
Annotation	Unknow
Peak:m/z	Relative Intensity
68.10287	0.7
69.03336	1.6
71.01256	20.8
71.57919	0.7
71.58298	1.1
71.75182	0.8
72.39526	0.7
72.99190	2.0
73.02836	3.8
76.18002	0.8
78.95782	2.4
81.03331	1.9
83.01272	3.4
85.02834	6.1
87.00745	5.0
87.89902	0.9
89.02325	18.9
95.01257	1.3
97.02847	3.7
101.02326	19.1
111.04395	1.1
113.02335	9.1
113.09607	12.0
115.44133	0.8
119.03403	5.9
121.40057	0.8
125.02351	7.8
131.03392	1.1
139.11183	1.3
143.03392	3.2
149.04373	1.0
149.09599	0.8
152.99493	2.0
161.04492	5.0
179.05565	4.6
179.10710	1.4
191.64758	0.7
221.06610	1.9
235.08165	10.7
249.22256	1.2
253.09335	2.7
263.07791	1.0
275.20276	1.0
277.09283	0.8
281.24857	65.4
282.25259	4.0
287.07770	3.2
293.21228	62.6
294.21539	4.8
305.08817	4.2
379.12274	0.9
397.13507	100.0
398.13965	5.3
415.14597	29.9
416.15097	0.9
679.39001	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	973.5299
Annotation	Unknow
Peak:m/z	Relative Intensity
70.45500	0.5
71.01261	3.2
71.34708	1.3
72.99162	1.1
73.34381	0.6
75.00755	2.8
76.02861	0.6
76.16750	0.5
76.88879	0.6
77.95013	0.5
78.95776	6.7
85.02820	3.2
87.00714	1.1
99.00757	1.1
107.12017	0.6
110.98412	3.8
113.02336	3.5
121.02838	0.7
124.34436	0.5
152.99500	0.7
167.01051	2.0
185.00688	0.7
185.02142	4.1
199.03371	0.6
249.06093	2.6
251.37183	0.5
258.75745	0.5
259.20612	0.7
267.06909	0.6
268.63422	0.5
277.21722	100.0
278.22064	7.7
286.95789	0.9
445.23615	41.0
446.23987	2.7
459.10522	0.7
509.27191	1.0
527.28625	34.6
528.28906	3.1
808.24103	0.6
941.17963	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5945
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03309	1.4
70.15398	7.1
71.01257	19.9
72.99200	1.8
73.02835	3.5
73.91814	1.4
78.95754	2.6
83.01271	3.2
85.02831	4.5
87.00748	5.1
89.02326	19.0
97.02824	3.3
101.02323	17.1
113.02341	8.8
114.22695	1.5
115.64968	1.7
119.03399	4.5
125.02329	8.7
131.03435	1.6
143.03409	3.9
152.99486	4.3
161.04466	5.8
162.83180	1.4
171.10220	3.0
179.05493	2.2
195.13853	6.2
221.06671	2.2
223.13318	5.4
235.08125	8.1
253.09271	1.7
275.20316	7.0
279.23285	63.5
280.23746	4.1
287.07660	3.5
293.21228	85.3
294.21600	3.3
305.08652	4.3
364.81204	1.9
397.13510	100.0
398.13898	3.2
415.14594	33.5
677.37524	3.6
779.11749	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	973.5194
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58390	0.1
76.03046	0.1
79.95639	0.5
87.00735	0.2
96.95876	0.3
116.92746	0.3
119.04942	0.1
125.38477	0.1
165.12727	0.1
170.00366	0.4
183.01132	11.5
184.01889	1.4
197.02702	12.0
198.03474	2.5
211.04291	0.2
212.05026	0.1
216.00929	1.4
225.05737	0.1
230.02490	3.9
231.02698	0.1
233.19075	0.2
239.07381	0.1
244.04092	0.1
253.09128	0.2
289.18494	0.1
291.19705	0.3
297.15283	100.0
298.15591	5.3
389.46536	0.1
397.13510	0.1
572.27148	0.1
973.50897	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	973.52
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01267	0.4
74.18008	0.1
78.95741	0.1
79.95146	0.1
79.95634	0.6
83.04836	0.1
85.02811	0.1
87.00756	0.1
88.03906	0.6
89.02312	0.3
96.95869	0.2
101.02305	0.2
113.02313	0.2
116.92729	0.1
116.99178	0.1
125.02324	0.2
133.06479	0.1
142.06306	0.1
161.04462	0.1
170.00323	0.1
177.86993	0.1
179.05504	0.1
183.01120	4.8
184.01894	0.8
197.02699	17.6
197.11775	0.2
198.03455	3.1
199.03885	0.1
209.09860	0.1
209.11774	1.7
211.04251	0.6
212.05057	0.2
216.00952	0.7
223.13280	0.2
225.05821	0.2
227.12836	0.3
229.30067	0.1
230.02495	4.9
231.02800	0.2
233.19206	0.1
235.08145	0.1
239.07469	0.1
244.04077	0.3
253.09087	0.2
258.05576	0.1
267.10577	0.2
277.21692	0.9
297.15274	100.0
298.15601	6.5
298.19064	0.1
299.14853	0.4
305.08536	0.1
309.20667	0.3
379.12393	0.3
397.13385	1.0
415.14682	0.1
590.31512	0.1
675.35974	0.1
887.62085	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	971.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52408	3.9
78.95779	36.4
111.48892	0.4
122.00024	1.6
133.00316	0.7
140.01074	8.6
149.23824	0.5
152.99510	3.3
171.98300	0.9
196.03732	12.7
214.04822	3.2
254.31866	0.6
275.20462	0.6
277.21729	100.0
278.22083	4.9
295.06839	0.6
303.20197	0.6
474.26270	97.8
475.26630	7.3
497.16663	0.7
580.82098	0.7
610.99890	0.5
825.33435	0.6
971.51440	3.6
972.53265	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5134
Annotation	Unknow
Peak:m/z	Relative Intensity
73.65249	0.4
78.95776	20.7
96.96834	0.9
111.51433	0.4
122.00006	0.5
126.08928	0.4
140.01109	3.5
150.92146	0.4
152.99481	2.9
171.00549	1.8
171.98276	1.2
196.03711	1.3
214.04825	3.8
233.22595	0.5
259.20624	0.5
275.20203	0.6
277.21716	100.0
278.22018	5.6
329.32632	0.4
474.26239	59.7
475.26782	3.5
491.46445	0.4
497.16885	1.1
686.12695	0.5
971.50616	3.8
972.51416	1.2
981.60229	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.4859
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03325	2.6
70.65480	1.1
70.65852	1.0
71.01254	70.4
72.01582	0.8
72.99180	3.3
73.02818	91.4
75.00743	1.6
76.88467	0.5
81.03341	1.5
83.01257	31.6
85.02824	11.8
87.00758	2.4
89.02312	18.5
95.01250	3.6
96.95883	0.7
97.02827	2.1
98.51481	0.5
99.00779	1.5
101.02322	100.0
102.02655	1.5
111.00742	0.8
113.02332	34.2
114.02699	0.6
116.92776	0.6
117.01778	0.7
119.03389	13.6
125.02330	3.4
129.01823	0.6
131.03395	10.0
143.03398	12.9
145.21199	0.5
147.02904	1.3
149.04459	24.1
155.03407	3.2
161.04460	44.4
162.04840	0.9
179.05505	2.4
182.19754	0.5
190.48372	0.5
196.65887	0.5
201.11296	1.1
203.05505	5.1
221.06615	13.6
309.20850	0.9
441.24930	2.9
859.81366	0.5
958.57489	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.4859
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03329	1.5
69.29160	13.1
71.01252	100.0
72.99179	5.5
73.02819	28.2
73.80382	1.1
75.00748	2.5
83.01251	12.8
85.02820	51.3
86.84280	1.3
87.00756	4.8
89.02316	30.3
95.01264	8.6
96.95884	5.0
97.02816	3.6
97.06461	2.0
99.00751	9.0
101.02320	53.4
102.02739	1.4
111.00759	2.2
113.02329	47.3
119.03387	12.9
125.02340	3.0
129.01823	3.7
131.03387	2.8
143.03377	5.5
149.04387	2.0
159.02908	4.5
161.04459	31.6
179.05551	9.6
191.01982	6.6
203.05586	1.6
209.02924	2.3
239.59222	1.4
327.21497	1.6
361.14600	1.2
381.22821	16.5
382.23154	1.7
399.23868	43.4
400.24136	3.0
441.24902	59.4
442.25189	5.4
647.36969	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	968.6001
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58084	0.3
71.58448	0.2
73.51081	0.2
78.95781	7.3
85.31096	0.2
96.96858	0.2
98.53950	0.2
110.98417	3.4
112.67481	0.2
152.99493	4.7
153.99860	0.2
167.01068	1.4
171.00601	0.2
185.02129	3.4
217.43690	0.3
227.03172	0.5
255.23273	16.7
256.23642	9.0
257.23868	0.4
259.27460	0.2
261.22098	0.3
279.23288	100.0
280.23639	6.2
281.24951	0.3
374.56552	0.2
447.25168	42.9
448.25497	3.3
452.27573	0.5
483.20319	0.5
483.27319	8.7
484.27606	9.1
485.28006	0.6
731.97827	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.6306
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58194	0.7
77.79430	0.4
82.01194	0.5
134.76355	0.4
162.66580	0.5
164.69002	0.5
185.10207	0.4
221.18945	0.6
223.20682	2.9
225.22189	43.3
226.22527	2.1
253.21738	1.3
271.22787	100.0
272.23071	5.0
335.36490	0.5
714.41046	0.5
755.20721	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5631
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01736	0.2
68.99687	0.4
69.03329	1.5
70.01405	0.9
70.20023	0.2
70.93782	0.2
71.01252	23.6
72.99189	1.8
73.02814	3.5
74.70531	0.2
75.00737	0.7
80.96352	0.2
81.03340	1.1
83.01254	2.6
83.04891	0.5
85.02821	5.4
87.00748	5.0
89.02315	20.6
91.03866	0.5
93.03363	0.2
95.01261	1.9
95.04900	0.4
96.95885	0.6
97.02834	4.0
97.06483	0.3
99.00750	1.6
101.02319	19.1
102.02647	0.2
103.03889	0.3
109.02781	0.4
111.00777	0.5
111.04396	0.6
113.02327	9.7
115.03893	0.3
119.03385	5.3
119.04836	0.2
123.47621	0.2
124.01543	0.3
124.93708	0.2
125.02338	8.7
127.03880	0.4
129.01785	0.3
131.03400	1.1
133.04909	0.9
137.02293	0.2
138.02705	0.2
139.03868	0.6
141.01875	0.5
143.03392	4.0
145.04930	0.2
148.08875	0.4
149.04459	0.4
150.10400	0.5
161.02422	0.2
161.04462	5.9
163.11200	0.5
165.12761	9.5
166.13150	0.3
167.03362	0.6
169.04984	0.3
169.48961	0.2
176.11942	0.3
179.05540	4.4
185.04474	0.4
199.06084	0.3
203.05547	0.4
217.07103	0.5
221.06548	1.6
233.22670	0.4
235.08194	9.9
236.08388	0.3
245.06642	0.6
247.20633	4.5
253.09286	2.8
259.20477	0.2
263.07666	0.9
273.18542	2.2
275.20111	0.3
277.21710	58.6
278.22049	4.1
287.07700	3.0
291.19656	30.9
292.20093	1.7
297.15283	0.4
305.08786	4.2
323.09784	1.2
342.50186	0.2
361.11130	0.5
379.12399	0.6
397.13486	100.0
398.13812	4.3
415.14563	33.2
416.14841	1.6
675.35925	4.1
676.36395	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5814
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03329	3.5
71.57431	1.1
78.95800	3.9
81.26308	0.8
85.49047	1.0
93.03324	0.9
96.95858	0.9
96.96879	0.9
102.82983	0.8
118.16789	0.8
121.06479	2.1
152.21448	0.8
152.99521	2.3
174.99147	2.1
180.37242	0.9
195.13832	2.2
203.14935	0.8
223.17003	1.7
233.15445	1.7
251.16536	2.5
266.72418	0.9
285.08649	1.0
287.09717	2.0
287.12665	1.5
303.08954	1.1
305.10739	3.5
307.12216	10.3
309.20831	1.4
310.74118	0.9
321.10123	1.8
338.50665	0.8
345.13632	1.4
347.15607	5.9
349.09625	0.9
351.11288	2.6
361.13306	3.7
370.67520	1.1
403.18134	1.3
417.19217	1.0
447.24091	1.2
471.23965	1.5
485.25809	16.3
486.26077	1.0
497.25888	3.8
511.27499	3.2
523.27332	6.8
541.28473	100.0
542.28918	9.8
581.31433	4.6
582.32104	0.9
599.32629	53.2
600.32855	5.8
639.35693	2.5
657.36847	63.5
658.37213	7.7
823.43274	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5629
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03324	2.7
71.01251	21.3
72.99178	1.8
73.02811	3.3
75.00715	0.6
81.03310	1.4
83.01251	2.4
83.04884	1.4
85.02820	5.0
86.13946	0.4
87.00751	5.6
89.02316	16.6
93.03336	0.8
95.01246	1.7
95.04903	0.5
97.02819	8.1
97.03392	0.7
97.06436	1.0
99.00763	1.4
101.01690	0.8
101.02319	14.6
109.06458	1.1
111.04417	1.1
111.08052	3.7
113.02320	8.2
119.03385	4.2
119.08553	0.5
125.02340	6.6
125.09601	0.9
127.07491	0.9
131.03387	0.6
133.04948	0.5
137.09616	2.3
139.03825	0.5
141.01813	0.5
143.03410	3.3
151.03780	0.4
155.73161	0.5
161.04451	4.8
163.11172	0.6
165.12811	1.0
167.10716	1.2
169.12198	1.2
171.10178	6.0
179.05544	3.8
181.12216	0.9
183.13817	1.7
185.11687	0.6
195.13857	3.3
197.11761	13.3
199.13268	0.7
209.11742	0.7
209.15346	0.8
211.13358	2.6
217.06949	0.6
221.06645	1.2
221.15492	1.2
223.13326	0.9
224.13695	0.4
225.14995	1.2
233.15523	1.0
235.08150	6.5
239.12796	0.8
247.20709	1.2
251.16473	1.6
253.09212	1.9
263.07614	0.7
263.20117	0.8
265.18164	0.7
273.18597	1.3
277.21707	52.6
278.22021	3.1
287.07709	1.3
291.19653	24.7
292.20093	1.1
293.21121	0.8
305.08679	1.5
309.20694	100.0
310.21078	5.9
323.09857	1.0
327.21924	0.9
333.20712	0.5
379.12460	3.3
397.13489	46.3
398.13782	2.3
415.14551	13.7
416.14600	0.6
651.30627	0.5
675.36395	0.9
689.33691	1.0
707.34698	1.1
862.04285	0.5
967.54883	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5609
Annotation	Unknow
Peak:m/z	Relative Intensity
67.82434	0.5
69.03320	1.0
71.01255	8.2
71.56772	0.6
72.99177	0.9
73.02798	0.9
78.95776	7.0
79.08555	0.5
79.95607	0.7
83.01251	1.2
85.02842	1.7
87.00754	1.7
89.02323	6.3
92.67605	0.5
96.95890	10.2
97.02817	1.2
99.00745	0.8
101.02323	6.1
109.06483	0.7
109.79836	0.5
113.02328	4.2
116.92722	0.9
119.03378	2.0
121.10137	0.8
125.02320	3.0
143.03372	1.0
152.99486	12.9
161.04440	1.5
167.49431	0.5
171.00520	0.8
171.10164	1.6
171.42526	0.5
179.05507	2.1
179.14374	0.8
183.13846	5.4
195.13855	5.1
211.13329	1.6
223.13359	2.9
227.03236	1.5
230.20781	0.5
235.08179	2.3
235.17001	2.2
245.04355	1.4
247.38362	0.6
253.09108	0.9
253.21519	0.5
255.23265	48.0
256.23587	4.1
257.24060	0.8
265.21628	0.6
275.20145	8.2
277.21664	2.8
287.07672	1.1
291.19681	1.8
293.21222	100.0
294.21564	6.4
305.08704	1.3
309.20798	4.8
379.12463	1.9
397.13492	21.6
398.13770	1.4
415.14606	9.7
416.14978	1.0
481.25995	1.4
482.26062	1.9
483.27237	44.2
484.27585	5.2
485.27875	1.8
569.42145	1.6
599.12366	0.6
673.34406	2.0
691.35919	2.7
735.40875	0.6
870.38452	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5627
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03322	0.4
71.01248	6.7
71.03324	0.3
72.99162	0.5
73.02812	1.0
81.03323	0.3
83.01252	0.7
85.02808	1.6
87.00754	1.5
89.02312	5.3
95.01253	0.5
95.04894	0.2
97.02824	0.9
99.00727	0.5
101.02317	4.5
109.02805	0.2
111.00732	0.2
111.04331	0.2
111.08034	0.5
113.02319	3.0
113.09608	0.2
119.03398	1.2
120.48403	0.2
125.02328	1.7
131.03409	0.3
139.03848	0.2
141.01784	0.2
143.03395	1.1
149.04446	0.3
161.04448	1.4
166.79967	0.1
167.10664	0.3
171.10194	0.2
179.05518	1.8
179.10707	0.3
179.14330	0.8
181.12183	0.2
185.04488	0.2
195.13823	7.3
196.14516	1.0
205.12215	0.6
205.14017	0.2
205.15912	0.4
207.45866	0.2
211.13271	0.5
221.06581	0.6
223.13322	5.4
224.13698	0.4
225.14850	0.3
228.13634	0.7
231.21133	0.3
235.08157	1.7
249.68321	0.2
253.09225	0.5
255.23296	0.3
256.13141	1.2
263.07770	0.2
265.21832	0.4
275.20117	4.8
276.20364	0.3
287.07788	0.4
293.21198	100.0
294.21521	6.1
305.08755	0.5
317.21188	0.4
323.09814	0.4
331.73654	0.2
379.12244	0.8
397.13446	15.4
398.13727	0.7
415.14526	9.7
416.14932	0.5
483.27362	0.3
569.42023	1.6
570.42163	0.2
654.27277	0.4
673.34430	1.0
691.35461	2.9
692.35736	0.4
862.68799	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5525
Annotation	Unknow
Peak:m/z	Relative Intensity
69.87585	2.3
69.87991	1.1
72.77878	0.6
77.51914	0.7
78.95773	18.4
86.02083	0.6
87.88441	0.6
96.96838	1.7
98.20469	0.8
103.81255	0.6
114.70878	0.7
114.79951	0.6
143.38585	0.6
152.99486	31.0
171.00580	1.1
227.03232	4.0
255.23267	94.0
256.23663	4.3
301.38528	0.8
309.20660	1.0
349.84454	0.7
483.27271	100.0
484.27600	5.8
843.75946	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5528
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57516	1.3
76.36532	0.7
78.95781	20.2
94.66125	0.7
96.96826	1.2
143.74983	0.7
152.99495	30.7
198.90546	0.8
225.25230	0.7
227.03223	3.6
245.04349	1.0
247.83954	0.8
255.23279	98.2
256.23608	3.4
279.23337	1.6
309.20752	0.9
483.27307	100.0
484.27701	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	965.5363
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01261	1.2
78.95774	33.5
79.87972	0.4
85.02853	0.4
89.02306	0.6
96.94087	0.4
96.95872	0.6
96.96844	2.3
97.14024	0.4
98.20567	0.7
101.02320	0.5
102.05476	0.9
116.92737	1.2
150.97964	0.6
152.99484	59.9
153.99835	1.6
154.99902	0.6
164.70357	0.4
165.31422	0.4
171.00546	8.2
171.10324	0.4
207.10237	0.7
209.11702	0.7
225.11441	0.7
227.03229	4.9
245.04282	27.2
246.04584	1.6
247.04736	1.0
253.19254	0.8
253.21704	10.9
254.21996	1.7
255.23259	100.0
256.23599	5.8
277.21655	0.6
291.19659	0.6
307.19089	0.4
325.18402	1.3
397.13223	0.5
481.25699	69.6
482.26071	15.4
483.27173	60.5
484.27597	4.3
965.55597	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	966.6561
Annotation	Unknow
Peak:m/z	Relative Intensity
69.13680	2.2
78.95799	3.3
81.03335	4.8
83.04884	15.4
84.05260	4.6
96.95885	3.8
141.18382	2.3
181.66042	2.6
213.14885	16.2
214.15225	6.8
225.16016	7.7
226.16307	5.3
247.32582	2.1
306.07672	2.3
366.74564	2.5
438.22794	8.1
439.22897	4.6
452.33627	2.9
453.33612	5.1
513.20172	4.5
679.51050	3.2
904.66510	6.0
905.67157	32.7
906.67468	100.0
907.68024	6.3
966.66205	34.5
967.66266	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	967.5541
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01245	1.8
71.49612	0.8
73.70653	0.4
78.95776	11.9
89.02307	1.4
96.96828	1.2
101.01369	0.4
101.02317	1.2
110.66348	0.5
125.02370	0.6
131.15988	0.4
139.29901	0.4
140.10550	0.4
143.03387	0.5
152.99492	19.9
168.77690	0.4
171.00575	1.2
171.10190	0.9
176.34819	0.4
195.13829	2.6
223.13283	1.1
227.03207	3.1
235.08316	0.5
235.47861	0.5
245.04279	0.9
255.23273	100.0
256.13223	0.6
256.23654	3.9
275.20114	1.0
279.23141	0.6
293.21246	26.5
294.21533	1.3
397.13513	4.7
413.76764	0.4
415.14456	1.7
483.27298	90.0
484.27649	5.1
691.35608	0.6
822.62115	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.5771
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57954	1.2
74.92176	0.7
78.95779	18.9
90.70316	0.5
92.78473	0.7
100.85522	0.6
103.54537	0.5
122.00017	0.7
140.01096	5.5
152.99487	2.4
196.03751	8.8
214.04732	1.5
235.20601	1.1
242.39407	0.6
253.21709	100.0
254.22081	4.6
277.21780	1.8
307.92679	0.6
445.23865	1.4
450.26257	82.9
451.26501	5.5
603.36798	0.7
652.91443	0.7
786.29016	0.8
873.80145	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.5368
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	0.7
78.95773	56.0
80.96220	0.4
85.70928	0.4
89.02318	0.7
96.95890	1.1
96.96207	0.5
96.96827	6.0
99.62156	0.4
101.02303	0.8
116.92752	0.9
116.93516	0.4
125.09749	0.5
126.03954	0.5
134.98351	0.5
150.97841	1.1
152.99486	75.9
153.99754	2.1
154.99832	0.8
171.00542	10.5
171.01877	0.8
171.10037	0.5
196.66479	0.5
219.62796	0.4
225.11244	0.7
227.03223	5.6
237.22195	0.5
245.04269	27.2
246.04680	1.8
247.04559	0.6
253.21692	11.9
254.21951	1.5
255.23260	100.0
256.23642	6.7
277.21747	0.7
325.18423	1.1
397.13510	0.5
441.75223	0.6
481.25693	93.9
482.26056	18.2
483.27206	84.9
484.27551	8.2
700.56140	0.5
965.54938	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	964.5682
Annotation	Unknow
Peak:m/z	Relative Intensity
70.50002	1.4
71.01260	0.4
78.95773	6.9
110.98420	4.2
113.75947	0.3
119.17132	0.3
132.60974	0.4
143.64952	0.3
152.99495	1.0
167.01053	1.5
185.02150	4.1
233.22713	0.5
259.20651	0.5
275.20120	0.6
277.21713	100.0
278.22064	5.9
445.23593	46.0
446.24088	2.9
521.70099	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.5682
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01241	0.3
78.95776	6.0
83.04886	0.3
90.15015	0.2
110.98409	3.7
137.00029	0.2
152.99501	0.8
164.90935	0.3
167.01039	1.6
185.02135	4.4
200.34523	0.2
218.02780	0.3
223.00075	0.3
229.69695	0.2
233.22755	0.4
259.20718	0.5
275.20081	0.6
277.21713	100.0
278.22043	5.0
279.22662	0.5
392.52231	0.3
445.23590	47.6
446.23984	2.7
466.87796	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.6867
Annotation	Unknow
Peak:m/z	Relative Intensity
67.49608	0.3
71.57372	0.5
78.26942	0.3
81.03330	6.0
83.04897	16.1
85.02847	0.3
88.22586	0.3
90.14858	0.3
96.95861	0.4
100.07547	0.3
107.05999	0.5
107.23825	0.3
108.04439	0.6
125.07096	1.1
126.05486	0.4
143.08081	0.5
160.57300	0.3
191.01935	0.4
207.14919	1.3
224.17613	2.3
225.13779	0.5
225.16034	10.5
242.18697	0.7
309.21667	0.8
321.01874	0.3
324.26547	0.5
333.22903	0.8
337.25253	0.4
341.29208	1.0
367.27158	0.8
433.31659	1.5
450.34518	1.4
451.32855	9.1
452.32996	0.9
503.33051	0.3
550.43658	0.5
567.46320	0.6
585.59131	0.3
657.75226	0.3
677.50006	1.8
776.60370	0.8
885.65179	0.5
903.66498	100.0
904.66809	20.2
904.85321	0.6
906.60822	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.6047
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03303	0.4
71.01246	0.8
71.44083	0.4
78.95772	0.4
83.04892	0.7
85.02834	2.2
87.20267	0.3
95.04889	0.5
97.06467	3.2
100.09781	0.3
107.24251	0.3
125.09579	0.9
127.07540	0.3
127.11172	1.3
137.09634	0.4
145.30006	0.3
152.99606	0.4
153.09073	0.3
155.10677	0.5
155.14302	0.4
162.11221	0.3
165.12709	1.0
167.14342	0.6
171.10188	6.3
177.12744	1.0
183.13844	3.5
184.14275	0.3
184.28000	0.3
185.11778	0.9
193.12239	0.9
197.11766	0.3
203.10591	0.6
208.26303	0.3
209.11736	1.2
211.13339	16.9
212.13762	0.7
221.11778	3.0
227.12875	0.4
229.14398	12.4
230.14789	0.6
233.08105	0.3
239.12837	2.1
291.19711	2.3
309.20691	1.0
323.18665	0.9
325.20029	1.2
327.21768	100.0
328.22076	6.0
461.36737	0.3
561.34418	0.3
599.35938	0.8
604.63733	0.3
617.36798	1.8
635.37714	2.4
913.85553	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.5806
Annotation	Unknow
Peak:m/z	Relative Intensity
68.47672	0.7
69.09122	0.7
71.57422	0.8
78.95782	8.6
92.40367	0.6
110.98399	4.4
152.99471	2.7
167.00998	1.6
185.02147	3.5
194.39828	0.6
255.23265	2.8
256.23553	1.2
277.21729	4.6
278.22000	2.9
279.23288	100.0
280.23608	5.7
445.23596	1.7
446.23825	2.6
447.25113	39.0
448.25568	2.6
483.27399	1.4
484.27625	1.7
768.99561	0.8
780.39362	0.8
951.52533	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.5808
Annotation	Unknow
Peak:m/z	Relative Intensity
67.94325	0.2
69.67959	0.5
69.68362	1.1
73.97216	0.2
78.95780	12.5
96.96838	0.7
110.98433	3.1
152.99498	11.8
153.00533	0.2
167.01024	1.2
171.00572	0.7
185.02139	3.1
227.03337	0.6
245.04260	0.3
255.23289	12.7
256.23605	7.0
261.22336	0.2
279.23291	100.0
280.23636	4.9
281.24875	0.3
401.50192	0.2
433.23654	4.4
434.24203	0.3
447.25177	37.0
448.25467	2.2
478.29135	0.3
483.27295	8.0
484.27615	6.8
485.28116	0.5
529.30280	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.5893
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01711	0.3
69.03320	2.4
69.71085	1.9
71.01250	17.2
72.99170	1.7
73.02822	2.4
75.00760	0.4
81.03325	0.7
83.01253	2.3
84.02003	0.5
85.02820	10.6
87.00749	4.0
89.02314	14.6
91.03868	0.4
93.03368	0.4
94.49503	0.3
95.01281	1.5
97.02824	3.9
97.06458	1.5
97.93913	0.4
99.00758	1.2
101.02320	13.6
107.92918	0.3
109.02792	0.4
110.27657	0.3
111.00779	0.5
111.04388	0.7
113.02322	6.1
119.03381	3.6
119.08528	0.5
121.02834	0.4
125.02330	4.9
125.09575	0.7
127.11163	1.2
131.03386	0.7
137.09605	2.6
141.01721	0.6
143.03398	2.3
155.10670	0.6
157.92667	0.3
159.95482	0.4
161.04446	2.9
165.12762	0.5
167.14287	0.6
169.05006	0.5
171.10173	26.4
172.10561	0.8
177.12761	0.5
179.05511	3.0
183.01134	1.1
183.13918	2.0
185.04379	0.4
185.11717	0.5
193.12273	0.7
197.11703	0.6
201.11234	1.4
209.11768	1.2
211.13332	9.2
221.06564	0.9
221.11838	1.6
227.12637	0.4
229.14391	6.5
235.08205	4.3
239.12823	1.5
253.09201	1.0
255.23253	35.2
256.23569	2.4
263.07755	0.5
277.09216	0.5
277.21753	1.3
287.07718	1.3
287.16559	1.2
291.19653	3.0
305.08841	2.0
305.17648	1.3
309.20697	6.6
310.20926	0.8
323.09784	1.2
327.21738	100.0
328.22086	7.2
339.19983	3.3
340.20255	1.7
341.19925	0.5
379.12418	0.8
397.13470	53.0
398.13873	3.1
415.14575	15.1
416.14706	0.8
565.44281	1.6
653.37415	5.4
654.37677	0.9
707.34955	5.4
708.34802	0.7
725.36133	2.6
726.35455	0.5
963.57874	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.539
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03334	1.6
69.27658	10.3
71.01250	16.5
72.99183	1.3
73.02806	3.4
78.95823	0.9
83.01259	2.0
85.02821	3.4
87.00739	4.0
87.01241	1.0
89.02308	14.3
95.01215	2.1
96.95859	1.0
97.02830	2.7
98.19744	1.7
101.02319	10.4
113.02318	5.0
119.03387	4.1
125.02309	6.5
141.01587	13.7
143.03392	2.6
148.89442	1.1
154.87082	1.1
156.84015	0.9
161.04419	2.3
179.05511	3.4
183.13846	7.3
185.11577	1.0
193.12221	2.3
211.13327	100.0
212.13644	4.5
235.08168	4.1
247.83531	1.1
253.09142	1.0
255.23235	3.1
259.08228	1.1
277.21710	56.3
278.22000	2.4
287.07773	1.6
289.17953	2.9
305.08701	1.6
307.18835	1.7
323.09714	1.4
339.19919	1.4
379.12350	11.3
397.13510	38.0
398.13913	2.4
415.14862	7.0
438.36041	1.0
591.26672	10.0
609.27673	11.0
657.34552	2.6
675.35699	4.2
869.48944	1.4
878.41675	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	961.5657
Annotation	Unknow
Peak:m/z	Relative Intensity
70.91628	1.1
78.95779	19.8
109.56760	0.5
110.98407	11.3
116.65188	0.5
129.31348	0.5
148.90384	0.5
152.99486	0.7
167.01065	13.6
185.02167	3.7
234.71873	0.6
277.21716	100.0
278.22064	7.0
334.14780	0.6
342.26755	0.6
380.60907	0.5
445.23596	79.4
446.24051	6.2
713.46313	0.6
916.69489	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.5742
Annotation	Unknow
Peak:m/z	Relative Intensity
68.77396	0.5
69.32893	3.5
69.33318	1.4
70.26141	0.5
70.55918	0.4
72.56609	0.4
78.95778	14.6
87.09158	0.5
96.96839	0.6
110.98392	1.4
152.99495	21.1
153.00755	1.1
153.99800	0.5
171.00555	1.3
174.04892	0.5
179.45735	0.5
185.02075	0.8
227.03223	3.6
245.04184	0.9
255.23273	100.0
256.23520	4.2
277.21793	0.5
279.23288	36.2
281.24911	1.1
328.79117	0.6
433.23587	2.3
447.25180	12.5
478.29370	1.4
483.27304	77.4
484.27621	4.8
493.73138	0.5
529.30316	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5353
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03334	1.4
71.01247	19.2
72.99161	1.6
73.02823	3.4
80.78253	0.8
81.03323	1.1
83.01263	3.3
85.02805	4.1
87.00747	3.9
89.02310	15.7
95.01311	1.4
96.95879	4.0
97.02816	3.2
98.19814	1.9
101.02321	14.9
111.04385	1.1
113.02312	7.5
113.12309	0.7
113.24987	0.8
119.03412	3.8
125.02306	6.6
143.03372	2.9
161.04462	4.7
161.05679	0.7
167.10646	0.8
171.10204	0.9
179.05534	4.7
183.01097	1.3
183.13808	5.2
193.12186	2.0
202.94324	0.8
205.01260	0.8
211.13321	100.0
212.13634	3.2
217.07091	1.4
221.06596	1.8
235.08218	6.0
253.09225	0.9
255.23260	3.5
259.08197	1.0
264.20230	0.8
271.17081	0.9
277.21704	64.3
278.22046	3.6
287.07687	1.5
289.18094	2.3
301.08932	0.8
305.08701	1.8
323.09851	1.5
332.18582	1.0
353.21564	1.0
379.12399	13.7
397.13440	46.1
398.13672	1.6
415.14536	9.9
507.03455	0.8
584.17456	0.9
591.26709	9.9
609.27710	4.7
647.97925	0.9
657.34906	3.2
675.35864	5.5
869.49005	1.5
881.42084	0.8
899.55634	1.1
925.55389	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	959.5137
Annotation	Unknow
Peak:m/z	Relative Intensity
66.49525	0.3
70.80948	0.3
71.01244	0.4
71.35042	0.7
75.00729	0.5
78.95778	60.0
85.02798	0.4
96.96848	6.5
111.73161	0.3
113.02338	0.8
123.09453	0.3
150.97917	2.2
152.99495	100.0
153.99803	0.7
171.00540	3.8
233.79050	0.3
277.21744	2.3
431.22031	33.1
432.22424	2.6
527.28589	4.3
528.28778	0.7
895.13275	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.5499
Annotation	Unknow
Peak:m/z	Relative Intensity
70.93185	1.0
70.93503	0.6
71.01262	1.4
78.95772	6.1
96.95892	0.8
106.40779	0.5
110.98409	4.2
116.92748	0.9
141.27451	0.6
167.01086	2.4
171.10199	0.6
181.73213	0.6
185.02118	3.9
187.03436	0.5
191.89127	0.5
197.02571	0.8
197.40034	0.6
210.76439	0.5
277.21713	100.0
278.22012	6.2
294.84094	0.6
311.16931	1.4
325.18497	3.1
350.12601	0.6
368.32437	0.7
391.99026	0.6
397.13260	0.8
445.23587	46.7
446.23874	3.0
469.60632	0.5
534.74066	0.6
688.14917	0.5
881.44531	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.5503
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95775	7.1
110.98427	4.7
112.14320	0.4
152.99501	2.1
167.01059	1.6
179.10710	0.3
185.02139	3.9
215.78683	0.3
225.54507	0.4
230.52405	0.4
233.22804	0.5
259.20471	0.4
275.20093	0.5
277.21725	100.0
278.22067	5.6
286.95688	0.4
310.48474	0.4
332.72296	0.4
339.38318	0.4
431.21750	0.5
445.23618	39.9
446.23929	2.8
653.40814	0.4
764.97961	0.3
780.71533	0.3
790.29187	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	960.5593
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57948	1.2
76.00140	0.7
78.30378	0.7
78.84267	0.6
78.95778	13.7
96.96857	1.3
97.15533	0.7
98.15697	0.7
108.87565	0.8
117.55254	0.8
141.17136	0.7
152.99495	16.7
227.03214	2.9
245.04387	1.2
255.23233	4.0
256.23682	1.1
279.23291	100.0
280.23642	7.4
296.29251	0.7
341.35416	0.9
419.17688	0.8
450.63971	0.8
452.27878	2.7
453.28564	1.3
478.51016	0.8
498.07370	0.8
507.27286	80.8
508.27670	6.3
516.48547	0.7
526.11432	0.7
537.24725	0.8
580.76221	0.7
688.32343	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.5998
Annotation	Unknow
Peak:m/z	Relative Intensity
70.62241	1.4
78.95782	5.6
81.69547	0.3
97.84412	0.3
110.98425	3.9
148.58475	0.4
152.99498	1.2
164.46896	0.4
167.01018	1.6
185.02127	3.5
234.19243	0.4
261.22195	0.5
279.23285	100.0
280.23627	7.0
350.89044	0.4
430.80923	0.5
447.25156	38.8
448.25385	3.4
484.27054	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
70.45048	0.7
71.01250	7.6
71.58444	1.2
73.02827	1.5
74.33783	0.7
78.95744	1.2
79.95631	3.8
80.96419	1.4
83.01241	1.2
85.02819	4.1
87.00749	0.7
88.98693	1.1
89.02311	0.9
89.36157	0.7
94.97934	1.0
96.87630	0.8
96.95892	100.0
97.02837	2.2
99.00725	1.2
101.02334	2.3
107.84943	0.7
113.02322	1.9
114.87991	0.7
117.48386	0.7
119.82261	0.6
125.02342	1.0
135.08072	1.4
140.08240	0.8
145.05011	0.9
149.06015	4.0
150.06766	40.7
151.07144	1.4
161.09636	1.1
162.06779	11.7
163.07562	25.8
164.08356	10.9
171.10167	1.7
176.08334	1.3
177.09137	12.2
178.09860	2.1
179.10695	31.9
180.11005	1.3
181.91702	0.7
191.01920	0.7
197.11789	1.0
209.11765	0.8
257.31116	0.8
284.77713	0.8
291.19562	0.8
309.20853	3.3
327.21402	1.0
397.13779	1.5
445.36700	0.8
448.35654	3.0
462.37286	1.2
463.37888	6.3
464.38708	0.9
519.61774	0.7
592.39795	1.3
606.41040	4.6
607.42023	15.6
608.42633	2.6
610.41199	1.5
623.42261	0.8
624.42340	8.7
625.43182	16.4
626.43506	2.0
649.42957	4.3
650.43799	0.8
666.43445	14.3
666.53912	1.3
667.44214	38.8
668.44604	4.3
709.45099	4.0
710.46710	0.9
751.46021	3.8
769.47565	4.0
787.48193	1.2
811.48596	16.6
812.48077	3.4
829.49377	11.6
830.49463	1.9
871.50397	16.6
872.51385	2.6
959.46790	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.509
Annotation	Unknow
Peak:m/z	Relative Intensity
67.29129	0.3
71.01248	0.5
71.57725	0.4
75.00732	0.5
78.67630	0.2
78.95775	48.3
83.04894	0.3
85.02817	0.3
90.25673	0.2
96.96840	3.8
99.00735	0.3
104.97353	0.3
110.98416	4.2
113.02351	0.5
127.07546	0.3
150.97917	1.3
152.99490	59.4
153.99767	0.6
167.01070	1.9
171.00563	2.1
185.02126	4.5
185.99274	0.2
201.01952	0.2
204.82356	0.2
228.85963	0.2
233.22777	0.5
249.06175	0.3
259.20544	0.4
275.20309	0.5
277.21716	100.0
278.22055	6.0
357.18860	0.2
398.87347	0.3
431.22006	26.7
432.22403	2.6
445.23596	38.2
446.24008	2.5
527.28571	3.7
528.29199	0.4
575.15454	0.3
683.58661	0.3
733.44769	0.3
838.61139	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.584
Annotation	Unknow
Peak:m/z	Relative Intensity
69.64284	0.5
69.64716	0.9
78.95776	56.1
96.96844	6.8
124.99990	0.2
150.97945	2.1
152.99492	100.0
153.99834	1.0
171.00549	3.6
199.03717	0.4
255.23227	0.4
277.21719	8.4
278.22113	0.6
279.23215	0.9
280.23712	0.2
433.23575	39.9
434.23892	2.7
459.25153	4.6
460.25473	0.4
466.85938	0.2
949.52631	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.5846
Annotation	Unknow
Peak:m/z	Relative Intensity
69.14602	0.2
69.43645	0.2
70.81326	0.4
70.81680	0.4
78.95776	59.8
96.96841	6.1
150.97931	2.2
152.99490	100.0
153.99873	1.1
171.00563	4.0
172.18709	0.2
200.08437	0.2
255.23308	0.2
261.66769	0.2
279.23294	1.0
346.74506	0.2
433.23587	38.8
434.23965	2.4
483.27612	0.2
883.06470	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	0.9
71.04709	0.1
73.02828	0.2
83.01268	0.1
84.13959	0.1
85.02805	0.4
87.00689	0.1
89.02313	0.6
91.01772	0.2
95.01284	0.1
96.95900	0.1
101.02328	0.6
113.02341	0.3
119.03366	0.2
126.99457	100.0
127.99795	2.1
128.99187	0.5
161.04478	0.2
162.37981	0.1
165.70186	0.1
179.05487	0.1
211.01607	0.1
317.06290	0.1
331.05865	3.1
332.06238	0.2
417.25101	0.5
545.97913	0.1
579.30206	4.3
580.30640	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.516
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44924	1.3
69.45339	4.1
70.69321	0.5
77.62729	0.6
78.95776	12.9
85.71060	0.6
96.96841	0.9
98.19856	1.2
138.31590	0.5
142.13049	0.6
152.98308	1.1
152.99498	16.5
160.77209	0.5
171.00546	2.0
227.03241	1.7
244.15036	0.5
245.04239	1.5
277.21762	1.4
279.23291	100.0
280.23639	5.9
321.29166	0.6
507.27277	71.4
508.27597	5.8
558.57104	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.5596
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01264	2.2
71.58331	1.8
75.00752	2.7
76.17123	0.9
78.95779	24.0
85.02847	2.4
87.00758	1.4
99.00716	1.9
110.98428	11.7
113.02351	3.0
117.01801	1.1
152.99498	13.6
167.01070	9.9
175.02341	1.3
185.02153	1.2
227.03160	1.1
249.06148	3.0
255.23280	52.5
256.23676	3.0
279.23297	100.0
280.23654	5.8
447.25186	96.8
448.25620	5.8
461.26611	1.5
483.27298	35.6
484.27612	1.8
505.30191	50.2
506.30582	4.5
873.10193	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	953.5615
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03339	0.5
71.01266	3.2
71.13956	0.9
72.99183	0.6
75.00759	2.3
78.95783	13.4
83.01250	0.6
85.02843	3.4
87.00782	1.1
89.02316	0.8
94.85670	0.5
95.01247	0.6
96.96815	0.6
99.00774	2.8
101.10246	0.4
103.00264	0.5
106.07590	0.5
110.98430	3.8
113.02377	4.3
131.03403	0.7
137.56555	0.5
140.01157	0.7
152.99504	11.0
164.05556	0.5
165.64314	0.5
167.01085	1.6
171.00528	0.7
185.02187	2.8
227.03198	1.5
245.04260	0.7
249.06216	2.6
255.23293	57.7
256.23608	3.5
267.07239	0.8
279.23306	100.0
280.23727	6.9
307.26471	4.8
308.26886	2.5
447.25208	42.3
448.25485	3.8
483.27335	34.1
484.27542	3.2
504.30829	3.4
505.30353	30.0
506.30536	2.4
580.82825	0.5
687.44751	0.6
953.51178	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.5681
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03304	1.0
70.89509	0.8
70.89850	1.1
71.01250	21.2
72.99171	2.0
73.02808	3.2
75.00718	0.6
79.23358	0.4
81.03324	1.0
83.01268	3.1
85.02814	5.1
87.00754	4.9
89.02310	14.4
92.12341	0.5
95.01248	1.6
97.02824	3.0
99.00755	1.3
99.04407	0.6
101.01688	0.8
101.02324	11.8
109.02872	0.7
109.06470	1.3
113.02325	7.9
119.03389	4.3
125.02340	5.4
137.02307	0.5
139.03926	0.6
141.01770	0.7
143.03444	2.4
143.24571	0.4
145.23381	0.6
149.04427	0.6
154.81378	0.5
161.04448	3.8
163.11191	0.6
171.10152	0.9
179.05508	3.9
183.10199	1.0
183.13821	1.9
195.13805	5.8
199.06056	0.5
207.10150	2.5
211.13354	1.7
221.06624	1.5
223.13266	3.6
225.11301	0.7
228.13542	0.9
231.21068	0.8
235.08165	5.8
235.16953	5.4
253.09155	2.3
256.13116	0.9
263.07745	0.6
275.20132	13.2
276.20477	0.9
277.21713	51.8
278.22034	3.8
287.07822	1.3
293.21210	100.0
294.21533	6.6
305.08752	1.9
317.21109	0.7
323.09644	0.8
379.12451	5.1
380.12485	0.5
392.75784	0.7
397.13507	38.1
398.13998	2.8
415.14557	13.6
481.66528	0.6
673.34015	0.7
691.35181	1.6
721.40894	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.5685
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	1.4
71.01252	17.2
71.07473	0.4
72.99192	1.7
73.02824	2.5
81.03342	1.1
83.01255	1.5
85.02818	5.3
86.87285	0.3
87.00757	4.1
89.02314	15.9
90.38863	0.3
95.01249	1.2
95.04921	0.4
97.02812	2.9
98.20548	0.8
99.00723	1.1
101.02319	13.6
101.02992	0.7
102.02656	0.3
104.87967	0.4
109.06445	0.6
111.00787	0.4
111.04381	0.6
113.02322	7.1
119.03374	3.7
125.02346	5.4
131.03432	0.8
133.05016	0.3
141.01851	0.5
143.03412	2.7
161.04474	3.2
171.10182	0.9
177.12679	0.4
179.05530	3.4
179.14275	0.8
195.13853	6.2
205.12260	0.8
207.10332	1.0
211.13370	0.9
217.07021	0.6
221.06589	1.3
223.13339	4.7
225.14899	0.4
228.13644	0.6
229.42130	0.4
235.08200	4.2
245.06755	0.4
253.09308	1.5
256.13159	1.2
263.07492	0.7
275.20126	5.3
277.21713	44.6
278.22110	3.0
287.07898	2.0
293.21219	100.0
294.21503	6.3
305.08835	1.7
317.20782	0.5
323.09711	1.1
379.12402	3.6
397.13489	40.9
398.13593	2.2
415.14557	12.8
416.15134	0.6
425.57019	0.4
445.92258	0.4
675.35895	1.8
691.35950	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.5529
Annotation	Unknow
Peak:m/z	Relative Intensity
67.53999	0.2
68.23042	0.2
73.43258	0.1
78.95776	62.5
96.96842	6.3
96.97305	0.1
122.50969	0.2
150.97935	1.8
152.99492	100.0
153.99800	0.8
171.00552	3.1
229.73228	0.2
266.57111	0.2
277.21710	1.0
431.22015	39.4
432.22348	2.1
505.25931	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.5532
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40628	1.4
78.95777	74.6
79.37101	0.1
96.96844	6.1
150.97937	2.2
152.99492	100.0
153.99838	0.8
171.00562	3.0
205.19182	0.2
208.06441	0.1
277.21756	1.7
278.22046	0.2
279.23291	0.3
341.17694	0.2
431.22012	47.0
432.22351	2.2
445.23639	0.2
541.07172	0.1
889.93726	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.5661
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95778	54.8
96.96843	6.2
98.19720	0.4
142.07895	0.3
150.60089	0.3
150.97952	1.6
152.99495	100.0
153.99837	1.1
171.00577	3.6
192.91411	0.3
255.23326	1.6
256.23685	1.1
265.21655	0.4
279.23383	0.9
314.05353	0.3
384.36075	0.4
433.23602	34.2
434.23911	2.0
452.27814	1.1
453.28207	0.9
454.28702	0.5
528.36841	0.4
587.22607	0.4
763.52039	0.3
895.45337	0.3
924.45752	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.6101
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03337	1.8
69.52611	5.2
71.01257	24.6
72.99188	2.9
73.02828	4.1
78.95787	2.3
81.03334	1.7
83.01251	3.1
83.04913	1.4
85.02818	5.4
87.00758	5.4
89.02319	21.8
95.01262	1.6
97.02836	3.8
98.19801	1.6
99.00774	1.8
101.02325	19.8
102.02654	0.7
108.06759	0.7
111.04413	2.0
113.02331	8.1
113.09593	0.8
119.03393	7.5
120.68382	0.9
125.02344	9.6
129.05473	8.9
131.03403	1.7
142.17329	0.8
143.03400	3.1
148.12456	0.8
152.99440	1.3
161.03273	0.9
161.04439	5.0
171.10190	2.5
179.05569	4.2
196.51488	0.7
221.06680	1.6
235.08192	10.4
253.09346	1.9
255.23277	58.2
256.23615	7.7
257.23920	1.5
263.07617	0.9
277.21729	6.1
287.07706	3.6
293.21268	5.5
294.21490	5.1
295.22794	40.3
296.23151	2.5
305.08929	4.5
323.09729	1.5
379.12332	1.3
397.13504	100.0
398.13873	12.5
399.13895	3.9
415.14575	32.1
416.15036	3.7
417.15341	1.2
620.75647	0.7
653.25909	1.1
653.37231	6.8
654.37677	1.0
880.47742	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.5323
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51318	1.2
69.51740	1.5
71.01270	0.6
73.62275	0.3
78.76807	0.3
78.95777	31.8
83.04886	0.8
97.06486	0.3
121.99993	1.2
134.98439	0.4
135.32132	0.3
140.01088	8.4
152.99495	2.7
166.02657	0.4
174.79211	0.3
196.03735	13.7
205.19556	0.9
214.04793	4.0
223.86642	0.3
233.22743	1.5
259.20612	1.0
275.20291	0.5
277.21719	93.9
278.22076	5.1
343.21521	0.3
474.26260	100.0
475.26639	6.7
562.18420	0.4
946.65381	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.5656
Annotation	Unknow
Peak:m/z	Relative Intensity
71.50042	0.6
77.91925	0.4
78.95776	55.5
96.96841	6.3
102.69535	0.4
148.08960	0.4
150.97942	1.5
152.99487	100.0
153.99879	0.9
171.00543	3.4
222.03372	0.5
225.83409	0.4
227.00555	0.4
279.23376	1.2
375.35391	0.4
433.23587	34.6
434.23898	1.8
473.34390	0.4
769.55353	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.6108
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58163	0.7
78.95773	9.6
96.37199	0.4
132.49136	0.4
140.01096	2.0
152.99493	2.2
171.00520	0.9
177.17903	0.4
178.48270	0.4
179.94626	0.4
187.54466	0.4
196.03764	0.7
210.27974	0.4
214.04793	2.1
255.23267	100.0
256.23602	4.4
277.21555	0.9
327.22238	0.4
397.13458	0.5
442.61154	0.5
452.27829	45.4
453.28250	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	949.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
70.86592	30.2
70.86935	20.4
71.01266	20.9
96.95895	19.5
118.64050	17.8
130.42644	14.8
184.96320	15.5
204.92369	16.5
225.70876	14.8
277.21796	50.8
291.19519	100.0
339.19876	16.7
353.21494	37.7
397.13495	54.1
643.72797	16.3
737.30127	16.8
867.70947	17.6
902.97473	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	949.5313
Annotation	Unknow
Peak:m/z	Relative Intensity
68.73011	12.2
71.01254	29.9
78.95770	15.7
100.20844	13.1
112.41476	14.4
141.01521	12.9
152.99403	16.3
201.14351	12.0
209.11668	17.5
255.23227	13.3
277.21765	84.8
291.19687	100.0
353.21515	33.0
397.13248	30.5
405.22345	23.1
602.25610	14.5
671.33234	16.7
783.56683	15.2
862.32117	18.5
949.51801	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	947.6105
Annotation	Unknow
Peak:m/z	Relative Intensity
71.29271	0.6
78.95774	19.7
84.77399	0.3
116.61243	0.3
122.00040	0.7
134.98351	0.3
140.01074	5.7
152.99481	1.4
171.70557	0.3
173.14943	0.3
196.03725	9.4
214.04782	1.8
255.23267	100.0
256.23599	5.6
290.98126	0.3
452.27811	84.4
453.28082	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	945.5347
Annotation	Unknow
Peak:m/z	Relative Intensity
68.12329	0.5
71.01294	0.5
73.75328	0.6
78.95778	64.1
96.96841	5.0
98.20647	0.9
100.10428	0.5
148.25980	0.5
150.97894	1.7
152.99493	100.0
153.99814	1.2
171.00560	2.6
181.65973	0.6
230.23471	0.7
251.51656	0.5
255.23427	0.9
277.21545	1.2
281.80118	0.5
309.33661	0.6
368.03137	0.6
397.13651	0.6
431.22015	52.8
432.22446	2.5
477.28302	0.6
846.73816	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5342
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52860	1.9
69.53287	1.2
70.92133	0.4
76.77171	0.3
78.95775	79.0
80.43521	0.3
96.96835	6.2
103.51363	0.3
111.11377	0.4
142.74643	0.3
148.04381	0.3
150.97856	1.8
152.99486	100.0
153.99814	0.7
171.00525	3.0
188.65077	0.4
277.21753	1.4
420.61212	0.4
431.22006	48.9
432.22269	2.9
522.74457	0.4
821.24115	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
68.02401	0.9
69.03320	1.0
70.84290	0.6
71.01250	14.5
72.01595	0.3
72.99173	0.8
73.02811	4.7
74.82812	0.2
78.77150	0.2
81.03323	0.8
83.01261	1.9
83.04895	0.6
85.02818	7.0
87.00740	1.4
89.02310	10.3
93.03349	0.2
95.01273	1.2
95.04883	0.6
96.95882	1.1
97.02825	4.5
97.06455	2.8
97.08445	0.2
99.00724	0.5
99.04391	0.3
101.02318	15.4
111.00708	0.2
111.04445	0.3
113.02321	5.2
115.03880	0.9
119.03384	3.5
125.02344	0.6
125.09597	0.8
126.99448	1.2
127.11147	1.1
131.03403	1.2
133.05034	0.2
137.09604	0.7
143.03404	3.3
143.04523	0.3
147.02843	0.3
149.04456	0.4
155.10660	0.5
155.14325	0.3
159.02896	0.2
161.04460	14.9
162.04716	0.3
163.17706	0.2
165.12743	0.6
166.09775	0.7
167.10548	0.3
167.14319	0.8
171.10184	6.3
172.10457	0.3
176.78400	0.2
177.12744	0.8
179.05515	9.7
180.05801	0.3
181.12207	0.4
183.13835	4.4
185.11783	0.7
191.01804	0.6
193.12292	1.1
197.11734	0.6
198.25174	0.2
199.13293	0.5
203.10663	0.4
209.11783	1.3
211.13326	17.4
212.13620	0.8
221.06642	2.5
221.11722	2.9
227.12875	0.2
229.14397	10.7
230.14619	0.2
238.41866	0.2
239.12891	1.6
247.20662	0.3
251.16464	0.6
263.07660	3.9
269.17578	0.3
291.19629	2.6
292.19852	0.3
309.20636	0.6
323.09796	0.4
325.20108	0.5
327.21738	100.0
328.22070	7.6
456.15457	0.6
474.42572	0.2
475.29034	0.2
485.34164	0.3
598.61804	0.2
618.20673	16.7
619.20752	2.0
620.20447	0.5
624.24365	0.2
768.90784	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03329	2.0
71.01253	20.6
71.04891	1.9
71.51614	1.6
72.99186	1.5
73.02808	4.1
75.00742	1.3
76.22789	1.0
80.96406	1.1
81.03338	0.9
83.01266	2.7
83.04886	0.8
85.02825	5.2
87.00748	6.8
89.02320	10.4
95.01302	1.2
95.04907	1.1
97.02824	11.2
97.06456	2.3
99.00755	26.4
101.02320	10.7
105.01785	0.9
109.06484	2.0
110.03589	1.0
111.04363	1.0
113.02340	7.5
119.03398	2.7
123.08073	1.3
125.02325	7.0
125.09602	8.5
135.08058	1.3
136.05203	1.4
141.01842	1.1
142.02641	2.8
143.03407	1.5
161.04469	2.0
161.09521	0.8
162.01822	0.9
163.11176	10.9
179.05518	1.1
179.10666	1.3
181.12260	23.2
182.12636	1.3
199.13327	2.8
207.10201	60.6
208.10551	3.4
225.11267	92.4
226.11571	5.1
235.08243	3.2
243.12347	30.7
263.07648	2.0
277.21716	67.6
278.22073	4.6
290.42731	0.8
317.16373	1.1
323.09454	1.0
325.18475	3.6
326.18698	1.3
339.20096	1.2
368.86319	0.9
379.12256	3.2
397.13504	10.7
415.14676	3.1
605.24530	21.2
606.24939	2.4
623.25555	12.3
624.26300	1.6
657.35278	1.2
675.35547	1.0
685.52655	1.0
883.46936	100.0
884.47327	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
65.81194	0.6
69.69677	3.4
74.50127	0.6
83.01215	0.6
85.02795	0.6
107.01268	1.1
108.02058	0.9
109.02828	0.9
114.07732	0.5
121.02843	0.7
151.00237	6.0
158.37924	0.7
163.00240	1.5
178.99765	3.6
226.02751	0.8
227.03418	1.7
243.02872	5.9
245.04410	0.9
254.02164	1.2
255.02934	14.0
256.03464	0.8
271.02463	31.3
272.02951	2.5
275.85034	0.6
287.28247	0.6
299.01971	1.1
300.02728	54.4
301.03473	22.1
302.03867	1.6
609.14551	100.0
610.14966	9.8
752.78711	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57739	0.4
78.95311	0.7
78.95774	13.3
96.72479	0.3
96.96833	0.9
110.98414	0.8
120.35771	0.4
152.99490	21.8
167.00854	0.4
171.00560	1.3
174.50922	0.4
197.72025	0.4
227.03229	2.7
245.04260	1.6
260.41431	0.4
261.22260	0.5
277.21695	4.1
278.22043	2.1
279.23294	100.0
280.23608	6.0
325.82333	0.4
355.73279	0.4
433.23572	1.6
445.23691	2.7
446.24103	1.8
507.27283	77.2
508.27646	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	941.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57861	1.3
71.58289	1.5
76.19696	0.9
78.95774	23.6
80.98511	0.9
81.89540	0.9
96.96861	1.4
152.99495	34.4
212.17937	1.0
227.03172	1.8
245.04327	1.7
255.23273	3.0
256.23627	2.3
279.23288	88.1
280.23630	5.0
389.94043	1.0
433.23602	2.6
436.33801	1.2
447.25336	3.6
472.55261	1.0
484.27777	1.6
507.27274	100.0
508.27731	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	940.5684
Annotation	Unknow
Peak:m/z	Relative Intensity
66.35027	0.3
78.95777	20.7
83.04919	0.4
98.19660	0.6
104.97340	0.6
110.98415	12.5
115.42159	0.3
124.22836	0.3
129.67389	0.3
136.99974	0.4
152.99481	0.8
167.01056	14.7
185.02124	3.9
229.73717	0.4
255.23347	0.4
256.23477	0.3
259.20673	1.0
275.20145	0.6
277.21719	100.0
278.22086	4.8
328.71970	0.3
445.23596	92.4
446.23901	4.4
661.10352	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03325	4.0
69.42249	1.8
71.01256	21.6
71.51726	1.6
73.02836	2.3
78.95798	2.5
79.95605	1.8
80.96384	2.7
83.01273	3.1
85.02831	7.5
87.00743	5.3
89.02320	17.6
95.01205	2.0
97.02831	4.1
98.19752	4.3
98.20461	7.7
99.08501	1.9
101.02332	16.5
108.54440	1.7
113.02286	8.8
116.92773	9.4
119.03371	4.4
125.02367	8.2
125.12550	1.8
137.86725	1.8
140.34158	1.9
143.03445	4.5
161.04483	4.9
167.10701	2.9
179.05589	5.0
195.13768	7.9
205.12236	10.2
223.13345	100.0
224.13727	5.2
229.72594	2.5
235.08186	6.1
277.21713	72.2
278.21991	9.1
287.07590	2.2
353.21600	2.2
354.20746	2.1
379.12479	14.2
391.43262	1.9
393.91916	2.1
397.13501	60.9
398.13669	3.5
415.14590	9.4
603.26660	12.7
604.27148	2.2
621.27576	9.6
657.34833	2.1
675.36206	4.2
724.91650	2.1
750.11029	1.8
881.49139	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	939.5815
Annotation	Unknow
Peak:m/z	Relative Intensity
67.50176	0.9
67.61085	1.0
78.95779	6.9
87.01514	0.8
101.53107	0.9
109.61230	0.9
110.98399	3.2
121.70870	1.0
152.99545	2.8
167.01015	2.4
185.02106	3.6
205.54114	1.0
214.32718	0.9
279.23294	100.0
280.23703	4.0
422.73593	0.9
447.25186	43.3
448.25244	2.7
706.63196	1.0
889.61340	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.5815
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30987	14.0
78.95779	19.8
94.06910	1.2
96.95885	1.6
110.98419	9.5
115.57201	1.4
133.44249	1.5
140.40649	1.7
152.99529	7.2
155.78459	1.5
167.01051	11.2
185.02165	2.2
279.23294	100.0
280.23572	5.3
447.25165	67.0
448.25479	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	939.6422
Annotation	Unknow
Peak:m/z	Relative Intensity
65.47105	0.7
69.22918	10.5
78.95767	1.1
98.20539	2.2
120.20094	1.2
144.21326	0.9
260.61740	0.9
395.60049	1.0
460.52435	0.9
481.04138	1.0
515.29651	0.9
617.84650	0.9
679.97571	0.9
903.66351	4.7
939.64209	100.0
940.64441	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	940.5684
Annotation	Unknow
Peak:m/z	Relative Intensity
70.93478	0.8
71.01244	0.3
78.95316	0.3
78.95778	5.6
90.10783	0.3
104.97314	0.3
110.98418	4.5
123.97115	0.2
134.32086	0.2
138.08310	0.3
152.99480	0.7
167.01131	2.0
185.02153	3.6
233.22658	0.5
243.97372	0.3
252.89708	0.3
275.20047	0.3
277.21722	100.0
278.22089	5.5
279.23398	0.4
445.23611	50.8
446.24054	3.2
451.80103	0.3
542.59589	0.3
609.33215	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.381
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35432	2.0
69.57236	0.2
71.01267	0.9
71.75159	0.3
73.57125	0.2
78.95785	6.2
79.95612	3.3
80.37140	0.2
84.88654	0.2
89.02324	0.3
94.92387	0.5
96.95895	100.0
96.96790	6.5
98.20570	0.4
101.02322	0.3
113.02337	0.3
118.96532	0.5
137.97032	0.2
138.17995	0.2
144.98106	0.2
166.79181	0.2
210.99234	0.2
277.21765	0.5
280.31863	0.2
291.04022	0.3
336.12784	0.2
366.29752	0.2
397.13440	0.3
405.41971	0.2
435.08240	0.7
453.09134	0.3
467.44528	0.3
503.91196	0.3
559.18701	1.3
577.19849	0.5
597.13843	2.2
615.14429	1.4
645.20239	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5596
Annotation	Unknow
Peak:m/z	Relative Intensity
66.93430	0.6
69.85710	1.9
69.86124	1.6
72.06816	0.6
78.95779	13.6
98.19870	0.7
110.98411	3.2
112.15499	0.6
152.98329	1.1
152.99509	16.7
167.01073	2.4
170.40784	0.6
171.00572	0.8
227.03207	2.1
245.04149	1.4
255.23280	100.0
256.23721	4.8
277.21707	14.9
277.24481	1.1
278.22058	6.5
445.23651	13.1
446.23923	6.7
452.27692	1.2
483.27295	75.0
484.27850	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	937.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02097	2.3
78.95780	18.4
82.41512	0.5
95.70216	0.5
96.96835	2.2
126.84963	0.5
136.29120	0.5
150.97943	0.8
152.78938	0.5
152.99493	30.6
171.00554	1.9
227.03136	3.1
234.50064	0.5
245.04265	1.7
275.20200	0.7
277.21725	100.0
278.22058	6.4
313.23828	1.5
431.22049	2.9
505.25726	99.9
506.26053	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	937.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95777	25.0
84.91616	0.4
96.96848	2.2
98.19770	1.0
150.97939	0.8
152.99492	37.7
153.99754	0.4
155.46725	0.4
163.15076	0.4
171.00528	1.9
227.03209	2.7
229.93930	0.6
233.22829	0.6
245.04276	1.0
275.20233	0.6
277.21716	61.4
278.21973	3.4
296.56473	0.4
396.36945	0.4
413.21075	0.5
431.22119	2.7
432.22363	0.7
451.95941	0.4
505.25735	100.0
506.26059	7.9
527.53217	0.4
557.72699	0.4
713.03192	0.4
725.80237	0.4
833.78619	0.4
875.18555	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.5429
Annotation	Unknow
Peak:m/z	Relative Intensity
70.62839	0.9
70.63238	1.0
71.01244	0.8
78.22754	0.4
78.95775	24.3
79.95598	1.5
80.33450	0.4
80.96383	1.9
94.97950	0.5
96.95895	6.3
96.96827	2.2
116.50015	0.4
124.25554	0.4
150.97906	0.7
152.99489	39.6
164.98630	0.4
171.00545	8.7
183.01027	0.6
197.02573	0.5
227.03204	2.7
245.04282	44.6
246.04579	1.2
253.21707	22.4
254.22041	1.4
255.23248	1.7
280.45630	0.5
311.16852	0.7
325.18451	3.6
326.18811	1.0
339.20038	1.2
377.61273	0.4
452.27881	0.5
481.25705	100.0
482.26004	7.8
482.32568	0.8
495.76932	0.5
519.50647	0.5
776.07556	0.5
934.49878	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.5214
Annotation	Unknow
Peak:m/z	Relative Intensity
70.81790	12.6
71.01249	62.4
72.61023	5.5
78.95776	5.8
79.95616	21.1
80.96384	50.9
85.02825	16.5
89.02312	8.9
94.97961	11.9
96.95873	100.0
97.02859	9.2
101.02308	12.8
109.06457	9.3
113.02354	8.9
119.03365	6.1
125.02306	6.2
141.48209	5.2
163.11171	8.0
164.98537	7.1
171.10237	10.3
183.01140	8.2
197.02740	17.6
201.11246	7.0
207.10213	27.2
225.00664	19.7
225.11212	26.6
277.21655	25.1
291.19812	5.7
309.20651	7.8
311.17014	5.9
325.18365	72.3
339.19897	50.5
372.93372	5.2
397.13306	19.2
415.14499	7.8
562.15039	5.3
596.29028	5.5
623.25299	6.1
763.35590	20.5
783.92999	6.0
933.48077	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.5215
Annotation	Unknow
Peak:m/z	Relative Intensity
70.08343	9.4
71.01253	11.2
75.36236	2.6
78.95776	5.5
78.98434	2.9
79.95605	8.2
80.96394	22.1
85.02857	4.2
87.00793	2.5
94.97956	4.6
96.95888	100.0
101.02358	4.1
134.97508	3.3
148.99127	3.6
152.99516	4.2
164.98506	3.0
183.01140	5.7
197.02652	5.5
197.52518	2.8
209.56918	2.5
225.00664	6.0
225.11302	3.7
230.02390	2.9
277.21664	3.9
293.21249	2.9
325.18381	37.9
326.18811	4.2
339.19904	11.0
341.30716	2.9
397.13171	3.1
481.25668	10.4
493.94482	2.7
527.30133	2.8
602.41187	2.5
652.90015	3.0
763.36115	11.8
933.49115	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	932.6001
Annotation	Unknow
Peak:m/z	Relative Intensity
67.58467	0.3
70.67265	1.1
78.95778	68.2
96.96846	5.6
150.97925	1.6
152.99493	100.0
153.99794	1.1
161.05975	0.4
171.00546	3.0
255.23323	1.5
279.73712	0.4
360.89163	0.4
409.23599	61.5
410.23904	4.3
596.06030	0.4
633.39435	0.5
641.72815	0.4
814.24487	0.4
844.88507	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03339	1.3
69.38385	6.3
69.38797	3.6
71.01251	6.5
72.99165	1.6
73.02813	5.1
77.18929	1.0
79.95605	1.7
80.96390	4.4
83.01212	1.1
85.02820	7.0
85.99952	1.3
87.00739	6.0
87.04391	1.3
93.03333	20.5
96.95890	9.5
101.02333	3.2
113.02306	1.3
113.75852	1.2
115.03897	1.7
119.04856	1.1
125.02413	1.4
131.03380	3.0
134.77393	1.1
137.02318	1.8
143.03389	2.9
145.02876	2.1
147.04419	1.2
150.98477	2.2
153.00038	2.1
165.00076	2.9
171.04396	6.5
171.10190	1.6
172.10721	1.2
178.97978	5.8
179.98795	10.6
180.99532	4.4
191.01959	1.3
197.06018	1.4
206.97449	3.1
225.00658	1.6
225.05577	2.0
231.06557	1.7
257.04526	3.7
269.04477	5.2
319.09607	1.5
338.99673	3.1
363.08734	6.9
405.04279	5.7
421.03860	7.0
433.03854	77.4
434.04071	6.1
512.10858	1.9
526.07343	1.7
527.07959	33.7
527.15399	2.2
528.08374	3.6
545.09167	8.6
569.24835	1.3
622.35352	1.2
853.20160	100.0
854.20166	16.3
933.15875	6.9
933.40094	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	931.6156
Annotation	Unknow
Peak:m/z	Relative Intensity
66.38125	0.3
71.01264	0.6
71.04900	4.6
71.58407	0.6
73.34137	0.3
78.95781	0.7
85.02831	0.3
89.02296	0.4
94.16409	0.5
97.06473	1.8
101.02318	0.6
107.04910	1.0
113.02349	0.5
121.10113	3.8
123.08047	1.1
125.09610	3.3
135.08034	0.4
137.09630	6.8
161.04353	0.3
171.10185	12.8
185.11777	6.0
195.13849	0.8
197.11748	1.1
207.13805	1.0
207.17517	0.9
211.13306	0.7
219.13855	0.6
233.15425	0.7
235.16881	0.7
237.14925	1.6
239.12875	1.3
247.20667	0.9
251.16484	17.2
252.16946	1.1
255.50003	0.4
273.18597	0.8
273.30121	0.4
291.19666	29.9
292.19986	1.6
309.20706	100.0
310.21033	6.3
517.63245	0.4
580.90735	0.4
603.39294	3.7
621.39850	1.3
641.01300	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	928.5682
Annotation	Unknow
Peak:m/z	Relative Intensity
71.40375	0.1
78.95776	58.9
91.73992	0.1
96.96843	6.4
98.19724	0.3
115.72263	0.2
117.94231	0.2
133.30685	0.2
150.97910	1.9
152.99490	100.0
153.99832	0.9
163.50700	0.2
171.00560	3.7
230.05568	0.1
255.23328	0.5
277.21796	0.3
279.23370	1.0
292.39804	0.2
343.58911	0.2
407.21768	0.2
413.21225	0.3
433.23584	38.8
434.23926	2.9
483.27121	0.2
702.97198	0.2
830.93726	0.2
894.03656	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
67.67215	1.2
68.02710	1.2
69.48417	8.2
69.48820	2.1
70.91692	1.1
71.01246	3.8
73.02837	2.1
80.02724	1.4
83.01266	1.6
85.02823	21.1
89.02306	2.0
99.04391	7.2
101.02323	5.3
103.28225	1.3
103.36658	1.2
107.01264	2.1
111.00807	3.0
120.78438	1.2
121.02901	1.2
123.24847	1.2
125.02351	2.9
125.12499	1.5
129.01842	2.6
138.25786	1.3
147.02855	2.7
151.00258	6.7
160.06316	3.1
161.04454	5.2
161.07127	15.4
163.00313	1.6
171.41803	1.3
173.00803	2.1
175.08711	10.1
178.99751	4.3
187.08640	1.6
189.06631	26.5
190.06940	2.0
191.01907	13.2
201.10226	1.8
203.08197	13.7
203.11819	2.9
226.02554	1.7
227.03548	2.1
229.09752	6.1
243.02959	5.5
245.04466	1.5
245.42841	1.2
255.02963	15.0
256.03296	1.5
271.02454	34.7
272.02844	3.0
299.02148	1.8
300.02731	72.3
301.03470	32.6
302.03815	1.3
304.09314	1.3
305.11462	19.8
323.12482	68.9
324.12811	5.4
343.64432	1.2
365.13504	11.5
405.16388	2.7
436.86401	1.3
437.72449	1.5
462.07620	1.5
463.08795	100.0
464.08948	9.9
467.11868	3.2
467.16937	30.5
468.17044	2.9
489.14944	1.4
519.90668	1.5
577.19220	1.3
756.95355	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	922.5217
Annotation	Unknow
Peak:m/z	Relative Intensity
68.94491	0.5
71.13125	0.5
71.13469	0.9
73.25089	0.4
73.91844	0.4
78.95777	7.7
105.98505	0.4
110.98401	1.5
118.10336	0.4
140.01109	2.2
152.99503	1.6
167.01083	0.9
171.33929	0.5
185.02153	1.5
189.68410	0.4
196.03743	0.9
214.04834	2.5
240.53685	0.4
277.21725	34.5
278.22156	2.6
279.23294	100.0
280.23624	7.8
445.23648	13.7
446.24185	1.7
476.27826	40.5
477.28168	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	926.5534
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95777	24.6
98.19761	1.9
101.55061	0.8
107.28559	0.7
110.98398	1.9
121.99937	0.8
140.01097	5.6
152.99503	2.9
185.02167	2.2
196.03746	9.1
214.04823	2.4
230.40984	1.2
255.23299	0.9
279.23297	63.5
280.23669	5.4
280.26331	0.9
281.24863	100.0
282.25284	6.4
387.66330	0.8
447.25192	22.1
448.25476	2.2
478.29385	79.7
479.29861	6.4
619.35767	1.0
861.18872	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4845
Annotation	Unknow
Peak:m/z	Relative Intensity
66.66411	0.8
68.39639	0.8
78.95776	44.6
91.10742	0.7
96.96848	6.4
152.99493	59.6
153.99832	1.1
171.00578	1.7
180.01735	0.9
184.03220	0.8
223.00040	6.3
241.01181	15.0
257.38800	0.9
259.02234	1.5
265.55463	0.8
277.21716	30.5
278.22150	1.6
280.99335	1.1
315.04913	7.2
333.05856	1.3
355.02673	1.3
383.40024	0.8
545.90472	0.9
559.21271	1.0
593.27313	100.0
594.27820	9.1
667.25806	0.9
962.82306	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	922.5215
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95778	25.4
96.62029	0.5
110.98392	1.8
121.45210	0.5
140.01103	5.4
152.64926	0.5
152.99461	3.0
153.06424	0.5
157.88692	0.5
185.02119	2.4
196.03755	10.5
214.04874	2.6
277.21729	51.8
278.22009	3.8
279.23291	100.0
280.23636	6.4
316.29358	0.5
339.97028	0.5
402.63934	0.5
410.51611	0.6
421.25034	0.6
431.21689	0.8
445.23618	23.2
446.23810	1.9
476.27829	87.1
477.28250	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	921.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03313	2.6
69.54729	0.7
69.86916	0.8
71.01251	16.2
71.04882	1.5
71.57717	1.7
72.99165	1.5
73.02805	2.8
75.00735	1.1
78.61317	1.0
80.96387	1.1
81.03316	1.3
83.01250	2.3
85.02837	4.5
87.00735	6.1
89.02311	10.1
95.01245	0.9
95.04897	1.0
96.95949	1.0
97.02829	10.6
97.06459	2.4
99.00753	22.0
101.02324	8.8
105.14246	0.8
109.06473	1.2
110.03651	1.2
113.02330	5.6
116.92739	1.5
119.03371	1.9
123.07976	1.1
124.01508	0.9
125.02349	5.6
125.09605	6.9
135.08020	1.2
136.05199	1.2
138.73318	1.0
142.02589	2.6
143.03337	1.0
161.04443	1.8
161.09718	0.9
163.11174	10.4
181.12274	19.7
182.12704	1.0
199.13272	2.3
207.10205	53.9
208.10555	2.1
221.06668	1.2
225.11263	76.9
226.11540	4.1
235.08165	3.3
243.12344	24.8
255.23268	67.2
256.23587	4.0
263.07706	1.2
267.12177	0.9
379.12439	1.7
397.13455	9.0
415.14590	1.3
503.33798	1.0
582.66229	0.9
597.76538	0.9
605.24414	17.6
606.25012	2.1
623.25507	7.8
653.37347	1.5
861.48468	100.0
862.49066	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	921.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
65.96482	1.6
68.74228	1.6
71.56895	2.0
71.57220	1.7
75.19407	1.6
78.95778	69.1
95.61089	1.7
96.96855	8.8
101.98137	1.7
114.96050	1.5
134.82411	1.7
150.97945	3.4
152.99498	100.0
162.74257	1.8
165.78114	1.7
171.00572	4.2
222.88489	1.7
243.55783	1.5
277.21631	3.1
279.23080	3.2
431.22125	9.2
433.23456	9.0
569.23096	1.9
921.48956	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	921.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
71.06093	6.4
78.95786	23.7
93.03333	11.6
108.19881	2.7
119.04909	8.0
121.02848	89.6
122.03172	2.4
130.04169	19.1
131.04938	38.5
135.04385	4.9
143.04855	5.1
145.06474	4.5
147.04408	10.5
149.05988	11.6
150.18004	2.4
151.09985	2.4
152.99504	25.7
154.07805	2.3
157.06448	4.3
159.04433	3.5
160.05289	12.0
161.05937	4.8
165.05510	3.3
171.10110	3.2
173.05942	3.1
249.09109	5.6
267.10220	5.7
267.15997	3.1
271.24652	2.4
325.20309	16.6
327.21704	2.9
329.23239	5.4
377.12216	2.8
425.13837	3.0
433.23190	4.5
480.30597	2.8
484.39453	2.8
575.20105	3.0
617.19843	3.5
679.23566	2.6
703.23132	3.1
733.26422	4.7
811.29163	6.0
829.29907	8.4
841.30432	11.5
853.29230	3.6
859.31183	7.7
860.32556	3.5
871.30798	8.5
891.33984	100.0
892.34149	22.3
903.33917	54.8
904.34540	11.5
921.34821	90.2
921.48907	3.0
922.34937	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.4692
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03322	3.3
71.01258	27.5
72.99168	3.3
73.02817	3.2
78.95776	3.8
79.95599	10.4
80.96397	34.2
82.95972	5.0
85.02818	9.9
87.00748	5.7
89.02322	14.0
91.96180	2.6
94.09638	2.9
94.97952	7.3
96.95890	10.2
97.02819	9.3
101.02322	18.0
106.97968	2.6
111.00700	2.9
111.08021	6.8
113.02305	5.9
116.92731	4.0
121.02823	3.7
125.02301	7.0
133.04941	4.5
143.03418	4.6
148.99059	3.4
161.04420	5.7
164.98622	3.2
165.12767	3.4
169.12236	3.6
171.10178	100.0
179.05568	4.4
180.83751	2.5
197.11786	21.3
201.11317	5.2
209.11719	9.3
210.12074	4.1
211.13332	4.0
225.00668	9.0
235.08197	7.7
247.20721	3.4
253.09311	3.3
267.35876	2.9
291.19644	32.5
292.20349	3.8
309.20694	91.3
310.20908	6.7
334.94244	3.0
379.12512	6.3
397.13495	37.1
398.13794	6.1
415.14459	13.0
569.24457	8.2
624.62250	3.2
633.48993	3.6
689.34039	3.9
707.34747	5.2
920.46777	2.9
921.48151	48.7
922.48517	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	920.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58010	2.4
74.68668	1.4
78.95773	17.5
92.80658	1.6
110.98440	2.4
121.78553	1.4
127.94634	1.5
140.01044	2.4
144.66139	1.7
149.71756	1.6
152.99504	2.5
167.01067	1.8
185.02048	2.1
196.03772	1.8
214.04820	2.4
221.77550	1.7
255.23262	100.0
256.23605	6.0
277.21732	48.6
278.22125	4.1
445.23590	24.4
452.21490	2.2
452.27856	40.7
453.27945	2.2
687.76044	1.6
920.49829	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	921.35
Annotation	Unknow
Peak:m/z	Relative Intensity
70.21016	5.5
71.57386	5.4
71.57774	6.8
72.07498	3.9
78.95795	26.8
81.18581	4.4
93.03331	13.7
96.95869	4.9
103.05379	5.4
113.33014	4.1
119.04918	8.1
121.02849	31.1
130.04134	19.1
131.04155	4.7
131.04948	50.5
135.04341	7.5
143.04901	9.5
147.04417	10.2
149.05966	15.3
152.99481	49.8
160.05188	6.0
161.06076	5.6
186.78978	4.1
279.23108	5.2
295.00140	4.8
307.34479	4.5
327.21863	12.2
342.92551	4.3
397.14471	7.4
427.15530	7.6
433.23611	5.1
461.60413	4.2
508.94550	4.4
655.19641	5.4
841.30591	13.3
859.31903	12.9
861.33344	22.8
862.34082	7.2
871.30896	9.9
873.32300	36.2
874.32874	5.8
885.32648	17.7
891.33972	100.0
891.62292	6.1
892.33881	16.9
903.33673	35.4
921.34845	89.9
922.35364	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01234	10.9
71.56939	1.4
73.02806	2.7
78.95787	3.2
78.98450	9.1
79.95611	16.8
80.96389	90.5
82.95293	3.1
85.02835	4.2
87.00741	4.3
93.02772	1.7
93.04457	3.9
94.97964	19.2
96.95880	4.9
97.02847	2.1
101.00139	1.6
101.02341	4.1
106.97952	5.1
122.97495	2.9
125.02312	3.8
134.97462	6.5
136.98898	2.1
148.99014	7.1
152.98457	9.4
154.06122	10.1
164.98552	16.2
183.01141	7.3
184.01520	1.9
197.02715	17.1
198.03091	2.3
206.99673	3.3
209.11691	2.4
225.00671	28.1
226.01064	2.9
230.02380	2.7
255.23293	3.1
282.85800	1.6
309.20416	1.8
310.20993	2.0
311.16895	16.6
312.17117	3.1
325.18408	80.1
326.18723	28.9
327.18076	4.5
397.13373	1.9
509.16708	3.2
529.12531	1.8
537.26874	2.1
562.03741	1.7
765.41180	9.7
835.90552	2.1
870.29211	2.1
920.47937	100.0
921.48450	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	920.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01234	10.9
71.56939	1.4
73.02806	2.7
78.95787	3.2
78.98450	9.1
79.95611	16.8
80.96389	90.5
82.95293	3.1
85.02835	4.2
87.00741	4.3
93.02772	1.7
93.04457	3.9
94.97964	19.2
96.95880	4.9
97.02847	2.1
101.00139	1.6
101.02341	4.1
106.97952	5.1
122.97495	2.9
125.02312	3.8
134.97462	6.5
136.98898	2.1
148.99014	7.1
152.98457	9.4
154.06122	10.1
164.98552	16.2
183.01141	7.3
184.01520	1.9
197.02715	17.1
198.03091	2.3
206.99673	3.3
209.11691	2.4
225.00671	28.1
226.01064	2.9
230.02380	2.7
255.23293	3.1
282.85800	1.6
309.20416	1.8
310.20993	2.0
311.16895	16.6
312.17117	3.1
325.18408	80.1
326.18723	28.9
327.18076	4.5
397.13373	1.9
509.16708	3.2
529.12531	1.8
537.26874	2.1
562.03741	1.7
765.41180	9.7
835.90552	2.1
870.29211	2.1
920.47937	100.0
921.48450	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	919.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
68.15762	0.9
69.03334	1.1
71.01256	100.0
71.28271	1.6
72.01573	1.1
72.99191	2.5
73.02832	3.7
78.95780	2.8
79.95617	4.1
80.96397	17.7
81.03347	2.0
82.95294	1.1
83.01273	2.8
84.02039	0.8
85.02828	8.3
87.00747	4.8
89.02315	15.8
90.27126	0.9
94.97970	4.0
95.01263	2.1
96.95890	6.3
97.02840	5.9
99.00754	2.4
101.02322	16.7
109.06480	5.3
111.00751	1.0
113.02328	8.8
119.03398	3.1
125.02325	7.1
125.09637	1.9
127.11181	1.2
131.03435	1.3
134.97484	1.0
135.08147	0.8
143.03421	2.5
143.47356	0.9
145.19226	1.0
148.99040	1.4
152.98457	1.5
152.99579	1.6
154.06195	1.8
155.10715	1.7
161.04471	3.9
163.11258	3.0
164.98576	2.2
171.10190	47.9
172.10555	1.8
179.05557	4.3
181.12277	2.3
183.01129	2.1
197.02661	4.9
197.11716	1.5
199.09715	8.3
199.13426	1.3
201.11264	9.7
207.10217	15.4
209.11813	3.1
211.13380	2.1
215.12865	1.3
221.06586	2.5
225.00841	5.5
225.11299	11.6
230.02953	0.8
235.08194	6.0
241.01236	1.1
243.12317	1.7
253.09254	2.9
277.21738	62.0
278.22098	4.6
309.20816	1.4
311.16797	4.9
313.84283	0.9
325.18427	27.6
326.18692	4.7
379.12418	4.9
390.95923	1.1
397.13507	39.3
398.14066	2.1
405.27014	1.1
415.14594	8.9
605.24005	1.8
623.25397	1.3
721.54279	1.3
857.44543	1.7
883.47247	7.6
884.48138	2.1
907.98962	1.3
919.48505	12.9
920.48083	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	919.491
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99697	1.7
69.03317	1.6
70.91950	1.7
70.92290	2.4
71.01251	100.0
72.99168	2.5
73.02805	4.4
75.44160	0.9
78.95767	3.1
79.95605	2.0
80.96394	8.7
81.03339	2.3
82.95251	1.2
83.01264	2.7
83.04862	1.0
85.02821	6.0
87.00722	7.1
89.02316	18.5
94.97955	2.0
95.01268	2.1
96.95888	3.7
97.02838	5.5
99.00753	3.5
101.02312	19.5
109.06446	4.6
111.04403	1.6
113.02329	8.9
119.03384	7.0
125.02335	6.4
125.05988	1.0
125.09601	3.8
127.11168	3.3
133.44940	1.0
135.08029	1.2
136.27890	0.8
137.09581	1.2
143.03403	3.3
148.99025	1.3
155.10641	1.4
161.04436	3.9
163.11188	4.0
164.98468	1.5
168.54149	0.9
171.10168	46.9
172.10558	2.0
179.05531	5.3
181.08649	1.2
181.12279	2.8
183.01111	1.8
185.11821	1.4
197.02679	8.1
197.11726	2.0
198.03432	1.4
199.09682	9.2
199.13354	1.6
201.11240	14.6
202.11497	1.2
207.10208	19.5
209.11882	1.2
211.13353	1.2
217.90862	1.0
221.06584	1.9
223.91142	0.9
225.00668	4.0
225.11279	14.7
235.08192	5.4
241.01025	1.3
243.12468	2.3
253.09276	2.4
263.07669	1.0
277.21704	61.0
278.22046	4.0
287.07617	1.4
305.08578	1.4
311.16864	6.5
323.09735	1.2
325.18411	42.1
326.18805	5.4
327.18243	1.8
379.12366	3.7
397.13486	33.3
398.13867	3.0
415.14587	10.0
605.24139	2.1
623.25293	2.2
666.93781	1.3
857.45807	1.4
883.47034	10.3
884.47443	2.8
901.47992	2.2
901.63983	1.1
919.48584	19.5
920.48163	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	917.5172
Annotation	Unknow
Peak:m/z	Relative Intensity
73.46908	0.3
78.95780	11.8
96.96824	1.3
102.69072	0.3
110.18513	0.4
112.14911	0.3
152.99498	20.8
153.99773	0.3
171.00572	0.9
227.03249	2.6
229.76123	0.4
236.90443	0.3
237.22176	0.3
245.04277	1.5
255.23285	100.0
256.23618	5.5
279.23334	4.2
297.24380	0.6
311.16791	1.0
433.23544	1.9
447.25043	2.0
483.27304	79.7
484.27646	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	919.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96107	2.3
69.03324	2.1
71.01246	14.3
73.02817	3.4
75.00750	1.0
76.41376	0.9
78.95785	2.1
78.98460	7.3
79.95599	26.9
80.96388	96.8
81.03331	1.5
82.95299	1.3
83.04897	1.6
85.02807	5.4
87.00751	4.9
89.02328	2.8
94.97958	21.0
96.95872	8.0
97.02840	3.8
98.20170	6.2
99.00769	1.5
100.64816	0.9
101.02309	6.4
106.97968	5.5
113.02325	2.5
116.92779	2.1
119.03381	1.4
122.97470	4.1
125.02328	4.9
125.09590	1.0
127.03864	1.0
134.97478	6.8
136.99074	2.0
148.99031	6.9
152.98512	7.9
155.60378	0.9
161.04442	1.1
164.98538	17.6
171.10165	8.7
172.10341	1.0
173.23773	0.8
183.13913	2.1
185.11761	1.2
195.13843	1.3
197.11699	2.1
199.09540	0.9
201.11281	3.0
206.99606	4.8
207.10208	2.5
209.11751	4.5
210.12094	1.2
211.13405	2.1
225.00691	28.1
225.11259	3.0
227.12804	1.6
229.32509	1.4
235.08237	1.7
283.04904	2.2
289.17975	1.8
291.19736	1.5
293.21277	4.5
294.21594	1.8
295.22586	2.9
302.56143	1.0
307.18918	1.7
309.20697	8.0
310.21225	1.5
327.21954	1.5
397.13431	4.9
398.13879	1.3
399.14056	1.1
415.14548	1.8
460.89291	1.2
591.24683	1.4
609.25989	1.8
919.47327	100.0
920.47595	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	919.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
66.75266	1.3
68.38015	1.2
69.03336	1.6
69.57706	9.4
71.01250	100.0
72.99186	4.0
73.02813	5.6
75.00779	2.0
78.95783	3.4
79.95610	3.0
80.96391	6.8
82.95277	3.7
82.95956	1.5
83.01273	3.9
84.00002	1.2
85.02818	7.9
87.00759	8.3
89.02311	18.3
94.97956	2.3
95.01284	2.2
96.95897	5.0
97.02825	7.1
99.00764	3.9
101.02316	19.9
109.06472	6.6
113.02320	10.1
115.03894	1.2
119.03390	4.8
123.92248	1.2
125.02356	8.1
125.09592	2.2
127.11149	3.5
134.43770	1.2
135.08110	2.2
143.03400	4.0
152.99510	1.7
153.09108	1.5
155.10660	2.6
161.04485	5.7
163.11197	5.0
171.10178	67.0
179.05524	4.9
181.08687	1.6
181.12294	2.7
183.01086	2.2
185.11757	1.8
197.02745	4.4
197.11761	2.9
199.09712	14.0
199.13242	2.9
201.11258	29.0
207.10197	25.6
208.10648	1.7
209.11719	3.1
211.13254	1.5
215.12898	2.1
221.06725	2.2
225.11285	21.4
235.08147	6.8
241.01137	1.4
243.12364	2.9
245.83012	1.4
253.09116	2.0
277.21719	54.5
278.22052	4.4
291.19620	1.8
293.21143	3.1
297.15384	2.4
301.15924	4.1
309.20648	2.5
311.16782	6.9
323.16843	1.7
325.18420	22.3
326.18832	2.4
379.12567	3.4
397.13531	32.5
398.13748	2.5
415.14404	10.1
416.14651	1.5
579.22461	1.7
605.24481	1.8
623.25519	4.0
625.25122	1.5
857.45728	2.4
883.47009	11.7
884.48059	3.3
901.47888	3.9
919.48755	25.1
920.49359	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	917.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
70.87719	2.0
71.15317	0.6
71.70097	0.6
78.95782	9.7
95.81324	0.7
110.98402	4.1
152.73476	0.8
152.99490	2.9
156.79152	0.6
167.01028	1.9
169.05753	0.7
185.02122	3.6
244.70804	0.8
255.23285	3.7
279.23285	100.0
280.23608	7.0
295.22684	1.7
307.85074	0.7
385.60892	0.6
447.25159	38.4
448.25519	2.9
483.27283	4.8
536.48212	0.7
878.25726	0.9
917.49420	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	917.4755
Annotation	Unknow
Peak:m/z	Relative Intensity
66.55271	0.3
68.99686	0.7
69.03321	1.9
71.01256	19.0
71.21087	0.8
72.01582	0.4
72.99176	1.6
73.02811	3.2
77.55080	0.3
77.95020	0.3
78.95790	0.5
80.02544	1.2
80.74751	0.4
80.96397	2.9
81.03327	2.3
83.01268	1.9
83.04900	6.6
84.02032	0.9
85.02831	5.3
87.00749	3.4
89.02315	13.1
93.03329	0.7
94.97947	0.5
95.01278	2.0
95.04882	1.0
96.95882	1.5
97.02823	5.0
97.06488	0.9
99.00768	1.3
101.02324	13.2
101.02991	0.7
109.02837	0.4
109.06483	0.9
110.45339	0.4
111.00752	0.4
111.04378	0.3
111.08045	6.1
113.02332	8.4
119.03388	3.7
121.02818	0.5
123.04424	0.4
123.08085	0.5
125.02335	6.3
125.05975	1.0
125.09604	1.1
127.07536	0.8
131.03378	1.4
134.97525	0.4
135.08072	0.8
137.09567	0.9
139.03897	0.4
141.01831	0.5
143.03398	1.9
149.04514	0.5
151.11235	0.8
153.12784	1.0
161.04472	4.0
163.11209	6.0
164.11574	0.4
164.98627	0.4
165.12758	5.2
166.09888	0.4
169.12297	2.4
171.10188	6.7
179.05536	4.6
179.10773	0.6
181.12251	2.1
183.13791	1.1
185.11789	0.8
188.46283	0.4
191.10696	1.3
193.12268	0.5
195.13853	1.1
196.92252	0.5
197.11769	24.7
198.12152	0.9
199.13300	1.8
201.11237	2.0
207.10204	1.5
209.11774	100.0
210.12115	4.5
211.13336	5.9
217.07024	0.7
221.06656	1.5
223.13289	1.2
223.16949	0.4
225.11302	4.5
225.14870	0.7
227.12845	14.7
228.13191	0.6
229.14467	0.9
235.08202	5.4
243.12318	0.8
245.19156	0.4
247.20639	1.4
251.12900	0.7
253.09196	1.3
263.07837	0.6
263.20157	1.2
265.18137	0.7
273.18628	1.4
275.20129	1.0
287.07681	1.8
289.18091	0.5
291.19678	21.8
292.19946	1.6
293.21222	9.9
294.21625	0.5
305.08801	2.0
309.20724	68.0
310.21106	4.6
323.09866	1.2
325.20328	1.1
327.21716	0.5
379.12512	3.5
397.13510	39.3
398.13950	1.8
415.08951	0.7
415.14560	14.5
416.14874	0.9
501.31931	0.9
519.33295	0.4
555.66138	0.4
569.24817	0.4
589.24463	0.5
607.26300	2.1
623.24561	0.4
625.26672	0.5
668.88153	0.5
689.34235	1.0
707.35010	1.4
899.46552	1.1
917.46674	4.0
918.44733	0.6
939.89087	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00191	0.3
69.61313	0.9
69.61723	0.7
85.02901	0.3
87.50635	0.3
107.01267	0.4
108.02030	0.3
125.02304	0.3
127.73124	0.2
135.00748	0.3
136.70485	0.3
144.43472	0.2
149.02444	0.2
151.00284	3.0
155.75826	0.3
163.00259	0.9
169.01387	0.3
174.03023	0.3
178.99794	2.0
186.69711	0.3
188.04739	0.5
190.02632	0.4
190.99777	0.3
198.03183	0.3
199.03923	0.7
203.94548	0.2
206.96667	0.2
216.04207	0.5
226.02661	4.2
227.03470	1.8
228.04044	0.4
243.02950	9.3
244.03294	0.8
254.02167	3.6
255.02953	4.0
256.03415	0.4
271.02469	41.7
272.02963	3.5
299.02036	1.6
300.02722	48.3
301.03421	9.1
343.04532	0.7
343.08789	0.2
386.26245	0.3
462.07928	0.7
463.08807	100.0
464.09070	7.0
522.67719	0.3
528.21521	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.46
Annotation	Unknow
Peak:m/z	Relative Intensity
68.54574	0.5
68.99664	0.7
69.03341	3.9
70.80691	2.0
71.01252	25.9
71.04896	2.2
72.99161	2.3
73.02816	4.1
75.00725	0.6
79.95587	0.9
80.02548	1.5
80.96396	3.3
81.03333	3.0
83.01263	3.8
83.04895	6.1
84.02047	0.9
85.02832	6.5
87.00753	6.4
89.02314	17.3
94.97917	0.9
95.01266	1.7
95.04907	1.8
96.95889	2.7
97.02840	5.0
97.06496	3.1
98.16306	0.5
99.00763	2.2
101.02326	16.3
109.06460	2.1
111.08032	1.8
113.02330	10.0
119.03406	3.9
121.02793	0.7
121.06499	0.8
123.04377	1.1
123.08029	1.2
125.02328	5.2
125.05954	1.1
125.09608	3.7
131.03419	1.1
135.08035	1.1
137.09612	1.3
139.03825	0.8
141.01797	0.7
142.02589	0.6
143.03412	2.9
151.11194	2.6
153.12732	1.6
161.04410	3.0
161.09621	1.9
163.11191	8.0
164.98558	1.0
165.01888	0.8
165.12727	3.5
171.10152	2.3
178.09908	0.8
179.05537	4.3
179.10689	2.9
181.12231	3.0
183.13763	0.7
185.11800	3.1
191.10641	2.0
191.14313	3.9
195.13840	2.7
197.11769	34.0
198.12021	0.9
199.13290	0.8
207.10204	4.6
209.11769	100.0
210.12109	4.6
211.13307	2.9
221.06581	2.8
223.09750	0.9
223.13399	1.4
224.26703	0.7
225.00694	0.8
225.11272	5.9
227.12827	14.5
234.16016	0.6
235.08134	4.2
237.11298	1.6
241.10699	2.9
242.02019	0.8
245.19041	6.7
253.09235	2.0
259.08380	0.6
259.13303	0.9
263.20126	1.9
275.20294	1.0
287.07626	1.3
289.18094	30.5
290.18430	1.5
291.19629	2.3
293.21262	6.5
305.08755	1.1
307.19150	32.7
308.19473	2.1
309.20740	3.7
310.20950	0.6
313.03546	4.1
314.04227	1.7
315.05121	0.8
327.21722	0.8
342.70825	0.6
379.12314	1.7
397.13501	27.1
398.13745	1.5
415.14548	10.9
463.41153	0.6
499.30569	0.7
503.98151	0.7
607.26019	1.5
622.15649	3.8
623.15405	0.8
623.24841	0.8
653.98877	0.6
687.32379	1.6
704.07440	0.8
705.33221	1.1
799.37537	1.4
817.37872	1.1
897.45361	1.7
915.45880	63.1
916.46423	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	913.5174
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03337	6.7
71.01250	18.0
75.00758	5.4
78.95772	14.6
80.96395	12.4
81.03340	4.6
83.01293	6.5
83.04895	6.6
85.02820	19.8
87.00757	6.2
88.74395	3.7
89.02321	14.9
96.95897	11.8
97.02821	8.7
97.06468	5.8
101.02341	11.7
110.53822	4.2
113.02380	9.7
125.09586	7.0
135.08087	4.1
137.98735	3.7
141.01630	4.9
152.99467	8.6
163.11224	6.6
171.10176	45.4
185.11732	9.1
191.14359	5.9
195.13824	11.7
197.11754	9.2
201.17892	3.5
207.10217	4.9
209.11769	16.3
211.13326	12.6
221.11903	20.2
223.13322	10.1
235.08205	9.3
239.12848	20.2
241.01172	5.1
245.19044	13.0
253.09251	42.1
277.21808	10.3
289.18106	46.8
290.18607	4.9
291.19586	11.5
293.21240	27.9
297.15283	19.2
307.19189	64.7
308.19370	8.3
309.20856	36.0
325.20175	13.1
327.21774	100.0
328.22009	6.3
332.72949	3.9
397.13455	20.1
537.94757	4.1
561.29962	5.0
593.27258	13.4
637.27417	4.4
853.50458	6.0
860.62836	4.1
913.46600	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	913.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03311	5.1
71.01253	22.5
71.04899	0.6
71.58342	0.9
72.99186	1.7
73.02818	3.0
80.96412	1.0
81.03349	1.1
83.01281	2.2
83.04918	1.4
85.02821	6.4
87.00761	5.1
89.02319	16.8
91.03917	0.6
93.03372	0.7
95.01270	1.7
95.04929	0.7
96.95898	1.2
97.02824	6.1
97.06464	1.0
99.00771	1.3
101.02325	15.6
109.06463	1.4
111.00748	0.7
111.08041	7.7
113.02331	8.5
116.92824	0.6
119.03421	4.9
121.02828	0.7
121.49413	0.5
125.02349	5.6
125.09615	1.1
131.03343	0.6
137.09604	1.4
139.03903	0.5
141.09093	0.6
143.03395	2.8
149.09657	0.9
151.11136	0.8
153.09125	0.7
153.12767	0.9
161.04434	3.1
163.11188	1.4
165.12796	2.0
167.10712	2.8
169.12270	3.9
171.10207	3.1
177.12778	0.8
179.05519	5.1
179.10684	2.2
179.14365	3.1
181.12207	1.8
183.13869	1.1
187.11360	0.5
193.16058	0.6
195.13846	10.4
197.11765	40.9
198.12085	1.9
199.13318	1.8
205.12285	8.3
207.10249	0.9
209.11765	2.3
211.13326	6.0
221.06621	2.4
221.11755	0.8
223.13351	80.2
224.13695	4.7
225.14960	1.5
227.12927	2.3
235.08112	4.9
239.12804	0.6
247.20613	1.6
253.09286	1.7
263.07510	0.8
263.20172	1.8
265.18127	1.4
273.18509	1.6
287.07687	1.3
289.17944	0.9
291.19669	26.5
292.19986	1.8
293.02133	0.5
293.21259	0.7
297.15247	1.9
298.15848	0.7
305.08762	1.8
307.19019	0.9
309.20706	100.0
310.21017	7.9
323.09711	1.5
325.20050	0.8
327.21671	0.7
333.20483	0.7
379.12646	3.5
379.16714	0.7
388.78238	0.7
397.13489	42.2
398.13831	2.8
415.08981	0.9
415.14563	17.6
416.14697	0.7
515.33740	1.6
595.25793	0.7
603.26306	3.2
621.27655	9.0
622.28021	1.3
689.34058	3.2
690.34747	0.7
707.35089	3.5
708.35931	0.7
790.28802	0.6
913.47943	2.9
914.46783	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.461
Annotation	Unknow
Peak:m/z	Relative Intensity
63.63265	0.3
69.26598	0.4
69.27003	3.2
76.10339	0.3
78.95775	9.7
104.97314	0.5
110.98414	5.7
112.69065	0.3
152.99483	1.0
165.11285	0.3
167.01062	3.1
185.02138	3.9
195.13879	1.5
233.22562	0.4
259.20764	0.5
275.20157	0.5
277.21716	100.0
278.22055	5.9
295.22763	11.0
445.23590	41.7
445.82486	0.4
446.23935	3.2
745.44250	0.5
913.45752	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	912.5372
Annotation	Unknow
Peak:m/z	Relative Intensity
64.51797	0.2
71.57816	0.3
71.58186	0.3
73.29099	0.3
75.85132	0.2
78.95777	57.6
80.02397	0.3
86.60305	0.3
94.80404	0.3
95.55465	0.3
96.96843	6.4
127.55645	0.3
134.98424	0.3
139.41377	0.3
140.01091	1.2
150.97925	1.7
152.99493	100.0
153.99844	1.1
171.00557	4.2
196.03746	2.8
196.86603	0.2
214.04764	0.7
279.23346	0.8
281.24857	29.3
282.25159	1.7
312.48138	0.2
433.23587	37.2
434.23880	3.6
470.51648	0.3
478.29382	27.4
479.29709	2.0
677.62555	0.3
922.56970	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	912.5382
Annotation	Unknow
Peak:m/z	Relative Intensity
71.28822	0.8
75.59422	0.4
78.95779	68.4
96.87025	0.4
96.96841	5.1
140.01083	1.2
150.97964	2.1
152.99495	100.0
153.99844	1.4
157.17409	0.4
171.00520	3.2
189.86488	0.4
196.03693	2.6
214.04846	0.8
272.49469	0.4
277.14218	0.4
279.23361	1.2
281.21600	0.4
281.24866	30.8
282.25259	2.4
433.23590	44.3
434.23837	3.6
478.29416	26.8
479.29575	2.8
760.46545	0.4
874.95953	0.4
889.87598	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.372
Annotation	Unknow
Peak:m/z	Relative Intensity
68.62630	0.8
70.81947	1.7
71.01257	3.4
73.02818	1.1
80.04958	1.0
85.02806	1.3
86.33574	0.7
89.02309	1.0
93.03338	28.2
94.06500	2.1
96.95892	3.0
99.52773	0.8
101.02306	1.1
105.05708	2.3
106.06509	10.8
107.03658	5.1
108.08072	58.2
109.08418	1.5
111.70935	0.8
113.02364	1.1
115.86869	0.8
119.04865	0.7
120.04437	1.5
120.08082	92.3
121.05215	1.7
121.08411	2.3
122.06007	92.1
123.06344	2.0
127.51562	0.8
130.02872	4.8
131.03636	1.1
132.04443	2.5
132.08095	1.1
134.06023	3.6
134.09677	2.1
136.07570	8.9
137.04713	1.8
144.04457	1.2
148.03929	2.2
148.07549	0.9
150.05470	1.1
150.09155	1.0
152.07079	78.2
153.07411	2.1
158.02373	21.3
159.02719	0.9
160.03941	2.4
162.05600	1.3
164.07071	12.7
166.08659	4.3
172.03973	0.7
176.03432	6.3
177.44373	1.1
188.03510	0.7
190.05022	100.0
191.05382	2.4
192.06586	2.8
194.08163	2.0
195.97043	0.7
198.09190	0.9
202.04996	4.8
203.05876	1.8
204.06725	0.8
208.90363	0.7
209.11757	1.0
210.09164	8.0
211.09875	1.1
212.10719	1.1
221.10722	1.3
224.10757	3.0
226.12326	65.5
227.12654	3.5
237.10405	1.1
239.12027	0.9
240.10428	1.3
240.12668	2.8
243.14998	4.2
249.10326	1.0
251.08147	1.1
251.11954	2.3
253.13361	1.2
255.14990	14.3
258.11337	0.9
263.08307	1.1
264.09006	1.7
265.09885	1.2
270.11356	8.9
271.11530	0.8
277.09821	3.0
279.11377	6.8
281.12994	2.9
284.12988	1.0
287.14014	20.4
288.14301	0.9
291.11526	2.1
295.11002	1.1
305.09180	1.6
309.12384	1.1
311.14005	31.4
312.14313	2.4
322.44611	0.8
323.10306	2.9
337.11920	22.6
338.12222	2.5
355.12964	45.6
356.13354	3.0
358.19318	1.1
384.17099	1.0
393.18234	12.6
397.14005	4.5
399.19781	1.3
400.20303	3.3
401.21362	1.2
426.18188	0.9
427.19202	4.3
444.19550	2.2
445.19995	7.9
476.21979	0.9
485.15555	2.6
517.18268	72.9
518.18433	6.3
538.23584	2.5
549.25000	1.5
567.26080	8.6
570.25977	11.0
593.24054	5.7
594.24823	1.1
599.28748	11.5
600.29077	1.7
611.25787	1.3
612.69904	0.9
614.25116	3.4
625.26733	8.2
643.27704	4.4
656.26685	0.8
677.30145	1.7
682.26031	1.3
705.32990	22.1
706.33832	3.9
749.32025	8.2
750.32281	1.6
773.30316	7.9
774.30841	1.3
805.32697	4.4
806.32825	0.9
810.03821	0.9
911.37201	49.9
912.37628	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	908.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
64.73790	0.3
78.95779	61.1
83.35520	0.3
84.40562	0.3
90.11049	0.3
96.96840	6.1
98.20577	0.7
120.32005	0.3
140.01125	0.7
150.26855	0.3
150.97891	2.0
151.07176	0.3
152.99493	100.0
153.99860	0.9
171.00583	3.3
177.55930	0.3
196.03705	0.4
214.04854	1.1
229.97192	0.5
277.21869	1.0
279.23288	38.4
280.23605	3.0
431.21997	35.3
432.22318	3.0
476.27841	18.1
477.28204	1.3
636.19019	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58024	0.4
79.95633	0.8
80.96400	0.5
96.95903	0.3
116.37284	0.2
119.04948	0.3
121.25955	0.2
157.82245	0.2
170.00328	0.3
183.01126	16.2
184.01854	1.7
197.02699	12.4
198.03311	1.0
211.04369	0.3
216.00896	0.9
225.05791	0.4
230.02461	1.0
239.07422	0.5
273.90073	0.2
277.21793	0.3
310.26633	0.2
325.18402	100.0
326.18753	8.2
355.98129	0.3
488.04651	0.3
909.43970	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	12.3
71.57636	0.8
72.99181	2.2
73.02806	0.7
79.95628	0.9
80.04921	1.0
81.03342	0.5
83.01273	1.1
85.02825	3.2
87.00768	1.4
89.02321	10.2
89.50648	0.5
93.03338	17.8
94.03639	0.5
94.06495	1.7
95.01270	0.8
96.95264	0.9
96.95893	16.7
99.00764	0.8
101.02331	7.5
103.01785	0.7
104.04926	0.5
105.05749	2.1
105.22328	0.6
106.06509	1.4
107.03648	4.3
108.04430	0.8
113.02339	4.9
116.04980	0.6
118.06538	0.6
119.03384	4.5
120.04454	1.5
120.08080	68.6
121.05220	1.4
121.08436	2.1
122.06010	66.7
123.06359	1.7
130.02859	2.9
132.04453	1.8
134.06021	16.7
134.09636	1.7
136.07587	5.7
137.04684	1.3
143.03326	0.5
146.06029	1.7
147.03128	1.0
148.03923	1.5
150.05499	2.1
152.07092	11.0
158.02386	12.6
158.06078	0.7
160.03960	2.8
161.04549	0.6
164.07091	7.9
175.02600	0.6
176.03429	4.4
179.05612	0.7
190.05026	57.2
191.03824	0.5
191.05385	2.2
192.06607	6.5
196.07509	0.6
202.04962	0.6
210.09152	6.2
215.11931	0.6
216.06491	0.9
224.10791	2.1
225.10521	0.4
226.12337	49.0
227.12672	2.4
228.06619	1.1
235.08659	0.6
237.10294	0.8
238.10724	0.5
239.11771	1.2
240.10231	0.8
240.12553	1.2
243.09059	1.0
243.15010	2.7
249.06526	1.1
249.10387	1.8
251.11810	1.0
255.15019	10.1
256.15359	0.8
258.11353	1.2
261.10437	0.6
262.07507	0.7
263.08264	2.7
264.08987	1.5
265.09860	1.7
270.11368	6.9
276.09247	0.6
277.06473	0.9
277.09796	4.6
278.10626	1.2
279.11313	3.3
280.12027	0.6
281.09238	1.0
287.14026	14.8
288.14441	1.0
291.11530	0.9
293.09390	0.9
293.12756	0.5
294.09918	0.5
305.09311	7.3
306.09818	1.0
307.10788	0.6
309.08789	9.3
309.12448	3.9
310.09171	0.6
314.12506	3.4
322.09586	1.8
323.10275	1.5
324.11200	0.6
337.11935	48.9
338.12402	3.0
339.13306	0.7
355.12943	1.2
357.14429	1.1
358.15680	0.5
372.16907	0.6
373.15549	0.8
393.18152	5.9
472.18588	0.6
485.15421	2.4
489.19171	0.8
490.19592	0.8
517.18256	100.0
518.18591	9.5
519.63837	0.5
552.75439	0.6
650.22662	0.8
651.24072	1.4
682.26361	1.8
683.26849	0.7
716.28235	0.8
744.27350	2.9
745.27167	0.6
761.34491	0.9
772.39801	0.5
773.30450	16.5
774.31061	2.3
776.30365	9.2
777.30670	1.7
805.33051	13.5
805.47870	0.6
806.33026	3.0
807.32404	0.9
839.35364	1.2
911.37292	42.6
912.37488	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	907.6485
Annotation	Unknow
Peak:m/z	Relative Intensity
63.49645	0.1
69.03310	0.2
71.04881	0.3
81.03314	1.1
83.04423	0.1
83.04890	2.5
84.02028	0.3
85.02831	0.6
100.27828	0.2
111.00762	0.3
122.99332	0.1
125.09608	1.3
126.05410	0.2
127.11166	2.3
134.54279	0.1
155.14299	0.6
165.12749	0.5
167.14299	1.2
171.10172	2.6
181.12224	0.2
183.13852	1.1
185.07129	0.2
190.08353	0.1
191.01958	0.3
193.12262	0.6
209.11761	2.3
211.13342	7.8
212.13725	0.2
224.17574	0.3
225.16005	1.9
227.12836	0.2
229.14401	100.0
230.14737	4.6
276.14862	0.2
367.27130	0.3
385.28296	0.3
433.31744	0.3
450.34534	0.3
451.32825	1.5
659.48676	0.3
677.49664	34.4
678.49957	5.7
877.58081	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57577	0.4
78.95776	77.0
96.96830	6.0
102.72890	0.4
140.01100	2.3
140.12286	0.4
150.97932	1.9
152.99489	100.0
153.99821	0.7
154.58447	0.5
171.00542	2.5
196.03799	3.5
204.43515	0.4
214.04785	1.0
277.21692	1.9
279.23285	34.9
280.23627	2.5
296.34631	0.4
299.78214	0.4
431.22015	48.6
432.22406	2.9
473.10895	0.4
476.27823	28.2
477.27924	1.8
477.58975	0.5
569.76556	0.5
894.41241	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
68.86209	0.8
69.46470	8.6
71.01243	6.2
80.04922	1.5
85.02807	2.8
89.02319	2.1
94.06495	20.0
95.01253	1.9
101.02325	4.1
104.04919	2.5
106.06507	6.6
108.04431	5.2
113.02345	3.2
117.27184	1.1
122.05941	1.4
124.07578	21.6
132.04443	40.9
133.04816	1.6
135.52235	1.3
138.05484	2.2
144.04440	2.2
145.05205	1.5
146.06010	1.9
148.03958	3.0
150.05525	2.7
158.02368	1.8
160.03922	3.7
161.04471	1.5
168.06577	39.6
169.06944	1.4
176.03436	8.2
180.06657	6.2
182.08112	4.2
188.03484	3.5
189.04250	5.8
190.04997	19.0
191.05298	1.2
204.80411	1.0
208.06129	1.9
210.07607	1.9
221.03256	1.2
237.10287	17.9
239.11887	4.3
249.10478	1.0
251.11865	3.9
253.09775	1.5
254.08241	2.3
267.11343	5.9
269.10361	1.4
269.12927	19.3
270.13382	1.5
281.09335	3.0
283.10971	2.3
289.12012	6.1
295.10913	8.3
311.10376	20.9
313.11938	43.4
314.12302	2.9
316.61542	1.1
325.11670	2.4
331.13058	2.2
339.09854	13.2
355.09161	2.5
355.12943	5.6
357.10889	28.3
358.11401	2.3
371.12466	7.0
389.13513	44.9
390.13870	2.7
399.11902	2.6
431.01776	1.0
451.17130	3.7
475.17068	6.4
491.17212	1.1
519.16180	100.0
520.16504	11.5
533.17706	23.1
534.17926	2.5
551.18817	66.0
552.19312	8.9
601.01215	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01252	3.5
72.99191	2.8
73.02776	1.4
74.34007	1.1
75.00752	1.7
85.02827	17.2
93.03339	15.4
93.79189	1.1
96.95878	10.8
101.02328	2.6
109.02809	4.4
111.00803	1.2
119.04935	2.2
121.02795	1.7
129.01802	1.8
133.02843	2.5
135.04451	2.0
137.02347	3.6
139.03949	2.3
145.02872	3.1
147.00742	1.3
147.02881	3.4
149.02339	4.0
152.07040	1.6
155.10783	1.3
161.02289	2.4
161.04478	1.1
161.05937	1.8
162.02899	1.3
171.04454	3.9
175.00328	4.6
178.02654	2.7
179.03377	1.5
189.01845	1.3
189.05501	5.1
189.47795	1.3
191.01886	13.1
193.63216	1.2
197.06013	4.0
199.04124	1.8
209.02934	6.8
209.11844	1.2
211.03975	3.0
213.05537	2.0
215.03424	4.2
223.03963	2.2
224.04756	2.1
225.05530	7.8
225.10997	1.5
226.02682	1.2
227.03413	2.4
228.04076	1.1
229.05223	1.9
239.03412	14.7
240.04237	4.6
241.05009	11.9
242.05573	1.7
243.02853	1.1
243.06534	1.7
251.03471	2.8
252.04228	1.5
253.05006	6.8
254.02312	1.6
254.05727	2.4
255.02992	4.3
256.03674	7.5
257.04355	1.6
267.03030	4.4
268.03693	4.4
269.04529	23.1
270.05206	2.1
279.03012	4.7
280.03622	2.4
281.04517	11.7
282.05139	2.5
283.02472	4.8
283.05551	1.3
284.03159	6.4
285.03976	3.7
295.02405	4.3
296.03198	5.3
297.04013	24.2
298.04709	2.8
301.08685	1.7
304.06906	1.2
305.08188	1.5
306.07706	1.7
307.02493	3.6
309.04050	1.9
312.02866	4.0
315.06815	1.4
316.07205	1.4
317.08139	13.5
318.08429	1.7
319.09811	2.1
324.02625	1.5
325.03629	2.4
333.07639	4.3
334.08322	3.5
335.09021	1.9
343.21292	2.0
345.07541	5.4
346.08359	3.5
347.05542	2.4
347.09311	3.0
348.06219	1.9
349.07062	3.2
360.06552	1.4
361.07187	11.4
362.07715	6.7
363.08676	5.3
369.04498	1.6
370.05588	3.1
372.06366	1.6
373.07184	15.5
374.07675	3.5
375.04840	6.3
376.05511	1.8
377.06653	1.8
389.06656	66.5
390.07309	19.6
391.08234	9.2
399.05673	1.3
401.06549	1.9
417.06131	20.2
418.06894	72.7
419.07599	49.6
420.08167	4.1
455.11136	1.6
483.10767	3.5
511.10074	1.6
512.11066	65.0
513.11542	12.4
672.25177	1.5
706.28052	1.7
769.19800	94.9
770.20215	19.2
863.23969	100.0
864.24469	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.6572
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95310	0.7
78.95779	13.2
93.14404	0.4
96.96815	1.3
106.24979	0.5
141.12752	1.0
152.98314	0.8
152.99501	13.3
155.10687	12.0
255.42162	0.5
279.23300	19.2
280.23611	1.8
295.22754	4.1
296.23077	1.2
297.24350	100.0
298.24683	6.3
433.23611	5.7
434.23660	0.8
436.68246	0.4
447.25250	3.3
461.40359	0.5
605.40942	0.6
903.48590	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	905.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01249	8.9
71.57513	10.4
80.96370	7.3
83.50799	6.2
96.95856	13.1
171.10164	7.0
197.02682	13.4
256.23306	7.5
281.24835	9.6
304.62494	7.7
367.23062	100.0
368.23843	6.7
405.22400	8.5
905.47272	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	905.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
71.56472	4.7
78.95769	3.0
78.98785	2.9
79.95576	4.0
80.96366	3.1
96.95890	100.0
98.02343	4.5
98.95467	34.7
98.96266	5.1
99.00748	9.2
99.92487	3.3
115.91990	4.1
116.92696	3.8
133.17961	2.4
204.38292	2.7
267.06812	2.8
372.42209	2.8
478.37244	2.8
613.69458	3.3
755.71582	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	906.49
Annotation	Unknow
Peak:m/z	Relative Intensity
63.35459	0.4
70.19969	1.3
76.88156	0.4
77.96889	0.4
78.95779	66.3
79.44589	0.5
81.12782	0.4
96.96844	6.8
98.17995	0.4
121.72147	0.5
140.01086	1.9
150.97943	2.3
152.99495	100.0
153.99869	0.8
171.00566	4.2
174.52127	0.5
196.03769	2.5
214.04663	0.7
255.21651	0.5
277.21725	19.6
278.22006	1.8
309.71283	0.4
431.22028	28.9
432.22382	1.5
473.23117	0.6
474.26364	22.2
475.26218	1.1
867.11871	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4968
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03307	1.3
71.01251	33.4
71.18472	1.3
71.18810	1.4
72.99184	2.4
73.02805	4.7
78.95788	1.8
78.98474	1.8
79.95607	6.2
80.96388	23.4
81.03323	2.8
82.95966	4.0
83.01253	3.6
83.04903	3.8
85.02816	7.4
87.00746	7.8
89.02319	19.7
94.97970	6.1
95.01271	1.9
96.95889	1.9
97.02833	4.9
98.19814	1.0
99.00752	1.7
101.02328	21.3
106.97945	1.5
113.02335	11.6
116.92704	1.1
119.03401	6.8
122.97445	1.5
125.02314	7.9
125.09580	2.4
127.11175	3.4
134.97475	1.9
139.03908	1.1
143.03401	4.2
148.99097	1.9
149.04494	1.0
152.98528	1.2
155.10782	2.0
161.04451	4.2
163.00266	0.9
163.11156	2.7
164.98544	3.0
165.09166	1.6
165.12744	2.4
171.10172	6.0
179.05547	6.1
181.12231	1.2
186.11284	1.0
197.02679	1.3
201.11255	81.0
201.68300	0.9
202.11601	3.6
207.10226	1.9
209.11765	100.0
210.12120	4.6
217.07158	1.5
221.06528	2.8
225.00761	5.8
225.11253	4.1
226.11588	1.6
227.12875	14.0
235.08264	7.4
236.63466	1.1
253.09265	2.1
259.08041	1.1
277.21716	76.1
278.22034	7.3
287.07724	1.8
305.08829	2.6
311.16873	4.6
323.09836	1.2
325.18384	4.3
329.12119	1.0
379.12613	9.3
380.12512	1.2
397.13510	65.3
398.13931	4.3
399.13782	1.7
411.48489	1.1
415.14532	17.0
416.14481	1.7
453.33551	1.1
542.12506	1.0
581.24384	2.0
599.26056	1.4
607.26825	2.1
624.47565	1.2
675.36218	4.6
711.51263	1.0
797.63477	1.1
885.47363	1.7
903.47223	26.6
904.47559	3.9
924.72852	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.495
Annotation	Unknow
Peak:m/z	Relative Intensity
63.61397	1.1
69.03324	1.7
69.85060	6.0
71.01247	27.4
72.99191	1.2
73.02816	4.4
77.11037	1.1
78.95782	2.1
78.98476	3.1
79.95601	8.0
80.96387	24.3
81.03322	1.8
82.95971	5.8
83.01262	3.0
83.04887	5.9
85.02821	7.4
86.01253	1.0
87.00760	5.9
89.02309	16.2
94.97950	6.5
95.01266	1.9
95.04892	1.7
96.95876	1.8
97.02834	3.8
99.00745	2.1
101.02316	20.9
106.97990	2.2
113.02332	9.3
116.92737	1.9
119.03386	4.6
125.02327	9.4
125.09628	3.7
127.11172	4.8
131.03452	1.3
134.97433	2.6
143.03378	2.5
145.04956	1.4
148.99039	1.9
149.04509	1.3
152.98535	2.0
155.10715	2.5
161.04460	4.3
163.11124	3.6
164.98491	3.5
165.09120	1.9
165.12741	3.3
171.10146	7.2
172.10529	3.5
179.05522	6.3
199.09674	2.1
201.11255	76.3
202.11653	2.7
207.10204	2.7
209.11761	100.0
210.12061	4.8
215.12801	1.5
221.06711	2.9
225.00790	6.6
225.11238	6.8
226.11617	1.6
227.12939	9.8
235.08147	6.7
235.16968	2.8
253.09343	2.4
255.92561	1.2
275.20200	3.8
277.21707	58.6
278.22083	8.2
287.07593	2.1
293.21188	9.4
296.23026	1.2
297.15372	1.6
305.08731	3.0
309.20337	1.3
311.16852	4.6
379.12283	8.6
397.13507	48.4
398.13748	4.6
399.13943	3.0
406.90408	1.3
415.14471	14.3
416.14835	1.7
581.23932	2.3
589.24707	1.8
599.25085	2.7
607.25763	2.8
609.40295	5.7
675.35938	2.0
903.47101	34.6
904.47485	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	903.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96109	1.4
69.03298	0.8
69.50515	3.1
69.50925	1.3
71.01252	8.5
71.50207	0.6
73.02819	1.8
75.00741	0.9
78.95768	0.6
78.98454	5.7
79.95605	29.7
80.96389	62.1
81.03339	0.9
81.95184	0.7
83.01273	0.6
85.02820	2.9
87.00761	2.9
89.02315	1.5
94.97952	15.3
95.01234	0.5
96.95879	3.8
97.02811	1.9
99.00764	0.8
101.02316	3.5
106.97968	2.4
111.67345	0.6
113.02311	1.3
116.92739	5.2
122.97472	4.5
125.02319	3.4
127.03917	0.9
133.04951	0.8
134.97476	5.0
136.99045	2.0
145.99120	0.6
148.99048	5.6
152.98561	5.8
161.04471	1.6
161.87160	0.5
164.98534	9.4
164.99815	0.8
167.00037	0.8
171.10150	3.1
185.11789	0.6
195.13921	1.2
199.13309	0.9
206.99637	3.8
209.11815	4.6
211.13304	0.9
225.00694	20.9
226.01007	0.6
227.12846	1.3
228.86955	0.5
235.08104	0.7
241.00096	1.1
252.22928	0.5
283.04932	4.4
289.18051	0.6
291.19626	3.3
293.21234	1.9
294.21558	1.5
295.22693	4.6
297.15268	1.8
309.20609	1.1
319.08072	0.6
320.97046	0.6
341.05554	2.0
355.07040	1.0
361.49670	0.6
397.13510	2.7
398.14441	0.7
399.13547	1.0
415.14694	1.1
455.52231	0.6
575.25018	0.9
609.25903	1.8
613.64264	0.6
805.40424	0.7
903.47778	100.0
904.48083	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34229	1.0
69.03317	1.8
69.55138	7.9
71.00898	1.2
71.01252	17.7
72.99171	2.5
73.02834	2.5
75.00726	3.2
75.41727	0.9
78.95765	1.6
79.13972	1.2
79.95617	2.0
80.96387	2.2
81.03345	1.0
83.01232	2.6
83.04934	1.3
85.02815	5.7
87.00735	4.3
88.98673	1.2
89.02306	12.7
96.95884	10.8
97.02812	2.7
101.01807	1.1
101.02330	12.5
111.07950	1.3
113.02330	5.9
116.92702	2.6
119.03376	2.6
121.67722	1.0
125.02291	3.5
125.09580	2.7
133.04930	1.2
139.11137	2.1
141.12753	2.0
144.11630	1.3
151.11143	2.5
161.04422	2.5
166.17778	1.1
167.10626	3.2
169.12267	10.4
171.10158	4.4
178.87732	1.0
179.05499	1.7
185.11752	49.9
186.12056	2.2
195.10193	1.1
195.13881	5.5
197.11781	6.8
199.13295	4.2
200.13768	1.1
201.11269	1.9
209.11748	6.9
210.12059	1.6
211.13408	2.2
213.11287	2.3
213.14717	1.1
221.06575	2.5
223.13258	2.5
227.12813	9.0
228.13216	2.8
229.14186	1.1
235.08244	2.7
253.09261	1.6
275.20071	1.6
291.19424	3.0
293.21243	21.9
294.21625	6.6
295.22330	4.4
300.70328	1.0
309.20752	6.6
310.21170	1.3
316.01926	1.1
344.50217	1.1
372.51868	1.2
397.13431	11.3
398.14081	3.3
415.14584	3.6
458.15985	1.2
510.78088	1.2
591.00732	1.2
609.24500	1.3
903.45972	100.0
904.46338	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	903.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34229	1.0
69.03317	1.8
69.55138	7.9
71.00898	1.2
71.01252	17.7
72.99171	2.5
73.02834	2.5
75.00726	3.2
75.41727	0.9
78.95765	1.6
79.13972	1.2
79.95617	2.0
80.96387	2.2
81.03345	1.0
83.01232	2.6
83.04934	1.3
85.02815	5.7
87.00735	4.3
88.98673	1.2
89.02306	12.7
96.95884	10.8
97.02812	2.7
101.01807	1.1
101.02330	12.5
111.07950	1.3
113.02330	5.9
116.92702	2.6
119.03376	2.6
121.67722	1.0
125.02291	3.5
125.09580	2.7
133.04930	1.2
139.11137	2.1
141.12753	2.0
144.11630	1.3
151.11143	2.5
161.04422	2.5
166.17778	1.1
167.10626	3.2
169.12267	10.4
171.10158	4.4
178.87732	1.0
179.05499	1.7
185.11752	49.9
186.12056	2.2
195.10193	1.1
195.13881	5.5
197.11781	6.8
199.13295	4.2
200.13768	1.1
201.11269	1.9
209.11748	6.9
210.12059	1.6
211.13408	2.2
213.11287	2.3
213.14717	1.1
221.06575	2.5
223.13258	2.5
227.12813	9.0
228.13216	2.8
229.14186	1.1
235.08244	2.7
253.09261	1.6
275.20071	1.6
291.19424	3.0
293.21243	21.9
294.21625	6.6
295.22330	4.4
300.70328	1.0
309.20752	6.6
310.21170	1.3
316.01926	1.1
344.50217	1.1
372.51868	1.2
397.13431	11.3
398.14081	3.3
415.14584	3.6
458.15985	1.2
510.78088	1.2
591.00732	1.2
609.24500	1.3
903.45972	100.0
904.46338	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	901.5659
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31102	7.8
78.95776	66.7
96.95866	0.9
96.96848	6.2
98.20573	1.8
103.56523	0.8
107.89980	0.7
109.10125	0.7
120.06411	0.8
123.00791	0.7
136.72595	0.7
136.73756	0.7
137.51202	0.7
150.97922	1.4
152.99489	100.0
153.99802	0.9
167.74567	0.7
170.26425	0.7
171.00537	1.9
173.23756	0.7
176.62779	0.7
241.21735	1.7
255.23274	3.4
409.23593	53.5
410.23569	3.5
746.46851	0.9
901.47552	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	901.4816
Annotation	Unknow
Peak:m/z	Relative Intensity
68.87340	1.2
69.03326	3.6
70.06571	1.1
70.69569	2.4
70.69968	1.7
71.01254	49.7
72.99178	5.0
73.02821	9.7
75.00768	1.4
76.26714	1.1
77.67078	1.2
78.95770	2.8
78.98470	5.0
79.95605	18.8
80.96391	64.4
81.03325	3.7
83.01269	4.6
83.04916	2.1
85.02823	13.6
87.00746	9.7
89.02315	26.7
94.97957	15.6
95.01285	4.9
95.04916	3.1
96.95869	7.1
97.02821	10.1
97.06436	1.5
99.00760	3.6
101.02327	29.1
106.97958	4.0
109.02847	1.7
109.06467	4.4
111.04388	1.5
111.49427	1.2
113.02328	14.6
114.02588	1.4
116.92741	2.5
119.03381	7.0
122.97459	2.0
124.01503	1.3
125.02326	16.2
125.09588	2.4
127.03909	1.6
127.11185	4.3
131.03383	1.5
133.28616	1.1
134.97453	3.9
135.08000	1.5
139.03891	1.7
141.01833	1.7
143.03409	6.3
148.99057	6.6
152.98506	6.0
155.10637	2.3
159.43677	1.1
161.04495	9.5
161.09612	1.3
163.11195	8.9
164.98555	11.7
167.03444	1.6
169.12241	2.1
171.10179	100.0
172.10574	3.0
179.05542	7.2
179.10687	2.1
181.12238	2.3
185.11740	4.4
189.09081	3.0
194.70187	1.1
195.13785	1.5
197.11734	3.3
199.13344	5.4
201.11275	25.1
206.99651	2.6
207.10197	21.2
209.11781	7.5
211.13287	3.7
215.12775	2.3
217.07112	1.6
221.06607	4.3
225.00685	18.7
225.11284	56.6
226.11641	4.4
227.12868	4.3
232.54150	1.1
235.08200	10.2
243.12383	10.2
253.09282	3.4
258.49759	1.3
263.07693	1.4
275.20090	2.2
277.21707	92.3
278.22018	5.8
287.07721	2.8
293.21246	17.6
294.21469	1.4
295.87659	1.3
297.15256	1.6
305.08731	3.0
309.20721	3.4
311.16748	2.3
379.12430	15.1
397.13495	61.2
398.13766	4.8
415.14523	16.6
439.14560	2.8
458.21854	1.4
461.20111	1.4
545.38165	1.3
551.23431	4.2
569.24457	4.7
605.24731	6.0
623.25745	9.4
626.42816	1.2
657.34741	2.2
675.35919	4.1
883.46820	10.5
901.46307	60.8
902.46423	16.8
923.30432	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	901.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	44.2
71.57918	3.8
72.12840	2.1
72.22829	2.0
72.99155	3.1
73.02811	8.3
73.29012	2.0
73.45734	2.4
78.91907	2.0
78.95782	29.8
78.98450	3.3
79.95597	16.4
80.96391	27.8
81.03329	2.6
82.95975	6.6
83.01246	4.4
83.04929	2.5
85.02823	8.9
87.00731	10.5
89.02310	26.0
91.46294	2.5
94.97984	6.1
95.95081	3.8
96.95896	32.5
96.96833	7.2
97.02820	9.3
99.00747	6.1
101.02327	23.3
109.06458	6.3
113.02316	16.4
119.03380	5.5
121.06557	2.5
122.97414	2.9
125.02323	10.6
125.09528	2.8
127.11115	3.8
134.97444	3.5
143.03398	3.1
148.99127	2.8
152.98462	2.6
152.99550	4.1
155.10669	3.1
161.04463	8.2
163.11171	5.8
164.98335	2.4
169.12210	2.9
171.10191	55.8
179.05502	6.8
181.12259	7.9
183.01109	4.6
189.09149	2.5
197.11719	7.4
199.13353	19.8
201.11269	26.7
207.10257	17.8
209.11752	6.3
211.07249	2.7
215.12808	5.4
221.06590	3.7
225.00627	7.5
225.11278	47.6
226.11568	3.4
235.08171	9.8
241.01147	11.7
243.12378	14.0
253.09344	2.5
264.26660	2.7
272.08820	3.7
277.21704	83.1
278.21985	8.8
284.82230	2.3
293.21201	9.6
309.20734	2.5
311.16895	21.8
312.17407	5.7
313.16788	4.9
325.18387	9.7
379.12683	11.4
397.13477	49.3
415.14465	14.5
439.14465	3.5
587.10510	2.4
605.24371	4.9
623.25647	6.9
883.48254	5.9
901.46826	100.0
902.47296	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
68.95013	0.4
69.03314	1.3
71.01254	18.2
71.04864	0.4
72.99188	1.7
73.02821	2.8
73.03164	0.5
75.00741	0.6
79.95603	1.9
80.02550	1.3
80.96387	2.5
81.03334	1.4
83.01260	1.8
83.04902	5.1
84.02037	1.1
85.02821	4.2
87.00751	4.3
89.02314	13.2
91.03896	0.4
93.03329	0.6
94.97966	0.7
95.01280	1.5
95.04890	1.0
96.95883	5.0
97.02841	2.7
97.03357	0.5
97.06455	0.9
98.20539	1.1
99.00746	1.2
100.81485	0.3
101.02325	13.5
109.06503	0.7
111.00752	0.7
111.08020	0.8
113.02333	7.2
116.20691	0.4
118.79274	0.4
119.03370	2.9
121.02859	0.5
121.10114	0.6
125.02333	6.0
125.05975	0.4
125.09610	0.7
129.01797	0.5
131.03397	0.9
133.04921	0.6
135.08040	0.8
137.09619	0.5
139.03865	0.4
141.12762	0.6
143.03383	2.7
147.11702	0.4
149.04445	0.4
161.04460	3.7
163.11186	3.8
165.12762	2.4
169.12256	1.4
171.10201	2.9
179.03949	0.4
179.05544	4.2
179.14326	0.9
181.12262	1.3
183.13841	1.6
185.11778	1.0
191.10696	1.1
195.13832	6.9
196.14383	0.5
197.11809	2.9
199.13361	3.1
205.12326	0.5
207.10229	0.4
209.11768	94.0
210.12114	4.8
211.13364	9.8
212.13652	0.8
217.06914	0.6
221.06525	2.2
223.13341	4.7
225.00751	1.0
225.11296	0.6
227.12830	15.1
228.13365	1.4
235.08179	4.8
253.09305	2.3
256.13156	1.1
275.20135	6.4
287.07791	1.8
291.19724	2.8
293.21231	100.0
294.21567	6.5
299.01965	0.6
305.08694	2.2
309.20694	10.0
310.21127	0.6
323.09686	1.2
379.12534	4.1
397.13507	41.0
398.13647	2.3
415.14594	14.4
416.15155	0.7
474.62207	0.5
485.33212	0.6
589.25110	0.7
607.26050	2.8
609.27020	1.0
625.27295	0.6
634.40454	0.5
673.34058	0.8
691.35297	1.4
901.46460	5.0
902.45459	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
65.32149	0.7
69.03302	1.2
69.92061	3.6
70.93620	0.7
71.01250	20.3
71.04881	2.6
72.99168	1.4
73.02821	3.3
73.61063	0.9
78.95772	2.4
79.95604	1.9
80.96400	3.5
81.03325	1.1
83.01245	1.0
83.04910	1.0
85.02830	5.4
87.00747	3.4
89.02306	11.2
93.03284	1.0
94.97980	1.0
95.01270	1.7
95.95077	0.7
96.95864	3.3
97.02825	6.5
97.06432	1.7
98.20508	1.0
99.00749	13.5
101.01698	1.0
101.02323	14.0
109.06461	2.4
109.18628	0.7
110.03604	0.8
111.04362	0.9
113.02357	5.1
119.03392	2.8
123.08011	1.3
125.02338	3.9
125.09607	5.3
127.11140	1.4
131.03410	0.8
136.05118	0.8
139.03894	1.0
141.01831	0.8
142.02599	0.7
143.03387	1.3
153.12691	1.0
161.04468	2.8
161.09518	1.1
163.11211	9.1
164.98491	0.7
171.10158	7.7
179.05507	1.5
181.12262	11.0
197.11769	2.0
199.13354	10.1
201.11247	4.8
207.10194	29.4
208.10599	1.6
208.50339	0.7
209.11700	1.4
215.12714	0.8
221.06618	1.7
222.84869	0.8
225.00706	1.0
225.11264	40.4
226.11557	3.1
232.61012	0.9
235.08142	2.9
243.12332	9.7
253.09273	0.7
277.21716	43.4
278.22171	3.8
293.21259	1.6
305.08707	1.7
311.16968	2.0
312.17114	0.9
325.18314	2.8
379.12378	1.4
397.13452	12.3
415.14523	3.3
439.14575	1.1
605.23993	3.9
623.26025	4.0
883.47028	13.8
884.47510	2.9
901.47870	100.0
902.48126	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	901.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03333	1.9
71.01257	29.7
72.99207	2.9
73.02824	4.1
78.95786	5.8
78.98476	3.1
79.95582	7.0
80.96387	20.4
82.95977	3.1
83.01266	2.8
85.02821	7.4
87.00745	7.8
89.02319	16.4
94.97983	5.1
95.01273	2.6
95.04923	2.0
96.95895	8.6
97.02842	6.1
99.00784	2.2
101.02324	19.8
109.06554	1.5
113.02332	9.6
116.92775	6.3
119.03378	6.5
125.02352	8.5
126.99441	1.9
127.11169	2.4
127.56025	1.3
143.03404	2.7
148.99086	1.8
152.99495	2.1
161.04457	3.8
163.11215	2.0
164.98512	3.0
171.10179	100.0
172.10571	3.5
179.05530	5.1
181.12306	2.8
183.01144	4.0
197.11777	3.5
199.13365	4.0
201.11203	2.2
207.10175	6.9
209.11774	3.0
225.00713	6.1
225.11292	25.8
225.13332	2.6
226.11601	2.2
235.08206	7.6
241.01357	2.6
243.12340	8.9
255.23167	2.6
256.23758	1.6
277.21729	82.0
278.22037	8.6
287.07724	1.5
293.21365	7.1
295.48605	1.5
305.08725	2.5
311.16904	3.2
323.09851	2.1
325.18549	4.3
379.12421	16.6
391.86038	1.6
397.13522	61.9
398.13971	5.0
415.14374	10.8
551.23450	3.7
569.24554	2.9
605.24377	2.2
623.25299	1.7
657.34863	2.8
675.35760	1.8
726.39520	2.0
883.47369	4.3
884.47113	2.6
901.46216	37.0
902.46350	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	901.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03313	3.0
69.51607	1.5
69.57417	4.4
69.57845	6.3
71.01254	38.0
72.99158	3.2
73.02821	8.3
75.00756	1.5
75.49744	1.4
78.95767	4.4
79.95595	5.0
80.13358	1.3
80.96385	21.7
82.17943	1.4
83.01266	4.6
85.02816	10.8
87.00747	7.7
89.02322	24.4
94.97961	4.9
95.01228	3.4
95.04877	2.7
96.95882	3.6
97.02841	9.6
97.06411	1.4
98.19749	1.4
99.00771	11.9
101.02309	21.3
109.06466	4.4
111.04390	2.1
113.02332	11.9
116.92738	4.5
117.56853	1.3
119.03364	7.0
123.08024	2.2
125.02332	10.7
125.09585	4.9
127.11179	2.4
143.03374	4.9
151.11147	3.0
155.10660	1.6
161.04422	6.4
161.09586	1.6
163.11220	13.6
164.98538	2.9
171.08743	2.3
171.10190	33.5
172.10498	1.9
179.05548	5.4
179.10698	3.2
181.12282	17.6
183.00992	2.2
185.11636	1.7
197.02649	2.2
197.11772	6.8
199.13356	14.7
201.11227	13.3
207.10208	46.1
208.10591	2.5
209.11734	4.3
211.69417	1.3
221.06573	4.2
225.00743	5.3
225.11269	88.2
226.11626	5.3
235.08270	9.0
241.01169	1.7
243.12347	17.3
253.09314	1.6
269.51834	1.6
277.21716	72.5
278.22125	4.9
293.21310	3.3
305.08664	2.1
311.16901	2.2
325.18375	5.9
379.12402	6.1
397.13467	51.1
398.14267	3.7
415.14627	13.1
416.14661	2.7
425.72983	1.5
439.14639	1.9
604.12195	2.0
605.24451	5.9
623.25354	9.9
675.36890	2.2
850.46423	1.8
867.24615	1.7
883.47266	16.8
884.46838	5.2
901.47632	100.0
902.48059	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4686
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96104	2.5
69.03329	4.3
71.01254	50.5
71.58199	2.5
72.99162	3.4
73.02837	10.0
76.68552	1.6
78.98473	7.5
79.95613	24.7
80.96389	100.0
81.03323	3.6
83.01242	4.0
83.04902	1.8
85.02830	17.2
87.00266	2.1
87.00749	14.0
87.53764	1.3
89.02316	25.8
90.39991	1.4
94.97954	23.7
95.01255	3.3
95.04897	2.5
96.95871	7.1
97.02829	9.6
99.00743	4.1
101.02320	28.0
106.14539	1.4
106.97954	4.4
109.06494	4.9
113.02320	16.6
116.92713	3.3
119.03374	5.5
122.97409	4.2
125.02354	12.3
125.09648	3.1
127.03881	2.2
127.11121	2.4
134.97467	9.0
136.99033	2.0
139.07501	1.8
143.02336	1.6
143.03406	4.6
148.99055	9.4
149.29356	1.5
152.98509	10.1
155.10640	1.8
156.92798	1.5
161.04453	6.9
163.11182	9.5
164.98540	15.9
167.10716	2.2
169.12280	2.5
171.10179	70.0
172.10576	1.7
179.05533	6.7
181.12233	4.9
185.11789	4.4
189.09100	2.3
197.11752	4.3
199.13318	1.9
201.11261	32.2
206.99609	4.1
207.10175	18.0
209.11748	6.3
211.13235	4.5
215.12752	3.5
221.06541	2.8
223.13501	2.1
225.00691	28.7
225.11276	50.6
227.12842	4.5
235.08194	8.8
243.12326	4.1
253.09224	3.8
264.10324	1.7
275.20203	3.0
277.21719	77.8
278.22174	7.6
287.07770	2.8
291.19727	2.4
293.21170	13.7
294.21381	1.6
297.15338	2.4
305.08755	2.9
309.20673	2.8
311.16678	2.2
379.12357	9.8
397.13455	56.9
398.13739	2.2
415.14490	15.6
439.14606	5.8
447.08380	2.0
488.73672	1.7
569.24072	3.5
591.24860	2.5
605.23926	3.2
623.26062	7.7
883.46490	7.0
901.46222	95.5
902.46002	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	901.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96122	1.6
69.03323	3.1
69.28389	12.3
70.84779	1.3
71.01251	33.2
71.42889	1.0
71.78642	1.1
72.99190	2.2
73.02814	7.5
75.08112	1.0
78.95787	1.5
78.98460	8.6
79.95602	19.9
80.96390	99.9
81.03324	2.1
83.01248	4.0
85.02811	11.9
87.00749	9.4
89.02319	16.3
93.03378	1.5
94.97958	21.1
95.01264	3.7
95.04876	1.9
96.95890	3.7
97.02829	5.8
97.06464	1.3
99.00753	2.5
101.02319	23.2
106.97945	3.1
109.02843	1.2
109.06470	4.5
113.02326	11.0
119.03374	3.7
122.97462	4.2
125.02336	12.8
125.09621	2.7
127.11179	2.6
134.97462	7.9
136.99042	2.0
139.00261	1.2
143.03407	4.7
145.04955	1.4
147.35260	1.1
148.99019	7.5
151.11174	1.3
152.98543	8.0
155.10594	1.3
161.04465	4.0
163.11195	5.9
164.52699	1.0
164.98521	16.7
165.09131	1.2
166.99983	1.1
169.12334	1.3
171.10168	51.7
179.05481	6.0
181.12228	3.5
185.11827	1.1
189.09073	1.3
197.02710	1.3
197.11786	3.1
201.11252	23.6
206.99608	4.5
207.10194	13.3
209.11734	4.3
210.18854	1.1
211.13387	2.4
215.12816	2.6
221.06563	2.4
224.98917	0.6
225.00679	29.1
225.11261	39.5
226.11674	1.8
235.08192	6.7
243.12373	5.0
251.76524	1.2
253.09261	3.3
275.20224	4.1
277.21683	59.7
278.22021	3.3
283.04919	1.7
287.07648	1.9
291.19839	2.2
293.21204	10.1
294.21313	1.8
297.15314	4.6
305.08682	2.7
309.20709	3.3
310.21173	1.6
311.16833	18.0
312.17349	1.8
323.09708	1.7
379.12531	7.9
397.13498	46.4
398.13742	3.5
415.14456	10.7
439.14572	2.6
467.82324	1.5
591.24878	3.6
605.24207	2.9
623.25568	4.9
675.36389	1.5
883.46094	5.8
901.46271	100.0
902.46643	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	900.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01273	85.0
71.57946	83.7
78.95787	82.3
79.97255	35.4
101.02301	45.2
129.57024	36.2
139.92197	38.9
152.99574	45.4
172.37631	35.9
185.87267	35.0
283.78406	42.2
289.50211	42.6
443.67566	53.1
471.50665	47.1
559.18958	50.6
560.19220	54.7
561.19318	100.0
562.19720	61.8
700.44580	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02241	0.5
65.00190	1.5
65.93140	0.5
66.40000	0.5
69.03344	1.0
71.01244	1.6
71.58622	1.0
76.45895	0.5
76.98270	0.5
77.65331	0.5
79.58081	0.6
79.95612	1.1
80.96407	0.9
83.01268	0.9
85.02812	1.6
87.00726	0.7
87.46982	0.7
89.02314	1.1
89.03732	0.6
96.95892	16.4
99.00755	0.7
101.02343	0.6
102.05504	0.6
107.01268	2.3
113.02308	0.8
121.02865	0.9
121.20057	0.6
128.03430	0.8
135.08009	0.5
143.04926	0.6
145.02859	0.8
145.06061	0.8
146.04526	0.8
149.02357	0.8
151.00259	7.6
155.04955	0.8
159.04362	1.1
169.01361	0.8
169.02827	0.8
171.04492	1.4
171.10246	1.1
178.99789	2.9
183.04456	1.6
187.03883	0.9
189.12723	1.2
191.02000	0.7
193.01353	0.7
197.11781	0.8
199.03917	6.7
203.03394	1.0
205.01355	0.7
207.09982	3.3
209.11740	4.1
211.04031	0.7
211.13333	1.7
215.03462	2.9
227.03455	5.3
234.25882	0.6
242.02217	0.7
243.02946	12.2
244.03329	0.6
255.02975	9.1
256.03400	0.9
257.11487	3.0
271.02487	34.6
272.02847	1.4
293.21133	1.7
299.01959	100.0
300.02634	24.1
301.03464	10.1
309.20816	0.9
313.03607	1.6
329.17282	3.9
397.13470	1.6
463.08865	8.9
488.98276	0.6
525.11884	0.6
544.03650	0.7
577.34381	0.7
593.23724	1.8
608.13824	73.1
609.14087	8.6
657.86597	0.6
765.47852	0.6
901.34570	4.9
902.34613	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	899.5359
Annotation	Unknow
Peak:m/z	Relative Intensity
66.54847	5.3
69.71534	5.1
71.01238	30.1
71.57758	11.3
73.02813	6.8
73.79810	5.6
78.95764	9.4
78.98480	8.3
79.95609	24.0
80.96390	42.9
85.02803	13.4
87.00750	5.1
89.02309	17.9
94.97948	17.1
96.95899	16.2
97.02823	5.9
100.29146	5.7
101.02315	18.7
109.06458	11.7
110.95588	5.6
112.94480	6.3
113.02308	10.1
125.02308	7.9
131.08095	7.6
161.04518	6.5
163.11194	9.9
163.73956	5.1
164.98470	8.8
171.10184	26.5
182.51399	5.9
195.10165	8.1
205.08553	9.8
206.99529	5.4
207.10124	20.6
209.11714	16.4
211.13326	15.2
223.09758	10.7
225.00667	12.0
225.11247	14.3
235.08211	7.1
241.10713	13.5
253.09181	28.6
275.20081	7.5
277.21753	11.6
289.17944	5.9
291.19620	7.2
293.21246	100.0
294.21387	6.8
297.15210	10.3
309.20547	15.0
311.16769	9.9
320.31775	6.2
327.21725	67.0
371.45398	5.6
397.13498	27.5
415.14362	8.6
456.20215	6.2
587.98547	5.8
632.11487	5.9
881.45435	8.2
899.44781	77.3
900.45496	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96087	0.5
69.03323	4.4
71.01251	14.0
71.04868	0.7
72.99191	1.4
73.02819	1.6
74.80621	0.6
78.95749	1.2
78.98463	1.1
79.38013	0.5
79.95608	4.9
80.96392	19.4
83.01254	1.6
83.04897	0.6
85.02798	3.4
87.00759	2.9
88.39365	0.6
88.77479	0.5
89.02318	7.0
94.97976	4.8
96.95876	1.2
97.02835	3.4
98.20534	2.1
99.00768	1.2
101.02318	8.6
106.97949	0.9
109.66972	0.6
111.08031	0.6
113.02317	2.6
119.03397	1.7
122.97443	1.1
123.08037	1.1
125.02311	2.7
125.09602	1.1
134.97450	1.1
137.09529	0.6
143.03369	1.1
148.99052	1.2
151.11183	2.1
152.98524	2.2
153.12794	0.8
161.04472	1.2
161.09634	3.1
164.98537	3.0
171.03964	0.7
179.05380	0.6
179.10689	4.4
183.01137	3.7
197.11763	31.3
198.12006	2.0
207.10129	1.0
211.13347	2.2
221.06604	1.2
223.09628	1.9
225.00766	3.7
225.11343	1.1
235.08234	1.1
241.10739	1.6
241.14389	0.8
253.09216	1.4
277.21716	30.4
278.22107	1.6
287.43301	0.6
291.19730	1.2
292.20248	0.7
293.21143	0.9
309.20651	2.5
310.21085	2.1
311.16870	11.6
311.20663	1.0
312.17047	4.4
313.16852	2.5
315.14328	0.6
397.13562	2.6
542.16040	0.6
586.35266	0.6
639.24445	0.6
715.96149	0.6
881.46033	0.9
899.46143	100.0
900.46527	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	899.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03330	3.6
70.29646	0.5
70.86244	1.2
70.86575	0.7
71.01251	17.4
71.04881	2.2
72.99177	1.8
73.02819	2.5
74.37953	0.4
75.00720	0.5
75.06308	0.4
78.95767	1.4
78.98461	1.0
79.95598	4.9
80.08878	0.5
80.96390	13.1
83.01251	1.8
85.02831	3.7
87.00745	2.5
89.02315	8.4
94.07154	0.5
94.97971	4.2
95.01260	1.1
96.95869	1.4
97.02840	2.3
97.06444	0.9
99.00728	1.3
101.02317	9.2
111.04350	0.8
112.76785	0.5
113.02345	4.2
115.03893	0.6
119.03373	1.6
122.97469	0.5
123.08088	1.0
125.02348	2.6
125.09608	2.3
131.03413	0.8
134.97450	1.1
143.03372	0.8
148.99011	1.5
151.11192	1.1
152.98511	1.3
153.12738	1.5
153.54216	0.5
161.04443	1.5
161.09619	2.0
164.98540	2.7
171.10107	1.4
179.05417	0.7
179.10680	4.7
183.01175	1.1
197.11766	53.1
198.12137	2.5
199.34369	0.4
207.10146	1.3
211.13313	1.5
221.06584	1.9
223.09692	2.2
223.13153	0.5
225.00726	3.6
233.53333	0.4
235.08208	1.1
241.01189	0.7
241.10806	3.7
253.09216	0.8
277.21744	21.7
278.22046	1.3
293.21207	1.5
310.21140	0.9
311.16870	3.6
325.18506	1.4
397.13419	4.4
415.14496	1.2
546.32953	0.6
639.25293	1.1
881.46063	0.7
899.46222	100.0
900.46521	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	899.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03308	2.9
69.32899	8.5
71.01254	24.9
71.04877	3.5
72.99165	1.5
73.02814	4.7
75.00749	2.2
79.95598	2.3
80.96401	6.7
81.03320	2.0
83.01234	2.3
85.02825	8.5
87.00744	9.2
89.02317	11.9
93.03336	1.0
95.04869	1.2
96.95904	5.8
97.02833	14.8
97.06499	2.4
98.19782	1.8
99.00751	26.7
101.02318	12.6
109.06458	4.9
110.03603	2.2
111.00749	1.6
111.04383	0.9
111.08053	1.3
113.02354	7.9
119.03349	2.5
123.04392	2.0
123.08079	1.7
125.02313	7.8
125.09601	8.6
135.08034	1.7
136.05194	1.9
142.02603	3.7
143.03401	1.7
158.45349	1.1
161.04472	3.4
161.09587	1.7
163.11205	13.9
164.98465	1.9
165.09061	1.0
171.10147	2.4
176.04312	1.0
179.05540	3.1
179.14331	1.1
181.12270	23.2
182.12683	1.7
194.19031	0.9
195.13823	10.3
197.11794	1.6
199.13293	5.6
200.13782	1.0
205.12239	1.1
207.10197	73.0
208.10518	4.1
209.11769	14.7
211.13313	3.0
219.05020	1.2
221.06598	1.9
221.98857	1.0
223.13351	5.7
225.00717	1.9
225.11267	100.0
226.11623	6.1
227.12772	2.7
235.08260	4.4
243.12352	39.4
244.12669	1.9
253.09337	1.3
256.12985	1.9
263.07712	3.5
275.20126	5.7
289.18140	1.2
291.19696	10.6
292.20007	1.0
293.21216	93.0
294.21460	6.9
299.15088	1.1
307.19293	1.2
309.20673	2.6
317.16083	3.0
397.13531	17.8
415.14722	4.7
461.20630	2.1
501.32483	1.1
519.33209	1.7
558.24268	1.0
605.24402	14.6
606.24756	2.5
623.25531	37.0
624.25861	5.1
857.45380	1.1
882.93872	1.2
899.46350	98.4
900.46570	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	898.5218
Annotation	Unknow
Peak:m/z	Relative Intensity
65.68506	0.4
78.95776	25.3
94.90179	0.4
110.98404	3.8
122.00016	0.8
135.47362	0.4
140.01080	5.6
149.87544	0.4
152.99495	2.2
162.27469	0.4
167.01035	3.1
175.01961	0.4
185.02119	1.8
196.03738	9.5
196.05551	0.5
214.04837	1.9
230.41844	0.5
255.23271	100.0
256.23599	6.1
256.26053	0.6
277.21716	53.2
278.22012	2.6
308.00949	0.4
323.13470	0.4
445.23608	31.0
446.23999	2.5
452.27817	79.0
453.28131	7.1
567.21277	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5222
Annotation	Unknow
Peak:m/z	Relative Intensity
70.92828	0.7
70.93170	1.0
78.10762	0.5
78.95780	9.6
79.92301	0.5
110.98409	2.7
112.91048	0.5
113.89512	0.5
132.56697	0.5
140.01065	1.9
150.06599	0.6
152.99490	2.0
157.10126	0.5
167.01062	1.4
183.52074	0.6
185.02098	2.0
196.03766	1.4
207.70860	0.5
214.04836	1.7
220.32924	0.5
234.70610	0.6
255.23270	100.0
256.23669	4.8
277.21719	37.7
278.22043	2.8
290.29648	0.5
445.23560	18.8
446.24054	1.7
452.27817	46.1
453.28030	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	899.4451
Annotation	Unknow
Peak:m/z	Relative Intensity
62.49582	1.1
69.03324	2.4
71.01253	12.8
71.57914	2.3
73.02808	2.3
74.82519	1.1
75.00770	1.7
78.95764	4.2
78.98447	9.0
79.95602	23.1
80.96391	100.0
82.60207	1.1
83.01255	1.7
85.02821	2.8
87.00743	5.6
89.02314	1.6
94.97960	22.2
96.95881	2.2
97.02817	2.6
99.00726	1.5
101.02321	4.9
106.97964	5.5
122.97482	3.3
125.02319	5.1
134.97478	8.1
136.99045	2.1
148.99034	7.4
152.98526	10.0
152.99541	1.7
164.98526	15.3
171.10172	3.4
183.01129	4.8
197.11810	2.2
206.99594	4.5
207.10239	2.8
209.11858	1.8
211.13318	2.7
223.09621	2.2
225.00700	25.4
226.01056	1.1
241.01181	2.7
241.14326	1.4
253.09274	1.8
255.23222	2.6
277.21738	10.2
283.05011	1.8
293.21039	2.7
309.20313	1.2
311.16858	24.9
311.22241	1.6
312.17081	4.7
313.16623	2.3
325.18326	6.8
397.13144	3.2
725.38397	2.2
899.44720	95.3
900.45032	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	897.522
Annotation	Unknow
Peak:m/z	Relative Intensity
64.40898	1.0
66.91977	0.8
69.22909	5.6
69.23333	3.5
71.01250	4.7
73.02842	0.9
75.00753	1.1
78.95765	1.7
79.95615	1.9
80.96394	6.2
85.02797	1.9
87.00732	1.8
89.02330	2.2
94.97929	1.2
96.95899	1.8
98.20509	1.6
101.02313	2.7
109.06463	1.0
111.08039	7.2
113.02332	1.8
152.99525	1.5
163.11150	1.2
164.09995	1.0
164.98459	1.0
169.12233	3.0
171.10202	1.4
181.12242	1.2
183.01135	35.0
184.01625	3.6
185.00787	1.9
197.02696	1.8
197.11757	39.2
198.12126	1.2
199.13353	2.3
209.11722	2.4
211.13286	5.8
213.41168	1.1
223.13271	1.5
225.00688	1.7
227.12837	2.2
247.20598	1.2
253.09259	13.9
255.23332	2.6
263.20135	2.4
265.18332	1.1
267.69092	1.0
273.18649	1.2
277.21762	2.3
287.42429	0.9
291.19653	18.9
292.20071	1.5
293.21173	1.8
309.20709	67.5
310.21066	5.6
311.16861	100.0
312.17209	17.4
313.16815	6.1
325.18408	2.6
527.28442	1.2
545.29474	5.0
571.28345	1.1
601.41168	1.2
765.40173	1.2
897.46625	4.2
928.55957	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
63.08700	1.3
69.03329	3.0
71.01252	100.0
71.04937	1.8
71.58143	2.2
72.99174	4.1
73.02827	4.4
74.51584	1.4
75.00743	39.2
75.82941	1.2
78.95770	10.5
78.98457	1.6
79.95622	6.1
80.96389	24.9
81.03312	3.0
83.01262	3.6
83.04902	4.2
85.02828	8.0
86.49313	1.5
87.00766	5.9
89.02307	19.8
94.97961	2.6
95.01279	3.2
96.54458	1.4
96.95859	1.8
96.96883	1.4
97.02828	6.8
97.06477	1.9
97.93693	1.5
99.00754	4.0
101.02318	21.1
109.06478	5.4
113.02333	11.5
115.03854	1.8
119.03397	5.7
121.02774	1.9
124.48042	1.4
125.02321	9.7
125.09638	1.4
127.11163	2.5
134.97440	1.7
135.08006	1.5
139.39438	1.4
142.17200	1.2
143.03381	2.3
152.98438	1.9
152.99521	3.1
161.04507	3.4
163.11188	5.2
164.98547	2.5
171.10181	53.6
172.10461	2.2
176.99084	1.5
179.05507	3.7
181.12292	2.3
183.01106	3.9
195.13976	2.8
199.09666	12.8
201.11276	15.4
207.10191	22.9
209.11821	2.7
221.06567	3.4
221.11810	11.3
225.00705	4.6
225.11267	13.0
232.77373	1.6
235.08174	5.7
239.12843	5.2
241.01144	5.3
243.12338	2.7
253.09224	2.7
255.23268	80.5
256.23615	7.8
277.21744	12.8
278.26801	1.4
287.07883	1.6
288.39758	1.7
291.19775	1.9
293.21078	2.2
309.20694	1.8
311.16870	7.9
325.18311	6.9
326.18588	1.6
343.21463	2.1
379.12457	6.5
397.13504	45.8
398.13828	4.1
415.14542	10.7
483.27322	1.9
605.24530	3.0
619.25861	1.6
637.27246	1.6
835.46814	4.9
861.48346	8.7
862.49243	2.9
870.23547	1.6
879.48462	3.2
897.50281	38.4
898.49890	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	897.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03304	2.9
69.81923	0.4
71.01252	17.1
71.04888	0.8
72.99181	1.2
73.02823	1.9
78.98479	0.4
79.95625	0.9
80.96393	3.9
81.03329	0.8
83.01267	1.7
83.04889	0.6
85.02821	4.3
87.00753	3.8
89.02316	12.5
93.03349	0.8
94.97975	0.8
95.01273	1.4
95.04891	1.0
96.95901	0.7
97.02822	2.5
98.19685	0.9
99.00759	0.7
101.02322	12.7
104.40350	0.4
109.06481	0.9
111.00763	0.5
111.04401	0.5
111.08036	0.8
113.02326	6.5
119.03384	3.9
119.62351	0.3
125.02325	4.3
127.03923	0.5
131.03389	0.7
139.03932	0.5
139.69424	0.4
141.01794	0.6
143.03381	2.3
149.04420	0.6
149.09599	0.7
161.04459	3.2
161.13263	0.5
167.10718	3.1
171.10225	0.5
177.12675	0.5
179.05565	3.4
179.10699	1.2
179.14310	3.5
183.01105	0.6
187.11267	0.6
195.13828	16.5
196.14349	1.0
197.02829	0.4
199.06145	0.4
205.12262	7.9
205.15744	0.6
206.12631	0.5
209.11728	0.5
211.13353	1.5
221.06647	1.5
223.13344	73.3
224.13684	3.1
225.00656	1.3
225.14851	0.8
228.13611	0.7
235.08212	3.5
253.09230	0.7
256.13135	0.8
263.07794	0.4
265.14426	0.4
265.21683	0.5
275.20157	5.3
287.07730	1.0
291.19742	0.7
293.21213	100.0
294.21573	6.4
297.15311	0.7
305.08679	1.1
309.20593	0.6
311.16769	0.7
323.09741	1.2
325.18362	0.8
379.12326	2.7
397.13495	32.5
398.13815	1.4
415.14584	13.1
416.14954	0.5
577.26935	3.1
603.26428	4.1
605.55750	0.5
621.27576	9.2
622.28082	0.7
673.34631	1.1
691.35706	1.8
897.43695	4.2
898.45142	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
68.01449	0.3
69.03299	3.1
71.01254	16.4
71.04882	0.6
72.99185	1.5
73.02814	2.6
75.00748	0.5
76.23730	0.3
79.95610	0.5
80.96393	2.0
81.03336	0.6
83.01264	1.5
83.04901	0.8
85.02813	3.8
85.06470	0.3
87.00744	3.6
89.02318	12.0
90.07529	0.3
95.01245	1.5
95.04918	0.8
96.95884	0.5
97.02824	2.0
97.06551	0.4
98.19779	0.9
99.00742	0.7
101.02325	10.7
109.06467	0.6
111.04428	0.4
111.08036	0.7
113.02327	6.1
119.03378	3.3
125.02349	4.2
125.09631	0.5
131.03392	0.8
133.04970	0.4
139.03893	0.7
141.01672	0.3
143.03429	2.6
145.04961	0.5
148.99019	0.4
149.04414	0.3
149.09628	0.7
161.04468	3.4
161.13263	0.4
164.98447	0.4
167.03416	0.6
167.10670	3.1
171.10245	0.4
177.12773	0.5
179.05559	3.8
179.10719	1.0
179.14310	3.2
185.04594	0.4
195.13843	15.1
196.14384	1.1
205.12288	7.7
206.12596	0.4
211.13414	0.8
221.06639	1.3
223.13348	70.0
224.13710	3.7
225.00600	0.4
225.14857	0.9
228.13666	0.6
229.74283	0.5
235.08232	3.2
253.09093	1.6
256.13165	0.8
263.07681	0.5
265.21838	0.4
275.20163	5.5
276.20584	0.4
287.07794	0.7
291.19626	1.0
293.21219	100.0
294.21545	6.2
305.08731	1.4
309.20758	0.5
317.21533	0.4
323.09912	1.0
325.18207	0.4
326.18832	0.4
379.12350	2.7
397.13486	35.1
398.13971	2.0
406.20407	0.3
415.14566	12.6
416.14615	0.5
499.34238	0.6
581.29053	0.4
603.26379	4.0
604.26776	0.4
621.27618	9.3
622.28149	1.4
673.34961	1.6
691.35553	2.5
897.45453	2.8
898.45966	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
63.30003	2.1
71.01241	8.5
71.57940	3.9
72.99181	3.7
73.02850	2.0
75.00747	22.0
80.96396	4.2
85.02816	3.6
85.62412	2.1
87.00767	2.7
89.02318	5.0
95.04897	2.9
96.95910	4.0
97.02803	3.2
97.06429	2.9
101.02327	7.5
104.53650	2.3
109.06468	3.5
111.08028	10.4
113.02336	6.5
121.06504	2.7
123.92296	2.6
125.09649	4.7
125.23811	2.4
135.48196	2.7
137.09628	3.3
163.11201	5.2
165.12762	4.5
167.10654	2.4
169.12274	3.6
171.10155	6.3
183.01012	4.5
183.13747	3.5
185.11662	5.3
190.67480	2.5
191.10680	2.4
191.14325	7.2
195.13802	3.5
197.11763	43.4
207.10147	4.7
209.11789	16.3
211.13303	10.2
225.11215	3.2
226.11731	2.3
227.12860	3.4
235.08133	3.6
237.11362	4.0
245.19127	15.8
253.09268	27.8
263.20148	7.7
289.18100	81.2
290.18478	6.2
291.19724	38.6
293.21191	3.1
307.19165	67.4
308.19370	5.0
309.17587	6.2
309.20673	100.0
310.21054	4.7
311.16888	14.4
325.18292	4.7
387.54062	2.4
394.12979	2.8
438.09763	2.9
441.16299	2.7
525.26245	3.1
543.27478	3.5
545.29498	3.0
836.48621	3.5
895.48651	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	895.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03310	2.2
70.14215	8.5
71.01247	11.3
72.99188	5.0
73.02816	2.0
75.00729	1.9
78.95763	4.1
80.96391	6.0
81.03338	2.0
82.10020	1.7
83.01263	2.4
83.04900	3.0
85.02826	2.7
87.00751	5.4
89.02327	5.0
90.41380	1.8
97.02817	2.4
97.06477	6.0
101.02295	10.7
104.73604	1.9
109.06451	2.7
111.08040	12.2
113.02335	4.3
123.07996	2.1
125.09591	5.3
127.07520	2.0
137.09607	3.0
151.11191	2.3
160.08769	2.0
161.04382	3.2
163.11180	8.2
164.98581	2.3
165.12764	4.8
169.12265	7.0
171.10158	3.6
179.05453	2.1
179.10677	2.0
181.12276	4.7
185.11797	4.9
191.10730	2.1
191.14313	6.6
194.15178	2.1
197.11763	70.0
198.12054	2.8
199.13333	4.8
207.10135	4.1
209.11780	21.1
211.13367	11.5
225.11333	2.6
227.12837	4.4
235.08145	5.9
237.11264	4.6
245.19012	15.5
253.09251	29.5
255.23181	2.9
263.20108	13.4
264.20209	2.0
280.50095	2.0
289.18073	77.3
290.18420	4.7
291.19675	31.0
292.20013	2.1
307.19159	75.7
308.19522	6.4
309.20691	100.0
310.21054	6.9
325.18591	2.9
445.21002	3.5
543.28003	6.5
545.29242	2.8
599.39294	2.3
763.42212	2.1
835.48230	3.3
895.48309	11.4
896.49542	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	895.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03324	1.9
69.48131	13.3
71.01250	8.6
78.95782	2.7
80.96378	4.8
81.03337	1.7
83.01261	3.1
83.04885	1.9
84.54941	1.4
85.02827	4.2
87.00774	3.5
89.02327	6.0
95.04853	1.6
97.02820	10.6
97.06471	5.9
99.00779	1.6
101.02332	6.8
109.06501	3.1
111.08012	2.9
111.37617	1.4
113.02340	4.4
119.08527	2.7
121.06434	2.4
123.04399	3.7
123.08050	3.5
125.09632	8.5
135.07956	2.1
137.09622	6.7
150.72545	1.5
161.04498	3.9
163.11197	8.4
165.12810	7.9
171.10219	4.9
181.12296	3.8
183.13791	1.9
185.11714	8.1
191.14336	8.6
193.12329	1.8
197.11752	10.6
207.10098	4.7
209.11803	23.3
211.13380	5.5
225.11307	4.8
227.12859	6.2
235.08214	5.5
237.11220	5.9
245.19116	15.6
247.20612	5.0
253.09270	29.8
263.20197	6.1
271.17026	2.5
273.18683	3.1
289.18088	95.8
290.18484	6.6
291.19656	58.2
292.19995	6.2
293.21027	2.1
307.19141	79.0
308.19467	5.0
309.20691	100.0
310.21082	6.6
325.18478	4.1
391.41840	1.5
525.27179	3.7
543.27991	4.0
545.29999	2.1
695.95337	2.0
835.49219	3.2
895.46191	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	893.516
Annotation	Unknow
Peak:m/z	Relative Intensity
70.07047	3.4
78.95776	20.4
87.49384	0.7
96.96827	2.1
150.61816	0.7
152.99492	34.4
155.07532	0.6
166.72519	0.7
171.00603	1.5
227.03235	3.0
245.04222	1.0
255.23264	94.5
256.23602	4.9
309.27463	0.7
409.23566	1.9
483.27267	100.0
484.27536	9.1
854.53516	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	100.0
72.66360	2.3
73.02782	2.9
75.00696	1.8
75.77992	2.1
81.03281	2.1
83.04895	2.7
85.02809	9.3
87.00771	5.9
89.02323	18.1
96.95882	8.6
97.02820	9.5
99.00735	2.6
101.02325	16.3
105.01828	3.2
109.06464	17.0
111.00742	3.1
113.02335	8.8
119.03368	4.8
120.97633	2.1
121.06454	2.0
125.02331	6.5
143.03392	5.5
152.31750	1.9
161.04395	2.8
163.11166	12.9
171.10211	11.5
179.05547	4.7
181.12218	6.3
183.13820	6.7
185.11700	2.7
193.12212	2.3
197.11674	2.2
199.13399	3.8
201.11263	9.8
204.36690	2.5
207.10228	45.7
208.10551	3.8
209.11775	16.1
211.13351	54.3
212.13715	3.5
221.06554	3.6
225.11253	37.2
227.12770	8.1
229.50545	3.1
235.08176	3.2
243.12312	3.5
259.13342	5.0
277.14612	2.9
348.59341	2.7
379.12622	3.1
391.24866	3.2
397.13504	25.5
401.23431	2.4
415.14746	10.8
419.24545	4.3
486.14438	2.6
605.24103	6.7
623.25458	9.2
799.37939	10.2
817.38678	20.8
818.39221	4.6
835.40100	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03308	1.3
71.01254	6.0
72.99180	1.4
73.02802	1.1
78.73382	0.8
78.95772	1.7
80.02516	1.0
80.96388	1.4
81.03327	2.8
81.34247	0.9
83.01252	3.1
83.04893	2.6
85.02798	2.4
87.00744	2.2
89.02308	4.0
95.01231	1.4
95.04892	2.2
96.95928	1.0
97.02834	2.4
97.06454	5.7
98.20733	0.8
101.02319	6.6
109.06455	1.5
113.02301	2.6
119.03376	1.0
119.08587	1.2
121.06473	1.3
123.04396	3.9
123.08044	1.9
125.09618	8.9
135.08098	1.8
137.09575	3.0
138.74039	0.9
141.12775	1.4
149.05986	1.2
152.99513	1.0
161.04440	2.8
163.07634	0.9
163.11162	7.7
165.12743	1.4
165.47926	0.9
171.10147	1.8
177.12726	1.3
181.12213	2.0
185.11751	12.8
191.10724	2.4
191.14311	12.2
207.10219	6.0
209.11768	26.4
210.12131	1.3
211.13354	2.1
213.11237	1.3
217.15979	1.0
225.11269	3.9
235.08208	3.1
237.11305	4.3
245.19072	21.7
246.19191	1.5
253.09256	14.1
255.23268	5.4
263.20139	5.3
271.17072	3.3
289.18088	100.0
290.18353	7.4
291.19669	1.5
305.17627	1.5
307.19135	84.9
308.19449	7.0
309.20721	1.5
325.18698	0.9
377.51883	1.0
397.13858	1.3
499.52383	1.1
525.26819	2.1
543.28101	3.0
548.58356	1.1
735.39648	1.4
815.45959	1.3
893.47192	4.6
894.47498	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	893.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
69.86250	0.4
69.86663	0.6
71.01256	0.5
72.99178	14.4
75.00745	20.6
77.80534	0.2
80.96387	0.2
85.02830	0.4
87.04419	0.2
89.67550	0.2
96.95866	0.9
99.04396	0.3
101.02361	0.3
113.02338	0.5
122.73152	0.2
123.04407	0.5
133.04959	100.0
134.05298	2.1
135.04420	2.4
139.03882	0.2
161.04457	0.4
162.47144	0.1
171.10144	0.2
172.08005	0.2
173.34343	0.2
175.07568	0.4
176.08293	0.3
179.00002	0.2
189.09138	0.2
209.11707	0.3
244.14647	6.7
245.15076	0.5
259.16959	1.4
260.17429	0.2
270.12698	0.3
286.39740	0.2
303.15994	2.7
304.16519	0.3
345.17157	0.8
378.13483	0.2
387.18152	0.5
447.20209	4.2
448.20554	0.5
465.21362	2.5
505.16251	0.2
553.24512	0.2
571.25562	1.1
609.25659	0.7
629.26080	1.0
653.24481	0.4
687.30176	1.5
731.29327	2.6
732.29700	0.4
889.03851	0.2
893.34338	4.4
894.34784	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
77.55993	0.3
78.95774	5.9
90.18031	0.3
110.97733	0.4
110.98420	4.5
152.99475	0.4
167.01088	2.2
168.89429	0.3
169.26981	0.3
174.94762	0.3
185.02116	4.0
259.20618	0.8
275.19766	0.4
277.21713	100.0
278.22070	6.7
401.87582	0.3
421.87405	0.3
445.23584	44.0
446.23926	3.7
563.01196	0.3
917.61938	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	892.5561
Annotation	Unknow
Peak:m/z	Relative Intensity
65.19415	0.5
71.57893	0.7
78.95779	16.8
110.98395	1.1
122.00047	1.1
140.01109	4.5
152.99475	2.9
167.00967	0.8
196.03729	8.2
201.15752	0.5
214.04807	2.4
226.32364	0.5
255.23270	100.0
256.23602	7.0
265.41547	0.5
277.21628	4.8
278.22110	3.0
445.23505	4.4
446.23779	3.3
452.27826	88.9
453.28073	8.0
498.69547	0.5
541.44043	0.7
745.84442	0.5
779.07495	0.6
808.82996	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.5535
Annotation	Unknow
Peak:m/z	Relative Intensity
64.68996	0.5
78.95779	75.2
96.96842	5.8
98.20574	1.3
140.01125	1.5
142.31636	0.7
150.97954	2.0
152.99495	100.0
153.99681	0.6
160.64491	0.5
171.00583	2.4
191.08696	0.6
196.03741	4.0
214.04810	0.8
255.23347	1.5
271.86661	0.6
283.26431	39.8
284.26797	2.1
409.23621	52.7
410.23740	2.9
480.30984	34.8
480.38156	1.0
481.31415	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	891.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
70.86189	0.5
70.86523	1.1
71.01253	15.3
72.99181	1.3
73.02822	0.6
73.45901	0.4
75.00742	2.0
83.01267	0.5
84.18796	0.4
85.02814	1.7
87.00764	0.7
88.05436	0.4
89.02312	18.3
93.03359	0.7
95.01259	1.0
101.02322	10.4
108.07499	0.4
113.02332	8.0
115.03889	1.7
119.03375	9.7
119.04886	1.2
121.06495	0.6
123.04427	1.4
128.64758	0.4
131.03387	0.8
133.04938	2.3
136.68649	0.4
143.03401	0.9
149.04424	1.0
161.04517	0.7
165.05486	10.2
179.05536	2.1
221.09216	0.5
237.06165	0.6
277.09088	0.4
290.37024	0.4
295.10333	100.0
296.10672	5.3
313.86850	0.4
325.14200	0.4
327.10962	1.0
359.27075	0.4
373.43439	0.5
464.41864	0.5
563.20380	0.7
788.90808	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
64.44683	2.6
70.64194	6.2
71.01249	19.5
72.99184	2.8
73.02821	3.0
80.96393	7.0
82.96045	2.9
87.00810	2.8
89.02317	12.2
94.97957	2.9
101.02337	15.6
113.02338	6.8
125.02340	7.7
129.17384	2.6
161.04485	3.8
171.10184	100.0
179.05415	2.9
209.11798	11.0
210.12096	5.6
210.13974	2.6
212.16284	3.3
229.14421	5.4
235.08171	7.3
241.03691	2.5
277.21747	56.4
278.22058	7.1
279.93109	3.3
287.07657	3.1
293.21216	7.1
305.08603	3.8
311.16830	5.4
325.18484	6.8
358.38104	3.0
379.12491	15.1
397.13489	49.4
415.14734	8.3
462.87424	2.9
675.36255	3.8
889.48956	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	889.4951
Annotation	Unknow
Peak:m/z	Relative Intensity
64.32906	4.8
71.01245	22.9
71.58042	7.3
72.94669	5.2
79.95592	7.7
80.96392	20.6
82.62254	5.3
85.02815	10.1
89.02329	16.1
92.12962	4.8
94.98048	6.6
101.02337	18.6
106.02934	5.2
113.02306	13.1
120.69779	5.4
122.63761	4.7
125.02340	7.0
127.11217	5.6
133.04901	7.2
161.04486	7.2
165.48196	4.8
171.10184	100.0
172.10489	7.7
209.11781	14.6
210.12135	9.3
225.00595	6.9
229.10767	7.6
277.21722	75.6
278.22122	13.0
289.84564	5.0
311.16998	8.9
325.18506	20.2
379.12354	14.8
397.13510	50.7
415.14606	9.9
460.05988	5.3
658.01038	6.9
677.72882	5.3
889.47699	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.5454
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58366	2.4
78.95776	6.2
110.98426	3.6
122.34590	1.7
161.91130	1.5
167.01097	3.0
185.02119	3.8
198.21475	1.6
279.23297	100.0
280.23630	5.6
380.54053	1.6
447.25113	39.3
448.25635	3.0
474.01938	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98691	1.2
65.93547	1.1
69.03357	1.2
71.01250	19.2
72.99168	2.2
73.02812	3.2
75.00751	1.3
78.95767	1.8
79.95588	1.6
80.96375	4.1
81.03285	1.7
83.01235	1.7
85.02808	4.1
87.00748	3.2
89.02318	11.5
95.01209	1.5
97.02835	1.6
99.00789	1.3
101.02314	9.8
113.02323	6.4
116.92722	1.3
119.03384	2.9
125.02324	3.8
125.09567	1.4
127.11176	1.7
135.77158	1.1
151.11246	2.6
161.04428	2.1
165.03880	1.6
165.17339	1.1
165.94481	1.3
169.12254	24.2
170.05153	1.2
171.10173	46.6
172.10464	1.4
184.17305	1.5
197.02745	1.2
201.11136	1.4
206.10341	1.1
209.11717	2.4
212.38567	1.4
213.11217	1.9
221.06572	1.5
231.12503	1.8
235.08183	1.5
267.80182	1.3
277.21716	42.7
278.22031	2.8
293.21124	1.7
297.15469	2.2
309.20496	1.7
311.16830	2.4
325.18317	4.6
379.12418	1.5
397.13580	8.8
482.30231	1.3
675.35651	1.3
736.36084	1.4
871.46716	4.2
889.47980	100.0
890.48114	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03322	1.1
69.62669	0.8
71.01247	9.5
71.58491	1.8
72.99164	1.3
73.02809	2.0
77.01546	0.8
83.01257	2.4
85.02825	8.1
92.25968	0.8
96.95892	10.8
97.02821	1.9
99.00739	1.1
101.02331	7.2
103.69314	0.9
111.00780	1.8
112.93628	1.7
113.02318	3.5
121.06478	1.2
122.06015	1.6
135.08015	2.4
136.05217	1.0
137.06046	1.0
149.06013	8.4
150.06766	95.2
151.07118	1.8
152.07100	1.5
161.09590	1.1
162.06760	12.0
163.07547	41.7
164.08345	27.5
171.10120	1.5
176.08345	1.5
177.09097	12.8
178.09850	3.7
179.10693	72.8
180.10994	3.0
209.11736	1.3
212.84360	0.8
225.11189	1.4
229.14278	1.3
253.09204	1.1
327.21735	2.5
343.21259	1.4
397.13696	1.5
461.31302	1.3
464.34915	6.4
478.36475	1.5
479.37274	12.8
480.38193	2.0
542.47028	1.1
623.41809	14.2
624.41681	2.1
626.40295	7.0
640.41907	33.1
641.42639	100.0
642.42987	13.5
682.42725	1.5
683.43756	27.9
684.44043	4.7
785.46924	18.2
786.46655	4.0
803.48083	9.3
804.48322	1.9
845.48999	46.3
846.48871	9.5
889.42010	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03316	1.1
69.65195	2.3
71.01246	15.8
72.99169	1.5
73.02817	2.2
75.00735	0.5
80.96392	0.5
81.03310	0.9
83.01256	2.1
85.02817	3.5
87.00739	4.3
89.02315	12.7
95.01247	1.4
97.02811	2.3
98.20548	0.5
99.00748	1.0
99.04366	0.4
101.02309	10.9
109.02811	0.5
111.00749	0.5
111.04353	0.4
113.02319	7.1
115.03860	0.6
119.03394	3.3
125.02324	6.1
125.09593	1.0
127.11165	2.5
131.03412	0.6
139.03894	0.4
143.03358	2.4
153.09148	0.7
153.38905	0.4
161.04456	3.9
163.63037	0.4
167.03413	0.4
171.10165	100.0
172.10516	3.3
179.05513	3.4
199.06017	0.8
213.11201	0.9
217.07137	1.3
221.06639	1.1
234.30914	0.4
235.08127	5.2
253.09238	1.1
259.08194	1.2
277.21695	56.3
278.22076	3.5
287.07513	1.9
305.08768	2.0
323.09833	1.2
369.42746	0.4
379.12402	13.0
380.12766	1.0
382.43759	0.5
397.13467	37.3
398.13773	2.2
415.14514	8.8
457.17435	0.4
551.23370	3.8
569.24329	3.8
610.63000	0.4
657.34546	0.9
675.36224	2.7
889.48877	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4719
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	7.1
71.01225	9.1
71.57430	9.3
73.91700	5.3
75.00725	5.8
75.63448	5.3
75.78428	5.2
78.82140	5.0
78.95776	9.5
79.95621	5.4
80.96385	18.8
85.02819	8.3
89.02351	6.3
96.95871	6.5
99.92416	5.5
113.02261	6.0
116.92758	53.7
117.92726	6.4
124.75742	5.2
125.09595	6.0
133.05002	13.9
171.10124	23.7
197.11835	10.5
209.11781	28.3
211.13281	15.0
215.47052	7.1
221.90045	5.9
235.08185	15.9
253.09300	41.3
289.18054	49.0
290.73215	6.4
291.19525	11.7
293.21249	10.3
297.15179	15.1
307.19025	47.0
309.20673	21.9
325.20013	6.8
327.18280	8.1
327.21832	100.0
328.21851	7.8
329.89035	6.5
543.28436	11.6
545.29559	9.4
553.58990	6.1
563.30981	6.5
889.47375	69.0
890.46307	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
64.48589	0.6
64.52819	0.5
72.73530	0.6
80.04918	2.5
82.02860	1.2
85.02816	0.9
92.75221	0.5
93.03326	3.8
94.02863	13.1
94.06493	2.2
96.95880	8.3
98.19819	1.4
105.05722	0.7
106.06503	0.7
107.03666	4.2
108.04474	1.0
110.05956	0.6
111.00729	0.6
120.08075	11.9
122.06007	26.0
123.06331	0.8
129.24173	0.6
134.06006	4.7
136.03981	0.6
137.04662	0.8
138.05501	6.8
139.02617	1.8
150.05487	1.8
152.07080	54.1
153.07419	1.7
164.07013	1.4
166.04900	0.7
172.07581	0.8
179.39288	0.5
191.01917	1.0
211.12253	1.0
235.06407	0.7
236.07092	2.3
236.09407	1.1
237.07924	0.7
237.10295	1.8
238.08606	0.6
245.12947	1.8
249.04253	1.4
249.10342	2.8
250.11095	0.7
251.11946	4.9
253.13319	1.0
262.07367	1.2
263.05792	5.9
263.08282	6.2
263.11591	1.2
264.06586	14.5
264.09082	8.3
265.06940	1.0
265.09628	1.4
275.05844	1.3
276.06586	5.6
276.09140	1.6
277.07043	1.1
277.09793	6.4
278.10983	6.4
279.11368	23.6
280.11499	0.9
290.07928	1.0
291.11386	10.3
292.11884	1.6
295.11057	0.7
303.13449	0.8
304.09671	2.6
305.09604	0.9
322.09854	1.2
323.10379	5.6
327.21622	0.7
335.10275	0.8
349.09424	1.5
374.15002	0.9
375.16980	0.7
402.18390	0.8
403.16394	0.9
416.20123	1.3
426.18024	0.9
429.14532	19.3
430.14951	2.4
442.17484	1.1
443.18179	3.0
444.19241	9.6
445.19623	1.8
460.18744	2.3
461.17679	1.7
470.17242	1.6
471.17813	1.0
478.16223	1.3
479.17865	1.4
487.17627	5.5
488.18243	21.6
489.18951	4.8
505.16055	1.2
508.21997	0.7
540.23553	1.2
582.23895	0.8
594.22882	0.7
595.23444	1.0
643.23871	2.6
644.24841	2.6
645.25665	3.6
647.28894	4.0
688.26935	0.9
689.29468	2.1
691.27679	9.7
692.28229	1.2
707.31354	1.3
723.30035	0.9
733.28851	6.9
734.28931	1.6
734.50879	0.7
751.29810	100.0
752.30029	18.4
842.69824	0.7
857.34174	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
67.61411	1.9
69.62708	1.9
71.01249	2.0
73.53831	2.0
78.95786	4.1
81.70835	1.8
89.93211	2.0
90.86824	2.1
93.03351	6.6
96.95885	1.9
98.19776	4.6
108.38832	1.9
119.04924	5.7
121.02850	92.1
130.04143	2.3
131.04921	7.3
135.04443	3.9
143.04961	6.2
145.06467	6.0
147.04405	6.4
149.06023	2.2
152.99500	2.2
159.04390	4.4
160.05226	11.7
161.05986	2.7
173.06010	2.3
185.03192	1.9
196.57605	2.1
211.59900	1.9
265.14474	5.2
266.14603	2.4
295.09665	2.4
573.18719	3.0
591.18616	2.4
693.25067	3.7
711.25720	3.1
723.26721	2.2
745.25360	3.5
746.09802	2.0
801.32092	2.2
811.29645	3.6
829.29919	6.6
841.29944	9.2
853.29907	2.2
859.31268	100.0
860.31445	16.8
871.31250	59.4
872.31860	9.5
889.32465	54.7
890.32776	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	889.323
Annotation	Unknow
Peak:m/z	Relative Intensity
68.75498	2.3
69.71223	4.0
69.71645	12.0
75.66888	2.1
78.95772	4.9
93.03328	8.5
96.95905	2.4
117.03363	2.9
119.04887	9.0
119.11485	2.3
121.02854	40.1
130.04124	5.9
131.04929	8.5
135.04395	2.7
143.04922	9.4
145.06485	5.0
147.04428	7.1
152.99478	2.3
160.05144	5.8
161.05783	2.2
173.06119	2.4
235.07390	2.3
237.09402	2.1
249.08977	2.7
265.08740	2.5
287.10239	2.1
295.09802	3.6
308.28644	2.2
409.13919	2.4
705.24707	5.9
711.26050	7.6
715.24762	5.1
723.25964	8.5
727.24896	5.9
739.25183	4.2
741.27319	9.0
745.25879	7.2
757.24939	5.5
763.26575	3.3
769.26990	4.9
775.27319	3.8
781.27991	2.9
793.28723	4.5
799.28345	4.3
800.28485	2.8
805.28186	4.2
811.29474	16.1
823.29126	14.9
824.29425	4.1
829.30084	26.3
830.30676	5.2
835.28448	3.9
841.30164	39.2
842.30554	6.7
853.29956	22.7
854.30444	3.8
859.31281	100.0
860.30957	20.1
871.31274	33.9
872.31451	7.4
889.32068	55.9
890.31946	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	889.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02854	0.9
93.03336	22.9
94.02862	13.5
94.06493	5.0
96.04472	0.8
96.95893	0.6
106.06498	2.3
107.03647	8.5
108.04452	1.3
120.04473	0.9
120.08078	7.5
121.05231	0.7
122.06011	58.6
123.06335	1.7
124.07581	1.6
132.04465	0.7
134.06020	8.3
135.06763	0.6
138.05478	4.1
139.02666	3.7
149.04700	0.9
150.05528	3.1
152.07077	92.2
153.07442	3.0
164.03401	1.3
166.05014	0.8
174.05528	0.9
202.55222	0.5
205.55872	0.6
211.08717	1.2
211.12375	1.5
212.10841	0.8
215.11823	1.1
223.08725	2.2
223.12326	0.8
224.09404	1.2
225.10226	2.4
235.08691	1.6
235.12434	1.7
236.07231	1.0
236.09497	1.7
237.10226	4.8
238.08723	0.6
238.11069	1.5
239.11868	1.9
243.11427	0.6
245.12868	0.9
247.12469	1.0
249.06749	0.7
249.08037	0.6
249.10281	3.3
250.07416	2.2
250.11105	1.4
251.08145	1.4
251.11859	7.2
252.12413	1.4
253.13521	0.9
257.12946	0.9
261.10388	1.3
262.07553	1.4
262.10956	0.7
263.05777	1.1
263.08240	7.3
263.11835	1.6
264.06592	2.3
264.09021	8.6
265.09698	3.5
267.11523	1.0
276.08942	2.8
277.09848	6.6
278.10580	6.8
279.11380	30.7
280.11789	2.2
281.12878	0.6
289.09668	0.7
290.10522	1.1
291.11377	10.5
292.11975	1.8
295.10965	1.0
296.09247	1.0
305.09320	1.6
305.12720	0.6
307.10828	0.8
311.14029	2.2
313.13504	0.8
322.09586	0.8
323.10339	5.6
325.12067	1.6
326.13605	0.8
327.11441	0.9
327.82153	0.6
328.12115	0.6
329.12781	1.2
329.16531	1.7
330.13620	1.7
331.14520	3.9
335.10358	0.9
338.12927	0.7
341.16531	1.1
343.10837	2.7
343.14542	1.5
344.15060	1.4
345.16055	3.6
353.16373	0.9
355.13055	2.4
356.11633	2.3
357.12250	4.8
371.14001	8.8
372.14301	1.3
373.15665	1.1
374.15277	1.0
375.66129	0.6
376.20309	1.7
382.56107	0.6
383.13800	0.7
385.15588	2.2
386.19162	0.7
402.18256	1.6
403.18488	0.7
415.12881	5.2
416.13855	0.7
416.19806	1.9
426.17917	0.9
429.14828	2.3
437.18967	1.0
442.18225	1.1
443.18558	1.8
444.19205	6.7
445.20084	1.0
446.17065	0.7
448.18542	1.4
460.18726	2.7
461.17462	1.7
470.17303	2.9
479.21176	0.9
487.17303	1.4
488.18246	21.0
489.18799	3.8
495.21729	1.0
496.22498	1.7
507.21460	0.9
508.18173	5.0
509.19559	0.6
510.23856	2.1
520.20972	8.0
521.21234	1.1
522.20270	1.0
537.22192	1.1
538.22723	0.9
540.21887	3.2
541.21399	1.1
554.23114	2.9
581.21490	1.2
582.22870	1.8
595.23407	0.9
602.27319	0.8
612.23474	0.6
613.24268	27.4
614.24792	7.5
616.25690	1.2
617.25830	1.2
620.28174	1.2
626.24884	1.6
627.24854	0.7
644.27679	0.9
646.25409	0.7
647.27002	1.1
658.26208	1.6
659.27710	1.0
688.26642	13.0
689.27039	1.9
691.27460	7.6
692.28381	1.5
720.29260	100.0
721.19373	0.4
721.29584	19.4
723.30298	27.0
724.30615	5.3
733.28729	14.0
734.29150	2.3
751.29663	10.0
752.30103	2.2
765.31525	14.5
766.31482	3.4
783.32727	6.6
784.32739	1.4
839.33112	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
70.87624	11.1
71.51147	4.9
78.95782	12.2
82.60009	4.7
93.03349	16.4
96.95875	8.0
115.05434	6.4
118.05711	5.5
119.04959	17.1
121.02849	100.0
130.04140	7.2
131.04909	21.6
135.04408	10.8
143.04924	11.5
147.04427	13.3
160.05232	14.4
165.05595	6.8
172.55901	5.0
231.08142	6.9
237.09096	6.1
247.07741	5.2
247.47910	6.0
251.07150	6.3
253.08662	8.7
259.07565	5.8
265.08658	9.3
281.54922	5.1
295.09811	7.1
297.11362	14.3
327.21942	6.6
367.13379	9.2
379.13464	12.1
383.12692	7.8
391.13382	9.0
397.14417	16.9
401.13913	8.4
409.14435	8.2
415.15350	26.3
427.15543	55.1
443.14816	9.0
445.16476	14.5
586.96936	5.5
705.25018	8.1
711.25934	8.6
723.26001	7.4
741.27490	10.0
751.27710	5.1
811.29022	9.4
823.29175	14.5
829.30042	17.8
841.30176	47.1
842.30389	12.3
853.30066	46.0
854.30542	7.4
859.30859	48.6
860.31274	10.7
871.31238	54.3
872.31793	19.6
889.31781	60.2
890.33014	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	887.4643
Annotation	Nostophycin
Peak:m/z	Relative Intensity
69.03324	1.1
71.01253	17.6
71.71777	0.8
72.99179	2.4
73.02813	2.8
75.00751	1.2
78.95729	1.3
81.03329	0.9
83.01270	1.7
83.04892	0.9
85.02816	4.9
87.00740	5.2
89.02313	15.3
95.04881	1.5
96.95874	5.0
97.02819	2.4
97.06467	3.4
98.20184	5.4
99.00783	1.2
101.02313	13.2
113.02329	7.7
116.92725	2.0
119.03361	3.1
125.02364	3.0
127.30005	0.8
133.04936	3.5
151.11169	10.7
161.04512	1.8
169.12248	75.9
170.12572	3.4
171.10150	1.9
185.04683	0.8
185.11755	1.7
195.13853	4.7
197.11690	1.2
205.12199	0.9
209.11768	4.4
210.12108	2.0
213.11266	13.8
214.11612	1.0
221.06589	3.3
223.13243	2.5
229.26912	1.1
235.08197	2.1
238.49805	1.0
253.09280	1.0
272.35022	1.1
275.20258	2.4
277.21609	1.0
293.21249	16.6
294.21536	2.3
305.71127	0.9
309.20834	1.7
397.13489	4.9
397.18024	0.8
398.13629	1.0
415.14459	2.6
436.96567	1.0
439.85797	0.8
466.04214	1.0
593.24597	1.7
611.25433	2.5
761.66425	1.1
802.71515	1.0
853.75555	1.1
887.46387	100.0
888.46722	23.8
890.02167	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
70.11573	5.2
71.01256	14.6
72.99179	2.5
73.02832	2.9
77.91219	1.2
85.02824	4.7
87.00744	3.1
89.02317	12.0
96.95363	1.3
96.95891	8.1
97.02827	2.3
97.06467	3.4
101.02314	9.6
113.02319	4.0
118.56967	1.3
119.03394	1.8
125.02310	3.4
133.04924	2.6
142.31483	1.3
143.03423	1.2
151.11220	10.3
155.10602	1.3
161.04456	1.7
169.12259	57.6
170.12587	3.2
171.10164	2.1
179.05583	1.2
185.11743	1.4
193.40173	1.3
195.13828	3.3
197.11726	2.0
209.11731	8.6
210.12090	2.4
213.11285	11.0
221.06561	3.4
223.13321	2.2
232.67430	1.7
235.08214	2.0
253.09235	1.7
275.20227	2.4
289.93408	1.4
293.21246	14.9
294.21741	1.9
309.20554	1.5
366.14673	1.6
397.13718	6.6
415.14410	2.3
426.73901	1.4
453.02332	1.3
611.25824	3.0
887.46448	100.0
888.46796	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	887.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
70.72347	9.2
71.01249	24.4
76.22372	3.2
76.69695	3.4
79.54820	3.2
85.02832	4.8
89.02319	26.4
101.02322	18.9
113.02325	9.7
119.03370	11.1
243.81186	2.9
282.00204	3.3
323.13467	100.0
324.13794	5.2
424.91504	3.3
640.68597	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	887.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	13.5
71.57589	1.6
78.95783	2.2
81.06987	2.1
83.04892	1.4
85.02831	2.6
85.69431	0.9
89.02318	15.2
96.95914	1.5
97.86542	0.9
101.02297	4.9
109.06488	4.5
113.02324	4.8
119.03386	5.2
123.04410	16.1
127.06607	2.1
127.07547	36.4
138.03122	7.0
143.03377	1.8
153.05484	100.0
154.05818	2.9
161.04512	2.7
171.06551	25.9
179.04077	1.8
179.05525	15.6
190.97185	0.9
364.26373	1.1
439.16101	81.8
440.16556	5.7
473.41492	1.2
477.87897	0.9
582.10925	1.1
619.22430	35.7
620.23016	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	885.5142
Annotation	Unknow
Peak:m/z	Relative Intensity
78.34193	1.4
78.95772	11.1
85.36409	1.3
110.98411	3.5
116.41058	1.4
136.69463	1.4
152.99486	3.4
167.01036	2.9
185.02098	4.9
277.21719	100.0
278.22076	5.5
295.22754	2.3
307.85751	1.8
308.40530	1.6
445.23627	40.4
446.23834	3.5
690.24426	1.4
782.24951	1.6
896.07251	1.5
898.79828	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	886.5206
Annotation	Unknow
Peak:m/z	Relative Intensity
65.21157	0.6
71.06847	1.6
78.35923	0.7
78.95779	57.5
96.96848	6.9
100.59953	0.6
110.65643	0.6
110.98418	1.0
150.59435	0.7
150.97925	1.8
152.99496	100.0
153.99854	1.0
167.01105	0.9
169.12172	0.6
171.00574	4.0
181.37820	0.6
184.93697	0.6
196.03757	1.9
255.23280	29.2
256.23492	1.3
277.21780	6.5
277.62759	0.6
278.22095	3.8
279.23355	1.1
280.84650	0.7
338.83124	0.7
351.53638	0.6
433.23618	38.4
434.23981	3.6
445.23495	4.8
446.23795	2.5
452.21432	1.3
452.27847	22.0
453.28067	2.6
479.45419	0.7
722.80737	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
64.87322	3.0
65.00196	5.6
69.65481	20.6
93.03321	6.1
97.02843	3.8
98.19855	3.4
109.02814	4.2
121.02846	33.3
128.72389	2.7
149.02350	4.2
152.25787	3.4
165.01834	42.0
193.01308	4.9
206.02197	3.8
242.02217	10.4
243.02956	4.6
256.03842	5.5
257.04480	4.3
269.04419	5.1
270.01657	10.9
271.02475	28.6
285.04022	44.2
286.04645	3.7
287.05759	4.3
299.01892	23.7
300.02704	9.4
313.03476	20.0
314.04321	42.6
315.05090	63.0
316.05417	3.3
447.09335	3.4
476.09714	11.7
477.10397	37.0
478.10721	5.3
519.11414	22.2
545.94086	3.6
586.00262	3.5
639.15546	52.8
640.16003	4.7
681.16675	100.0
681.28418	5.4
682.16541	15.5
710.14758	3.3
843.21960	31.2
883.36096	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	885.514
Annotation	Unknow
Peak:m/z	Relative Intensity
70.87312	2.2
70.87670	4.7
76.74712	1.9
78.95777	19.0
80.93631	1.8
96.44653	2.4
96.72485	1.7
110.98406	7.7
140.23227	2.0
152.99467	9.8
167.01030	5.5
185.02139	3.5
213.98204	1.8
241.26358	1.8
242.80147	2.0
255.23296	2.5
266.35629	2.2
277.21735	100.0
278.22012	6.0
354.32880	2.1
369.89316	1.9
445.23572	56.6
446.23901	4.1
509.27002	2.2
522.54529	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	885.487
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98697	0.3
69.03306	1.3
70.07908	1.0
71.01252	17.6
72.99169	1.4
73.02819	3.3
75.00742	0.3
78.98464	0.9
79.95608	3.2
80.02554	0.9
80.96391	8.3
81.03326	1.7
83.01268	1.9
83.04893	4.2
84.02031	0.5
85.02823	4.4
87.00751	4.4
89.02314	13.2
93.03331	0.4
94.97957	2.0
95.01267	1.0
95.04907	0.6
96.95880	0.4
97.02830	2.5
99.00759	0.9
101.02322	12.7
106.97970	0.3
109.02821	0.7
113.01534	0.3
113.02322	7.2
115.03870	0.3
119.03381	4.2
121.02884	0.4
122.97491	0.9
123.00829	0.3
125.02335	6.6
125.05962	0.4
127.03950	0.3
131.03419	0.6
133.04913	0.3
134.97450	0.5
135.08043	0.9
139.03896	0.5
141.01868	0.3
143.03401	2.4
148.99048	0.9
149.04469	0.4
151.51328	0.3
152.98553	0.8
161.04454	3.2
163.11172	3.4
164.98566	1.4
165.12766	2.5
179.05492	3.2
181.12253	0.6
185.85080	0.2
191.10718	0.6
199.06078	0.6
199.13348	0.5
207.10263	0.3
209.11760	100.0
210.12090	4.6
217.07114	0.7
221.06671	1.3
225.00700	2.5
227.12831	11.4
228.13261	0.7
229.79103	0.3
233.22842	0.3
235.08173	4.9
235.10408	0.4
251.12953	0.4
253.09235	1.1
259.08173	0.4
263.07938	0.4
277.21704	51.7
278.22003	3.4
287.07791	1.6
291.23154	0.5
305.08762	1.7
323.09952	0.6
379.12399	6.4
397.13474	38.2
398.13815	2.2
415.14532	9.3
416.14661	0.6
427.51157	0.3
528.46771	0.3
589.25439	0.4
607.26141	0.7
675.35638	0.9
710.39081	0.6
734.96960	0.3
885.46704	10.4
886.47589	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	885.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98686	0.5
66.59245	0.4
69.03326	1.8
69.74857	1.9
71.01253	23.5
72.99178	2.2
73.02817	3.7
75.00735	0.8
79.95601	3.0
80.02546	1.0
80.96400	1.9
81.03325	2.1
83.01254	2.5
83.04890	4.0
84.02033	0.9
85.02822	5.7
87.00755	5.9
89.02312	18.2
91.03813	0.4
93.03330	0.8
95.01257	1.5
95.04868	0.8
96.95899	2.1
97.02814	3.1
99.00758	1.9
101.02318	18.0
109.06425	0.4
113.02327	9.7
115.03852	0.4
119.03381	5.1
121.13125	0.4
125.02320	7.1
128.03424	0.4
131.03368	0.5
133.04970	0.9
135.08072	0.6
139.03905	1.0
141.01846	0.8
143.03403	3.4
145.05019	0.8
145.06010	2.3
149.04391	0.5
161.04451	4.8
163.11147	2.4
165.12711	1.9
167.03377	0.5
167.10716	0.6
167.14336	0.6
171.10175	1.4
177.12892	0.5
179.05536	5.8
181.12297	1.0
183.13812	6.0
191.10701	0.7
193.12277	1.5
195.13824	6.5
199.06068	0.7
207.10204	0.8
209.11763	66.4
210.12114	3.7
211.13330	76.1
212.13701	3.7
217.07123	1.3
221.06569	2.6
223.13370	5.6
224.13713	0.4
225.00655	0.5
227.12813	7.5
228.13513	0.7
231.21277	0.5
232.75360	0.4
235.06310	0.3
235.08191	8.4
245.06509	0.5
253.09309	2.8
253.14406	0.5
256.13126	0.5
259.08383	0.6
263.07492	0.5
264.00256	0.4
275.20139	5.5
276.20593	0.4
277.21707	26.4
278.22116	1.8
287.07849	2.0
287.47943	0.4
293.21210	100.0
294.21552	7.0
305.08752	2.2
311.16937	0.6
323.09799	1.1
327.21619	1.9
379.12433	7.3
380.12799	0.6
397.13474	54.6
398.13751	3.7
415.14526	17.1
416.14948	1.2
487.34109	0.5
533.31744	0.4
591.26794	1.7
607.26654	0.8
609.27808	4.2
610.27240	0.5
654.28119	0.5
673.34753	0.9
691.35132	1.2
829.35443	0.5
885.48285	2.9
886.47681	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98686	0.8
63.96106	1.0
69.03331	1.0
69.81452	2.2
69.81785	0.5
69.81904	0.3
71.01251	16.8
72.99182	1.5
73.02817	2.6
75.00726	0.7
78.95777	0.6
79.95604	6.4
80.02544	1.7
80.96391	3.7
81.03330	1.8
83.01260	2.3
83.04890	4.3
84.02039	0.7
85.02828	4.7
87.00748	4.6
89.02316	13.6
90.25462	0.4
93.03339	0.5
94.97961	0.7
95.01275	1.4
95.04874	0.8
96.95888	1.2
97.02820	2.6
97.15424	0.4
98.20539	0.8
99.00748	0.9
101.02319	12.8
101.02998	0.6
103.00314	0.4
109.06471	0.4
111.04436	0.8
113.02334	7.2
115.03878	0.7
119.03376	3.5
125.02328	5.8
125.05992	0.5
131.03421	0.9
131.09126	0.4
133.04956	2.3
135.08067	0.7
139.03922	0.6
143.03435	2.0
149.04547	0.6
161.04462	2.6
163.11214	4.0
164.98572	0.6
165.12743	2.3
168.82796	0.5
179.05522	4.1
191.10724	1.1
195.13861	0.7
199.05980	0.6
207.10216	0.6
209.11760	100.0
210.12108	5.5
211.13268	1.4
217.07115	0.9
221.06590	1.3
223.13255	0.6
225.00737	0.6
225.11293	0.6
227.12831	13.7
228.13127	0.8
235.08173	5.7
253.09256	1.5
259.08359	0.5
263.07602	0.6
277.21701	54.4
278.22073	4.1
287.07800	1.2
293.21204	1.8
305.08853	1.9
311.16669	0.8
323.09790	1.1
325.18381	0.8
379.12463	5.9
397.13492	38.8
398.13751	2.2
415.14532	9.4
416.14835	0.7
607.25958	0.6
675.36017	0.8
738.62988	0.4
785.14929	0.5
885.46832	7.2
886.47150	1.3
900.59900	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
61.54293	0.4
61.98701	0.5
69.03316	1.4
71.01252	17.6
72.04057	0.3
72.99187	1.2
73.02817	3.9
78.95776	5.8
78.98457	1.7
79.95608	9.7
80.02555	1.0
80.96390	27.1
81.03336	2.1
83.01248	1.7
83.04897	5.8
84.02045	1.1
85.02814	4.1
87.00747	4.9
89.02314	10.7
94.97961	6.5
95.01279	1.4
95.04920	0.8
96.95898	0.8
96.96850	1.0
97.02824	3.3
98.20635	0.8
99.00771	1.6
101.02323	12.1
102.05486	0.8
106.97989	1.4
113.02325	6.7
119.03386	3.2
122.97451	1.0
125.02326	7.7
125.05981	0.8
127.03933	0.5
131.03401	0.9
133.04884	0.4
134.97490	1.8
135.08046	0.7
136.98970	0.4
139.04007	0.4
141.01843	0.4
143.03403	3.0
148.99077	2.4
152.98415	1.7
152.99525	1.0
154.32593	0.4
161.04474	3.3
162.91571	0.3
163.11220	4.0
164.98537	4.5
165.12784	3.0
179.05531	3.7
181.12274	0.6
191.10640	0.9
197.02617	0.4
199.06152	0.6
199.13341	0.8
206.99637	1.6
209.11769	100.0
210.12123	6.2
211.13342	0.6
217.07103	0.8
221.06581	1.4
225.00708	9.1
225.11380	0.4
226.01012	0.4
227.12837	14.2
228.13228	1.1
230.45010	0.4
230.47015	0.4
235.08154	4.7
241.01080	1.5
245.06686	0.6
251.12897	0.8
253.09229	1.5
255.23346	0.9
263.07877	0.5
268.15497	0.7
277.21713	47.4
278.22046	3.6
283.04947	0.9
286.16669	0.7
287.07718	1.9
291.23184	0.4
293.21204	1.0
305.08771	1.6
323.09833	1.1
325.18542	1.0
341.05518	0.6
355.07190	0.6
379.12460	5.2
397.13498	36.0
398.13742	2.2
415.14584	8.8
416.15216	0.7
421.90845	0.4
575.25714	0.4
591.24829	0.6
607.25775	0.6
608.25024	0.4
639.62445	0.4
675.35883	0.6
782.41907	1.5
809.22949	0.4
811.49878	0.4
841.45349	0.9
884.47766	0.6
885.46985	39.2
886.47339	7.5
911.92523	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98690	1.6
68.96197	0.5
69.03327	1.3
69.52810	1.0
69.53218	3.2
71.01250	20.3
72.74856	0.6
72.99184	1.5
73.02813	3.5
75.00748	1.0
78.98460	2.4
79.95601	12.5
80.96391	32.4
81.03327	1.7
83.01269	2.8
83.04888	5.1
84.02039	0.8
85.02810	4.9
85.86713	0.7
87.00755	4.4
89.01752	0.7
89.02310	13.0
94.97958	7.8
95.01237	0.7
95.04966	0.7
96.95895	0.7
97.02826	3.1
98.95502	0.6
99.00766	1.3
99.04380	0.6
101.02322	12.7
102.02625	0.7
106.97954	1.2
111.04420	0.7
113.02325	8.1
119.03400	3.2
122.97463	1.3
125.02319	6.8
125.05978	0.7
127.03960	0.7
131.03412	0.5
134.97462	2.3
135.08054	0.8
136.99002	0.7
143.03374	2.4
148.99020	3.9
152.98537	2.9
161.04477	4.8
163.11191	3.8
164.98546	5.5
165.12700	1.8
179.05524	2.6
191.10751	1.2
199.13228	1.0
200.44455	0.5
206.99648	1.3
209.11761	100.0
210.12080	5.5
211.13376	0.7
217.07156	0.8
221.06560	1.3
225.00679	9.5
227.10718	1.0
227.12862	13.7
228.13206	0.6
235.08174	4.9
242.45926	0.5
251.12849	0.9
253.09291	1.9
263.07773	0.8
277.21713	54.3
278.22086	4.9
283.04889	1.4
287.07486	1.0
305.08643	1.7
323.09729	1.2
341.05554	0.7
379.12418	6.0
380.12582	1.0
397.13501	41.1
398.13580	2.9
415.14548	9.8
416.15036	0.8
591.24976	1.1
607.25299	1.4
710.38635	1.3
806.65808	0.6
885.46692	36.8
886.47186	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	885.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96095	1.6
69.03332	1.3
69.59073	1.3
69.59483	5.5
71.01253	24.9
72.99163	2.0
73.02820	4.2
78.95776	10.2
78.98468	6.1
79.95602	30.8
80.96390	78.4
81.03314	1.4
83.01261	2.7
85.02821	7.1
85.04172	0.8
87.00752	8.3
87.29420	1.0
89.02316	13.6
94.97959	16.2
95.01199	1.0
96.95859	2.8
96.96825	1.6
97.02823	5.1
98.20656	0.9
99.00790	1.5
99.04348	1.0
100.92265	0.9
101.02319	14.6
102.05492	1.6
106.97977	4.7
109.06447	0.9
113.02332	6.6
119.03383	3.4
122.97441	4.0
125.02350	8.2
130.07994	1.1
134.97475	6.7
136.99025	1.5
142.37834	0.9
143.03368	2.7
144.47729	0.9
148.99092	5.3
152.98520	6.3
152.99501	1.6
153.12732	2.4
161.04457	3.7
163.11232	1.8
164.98526	12.9
165.12859	1.9
171.10149	1.3
179.05504	2.6
181.12233	2.2
199.13342	4.0
206.99550	5.4
209.11772	30.2
210.12064	3.7
211.13358	1.6
221.06502	1.2
223.00108	1.1
225.00677	22.3
225.11302	1.9
227.12833	86.8
228.13281	4.5
235.08337	5.0
241.01045	2.8
253.09198	1.7
255.23187	2.0
268.15601	1.1
277.21710	46.5
278.22003	4.9
283.04932	3.1
287.07715	2.2
293.21234	2.9
294.21579	1.1
305.08685	1.3
325.18451	3.1
341.05490	2.4
355.35208	0.9
379.12439	5.9
397.13507	40.5
398.13763	2.6
415.14630	10.1
445.23642	1.1
591.24756	2.1
607.25946	3.0
625.27142	1.4
657.34601	1.4
782.41620	2.2
885.46881	100.0
886.46869	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.466
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	17.7
63.96113	1.8
69.03337	1.5
71.01249	22.8
72.99174	2.0
73.02814	4.0
78.88438	0.8
78.95771	1.6
78.98472	7.3
79.16695	0.7
79.95605	36.1
80.96390	92.6
81.03321	2.4
82.00276	1.0
82.95974	0.8
83.01251	1.9
83.04897	2.6
85.02824	5.7
87.00745	6.9
89.02314	9.8
94.97961	20.9
95.01249	2.2
96.95876	2.1
97.02814	4.1
99.00751	2.6
101.02317	13.2
106.97968	2.6
113.02318	5.7
119.03373	1.6
122.97482	4.5
125.02322	7.3
127.03895	1.7
134.96471	1.0
134.97469	6.2
135.08089	1.1
135.74040	0.7
136.98979	2.5
143.03349	2.1
146.81705	0.9
148.99039	7.9
152.98515	5.9
161.04457	3.0
163.11180	3.0
164.98547	15.3
165.12776	1.1
169.12215	0.7
179.05489	2.4
181.12360	1.0
188.31441	0.8
197.11713	1.1
199.13332	1.3
199.98523	0.8
206.99609	4.1
207.10149	3.0
208.10524	1.1
209.11772	58.6
210.12067	2.7
221.06631	1.3
223.13028	0.9
225.00710	26.8
225.11227	3.3
226.11595	1.9
227.12912	9.3
235.08183	3.3
241.00481	0.8
243.12372	1.1
244.12585	0.8
271.19879	0.8
277.21716	33.6
278.22015	3.7
283.04889	2.7
287.07993	1.0
293.21234	2.1
320.32660	0.8
341.05408	1.5
355.07349	1.7
379.12357	4.2
397.13489	24.3
398.13821	1.6
415.14560	6.4
582.53516	0.9
591.24658	2.8
592.25000	0.8
606.25763	0.8
607.25806	1.0
663.27161	1.1
710.38385	1.9
812.50623	1.6
885.46716	100.0
886.47052	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	885.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
82.39400	4.6
98.20170	30.7
100.57727	4.4
111.00758	5.3
151.00217	8.4
151.20164	4.7
160.08397	4.5
162.26842	5.0
207.33162	5.2
216.22562	5.0
243.02885	9.4
255.02991	22.1
268.35950	4.7
271.02454	48.0
300.02780	69.5
301.03476	31.8
504.08612	7.9
505.09772	100.0
506.10223	17.6
746.10889	6.0
831.35590	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	883.5418
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	38.9
62.90602	2.6
63.52939	2.7
71.01234	19.3
72.46348	2.7
73.02821	3.6
78.95783	6.0
78.98437	3.6
79.95609	4.6
80.96386	34.9
81.03291	3.6
82.95978	7.8
85.02824	9.0
87.00728	4.3
89.02303	5.9
94.97962	8.6
97.02813	3.0
98.20544	6.9
101.02308	9.9
109.06454	4.2
113.02306	5.9
114.85349	2.7
142.72350	2.6
161.04358	2.9
161.09596	3.0
164.98515	6.5
171.10167	17.6
192.73470	3.0
207.10211	16.4
209.11681	3.5
211.13326	9.3
225.00691	7.1
225.11234	5.7
229.14395	4.2
235.08165	15.0
253.09200	28.0
277.21701	100.0
278.22012	7.4
291.19623	7.0
293.21152	3.1
309.20596	11.3
327.21704	56.8
350.04315	3.1
397.13153	9.1
402.18759	2.5
500.63193	2.5
545.29645	6.1
563.31116	4.2
587.43164	3.8
663.90668	3.1
733.10876	3.1
798.76361	2.9
882.48865	3.5
883.48676	42.1
884.47260	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	883.4707
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98691	2.7
68.86706	0.5
69.03327	2.3
69.44542	0.6
70.03445	2.9
71.01250	20.7
71.04892	3.1
72.99176	1.9
73.02808	2.9
75.00733	1.3
78.95770	2.2
78.98489	0.9
79.95619	3.5
80.96388	11.9
81.03320	1.4
83.01252	2.9
83.04887	1.8
85.02812	6.0
87.00749	7.9
89.02318	11.6
94.97955	2.1
95.01258	1.7
95.04890	1.4
96.95864	1.0
97.02820	13.9
97.06470	2.3
99.00753	26.0
101.02321	11.8
109.02843	0.8
109.06474	3.1
110.03613	1.8
111.04391	1.4
113.02332	6.8
119.03384	2.2
123.04375	1.2
123.08047	1.8
123.95651	0.6
124.01562	0.8
125.02331	8.9
125.09608	7.9
131.03386	0.8
134.97488	1.4
135.08069	1.6
136.05186	1.7
141.01808	0.7
142.02588	3.6
143.03392	1.7
145.10056	0.7
148.99002	1.0
152.98416	1.2
161.04478	2.8
161.09579	1.2
163.11197	13.8
164.11385	0.7
164.98541	2.2
172.71960	0.6
179.05482	2.2
179.10657	0.8
181.12260	21.4
182.12589	1.1
189.09076	0.9
197.11700	0.9
199.13326	3.5
207.10194	70.4
208.10562	3.3
209.11752	0.9
211.13472	0.7
219.05128	0.6
223.13348	0.8
225.00748	3.3
225.11264	100.0
226.11536	4.2
235.08206	5.2
243.12343	36.4
244.12621	1.0
253.09360	1.5
263.07620	3.4
267.12354	1.4
277.21710	69.2
278.22104	4.0
278.80170	0.6
285.52554	0.6
293.21286	1.0
299.15033	0.7
317.16013	1.8
327.21780	1.3
379.12451	2.8
397.13464	12.6
415.14484	2.6
489.19400	0.9
565.30499	0.8
577.37494	0.9
605.24481	20.7
606.24762	2.8
618.51593	0.8
618.88580	0.8
623.25598	12.1
624.25793	1.0
766.16699	0.7
843.59747	0.7
883.46759	85.8
884.47058	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	883.4707
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98691	2.7
68.86706	0.5
69.03327	2.3
69.44542	0.6
70.03445	2.9
71.01250	20.7
71.04892	3.1
72.99176	1.9
73.02808	2.9
75.00733	1.3
78.95770	2.2
78.98489	0.9
79.95619	3.5
80.96388	11.9
81.03320	1.4
83.01252	2.9
83.04887	1.8
85.02812	6.0
87.00749	7.9
89.02318	11.6
94.97955	2.1
95.01258	1.7
95.04890	1.4
96.95864	1.0
97.02820	13.9
97.06470	2.3
99.00753	26.0
101.02321	11.8
109.02843	0.8
109.06474	3.1
110.03613	1.8
111.04391	1.4
113.02332	6.8
119.03384	2.2
123.04375	1.2
123.08047	1.8
123.95651	0.6
124.01562	0.8
125.02331	8.9
125.09608	7.9
131.03386	0.8
134.97488	1.4
135.08069	1.6
136.05186	1.7
141.01808	0.7
142.02588	3.6
143.03392	1.7
145.10056	0.7
148.99002	1.0
152.98416	1.2
161.04478	2.8
161.09579	1.2
163.11197	13.8
164.11385	0.7
164.98541	2.2
172.71960	0.6
179.05482	2.2
179.10657	0.8
181.12260	21.4
182.12589	1.1
189.09076	0.9
197.11700	0.9
199.13326	3.5
207.10194	70.4
208.10562	3.3
209.11752	0.9
211.13472	0.7
219.05128	0.6
223.13348	0.8
225.00748	3.3
225.11264	100.0
226.11536	4.2
235.08206	5.2
243.12343	36.4
244.12621	1.0
253.09360	1.5
263.07620	3.4
267.12354	1.4
277.21710	69.2
278.22104	4.0
278.80170	0.6
285.52554	0.6
293.21286	1.0
299.15033	0.7
317.16013	1.8
327.21780	1.3
379.12451	2.8
397.13464	12.6
415.14484	2.6
489.19400	0.9
565.30499	0.8
577.37494	0.9
605.24481	20.7
606.24762	2.8
618.51593	0.8
618.88580	0.8
623.25598	12.1
624.25793	1.0
766.16699	0.7
843.59747	0.7
883.46759	85.8
884.47058	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	881.5288
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	17.2
64.68642	2.4
71.01250	24.0
73.02840	3.7
78.95779	17.6
79.95602	9.9
80.96387	50.1
85.02834	7.2
87.00777	5.3
89.02328	10.2
94.97961	11.4
96.96855	4.4
100.78308	2.8
100.83485	2.7
101.02322	14.9
111.08085	12.3
113.02322	7.9
119.03398	3.1
122.97490	3.2
125.02306	4.8
134.97533	3.7
142.99786	3.1
148.99031	3.4
152.99570	3.6
161.04454	7.0
164.98543	6.9
169.12323	3.0
171.10181	12.4
179.05399	4.5
181.12294	5.0
183.13893	3.4
195.13866	7.2
197.11766	53.9
199.13420	4.0
201.11253	21.7
209.11766	29.1
211.13408	12.9
223.13286	7.3
225.00642	13.8
225.11305	4.6
227.12843	6.9
229.27806	3.2
235.08162	6.1
241.01122	7.2
253.09282	37.3
255.23236	32.7
256.23627	4.8
263.20056	3.9
275.20078	4.8
277.21738	14.3
289.18082	4.4
291.19684	23.6
293.21198	100.0
294.21545	5.8
309.20694	78.7
309.90463	2.5
310.21075	3.1
397.13348	21.1
398.13791	5.5
406.14194	2.7
415.14783	4.9
420.49997	3.0
545.29980	5.5
585.41473	4.0
607.49542	2.9
789.11725	3.0
881.49518	58.5
882.50055	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	881.518
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98685	1.8
71.01253	34.9
71.57808	2.5
72.99181	3.1
73.02829	3.2
78.95774	8.0
79.95609	2.2
80.96377	7.1
81.03336	1.9
83.01254	4.2
83.04890	4.8
85.02818	8.1
87.00753	6.1
89.02320	19.2
94.97941	2.2
95.01278	2.5
97.02827	7.3
97.66682	2.0
99.00739	3.3
101.02322	22.5
111.08052	2.4
113.02315	10.7
115.00244	2.4
119.03398	4.9
125.02341	8.0
125.09654	3.4
127.11209	2.2
137.09595	2.3
142.99696	2.6
143.03308	4.2
149.04343	1.8
152.99538	2.5
161.04456	6.5
163.11113	2.7
165.12772	3.4
171.10159	7.9
174.01570	3.1
175.02292	2.4
179.05563	5.2
185.26231	1.9
195.13965	2.3
197.11716	7.4
199.09628	2.9
201.11252	77.9
202.11497	2.7
209.11766	100.0
210.12158	4.7
211.13324	9.5
221.06522	2.6
223.13354	4.2
225.11304	3.4
227.12901	15.9
235.08208	6.4
241.00941	3.0
253.09146	13.9
255.23268	75.8
256.23639	7.5
273.18573	3.0
275.20093	4.8
277.21747	9.8
287.07874	2.4
291.19684	9.3
292.01907	2.5
293.21234	33.0
307.19135	5.6
309.20697	28.0
340.20172	2.1
379.12479	10.5
397.13516	71.2
398.13718	5.8
415.14548	11.5
507.48889	2.1
581.23914	2.6
614.79974	2.0
635.36304	2.5
653.37311	6.3
679.98584	2.3
881.49005	12.6
882.48413	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	881.5114
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98721	2.8
66.00837	1.9
68.02399	6.6
70.59953	1.9
71.01254	32.5
71.58021	2.7
72.99158	2.1
73.02826	4.1
78.95782	9.1
79.95594	4.2
80.96381	12.6
81.03336	2.8
83.01266	4.0
83.04889	7.9
85.02831	7.1
86.00014	1.8
87.00770	6.3
89.02306	24.7
93.88238	1.7
94.97977	1.7
96.44560	1.9
96.95885	3.6
97.02827	6.1
99.00736	2.2
101.02328	21.6
113.02328	10.3
119.03362	4.8
125.02333	11.6
125.09580	3.2
126.99431	10.3
127.11160	3.4
128.99141	4.5
143.03419	3.5
148.08647	1.8
161.04465	5.5
163.11037	3.2
165.09177	2.6
171.10193	8.2
179.05568	5.2
183.10130	2.2
190.10873	5.6
197.11743	3.0
201.11258	86.7
202.11603	3.7
207.10262	2.7
208.03636	1.8
209.11769	100.0
210.12115	5.2
211.13380	2.0
217.12006	49.2
218.12344	5.1
221.06667	2.2
225.00688	3.0
225.11230	2.5
227.12842	14.4
235.08134	8.4
241.01120	2.0
253.09322	5.9
255.23268	90.0
256.23593	8.2
276.09033	3.5
277.21948	4.8
287.07642	2.2
291.19693	6.4
293.21240	16.3
305.08701	2.3
309.20746	9.0
323.09943	3.0
379.12448	11.8
397.08344	3.7
397.13486	66.4
398.13879	8.1
415.14594	17.4
435.28000	1.9
581.24493	2.8
589.25354	3.1
599.25928	4.0
653.37451	6.8
864.69006	2.1
881.49713	13.6
882.48010	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	881.4951
Annotation	Unknow
Peak:m/z	Relative Intensity
61.40150	0.3
61.58114	0.3
62.96260	0.3
65.89608	0.3
67.97343	0.3
70.93345	0.7
70.93699	0.3
78.95779	72.3
82.74537	0.3
92.37227	0.3
96.96838	5.0
110.98404	0.7
119.19166	0.3
121.88898	0.3
150.97935	2.0
152.99496	100.0
153.99812	1.0
167.01018	0.3
171.00548	2.8
181.12433	0.3
185.02121	0.7
207.94827	0.4
279.23306	22.4
280.23654	1.7
376.21878	0.4
433.23602	55.8
434.23911	4.5
447.25168	8.5
448.25458	0.8
504.63760	0.3
650.12543	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4953
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96274	0.4
65.73909	0.2
69.62008	1.1
69.62424	0.5
78.95778	57.6
86.01318	0.2
87.62488	0.2
96.96839	5.9
110.98414	0.6
150.97928	2.1
152.99493	100.0
153.99849	1.3
167.01161	0.3
171.00577	3.3
185.02112	0.8
261.22281	0.2
277.21902	0.2
279.23291	18.7
280.23584	1.5
301.66641	0.3
332.66998	0.2
433.23599	35.9
434.23926	3.0
447.25159	6.4
448.25436	0.8
458.30130	0.2
459.09628	0.2
475.68597	0.2
479.62543	0.2
523.34857	0.3
599.81635	0.2
754.10657	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
67.47447	0.1
69.52732	0.9
79.95607	3.8
85.02820	0.3
93.03336	0.3
94.02867	0.5
96.04479	0.2
96.95888	100.0
97.92970	0.1
97.95823	0.1
120.08068	1.1
122.05954	0.5
132.04466	0.2
138.05499	0.4
150.05563	0.2
152.07071	1.3
158.02376	0.2
164.07088	0.2
168.93855	0.1
190.05026	1.3
209.11823	0.1
210.09084	0.2
226.12315	1.0
261.12396	0.2
323.10306	0.2
325.12061	0.1
339.28641	0.1
355.12982	4.1
356.13385	0.4
367.16367	0.2
409.17715	0.1
537.10583	0.1
614.25000	0.4
639.84094	0.1
645.25903	0.2
664.19769	0.2
677.28345	0.4
783.32367	1.8
784.32593	0.3
833.07178	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	879.5121
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	1.1
66.96790	1.1
67.28204	0.9
69.03322	1.9
71.01254	14.6
71.56912	1.9
72.99187	1.9
73.02831	2.9
75.00776	0.9
78.95779	4.6
79.95609	1.2
80.96383	4.8
81.03329	1.5
83.01224	2.3
85.02828	3.3
87.00763	2.9
89.02326	8.8
95.04896	1.6
97.02818	3.2
97.06470	2.2
99.00769	3.2
100.75031	0.9
101.02323	11.0
107.06875	1.0
109.06448	1.2
111.08061	2.3
113.02301	4.5
119.03406	3.3
119.08541	1.1
123.04427	1.4
125.02346	2.7
125.09623	4.2
137.05881	1.0
137.09668	1.7
142.02635	1.4
152.98451	0.9
161.04538	2.4
163.11189	4.7
170.05847	0.9
171.10173	12.4
179.05525	1.4
181.12277	2.9
185.11769	3.9
191.14351	4.2
193.58078	1.1
195.13847	8.2
196.14220	1.1
197.11777	3.6
201.11258	5.1
207.10208	7.4
209.11748	6.0
211.13486	1.5
221.06570	1.2
223.13301	5.5
225.00745	1.7
225.11272	16.7
226.11647	1.0
227.12836	1.2
228.13560	0.9
235.08130	4.8
241.01129	1.6
243.12376	3.2
245.19044	8.8
253.09235	21.1
254.09619	1.1
255.23265	21.6
256.23700	1.8
263.20169	1.5
271.16953	1.1
275.20197	5.1
289.18100	50.4
290.18274	4.4
291.19623	13.0
293.21216	100.0
294.21475	6.5
307.19159	40.6
308.19495	4.2
309.20712	7.2
379.12415	2.2
397.13428	11.2
398.13580	1.3
415.14664	3.0
479.05884	1.0
525.26373	1.4
527.28516	1.2
623.25177	2.0
663.11273	1.1
817.16901	1.1
861.48212	8.1
862.49603	1.6
879.48407	9.1
880.47272	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	879.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98694	0.8
62.59849	0.6
67.59111	0.8
68.02387	1.2
69.03330	1.9
71.01250	21.0
71.04894	4.4
71.57867	1.0
72.99163	2.1
73.02810	3.2
80.96394	1.2
81.03336	0.9
83.01260	1.7
85.02812	5.0
87.00741	4.0
89.01810	1.3
89.02312	12.9
95.01285	1.3
95.04884	1.1
97.02824	5.4
97.06455	3.0
99.00750	16.7
101.02312	13.9
109.06464	1.9
110.03640	1.0
111.04411	0.8
113.02325	5.1
119.03373	3.2
119.38705	0.7
123.08057	2.5
125.02357	5.5
125.09621	8.3
136.05215	0.9
142.02605	1.6
143.03374	1.1
145.24721	0.7
151.11176	0.9
161.04396	1.8
161.09618	0.8
163.11185	12.5
171.10211	11.1
179.05530	1.5
181.12256	15.4
197.11729	2.3
199.13329	7.3
201.11270	4.0
207.10202	28.9
207.12186	1.5
208.10446	1.0
209.11685	0.9
221.06628	1.7
225.11287	36.3
226.11598	1.7
235.08165	3.5
243.09836	1.0
243.12344	13.9
244.12706	1.3
253.09352	1.5
255.23268	50.6
256.23642	3.5
263.07675	0.7
277.21722	1.0
289.18185	1.2
291.19553	1.5
325.18472	1.1
339.19836	1.0
379.12399	2.7
397.13495	15.0
398.13727	0.9
415.14691	3.3
605.24390	0.7
623.25653	1.2
653.37781	1.0
699.43890	0.8
787.22272	0.7
861.48029	2.9
879.49536	100.0
880.49841	18.2
880.66760	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.495
Annotation	Unknow
Peak:m/z	Relative Intensity
68.02401	1.0
68.28363	0.6
69.03326	2.0
70.93093	0.8
70.93405	0.9
71.01250	19.6
71.04883	3.6
72.99179	1.6
73.02815	2.8
75.00735	0.6
78.95764	1.1
79.95642	0.7
80.02527	0.6
80.96382	1.9
81.03342	0.6
83.01254	2.4
83.04887	0.5
85.02804	4.4
87.00751	3.4
89.01810	1.0
89.02315	11.9
89.22070	0.5
93.03282	0.7
94.97942	0.8
95.01241	1.1
95.04919	0.7
96.95863	2.6
97.02832	5.3
97.06446	3.1
98.19846	0.6
99.00749	14.4
101.02318	13.2
107.46829	0.5
109.06464	1.7
110.03586	0.7
113.02336	6.2
119.03366	2.4
119.08433	0.5
123.08050	1.4
125.02324	4.3
125.09612	6.9
127.11173	0.6
135.08047	1.1
136.05196	0.6
142.02617	1.2
143.03387	1.4
153.12675	0.7
161.04399	1.7
161.09558	0.5
163.11205	9.0
171.10155	5.0
179.05495	1.6
181.12256	11.8
197.11778	2.1
199.13327	10.3
201.11234	2.3
207.10194	26.1
208.10516	1.1
221.06587	1.8
225.11269	39.6
226.11574	1.5
235.08173	2.6
243.12343	9.4
244.12776	0.7
253.09261	1.4
255.23256	59.5
256.23611	3.3
289.18112	1.7
291.19675	5.4
293.17841	2.6
293.20975	0.9
307.19113	1.3
309.20667	2.0
379.12555	1.0
379.21808	0.6
397.13501	8.7
415.14456	2.0
429.94287	0.5
438.14578	0.6
540.05817	0.6
605.24475	2.8
623.25177	1.6
653.37305	0.9
681.59381	0.6
712.79108	0.7
739.20532	0.5
855.82025	0.7
861.48505	10.4
862.49353	2.8
879.49487	100.0
880.49847	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	879.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58270	0.5
72.28659	0.4
78.95782	53.8
96.96852	5.9
110.98372	1.2
120.26675	0.5
129.28246	0.4
150.97920	1.9
152.99498	100.0
153.99860	0.8
167.01108	1.3
171.00557	4.3
175.50427	0.4
189.20432	0.4
255.23257	1.2
277.21701	9.0
277.24515	0.8
278.21933	0.5
279.23251	0.8
307.96460	0.5
433.23602	32.2
434.23856	2.8
445.23645	9.3
446.24136	0.6
483.27176	0.8
634.43604	0.5
799.23853	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96286	0.2
75.46188	0.2
78.95779	54.5
96.96844	6.2
110.98429	1.3
150.97939	2.2
152.99495	100.0
153.99814	1.2
167.01074	0.9
171.00563	3.8
185.02161	0.5
277.21725	12.5
278.22076	0.9
279.23331	0.8
351.72092	0.2
433.23599	34.5
434.23923	3.3
445.23581	8.3
446.23825	0.8
700.81018	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
62.35032	3.0
67.68790	2.7
69.03320	2.9
71.01254	71.9
71.57702	3.4
73.02813	26.0
75.00723	7.2
75.79263	2.8
83.01273	16.7
85.02823	45.1
86.95831	3.4
87.00748	4.1
89.02304	5.1
95.01279	5.5
96.95907	4.6
99.00772	14.4
101.02328	61.7
109.02824	5.0
113.02332	30.4
119.92937	3.4
121.02866	6.0
122.03625	6.5
143.03410	5.1
147.04515	4.1
153.93077	2.8
159.02864	8.7
161.04477	35.8
162.89632	3.2
165.05486	14.4
177.49040	3.2
179.07021	8.2
191.01892	3.8
204.79344	2.9
269.10324	92.2
311.11340	60.4
312.11508	3.5
346.14453	6.1
361.16605	100.0
361.21445	6.0
362.16840	11.8
525.10712	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	877.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	4.9
69.40955	1.4
69.41360	4.4
70.93282	0.5
71.00892	0.9
71.01254	14.0
71.04891	1.0
72.99175	2.0
73.02806	2.3
77.08727	0.5
77.20290	0.5
78.95813	0.5
80.96399	1.2
83.01247	1.6
83.04889	0.6
85.02812	4.2
86.37426	0.5
87.00740	2.1
89.02313	10.7
95.01231	1.3
97.02822	1.8
97.06429	1.4
99.00756	0.9
101.02323	8.8
111.04391	0.9
113.02334	4.2
119.03359	2.5
121.79292	0.5
123.08017	0.7
125.02295	2.8
125.09597	2.1
126.99336	0.8
136.68781	0.7
137.48984	0.6
143.03372	1.2
149.09610	0.7
151.11148	2.2
161.04378	1.1
161.09601	2.6
171.10191	0.7
179.05484	0.8
179.10661	4.9
184.90538	0.5
189.96240	0.5
197.11755	34.7
198.12090	1.8
204.22641	0.6
209.11624	0.7
217.22664	0.6
221.06651	1.1
223.09673	2.5
235.08148	1.6
241.10785	2.7
255.23254	48.5
256.23602	3.3
269.24603	0.6
291.19604	1.4
397.13437	3.9
415.14343	1.1
859.47668	0.9
877.47943	100.0
878.48279	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96296	0.3
70.33250	1.1
78.95778	72.5
96.96841	6.0
96.97482	0.3
110.98424	0.8
130.89056	0.2
136.01945	0.2
150.97932	1.5
151.57080	0.3
152.99492	100.0
153.99847	1.1
164.77223	0.3
165.66345	0.3
167.01219	0.3
171.00562	2.8
185.02122	0.9
272.18808	0.3
277.21716	17.4
278.22055	1.1
383.27869	0.3
431.22015	50.9
432.22369	4.2
445.23581	7.5
446.24051	0.7
563.62146	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4636
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96252	0.3
69.26857	2.6
78.95778	79.4
92.92043	0.3
96.96844	7.2
110.98409	0.8
150.97899	2.2
152.99493	100.0
153.99791	1.3
167.01068	0.4
171.00565	2.9
180.55869	0.3
185.02129	0.7
195.71857	0.3
274.43604	0.3
277.21732	17.1
278.22028	1.2
375.01324	0.3
431.22009	44.8
432.22406	4.3
445.23578	6.8
446.23993	0.8
460.33646	0.3
551.10571	0.3
722.40350	0.3
772.05920	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.5245
Annotation	Unknow
Peak:m/z	Relative Intensity
61.91794	0.3
69.03336	0.8
69.32660	1.6
69.33066	0.6
70.57165	0.2
71.01253	0.5
73.02814	0.3
78.95779	3.1
83.04890	0.6
84.02024	0.3
85.02831	3.4
88.44321	0.3
95.04898	0.8
96.95869	0.2
97.02847	0.4
97.06477	3.1
98.20645	0.3
111.08067	0.3
119.08606	0.3
125.09614	1.2
127.11177	1.2
137.09608	0.7
152.99504	0.9
155.10657	0.3
155.14359	0.3
162.74269	0.2
163.11229	0.3
165.12723	1.1
167.14326	0.7
168.04224	0.4
171.10193	7.6
172.10469	0.3
177.12746	0.7
181.12215	0.6
183.13867	2.7
185.11713	1.3
193.12247	0.9
195.13806	0.6
197.11804	0.3
199.13290	0.3
203.10622	0.5
209.11781	1.6
211.13341	17.7
212.13651	0.9
221.11804	2.8
223.16983	1.0
224.06860	0.9
227.12856	0.3
229.14421	12.2
230.14722	0.7
233.15430	0.9
239.12889	2.1
247.20648	0.6
251.16505	2.0
257.13818	0.3
265.17996	0.6
273.98468	0.3
291.19690	3.7
292.20010	0.4
309.20685	3.1
327.21759	100.0
328.22098	5.6
424.01266	0.3
490.26096	1.3
534.28375	10.1
535.28705	0.8
728.63007	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.5374
Annotation	Unknow
Peak:m/z	Relative Intensity
61.39274	0.3
71.01255	0.8
71.04848	0.4
71.49876	0.3
71.96545	0.3
77.71097	0.3
78.95785	1.3
83.04898	0.5
85.02830	0.5
96.95888	0.4
97.06434	0.5
99.08035	2.9
101.02296	0.6
121.02853	0.5
125.09594	1.6
127.11167	1.1
129.09134	0.9
146.70335	0.3
151.98068	0.4
155.10651	0.5
155.14363	0.5
161.04518	0.4
167.10617	0.5
167.14397	0.7
171.10159	2.2
183.13852	4.2
193.12271	1.6
197.11803	0.4
199.13300	0.5
207.17598	0.4
209.11783	1.0
211.13342	26.8
212.13673	1.3
215.82059	0.4
223.17065	0.8
229.14432	17.1
230.14873	0.4
233.15369	0.7
251.16553	4.6
253.09299	3.3
291.19684	1.2
293.21149	0.8
309.20728	5.8
311.22223	1.1
325.20071	0.8
327.21762	0.4
329.23328	100.0
330.23679	6.1
487.25339	0.5
495.10397	0.4
545.30029	0.7
546.28534	0.7
613.38123	0.4
705.82648	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
70.33805	4.0
70.34164	7.1
71.01228	5.0
80.96392	2.3
85.02821	3.3
89.02306	2.9
96.95898	5.2
101.02327	4.3
116.92754	2.7
163.65619	1.9
171.10207	6.9
195.13850	3.8
211.13330	5.3
221.11823	2.5
223.13393	3.0
229.14394	4.5
235.08185	9.4
253.09238	42.0
275.20123	3.6
291.19635	3.6
293.21204	100.0
294.21625	7.1
309.20728	6.6
327.21753	72.8
328.22104	4.8
346.96542	2.2
397.51611	2.5
529.30255	9.1
545.29718	7.3
563.30334	17.2
564.31512	3.6
603.42719	4.9
839.51752	6.3
875.49152	44.5
876.49945	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	875.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01259	0.3
71.47391	0.3
75.40858	0.2
75.53097	0.2
79.95633	0.3
80.96384	0.3
105.01796	0.2
110.21710	0.2
112.49693	0.2
116.92748	0.5
183.01135	1.3
197.02695	11.2
198.03412	1.2
211.04286	0.5
216.00981	0.4
230.02507	1.4
309.20822	0.3
311.16727	0.4
325.18414	100.0
326.18738	8.0
415.42526	0.2
565.89069	0.3
713.10010	0.3
876.47992	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.5218
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98686	0.2
69.03321	1.7
71.01250	3.4
71.01618	0.4
71.18203	0.3
71.18506	0.2
72.99188	0.5
73.02800	0.7
75.00751	0.4
78.95772	0.2
80.96397	0.3
83.01265	0.5
83.04900	0.4
83.17150	0.2
84.02045	0.5
85.02823	7.8
87.00760	0.6
87.27679	0.2
89.02319	2.2
95.01260	0.4
95.04890	0.3
96.95890	2.5
97.02822	1.4
97.06458	1.8
101.02327	2.8
113.02340	1.5
119.03379	0.7
119.08527	0.5
124.77362	0.2
125.09602	0.8
127.11163	1.6
127.88584	0.2
131.03474	0.3
137.09608	2.0
153.09151	0.4
155.10704	0.8
155.14325	0.3
161.04485	1.3
165.09152	0.2
165.12746	0.6
167.14339	0.5
171.10181	28.0
172.10521	1.0
177.12770	0.6
179.05516	0.5
181.12296	0.2
183.13866	1.9
185.11772	0.7
193.12296	0.7
197.11760	0.7
199.13419	0.3
201.11311	1.7
203.10725	0.5
207.10216	0.2
209.11769	1.4
211.13330	11.0
212.13618	0.4
213.11302	0.4
221.11774	2.1
223.13412	0.2
224.33794	0.3
225.11203	0.3
227.12839	0.2
229.14397	7.5
230.14687	0.4
234.50693	0.2
235.08176	1.3
239.12920	1.3
247.20601	0.2
253.09262	18.0
254.09715	0.6
291.19641	2.9
292.19965	0.3
309.20660	2.0
322.14874	0.2
325.20123	0.3
327.21747	100.0
328.22067	6.0
545.29602	0.2
563.30701	8.2
564.31006	0.8
619.41974	0.3
637.43146	2.9
638.43347	0.5
873.50732	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.479
Annotation	Unknow
Peak:m/z	Relative Intensity
62.35183	12.6
64.08039	11.8
71.01247	17.4
71.57707	14.7
71.58069	14.5
78.95784	31.1
80.96403	20.1
80.97115	11.9
87.00743	14.4
88.98688	13.5
89.02315	20.5
101.02289	19.7
116.92786	16.9
121.90791	13.2
133.01428	15.7
133.04987	14.9
137.82762	11.3
147.33519	13.1
150.04120	27.3
165.16173	11.9
171.10242	26.0
197.11801	34.3
209.11804	31.8
211.13345	42.0
215.12952	24.7
240.70697	11.9
253.09317	56.3
256.38858	12.7
277.21677	41.6
277.82477	17.3
289.18030	18.2
291.19620	73.8
293.21262	51.6
309.20618	100.0
311.16977	31.2
323.64639	12.2
325.18140	63.9
397.13525	29.5
534.07520	15.0
627.67639	13.9
819.49493	15.9
858.35529	14.5
873.46741	66.3
874.45111	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	873.4766
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28658	85.8
71.01244	15.2
71.21407	8.0
78.95794	25.2
80.96363	11.0
116.92765	20.1
152.99483	14.0
171.10139	16.1
183.01196	12.9
197.02730	25.7
197.11763	30.8
209.11780	21.8
225.00789	10.5
231.47900	8.9
253.09290	20.6
277.21689	17.7
291.19711	25.5
309.20715	100.0
311.16901	16.1
323.17166	16.6
325.18192	46.9
638.30884	9.5
873.48444	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01241	2.2
71.35522	1.9
75.00761	1.0
80.96405	1.5
85.02829	3.1
93.03333	18.0
94.02859	10.4
96.95881	4.7
98.20383	1.1
101.02332	1.2
102.05507	1.1
108.08074	4.3
120.08084	5.2
121.05231	2.8
122.05993	2.1
132.04431	1.0
134.05983	4.3
136.05357	4.9
136.07578	100.0
137.07906	3.6
138.05505	3.6
152.07104	1.2
153.04224	3.7
171.10181	2.4
174.05479	1.2
191.01933	1.0
209.11769	2.0
211.13344	4.9
215.11752	1.3
223.08682	2.1
224.13759	1.0
229.14308	4.1
235.12300	1.3
237.10373	2.0
249.06468	1.1
249.10281	1.9
250.10759	1.0
251.11894	7.0
253.09181	1.2
263.08279	3.9
263.11719	1.3
264.06451	2.2
264.08948	5.9
265.09546	2.3
276.09109	1.7
277.09763	4.1
278.10464	4.7
279.11343	18.6
280.11758	1.3
291.11328	7.9
291.19550	1.3
295.11075	1.1
297.12479	2.3
305.09277	1.2
309.12576	2.0
311.14172	1.5
322.13068	1.3
323.10349	3.9
327.21765	23.9
328.22064	3.5
331.14395	2.2
341.16507	1.5
343.14554	1.8
345.16010	3.3
356.11499	2.6
357.12253	2.8
371.13931	4.4
385.15353	1.6
386.18631	1.9
400.20428	1.4
415.13171	2.6
426.18118	2.2
427.18741	1.9
428.19745	6.2
444.19043	1.9
445.18057	1.4
454.17639	3.0
472.18845	16.8
473.19299	3.7
492.18823	2.7
494.24622	1.5
504.21304	6.7
521.22931	1.3
524.21649	2.8
537.25092	1.0
538.23218	2.6
565.23425	1.2
566.22968	2.4
578.22717	1.4
584.24866	1.4
584.34052	1.2
597.24756	20.1
598.25665	5.7
610.25574	2.4
625.39398	1.9
631.27216	1.2
672.27258	11.1
673.27570	1.7
675.27905	2.9
704.29724	70.1
705.30121	13.3
707.30511	4.9
717.29370	5.1
735.30377	14.2
736.31268	2.3
749.31976	6.3
767.32916	14.3
768.32928	3.3
805.29437	2.2
806.30396	1.5
829.45270	1.4
873.38397	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	873.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
64.02453	0.6
67.07588	0.6
69.38134	0.7
71.01254	1.0
71.58000	0.9
78.95773	0.8
80.04908	1.2
80.96378	1.1
82.02854	1.4
85.02836	1.9
89.02345	0.9
93.03329	20.8
94.02866	11.5
96.95898	2.5
97.06500	0.7
97.28671	0.7
102.05515	0.7
106.06531	1.0
108.04475	1.0
108.08076	5.0
120.08087	6.1
121.05233	3.0
122.06019	1.1
124.42841	0.8
132.04465	0.8
134.06039	3.5
135.03183	1.0
136.07581	100.0
137.07944	4.1
138.05528	3.9
150.01865	0.7
152.03441	0.9
153.04230	3.3
164.07182	0.8
171.10184	1.5
208.19299	0.7
209.11771	1.8
211.13464	3.7
223.08643	1.0
223.12466	0.9
229.14325	2.3
235.12405	1.4
236.09499	1.0
237.10318	2.9
239.12016	1.1
249.10341	2.4
250.07471	1.0
250.11147	1.1
251.08167	1.4
251.11801	4.1
262.07538	1.2
263.08292	3.9
263.11990	0.8
264.06628	1.5
264.08975	6.1
265.09796	1.9
276.09106	2.0
277.09866	4.1
278.10583	5.3
279.11353	18.0
280.11694	1.7
281.13025	0.9
291.11383	8.4
292.11917	1.4
305.09381	1.5
307.10742	0.9
309.12579	1.3
311.13925	1.7
313.13510	0.9
317.08966	0.9
322.09644	0.9
322.13474	1.0
323.10358	3.0
327.11258	0.9
327.21768	22.5
328.22171	2.6
329.16492	1.2
329.22186	0.9
330.13428	1.1
331.14459	1.8
335.10562	1.0
339.13651	1.6
341.16632	1.5
343.11072	1.5
343.14606	1.8
345.15930	4.2
356.11697	1.9
357.12369	3.5
360.21027	1.8
371.13968	5.7
372.14258	1.1
373.15393	1.0
384.14597	0.9
385.15872	1.4
386.19037	0.8
400.20483	1.4
401.21103	1.0
413.15247	1.0
415.12808	3.4
426.18109	1.3
428.19724	6.4
437.18814	1.8
444.19504	2.2
445.17648	1.8
454.17645	2.8
460.22662	0.9
472.18774	14.9
473.19321	2.5
492.19809	3.2
494.24783	2.7
504.21286	7.9
505.21664	1.4
506.20996	1.3
521.23383	2.0
524.22150	2.1
538.23645	3.0
565.22430	1.3
566.23181	2.6
597.24805	23.8
598.25061	7.5
610.25964	2.5
611.25177	1.0
625.38586	1.1
631.26953	1.0
661.29449	1.2
672.27252	10.1
673.27814	2.3
675.28229	3.8
704.29749	61.3
705.30054	14.5
707.30695	5.5
708.31281	1.0
717.29333	6.3
735.30188	11.2
736.30219	3.5
749.31891	3.5
750.32312	1.6
764.61877	0.7
767.33081	14.8
768.33508	3.0
805.29639	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	871.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98698	0.6
62.83941	0.3
65.03832	0.9
67.01746	0.5
69.03307	1.9
69.79569	1.1
69.79981	1.0
70.49812	0.3
71.01241	2.1
71.04890	2.2
73.02824	0.6
79.05392	1.2
79.95609	0.4
80.02560	0.5
80.96396	0.9
81.03341	2.0
83.01260	0.7
83.04897	3.6
83.35707	0.4
84.02048	0.9
85.02827	1.8
85.06457	1.4
87.00768	0.7
87.04386	0.5
89.02306	1.7
93.03344	1.3
93.06957	0.3
95.04902	3.6
96.95893	8.8
97.02840	2.4
97.06462	5.6
98.95482	0.3
99.04426	0.3
101.02316	2.3
105.51014	0.3
106.04107	1.2
107.04889	0.3
109.02840	0.6
109.06459	1.5
111.04389	1.2
111.08038	2.5
113.02336	0.8
113.05971	0.7
113.48298	0.3
115.07526	1.4
115.29881	0.3
119.03368	0.4
119.08524	0.7
120.05685	0.3
120.08051	0.5
121.02837	0.5
121.06498	1.7
122.06023	3.1
123.04398	1.2
123.08046	2.2
124.05214	0.5
125.06006	0.5
125.09621	3.0
126.99458	0.4
127.07518	0.3
127.11161	1.0
135.08020	1.8
136.05186	0.6
137.09578	1.1
150.25954	0.3
151.11215	0.9
152.07072	4.5
153.07492	0.3
153.09108	1.1
155.10655	0.6
161.04430	1.6
163.11183	2.2
165.09111	0.4
165.12738	1.0
165.72049	0.3
169.12271	1.2
171.10181	13.4
172.10495	0.7
175.11159	0.4
177.12846	0.8
179.05591	0.4
181.12265	1.2
183.13852	0.6
185.11737	2.0
189.12865	0.4
191.10764	0.6
191.14357	1.3
193.12263	2.8
195.13861	0.7
197.11769	13.6
198.12117	0.8
199.13388	1.8
201.11313	0.7
205.15906	1.5
207.10202	1.6
209.11778	6.4
210.12064	0.3
211.13338	7.4
212.13701	0.6
217.15820	0.4
221.11778	0.7
223.13383	0.7
225.11220	1.4
225.14977	0.5
227.12843	1.0
231.13788	0.8
233.11427	0.7
235.08232	0.4
235.13301	0.9
237.14961	1.2
239.11755	0.3
245.19081	2.1
249.14948	6.2
250.15230	0.4
253.09250	13.2
254.09818	0.4
263.16660	0.3
263.20050	0.7
264.09018	0.4
265.09888	0.4
265.18137	0.6
267.15952	1.8
271.17169	0.6
278.10580	0.5
279.07941	0.7
279.11295	1.6
289.18115	5.7
291.11334	0.5
291.19656	5.7
292.20071	0.4
293.09091	0.4
294.10153	0.4
295.10910	0.6
307.19098	3.4
309.20709	24.9
310.17838	0.3
310.21057	1.8
323.10297	0.5
325.20178	100.0
326.20535	8.3
327.21762	1.1
331.14362	0.4
334.13312	0.4
378.10199	0.3
433.20624	0.5
444.19516	0.4
488.18018	0.5
489.19083	0.4
520.20685	0.7
525.92346	0.4
526.01074	0.3
527.28540	0.4
545.29742	1.6
582.22797	0.7
595.28668	0.4
613.24207	1.2
614.25006	1.3
643.27911	0.7
733.29211	1.5
736.28381	2.7
737.29242	0.6
765.31232	1.9
766.31415	0.8
861.15070	0.4
871.41455	0.9
872.42926	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98689	0.5
64.82278	0.5
69.03311	2.0
71.01253	3.4
71.04884	2.9
71.57518	0.5
71.57949	1.0
72.27729	0.6
73.02833	1.3
78.95762	0.8
79.95587	0.9
80.02528	0.9
80.81256	0.6
80.96390	2.0
81.03345	0.7
83.04900	2.0
84.02023	0.7
85.02822	1.8
87.00762	0.7
87.04388	0.9
89.02323	1.6
91.05422	1.3
93.03307	1.2
95.04887	1.4
96.95894	12.4
97.02837	3.0
97.06451	3.1
98.95448	0.8
99.00777	0.6
101.02347	1.6
102.05451	0.8
107.04932	1.5
109.06472	11.0
111.08029	2.2
113.02332	1.0
115.58148	0.5
119.08535	0.6
121.02863	1.0
122.06026	1.3
123.08046	1.2
125.05928	0.9
125.09628	1.5
127.07507	0.7
127.11201	0.7
136.05188	0.7
137.09653	0.8
141.09116	0.6
151.11124	1.5
153.09128	0.9
153.12746	1.1
163.11211	0.9
165.12747	1.1
169.12202	3.6
171.10153	5.9
179.10652	0.7
181.12231	2.0
183.13870	1.4
185.11716	0.8
193.12228	1.5
197.11761	25.9
198.12073	1.3
199.13309	2.4
201.11246	3.8
207.10226	0.7
207.13721	0.6
209.11830	3.5
211.13330	17.7
212.13646	1.1
213.11218	1.4
225.11140	1.0
227.12823	1.9
229.14441	0.8
233.11549	5.9
235.08182	0.7
235.13356	2.0
237.15012	3.9
245.61137	0.6
249.14941	1.6
251.16345	0.8
253.09270	8.3
273.18506	0.6
289.18115	6.3
291.19604	2.9
307.19150	5.2
308.19089	0.8
309.20724	13.2
310.21133	1.3
324.21777	0.7
325.20169	100.0
326.20541	8.5
327.21698	4.6
397.13864	0.8
545.30011	0.9
591.40955	0.6
665.39099	0.9
765.30554	0.7
871.41663	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03305	1.6
70.80599	4.2
71.01249	21.5
72.99158	2.8
73.02802	2.7
76.02274	1.4
78.95763	2.6
80.96377	6.5
83.01257	3.2
83.55695	1.5
85.02835	7.4
87.00738	3.7
89.02312	14.9
96.88313	1.7
97.02843	3.4
97.06443	5.8
101.02322	14.8
102.66979	1.6
105.01792	1.7
113.02306	6.6
119.03378	2.8
125.02291	4.3
151.11198	14.2
169.12250	56.3
170.12547	2.7
171.10219	1.6
191.24330	1.9
213.11237	9.2
215.12888	1.9
225.00761	1.6
235.08260	1.9
255.23239	1.5
277.21695	49.4
278.22116	5.0
293.21326	1.7
397.13464	8.1
475.95996	1.6
871.46814	100.0
872.47485	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	871.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
68.16566	10.3
70.44109	40.1
71.01265	26.3
76.92045	11.0
78.95789	27.0
80.96391	45.1
89.02306	13.4
90.04884	10.7
93.90475	11.6
94.97957	13.5
101.02327	22.8
109.33633	11.2
110.78895	10.2
125.02328	11.2
125.54796	14.7
133.04977	12.1
137.61902	10.4
169.12260	26.9
171.10220	11.1
183.11607	11.5
213.11237	17.4
254.37595	11.3
277.21683	49.5
289.18228	18.8
291.19366	10.8
307.19257	22.2
309.20679	22.5
337.92905	11.9
512.86438	13.4
521.79047	12.2
546.17169	11.1
649.09863	12.5
871.45990	100.0
872.47144	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
62.56043	2.6
69.03307	2.7
71.01266	17.0
73.02814	4.4
78.95750	5.3
80.96362	9.4
87.00713	5.6
89.02333	15.8
101.02287	10.1
104.97827	3.3
113.02309	6.9
116.92794	3.1
119.03418	3.1
123.27628	2.5
125.02235	3.1
129.96519	2.7
151.11177	8.1
169.10999	4.1
169.12273	57.6
170.12581	4.5
181.12360	2.9
183.01138	4.1
185.11705	4.3
209.11729	3.7
213.11270	7.2
277.21713	24.5
289.18036	8.6
291.19485	3.3
293.21292	4.8
307.19174	6.4
309.20691	6.3
325.18481	19.1
397.13528	5.3
533.53796	3.2
871.46631	100.0
872.47559	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.373
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	1.8
71.01252	19.2
71.57661	1.9
72.99194	2.2
78.95795	2.3
79.95609	2.1
80.96406	1.7
81.99882	1.4
82.95280	5.8
83.02438	1.4
83.04874	1.7
85.02837	5.8
87.00761	3.8
89.02316	6.7
96.95894	100.0
98.95474	6.8
101.02328	6.6
109.06511	2.0
111.08032	1.6
113.02309	5.0
116.92741	3.7
119.03352	2.0
125.02394	2.1
130.08659	1.8
137.09616	1.7
144.54701	1.6
145.51170	2.2
161.04451	1.9
163.07558	1.8
163.11211	1.9
171.10150	12.8
176.74063	1.6
183.13815	5.5
185.11705	2.0
197.11743	6.9
199.09663	9.4
199.13289	2.3
201.11249	4.4
207.10147	5.4
209.11732	10.5
211.13374	17.3
212.45224	1.6
225.11194	5.5
227.12834	4.7
229.14409	2.3
235.08292	2.7
253.09224	7.8
291.19629	5.8
293.21149	5.9
299.01929	1.9
307.19113	2.8
309.20645	12.2
310.20892	2.5
325.20212	10.3
327.21671	12.4
343.21399	4.7
356.26254	1.5
397.13483	9.2
415.14551	3.1
597.24060	2.4
598.64221	1.8
773.36316	2.8
817.38232	2.6
835.39600	3.3
875.83228	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	870.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
60.85666	0.1
62.96286	0.2
65.97472	0.1
69.29563	1.4
69.29985	0.4
69.96684	0.2
78.95777	62.6
80.38774	0.2
92.31242	0.2
96.96845	6.4
98.20570	0.3
140.01102	1.1
150.97913	2.0
152.99492	100.0
153.99864	1.1
170.75262	0.2
171.00555	4.1
173.30103	0.2
196.03732	2.6
201.07578	0.2
214.04843	0.3
241.21692	25.7
242.22073	1.3
277.21744	0.6
431.22018	31.9
432.22415	1.9
438.26248	17.9
439.26801	1.1
526.29364	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4922
Annotation	Unknow
Peak:m/z	Relative Intensity
62.15782	0.6
69.03311	1.5
71.01247	15.7
72.99173	1.8
73.02805	2.2
74.46578	0.6
78.95777	1.4
78.98470	1.1
79.95612	5.8
80.66324	0.5
80.96386	10.0
82.60408	0.5
83.01251	2.4
85.02832	5.6
87.00735	4.4
89.02313	14.7
94.97959	2.6
95.01290	1.1
96.95880	1.9
97.02834	2.6
98.19746	1.1
99.00752	1.1
101.02316	13.8
109.02802	0.7
113.02323	7.2
115.03860	0.7
119.03387	3.2
125.02326	5.9
131.03355	1.1
133.04903	0.6
139.03828	0.7
143.03386	2.2
148.99042	0.7
152.98508	0.7
161.04471	4.1
164.98511	1.4
167.14302	0.8
179.05550	4.0
183.13795	6.8
193.12262	1.4
206.99725	0.7
211.13329	100.0
212.13664	5.5
217.06989	0.8
221.06567	1.5
225.00700	3.0
235.08203	6.0
253.09265	2.8
259.08209	0.9
277.21704	49.3
278.21991	4.2
287.07767	2.1
305.08722	1.8
309.20734	0.7
323.09927	1.0
327.21805	1.9
344.88416	0.6
375.78909	0.7
375.84134	0.6
379.12424	7.3
380.13220	0.7
397.13470	35.8
398.13547	1.3
415.14554	7.3
591.26630	3.1
592.26965	0.9
609.27234	3.4
615.91980	0.7
869.47168	13.3
870.48083	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	869.4922
Annotation	Unknow
Peak:m/z	Relative Intensity
62.15782	0.6
69.03311	1.5
71.01247	15.7
72.99173	1.8
73.02805	2.2
74.46578	0.6
78.95777	1.4
78.98470	1.1
79.95612	5.8
80.66324	0.5
80.96386	10.0
82.60408	0.5
83.01251	2.4
85.02832	5.6
87.00735	4.4
89.02313	14.7
94.97959	2.6
95.01290	1.1
96.95880	1.9
97.02834	2.6
98.19746	1.1
99.00752	1.1
101.02316	13.8
109.02802	0.7
113.02323	7.2
115.03860	0.7
119.03387	3.2
125.02326	5.9
131.03355	1.1
133.04903	0.6
139.03828	0.7
143.03386	2.2
148.99042	0.7
152.98508	0.7
161.04471	4.1
164.98511	1.4
167.14302	0.8
179.05550	4.0
183.13795	6.8
193.12262	1.4
206.99725	0.7
211.13329	100.0
212.13664	5.5
217.06989	0.8
221.06567	1.5
225.00700	3.0
235.08203	6.0
253.09265	2.8
259.08209	0.9
277.21704	49.3
278.21991	4.2
287.07767	2.1
305.08722	1.8
309.20734	0.7
323.09927	1.0
327.21805	1.9
344.88416	0.6
375.78909	0.7
375.84134	0.6
379.12424	7.3
380.13220	0.7
397.13470	35.8
398.13547	1.3
415.14554	7.3
591.26630	3.1
592.26965	0.9
609.27234	3.4
615.91980	0.7
869.47168	13.3
870.48083	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	869.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	1.2
63.96114	1.8
67.79041	0.4
69.03319	1.1
70.19144	1.5
71.00885	0.9
71.01255	10.8
72.99187	0.5
73.02831	2.3
73.48378	0.4
75.00734	0.9
78.98460	7.8
79.95607	50.0
80.96390	84.9
81.03326	1.0
81.65548	0.5
85.02819	4.1
85.03302	0.7
87.00757	3.6
89.02312	2.4
94.97957	19.0
94.98569	1.1
95.01231	0.7
96.95890	2.0
97.02812	2.5
99.00761	0.7
99.04337	0.7
101.02304	4.4
106.97967	4.5
113.02325	1.5
122.07993	0.5
122.97477	4.2
125.02344	4.0
127.03942	1.1
129.66818	0.5
134.97479	6.2
136.99042	2.4
148.99046	7.0
152.98543	5.5
161.04477	2.5
164.98544	13.5
167.00117	0.6
171.10197	0.8
179.00089	1.1
183.13809	1.1
206.99634	4.8
211.13345	15.2
212.13675	0.7
225.00691	25.3
226.00929	1.1
235.08255	0.6
241.00189	2.1
242.52782	0.5
246.30573	0.4
277.19083	0.5
277.21735	9.8
281.03183	0.6
283.04904	5.0
333.48959	0.5
341.05493	3.0
355.06964	1.8
379.12106	1.2
397.13559	4.9
398.13730	0.5
411.13452	0.5
415.14597	1.3
505.17551	0.5
565.19305	1.0
575.25470	2.8
591.26758	0.6
647.27301	1.7
661.29095	0.9
675.30920	0.9
689.31390	0.7
771.39777	0.9
869.47223	100.0
870.47546	24.9
870.64459	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
64.25195	2.9
71.01257	53.0
72.99174	11.2
73.02815	33.4
75.00746	63.9
78.95792	8.5
83.01254	12.8
83.72980	2.8
85.02828	22.6
87.00805	5.1
89.02309	20.1
93.03339	11.9
96.95897	17.5
101.02317	49.1
111.00756	5.0
113.02321	19.6
119.03368	7.7
133.04961	100.0
137.02350	24.6
143.03404	6.4
145.01228	4.8
149.04456	7.8
150.63980	2.8
161.04443	12.5
161.05655	3.0
179.03563	3.0
191.01875	6.5
209.02911	3.9
209.11812	4.2
221.06709	3.9
229.30057	4.3
271.10104	11.9
281.06622	27.6
292.71371	2.8
405.12234	6.1
463.12500	53.4
488.91977	3.6
521.16650	55.8
522.17395	6.0
609.68579	3.0
870.32953	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	868.5052
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	100.0
62.98408	0.1
68.80965	0.1
69.46769	0.1
70.85920	0.3
71.01257	0.3
79.95617	0.2
80.45906	0.1
80.96396	0.9
94.97977	0.1
125.02440	0.1
138.82033	0.1
152.98543	0.1
161.04474	0.1
164.98470	0.1
171.10339	0.2
195.13846	0.1
201.61479	0.1
211.13293	0.6
225.00755	0.2
228.90154	0.1
234.64946	0.1
242.60274	0.1
253.09325	0.1
255.23253	0.1
277.21686	0.4
293.21295	0.9
294.21530	0.7
295.21863	0.4
397.13260	0.1
616.42188	0.1
686.70325	0.1
868.46918	0.6
869.46802	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	0.8
63.96107	1.9
69.03311	1.4
69.53964	0.7
70.32922	1.2
70.33306	1.4
71.01250	13.8
72.99166	0.9
73.02827	2.5
76.37143	0.6
78.98462	7.3
79.95609	16.3
80.96388	100.0
81.03334	1.9
83.01234	0.9
83.04897	1.5
85.02824	3.8
87.00744	5.2
89.02307	2.6
94.97959	21.1
96.95887	2.1
97.02842	2.4
99.00783	1.0
101.02323	6.2
102.05476	2.9
106.97934	3.6
113.02295	1.6
118.95641	0.6
119.03408	0.9
122.97462	4.2
125.02337	6.1
127.03866	1.3
131.02409	0.6
134.97464	6.0
136.99049	1.9
137.82347	0.6
143.03444	0.7
148.99030	7.7
152.98529	7.6
161.04466	1.3
164.98543	16.1
183.32619	0.7
206.99576	4.0
209.11783	16.4
210.12117	5.2
211.13368	1.1
224.16513	0.7
225.00688	31.7
226.00917	0.8
229.23869	0.8
235.08179	1.1
255.23244	1.7
277.21698	8.9
278.22028	4.7
325.18353	2.6
334.88199	0.8
351.25085	0.9
379.12442	1.5
380.12695	0.8
397.13513	5.4
398.13867	2.0
415.14682	0.9
537.27490	2.0
568.20801	2.0
701.57599	0.8
738.40259	0.8
765.40723	3.9
824.44580	6.3
825.45752	1.0
868.47321	96.4
869.47687	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	868.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
62.12323	0.6
63.96098	2.6
69.03329	1.4
70.45431	2.2
71.01253	12.5
72.99178	1.0
73.02811	2.9
78.95776	1.6
78.98451	8.1
79.95597	17.4
80.96387	100.0
81.03344	1.1
83.04902	0.9
84.24061	0.6
85.02797	4.1
87.00746	4.4
89.02314	2.1
94.97954	24.3
96.95892	1.6
97.02806	2.4
99.00735	1.2
101.02317	4.7
102.05461	1.7
106.97954	4.4
113.02354	0.9
115.57053	0.6
122.91093	0.6
122.97485	5.1
125.02328	4.5
127.03864	1.2
133.05020	1.5
134.97476	8.3
136.99037	1.9
148.99036	8.7
152.98514	8.9
152.99510	1.0
161.04480	0.9
164.98532	17.7
188.98564	0.7
206.99634	3.6
209.11737	7.7
210.12105	2.9
211.13341	4.0
225.00681	36.9
226.01074	1.1
235.08257	0.7
255.23250	2.3
268.15668	0.9
277.21701	6.3
278.22052	2.4
286.16556	1.0
306.07727	1.3
325.18423	0.9
356.18881	0.9
379.12323	1.0
397.13446	2.5
398.13739	0.9
415.14539	1.1
537.27625	1.7
568.20795	3.2
618.19543	0.7
709.38287	1.0
765.41022	9.7
766.41443	1.5
824.44867	11.3
825.45288	2.6
868.47296	81.3
869.47693	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	867.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98717	0.9
66.51367	0.8
68.16419	0.8
69.03323	1.1
71.01252	19.4
71.19687	1.9
71.20048	1.2
72.99197	1.5
73.02837	2.2
78.98497	0.9
79.95619	3.7
80.96388	16.4
81.03331	1.4
81.41124	0.9
81.95196	1.6
82.95965	4.6
83.01279	2.0
85.02815	4.6
87.00769	4.9
89.02309	15.6
89.75507	1.1
93.95473	0.9
94.97957	2.9
95.01244	1.2
97.02837	2.8
101.02319	13.7
105.51259	0.9
113.02310	8.0
119.03383	4.5
122.97456	0.9
125.02333	7.7
127.11147	2.3
141.01778	1.0
143.03391	2.8
149.88939	0.9
161.04462	3.2
164.98515	2.6
170.15500	0.8
171.10173	100.0
172.10504	4.5
176.79530	0.9
179.05559	3.1
217.07144	1.0
221.06505	1.1
225.00734	4.3
226.00940	1.0
227.00426	1.3
235.08127	6.4
245.06755	1.0
255.23253	66.8
256.23645	4.7
259.08142	1.3
287.07709	2.6
297.24292	1.1
305.08621	2.0
352.00974	0.9
359.76062	1.0
371.40625	1.0
379.12411	21.2
380.12833	1.8
391.88168	0.9
397.13455	49.8
398.13837	2.9
415.14609	8.5
551.23346	4.5
569.24603	2.5
635.36462	3.2
653.37775	5.3
696.54834	1.0
866.49292	1.6
867.50104	18.4
868.49420	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	867.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
70.31336	0.2
71.57330	0.4
78.95778	58.7
95.71510	0.2
96.96841	7.8
107.46852	0.2
121.34712	0.2
132.15080	0.2
135.53661	0.2
150.97958	2.0
152.99493	100.0
153.99820	1.5
154.99800	0.2
161.88594	0.2
171.00568	4.0
279.23224	1.0
353.06985	0.2
372.95572	0.3
433.23596	32.5
434.24017	3.4
513.20203	0.6
532.54724	0.2
779.32513	0.3
898.27972	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	0.7
69.03309	0.8
69.71208	0.5
71.01251	9.9
71.58256	0.7
72.99149	0.8
73.02821	1.7
75.00751	1.0
78.11934	0.5
78.95760	1.0
80.02526	1.3
80.96387	1.3
81.03324	1.9
83.01260	1.0
83.04874	5.3
84.02039	1.0
85.02820	4.8
87.00762	2.9
89.02312	7.4
93.03333	0.9
93.49528	0.6
95.01248	0.7
95.04939	0.8
95.85493	0.5
96.53175	0.7
96.95894	3.4
97.02837	1.3
101.02316	7.3
111.04364	0.6
113.02328	3.4
118.62393	0.5
119.03385	2.0
125.02361	3.3
125.09628	0.6
130.80421	0.6
133.04950	0.6
143.03398	1.3
143.04555	0.9
159.10165	0.6
161.04466	2.0
163.11195	3.8
165.12747	1.9
171.10208	3.0
179.05478	1.7
181.12326	0.7
191.01962	0.8
191.10638	1.2
197.11899	0.6
201.11235	0.8
207.10187	0.8
209.11765	100.0
210.12112	5.3
211.13283	1.4
221.06584	0.7
225.11217	1.0
227.12857	15.6
228.13188	1.0
235.08246	2.6
235.73512	0.6
253.09448	0.7
258.82904	0.6
259.08157	0.7
287.07764	0.6
305.08728	0.9
306.07462	0.9
327.21753	2.2
379.12430	3.1
397.13483	23.0
398.13684	1.4
415.14517	4.8
416.14981	1.0
607.25836	1.4
717.16870	0.8
799.38062	0.9
867.39142	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
61.89328	0.6
65.00195	0.6
69.30546	1.1
69.30952	4.6
71.01234	1.2
73.02795	0.5
75.00736	0.6
78.95779	0.6
85.02827	1.0
87.00736	0.7
93.03333	11.0
96.95858	1.0
98.19753	1.1
101.02350	0.5
101.98939	0.4
108.02075	0.7
109.02834	3.3
121.02786	0.7
133.02800	0.6
137.02324	1.3
141.25551	0.5
145.02837	0.8
147.04370	0.7
149.02290	1.4
161.02281	0.8
163.00314	1.1
169.06558	1.1
171.04468	1.5
171.10214	0.8
175.00255	2.0
183.04471	1.3
187.03886	0.9
189.01768	0.7
191.28976	0.5
197.06013	1.2
198.03198	0.6
199.03903	2.0
201.01996	0.7
205.78352	0.6
209.11685	1.5
211.03937	1.5
212.04648	0.8
213.05540	1.9
214.02628	0.7
215.03490	1.5
224.04565	0.9
225.05531	2.9
225.11105	0.6
227.03421	0.8
228.04245	0.7
239.03419	2.9
240.04248	1.2
241.04997	4.6
242.01996	0.8
242.05786	0.8
243.06622	1.0
251.03481	0.7
253.04922	3.0
254.05692	0.7
255.02997	3.1
256.03674	1.8
257.04553	1.2
267.02881	1.7
268.03732	2.0
269.04526	13.1
270.01746	0.5
270.04846	0.9
279.02939	1.3
280.03784	0.7
281.04575	3.4
282.05289	1.7
283.02441	2.0
283.05634	0.6
284.03278	2.0
285.03998	2.5
289.08429	0.8
295.02512	1.3
296.03104	1.2
297.04041	12.5
297.49661	0.6
298.04532	1.4
301.08707	1.2
305.08121	1.1
307.02411	1.3
312.02905	0.9
317.08142	4.5
319.09689	1.1
331.05917	1.1
333.07605	1.9
335.09436	0.6
345.07755	3.7
346.08459	0.9
347.05475	1.1
347.09216	1.3
348.06223	1.3
349.07153	6.9
350.07639	0.7
361.07138	9.2
362.07852	3.0
363.08728	2.0
372.06412	0.8
373.07077	7.5
374.07761	1.7
375.04987	1.9
376.05630	1.4
377.06644	6.5
389.01529	1.0
389.06613	19.8
390.07346	7.5
391.08188	4.6
401.06427	0.9
411.70029	0.6
417.06052	5.4
418.06909	24.2
419.07642	24.0
420.07773	2.8
455.11365	5.5
466.10370	0.6
483.10858	7.7
484.11200	2.6
512.11121	21.5
513.11823	10.3
514.12091	1.1
623.14032	68.6
624.14343	10.2
675.17157	1.0
717.18195	100.0
718.18561	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	865.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98684	0.6
62.77877	0.4
63.96100	2.0
64.10535	0.5
68.31959	0.4
69.03328	1.1
71.00889	0.9
71.01255	12.1
72.99172	0.6
73.02819	2.3
78.98457	9.9
79.95603	24.1
80.96390	100.0
81.03343	1.0
85.02821	4.0
87.00749	3.0
93.97136	0.5
94.97958	22.7
94.98569	1.1
95.01207	0.6
96.95885	1.5
97.02819	3.2
98.19769	1.3
99.00726	0.9
101.02310	2.9
106.97966	3.8
122.97469	4.2
125.02339	4.7
127.03902	0.7
134.97485	6.6
136.86584	0.5
136.99031	1.9
137.08194	0.5
142.73630	0.5
146.14207	0.5
146.97490	0.6
148.99051	8.0
152.98532	8.1
160.15298	0.5
161.04437	0.7
164.98534	14.6
167.00130	0.8
171.10150	1.2
178.99904	0.5
188.98553	0.5
206.99628	3.5
211.13206	0.7
212.91383	0.5
225.00700	28.6
226.00989	0.7
226.03278	0.5
236.05086	0.5
253.09256	1.4
255.23274	2.1
277.21701	8.3
278.22241	0.8
281.03473	0.5
283.04947	1.1
291.19690	2.0
309.20718	6.4
310.21091	0.5
341.05658	0.7
393.00320	0.5
537.27234	1.4
538.27466	0.8
609.25854	2.4
865.49829	97.7
866.50214	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
68.02393	1.1
70.54367	1.0
71.01253	21.2
71.57613	1.0
71.57963	1.1
72.99192	1.6
73.02818	3.9
79.95605	2.7
80.96384	14.2
81.03327	2.1
83.01284	2.8
83.04903	2.2
85.02811	5.9
87.00743	5.4
89.02315	15.5
94.97964	3.1
95.01265	1.6
97.02835	3.1
99.00736	1.0
101.02325	14.7
104.65619	0.9
113.02316	9.5
119.03391	4.0
119.76631	0.9
125.02328	7.5
141.01642	3.9
143.03404	2.8
148.99031	1.1
151.11072	1.2
153.12749	4.4
161.04478	4.8
163.11195	2.3
164.98535	2.3
165.12758	1.0
179.05528	4.0
181.12282	2.7
195.70052	0.9
199.13275	3.2
209.11761	26.2
210.12288	1.1
217.07220	0.9
221.06596	1.6
225.00621	2.9
225.11130	1.0
227.12827	100.0
228.13206	4.2
235.08163	5.8
255.23245	59.8
256.23615	4.5
305.08765	2.1
323.09891	1.8
353.21631	1.8
356.38507	1.1
379.12439	9.4
397.13464	43.5
398.13992	4.0
415.14484	9.5
607.26013	5.0
625.27661	2.4
653.37524	4.0
863.48474	9.9
864.48352	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	863.5018
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01577	0.4
69.03326	1.1
70.32998	1.1
70.62008	0.2
71.01251	18.5
72.01587	0.4
72.99171	1.7
73.02814	2.9
75.00764	0.6
75.49185	0.3
78.98476	0.3
79.95603	0.7
80.02552	1.7
80.96384	5.1
81.03318	2.2
83.01252	1.8
83.04894	4.6
84.02036	0.6
85.02821	4.3
87.00737	4.4
87.04382	0.3
89.02314	14.9
94.97949	0.9
95.01245	1.4
95.04893	0.7
97.02824	3.3
99.00768	0.8
101.02319	13.1
101.97746	0.2
109.02833	0.3
109.06479	0.5
111.00723	0.4
111.04394	0.5
113.02326	7.0
114.02631	0.3
119.03383	3.8
121.02818	0.4
123.04458	0.3
124.01546	0.3
125.02338	6.7
125.05978	0.6
131.03377	0.9
133.04901	0.3
135.08020	0.8
139.03897	0.5
143.03400	2.7
152.98528	0.4
161.04463	3.0
163.11194	3.5
164.98534	0.8
165.12741	2.2
171.02940	0.3
179.03389	0.4
179.05508	2.8
181.12274	0.8
185.04506	0.3
191.10692	0.8
199.06119	0.3
207.10257	0.5
209.11760	100.0
210.10274	0.4
210.12119	4.8
217.07132	0.5
221.06606	1.3
225.00716	1.5
227.12834	12.0
228.13078	0.8
235.08195	5.1
251.12868	0.4
253.09273	0.6
255.23256	56.6
256.23621	3.7
259.07986	0.5
263.07776	0.3
269.24994	0.6
287.07837	1.7
297.24133	0.4
305.08749	2.2
323.09717	1.2
361.11353	0.3
379.12439	7.5
379.22433	0.3
380.12656	0.4
397.13483	35.7
398.13754	2.8
415.14560	8.3
416.14804	0.6
589.25250	0.5
607.25830	0.8
635.35986	0.5
653.37042	1.4
863.48425	4.9
864.48914	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
60.17055	0.2
71.57697	0.4
75.89211	0.3
78.95778	72.3
96.96842	5.7
126.49078	0.3
133.59589	0.3
133.96443	0.3
150.97934	1.9
152.99490	100.0
153.99849	1.3
171.00537	2.2
211.05586	0.3
277.21759	1.3
279.23499	0.3
285.40146	0.3
431.22009	51.2
432.22409	4.1
440.94385	0.3
511.18604	0.7
558.31323	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96284	0.2
70.32590	0.3
70.33004	0.5
70.47863	0.1
71.09695	0.1
78.95776	59.2
96.86653	0.2
96.96841	6.5
141.40868	0.1
150.97931	2.0
152.99492	100.0
153.99850	1.2
162.26344	0.1
171.00554	4.5
277.21704	0.5
327.20529	0.2
371.73325	0.2
431.22012	32.3
432.22342	3.0
511.18759	0.5
840.04504	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	862.5445
Annotation	Unknow
Peak:m/z	Relative Intensity
65.84180	0.3
68.24712	0.3
69.79871	0.4
71.01267	0.3
78.95778	1.1
81.62386	0.3
99.08046	3.1
113.09607	0.4
119.20902	0.3
127.07539	0.4
129.09093	2.7
129.56976	0.4
136.25955	0.3
152.99498	0.8
169.12291	5.2
174.00374	0.3
181.12256	3.4
183.13803	1.1
184.30252	0.3
193.12283	1.6
197.11728	1.3
199.13354	10.5
200.13638	0.6
202.69232	0.4
211.13351	8.2
212.13693	0.7
227.12823	1.1
234.94095	0.3
235.17368	0.3
275.20102	0.8
293.21179	3.1
296.68747	0.3
311.22287	2.3
329.23340	100.0
330.23682	7.0
351.96506	0.3
518.29077	0.9
533.21039	0.4
573.27057	0.4
589.53333	0.4
595.93756	0.3
617.38062	0.3
791.47589	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03324	2.9
71.01249	18.4
71.04886	2.6
71.57253	1.3
72.99175	1.7
73.02818	4.2
75.00768	1.0
79.95564	0.9
80.96388	3.6
81.03326	1.6
83.01235	2.9
83.04878	0.9
85.02813	5.9
87.00748	7.6
89.02314	13.5
95.01275	0.9
97.02832	14.3
97.06457	3.0
99.00752	28.9
101.02316	11.8
109.02852	0.9
109.06484	2.4
110.03603	1.7
111.04446	1.4
113.02332	7.4
113.03555	0.9
119.03349	2.3
121.06370	1.0
123.08038	1.0
124.01562	1.3
125.02342	7.0
125.09615	8.9
135.08025	1.5
136.05173	1.7
142.02609	2.9
143.03404	1.5
161.04462	2.1
161.09636	1.2
163.11201	13.1
171.10265	0.8
179.05539	1.5
179.10681	1.1
181.12254	19.2
182.12605	1.0
197.11761	1.6
199.13306	3.3
207.10199	69.7
208.10562	3.2
221.06647	0.9
223.13196	0.8
225.00754	1.8
225.11272	100.0
226.11562	5.1
235.08179	3.0
237.59579	0.9
243.12343	35.4
244.12558	1.3
255.23262	84.0
256.23593	5.2
263.07727	2.1
288.86383	0.9
306.91275	0.8
379.12344	2.7
397.13467	12.5
415.14468	2.3
463.19513	0.9
464.60904	0.9
605.24487	17.9
606.24823	1.8
623.25519	10.7
624.25928	1.2
861.48450	86.2
862.48804	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	861.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01233	32.3
71.56715	29.7
80.96363	52.9
146.50636	20.9
176.84615	22.3
178.11534	22.9
183.01050	32.1
207.10158	85.1
225.11354	29.8
255.23221	100.0
277.21701	33.2
305.08954	24.0
339.20013	34.7
389.69284	26.4
397.13577	37.9
598.65625	30.5
790.80084	25.0
824.05194	25.6
861.47656	96.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
61.30150	0.4
67.01792	0.4
69.03323	2.0
71.01250	22.2
72.99169	2.2
73.02821	3.5
75.00748	1.0
78.95795	0.8
80.96393	0.5
81.03323	1.3
83.01276	2.2
83.04906	0.9
85.02820	6.0
87.00739	6.4
87.04401	0.5
88.98682	1.7
89.02312	18.3
93.03362	0.6
94.78621	0.5
95.01253	1.4
95.04944	0.6
96.81986	0.4
96.94341	0.4
96.95900	0.9
97.02823	5.9
97.06472	1.3
99.00759	1.1
99.04357	0.5
101.02315	16.6
105.01794	1.3
109.02834	0.4
109.06490	0.7
111.00738	1.2
111.04353	0.5
111.08028	7.8
113.02328	9.0
115.03917	0.6
119.03384	5.1
123.08009	0.9
125.02343	7.8
125.09612	3.4
127.07541	0.5
127.11190	2.8
131.03380	0.4
137.09613	0.7
143.03384	3.5
149.04430	1.1
149.09561	0.5
151.11195	0.7
153.09099	0.9
153.12769	0.8
161.04483	4.4
163.11197	1.1
165.12756	2.0
169.12296	3.5
171.10176	100.0
172.10475	4.0
179.04021	0.7
179.05513	5.1
181.12329	1.0
183.13802	1.0
185.11795	1.3
187.09717	0.9
191.14227	0.4
193.12227	0.8
197.11760	36.5
198.12059	1.9
199.13293	2.0
207.10193	0.5
209.11792	1.6
211.13303	6.3
213.11159	0.5
217.07108	0.9
221.06648	2.0
225.11310	0.6
227.12810	2.4
229.28410	0.5
235.08183	5.6
236.08296	0.5
247.20634	1.4
251.16388	0.5
253.09309	1.9
263.07739	0.7
263.20087	1.9
265.18008	1.2
273.18549	1.3
287.07681	1.8
291.19653	26.3
292.20047	2.2
293.21198	0.5
299.38770	0.5
305.08734	2.3
309.20694	98.4
310.21072	7.1
323.09860	1.9
333.20538	0.7
361.11755	0.5
372.36157	0.5
379.12488	4.9
397.13464	48.9
398.13846	3.6
406.71451	0.5
415.08990	0.9
415.14554	18.1
416.14987	1.0
457.76910	0.5
463.30478	0.6
463.83023	0.4
530.99805	0.4
551.22919	1.0
569.24445	3.4
583.33344	0.5
633.35364	0.5
689.33289	2.2
690.34479	0.6
707.35089	1.5
861.45074	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	861.4491
Annotation	Etamycin B
Peak:m/z	Relative Intensity
60.99166	1.7
61.98691	2.5
64.74601	1.0
69.03316	1.4
71.01254	18.4
71.57554	1.9
72.99159	3.4
73.02847	3.0
80.96396	2.8
81.03305	1.2
83.01233	1.9
85.02841	6.1
85.55821	1.0
87.00761	5.8
88.98679	17.3
89.02312	14.4
95.04913	1.6
96.95903	5.8
97.02812	2.6
97.06474	14.0
101.02312	10.9
105.01817	4.6
111.08057	1.4
113.02348	5.4
116.92747	1.8
119.03380	2.7
123.08062	7.3
125.02331	2.9
125.09612	89.7
126.09957	2.1
141.35110	1.4
161.04384	1.9
169.08614	2.1
171.10188	16.7
179.05537	2.4
187.09683	63.4
188.10074	1.9
195.13860	1.8
197.11763	7.9
209.11765	3.4
211.13353	3.1
221.06601	3.8
223.13377	1.8
235.08194	1.6
253.09337	1.6
275.20074	1.4
289.58020	1.1
291.19629	2.9
293.21347	7.3
294.21555	1.5
309.17288	1.4
309.20728	19.1
310.21185	1.5
379.12329	1.6
397.13507	9.3
405.06357	2.0
415.14575	5.1
567.22522	1.4
585.23877	5.1
861.44867	100.0
862.45178	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	861.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
69.49023	1.8
69.49429	6.1
72.70179	1.0
75.18793	1.0
76.48749	0.9
83.17089	0.9
85.02820	1.3
93.03339	1.7
96.95864	1.1
98.82962	0.9
109.02824	2.6
116.92654	0.9
135.00679	1.6
137.02330	2.2
139.03883	2.0
148.01584	3.9
149.02347	3.2
159.04390	1.2
159.83685	1.0
161.49017	1.0
163.00272	12.9
165.01756	1.3
167.04967	1.1
171.04413	3.9
175.00250	3.6
176.01004	5.2
177.01805	2.1
183.04453	1.9
185.06000	1.6
187.03870	1.9
189.01849	1.2
189.05501	1.7
190.99710	1.3
195.04468	2.4
196.05200	1.7
197.05978	1.7
198.03197	1.8
199.03917	2.5
200.04573	1.5
204.00549	1.5
211.03970	10.3
212.04660	3.7
213.02014	1.0
213.05522	9.3
214.02551	1.6
215.03421	11.8
216.03781	1.2
217.04982	2.7
223.03928	1.9
224.14485	1.0
226.02596	2.2
227.03406	4.5
228.04178	3.8
229.04976	3.4
239.03435	9.1
240.04222	4.1
241.01395	1.2
241.04985	11.2
242.02150	3.4
242.09378	0.9
243.02969	7.9
251.03558	1.3
255.03009	9.8
256.03702	15.2
257.04553	18.1
258.04840	1.3
266.02228	1.3
267.02975	22.5
268.03717	4.9
269.04337	2.4
270.01651	9.1
271.02460	8.3
283.02472	68.5
284.03183	17.1
285.04022	22.4
286.04370	2.0
295.02383	4.5
311.01981	21.8
312.02753	78.5
313.03522	67.7
314.03928	3.4
326.18420	1.0
349.07123	5.4
361.06995	1.9
377.06726	8.6
378.07111	1.6
405.06119	2.9
406.06924	94.2
407.07242	7.0
449.56995	1.0
648.14960	1.1
677.55707	1.2
720.68970	1.2
767.20496	20.8
768.21051	2.6
861.24530	100.0
862.24902	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	859.498
Annotation	Unknow
Peak:m/z	Relative Intensity
60.10728	9.5
61.98698	11.1
84.28002	9.9
85.02814	13.5
98.19829	20.8
116.92733	20.9
126.25739	10.3
171.10226	20.9
209.11728	12.1
217.94543	10.9
229.23866	10.9
253.09241	37.6
277.21664	70.7
309.20764	24.2
327.21640	100.0
328.22156	12.3
364.56842	12.2
397.13571	11.6
480.90283	11.0
545.29639	11.9
859.48669	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
69.90849	10.1
71.01231	17.3
71.57947	18.0
78.95753	10.2
86.62483	11.2
89.01645	10.5
101.02326	13.9
129.40512	10.0
171.10201	24.5
205.42781	11.6
235.08177	30.1
253.09210	46.9
277.21689	100.0
309.20700	28.5
313.14252	16.4
327.21814	98.5
433.05807	14.4
545.29401	19.2
859.48907	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31195	7.1
78.95779	70.3
96.96840	4.5
102.41383	0.7
103.51413	0.7
110.98428	1.6
121.03574	0.6
130.04733	0.7
150.97899	2.5
152.99495	100.0
153.99767	0.9
167.01097	2.0
170.87306	0.6
171.00531	2.0
185.01994	0.9
255.23300	2.4
279.23291	17.3
280.23596	1.2
304.79584	0.6
409.23618	50.9
410.23981	4.3
434.18433	0.7
447.19443	1.2
447.25195	14.4
448.25519	1.9
506.27869	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.98367	1.1
71.01253	72.0
71.57715	1.7
72.99168	6.8
73.02835	2.5
80.96381	1.9
81.06969	1.9
83.01261	4.0
85.02827	16.5
87.00732	4.4
88.98669	2.8
89.02316	79.2
95.01254	4.5
96.95877	2.7
99.04411	8.6
101.02321	35.5
111.04413	1.1
113.02334	27.1
119.02565	2.2
119.03391	39.1
130.37366	1.0
131.03406	4.5
143.03400	8.9
147.02925	1.0
149.04424	3.2
150.06715	1.8
150.17563	1.3
161.04457	9.8
161.13261	28.0
162.13536	1.6
179.05539	32.5
187.11183	3.5
191.01877	1.5
205.12274	69.1
206.12599	3.1
220.66782	1.2
227.03447	1.8
239.03424	2.4
244.98405	1.0
249.11296	90.3
250.11650	5.1
255.02901	2.8
267.02734	1.5
283.02423	2.2
311.01904	2.6
331.05975	1.1
333.23126	1.1
376.06046	1.6
385.18713	14.5
386.18851	1.4
404.05267	4.1
405.05957	2.9
429.17630	100.0
430.17896	8.0
525.19946	1.1
526.74561	1.2
674.53015	1.2
859.23145	7.6
860.23376	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	855.5109
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	3.2
69.82957	2.2
71.01252	7.0
72.99177	0.5
73.02807	1.3
81.03323	0.6
83.01232	1.1
83.04886	1.4
84.02045	0.9
85.02823	9.7
87.00731	1.7
88.58641	0.4
89.02318	5.5
95.01237	1.2
95.04894	0.6
96.95881	2.4
97.02817	3.3
97.06471	2.6
99.00787	0.6
101.02321	7.1
109.06451	0.6
111.08040	5.9
113.02332	3.7
119.03370	1.8
119.08520	1.0
123.07987	0.8
125.05972	0.7
125.09590	1.7
127.07500	0.5
127.11127	1.5
137.09598	3.6
141.09090	0.6
145.04964	0.8
151.11176	0.7
153.09123	0.7
153.12741	0.6
155.10612	1.2
161.04453	4.0
163.11119	1.5
164.37289	0.4
165.09108	0.5
165.12729	2.5
167.10617	0.4
168.75964	0.4
169.12285	2.6
171.10184	30.5
172.10506	1.4
177.12749	0.8
179.05516	1.2
179.14238	0.5
181.12224	1.7
183.13832	4.2
185.11783	1.2
186.22923	0.5
193.12253	1.2
195.13808	0.6
197.11766	30.4
198.12108	1.4
199.13293	1.7
201.11218	1.4
203.10577	0.6
209.11774	2.7
211.13339	18.2
212.13608	0.9
221.11818	2.2
223.13358	0.4
227.12848	2.7
229.02269	0.5
229.14388	9.9
235.08200	10.9
239.12808	1.7
247.20616	2.4
251.16515	0.8
253.09258	36.9
254.09541	1.3
263.20154	1.0
265.17996	1.2
273.18655	2.0
273.92215	0.4
291.19662	28.0
292.20099	2.4
293.21277	1.2
309.20709	89.6
310.21036	8.5
327.21762	100.0
328.22073	8.3
343.21375	0.7
433.20621	0.5
494.09338	0.4
514.82202	0.5
527.28510	0.7
545.29596	5.2
546.30511	0.9
563.30756	6.1
564.31097	1.0
603.97455	0.5
619.42059	4.3
620.42151	0.8
649.39740	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.5109
Annotation	Unknow
Peak:m/z	Relative Intensity
60.41165	0.3
61.98695	0.6
69.03336	0.8
71.01254	3.6
71.04890	4.1
72.99171	0.5
73.02808	0.4
78.95776	0.5
79.95615	0.4
80.96386	1.3
83.04895	0.6
85.02827	1.5
87.00722	0.4
89.02309	2.3
93.03365	0.4
93.06972	0.4
94.97969	0.5
95.01289	0.4
95.04889	0.4
96.95895	2.2
97.02808	1.6
97.06453	1.4
99.00760	0.5
101.02325	3.0
102.05473	0.5
107.04890	0.5
109.06505	0.4
111.08033	1.0
113.02351	1.5
119.03419	0.5
120.08034	0.3
121.02846	0.5
121.10129	2.9
122.06026	0.4
123.08009	0.8
125.02345	0.4
125.09595	3.7
127.11195	0.5
135.07954	0.4
137.09624	4.6
139.29556	0.3
141.12733	0.7
148.98952	0.3
151.11160	0.4
152.07019	0.5
161.04446	1.3
163.11150	0.8
165.12735	1.8
165.21960	0.3
169.12239	0.6
171.10188	12.5
172.10632	0.5
179.05464	0.5
179.14371	0.4
181.12242	0.7
183.13831	0.5
185.11746	4.8
186.12027	0.5
193.12451	0.3
193.16008	0.4
194.41943	0.4
195.13806	0.4
197.09962	0.6
197.11757	9.4
197.13536	0.7
198.12088	0.7
199.13297	0.6
207.13919	0.8
209.11809	2.4
211.13324	5.3
223.13377	0.6
225.11449	0.3
225.14955	0.9
227.12837	1.7
229.19684	0.4
233.15407	0.4
235.17010	0.5
237.14919	0.9
239.12956	0.4
247.20668	1.7
251.16515	12.9
252.16844	0.9
253.09253	16.8
254.09502	0.6
263.20084	0.9
273.18710	1.6
289.17969	0.4
291.04053	0.4
291.19666	32.1
292.20016	2.6
295.10376	0.5
309.20700	100.0
310.21054	8.7
327.21649	0.4
373.84744	0.4
379.12192	0.4
397.13693	1.0
407.19016	0.3
503.18231	0.4
527.28711	0.4
545.29791	2.6
832.38507	0.4
837.37097	0.5
855.38977	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	855.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
63.56713	10.2
68.02393	10.8
71.01246	30.5
73.02840	9.0
78.95782	21.4
80.96391	24.2
85.02827	10.5
87.00752	10.9
96.95901	16.0
101.02320	16.8
121.66199	10.9
149.24342	9.3
172.46658	10.7
194.74506	10.0
197.02721	12.3
197.11775	100.0
205.57941	9.4
277.21701	54.7
289.18103	21.4
291.19513	17.7
293.21262	26.8
309.20767	10.0
353.21561	31.5
397.13391	24.5
526.86713	11.9
538.45068	13.1
724.96466	11.7
855.46399	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	855.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	2.1
71.01272	1.5
71.57083	1.1
74.06362	0.6
75.14346	0.5
78.95777	0.8
79.85310	0.7
79.95568	0.6
80.96399	2.1
85.02839	2.1
89.02319	0.7
89.38721	0.6
93.03342	12.0
94.06497	5.7
96.95894	4.3
101.02319	1.5
106.06516	2.2
107.03659	9.8
120.04487	1.6
120.08085	8.5
122.02430	0.9
122.06010	68.9
123.06352	2.6
124.07598	1.7
132.04436	1.2
134.06024	7.9
139.02603	3.3
150.05528	1.7
152.07079	100.0
153.07443	3.9
161.72118	0.6
162.51787	0.6
164.03464	0.8
164.07080	0.9
166.04997	1.6
166.08534	0.7
171.10229	2.3
174.05540	0.7
179.17955	0.7
208.10037	0.7
209.02974	0.7
209.11888	3.9
211.12320	1.3
222.07771	0.7
223.08713	3.7
223.12378	2.3
225.00787	0.6
235.08586	2.0
235.12349	1.5
236.09427	1.4
237.10249	5.0
238.11037	1.1
239.11874	1.9
245.12939	0.8
247.12422	1.2
248.09790	1.1
249.06606	0.9
249.10306	4.0
250.07477	1.3
250.11005	1.1
251.08234	1.4
251.11876	10.1
252.12575	1.3
253.09509	0.8
253.13556	0.7
261.10263	1.4
262.07419	1.0
262.11053	1.1
263.05710	0.8
263.08264	8.4
263.11954	1.9
264.06561	2.4
264.09027	15.7
265.09723	3.2
265.13278	0.6
267.11563	1.1
276.06381	1.1
276.08978	4.4
277.09839	5.7
278.10547	9.8
279.11374	45.8
280.11761	3.9
287.14056	0.8
291.11380	15.9
292.11960	2.4
293.12970	0.7
295.10938	1.0
296.09012	1.4
302.92618	0.6
305.09363	2.0
309.20856	1.0
311.14050	3.3
313.13705	0.9
322.09622	2.1
323.10410	9.3
323.13934	1.2
324.10886	0.8
325.12082	1.3
327.21951	1.4
329.12936	1.9
331.14456	1.0
335.10361	2.4
341.16458	1.3
343.14322	1.8
344.15332	0.9
345.15979	4.2
346.19293	0.7
355.13077	1.0
357.12274	1.3
358.15491	0.8
367.12943	0.8
371.14047	1.4
376.20184	1.7
385.15744	2.3
400.16614	1.4
402.18124	2.5
403.18765	0.9
415.13269	1.8
416.19852	3.1
417.20248	1.2
426.18015	1.5
429.15054	2.5
434.18384	0.7
442.17538	1.5
443.18665	1.2
444.19452	13.3
445.19806	2.3
446.17624	0.8
447.17270	0.7
448.18869	0.9
458.17474	1.0
460.18832	4.7
461.17099	3.4
470.17377	4.2
476.21603	1.0
478.21716	0.8
487.17456	1.3
488.18246	34.4
489.18796	5.1
508.22705	5.3
509.22928	1.2
510.23816	2.0
520.20905	32.8
520.28809	1.6
521.21167	4.9
522.20703	0.8
525.25269	0.8
537.21643	1.0
554.22858	4.6
569.22998	0.7
594.22607	2.8
595.23236	2.8
610.23724	1.1
611.25018	1.8
613.24243	6.6
614.24506	1.6
626.25085	8.2
627.25006	1.1
642.27002	5.5
643.27570	6.6
644.27094	0.8
649.30420	1.3
673.30786	1.7
675.28345	1.7
676.28546	1.3
688.26813	2.8
717.29303	51.6
718.29773	8.8
720.29150	11.3
721.29626	1.9
749.31897	87.8
750.32135	17.7
855.38812	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	855.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	2.5
69.72050	2.5
69.72462	3.4
71.01262	3.1
78.95754	1.3
79.95589	1.3
80.04916	3.8
80.91534	1.4
80.96374	3.5
82.95286	1.0
85.02823	1.8
89.02346	1.3
93.03323	5.1
94.06492	3.0
96.95878	8.7
101.02325	1.8
102.05488	1.1
106.06506	1.1
107.03638	5.7
111.08044	3.8
117.10233	0.9
120.08078	15.3
122.06007	48.5
124.07484	1.5
127.11130	1.1
134.06042	6.1
135.08049	1.4
136.07544	2.3
137.09708	1.2
139.02638	2.4
150.05508	1.4
152.07074	67.1
153.07390	2.3
153.09074	1.3
155.10692	1.2
160.22130	1.0
163.11209	1.5
167.10684	1.5
171.10146	11.8
172.07623	1.1
177.85332	1.0
185.11769	7.5
193.97432	1.0
195.13898	1.2
197.11731	3.6
201.11247	8.9
207.10164	1.4
209.11748	2.7
213.11325	1.2
235.08377	1.6
236.07219	2.5
236.09456	1.5
237.10239	3.3
237.14790	1.0
239.11609	1.3
245.12909	1.9
249.04216	2.5
249.10344	4.0
251.11896	5.3
253.09213	5.6
262.07544	1.1
263.05817	10.7
263.08298	7.0
263.11911	1.9
264.06573	19.9
264.09061	12.2
265.06964	1.6
265.09668	2.4
276.06610	8.8
276.09058	1.3
277.09839	6.6
278.10367	12.6
279.11334	36.1
280.11801	2.7
289.18106	3.5
290.08093	1.5
291.11392	14.4
291.19641	3.3
292.11877	1.2
293.21262	4.7
299.01886	1.4
304.09689	2.6
305.21121	1.7
306.21341	1.4
307.19006	2.6
309.20679	9.7
315.04813	1.3
322.09805	3.0
323.10272	7.5
323.22208	1.7
324.10727	1.1
325.20313	38.5
326.20547	2.3
327.21786	10.2
349.09540	3.1
400.16592	2.3
402.18103	2.8
408.71341	1.1
414.18314	1.3
416.19815	1.7
429.14523	45.7
430.14819	4.7
443.18362	3.2
444.19498	13.6
445.17572	8.0
470.17767	1.4
471.15720	2.9
487.17325	6.9
488.18213	19.6
489.18787	5.4
566.25494	6.2
567.25879	3.4
575.50507	1.1
594.22699	2.5
595.23096	1.1
609.23712	6.6
610.24176	4.6
611.24908	9.8
673.30414	11.4
674.30292	2.4
688.25983	1.3
717.29236	100.0
718.29449	21.9
765.36597	1.6
823.33270	2.0
855.41699	1.9
856.47693	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	855.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
62.21986	1.1
71.57176	1.5
84.92618	1.5
93.03337	19.3
94.06512	5.0
106.06467	1.7
107.03629	8.8
108.04442	1.2
120.04452	1.7
120.08083	6.1
122.06009	61.5
123.06300	1.7
124.07537	1.7
134.06020	7.1
136.07626	1.6
139.02592	2.5
140.54227	1.4
150.05493	2.4
152.07074	100.0
153.07433	5.2
223.08707	2.1
235.12140	1.6
237.10277	4.4
239.11806	1.6
245.12973	1.7
249.10316	4.6
250.07486	2.3
251.11916	8.2
252.21819	1.4
263.08121	5.9
263.11871	2.4
264.06552	2.1
264.08987	11.1
265.09674	4.6
276.09140	2.6
277.09863	7.0
278.10590	7.5
279.11392	34.1
280.11761	3.7
291.11392	13.3
292.11823	1.7
296.09131	2.2
305.09134	2.7
309.20877	1.9
311.10303	1.4
311.13995	3.1
322.09415	1.8
323.10217	6.1
325.11942	1.5
331.14374	2.8
341.16644	2.1
343.10660	1.7
343.14389	2.8
345.15979	4.1
355.13202	2.5
356.11615	2.2
357.12387	2.9
371.13873	4.9
376.20123	2.1
385.15402	3.6
386.18988	1.5
400.16327	2.7
402.18311	2.4
415.12943	5.0
416.19849	1.9
443.18338	1.6
444.19550	6.9
448.18777	2.6
459.00742	1.3
460.18832	3.2
461.17395	4.0
470.17270	3.9
476.21570	1.7
487.17459	1.8
488.18213	22.5
489.18872	3.3
495.71399	1.8
503.69284	1.5
508.18332	3.2
510.23904	2.3
520.20782	17.1
521.20953	2.1
540.21527	3.9
554.22900	3.1
581.21997	1.9
582.22040	2.8
594.22064	2.0
613.24323	28.1
614.24408	9.9
626.25439	1.8
642.26630	6.3
643.27637	4.9
649.30200	2.1
688.26544	11.0
689.26825	2.6
717.29230	34.7
718.29779	8.6
720.29303	66.6
721.29437	19.5
749.18518	2.5
749.31842	49.8
750.32294	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	854.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
60.55831	2.7
71.01254	9.5
71.57674	3.1
71.58066	4.0
76.57493	3.0
77.16367	2.7
78.98470	9.1
79.95606	16.2
80.96387	100.0
85.02820	6.0
87.00760	4.0
88.03916	3.6
94.97968	18.6
96.95895	87.4
97.02805	4.8
98.95463	3.5
101.02354	7.7
106.98019	3.9
116.92748	5.5
122.97474	4.6
125.02350	4.8
134.97505	7.7
136.98955	3.5
141.49263	3.4
148.99057	5.6
149.97951	2.9
152.98532	6.9
160.16306	2.8
164.98503	17.3
171.10175	8.5
171.31599	3.0
193.12067	4.8
195.13809	3.2
197.11659	4.9
209.11850	5.8
225.00725	33.9
225.14778	5.9
253.09268	8.5
277.21631	7.7
293.21304	24.8
294.21570	13.8
296.49249	3.7
325.18442	8.5
341.23325	24.6
342.23663	11.3
437.40283	3.3
544.52838	3.2
765.40973	33.0
766.42084	6.5
854.45770	70.1
855.46942	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	853.4873
Annotation	Unknow
Peak:m/z	Relative Intensity
65.89845	8.9
66.81931	7.9
70.89648	27.2
78.95781	100.0
93.97520	10.1
96.96846	19.6
99.65391	8.0
112.40885	8.1
152.99489	31.2
202.32883	9.9
241.01125	46.2
277.21710	81.2
285.06940	8.5
315.24948	8.3
391.19724	10.7
413.21112	12.2
543.03699	9.3
853.49133	68.2
854.48932	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	853.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98692	0.7
69.03323	3.2
69.47308	4.7
70.78112	0.5
71.01257	11.9
71.04907	1.0
72.99162	0.9
73.02806	2.7
78.95764	0.9
79.95641	0.7
80.02522	0.7
80.96402	1.1
81.03336	2.1
82.69082	0.5
83.01247	2.4
83.04893	2.3
85.02820	11.2
87.00739	2.6
89.02319	5.5
93.03349	0.8
95.01283	1.2
95.04900	2.4
96.95889	10.0
97.02824	4.1
97.05944	0.6
97.06482	5.9
98.95438	0.6
101.02322	9.2
104.44317	0.5
106.04129	0.7
107.04898	1.0
109.02892	0.6
109.06464	2.4
111.04423	0.9
111.08035	2.4
113.02338	4.7
116.24977	0.6
119.03358	1.4
119.04795	0.6
119.08527	1.3
121.06439	1.5
123.04438	2.6
123.08011	1.8
125.02257	0.8
125.05925	0.7
125.09612	6.5
127.11148	1.5
135.08037	0.6
137.05978	0.7
137.09613	6.2
137.88496	0.6
139.11220	0.6
141.12787	0.8
143.03360	0.8
145.04994	1.9
149.05945	0.8
149.09618	1.1
151.11160	1.5
153.09146	0.9
153.12822	0.5
155.10664	1.6
156.60017	0.6
161.04456	5.0
161.09642	0.8
163.07529	0.6
163.11197	5.2
165.12770	3.2
167.10651	1.0
169.12270	1.0
171.10181	34.4
172.10454	1.2
175.11182	0.7
177.12772	1.2
179.05534	1.8
179.10649	0.9
181.12267	2.0
183.13843	2.9
185.11732	7.5
191.10687	1.1
191.14317	6.2
193.12303	1.5
195.13811	1.4
197.11749	9.7
198.12077	0.6
199.13284	0.9
201.11238	2.0
207.10228	3.2
209.11766	19.5
210.12094	1.3
211.13341	18.2
212.13559	0.9
213.11264	1.0
217.15805	1.3
219.13705	0.6
221.11746	3.7
223.13327	1.6
225.11279	2.4
227.12807	2.4
227.18037	0.7
229.14384	10.8
229.16470	0.9
235.08206	10.9
235.13370	0.7
236.08469	0.7
237.11214	4.3
237.14925	1.7
239.12839	2.5
245.19051	12.7
247.16873	0.7
247.20540	0.8
253.09258	34.6
254.09698	1.1
263.20111	4.5
271.17004	1.7
275.20093	1.2
287.16461	0.8
289.18082	54.6
290.18451	3.3
291.19629	12.3
292.19864	1.0
293.21323	7.8
297.15283	1.3
307.19138	62.0
308.19464	5.2
309.20712	22.2
310.21060	2.0
325.20145	11.6
327.21747	100.0
328.22021	7.4
341.19531	2.6
445.20557	1.6
525.27100	2.0
543.27997	2.5
545.29749	1.6
558.44812	0.6
563.31104	3.1
599.39587	0.8
617.40619	1.9
755.42773	1.1
853.50098	3.7
854.50330	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	10.2
69.31898	17.4
71.01249	7.7
76.41122	1.8
78.95763	1.8
80.04916	6.6
85.02830	7.2
87.00742	12.7
94.02863	4.3
94.06499	4.3
96.95908	3.1
102.79402	1.5
104.04929	2.9
106.06496	2.4
107.03625	4.5
108.04440	3.2
115.00269	16.5
120.08086	2.3
122.06001	31.5
124.03901	2.9
132.04468	3.4
134.06017	6.1
136.03970	2.8
138.05560	2.4
139.02618	2.4
139.69844	1.9
148.03993	2.1
148.07556	2.6
150.05472	9.3
152.07080	56.5
162.05444	2.2
174.05504	3.5
175.02425	17.6
176.07169	2.7
184.91318	2.1
190.05031	6.5
191.01872	4.3
201.10255	8.1
208.06100	1.8
209.03001	2.6
213.10287	5.0
227.11827	2.6
229.09818	11.4
229.13354	4.2
237.10251	2.3
239.11772	4.4
245.12885	10.1
255.11339	5.6
257.13034	4.1
265.09848	2.7
267.08005	1.8
267.11356	2.4
273.12524	6.7
277.09912	2.4
278.10599	2.3
279.11282	4.4
283.49457	1.9
289.11948	2.2
291.11279	2.2
292.12106	1.9
293.09427	2.0
295.10889	3.7
301.11938	10.3
307.10519	2.2
309.12387	2.3
313.11990	6.0
319.13007	50.1
320.13434	3.4
323.10284	4.5
325.12048	2.7
327.13559	3.6
345.11551	2.0
355.13031	7.5
356.13367	2.0
374.15054	8.3
391.15729	3.4
392.16125	10.6
397.35910	1.9
416.16074	5.0
434.17157	4.7
446.17441	2.5
508.21750	1.9
532.20551	3.9
538.72766	2.0
539.23096	2.4
544.17273	2.2
557.24335	3.8
576.19897	5.2
578.21960	4.0
599.24994	23.1
633.22394	2.3
634.21069	3.7
641.22589	2.8
643.24072	58.2
644.24487	5.3
673.25018	4.5
675.26642	100.0
676.27094	12.1
683.23584	6.0
701.24725	8.0
715.26550	3.4
733.26978	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	851.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	25.7
70.35083	4.1
71.01257	13.5
73.02822	7.7
79.95591	3.0
80.04931	5.7
83.14521	2.7
85.02814	15.4
87.00755	13.6
94.02891	3.1
96.95907	5.6
98.20271	4.4
101.02341	5.6
106.06471	3.3
106.86432	2.1
107.03680	4.0
108.04435	2.7
111.00771	3.8
113.02343	3.3
115.00246	12.3
119.66570	2.2
122.06001	28.1
124.03951	2.9
132.04440	2.5
134.05992	4.3
136.03969	6.4
138.05518	2.7
149.04570	2.5
150.05522	6.9
152.07066	43.6
160.03940	2.9
164.07086	2.9
175.02412	20.5
190.05090	5.4
191.01944	6.1
201.10257	7.1
209.02943	3.6
209.11765	4.1
213.10246	4.0
224.09550	2.4
227.11983	4.6
229.09801	10.3
245.12965	7.1
255.11395	3.8
257.12894	2.6
279.11270	5.2
289.11948	2.9
295.10712	2.3
301.11691	10.6
313.11938	3.7
319.12970	36.9
319.33823	2.6
323.10385	5.0
325.11859	2.9
327.14001	3.9
355.12973	9.8
374.14993	6.2
391.15024	2.5
392.16199	6.9
416.15967	3.4
434.17294	5.0
532.21216	4.2
576.20026	5.2
578.20587	5.2
599.25354	25.9
634.20685	4.5
643.24127	57.1
644.24548	7.8
673.25427	4.9
675.26721	100.0
676.27020	13.6
683.23688	5.4
701.24738	9.3
715.26080	5.4
733.27277	7.1
791.27368	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	849.279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	87.7
70.97171	3.7
70.97511	3.6
71.01258	24.1
72.99182	2.1
73.02827	6.8
81.03316	3.6
83.01259	10.4
85.02834	12.1
99.00751	4.1
99.04399	100.0
100.04716	2.4
101.02327	40.5
107.04899	1.9
111.91978	1.9
112.01530	3.0
113.02328	8.2
125.02338	39.9
143.03384	6.4
147.04179	3.7
160.82271	1.6
161.04524	9.2
166.99512	2.3
183.02721	17.4
191.03262	2.6
211.94534	1.8
226.17896	2.0
227.01686	3.0
251.09207	3.5
269.10324	23.9
291.08517	5.3
309.08527	8.1
311.11270	18.2
312.11710	2.7
333.09521	3.7
335.07422	6.4
351.10599	21.9
351.14450	3.7
353.08517	7.5
364.52808	1.7
391.13422	2.2
410.89532	2.1
413.14517	58.3
414.14865	5.7
427.14597	2.3
435.12704	21.5
479.11850	4.4
849.28113	7.0
849.51691	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	847.4973
Annotation	Unknow
Peak:m/z	Relative Intensity
70.64456	34.7
70.74450	10.9
78.95772	47.6
80.96387	28.2
101.29641	10.9
102.26334	10.9
128.43918	10.8
129.81418	11.5
178.58003	11.4
195.13905	15.2
213.38385	10.5
255.23247	35.5
402.73328	11.4
422.58115	12.3
723.74890	11.4
754.52344	13.5
847.49310	100.0
848.50177	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	847.495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.8
59.42460	0.5
71.01234	1.8
72.79295	0.6
78.95774	13.8
78.96212	1.1
78.98440	1.3
79.95596	2.9
80.96387	14.8
87.00723	0.7
94.97960	3.5
96.96832	3.5
97.02830	0.8
101.02326	0.6
125.02312	1.3
125.86115	0.5
134.97478	1.1
136.99040	0.6
148.99016	2.1
152.98491	1.7
152.99493	4.4
164.98610	3.8
166.05231	0.5
192.95772	0.7
195.13861	1.6
206.99652	1.1
217.00244	2.1
223.00076	1.7
223.13402	1.1
225.00691	7.7
229.57083	0.5
229.59203	0.8
241.01172	10.7
255.23277	16.1
256.23703	1.2
259.02304	0.9
275.20078	1.6
280.25238	0.7
290.22644	0.6
293.21152	6.0
315.04691	0.7
391.22626	1.6
429.20395	0.8
494.76694	0.7
553.28381	1.5
591.25342	1.1
658.36218	0.6
847.49139	100.0
847.98315	1.7
848.49469	21.6
865.84943	0.7
869.73651	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	5.0
71.57402	3.3
78.95777	51.6
89.11056	2.1
96.96841	10.5
101.96684	2.1
127.14201	1.9
152.90546	2.4
152.99521	12.1
158.02457	2.3
171.10107	2.8
182.30173	2.1
192.95749	3.0
217.00288	3.5
223.00046	5.2
235.17024	2.1
241.01193	21.3
255.23265	33.8
256.23444	2.5
275.20181	9.1
293.21213	12.6
368.26392	2.2
374.99310	3.2
391.22446	5.7
552.22351	2.2
553.27856	4.4
685.44360	3.1
847.49792	100.0
848.50214	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	847.489
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	2.9
63.96093	0.6
69.03319	0.5
69.49664	2.6
71.01260	5.0
72.99168	0.9
73.02806	1.3
73.03236	0.5
78.95777	10.3
78.98456	5.2
79.95599	10.6
80.96391	50.8
81.03333	0.7
82.95955	1.2
85.02821	1.7
87.00749	2.0
94.97382	0.7
94.97962	12.5
95.01231	0.4
96.95251	0.5
96.95874	1.6
96.96836	2.8
97.02812	1.8
99.00715	0.6
99.04419	0.5
101.02320	2.6
106.97964	2.0
113.02340	0.6
122.97483	3.0
125.02357	4.2
127.03887	1.2
134.97510	4.9
136.99001	2.0
138.80724	0.5
148.99046	6.3
152.94385	0.5
152.98517	7.9
152.99530	2.4
164.98538	16.2
171.10136	0.6
188.98512	0.6
190.20557	0.5
195.13841	1.4
206.99557	4.2
211.13425	0.6
217.00264	1.2
223.00154	0.8
223.13341	0.8
225.00703	26.6
226.01047	1.2
227.00369	0.6
235.16942	0.5
241.01192	7.0
255.23256	17.7
256.23514	1.1
259.02094	0.6
275.20114	1.4
277.21692	1.1
283.04855	1.6
291.19647	0.6
293.21228	6.0
339.20050	0.6
341.05209	0.8
391.22577	0.9
423.24985	0.8
509.78323	0.6
537.27325	2.2
553.27850	0.6
591.24707	2.0
609.28613	0.6
754.04437	0.6
847.48865	100.0
848.49231	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	0.5
63.96099	2.1
69.03332	1.0
70.69005	0.5
71.00887	0.8
71.01249	9.1
72.99162	0.5
73.02817	1.8
78.98457	7.6
79.95245	0.3
79.95600	17.5
80.96386	90.6
81.03336	0.7
82.95968	0.6
83.01234	0.6
85.02823	3.1
87.00743	4.1
94.97952	20.6
96.95897	1.9
97.02822	2.2
99.00756	0.6
99.04441	0.5
101.02309	3.5
106.97961	3.9
107.30487	0.4
113.02309	0.8
122.97456	4.1
125.02319	4.8
127.03903	0.8
134.97456	6.1
136.99026	1.4
143.47162	0.4
148.99042	8.3
152.98553	6.4
161.04420	0.6
164.98532	14.6
176.63828	0.5
188.98491	0.5
206.99648	3.2
210.22656	0.5
225.00685	24.4
226.00984	1.1
227.00192	0.6
255.23157	2.3
283.04941	0.9
398.36978	0.5
537.27515	1.4
591.24744	2.2
749.50323	0.5
847.48718	100.0
848.49042	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.2
63.96116	2.1
69.03326	1.0
71.01254	9.6
72.62807	0.4
72.99189	0.6
73.02824	2.3
77.68712	0.3
78.98460	9.2
79.95602	21.2
80.96388	100.0
81.03348	0.7
81.96341	0.6
82.95968	1.0
83.01194	0.6
85.02827	4.4
87.00744	4.0
94.97959	21.6
95.01276	0.7
96.95893	1.7
97.02814	1.9
99.00735	0.8
101.02319	3.8
106.97271	0.5
106.97977	4.4
113.02355	0.6
122.97475	4.4
125.02338	5.0
126.02747	0.4
127.03883	1.6
134.97466	7.8
136.99039	2.1
143.03433	0.4
146.97484	0.6
148.99049	8.8
152.98529	9.2
161.04526	0.6
164.98538	17.3
165.98793	0.5
167.00143	0.6
179.00107	0.7
188.98515	0.5
206.99625	4.2
210.09624	0.4
225.00691	30.5
226.01010	0.9
255.23352	2.4
264.91266	0.4
283.04788	0.9
537.27332	2.4
591.24756	2.6
723.48822	0.5
734.40778	0.4
847.48737	70.9
848.49097	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	847.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.2
69.38300	1.1
78.95767	0.2
79.95609	3.6
93.03330	0.2
96.95890	100.0
97.95848	0.3
98.19848	0.3
98.20515	0.2
116.92756	0.2
120.08113	0.7
122.05999	1.2
124.03886	0.1
125.54342	0.1
150.05515	0.1
152.07057	1.8
158.02386	0.3
190.05035	2.3
207.90948	0.1
225.11250	0.1
226.12378	0.6
255.14828	0.1
255.23520	0.2
265.09634	0.1
287.13800	0.2
289.18301	0.1
293.09433	0.1
296.11252	0.2
323.10492	0.1
325.11993	0.3
355.13007	3.8
356.13354	0.2
358.43271	0.1
614.24762	0.3
628.06659	0.1
643.28241	0.3
664.20300	0.3
708.24133	0.1
749.32068	1.1
750.32727	0.4
787.26904	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.9
63.96104	2.2
69.03322	0.7
70.13877	1.8
70.14214	0.5
71.01257	9.8
72.99213	0.5
73.02814	1.6
78.98463	8.2
79.35294	0.4
79.95605	21.0
80.96388	100.0
81.03323	1.2
83.01253	0.5
85.02821	3.7
87.00733	3.8
90.22401	0.4
90.74400	0.4
94.97958	22.4
95.01233	0.5
96.95889	1.7
97.02818	1.9
99.04391	0.5
101.02331	2.7
106.97951	4.1
122.97462	4.6
125.02340	4.0
127.03878	1.3
134.97476	7.4
136.99046	2.2
146.97537	0.7
148.99049	8.3
152.97408	0.7
152.98543	8.6
164.98544	15.3
167.00116	0.8
169.79469	0.5
206.99622	4.0
213.54277	0.4
225.00702	25.8
238.04370	0.4
241.00124	0.5
244.09937	0.4
255.23267	2.4
283.04959	0.8
341.05353	0.6
355.06830	0.6
537.27374	1.1
589.23260	1.4
606.65674	0.4
782.99298	0.6
792.50098	0.5
845.47211	93.3
846.47485	19.1
859.13892	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.9
63.96104	2.2
69.03322	0.7
70.13877	1.8
70.14214	0.5
71.01257	9.8
72.99213	0.5
73.02814	1.6
78.98463	8.2
79.35294	0.4
79.95605	21.0
80.96388	100.0
81.03323	1.2
83.01253	0.5
85.02821	3.7
87.00733	3.8
90.22401	0.4
90.74400	0.4
94.97958	22.4
95.01233	0.5
96.95889	1.7
97.02818	1.9
99.04391	0.5
101.02331	2.7
106.97951	4.1
122.97462	4.6
125.02340	4.0
127.03878	1.3
134.97476	7.4
136.99046	2.2
146.97537	0.7
148.99049	8.3
152.97408	0.7
152.98543	8.6
164.98544	15.3
167.00116	0.8
169.79469	0.5
206.99622	4.0
213.54277	0.4
225.00702	25.8
238.04370	0.4
241.00124	0.5
244.09937	0.4
255.23267	2.4
283.04959	0.8
341.05353	0.6
355.06830	0.6
537.27374	1.1
589.23260	1.4
606.65674	0.4
782.99298	0.6
792.50098	0.5
845.47211	93.3
846.47485	19.1
859.13892	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4692
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.22186	0.5
60.33123	0.5
61.98689	0.8
71.01262	0.8
71.57646	0.9
71.58082	0.7
78.95793	1.2
80.96384	0.8
87.00750	0.7
88.98695	2.0
93.52135	0.7
96.28394	0.6
99.89048	0.6
105.01833	1.7
125.80116	0.6
138.20761	0.5
142.23155	0.6
152.99506	0.9
165.22746	0.5
180.06741	0.6
195.88231	0.6
211.13402	2.1
245.04376	0.8
255.23396	0.8
285.96033	0.5
323.22232	1.0
325.18515	1.3
339.20071	0.8
372.71548	0.7
397.65833	0.7
481.25516	1.1
688.79657	0.7
792.97980	0.7
845.45789	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4692
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.22186	0.5
60.33123	0.5
61.98689	0.8
71.01262	0.8
71.57646	0.9
71.58082	0.7
78.95793	1.2
80.96384	0.8
87.00750	0.7
88.98695	2.0
93.52135	0.7
96.28394	0.6
99.89048	0.6
105.01833	1.7
125.80116	0.6
138.20761	0.5
142.23155	0.6
152.99506	0.9
165.22746	0.5
180.06741	0.6
195.88231	0.6
211.13402	2.1
245.04376	0.8
255.23396	0.8
285.96033	0.5
323.22232	1.0
325.18515	1.3
339.20071	0.8
372.71548	0.7
397.65833	0.7
481.25516	1.1
688.79657	0.7
792.97980	0.7
845.45789	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	19.6
65.34197	0.6
66.96379	0.6
69.03313	2.1
70.64213	0.9
70.64542	1.5
71.01252	16.4
72.99174	1.5
73.02811	2.3
75.00717	0.9
78.95789	1.2
80.02570	0.8
81.03326	1.3
83.01256	1.7
83.04865	0.7
85.02818	3.5
87.00755	3.2
89.02324	12.7
93.03342	0.7
95.01236	1.3
95.04877	1.7
97.02816	3.4
97.06469	15.9
99.00742	0.9
101.02315	11.6
105.01807	1.4
113.02330	4.7
117.20453	0.8
119.03378	2.4
123.08044	9.8
125.02317	2.6
125.09612	78.2
126.09895	2.4
143.03383	1.0
143.10678	1.5
152.33029	0.7
153.70590	0.7
160.80069	0.7
161.04349	1.2
169.08609	2.2
171.10129	1.6
179.05544	1.0
187.09686	39.8
188.09975	1.5
209.11737	2.1
211.13315	1.1
221.06580	1.7
235.08176	1.0
253.09105	1.0
277.21713	33.5
278.22055	2.5
309.20651	0.7
325.18460	2.1
326.18726	0.8
397.13351	5.8
399.93393	0.7
415.14621	1.1
484.96582	0.8
567.22644	3.7
585.23999	2.9
845.45343	100.0
846.45660	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	16.0
61.98708	2.2
71.01252	13.7
71.57024	1.1
72.99174	1.5
73.02811	2.3
74.86910	0.7
78.95786	1.8
83.01231	1.1
83.04913	1.0
85.02807	3.3
87.00742	3.7
89.02316	10.9
95.01268	1.5
95.04890	1.6
97.02834	2.2
97.06469	15.0
101.02320	9.7
104.90770	0.7
105.01804	1.2
111.00775	1.0
113.02316	4.0
118.80157	0.6
119.03397	2.4
123.08042	7.5
125.02336	1.9
125.09605	100.0
126.09949	3.8
143.10675	2.1
152.99483	1.5
161.04462	1.4
169.08582	2.3
171.10168	1.2
179.05446	1.2
180.99898	0.6
187.09676	70.2
188.10080	3.3
197.02672	1.4
209.11760	2.2
211.09674	0.9
211.13275	0.8
213.33870	0.7
221.06642	3.8
235.08232	1.0
247.95572	0.6
255.23126	0.8
261.13483	0.9
269.00204	0.7
277.21698	10.8
293.21045	1.1
304.01526	0.6
311.16763	0.7
325.18399	5.2
326.18661	0.7
397.13269	1.5
405.17523	1.1
524.96649	0.8
567.22888	2.9
585.23969	5.2
665.39728	0.8
670.90375	0.7
839.73004	0.7
845.45294	97.6
846.45819	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	14.8
61.98697	0.2
66.13966	0.2
69.03327	0.9
71.01252	14.1
72.99178	1.3
73.02818	2.3
75.00739	0.5
78.95777	0.5
79.55276	0.2
81.03340	0.6
83.01258	1.7
83.04883	0.3
85.02823	3.5
87.00751	3.6
87.04377	0.2
88.98684	0.3
89.02318	11.9
90.02649	0.3
91.03884	0.3
93.56229	0.2
94.97944	0.2
95.01260	1.2
95.04903	0.3
96.95913	0.5
97.02831	2.0
98.20547	0.6
99.00769	0.8
99.08027	0.2
101.02325	11.2
105.01810	0.5
111.00759	0.4
111.04418	0.4
111.08062	0.4
113.02329	6.0
113.09589	0.3
119.03388	3.0
121.02872	0.2
125.02339	4.8
125.09583	1.3
127.11162	1.6
131.03397	0.7
133.04922	0.3
139.03954	0.3
141.01881	0.3
143.03398	2.3
144.01297	0.2
145.05009	0.4
149.04518	0.4
153.09082	0.4
155.10695	0.3
161.04463	3.0
167.10728	0.3
169.04994	0.2
171.10181	74.6
172.10518	3.1
179.05524	3.1
179.14381	0.7
183.13791	0.3
185.11801	0.3
195.13837	6.5
196.14452	0.4
199.06017	0.3
205.12283	0.6
205.15950	0.5
209.11774	0.3
211.13313	1.2
213.11282	0.4
217.07101	0.6
221.06581	1.3
223.13350	5.7
224.13600	0.4
225.11526	0.3
225.14943	0.4
228.13617	0.6
229.76172	0.2
231.21088	0.3
235.08192	4.4
245.06607	0.4
253.09219	1.3
256.13141	0.8
263.07605	0.3
265.21835	0.3
275.20157	5.4
276.20435	0.6
287.07739	1.9
293.21219	100.0
294.21542	8.1
305.08755	1.5
323.09900	0.8
379.12405	3.8
397.13489	36.1
398.08911	0.4
398.13843	3.1
415.14551	12.0
416.14920	0.9
447.31042	0.6
551.23395	0.9
569.24475	2.7
570.24542	0.4
617.35126	0.3
673.35089	0.6
684.28564	0.3
691.35358	0.9
785.39575	0.5
808.37158	0.3
809.11212	0.3
817.00598	0.3
845.43652	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	6.0
71.01249	3.5
80.21054	0.9
89.02329	1.9
93.03336	7.1
98.20554	1.8
105.64325	1.0
113.02258	1.1
119.01411	0.9
119.03384	1.3
123.00709	1.0
123.04421	1.3
132.02078	1.3
133.02826	1.9
134.33736	0.9
135.00772	1.7
143.04948	5.6
155.04932	1.6
163.00293	4.0
169.06516	2.7
171.04430	3.3
173.05975	2.3
175.00275	1.1
176.01035	2.8
177.01801	1.2
180.05637	1.9
181.06535	2.9
182.47104	0.9
183.04445	7.0
185.06000	1.6
187.98589	0.9
195.04385	4.4
196.05246	2.7
197.06017	13.6
198.03090	1.4
199.02104	2.2
199.03947	38.2
200.04333	2.5
201.05472	6.2
205.12238	0.9
207.04373	1.0
211.03903	3.9
212.04538	1.4
213.05493	5.7
215.70641	1.0
223.04025	4.4
224.04727	6.2
225.05539	15.3
226.02684	1.2
226.06108	1.1
227.03450	25.8
228.03935	1.4
239.03453	14.1
240.04184	6.8
241.05063	16.0
249.11296	1.6
251.03487	3.0
253.05096	3.1
254.02139	1.7
255.02910	5.6
257.04538	2.7
267.02994	43.4
268.03729	10.9
269.04544	28.0
270.04910	2.6
284.03259	2.7
285.04095	1.4
289.08636	1.2
293.04263	1.2
295.02505	12.1
295.99899	2.0
296.03253	37.9
297.04037	89.5
298.04324	5.9
317.08215	1.6
333.07684	94.9
334.08035	9.6
345.07663	1.2
361.07159	27.3
361.11731	1.6
362.07666	7.9
390.07465	62.2
391.08051	16.3
401.60239	1.0
428.41760	1.0
429.17685	2.2
456.96310	1.0
465.24744	1.2
689.24097	1.5
751.07672	1.7
751.20917	26.4
752.21429	3.2
845.25067	100.0
846.25385	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	844.5343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	4.2
69.03305	1.5
69.36626	8.4
71.01256	1.3
71.04908	5.5
78.95786	21.5
84.05914	0.9
91.29652	0.9
97.06490	2.4
98.20560	2.4
99.08089	1.1
101.41458	1.0
113.09615	1.8
121.02930	1.1
146.42946	1.1
152.99487	5.5
168.04242	3.6
171.10190	5.0
195.13853	20.7
207.13831	1.4
207.17546	1.1
210.15831	1.2
221.15448	14.0
222.16100	1.1
223.16985	6.7
224.06908	6.5
229.19626	1.9
233.15434	7.9
242.08054	1.9
247.71654	1.1
251.16498	32.7
252.16835	1.3
273.18600	5.1
277.21698	13.6
286.87015	1.0
291.19653	14.8
292.20044	1.1
293.20789	1.1
294.21658	1.4
295.22806	55.3
296.23148	3.1
309.20724	88.7
310.21057	8.4
342.60095	1.0
449.23624	1.3
500.31522	1.1
510.14853	1.2
520.30469	100.0
521.31000	10.4
532.77081	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01584	0.8
65.45757	0.3
69.03326	1.2
69.52863	2.7
71.01250	29.6
72.99182	1.6
73.02814	23.6
74.03146	0.5
75.00753	0.5
81.03320	0.5
83.01254	9.2
83.04883	0.8
85.02811	3.7
86.36475	0.3
87.00764	1.0
89.02315	9.2
95.01261	1.0
96.95898	1.9
97.02810	0.5
98.19845	0.7
99.00755	0.5
101.02320	29.8
102.02662	0.6
102.14782	0.3
111.00719	0.4
113.02327	11.6
119.03376	4.8
124.47884	0.3
125.02361	1.1
131.03406	3.2
143.03400	3.6
147.02895	0.4
149.04457	6.8
155.03423	0.9
161.04462	12.2
162.04834	0.3
163.11238	0.6
179.05557	0.9
203.05505	2.1
209.11763	24.3
210.12065	1.5
221.06606	4.3
227.12854	3.6
231.81567	0.3
242.16158	0.3
253.09258	3.8
261.13486	0.8
303.14590	1.6
445.20914	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	2.4
63.58371	0.9
71.01222	0.9
71.04891	9.6
71.37184	1.2
72.20762	0.8
78.95776	5.6
92.81170	0.8
96.95872	2.9
97.06468	1.8
118.49019	0.8
121.10117	2.3
125.09605	2.3
137.09619	8.4
152.99475	3.0
171.10181	20.8
183.13908	1.0
185.11742	2.7
195.13780	1.2
206.29042	0.9
207.13881	0.9
223.13405	1.5
233.15547	1.2
235.17119	1.8
237.14868	1.6
247.20711	1.0
251.16533	9.3
275.20358	1.4
291.19641	21.9
291.22690	1.8
292.20026	1.1
293.21259	12.4
309.20718	100.0
310.21140	5.3
445.27985	0.9
490.26004	1.9
518.28900	18.5
519.29089	2.1
852.94592	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	2.0
69.42410	5.9
71.04896	9.4
78.95785	9.1
80.29051	0.7
83.04907	1.2
96.95894	3.8
97.06467	3.1
98.19839	1.5
107.04890	1.5
107.20445	0.8
121.10148	3.7
123.08030	0.8
125.09619	3.9
137.09637	6.6
141.12791	0.8
149.07892	0.7
149.74551	0.8
151.11063	0.7
152.99469	2.6
164.33763	0.8
168.04274	1.0
171.10184	12.9
175.33658	1.1
185.11769	6.5
197.11722	0.9
207.13861	1.3
219.13965	1.2
235.16977	19.4
236.17337	1.2
237.14964	1.0
242.07925	2.9
250.47189	0.8
251.16508	20.5
251.19017	1.3
275.20148	22.4
276.20517	1.0
278.79221	0.9
291.19666	32.2
293.21237	26.4
294.21506	1.4
309.20712	100.0
310.21085	5.2
322.41809	0.8
447.21542	1.2
490.25851	0.8
518.28864	61.5
519.29120	4.1
568.62549	0.8
742.80518	0.8
783.44482	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	5.6
71.01260	0.8
71.57343	0.8
78.95779	15.6
83.04858	1.0
96.95884	2.2
97.59896	0.8
113.09642	3.9
135.74347	0.7
140.01059	6.2
149.13269	2.8
152.99509	1.9
177.16425	0.9
178.95915	0.7
181.12149	0.7
193.12260	18.6
196.03787	4.4
199.13284	1.0
203.17961	1.0
214.04825	6.0
224.16705	0.7
231.21107	4.2
238.99950	0.7
257.19104	1.0
275.20145	16.6
276.20673	1.1
293.21222	48.3
294.21558	3.5
309.20718	1.3
314.73181	0.7
329.23260	9.3
330.23645	1.2
331.92392	0.7
359.79529	0.7
416.36749	0.7
441.56833	0.7
490.25745	100.0
491.26111	11.0
512.22681	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.5311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	2.5
61.98699	0.6
69.03316	2.3
69.83649	0.6
70.58224	1.5
71.01245	2.4
71.04884	1.5
73.02814	0.8
78.88908	0.5
78.95769	0.6
81.03367	0.8
82.95975	0.5
83.04886	2.0
85.02821	1.5
85.06452	1.1
87.00758	0.9
89.02325	1.5
93.03333	0.5
95.04893	0.8
96.95889	3.6
97.02813	6.2
97.06454	1.5
98.20048	1.1
101.02322	1.5
107.04932	0.7
109.06459	1.6
111.04368	0.6
111.08000	1.1
113.02332	0.8
119.08557	1.0
121.02907	0.5
122.03628	9.6
123.08038	0.6
125.09592	1.5
127.07555	0.6
135.04434	0.7
137.09601	1.6
149.06046	0.7
151.11244	0.6
161.04433	0.7
163.11166	2.0
163.88226	0.5
165.12721	2.9
171.10197	5.7
175.11224	0.5
177.12776	1.0
179.14325	1.8
181.12250	2.0
183.13812	1.4
193.12263	2.3
195.13820	8.0
196.14183	0.7
197.11725	0.8
197.81735	0.6
201.11305	1.2
207.10223	0.9
209.11790	3.4
211.13371	2.0
221.15433	3.0
222.70538	0.5
223.13489	2.8
223.16925	0.8
227.12822	2.1
235.17003	0.6
239.16382	0.9
247.20598	3.2
251.16524	1.3
253.09254	13.0
271.02319	0.6
273.18573	1.5
277.21747	2.4
291.19659	32.5
292.19968	3.2
293.20892	0.9
295.22766	32.4
296.23038	1.9
299.01865	0.9
309.20691	100.0
310.21042	11.3
311.21326	1.9
413.30740	0.8
431.30731	3.9
463.42178	0.6
515.98669	0.7
531.31860	1.1
635.37805	8.5
636.38239	2.1
841.42053	0.8
842.42920	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
63.98817	1.0
65.03838	47.9
66.16841	1.0
67.01768	1.2
69.03343	1.2
71.04895	22.0
71.06406	1.0
71.57722	2.2
78.95774	20.3
97.06476	46.3
119.08549	7.6
121.06493	71.2
122.06818	2.6
123.08073	2.4
125.09623	34.2
137.09578	2.1
152.99495	4.8
164.08336	1.2
168.04181	2.7
185.11769	58.6
186.12138	1.2
195.13863	4.8
209.11795	31.2
211.13364	27.3
211.15367	1.5
212.13731	1.8
217.12321	1.5
223.13327	3.3
224.06934	6.2
227.74147	1.2
235.13374	68.4
236.13731	2.7
241.21397	1.2
242.08034	2.6
275.20200	2.7
289.15149	2.0
289.18137	25.7
290.18466	2.4
293.21216	32.7
294.21494	2.8
307.19168	100.0
308.19598	8.1
412.70215	1.3
447.21481	2.7
518.28925	81.7
519.29376	7.8
535.89276	1.2
665.87482	1.3
692.69293	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	839.516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	6.4
67.45966	1.1
67.80487	1.0
69.03317	1.0
70.13892	2.2
70.14278	4.7
71.01258	3.0
71.04892	5.9
78.95780	5.1
86.33113	1.0
89.02326	2.7
96.95889	4.3
97.06469	4.3
101.02345	1.8
125.09637	2.0
152.99506	2.1
161.04483	1.9
171.10216	1.6
185.11729	2.4
189.16484	1.1
195.13855	10.9
207.13882	3.0
207.17496	2.8
211.13298	9.3
221.15453	16.4
223.13390	3.1
223.16913	9.9
229.19499	1.4
233.15509	7.5
235.16878	1.2
236.13745	1.1
247.43170	1.1
251.16512	39.2
252.16838	2.8
253.09294	26.7
273.18622	4.9
275.20172	4.1
289.18179	1.9
291.19693	34.9
292.20035	2.0
293.21228	61.8
294.21490	6.0
303.21790	1.2
307.19174	2.5
309.20700	100.0
310.17886	1.1
310.21100	7.7
529.29962	2.1
655.35339	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	839.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	1.7
69.03326	0.9
71.01266	0.6
71.04894	2.1
71.57674	1.1
78.95780	2.5
84.46481	0.7
96.95900	1.9
109.06535	0.6
113.79544	0.6
129.09094	0.7
133.06154	0.5
152.24821	0.6
152.99503	0.8
155.25069	0.6
171.10175	0.6
191.71246	0.6
195.13867	5.9
207.13826	1.6
207.17429	3.0
221.15431	2.5
223.16965	10.4
224.17458	0.9
233.15421	7.6
235.17061	1.2
251.16505	33.5
252.16841	1.3
253.09236	1.1
275.20157	1.4
291.19711	4.5
293.21289	3.3
309.20706	100.0
310.21054	5.7
433.18594	0.7
530.57214	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	7.0
62.41482	0.3
69.03313	1.3
71.01250	6.8
71.35289	0.7
72.99168	0.4
73.02825	1.1
77.37981	0.4
78.87694	0.3
83.01248	0.8
83.04921	0.5
85.02815	5.2
87.00744	1.1
89.02324	4.2
95.01278	0.6
95.04897	1.1
96.95890	0.6
97.02844	1.1
97.06467	3.3
99.00770	0.6
101.02330	5.1
111.00778	0.4
111.08046	0.6
113.02339	3.5
119.03381	1.3
123.08027	0.4
125.02400	0.3
125.09571	1.0
127.11185	1.1
131.03452	0.4
137.09619	0.9
141.01649	0.5
143.03380	0.9
145.04976	0.4
155.10680	1.0
161.04485	3.2
165.12743	1.1
167.10747	0.5
171.08733	0.8
171.10193	13.0
172.10527	0.6
177.12749	0.6
179.05563	0.8
179.14284	0.9
181.12329	0.7
183.13866	2.5
185.11781	0.8
185.88260	0.3
193.12209	0.8
195.13840	6.9
196.14406	1.2
197.11719	0.8
201.11349	0.5
205.12314	0.4
209.11766	1.4
211.13348	13.7
212.13644	1.0
221.11789	2.4
223.13327	4.5
224.13579	0.4
227.12990	0.5
229.14395	9.7
230.14688	0.4
235.08200	7.2
235.17120	0.5
239.12900	1.5
240.27473	0.3
253.09267	34.4
254.09691	1.4
256.13058	1.0
275.20154	5.0
291.19669	4.2
293.21225	100.0
294.21564	7.0
309.20703	8.0
310.21017	0.6
311.16675	0.4
327.21756	75.3
328.22073	5.8
492.22217	0.8
529.30316	1.6
545.29626	1.3
563.30707	5.5
603.42737	4.1
604.42987	0.9
839.50397	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.2
65.93249	0.1
71.21361	0.3
73.55868	0.1
79.95203	0.1
79.95644	0.4
80.43623	0.1
85.02829	0.1
94.66954	0.1
96.95877	0.2
103.32716	0.1
133.06450	0.1
136.52396	0.1
170.00269	0.2
171.10153	0.2
183.01129	3.3
183.02669	0.2
184.01784	0.5
197.02704	23.2
197.11749	0.3
198.03452	2.9
198.12099	0.2
209.32724	0.1
211.04294	1.4
211.13330	0.4
212.05084	0.2
212.13641	0.2
216.01010	0.3
225.05933	0.3
230.02489	2.9
231.02823	0.1
235.08287	0.2
239.07217	0.3
244.04092	0.4
253.09270	0.6
258.05508	0.1
267.10492	0.3
281.11969	0.2
291.19629	0.5
292.19980	0.2
293.21201	0.9
309.20676	0.6
310.21057	0.4
311.21359	0.2
325.18405	100.0
326.18735	8.4
327.21851	0.5
347.99219	0.1
358.81470	0.1
362.35892	0.1
516.82220	0.1
621.58087	0.1
798.42456	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	839.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95176	0.2
79.95644	0.4
88.12542	0.1
133.06477	0.3
142.33467	0.1
156.91241	0.1
171.10188	0.2
183.01126	3.4
184.01833	0.7
197.02704	21.8
198.03412	3.0
199.03781	0.2
207.96997	0.1
211.04295	0.7
212.04988	0.4
216.00912	0.3
225.05777	0.3
230.02477	2.6
239.07330	0.3
240.08067	0.1
244.04076	0.3
253.09074	0.4
281.11908	0.2
293.21060	0.2
295.13528	0.1
309.20749	0.4
310.20993	0.2
322.90784	0.1
325.18411	100.0
326.18735	9.7
327.21713	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	5.1
69.03321	1.5
71.01247	4.3
71.04908	0.4
71.13618	0.4
71.13972	0.5
73.02821	1.0
75.00082	0.2
80.02553	0.3
80.59261	0.2
83.01251	0.4
83.04906	0.8
85.02824	1.3
87.00760	1.0
89.02315	3.1
95.04941	0.5
96.95896	1.4
97.02818	3.3
97.06474	0.8
99.12216	0.3
101.02317	3.3
109.06475	1.1
111.04434	0.3
111.08036	6.4
113.02351	1.8
119.03382	0.8
119.08537	0.3
121.06458	0.2
122.66981	0.2
123.04458	0.3
123.08051	0.6
125.09597	1.0
127.07510	0.6
137.09680	1.2
141.09177	0.4
143.03442	0.6
145.04990	0.3
151.11215	0.7
153.09082	0.3
153.12735	0.6
161.04491	2.2
163.11165	1.1
165.09058	0.3
165.12759	2.2
167.10651	0.7
167.14317	0.2
169.12225	2.6
171.10202	3.6
177.12801	0.3
179.05464	0.5
179.10709	0.4
179.14323	0.6
181.12265	1.8
183.01360	0.2
183.13863	1.5
185.11731	0.6
193.12302	1.4
193.15842	0.4
195.13814	1.5
195.84552	0.3
197.11761	31.2
198.12131	1.6
199.13303	1.7
205.12318	0.3
209.11781	1.6
209.15427	0.6
211.13327	6.9
212.13689	0.3
221.15439	1.1
223.13425	1.1
223.16956	0.3
227.12825	2.6
233.15442	0.4
235.08180	2.5
235.17050	0.4
239.12952	0.5
242.76282	0.3
247.20663	1.6
251.16495	0.9
253.09250	21.6
254.09663	0.9
263.20108	2.3
265.18088	0.9
273.18640	1.8
275.20172	0.4
278.48398	0.2
289.18121	0.3
291.19650	33.3
291.46936	0.3
292.19995	2.7
293.21213	3.2
294.21509	0.3
307.19080	0.4
309.20691	100.0
310.21030	8.7
325.20026	1.0
327.21707	0.3
473.03674	0.3
527.28320	0.6
545.29498	2.0
601.40839	2.1
602.41241	0.3
614.97711	0.3
616.86078	0.3
619.62421	0.2
648.92310	0.3
652.79602	0.3
692.48840	0.3
837.50031	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	5.1
59.82635	0.2
60.94580	0.3
63.87363	0.2
69.03333	1.2
71.01249	4.7
71.12464	0.3
71.12796	0.5
73.02830	0.9
78.95782	0.4
83.01302	0.4
83.04915	0.8
84.02055	0.3
85.02833	1.4
87.00751	0.6
89.02309	3.5
93.06976	0.4
95.01270	0.4
95.04935	0.7
96.95886	1.9
97.02827	1.8
97.06467	0.6
99.71308	0.3
101.02316	3.6
109.06508	0.8
111.08047	10.3
113.02350	2.6
119.03386	1.2
125.09636	0.7
127.07565	1.1
135.08069	0.4
137.09602	0.8
141.09050	0.4
143.03426	0.3
145.04915	0.3
151.11232	0.9
153.09175	0.3
153.12747	1.3
161.04488	2.3
163.11206	1.0
164.30736	0.3
165.12794	1.5
167.10742	0.3
167.14377	0.4
169.12257	4.3
171.10181	2.4
179.05550	0.9
179.10730	0.5
179.14272	0.3
181.12254	1.7
183.13881	1.0
191.14362	0.4
193.12321	0.8
193.15941	0.5
197.11780	52.8
198.12080	2.9
199.13333	3.5
209.11826	1.1
209.15401	0.3
211.13354	8.2
212.13715	0.8
227.12830	2.1
235.08160	2.2
247.17163	0.4
247.20554	1.4
253.09273	22.5
254.09663	0.8
263.20160	3.2
265.18069	1.2
273.18658	1.5
277.22040	0.3
287.53073	0.3
291.19666	30.3
292.19980	2.9
293.21246	0.8
307.39951	0.3
309.20706	100.0
310.21078	7.3
324.18817	0.3
325.18454	0.6
433.21155	0.5
527.28522	0.7
545.29724	2.4
572.47815	0.3
601.41351	2.1
602.42017	0.4
774.52075	0.3
837.47644	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.8
61.98701	1.9
69.03328	0.5
71.01237	1.3
71.04889	2.4
71.72968	0.2
78.95771	0.6
78.98458	0.3
79.95598	1.9
80.02531	0.6
80.96391	5.4
81.03330	1.4
81.41176	0.2
83.04892	1.1
85.02808	0.4
87.00755	0.3
89.02336	0.4
94.97955	1.0
95.04873	1.2
96.95892	0.6
97.02801	0.6
97.06458	0.5
98.03598	0.8
101.02296	0.5
106.04124	0.5
106.97942	0.3
109.06475	8.9
110.03626	0.4
111.04409	3.4
111.08022	1.1
112.05180	0.6
119.03432	0.3
120.05721	0.3
120.76348	0.2
121.06428	0.3
122.97440	0.2
123.04363	0.3
123.08021	1.5
125.09582	0.6
127.07535	2.0
134.97467	0.4
135.08020	1.0
137.05963	0.5
137.09583	1.1
142.02574	0.3
143.10675	1.1
145.06473	1.5
147.08047	0.3
148.99020	0.6
149.05986	0.4
149.09633	1.2
151.11201	0.7
152.98552	0.4
161.09532	0.2
163.11171	1.0
164.98518	0.7
167.10690	2.1
171.10153	0.6
177.12724	0.8
179.10686	1.1
181.12242	0.5
185.11737	1.1
191.14375	1.6
195.13858	2.6
206.99580	0.3
207.10204	0.6
207.17445	0.3
209.11743	0.9
223.13446	0.4
225.00714	1.5
225.11226	0.6
227.12746	0.3
233.15364	0.3
235.13277	1.3
241.01172	0.3
245.19070	5.7
246.19431	0.3
251.16426	0.8
253.09187	1.4
261.18616	0.7
263.19955	0.4
271.17065	1.4
287.16522	1.5
289.18082	100.0
290.18417	8.4
291.19269	0.3
293.21262	3.9
307.19135	24.8
308.19473	1.5
309.20520	0.4
318.35794	0.3
529.31378	0.3
819.38495	0.9
820.37811	0.4
837.39258	4.4
838.39795	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	5.3
59.12301	0.2
69.03324	1.1
71.01251	5.2
73.02827	1.3
75.07189	0.3
80.02516	0.3
83.04900	0.7
85.02829	1.3
87.00758	1.1
89.02315	3.6
91.03885	0.3
93.06964	0.5
96.95878	1.4
97.02854	1.6
97.06491	0.7
98.19742	0.7
101.02316	4.1
107.04917	0.3
109.06455	0.6
111.08038	14.1
112.08392	0.3
113.02330	2.1
119.03389	0.9
123.08052	0.5
125.09615	0.6
127.07528	1.2
137.09613	0.7
141.09122	0.5
143.03441	0.5
145.04936	0.4
151.11189	0.9
153.09149	0.7
153.12749	1.7
161.04442	1.9
162.94199	0.3
163.11230	0.8
165.12764	1.4
167.14392	0.4
169.12248	5.9
171.10202	1.2
179.05513	0.8
179.10649	0.7
179.14403	0.3
181.12212	1.5
183.13786	0.9
193.12305	1.0
195.13797	0.3
197.11763	75.8
198.12094	2.8
199.13330	4.6
209.11783	0.7
209.15266	0.5
211.13339	10.8
212.13664	0.5
227.12808	2.2
229.14243	0.3
235.08148	2.5
247.20586	1.0
253.09268	22.1
254.09543	0.8
263.20163	3.4
265.18069	2.4
273.18573	1.8
291.19662	29.6
292.19934	2.3
293.21109	0.9
307.19153	0.4
309.20700	100.0
310.21027	8.6
325.20319	0.3
433.20688	1.0
483.18826	0.4
527.28424	1.0
545.29657	3.0
546.30054	0.4
591.34106	0.3
601.41144	1.7
602.41418	0.3
605.01166	0.4
788.34412	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
70.22047	6.6
70.25571	18.0
70.25961	13.3
78.98483	9.5
79.95615	27.0
80.96399	100.0
81.29628	7.4
82.01402	7.5
87.00760	6.9
94.97954	19.5
119.89684	6.9
134.97495	9.7
148.99063	15.9
152.98563	11.4
159.22334	9.3
164.98541	20.8
206.99606	8.8
225.00650	17.1
235.58153	8.1
837.48621	83.3
838.49011	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01243	9.3
78.98448	7.3
79.95617	13.2
80.95911	4.0
80.96394	78.2
87.00729	2.4
92.67957	2.3
94.97964	17.0
96.29869	2.6
98.19756	5.0
101.02290	3.0
106.97978	3.0
122.97493	2.9
123.44942	2.7
125.02299	4.4
126.67548	2.1
134.97473	6.0
148.99043	5.8
152.98531	5.4
164.98557	13.3
193.27451	2.2
225.00687	12.2
240.34116	2.6
269.52283	2.3
359.07251	2.3
374.80502	2.8
837.48297	100.0
838.48102	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	837.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00476	5.0
59.01255	59.5
69.03334	2.9
69.87117	3.1
69.87526	9.4
71.01254	69.3
72.17094	1.8
72.66890	2.2
72.99176	6.9
73.02827	11.5
76.00828	1.7
78.95784	6.6
83.01257	7.8
85.02824	14.0
85.99947	2.2
87.00761	18.4
89.02319	42.6
91.87292	2.1
95.01288	4.9
97.02824	7.1
99.00750	3.0
101.02329	55.8
113.02339	29.6
119.03394	10.5
125.02338	20.7
131.03403	8.0
143.03355	9.3
147.46664	2.0
152.99503	2.9
161.04436	15.0
169.34332	1.8
179.05521	13.3
181.54536	1.8
191.17171	1.9
203.05525	2.4
221.06590	7.6
235.08195	5.7
253.09314	11.5
263.07620	2.8
273.88309	2.0
277.21716	33.9
278.22070	2.5
306.43277	2.3
323.09857	4.8
379.12006	2.6
383.12061	2.8
391.22958	2.2
397.13495	57.4
398.13919	3.0
415.14600	27.0
559.18805	100.0
560.19006	6.9
577.19855	35.3
837.40845	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	837.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00453	2.4
59.01252	55.6
63.92692	1.2
69.03329	2.7
69.53357	1.3
70.92972	1.5
70.93333	3.7
71.01254	59.4
72.99167	4.0
73.02808	9.0
75.00780	2.0
78.95744	2.4
81.03329	3.0
83.01273	7.0
85.02824	14.2
87.00741	17.9
89.02318	44.2
95.01277	5.0
97.02833	5.6
99.00764	2.4
99.60466	1.4
101.02328	46.4
102.22830	1.3
113.02335	30.0
115.48374	1.2
119.03396	13.1
125.02354	18.9
126.41904	1.5
131.03403	8.6
143.03407	8.2
161.04449	15.7
162.03261	1.2
162.95157	1.2
174.86304	1.5
179.05539	14.3
179.98236	1.3
180.86577	1.6
203.05544	1.9
209.48366	1.4
217.15808	1.3
221.06595	7.4
235.08163	8.2
237.83156	1.8
253.09227	9.5
263.07639	2.2
277.21704	36.2
278.22021	4.2
305.08951	2.5
323.09781	4.4
343.38535	1.4
353.02090	1.3
379.12396	2.8
397.13519	62.8
398.13684	4.5
415.14523	23.6
424.29248	1.4
439.14307	2.3
559.18774	100.0
560.18927	8.7
577.19891	35.1
578.20166	3.4
837.41010	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	835.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00471	0.3
59.01250	5.7
59.41890	0.3
61.98688	0.7
66.55618	0.3
66.68112	0.2
69.03337	1.2
69.59254	1.3
71.00893	0.4
71.01252	5.6
71.04902	1.7
72.99160	0.4
73.02813	1.4
74.36337	0.3
74.73676	0.3
77.77746	0.2
78.95771	0.5
79.95596	0.4
80.02533	0.8
80.96387	0.6
81.03319	1.0
82.95277	1.0
83.01244	0.8
83.04882	1.0
85.02814	1.3
87.00731	0.8
89.02309	3.8
93.03304	0.3
93.06956	0.3
95.01276	0.4
95.04878	0.9
96.95888	1.4
97.02830	2.3
97.06462	0.7
98.03614	0.5
101.02322	4.7
106.04131	0.5
107.04924	0.5
109.06476	7.5
110.06781	0.3
111.04395	1.8
111.08041	6.1
113.02326	2.5
119.03357	1.2
119.08554	0.4
120.05676	0.6
121.06487	0.4
123.04413	0.3
123.08044	1.2
123.23972	0.2
125.02282	0.3
125.05942	0.4
125.09593	1.1
127.07507	1.3
133.10141	0.3
135.08064	0.6
137.05957	0.3
137.09608	1.2
141.09151	0.2
143.03412	0.4
143.10641	0.9
145.06512	1.4
149.09599	0.9
151.11165	1.0
153.09174	0.5
153.12724	0.9
161.04471	1.8
163.11177	1.3
165.12720	1.7
167.10703	1.8
169.12248	2.6
171.10178	2.6
175.11150	0.4
177.12724	0.6
179.05528	0.8
179.10672	1.0
181.12259	1.5
183.13800	0.5
185.11740	0.4
191.14346	0.6
193.12289	0.5
195.13853	2.4
197.02589	0.3
197.11765	30.3
198.12125	1.1
199.13332	1.9
207.10173	0.3
207.13863	0.3
209.11874	1.2
211.13342	5.0
212.13664	0.4
215.14409	0.4
217.15939	0.5
223.13347	0.5
225.00797	0.2
225.14848	0.3
227.12917	1.7
235.08191	3.0
235.13385	0.7
243.17557	0.4
245.19032	4.1
247.16888	0.4
247.20644	1.3
249.14984	0.4
251.16476	0.9
253.09262	16.4
254.09622	0.6
263.20175	1.3
265.14587	0.3
265.18082	0.8
271.16995	1.0
273.15063	0.6
273.18588	1.0
287.16647	2.0
289.18088	100.0
290.18463	7.6
291.19659	23.7
291.23038	0.6
292.19897	1.6
293.21283	0.6
307.19174	5.1
308.19537	0.4
309.20703	56.0
310.21036	4.1
337.82120	0.3
525.27008	2.6
526.26636	0.3
527.28461	0.4
545.29700	1.0
581.38983	0.6
817.48517	0.4
835.43274	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00468	0.8
59.01249	12.9
62.44982	0.7
69.03312	2.1
71.01255	14.3
73.02814	2.9
78.95803	1.0
80.02547	1.5
80.96387	1.4
81.03323	2.8
83.01252	3.4
83.04893	1.7
85.02819	3.9
87.00752	2.9
89.02312	8.2
94.97934	0.9
95.01263	1.4
95.04899	2.2
96.95867	3.5
97.02818	2.9
97.06454	6.5
99.00738	1.0
101.02323	9.5
106.04091	0.9
109.06496	3.3
111.08040	17.9
113.02330	4.5
113.09550	0.7
118.84613	0.7
119.03380	2.4
119.08594	1.1
121.06476	1.6
123.04421	3.1
123.08021	2.1
125.02312	0.9
125.09624	5.4
127.07618	1.4
129.01813	0.9
133.24797	0.7
135.04411	0.6
135.08060	1.6
137.05901	0.7
137.09613	3.4
138.02597	0.6
141.12814	0.6
143.03479	0.8
147.08034	0.8
149.05942	1.3
150.10432	0.7
151.11223	3.7
152.99548	1.1
153.09129	1.0
153.12755	1.8
155.10616	0.8
161.04485	4.8
161.09586	1.3
163.11198	6.2
164.08205	0.8
165.12753	4.3
167.10704	1.4
169.12257	5.9
171.10197	1.7
175.11206	1.1
177.12791	1.7
179.05548	1.0
179.10667	2.2
181.12242	5.7
183.13815	1.9
185.11737	6.9
191.10675	1.5
191.14325	9.4
193.12225	2.1
197.11760	88.9
198.12119	3.9
199.13388	5.0
207.10265	3.9
207.13744	0.8
209.11757	25.7
210.12134	1.2
211.13336	14.1
217.15901	1.9
225.11288	3.8
227.12819	6.5
235.08176	6.5
237.11278	7.0
245.19089	19.0
246.19424	1.5
247.20685	0.9
253.09247	35.0
254.09496	1.0
261.18518	0.9
263.20129	12.5
264.20499	1.1
265.18091	2.1
271.16904	3.1
273.15561	0.7
273.18628	1.9
277.21631	0.9
281.21262	1.1
289.18088	86.1
290.18509	6.3
291.19659	33.4
292.20007	3.1
293.21234	1.9
300.39282	0.7
307.19138	86.0
308.19464	7.0
309.20700	100.0
310.21017	7.5
353.21542	1.8
445.20663	3.1
525.27118	2.3
543.27826	3.7
545.29572	1.4
581.05261	0.7
599.39105	0.9
731.37421	1.0
737.40338	1.0
835.47815	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	835.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00480	1.2
59.01248	13.3
59.01530	1.0
64.09428	0.6
69.03321	3.3
69.65030	3.9
71.01250	13.6
71.04888	1.1
72.99183	1.4
73.02837	1.9
80.02536	0.9
80.96423	1.2
80.97050	0.6
81.03355	1.8
83.01249	4.4
83.04934	1.8
85.02813	4.4
87.00764	2.6
89.02309	7.9
93.03336	0.7
94.97993	0.8
95.01259	1.3
95.04927	2.4
95.75616	0.6
96.95908	2.4
97.02827	5.3
97.06468	5.8
101.02320	11.3
109.06504	2.5
110.03609	1.0
111.00812	1.3
111.04439	0.7
111.08035	15.1
111.56365	0.7
113.02339	4.9
119.03409	1.3
121.06503	1.7
123.04395	3.1
123.08071	2.1
125.05992	1.4
125.09610	6.8
127.07569	1.4
135.08075	1.8
137.05925	0.8
137.09615	5.0
139.11148	0.7
139.30315	0.7
141.12741	1.0
143.03410	0.9
143.37709	0.6
145.04955	1.7
149.09639	0.7
151.11208	1.8
152.99455	1.0
153.09169	1.2
153.12766	2.2
157.24455	0.6
161.04486	4.1
161.09621	1.3
163.11185	8.8
163.12465	0.8
165.09064	0.9
165.12753	3.6
167.10696	1.3
167.87605	0.7
169.12231	8.4
169.82291	0.6
171.10204	3.8
174.88376	0.7
177.12758	1.5
179.05499	1.7
179.10721	1.7
181.12277	2.7
183.13852	1.4
185.11739	8.5
189.12709	0.7
191.10728	1.0
191.14304	11.1
193.12285	1.7
195.13919	1.3
197.11755	79.7
198.12080	3.2
199.13341	4.2
201.11357	0.7
203.14381	1.1
206.31622	0.6
207.10205	5.1
209.11757	24.1
210.12045	1.4
211.13348	13.2
223.13275	1.0
225.11278	4.0
227.12814	3.6
235.08151	6.6
237.11270	7.5
239.85138	0.6
243.17494	0.7
245.19064	20.7
246.19397	1.7
247.13371	1.5
247.17104	0.9
247.20621	2.2
253.09244	33.4
254.09541	0.9
255.23337	0.9
260.59836	0.6
261.18585	0.8
263.20132	8.9
265.14783	1.0
265.18021	3.3
271.16953	2.9
273.18567	1.3
281.21201	1.3
287.16495	1.0
289.18076	100.0
290.18417	6.1
291.19638	35.6
292.19897	3.1
293.21176	4.9
305.17432	1.0
307.19128	87.2
308.19476	6.9
309.20685	90.0
310.21075	6.3
327.21597	0.8
332.82040	0.6
337.77982	0.6
353.21384	2.3
359.52548	0.7
397.13733	0.8
525.27020	1.7
527.28149	0.8
543.28076	2.2
545.29346	1.2
685.86224	0.6
764.33685	0.7
835.47137	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	835.4842
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00457	1.7
59.01249	9.7
61.98705	1.6
62.40470	1.0
64.65522	0.9
69.03328	2.0
70.10628	3.0
71.01249	11.5
73.02824	3.8
73.11706	1.0
74.48198	0.9
78.95754	5.6
79.95592	1.4
80.96391	3.3
81.03330	2.1
83.01269	3.0
83.04902	2.3
85.02832	3.6
87.00756	2.7
89.02325	6.3
93.63616	0.8
94.97982	1.1
95.01279	1.1
95.04916	2.4
96.95882	7.6
97.02821	6.1
97.06470	4.3
98.05074	0.9
98.95465	1.6
101.02323	9.6
109.06487	2.7
110.98391	1.6
111.08056	11.2
113.02308	4.8
119.03423	1.8
119.08562	0.9
121.06498	1.8
123.04399	2.7
123.08009	1.5
125.09571	5.2
127.07579	1.6
135.07950	1.0
137.06013	1.2
137.09619	5.8
141.12724	1.1
143.03383	1.5
143.10722	1.0
151.11171	1.9
152.99435	1.9
153.09088	1.0
153.12761	1.7
161.04491	3.4
163.11197	7.6
165.12759	3.6
167.10742	1.6
169.12262	4.6
171.10179	4.5
175.11263	1.8
179.10747	1.8
181.12238	3.8
183.01054	1.0
183.13817	3.1
185.11786	6.0
191.10741	1.1
191.14349	8.4
193.12236	2.1
195.13797	1.6
197.00972	1.0
197.02701	3.5
197.11766	53.6
198.12135	2.1
199.13345	4.4
207.10161	3.4
209.11760	20.9
211.13338	12.6
212.13635	1.2
225.11214	3.1
227.12866	2.6
235.08223	5.7
237.11299	5.8
245.19041	14.3
246.19498	1.3
247.20628	1.3
253.09268	27.7
254.09619	1.4
263.20236	7.2
265.18027	1.6
271.17056	2.8
273.18600	2.4
277.21725	2.5
289.18082	78.1
290.18402	6.6
291.19656	30.4
292.19949	3.4
293.21274	2.1
307.19138	74.5
308.19409	5.8
309.20694	100.0
310.20984	6.5
325.18555	2.6
339.19894	10.5
340.20331	6.1
356.20850	1.1
445.20651	1.5
500.98184	1.0
525.27130	2.3
543.28412	2.3
545.29730	2.1
835.43427	4.5
836.42902	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	835.417
Annotation	Microtoenin B
Peak:m/z	Relative Intensity
59.01241	4.0
61.98706	22.3
63.96095	1.8
71.01254	12.8
71.43964	1.0
72.99161	1.4
73.02818	2.7
78.91756	2.2
78.95767	1.8
78.98466	10.0
79.95603	31.8
80.91541	2.8
80.96390	87.3
85.02805	4.5
87.00755	4.1
89.02294	2.2
94.97961	18.9
96.95905	5.9
97.02831	3.1
101.02297	3.6
106.97996	5.4
113.02321	1.3
116.92722	2.8
122.97444	5.1
125.02309	3.5
134.97495	6.8
136.99071	1.7
148.99045	8.4
152.98514	7.6
161.04390	1.8
164.98537	15.1
171.10194	2.0
197.11775	2.6
206.99661	3.9
207.10123	1.8
209.11794	7.7
211.13278	2.8
225.00674	28.1
225.11282	2.0
227.12791	2.7
229.37590	1.5
238.70529	1.2
247.09535	3.9
253.09079	1.7
265.35428	1.1
283.05026	2.0
289.18027	2.7
291.19608	1.6
293.21338	1.4
307.19156	1.4
309.20752	4.5
341.05499	1.9
397.13330	1.3
541.18994	2.6
770.27527	1.5
835.41461	100.0
836.41602	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00459	1.5
59.01250	23.3
60.60975	1.0
61.98703	45.8
68.30891	1.1
69.03337	2.1
70.48186	1.0
71.01254	100.0
71.04858	1.0
72.01610	1.1
72.99184	2.6
73.02822	6.9
75.00774	1.5
78.91777	1.4
78.95780	2.9
78.98478	2.5
79.95609	9.7
80.96388	22.8
81.03334	2.1
83.01260	2.0
83.04891	4.6
85.02827	8.2
87.00737	4.7
89.02319	18.1
93.03324	1.4
94.97949	3.8
95.01255	1.8
95.04912	1.2
96.95898	7.1
97.02832	6.4
97.06463	1.2
97.14354	1.1
99.00748	4.4
101.02320	17.1
109.02843	1.3
109.06477	8.8
110.03667	1.4
111.00757	1.7
113.02332	8.6
116.92691	1.9
119.03414	3.4
122.97404	1.3
122.98654	1.3
125.02325	9.1
125.09597	2.0
127.03930	1.2
127.11169	1.5
134.97459	1.5
137.09602	1.2
141.01897	1.5
143.03447	2.6
148.99084	1.9
155.10704	1.6
161.04462	3.8
163.11165	8.8
164.98560	2.7
165.12674	1.6
167.10725	1.5
171.10188	18.3
179.05527	5.1
179.10605	1.2
181.12247	4.8
183.13814	4.2
185.11748	3.8
193.12297	2.2
197.11685	2.2
199.13304	12.3
201.09775	1.3
201.11288	13.4
206.99625	1.4
207.10202	22.3
208.10480	1.3
209.11769	44.9
209.13773	2.4
210.12012	2.5
211.13342	42.7
212.13680	3.1
215.12917	1.1
221.06628	2.3
225.00641	6.4
225.11278	29.4
226.11749	1.5
227.12852	23.2
229.14404	1.3
229.89037	1.3
235.08142	3.4
243.12312	4.5
245.13680	1.3
247.13283	1.4
253.09233	2.8
289.18033	3.3
291.19641	3.8
292.56711	1.3
293.21140	1.2
309.20648	10.7
323.09860	1.2
327.21823	1.7
379.12375	2.2
392.94342	1.2
397.13525	25.8
398.13873	1.3
401.23416	2.3
415.14740	8.6
419.24295	2.6
437.24942	1.5
577.00964	1.2
607.26196	2.3
609.26904	2.2
623.25488	3.9
799.38263	3.4
817.38330	15.2
818.38324	3.1
835.38660	28.9
836.39886	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	835.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00463	0.6
59.01251	9.3
69.03323	0.8
69.67086	0.2
71.01251	8.6
71.04882	0.3
71.56931	0.3
72.99182	0.7
73.02815	1.5
75.00732	0.2
80.02538	1.4
81.02955	0.2
81.03340	1.8
83.01267	1.0
83.04891	5.5
84.02032	0.9
85.02823	2.1
86.80712	0.2
87.00744	1.6
89.02314	8.0
90.02653	0.2
93.03342	0.4
95.01244	0.5
95.04890	0.7
96.95878	1.8
97.02835	1.3
97.06458	0.3
99.00753	0.5
101.02316	6.5
102.02677	0.2
106.15524	0.2
109.02824	0.3
109.06456	0.4
111.00793	0.3
113.02334	3.9
119.03384	1.9
125.02330	2.9
125.05965	0.6
125.09576	0.2
131.03416	0.4
133.04982	0.3
135.08028	0.9
139.03920	0.4
141.01883	0.3
143.03448	1.1
147.11664	0.2
149.04491	0.3
149.09608	0.2
161.04471	1.6
163.11186	4.4
163.82291	0.2
164.11513	0.2
165.12776	2.4
171.10181	1.4
179.05522	2.1
181.12219	1.1
185.11806	0.2
191.01740	0.2
191.10716	1.2
199.06053	0.2
199.13263	0.7
207.10246	0.3
209.11765	100.0
210.12093	6.4
211.13251	0.6
217.07034	0.3
221.06662	0.8
225.11316	0.4
227.12825	15.2
228.13205	0.8
229.14569	0.3
235.08171	2.4
247.13383	0.9
251.12881	0.2
253.09232	0.6
263.07663	0.3
265.14377	0.2
287.07730	0.8
305.08801	0.7
323.09818	0.6
337.78314	0.2
379.12454	2.5
389.18564	0.2
397.13477	19.1
398.13782	1.7
415.14584	5.8
416.14764	0.4
419.24289	0.5
518.96442	0.2
589.25049	0.4
607.25793	1.1
658.05945	0.2
799.37592	0.6
817.38763	0.5
835.38995	0.9
857.80981	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00452	2.6
59.01251	27.5
60.93239	1.0
61.98701	64.5
67.34589	1.0
69.03335	3.4
71.01251	100.0
72.99179	3.7
73.02802	3.9
78.91759	1.5
78.95784	2.7
78.98469	1.8
79.95608	6.0
80.02544	1.2
80.96389	19.1
81.03320	2.5
83.01247	2.9
83.04909	3.6
85.02817	8.5
87.00738	6.3
89.02314	20.3
94.97967	4.8
95.01280	1.8
95.04900	1.7
96.95908	7.1
97.02834	8.1
97.06513	1.6
99.00748	4.6
101.02318	21.3
106.97948	1.1
109.06469	8.1
111.00798	1.5
111.07944	1.2
113.02324	11.7
119.03414	4.3
119.08531	1.7
121.06450	1.2
122.97448	1.7
125.02342	6.6
125.09630	3.2
135.08038	2.6
139.87471	1.2
141.01837	2.1
143.03423	3.6
155.10735	1.4
161.04457	4.3
161.09595	1.3
163.11185	9.3
164.98549	3.7
165.12743	3.1
169.12155	1.6
171.10175	14.9
179.04060	1.1
179.05510	5.1
181.12225	4.8
183.13850	6.8
185.11711	3.3
193.12169	1.9
197.11700	1.7
199.09718	1.2
199.13339	12.9
201.11205	9.9
207.10197	25.4
209.11768	48.1
210.12112	3.0
211.13327	61.1
212.13670	3.3
221.06630	3.4
225.00665	5.3
225.11259	23.6
226.11641	1.6
227.12843	36.9
229.14453	2.2
235.08238	6.6
243.12436	1.5
247.13315	2.0
253.09215	3.6
263.07700	1.4
289.18146	4.5
309.20685	6.0
316.82202	1.3
327.21732	1.6
360.08643	1.5
379.12283	2.7
397.13477	31.9
398.13986	1.5
401.23248	3.3
415.14496	7.3
419.24442	3.2
477.11362	1.3
605.24402	2.7
607.25824	2.2
609.27521	1.5
623.25421	2.8
625.26727	3.8
799.37250	6.3
817.37927	16.0
818.38525	3.8
835.38788	30.1
836.39038	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	833.468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	5.5
69.09789	0.5
71.01246	4.2
71.04902	1.2
71.57804	0.9
73.00967	0.6
73.02827	0.8
75.00742	0.7
78.95793	1.4
80.02531	0.8
80.96394	1.6
81.03335	1.9
82.95296	1.2
83.01241	1.6
83.04908	1.2
85.02823	1.1
87.00730	0.8
89.02331	2.0
93.03345	0.8
95.04899	1.9
97.02792	0.8
97.06461	1.8
99.00752	0.7
101.02325	4.1
106.04158	0.9
109.06480	7.6
111.04400	2.3
111.08064	0.8
113.02310	2.1
119.03384	0.9
123.04428	1.3
123.08096	1.5
125.09611	2.3
127.07594	0.7
135.08002	0.9
135.35738	0.8
136.22174	0.6
137.09637	1.6
145.05089	0.7
145.06464	1.5
149.06024	0.7
149.09656	0.8
151.11212	0.8
152.99463	1.3
161.04480	1.6
163.11171	2.4
167.10655	1.2
171.10197	2.0
177.12753	0.7
179.10704	0.8
181.12241	0.7
183.01094	1.1
185.11780	2.6
191.14259	2.8
195.13812	1.9
197.02704	1.2
197.12012	0.6
207.10249	1.4
209.11778	8.6
225.11333	1.7
235.08142	2.2
237.11317	0.9
237.14957	1.4
245.19081	8.4
253.09303	9.3
263.20175	1.2
271.17111	2.0
279.23227	2.3
287.16425	1.9
289.18085	100.0
290.18442	6.9
291.19873	0.7
295.22644	1.0
305.17493	1.0
307.19138	25.6
308.19418	2.2
309.20779	1.1
315.26602	0.6
325.18384	6.5
326.18631	1.2
481.29468	0.8
499.30771	1.0
507.27380	1.8
525.27454	0.8
597.37744	1.9
615.38354	1.0
696.93231	0.7
717.39014	0.8
815.44720	1.0
833.47491	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	11.0
64.66422	3.5
69.31061	31.9
69.31465	9.4
71.01265	4.3
82.02853	11.1
85.02817	27.9
87.00764	4.4
93.03339	20.7
93.68426	3.7
94.02856	95.9
96.04420	14.8
96.95891	12.9
98.39874	3.8
107.03694	4.5
108.02036	18.9
108.04436	9.1
109.02840	38.0
110.02287	4.6
110.06017	9.6
114.97019	4.3
120.04472	4.0
120.07293	7.5
120.08079	81.7
121.02778	5.4
122.05993	35.1
122.52032	3.7
124.01520	8.7
125.02320	35.1
132.04449	6.6
134.06058	5.7
135.04385	12.4
136.03911	9.8
137.02345	47.7
138.05490	53.1
140.07088	7.9
150.05518	12.1
152.05927	7.6
152.07066	78.8
153.07408	5.5
158.02394	9.9
164.03493	5.1
164.07063	16.2
165.05438	5.1
168.06560	68.2
169.06767	4.7
176.03496	6.2
190.05000	51.1
191.01871	14.2
195.34973	4.0
209.03017	8.9
212.01080	4.3
217.13329	3.8
223.08672	5.5
226.08730	6.7
226.12389	36.3
229.13438	9.6
239.11853	5.0
240.10294	13.5
242.11810	19.3
244.14621	17.7
258.11362	6.1
261.12396	15.4
265.09732	7.6
266.10629	4.7
270.11307	9.9
271.14499	13.4
279.11337	15.0
286.10809	14.6
293.09238	5.2
302.10300	6.1
303.13400	12.0
323.10437	7.9
325.11853	6.0
339.09650	5.5
340.10638	7.3
341.11615	7.5
343.12759	6.7
355.12976	100.0
356.13516	10.4
367.16858	7.0
371.12466	15.6
381.14371	10.6
383.16403	4.9
423.15768	5.2
425.17139	8.0
441.16769	11.1
442.16913	6.6
443.18250	5.4
444.19144	8.6
465.21066	6.6
488.18106	7.6
489.18655	5.3
520.20880	26.8
521.20966	6.1
585.23260	8.6
617.25562	7.6
627.24512	10.1
645.25616	28.2
659.26459	6.1
677.28003	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	831.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	4.2
62.96271	2.8
64.80646	2.3
71.56353	2.1
71.56816	3.8
77.25826	2.5
78.95780	100.0
79.98221	2.4
83.56995	2.5
96.96841	22.3
136.48105	2.7
152.99504	32.5
174.98982	2.7
223.00041	10.4
241.01134	45.1
255.20709	4.2
255.23273	68.8
256.23663	4.9
259.02161	3.2
277.21692	43.7
290.09131	3.2
297.03430	2.7
315.51971	2.9
364.62677	3.0
390.61682	3.0
391.22626	7.8
455.26315	2.7
553.27496	10.2
595.89795	3.0
782.90533	2.8
831.50281	87.6
832.50116	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	831.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95625	0.4
59.01245	2.2
62.96280	0.7
71.01227	0.4
71.20741	0.8
78.95780	85.1
87.99235	0.3
96.96847	20.1
101.50845	0.4
134.98462	1.2
152.99496	26.3
182.07866	0.4
192.95847	0.7
204.99008	0.5
217.00255	1.5
223.00087	9.7
241.01163	40.1
242.01454	1.1
255.23283	76.8
256.23648	4.6
259.02182	3.0
259.20724	0.5
275.20157	0.6
277.21729	44.6
278.22064	3.5
297.03769	2.8
315.04764	1.3
337.87042	0.4
391.22589	12.7
392.22937	0.8
409.23480	1.2
413.21252	1.9
522.57343	0.4
553.27856	8.5
554.27948	1.1
559.91724	0.4
571.28687	1.3
575.26062	1.6
669.45148	1.6
831.50311	100.0
832.50616	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	831.5021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	3.7
71.01241	2.9
71.56662	1.1
78.95774	78.5
78.98458	2.5
79.95605	12.6
80.96390	29.3
87.00758	1.2
94.97957	5.0
96.96840	16.5
97.02825	1.3
101.02248	1.2
106.34470	0.9
106.97970	1.6
122.97491	2.5
134.97455	2.0
134.98405	1.2
148.99037	2.2
152.98479	2.0
152.99510	16.6
161.24474	0.9
164.98524	3.7
168.22478	1.1
181.32431	1.2
192.95753	4.1
217.00282	4.0
223.00026	6.8
225.00620	4.9
241.01158	29.1
255.23289	50.5
256.23599	4.2
259.02228	2.5
277.21707	30.5
278.22058	2.5
279.54016	1.1
280.66971	1.0
297.03784	3.0
350.94830	2.1
374.99335	2.0
391.22528	7.6
409.23190	1.2
553.27875	5.9
575.26294	1.7
831.50012	100.0
832.50293	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	0.5
63.96113	1.4
63.98022	0.4
67.57362	0.5
69.03320	1.1
70.08598	2.1
71.01254	8.9
73.02805	2.2
78.98466	7.4
79.95606	35.3
80.96390	86.4
81.03329	1.2
83.01305	0.5
85.02818	3.9
87.00736	2.9
93.73572	0.5
93.97115	0.5
94.97958	18.9
94.98565	1.2
96.95895	1.7
97.02827	1.8
101.02312	3.1
106.97958	4.2
122.97475	5.3
125.02344	3.5
127.03864	1.2
129.33655	0.6
134.97469	6.2
136.99026	1.8
140.34908	0.5
146.97508	0.5
148.99042	7.6
152.98537	7.2
161.04521	1.1
161.70981	0.5
164.98553	14.3
164.99968	0.8
167.00122	0.7
179.00165	0.8
179.42931	0.5
188.74387	0.5
206.99625	4.8
225.00702	24.8
226.00879	1.0
241.00122	1.2
255.23251	1.4
283.04742	2.5
341.05579	1.7
355.07104	1.6
502.63220	0.7
537.27191	2.6
575.25049	1.5
581.32013	0.5
609.29443	0.9
623.30719	1.1
627.13831	0.5
637.32709	1.2
651.34515	0.6
733.41614	1.0
758.47717	0.6
831.49323	100.0
832.49609	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
69.71217	12.6
71.01253	8.6
73.21056	1.7
78.98466	7.7
79.95602	41.0
80.95901	4.5
80.96387	89.3
85.02854	3.8
87.00752	2.8
88.19477	1.8
94.97961	22.4
96.95890	2.7
97.02854	1.8
101.02327	2.0
106.97941	3.1
122.97449	6.9
125.02317	5.5
134.97476	7.6
136.99019	3.0
148.99034	11.7
152.98558	11.4
164.98544	17.1
183.79659	2.1
206.99620	5.8
225.00699	31.3
253.44427	2.0
255.23343	3.9
273.04440	2.3
283.04932	4.2
341.05472	2.5
372.61801	2.1
537.27600	4.0
795.83063	2.4
831.49280	100.0
832.49438	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	1.0
63.96100	1.5
68.73489	0.5
69.03321	1.2
71.00889	0.8
71.01254	10.7
71.02772	0.8
71.03115	0.8
73.02811	2.0
78.98458	8.6
79.95602	39.2
80.96387	100.0
81.03326	1.1
83.01272	0.6
85.02831	3.8
87.00765	3.1
90.29898	0.5
94.97961	23.7
95.01283	0.8
96.95886	1.5
97.02816	1.9
99.00755	1.0
101.02333	3.5
106.97982	4.8
113.02320	0.8
122.97464	5.3
125.02341	4.9
127.03913	0.7
128.87755	0.5
134.97467	6.1
136.99043	3.0
147.31660	0.4
148.99051	8.3
151.97690	0.5
152.98537	8.3
161.04391	0.6
164.98538	18.2
167.00125	0.7
169.56374	0.6
179.00064	1.1
188.98578	0.7
206.99582	5.3
225.00694	26.3
226.00998	0.8
234.11687	0.5
235.41580	0.5
241.00165	1.1
255.23248	2.2
283.04907	3.6
341.05295	2.1
355.06937	1.6
411.13089	0.6
537.27698	2.4
575.25366	1.2
609.29401	1.4
623.30872	0.9
637.31744	1.1
693.38397	0.6
761.40991	0.7
831.49274	68.0
832.49670	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.5557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.5
59.72816	0.2
60.57406	0.2
62.13018	0.2
65.62991	0.2
69.03319	0.6
69.72832	0.6
69.73244	1.0
78.34750	0.2
78.95772	2.1
81.03345	0.5
83.04901	3.3
85.06473	1.6
93.94618	0.2
97.43854	0.2
98.19823	0.2
99.08036	0.7
101.38961	0.2
102.39846	0.2
109.06473	0.6
111.04398	2.8
111.08055	0.9
112.35432	0.2
113.44461	0.2
125.05991	0.3
125.71687	0.2
127.07546	6.2
128.07899	0.3
129.05476	16.3
130.05789	0.3
141.12729	0.5
143.07057	1.4
152.99471	0.7
155.07034	1.8
167.14331	1.3
168.04196	0.3
172.96399	0.2
181.15906	0.6
183.17511	1.5
233.22690	0.3
242.07922	0.4
259.21182	0.2
271.56430	0.2
277.21722	17.5
278.22070	1.7
293.21182	0.7
295.22760	3.1
311.22174	0.4
312.22653	0.4
313.23846	100.0
314.24194	7.1
407.23883	0.2
488.64322	0.3
502.29431	8.7
503.29733	1.0
831.49524	0.7
837.15228	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4593
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00463	0.8
59.01250	17.2
63.41040	0.1
67.01744	0.2
68.99690	0.2
69.03326	1.0
71.01254	16.8
71.56579	0.2
71.56950	0.2
72.01585	0.2
72.99181	1.3
73.02823	2.7
75.00746	0.4
78.95765	0.5
80.96370	0.3
81.03333	0.9
83.01260	2.1
83.04868	0.2
85.02389	0.1
85.02822	4.4
87.00752	4.9
87.04338	0.2
88.98680	0.3
89.02317	11.8
91.03905	0.3
93.03337	0.3
95.01270	1.3
97.02827	2.7
97.06455	0.2
99.00764	1.2
99.04396	0.2
99.08015	0.2
101.02324	12.0
103.00215	0.2
103.03891	0.2
109.02804	0.4
111.00794	0.3
111.04393	0.5
113.02332	7.5
113.65881	0.1
115.03897	0.5
119.03394	3.1
121.02850	0.2
123.00758	0.2
123.04464	0.3
124.01542	0.3
125.02340	6.8
125.09607	1.2
127.03934	0.3
127.11171	2.4
129.01770	0.2
131.03400	0.5
133.04938	0.4
133.07991	0.2
137.02316	0.2
139.00308	0.1
139.03908	0.5
139.31685	0.2
141.01851	0.3
142.02557	0.1
143.03397	2.8
145.04964	0.2
149.04489	0.4
152.99527	0.3
153.09068	0.6
161.04477	3.4
166.48347	0.2
167.03400	0.5
167.10652	0.2
171.10184	100.0
172.10510	3.6
179.03340	0.2
179.05522	3.2
183.01088	0.2
185.11754	0.4
199.06046	0.7
207.10255	0.2
209.11754	0.2
213.11208	0.7
217.07132	1.2
221.06622	1.3
225.11298	0.6
230.64571	0.2
235.08192	4.9
236.08490	0.3
245.06671	0.4
253.09241	1.3
259.08194	0.6
259.20737	0.2
263.07690	0.5
269.06757	0.2
277.21719	54.7
278.22055	3.8
287.07745	1.6
290.32776	0.2
291.23099	0.2
301.09204	0.3
305.08826	1.8
323.09784	0.7
325.18295	0.6
361.11560	0.2
379.12433	8.9
379.43613	0.2
380.12640	0.4
397.13501	32.4
398.13773	2.0
415.14584	7.1
416.14893	0.5
461.20438	0.4
481.25818	0.4
551.23529	1.0
569.24200	1.3
675.35541	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00475	1.1
59.01252	16.2
59.59397	0.2
60.99179	0.2
61.98690	0.2
68.99712	0.3
69.03320	1.1
70.98327	0.2
71.01254	16.3
71.56919	0.3
72.01614	0.2
72.99178	1.8
73.02825	2.7
75.00735	0.3
76.29807	0.1
78.95783	0.3
80.96397	0.2
81.03323	1.1
83.01260	2.1
83.04885	0.2
85.02825	4.5
87.00751	4.9
87.04351	0.2
88.98684	0.6
89.02321	13.5
90.02669	0.2
91.03893	0.2
93.03320	0.2
95.01285	1.1
97.02823	2.7
99.00756	1.0
99.08017	0.2
101.02324	13.7
102.04092	0.2
105.01815	0.2
106.82257	0.2
109.02849	0.3
111.00729	0.3
111.04398	0.6
113.02332	7.4
115.03902	0.5
119.03383	3.9
121.02821	0.4
123.00793	0.3
123.08065	0.2
124.01596	0.3
125.02339	7.3
125.09630	0.9
127.03942	0.3
127.11196	1.9
129.01822	0.3
131.03387	0.7
133.04950	0.6
137.05948	0.2
139.03920	0.7
141.01871	0.3
143.03413	2.4
145.04974	0.3
153.09103	0.3
161.04457	3.6
167.03429	0.6
169.04930	0.2
171.10184	100.0
172.10524	4.0
179.05534	3.4
185.04442	0.2
199.06061	0.7
203.05667	0.2
209.11858	0.2
213.11363	0.4
217.07132	1.1
221.06612	1.3
233.22731	0.3
235.08174	5.5
245.06641	0.5
253.09195	1.3
259.08176	0.8
259.20819	0.2
263.07742	0.3
275.20157	0.3
277.21719	64.7
278.22064	5.0
287.07748	2.2
291.23352	0.4
297.43158	0.2
301.21695	0.2
305.08817	2.0
319.22766	0.3
323.09921	0.7
325.18494	0.6
326.18259	0.2
361.11453	0.3
379.12457	8.7
380.12720	0.6
397.13507	34.9
398.13782	2.4
415.14554	8.0
416.15030	0.6
551.23389	0.9
569.24066	0.6
675.35779	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	5.3
71.01262	2.9
71.57636	1.4
73.02824	1.9
78.95783	3.5
82.02857	3.6
85.02810	3.7
93.03329	6.3
94.02864	31.0
94.06509	4.3
96.95872	4.3
101.02319	2.2
107.03635	4.5
108.04419	1.6
109.02824	2.0
109.55032	1.3
120.08085	3.1
122.05996	44.3
123.06377	1.8
133.04922	2.0
134.06021	5.6
137.02382	1.4
137.03432	1.5
138.05525	8.9
139.02664	2.5
150.05504	1.9
152.07074	78.3
153.07382	3.2
154.06100	2.6
158.02414	1.3
158.41269	1.2
164.07219	1.4
166.04979	1.4
176.03517	1.2
188.07082	2.4
211.08888	1.6
223.08701	5.2
225.07733	1.7
225.10107	1.5
237.06680	1.7
237.10277	4.1
239.11862	5.1
240.10263	1.6
249.10260	1.5
250.07465	3.0
251.08121	4.0
251.11862	1.9
253.09819	2.5
255.07631	3.1
263.08252	3.2
264.08948	2.0
265.09814	28.0
267.07831	2.1
267.11459	3.9
267.81467	1.6
277.09726	5.0
278.06854	1.8
279.07617	1.3
283.10855	6.0
293.09396	7.6
294.10001	4.7
295.10846	1.8
297.09155	2.3
297.12366	10.5
305.09274	2.8
306.10162	2.4
307.11093	1.7
309.08878	2.2
325.11893	3.4
328.10693	2.8
337.12115	1.8
338.71985	1.3
355.13126	1.7
369.11166	2.1
389.13605	1.3
402.14041	2.1
402.18625	2.6
404.19955	1.5
429.16855	2.1
430.17917	17.6
431.18106	3.7
441.16705	2.5
448.18698	2.6
458.17249	10.3
459.17941	5.8
462.20316	3.0
475.17599	1.5
490.19577	3.2
502.16125	6.4
503.16885	7.1
506.18991	2.6
534.18799	65.6
535.19055	12.3
628.23041	19.1
629.23285	3.7
631.24103	5.4
659.23608	3.5
663.25708	1.5
673.24670	5.0
691.26105	100.0
692.26550	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	829.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	5.3
71.01262	2.9
71.57636	1.4
73.02824	1.9
78.95783	3.5
82.02857	3.6
85.02810	3.7
93.03329	6.3
94.02864	31.0
94.06509	4.3
96.95872	4.3
101.02319	2.2
107.03635	4.5
108.04419	1.6
109.02824	2.0
109.55032	1.3
120.08085	3.1
122.05996	44.3
123.06377	1.8
133.04922	2.0
134.06021	5.6
137.02382	1.4
137.03432	1.5
138.05525	8.9
139.02664	2.5
150.05504	1.9
152.07074	78.3
153.07382	3.2
154.06100	2.6
158.02414	1.3
158.41269	1.2
164.07219	1.4
166.04979	1.4
176.03517	1.2
188.07082	2.4
211.08888	1.6
223.08701	5.2
225.07733	1.7
225.10107	1.5
237.06680	1.7
237.10277	4.1
239.11862	5.1
240.10263	1.6
249.10260	1.5
250.07465	3.0
251.08121	4.0
251.11862	1.9
253.09819	2.5
255.07631	3.1
263.08252	3.2
264.08948	2.0
265.09814	28.0
267.07831	2.1
267.11459	3.9
267.81467	1.6
277.09726	5.0
278.06854	1.8
279.07617	1.3
283.10855	6.0
293.09396	7.6
294.10001	4.7
295.10846	1.8
297.09155	2.3
297.12366	10.5
305.09274	2.8
306.10162	2.4
307.11093	1.7
309.08878	2.2
325.11893	3.4
328.10693	2.8
337.12115	1.8
338.71985	1.3
355.13126	1.7
369.11166	2.1
389.13605	1.3
402.14041	2.1
402.18625	2.6
404.19955	1.5
429.16855	2.1
430.17917	17.6
431.18106	3.7
441.16705	2.5
448.18698	2.6
458.17249	10.3
459.17941	5.8
462.20316	3.0
475.17599	1.5
490.19577	3.2
502.16125	6.4
503.16885	7.1
506.18991	2.6
534.18799	65.6
535.19055	12.3
628.23041	19.1
629.23285	3.7
631.24103	5.4
659.23608	3.5
663.25708	1.5
673.24670	5.0
691.26105	100.0
692.26550	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	829.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78687	0.8
58.00444	0.7
59.01249	100.0
69.03313	1.5
71.01251	43.8
71.57693	0.9
72.99174	2.6
73.02818	37.7
75.00738	1.3
83.01247	13.6
85.02817	8.6
87.00743	1.2
89.02317	12.0
90.73000	0.8
91.25424	0.7
93.03339	1.3
95.01265	1.6
96.95902	2.9
97.02842	1.2
101.02318	43.8
110.25238	0.7
113.02332	15.0
119.03386	6.2
122.94714	0.7
125.02336	2.8
131.03387	3.8
133.04948	1.6
143.03404	4.8
149.04448	8.0
152.07089	0.9
154.06123	2.2
155.03368	1.0
161.04460	15.8
179.05540	2.2
203.05548	1.4
221.06654	4.4
224.71155	1.0
249.09207	1.5
266.81934	0.7
281.04535	0.8
329.13641	0.8
429.15424	2.1
441.15594	2.7
448.18933	1.1
586.15601	1.0
591.52539	0.9
680.19604	3.4
703.36316	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.53
Annotation	Unknow
Peak:m/z	Relative Intensity
66.82762	0.7
70.87367	1.4
70.87710	1.7
73.57856	0.8
78.95779	67.4
96.96848	6.6
150.97900	1.4
152.99500	100.0
153.99815	1.3
171.00539	2.9
251.02795	1.0
255.23328	2.5
261.45898	0.8
392.43927	0.9
409.23599	57.4
410.24011	4.8
650.00079	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	4.8
65.00193	1.0
69.03326	0.7
71.01259	6.2
72.99193	1.1
73.02815	4.8
81.84387	0.5
85.02811	3.0
85.99968	1.0
87.00750	4.9
87.04408	2.2
89.02286	0.9
93.03333	12.6
96.95901	2.3
98.20556	1.3
101.02353	2.2
113.02345	1.1
115.03892	0.8
124.32640	0.6
125.00567	1.0
125.02341	2.4
129.62743	0.6
131.03351	3.2
143.03401	2.5
145.02881	1.0
145.06517	0.7
147.04483	1.3
150.43106	0.5
150.98503	1.8
151.00273	1.6
153.00061	2.6
163.00238	4.0
165.00064	2.6
165.01874	0.6
169.06480	1.3
171.04437	7.2
178.98019	6.3
179.98792	9.0
180.99576	5.2
195.06584	0.5
204.99527	0.7
206.97542	3.0
211.03995	1.2
213.05510	2.2
228.04169	0.8
229.05157	0.9
231.01138	2.0
231.06482	1.5
243.01158	0.9
255.02946	1.7
255.91849	0.6
257.04535	13.2
258.04974	1.1
259.00708	6.0
269.04547	1.2
271.00681	1.7
283.00464	2.7
285.04010	1.9
287.00092	1.3
299.00143	4.6
313.98886	2.0
314.99689	7.7
315.03229	0.9
325.98972	0.5
326.99673	86.1
328.00067	8.0
377.06277	0.7
387.05798	0.9
393.04486	1.0
406.06793	1.6
419.02350	1.4
420.03119	2.7
421.03876	58.4
422.04105	6.0
439.04865	7.5
440.05005	0.9
578.28174	0.7
579.21655	1.0
747.16003	100.0
748.16284	17.4
827.11615	7.9
828.12408	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	826.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	3.4
61.98703	0.5
70.22982	0.7
70.23376	0.9
71.01255	3.2
73.02811	0.8
75.00767	0.4
80.02523	0.5
81.03311	0.7
83.01247	0.8
83.04889	2.6
84.04408	3.4
85.02827	1.3
87.00737	1.4
89.02309	2.2
95.04917	0.4
96.95895	1.8
98.19982	0.6
101.02325	3.3
102.05481	63.2
103.05836	1.1
110.30424	0.4
113.02321	2.0
119.03352	0.5
125.05969	0.5
125.09599	0.9
135.08083	0.4
145.04942	0.5
161.04469	1.4
163.11186	1.4
164.10677	1.2
165.12747	1.1
171.10133	0.4
179.03012	0.4
179.05638	0.4
180.40614	0.4
182.11743	0.7
191.10696	0.5
209.11761	74.6
210.12073	3.8
224.16443	0.5
227.12822	16.5
228.13200	1.3
232.13338	1.1
235.08167	8.4
244.14139	0.5
250.14607	0.6
253.09251	9.5
256.55386	0.3
268.15540	1.4
277.21707	100.0
278.22067	9.0
286.16550	1.5
291.19565	0.5
297.15457	0.4
400.34631	0.4
445.20648	2.9
463.22086	0.5
478.70886	0.4
479.03564	0.4
513.30743	4.0
514.31067	0.4
702.38519	0.5
782.46814	2.9
783.47205	0.9
826.49103	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	826.463
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16700	1.0
59.01234	1.3
63.96103	2.6
70.60278	1.4
70.60608	2.1
71.01252	12.4
71.46439	0.9
72.99176	1.2
73.02802	2.2
75.07169	0.9
78.95770	1.7
78.98458	9.1
79.95591	17.2
80.96387	100.0
84.00739	1.1
85.02812	3.9
87.00733	4.9
88.98666	1.8
94.97964	20.1
96.95885	5.1
97.02799	1.9
98.84653	1.0
99.00768	1.4
99.04428	1.1
101.02295	3.0
105.26251	1.1
106.97961	4.7
122.97451	3.8
125.02311	3.1
126.97215	1.0
127.03880	1.6
132.66681	1.0
134.97491	6.1
136.99086	1.5
148.99051	7.1
152.98500	7.5
164.98541	16.5
183.78743	1.0
189.25185	1.0
198.36269	1.1
200.38483	1.1
203.55708	1.0
204.07454	0.9
206.99638	4.4
209.11682	3.9
225.00691	33.3
226.00847	1.4
244.15482	1.2
255.23157	2.3
261.20856	1.2
277.21741	3.3
325.18414	6.2
344.70892	1.0
368.70920	1.4
526.19690	3.8
537.27643	2.6
709.38354	1.4
765.06165	1.1
782.43518	17.5
783.44275	3.1
826.46265	99.5
827.46576	19.7
830.49847	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	825.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28544	1.3
71.30726	0.1
78.95762	0.2
79.95578	0.7
80.96394	0.2
96.95885	0.2
119.04912	0.6
131.00687	0.1
168.12799	0.1
170.00323	0.9
183.01135	25.5
184.01649	1.0
197.02737	2.0
198.03433	0.5
201.99419	0.2
209.35951	0.1
211.04315	0.3
216.00871	0.7
225.05867	0.3
230.02519	0.5
239.07448	0.4
247.20731	0.3
253.09062	0.2
265.21451	0.1
311.16855	100.0
312.17200	8.0
312.22507	0.2
325.18423	0.5
373.37930	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	826.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	4.2
61.98703	1.4
71.01256	1.8
85.02813	2.9
87.00748	1.0
88.98660	0.9
89.02298	1.0
93.03336	36.1
94.03672	1.0
94.06483	2.0
96.89112	0.7
96.95889	4.9
106.06509	2.0
107.03640	6.5
116.92735	8.0
117.92745	1.6
119.04896	0.8
120.08074	2.8
122.05115	1.7
122.06007	33.9
123.06391	1.0
132.04506	1.1
134.06001	3.6
137.03641	0.7
139.02679	3.5
150.05466	2.3
152.07077	59.3
153.07471	1.3
160.03967	1.2
166.04964	1.0
171.10141	1.1
174.05537	1.0
191.01878	1.2
209.11902	0.8
212.10750	1.7
223.12086	1.0
235.08626	0.9
235.12428	1.1
237.06683	1.1
237.10327	2.1
249.10306	0.9
250.07462	2.3
251.11853	2.7
261.59375	0.9
263.08200	2.6
264.06561	2.5
264.09076	1.7
265.09708	1.8
265.12561	0.7
267.11224	1.0
277.09802	3.2
278.10547	2.2
279.11310	3.9
291.11310	1.5
293.09381	1.0
295.10944	1.3
305.16898	0.9
313.13763	0.8
316.11893	1.2
317.12939	1.0
317.16318	0.9
323.10629	0.9
325.11981	2.8
326.14102	0.8
327.21704	1.3
329.13028	1.0
329.16556	2.2
330.13666	2.7
331.14490	7.1
338.12720	1.0
341.16574	1.9
342.13367	0.8
343.10818	7.7
343.14502	1.9
344.11035	1.7
345.16046	2.6
353.16055	0.9
355.12952	2.9
356.11523	4.8
357.12253	6.6
357.15714	0.7
369.12439	1.1
371.13928	12.8
372.14511	2.7
373.15585	1.5
381.56119	0.7
383.13989	1.4
384.14810	1.7
385.15482	3.0
390.18341	1.1
415.12961	10.7
416.13315	1.9
423.60629	0.8
429.14438	2.5
434.17657	0.8
437.18784	1.7
461.17007	0.8
474.17654	1.0
495.21381	1.7
496.22269	2.5
508.18762	12.4
510.23615	1.6
519.22070	0.8
522.20221	1.5
537.22516	2.4
538.22961	0.9
540.21295	3.1
541.21478	1.5
554.23279	0.9
581.21613	2.4
582.22156	2.4
612.23792	0.9
613.24249	30.5
614.24579	7.4
620.27411	1.2
688.26556	13.2
689.27051	2.2
720.29248	100.0
721.17395	1.5
721.29608	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	825.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
67.89117	0.3
69.28204	1.2
69.28619	2.4
74.81099	0.3
77.48684	0.3
78.95753	0.5
79.95617	0.5
90.83011	0.4
100.60191	0.3
119.04924	0.5
123.40058	0.3
162.00883	0.3
170.00299	0.5
183.01134	21.3
184.01743	1.4
197.02702	8.2
198.03329	1.1
209.11847	0.4
216.00928	1.1
223.13539	0.4
225.05869	0.4
230.02504	1.2
247.20457	0.6
253.09094	0.5
261.49515	0.3
276.00180	0.4
279.19632	0.6
311.16843	100.0
312.17166	9.0
325.18253	0.4
468.44171	0.4
506.14581	0.4
532.77960	0.4
610.61584	0.4
690.24799	0.4
697.58099	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	5.3
62.72475	1.1
69.03346	1.6
70.15096	4.9
71.04880	1.2
78.95780	7.3
80.02576	1.6
81.03336	4.2
83.01268	8.7
83.04901	2.5
93.03324	1.5
94.33356	1.2
95.04930	2.7
97.02844	4.3
97.06470	7.7
98.20580	1.0
105.92896	1.1
106.04153	1.3
108.02102	1.5
109.06469	2.7
111.08031	1.3
121.06508	1.4
123.04412	7.1
123.08057	5.1
125.09618	13.9
135.08057	3.1
137.09619	6.7
141.12733	1.5
149.06076	1.4
152.99428	1.7
161.09717	1.9
162.34637	1.2
163.07582	1.2
163.11203	15.0
165.09160	2.0
165.12727	3.2
167.10672	2.4
168.04178	2.5
171.10161	1.4
179.10701	1.5
179.12865	1.4
181.12280	3.5
185.11742	14.1
189.12842	1.2
191.10728	3.7
191.14334	13.5
207.10150	7.9
209.11777	82.6
210.12111	4.9
217.15919	2.6
225.11269	8.4
226.11920	1.7
242.08022	2.5
245.19086	30.8
246.19473	2.0
263.20117	3.4
271.17023	4.1
277.21719	100.0
278.22079	7.2
289.18097	95.6
290.18439	4.8
306.20752	2.6
307.19128	84.9
308.19464	5.5
502.29462	40.2
503.29654	3.7
617.40094	1.5
855.59406	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	823.5555
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02804	0.9
69.66445	4.8
73.68864	0.6
78.95772	2.2
79.52135	0.6
80.18800	0.7
80.26545	0.6
81.03331	16.3
83.04901	42.0
96.95898	8.8
96.96851	1.6
98.02397	0.6
100.07565	5.9
109.69230	0.6
126.05490	0.7
127.76392	0.6
145.05023	1.0
168.86142	0.6
199.18106	7.9
207.15077	1.2
219.29128	0.6
224.17674	1.0
225.16013	9.1
225.71336	0.7
243.17116	20.0
244.17551	1.3
247.84827	0.8
284.85989	0.7
327.40833	0.7
353.20792	5.1
415.22269	0.8
425.77271	0.7
433.31757	0.8
451.32809	3.7
469.34021	11.8
470.34238	1.5
490.63086	0.7
579.37469	1.5
695.50757	4.6
696.50586	1.1
823.55493	100.0
824.55872	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.5212
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00452	0.4
59.01247	6.8
68.99674	0.2
69.03329	1.8
69.61345	1.6
71.01251	8.1
71.04874	0.6
72.99160	0.6
73.02814	2.6
78.95744	0.5
80.96375	0.7
83.01258	1.6
83.04879	0.7
84.02032	0.5
85.02819	9.6
85.06438	0.5
87.00751	2.1
89.02309	4.1
90.02606	0.2
91.03867	0.4
95.01247	0.7
95.04868	0.4
96.95885	0.4
97.02823	2.3
97.06456	2.0
98.20486	0.5
99.00742	0.7
99.04340	0.2
101.02318	7.6
103.03871	0.3
109.06436	0.2
111.00740	0.3
111.04417	0.3
111.08001	0.5
113.02323	3.8
113.09607	0.3
115.03889	0.4
115.62753	0.2
119.03378	1.6
119.08553	0.4
125.02319	0.6
125.05956	0.3
125.09616	1.0
127.07539	0.4
127.11178	0.8
133.04930	1.3
137.09615	2.0
143.03447	1.1
145.04951	2.3
152.99591	0.3
155.10652	0.5
157.04956	0.4
161.04453	4.0
165.12643	0.2
169.04958	0.3
169.12242	0.4
171.10176	21.6
172.10526	0.6
177.12840	0.4
179.05484	0.6
181.12234	0.4
183.13824	3.8
183.64345	0.2
185.11771	0.3
186.79137	0.2
193.12234	0.5
195.13910	1.5
197.11765	2.2
199.13280	0.2
201.11235	1.1
209.11710	0.4
211.13326	6.5
212.13727	0.3
221.11726	0.9
223.13358	0.4
223.16890	0.3
229.14433	3.1
235.08183	18.6
236.08450	0.8
239.12807	0.7
247.20573	0.2
251.16512	1.0
253.09248	25.1
254.09686	1.2
259.20786	0.5
269.17450	0.5
275.20270	0.5
277.21704	100.0
278.22034	7.5
291.19684	4.2
292.20117	0.6
293.17911	0.5
293.21213	5.6
294.21552	0.4
295.22775	5.0
309.20694	14.0
310.20953	0.9
311.22287	3.5
327.21744	68.5
328.22110	4.9
357.21686	0.2
513.30713	0.7
545.29645	2.1
563.30560	1.9
587.43091	1.4
588.43054	0.4
693.38934	0.2
823.42963	0.5
824.47443	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00467	1.1
59.01246	20.1
63.77190	0.5
69.03313	4.3
69.23438	0.9
69.23845	5.1
70.57605	0.5
71.01247	18.3
71.57913	0.5
72.99172	1.6
73.02821	2.9
78.95763	0.6
80.96385	2.4
81.03334	0.8
83.01260	2.8
83.04903	1.4
85.02820	14.7
86.21101	0.5
87.00743	2.9
89.02308	13.9
89.02827	1.0
95.01266	0.8
95.04884	1.6
96.95892	1.0
97.02806	4.8
97.06461	10.6
98.06820	0.6
98.57529	0.6
99.00748	1.1
100.33627	0.6
101.02312	13.9
113.02329	6.8
113.09558	0.9
119.03400	3.3
123.08038	5.1
125.02312	2.4
125.09605	46.9
126.09961	1.8
127.11153	1.7
129.09074	0.6
131.03378	0.8
133.04991	0.8
137.09601	3.9
143.03377	1.7
143.10670	1.0
149.04474	0.6
155.10648	1.4
157.04837	0.5
161.04451	4.4
163.11166	0.6
165.55867	0.5
169.08575	1.4
169.12341	0.8
171.10170	45.2
172.10513	1.6
179.05557	1.7
181.12199	0.6
183.13783	2.0
185.11705	1.1
187.09666	25.0
188.10057	1.4
193.12250	1.5
195.13853	2.8
197.11751	2.4
199.13347	1.0
201.11253	2.1
209.11781	1.9
211.13329	12.5
221.06560	0.9
221.11761	2.1
223.13365	1.1
225.00627	0.6
227.12831	0.7
229.14415	6.3
233.66501	0.5
235.08150	8.5
239.12798	1.5
247.20576	1.3
253.09250	35.9
254.09653	1.5
255.23256	25.0
256.23651	1.7
266.13266	0.5
275.20239	1.6
277.21692	74.5
278.22079	5.4
291.19623	8.1
292.19894	0.7
293.21219	20.1
294.21539	2.2
295.22748	9.6
296.22946	0.8
309.20679	28.7
310.21024	1.8
311.22253	15.8
312.22565	1.0
327.21732	100.0
328.22098	7.4
397.13437	2.0
491.06848	0.6
545.29761	4.1
563.30701	5.1
567.22986	1.5
585.23694	0.6
587.42834	3.5
751.65851	0.6
823.46893	62.6
824.47064	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	823.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	14.6
60.06897	5.1
61.43419	4.8
61.98698	12.2
71.01267	15.3
71.23832	12.0
71.68069	5.3
79.95615	8.2
80.96397	34.8
83.04916	6.8
85.02853	5.8
94.97974	6.8
96.95913	13.8
101.02354	6.2
118.97965	5.5
119.64458	4.7
125.09589	7.9
125.55181	5.6
131.38490	5.1
171.10190	12.4
197.11771	14.6
201.11221	7.6
209.11758	100.0
225.00716	6.8
225.11252	9.2
227.12917	20.2
235.08127	6.4
253.09230	14.0
283.13846	9.1
289.18054	12.5
291.19666	18.4
307.19183	14.1
309.20700	65.6
445.20850	9.1
545.29596	7.6
779.40302	6.2
823.41864	67.4
824.41614	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.9
58.00465	0.8
59.01249	6.5
59.07607	0.3
60.28227	0.3
61.98697	0.9
69.03313	2.2
71.00875	0.7
71.01249	7.2
71.04889	1.1
72.06970	0.3
72.99184	0.7
73.02800	1.2
78.54933	0.3
78.95778	0.5
79.95591	0.8
80.02543	0.4
80.96391	4.3
81.03294	0.5
82.95964	1.1
83.01247	0.8
83.04887	1.1
85.02820	1.6
87.00742	1.6
87.87968	0.4
89.02313	4.2
94.97968	1.1
95.01279	0.6
95.04895	0.8
96.95886	1.8
96.96830	0.4
96.97516	0.3
97.02824	6.4
97.06444	1.0
101.02317	6.8
109.06473	1.0
109.35962	0.4
111.04379	0.4
111.08054	3.6
113.02333	4.5
113.09646	0.4
119.03419	1.8
119.08569	1.5
121.06488	0.4
121.10130	1.1
123.07992	0.6
125.02326	0.4
125.09617	1.9
127.07562	0.4
127.11191	0.4
137.09637	2.0
143.03404	0.7
145.04915	0.5
151.11156	0.6
153.09084	0.5
161.04433	3.4
163.11172	2.1
164.98558	0.5
165.12758	5.1
167.10674	0.9
169.12259	1.5
171.10187	10.7
177.12761	0.7
179.05478	0.4
179.10719	0.5
179.14333	1.1
181.12253	1.3
183.13818	2.4
185.11790	1.2
191.14346	0.8
193.12247	1.1
193.15883	0.7
195.13838	7.0
196.14220	0.5
197.02750	0.5
197.09953	0.8
197.11775	13.7
198.12141	1.0
199.13385	0.7
205.12271	0.6
207.10059	0.6
209.11835	2.4
209.15410	1.4
211.13341	5.5
215.91574	0.3
221.11838	0.5
223.13326	7.0
223.16841	0.6
224.13699	0.4
225.00684	1.1
225.11336	0.4
225.14848	1.0
227.12834	3.1
228.13388	0.5
231.21336	0.5
233.15373	1.0
235.08173	3.5
235.16982	4.2
239.12865	0.7
245.19080	0.5
247.20653	3.5
249.14908	0.5
251.16513	1.2
253.09247	31.3
254.09601	0.9
256.13165	1.4
263.20044	0.8
265.18216	0.4
265.21600	0.7
273.18668	2.6
275.20160	12.8
276.20560	1.1
277.21655	2.0
289.18146	3.8
291.19662	42.8
292.19986	3.9
293.21216	100.0
294.21533	8.2
295.22775	3.9
309.20694	89.1
310.21002	7.6
339.20035	1.3
421.55624	0.5
481.25870	1.1
525.26508	0.5
527.28912	1.0
529.30444	0.7
545.29510	2.1
546.30688	0.6
585.41528	3.0
586.41992	0.6
626.50146	0.4
785.48767	0.4
821.41565	3.4
822.43359	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.4
59.01249	7.0
61.98704	7.9
64.44281	0.7
67.01765	1.2
67.25060	0.8
68.94033	0.7
71.01254	6.7
73.02811	0.9
78.91734	1.0
78.95773	4.6
79.95590	1.7
80.96387	10.3
82.95956	1.2
83.01235	0.9
83.04891	0.9
85.02827	1.5
87.00752	1.9
89.02296	3.3
94.97962	1.7
96.95859	1.3
96.97504	0.7
97.02784	0.7
97.06494	0.9
101.02309	5.2
111.08019	2.0
113.02317	3.2
119.03410	1.1
121.10117	3.0
125.09593	5.5
134.97533	0.7
137.09628	0.9
152.99532	4.0
161.04482	2.2
164.98479	1.1
167.14352	1.4
171.10168	17.4
172.10512	0.9
173.39372	0.8
179.05511	1.3
179.14334	1.4
183.01157	1.1
185.11758	5.4
195.13832	8.3
197.02666	4.2
197.11755	2.4
209.11813	1.7
211.13330	85.0
212.13681	3.8
223.13316	6.4
225.00745	1.9
225.11212	1.0
230.02440	1.0
233.15454	0.8
235.08183	7.4
245.04366	3.7
247.20485	0.9
251.16490	1.8
253.09242	21.8
253.21634	1.6
254.09709	1.2
256.13214	1.1
275.20166	7.6
277.21735	2.5
289.18082	1.2
291.19653	66.9
292.20029	6.0
293.21213	100.0
294.21573	9.0
309.20648	7.4
339.19931	22.8
340.20203	2.2
375.05194	0.7
447.22253	2.5
465.59604	0.8
474.00790	0.7
481.25775	11.8
482.25742	0.9
511.29172	0.8
527.28528	7.1
528.29230	1.2
529.30219	1.8
731.36810	2.8
732.37128	0.8
821.41223	5.5
822.43219	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	821.5056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.7
58.00447	0.7
59.01249	7.1
61.98692	0.8
69.03304	0.8
70.93063	0.4
70.93404	0.6
71.00886	0.5
71.01251	6.0
73.02825	1.4
79.43401	0.3
80.96491	0.3
83.01267	0.5
83.04855	0.6
85.02804	0.7
86.85375	0.3
87.00732	1.3
87.18713	0.3
89.02313	4.3
95.01258	0.6
95.04880	0.7
96.95861	0.8
97.06489	0.3
101.02313	4.3
109.06462	0.7
111.08035	7.6
113.02335	2.6
113.09570	0.4
119.03358	1.1
127.07510	0.8
145.04930	0.6
151.11122	0.5
153.09084	0.4
153.12689	0.6
160.18016	0.3
161.04465	2.8
167.10678	0.8
169.12263	3.4
170.12552	0.4
171.10182	0.8
179.05525	0.9
179.10609	0.4
179.14238	1.0
181.12224	1.3
183.13808	0.9
193.12248	0.4
195.13834	9.0
196.14345	0.7
197.11755	37.8
198.12108	1.7
198.13718	0.3
199.13307	3.0
205.12216	1.0
205.15913	0.6
211.13301	6.3
223.13354	6.3
225.14822	0.5
227.10657	0.3
227.12843	1.0
228.13487	0.5
235.08163	2.2
253.09261	28.9
254.09517	1.2
256.13123	1.1
259.68692	0.3
263.20157	3.5
265.18042	1.0
273.18466	0.7
275.20139	6.0
276.20477	0.4
277.21628	0.4
289.18115	0.4
291.19653	11.6
292.20016	1.1
293.21207	100.0
294.21545	8.0
309.20694	53.9
310.21030	4.2
324.08395	0.3
328.58310	0.3
339.34750	0.4
492.22150	0.5
515.15289	0.3
527.28857	0.5
529.30145	1.1
545.29950	1.2
546.29370	0.4
585.41656	2.7
586.41479	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	1.0
58.00491	0.5
59.01247	4.9
59.73159	0.3
65.93243	0.4
69.03358	0.7
69.64004	2.4
71.01251	4.8
71.04915	0.6
73.02827	0.7
74.39478	0.3
78.95758	0.7
80.96430	1.3
82.95995	0.5
83.01261	0.5
83.04913	0.9
85.02852	1.2
87.00784	1.0
89.02316	3.2
95.04921	0.3
96.95924	0.8
97.02827	2.8
97.06492	0.6
99.00805	0.4
99.04362	0.4
101.02314	4.7
109.06494	0.5
111.08038	4.4
113.02334	2.3
113.67349	0.4
119.03422	1.1
119.08593	0.3
123.08028	0.5
125.09673	0.7
127.07590	0.5
137.09660	1.4
141.09148	0.4
143.03442	0.7
145.05006	0.4
149.09589	0.4
153.83975	0.4
161.04453	2.6
165.12767	1.2
167.10793	0.8
169.12286	1.5
170.12721	0.4
171.10213	2.8
177.12758	0.4
179.05551	0.5
179.10818	0.5
179.14377	1.0
181.12300	1.4
183.13832	0.7
193.12360	0.4
195.13841	9.1
196.14400	0.6
196.65421	0.3
196.67459	0.3
197.11769	17.6
198.12109	0.8
199.13336	1.3
205.12250	0.8
208.39760	0.3
209.11719	0.6
211.13315	4.8
221.11906	0.6
221.15443	0.5
223.13339	6.8
227.12791	0.8
228.13583	0.7
231.21191	0.4
235.08215	2.4
235.17043	0.5
239.12869	0.6
247.20610	0.9
253.09256	26.4
254.09644	0.7
256.13147	1.4
263.20187	1.9
265.18042	0.4
265.21677	0.8
273.18661	0.9
275.20151	6.3
291.19644	14.5
292.19968	1.1
293.21213	100.0
294.21536	5.8
309.20691	58.5
310.20999	4.3
339.19794	1.6
370.69763	0.4
481.25378	1.1
492.21967	0.6
527.28204	0.5
529.29993	1.0
545.29388	1.3
567.21179	0.4
585.41638	1.9
821.41980	1.5
822.42419	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.0
58.00474	0.4
59.01244	5.8
65.68455	0.4
69.03347	0.7
69.81815	1.8
71.01246	4.6
73.02825	1.0
80.96391	0.4
85.02835	1.2
87.00723	0.6
89.02328	2.8
90.74335	0.4
97.06501	0.5
101.02325	4.6
109.06476	0.4
111.08029	6.7
113.02319	2.4
119.03374	0.9
127.07539	0.6
141.09134	0.4
143.03346	0.4
151.11208	0.5
153.09036	0.5
153.12749	0.5
161.04485	2.4
167.10747	0.7
169.12276	2.8
171.10190	0.7
179.05522	1.0
179.10707	0.8
179.14340	0.6
181.12311	1.1
183.13811	0.6
195.13844	8.5
196.14395	1.0
197.11755	36.7
198.12119	1.5
199.13318	2.6
205.12267	0.8
205.15993	0.5
211.13318	5.6
212.13626	0.5
223.13333	6.3
224.13873	0.6
225.15146	0.4
227.12823	0.9
228.13634	0.9
229.19504	0.4
235.08153	2.8
235.16917	0.4
253.09253	27.1
254.09634	1.3
256.13116	0.8
263.20178	1.7
265.18115	0.8
265.21725	0.4
273.18658	0.8
275.20135	6.3
276.20645	0.8
277.21658	0.5
291.19650	12.1
292.19958	1.1
293.21213	100.0
294.21527	8.5
309.20691	48.0
310.20981	4.2
433.20654	0.4
459.22418	0.4
492.21652	0.5
510.02097	0.4
515.36151	0.4
529.30408	0.8
545.30090	1.0
585.41815	2.2
750.23102	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	31.4
61.98704	98.5
71.01249	26.3
71.58566	10.5
73.68949	10.7
75.59213	8.8
78.95813	10.9
79.95612	32.9
80.96388	77.4
81.80046	9.5
82.95932	11.3
94.97986	12.0
96.95875	20.7
130.21211	9.8
135.08122	10.9
148.70193	8.0
149.35989	11.4
164.98460	9.8
171.10225	15.4
197.11754	12.8
209.11771	100.0
225.00797	21.3
225.11363	9.0
227.12791	37.3
249.15067	11.4
253.09180	18.9
289.18167	36.3
293.21185	13.3
297.15366	21.5
307.19278	19.5
309.20569	10.8
316.38971	10.4
353.03165	8.5
355.73239	9.5
586.53888	11.4
794.99213	11.9
821.40784	83.3
822.41949	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	821.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.0
69.22996	1.5
69.23402	7.7
73.63929	0.7
75.69825	0.8
77.51650	0.6
79.79913	0.7
93.03348	17.5
96.95914	5.5
99.84014	0.7
109.02841	3.5
119.01269	1.0
119.04935	1.2
121.02845	0.9
122.05993	1.0
137.02325	1.7
139.03912	1.1
145.02832	1.7
148.01529	2.3
149.02315	3.0
152.07063	1.8
163.00244	1.7
169.06529	0.9
171.04385	3.0
172.28166	0.7
175.00278	5.8
179.44276	0.8
185.05821	0.8
187.03847	1.6
189.01845	1.6
197.05983	2.7
199.03952	2.2
201.05432	1.3
209.11758	0.7
210.03294	0.7
211.03947	2.3
212.04716	1.6
213.01816	1.2
213.05461	3.2
214.02679	1.4
215.03410	2.7
223.03937	1.2
224.04790	1.8
225.05544	5.7
226.02621	0.9
226.05905	0.9
227.03400	1.4
228.04108	0.9
237.05623	1.0
239.03459	8.9
240.04099	3.0
241.05045	10.2
243.02899	1.2
243.06612	1.5
251.03432	1.6
252.04088	0.8
253.05089	5.5
255.03105	3.7
255.06105	0.7
256.03662	3.3
257.04492	2.6
267.03003	3.2
268.03699	2.5
269.04550	24.4
270.05054	2.5
279.02930	2.7
280.03790	1.4
281.04697	6.0
282.05252	4.0
283.02432	3.5
283.05792	0.8
284.03189	5.0
285.04138	6.2
295.02466	1.9
296.03168	2.2
297.04047	22.8
298.04468	2.4
301.08719	2.1
306.07999	1.1
307.02423	2.0
312.02698	1.9
313.03455	1.3
317.08191	7.3
318.08655	1.4
319.09637	1.7
324.02789	1.0
325.03491	2.2
329.08252	0.9
329.62579	0.8
333.07669	3.1
334.08398	1.5
345.07739	4.7
346.08334	2.0
347.05505	1.3
347.09354	1.2
348.06195	1.3
349.07083	3.4
360.06497	1.3
361.07175	10.3
362.07910	4.5
363.08658	4.7
372.06601	0.9
373.07101	9.2
374.07834	1.7
375.04715	3.9
376.05481	2.8
377.06613	2.9
381.45023	0.9
389.06705	39.2
390.07297	11.2
391.08319	7.6
401.06549	2.1
417.06168	13.4
418.06915	42.9
419.07697	51.9
420.08057	5.2
455.11337	2.9
483.10550	3.5
484.11435	2.0
512.11084	23.0
513.11890	21.4
514.12250	2.6
609.23083	1.5
641.26044	3.1
727.05365	1.8
727.18799	86.8
728.19177	14.9
821.22949	100.0
822.23175	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.7
59.01254	7.2
61.98707	0.9
69.03326	1.3
71.01253	6.4
73.02819	1.6
78.95760	1.2
80.96371	0.5
81.03334	0.9
83.01276	1.9
83.04897	1.5
85.02833	2.2
87.00750	1.4
89.02306	4.4
93.03362	0.6
95.04890	1.7
96.95861	0.7
97.02827	1.6
97.06444	3.3
99.00723	0.8
101.02323	4.8
108.02068	0.5
109.06465	1.1
111.08047	2.8
113.02335	2.2
113.09621	0.6
115.87556	0.5
119.03390	1.6
123.04379	1.7
123.08081	0.7
125.09606	4.0
127.07599	0.6
135.08038	0.7
137.09615	1.6
141.09082	0.6
148.08812	0.5
151.11217	1.1
161.04469	2.6
161.09621	0.6
163.11208	4.6
165.12752	0.8
167.10709	1.0
169.12227	1.2
171.10164	1.0
177.12767	1.2
179.05530	0.9
179.10648	0.6
179.14281	0.8
181.12285	1.2
183.13954	0.5
185.11760	3.9
191.14360	5.1
195.13855	10.9
197.11771	7.0
198.12059	0.7
205.12357	1.0
205.15918	0.8
207.10167	1.9
209.11751	7.8
211.13341	2.4
217.15971	0.8
223.13371	7.0
225.11279	1.9
225.14816	0.6
227.12813	0.8
228.13641	1.1
235.08278	2.9
237.11342	3.5
243.17467	1.0
245.19084	8.5
246.19427	0.9
253.09261	20.2
254.09535	0.9
256.13113	1.4
263.20178	2.1
271.17001	1.8
273.18665	0.7
275.20148	7.5
277.21667	1.8
285.38885	0.6
289.18094	49.3
290.18546	3.6
291.19672	23.7
292.20157	1.2
293.21231	100.0
294.21536	6.7
307.19144	39.7
308.19431	2.3
309.20728	10.0
310.21234	0.8
525.27106	1.0
527.28613	1.7
543.27997	0.9
782.80792	0.7
819.49194	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	3.0
57.42652	0.7
59.01028	0.7
59.01249	8.0
61.98702	2.6
69.03300	1.0
71.01247	8.9
71.04904	1.2
71.56783	1.8
73.02837	0.9
77.85028	0.8
78.95770	2.9
79.95631	2.2
80.02570	0.9
81.03284	0.8
83.01251	1.9
83.04905	3.3
85.02814	2.0
87.00765	2.1
89.02306	4.0
95.01254	1.8
95.04889	1.2
96.95888	66.1
97.06476	5.8
99.00771	1.2
99.29327	0.9
101.02286	6.5
109.06450	2.0
111.08032	3.1
111.43686	0.9
113.02328	3.6
119.03366	0.9
123.08051	1.0
125.09605	1.3
137.09604	1.0
143.03423	1.0
144.92686	0.8
149.09694	1.1
151.11206	4.7
152.99438	1.2
153.12624	1.2
155.10547	1.0
161.04453	1.8
163.11150	1.8
165.12761	7.1
167.10669	1.8
169.12250	2.3
171.10126	1.4
177.12770	0.9
179.05559	1.3
179.10692	2.6
179.14360	1.0
181.12250	5.2
183.13800	2.3
185.11771	3.9
191.10686	3.3
191.14403	2.0
195.13837	8.5
197.11710	1.3
205.12196	2.0
207.10170	0.9
209.11752	21.6
210.12105	1.1
211.13304	4.6
221.11604	0.9
223.13321	6.7
227.12825	6.9
235.08191	4.6
245.19080	5.7
253.09227	15.2
263.20132	10.8
275.20129	7.5
277.21725	9.7
278.21951	0.8
279.19696	1.1
287.16351	1.3
289.18109	16.0
291.19595	2.1
293.21213	100.0
294.21573	7.9
305.17548	1.3
307.19131	52.0
308.19400	3.7
309.20657	1.6
313.51971	1.1
445.20761	9.9
446.21417	1.3
525.27057	1.7
543.28137	9.2
584.09863	0.9
721.41321	3.4
736.39905	1.4
801.48315	1.6
819.48560	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	819.4899
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.7
59.01249	9.3
61.98700	14.4
67.01764	0.5
69.03322	1.3
71.01253	7.5
71.57909	0.7
72.99174	0.7
73.02811	1.5
75.00739	0.4
78.95775	0.6
80.02542	1.2
80.96379	0.6
81.03326	2.4
83.01248	2.4
83.04900	1.3
85.02815	2.0
87.00760	1.5
89.02303	4.2
90.84059	0.4
93.03306	0.5
95.01235	0.8
95.04884	1.4
97.02819	2.5
97.06464	4.0
99.00737	0.8
101.02315	6.7
106.04088	0.5
107.04882	0.5
109.06470	1.5
111.04445	0.5
111.08005	0.9
113.02318	3.6
113.06014	0.7
113.09616	0.4
119.03362	1.5
119.08554	0.9
121.06469	1.4
121.10109	0.9
123.04418	2.1
123.08003	1.9
125.05963	0.6
125.09615	5.8
133.04880	0.4
135.08073	1.1
137.05968	0.9
137.09605	2.9
141.12735	0.9
143.03389	1.2
149.05931	1.1
149.09581	0.7
161.04462	3.0
161.09647	0.9
163.07524	0.6
163.11186	6.2
165.12756	1.4
167.10643	0.6
171.10194	3.7
175.11172	0.7
177.12811	1.1
179.05493	1.1
179.10641	0.9
179.14290	0.9
181.12262	1.5
185.11766	7.3
189.12793	0.5
191.10693	1.0
191.14331	8.3
193.12227	0.8
195.13844	8.8
196.14383	0.7
197.11772	1.5
205.12268	1.0
205.16014	0.5
207.10257	3.4
209.11777	17.1
210.12123	0.8
211.13385	2.7
217.15898	1.3
221.11711	0.4
223.13345	6.6
224.13815	0.5
225.11229	2.8
226.12029	0.5
227.12691	0.7
227.17921	0.4
228.13631	1.0
231.20999	0.5
235.08170	3.2
237.11276	7.5
243.17531	0.8
245.19070	14.8
246.19398	0.7
247.16930	0.4
253.09262	24.7
254.09683	0.7
256.13220	1.7
263.20151	4.6
271.17081	2.3
273.18472	0.7
275.17398	0.6
275.20178	8.5
276.20490	0.5
277.21713	1.6
279.19424	0.4
281.21237	0.7
287.16696	0.5
289.18085	78.8
290.18344	4.9
291.19659	4.9
292.88901	0.4
293.21207	100.0
294.21567	7.4
305.17572	0.9
307.19131	71.0
308.19409	4.9
309.20700	2.6
421.63831	0.4
445.20831	0.8
525.27271	1.7
527.28809	0.7
543.28015	2.8
578.81793	0.4
819.49280	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	819.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.0
59.01245	10.6
61.98693	1.7
69.03313	1.1
71.01252	8.0
71.04498	0.7
73.02821	1.1
78.95769	1.7
81.03333	2.0
83.01255	2.7
83.04877	1.3
85.02827	3.5
87.00737	2.0
89.02325	6.1
95.04897	1.8
96.95860	5.9
97.02842	2.3
97.06474	2.7
98.20576	1.3
99.04366	1.0
101.02314	8.0
105.65318	0.8
109.06508	1.3
111.08040	2.4
113.02301	3.9
119.03389	1.7
121.06472	1.4
123.04401	3.4
123.08040	0.8
125.09612	5.3
135.07954	1.1
137.09608	2.6
141.12755	1.0
143.03363	1.0
145.04971	0.7
151.11252	1.0
161.04474	2.9
161.09624	1.2
163.11205	7.5
165.12798	1.2
167.10597	0.9
171.10162	2.9
177.12723	1.3
179.05605	1.6
179.10660	1.3
179.14304	1.3
181.12286	1.0
185.11757	5.9
191.14307	7.0
195.13829	6.5
197.11778	5.7
199.13315	1.0
205.12312	0.9
207.10204	2.9
209.11765	12.0
210.12305	0.9
211.13333	3.2
223.13254	6.1
223.15100	0.8
225.11259	3.7
235.08203	5.3
237.11243	5.8
243.17593	1.0
245.19078	15.9
246.19391	1.7
253.09256	25.0
256.13235	1.3
263.20132	1.5
271.17029	1.8
273.18817	0.9
275.20117	8.0
276.20383	1.0
277.21771	2.6
289.18091	87.7
290.18497	5.8
291.19681	25.1
292.20047	1.4
293.21213	100.0
294.21579	7.5
307.19144	66.8
308.19482	3.6
309.20685	10.2
366.44138	0.8
525.27002	1.9
527.28827	2.6
543.28082	3.0
819.48816	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	819.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.6
59.01249	5.8
61.98701	2.9
69.03328	0.5
69.93047	0.5
69.93459	1.3
71.01253	5.0
71.04878	1.4
73.02811	0.8
73.51360	0.3
78.95793	0.5
78.98446	0.8
79.95598	1.5
80.02556	0.8
80.95907	0.5
80.96387	9.2
81.03340	0.6
82.95274	0.4
83.01276	0.6
83.04867	0.7
85.02822	1.2
87.00756	1.0
89.02307	3.0
94.97946	2.0
95.01264	0.4
95.04900	1.2
97.06441	0.5
98.20511	0.7
99.00735	0.4
101.02313	4.3
106.04113	0.5
109.06469	7.3
111.04392	2.0
111.08014	1.3
113.02345	2.3
118.66138	0.3
119.03406	0.6
119.04884	0.5
121.06512	0.4
121.10099	0.5
122.97459	0.5
123.08075	1.2
127.07544	1.2
134.97432	0.4
135.08038	0.6
135.11685	0.4
137.09584	0.7
143.10687	0.8
145.06516	1.4
148.99010	0.7
149.09673	1.0
151.11197	0.5
152.98489	0.5
161.04520	1.9
163.11169	0.7
164.98566	1.8
167.10645	1.6
171.10107	0.5
177.12773	0.8
179.10677	1.0
179.14265	0.9
181.12332	0.4
183.01158	2.1
191.14389	0.5
195.13824	9.7
196.14360	0.8
197.02711	2.3
205.15900	0.6
206.99478	0.4
209.11795	0.5
211.13405	0.6
215.14433	0.4
223.13350	4.6
224.14117	0.4
225.00719	2.1
228.13489	0.6
235.08087	2.6
235.13342	0.9
245.18990	4.3
251.16577	0.5
253.09259	17.5
254.09497	0.6
256.13159	1.5
261.18665	0.4
264.85388	0.4
265.21600	0.7
271.17053	1.1
275.20145	5.5
287.16507	1.5
289.18082	100.0
290.18423	6.3
291.19855	0.7
293.21213	88.6
294.21530	5.1
307.19165	4.9
309.20566	0.5
325.18411	16.0
525.26984	2.9
529.30292	0.6
565.39087	0.6
819.41766	7.4
820.41925	1.3
836.09882	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32199	2.2
69.32491	23.1
72.99188	13.0
75.00742	11.2
75.97245	2.3
93.03302	2.1
98.19756	4.1
121.02856	3.6
127.06393	3.3
133.04958	100.0
137.02324	4.9
161.26938	2.6
177.32169	2.2
292.04849	2.2
309.46716	2.3
417.14096	13.2
575.47504	2.7
849.83911	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	819.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	3.5
57.21459	1.2
58.00485	2.5
59.01252	100.0
61.98707	2.3
69.03333	3.3
71.01255	49.9
71.57524	1.8
72.99188	2.2
73.02828	10.1
75.00747	1.9
78.60556	1.2
78.95773	1.7
79.95618	1.9
80.96398	2.3
81.03358	1.2
83.01263	7.9
83.04913	1.6
85.02821	26.0
85.06791	1.1
87.00748	8.2
87.04407	2.6
89.02322	19.2
95.01257	6.1
96.95890	18.8
97.02833	5.9
99.00736	6.3
101.02334	25.2
101.06013	1.3
113.02333	26.8
119.03378	4.4
124.01595	2.4
125.02331	12.7
129.01912	1.7
131.03375	1.3
133.04884	1.3
135.04384	1.8
143.03413	4.7
149.04422	1.5
161.04485	6.0
171.10164	4.4
179.05539	2.4
185.11845	1.4
194.33667	1.1
197.11665	1.7
207.10197	2.1
209.11780	15.2
211.13400	11.4
225.11230	2.1
227.12836	6.1
235.08295	1.8
253.09258	1.3
271.02472	4.2
299.01932	10.5
300.02686	4.0
321.04425	1.2
336.55960	1.1
397.13547	6.5
467.30396	6.4
485.31018	3.9
511.16354	1.2
558.78558	1.3
593.33264	1.9
608.13916	5.5
611.34442	17.7
612.34814	2.7
616.49341	1.3
629.35437	52.2
630.35547	9.0
642.21246	1.1
647.36450	18.6
648.37134	2.9
658.47845	1.4
671.36646	8.7
672.36743	2.1
689.37567	16.9
690.37994	4.8
819.39606	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	817.6201
Annotation	Unknow
Peak:m/z	Relative Intensity
60.60092	0.5
61.17860	0.5
61.98680	0.7
63.54726	0.4
65.51325	0.5
71.01209	0.5
71.58353	0.6
78.95772	1.5
85.77065	0.5
119.05110	0.6
124.32896	0.5
139.52315	0.6
140.81680	0.6
227.20125	100.0
228.20512	5.6
255.23299	0.8
279.23236	0.8
357.68988	0.5
447.79849	0.6
528.61279	0.6
817.51740	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01572	1.0
69.03343	0.7
70.15331	0.9
70.15681	2.2
71.01263	2.7
71.22543	0.5
73.02818	0.6
78.95782	1.1
80.51820	0.6
85.02826	0.6
87.00717	0.7
89.02335	2.4
92.35211	0.5
95.01283	0.7
96.99181	2.7
97.02845	1.2
101.02361	2.0
113.02363	0.9
119.03381	0.7
139.00365	0.8
141.01602	55.7
142.01933	1.1
149.35693	0.5
152.99556	0.6
153.01660	0.6
161.04436	0.7
235.08289	0.8
243.04733	0.7
249.80054	0.6
262.42654	0.7
277.21689	6.9
278.22089	0.6
356.28195	0.5
359.21967	5.3
360.22287	0.7
397.13446	12.7
415.14835	2.4
419.11551	3.3
437.12753	3.9
605.32312	0.6
675.36151	0.9
697.34717	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	817.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01603	1.1
63.14512	0.6
71.01262	2.5
73.02825	0.7
78.24264	0.6
78.95777	2.0
79.43079	0.6
80.16206	0.6
84.02037	0.6
89.02347	2.1
96.95906	0.7
97.02872	1.1
101.02325	1.9
113.02322	1.0
125.02324	0.9
141.01598	52.3
142.02011	1.1
143.03432	0.9
151.01591	0.6
165.01610	0.8
196.04102	0.7
229.29504	0.8
235.08374	0.9
243.04948	1.4
257.06415	0.8
277.21652	6.7
289.27249	0.7
310.65982	0.7
359.22028	5.1
380.71573	0.6
397.13516	9.6
398.14117	0.9
415.14670	2.4
419.11661	5.4
435.49194	0.6
437.12668	5.5
463.89270	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
70.15569	2.1
71.01271	2.7
73.02835	0.8
73.17789	0.6
78.95793	2.7
87.00804	0.8
89.02341	1.9
98.30390	0.7
101.02348	1.5
113.02332	1.6
125.02254	0.9
138.69284	0.7
141.01601	52.2
142.01913	1.2
144.73164	0.6
152.99556	1.5
161.04526	0.8
211.61273	0.7
235.07880	0.7
243.04872	1.4
257.06476	0.8
266.16757	0.7
277.21747	6.7
277.62823	0.8
359.22122	4.5
397.13489	11.6
415.14746	2.7
419.11664	4.1
437.12936	3.8
466.54950	0.8
469.06873	0.8
470.16501	0.7
614.86298	0.7
697.34546	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	817.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01572	1.0
69.03343	0.7
70.15331	0.9
70.15681	2.2
71.01263	2.7
71.22543	0.5
73.02818	0.6
78.95782	1.1
80.51820	0.6
85.02826	0.6
87.00717	0.7
89.02335	2.4
92.35211	0.5
95.01283	0.7
96.99181	2.7
97.02845	1.2
101.02361	2.0
113.02363	0.9
119.03381	0.7
139.00365	0.8
141.01602	55.7
142.01933	1.1
149.35693	0.5
152.99556	0.6
153.01660	0.6
161.04436	0.7
235.08289	0.8
243.04733	0.7
249.80054	0.6
262.42654	0.7
277.21689	6.9
278.22089	0.6
356.28195	0.5
359.21967	5.3
360.22287	0.7
397.13446	12.7
415.14835	2.4
419.11551	3.3
437.12753	3.9
605.32312	0.6
675.36151	0.9
697.34717	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	817.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03039	0.7
57.03322	14.3
59.01242	5.1
69.39028	0.4
70.98031	0.5
70.98368	0.8
71.01247	4.6
72.99158	2.2
75.00758	1.9
76.96555	0.4
83.01254	3.6
84.02052	3.3
85.02820	100.0
86.03138	2.0
86.41697	0.4
87.00728	1.0
89.02312	0.7
94.02827	0.4
96.95892	1.4
99.00762	0.8
101.02320	1.2
103.00247	1.3
105.03342	0.9
111.00761	14.2
112.01116	0.5
115.00221	1.0
119.85831	0.4
122.05989	1.7
129.01831	11.8
133.01350	0.8
133.02844	6.5
133.04965	1.4
134.03625	1.4
135.04405	0.5
137.02371	1.1
140.96126	0.4
145.01389	0.4
147.02887	16.8
148.03171	0.6
150.03120	0.7
152.07051	2.8
154.99701	2.0
163.02333	0.4
165.01834	1.2
165.05408	0.6
170.12323	0.3
173.00824	8.5
175.02306	0.4
177.01863	3.7
178.02611	1.7
179.03416	1.2
180.04173	1.0
181.04950	0.6
191.01900	58.9
191.31519	0.4
192.02328	1.8
195.06563	1.7
209.02959	5.0
209.11813	0.9
210.03278	0.4
211.13371	0.9
216.40135	0.3
225.07672	1.6
263.08350	0.5
278.10599	0.7
370.05298	0.6
403.92175	0.4
443.18713	0.5
487.18649	0.4
581.26361	0.9
619.23743	0.7
625.24866	2.5
641.26300	0.9
643.24158	0.9
675.26392	2.5
687.31067	0.4
799.27002	1.1
817.27539	4.8
818.28149	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	6.7
58.61371	1.0
59.01243	4.6
71.01237	2.6
71.57549	1.0
71.57975	1.4
78.23990	0.9
83.01288	1.4
85.02822	37.7
87.00720	1.1
89.02324	1.3
92.96857	1.0
93.03323	2.6
96.95910	2.2
99.04412	1.2
101.02341	1.2
109.02829	2.5
111.00751	4.8
120.04417	1.5
121.02845	2.6
129.01810	4.4
135.00764	2.6
136.01587	1.3
137.02330	4.6
139.03928	2.8
146.09720	1.0
147.02875	3.8
148.01526	1.2
149.02325	8.1
160.03810	1.1
163.00264	25.0
164.00943	1.1
169.06419	1.5
171.04428	2.1
173.00822	4.2
175.00247	3.0
176.01062	12.7
177.01747	1.5
191.00093	2.0
191.01897	21.5
197.05980	1.0
197.75955	1.0
204.00591	2.9
209.02969	16.2
211.03925	3.8
212.04214	1.0
213.05478	4.4
213.38997	1.0
215.03430	4.4
223.03911	1.3
227.03346	2.4
228.04109	1.5
229.04851	1.3
239.03546	3.3
240.04315	1.2
240.14919	1.1
241.04962	10.1
243.03017	1.8
255.02962	3.2
256.03656	6.3
257.04550	9.0
267.02985	9.1
268.03619	2.0
269.04572	2.4
270.01675	3.6
271.02335	2.8
283.02457	28.0
284.03094	6.7
285.04041	9.7
295.02386	2.9
309.14764	1.8
311.01993	7.7
312.02750	41.7
313.03510	100.0
314.03888	9.5
327.16086	3.1
403.15396	2.6
406.01749	2.0
406.06915	23.9
407.07654	28.3
408.07922	3.3
475.08774	17.8
476.09317	1.7
514.11121	1.1
517.09833	35.7
518.10205	4.7
569.12708	3.7
579.55566	1.1
581.26117	1.6
607.23352	3.0
611.14020	97.2
612.14374	15.3
625.24316	2.6
653.58038	1.1
676.05920	1.2
817.27783	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	815.499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	14.9
61.78270	2.8
71.01245	3.9
71.56156	3.2
78.95761	4.2
78.98500	7.0
79.95609	9.1
80.96394	50.6
89.13285	2.5
91.78651	3.1
94.97950	12.5
101.82566	3.0
104.92481	2.5
124.38058	2.8
134.97505	3.6
148.98975	3.4
152.98474	3.1
164.98531	7.5
187.48083	2.7
201.02440	4.0
217.00278	8.6
225.00697	7.9
277.21671	3.6
368.28894	3.1
756.87976	3.5
815.49756	100.0
816.50482	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	5.1
67.42294	1.4
71.01250	4.4
71.56742	1.9
73.02793	1.7
76.34108	1.4
76.72868	1.8
78.95770	20.8
79.95625	1.8
80.96406	3.4
83.04931	3.9
89.02317	1.9
96.96835	4.0
101.02281	2.7
108.81005	1.4
129.75771	1.5
152.99501	5.7
165.12695	1.9
171.10159	8.0
171.53979	1.4
209.11758	100.0
210.12148	5.9
225.11166	1.9
227.12825	13.6
235.08170	4.6
241.01186	11.8
253.09354	7.5
255.23236	12.7
256.23602	2.7
261.13235	2.0
267.50192	1.6
277.21692	81.1
278.22061	6.5
325.80627	1.6
445.20743	2.8
455.07013	1.9
678.49969	1.7
725.38922	3.6
779.40430	2.6
797.40814	19.6
798.41315	3.8
815.43530	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	815.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	9.9
61.98716	1.1
64.94222	0.8
65.07381	0.8
71.01247	4.1
71.57932	1.1
72.99163	1.0
75.00720	1.2
77.06857	1.1
78.95773	5.7
80.96387	1.4
83.25571	0.9
87.00741	1.2
88.03873	0.9
89.02290	2.3
101.02314	3.0
113.02327	1.5
121.22034	0.8
126.19131	0.8
129.62514	0.9
129.85173	0.8
152.99471	3.9
157.08566	2.1
161.04382	1.2
171.10155	2.1
183.01163	2.2
183.13815	6.1
193.12265	2.2
195.13788	6.8
196.14279	1.0
197.02756	1.9
201.11237	1.4
205.18642	1.0
211.13336	100.0
212.13689	5.5
223.13225	2.2
229.56462	0.9
235.08214	5.1
241.01016	1.9
245.04262	1.1
253.09291	15.0
255.23245	1.5
275.20016	5.1
277.21646	1.1
293.21225	64.0
294.21640	5.1
311.16818	3.9
325.18390	11.2
326.19003	1.4
380.31604	1.0
447.22467	10.5
481.25790	2.3
487.33618	1.0
529.30383	1.7
715.89343	1.0
797.40942	2.7
815.42346	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	815.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	4.3
71.57352	3.4
71.57735	5.8
78.95781	100.0
88.53582	3.2
96.96843	22.3
109.06482	4.2
117.43470	3.4
122.85239	4.5
125.09539	4.5
126.25338	3.0
152.99504	38.2
156.65820	3.5
166.03810	3.6
171.10187	50.8
199.09712	7.3
201.11363	8.1
207.10193	4.2
223.00157	10.0
225.11243	9.8
241.01160	36.5
255.23250	61.1
256.23734	3.7
277.21826	16.8
298.92307	3.4
315.04898	3.5
391.22656	6.6
518.83118	4.5
706.75165	3.8
725.38922	44.6
726.38837	7.8
797.40979	16.1
799.93744	4.5
815.43658	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	815.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	4.6
82.02863	12.5
85.02827	9.8
88.98681	3.1
93.03338	35.0
94.02250	4.5
94.02858	90.1
94.06496	5.4
96.04422	18.7
96.95851	3.7
98.19767	7.0
104.20113	2.5
106.06509	3.0
107.03646	5.2
108.02044	49.0
108.04413	15.5
109.02839	25.0
110.02354	3.6
110.05991	4.9
120.04517	2.6
120.08073	61.8
122.06010	42.3
124.03901	6.7
125.02309	17.0
132.04433	10.9
134.06035	5.2
136.03937	11.3
137.02364	9.9
138.05502	54.2
144.04492	3.2
146.02423	5.9
148.03961	6.5
148.07599	17.4
150.05524	12.7
152.03503	4.5
152.07082	75.4
153.07475	5.1
154.05011	10.7
158.02390	11.4
164.03371	4.7
164.07082	9.4
166.05011	4.3
168.06613	16.1
174.01923	4.4
176.03461	9.2
180.06604	6.4
190.05031	43.8
191.01981	5.4
192.06596	5.5
194.04507	12.3
196.06004	5.1
203.05865	4.5
204.02921	3.7
206.04561	4.5
212.10782	3.3
215.11702	5.3
223.08842	5.0
224.10693	3.8
226.08800	5.6
226.12340	48.4
227.12230	3.0
229.13388	5.1
229.62204	3.8
237.10310	10.8
240.10323	10.4
242.11902	5.1
249.06630	3.4
249.10361	3.2
251.08037	4.2
253.09735	4.7
253.13593	4.6
258.11346	3.2
261.12448	10.1
264.08969	4.7
265.09747	7.3
266.10541	3.8
267.11356	4.7
269.12888	3.2
270.11349	10.1
271.14471	17.7
277.06348	3.8
277.09702	5.7
279.07834	3.5
279.11359	16.2
281.09296	2.9
285.12564	5.7
286.10846	11.6
290.10495	2.6
291.11447	7.4
293.09409	5.2
295.10898	6.5
296.11594	5.0
297.12421	6.8
302.10376	3.8
303.13538	8.2
309.08685	6.7
311.10336	8.3
313.12033	4.4
323.06796	3.1
323.10446	8.5
325.11890	8.1
326.12756	10.5
327.09924	5.7
337.15265	4.1
339.09839	11.9
340.10660	5.7
341.11389	19.3
342.12115	3.1
343.12872	12.7
353.11404	18.4
354.11923	4.1
355.09399	4.9
355.12967	100.0
356.13565	13.2
367.16666	8.8
369.10962	22.6
370.11612	14.1
371.12338	21.0
379.16522	6.1
381.14587	12.4
387.12018	12.6
388.12750	6.6
399.15497	3.6
423.15482	7.3
425.16953	5.2
441.16730	13.1
442.51233	3.0
459.17944	3.8
460.18372	3.5
488.18039	10.6
504.17636	4.1
520.20892	60.9
521.21143	8.2
536.20209	6.5
562.78400	3.1
594.35059	3.5
627.25745	3.1
676.26801	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	813.4407
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02719	1.2
66.81406	1.2
69.38197	13.2
71.01262	1.5
78.95771	87.3
80.02536	1.7
80.96390	10.0
81.03326	2.7
83.04903	4.5
88.98688	1.3
94.97984	2.4
96.96844	15.9
133.76213	1.4
152.98451	2.0
152.99489	19.4
163.11212	8.3
165.12758	4.8
207.80199	1.4
209.11757	83.8
210.12070	4.5
223.00072	6.1
225.00591	2.4
227.12854	4.7
241.01152	34.9
242.01511	1.7
255.20662	2.9
255.23277	51.5
256.23596	4.6
259.02350	2.9
277.21790	1.5
279.45074	1.4
342.47180	1.7
391.22665	2.0
408.40710	1.5
553.27808	2.1
709.38495	3.4
781.41248	6.9
813.43939	100.0
814.44232	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.4
59.01249	15.9
60.77347	1.0
61.98698	4.3
63.56826	1.1
69.03329	1.4
71.01243	7.6
72.99187	1.8
73.02805	2.1
73.06643	1.0
78.95782	2.5
80.96392	2.8
82.04100	1.2
83.04885	2.4
85.02831	3.9
87.00730	1.6
89.02301	3.8
89.30244	1.3
95.01237	1.8
96.95879	4.1
97.02824	9.9
97.06462	2.0
97.38195	1.4
98.03146	1.2
99.00747	13.6
100.01156	1.1
101.02312	5.9
109.06472	2.9
111.00686	1.2
111.08022	4.5
113.02329	4.3
114.14567	1.1
116.92747	1.4
119.03403	1.2
121.60944	1.1
123.08059	1.2
125.09631	6.3
131.64624	1.5
135.07993	2.1
142.02635	2.5
151.11185	1.9
153.12642	1.9
161.04488	1.5
161.09578	1.8
163.11211	8.4
165.12738	2.5
169.12271	3.3
171.10170	5.9
179.10654	2.3
181.12277	18.4
185.11806	1.4
197.11763	26.2
199.13300	5.1
207.10197	46.6
208.10561	1.9
209.11748	11.9
211.13460	6.2
223.09624	2.0
223.13348	2.5
225.11278	100.0
226.11575	6.5
227.12869	10.5
235.08145	3.4
243.12338	13.8
253.09236	9.4
255.79477	1.1
283.13773	1.4
289.18079	4.6
291.19672	19.8
292.19977	2.3
293.21347	5.6
297.15576	1.4
307.19070	3.5
309.20712	50.2
310.07559	1.2
310.20996	3.6
396.00281	1.2
439.00598	1.5
443.19217	1.6
461.20279	33.9
462.20700	3.1
735.39667	2.1
753.40631	38.4
754.41144	7.4
813.37280	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	813.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	2.1
61.29754	0.8
63.81587	0.8
69.04364	0.8
72.99151	0.8
75.00750	1.0
82.02863	1.8
93.03342	22.1
93.90345	1.0
94.02858	13.4
94.03461	1.1
94.06508	5.1
96.95885	1.4
98.19906	3.0
104.04961	0.8
106.06533	1.9
107.03651	10.0
108.04418	1.4
120.04401	2.0
120.08060	1.9
122.06007	60.2
123.06307	1.8
124.07536	1.1
127.91588	0.8
133.04922	4.4
133.87454	0.8
134.06012	7.7
138.05493	3.2
139.02646	2.6
150.05508	3.0
152.07076	100.0
153.07405	2.8
161.83061	0.7
168.60632	0.8
187.11169	1.1
189.89407	0.8
195.03920	0.7
234.07939	1.0
235.08685	3.7
237.10333	3.1
247.08649	2.0
248.09482	3.0
249.06642	1.8
249.07658	1.2
249.10281	12.3
250.07185	1.4
250.11018	3.1
251.11931	2.2
254.28853	0.8
261.10330	2.5
262.07455	6.4
262.09915	0.8
263.08218	20.9
263.11459	1.2
264.08984	3.3
265.09845	3.1
275.08188	5.9
276.09000	3.9
277.09814	36.1
278.10583	43.5
279.11285	10.5
281.09393	0.9
289.09805	3.4
290.10590	9.0
291.11377	10.0
292.11737	1.0
322.09564	3.4
323.10129	0.8
341.12851	1.0
343.14481	1.9
356.11490	6.3
369.12268	1.6
371.13971	18.5
372.14108	2.5
374.15112	2.1
383.13879	9.9
384.17715	1.0
386.15152	1.9
397.92130	0.9
398.14801	1.4
410.14789	1.1
413.17566	2.1
414.18509	1.8
415.13138	2.4
415.18967	2.6
424.16736	1.2
425.17310	1.0
428.16104	2.8
442.17612	6.7
443.18457	14.1
444.18835	2.6
455.08252	0.9
459.18115	1.2
469.16541	1.1
474.20419	1.8
475.20999	1.1
486.16531	1.3
487.17474	14.7
488.18079	2.5
508.22217	1.3
520.19977	1.2
536.21985	8.0
539.23108	4.4
568.24817	4.7
580.20898	85.3
581.21100	12.0
599.25311	2.4
612.23431	53.3
613.23706	5.7
615.24146	1.5
625.22693	2.5
631.27722	1.7
633.25208	1.5
643.24097	36.9
644.24872	4.9
657.25409	3.8
675.26672	39.8
676.26825	4.9
749.28320	2.0
781.31097	1.3
782.30615	0.9
791.87579	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.8
58.00454	1.1
59.01249	17.9
62.83393	0.5
70.14965	1.1
71.01254	10.0
72.99174	15.6
75.00742	16.7
83.01271	1.6
85.02825	3.1
87.00752	0.6
89.02317	6.5
95.01273	0.7
95.04914	0.4
95.96338	0.4
96.95860	0.9
101.02309	4.5
107.04900	1.0
111.00699	0.5
113.02346	2.4
119.03374	2.2
119.28835	0.4
122.06004	0.7
123.04411	1.8
128.03386	1.2
133.04958	100.0
134.05283	2.4
149.06023	0.7
152.07089	0.7
157.06567	0.6
161.04488	0.6
161.05869	0.4
161.13264	1.3
179.05576	1.0
187.11203	7.4
205.12274	2.0
229.12334	1.0
231.10233	0.7
234.56915	0.4
249.11270	1.7
270.49551	0.5
273.11273	0.6
306.07666	1.0
315.12189	0.4
346.90543	0.5
393.15518	2.1
411.16937	0.4
501.26752	0.5
573.21552	0.8
575.21405	0.5
633.25476	19.3
634.25647	2.1
755.27533	0.6
813.31635	12.9
814.31775	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	813.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00472	1.0
59.01251	13.3
69.40387	3.1
71.01249	8.0
72.99179	12.0
73.99475	0.4
75.00745	15.8
83.01272	0.8
85.02835	2.0
87.00754	0.6
88.07629	0.3
89.02308	6.4
93.03317	0.5
95.01246	0.7
96.95872	0.4
101.02321	3.8
111.00815	0.3
113.02307	2.8
119.03365	2.1
121.67171	0.3
123.04404	1.6
131.03432	0.4
131.07942	0.4
133.04961	100.0
134.05281	2.5
143.03459	0.6
152.07118	0.5
157.06506	0.5
161.04446	0.5
161.09570	0.5
161.13249	1.6
179.05580	1.0
187.11206	10.0
187.12837	0.7
188.11641	0.4
190.05035	0.4
205.12209	2.3
229.12360	1.6
231.10269	1.0
247.13461	0.7
249.11192	1.7
315.12231	0.5
333.13293	0.4
355.12912	1.1
393.15634	1.3
407.98181	0.4
411.16537	0.4
425.17529	0.5
462.88690	0.4
517.20496	0.6
573.21979	1.3
575.21881	0.9
633.25470	14.0
634.25775	2.1
792.42236	0.4
813.31995	8.4
814.32465	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	813.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.6
71.01264	0.5
71.57876	0.1
72.99185	0.2
73.02837	0.1
75.00741	0.2
79.95608	3.1
79.96084	0.2
85.02827	0.3
87.00735	0.1
89.02351	0.3
96.95889	100.0
97.95799	0.3
101.02341	0.3
105.09628	0.1
109.02842	0.1
113.02353	0.1
126.99451	0.1
133.01277	0.1
133.04979	0.9
134.05307	0.2
134.89349	0.1
163.00342	0.2
209.11801	0.1
229.14468	0.2
231.14999	0.1
239.13498	0.1
267.02924	0.1
283.02493	0.2
300.08963	0.1
312.02991	0.2
313.03448	0.3
366.23129	0.1
406.06940	0.2
580.31348	0.2
581.30774	0.6
582.31146	0.8
583.30963	0.2
715.19135	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5444
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33792	0.2
59.01229	0.3
69.24383	1.8
69.24794	0.8
78.95778	4.5
80.02541	0.3
81.03326	0.5
126.54962	0.2
146.45123	0.3
149.09590	0.4
152.99469	1.4
156.63797	0.3
165.12717	0.3
168.04221	1.0
179.14336	0.4
181.15855	0.7
191.14130	0.3
221.15495	0.3
224.06876	0.5
225.14897	1.1
242.07965	1.7
246.42267	0.3
249.22206	0.9
274.15634	0.2
275.20206	1.2
279.23288	69.9
280.23599	5.1
281.23993	0.3
291.19653	0.7
292.19980	0.7
293.21222	100.0
294.21558	7.0
294.24744	0.5
309.32855	0.2
504.30969	27.7
505.31177	3.1
660.91315	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	1.5
57.62724	0.7
59.01254	13.2
60.62994	0.7
61.98698	1.1
66.44285	0.7
69.03342	3.5
71.01257	6.3
71.04898	1.0
71.57233	1.1
73.02823	1.1
74.60493	0.8
78.95763	1.5
81.03322	1.2
83.01277	0.9
83.04902	2.6
83.41656	0.7
85.02838	1.8
87.00751	2.2
88.03917	33.8
89.02313	3.0
89.80059	0.7
94.95834	0.8
96.95871	1.9
97.02824	4.2
97.06458	1.2
98.61945	0.8
101.02318	5.2
109.06445	1.0
111.08039	6.0
113.02312	3.7
116.92740	1.9
119.03368	1.4
125.02349	0.7
125.09636	1.1
126.90317	1.1
131.03268	0.7
137.09663	1.0
145.04834	1.0
153.12683	0.9
161.04506	1.8
163.11165	2.0
165.12749	3.4
167.10710	2.6
169.12248	2.0
171.10217	3.6
177.12778	1.7
179.05544	1.0
179.10730	1.1
179.14314	3.8
181.12213	1.5
195.13858	11.4
196.14133	0.8
197.09943	1.4
197.11769	24.0
197.13531	1.5
198.12056	1.3
199.13350	1.9
205.12247	9.5
207.10204	2.2
209.11777	23.1
211.13364	3.5
215.68459	0.7
223.13356	100.0
224.13617	5.2
225.09282	0.8
225.11229	3.6
227.12798	5.5
235.08176	10.3
247.20538	1.6
253.09267	16.3
254.09473	1.0
263.20221	1.6
265.18045	1.0
273.18542	1.1
277.21713	33.8
291.07190	0.7
291.19696	20.9
292.20209	1.3
293.21121	0.8
297.14960	0.9
307.19089	1.0
309.20697	54.1
310.21024	4.1
311.17053	1.3
445.20786	1.3
459.22397	15.1
460.22842	0.9
461.20743	1.2
510.23071	0.8
513.30707	1.2
515.33875	1.2
516.33136	0.9
527.28729	1.7
545.29578	3.4
718.77112	0.8
751.42059	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	809.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88703	0.7
59.01244	2.0
69.04296	0.8
70.23525	3.2
71.01272	0.8
78.95770	1.5
82.28596	0.8
86.35038	0.8
88.38036	0.7
98.20432	1.2
111.05495	0.7
113.09635	1.6
123.79334	0.9
152.99498	0.9
195.13858	12.0
202.98245	0.8
277.21686	18.6
278.21985	2.5
295.22781	100.0
296.23129	8.2
542.19336	0.9
596.17621	1.0
785.51080	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.6
59.01252	22.5
71.01249	8.9
71.04925	1.8
71.57930	2.2
78.95779	3.4
80.96375	1.7
81.03348	1.6
83.01268	3.8
83.04894	2.2
85.02814	1.8
87.00769	3.8
88.03875	2.4
89.02321	5.6
95.04919	3.2
95.30381	1.5
96.95898	4.1
97.02827	9.7
97.06477	5.7
99.00754	14.2
101.02301	7.0
110.03623	2.1
113.02339	3.0
121.06452	1.6
123.04423	2.8
123.08015	1.8
125.02345	1.7
125.09596	9.4
135.08034	2.3
137.09651	4.8
142.02591	3.1
149.05917	2.3
149.12868	1.7
157.93201	1.2
161.04488	1.4
161.09663	2.4
163.11157	12.9
165.12805	1.7
171.10245	2.3
179.10663	2.1
181.12270	19.0
185.11748	9.1
191.14374	5.7
195.13884	2.4
197.11803	3.5
205.12323	1.6
207.10196	52.3
208.10632	2.0
209.11801	21.7
211.13425	9.5
223.13368	16.5
225.11281	100.0
226.11629	8.0
235.08165	2.9
237.11458	2.2
243.12296	12.6
245.19110	10.4
249.10880	1.7
253.09227	8.1
263.20215	2.6
271.17038	1.5
277.21863	3.7
286.72385	1.5
289.18082	46.7
290.18506	2.0
291.19748	7.5
297.15256	2.1
303.19739	2.7
307.19141	38.9
308.19434	2.3
309.20667	4.5
332.26767	1.5
357.04095	1.3
373.23932	3.0
391.25003	2.6
443.18976	3.0
459.22415	2.4
461.20276	27.5
462.20770	1.9
489.32278	1.6
539.73749	1.5
653.31610	8.8
654.32019	2.5
733.38806	2.2
751.39124	22.5
752.39453	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	809.454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.9
58.00454	1.7
59.01249	31.8
71.01251	28.2
72.99182	1.4
73.02813	3.8
75.07672	0.3
83.01265	2.1
85.02341	0.6
85.02824	8.9
87.00739	1.2
89.02314	19.2
95.01280	2.1
96.95853	0.6
97.02834	0.5
98.19767	0.9
99.00743	2.1
101.02316	17.3
111.00760	0.6
113.02325	11.4
119.03382	7.7
125.09645	0.8
126.99464	2.0
127.11166	1.3
129.01802	0.8
131.03400	0.5
143.03375	1.1
149.04480	0.3
155.14288	0.6
159.02953	0.8
161.04442	4.4
167.14346	0.5
171.10179	1.5
179.05537	2.9
183.13846	0.7
209.11765	1.4
211.13336	3.1
229.14407	30.5
229.77238	0.4
230.14803	1.9
340.66611	0.4
362.50275	0.4
389.57504	0.4
417.24915	8.8
418.25259	1.1
478.38501	0.4
579.30170	100.0
580.30511	14.4
644.89355	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.432
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.2
58.03710	1.3
59.01249	33.2
61.14496	1.5
69.03320	5.0
71.01250	9.0
72.99174	1.5
77.56439	1.2
78.95773	3.0
81.03309	2.2
83.01233	2.4
83.04891	3.1
88.55963	1.3
89.02316	5.0
95.04884	3.5
97.02830	1.7
97.06477	4.5
98.19756	4.8
101.02313	6.2
109.06488	1.7
113.02335	4.1
123.04387	2.3
125.09595	6.0
129.26416	1.4
137.09633	2.5
149.09692	2.0
152.99554	1.8
160.34608	1.4
163.11180	6.0
167.10617	3.2
179.10681	2.0
179.14323	3.8
185.11780	10.5
191.10699	2.0
191.14359	8.3
195.13831	10.6
197.02684	4.4
205.12245	10.8
207.10149	4.2
209.11729	17.8
223.13339	100.0
224.13646	4.5
225.11212	3.4
235.08215	6.5
237.11273	2.4
245.19107	13.0
253.09244	15.6
263.20108	2.6
271.16913	2.1
277.21759	3.4
289.18091	66.1
290.18393	4.6
295.22794	2.1
307.19128	58.4
308.19452	3.6
311.16824	2.4
325.18369	20.1
326.18680	5.3
327.18286	5.1
459.22189	4.2
485.44748	1.7
513.32172	2.3
525.26990	2.5
543.28241	2.9
633.32507	7.9
634.33307	2.2
713.39679	3.6
749.41119	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	809.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.8
59.01249	21.1
69.03316	2.3
70.81848	2.2
70.82180	1.2
71.01244	7.0
71.04916	1.0
77.28595	0.9
78.95781	2.5
81.03337	2.1
83.01231	1.1
83.04881	1.3
85.02821	1.6
86.05163	1.0
87.00762	1.4
89.02302	2.2
89.40083	1.0
97.02868	1.4
97.06458	2.9
101.02325	4.2
109.06461	1.4
113.02323	2.7
116.92753	2.1
119.03410	1.2
123.04430	1.4
123.41735	1.0
125.02239	1.1
125.09628	4.7
137.09596	1.1
152.99477	2.9
163.11201	3.2
167.10722	3.4
177.12680	1.1
179.10751	2.2
179.14372	2.7
183.01231	1.3
185.11792	3.8
191.14320	2.1
195.13852	10.9
197.02733	2.4
204.04454	1.2
205.12259	10.9
207.10223	2.1
209.11783	9.1
211.13326	1.7
215.66663	1.2
223.13339	100.0
224.13696	4.6
225.11284	2.9
226.07780	1.4
230.84868	1.0
234.86131	1.1
235.08156	4.9
237.11018	1.3
245.04320	1.9
245.19038	6.5
253.09299	11.7
263.20178	1.4
277.21539	2.3
289.18082	32.0
290.18500	2.4
307.19150	30.3
308.19681	2.0
311.16824	1.4
312.16983	1.4
325.18387	10.1
326.18732	3.4
327.18335	1.8
415.24716	2.2
442.34351	1.2
459.22437	9.5
460.22552	1.3
481.25394	2.6
482.25983	1.3
513.32239	2.9
633.33240	5.4
634.33496	1.2
651.33771	1.5
731.40106	1.4
749.39801	1.8
810.43176	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	809.418
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60400	0.5
59.01255	5.5
61.02801	1.3
62.16199	0.6
62.87809	0.5
64.27364	0.6
67.56406	0.6
67.68840	0.6
71.01252	2.4
71.15684	0.9
72.99184	14.7
75.00747	10.4
77.28973	0.6
78.95757	0.8
87.00760	0.7
87.04420	1.0
89.02316	0.7
103.50981	0.6
105.01794	2.2
115.00257	1.8
131.03389	1.3
131.04462	0.7
132.94557	1.1
133.01358	7.2
133.04965	100.0
134.05327	1.7
172.97896	0.6
257.76569	0.6
277.21863	0.9
291.19852	0.9
309.93954	0.7
355.21283	0.5
374.37253	0.7
380.80063	0.6
483.11230	0.7
669.92261	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.7
61.02818	1.1
71.01242	1.2
72.99182	14.9
75.00746	9.9
78.95797	0.4
79.87181	0.2
87.00753	0.6
87.04391	0.9
89.02329	0.6
105.01778	1.2
111.00731	0.2
115.00272	0.9
128.12477	0.2
131.03419	0.6
131.04582	0.2
133.01355	4.2
133.04962	100.0
134.05290	1.8
149.98444	0.2
184.71236	0.2
185.12535	0.2
215.32660	0.2
229.34215	0.3
268.63541	0.2
277.21613	0.2
289.06189	0.2
457.36288	0.2
604.80573	0.2
700.37677	0.3
717.49078	0.2
758.32629	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.41
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	8.4
59.01240	24.0
61.25772	4.8
61.98703	10.3
67.48866	3.9
69.42420	29.1
71.01254	13.7
72.99191	5.7
73.12145	4.2
75.00745	4.6
78.95770	8.0
79.95625	4.1
80.96397	7.3
83.01237	6.2
85.02820	83.2
96.95877	23.9
96.96790	5.0
98.19756	7.3
101.02334	12.9
111.00705	5.2
116.92744	11.9
129.01797	11.9
133.04970	5.5
137.09775	5.2
147.02858	10.3
168.90771	4.3
171.10146	13.3
185.46939	4.3
191.01918	40.4
195.14035	4.0
197.11748	23.5
201.11253	59.2
209.02963	6.1
209.11746	88.9
210.12099	8.1
211.13354	6.3
225.11267	8.1
227.12891	28.8
235.08167	13.4
253.09222	49.6
269.12234	6.3
291.19598	31.1
293.21121	7.7
309.20724	100.0
310.21072	6.6
437.20065	5.6
445.21030	11.3
493.30969	4.7
527.28906	7.4
545.29639	15.4
729.40576	9.3
755.42181	7.8
809.40894	49.3
810.40271	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	809.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.9
71.01230	0.6
73.02834	0.1
80.94423	0.1
83.01260	0.1
85.02850	0.2
89.02318	0.8
91.01780	0.2
98.20543	0.2
101.02330	0.4
101.40099	0.1
113.02336	0.3
119.03412	0.4
126.99455	100.0
127.99794	2.4
128.00696	0.1
128.99149	0.7
142.19452	0.1
161.04480	0.3
170.70987	0.1
179.05504	0.4
201.11288	0.1
209.11758	0.1
211.01718	0.1
224.09683	0.1
331.05884	2.2
332.06287	0.1
433.24350	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.0
70.01319	1.1
78.95775	5.8
83.04906	0.2
86.41772	0.2
87.34933	0.2
97.06487	0.3
98.20473	0.2
98.38425	0.2
119.04927	0.5
122.35724	0.2
125.05984	0.5
127.07466	0.4
128.48865	0.2
131.98581	0.2
135.21568	0.2
135.35275	0.2
141.09038	0.3
148.08852	1.2
149.09566	0.3
150.10393	1.0
151.11128	0.7
152.99496	1.6
163.11201	1.1
165.12766	22.0
166.13120	0.8
168.04192	1.0
175.11212	0.5
176.11906	0.5
177.12802	0.4
179.14392	0.4
191.14282	0.5
196.30270	0.3
217.15945	0.6
224.06860	0.7
229.19644	0.3
242.07904	2.0
247.20639	10.8
248.20982	0.7
271.76675	0.3
273.18622	6.3
274.18942	0.5
275.20081	0.5
277.21713	70.0
278.22046	4.3
291.19650	100.0
292.19971	6.1
437.85464	0.3
502.29395	30.4
503.29736	2.9
526.98578	0.3
625.16687	0.3
769.23529	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.5264
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.4
59.01255	1.1
62.57037	0.2
63.43925	0.2
69.03319	0.3
71.01266	0.7
71.04896	0.3
81.03303	0.3
81.39648	0.2
97.06530	0.2
101.02357	0.4
111.08082	0.2
121.42824	0.2
123.08045	0.9
125.09581	0.3
135.71318	0.3
141.09116	10.8
142.09447	0.4
144.43497	0.3
151.11177	0.6
169.08650	2.0
193.12309	0.3
221.15334	0.4
225.14859	0.5
230.06062	0.3
231.21111	0.5
235.08081	0.2
249.22160	1.5
253.09317	1.8
275.20160	3.4
277.21710	9.7
278.22031	0.8
291.19498	1.4
292.19952	1.1
293.21225	100.0
294.21555	8.6
534.10071	0.2
749.45697	0.3
816.25623	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.5256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.1
59.01246	11.3
71.01251	7.9
71.17274	1.0
73.02811	1.4
78.95778	0.7
80.96394	2.0
81.03329	0.5
81.65066	0.5
83.01253	1.2
83.04860	0.5
85.02820	1.7
87.00767	1.9
89.02316	6.3
95.01257	0.8
97.02790	1.0
99.00748	0.6
100.67090	0.5
101.02325	7.8
113.02316	3.5
113.09570	1.3
119.03378	2.4
125.02328	1.9
125.09597	0.7
125.67691	0.5
143.03369	0.8
159.10136	0.5
161.04489	2.7
171.10172	26.9
172.10524	1.4
179.05527	1.9
179.14349	0.8
195.13829	17.8
196.14235	1.5
223.13354	3.0
235.08084	2.5
253.09244	23.7
255.23257	17.7
256.13272	0.8
256.23587	1.3
275.20175	4.6
277.21719	13.2
278.22012	2.1
287.07639	0.6
293.21225	69.3
294.21594	6.7
295.22769	100.0
296.23093	9.4
305.08759	0.7
358.81137	0.7
377.51819	0.5
379.12451	3.5
390.87537	0.5
397.13535	13.0
398.14090	1.0
415.14511	2.3
529.31116	0.6
531.31799	0.7
571.43604	4.3
572.44006	0.7
807.43134	1.9
808.43793	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4744
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.7
58.00465	0.8
59.01249	16.2
61.89072	0.3
68.99667	0.3
69.03324	1.1
71.01250	18.0
72.99170	1.3
73.02809	3.1
75.00751	0.5
78.85054	0.3
78.95771	0.3
80.96394	0.7
81.03333	1.1
83.01258	1.8
85.02823	3.7
87.00751	5.3
89.02315	14.2
90.02651	0.3
91.03868	0.3
93.03318	0.4
95.01267	1.3
97.02820	3.8
98.20530	0.7
99.00761	1.3
99.96486	0.2
101.02318	13.8
102.02656	0.4
109.02834	0.5
111.00751	0.3
111.04404	0.7
113.02327	7.9
114.02575	0.3
115.03853	0.4
117.98363	0.3
119.03391	4.0
121.02847	0.3
123.83427	0.3
124.01512	0.4
125.02332	8.6
125.09589	0.9
126.02625	0.3
127.03822	0.3
127.11160	2.4
131.03349	0.5
133.04933	0.5
139.03860	0.5
143.03423	3.1
149.04401	0.6
153.09067	0.4
161.04456	3.7
167.03328	0.3
171.10175	100.0
172.09131	0.4
172.10527	5.1
179.05522	3.6
199.06009	1.0
217.07138	1.4
219.04977	0.4
221.06631	1.0
235.08180	6.8
245.06696	0.3
253.09201	0.9
255.23254	68.4
256.23627	5.7
259.08176	1.0
269.06656	0.3
269.24930	0.9
287.07748	2.1
288.08142	0.3
295.22833	0.5
297.24429	0.4
301.09161	0.6
305.08759	2.0
323.09842	1.2
361.11417	0.6
364.92847	0.3
379.12421	12.9
380.12781	1.0
397.13489	39.7
398.13858	3.2
415.14520	8.6
416.14954	0.6
459.18668	0.3
551.23303	1.0
569.24304	0.4
635.36053	0.8
653.37708	1.7
807.43884	0.6
808.44244	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86819	0.2
59.01223	0.2
61.86913	0.2
61.98696	0.3
69.34086	0.2
69.91833	1.1
71.01252	0.2
78.95770	8.8
79.95618	0.7
80.96405	1.1
93.58102	0.2
96.36676	0.2
96.96831	0.9
98.20586	0.2
112.41766	0.2
118.26443	0.2
150.98018	0.2
152.99486	16.8
153.99780	0.3
155.50980	0.2
170.00357	0.6
171.00543	3.7
183.01123	9.9
184.01895	1.4
197.02695	14.5
198.03450	1.5
211.04266	0.5
216.01060	1.1
225.00703	0.4
227.03105	1.4
230.02513	2.2
245.04286	24.3
246.04698	0.6
253.21698	12.0
254.21986	0.7
277.21753	0.4
290.79486	0.2
325.18402	100.0
326.18753	7.9
481.25693	47.3
482.26056	4.3
563.61798	0.2
807.42261	1.0
808.43170	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88364	7.0
59.01236	28.2
61.98677	17.2
65.74517	7.7
65.75111	7.6
71.01267	11.9
78.95761	32.1
79.95579	10.8
80.96379	29.1
85.02837	14.1
90.41880	7.8
96.95901	22.1
98.19732	18.1
101.02339	8.3
111.00714	10.3
152.99446	13.4
155.57388	7.3
171.10172	20.5
179.10393	8.0
209.11797	100.0
211.13362	11.5
223.13335	30.3
227.12956	12.9
240.25798	7.5
253.09186	28.5
291.19778	10.2
293.21198	89.4
297.15305	11.4
307.19128	8.2
311.16965	9.8
409.74979	10.0
418.21841	8.2
437.33786	7.7
441.03525	9.9
467.05881	8.4
807.42285	62.0
808.42517	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	807.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	1.7
59.01250	100.0
61.98679	2.3
69.03324	1.4
70.32956	2.4
71.01251	29.4
72.99181	1.9
73.02811	7.1
75.00742	2.0
77.09888	0.8
78.75291	1.0
78.95764	3.5
79.95586	1.6
80.96380	3.1
81.03325	1.2
83.01250	5.4
83.04900	1.1
83.91026	0.9
85.02816	17.3
85.99979	1.5
87.00750	3.2
89.02305	3.4
95.01234	3.8
96.95891	4.7
97.02821	3.6
99.00729	4.5
101.02327	16.3
111.00755	5.1
111.79319	0.8
112.01525	1.5
113.02325	16.4
119.03326	1.4
123.00766	1.2
124.01562	4.1
125.02338	8.7
129.01785	1.6
143.03412	4.9
152.99527	1.2
159.02815	1.1
161.04437	4.0
161.05908	2.4
163.07524	1.0
171.10159	4.7
173.00902	1.3
197.11708	1.6
199.09737	1.8
201.11270	2.6
207.10136	2.0
209.11746	3.3
225.11296	4.1
231.23601	1.1
233.34108	1.0
235.08168	1.1
253.09319	4.7
254.75529	1.4
291.19595	2.4
309.20694	7.0
340.20868	0.9
402.40952	1.1
455.33826	4.3
473.34897	5.3
563.35999	2.0
581.36865	2.4
599.38025	18.0
600.38422	1.8
603.87311	1.0
617.39026	57.1
618.39606	8.6
635.40204	19.0
636.40344	3.0
659.40088	9.8
660.41052	1.3
677.41278	19.7
678.41138	5.0
727.38489	3.2
753.40125	2.2
807.37762	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	807.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.4
57.34700	0.4
59.01250	100.0
60.01581	0.9
71.01254	10.4
71.57320	0.5
71.57722	0.6
72.99212	0.4
73.02827	3.8
75.00737	0.5
76.14590	0.4
83.01283	1.8
85.02821	5.6
89.02320	2.3
95.01260	0.8
99.00718	0.9
101.02316	7.7
113.02341	5.0
119.03421	0.6
125.02317	0.4
142.13846	0.4
143.03423	0.6
159.02972	1.0
161.04485	5.0
175.57913	0.4
179.05630	0.7
208.49492	0.4
269.10291	10.6
269.13101	0.5
270.10693	0.8
289.20197	0.8
291.17172	1.1
311.11346	10.5
350.85254	0.4
451.25470	10.3
452.25970	0.6
709.72845	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.7
59.01247	2.0
62.92916	0.3
71.01247	0.5
71.04891	3.0
78.95779	0.9
83.04900	0.5
93.03374	0.4
95.04886	0.6
97.06472	1.1
98.20535	1.1
101.02280	0.4
109.06470	0.4
111.08047	6.8
113.09653	0.5
123.08059	0.3
126.90265	0.8
127.00037	0.5
128.03429	0.4
137.09622	0.6
141.09033	0.3
149.09607	0.5
152.99509	0.6
167.10669	1.4
177.12762	1.2
179.10703	1.5
195.13858	5.1
207.13867	0.4
219.13921	0.5
235.16992	0.4
241.90251	0.3
247.20587	2.3
253.09251	1.5
273.18597	1.1
277.21722	8.0
278.22110	0.6
291.19659	100.0
292.20013	6.2
451.79230	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44148	0.1
57.03312	0.4
59.00945	0.2
59.01245	3.2
67.14439	0.1
69.03307	0.3
71.00883	0.2
71.01251	2.5
71.57944	0.2
72.99160	0.1
73.02819	0.4
78.95772	0.3
80.96384	0.6
83.01277	0.2
83.04904	0.2
84.14862	0.1
85.02836	0.7
87.00751	0.5
89.02309	2.0
90.42355	0.1
91.03883	0.1
95.01266	0.2
95.04890	0.2
101.02316	2.5
111.08047	0.4
113.02328	1.4
113.09566	0.2
119.03386	0.6
121.10120	0.5
131.03342	0.2
141.08978	0.1
143.03381	0.2
152.99486	0.3
161.04439	1.4
167.10672	0.4
171.10182	2.0
177.12825	0.3
179.05479	0.4
179.14314	0.6
181.12242	0.4
183.10010	0.1
186.99983	0.1
195.13835	8.2
196.14331	0.7
204.94348	0.1
205.12291	0.8
205.15868	0.4
211.13312	0.6
223.13341	5.5
224.13791	0.4
225.14807	0.2
228.13660	1.0
231.21130	0.3
235.08194	1.0
239.12904	0.1
249.22104	0.3
253.09253	16.2
254.09647	0.5
256.13141	1.0
265.21704	0.6
275.20148	7.0
276.20502	0.4
277.21722	0.6
291.19730	0.2
293.21210	100.0
294.21548	7.6
304.42801	0.2
309.20798	0.4
370.82529	0.1
397.13583	0.1
402.58786	0.1
492.22137	0.3
511.28302	0.1
519.42542	0.1
529.30597	0.7
569.41956	1.0
805.41864	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.8
59.01245	2.1
61.98681	1.6
63.96099	2.4
69.03310	0.9
69.92620	3.1
71.01251	9.5
71.04898	3.3
73.02808	2.2
78.95781	1.1
78.98462	6.8
79.95599	17.2
80.96388	100.0
81.03333	1.6
81.96354	0.6
82.95973	0.5
85.02830	4.2
87.00744	2.8
94.97956	19.9
96.95909	2.8
97.02822	1.9
97.06502	0.8
99.00773	0.9
101.02338	3.5
106.97970	4.0
107.89762	0.7
111.08034	1.2
122.97489	4.0
125.02315	2.9
127.03876	0.8
129.47359	0.5
134.97458	5.8
136.99020	1.3
148.99033	8.2
152.98517	6.6
152.99541	0.8
164.98543	14.5
171.10168	0.5
182.99658	0.6
188.98521	0.9
195.13805	1.1
197.02728	1.0
201.11232	1.6
206.99615	3.6
209.11777	1.2
225.00687	24.7
226.00873	0.7
235.16882	0.6
247.20811	0.9
273.18375	0.6
277.21716	3.6
291.19647	40.8
292.20035	1.9
293.20959	0.7
325.18243	2.7
463.41284	0.7
483.15295	1.5
527.17712	1.0
559.25848	1.6
761.37750	4.0
762.38000	0.9
787.39496	1.0
805.40442	87.4
806.40833	16.9
833.05884	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.6
85.02779	1.4
93.03339	23.9
93.41045	1.0
96.95884	11.2
103.25717	1.2
123.04382	1.1
133.02820	1.2
134.03787	0.9
137.99159	1.2
171.04407	1.8
174.42274	1.2
181.06538	1.7
183.04355	1.1
195.04453	1.3
197.05998	2.9
199.03931	6.3
201.05447	1.3
209.06027	2.2
209.11848	1.2
223.04053	1.2
224.04742	1.5
225.05493	5.2
227.03627	1.4
235.13628	1.1
237.05498	3.4
239.03494	7.1
240.04092	2.5
241.05035	2.2
253.04976	5.5
254.05656	1.3
267.03171	1.4
268.03632	3.6
269.04535	7.9
281.04529	22.1
282.05179	1.5
296.03268	3.2
301.08804	1.4
309.03842	3.1
317.08286	3.6
319.09613	2.1
329.08160	2.4
330.08801	1.7
331.05838	1.3
331.09799	2.1
332.06952	1.3
333.07651	20.0
334.08038	1.8
345.07681	10.3
346.08167	2.4
347.09167	4.5
361.07080	4.0
373.07117	14.7
374.07883	6.3
375.08755	7.2
391.08511	1.5
401.06680	4.5
402.07489	17.3
403.08170	32.8
404.08469	2.7
439.11856	62.0
440.12296	8.0
467.11169	14.4
468.11789	7.3
496.11682	20.0
497.12369	26.8
498.12665	2.2
500.54718	1.0
548.95282	1.2
711.19269	38.3
712.19659	6.5
805.23468	100.0
806.23737	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.1
59.01240	5.5
61.30969	0.4
61.98688	0.6
66.99342	0.5
68.31895	0.5
68.91316	0.4
69.03320	0.8
71.01252	4.0
71.04883	1.8
71.57334	0.4
73.02800	1.1
73.25718	0.6
78.95783	0.9
78.98441	0.6
79.95609	1.1
80.96396	4.8
83.01223	0.5
83.04904	0.5
85.02808	1.3
87.00755	0.9
89.02323	2.5
94.97962	0.7
95.04917	0.8
96.95892	0.9
97.06427	0.7
97.87238	0.5
101.02302	3.8
109.06510	0.5
111.08044	8.1
113.02319	1.8
113.09631	0.7
119.03313	0.9
122.97412	0.6
137.09581	0.7
152.98433	0.7
161.04459	2.0
164.98546	1.0
165.23169	0.4
167.10677	2.1
171.10176	0.6
177.12735	1.4
178.64157	0.5
179.05478	0.6
179.10689	1.5
179.14340	1.0
195.13826	10.7
196.14305	0.9
203.14398	0.5
205.12318	0.6
211.13402	0.6
223.13342	3.5
225.00716	1.0
235.08189	2.1
247.20624	2.3
253.09283	14.6
254.09554	1.0
255.23383	1.1
256.13101	0.7
268.67664	0.5
273.18564	1.2
275.20087	4.3
277.21732	2.7
289.18222	1.4
291.19647	100.0
292.19998	8.0
293.21204	76.3
293.34103	0.5
294.21564	5.7
299.04266	2.9
305.17111	0.6
476.91519	0.5
527.28601	5.9
527.35712	0.8
528.29120	1.3
529.30249	1.4
582.80426	0.5
626.45605	0.5
768.82721	0.6
803.41309	2.3
804.42694	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	9.0
70.95966	2.9
70.96302	4.1
71.01249	12.3
73.02840	5.4
78.95789	3.4
83.01212	2.4
85.02816	5.5
89.02313	2.9
96.95876	3.5
99.04408	16.5
101.02317	3.6
107.04910	5.2
111.04436	2.5
113.02373	2.6
122.03638	41.6
123.04451	3.2
125.02373	4.8
130.56822	2.4
135.04420	73.0
135.05449	4.8
136.05241	16.6
137.06038	12.9
148.05229	15.6
149.05933	7.9
175.07486	4.2
176.08330	8.6
177.09161	15.5
189.09145	19.9
230.13081	28.7
244.14557	6.3
245.15451	99.0
246.15778	4.8
256.69373	2.7
259.13333	6.8
271.13315	2.4
288.13647	3.3
289.14478	58.8
290.14841	5.1
327.61990	2.5
331.15396	6.3
451.19775	24.5
479.72534	2.3
579.23969	3.5
585.44977	2.5
597.25562	100.0
598.25714	13.3
641.24390	10.6
759.30847	65.9
760.31213	9.8
803.29755	24.2
804.29797	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	803.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.3
58.00466	2.2
59.01253	17.6
63.22362	1.0
69.03331	1.9
71.01255	13.4
71.56707	1.7
73.02808	2.5
78.86511	1.0
83.01259	3.3
85.02819	9.4
87.00744	1.6
89.02306	4.4
92.34602	1.2
95.01271	2.2
97.02797	3.0
99.00782	1.7
99.04387	23.3
101.02342	8.3
103.03895	1.6
107.04895	4.4
109.02821	2.5
111.00787	1.5
111.04411	1.3
113.02299	2.7
119.03357	1.5
122.03629	34.8
123.00523	1.1
123.04384	2.1
125.02348	4.0
127.87816	1.2
129.55243	1.2
134.03619	2.3
135.04414	77.2
135.08081	1.4
136.05238	20.3
137.06001	10.8
148.05190	16.7
149.05954	6.3
151.03860	2.6
159.04362	1.7
160.05165	1.5
161.05885	1.9
163.07434	1.6
164.04753	1.2
165.07811	1.3
171.08044	1.4
173.05911	1.6
174.06749	4.7
175.07513	5.3
176.08359	13.0
177.09138	14.9
187.07573	1.5
188.08334	2.3
189.09131	22.9
201.09079	1.9
202.09789	1.6
209.50198	1.3
215.07072	7.5
227.14352	1.6
230.13071	25.6
231.13622	2.7
243.13925	7.3
244.14717	6.7
245.15428	100.0
246.15770	7.7
249.14841	2.3
252.58116	1.4
259.13397	8.5
271.13419	9.3
277.14474	3.9
280.03748	1.1
288.13675	7.7
289.14456	52.5
290.14795	4.3
315.12393	55.4
316.12714	8.4
357.13562	2.3
373.19791	1.2
451.19461	1.7
597.18085	1.3
597.25513	43.5
598.25824	5.2
623.23438	89.5
624.23700	14.7
641.24524	63.7
642.24744	11.9
701.13226	1.5
746.90564	1.3
803.29773	47.8
804.29779	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	801.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	5.4
58.00455	2.9
59.01252	99.2
61.98697	2.4
65.03802	2.8
69.03316	6.9
69.64867	6.4
69.65276	7.9
71.01257	68.0
71.01654	3.6
71.80634	2.4
72.99174	7.0
73.02829	11.0
78.95809	3.3
79.95616	3.3
81.03336	2.5
83.01256	6.7
83.04894	6.7
85.02813	23.6
86.03163	2.4
87.00749	16.1
89.02315	50.3
93.03346	3.0
95.01287	5.3
95.04978	2.0
96.95889	67.8
97.02825	8.1
97.06465	7.4
98.20425	4.6
99.00729	2.6
101.02322	40.0
102.05553	2.4
109.06457	4.0
110.76824	2.5
111.08039	7.5
113.02342	20.9
119.03372	9.0
123.08042	4.5
125.02366	12.8
125.09602	20.2
131.03366	4.5
134.03960	2.0
135.04414	4.0
135.08099	2.4
137.09605	3.1
143.03391	6.6
149.09496	2.5
151.11266	3.1
152.91589	2.3
161.04475	7.6
171.10175	62.3
172.10553	4.4
179.03392	2.5
179.05533	16.0
185.11749	3.2
187.14799	4.1
197.11809	2.7
205.15860	7.2
209.11847	14.1
211.13321	14.1
215.14409	7.1
216.51842	2.2
221.04462	2.6
221.06625	6.4
221.15440	5.2
223.13257	3.2
231.13858	5.2
233.13167	3.4
233.15436	49.6
233.83560	2.3
234.15829	2.9
235.08221	8.7
249.14977	38.8
251.16478	3.2
253.09239	3.0
283.18884	2.6
309.20679	2.8
331.26410	3.5
341.25009	3.0
359.25977	3.5
364.48279	2.7
367.22919	4.6
375.25388	6.3
379.12411	5.5
385.23804	20.7
386.24243	3.8
397.13535	29.8
403.20032	3.9
403.24896	40.2
404.25140	4.2
415.14429	3.4
421.25858	25.1
422.26495	4.1
445.25537	2.8
611.34399	8.4
647.29309	2.9
773.40137	3.6
783.38049	91.4
784.38617	12.3
801.39081	100.0
802.39374	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	801.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	4.3
58.00455	4.4
59.00948	3.7
59.01249	71.4
61.98687	1.5
65.03825	3.0
69.03312	6.9
71.01250	64.1
71.04877	2.1
71.57719	2.3
72.99156	5.7
73.02823	9.8
75.00735	1.9
78.95771	2.0
81.03314	3.8
83.01254	7.8
83.04893	8.9
85.02821	19.3
85.06454	3.0
87.00748	15.9
89.02318	43.5
90.69388	1.7
93.03319	2.2
95.01257	3.9
95.04885	2.3
96.95901	11.9
97.02841	8.2
97.06447	4.9
99.00723	2.7
101.02319	33.0
105.06927	1.7
109.02821	1.7
109.06486	3.1
111.00735	2.6
111.04416	2.2
111.08026	6.6
113.02319	19.6
119.03401	7.9
121.02810	2.4
122.03584	4.1
123.08051	2.8
125.02335	14.5
125.09605	18.2
127.11136	1.8
131.03412	2.4
133.06471	1.7
134.21429	1.6
135.04375	2.5
135.08018	2.9
136.89539	1.8
137.09615	2.4
143.03355	5.2
151.11197	3.1
152.06943	1.4
158.38577	1.7
161.04456	6.1
171.10185	54.4
172.10481	2.1
179.05553	11.4
185.11745	4.4
187.14803	1.7
197.11784	1.9
205.15898	8.8
207.13707	4.6
209.11771	14.5
211.13310	15.9
215.14380	10.5
221.06700	8.2
221.15404	4.6
225.11093	1.8
231.13861	3.0
233.15413	53.6
234.15770	4.0
235.08144	5.4
235.13297	3.1
249.14920	27.9
250.15219	2.7
251.16495	4.3
253.09277	2.3
263.07800	3.6
277.09637	2.0
323.23724	2.8
329.23276	2.4
331.26395	4.9
341.24747	6.4
359.26038	4.1
367.22702	4.9
375.25452	6.0
377.26962	2.2
379.12540	3.9
385.23880	23.2
386.23941	2.7
393.26465	3.9
397.13544	28.2
398.13846	2.3
403.24866	44.8
404.25305	4.9
415.14505	4.6
421.25970	22.2
422.25925	2.8
471.16272	1.9
569.24518	2.5
629.28314	2.5
631.21082	3.1
663.24323	2.0
773.39978	3.6
783.38068	100.0
784.38605	20.2
801.39166	88.6
802.39343	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	801.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	5.5
60.48681	1.0
61.98702	9.4
63.96096	2.1
69.03300	1.3
70.12116	0.9
70.97815	0.8
71.01248	12.8
71.58070	1.0
71.58466	1.4
72.99113	1.1
73.02821	2.4
75.00749	2.2
78.95776	1.2
78.98466	8.9
79.95596	16.9
80.96387	93.6
81.03322	1.6
85.02819	7.3
87.00740	4.6
88.98594	1.0
93.03294	1.5
94.97956	24.6
95.01247	1.3
96.95883	10.3
97.02806	2.1
99.00748	1.1
101.02314	4.7
106.97961	4.1
109.02786	0.9
111.00752	2.5
113.02278	2.1
122.97485	4.9
125.02311	3.6
134.97462	8.1
136.99039	2.4
148.99030	8.1
152.98528	8.3
164.98532	16.1
167.00102	1.4
171.10168	3.0
173.00818	1.3
175.02403	1.2
191.01880	1.7
206.99571	4.0
209.11790	7.8
210.12108	2.5
225.00677	27.8
253.25662	1.0
266.89383	1.0
306.07764	1.6
307.07800	1.3
541.19745	3.9
801.35834	100.0
802.36243	17.6
833.21509	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	801.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.6
59.01249	100.0
60.01578	1.4
61.98698	2.0
69.03317	1.8
71.01251	32.2
71.28894	0.9
71.29224	1.3
72.99174	3.0
73.02819	7.6
75.00715	0.7
78.95777	1.9
80.96383	1.3
83.01238	4.1
84.01993	1.0
85.02818	17.1
85.69926	0.8
87.00754	3.6
89.02317	12.5
95.01258	2.9
96.95888	10.8
97.02831	3.1
97.06507	1.1
99.00769	3.5
101.02321	19.2
105.06884	0.9
107.71065	0.8
110.02344	0.8
111.00751	1.5
112.01531	1.4
113.02323	21.6
119.03376	4.1
124.01546	3.3
125.02348	6.4
125.09625	2.1
126.99432	2.7
129.01833	1.0
131.03400	1.0
131.77301	1.0
132.34572	0.7
135.00024	1.0
143.03403	4.7
152.07092	2.4
152.99501	0.9
161.04494	5.3
171.10176	3.3
179.05542	1.8
195.13731	1.3
197.11710	1.7
209.11810	5.0
211.13286	3.8
215.14420	0.9
225.11136	1.0
233.15421	5.9
253.09265	2.2
253.92760	0.9
255.10553	4.9
341.23419	2.0
354.10922	0.9
385.23865	2.2
397.13416	2.5
403.24927	1.6
421.25870	0.9
449.29120	2.9
467.30176	1.6
557.31067	1.6
575.32257	1.8
593.33417	12.2
594.33539	1.2
611.34296	44.9
612.34705	5.9
629.35449	16.6
630.35907	1.5
653.35156	5.6
654.35675	0.8
671.36554	10.9
672.36884	1.0
783.37976	14.4
784.38196	2.5
801.40900	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	801.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.8
63.02279	0.8
63.93187	0.9
64.89404	0.7
66.52784	0.7
69.69503	4.7
79.69039	0.6
93.03336	2.0
98.19793	1.3
98.20406	1.5
107.01239	0.7
109.02817	3.8
111.82456	0.7
119.01206	0.8
120.08047	1.2
121.02885	1.0
135.00787	1.0
137.02357	1.9
148.01541	3.1
149.02348	4.2
151.00261	0.9
159.04472	1.1
161.02501	1.1
163.00264	11.7
165.01781	0.9
167.04973	1.3
169.06519	1.2
171.04434	4.3
175.00279	3.4
175.03876	0.9
176.01074	7.0
177.01794	2.1
183.04410	2.3
184.05235	1.3
185.06007	2.1
185.15402	0.6
187.03951	2.9
189.05386	1.1
190.99864	1.3
195.04425	2.8
196.05280	2.1
197.06059	2.3
198.03105	1.6
199.03955	3.3
200.04715	1.3
201.05482	1.1
204.00484	1.3
206.44672	0.9
211.01985	0.6
211.03925	13.7
212.04613	3.3
213.01917	1.2
213.05525	9.7
214.02605	1.0
215.03441	13.3
216.03940	0.9
217.05074	1.7
218.05128	0.8
221.02721	7.3
223.03979	1.7
224.04668	1.0
225.05446	1.1
226.02661	2.5
227.03336	5.3
228.04123	4.0
229.04985	4.8
239.03447	8.2
240.04256	6.1
241.01367	1.6
241.05051	10.2
242.02205	5.0
243.02890	8.7
251.03435	1.0
254.02063	0.9
255.02962	13.2
256.03723	19.6
257.04504	18.4
258.04895	1.4
266.02078	1.6
267.02954	24.6
268.03598	6.5
269.04480	2.5
270.01691	12.9
271.02371	8.9
281.01016	0.9
283.02460	80.2
284.03152	21.0
285.04004	24.3
286.04382	1.9
290.27756	0.7
295.02441	5.7
311.01938	24.8
312.02731	85.2
313.03494	78.4
313.07269	1.9
314.03839	5.4
349.07254	5.0
361.06866	1.7
377.06683	7.8
378.07202	1.1
405.06259	1.4
406.06903	100.0
407.07281	14.3
447.25400	0.8
462.31631	0.9
540.32239	0.8
546.79688	0.9
663.15613	40.0
664.16205	4.7
715.18420	1.5
757.19824	90.8
758.20245	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	799.5342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.5
65.86416	0.3
70.97889	0.8
72.99217	0.4
78.95795	0.5
81.03331	0.6
83.04903	1.1
88.98684	1.6
92.92656	0.4
121.02847	100.0
122.02347	0.9
122.03291	3.0
152.99472	0.5
225.16060	1.3
451.32822	0.8
506.40048	0.4
677.49725	18.1
678.50043	4.2
691.48468	0.4
799.54083	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00460	5.8
59.01252	28.0
61.98698	7.7
67.41027	3.8
71.01245	17.5
71.28472	5.5
73.02826	3.9
78.95769	19.3
79.95598	7.2
80.96393	22.8
87.00727	5.1
101.02300	8.3
152.99481	13.6
155.98694	3.5
161.04501	3.8
169.12257	11.7
171.10202	28.5
185.11731	24.2
195.13855	8.9
199.13330	67.5
201.11180	11.0
207.10156	5.5
209.11719	17.5
211.13258	4.7
223.13339	7.0
225.11247	16.0
227.12849	59.2
235.08185	7.8
241.01157	4.5
253.09331	25.3
253.97353	4.3
275.20056	11.7
277.21683	64.3
278.22000	4.3
283.93478	4.0
293.21219	100.0
294.21558	10.1
325.18448	10.9
445.20392	8.6
463.21982	6.9
494.59082	4.0
575.36664	6.0
799.46350	18.1
800.44562	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	799.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	16.1
60.41231	0.7
71.01246	3.6
71.27586	1.3
78.27090	0.7
78.95803	1.4
78.98442	1.4
79.95604	1.5
80.96382	10.3
82.95963	3.1
85.02824	1.2
87.00741	0.8
89.02305	1.5
94.97940	1.8
96.97507	0.6
99.57632	0.7
101.02267	1.6
152.98540	0.8
161.04497	1.2
164.98524	1.1
183.13759	5.7
193.12302	1.0
201.57814	0.7
211.13332	100.0
212.13635	4.7
225.00659	1.8
235.08246	1.3
253.09216	7.0
255.23247	2.0
277.21707	50.8
278.22110	4.6
429.21136	1.5
447.22311	8.9
513.30640	1.0
707.43396	0.8
781.42035	0.8
799.43695	11.1
800.44208	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	799.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.6
71.01247	0.6
71.28874	0.5
78.95781	0.3
79.95202	0.3
79.95609	0.5
85.02840	0.4
88.03931	0.2
89.02310	0.3
96.95898	1.3
98.20226	0.2
99.67739	0.2
105.39935	0.2
113.02328	0.2
171.10165	0.6
183.01140	1.2
184.01881	0.4
197.02702	15.4
197.11783	0.3
198.03487	3.0
205.16127	0.2
209.11769	0.5
211.04378	0.2
211.13467	0.3
216.00908	0.4
223.13399	0.5
226.28156	0.2
227.12987	0.2
230.02490	5.0
231.02911	0.2
244.04059	0.3
253.09212	0.3
269.12152	100.0
270.12503	5.8
282.98090	0.2
321.68420	0.2
332.59854	0.3
441.24933	0.2
472.79855	0.2
781.36304	0.3
799.38885	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	2.2
61.52163	1.8
63.22039	2.1
71.57992	3.2
78.95775	95.9
80.96387	4.6
83.04881	3.8
96.96846	20.4
125.09583	2.7
127.11173	3.1
152.99484	26.0
155.10677	2.4
163.11232	5.1
165.12688	3.9
171.10220	3.8
201.11261	46.7
209.11766	56.4
223.00078	5.0
227.12898	4.4
241.01125	39.0
255.23257	50.8
256.23624	4.3
259.02115	2.4
277.21664	2.5
391.22281	3.6
619.36237	8.0
709.38019	3.4
781.41791	7.6
799.42365	100.0
800.43237	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	799.4155
Annotation	Planktocyclin
Peak:m/z	Relative Intensity
57.67604	0.5
59.01241	1.9
63.96111	2.1
69.03332	1.2
70.15049	1.1
70.15427	2.0
71.01251	10.6
72.99198	0.6
73.02819	1.8
75.00735	1.3
78.95790	1.3
78.98466	9.2
79.95118	0.7
79.95602	17.4
80.96387	100.0
81.03317	0.9
82.95960	1.3
82.96819	0.7
83.01270	0.7
85.02812	4.0
87.00737	4.2
90.96255	0.5
94.97957	21.5
96.95850	1.2
97.02814	2.2
99.00735	1.0
101.02304	3.3
105.18441	0.5
106.97984	4.6
114.45378	0.5
122.97455	4.3
125.02319	4.3
127.03886	0.9
134.97470	7.1
136.99033	2.3
142.45041	0.5
148.99042	8.3
152.98523	8.1
164.98532	16.8
165.71065	0.5
167.00079	0.9
171.10176	1.5
197.99924	0.6
201.36128	0.6
206.99625	4.2
225.00691	31.2
226.01047	1.3
227.00284	0.5
238.18779	0.7
241.01216	0.5
253.21635	2.0
255.23253	2.7
256.23724	0.6
277.21674	1.4
327.21744	1.0
453.14313	2.7
525.16003	1.0
537.27545	2.1
696.65295	0.6
709.38324	79.2
710.38647	14.7
753.40930	0.9
781.40405	14.0
782.40729	2.9
799.41376	36.2
800.41711	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	799.393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	4.3
61.98708	5.3
63.96095	1.3
71.01257	9.9
71.17689	1.0
71.18025	1.2
72.99189	1.4
73.02779	1.7
78.95767	4.0
78.98456	6.1
79.95609	28.5
80.96387	72.8
81.03315	1.6
81.66954	0.9
83.01234	1.3
85.02825	4.2
87.00726	3.6
94.97961	16.5
96.95898	2.2
97.02805	3.0
99.00726	1.5
101.02322	3.0
105.01756	1.0
106.97971	4.1
116.92726	2.6
122.97433	3.6
125.02325	3.5
134.07060	1.1
134.97447	5.4
136.99052	1.2
148.99005	5.6
152.98534	6.3
152.99518	1.0
164.98553	9.8
167.00932	1.3
169.12263	2.4
171.10135	1.6
185.11722	1.6
195.13846	2.4
197.11795	1.3
199.13362	7.2
206.99585	3.8
209.11778	4.8
211.13309	1.5
223.13354	1.7
225.00684	21.9
227.12801	5.6
253.09225	4.2
275.20175	1.2
277.21439	0.9
287.16531	1.7
293.21207	13.5
294.21521	1.1
325.18472	2.9
341.05496	1.4
355.07239	1.5
383.09943	1.1
447.58881	1.1
468.48404	1.2
470.52948	1.2
505.17441	3.3
701.30615	1.4
799.39343	100.0
800.39227	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	3.4
67.01749	1.7
70.05661	3.8
71.01247	1.1
71.20309	0.8
71.48113	0.8
72.99171	1.9
75.00755	0.8
78.95780	2.3
80.04924	4.1
82.02875	0.9
83.01266	2.2
85.02821	13.7
85.41501	0.7
88.98655	0.9
93.03331	6.1
94.02865	10.1
94.06497	4.0
96.95908	2.3
99.00764	1.3
101.02352	1.1
104.04932	4.7
106.06510	2.1
107.03654	7.3
108.04436	13.2
111.00764	67.4
112.01131	1.9
120.04419	1.6
120.08067	2.6
122.06010	64.0
123.06332	2.0
124.03977	2.4
124.07558	1.1
129.01843	5.7
130.26662	0.8
133.02890	1.8
134.06030	8.8
136.03941	4.4
138.05511	3.7
139.02644	3.7
148.03986	2.5
148.07549	2.0
150.05495	4.9
152.07079	100.0
153.07396	4.0
154.28094	0.8
154.99770	9.4
160.03954	1.0
160.07573	6.8
162.08971	1.1
164.03590	1.4
171.10219	1.4
173.00835	42.1
180.06480	1.3
188.07133	1.5
189.07797	1.2
191.01845	0.9
209.11778	2.5
211.08740	0.8
213.10324	0.9
223.08777	0.8
225.06636	1.3
227.08293	0.9
227.11891	1.4
237.10037	0.8
241.09726	2.4
242.10393	1.0
248.09581	1.0
249.10306	6.5
250.11024	2.6
251.11728	1.7
253.09665	4.6
254.08311	1.3
254.10571	6.9
255.11281	3.2
256.08713	1.2
261.10388	1.0
263.08292	1.3
264.08945	1.4
265.09714	2.3
266.08154	1.2
267.11389	2.5
272.11661	3.4
273.12488	7.3
277.09833	12.3
278.10593	9.4
279.11441	8.6
280.11865	0.9
281.09464	1.0
285.12381	1.7
289.09818	2.7
291.11368	3.1
293.09293	1.0
295.10773	5.1
299.10287	1.6
300.11194	0.9
307.11044	1.8
313.11926	3.7
327.13397	1.6
343.14499	1.1
371.13901	3.5
374.15009	2.2
383.14105	1.3
386.15076	1.5
389.17444	4.7
390.18219	1.1
396.13467	1.9
398.15048	1.7
412.16602	4.9
413.17493	3.0
414.18347	2.9
415.19046	2.6
416.20117	1.1
418.17572	1.6
419.18561	14.3
420.19107	2.9
424.16995	1.1
428.16028	2.0
430.17667	1.3
432.19254	3.3
434.16913	1.3
442.17621	6.3
443.18478	14.8
444.19107	4.4
446.16968	1.0
460.18832	22.9
461.19308	4.1
463.17590	3.8
464.17691	1.4
487.17535	0.8
536.21680	5.9
539.23053	9.2
540.22473	1.4
552.21515	5.9
553.22607	2.5
554.22882	9.3
555.23981	1.9
556.20850	2.6
557.24066	11.0
558.24182	1.8
559.22565	1.1
575.25488	1.0
581.23999	8.6
582.24323	1.4
599.25085	33.9
600.25262	5.6
617.26178	2.0
619.14825	1.4
619.24097	21.8
620.24298	4.0
625.24805	1.2
661.25543	4.7
663.28052	2.3
695.30634	1.2
705.29504	5.0
723.30334	97.2
724.30719	21.5
767.29437	9.5
768.29681	2.6
799.31335	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	799.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	3.6
61.98717	2.6
64.23370	1.5
67.01768	3.0
69.49912	10.7
71.01246	1.9
72.99185	2.6
75.00754	3.1
80.04919	3.5
80.96415	2.3
83.01260	3.9
85.02819	16.9
88.98697	1.4
93.03339	15.5
94.02861	10.0
94.06504	5.8
96.04433	3.4
96.95911	4.4
98.19791	3.1
101.02325	3.5
104.04942	3.6
106.06528	2.4
107.03643	9.8
108.02074	3.4
108.04447	5.6
109.02857	7.6
111.00763	72.0
120.04440	3.0
120.08074	17.4
122.06007	82.6
123.06329	3.2
124.01535	2.6
124.03928	26.7
125.02357	6.9
129.01808	5.1
132.04422	3.7
134.06050	14.1
136.03946	6.8
136.07628	2.6
137.02361	9.6
137.04707	1.8
138.05525	5.8
139.02637	3.5
148.03917	3.6
150.05534	10.0
152.07079	100.0
153.07402	3.6
154.05040	4.3
154.99750	7.3
155.71399	1.4
158.02371	2.6
160.03937	3.0
160.07542	2.5
163.03882	2.8
164.07132	3.1
168.06580	14.3
173.00836	39.6
177.01750	1.4
190.05048	19.3
206.04567	3.1
209.11804	2.5
226.12314	9.3
227.12120	1.7
237.10164	4.1
239.11659	1.8
240.10344	2.4
242.11786	2.5
249.10382	2.2
250.07373	2.0
251.08234	1.7
253.09804	4.9
254.08144	3.3
254.10681	4.7
255.11269	2.3
255.15131	3.6
264.08911	2.3
265.09842	4.1
270.11282	3.2
277.09808	18.0
278.10516	6.8
279.11319	13.7
280.11600	1.8
285.88333	1.7
286.10864	2.5
287.14008	4.8
289.09799	3.6
290.10422	2.0
291.11444	5.6
295.10757	4.3
296.11499	4.3
301.12067	2.3
313.12006	5.3
319.13077	2.5
323.10333	3.8
325.11783	1.9
340.10413	3.0
341.11624	1.8
353.11179	1.9
355.12994	60.6
356.13315	7.3
361.17728	1.6
371.13043	6.5
383.14014	2.3
388.12875	3.2
389.17474	5.6
394.16278	1.6
396.13440	2.6
398.15097	4.2
402.18219	2.1
407.16019	1.8
408.16809	1.8
412.16531	10.6
413.17346	5.7
414.17981	3.2
416.19867	2.7
419.18610	12.8
420.18988	2.8
424.17068	1.9
425.17401	4.9
434.17157	2.7
442.17706	14.5
443.18399	8.9
444.19205	7.8
460.18738	7.1
463.17499	2.4
488.18106	3.6
520.20831	5.3
521.21283	3.8
536.21692	6.7
539.23126	18.3
540.23596	2.6
552.21155	5.4
553.21667	2.2
554.23480	2.8
557.23840	2.3
581.24042	20.3
582.24323	3.3
598.24280	3.5
599.25085	62.6
600.25232	11.1
611.25098	7.4
619.23981	17.7
620.24677	2.4
643.26825	4.4
661.24817	3.3
663.28198	3.1
705.29211	4.3
723.30298	31.4
724.30414	6.3
751.29547	2.7
767.28876	4.4
781.30499	2.0
799.32025	8.2
800.32062	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	799.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18985	0.7
59.01243	2.7
61.98701	1.3
67.66028	1.0
71.01241	1.7
72.99198	1.0
75.00743	1.6
78.97819	0.8
80.04921	1.8
82.10513	1.0
85.02821	5.0
93.03339	10.1
94.02866	11.2
94.06495	5.9
96.95890	1.8
104.04938	3.7
106.06535	1.3
107.03640	7.7
108.04435	6.2
110.06089	1.0
111.00765	18.0
120.04429	0.8
120.08096	2.2
122.06010	72.5
123.06335	3.1
124.03931	5.4
124.07529	1.1
129.01863	1.5
134.06009	15.3
135.06558	1.0
136.03970	5.0
138.05534	4.5
139.02634	4.1
148.03975	2.9
148.07520	1.0
149.04774	1.1
150.05508	6.6
152.07080	100.0
153.04240	1.2
153.07442	3.1
154.99767	2.2
160.03938	1.1
160.07588	3.1
166.05037	1.6
168.06616	2.0
171.28914	1.0
173.00841	12.4
181.62094	1.0
188.53709	0.8
192.62173	0.9
209.11845	1.3
221.18558	0.9
235.08707	1.0
249.06253	1.0
251.11848	1.1
253.09804	6.6
254.08139	5.5
254.10611	9.1
255.11311	2.1
259.08783	2.6
261.10239	2.5
263.08359	1.2
265.09833	1.7
266.08191	2.1
267.11398	3.2
276.09039	1.3
277.09839	31.8
278.10544	10.3
279.11359	13.9
280.11819	1.1
281.09305	1.0
284.88440	0.9
285.12524	1.4
289.09769	4.1
290.10452	2.2
291.11401	6.2
293.09396	1.2
295.10858	3.7
297.29614	1.0
307.10794	1.6
310.09485	2.0
313.11945	3.6
330.43814	0.9
361.17847	1.2
371.13971	5.7
372.13861	1.3
374.15097	2.8
383.14023	1.8
384.17435	1.6
386.14999	1.5
387.13409	1.5
389.17487	5.0
390.18173	1.2
391.18951	1.5
394.15952	1.3
396.13092	4.6
398.15155	3.9
401.17581	1.6
410.15140	1.6
412.16568	15.0
413.17392	8.4
414.18033	2.5
415.19086	1.0
419.18811	14.6
420.19086	3.0
424.16626	3.7
425.37012	0.9
428.16257	1.0
434.16980	1.6
442.17749	15.3
443.18277	6.5
444.19211	5.5
446.17380	2.7
458.17441	1.7
459.17896	2.5
460.18866	9.3
461.19135	2.1
463.17484	3.6
464.17816	1.5
475.17639	2.0
487.17810	1.4
536.21967	18.6
537.22070	4.3
539.22998	17.7
540.22974	2.9
552.21460	11.5
553.21930	3.6
554.22998	3.3
556.20654	1.4
557.23376	1.3
568.23370	2.1
575.25378	1.2
581.24048	26.5
582.24298	4.2
598.23621	2.4
599.25092	75.7
600.25476	13.1
601.22888	1.4
617.26569	2.0
619.24072	15.6
620.24475	3.3
620.34363	1.0
643.23444	1.7
661.25372	4.3
663.28754	2.2
705.29254	11.9
706.29218	4.0
723.30304	64.1
724.30701	17.6
799.31702	4.7
800.32477	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	799.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02455	0.3
59.01239	1.8
69.61655	1.6
69.62085	1.0
70.72942	0.3
79.31548	0.3
79.89120	0.3
80.04933	1.0
82.02844	1.7
85.02823	1.0
93.03333	40.7
94.02859	21.4
94.03648	0.7
94.06503	0.7
95.03185	0.9
96.04428	1.5
96.16766	0.3
96.95905	1.6
98.95487	0.5
104.04936	0.5
106.06512	1.5
107.03633	1.3
108.02043	0.7
108.04436	3.5
108.08083	1.0
109.02854	1.2
110.02428	0.3
110.03156	0.3
110.06013	0.9
111.00739	2.2
116.05016	0.4
118.06498	0.7
120.04423	0.9
120.08072	13.4
121.02855	1.9
121.05237	0.7
121.08452	0.5
122.06009	9.6
130.02885	1.0
131.03627	0.7
132.04453	6.1
133.04927	0.4
134.06003	1.9
135.04425	0.3
136.03923	0.9
136.07567	3.6
137.07872	0.4
138.04456	0.6
138.05504	9.0
139.02589	0.6
141.81082	0.3
144.04478	0.5
146.02353	0.9
148.04074	1.9
148.07578	100.0
149.07942	4.2
150.05507	3.4
152.07076	27.7
153.07379	0.6
156.06575	0.8
158.02371	4.4
160.03981	1.1
162.05524	0.7
164.03423	0.7
164.07086	2.3
166.05009	0.9
168.06570	6.3
173.00818	1.2
174.01933	0.9
174.05571	0.3
176.03458	2.0
180.06577	28.9
181.06873	1.7
188.07080	1.0
190.05023	18.5
191.01834	0.5
191.05438	0.7
192.06619	2.8
196.45229	0.3
203.05829	0.7
205.03725	1.0
206.04561	1.8
214.08708	1.9
223.08644	0.6
224.10843	0.4
225.10263	0.4
226.08719	0.7
226.12358	4.7
227.12001	0.4
229.13390	0.6
235.67635	0.3
236.09364	0.6
237.10315	1.3
238.07262	0.4
239.11836	0.6
240.10306	0.7
242.11800	1.6
243.37422	0.3
243.39975	0.3
245.12865	0.7
249.06689	0.8
249.10297	0.9
250.07413	0.8
251.08229	1.2
251.11903	0.6
253.09973	0.6
259.10803	0.5
261.12469	1.3
262.07336	0.4
263.08273	0.7
265.09720	2.2
266.10635	1.0
267.11331	0.4
269.12939	0.4
270.11340	1.8
271.14471	1.0
277.06097	0.8
277.09741	0.9
278.06689	0.4
279.07718	0.7
279.11429	1.3
280.52298	0.4
281.09332	0.8
282.10046	0.5
283.10968	0.4
286.10831	78.3
287.11139	5.2
291.11337	0.7
292.08728	0.4
292.11755	0.4
293.09225	2.6
294.10040	1.0
295.10797	4.6
296.11545	3.6
297.12271	1.8
303.13489	0.8
305.09262	0.4
307.10812	1.3
310.09436	0.4
311.10220	0.7
313.11932	0.7
319.12845	0.6
323.10312	4.3
324.10861	1.0
325.11990	2.5
337.11951	0.4
339.09787	1.6
340.10724	2.4
341.11267	1.2
343.12909	0.7
353.11267	1.8
355.12961	88.1
356.13348	9.1
367.16562	1.3
371.12411	6.1
372.12943	0.8
383.15686	0.4
388.12820	1.2
394.26117	0.3
425.17154	2.7
442.17725	0.8
443.17896	0.7
452.18552	0.5
460.18719	2.3
461.19510	0.6
488.18442	0.4
489.18436	0.5
504.17789	6.1
505.18472	0.9
520.20782	0.8
536.20367	10.9
537.20868	1.9
551.19250	0.8
570.22272	0.4
582.22961	0.7
585.23193	0.7
614.25110	4.2
615.25323	0.9
617.26282	1.1
627.23932	0.6
630.24133	0.5
633.26300	0.4
642.24957	0.9
645.25684	2.5
646.26221	0.4
661.24829	0.8
675.26477	0.7
677.28748	1.4
678.28400	0.5
693.28320	0.5
799.31982	3.0
800.32544	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83016	0.7
59.01249	100.0
60.01587	1.2
71.01254	9.6
71.57625	0.9
73.02798	4.2
75.00749	1.4
78.95808	0.7
83.01260	2.1
85.02830	4.6
89.02335	1.1
96.95906	1.3
99.00766	1.4
101.02325	8.1
113.02329	4.6
115.03890	3.4
121.02843	1.8
128.82552	0.6
133.04955	7.0
139.10567	0.6
159.02829	1.0
161.04503	4.4
175.06024	7.6
180.07822	0.9
269.10321	13.0
269.13092	0.9
270.10773	0.8
282.56091	0.6
311.11343	4.4
721.48517	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.4
60.22754	0.5
61.93347	0.5
63.74747	0.5
63.96101	1.5
69.03326	0.6
71.01249	9.0
72.99173	0.5
73.02824	1.6
75.34896	0.4
78.95776	1.4
78.98458	7.7
79.95600	14.3
80.96388	87.9
81.03325	1.1
81.96289	0.6
85.02828	3.7
87.00732	2.7
94.88416	0.5
94.97959	21.7
96.95866	1.2
97.02805	1.9
99.00751	0.8
99.04379	0.6
100.76012	0.5
101.02309	3.5
104.13047	0.5
106.97971	4.8
122.97462	4.5
125.02340	3.9
127.03909	1.1
134.97484	5.3
136.99023	2.4
140.42978	0.6
148.99048	8.6
152.98521	8.2
152.99644	0.6
164.98544	15.0
167.00113	0.8
206.99559	3.9
209.11809	1.5
225.00690	25.8
226.01141	0.9
241.01248	0.8
246.89803	0.5
255.23247	2.7
283.04993	0.7
537.27466	1.9
541.19189	2.8
555.28772	0.6
797.43579	100.0
798.43933	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	2.0
59.01252	17.2
61.98698	3.2
63.27173	1.7
65.70418	1.4
65.82906	1.6
71.01240	7.7
74.02345	4.6
78.95766	5.6
80.96381	3.9
83.04880	1.7
85.02808	3.0
87.00781	2.4
88.03916	3.4
96.95892	7.6
96.96656	1.4
97.02833	8.4
97.06489	2.6
99.00755	12.9
101.02345	3.8
113.02350	3.2
113.07203	1.7
120.08154	1.5
125.02348	1.7
125.09599	2.9
142.02632	4.1
152.99504	4.2
163.11215	8.7
171.10196	6.0
179.05582	2.5
181.12253	19.4
195.13803	7.2
197.11784	2.3
199.13539	1.8
207.10214	48.5
208.10466	2.7
209.11691	8.0
211.13411	2.9
223.13336	6.7
225.11276	100.0
226.11563	5.0
227.12630	1.9
235.08133	3.8
243.12366	14.2
253.09201	6.5
275.20129	3.6
277.21609	7.5
293.21201	69.7
294.21567	4.8
309.20639	5.6
311.16901	2.6
311.22217	9.7
329.23273	5.9
331.57510	1.6
461.20294	45.2
462.20490	4.2
509.00671	1.7
713.43182	2.0
737.41168	36.7
738.41449	7.7
797.37933	4.2
798.44739	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	797.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	2.6
60.99179	2.3
61.98689	2.1
64.74719	0.8
69.91968	5.1
71.01244	1.5
75.00739	1.1
78.95802	1.1
79.95602	1.1
80.96392	0.9
85.02839	2.3
88.98677	10.1
89.02308	2.3
91.71145	0.8
93.03339	17.2
94.02861	10.8
96.95891	7.5
101.02309	1.0
108.04448	0.9
108.08096	4.6
120.08054	1.5
121.05224	3.3
133.04974	1.3
134.06001	3.0
135.03122	1.1
136.07579	100.0
137.07936	3.1
138.05536	1.4
150.01849	1.0
152.07115	1.3
153.04216	4.3
158.21077	1.0
171.10139	1.0
190.05171	1.0
191.01845	1.2
209.11742	2.4
220.13339	1.2
233.11595	1.1
235.08676	2.1
237.10344	2.2
247.08830	1.3
248.09526	2.7
249.06567	1.2
249.10295	7.9
250.11008	2.8
251.11783	2.4
261.10236	1.5
262.07431	4.7
263.08197	13.6
264.08905	2.5
265.09732	2.9
275.08292	2.0
276.08975	3.5
277.09793	23.7
278.10596	29.7
279.08365	0.9
279.11206	5.7
289.09918	2.1
290.10608	5.4
291.11349	14.2
292.11896	1.9
322.09720	1.7
327.21707	1.2
356.11548	3.9
369.12027	1.7
371.13995	8.4
374.15012	1.4
383.13840	7.4
398.18915	1.6
399.19760	2.9
411.16003	1.1
412.16702	3.1
415.12967	1.1
426.18164	7.0
427.18921	13.6
428.19638	2.9
453.16983	1.1
458.20459	1.2
469.14810	3.3
471.17941	8.6
472.18445	1.9
492.23352	1.3
520.22247	5.7
523.23340	2.1
552.25043	4.4
553.24963	1.5
564.21362	66.9
565.21539	10.3
583.25629	4.2
596.24011	30.4
597.24530	6.0
609.23834	1.4
615.28882	1.4
627.24426	30.1
627.34558	1.7
628.24915	6.8
641.26178	3.7
659.27191	31.0
660.28107	5.9
686.93524	1.0
765.31592	1.3
797.34955	3.2
798.35815	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	797.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58879	0.8
57.03320	1.4
59.01239	2.6
61.83576	0.8
61.98705	2.2
63.09852	0.8
63.41091	0.7
71.01235	1.4
71.21425	1.2
72.99180	1.1
75.00739	1.9
78.95731	1.0
80.96393	1.5
85.02815	2.1
88.98680	7.4
89.02332	1.4
93.03332	13.3
94.02863	11.8
96.95885	6.3
106.06470	1.2
106.22027	0.8
108.08082	4.6
120.08014	1.4
121.05204	3.1
121.73428	0.8
122.05988	1.1
125.09582	0.9
133.04939	2.0
134.06010	2.5
135.03120	0.9
136.07579	100.0
137.07944	4.4
138.05479	2.1
141.91275	0.9
152.03337	0.9
152.07054	1.4
153.04184	3.4
169.70699	0.9
183.09200	0.9
209.03098	0.9
209.11775	1.0
209.18469	0.8
235.08624	1.9
237.10129	1.2
247.08638	1.1
248.09528	2.2
249.10312	9.9
250.10886	2.4
251.11719	1.0
261.10345	1.0
262.07455	5.2
263.08240	11.7
264.08896	2.3
265.09854	1.8
275.08301	2.2
276.09012	4.6
277.09802	23.0
278.10608	28.4
279.11246	5.6
289.09720	1.9
290.07776	1.0
290.10590	5.6
291.11414	12.0
292.11874	1.2
322.09647	1.6
327.21790	1.0
335.10141	1.0
356.11755	2.5
369.12250	1.5
371.13971	9.6
372.14236	1.3
383.13806	6.6
384.17404	1.1
396.13361	0.9
398.19269	1.6
399.19461	2.5
400.20572	1.0
412.16513	2.9
415.12747	1.5
417.82120	0.8
420.31686	0.9
426.18069	8.1
427.18924	14.3
428.19507	3.8
443.18631	1.1
471.18073	9.2
472.18387	2.9
492.22876	0.9
520.22565	5.3
521.23071	1.2
523.23230	1.6
524.54639	0.9
552.24854	4.5
564.21362	57.4
565.21820	10.4
583.25934	4.1
596.23956	23.1
597.24402	5.6
599.24945	2.0
609.23883	2.3
615.28485	2.0
627.24658	26.4
628.24963	6.6
641.25653	2.8
659.27197	26.5
660.27759	6.9
673.80927	0.9
733.28064	1.3
797.36078	2.6
798.35614	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	797.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.2
64.83064	1.0
70.37230	2.7
70.37598	2.3
75.00728	1.5
82.02858	1.7
88.98693	1.8
93.03345	3.8
94.02862	24.6
94.06485	4.2
96.95874	6.2
103.00295	1.2
107.03656	4.1
117.72361	1.0
119.08571	1.2
120.04430	1.6
121.02807	1.4
121.06452	1.3
122.06005	43.3
123.06364	1.7
125.09521	1.3
134.06017	7.8
136.03926	1.2
138.05507	8.6
139.02632	1.8
148.03944	1.5
150.05508	12.2
152.07076	59.2
153.07394	2.0
171.10225	1.2
184.65236	1.2
191.01880	1.2
211.08698	3.7
223.08710	9.6
223.12201	1.5
224.09454	1.9
225.10269	2.2
235.08632	2.4
236.09428	2.4
237.06549	1.3
237.10254	5.2
238.11028	4.3
239.08334	2.4
239.11871	7.3
247.08745	4.1
248.09560	3.9
249.10339	5.9
250.07433	1.5
250.13768	1.3
251.08185	2.1
251.11900	4.5
255.07710	1.6
261.10446	1.2
262.07449	2.2
263.08246	3.6
264.09137	1.9
265.09784	25.8
266.10141	2.0
267.11377	4.6
271.10907	3.3
275.08185	2.8
276.08865	6.8
277.09793	11.9
278.10507	6.7
279.11389	6.2
280.11792	1.5
283.10779	1.5
289.09756	4.8
291.11389	2.6
293.09375	3.1
295.10880	1.5
297.08911	2.5
297.12140	1.5
305.09183	1.2
309.12347	1.7
312.15015	2.3
328.10968	1.4
338.13278	1.3
340.10599	1.4
340.14590	3.1
342.12521	1.8
343.13193	2.0
344.14041	2.5
353.11652	1.7
354.12439	2.4
354.16275	1.5
355.13229	1.8
356.14011	2.5
357.14731	4.2
358.15662	4.0
366.12354	2.8
367.13116	2.8
368.13968	4.7
370.15472	4.1
372.13202	2.0
372.17224	4.6
373.17877	3.4
374.14975	2.1
380.14267	1.7
381.11395	3.1
382.15967	5.9
383.16534	5.9
384.13147	2.1
384.17349	3.0
386.18958	1.9
387.15677	1.7
388.16550	5.9
393.11151	1.4
394.11960	2.9
395.12570	3.0
396.13272	8.5
396.17340	1.4
397.14063	3.4
398.14960	4.1
402.18494	10.4
403.19040	7.4
404.19696	2.1
408.13730	2.2
410.15036	4.4
411.15839	19.1
412.16696	10.3
413.17380	5.9
414.18442	3.3
415.19092	1.4
416.16425	1.6
425.13715	1.7
426.14709	3.5
427.14847	3.3
429.16702	2.8
430.17911	10.6
431.18332	5.9
432.15497	2.9
440.16238	10.8
440.54330	1.2
441.16910	28.3
442.17603	12.1
443.17908	2.5
445.16537	1.5
446.17255	8.9
447.17999	15.9
448.18680	7.9
451.03986	1.2
458.17178	4.0
458.23630	1.3
461.16235	2.9
462.16348	2.6
472.18756	4.0
473.19678	6.2
474.16992	4.2
475.17465	10.1
502.16193	25.8
503.16684	3.5
506.19006	3.3
516.17505	1.6
517.18250	2.2
518.19147	1.8
533.18420	1.5
534.18848	9.4
535.19391	3.9
537.21356	4.4
541.22333	5.1
556.21289	2.0
567.22388	3.2
569.23969	4.9
579.22833	3.7
581.21051	1.4
597.23633	33.5
598.24347	2.9
603.24689	7.9
604.25287	3.9
610.21875	1.9
613.23071	4.9
617.22717	2.3
619.24469	3.2
628.23169	3.7
629.26160	21.6
631.24139	13.4
632.24445	2.8
641.22516	34.6
642.22906	4.5
643.24622	2.4
655.23767	2.8
659.23376	3.3
673.25116	100.0
674.25330	13.9
690.25494	10.7
691.26135	25.6
692.26508	4.1
710.29578	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	797.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.8
62.60841	0.8
70.88189	2.1
75.00750	1.7
80.04935	1.0
82.02838	1.0
89.02309	1.1
93.03333	18.4
94.02857	11.4
94.06506	10.9
96.04422	1.8
96.95909	1.3
101.02322	1.7
103.00195	0.9
106.06496	2.0
107.03663	6.6
108.04424	1.6
120.04427	1.9
120.08044	1.1
122.06002	55.9
123.06326	2.0
124.07580	3.1
134.06023	6.8
138.05484	3.3
139.02654	2.9
149.78938	0.8
150.05504	6.8
152.07072	85.3
153.07382	2.7
164.03477	1.1
166.04965	1.3
168.06523	0.8
171.10220	5.1
201.11301	3.8
209.07185	1.7
209.11829	6.7
210.07951	1.0
211.08670	4.4
211.12051	0.9
215.25810	0.8
221.10832	2.1
223.08809	4.6
223.12344	6.3
224.09364	1.6
225.10315	2.0
227.12881	1.1
234.07951	2.9
235.08624	2.5
235.12277	1.5
236.09378	1.1
237.06715	1.0
237.10254	4.0
238.11102	1.2
239.08160	1.5
239.11885	4.7
240.08971	1.2
247.08740	2.7
248.09520	1.6
249.10286	23.2
250.07471	2.3
250.10811	2.7
251.08195	2.1
251.11870	7.8
252.08966	1.2
253.09702	1.9
255.07806	1.2
261.10309	3.4
262.11182	0.9
263.08310	2.3
263.11981	1.8
264.08990	2.0
264.12686	2.4
265.09781	23.2
266.07117	1.6
266.10330	4.2
267.08621	1.3
267.11349	8.2
276.09207	0.9
277.09875	3.9
278.10349	2.1
279.11401	4.7
281.09238	0.8
281.13019	2.1
283.10867	1.6
292.08572	1.0
293.09375	8.0
293.12775	1.4
294.09952	2.8
295.10757	2.9
297.09091	1.6
297.12436	2.2
303.11359	1.4
305.09280	2.0
306.10159	1.0
307.11002	1.7
318.95471	1.0
322.08417	0.8
325.12048	2.4
331.14560	0.8
340.14313	1.0
342.16010	1.4
343.14429	3.5
346.15784	0.9
356.13995	1.2
356.17743	2.3
357.14459	1.2
357.18372	1.1
358.15515	1.8
359.14023	2.4
361.64517	0.9
368.13818	1.1
371.50845	0.9
372.17154	3.3
374.15015	1.8
383.16083	1.1
384.17215	4.4
385.17728	1.3
386.14606	1.6
386.18777	2.6
387.12994	1.6
388.20416	2.0
390.14050	1.2
391.12762	1.5
397.13525	2.1
398.14667	1.2
399.15601	1.1
400.16791	1.2
402.18271	3.8
403.19064	1.7
404.20007	2.1
411.15814	3.5
412.16434	2.2
413.17081	0.9
414.18430	8.8
415.18942	1.3
418.17581	1.3
430.17816	8.3
431.18045	2.5
432.19363	4.1
440.16101	1.6
441.16843	4.5
442.17642	1.8
446.16931	2.4
447.17963	2.8
453.34338	1.0
458.17184	3.7
459.17929	1.6
460.18823	1.9
462.16501	1.6
473.19586	1.0
474.16565	1.4
475.17450	2.6
490.20126	4.0
498.42087	1.1
502.16159	4.2
503.16782	3.6
512.46936	0.9
522.18939	1.1
524.21747	0.9
534.18823	49.5
535.19257	9.8
556.20831	1.4
596.21320	0.9
597.23560	4.4
603.24646	1.4
613.22913	0.9
628.22980	100.0
629.23291	18.7
631.24017	45.4
632.24390	7.9
641.22882	4.4
642.22974	1.0
643.23193	1.2
673.25153	30.4
674.25177	5.7
691.26154	50.0
692.26428	9.1
797.30573	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	797.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.3
65.20348	0.1
71.57748	0.1
71.58104	0.1
79.95611	3.5
85.02814	0.2
85.35735	0.1
86.88572	0.1
88.98650	0.2
93.03324	0.2
94.02839	0.1
96.95892	100.0
97.95834	0.3
105.01810	0.9
111.00777	0.1
116.62934	0.1
122.05995	0.3
129.01799	0.1
134.46912	0.1
142.88214	0.1
152.07059	0.4
171.10172	0.1
269.04681	0.2
277.09760	0.1
278.10492	0.1
296.03268	0.1
297.04004	0.4
299.48657	0.1
317.11536	0.1
335.12442	0.4
341.65189	0.1
390.07339	0.1
441.16614	0.8
579.24341	0.2
597.22797	0.2
643.24249	0.1
673.24957	0.2
675.26984	0.2
699.19763	0.5
779.29352	0.2
797.30621	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	795.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.0
59.01250	14.1
60.63976	0.8
69.03324	2.2
71.01251	5.3
71.04862	1.2
78.95772	6.0
83.04892	1.5
87.00774	1.1
89.02308	2.1
90.16129	0.9
96.95877	1.3
98.20560	1.8
101.02325	4.0
102.05479	2.5
113.02312	2.9
118.38744	1.0
119.03429	2.0
125.09656	0.9
152.99481	7.8
161.04445	2.5
161.13206	1.0
167.10678	3.0
171.10138	2.5
179.14351	3.1
195.13835	15.8
197.11847	1.1
205.12309	8.6
209.11748	4.9
210.12131	1.3
211.13428	1.7
223.13338	100.0
224.13736	5.8
227.12872	1.5
228.13428	1.1
229.22282	1.3
235.08241	4.4
253.09262	18.1
267.19641	2.6
275.20120	6.4
277.21774	5.2
278.22003	1.0
286.16409	1.2
293.21216	83.5
294.21570	6.6
309.20612	1.2
336.30203	1.1
339.00659	1.2
459.22391	13.7
460.22849	1.4
529.30371	2.4
531.67590	1.0
587.84576	1.0
690.52264	1.0
692.38232	1.0
735.43188	3.6
736.43451	1.2
795.45624	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	795.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72393	0.6
59.01250	100.0
60.01585	1.0
71.01260	1.8
78.95747	0.8
88.64301	0.6
89.02333	0.9
96.99146	0.6
97.02806	0.7
101.02338	1.1
105.82159	0.5
113.02393	0.9
125.02350	1.4
141.01595	60.4
152.99551	0.9
175.09489	0.6
183.98647	0.5
192.15306	0.5
200.32640	0.5
229.26073	0.7
235.08188	0.7
255.23280	6.3
268.34271	0.5
271.33609	0.5
310.11179	0.6
337.23590	4.6
397.13507	11.9
415.14725	2.4
419.11761	2.4
437.12817	3.5
455.87442	0.7
653.37799	1.7
675.36078	2.5
828.80298	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.0
61.98700	1.1
65.24744	0.8
71.01254	2.3
71.56812	1.3
71.57157	1.2
76.96207	0.7
78.95776	1.0
85.02820	1.1
86.23157	0.7
87.00751	6.0
88.00267	0.8
88.98682	1.9
93.03316	0.9
94.06499	3.3
96.95893	1.9
101.02325	0.9
105.01800	0.9
107.03638	6.6
108.04443	1.1
122.06009	55.3
124.07586	1.0
133.04951	1.2
134.06010	5.5
139.02641	2.2
147.02867	0.8
150.05501	1.7
152.07080	79.7
153.07408	2.5
171.10236	1.9
188.07063	1.1
201.11430	1.0
209.07150	1.4
209.11722	1.6
211.08707	1.2
222.07925	0.8
223.08698	6.5
224.09436	1.3
235.08614	1.0
237.06683	1.9
237.10318	2.6
238.11034	2.6
239.11824	5.1
240.55394	0.8
248.09781	0.8
249.06642	0.9
249.10217	1.2
250.07414	2.8
251.08203	7.6
251.11946	1.7
252.09009	1.5
253.09782	2.0
255.07687	1.4
255.11264	1.0
263.08249	2.8
264.09009	2.9
265.06656	1.3
265.09772	22.5
267.07977	1.3
267.11392	5.6
276.09293	0.8
277.09741	3.2
278.07123	1.2
278.10547	3.2
279.08163	0.9
279.11295	2.9
282.09970	1.3
283.10910	8.4
291.07727	1.0
293.09305	10.0
294.10068	6.7
295.10825	3.4
297.09167	1.6
297.12415	12.3
305.09332	4.4
306.10022	3.3
307.10818	2.2
325.12082	3.9
328.10480	0.9
338.09030	1.9
386.14743	1.0
388.16739	1.2
397.13281	1.2
402.14224	1.6
402.18765	1.6
404.19589	1.4
413.17322	1.4
414.14410	1.9
416.16052	2.4
429.16998	1.4
430.17947	19.6
431.18356	5.3
432.19037	1.3
435.21136	1.1
441.17264	1.0
444.15460	1.2
448.18872	7.4
449.19415	1.1
458.17142	8.2
459.17764	8.2
460.18536	0.8
462.20496	4.5
463.21027	1.1
474.16748	1.3
475.17444	1.1
476.18036	1.2
484.15091	1.4
485.16049	1.8
487.17587	1.1
490.19812	2.8
491.20526	1.6
502.16446	5.7
503.16968	8.1
504.17523	1.5
506.19159	3.7
523.19849	1.7
534.18805	100.0
535.19354	21.2
536.20300	1.4
585.27069	1.0
596.21234	1.1
609.23450	4.2
625.22845	3.3
628.22864	4.6
629.25812	1.6
641.26117	5.9
657.25653	93.3
658.26031	16.2
795.35931	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	795.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43151	1.0
57.67282	0.9
59.01254	13.6
71.01258	12.4
71.57201	1.0
72.99168	1.4
73.02826	1.7
74.02339	2.1
78.95766	1.4
85.02830	2.0
87.00737	1.1
87.94070	0.9
89.02324	10.3
93.03345	1.0
93.78574	1.2
99.92460	2.5
101.02325	4.9
113.02326	4.6
116.03432	1.5
116.92752	26.4
117.01868	1.6
117.03361	30.3
119.03442	4.8
119.04922	4.6
123.04425	1.1
124.35423	0.9
126.99452	1.5
128.99109	1.7
145.02858	100.0
146.03174	2.4
163.03903	4.9
189.09120	5.4
211.43503	0.9
217.08655	17.8
229.14430	1.3
243.06561	3.5
248.88237	1.1
261.07718	3.7
277.09457	1.5
295.10355	34.4
296.10663	2.9
311.62747	1.1
320.14240	1.0
400.08414	1.0
423.13052	3.6
441.13989	34.0
442.14291	3.2
571.18408	5.0
709.24005	1.2
751.24231	17.3
751.36169	1.7
752.24762	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	793.4382
Annotation	A 77003
Peak:m/z	Relative Intensity
57.03325	2.5
58.00452	0.8
59.01249	13.7
60.99157	0.4
61.98702	2.3
67.01765	0.4
68.99687	1.8
69.03321	1.0
70.45683	0.8
70.46049	0.7
71.01253	14.8
72.99190	2.2
73.02821	3.6
75.00746	10.0
75.47680	0.3
78.95784	3.8
79.95605	0.5
80.96368	0.9
83.01270	2.0
84.02029	0.3
85.02822	16.5
85.99971	0.4
87.00739	1.8
88.98677	0.4
89.02308	1.8
95.01244	2.4
96.95865	2.0
97.02789	0.3
97.06477	0.3
99.00755	19.4
101.02328	1.9
103.03889	1.0
111.00736	0.7
112.01551	0.4
113.02332	6.5
115.00211	0.6
116.92717	0.4
119.10110	0.4
129.01840	0.6
132.64291	0.4
145.05000	0.5
152.75900	0.4
152.99515	0.9
157.01297	2.0
171.10152	1.4
191.01970	0.4
209.11685	0.6
211.13289	0.6
224.98511	0.4
253.09576	0.5
263.07712	0.4
327.21765	0.5
329.23434	0.4
407.33191	0.8
423.32846	0.5
441.33514	0.5
463.20712	0.5
469.33267	1.3
471.34756	1.5
539.36896	0.5
553.35541	0.4
583.52893	0.4
585.37762	0.9
627.77808	0.4
629.37225	0.9
659.42072	0.9
663.51343	0.5
687.21289	0.5
731.43793	2.9
732.44104	0.7
742.11090	0.4
749.44409	0.7
793.43787	100.0
794.44147	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	793.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	9.8
61.98698	7.5
63.24177	2.7
71.01263	4.1
71.57758	5.5
71.58116	4.3
72.87659	3.6
78.95787	7.5
79.95635	3.6
80.96400	5.8
82.46058	3.0
89.02314	4.1
96.95900	12.5
97.02821	5.1
97.06499	3.1
101.02335	6.2
102.75888	3.2
110.88873	3.2
113.02310	3.7
117.81062	3.0
128.71875	3.1
141.90790	3.2
152.99583	3.8
161.04407	4.9
171.10170	11.3
195.13887	3.6
201.11259	42.8
209.11760	76.7
210.12057	3.4
211.13365	4.4
225.11005	3.9
227.12761	18.0
235.08217	7.7
253.09262	40.3
275.20172	9.7
283.13901	4.0
293.21204	100.0
294.21442	8.1
295.22159	3.2
296.59967	3.3
309.20728	10.6
434.76648	3.5
437.20175	7.2
445.20776	9.2
461.23172	8.5
529.30060	7.0
547.17474	3.4
554.07843	3.6
713.40674	6.4
749.53027	3.4
793.41150	34.4
794.41791	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	793.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	5.3
61.98688	7.7
63.22303	2.5
71.01235	4.6
78.95774	9.5
80.96365	4.3
82.17632	2.7
85.02814	3.1
87.00716	3.4
89.02338	3.3
96.95894	11.6
111.08028	2.5
112.78505	2.5
152.89389	5.0
152.99521	2.8
171.10149	10.1
195.13777	4.6
201.11226	44.9
207.10178	4.8
209.11768	76.2
210.86334	2.9
211.13283	5.1
223.13358	5.9
225.11270	6.1
227.12822	18.4
235.08131	8.0
237.67711	3.0
247.13203	3.0
247.91920	2.7
253.09242	35.4
275.20105	8.6
283.13678	3.8
291.19513	3.9
293.21216	100.0
294.21591	8.1
309.20587	6.7
385.00455	9.4
437.20096	5.2
445.20633	12.0
461.22849	11.9
477.31888	4.9
529.29913	11.0
593.77661	3.4
713.40967	7.6
774.43158	3.6
793.41626	27.4
794.41180	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	793.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95593	0.2
59.01241	0.6
64.72226	0.3
71.01255	0.7
71.57347	0.5
73.02441	0.5
73.02821	7.2
75.00751	1.3
85.02829	0.3
89.02312	0.4
99.00757	2.8
99.92464	11.2
100.92467	0.3
114.93356	0.4
115.00247	0.3
115.35563	0.2
116.03416	0.4
116.92751	100.0
116.97132	3.8
117.01830	13.1
117.05468	0.7
117.92769	4.1
152.99487	0.3
155.28018	0.3
205.17517	0.3
294.77917	0.3
335.17633	0.3
360.39346	0.3
397.13559	0.4
415.14746	0.4
716.63617	0.3
808.09113	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.7
60.91704	0.2
69.30164	2.2
71.01249	0.4
73.02822	7.7
74.88422	0.2
75.00761	1.0
78.95783	4.0
86.97220	0.2
87.47191	0.2
89.02338	0.3
93.82634	0.2
94.17052	0.2
96.96852	0.4
98.20621	0.4
99.00754	2.7
99.92463	9.6
100.92483	0.5
113.87826	0.2
114.93301	0.7
115.00258	0.4
115.99780	0.3
116.03385	0.4
116.92748	100.0
116.97130	0.8
117.01826	13.7
117.05441	0.6
117.92754	3.5
123.71563	0.2
140.01028	0.2
152.99493	6.2
241.40843	0.2
263.86395	0.2
277.21744	1.4
278.22086	0.5
394.46844	0.2
397.13303	0.3
514.20007	0.3
792.43042	0.9
793.43219	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	791.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	18.8
65.58098	13.5
67.73709	11.9
76.94872	13.1
78.95775	57.9
80.96378	31.5
109.38480	14.6
110.55791	12.8
110.74838	15.0
112.78941	14.2
152.99474	58.0
171.10097	27.5
209.11731	93.1
253.21689	19.1
265.17944	30.5
273.18698	20.4
277.21649	100.0
293.21378	15.2
295.46741	17.9
327.21713	33.6
441.18420	14.9
452.13672	16.7
555.25671	47.5
708.01801	13.9
791.48242	92.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	91.8
64.54692	30.3
71.58310	40.1
77.43622	33.3
78.95766	48.5
80.96412	70.6
85.86052	29.9
94.98046	40.9
96.95867	71.2
97.16482	31.7
99.14848	33.0
107.13605	31.6
128.27739	37.1
206.80881	32.5
211.13358	73.5
216.82104	31.7
253.09312	36.8
277.21863	36.4
293.21216	43.4
325.18213	59.7
628.64569	33.4
724.00037	44.3
791.42273	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	789.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.7
57.03326	1.2
58.00443	0.5
59.01246	8.1
61.98690	1.7
69.03308	1.4
71.01254	7.0
72.99181	0.8
73.02812	1.1
75.00745	0.8
78.95761	1.3
83.04885	1.1
85.02821	3.4
87.00738	1.4
89.02312	3.6
96.95889	23.9
97.02817	2.1
97.06498	0.8
98.19836	1.5
98.95455	1.5
101.02323	4.6
107.83678	0.5
111.08037	2.0
113.02290	1.9
116.92722	1.7
119.03423	1.2
123.08007	0.8
125.09597	1.2
137.09631	1.3
153.12759	0.7
161.04425	2.6
163.11145	1.4
165.12735	2.3
167.14252	1.6
169.12291	0.8
171.10152	8.3
171.77721	0.7
172.00024	0.8
175.11253	0.6
179.05534	1.0
181.12286	1.1
183.13834	9.1
183.64175	0.6
185.11691	1.1
192.79449	0.6
193.12302	3.1
196.64246	0.6
197.11769	13.5
198.12209	1.0
199.13287	2.0
201.11255	1.3
207.10236	0.9
209.02885	0.7
209.11749	5.4
211.13332	100.0
212.13670	6.7
222.22093	0.6
223.13310	1.1
225.11296	2.1
225.14917	1.5
227.12946	3.3
229.14386	1.0
229.82430	0.6
235.08238	1.4
239.12749	0.5
243.12175	0.9
247.20680	1.6
253.09273	27.1
254.09622	1.4
273.18506	0.6
291.19647	22.0
292.20050	1.3
306.07858	0.8
309.20697	66.1
310.21024	5.1
311.39063	0.6
322.75418	0.6
327.21799	2.6
344.21317	0.7
353.87576	0.7
368.82440	0.6
545.29669	2.3
771.41730	0.6
789.41968	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	789.4641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.5
57.03315	0.8
58.00470	0.8
59.01252	6.9
61.98700	0.9
69.03338	0.8
69.94076	0.4
71.01254	6.5
71.58574	0.9
73.02832	0.8
75.00713	0.5
78.95782	1.4
80.02591	0.5
83.01266	0.7
83.04882	1.1
85.02825	2.2
86.05257	0.4
87.00742	1.1
89.02320	3.7
95.04939	0.6
96.95889	13.7
97.02800	1.1
98.95467	1.0
99.00806	0.6
101.02323	5.6
109.06467	0.8
111.00835	0.7
111.08046	6.3
113.02336	2.8
119.03384	1.2
121.02669	0.4
125.09647	0.5
130.86284	0.5
133.04927	0.8
135.69514	0.5
137.09657	0.6
151.11295	0.7
153.12761	0.5
161.04486	1.8
163.11198	0.5
165.12738	0.9
167.14336	0.8
169.12234	2.3
171.10168	4.4
179.05525	0.8
180.37941	0.5
181.12224	0.7
183.13847	8.3
184.14188	0.5
185.11780	0.7
191.01924	0.6
193.12259	2.0
197.11775	34.9
198.12144	1.6
199.13295	3.8
201.11307	0.9
207.10210	0.6
209.03044	0.6
209.11803	2.9
211.13344	100.0
212.13680	5.2
221.98875	0.4
225.11337	2.1
227.12874	2.0
229.14415	0.8
235.08125	0.8
236.01877	0.6
243.16063	0.7
253.09273	30.3
254.09612	1.4
263.20108	1.3
265.18106	1.2
273.18686	0.8
275.41974	0.5
291.19650	15.1
292.19916	1.4
297.01367	0.5
309.20703	55.7
310.21085	5.6
327.21765	2.5
343.21310	0.6
346.96439	0.5
397.13519	0.5
433.20734	1.1
545.29816	2.6
789.42413	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	789.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01763	8.3
59.01245	14.0
60.99158	7.2
61.98700	50.6
70.33232	6.9
71.01251	55.4
78.95782	27.1
79.95612	12.3
80.96392	30.0
85.02836	11.9
87.00708	11.0
88.98674	100.0
89.02309	36.7
89.53885	5.9
96.95892	64.6
98.19764	18.4
99.00721	9.5
101.02302	15.4
109.06387	8.1
123.43333	6.1
126.17046	7.1
135.08043	7.3
152.99478	6.7
157.66756	6.6
166.57106	6.0
169.12103	9.4
171.10175	47.8
181.12071	7.0
197.11765	21.4
199.09668	13.2
207.10216	25.7
209.11749	16.7
211.13319	10.5
215.56018	7.0
223.13344	8.6
225.11278	52.4
227.12883	9.1
229.56749	7.7
235.08232	11.7
243.11893	6.3
253.09209	13.5
291.19629	21.2
293.21182	14.2
309.20746	35.9
311.22281	8.2
327.21692	26.3
461.20273	18.1
519.72980	6.6
541.17920	6.8
622.14801	7.6
753.40686	33.0
789.37408	84.4
790.38708	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35123	0.1
59.01252	0.8
61.27974	0.1
61.98694	0.3
69.03346	0.1
69.36446	0.7
71.01248	1.0
71.04898	0.1
72.99152	0.1
75.00767	0.1
78.95775	1.3
79.95611	2.8
83.04925	0.1
85.02814	0.3
87.00757	0.2
89.02331	0.3
93.03333	0.1
95.04894	0.2
96.95890	100.0
97.02782	0.1
97.06468	0.1
97.95828	0.3
98.02379	0.2
98.20554	0.2
99.00778	0.1
101.02319	0.2
113.02366	0.1
118.96552	0.2
125.02318	0.1
125.09587	0.2
152.99487	0.2
167.10628	0.1
169.12218	0.1
171.10184	0.8
179.91576	0.1
181.12317	0.1
185.11772	0.4
191.01910	0.2
194.06589	0.1
197.11853	0.3
201.11279	0.4
207.10201	0.3
209.02925	0.1
209.11699	0.5
210.12167	0.1
211.13388	0.3
225.11269	0.4
227.12758	0.2
229.87363	0.1
237.14772	0.1
253.09309	0.3
259.99350	0.1
271.02606	0.1
291.03769	0.1
293.21143	0.7
299.01929	0.2
309.20703	0.2
314.04468	0.2
315.05084	0.3
327.21823	0.5
343.21097	0.1
354.09689	0.2
397.13504	0.3
415.14877	0.2
435.08270	0.3
453.09204	2.1
461.30194	0.1
581.91693	0.1
729.30237	0.3
734.27429	0.1
771.41772	0.1
788.42444	0.2
789.43506	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.4
57.03320	2.1
58.00478	1.8
59.01257	41.2
69.03318	4.7
69.25195	14.5
69.25619	3.1
71.01257	32.3
72.99196	3.5
73.02824	13.2
78.95790	2.1
81.03326	2.4
83.01260	3.8
85.02831	15.3
89.02316	17.7
97.02832	5.9
99.00780	3.3
101.02328	24.6
103.03896	15.1
105.49106	1.5
107.04884	2.7
113.02326	3.2
119.03436	7.5
122.03629	10.4
124.96998	2.1
125.02353	22.5
127.03944	2.6
128.03369	1.9
135.04425	52.3
136.05234	8.1
137.05972	1.9
143.03427	2.9
145.04974	3.0
148.05217	9.1
149.06046	3.3
159.58257	1.4
163.06042	18.7
164.04608	1.5
165.02652	1.5
174.06821	2.7
175.07484	2.1
189.09088	3.0
202.09959	1.6
230.12929	2.1
242.13066	4.9
245.15488	11.2
247.08174	3.9
257.15439	7.2
274.15756	5.5
275.16537	100.0
276.16882	6.1
293.50748	1.5
307.10355	20.8
350.52997	1.5
400.03351	2.0
479.64441	2.0
583.27637	73.9
584.27966	7.1
598.22821	1.7
622.84113	1.7
625.47900	1.7
627.26477	5.5
737.64594	2.2
789.31989	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	787.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	2.1
59.01258	14.1
60.33118	1.6
61.98703	6.0
69.03327	1.7
69.88251	4.0
69.88666	6.0
71.01255	26.3
72.99193	2.2
73.02821	2.6
78.95790	7.3
79.95664	2.0
80.96413	2.8
81.03334	3.1
83.04903	4.3
85.02824	4.2
87.00742	8.7
89.02322	4.8
89.42705	1.8
93.03343	1.6
95.04890	1.8
96.95876	9.1
97.02842	3.5
99.00785	2.4
101.02311	4.8
109.06467	3.4
111.08025	4.0
113.02311	3.6
119.03419	1.9
125.09641	2.4
142.27029	1.6
152.99477	2.9
161.04472	3.1
163.11182	6.0
165.12772	4.0
169.12268	11.7
171.10217	22.5
179.05482	2.1
181.12294	2.5
197.11783	27.0
199.09746	2.0
199.13271	2.2
201.11281	7.1
207.10217	3.6
209.11784	100.0
210.12149	6.5
211.13350	6.6
225.11275	5.6
227.12851	13.1
235.08191	7.3
253.09285	18.2
259.15463	4.6
283.13916	2.4
289.18100	3.6
291.19647	22.6
292.19849	2.6
293.21100	2.0
295.84735	1.8
307.19214	5.1
309.20694	53.2
310.21017	3.7
425.20181	2.0
787.41504	7.5
788.40820	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	787.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	2.0
57.52742	1.4
59.01251	20.4
61.98692	6.3
63.32202	1.4
64.83553	1.3
66.41461	1.5
69.03349	2.1
69.65089	3.1
69.65505	6.4
71.01252	40.7
72.01588	1.2
72.99189	2.6
73.02810	4.2
75.00749	3.1
78.95782	8.1
79.87367	1.2
79.95553	1.2
80.96381	3.8
83.01228	1.6
83.04904	2.7
85.02823	4.1
87.00756	8.8
89.02306	5.6
91.85264	1.3
96.95876	6.3
97.02814	4.0
97.06471	2.5
99.00745	1.8
101.02326	7.7
109.06478	3.8
111.08034	6.3
112.17078	1.2
113.02300	6.1
119.03370	1.8
125.09602	5.2
137.09593	1.4
151.11191	2.3
152.99524	2.1
161.04463	4.3
163.11168	3.0
165.01906	1.6
165.12810	2.1
169.12253	100.0
170.12651	4.9
171.10178	57.7
172.10564	3.2
179.05515	2.0
185.11732	4.2
197.11766	37.0
199.09601	2.4
199.13359	3.7
201.11208	7.9
207.10187	7.3
209.11771	34.9
210.12082	2.6
211.13321	6.4
213.11145	2.5
215.12856	1.9
225.11227	10.3
227.12782	6.1
235.08211	19.5
241.10555	1.8
244.40411	1.5
245.19043	2.5
253.09244	24.4
257.04800	1.3
259.15289	2.0
263.20239	2.1
289.18106	8.0
290.18481	1.6
291.19662	27.5
292.19830	2.0
307.19223	4.4
309.20682	71.2
310.21082	6.8
341.23245	2.4
405.21234	10.1
433.20602	1.9
445.20636	1.7
461.20313	2.0
527.28802	7.5
545.29614	4.6
697.41504	1.9
735.52539	1.5
741.40594	11.7
759.41205	7.4
769.40918	1.9
787.42529	13.3
788.42224	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	787.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.6
57.03323	4.1
58.00457	0.8
59.01249	10.4
59.24996	0.8
61.98690	1.7
69.03328	4.9
69.40044	6.4
69.40462	1.8
71.01249	9.8
71.04869	2.7
72.99178	1.1
73.02810	2.5
78.95767	1.9
79.95618	1.5
80.96382	1.4
81.03358	0.8
82.95288	0.8
83.01247	1.0
83.02383	1.0
83.04898	2.6
85.02821	11.2
87.00748	2.2
89.02327	6.1
92.04938	6.7
95.04920	2.0
96.95887	25.5
97.02821	5.0
97.06457	2.5
99.00742	1.9
100.50204	0.9
101.02318	8.0
109.06478	2.6
111.04359	1.7
111.08041	1.2
113.02304	3.7
119.03409	1.7
121.02840	1.0
121.74849	0.8
123.08019	1.7
125.09590	6.6
127.11194	1.6
133.04993	1.3
134.92488	0.8
136.03935	16.6
137.09592	2.5
151.11176	2.9
153.12773	1.2
155.10643	0.9
161.04390	2.4
161.09673	3.8
163.11130	2.8
165.12779	0.9
171.10173	36.4
172.10538	1.6
179.10704	7.9
181.12238	2.3
183.13800	2.5
185.11734	2.1
193.12231	1.1
197.11758	87.0
198.12129	5.6
199.13268	1.9
201.11208	3.7
207.10228	4.9
209.11771	12.4
211.13351	11.4
215.12956	1.1
221.11768	1.8
223.09723	1.1
225.11276	8.7
227.12834	2.7
229.14423	5.0
235.08321	2.3
239.12836	1.6
241.08675	1.0
241.10959	4.3
243.12262	1.9
253.09259	8.1
267.50781	1.0
277.80313	0.8
282.16617	0.9
291.19751	1.1
309.20691	1.7
325.20212	6.9
326.20508	1.2
327.21777	16.7
328.22333	2.0
341.19659	1.0
341.23251	1.0
343.21399	1.0
347.29971	1.0
471.09381	0.8
477.19531	1.6
769.40656	1.5
787.41180	100.0
788.27570	1.7
788.41492	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	29.4
61.98704	29.7
69.03313	7.2
70.31715	20.8
70.32104	14.0
71.01260	29.1
75.00746	17.6
78.95773	48.6
79.95613	18.8
80.96384	61.6
85.02814	9.9
87.00761	11.2
92.99747	6.7
94.97974	12.9
96.95892	8.0
101.02362	8.0
103.03880	9.9
125.09641	11.1
152.99492	18.4
153.59319	7.8
163.11203	10.5
164.98514	11.9
171.10185	31.1
197.02620	9.1
197.11801	17.7
207.10262	11.2
209.11813	15.9
223.13388	45.0
225.00699	18.2
225.11369	9.1
253.09363	14.2
277.21564	9.5
291.19626	12.1
293.21344	14.1
297.15121	7.4
309.20590	37.9
351.22675	7.7
364.33496	7.8
459.22592	16.4
558.61786	8.5
736.11658	9.8
787.39612	100.0
788.39630	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	787.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.4
57.03329	0.3
58.00462	0.8
59.01251	12.9
69.97293	0.9
69.97701	0.6
71.01253	8.2
72.99183	13.4
73.02799	0.7
75.00744	12.9
83.01266	1.0
85.02814	2.6
87.00766	0.5
89.02319	7.0
95.01248	0.9
96.95897	1.2
97.39856	0.3
101.02318	3.7
111.92829	0.8
112.93623	0.8
113.02332	2.5
119.03379	2.4
123.04477	1.5
123.05190	0.3
123.08280	0.2
131.03481	0.4
133.04959	100.0
134.05272	2.2
143.03421	0.5
159.08070	0.3
161.04524	0.3
161.09612	1.0
179.05554	1.3
179.10709	1.5
203.10660	0.4
209.02890	0.3
223.09735	1.8
229.08630	0.6
247.09744	0.6
265.10730	0.7
273.12585	0.6
307.11856	0.6
317.11563	0.6
367.13962	2.6
373.72049	0.4
491.19473	0.9
517.36536	0.4
547.20227	1.4
549.19635	1.5
607.23999	17.1
608.24200	2.2
671.25684	0.4
693.09583	0.3
729.25079	0.4
787.16583	0.6
787.30377	10.3
788.30554	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	787.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	0.2
62.87084	0.2
67.01730	0.3
69.37713	0.2
69.48852	0.2
69.49201	1.7
71.01257	0.4
71.65681	0.2
75.00727	0.2
83.01269	0.2
93.03342	0.4
109.02863	0.3
111.00757	0.4
119.04913	0.2
121.02840	3.6
133.04962	1.8
134.03633	0.3
134.05295	0.2
135.04431	1.7
136.01601	0.3
137.02361	0.6
137.05986	1.8
149.02342	38.6
150.02699	1.4
150.03731	0.2
151.03864	0.3
151.37535	0.2
152.01044	3.8
162.03227	0.2
163.03914	2.7
164.04694	42.0
165.01840	0.6
165.04965	1.4
166.02570	0.3
167.03450	0.6
169.05003	1.9
177.05447	0.2
177.96143	0.2
179.07056	18.4
180.07378	0.8
193.01341	7.0
193.02708	0.2
207.02870	0.2
208.03703	27.6
209.04066	1.1
222.05251	0.3
223.06061	100.0
224.06364	4.1
236.24004	0.2
265.07095	1.0
385.11414	10.4
386.11746	0.5
670.55737	0.2
753.72723	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	6.0
61.20706	0.8
61.98699	8.7
63.96101	2.1
64.14756	0.7
69.03310	0.9
69.22383	3.6
69.22810	4.6
71.01250	12.5
71.17767	0.6
73.02812	3.2
74.59592	0.8
74.80842	0.7
78.95779	5.1
78.98460	9.1
79.95607	18.1
80.96387	100.0
81.03325	1.4
81.95183	2.1
81.96342	0.9
82.95965	13.3
82.96770	1.8
84.08737	0.8
85.02815	5.3
87.00731	4.4
94.97954	23.6
96.95873	1.6
96.97546	3.3
97.02843	4.1
99.00726	1.0
101.02317	3.4
106.97961	4.1
122.97485	3.7
123.31712	0.9
125.02364	4.3
127.03889	1.5
134.97462	6.8
136.97031	1.7
136.98997	1.8
148.99046	7.7
149.99332	0.9
150.98605	0.9
152.98511	6.8
152.99513	1.8
164.98541	14.8
165.98778	0.8
166.98065	1.6
169.12202	0.9
171.10143	3.1
181.12305	0.8
182.25053	0.8
206.99600	3.0
209.11771	3.1
210.12059	1.6
225.00708	21.9
225.11288	1.5
226.01074	3.7
227.00154	4.2
227.12808	0.9
228.12946	0.8
253.09419	1.3
255.23242	1.5
277.21704	12.5
278.22018	2.2
289.18033	5.0
293.21143	0.8
364.28128	0.8
485.15387	1.6
507.15005	1.4
554.03534	0.8
741.39673	2.7
767.39246	1.1
784.42456	8.0
785.40186	79.0
786.38470	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	785.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	4.0
63.20404	1.2
69.56812	9.7
71.01212	1.1
79.54485	1.1
87.00798	1.3
93.03330	8.9
94.02850	5.1
96.04408	1.7
96.95922	1.7
120.08065	8.0
121.08401	3.4
122.05997	3.4
138.05498	2.9
143.04890	4.7
152.07085	7.9
153.07350	2.7
158.02496	1.6
159.04413	1.6
163.00261	4.7
164.07043	2.2
169.06523	1.5
171.04390	2.9
173.06004	1.6
176.01022	3.4
181.06502	3.0
183.04391	3.8
190.05005	5.0
191.05301	2.4
195.04456	2.8
196.05214	1.8
197.06017	13.1
198.03235	1.7
199.03941	31.8
200.04279	1.7
201.05492	7.5
203.24001	1.1
211.03937	4.7
212.04550	1.8
213.05484	4.1
223.03947	2.9
224.04720	6.2
225.05511	14.9
226.02704	1.6
226.12389	6.1
227.03421	18.2
227.12596	4.2
228.03894	2.0
239.03487	8.9
240.04189	3.9
241.05013	18.2
242.05434	1.3
251.03525	1.8
252.04170	1.5
253.04982	1.4
255.03114	2.7
261.12384	1.5
267.02969	41.1
267.05838	2.6
268.03687	9.4
269.04562	25.3
270.11380	2.7
281.08008	1.6
295.02512	10.5
296.03256	32.2
297.04031	89.5
298.04419	6.7
311.41144	1.5
324.10709	1.5
333.07684	55.0
334.07913	5.1
355.12970	15.6
356.13297	13.0
357.13501	3.3
361.07144	15.1
362.07751	5.2
368.16873	1.4
390.07437	60.4
391.08081	10.5
469.67148	1.3
477.19055	3.4
489.18954	4.9
507.20523	3.6
519.20099	1.3
605.33612	1.7
615.25317	1.8
647.16193	30.8
648.16290	2.9
741.20337	100.0
742.20630	15.2
784.33325	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	785.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	4.0
63.20404	1.2
69.56812	9.7
71.01212	1.1
79.54485	1.1
87.00798	1.3
93.03330	8.9
94.02850	5.1
96.04408	1.7
96.95922	1.7
120.08065	8.0
121.08401	3.4
122.05997	3.4
138.05498	2.9
143.04890	4.7
152.07085	7.9
153.07350	2.7
158.02496	1.6
159.04413	1.6
163.00261	4.7
164.07043	2.2
169.06523	1.5
171.04390	2.9
173.06004	1.6
176.01022	3.4
181.06502	3.0
183.04391	3.8
190.05005	5.0
191.05301	2.4
195.04456	2.8
196.05214	1.8
197.06017	13.1
198.03235	1.7
199.03941	31.8
200.04279	1.7
201.05492	7.5
203.24001	1.1
211.03937	4.7
212.04550	1.8
213.05484	4.1
223.03947	2.9
224.04720	6.2
225.05511	14.9
226.02704	1.6
226.12389	6.1
227.03421	18.2
227.12596	4.2
228.03894	2.0
239.03487	8.9
240.04189	3.9
241.05013	18.2
242.05434	1.3
251.03525	1.8
252.04170	1.5
253.04982	1.4
255.03114	2.7
261.12384	1.5
267.02969	41.1
267.05838	2.6
268.03687	9.4
269.04562	25.3
270.11380	2.7
281.08008	1.6
295.02512	10.5
296.03256	32.2
297.04031	89.5
298.04419	6.7
311.41144	1.5
324.10709	1.5
333.07684	55.0
334.07913	5.1
355.12970	15.6
356.13297	13.0
357.13501	3.3
361.07144	15.1
362.07751	5.2
368.16873	1.4
390.07437	60.4
391.08081	10.5
469.67148	1.3
477.19055	3.4
489.18954	4.9
507.20523	3.6
519.20099	1.3
605.33612	1.7
615.25317	1.8
647.16193	30.8
648.16290	2.9
741.20337	100.0
742.20630	15.2
784.33325	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	785.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12305	0.2
59.01247	0.5
61.98690	0.3
71.57708	0.3
77.03826	0.3
78.95798	0.4
80.96402	0.4
84.43752	0.2
87.00751	0.4
87.24506	0.2
89.02292	0.2
89.55587	0.2
91.01801	0.4
93.03336	0.3
95.01249	0.3
96.95944	0.2
101.02306	0.2
105.01874	0.2
108.90079	0.6
113.02354	0.3
116.55268	0.2
120.02082	0.4
121.02842	100.0
122.03175	3.4
136.01537	0.5
158.31311	0.2
165.01877	2.4
171.10173	0.3
179.65100	0.2
180.05705	0.5
181.06509	1.8
191.03426	2.0
197.05998	0.3
197.11711	1.4
201.53923	0.2
209.04489	63.6
209.11679	1.3
210.04819	2.9
210.11986	0.3
223.13315	0.5
225.05510	2.4
226.05815	0.2
253.09241	0.4
276.21790	0.2
277.21725	0.9
289.18124	0.7
291.19717	0.9
293.21210	0.5
309.20737	0.4
313.07153	5.2
314.07520	0.4
327.22006	0.2
357.06058	1.8
401.08749	10.2
402.08832	0.8
454.78339	0.2
549.10742	0.5
550.27246	0.2
553.93011	0.3
668.65002	0.2
741.14795	0.4
785.17114	0.9
785.40460	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	3.0
61.98693	1.4
62.39376	0.3
63.40224	0.3
71.01254	0.5
71.07568	0.3
75.00750	0.9
78.15456	0.3
78.95758	0.6
80.04931	1.0
82.02850	1.1
85.02833	0.8
86.63886	0.3
93.03339	39.3
94.02867	15.6
94.03645	0.7
96.95885	0.8
104.04969	0.4
106.06513	1.2
108.04419	2.4
108.08076	1.8
110.06010	0.4
111.00771	0.4
111.35679	0.3
118.06492	0.5
120.08087	6.0
121.02845	1.5
121.05217	0.9
130.02858	0.5
132.04456	5.3
133.04959	0.4
134.06033	3.1
136.07590	23.5
137.07933	1.1
138.05528	4.4
147.03032	0.4
148.04132	1.5
148.07588	100.0
149.07954	3.8
150.05539	0.3
152.03346	0.3
152.05960	0.5
152.07095	6.9
153.04236	0.8
156.06552	0.6
158.02403	3.1
160.03946	0.9
162.05482	0.5
164.03349	0.4
164.07069	1.2
171.10121	0.5
173.04814	0.3
176.03429	1.1
180.06586	28.6
181.06908	1.3
184.06189	0.3
188.07043	1.1
190.05025	13.6
191.05450	1.0
191.55914	0.3
192.06584	2.4
209.02994	0.4
209.11868	0.4
211.08469	0.4
214.08656	1.2
226.08723	0.6
237.10289	0.3
239.12038	0.6
242.11842	0.6
251.08168	0.6
251.11815	0.8
253.09898	0.5
264.09088	0.3
265.09634	0.3
267.11386	0.5
268.09708	0.4
269.12814	0.4
277.06039	0.4
279.08170	0.4
279.11368	1.4
280.12128	1.4
286.10855	85.2
287.11227	5.8
287.14279	0.3
294.10010	0.3
295.10852	2.0
307.10864	3.9
308.11404	0.5
323.10507	0.3
324.11230	1.5
325.11682	0.5
339.13498	55.7
340.13840	6.6
355.12994	0.4
372.13397	1.1
425.17191	0.8
444.19553	1.4
478.19864	0.9
488.18219	5.0
489.18478	0.8
496.21249	0.5
520.20892	7.8
521.21320	1.2
566.22827	0.6
598.25610	4.4
599.26056	0.8
783.32214	2.6
784.32800	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.3
71.04397	1.5
73.68777	0.7
73.91100	0.6
82.02870	1.1
85.67906	0.5
93.03328	7.5
94.02863	15.6
94.06502	1.0
96.04431	6.5
98.20273	0.7
101.56280	0.6
102.16562	0.6
104.04923	0.8
105.05732	1.2
107.03633	1.6
108.04456	1.2
120.08074	28.5
121.08421	1.1
122.06017	9.6
130.02888	1.2
131.03630	0.7
132.04453	1.7
134.05986	1.3
134.09541	0.7
136.03905	0.9
138.05502	8.3
147.03082	0.6
150.05537	2.6
152.07077	21.7
153.07458	1.1
158.02397	5.4
160.03896	1.4
164.07092	7.1
176.03435	1.7
190.05025	21.9
191.05388	0.8
210.09215	3.1
211.09702	0.8
223.08841	0.7
224.10732	1.4
226.12323	26.5
227.12473	1.4
229.13440	1.8
237.10263	1.4
251.08353	1.3
258.11221	0.8
261.12411	4.3
265.09833	2.2
266.10385	0.9
270.11310	10.0
279.11316	1.4
293.09302	1.1
295.10956	1.7
296.11560	2.7
297.12466	1.7
303.13504	3.7
323.10443	3.2
325.11908	1.3
331.14569	0.7
337.12314	0.9
340.10748	1.8
355.12982	100.0
356.13345	9.2
367.16620	7.9
368.16943	1.1
409.17603	3.4
427.18869	0.7
463.09085	0.7
520.21179	0.7
585.22888	0.9
614.25055	8.4
615.24988	1.1
617.26129	2.2
645.25659	3.4
646.25507	0.9
651.29169	0.9
677.27826	3.5
744.33105	0.8
770.18646	0.7
783.32471	8.4
784.32990	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	783.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	4.9
61.98690	1.0
62.09995	0.8
66.27548	0.9
71.01250	1.9
71.57546	1.3
72.99213	1.3
75.00739	2.0
78.95760	1.1
80.04922	2.0
82.02866	1.3
85.02812	2.8
86.26817	1.1
89.02336	1.4
93.03331	8.0
94.02858	29.4
94.06501	3.1
96.04446	4.4
96.95894	4.8
101.02331	1.3
104.04945	1.3
106.06522	2.7
107.03629	5.7
108.04401	2.2
110.05976	1.1
120.04382	1.6
120.08083	20.1
122.06003	43.9
123.04372	2.5
123.06324	2.3
132.04471	2.0
133.04912	1.4
134.06013	7.3
136.03983	1.3
137.86952	1.1
138.05511	11.2
139.02620	3.3
150.05504	3.1
152.07072	100.0
153.07439	4.7
158.02368	3.2
160.03929	1.6
164.05762	0.8
164.07063	6.4
165.05516	1.3
190.05008	17.1
190.06590	1.5
199.13193	1.1
209.07127	1.7
209.11717	1.2
210.09181	1.9
211.08800	1.1
211.12523	1.7
222.07875	1.2
223.08713	15.6
224.09415	5.9
225.10173	2.3
226.12337	17.8
235.12451	1.2
236.09348	1.9
237.10300	13.5
238.11075	12.4
239.11842	23.4
240.12199	1.8
245.12949	1.6
249.10013	1.0
251.08401	0.9
251.09102	1.1
251.11887	12.4
259.10703	1.1
261.12430	2.2
262.07138	0.9
263.08112	2.8
263.11508	1.0
264.09100	4.6
265.09772	2.9
267.11386	1.5
268.08557	1.3
268.11646	1.0
270.11267	3.7
271.10855	12.8
277.09851	2.8
278.10632	2.4
279.11356	14.6
280.11786	1.7
283.10834	4.9
291.11249	5.3
292.12085	1.5
295.10794	4.8
297.12357	1.5
303.13474	1.7
305.09323	1.3
313.11673	0.9
323.10440	5.2
324.11093	1.6
325.12003	2.2
325.20190	1.2
337.11856	3.6
340.10565	1.5
355.12970	47.8
356.13306	3.6
367.16641	3.2
376.20367	1.2
389.17502	1.4
402.18231	19.0
403.18576	3.1
404.19775	6.0
405.20248	1.3
409.17331	2.0
420.19327	1.4
440.74500	1.1
444.19141	4.6
445.19342	1.6
446.17282	2.9
447.18192	2.1
448.18750	58.0
449.19086	7.8
488.18311	10.6
489.18796	2.3
520.20856	10.4
521.21442	1.0
541.24457	2.3
544.23438	1.8
554.22919	1.8
582.21582	1.2
585.23322	2.6
586.24719	1.9
594.22040	1.8
594.94165	1.0
601.25861	1.3
604.24878	2.5
605.95990	1.3
614.25311	4.1
617.26587	2.8
626.25201	3.4
627.24170	1.7
645.25580	10.0
646.26025	2.3
659.27051	3.1
677.27521	5.6
679.32086	1.6
691.27795	3.6
692.28137	1.1
723.30316	13.2
724.30731	1.5
733.28796	5.0
734.28949	1.3
751.29840	11.2
752.29510	1.3
765.31171	7.8
783.32544	27.0
784.32898	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	783.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	4.5
59.12867	1.1
70.97813	2.4
70.98188	2.1
71.01250	2.0
78.95771	1.3
80.04925	3.8
82.02861	2.6
85.02833	2.1
85.04793	1.0
89.02320	1.8
93.03332	35.7
94.02867	29.6
94.06507	3.5
96.04430	4.6
96.95892	9.3
104.04947	1.4
105.05736	1.1
106.06509	2.4
107.03656	5.9
118.97165	1.2
120.04450	1.6
120.08080	33.6
122.06007	43.6
124.07516	1.4
132.04509	5.7
133.05060	1.6
134.05992	7.9
137.04767	1.5
138.05508	14.7
139.02669	3.1
148.03906	1.4
150.05527	2.9
152.07079	100.0
153.07407	4.6
158.02402	4.2
160.03908	2.2
161.04762	1.8
164.07082	7.4
174.05559	3.6
190.04984	14.5
191.05534	1.4
201.11264	3.5
211.12282	1.4
212.10794	5.3
215.11761	1.9
217.13451	1.7
223.08690	4.2
223.12128	1.4
224.09473	2.0
225.10304	3.2
226.12314	14.1
229.13452	1.7
235.12282	2.0
236.09384	1.4
237.10284	9.9
238.10988	2.4
239.11797	5.4
245.12904	5.1
249.06688	3.2
249.10280	2.4
250.07414	1.6
251.08188	4.3
251.11813	4.6
252.08798	1.3
255.32990	1.4
261.12451	4.4
263.08212	4.1
263.11505	1.1
264.09064	6.8
265.09836	7.2
266.04050	1.4
266.10571	2.2
267.11472	5.7
270.11343	5.0
276.08813	2.0
277.09708	3.4
277.89859	1.1
278.10492	3.2
279.11368	34.3
280.11679	3.4
281.12946	2.7
291.11520	6.6
291.14499	1.2
292.11993	1.7
293.09103	1.9
294.09851	1.3
295.10913	4.7
296.11588	2.5
297.12363	2.0
303.13641	2.9
305.09357	1.7
306.02582	1.1
311.10349	1.1
313.11932	2.7
316.12079	3.1
323.10339	9.8
324.10983	2.3
325.11890	5.1
329.16479	1.5
330.13580	2.0
331.14435	10.8
334.15720	1.7
339.09625	1.6
340.10345	1.6
355.12964	42.8
356.13528	2.6
357.12323	2.5
367.16522	4.8
373.15546	10.7
376.16522	1.4
385.15424	2.3
388.16669	1.5
399.13693	1.7
400.20731	2.3
402.18112	4.8
416.15933	2.6
417.14679	1.9
444.19357	6.5
448.18689	2.4
476.18552	1.5
488.18109	5.4
489.19016	6.2
490.19449	1.3
520.20929	4.4
538.23334	13.7
539.23724	2.1
541.24835	1.5
580.21906	1.5
582.22406	68.7
583.22742	10.2
585.23456	6.9
601.26129	2.1
613.24414	2.8
614.25043	83.0
615.25464	13.2
617.26007	10.9
618.26062	2.0
627.24500	11.5
628.25244	2.4
644.52979	1.4
645.25604	19.2
646.26099	4.0
659.27094	14.7
660.27411	3.4
677.28156	16.8
678.28290	2.4
733.29199	1.9
765.31543	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	783.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	32.5
59.01249	100.0
61.47689	1.9
71.01241	12.6
71.57137	2.8
73.02839	3.9
82.20335	1.5
83.01225	2.7
85.02818	13.6
89.02293	4.7
96.95869	6.4
99.04398	29.7
101.02324	17.3
102.69823	1.4
113.02332	11.9
119.03323	1.8
125.02354	8.5
149.04414	3.4
149.06003	1.6
161.04433	7.0
165.02121	2.2
183.34143	2.0
191.01840	2.6
209.02896	2.7
269.10342	4.3
295.21811	1.6
298.22162	1.7
311.11398	5.6
351.14484	2.1
396.95340	1.9
413.14645	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	781.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42458	0.5
55.01756	0.6
57.03323	0.4
59.01249	12.1
60.41379	0.4
63.18453	0.3
69.03339	0.6
70.92944	0.7
70.93300	0.9
71.01245	6.2
71.04892	0.4
72.99170	0.5
73.02814	1.4
78.95788	1.2
78.98472	2.0
79.95593	4.0
79.95935	0.4
80.96387	21.5
81.03362	0.5
83.01254	0.8
84.43818	0.4
85.02824	1.5
87.00761	1.7
89.02319	1.4
94.97955	5.1
96.95866	0.5
96.96877	0.5
97.02821	4.2
97.06476	0.9
99.00754	7.3
99.33932	0.5
101.02319	2.6
102.33230	0.4
103.03856	0.4
106.07294	0.4
106.97968	0.9
109.06479	0.8
110.03571	0.6
113.02328	1.1
119.03379	0.7
122.97447	0.8
125.02345	1.4
125.09602	2.1
134.97446	1.9
135.07977	0.6
136.05190	0.7
142.02621	1.5
143.03423	0.4
145.04909	0.6
148.99025	1.9
152.98460	2.0
161.04439	0.9
163.11194	3.7
164.98517	4.0
181.12245	7.6
182.12703	0.5
197.11665	0.5
199.13231	0.6
206.99602	0.9
207.10194	23.9
208.10533	1.1
225.00697	7.7
225.11263	54.0
226.11574	2.6
235.08179	3.0
243.12334	7.9
253.09280	3.0
255.23212	1.4
259.20529	0.6
260.81729	0.4
277.21704	100.0
278.22040	6.6
387.16861	0.4
443.19379	4.9
444.19550	0.5
461.20160	6.3
479.61420	0.4
513.30048	0.7
525.16638	1.2
624.16107	0.5
721.41669	19.3
722.41742	2.9
765.43707	0.5
781.40424	27.7
782.40729	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	781.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.6
59.01247	12.6
63.96099	0.7
69.03328	0.6
71.01250	7.0
71.04847	0.4
71.21201	1.1
73.02819	2.1
78.95770	3.2
78.98460	2.1
79.91233	0.5
79.95597	4.0
80.96388	24.5
81.73739	0.4
85.02838	2.5
87.00753	1.6
89.02332	1.7
94.97962	5.8
95.01237	0.7
97.02824	4.6
97.06462	1.3
98.07204	0.4
99.00741	7.5
101.02314	3.9
106.97955	1.1
110.03599	0.8
113.02323	1.6
122.97448	1.0
123.08022	0.5
125.02342	1.6
125.09609	2.2
134.97444	2.0
135.08087	0.7
136.05229	0.9
136.99010	0.7
142.02611	1.5
148.99023	2.1
152.98534	1.8
161.04501	1.0
163.11188	4.8
164.98534	4.2
175.98399	0.5
181.12250	8.8
182.12656	0.5
199.13341	0.7
206.99586	0.9
207.10197	27.3
208.10545	1.0
209.11803	1.6
221.06934	0.4
225.00714	7.1
225.11256	51.7
226.11613	3.1
227.12930	0.8
235.08131	3.4
241.01144	0.6
243.12373	5.9
253.09241	2.9
255.23225	1.8
277.21704	100.0
278.22018	8.7
443.19043	3.6
461.20258	6.0
513.30939	1.0
525.16595	0.7
577.37543	0.7
721.41632	17.6
722.41840	3.6
763.39099	0.9
781.40485	28.6
782.40875	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	781.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48748	0.6
57.79237	0.6
59.01239	2.1
61.98700	0.9
62.43549	0.5
63.96093	1.4
64.85602	0.6
65.40269	0.5
69.03342	0.9
70.92916	1.4
71.01254	10.1
73.02810	1.7
77.67542	0.6
78.95769	9.0
78.98464	7.2
79.95195	0.3
79.95602	14.6
80.96388	79.2
81.03322	1.3
83.01244	0.7
83.04898	0.8
85.02824	2.9
87.00735	3.1
92.14709	0.6
94.97957	16.7
96.95876	1.7
96.96850	2.2
97.02817	1.7
101.02306	2.9
106.97998	3.8
113.60284	0.6
122.97480	4.2
125.02357	3.2
127.03912	0.7
134.97470	5.4
136.98956	1.0
148.99045	6.1
152.98515	6.3
152.99542	1.9
164.98541	14.9
166.99954	0.7
181.12091	0.8
206.99614	2.3
209.11761	7.0
225.00708	25.9
225.11134	1.4
226.00998	1.0
241.01196	4.0
255.23294	6.7
256.23581	1.1
491.78305	0.6
525.16620	1.8
537.27039	1.0
620.14203	0.7
763.38745	1.6
764.39813	0.8
781.40533	100.0
782.40839	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	2.5
61.53875	0.5
69.35719	2.0
69.36143	2.1
93.03336	24.1
94.02847	1.6
94.06517	0.7
96.17238	0.5
96.95895	1.1
108.04407	1.0
109.55195	0.4
111.00783	0.6
120.08055	1.4
122.06012	4.1
124.03925	2.2
132.04442	0.8
132.08069	0.8
133.21909	0.4
134.05936	0.9
136.03905	1.6
137.04733	0.6
138.05502	1.7
147.05516	1.2
150.05472	1.8
152.07068	4.7
158.02342	0.9
171.10242	0.5
175.05106	1.1
176.03392	0.7
182.09793	0.4
190.05013	5.6
201.10229	4.4
209.11839	0.7
213.10266	3.2
223.08687	0.6
225.10310	2.8
226.10771	0.9
227.11812	0.8
229.09804	7.7
229.13232	2.2
239.11897	3.3
240.12642	1.5
241.09755	1.6
241.13411	12.3
242.10464	0.4
242.13576	0.6
245.12865	1.1
247.10905	0.7
251.11935	1.3
254.10605	1.1
255.11438	0.9
257.12854	4.0
265.09787	0.7
269.12933	24.7
270.13275	1.2
272.11630	1.1
273.12311	0.6
287.13998	15.4
288.14407	1.2
289.11874	2.6
296.11639	0.7
297.12131	0.6
301.11929	10.9
302.12253	0.6
314.04163	0.7
319.12970	33.8
320.13272	1.6
323.10400	1.1
340.10541	0.7
355.12973	25.3
356.13333	1.4
381.17868	1.2
392.16061	0.6
407.16119	0.9
411.09058	0.5
425.17157	100.0
426.17462	9.0
519.11414	0.6
584.51172	0.5
599.25031	2.0
643.24274	3.9
675.26459	2.4
676.26660	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	781.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
63.91374	1.0
69.70745	1.8
69.71149	4.5
79.97448	0.9
82.02829	2.1
93.03346	4.3
94.02864	26.6
94.06485	5.3
96.95831	1.4
98.19774	1.4
107.03649	9.0
108.04448	1.0
110.05993	1.2
120.04444	2.2
122.06007	60.4
123.06339	1.7
124.07547	1.5
134.06003	9.2
137.99413	1.0
138.05478	4.4
139.02644	3.9
145.02785	1.1
147.06148	1.0
150.05482	3.8
152.07076	100.0
153.07413	3.5
153.14577	1.0
177.05522	1.1
202.15149	1.2
209.11766	3.3
230.34723	1.2
234.08109	1.1
235.08562	1.9
236.09409	1.3
237.10313	5.0
237.12366	1.2
248.09503	3.3
249.06595	1.5
249.07756	1.3
249.10320	17.0
250.07370	1.0
250.10954	3.7
251.11882	5.1
253.13406	1.8
261.10327	2.7
262.07535	7.9
262.10251	1.1
263.08231	21.1
263.11496	1.7
264.08948	5.9
265.09653	2.1
275.08167	3.7
276.08966	4.4
277.09796	27.7
277.12643	1.9
278.10583	47.1
279.11310	17.5
289.09796	4.5
290.10602	8.1
291.11371	15.3
292.12018	1.5
296.69443	0.9
307.11053	1.1
309.12015	1.5
319.12997	1.8
322.09485	3.2
323.10242	1.1
335.10309	1.2
354.12833	1.5
355.13693	1.1
356.14172	1.5
370.15656	3.0
374.15213	2.5
383.13486	3.7
384.17081	2.6
386.14691	1.5
395.13992	1.1
398.14920	3.5
398.19336	1.3
402.17786	2.8
410.14709	2.3
412.16660	2.8
413.17325	2.5
414.18225	3.6
415.19138	5.4
425.17172	3.4
426.18008	1.4
428.16187	3.5
442.17612	11.9
443.18481	25.1
444.19016	4.4
469.16330	1.4
474.20404	4.9
475.21335	2.3
487.17438	17.1
488.17941	5.2
518.19373	1.9
519.20142	3.1
520.21234	2.5
539.22888	3.2
548.22174	1.3
571.25378	2.0
581.24414	2.0
583.21997	2.5
599.25183	6.5
600.25616	1.2
602.24158	1.3
612.07764	1.1
615.24420	4.5
624.23334	4.1
625.23895	3.2
631.27673	6.8
643.24048	46.6
644.24286	8.5
657.25482	2.1
674.24731	1.2
675.26672	77.0
676.27106	12.4
721.28735	3.9
737.31824	4.3
738.32574	1.6
781.30890	63.7
782.31281	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	781.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	16.6
60.99178	3.7
61.98716	5.5
65.79675	2.5
69.03334	3.0
69.49863	22.1
70.83314	2.5
71.01260	11.2
72.74635	3.3
72.99163	4.9
73.02817	3.0
78.95774	5.5
82.02835	3.1
83.01284	3.2
85.02832	8.9
87.00786	4.3
88.98672	15.0
89.02365	3.7
93.03338	18.1
93.60622	2.6
94.02864	4.4
94.06518	4.8
96.04458	5.7
96.95866	5.1
101.02334	7.0
105.01823	4.1
107.03632	7.3
108.02046	24.6
108.04478	7.6
109.02850	10.6
111.00813	3.4
113.02326	5.1
120.04437	4.0
120.08073	27.9
121.08494	3.3
122.06008	100.0
123.06409	4.9
125.02357	12.5
125.09655	4.1
132.04465	7.0
134.06027	6.8
134.09647	4.6
136.03923	6.2
136.07594	5.2
137.02350	6.1
138.05569	4.1
144.04416	3.1
146.02403	4.0
150.05536	8.6
152.07062	50.5
154.05000	31.8
158.02393	4.9
160.04030	3.2
162.05670	3.2
164.03404	5.5
164.07071	6.1
168.06572	9.7
171.10208	16.2
174.01909	6.5
176.03285	4.1
180.06610	5.3
190.05061	31.4
191.01871	5.0
191.25504	2.9
192.06656	3.4
194.04538	15.8
195.03467	3.1
201.11249	6.0
206.04501	8.2
209.11774	6.5
210.09122	4.7
211.13608	3.1
211.20728	2.9
226.08817	4.5
226.12396	20.7
227.12796	4.8
229.14365	22.5
235.08504	5.1
237.10327	5.8
240.10182	8.2
249.06622	3.4
251.08203	3.4
255.15050	11.5
263.08319	4.0
264.09189	2.9
265.09827	8.0
269.12848	4.2
270.11392	6.3
277.09772	7.4
278.10605	4.9
279.07986	2.9
279.11368	12.8
282.10406	3.9
283.10992	3.4
287.13873	9.1
291.07742	3.0
291.11325	7.0
295.10837	4.4
296.11646	3.6
297.12457	3.4
311.10419	5.1
323.10370	8.0
323.18848	4.0
325.11887	7.1
327.09952	4.4
339.09973	8.5
340.10617	3.8
341.11444	4.8
343.13339	4.0
353.11395	12.2
354.12250	3.2
355.08975	4.5
355.13004	84.8
356.13327	12.3
363.17255	5.0
369.11029	16.8
370.11523	7.0
371.12485	11.2
387.11984	6.9
388.12576	3.6
397.13626	11.1
407.15979	10.3
408.16287	3.8
415.14670	4.5
420.03183	6.5
425.17151	9.7
435.05368	9.2
442.17499	4.8
444.19846	5.4
450.16629	5.4
488.18216	8.3
520.20917	46.5
521.21100	8.1
532.16382	3.5
568.13843	3.0
581.24316	3.4
614.25433	3.2
643.25238	4.4
657.12915	19.2
657.23035	5.1
658.13043	7.4
675.26849	7.4
781.30609	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	779.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	17.0
61.98705	1.6
69.03286	1.5
69.88491	6.7
71.01250	4.0
74.92516	1.0
80.96380	2.2
85.02853	1.2
89.02325	2.0
98.20490	1.4
101.02329	3.4
105.47349	1.2
113.02306	1.5
128.64539	1.2
148.22507	1.1
167.10658	2.8
169.47908	1.3
179.14279	2.8
195.13843	12.6
205.12254	9.7
223.13348	100.0
224.13681	4.3
235.08199	3.2
253.09259	8.8
275.20306	1.2
277.21710	74.9
278.22067	4.1
441.21307	2.3
459.22363	17.5
460.22424	1.3
621.19031	1.4
624.78052	1.2
719.43597	2.5
779.39771	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.7
59.01253	13.5
61.98682	0.5
63.97779	0.6
67.96647	0.8
69.38397	5.9
71.01254	9.2
72.99165	1.0
75.00739	1.1
78.95775	0.7
79.95657	0.7
81.87015	0.6
83.01251	2.0
85.02827	1.7
88.98682	1.4
89.02308	1.8
93.03349	4.7
96.95876	3.0
97.07014	0.7
98.19981	2.2
101.02334	5.5
107.03647	1.5
111.00745	0.7
113.02322	1.1
122.06013	6.0
123.06317	0.7
125.00552	2.2
133.04958	1.5
139.03877	0.6
145.02760	0.7
150.98462	2.2
152.07088	6.4
153.00067	3.7
153.07404	0.6
163.00314	0.7
165.00061	1.5
171.04422	1.4
171.10168	5.7
178.97987	5.5
179.97209	0.9
179.98767	10.6
180.99597	5.6
182.79736	0.6
183.04504	0.7
191.01892	0.8
201.11258	1.2
203.07034	0.8
206.97575	3.1
209.11716	2.0
212.04440	0.7
227.12848	0.8
228.04007	0.8
229.14377	4.0
239.03476	0.9
253.09309	1.4
256.03815	1.2
269.04581	0.8
271.06146	8.5
283.01013	0.8
323.18600	1.1
326.99646	10.0
327.99756	0.7
341.01208	0.8
377.06390	0.7
379.06491	1.2
391.02905	2.7
391.07886	0.9
391.19913	1.2
392.03506	2.6
397.13440	1.2
403.02902	1.0
405.06021	1.8
406.06345	0.9
407.05798	0.9
415.15051	1.1
419.02258	7.0
419.07562	1.6
420.03110	47.8
420.08206	2.5
421.03571	5.6
434.04813	2.5
435.05408	51.6
436.05814	6.3
453.06342	6.5
558.24365	1.0
597.10748	3.7
598.10162	0.8
598.23743	0.8
615.12231	3.4
630.25952	1.0
631.27710	0.9
643.24255	0.8
657.12848	100.0
658.13135	16.0
674.25232	2.7
675.26105	1.4
736.30951	0.8
737.08197	0.8
778.72742	0.8
780.28778	3.3
781.07721	2.2
781.29419	2.9
782.08179	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.33
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.8
59.01255	7.5
69.22618	0.7
71.01262	2.7
71.92480	0.7
72.99174	1.2
74.52299	0.7
75.00745	1.4
78.69469	0.9
83.04888	0.8
85.02831	2.6
87.00759	2.1
88.03923	1.1
88.98677	0.9
89.02304	1.5
93.03333	2.8
94.06490	1.7
96.95903	4.2
101.02324	2.2
104.04954	0.7
105.01817	4.9
105.05716	1.2
106.06499	0.9
107.03640	5.4
108.02077	4.5
109.02851	1.3
113.02322	1.0
120.04462	0.8
120.08083	37.7
122.06008	52.4
123.04421	2.4
123.06303	0.9
130.02907	1.7
132.04480	1.7
133.04938	3.0
134.06004	3.1
136.07574	3.2
148.03976	1.2
150.03149	0.6
150.05542	3.8
152.07082	32.3
152.99474	0.8
158.02357	5.8
160.03954	1.9
164.07118	6.4
171.10182	6.8
174.01718	1.2
176.03430	3.0
190.05029	32.4
191.05408	1.0
197.11794	1.2
201.11276	1.7
209.11810	9.9
210.12172	1.0
226.08719	10.3
226.12325	3.2
227.12886	3.7
235.08394	0.9
239.11812	1.0
240.10370	3.6
240.12381	0.8
241.11078	13.8
242.11404	1.0
243.14857	1.0
245.12935	0.7
249.06537	1.6
249.10498	1.2
250.07365	1.0
251.08253	1.5
255.15024	5.2
256.13382	23.5
257.13565	2.3
263.08127	1.5
264.08914	1.1
265.09790	2.9
266.10605	1.1
277.09802	1.4
278.10364	0.9
279.11487	1.8
287.13995	9.1
288.12180	1.0
293.09341	2.6
295.10922	1.7
296.11661	3.7
297.12418	1.4
300.12405	9.4
305.09116	1.0
323.10400	7.1
324.11008	0.8
325.11826	1.5
339.09619	1.4
340.10571	3.2
353.11465	4.0
355.12982	100.0
356.13403	8.7
397.13495	3.9
398.14505	1.0
415.14252	1.1
423.19302	12.4
442.17572	1.1
552.39410	0.8
611.25055	4.2
612.23993	2.1
640.25745	1.3
641.22662	1.0
643.27563	3.1
644.26196	10.4
645.26385	1.1
673.24780	0.9
707.31000	1.3
747.27686	0.8
779.33014	8.9
780.32941	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	779.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93040	1.6
57.17811	1.5
68.15169	1.8
93.03328	10.3
94.06499	5.4
107.03644	7.1
108.04507	1.9
122.06004	61.6
123.06529	1.9
134.06001	5.7
139.02643	2.6
152.07074	100.0
153.07385	2.8
164.19533	2.0
175.73593	1.9
235.08745	2.5
237.10248	2.3
248.09514	2.1
249.06660	2.0
249.10236	13.7
250.10931	5.7
251.11995	2.2
261.10449	2.3
262.07523	8.7
263.08209	20.1
264.08908	4.0
265.09744	3.5
271.08429	1.8
275.08218	2.7
276.09122	3.8
277.09787	34.7
278.10568	56.3
279.11261	8.9
289.09781	4.4
290.10605	10.0
291.11472	13.8
322.09424	2.2
356.11548	5.4
367.13321	2.0
371.14041	12.9
383.13937	9.6
397.13754	2.2
398.14923	3.7
400.16663	5.9
412.16727	2.7
413.17334	2.6
415.18896	4.8
428.15982	2.4
442.17566	6.2
443.18439	21.4
444.19235	2.7
474.20596	2.1
487.17517	25.2
488.17502	2.8
519.20306	2.4
536.21613	6.0
565.24731	10.4
568.24579	4.9
580.20868	89.6
581.21191	14.8
597.27258	5.9
609.23541	71.0
610.23785	11.9
612.23480	43.2
613.23914	6.6
641.15259	2.8
641.26141	58.5
642.26941	9.7
747.30096	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	779.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	3.0
60.99181	0.8
61.98700	5.3
71.01244	2.6
71.58377	1.0
72.99191	0.8
74.26685	0.9
75.00751	1.6
79.95631	1.4
80.96384	3.0
85.02802	2.4
87.00735	1.3
88.98668	3.4
89.02306	1.7
92.41718	0.8
93.03337	3.4
94.06496	2.3
94.97952	1.4
96.95885	4.4
101.02295	1.1
106.06495	1.6
107.03669	7.0
111.00748	0.9
113.02251	1.1
120.04442	1.2
120.08069	1.5
122.06010	48.1
123.06297	1.3
134.06018	7.9
139.02676	1.3
150.05484	2.6
152.07074	73.3
153.07361	1.3
163.11092	0.9
164.98553	1.3
166.04921	1.0
171.10220	4.5
178.43739	0.8
186.60321	0.9
200.52771	0.8
209.11885	4.0
211.13266	2.7
221.10678	1.3
225.00714	1.5
227.12840	1.7
233.11530	3.8
234.08000	0.9
235.08597	2.4
236.09633	0.8
237.10228	2.4
245.90436	0.8
247.08521	1.1
248.09512	2.3
249.06625	1.8
249.10323	13.7
250.10954	3.6
251.08258	1.0
251.11784	2.9
253.09436	1.5
261.10339	1.6
262.07465	6.8
262.09863	0.9
262.11261	1.2
263.08249	19.1
264.08844	3.0
275.08215	3.7
276.09003	3.3
277.09818	26.2
278.10587	55.5
279.11197	8.4
289.09848	2.7
290.10629	9.1
291.11371	12.0
292.08560	0.9
292.11887	1.9
299.02057	1.0
310.09549	1.2
319.16110	0.9
321.08868	0.8
322.09604	4.7
343.02756	0.9
370.15723	1.7
371.13992	1.4
383.13690	2.2
384.17172	2.2
397.13327	1.7
398.14951	2.9
400.16730	4.6
410.14972	2.5
412.16626	2.7
413.17654	1.9
414.13904	1.5
414.18854	1.5
415.18890	3.5
416.19177	1.2
425.17584	1.3
428.16122	3.3
442.17810	5.8
443.18478	13.6
444.18890	2.8
459.17947	2.0
469.16299	1.4
474.20160	2.4
475.21115	2.0
477.10309	1.5
482.04276	0.8
487.17447	26.0
488.17767	2.6
518.18878	1.4
519.19971	3.0
536.21802	2.4
565.24603	12.7
566.24835	2.4
580.20880	14.2
581.21753	1.8
597.27246	9.5
598.27344	1.4
609.23523	100.0
610.23718	11.9
612.23688	3.2
641.26129	67.7
642.26666	9.1
715.27368	2.6
718.29230	0.9
747.29761	1.2
779.34967	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	779.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01157	1.6
59.54509	0.7
61.98639	0.7
62.30731	0.6
71.01145	1.0
85.02718	0.7
87.00646	0.7
93.03207	2.1
94.06363	3.0
96.95773	1.5
98.19734	1.3
100.00289	0.6
100.32166	0.7
101.02182	0.8
106.06360	1.7
107.03500	6.1
120.07979	1.3
122.05838	42.1
122.06818	3.0
123.06233	1.0
124.07447	0.8
134.05838	5.9
139.02496	1.6
150.05383	1.6
152.07074	68.8
152.08784	2.1
153.07275	1.9
158.94753	0.6
166.04829	0.6
171.09972	1.9
192.91014	0.6
209.11603	1.9
223.08629	0.8
235.08522	2.7
236.09338	1.3
237.10254	3.6
247.08627	1.1
248.09311	2.5
249.06500	1.4
249.10318	13.2
250.11003	3.1
251.07948	0.8
251.11691	3.0
253.09578	2.0
257.12778	1.0
261.10233	1.1
262.07220	5.7
262.10895	1.2
263.08240	18.1
263.10968	0.9
264.08899	3.3
265.09644	1.5
274.41406	0.8
275.08289	5.1
276.08810	2.7
277.06790	1.0
277.09796	27.2
278.10577	54.2
279.11157	9.6
282.09857	1.0
283.13226	1.5
289.09586	1.7
290.10651	8.0
291.11362	13.0
292.11789	1.5
295.10730	0.9
321.08691	1.9
322.09479	5.1
339.09479	1.2
339.20380	0.7
370.15546	1.5
371.13568	2.0
383.13510	1.5
384.17218	1.0
387.19653	0.8
397.13519	1.6
398.14832	2.7
400.16568	4.7
401.16821	1.2
402.17728	1.2
412.16470	2.4
413.17065	2.1
414.14090	2.1
414.18494	1.9
415.19098	3.8
425.17343	1.0
428.16223	3.6
429.16391	1.0
441.16223	1.0
442.17609	7.4
443.18466	19.9
444.18887	4.0
459.17838	1.5
460.18759	0.8
469.15918	0.8
474.20319	2.0
475.21112	1.6
486.16519	1.1
487.17490	25.6
488.17743	2.9
519.20062	2.9
565.24554	10.5
566.24707	1.9
580.20844	12.3
581.21051	1.3
597.27081	7.9
598.27618	1.2
609.23511	87.2
610.23792	10.8
612.23291	4.9
613.23602	0.8
640.25159	0.9
641.26147	100.0
642.26489	13.5
715.27814	0.8
747.30212	1.7
779.35175	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03281	1.1
59.01236	4.1
63.25031	1.0
63.72057	1.2
69.64243	6.6
71.01234	4.1
72.99177	2.9
85.02826	3.0
87.00729	3.7
89.02308	2.5
91.87415	0.9
93.03350	5.4
94.06496	5.3
94.30825	1.0
96.95879	10.8
101.02322	3.0
105.01820	8.4
106.06533	1.6
107.03641	12.4
108.04415	4.3
113.02386	1.5
117.03316	4.0
120.04414	2.7
121.02800	1.2
121.05155	1.7
122.02341	2.2
122.06010	77.3
123.06345	2.5
124.03902	4.7
129.01782	1.1
132.04402	1.4
133.04919	1.5
134.06009	10.0
136.03946	9.4
138.05522	2.8
139.02667	6.8
145.02806	5.1
150.05511	10.2
150.34102	1.2
152.07085	100.0
153.07368	2.7
166.05005	1.8
168.06575	3.9
171.10197	9.2
177.05481	10.6
201.11292	2.1
209.11783	9.5
225.10143	1.1
227.12691	4.8
235.08649	3.1
237.10301	1.5
247.08636	1.8
249.10139	1.1
251.11961	1.2
253.09650	2.8
253.13452	2.1
257.12857	2.1
263.08133	2.8
265.09726	2.2
276.08902	1.1
277.09836	2.8
279.07813	1.7
279.10989	1.6
290.10471	1.2
295.10855	3.6
305.09366	1.6
321.08713	3.2
325.11966	1.2
327.10870	1.2
328.14828	1.1
330.12585	1.8
339.09937	2.9
341.12589	1.5
342.12311	2.4
355.12839	3.2
356.10175	1.6
356.14178	1.5
358.12036	1.7
359.12573	1.6
360.13626	2.2
368.10464	1.4
369.11731	1.3
370.11728	2.9
371.12958	2.1
372.13376	4.2
373.14243	1.4
374.14935	4.6
381.62671	1.2
382.11792	1.7
384.13559	2.6
386.11060	2.6
386.15158	3.4
388.16510	1.7
391.15674	4.1
392.16031	7.5
396.13342	1.8
397.13403	3.7
398.15070	1.4
400.12924	2.2
401.14255	2.1
402.14600	7.2
404.15860	3.8
414.14560	4.7
416.11697	1.6
426.14584	3.5
429.13062	1.3
430.13919	5.1
432.15656	26.3
433.16098	2.9
444.15631	10.1
445.15924	1.9
457.87350	1.2
464.18228	1.7
504.17621	1.6
536.20245	2.6
537.19818	1.3
539.22906	1.6
556.23224	3.0
557.23889	8.9
566.21857	1.6
567.22369	5.2
569.23846	6.1
579.22119	1.6
581.20349	1.3
595.21759	1.6
596.22681	3.2
597.23474	30.5
598.23828	5.2
600.21680	1.8
628.25281	2.3
629.26251	18.4
630.25818	2.6
640.22028	1.6
641.22565	19.1
642.22754	3.3
655.24042	1.4
672.24329	1.4
673.25128	60.5
674.25183	10.3
675.28046	1.6
703.27429	7.1
719.74811	1.3
735.30011	7.1
736.30377	1.7
779.29248	87.6
780.29761	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	778.4696
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43878	0.2
59.01241	0.3
61.98698	0.4
68.05847	0.2
72.36021	0.2
78.95779	0.4
79.95631	0.6
80.96395	0.4
82.98829	0.2
98.19819	0.4
105.02265	0.2
124.17899	0.2
130.01230	0.2
142.11890	0.2
170.00334	0.5
171.10162	0.3
176.95285	0.2
183.01141	10.1
184.01894	1.1
197.02707	14.4
198.03453	2.1
201.11250	0.8
209.11742	0.7
210.12167	0.3
211.04158	0.5
216.00945	0.9
225.76559	0.2
230.02493	2.6
239.07463	0.3
253.09099	0.8
255.23233	1.2
277.21710	1.0
278.22049	0.3
293.79932	0.2
325.18402	100.0
326.18744	8.1
329.88675	0.3
379.21167	0.3
419.20883	0.2
452.27917	0.7
547.91278	0.3
779.39850	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25262	3.1
56.78605	2.6
58.59430	2.7
59.01238	7.1
61.98699	4.7
71.01238	5.4
77.07386	2.4
78.95770	4.9
80.96384	2.6
85.02801	9.3
87.00758	2.9
88.83115	2.7
93.46281	2.5
96.28003	3.0
98.19768	8.9
100.69681	2.8
101.02350	3.7
108.03474	2.6
109.06463	8.8
116.34521	2.4
135.08052	3.6
138.73033	2.9
144.24146	3.0
171.10266	4.2
178.13022	2.8
195.13887	3.1
201.11285	32.2
201.13020	4.7
203.14348	6.1
209.11790	62.3
210.12100	4.2
211.13422	2.7
221.15381	3.7
223.13321	5.3
225.11292	4.4
227.12859	15.3
235.08180	13.3
247.13422	19.2
253.09296	16.1
265.14420	16.8
277.21713	100.0
278.22067	8.4
293.21255	23.2
294.21347	3.9
325.18338	4.0
419.19379	3.5
437.19757	3.8
445.20679	3.1
501.23318	6.3
513.30902	8.9
697.42493	4.1
720.01544	2.9
723.43652	3.4
777.43292	28.9
778.42633	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	777.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.6
58.00459	1.7
59.01248	100.0
60.01596	0.7
61.98693	0.5
69.03310	0.8
71.01250	30.8
72.99190	2.1
73.02818	21.7
76.41898	0.4
78.17448	0.5
83.01255	6.9
85.02824	5.2
87.00755	1.3
89.02312	21.4
95.01269	1.1
97.02863	0.5
99.04418	1.6
101.02319	28.9
102.02628	0.5
113.02325	14.9
119.03384	8.7
125.02345	1.2
129.01913	0.5
131.03386	3.5
143.03392	4.3
144.00427	0.4
149.04436	6.7
155.03427	0.8
161.04457	10.0
161.13231	4.4
179.05527	4.6
203.05595	1.1
205.12273	11.1
205.14030	0.8
207.06104	0.5
209.11613	0.5
216.09026	0.5
221.06607	2.9
249.11279	14.5
249.13675	1.0
250.11716	0.8
251.78825	0.5
261.13461	1.0
303.14572	1.4
306.16895	0.5
385.18793	1.4
429.17612	13.0
429.23026	0.8
430.18231	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	22.3
61.98694	31.9
63.34154	8.1
64.50127	8.6
65.74462	8.6
71.01263	16.0
71.58227	11.6
75.00720	7.7
78.95784	43.0
80.96388	23.6
86.89351	9.0
87.00743	8.1
91.18497	8.2
96.95892	20.0
152.99500	11.9
171.10120	21.1
183.78120	9.4
205.97316	9.3
209.11780	100.0
211.13260	13.0
227.12892	17.8
241.17545	10.3
242.21237	9.5
252.89018	9.5
253.09216	20.2
276.78177	9.5
293.21204	48.1
297.15372	30.1
775.40967	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.1
78.95772	1.0
79.95607	2.8
90.24118	0.1
96.95889	100.0
97.95816	0.4
98.02370	0.7
98.20401	0.3
119.32742	0.1
126.21203	0.1
130.44708	0.1
175.03873	0.1
199.27605	0.1
226.97768	0.1
471.14810	0.1
658.94055	0.1
682.57581	0.1
716.51215	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93470	3.8
57.35278	3.8
59.01242	10.1
61.98700	7.3
71.01260	5.1
71.56853	6.3
72.84190	3.8
78.95776	6.5
80.96390	6.6
87.28049	3.9
96.95924	5.5
98.68195	4.0
109.06478	6.7
118.03173	3.5
163.11267	5.1
163.36058	3.8
171.10181	15.4
181.08565	4.7
199.09741	29.5
201.11339	11.5
207.10220	33.7
225.11276	45.7
253.09174	9.8
277.21698	100.0
278.21997	6.6
353.21741	5.1
411.58817	4.7
435.18750	6.1
443.19250	7.7
461.20181	10.1
493.73489	4.2
513.30798	4.8
521.54163	4.2
695.39709	28.0
721.41699	33.5
722.41461	6.8
775.40308	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	775.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	12.6
61.98700	5.4
66.39481	3.3
71.01249	6.6
71.15343	3.7
78.57155	3.3
78.95779	3.8
87.18445	3.2
109.06489	4.0
110.25008	3.1
113.02268	3.6
163.11183	4.5
171.10170	38.0
184.31290	3.8
199.09656	15.0
200.22517	3.9
201.11215	5.2
207.10191	15.0
225.11266	34.9
235.08136	9.3
253.09224	10.9
273.96548	3.5
277.21719	100.0
278.22040	9.8
407.18909	3.9
443.18845	5.7
461.20078	8.1
465.40536	3.6
594.22595	3.6
695.40186	25.0
696.39880	8.8
721.41888	24.2
722.42499	7.5
775.40137	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	775.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
64.24199	0.2
70.16363	0.3
70.16753	0.3
71.01238	0.1
78.95777	5.9
79.95608	3.0
96.95892	100.0
96.96784	6.2
97.95824	0.4
118.61665	0.1
140.29237	0.1
152.99458	0.4
155.28563	0.1
217.54161	0.2
241.21700	0.6
279.23529	0.2
281.75122	0.2
290.80869	0.1
293.21149	1.8
294.21716	0.7
397.13568	0.2
409.18738	0.2
435.08716	0.2
453.09210	0.4
466.29510	0.2
559.34210	0.1
715.32294	0.3
775.23511	0.1
775.43695	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76549	8.8
59.01232	12.2
64.73441	8.9
71.57133	14.3
78.95776	38.1
82.86123	8.2
86.78091	7.8
93.03328	32.6
96.95883	15.4
107.04910	16.6
119.04919	25.0
121.02845	92.9
134.03644	22.1
135.04422	47.6
143.04878	19.8
147.04427	41.1
152.99524	19.0
163.25346	9.3
165.05536	10.3
211.07587	14.0
223.07582	9.3
225.09131	9.8
235.07750	13.5
247.07561	10.2
253.08524	20.3
279.10233	9.4
283.10104	9.6
329.11420	11.1
339.10532	10.6
353.11432	15.9
371.12610	16.7
383.12869	20.5
413.13849	10.8
431.15192	49.5
447.15875	13.1
459.15918	16.5
461.14929	12.5
471.15820	19.9
473.16888	9.7
483.15665	13.7
485.17953	11.0
489.16986	29.6
501.17035	51.3
513.17078	27.2
519.17865	16.4
531.18243	48.1
532.18799	10.2
543.18420	24.7
549.19147	31.4
559.19147	21.4
561.19318	77.9
565.20416	17.9
566.20184	13.5
571.19159	21.9
573.18976	22.5
577.20239	64.4
579.20209	19.4
589.20190	38.0
595.21075	35.5
596.22357	10.0
607.21307	87.9
608.21307	11.5
619.21240	37.6
625.22314	57.8
637.22485	77.7
638.22253	17.5
655.23395	22.8
667.23199	18.0
685.24164	20.1
697.24396	45.4
698.24121	17.5
709.24445	24.8
715.13977	12.8
715.25287	77.5
716.25732	23.0
727.25336	100.0
728.25549	27.4
739.25049	18.6
745.26770	57.2
757.26318	20.4
775.29034	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	775.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	4.5
70.70250	13.7
78.95779	17.3
93.03342	19.6
93.86537	3.5
96.95890	7.3
106.04155	4.2
107.04940	7.1
116.92810	3.9
119.04930	14.9
121.01962	5.4
121.02843	100.0
122.03240	4.5
130.04128	4.5
131.04903	6.1
134.03664	18.5
135.04424	27.4
143.04893	7.2
147.04414	22.9
152.99518	12.1
159.04520	5.1
160.05214	5.8
165.05629	5.1
173.06079	5.7
176.91487	3.9
209.06046	5.1
211.07613	4.0
223.07620	10.5
231.01863	3.8
235.07674	4.5
237.09239	6.6
247.07837	3.7
253.08777	5.1
263.07053	5.4
265.08673	5.0
304.72968	3.9
339.10394	6.3
365.11780	5.8
371.12936	4.6
383.12915	7.8
399.11636	3.8
401.13962	8.6
413.14148	5.1
429.14383	4.8
441.15042	4.5
447.16412	5.1
471.16159	8.1
483.16330	6.0
489.17221	24.7
501.17181	16.6
503.18539	5.2
513.16876	5.9
519.18213	22.2
531.17883	9.2
532.18787	5.0
549.19312	62.3
550.19360	5.7
559.18878	6.2
561.19287	38.3
562.19708	5.4
565.19983	20.6
577.20282	17.6
579.20398	35.4
580.20477	5.6
589.19879	7.2
591.20386	27.9
595.20929	5.7
607.21112	6.8
609.21051	5.0
625.22253	62.9
626.22229	9.4
637.22235	46.5
638.22870	5.8
655.23273	4.2
697.24695	7.3
715.25513	34.0
716.25922	7.2
727.25562	36.5
728.26111	8.6
745.26495	58.9
746.27386	8.4
757.26001	22.5
758.26630	4.3
775.28589	15.5
776.27899	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	773.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.5
57.03312	1.4
58.00495	0.3
59.01249	6.8
60.70070	0.3
60.80203	0.3
61.98698	0.7
69.03323	1.2
71.01255	4.8
71.04910	0.4
72.99194	0.5
73.02804	1.4
78.95757	0.7
79.95566	0.4
80.02540	1.1
81.03330	1.3
83.01267	1.0
83.04892	4.9
84.02030	0.8
85.02818	6.4
87.00744	1.6
88.93198	0.3
88.98650	0.3
89.02320	3.6
93.03338	0.5
95.01266	0.5
95.04893	1.3
96.95880	3.6
97.02818	1.3
97.06474	1.6
98.20174	1.9
99.00758	0.6
101.02314	3.8
103.25040	0.3
107.79202	0.3
109.06493	0.8
111.00829	0.3
111.04406	0.3
111.08025	0.5
113.02317	2.1
117.11677	0.3
119.03384	1.0
119.08481	0.4
123.08047	0.4
125.02290	0.3
125.05982	0.5
125.09602	1.0
127.07554	0.3
127.11200	1.4
127.73342	0.3
133.04951	0.5
135.08032	0.5
137.09598	1.9
143.03394	0.4
145.04944	0.9
145.52931	0.3
147.11790	0.4
155.10786	0.5
155.14388	0.4
157.05013	0.5
161.04428	2.6
163.07568	0.3
163.11212	4.0
165.12747	2.4
165.45932	0.3
169.12219	0.4
171.10176	17.3
172.10538	0.7
173.00809	0.3
179.05573	1.0
181.12335	0.6
183.13832	2.0
185.11748	1.2
191.01918	0.3
191.10699	0.8
192.14026	0.3
193.12285	0.4
195.13844	0.4
197.11783	0.8
199.13264	1.5
201.11258	1.7
207.10216	0.7
209.11763	100.0
210.12088	5.3
211.13329	9.2
212.13643	0.4
221.11740	1.3
225.11331	0.4
227.12828	14.8
228.13210	0.9
229.14401	7.7
235.08191	8.3
239.12830	0.9
253.09254	19.4
254.09665	0.7
291.19699	3.6
309.20694	8.6
310.20984	0.9
325.20132	0.5
327.21747	59.8
328.22067	4.4
445.20773	1.9
501.73016	0.3
519.33154	0.9
537.33807	0.4
544.51886	0.3
545.29779	1.2
563.30811	2.3
773.42249	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00457	0.9
59.01244	10.4
61.98682	1.2
64.98197	1.0
65.02810	0.8
66.01525	1.0
69.03339	1.1
69.75131	0.8
70.35020	3.4
71.01250	10.2
72.99181	1.0
73.02821	2.3
78.95781	2.9
81.03320	1.2
83.01289	1.2
83.04914	4.5
85.02844	2.3
87.00748	2.1
89.02316	4.1
89.89921	0.9
96.95888	3.5
97.02818	2.3
97.06478	1.0
99.00767	2.2
101.02278	5.4
109.06457	2.0
111.00774	1.1
111.08055	6.3
113.02335	3.3
125.09613	3.2
126.36768	0.9
127.11216	4.6
129.49156	0.9
133.04991	1.1
135.08160	1.0
137.09657	1.4
143.75049	1.2
151.16818	1.0
152.99457	1.4
161.04491	2.9
163.11198	5.1
165.09109	1.8
165.12764	4.3
169.12279	3.4
170.07867	1.2
171.10179	11.1
173.10597	1.1
181.12251	2.7
185.11758	1.6
197.11761	29.9
198.12090	1.9
199.13327	3.7
200.13828	0.9
201.11263	53.3
202.11629	3.1
207.10141	3.7
209.11766	100.0
210.12070	4.9
211.13374	9.5
221.11719	1.1
223.13408	1.1
225.11284	4.9
226.11618	1.5
227.12857	17.2
229.14345	1.0
235.06134	1.2
235.08086	5.8
247.20668	2.0
253.09265	29.0
254.09546	1.1
263.20291	1.4
273.18616	1.5
291.19635	19.7
292.19891	1.5
293.21234	2.1
309.20703	61.3
310.20987	7.5
311.21915	1.9
313.03668	1.8
327.21774	8.0
437.19888	1.3
445.20590	2.5
455.95572	1.1
493.31827	1.4
545.29449	2.5
625.27924	1.0
773.42688	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78853	8.0
59.01243	17.6
60.93380	9.8
61.98697	31.9
71.01253	15.5
71.17947	14.2
75.00764	15.8
78.95776	80.2
82.84959	8.6
85.02819	14.3
88.98669	24.4
89.02302	12.5
96.95880	33.9
117.33829	9.3
124.68353	8.2
141.01726	9.3
152.99503	20.8
169.12218	42.2
171.10156	33.9
181.12283	17.1
207.10219	35.3
209.11778	30.9
225.11263	61.2
235.08092	15.4
243.38869	8.8
253.09239	11.7
293.21259	65.6
294.21909	10.8
295.22784	25.7
309.20767	11.4
327.21680	17.7
348.36777	10.0
365.31180	12.3
404.90137	10.6
405.21411	12.4
461.20172	46.1
737.41351	43.8
773.39490	100.0
774.39819	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	2.0
59.01247	13.5
61.98696	1.5
68.72861	1.1
68.99683	0.8
71.01252	98.8
71.37292	1.6
72.01587	0.9
72.99162	1.8
73.02802	1.9
75.00750	1.6
78.95776	37.2
81.03311	1.1
83.01270	1.2
83.04881	1.8
85.02816	4.0
87.00743	3.1
89.02301	3.1
95.04927	0.9
96.96806	2.0
97.02798	2.4
97.06444	1.2
99.00746	2.2
101.02311	4.3
107.88796	0.8
109.06465	4.0
111.00750	1.1
112.51644	1.1
113.02328	3.5
113.09552	1.0
125.09607	3.5
127.11178	2.9
134.98441	1.3
135.08087	1.1
137.09634	1.6
152.98337	1.1
152.99509	15.8
155.10728	2.1
161.04440	2.3
163.11191	3.0
165.09045	1.6
165.12706	1.3
169.12260	1.4
170.62782	1.2
171.10184	100.0
172.10541	3.4
179.14250	0.9
181.08601	1.5
181.12260	3.1
183.13815	2.8
185.11742	3.7
195.13835	3.3
197.11775	7.5
198.12144	1.5
199.09712	9.6
199.13327	3.1
201.11276	14.8
207.10208	13.5
209.11809	12.4
210.12030	1.2
211.13367	5.8
215.12805	2.3
217.14342	1.4
222.58682	1.0
223.13361	4.5
225.11250	13.3
226.11641	1.2
227.12759	3.9
229.14432	1.5
235.08200	4.9
237.44693	1.0
243.12312	2.0
253.09250	15.2
275.20102	5.4
290.18207	1.2
291.19611	2.8
293.17987	2.2
293.21246	45.8
294.21497	3.4
309.20700	3.8
311.22223	2.1
327.21814	8.5
435.18750	1.4
445.19708	2.5
461.20078	4.3
463.20935	4.6
737.41071	3.2
755.42188	2.3
773.42609	35.8
774.44012	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	773.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.4
61.98696	0.9
66.43093	0.1
71.01246	1.0
75.00749	0.2
78.95767	1.9
79.17027	0.1
79.95606	3.1
80.96367	0.2
89.02328	0.2
90.71358	0.1
94.97986	0.2
96.95889	100.0
97.95824	0.4
98.19731	0.3
111.08025	0.1
113.02255	0.2
118.72684	0.1
118.96535	0.3
152.99474	0.5
169.12288	0.2
171.10155	0.9
185.87506	0.1
201.11209	0.2
207.10182	0.3
209.11784	1.2
210.12097	0.2
211.13368	0.2
225.11328	0.3
227.12819	0.4
253.09286	0.4
277.21738	0.3
293.21185	0.5
309.20703	0.3
327.21768	0.3
397.13766	0.3
407.17453	0.3
435.08099	0.4
453.09235	0.6
479.14609	0.1
537.26465	0.2
713.30383	0.7
773.43268	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67015	0.2
55.74198	0.2
59.01250	0.3
61.96291	0.2
61.98703	0.3
64.67400	0.3
71.01232	0.5
78.95780	6.9
79.95618	2.8
88.19246	0.2
89.42661	0.2
96.95895	100.0
96.96792	6.3
97.95786	0.2
105.25799	0.2
109.46226	0.2
118.96559	0.4
152.99455	1.0
171.10168	0.3
177.24820	0.2
194.93721	0.3
238.76376	0.2
250.96350	0.3
277.21701	0.7
333.05057	0.2
361.04941	0.2
395.73584	0.2
397.13562	0.6
407.17407	0.3
435.08081	1.0
453.09262	1.4
461.19318	0.2
463.21143	0.3
465.92017	0.2
593.27179	0.4
631.21521	0.3
713.30847	1.4
714.31042	0.4
773.42456	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.6
61.20514	0.1
61.98708	0.5
66.65371	0.1
71.01251	2.0
71.57900	0.2
78.95773	2.6
79.95605	3.0
85.02818	0.2
87.44868	0.1
89.02317	0.2
90.97020	0.2
96.95886	100.0
97.95813	0.3
98.02310	0.1
98.95463	0.2
99.00742	0.2
101.02329	0.3
113.02305	0.1
118.96522	0.3
119.03389	0.1
125.09608	0.2
130.81119	0.1
152.99496	0.4
169.12358	0.1
171.10185	2.2
181.12372	0.1
197.02768	0.1
197.11787	0.3
199.09772	0.3
199.13165	0.2
201.11261	0.7
207.10204	0.6
209.11839	0.8
211.13385	0.2
225.11247	0.4
227.12898	0.1
235.08186	0.3
253.09232	0.7
277.21698	0.4
291.03961	0.1
291.19699	0.3
293.21198	1.2
297.15320	0.8
298.15714	0.3
299.65045	0.1
309.20508	0.2
314.08063	0.1
327.21674	0.4
335.03006	0.2
346.79147	0.1
361.04871	0.2
397.13583	0.3
407.18011	0.3
428.84634	0.1
435.08298	0.6
453.09332	0.8
474.26221	0.8
475.26678	0.8
487.42685	0.1
593.27124	0.2
713.30780	1.0
714.31677	0.3
737.41174	0.2
773.42883	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02840	7.4
68.78740	3.5
68.84656	3.9
71.47472	3.8
71.56583	5.0
74.02347	19.7
78.95769	26.8
86.02354	9.0
99.05510	13.4
125.03492	4.6
127.05035	5.4
128.03404	41.4
128.05067	3.3
143.04553	40.4
152.99461	10.2
160.00656	11.0
167.04492	3.9
179.04561	9.8
209.11772	35.2
210.08768	14.5
240.33890	4.0
254.07776	8.0
272.08905	9.3
288.06635	6.5
306.07681	100.0
307.07828	5.4
421.55090	4.5
452.20496	38.5
453.20563	5.0
565.92407	4.4
641.60437	4.7
714.22827	15.3
773.30347	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
59.71826	4.3
61.31282	5.4
69.45279	28.2
69.45686	9.1
74.02347	17.9
78.95792	18.7
80.75365	4.1
90.24055	4.5
99.05527	9.7
109.78211	5.2
113.89713	4.3
125.03497	7.8
127.04994	11.3
128.03448	50.1
135.05583	4.8
143.04526	41.7
146.04492	5.8
152.99481	14.9
153.06529	4.4
160.00685	16.1
179.04579	7.4
198.16653	4.6
209.11836	38.4
210.08788	10.5
231.75294	4.6
254.07846	7.8
272.09085	10.1
306.07660	100.0
381.12979	5.7
452.20508	35.3
714.23419	15.3
773.30664	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	1.7
59.01255	11.6
61.98692	3.0
65.00186	6.1
66.21219	1.0
66.36830	1.0
69.03326	1.0
71.01250	6.1
71.37697	1.8
71.38041	1.0
73.02806	3.1
81.65059	1.0
83.01257	2.1
83.04882	2.8
85.02834	5.3
87.00746	2.2
89.00190	1.6
89.02303	3.4
91.01781	1.8
93.03303	1.9
95.01247	3.5
96.95876	8.8
97.02814	4.8
97.06454	1.7
101.02300	3.9
103.03984	1.2
107.01255	2.4
113.02306	2.3
116.92680	1.0
121.02853	2.5
124.01517	3.0
130.04201	1.3
133.04997	1.2
138.03116	3.5
139.03905	3.1
143.03424	1.3
145.02759	1.2
146.03563	1.5
149.99469	1.9
151.00284	5.6
160.05215	2.3
161.04526	1.8
163.11133	3.1
165.01837	49.6
165.12720	3.1
166.02660	9.0
167.03412	1.9
169.01321	2.9
171.10179	9.3
172.05167	2.0
173.05995	8.3
174.03120	2.7
178.99773	20.3
183.02901	17.4
183.13818	1.8
183.27370	1.1
185.11754	1.5
187.03851	2.0
188.04755	1.9
190.02643	2.5
193.01302	5.0
197.05966	1.4
197.11758	2.5
199.13306	3.1
201.05457	4.5
202.06001	1.6
209.11766	49.5
209.13757	2.4
210.12091	3.1
211.13332	8.1
225.11264	3.2
226.11652	2.0
227.12845	10.1
229.14368	5.8
231.46632	1.2
235.08127	4.7
235.33414	1.1
253.09290	11.7
257.15329	2.4
261.05505	2.0
262.06131	1.5
263.06934	1.7
267.13950	2.8
274.06500	1.2
275.07315	2.6
279.13873	1.5
285.14966	14.4
286.15378	1.4
290.05814	3.7
291.06693	1.5
291.19595	3.9
295.13263	2.5
299.02060	1.6
301.14331	2.0
303.06870	1.8
303.16000	2.1
307.02399	1.9
308.03067	1.1
309.20786	7.5
313.14371	7.4
314.04251	1.4
318.05356	4.1
327.21735	30.1
330.14685	1.7
331.06113	3.1
331.15454	26.0
332.15765	2.1
335.02023	6.0
337.15005	1.2
341.13898	26.5
342.14246	1.7
346.04895	3.2
347.05063	1.2
359.05618	2.4
367.11722	7.9
373.07236	1.4
373.16180	1.9
381.13522	1.4
402.14456	2.0
418.14035	1.9
446.13385	2.6
447.14056	1.7
461.15921	2.8
474.13269	7.0
489.15518	100.0
490.15948	12.3
497.18243	1.8
506.15833	25.6
507.16571	26.2
508.16833	1.4
535.21130	1.3
563.21771	8.5
589.19427	2.9
729.24023	3.5
730.24133	1.8
773.42792	1.9
773.57489	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	773.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	1.0
59.01248	9.4
61.98710	4.5
63.39190	0.8
65.00189	6.0
69.03320	1.4
71.01252	5.1
71.50262	0.9
71.57497	1.2
73.02823	2.7
78.95757	1.1
79.95617	1.2
80.02541	1.0
80.96410	1.5
81.44868	0.8
83.01275	1.4
83.04865	1.3
85.02833	3.6
87.00735	1.1
89.00211	2.2
89.02335	1.2
91.01802	1.0
95.01253	2.2
96.95893	14.0
97.02831	4.9
97.64974	0.8
98.18259	0.8
98.95459	1.6
99.00763	1.3
101.02330	4.0
105.99280	0.8
106.00113	0.9
107.01266	2.1
108.01987	1.1
109.02834	1.8
109.06478	2.1
111.00781	1.4
113.02342	2.2
121.02879	2.9
124.01566	3.0
130.04150	1.3
133.04971	1.0
137.02307	1.1
138.03139	2.6
139.03868	2.4
145.06293	0.9
146.03645	1.1
149.99519	1.8
151.00270	6.8
151.07567	0.9
159.04433	2.0
160.05162	2.0
161.02394	1.4
161.04430	1.1
163.11185	1.5
165.01845	42.5
165.12834	1.4
166.02631	7.4
167.03374	1.9
169.01407	1.8
171.10162	6.2
172.05197	2.0
173.02419	0.9
173.05949	6.3
174.03152	3.0
178.99786	19.0
179.03481	1.1
183.02924	20.9
183.10162	0.9
185.06053	1.2
187.03978	1.7
187.07518	0.9
188.04666	1.4
190.02614	1.3
191.44240	0.9
193.01389	5.2
197.05972	1.9
197.11758	1.0
199.13358	2.0
201.05502	6.1
201.11307	2.6
207.10118	1.1
209.11772	34.4
210.12117	2.3
211.03911	0.8
211.07658	0.9
211.13304	3.1
212.04832	0.9
225.05542	1.2
225.11151	1.3
227.12840	13.0
229.14340	1.7
235.08185	2.7
236.05115	0.9
241.15807	1.2
249.05316	1.2
253.09296	7.7
257.15439	1.8
262.06223	1.6
265.17892	1.6
267.13980	1.4
269.15515	1.2
275.06989	2.0
279.13983	1.5
283.13544	1.1
283.19119	2.0
285.14963	13.2
286.15506	2.3
288.07645	1.0
289.05194	1.2
290.05795	2.9
291.06531	1.6
291.19684	1.2
295.13370	2.5
299.01917	1.7
301.14603	1.6
303.06653	1.8
303.16119	2.1
307.02509	1.7
309.20740	3.4
313.03537	1.2
313.14584	5.6
314.04031	1.7
318.05289	4.2
321.04187	1.9
322.04535	1.2
323.12643	1.4
325.03796	1.1
327.21753	17.2
328.22192	1.0
329.14270	2.1
330.14630	3.0
331.06259	2.0
331.15512	26.2
335.01917	6.6
335.05618	1.4
339.05151	1.1
341.13922	25.5
342.14212	2.5
346.04749	1.7
350.04193	1.2
359.05566	2.0
367.11771	7.4
373.16656	1.3
381.13290	1.1
418.14111	2.2
445.20740	1.3
446.13684	2.0
461.15994	3.9
471.14407	1.0
474.13129	6.5
475.13461	1.8
489.15543	100.0
490.15955	13.0
497.18457	1.5
506.15808	25.0
507.16534	23.8
508.16855	2.0
537.34662	1.2
563.21515	7.1
564.21313	1.0
589.19171	3.0
729.23895	3.4
773.38959	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	771.427
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.4
61.98703	1.2
62.67614	0.2
71.00878	0.3
71.01254	1.1
75.49062	0.2
78.95762	1.7
79.95605	0.5
89.68125	0.2
91.93290	0.3
123.27514	0.2
152.99467	0.5
171.10234	0.5
183.01117	5.4
184.01872	0.6
197.02696	22.2
197.11731	0.5
198.03441	3.0
201.11240	0.4
207.10207	0.3
211.04321	1.0
216.00856	0.3
225.05844	0.3
225.11420	0.4
230.02492	2.7
253.09032	0.6
277.21710	0.7
291.19745	0.4
293.21265	0.4
309.20700	0.4
313.03510	0.4
314.04236	0.5
325.18405	100.0
326.18741	7.3
369.45932	0.3
476.09647	0.3
613.12793	0.3
771.40851	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.6
61.98695	0.4
64.63289	0.3
71.01251	1.2
71.56882	0.2
71.57275	0.5
75.09039	0.3
78.95768	1.9
79.95625	0.7
80.96375	0.4
82.54636	0.2
88.98681	0.2
90.84002	0.2
91.67224	0.3
96.95882	0.4
99.04386	0.3
115.15948	0.3
122.64113	0.3
127.82797	0.3
152.99504	1.1
171.10176	1.0
183.01158	2.9
197.02713	23.3
197.11746	0.3
198.03410	2.6
207.10188	0.7
211.04272	0.9
216.00955	0.4
225.11203	0.4
230.02501	3.0
231.02730	0.4
239.07481	0.3
251.75908	0.3
253.09099	0.5
254.54173	0.3
267.10675	0.4
277.21793	0.8
291.19763	0.6
293.21237	0.8
309.20807	0.6
325.18417	100.0
326.18738	9.5
327.21683	0.4
341.10242	0.3
341.64703	0.3
452.14685	0.3
528.50818	0.4
639.53601	0.3
771.43115	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	771.366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.9
55.65593	0.6
57.03310	0.9
59.01254	100.0
60.01587	0.8
67.81708	0.4
71.01251	9.0
71.07336	1.3
73.02824	3.7
75.00774	0.6
78.95785	0.8
83.01263	2.0
85.02834	4.1
87.00777	0.9
89.02344	1.3
95.01307	0.6
96.95906	0.6
99.00788	1.7
101.02328	8.9
106.45994	0.5
113.02340	3.9
131.03352	0.6
152.99446	0.7
159.02896	0.6
161.04468	2.8
263.14993	14.3
289.16690	0.9
305.16000	3.8
336.74530	0.6
421.20731	3.3
426.02225	0.5
549.95551	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	31.1
61.98698	14.5
71.01245	100.0
78.95782	35.2
87.00768	28.7
101.02342	16.7
115.09354	10.9
125.09571	14.1
133.50244	11.2
149.20692	12.0
150.74002	11.9
152.99498	22.8
171.10202	49.0
182.35031	11.0
197.11815	34.7
201.11296	32.0
207.10210	33.2
209.11841	23.4
211.13426	28.8
223.13359	40.2
225.11339	32.4
246.59996	12.2
253.09236	25.4
277.21652	32.8
293.21320	48.6
309.20663	39.7
311.21970	17.6
325.18484	14.7
365.18039	14.0
396.51984	12.5
399.29099	12.4
459.22028	12.8
646.66528	13.5
771.41766	80.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.9
57.03323	0.9
58.00458	0.4
59.01252	100.0
60.01586	0.7
66.24692	0.3
66.35592	0.3
69.22391	1.5
69.22817	1.9
71.01255	8.3
72.99154	0.4
73.02827	3.1
78.95791	0.7
83.01243	2.0
85.02814	4.4
89.02311	1.3
95.01254	0.5
96.95860	0.5
98.20535	0.8
99.00774	1.2
101.02318	8.3
102.59575	0.3
111.00790	0.5
113.02345	3.4
139.53133	0.4
141.10229	0.4
152.99510	0.7
159.02939	0.7
161.04468	2.6
162.77266	0.3
253.77948	0.4
259.00467	0.4
263.14981	14.6
264.15369	1.0
270.06421	0.3
285.94598	0.3
289.16663	0.4
305.16058	3.7
349.18787	1.2
421.20706	3.3
549.04895	0.4
771.31842	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.9
55.65593	0.6
57.03310	0.9
59.01254	100.0
60.01587	0.8
67.81708	0.4
71.01251	9.0
71.07336	1.3
73.02824	3.7
75.00774	0.6
78.95785	0.8
83.01263	2.0
85.02834	4.1
87.00777	0.9
89.02344	1.3
95.01307	0.6
96.95906	0.6
99.00788	1.7
101.02328	8.9
106.45994	0.5
113.02340	3.9
131.03352	0.6
152.99446	0.7
159.02896	0.6
161.04468	2.8
263.14993	14.3
289.16690	0.9
305.16000	3.8
336.74530	0.6
421.20731	3.3
426.02225	0.5
549.95551	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	9.8
60.99187	13.9
61.98714	3.4
70.68417	2.6
71.01237	7.4
72.99178	50.8
75.00738	6.1
81.03329	15.3
83.04899	37.7
85.02832	5.4
88.98677	100.0
89.02315	13.3
89.98993	7.9
90.99123	5.4
93.03366	3.9
93.29254	2.7
98.19817	5.8
100.06857	2.8
101.02336	2.6
115.03881	2.9
129.01813	2.6
131.16359	2.6
144.07661	4.2
156.67493	3.6
161.02350	2.8
163.00340	4.6
193.61873	2.8
209.02892	3.0
224.17639	6.4
225.16063	18.0
242.18625	3.2
255.02960	3.3
280.40671	2.7
313.03534	4.8
333.22800	3.3
346.44897	3.3
352.04633	3.4
405.06323	3.6
430.95453	3.4
444.07086	4.4
450.34311	3.9
451.33026	9.1
495.95499	3.2
559.39612	4.9
595.41742	6.6
643.10895	3.8
645.10815	3.4
673.46594	20.1
674.46503	6.1
675.47968	42.8
676.48413	22.8
677.49701	76.6
678.50079	11.7
679.49109	4.4
691.47284	23.8
692.48035	13.0
696.90997	3.6
709.48596	5.0
770.21149	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	769.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.3
55.37748	0.5
57.03318	3.2
58.00476	0.7
59.01247	11.4
61.35899	0.5
61.98735	0.5
64.05988	0.5
69.03317	3.9
71.01248	10.1
71.04885	1.1
71.20749	0.9
72.99159	0.8
73.02818	1.6
78.95811	0.6
80.02544	0.7
81.03318	1.0
83.01261	1.3
83.04888	1.7
85.02814	9.1
85.06409	0.6
87.00755	2.8
89.02318	4.9
93.03320	1.2
95.01270	1.3
95.04904	1.3
96.95906	0.7
97.02841	2.9
97.06425	3.2
99.00760	0.8
101.02320	7.9
109.06463	1.2
111.04408	0.7
111.08054	1.4
112.32020	0.7
113.02357	4.0
119.03405	1.8
123.07997	0.9
123.37620	0.6
125.09644	2.7
127.11223	1.3
133.04965	0.8
137.09630	2.9
145.04945	1.7
147.62735	0.6
149.09607	1.1
151.11192	0.9
153.09099	0.6
155.10736	0.7
161.04483	4.5
163.11177	1.7
165.12720	1.4
167.10683	3.7
169.12170	0.7
171.10172	33.3
172.10526	1.1
177.12666	1.0
179.05444	1.2
179.10675	2.4
179.14337	4.1
179.55200	0.6
181.12254	1.1
183.13797	2.1
185.11755	2.4
191.14346	0.8
193.12404	0.7
195.10173	1.9
195.13847	10.5
197.11774	7.0
199.13348	0.8
201.11281	3.7
205.08725	0.9
205.12257	9.0
207.10109	2.9
208.74316	0.6
209.11751	5.5
210.12070	0.7
211.13319	13.2
212.13660	0.9
221.11789	2.3
223.13336	100.0
224.13686	5.7
225.11252	4.7
227.12851	1.2
229.14375	8.5
235.08182	17.0
239.12878	1.6
241.10669	1.5
243.12392	0.8
245.19099	1.2
253.09244	26.4
254.09497	1.2
287.16339	0.8
289.18042	5.1
291.19650	6.0
293.21234	2.6
298.14380	0.7
307.19128	4.5
309.20697	14.0
310.21213	1.1
327.21741	79.6
328.22046	6.9
459.22366	15.8
460.22742	2.1
533.34717	1.9
545.29749	2.9
563.30469	4.5
597.87238	0.6
751.39264	1.6
769.40417	11.0
770.40204	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	769.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	0.6
57.03325	0.9
58.00465	0.7
59.01251	7.6
61.98704	0.8
66.19033	0.6
69.03333	5.1
71.01247	8.8
71.04888	2.0
71.44920	0.7
72.99184	0.6
73.02808	1.7
78.95784	0.7
81.03333	0.8
83.04897	1.5
85.02827	2.3
87.00731	1.4
89.02306	3.3
95.01262	0.8
95.04900	0.5
96.95898	1.5
97.02821	2.4
97.06474	1.9
99.00785	0.9
101.02315	4.7
109.06497	1.1
111.04394	0.6
111.08044	3.1
113.02330	2.3
119.03355	0.6
123.08031	1.3
125.09600	2.6
133.68130	0.6
137.09641	0.8
139.89456	0.5
143.03421	0.6
151.11218	2.8
153.12807	3.0
161.04440	1.4
161.09630	4.1
163.11153	1.4
165.12737	0.7
166.85970	0.6
169.12262	2.0
171.10176	8.4
179.10675	6.9
181.12292	1.0
183.13797	0.8
185.11693	1.3
195.10335	0.7
197.11758	94.8
198.12119	3.9
199.13286	1.2
201.11247	2.5
207.10130	3.0
209.11783	3.1
211.13367	2.7
223.09761	2.8
223.13284	2.1
225.11234	5.9
227.12871	0.8
235.08182	1.7
241.10776	3.7
243.12561	0.5
245.19254	0.8
253.09294	4.6
263.19922	0.7
289.18088	2.9
291.19653	3.8
293.21320	1.3
307.18970	3.4
309.20712	4.7
327.21750	1.2
334.36404	0.6
440.23456	0.6
459.18454	1.2
477.19635	2.2
751.39313	1.3
769.40112	100.0
770.40472	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	769.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.8
57.03287	0.8
58.00470	2.0
59.01249	40.0
65.00189	0.9
68.68845	0.8
69.96795	4.8
71.01254	28.5
71.04903	0.9
72.99179	3.5
73.02816	1.8
78.95801	1.0
83.01247	1.8
85.02820	7.8
87.00756	2.5
89.02314	20.3
91.01759	2.2
93.03346	2.6
96.95888	1.7
98.20490	0.9
100.90904	1.1
101.02321	13.3
111.00765	1.1
113.02340	7.8
115.03908	3.0
119.01281	5.5
119.03362	8.4
121.02814	1.5
123.04397	2.8
133.04999	1.7
139.03868	1.0
143.03423	1.3
147.00783	3.3
147.04448	1.0
149.02342	9.7
164.04675	6.6
165.01799	1.8
171.04340	1.1
174.98753	2.0
175.00282	39.7
176.00792	1.7
177.01784	1.0
179.05508	2.3
179.07021	1.2
185.87592	1.0
189.01791	2.0
190.02643	98.2
191.03226	6.6
205.04999	100.0
206.05405	5.6
208.03714	1.1
219.06606	1.1
223.06073	11.9
237.96796	0.9
247.06105	2.5
249.11230	8.5
257.04651	1.3
262.08423	3.0
277.10861	39.7
278.11218	2.1
287.01871	0.9
288.06406	2.2
295.07047	1.7
295.10352	34.1
296.10599	1.5
303.08783	2.3
321.09653	7.2
322.10025	1.0
326.99652	2.7
327.99908	1.6
328.99347	2.0
357.79913	0.9
403.74716	1.0
421.03717	3.1
422.04156	1.3
423.03839	1.3
483.14819	4.5
501.16129	59.0
502.16406	6.1
589.19305	20.8
590.19525	3.6
643.11163	4.0
644.11749	1.2
645.11700	8.5
646.11993	1.8
769.25647	24.8
770.26508	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	769.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	3.3
57.03318	5.3
59.01249	100.0
61.48503	1.2
65.03843	3.0
67.01754	8.7
67.45982	1.5
68.99693	1.3
69.03326	7.7
69.50398	8.4
71.01250	20.3
72.99173	4.8
73.02818	5.3
81.03324	11.3
83.01253	11.9
83.04871	6.5
85.02820	73.2
87.00757	12.2
89.02332	5.0
93.03321	13.2
95.01258	52.2
96.95915	1.5
97.02821	9.0
98.19818	2.5
99.00748	6.0
99.04432	7.2
101.02328	4.7
103.03900	4.9
107.04905	1.9
108.02080	2.6
109.02828	22.7
111.00760	56.7
111.04424	3.5
113.02319	24.0
115.00297	1.6
119.03381	1.2
121.02864	3.0
123.04430	3.2
125.02347	5.5
127.03893	29.8
135.04407	1.3
137.02341	8.9
139.00262	60.9
139.03905	2.5
141.05476	3.0
145.04977	13.9
149.02336	2.5
151.03880	2.7
153.01816	3.1
155.03412	15.7
157.01331	5.2
163.06033	3.6
167.03453	2.9
169.04996	4.9
169.55434	1.4
171.02881	5.8
179.03473	1.8
181.01294	2.9
181.04999	1.4
193.01309	1.4
199.02403	52.2
200.02715	1.7
213.04063	1.6
241.03510	2.6
241.07072	2.8
257.06494	1.7
259.08160	2.9
271.35510	1.3
285.06134	7.7
301.05670	2.5
303.07248	7.3
306.07565	2.5
343.57721	1.1
345.08240	19.5
363.09171	1.7
387.09317	22.7
405.10406	16.6
423.11594	2.4
465.12595	2.6
569.17389	3.8
579.15381	2.6
597.16815	2.4
665.18958	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	767.4918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.9
60.99181	15.8
66.40870	0.3
71.01257	0.4
71.57315	0.5
72.99185	1.5
75.00738	0.3
78.95786	0.6
79.93812	0.2
81.03325	0.4
83.04901	0.9
83.56969	0.2
87.00754	3.1
88.00281	6.8
88.01093	0.5
88.98682	100.0
89.02319	7.9
89.02739	0.2
89.99026	0.8
90.01832	1.0
96.95921	0.3
108.16039	0.2
115.79395	0.2
128.03383	0.3
152.99551	0.3
224.17732	0.4
225.16109	0.5
229.14540	0.3
336.74261	0.3
350.31119	0.3
451.32910	0.5
460.31464	0.3
490.42474	0.3
673.46716	0.4
675.48181	1.2
677.49463	1.8
678.50671	0.4
691.48389	0.9
707.49078	0.8
708.47852	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.8
59.01250	11.6
60.99180	2.8
61.98697	3.7
66.67585	1.0
66.67960	0.9
69.03320	1.1
69.35563	3.2
69.35991	5.4
71.01257	7.3
72.99183	12.0
73.02814	1.9
78.95734	1.4
83.01275	1.5
85.02809	3.1
87.00751	2.3
88.98685	12.8
89.02338	7.6
90.99087	2.1
95.04903	0.9
96.95869	2.3
97.02828	1.6
97.06453	2.4
98.19795	2.1
101.02319	6.9
109.06464	1.2
111.00800	1.0
111.08057	5.3
113.02324	3.2
113.83131	1.0
119.03360	1.1
121.10098	1.2
125.09566	1.5
142.02753	1.1
145.04913	0.9
159.11707	2.6
161.04524	1.6
169.12213	3.0
171.10202	3.0
177.12762	15.6
195.13838	97.9
196.14163	3.6
197.11768	23.9
198.12080	1.1
199.13335	1.1
207.10284	1.5
209.11758	2.1
211.13310	2.8
221.11765	5.3
223.13365	3.6
225.11310	1.1
227.12877	1.5
235.08186	3.1
239.12851	8.2
247.20869	1.5
248.23878	1.1
253.09358	6.0
291.19702	7.6
293.21121	2.2
309.20700	17.4
311.16858	1.4
325.20160	1.7
327.21744	1.2
457.20673	3.0
475.21680	6.5
754.12317	1.1
767.42163	100.0
768.42651	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	767.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	3.8
59.01243	10.6
61.98677	1.5
69.03324	6.1
70.49046	2.1
70.49407	3.6
71.01244	11.3
71.04885	3.2
73.02833	2.6
73.84913	1.0
78.95752	1.5
81.03326	2.0
83.01244	3.2
83.04899	2.7
85.02810	4.3
87.00737	1.2
87.04368	1.0
89.02301	4.4
95.01218	1.1
95.04901	2.7
96.95852	2.3
97.02811	2.2
97.06438	3.5
97.15955	1.1
98.20045	2.2
99.00761	1.4
101.02321	7.7
109.06425	1.9
111.08038	1.2
113.02282	3.1
119.03332	1.6
123.04355	1.6
123.08016	3.7
125.09612	10.2
133.86102	1.3
137.09615	3.1
142.02728	1.2
151.11205	3.3
153.12724	1.9
161.04425	2.4
161.09625	3.8
163.11180	4.0
167.10632	1.3
171.10191	6.2
179.10663	11.0
181.12102	1.9
185.11726	6.5
189.12854	1.3
191.14357	4.2
195.10191	1.8
195.13811	4.0
197.11760	68.0
198.12094	4.2
205.12277	3.0
207.10181	3.4
209.11749	13.4
211.13284	3.4
213.11281	1.4
221.11792	6.4
223.09666	3.9
223.13330	9.8
225.11241	4.8
227.12582	1.2
235.08136	1.8
239.12794	5.8
241.10794	2.9
245.18999	5.1
246.19415	1.6
253.09256	6.6
263.20132	1.5
269.32513	1.1
289.18130	9.7
290.18393	1.5
291.19574	4.1
293.21201	5.0
307.19153	7.4
309.20688	6.0
325.20050	6.5
392.08777	1.1
459.18207	2.0
475.21671	1.7
477.19489	3.3
669.31085	7.0
767.38568	100.0
768.38812	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	767.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	0.9
60.99179	18.5
64.71062	0.4
67.96178	0.4
78.95786	1.4
87.00758	3.8
88.00283	4.5
88.98682	100.0
89.02320	16.1
89.03246	0.4
89.99028	1.0
98.20564	1.1
111.91102	0.4
152.99467	1.3
191.70972	0.4
397.13443	1.0
405.14966	0.4
436.15805	0.5
496.86057	0.5
516.09784	0.4
539.46252	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	3.8
59.01254	23.8
59.18068	2.7
61.98708	35.5
63.17989	2.2
69.25041	21.6
71.01253	27.2
72.99179	6.3
73.02810	4.4
73.95509	2.1
75.00745	16.9
78.95767	3.0
78.98508	2.5
79.95599	4.9
80.96405	13.2
83.01244	4.0
85.02826	12.3
85.14994	2.4
87.00761	5.7
89.02330	14.2
92.78207	2.4
93.03313	2.9
94.02853	4.9
94.97943	4.6
96.95891	13.6
97.02820	5.2
98.19735	4.2
101.02332	15.9
101.71265	2.2
104.67586	2.5
111.00817	3.9
111.08054	12.4
113.02319	7.8
116.92749	3.4
119.03353	5.3
119.07100	2.4
120.01115	7.9
120.08079	4.1
125.02386	4.0
125.23824	2.2
133.04942	18.3
136.07574	13.7
152.07095	2.8
152.79645	2.3
164.98465	3.7
169.12244	6.3
171.10193	5.5
175.02049	2.5
179.05499	3.1
181.12383	2.9
191.01920	2.5
197.11754	42.4
198.12038	2.5
201.11227	2.9
209.11749	6.5
211.13356	6.8
218.29942	2.3
225.00722	5.7
226.12233	3.7
227.12920	2.9
242.48688	2.1
253.09352	2.8
279.11389	4.0
291.19702	13.3
309.20706	100.0
310.21085	12.6
339.13443	4.8
372.03546	2.5
397.13397	26.3
415.14517	37.0
416.14941	4.4
629.26105	5.4
640.69794	2.9
647.29132	2.9
661.28815	2.9
707.34692	5.5
723.38110	8.0
724.37866	2.8
767.32635	8.7
768.31689	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	767.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.7
61.98682	0.7
63.10699	0.3
65.56404	0.3
69.54054	2.6
77.52613	0.3
80.04908	0.6
82.02853	2.2
93.02750	0.8
93.03335	12.4
94.02859	22.5
94.06488	0.7
95.03667	0.5
96.04423	9.0
96.95888	1.0
104.04923	0.7
105.05712	1.2
106.06506	1.6
108.04424	1.5
108.08068	1.4
110.06010	1.2
120.08078	47.3
121.05199	1.9
121.08416	1.9
122.05973	1.3
130.02867	1.1
131.03664	0.7
132.04465	2.8
134.06015	5.0
134.09691	0.8
136.03983	1.9
136.07578	45.7
137.04721	0.8
137.07916	1.0
138.04460	0.7
138.05505	13.1
147.03186	1.0
148.03954	1.4
150.05515	1.5
152.07097	4.3
153.04172	1.0
158.02393	7.7
159.02763	0.5
160.03943	1.4
162.05522	0.6
164.07082	8.6
175.02632	0.4
176.03441	1.6
187.08627	0.5
190.05020	32.1
191.05360	1.3
192.06613	0.9
198.09172	0.4
202.04929	0.5
207.03252	0.4
210.09196	5.8
211.09843	1.4
215.11850	0.6
217.13370	0.8
223.08640	0.9
224.10797	1.7
225.11247	0.5
226.12325	45.9
227.12663	2.6
229.13455	3.1
237.10286	1.3
239.11922	0.5
240.10201	0.7
243.08858	0.8
251.08302	0.6
251.11862	1.4
253.13371	0.5
258.11298	1.2
259.11005	0.7
261.12442	6.6
264.09042	1.0
265.09756	1.0
270.11353	14.6
271.11615	1.1
271.14508	1.0
279.11411	4.5
280.12140	3.2
281.12610	0.7
303.13498	6.1
307.10870	4.7
308.11462	0.9
309.12338	0.6
311.14001	1.6
323.17371	0.5
324.11130	2.2
339.13480	100.0
340.13782	9.0
367.16605	12.2
368.16919	1.3
386.19003	0.4
409.17676	5.4
410.18079	0.8
427.18765	0.7
428.19528	0.9
432.19324	0.5
460.22681	0.4
472.18262	0.5
473.19156	0.5
504.21381	1.3
554.26807	0.4
566.22571	0.7
598.25525	9.1
599.25598	1.8
601.26379	0.4
611.25006	0.5
629.26215	4.7
630.26880	0.7
643.27966	1.0
661.28809	3.8
662.28430	0.8
707.30579	0.4
767.32898	8.1
768.33160	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	767.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
63.10906	3.9
69.49580	30.0
71.01268	11.8
78.95779	6.8
85.02838	4.9
96.95920	10.7
96.96889	3.3
101.02319	3.9
107.96155	3.5
117.56989	3.2
118.34870	3.2
152.99423	6.0
205.00870	3.7
208.04428	3.7
297.13394	7.5
449.94315	3.7
537.01447	3.4
616.10052	4.1
791.28345	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	767.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	7.7
63.02265	1.3
65.00181	0.8
71.01255	6.6
73.02815	4.9
80.49317	0.6
81.03363	0.6
83.01256	1.8
85.02831	1.5
85.23174	0.5
93.03336	11.3
94.48100	0.5
96.95874	1.3
101.02339	2.7
112.93617	0.5
113.02344	1.1
125.00550	0.7
125.02296	1.1
129.01828	0.5
130.74847	0.5
135.00763	0.7
135.04436	1.0
137.02345	0.9
143.04912	0.5
145.02904	0.8
147.04402	1.3
150.98520	1.3
151.00279	1.6
153.00020	1.7
160.01572	0.6
163.00273	4.8
165.00067	1.8
165.05420	0.6
169.06502	1.0
171.04422	5.8
178.98026	5.1
179.98801	5.8
180.99599	4.3
188.01262	0.5
189.05455	1.4
191.01883	1.1
195.06470	0.9
204.99529	0.6
206.97519	1.4
209.02927	0.9
209.11781	1.4
211.03909	1.1
213.05556	2.1
227.01640	0.7
229.05118	0.7
231.01176	2.2
231.06596	0.9
232.01791	0.6
239.03485	0.9
243.01122	1.0
255.00920	0.9
255.03185	0.9
256.03659	0.7
257.04562	9.1
258.05002	0.9
259.00696	5.0
269.99802	0.7
271.00665	1.6
272.98764	0.6
283.00647	2.2
283.05692	0.7
285.04004	1.0
287.00134	1.1
299.00156	4.3
299.05331	0.7
300.00641	1.1
311.01773	0.7
312.02698	0.9
313.03748	0.6
313.98975	2.0
314.99673	4.2
326.99667	73.8
327.99954	5.6
335.12183	0.8
342.99207	0.7
355.15475	1.6
393.04596	1.0
405.06091	1.1
406.06921	2.0
420.03217	1.8
421.03851	48.8
422.04099	5.6
439.04788	4.7
440.05240	0.7
583.09235	1.7
601.10126	2.5
616.27496	0.6
643.11255	100.0
644.11530	15.9
723.07220	0.7
767.05792	3.3
768.04980	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.7
61.98728	0.8
63.96103	1.2
69.03323	0.8
71.01247	7.7
73.02805	1.8
78.95782	2.2
78.98460	6.2
79.95606	13.5
80.96387	76.7
81.95211	1.1
82.95960	3.5
85.02817	3.2
87.00742	2.5
94.97959	15.9
96.95896	0.9
97.02798	2.1
98.20531	2.5
101.02328	2.6
106.97942	4.0
122.97436	3.3
123.87949	0.9
125.02314	3.5
127.03938	1.1
134.97443	4.9
136.99026	3.2
148.99065	6.3
152.98502	6.5
152.99556	1.4
164.98538	13.2
196.33720	0.8
206.99625	3.9
208.83498	0.8
209.11671	1.3
225.00691	23.5
226.00813	1.2
227.00256	1.2
255.23325	1.2
277.21741	1.8
354.59152	1.0
379.51361	0.9
509.17032	3.7
537.27222	1.2
687.84314	1.4
765.40845	100.0
766.40991	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	765.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48359	1.7
55.01761	2.4
57.03308	5.2
58.19088	1.6
58.72750	1.7
59.01251	43.4
61.46753	1.8
61.98698	8.2
62.01363	1.8
69.03300	2.4
69.37589	7.6
69.38020	10.3
71.01249	39.4
72.61054	1.8
72.99188	4.7
73.02807	6.9
75.00748	5.1
78.95792	4.1
79.95618	4.3
80.96384	12.7
81.03323	5.0
83.01257	6.5
85.02828	11.1
87.00751	7.5
89.02315	30.9
93.03324	2.4
94.97991	3.0
95.01284	2.2
95.04881	2.9
96.95896	7.2
97.02827	7.7
97.06451	2.7
98.20433	6.3
99.00758	2.4
101.02319	29.4
106.04170	1.9
111.00742	4.7
113.02332	16.6
119.03404	7.4
122.06001	12.3
123.04356	4.8
125.02311	7.3
125.09614	8.7
134.05992	3.4
137.09599	3.9
143.03406	4.3
148.98946	1.8
152.07083	15.0
153.86200	1.8
161.04468	5.4
163.11220	11.9
171.10219	5.3
179.05542	5.6
185.11736	10.3
191.10699	2.4
191.14314	10.3
207.10213	6.9
209.11757	25.4
211.13354	6.0
221.06668	2.3
225.00793	3.5
225.11264	7.4
235.08170	11.3
245.19046	22.7
253.09340	4.2
263.07742	2.5
263.20114	2.9
277.09753	4.2
278.10809	2.8
279.10968	2.0
289.18085	83.6
290.18475	7.4
305.08755	2.4
307.19131	100.0
308.19452	14.0
309.20786	2.5
387.46069	2.0
397.13489	59.6
398.14014	6.2
415.14612	49.6
416.15094	3.9
419.18317	2.5
460.18762	3.2
549.46600	2.1
552.20911	2.8
565.24280	13.1
583.25104	2.5
585.23364	5.0
607.26471	3.6
636.27277	2.8
689.30231	13.4
705.33606	9.8
761.30530	2.1
765.33911	15.2
766.34869	2.6
796.33905	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54340	1.7
57.03322	4.3
58.00464	4.1
59.01253	39.3
61.98698	6.6
69.03300	2.0
71.01254	30.4
71.37534	3.1
72.99194	2.3
73.02821	6.1
75.00755	4.3
78.90044	1.8
80.02555	2.6
80.96394	3.6
81.03337	5.7
83.01255	5.9
83.04899	2.9
85.02831	10.1
87.00760	5.4
88.98660	2.2
89.02313	27.9
95.01259	4.2
95.04912	1.6
96.95869	4.6
97.02831	8.0
97.06471	4.9
98.61482	2.2
99.00765	2.0
100.91074	2.0
101.02312	27.3
113.02332	11.2
119.03387	5.1
121.02831	3.0
122.06005	5.8
123.04389	5.1
123.08045	2.0
123.63760	1.6
125.02327	9.1
125.09589	8.3
126.58595	1.8
131.03377	2.3
135.08076	2.9
137.09662	5.1
143.03362	4.4
152.07059	5.8
161.04424	5.1
163.11191	9.9
165.12766	3.0
171.10179	4.5
174.20016	1.6
179.05525	6.2
179.10718	2.1
181.12183	2.1
185.11768	12.2
191.14337	10.7
207.10233	5.5
209.11780	27.2
211.13371	5.2
217.15918	4.0
221.06598	2.9
225.11343	4.1
227.12854	3.5
235.08139	8.3
237.11256	4.3
245.19061	22.7
253.09221	5.6
263.20139	4.6
271.17072	2.3
289.18094	76.8
290.18332	6.2
305.08862	1.9
306.88693	1.9
307.19150	100.0
308.19476	7.6
325.20010	2.6
344.21887	1.8
356.60132	1.8
397.13455	54.4
398.13702	4.8
415.14575	49.1
419.18671	2.4
423.13593	1.8
585.23486	7.0
602.93402	1.9
607.25421	4.0
659.25580	3.2
705.33282	7.6
765.31049	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	765.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01733	1.4
57.03307	3.3
58.00480	1.5
59.01250	34.1
61.98700	9.4
69.03318	2.7
71.01254	36.1
72.99175	2.3
73.02816	3.5
75.00734	3.6
78.95764	2.1
80.96381	2.0
81.03332	2.9
83.01252	6.6
83.04890	3.7
85.02811	8.2
87.00745	6.9
88.98671	2.5
89.02312	24.4
93.03352	2.2
95.01260	1.9
95.04892	2.9
96.95873	5.8
97.02834	7.4
97.06459	4.5
97.34920	1.1
98.20285	6.5
99.00711	1.7
101.02321	24.8
107.03627	1.5
109.02775	1.3
109.06483	1.6
111.00794	1.2
113.02329	12.4
118.89767	1.3
119.03384	7.1
121.02845	2.0
121.06483	1.2
122.05998	6.1
123.04409	3.0
123.08054	1.9
125.02321	7.1
125.09595	9.5
133.04996	1.1
134.05980	1.9
135.08043	2.6
136.07574	2.1
137.09575	4.7
143.03389	4.6
152.07103	7.7
161.04497	5.8
163.11195	9.7
165.09108	1.5
165.12773	2.0
171.10147	5.1
177.12799	1.4
179.05507	6.5
181.12286	2.1
185.11745	7.6
191.10759	2.3
191.14375	9.1
195.13867	1.6
206.12814	1.2
207.10191	5.0
209.11765	27.0
211.13405	5.8
213.14832	2.6
221.06474	2.2
225.11234	3.8
235.08150	7.5
236.39478	1.3
237.11401	2.1
239.91998	1.2
245.19073	19.2
246.19351	1.6
253.09419	3.1
254.10373	1.2
263.07874	1.8
263.20145	4.0
271.17157	1.9
277.09598	1.4
279.11142	1.4
287.07953	1.7
289.18085	78.2
290.18542	5.9
305.08755	1.1
307.19128	100.0
308.19366	5.6
323.10098	2.4
325.20151	2.0
389.17575	1.9
397.13474	51.5
398.13766	4.0
415.14539	49.7
416.14835	4.3
418.17490	1.4
419.18542	3.3
463.17374	2.8
565.23669	1.4
585.23480	8.1
607.25781	3.0
641.25867	1.9
659.26367	2.6
687.31757	1.2
705.33398	7.9
706.32916	1.7
765.31427	4.6
766.32782	1.3
769.13086	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.0
60.99178	16.6
71.01222	0.4
72.31792	0.4
78.95784	0.4
83.37024	0.4
83.91913	0.3
87.00751	5.2
88.00278	3.5
88.01094	0.5
88.98679	100.0
89.02317	18.5
89.99021	0.5
95.42741	0.3
277.21677	1.0
347.37918	0.4
397.13651	1.4
415.14655	0.5
527.82385	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32902	0.6
59.01260	0.9
60.99183	16.5
61.98693	1.0
71.57545	0.7
71.57903	1.0
71.58565	0.7
75.28294	0.7
78.95775	1.1
87.00761	2.5
88.00274	2.7
88.98683	100.0
89.02324	11.0
89.99047	1.1
152.99553	1.0
260.74817	0.7
277.21793	1.3
397.13516	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	3.5
59.26915	0.6
65.03804	0.6
69.68946	2.3
69.69357	1.0
71.01237	1.0
78.95741	0.8
80.04916	0.7
81.89868	0.6
85.02831	1.1
93.03329	39.1
93.89735	0.5
94.03667	0.9
94.06538	0.7
96.95896	2.4
101.02296	0.6
104.04956	0.6
106.06516	1.6
107.03654	1.6
108.04430	3.3
108.08089	1.0
120.08072	7.7
121.02846	1.1
121.05218	0.6
122.06007	21.9
123.06252	0.8
130.02838	1.0
132.04424	6.0
134.06035	2.6
136.07573	3.6
148.03940	2.2
148.07578	100.0
149.07922	4.4
150.05498	3.2
152.07077	27.3
153.07362	0.8
158.02354	4.1
160.03923	1.6
164.07101	1.9
176.03413	2.0
180.06577	29.0
181.06952	1.2
188.07167	1.0
190.05026	21.1
191.01772	0.7
191.05609	0.8
192.06598	3.0
198.09113	0.8
204.39095	0.5
211.13484	0.9
214.08678	1.8
221.10974	0.7
225.10060	0.7
226.12274	0.7
242.11839	1.1
246.93266	0.6
249.06813	1.5
249.10310	1.0
250.07411	1.7
251.08235	1.7
252.08708	0.6
253.09630	1.6
253.13478	0.8
265.09705	3.1
266.10632	1.0
267.11322	1.2
277.09750	1.3
279.07959	0.6
281.09277	0.8
285.12402	1.3
286.10840	68.0
287.11194	4.8
293.09253	3.5
295.10834	5.1
296.11588	3.7
297.12488	3.0
307.10800	1.3
311.10477	0.7
323.10324	3.6
325.11911	1.6
340.10654	3.0
341.11063	0.7
353.11508	1.0
355.12967	98.0
356.13321	9.7
371.12418	3.3
391.16455	1.3
460.18814	2.1
504.17715	8.9
505.18216	1.1
536.20386	13.8
537.20941	2.2
582.22510	1.0
614.25146	6.4
615.25177	0.7
733.40295	0.7
765.31378	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	765.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36552	0.5
59.01255	4.4
61.98697	0.7
69.57775	3.1
71.01248	1.8
75.00742	1.4
80.96372	0.8
83.04887	0.6
85.02821	1.6
87.00712	0.7
88.98688	0.6
89.02318	0.6
89.61221	0.4
93.03339	25.5
94.02861	2.9
96.95892	2.7
101.02321	0.9
101.11308	0.4
106.06478	0.6
108.04417	1.3
108.08084	0.8
113.05990	0.6
116.92744	0.5
120.04401	0.5
120.08106	1.2
121.05203	0.6
122.06026	2.2
124.03956	2.3
134.06003	0.8
136.03922	1.3
136.07587	13.5
137.02344	0.6
137.07921	0.8
138.05505	1.9
147.05569	0.8
150.05504	1.3
152.07079	0.9
152.99545	0.5
158.02353	0.6
164.07143	0.5
169.12248	1.8
171.10158	1.9
175.05121	0.6
186.35245	0.5
190.05013	4.0
201.10214	4.6
209.10045	0.4
209.11710	2.2
211.08591	0.6
211.13364	0.9
213.10146	2.2
223.08708	0.4
225.10258	2.4
226.11024	1.6
227.08276	0.6
229.09824	6.7
229.13406	2.6
230.10033	0.5
239.11858	2.7
240.12587	1.3
241.09702	1.2
241.13451	12.0
242.13802	0.9
245.12982	0.9
247.10948	0.8
249.10355	0.9
251.11856	1.7
254.10481	1.1
255.11284	0.8
257.12946	2.9
259.10889	0.6
263.08096	0.8
264.08899	0.8
265.09644	0.5
269.12952	24.0
270.13208	2.1
272.11612	1.2
276.09076	0.6
277.09811	1.7
278.10574	3.0
279.11337	1.1
287.14001	14.0
288.14337	1.3
289.12003	1.9
289.18170	2.2
290.10611	0.6
291.11353	1.9
301.11957	11.1
302.12360	0.7
307.18881	0.6
319.12991	29.9
320.13513	2.4
339.13492	11.7
340.13492	0.8
381.18329	1.2
385.45258	0.5
397.13428	1.3
412.16684	0.6
425.17188	100.0
426.17587	10.4
427.19022	1.7
428.19727	0.5
471.17889	1.2
583.25568	1.6
609.24493	0.6
627.24481	4.3
628.25867	0.6
659.27203	5.3
660.27533	0.7
725.33984	0.5
765.31036	5.0
766.33240	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	765.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94819	1.3
58.50977	1.6
59.01245	5.8
62.71006	1.2
63.08530	1.4
67.80124	1.3
69.37924	11.9
71.01257	1.8
72.99176	1.3
75.00750	3.8
76.50774	1.3
80.04941	1.4
84.52649	1.3
85.02820	2.2
93.03330	15.3
94.02856	8.0
94.06484	3.1
96.95899	4.2
105.05711	2.6
106.06465	1.7
107.03677	7.4
108.02068	3.1
108.04415	2.8
109.02834	10.7
110.03178	1.4
110.06031	2.9
120.04456	3.5
120.08081	58.7
121.02851	3.4
121.05272	2.6
122.06007	100.0
123.06363	3.0
124.07589	1.9
132.04475	4.9
133.04950	1.7
134.06027	5.7
134.09663	2.2
136.03912	1.8
136.07607	2.6
137.04756	1.5
138.05496	13.4
139.02640	1.9
139.77731	1.3
140.07082	1.4
142.59688	1.5
144.04512	2.0
146.02411	6.6
146.05936	1.6
148.03912	2.8
150.05496	6.8
152.07072	47.2
153.07411	4.1
158.02385	5.7
160.04022	3.0
162.05544	2.2
164.03426	1.3
164.07095	9.5
166.05009	3.1
168.06584	46.5
169.06909	2.3
171.10199	1.6
174.01872	3.9
176.03432	3.2
188.03458	2.3
190.05048	26.3
203.05826	6.5
204.06435	2.2
205.03787	5.8
206.04535	10.6
209.11801	3.0
210.09161	5.8
223.08806	2.5
225.10381	1.4
226.08765	1.9
226.12335	32.1
227.12646	3.1
227.48161	1.4
235.08635	2.0
237.10286	4.7
239.11993	2.4
240.10275	2.0
242.11850	6.5
243.15018	2.8
245.12967	1.3
249.06743	2.2
249.10315	1.4
249.13293	1.4
251.08199	2.3
253.09802	2.9
255.14960	10.7
256.15332	2.2
263.08118	3.2
264.08926	3.1
265.09830	4.9
266.10550	3.4
267.11255	2.5
270.11411	11.3
271.11200	2.0
277.09793	3.4
278.10388	1.8
279.08273	2.1
279.11395	11.6
280.11899	1.9
281.09155	2.2
283.10898	2.6
286.10904	3.2
287.13962	17.2
288.14560	1.7
291.07761	1.5
291.11331	3.1
292.12195	1.5
293.09274	3.2
294.10178	3.0
295.10825	5.0
296.11530	1.8
303.13550	2.0
311.10239	3.3
313.11801	3.0
323.10342	8.8
324.11023	2.5
325.11978	12.2
327.09448	1.6
327.13177	1.8
339.09839	10.6
340.10455	3.5
341.11343	6.2
343.13037	3.9
353.11371	10.8
355.12979	61.6
356.13559	9.9
370.11539	1.7
371.12460	39.8
372.12827	4.2
373.14395	1.7
393.18210	10.9
402.18362	4.5
407.15857	4.1
408.16348	5.0
409.17432	9.0
420.08185	1.4
442.17746	1.5
444.19055	2.3
448.18726	2.5
488.18228	4.2
489.18970	4.4
492.17783	1.7
520.20972	5.6
521.21283	2.2
567.26331	6.6
584.24408	4.3
598.21942	1.8
602.25116	1.9
609.23517	2.2
611.25189	27.2
612.25049	6.1
614.25305	1.8
627.24524	6.2
630.24402	2.2
643.27679	21.4
644.28101	5.7
659.27399	5.8
721.32013	1.9
733.28302	1.6
765.30865	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	765.314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	3.3
61.98699	7.1
70.33015	2.8
70.33405	1.8
71.01250	2.9
75.00755	3.3
78.95768	1.2
80.04913	1.8
80.96406	1.5
83.01254	1.4
85.02831	2.2
87.43233	1.0
88.98644	1.3
89.02309	1.1
93.03339	5.3
94.06506	4.8
96.95885	4.9
101.02364	2.1
104.04929	5.6
106.06496	2.8
107.03649	8.7
108.04444	8.7
120.04446	1.1
120.08077	1.3
121.05276	1.8
122.06010	67.6
123.06349	2.5
124.07576	1.0
134.06030	9.8
134.55872	1.0
136.07558	1.3
139.02669	2.7
148.03970	2.9
150.05472	4.9
152.07083	100.0
153.07428	5.1
160.07559	7.8
171.10194	4.9
180.06450	1.1
182.08412	0.9
188.07054	2.6
189.07755	2.0
190.04950	1.1
209.11871	2.7
211.13377	2.0
213.14914	2.8
225.04411	1.1
225.06598	1.7
227.11938	1.7
235.08621	1.7
237.10483	1.1
239.90784	1.0
241.09776	1.8
242.10579	1.5
245.12917	1.9
249.10281	6.7
250.10876	1.7
251.11864	2.6
253.09685	6.7
254.08229	2.4
254.10631	7.5
255.11276	2.8
261.10382	1.3
263.08237	1.3
265.09738	3.0
266.10648	1.3
267.11224	1.5
269.12897	2.0
272.11624	4.7
273.12436	7.5
277.09793	17.0
278.10553	11.6
279.11356	8.6
289.09860	3.7
289.18036	1.1
290.10364	1.6
291.11398	3.8
295.10916	6.5
307.10709	1.3
310.09695	2.0
311.14114	3.0
313.11890	3.1
362.18314	1.3
368.14084	1.3
370.15445	1.1
371.14249	2.6
384.17258	1.8
387.13043	1.2
389.17563	5.5
390.18039	1.5
394.15765	1.2
396.13425	2.7
397.13620	3.6
398.15024	3.6
400.16559	4.8
401.17221	1.7
412.16751	7.7
413.17261	6.3
414.18002	3.7
415.14255	1.5
415.19110	2.3
416.19662	1.8
419.18588	14.2
420.18893	2.1
424.16663	1.4
432.19135	3.7
442.17761	10.3
443.18488	15.6
444.19128	5.4
445.16367	1.3
460.18759	30.2
461.18988	5.3
463.17578	7.0
475.17249	1.7
519.20111	1.3
535.20752	1.4
536.21771	5.1
537.23285	1.3
539.26385	1.3
541.24200	1.3
552.21075	4.7
553.22284	5.2
554.22809	9.1
555.23297	1.7
564.23737	1.9
565.24506	63.5
566.24890	11.1
583.25598	26.3
584.26324	4.8
585.23547	22.4
586.23975	3.7
627.24939	4.8
689.29767	88.2
690.30121	21.9
733.29083	4.4
765.31244	4.7
766.30768	1.5
782.20947	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	2.6
71.57973	2.2
77.71736	1.1
78.95784	11.2
110.98396	6.4
152.99454	2.2
160.95628	0.9
167.01003	4.5
171.40430	1.0
183.01112	1.5
185.02142	4.4
190.37856	1.0
227.07750	0.9
275.20233	1.1
277.21719	100.0
278.22034	7.4
295.22702	1.1
311.16739	3.9
316.72226	1.0
358.70990	1.1
445.23581	51.3
446.23987	3.9
763.45624	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	765.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	4.3
61.98708	6.4
71.01256	5.9
71.57476	1.1
73.02814	1.8
73.17546	0.9
74.28165	0.9
74.75900	0.9
75.00748	2.8
78.95737	1.1
78.98436	3.6
79.95595	7.5
80.04913	3.2
80.96390	37.1
85.02824	4.5
85.46423	1.0
87.00730	1.4
93.03326	10.5
94.06496	5.3
94.21436	1.0
94.97960	8.1
96.95896	5.3
98.02312	0.9
101.02288	2.9
104.04932	4.5
104.48781	1.0
106.06459	1.1
106.97952	1.8
107.03647	10.4
108.04425	3.1
109.08904	1.0
116.92731	1.3
120.04433	2.8
120.08113	1.4
122.06009	79.6
123.06323	2.4
124.07600	1.2
125.02306	2.5
134.06023	14.2
134.97488	2.5
139.02626	3.0
148.03908	2.6
148.99022	3.3
150.05473	7.4
152.07082	95.3
152.98466	2.7
153.07367	4.3
160.03914	1.4
160.07532	4.6
164.98509	5.1
171.10161	3.0
206.99721	1.6
209.11742	2.5
211.13341	2.5
225.00656	8.8
229.14532	1.1
239.08189	1.4
251.11707	3.3
253.09753	5.7
254.08089	4.8
254.10501	8.5
255.11063	1.9
259.08627	2.5
263.08087	2.1
265.09641	2.3
266.08081	2.0
267.11295	1.6
276.08899	1.1
277.06714	1.7
277.09796	34.5
278.10434	8.7
279.11304	7.8
281.09134	1.5
289.09799	7.1
290.10458	2.3
291.11304	4.0
295.10815	6.1
307.10751	1.4
310.09460	1.6
313.11932	3.7
322.09503	1.6
368.13635	2.1
370.15558	1.2
371.13898	6.7
372.14236	1.2
381.13260	1.3
383.13852	1.7
384.13181	2.4
384.17490	1.6
389.17136	4.6
390.17889	1.8
396.13501	7.0
397.13745	2.6
398.14926	4.2
400.16837	9.9
401.17099	3.3
410.14828	1.6
412.12244	1.3
412.16800	15.5
413.17450	8.8
414.18097	2.0
418.17612	1.1
419.18765	9.6
420.19394	1.9
424.16742	2.4
425.17593	1.5
426.18338	1.3
432.19141	1.2
442.17630	13.8
443.18304	8.9
444.19135	2.6
445.16022	1.9
446.17117	1.7
459.18051	2.5
460.18848	12.8
461.18918	1.6
463.17316	4.5
475.17441	3.2
487.17059	1.5
508.22351	1.4
517.78076	1.2
519.20422	1.3
536.21924	19.2
537.22479	2.9
552.21381	12.5
553.21924	3.0
556.21039	1.7
564.23016	1.9
565.24518	100.0
566.24890	21.2
583.25494	2.6
585.23511	17.5
586.23462	3.9
627.24103	3.7
672.73657	1.1
689.29810	68.5
690.30127	19.8
733.28363	1.9
765.33362	36.2
766.33490	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	763.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.6
62.11395	0.2
64.59224	0.2
71.01279	0.2
71.44376	0.5
82.14628	0.2
84.94985	0.6
87.00755	100.0
88.00277	5.2
88.01112	1.0
101.02309	0.3
116.46210	0.3
167.17468	0.3
277.21786	0.5
397.13416	1.3
415.14719	0.4
478.06467	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.9
63.96108	1.9
69.03312	1.0
70.13902	1.1
70.14300	1.0
71.01247	9.1
73.02805	1.1
78.56446	0.4
78.95758	0.6
78.98461	6.9
79.95599	15.1
80.96387	84.2
81.03314	0.7
85.02811	4.4
87.00751	3.0
94.97958	19.8
96.95868	1.0
97.02834	2.2
101.02298	2.6
106.97963	3.7
122.97472	4.0
125.02338	3.7
127.03842	1.1
134.97475	5.9
136.99042	1.4
140.99458	0.5
148.99048	7.7
152.98540	6.6
164.98553	13.0
206.99683	3.1
207.10146	1.4
225.00699	22.8
225.11302	1.1
226.00926	0.5
255.23166	2.4
283.04861	0.6
379.50067	0.5
504.70215	0.5
507.15710	3.2
537.27271	1.5
683.65338	0.6
763.39386	100.0
764.39722	19.6
764.53583	1.0
785.21875	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95281	2.5
56.62158	2.0
58.43495	1.9
59.01243	10.6
61.98703	6.1
65.55051	2.1
67.34906	1.9
71.01241	7.7
71.56950	2.6
72.48589	2.1
72.99178	3.0
75.00749	3.7
79.95603	4.5
80.56461	1.9
80.96365	3.1
85.02817	5.0
87.00762	3.5
89.02329	4.0
89.27188	1.9
91.59077	2.1
93.03329	6.2
94.06524	3.4
96.95882	6.3
97.02841	2.8
101.02316	4.2
107.03654	5.1
113.02290	4.2
122.06004	61.4
134.06010	9.2
139.86620	2.1
150.05489	15.2
151.05820	2.6
152.07072	86.4
159.10301	2.3
161.04388	2.5
167.06000	2.3
169.60446	2.8
171.10138	13.7
174.01633	7.0
190.05099	3.2
207.10170	7.2
209.11819	18.3
210.07994	3.1
211.08705	4.3
211.13321	20.1
212.15623	2.3
223.08679	18.3
224.09506	4.4
225.11450	11.4
227.12840	2.8
235.08702	2.1
237.10162	3.0
238.11034	8.6
239.08167	2.5
239.11870	11.5
247.08696	5.5
248.09447	7.8
249.10338	7.1
251.08144	2.4
251.11946	5.8
253.09610	2.9
263.08231	7.1
264.08905	3.7
265.09827	30.7
266.10205	3.7
267.01593	3.0
267.11340	6.3
271.10822	5.4
275.08270	4.4
276.09116	10.7
277.09775	13.1
278.10501	10.8
278.50995	2.5
279.11389	5.6
289.09625	4.2
293.09244	3.9
295.10742	2.8
297.08743	6.6
297.12219	2.1
301.01886	2.6
305.09366	2.7
306.10129	2.3
330.08719	4.0
336.31967	2.1
340.14609	4.8
341.11652	2.8
342.12460	4.3
355.13101	3.3
356.13931	3.3
357.14963	4.1
358.15857	3.9
368.14041	7.6
369.14825	2.5
370.15732	4.7
372.16977	6.1
373.17877	3.5
374.14938	2.9
375.15921	3.0
379.12665	3.9
382.11563	3.0
382.15872	4.9
383.16281	7.0
384.17209	4.1
385.18069	3.7
388.16681	6.4
394.11896	2.4
396.13541	10.1
397.13614	8.6
398.15192	14.6
400.16565	4.8
401.17087	2.9
402.18427	4.0
403.18988	11.7
408.13391	3.0
410.14938	7.5
411.15909	25.9
412.16571	8.5
413.17273	4.7
414.18161	6.2
417.16525	3.6
430.17737	19.5
431.18539	4.6
440.16348	12.1
441.16956	42.2
442.17383	9.6
443.18509	3.6
446.16992	5.9
447.17978	31.5
448.18707	15.5
458.17200	5.9
472.18823	2.8
473.19400	16.4
474.16727	4.8
475.17474	18.0
476.18063	2.7
502.16193	31.1
503.16418	5.2
506.19363	5.0
517.18134	6.1
533.22351	2.8
534.18494	10.7
535.19293	13.5
538.24506	2.3
563.22992	74.5
564.23096	9.1
569.23792	10.9
570.24683	6.0
583.22028	6.0
585.23511	10.1
595.25464	26.4
596.26147	4.1
597.23572	20.5
598.23956	4.9
607.22009	51.4
608.22601	10.6
609.22668	2.9
625.22461	5.5
628.23193	4.5
639.24579	100.0
640.24872	16.2
656.24658	10.3
657.25500	28.1
658.25891	6.0
671.32446	2.9
763.37189	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	763.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	5.6
61.98697	4.4
69.26448	13.9
71.01255	3.7
73.92926	1.5
75.00765	1.4
79.95618	2.1
80.96401	3.1
85.02840	2.9
87.00758	2.0
87.74226	1.3
88.98665	1.6
89.02301	1.8
93.03345	5.1
94.06506	5.6
95.37667	1.3
96.02747	1.2
96.95884	5.2
97.52647	1.5
98.20652	2.3
101.02354	2.0
105.01804	1.9
107.03644	8.2
108.04519	1.6
110.45721	1.7
112.42255	1.4
120.04414	2.4
122.06009	72.0
123.06384	2.6
133.04967	5.2
134.06003	9.6
139.02669	2.5
148.03793	1.5
149.04611	1.4
150.05518	16.9
152.07079	87.3
153.07419	2.7
159.10185	2.2
164.03465	2.0
166.05028	1.6
171.10236	8.4
209.07281	1.4
209.11833	8.4
210.07945	1.8
211.08606	6.9
211.13338	8.2
223.08711	18.9
224.09390	4.5
225.10558	2.7
227.12970	1.6
233.60478	1.6
235.08681	4.2
236.09494	2.2
237.06644	2.2
237.10301	4.8
238.11002	9.0
239.08215	4.0
239.11949	10.0
247.08748	6.3
248.09460	5.6
249.10280	10.4
250.07274	2.1
251.08258	3.5
251.11858	7.9
253.09727	1.6
257.12900	1.8
263.08273	7.7
264.08942	4.3
265.09802	32.5
266.10449	2.5
267.01733	1.6
267.11319	5.9
271.10861	5.5
275.08249	3.9
276.08969	13.9
277.09787	14.0
278.10565	8.5
279.08231	1.4
279.11252	7.1
281.12851	1.6
283.10760	1.8
289.09836	5.1
290.10406	2.6
291.11475	2.3
293.09250	2.9
295.10788	2.5
297.08777	3.2
305.09256	2.2
312.14972	2.4
328.10767	2.3
330.08545	1.5
330.12372	1.6
340.14508	5.6
342.12430	2.5
344.14047	3.3
352.10565	1.9
353.11664	3.3
354.12408	2.2
354.16190	2.9
355.13190	2.0
356.14066	3.3
356.17932	2.1
357.14880	4.7
358.15631	4.6
366.12302	3.4
367.13232	2.8
368.14005	11.4
370.15579	4.9
372.17255	7.7
373.17831	4.5
374.15009	3.0
378.12292	1.7
380.10031	2.1
381.11078	3.8
382.15851	7.7
383.16644	6.8
384.17072	4.4
386.18649	2.9
388.16516	9.7
394.11874	2.9
395.12476	3.5
396.13156	10.3
397.13828	6.3
398.15070	17.0
399.15286	3.2
400.16544	2.2
402.13730	2.7
402.18414	6.5
403.18982	12.6
404.19794	2.6
408.13608	4.0
410.15033	10.2
411.15826	30.8
412.16434	11.8
413.17413	7.5
414.18195	5.1
415.14432	2.1
416.15988	2.1
417.16827	2.9
423.15787	1.9
426.14606	4.5
428.16367	1.6
429.16519	2.0
430.17737	18.2
431.18549	7.4
440.16025	9.7
441.16901	42.7
442.17654	11.2
443.18607	2.8
446.17215	6.6
447.17917	33.3
448.18723	17.6
458.17123	4.8
461.15692	3.4
462.16571	3.1
472.18857	4.2
473.19638	18.6
474.16345	8.2
475.17438	15.4
476.18222	5.0
485.16272	3.3
490.20038	2.3
493.14825	2.2
502.16235	32.1
503.16302	2.8
506.19247	5.1
517.18268	3.6
518.19061	2.4
533.21875	6.3
534.18811	14.3
535.19305	17.5
536.20862	2.9
556.20728	1.7
563.22980	71.7
564.23389	9.4
565.24567	3.0
569.24225	10.5
570.24518	4.8
578.19403	2.5
583.21790	3.2
584.22729	1.7
585.23450	6.0
595.25684	24.3
596.26471	2.7
597.23596	17.4
598.23035	2.0
607.21997	44.8
608.22406	8.1
609.23175	3.1
610.22064	2.1
625.22675	3.9
628.23138	5.9
639.24561	100.0
640.24817	14.7
656.24646	13.5
657.25684	32.2
658.26056	4.5
676.28418	2.6
763.37744	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	762.4919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	3.5
63.02268	2.8
67.80331	2.7
71.01225	2.7
71.57379	6.3
78.95778	40.1
85.02811	14.8
96.38648	2.9
112.13577	2.9
127.12139	3.0
137.70264	3.0
140.01071	11.6
152.99467	9.1
171.10216	25.4
183.13850	25.8
195.43491	2.9
196.03749	4.0
211.13376	12.7
255.23270	75.7
256.23608	5.4
268.50504	3.3
277.21756	7.4
299.58548	3.4
327.21771	67.8
327.25385	5.0
452.27896	4.0
587.29602	3.1
762.49316	100.0
763.49884	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	761.5301
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41478	0.3
55.76192	0.4
66.95789	0.5
68.83778	0.3
70.33383	1.4
78.95781	0.4
80.91566	0.5
82.95289	9.9
83.02382	100.0
83.04906	0.8
84.00800	1.0
84.01907	13.6
84.02722	1.4
87.69097	0.3
121.02849	0.6
131.13557	0.3
135.57213	0.4
165.01875	0.4
225.15982	0.6
451.32925	0.6
677.49866	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	761.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.0
63.96111	2.3
69.03323	1.3
69.92957	2.5
71.01256	11.8
73.02817	1.7
78.98464	9.0
79.95609	18.2
80.96391	100.0
81.03330	1.5
85.02834	3.9
87.00739	3.8
94.97962	24.6
96.95866	2.1
97.02839	2.5
99.00745	0.8
101.02332	4.4
106.97958	4.4
113.02383	0.8
122.97459	4.1
125.02337	4.5
127.03922	1.1
129.77045	0.6
134.97485	7.2
136.99030	2.0
148.99051	8.8
152.98540	10.8
164.98553	17.7
167.00133	0.8
168.86516	0.6
188.98553	0.6
206.99641	4.7
223.13319	1.8
225.00714	24.9
226.00945	0.8
255.23276	1.9
276.28305	0.7
300.19501	0.6
400.87512	0.5
505.17545	2.4
506.17834	0.7
537.27319	1.1
761.41492	94.8
762.41827	20.8
762.55560	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.5
58.92083	1.4
59.01250	100.0
60.01595	1.5
69.03295	1.8
69.85302	1.4
71.01254	42.8
72.99211	1.6
73.02818	47.2
81.03336	1.8
83.01261	14.3
85.02813	7.3
87.00684	1.8
89.02326	5.1
93.03351	10.7
94.88056	1.4
96.95936	2.7
101.02324	43.6
108.02070	5.7
109.02869	2.7
111.04408	1.9
113.02318	17.3
119.03366	3.7
121.02843	61.2
122.03188	2.1
123.04395	4.1
131.03387	3.2
137.02327	2.1
139.03897	15.8
143.03415	4.3
144.32837	1.6
149.04480	6.1
161.04480	10.8
192.93857	1.5
203.05659	2.6
221.06714	4.6
267.08679	3.4
269.10358	2.9
279.89011	1.5
285.09854	3.6
327.11029	1.8
361.11157	2.8
618.95685	1.7
772.49957	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	761.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	2.7
59.01254	11.4
66.73741	1.9
71.01252	9.1
71.57796	2.0
71.99246	2.3
78.95774	3.3
85.02828	11.9
87.00769	4.1
89.02274	2.8
93.03336	8.7
96.95892	18.8
101.02329	3.7
109.02849	3.0
111.00781	3.1
119.03409	2.5
119.20516	2.1
121.02876	3.4
129.01831	2.7
133.01210	2.1
133.04922	3.5
137.02338	5.0
149.02318	5.7
163.00246	8.2
171.04405	2.9
171.10143	5.4
175.00291	5.0
176.01115	5.2
184.98967	5.2
191.01891	6.4
199.03802	2.8
201.11293	8.4
209.02890	2.9
209.11763	33.0
210.12054	4.2
211.03947	5.7
215.03452	3.8
225.05418	3.2
225.11272	4.8
227.12779	6.5
229.05084	2.8
239.03510	4.2
240.04083	4.7
241.04996	7.3
253.09308	4.9
255.02954	5.2
255.06612	3.0
256.03690	5.6
257.04581	6.7
266.02075	2.8
267.02945	6.4
268.03571	4.1
269.04596	17.3
270.01624	4.9
270.08911	2.8
281.04306	2.6
283.02524	21.1
284.03110	6.3
285.04022	12.1
295.02463	4.1
297.04004	13.9
301.10977	4.1
306.07632	4.0
311.02097	5.9
312.02786	26.3
313.03531	36.4
314.04077	3.5
317.08218	6.9
327.21478	2.4
345.07312	2.4
361.07144	5.2
373.06964	6.6
375.05087	4.0
389.06720	26.6
390.07278	7.4
391.07639	2.7
397.13531	2.3
406.06848	17.6
407.07434	5.0
408.91809	2.1
417.06116	8.8
418.06894	31.4
419.07657	36.8
445.20468	3.8
512.10864	11.7
513.11554	8.2
517.09918	38.1
518.10455	2.8
611.13989	49.4
612.14337	6.4
623.14026	100.0
624.14453	13.5
717.18195	18.4
729.70966	2.9
761.35034	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	761.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69521	3.2
59.01254	18.4
71.01250	8.2
71.57664	4.3
75.00736	4.2
78.95779	6.3
83.04903	4.3
83.43562	3.3
83.70527	3.5
85.02824	16.5
87.00764	8.7
93.03332	13.3
96.95899	24.9
108.54758	3.1
112.93594	3.5
114.66621	4.1
128.03439	3.9
136.30460	3.0
147.04462	3.9
149.02289	4.1
151.20688	3.8
163.00313	14.2
171.10165	9.5
175.00372	5.9
176.01073	6.2
176.85963	3.6
184.05212	3.7
184.99036	7.0
187.06981	3.5
191.01891	5.8
197.05997	3.3
199.09760	3.7
201.11218	13.9
207.10312	4.3
209.11763	48.3
210.12090	3.5
211.03894	6.1
213.05568	4.1
215.03494	5.6
225.11324	4.6
227.03548	3.3
227.12817	8.6
235.08302	3.7
239.03461	5.5
240.04305	5.5
241.04984	8.2
253.05066	3.7
253.09213	5.2
255.02988	6.2
256.03616	7.8
257.04596	5.1
267.03003	12.1
269.04492	12.7
271.02588	5.2
283.02460	27.0
284.03302	7.2
285.03937	11.6
297.04044	13.4
306.07571	3.6
311.01904	7.1
312.02734	37.4
313.03497	50.0
317.08102	4.9
325.03534	5.1
361.07394	6.0
373.07089	8.5
389.06638	24.8
390.07349	5.2
391.08163	5.5
406.07065	24.4
407.07416	5.0
417.06180	9.6
418.06961	25.3
418.81152	3.5
419.07800	28.3
445.20621	4.3
477.24545	3.9
512.11053	7.4
513.11542	7.0
517.09869	55.4
518.10187	4.7
563.10956	4.2
611.13861	67.8
612.14191	5.5
623.14014	100.0
623.23877	6.0
624.14276	13.8
699.41437	3.5
717.18481	19.7
761.35559	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	761.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99729	0.3
69.37594	2.0
69.37996	0.7
70.79871	0.3
93.03339	8.1
109.02807	1.9
119.04922	0.6
121.02862	0.6
137.02327	0.7
139.03973	0.7
142.06731	0.4
145.02861	0.9
147.00772	0.8
148.01552	1.2
149.02348	1.2
161.02425	0.4
161.63289	0.4
163.00229	0.9
165.01837	0.4
169.06497	0.9
171.04434	1.4
174.03099	0.5
175.00301	1.6
176.01172	0.4
183.04480	0.7
185.05983	0.6
187.03880	0.9
189.01814	0.5
196.05299	0.5
197.05989	1.4
199.03954	0.4
201.05573	0.5
209.06224	0.4
211.03957	1.8
212.04726	1.0
213.01840	0.4
213.05481	1.3
214.02641	0.5
215.03441	2.6
223.03932	0.8
224.04832	0.5
225.05544	4.5
225.07556	0.6
226.06070	0.6
227.03398	1.0
237.05516	0.6
239.03424	4.0
240.04282	1.2
241.05035	5.2
243.02867	0.4
243.06613	1.0
251.03461	0.8
252.04118	0.6
253.05093	3.8
254.02260	0.7
254.05630	0.9
255.02850	2.1
256.03641	1.5
257.04544	1.0
267.03003	2.2
268.03741	1.6
269.04547	12.9
270.05035	1.3
279.02856	1.2
280.03705	0.7
281.04498	4.4
282.01816	0.6
282.05295	1.8
283.02673	1.6
283.05505	0.4
284.03326	2.1
285.04004	2.4
289.08783	0.9
295.02563	1.1
296.03220	1.4
297.04077	13.4
298.04480	1.2
301.08649	1.2
303.06516	0.5
305.08142	0.5
307.02557	0.9
309.04089	0.4
310.04599	0.4
312.02679	1.1
315.06732	0.5
317.08209	5.6
318.08658	0.5
319.09802	0.7
324.02982	0.4
325.03448	2.0
327.06613	0.6
329.08255	0.6
331.06213	0.6
333.07727	1.8
334.08496	0.9
335.09152	0.5
345.07700	2.7
346.08289	1.3
347.05530	1.2
347.09390	1.0
349.07224	0.4
353.08783	0.7
359.05344	0.4
360.06509	0.8
361.07205	5.2
362.07776	3.1
363.08829	1.8
373.07184	5.5
374.07785	1.0
375.05032	2.4
376.05713	1.2
377.06650	0.5
388.05869	0.5
389.06668	24.5
390.07294	6.1
391.08209	4.7
392.08624	0.6
401.06665	1.6
417.06161	7.7
418.06921	28.8
419.07687	34.7
420.08026	3.4
512.11115	9.2
513.11859	10.4
514.12244	1.2
581.13654	0.7
623.14063	100.0
624.14429	14.8
675.17072	1.0
717.18170	20.7
718.18469	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	761.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27694	0.5
59.01244	0.6
64.03426	0.6
69.86510	2.3
69.86920	0.9
85.02805	1.3
93.03329	1.5
96.95877	1.8
103.82366	0.5
105.94241	0.5
109.02853	1.5
113.25011	0.6
113.58086	0.6
121.02866	0.9
137.02364	1.4
143.04901	0.6
148.01569	0.9
149.02376	1.5
161.02330	0.8
163.00290	5.8
169.06493	0.9
171.04378	2.3
171.10182	0.9
175.00308	1.7
176.01076	3.7
187.03937	0.6
189.05461	0.7
196.05107	0.6
199.03929	2.5
209.11876	1.1
211.03976	2.4
213.05463	2.6
215.03461	2.3
216.03499	0.7
227.03427	2.1
228.04204	1.2
229.04921	1.3
239.03406	2.1
240.04250	1.1
241.05006	3.4
242.02165	1.9
243.02922	12.4
255.02925	2.6
256.03790	5.0
257.04529	5.3
267.02911	4.4
268.03616	1.3
269.04535	2.6
270.01657	2.1
271.02499	4.1
283.02463	14.5
284.03232	7.1
285.04053	6.8
295.02350	1.1
297.04047	0.8
311.01941	4.6
312.02762	21.4
313.03500	21.0
314.03873	2.1
327.21799	0.8
332.06747	1.6
346.69116	0.6
349.07178	16.7
350.07394	1.3
359.05411	2.8
360.06284	2.3
361.07141	0.9
377.06662	18.7
378.07263	3.9
406.06909	44.1
407.07391	8.8
517.09857	26.0
518.10352	3.2
569.12457	1.6
590.95972	0.7
611.14032	100.0
612.14404	13.2
623.13873	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53820	2.0
59.01251	17.2
61.98695	6.9
70.61896	7.6
71.01260	17.2
76.98972	2.6
77.76319	2.0
78.55746	2.3
78.95766	4.7
82.95290	100.0
83.01272	2.3
83.02381	42.9
84.00782	94.2
84.01899	9.4
84.02702	3.7
84.94996	39.7
85.00279	3.0
85.02830	3.5
87.00723	2.3
89.02332	13.4
97.02799	3.3
101.02318	10.9
113.02319	9.0
119.03372	4.9
121.92960	1.9
125.02310	5.1
129.08307	2.6
154.79152	2.0
161.04504	5.1
235.08165	8.1
253.09253	3.2
277.21750	37.3
397.13449	51.0
398.13907	5.5
415.14499	21.1
448.55704	2.4
491.03726	2.6
700.33160	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	759.417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	7.5
69.84928	2.1
69.85331	0.9
71.01237	2.8
78.95766	0.6
83.04887	0.7
85.02805	0.6
87.00758	0.7
89.01792	0.5
89.02319	2.2
95.01336	0.6
97.02832	1.5
98.20103	1.5
101.02321	2.2
111.08057	2.8
113.02316	1.0
119.03375	0.9
125.09605	1.7
127.11172	1.9
161.04457	1.0
165.12779	1.8
167.10730	0.5
169.12265	0.7
171.10178	100.0
172.10567	3.4
193.12198	0.7
197.11769	11.2
199.13210	0.7
209.11765	2.2
211.13339	2.3
227.12820	1.1
235.08197	3.5
247.20729	0.9
253.09262	10.2
265.18045	0.6
291.16302	0.9
291.19644	15.5
292.20102	0.9
295.22702	1.1
296.23129	0.6
309.20694	34.9
310.21088	2.6
407.19159	2.8
463.30341	0.9
545.30139	1.5
759.42426	0.9
768.40283	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67145	1.6
57.03314	2.8
59.01249	42.6
60.81852	1.6
61.98711	8.7
63.84831	1.6
71.01247	6.0
71.37630	4.1
73.02817	3.5
73.52221	1.5
77.67973	1.7
78.95764	5.2
81.64875	1.7
85.02805	5.2
87.00757	3.5
88.98663	2.2
89.02303	4.1
96.95892	4.2
97.02831	3.6
101.02316	5.2
111.08012	1.8
113.02321	3.5
119.03368	2.0
125.02242	2.2
125.09576	2.1
128.62621	1.8
131.42159	1.8
135.39453	1.8
151.11198	5.0
161.04475	2.3
169.12251	34.2
171.10173	100.0
172.10500	4.6
197.11787	9.0
209.11778	4.1
211.13318	13.8
212.13618	7.3
213.11244	5.6
229.14407	3.7
231.12367	2.8
235.08098	3.0
253.09242	12.9
291.19659	6.4
309.20776	12.1
310.21225	4.2
327.21689	7.4
328.22150	5.5
329.22458	3.3
407.19171	4.2
467.20959	2.7
741.40417	6.1
759.41748	98.6
760.41565	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	759.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	10.6
61.84409	6.2
61.98701	30.8
62.52497	6.3
71.01254	8.5
78.95792	20.9
80.96387	31.4
83.73854	6.5
89.94834	6.4
209.11743	59.5
210.12074	7.1
225.00742	8.1
227.12823	18.2
235.08153	9.8
235.33760	7.3
253.09271	15.8
253.21497	6.5
255.22911	6.5
277.21738	100.0
278.65036	6.7
338.43054	7.3
462.24420	8.1
467.32892	7.4
759.40314	54.7
760.40607	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	757.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00186	1.1
53.51556	0.5
57.03305	0.8
59.00944	0.9
59.01250	17.7
59.86860	0.6
61.98698	1.0
68.99709	0.9
70.14494	3.1
71.01252	100.0
72.01559	1.3
73.02816	1.4
78.40892	0.7
78.95768	5.3
85.02822	1.3
89.02306	2.7
90.88675	0.6
96.95885	0.7
97.02828	0.7
97.45855	0.6
99.00764	1.4
101.02314	4.0
109.06487	3.1
113.02338	3.2
119.03425	0.9
123.08047	0.7
125.02319	0.7
125.09608	1.8
127.11178	2.3
141.27597	0.7
143.03407	0.9
145.04909	0.9
148.55255	0.6
152.99483	2.5
161.04471	1.6
163.11177	1.8
171.10172	67.9
172.10501	2.7
181.12234	1.2
185.11751	1.2
197.11771	0.7
199.09715	8.3
199.13281	2.1
201.11253	9.7
202.11539	0.8
207.10185	10.5
208.10524	0.9
214.84268	0.7
215.12846	1.6
225.11267	7.7
235.08224	3.2
243.12271	1.2
253.09242	11.0
261.06494	0.6
275.20047	0.7
277.21704	89.8
278.22040	9.5
443.18591	0.9
445.19656	1.0
461.20123	2.1
479.21173	0.9
655.88550	0.7
721.41504	2.4
722.42377	0.9
739.41809	1.5
757.43463	13.7
758.44348	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	757.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75125	0.9
56.87832	1.0
58.00459	1.6
59.01250	9.7
61.98695	3.6
68.99689	1.1
71.01251	100.0
72.01593	1.1
73.02815	1.6
78.95776	7.7
83.04932	1.1
85.02830	1.4
87.00778	1.6
89.02309	3.6
96.95884	1.7
99.00724	1.8
101.02333	3.9
109.06462	2.6
113.02297	1.5
119.03380	1.0
127.11163	2.4
129.24200	1.0
137.09543	1.2
149.05373	1.1
152.99490	4.0
159.15652	1.1
163.11252	2.3
170.28598	1.0
171.10176	48.0
172.10474	1.7
195.38008	1.1
199.09755	6.4
199.13361	1.5
201.11209	7.2
207.10181	10.3
208.10594	1.1
209.11746	1.2
225.11275	5.9
226.11523	1.3
235.08086	4.9
253.09264	8.3
277.21707	96.8
278.22049	9.6
343.10825	1.2
407.44989	1.3
432.81534	1.1
433.79642	1.1
447.22049	1.1
455.82813	1.0
465.23410	1.0
721.41626	3.0
739.43219	1.2
757.43384	12.6
758.44043	4.3
779.14252	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	13.5
66.85918	1.8
66.86277	1.8
70.18002	8.8
71.01249	92.6
73.02805	2.5
78.95786	5.9
87.00710	2.4
89.02304	5.0
96.95875	2.8
97.02834	1.9
101.02326	5.0
109.06458	9.4
113.02348	4.4
119.72166	2.1
125.09595	2.5
127.11156	5.2
148.74489	1.8
152.99489	2.6
155.10719	2.5
163.11197	4.4
171.10170	100.0
172.10472	2.5
181.12286	2.6
199.09682	18.8
201.11247	24.3
202.11491	2.2
207.10181	21.7
225.11272	15.4
243.12402	2.5
253.09247	15.4
277.21686	69.0
278.21964	7.8
286.33649	2.0
293.21365	2.4
307.22675	2.5
311.21796	2.0
351.60834	2.0
435.18631	4.3
461.20209	6.8
679.25360	2.2
721.41443	3.5
757.43170	15.7
758.42847	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	757.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	11.7
65.75720	1.2
65.92589	1.2
66.56203	1.2
71.01253	70.5
71.57438	2.1
72.01605	1.6
73.02799	2.0
78.95786	7.6
85.02825	1.7
87.00706	1.4
89.02315	3.0
101.02330	4.7
102.79707	1.2
107.86310	1.6
109.06507	2.9
113.02303	1.6
119.03362	1.5
125.09545	2.7
152.99471	3.2
161.04437	2.4
163.11203	2.6
170.41275	1.4
171.10170	42.2
171.11630	2.4
181.12224	1.7
197.11823	1.7
199.09721	8.2
201.11227	9.2
207.10202	11.6
209.11879	1.5
225.11253	9.3
235.08110	5.6
243.12184	1.5
253.09334	9.6
266.27530	1.5
277.21725	100.0
278.22089	11.5
294.84085	1.5
303.99420	1.4
657.48682	1.7
721.40991	2.3
739.42090	1.6
757.43616	11.9
758.43768	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	757.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	15.3
61.98697	3.0
65.14565	1.4
70.23421	5.4
71.01253	100.0
72.01589	2.2
75.95846	1.3
78.42333	1.2
78.95772	41.8
80.02705	1.3
83.04892	1.8
87.00746	1.5
89.02305	2.6
96.96842	2.5
98.20518	1.6
101.02316	4.0
107.04912	1.4
109.06467	3.8
125.09614	1.3
127.11186	3.4
134.98427	1.7
152.99492	21.6
161.04436	1.8
163.11185	2.1
171.10185	90.8
172.10526	3.8
181.12262	2.5
197.11732	5.4
198.12148	2.2
199.09692	9.4
199.13336	4.1
201.11270	13.6
207.10217	13.7
209.11702	1.8
211.13332	2.9
215.12839	3.8
216.13104	2.5
225.11327	9.6
243.12347	1.7
253.09235	11.0
255.34468	1.4
257.52588	1.3
269.04865	1.4
277.21732	61.6
278.22015	5.5
291.19507	1.7
293.21060	2.5
298.86710	1.5
309.20630	3.3
311.22308	8.6
321.75604	1.3
341.00595	1.4
347.56778	1.3
370.66156	1.4
417.82892	1.4
445.19931	8.8
447.21515	10.9
461.20215	3.8
465.22629	3.1
484.47327	1.8
635.96228	1.4
721.41351	1.7
739.42151	1.8
757.43195	34.2
758.42920	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	757.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90826	1.6
59.01254	35.4
61.98702	10.8
68.02389	2.2
71.01265	9.0
71.58048	2.7
73.02812	2.4
78.95775	43.5
87.00757	5.1
89.02296	5.6
96.95868	4.3
96.96835	3.7
97.02808	2.1
99.00748	4.9
101.02319	5.4
106.04123	5.6
108.02042	2.5
113.02357	2.4
113.05954	3.6
118.64722	1.7
125.09609	6.3
127.11169	7.7
136.99992	1.7
140.01051	7.0
146.34009	1.6
147.45778	1.6
152.99484	17.9
166.02657	2.5
171.10228	8.3
181.12273	5.4
183.01169	9.9
196.03793	3.1
197.11795	4.8
199.13368	9.8
201.11272	74.7
202.11584	5.0
207.10208	9.5
209.11726	2.0
214.04744	2.2
225.11304	21.8
226.11725	2.3
243.12363	7.8
253.09248	9.9
277.21707	46.6
278.22079	3.9
283.17090	4.3
291.19589	2.1
293.21146	3.4
295.22961	2.0
297.18610	3.2
309.20901	2.5
311.13553	3.7
311.16861	44.9
311.22379	4.7
312.17249	4.8
325.18381	4.8
338.09476	2.1
359.48969	1.8
361.27429	2.5
391.44061	1.7
414.30579	2.2
429.19980	1.5
438.51666	2.1
445.20068	2.9
447.21310	5.4
461.20187	6.8
474.67551	1.8
479.21564	3.3
537.22980	2.1
561.35736	13.2
721.42572	3.3
739.42761	9.3
740.42505	2.0
757.43665	100.0
758.40997	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	32.7
61.98700	4.4
69.06696	1.7
71.01249	8.3
71.56927	2.4
73.02823	1.7
78.95769	46.3
78.96210	3.2
83.01199	1.6
85.02825	2.4
87.00752	2.5
89.02316	2.7
96.95901	1.6
96.96827	3.8
99.00752	4.8
101.02327	6.4
102.21994	1.7
108.02084	1.9
110.74122	1.5
113.02271	1.8
113.05962	2.2
125.09610	6.0
127.11162	4.7
134.98399	2.0
137.00009	2.4
140.01085	7.0
141.09062	1.8
152.99474	15.9
155.10765	1.5
161.04492	1.9
163.11127	4.0
171.10170	6.0
179.01126	4.4
181.12270	4.2
183.01146	9.8
196.03769	4.1
197.11830	2.7
199.13342	9.1
201.11235	37.4
203.06693	1.5
207.10197	7.3
209.11795	1.9
211.13338	3.6
225.11261	16.6
235.08231	6.6
243.12296	3.8
253.09258	5.7
264.59283	1.5
277.21707	84.3
278.22083	8.9
293.21115	2.9
296.18851	1.9
309.20569	2.4
311.16846	28.9
311.20413	2.1
311.22125	3.4
312.17200	4.5
361.27658	3.3
445.20093	2.9
447.21609	3.9
454.88281	2.0
561.35461	2.9
721.41595	4.6
739.42645	8.2
757.43652	100.0
758.41620	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32862	0.8
57.03321	1.9
57.37968	0.8
59.01247	14.7
60.86932	0.7
69.03310	1.1
69.88422	4.5
71.01257	9.3
73.02818	2.4
75.00760	0.8
78.95769	3.6
79.95566	0.9
80.02524	0.9
81.03329	1.1
83.01277	1.3
83.04901	4.2
85.02820	4.9
86.03194	0.8
87.00758	2.2
89.02309	5.8
95.01276	1.0
95.04880	0.9
97.02808	1.5
97.06461	1.6
98.20484	0.8
99.00776	0.7
101.02316	7.7
103.23151	0.8
107.20792	0.7
109.06446	1.4
111.00732	1.0
111.08079	3.7
113.02350	4.3
115.16676	0.7
119.03387	1.6
121.10121	0.7
123.08061	1.0
125.09599	3.3
127.11179	3.9
137.09608	1.5
143.03453	0.9
146.94313	0.7
150.09048	0.8
152.99493	0.8
155.10646	1.4
161.04460	4.1
163.11223	3.6
164.07094	0.9
165.09204	1.3
165.12740	2.4
169.12216	1.2
171.10172	19.9
172.10555	3.7
173.10756	0.8
179.05499	1.1
179.10580	0.8
179.14337	0.9
181.12265	1.6
183.13853	1.6
185.11722	4.9
191.01836	1.1
195.13844	8.1
196.14397	1.1
197.11755	11.5
198.12073	3.0
199.13339	1.8
200.13544	0.7
201.11255	36.1
202.11560	3.7
205.12442	1.0
207.10185	3.4
209.11769	85.1
210.12091	9.8
211.13446	11.2
212.13754	1.5
223.13336	6.1
224.13614	1.0
225.11290	5.2
226.11606	2.1
227.12843	13.1
228.13341	2.3
229.14401	45.6
230.14767	3.3
235.08194	6.2
247.20927	0.9
253.09270	37.0
254.09680	3.6
255.09775	1.1
256.13098	1.6
275.20178	8.8
276.20560	1.8
277.21927	0.9
291.19659	7.3
292.19955	2.1
293.21228	100.0
294.21561	15.1
295.22614	8.7
309.20706	20.6
310.21036	4.0
311.22101	4.5
327.21875	1.6
437.20135	2.0
445.20590	1.3
461.20215	0.9
463.21475	0.8
465.23422	2.0
477.32404	1.9
492.21484	1.1
521.35034	1.2
529.30182	2.9
530.30121	1.0
545.29968	1.1
739.42883	1.0
757.42932	4.8
758.43127	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	16.7
61.98692	3.2
71.01251	4.2
71.58010	0.8
71.58424	1.4
74.29852	0.8
78.95779	18.6
81.03311	1.2
81.73877	0.8
83.01263	1.0
85.02855	1.8
87.00761	1.7
89.02316	2.2
95.04906	0.9
96.95898	1.3
96.96808	1.6
97.02831	1.1
97.06505	1.8
101.02323	3.3
106.71599	0.8
113.02345	1.8
119.03409	1.0
125.09604	2.8
127.11153	2.4
137.09558	1.3
143.03297	0.9
152.99496	7.6
161.04445	1.5
163.11195	2.7
169.12198	0.8
171.10181	100.0
172.10548	5.8
181.12274	1.0
185.11716	3.0
191.14308	2.0
195.13802	1.2
197.02867	1.0
197.11783	0.9
197.84966	0.9
199.13300	1.8
201.11230	1.3
202.56667	0.9
207.10291	2.8
209.11746	10.7
210.12057	1.0
211.13327	4.8
225.11290	4.2
226.11630	1.1
227.12839	3.0
229.14439	1.5
235.08157	3.6
237.11278	1.8
245.19102	4.8
253.09285	9.3
289.18100	29.0
290.18436	2.6
291.19614	1.1
293.21307	7.4
294.21503	2.6
295.22702	3.6
297.15381	4.1
307.19162	24.9
308.19321	1.4
309.20770	1.7
311.22141	2.1
327.21658	2.8
331.13901	1.0
429.20413	1.3
463.20959	1.9
471.34857	0.9
738.56464	1.1
757.43048	12.8
758.44397	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	757.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91176	0.3
57.03312	0.6
57.62691	0.3
57.98561	0.3
59.01247	14.6
61.98709	1.6
69.03308	0.4
70.51664	0.3
70.87272	0.9
71.01248	3.2
71.04863	0.3
72.26453	0.3
73.02815	0.7
78.95777	7.9
81.03334	0.8
83.01249	0.9
83.04902	0.5
85.02834	1.2
87.00716	0.8
89.02325	2.0
93.06932	0.3
95.04910	0.4
96.96836	0.9
97.02822	0.6
97.06464	1.1
101.02314	2.8
106.04142	0.3
109.06483	0.4
109.25874	0.3
110.70130	0.4
111.00780	0.5
111.08024	0.3
113.02357	1.5
119.03337	0.4
121.06451	0.4
123.04369	0.9
123.08006	0.4
125.09590	2.3
127.11227	1.6
135.07924	0.4
137.09613	1.2
141.05692	0.3
141.12691	0.3
143.03387	0.3
145.04938	0.5
151.11180	0.4
152.99489	4.6
153.09079	0.6
161.04466	1.2
161.09570	0.4
163.11208	1.9
165.12698	0.6
167.10741	0.4
171.10179	100.0
172.10509	3.7
179.05392	0.3
185.11737	2.4
191.14320	2.0
194.91489	0.3
195.13863	0.9
201.11311	0.4
207.10229	1.1
209.11748	5.2
210.12111	0.5
211.13419	1.5
223.13350	0.4
225.11383	1.8
227.12804	0.6
235.08197	3.5
237.11308	1.2
245.19080	4.7
246.19208	0.3
253.09288	8.3
254.09554	0.4
263.20230	1.6
271.16992	0.7
277.22043	0.3
289.18085	24.3
290.18359	1.8
291.19513	0.4
293.21143	1.8
294.21616	0.4
295.22791	0.5
307.19138	22.4
308.19458	1.5
309.20801	0.4
311.16806	0.5
327.21704	0.9
407.19208	1.5
429.20465	1.1
445.20624	0.4
463.21069	0.7
525.26727	0.8
543.28174	1.0
679.37378	0.4
697.38287	0.5
710.15015	0.3
757.43030	5.1
758.42657	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91919	2.1
55.47358	2.6
56.59809	2.3
57.21486	2.2
59.01249	2.7
61.86902	2.0
61.98692	6.4
62.09016	2.1
68.02422	4.1
71.01232	3.3
71.57798	3.3
77.56718	2.2
78.95766	9.8
80.96378	3.5
83.02515	2.1
101.05932	2.4
126.99450	100.0
127.99767	3.4
152.08192	8.5
207.10283	3.2
209.11810	3.8
215.38951	2.9
225.11308	7.4
275.15341	2.6
277.21729	9.6
293.21042	3.4
346.73871	2.3
378.15872	3.1
426.05615	2.6
442.79657	2.3
461.20081	5.7
462.20453	2.2
465.44183	3.2
721.41071	2.9
757.39001	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19319	16.3
58.51014	16.5
59.01251	30.4
61.98714	22.8
68.38032	16.5
71.01247	61.5
75.99632	15.3
78.95780	48.5
78.98438	15.8
80.96404	32.4
98.19799	66.3
152.99455	28.1
155.63371	17.3
157.07590	15.7
171.10164	31.8
207.10219	21.4
208.10335	17.0
225.11308	59.1
229.98306	20.6
275.42065	19.2
277.21631	90.6
293.21213	32.5
294.21408	34.0
311.22366	16.5
424.12625	15.6
440.57535	20.5
721.41400	34.2
722.40778	18.0
757.39313	100.0
758.39783	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	757.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	4.3
65.00201	1.1
71.01244	1.8
71.57356	1.0
71.57771	1.1
73.02815	1.6
85.02804	2.2
86.17437	1.1
93.03311	1.8
96.52865	1.0
96.95895	1.8
101.02290	1.5
109.02821	4.0
113.02324	1.0
114.01377	0.9
116.92727	1.2
119.01267	1.3
121.02839	1.1
126.99392	1.2
128.99168	5.3
128.99973	1.0
129.99478	1.3
131.12224	1.2
137.02307	2.5
148.01527	2.7
149.02319	4.1
156.91859	0.8
161.02348	1.7
162.03076	1.7
163.00269	10.3
171.04402	2.3
171.90482	1.0
175.00211	2.0
176.01141	4.6
176.25119	1.1
177.01794	2.0
183.04396	2.9
185.05966	1.6
195.04434	2.6
196.05180	1.8
197.06029	1.9
198.03145	1.8
199.03917	2.2
200.04694	1.9
200.70857	0.9
211.03926	13.5
212.04666	3.3
213.01851	2.2
213.05464	8.5
214.02580	2.1
215.03441	10.0
217.04863	2.2
223.03975	1.6
226.02618	3.0
227.03421	5.2
228.04218	3.6
229.05000	4.0
239.03450	8.0
240.04239	4.3
241.01450	1.8
241.05020	10.3
242.02130	4.1
243.02914	6.0
255.02908	8.8
256.03726	14.2
257.04486	14.7
266.02219	1.5
267.02966	25.5
268.03610	4.7
269.04416	1.9
270.01743	13.1
271.02435	7.2
281.59012	1.0
282.01483	1.1
283.02466	64.6
284.03122	17.4
285.04016	24.2
285.07162	1.7
295.02475	5.4
296.02737	1.0
311.01974	21.1
312.02734	73.4
313.03510	63.7
314.03906	4.9
349.07089	4.3
377.06708	6.9
377.88715	1.0
405.06122	2.4
406.06900	100.0
407.07330	10.3
432.06848	1.5
453.43143	1.0
515.31586	1.1
517.16986	1.1
663.15656	57.8
664.15790	9.4
757.19800	93.5
758.20081	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	756.5634
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00467	5.4
59.01251	100.0
71.01257	49.7
71.56434	5.0
71.56939	5.7
72.99169	10.3
78.95777	84.4
85.02831	13.9
89.02327	61.8
94.40735	5.2
95.01245	5.0
96.96838	13.6
100.03897	5.1
101.02337	45.6
113.02339	25.2
119.03387	35.8
141.01633	7.9
143.03423	4.8
152.99510	57.5
161.04453	6.5
171.10072	5.6
179.05469	15.6
185.35757	4.0
237.22255	5.8
255.23306	56.5
256.23672	7.0
277.21768	12.6
279.23312	11.8
280.26453	19.6
391.22556	11.4
534.48877	82.9
535.49170	6.7
669.44763	12.3
696.54083	90.1
697.54498	16.7
730.23309	5.1
756.50818	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	755.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	2.7
57.71556	0.9
59.01246	19.2
61.98703	1.0
69.03310	2.0
71.01257	10.3
71.04886	2.6
71.20560	2.1
73.02808	2.6
78.95760	4.4
83.04916	2.2
85.02809	1.7
87.00751	3.2
89.02311	5.0
95.04924	1.4
96.95871	1.1
97.02816	4.8
97.06456	3.3
99.00753	12.2
99.74467	1.0
101.02339	5.3
104.74860	1.0
109.06447	2.4
110.03667	1.1
111.08038	2.1
113.02307	3.3
119.03394	0.9
123.08046	1.6
125.09618	7.9
145.09953	1.1
151.83723	1.1
161.04471	2.4
163.11179	11.9
165.12822	1.3
167.10664	1.1
169.12271	1.7
171.10182	21.1
179.10756	1.8
181.12256	12.3
183.13756	2.5
185.11711	1.9
195.13835	8.6
197.11812	6.6
199.13338	16.7
201.11243	7.8
205.12234	1.2
207.10197	26.7
208.10513	1.6
209.11768	16.1
211.13368	4.4
223.13318	6.0
225.11270	48.4
226.11642	2.9
227.12813	8.0
235.08162	3.6
243.12363	7.2
253.09256	14.1
254.09634	1.1
275.20197	7.4
291.19577	7.6
292.19943	1.1
293.21222	57.6
294.21643	6.0
301.19287	1.0
306.65546	1.0
309.20734	10.1
310.20901	1.2
461.20175	3.8
479.21417	2.0
737.41156	6.9
738.40839	1.2
755.42188	100.0
756.42438	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	755.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.3
56.95202	0.3
57.03313	0.6
58.00462	0.4
59.01252	6.2
59.29259	0.3
64.14024	0.2
66.48478	0.3
69.03323	0.5
69.86403	1.7
70.51427	0.3
71.01246	4.1
72.99193	0.4
73.02814	0.8
77.15551	0.3
78.06960	0.2
80.02545	1.1
80.96387	0.6
81.03337	1.2
83.01236	0.6
83.04900	4.5
84.02032	0.9
85.02831	1.4
87.00761	0.8
87.59516	0.3
87.84243	0.3
89.02319	2.3
95.04913	0.9
96.95898	1.2
97.02837	1.7
97.06467	0.4
101.02330	3.4
109.06474	0.7
111.08047	3.2
113.02326	1.7
119.03406	0.7
125.02307	0.3
125.05971	0.8
125.09647	0.5
127.07523	0.5
127.11172	0.3
135.08044	0.7
137.09647	0.3
143.03419	0.4
145.04945	0.5
149.04552	0.3
153.09113	0.3
153.12775	0.3
161.04445	1.9
161.09595	0.3
163.11201	4.2
165.12756	3.8
168.54594	0.3
169.12247	1.6
171.10175	5.2
179.05482	0.7
181.12286	1.3
183.13864	0.4
185.11763	0.6
191.10693	0.9
195.13730	0.4
197.11772	16.7
198.12128	1.3
199.13339	1.7
201.11270	0.9
207.10199	0.8
209.11771	100.0
210.12096	5.5
211.13359	2.9
225.11263	3.2
227.12839	13.4
228.13242	0.8
229.14445	0.4
235.08163	3.8
235.17169	0.3
247.20589	0.8
253.09262	13.0
254.09686	0.6
263.20218	0.6
265.18005	0.5
270.69327	0.3
273.18533	0.4
275.20084	0.5
291.19662	14.4
292.19949	1.5
293.21240	4.6
294.21552	0.3
299.02127	0.4
309.20700	33.1
310.20981	3.0
414.35159	0.3
445.20560	1.0
463.21783	0.5
527.28882	0.4
755.42328	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	9.3
70.14468	5.0
71.01257	5.4
77.88475	1.2
78.95784	13.2
80.55624	1.2
80.96386	1.6
83.02885	1.3
89.02327	1.7
101.02345	1.2
151.11153	1.7
152.99495	4.8
169.12256	54.0
170.12654	2.0
171.10170	15.6
197.11763	2.5
201.11316	2.0
207.10226	2.4
209.11789	4.4
213.11156	1.3
227.12936	1.4
231.42583	1.3
235.08167	3.0
253.09364	6.2
263.83597	1.2
275.20065	1.6
277.21719	100.0
278.21924	9.7
293.21310	3.6
309.20605	1.9
311.22318	1.2
366.20996	1.2
405.21588	1.9
426.15051	1.7
437.52039	1.4
445.20129	2.6
513.30634	4.0
686.95929	1.5
709.41162	11.2
710.42090	2.2
727.42365	9.7
728.42615	1.4
755.41583	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	755.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04898	1.4
56.64211	1.6
59.01255	11.7
61.98704	3.2
71.01250	6.1
71.56768	2.0
78.03094	1.4
78.95773	12.7
81.86813	1.7
85.02824	1.6
89.02325	2.1
96.96842	2.2
101.02283	1.9
151.11153	1.9
152.99480	8.9
158.31584	1.6
163.70320	1.8
169.12250	100.0
170.12593	5.1
171.10170	26.9
174.22955	1.5
197.11700	2.1
207.10237	3.4
209.11769	4.9
211.13176	1.8
225.11247	2.2
235.08174	7.2
248.68349	1.5
253.09190	7.2
255.23312	2.5
277.21707	73.9
278.21954	5.3
293.21103	5.6
309.20813	2.6
363.12466	1.6
405.21442	7.6
407.19455	2.6
431.18753	1.9
449.20557	2.2
501.82214	1.6
590.78259	1.9
709.41644	12.3
727.43121	7.6
728.42999	2.7
755.41614	11.2
756.41382	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	755.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	9.0
61.59812	1.4
69.03327	1.8
69.72513	8.6
69.96877	1.3
71.01245	6.0
78.95780	8.7
89.02311	3.9
93.03333	5.9
96.95903	3.5
111.00608	1.3
114.82306	1.6
115.05415	1.4
119.03408	1.5
119.04894	4.1
121.02852	52.2
133.03877	2.2
134.04610	2.9
135.04437	2.4
143.04913	4.7
145.06435	2.5
147.04387	3.9
160.05243	2.8
165.05586	1.6
219.65259	1.6
237.09077	2.5
247.07600	1.9
251.07010	1.4
259.07465	2.1
260.19540	1.6
337.12329	1.5
341.11612	1.7
369.11310	2.5
391.13495	2.8
397.14209	2.5
399.88776	1.6
409.14716	1.9
415.14993	2.3
423.16110	1.9
426.25177	1.9
427.15671	7.6
445.16611	9.1
467.16241	2.7
473.17697	6.6
479.16431	3.5
485.17548	17.4
486.17566	3.5
497.17700	10.4
498.17850	3.4
503.18695	3.4
509.17505	5.2
515.18713	11.5
516.18903	2.3
527.18793	9.7
528.19067	1.9
533.19464	11.3
545.19714	36.1
546.20209	8.0
557.19458	11.6
558.19617	2.1
563.20740	100.0
564.21136	19.2
575.20764	87.0
576.20886	12.0
593.21747	8.7
755.33124	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	755.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47316	0.9
59.01260	6.2
69.03317	1.5
71.01248	4.0
72.99192	1.2
78.95788	4.4
85.02823	2.3
89.02335	3.0
90.25289	1.0
92.34241	1.1
93.03345	3.5
96.95893	2.5
101.02335	1.4
108.02123	1.9
112.00182	1.1
119.04929	2.6
121.02852	51.1
122.03223	1.1
130.04178	1.7
131.04927	1.3
134.04648	1.7
135.04428	2.8
141.30525	1.0
143.04921	2.7
145.06493	2.1
147.04395	3.5
152.99469	1.9
153.75693	1.1
159.74562	1.0
160.05263	2.0
161.05965	1.3
173.06004	1.8
174.95572	1.1
233.05966	1.4
237.09125	2.2
247.07745	2.5
259.07556	1.2
265.08746	1.0
284.21255	1.1
335.04086	1.1
341.11829	1.7
349.12302	2.1
353.11758	1.3
361.12326	2.0
367.13464	1.3
369.11279	2.8
381.11261	1.4
391.13351	1.5
397.14056	1.8
399.12619	1.6
409.14651	1.5
415.15494	2.4
427.15463	6.5
445.16473	5.8
455.16110	1.2
467.16687	2.7
473.17664	6.0
479.16571	2.2
485.17590	13.8
486.17941	2.2
497.17520	10.5
498.17310	1.4
503.18585	2.7
509.17645	3.2
515.18677	10.0
527.18695	4.2
533.19550	11.6
534.20581	1.7
545.19751	28.9
546.20264	3.9
557.19714	6.2
563.20764	100.0
564.21167	16.7
575.20770	69.1
576.21033	12.2
582.25446	1.2
593.21582	7.5
594.23138	1.5
707.23383	1.2
725.25702	2.6
737.25867	2.7
755.33356	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	755.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93621	1.0
59.01254	4.4
68.58678	1.2
69.55326	9.1
71.01250	1.7
78.95797	4.6
89.02299	1.5
93.03335	6.2
94.02868	1.5
96.95910	1.5
107.04942	1.3
113.02374	1.2
113.85362	1.1
115.05374	1.4
116.92766	1.4
119.03408	1.2
119.04922	4.1
120.08081	2.3
121.02848	52.7
122.03236	1.8
123.60637	1.2
124.09956	1.2
130.04120	2.6
131.04865	1.4
133.06425	1.3
134.03627	1.3
135.04381	2.9
143.04930	4.5
144.04443	1.6
145.06544	2.1
147.04370	5.5
152.99524	1.7
160.05118	2.2
165.05568	2.1
173.06035	1.6
195.46646	1.4
203.05981	1.2
226.12360	3.6
235.07610	1.7
237.09186	2.2
247.07547	1.6
249.09259	1.5
251.07069	1.2
293.90344	1.2
303.09805	1.1
327.13614	4.2
341.12006	1.7
349.12259	2.0
355.13345	1.5
361.12274	2.0
365.11877	1.7
366.12833	1.3
367.13409	3.4
369.11328	1.7
379.13321	2.0
383.12881	1.3
397.14328	2.9
399.12415	1.9
409.14322	2.1
415.15405	3.5
427.15353	11.5
428.15906	2.2
445.16647	17.8
455.16693	2.0
467.16602	3.4
473.17728	3.8
479.16769	3.4
485.17606	19.5
486.17950	1.5
497.17664	10.0
498.17761	1.8
503.18640	3.0
509.17554	3.6
515.18658	9.7
523.29102	1.5
527.18665	5.0
533.19757	12.6
539.18335	1.6
545.19733	37.6
546.20441	5.6
557.19708	8.9
558.20105	1.3
563.20734	100.0
564.21112	16.9
575.20758	96.4
576.21075	14.1
593.22028	6.4
725.26062	3.1
755.34216	1.4
781.72314	1.3
785.71771	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	755.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70144	0.6
58.41966	0.5
59.01252	1.0
69.03338	0.5
69.81153	2.7
71.01247	0.7
80.41613	0.5
91.45906	0.5
93.03338	2.1
114.55830	0.5
119.04898	1.7
121.02851	33.3
122.03182	0.8
130.04037	0.6
143.04900	1.1
145.06433	1.0
147.04402	1.6
160.05269	1.0
161.05977	0.9
175.09866	0.5
191.57845	0.5
202.17863	0.5
230.37448	0.5
231.17595	0.5
237.09103	0.6
247.07803	0.6
249.09079	0.6
252.05031	0.5
328.11038	0.8
329.11996	0.5
342.12744	0.8
355.13477	0.9
357.11310	1.9
361.12332	0.9
367.13165	0.7
379.13452	1.2
391.13547	0.7
397.14178	1.2
409.14319	1.2
417.13248	2.9
427.15509	1.5
457.16418	0.9
457.79678	0.6
467.16986	1.0
471.17841	1.0
473.17615	4.6
485.17694	6.5
486.18283	1.2
497.17694	2.1
503.18698	5.7
504.18735	1.2
515.18872	3.0
516.18903	0.9
527.18866	0.8
533.19641	11.2
534.20056	1.8
545.20160	2.0
557.19653	0.8
563.20575	3.7
564.20929	0.8
575.20844	1.0
593.21838	100.0
594.22174	16.5
746.23578	0.7
755.27332	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	755.2039
Annotation	Quercetin 3-rhamnosyl-(1->2)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
59.01252	1.0
60.70413	0.4
65.00197	0.8
70.34317	0.7
70.34702	1.0
82.67060	0.4
83.01257	0.5
85.02817	0.6
85.47070	0.4
96.95915	0.9
104.65767	0.4
107.01258	1.5
108.02055	1.2
121.02840	0.8
124.01526	0.4
126.77686	0.4
135.00781	0.8
148.01578	1.5
151.00279	4.5
159.59804	0.4
161.02396	0.4
162.83133	0.4
163.00305	0.8
164.01025	0.6
167.99725	0.4
169.01404	0.6
178.99788	4.3
199.03922	1.2
200.04364	0.5
211.03995	0.6
215.03342	0.5
216.04167	0.7
226.02646	1.4
227.03391	2.9
243.02940	10.6
244.03499	1.2
254.02138	2.5
255.02940	28.7
256.03458	2.0
271.02454	60.7
272.02933	6.1
273.03525	0.5
299.01941	2.8
300.02719	100.0
301.03229	11.4
302.03885	0.4
338.74203	0.4
489.10416	0.5
591.13702	0.7
640.25500	0.5
755.20343	62.6
756.20752	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	753.5137
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93650	0.4
57.30204	0.5
59.01233	1.0
61.98704	1.8
71.34630	1.0
72.99184	5.4
75.00748	100.0
76.00284	0.5
76.01072	0.6
78.49134	0.4
81.03329	1.5
83.04903	6.2
95.51898	0.5
95.96700	0.5
98.02361	1.0
118.10480	0.4
125.27574	0.4
128.03444	0.5
154.99980	0.5
161.92029	0.4
207.15047	0.5
224.17638	1.0
225.15982	2.8
306.07596	1.3
307.07791	0.7
396.75204	0.5
450.34448	1.2
451.33075	1.1
466.36768	0.5
675.48193	2.8
677.49756	5.2
678.50372	1.7
693.49146	20.5
694.49500	3.8
753.50171	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62794	0.5
55.01739	0.8
57.03331	1.4
59.01247	7.2
61.98703	1.0
69.03322	4.4
70.86430	1.1
71.01251	8.4
71.04897	2.2
72.99193	0.7
73.02819	1.2
73.41747	0.4
75.00749	0.7
78.95791	1.4
80.02570	0.6
83.01266	1.2
83.04900	2.3
85.02834	2.2
86.28114	0.5
87.00751	1.2
89.02316	2.9
95.01218	0.8
95.04893	0.9
97.02828	1.0
97.06437	2.2
99.00754	0.9
101.02328	5.3
108.02107	0.4
109.06480	1.1
111.04385	0.7
111.08009	1.2
111.30609	0.4
113.02322	3.2
114.83220	0.4
119.03403	0.6
123.08013	1.2
125.02343	0.5
125.09622	2.8
137.09604	1.1
151.11194	2.7
153.12747	2.0
161.04509	1.7
161.09587	3.2
163.11221	2.7
165.12749	1.0
171.10179	2.2
179.10701	8.4
179.14258	0.5
181.12257	1.5
183.13794	0.7
185.11819	0.9
191.14281	0.9
195.13843	3.8
197.11763	86.4
198.12138	5.0
199.13287	0.7
205.08856	0.6
205.12206	0.5
207.10175	3.2
209.11769	25.1
210.12108	1.3
211.13339	1.3
223.09758	1.9
223.13196	2.3
225.11319	2.9
227.12814	3.9
232.41167	0.5
235.08217	1.7
237.11348	0.6
241.10770	3.6
243.12598	0.5
245.19066	2.0
253.09221	5.8
275.20108	2.2
289.18054	7.2
290.18344	0.5
291.19693	2.7
293.21219	12.4
294.21570	1.0
307.19159	7.5
308.19516	0.5
309.06281	0.5
309.20706	2.9
459.18808	1.5
461.20395	0.8
469.08368	0.5
477.19794	2.1
591.35474	0.6
638.12262	0.6
640.31830	0.5
682.92725	0.5
735.39606	0.6
753.40656	100.0
754.40912	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	753.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	2.7
58.00454	1.4
59.01246	15.1
68.99690	6.9
69.03326	2.7
71.01257	14.7
71.04900	1.3
71.56991	1.0
72.35647	1.0
72.99180	2.8
73.02808	3.1
78.95759	1.0
80.02532	1.1
81.03329	1.1
83.01240	3.0
83.04891	6.5
85.02841	5.2
87.00745	3.8
89.02327	6.3
95.01245	1.9
95.04898	2.2
97.02821	6.8
97.06454	1.9
99.00768	3.0
99.04423	1.3
101.02311	9.1
101.80997	1.0
107.04939	1.4
109.02822	2.7
109.06486	7.3
110.03600	3.7
111.00742	2.4
111.04401	18.3
111.08021	4.8
113.02325	4.6
118.34856	1.0
119.03369	1.4
123.04399	3.0
123.08018	2.3
125.02328	1.4
125.05939	1.4
125.09593	4.0
127.11137	1.3
135.08046	3.0
137.09621	1.3
151.11179	4.3
153.09068	1.2
161.04462	2.5
161.09622	7.0
163.11163	5.1
165.12720	1.3
167.10628	1.5
169.12241	8.2
171.10178	55.8
172.10486	3.0
177.09093	5.2
179.10683	12.4
179.14209	1.3
181.12204	4.6
185.11725	5.3
195.10175	1.6
195.13846	12.1
196.14458	1.2
197.11772	24.4
199.09790	1.2
199.13350	2.4
201.11227	3.1
205.08600	14.0
207.10202	22.9
209.11789	16.3
211.13295	3.3
213.11235	4.9
223.09717	47.9
223.13048	7.8
224.10039	2.6
225.11288	23.8
226.11713	1.7
227.12877	8.4
229.77831	1.1
235.08220	7.0
235.17175	1.7
241.10703	3.7
253.09244	25.5
254.09558	1.8
256.13007	1.7
275.20120	12.4
289.18164	7.6
291.19720	12.3
293.21231	100.0
294.21552	9.9
307.19125	4.7
309.20740	17.0
310.20956	1.3
382.83990	1.2
397.40283	1.1
407.19186	2.6
408.50504	1.2
441.17639	3.1
459.18729	7.2
461.20245	4.9
477.19681	1.4
489.65396	1.2
499.30823	1.4
529.30273	2.2
709.37372	1.6
725.40796	1.6
735.39709	12.8
736.40436	2.0
753.40613	43.0
754.41290	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	753.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.9
57.03304	2.9
59.00997	0.8
59.01253	11.0
61.98695	1.1
68.99675	2.0
69.03313	1.8
70.34452	2.7
71.01250	11.9
71.04874	2.1
72.99181	0.9
73.02796	2.4
80.02525	1.2
81.03313	1.5
83.01260	2.4
83.04887	3.0
84.02021	1.5
85.02821	3.7
85.58113	0.8
87.00715	1.9
89.02311	5.6
95.01279	1.4
95.04854	1.3
97.02832	11.5
97.06449	3.6
98.03172	0.9
99.00758	15.3
101.02316	6.4
101.19659	0.8
109.06476	4.1
110.03601	2.6
111.04402	5.0
111.08047	7.7
113.02311	3.9
115.96424	0.7
119.03416	1.1
121.06479	1.0
123.04426	1.8
123.08020	2.6
125.02319	2.4
125.09619	8.3
127.07533	0.9
133.05011	1.0
135.08051	2.1
136.05205	1.8
137.05940	1.0
142.02571	2.8
145.04958	1.1
151.11140	1.6
153.09097	1.2
153.12654	1.9
161.04414	2.9
161.09602	1.5
163.11211	11.6
164.55016	0.9
165.12787	2.1
166.33513	0.7
169.12253	5.9
171.10167	15.9
172.10497	0.9
179.05629	0.9
179.10724	4.1
181.12256	20.6
182.12531	1.0
185.11728	2.1
189.09082	0.8
191.14336	1.0
193.12189	1.2
195.10179	1.2
195.13829	3.6
197.09947	1.9
197.11769	38.4
198.12103	2.5
199.09731	0.9
199.13339	4.8
205.08748	1.7
207.10207	58.2
208.10568	2.8
209.11781	18.2
210.12157	1.7
211.13336	5.9
213.11235	1.9
223.09695	9.9
223.13264	3.0
225.11273	100.0
226.11620	6.3
227.12846	9.4
235.08211	6.4
235.12111	0.8
241.10648	1.1
243.09871	0.9
243.12338	15.6
245.19075	1.0
247.20752	1.3
253.09238	14.9
254.09738	1.1
263.19977	2.1
265.18277	1.1
273.18628	1.4
275.20129	2.9
289.18091	6.2
291.19666	25.2
292.20029	1.7
293.21216	30.6
294.21414	2.6
307.19070	5.5
309.20688	47.5
310.20990	3.5
317.15952	1.2
365.45596	0.9
443.19153	2.5
444.43341	0.8
459.18976	1.6
461.20288	29.2
462.20532	2.7
479.21014	1.7
517.31415	2.3
535.33130	1.0
559.13977	0.9
735.39471	2.9
753.40619	53.4
754.40619	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.0
57.03301	2.6
58.44093	0.7
59.01252	13.1
61.98700	2.1
69.03329	5.1
70.60117	1.8
70.60453	1.4
71.01258	11.0
71.04882	3.1
73.02802	2.7
78.91762	1.0
78.95766	2.6
80.02541	2.3
81.03308	2.4
83.01256	2.8
83.04897	5.6
84.02031	0.8
85.02819	3.6
87.00752	2.3
89.02318	4.6
90.32476	0.8
95.01227	1.1
95.04900	2.8
96.95900	2.0
97.02819	2.7
97.06457	4.6
99.00760	2.1
101.02319	7.5
104.28864	0.8
109.06455	3.3
111.08015	1.7
113.02319	3.5
119.03378	1.4
123.08019	1.7
125.09628	4.2
126.99445	1.3
135.08058	1.7
137.09642	1.1
145.05000	1.2
149.09669	1.2
151.11163	5.2
152.99507	1.2
153.12756	1.7
155.10641	0.8
161.04407	2.3
161.09639	5.1
163.11230	6.3
165.12737	5.6
167.10655	1.5
171.10194	7.7
176.36990	0.8
179.05409	1.0
179.10707	9.7
181.12207	3.6
183.13667	0.9
185.11742	2.4
191.10709	2.8
191.14288	2.1
195.10167	0.9
195.13812	6.2
197.11754	55.5
198.12047	4.1
199.13310	3.2
207.10190	7.7
209.11763	100.0
210.12070	7.1
211.13257	3.8
218.05336	1.1
223.09755	1.8
223.13327	2.8
225.11259	9.5
227.10712	1.4
227.12828	17.7
235.08276	4.1
241.10725	3.2
245.19060	4.1
247.13435	1.3
253.09259	12.6
263.20224	4.0
275.20288	3.8
289.18082	13.8
290.18234	1.8
291.19641	4.6
293.21237	18.1
297.15237	2.5
307.19165	24.0
308.19406	2.6
309.20700	4.1
396.13202	0.9
434.62991	0.8
442.11432	1.3
445.20441	3.3
459.18430	0.9
461.20584	1.3
477.19739	1.7
543.27820	1.2
557.86652	0.9
639.72015	0.9
641.90302	0.9
735.39368	2.8
753.40607	92.3
754.40918	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04307	0.1
59.01245	0.4
60.75034	0.1
71.01257	0.3
71.57975	0.1
78.95798	0.1
79.95608	3.0
85.02824	0.3
89.02345	0.2
89.81988	0.1
93.03342	0.2
96.95891	100.0
97.95830	0.3
98.95496	0.2
100.26488	0.1
101.02294	0.2
113.02292	0.1
121.02819	0.1
122.05963	0.1
132.02106	0.1
133.04906	0.1
134.03653	0.1
146.03519	0.1
149.02359	0.2
150.03133	0.6
152.07048	0.1
160.01578	0.7
160.02774	0.1
163.00294	0.3
164.04611	0.1
165.05489	0.5
171.04416	0.1
175.03937	0.8
176.01067	0.2
179.07069	0.3
190.05188	0.1
195.06519	0.1
209.03006	0.2
217.96332	0.1
227.03488	0.2
255.03009	0.2
257.04398	0.2
261.11203	0.3
267.02927	0.2
283.02560	0.8
285.03976	0.3
298.04932	0.2
311.01859	0.2
312.02823	0.8
313.03473	0.9
355.12756	0.2
361.16422	0.2
406.06802	0.7
407.07230	0.2
457.98590	0.1
485.16833	0.4
509.21552	0.2
517.09888	1.4
518.10162	0.2
573.20636	0.1
611.14026	2.3
612.14496	0.4
657.27460	0.2
753.24249	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.0
58.00469	0.3
59.00943	0.4
59.01244	6.8
61.98701	0.4
62.29709	0.2
64.08715	0.2
65.23320	0.3
68.99677	0.3
69.03322	2.8
71.01252	5.0
71.04891	1.1
72.99168	0.3
73.02810	0.9
78.95774	0.5
80.02543	0.3
81.03339	0.4
83.01236	0.5
83.04897	1.3
85.02821	1.6
85.06472	0.5
85.99941	0.3
86.91583	0.3
87.00751	0.9
89.02312	3.1
93.03339	0.5
95.01247	0.6
95.04908	0.8
97.02821	1.7
97.06468	0.5
98.03146	0.2
99.00743	0.4
101.02324	5.1
109.06457	1.0
111.07277	0.5
111.08038	7.2
112.08456	0.4
113.02323	2.3
119.03385	1.2
123.08068	0.4
125.02328	0.3
125.09632	0.9
127.07544	0.5
135.11732	0.5
137.09627	0.5
141.09055	0.4
143.03415	0.4
145.04944	0.4
149.09660	0.6
151.11218	0.7
153.09131	0.6
153.12764	0.8
161.04454	1.8
161.13271	0.4
163.11142	0.6
165.12808	1.4
167.10689	3.5
169.12242	2.9
171.10202	1.5
177.12770	0.9
179.05492	0.8
179.10722	1.2
179.14314	3.6
180.14777	0.3
181.12267	1.0
183.13853	0.6
185.57726	0.3
187.11189	0.4
193.12248	0.5
193.15880	0.3
195.13832	10.9
196.13989	0.6
197.11758	34.0
198.12111	1.6
199.13359	2.2
205.12267	9.1
206.12611	0.5
207.10297	0.7
209.11749	1.2
211.13338	4.7
221.11749	1.3
223.13339	100.0
224.13666	6.5
224.15863	0.4
225.11298	0.7
227.12808	1.5
235.08212	4.9
239.12845	0.7
247.20586	1.0
248.20833	0.3
249.14941	0.6
251.16533	0.4
253.09244	17.2
254.09656	0.4
263.20154	1.6
265.18036	0.9
273.18555	0.8
277.84601	0.3
291.19653	20.9
292.20035	2.3
293.21179	1.4
305.17648	0.3
307.18976	0.4
309.20688	54.1
310.21024	5.5
433.20551	0.5
441.21252	0.5
459.22351	9.2
460.22952	1.2
515.33826	0.7
527.28619	0.6
545.29572	2.2
726.93640	0.3
751.42590	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	751.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96508	0.7
55.01752	1.0
57.03341	1.1
59.01257	11.0
68.33661	0.7
68.48589	0.7
71.01247	6.6
71.58137	1.0
73.02811	2.0
78.95773	3.4
83.01268	1.0
83.04896	1.1
85.02817	2.1
87.00772	1.1
89.02321	4.1
95.01198	0.8
95.04844	1.0
97.06491	1.3
101.02305	4.7
106.04134	0.8
109.06486	1.1
113.02320	2.1
119.03413	0.8
120.84122	0.7
122.56396	0.7
125.09592	1.0
152.99498	1.6
159.11717	1.3
161.04433	1.8
171.10065	0.9
177.12766	16.0
178.13057	1.1
179.05533	1.4
179.14243	0.8
186.00508	0.7
195.13834	93.3
196.14215	4.6
205.12323	1.0
207.10159	0.9
209.11768	1.0
221.11726	2.7
223.13329	4.1
235.08153	3.6
239.12848	9.3
253.09282	5.3
275.20181	3.9
289.18127	2.4
293.21240	32.1
294.21576	2.2
307.19061	1.5
309.20786	0.7
325.18460	3.2
326.18533	1.0
327.18225	0.8
443.18579	1.2
450.41083	0.9
457.20776	2.4
475.21783	5.6
751.42706	100.0
752.42969	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	50.1
61.98690	7.6
69.34019	39.5
70.02393	4.2
71.01257	37.3
72.99169	4.3
73.02811	7.7
78.95776	12.2
83.01253	5.5
85.02819	10.7
87.00748	6.8
88.54400	3.5
89.02316	25.4
96.95895	33.0
101.02331	31.4
113.02357	10.0
119.03419	8.6
125.02332	11.9
131.03419	3.8
140.59853	3.6
140.95345	3.8
152.99442	9.0
161.04398	7.4
179.05571	5.9
225.65060	4.0
235.08176	13.0
235.16939	21.6
253.09187	6.8
275.20358	20.9
287.07825	5.7
293.21246	95.6
294.21613	7.7
333.52859	4.6
397.13486	100.0
398.14059	6.6
412.45544	4.1
415.14670	35.4
443.56448	4.2
553.29535	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	751.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	34.7
61.98705	100.0
69.36806	18.6
69.37211	5.0
71.01260	34.1
72.99194	4.1
73.02821	5.6
75.00757	6.3
78.95789	5.3
80.96387	7.8
81.85963	3.1
85.02836	17.8
87.00741	3.9
88.17250	2.7
89.02312	18.2
93.03362	3.1
96.95904	6.7
97.02840	6.6
98.20307	10.6
101.02331	19.0
102.01846	2.7
113.02322	7.6
119.03403	3.7
125.02315	6.7
127.05631	2.6
133.04956	12.6
139.18027	2.5
145.80772	2.6
152.07057	3.1
152.99579	4.0
161.04498	3.2
171.10161	11.1
179.05530	3.6
207.10246	3.9
209.11729	14.5
211.13332	5.2
221.06691	3.9
225.00896	3.0
225.11266	5.3
225.53665	3.1
227.12825	3.1
235.08192	7.5
235.16957	28.6
236.17499	3.3
253.09415	7.9
275.20178	35.3
276.20306	3.7
289.17825	4.8
293.21234	80.3
293.24487	5.7
294.21494	6.1
305.17667	3.9
370.75937	2.8
397.13528	66.1
398.13562	5.1
415.14514	39.9
416.15121	3.7
541.59729	2.8
691.35388	3.6
728.31042	4.0
751.31464	9.9
752.32239	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90763	1.8
56.95679	2.0
57.03331	2.0
57.83985	2.0
58.00467	2.6
59.01252	34.3
70.15120	7.9
71.01260	28.0
72.57087	2.0
72.99187	3.1
73.02818	2.9
78.95778	6.3
80.46230	1.9
83.01241	3.0
85.02835	7.2
87.00739	3.9
89.02319	19.5
93.03301	2.3
96.95895	8.3
96.96861	2.4
97.02849	3.0
101.02309	19.2
113.02334	10.5
113.09611	6.2
119.03367	5.9
125.02332	4.7
143.03331	2.3
152.99484	3.6
161.04474	4.5
171.10194	4.6
174.99164	3.8
179.05499	3.1
183.13840	4.0
195.13780	1.9
217.00238	10.2
221.06618	2.6
235.08235	10.1
235.16995	2.9
239.73422	2.3
253.09254	4.0
275.20078	6.5
287.07309	2.4
293.21216	100.0
294.21616	8.1
295.48792	1.9
305.08847	2.7
309.20520	3.4
313.46426	1.9
397.13516	65.0
398.13721	5.8
415.14612	35.2
691.35596	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	751.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.6
61.98695	0.2
70.18768	0.4
70.19161	0.3
71.01276	1.3
72.99180	3.4
73.99529	0.2
75.00749	100.0
76.01093	0.8
76.05308	0.2
78.95769	0.3
79.73383	0.2
80.47549	0.2
87.00739	0.3
89.02329	0.8
97.02821	0.2
98.19799	0.2
101.02342	0.9
113.02325	0.5
119.03404	0.4
125.02378	0.4
143.03378	0.2
161.04536	0.2
179.05507	0.2
212.11856	0.2
234.23239	0.2
235.08257	0.5
253.09343	0.2
277.21732	3.8
278.22031	0.3
287.07782	0.3
397.13510	6.3
398.13901	0.6
415.14539	2.3
675.35608	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.1
58.23314	0.2
59.01024	0.1
59.01257	1.3
66.02627	0.1
69.67226	0.9
71.01244	1.0
72.99181	3.4
73.99520	0.2
75.00748	100.0
76.01087	0.9
78.95769	0.2
85.02825	0.2
87.00730	0.3
89.02324	0.9
95.01302	0.2
101.02325	1.1
113.02335	0.6
119.03388	0.3
125.02344	0.4
130.01329	0.1
143.03389	0.2
159.88301	0.1
161.04468	0.2
179.05612	0.4
213.39841	0.1
213.89249	0.1
235.08258	0.5
277.21741	3.2
278.22052	0.4
287.07870	0.2
344.72629	0.2
381.20999	0.2
391.44806	0.1
397.13498	6.1
398.13846	0.4
415.14578	1.9
524.15179	0.2
675.35956	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74202	0.2
59.01240	0.7
61.98694	0.3
65.22209	0.2
71.01263	0.6
78.95779	6.4
79.95611	2.3
86.38042	0.2
89.02325	0.2
94.97952	0.3
96.95893	100.0
96.96795	8.0
110.08645	0.2
113.43406	0.2
118.96548	0.2
144.98135	0.2
152.99480	0.2
170.48856	0.2
183.01176	0.3
229.72858	0.2
255.23270	0.6
259.01132	0.2
268.31693	0.2
273.02710	0.2
293.21164	0.2
311.16977	0.6
361.04568	0.2
385.19031	0.4
397.13681	0.3
415.14685	0.3
435.08121	0.5
453.09268	1.2
495.10144	0.3
567.95764	0.2
638.53961	0.2
656.57458	0.2
691.32263	1.6
697.70551	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29549	0.3
55.74906	0.3
58.14533	0.3
59.01257	2.9
61.23125	0.3
61.98694	0.5
64.79524	0.4
66.56145	0.3
69.41122	0.8
69.41538	1.8
71.01249	0.9
73.02827	0.7
80.04932	0.3
85.02853	0.5
93.03340	9.1
93.03919	0.6
94.06503	1.2
96.95892	1.4
101.02312	0.6
104.04958	1.0
105.05728	0.9
106.06516	0.6
107.03654	3.7
116.04929	0.3
120.04449	0.9
120.08086	35.6
121.05220	1.0
121.08455	1.7
122.06011	44.0
123.06359	1.2
124.07623	0.4
130.02890	0.9
131.03654	0.4
132.04443	2.8
133.04945	0.3
134.06029	2.5
134.09650	0.6
136.07603	2.8
137.04752	0.4
139.02647	0.5
146.06035	0.5
148.03970	0.8
148.07565	0.3
150.05496	2.7
152.07083	26.2
153.07417	1.1
158.02371	5.7
160.03889	1.4
162.05464	0.3
164.07086	6.0
176.03438	2.0
190.05023	25.6
191.05374	1.3
192.06577	0.5
210.09225	2.8
211.09988	0.3
221.07202	0.3
223.08690	0.9
224.10849	0.7
225.10204	0.4
226.12334	24.7
227.12749	1.8
235.05064	0.5
236.30844	0.3
237.10260	1.6
239.11926	0.7
240.10258	0.6
240.12611	0.8
242.15366	0.4
243.09053	0.5
243.15082	1.1
248.09311	0.4
249.06592	2.4
249.10321	0.9
250.07358	1.5
251.08226	1.2
251.11969	0.6
255.14986	5.2
255.17467	0.5
256.15353	0.6
258.11392	0.9
263.08289	0.7
264.09027	0.7
265.09830	3.0
266.10562	1.7
267.11365	0.7
270.11362	7.4
271.11530	0.4
275.92703	0.4
277.06326	0.7
277.09711	0.8
278.06729	0.6
278.10217	0.3
279.08493	0.4
279.11343	1.8
280.11884	0.5
281.09396	0.6
287.14023	12.8
288.14468	0.9
293.09454	2.9
295.07626	0.4
295.10941	1.7
296.11621	4.6
297.12341	2.0
305.09293	0.4
309.09003	0.5
309.12366	0.3
310.09558	0.6
323.10376	5.4
324.10907	1.0
325.11823	1.6
337.11975	0.7
340.10629	2.8
341.11325	0.7
355.12991	100.0
356.13293	10.5
393.18137	7.1
394.18369	0.7
402.18359	0.5
446.17468	0.5
488.18402	1.0
489.19019	0.7
520.20898	2.4
521.20972	0.4
543.31726	3.1
554.22906	0.9
567.26160	1.7
568.26819	0.4
582.22687	0.6
583.24139	0.3
611.25085	8.2
612.25531	1.9
614.25165	3.1
615.25488	0.8
617.57233	0.3
643.27777	4.7
644.27948	1.2
717.29529	0.6
749.32294	0.9
750.32001	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08414	0.6
59.01250	3.5
61.98698	1.4
64.31891	0.5
68.37840	0.5
69.69465	3.6
71.01246	2.4
73.02789	0.6
75.00755	1.0
75.49862	0.5
82.16071	0.5
85.02800	1.7
85.45529	0.5
89.02303	0.7
93.03326	8.4
94.03635	0.8
94.06496	1.1
96.95890	6.0
98.19854	1.1
101.02322	0.6
102.26232	0.5
104.04964	0.7
105.05710	1.0
106.06544	0.5
107.03650	3.7
113.02283	0.8
120.04443	0.8
120.08077	36.7
121.05238	1.0
121.08431	1.0
122.06004	48.0
123.06363	1.5
130.02892	1.1
132.04437	3.3
134.06018	2.4
134.09680	0.8
136.07558	2.7
137.04732	0.8
139.02603	0.8
147.03020	0.8
148.03940	1.1
150.05493	3.1
152.07072	30.3
153.07446	0.9
158.02393	5.2
160.03952	1.2
164.07065	6.2
171.10204	1.2
176.03436	2.3
184.06201	0.5
190.05022	27.8
191.01927	0.9
191.05327	1.5
201.11411	0.6
209.11766	1.9
210.09236	3.4
223.08743	1.1
224.10756	0.7
226.12346	25.0
227.12627	2.6
235.08682	0.6
236.09320	0.6
237.10326	1.7
239.11713	0.6
240.12527	0.8
243.15071	1.1
249.06680	1.8
249.10390	0.7
250.07542	1.0
251.08200	1.2
255.15009	6.0
258.11264	1.3
263.08182	0.6
265.09833	2.7
266.10501	2.2
267.11377	1.2
270.11353	6.8
271.11911	0.6
277.06500	0.8
277.09802	1.6
279.11432	2.3
281.09283	0.8
287.13992	11.2
291.11160	0.8
293.09277	2.7
295.10858	2.3
296.11636	4.8
297.12390	2.5
323.10336	4.6
324.10895	0.8
325.11896	1.8
326.12079	0.7
339.10156	0.6
340.10654	2.9
341.11023	0.6
355.12979	100.0
356.13324	9.8
393.18173	7.7
394.18478	1.3
446.17285	0.6
448.18726	0.7
488.18253	1.0
520.20789	4.4
521.10150	0.6
521.20313	0.6
543.31879	1.9
544.32440	0.8
554.23346	0.8
567.26044	1.4
599.28680	0.9
611.25018	9.6
612.25281	1.8
614.25110	3.1
615.25073	0.9
643.27655	7.2
644.27979	1.7
740.17908	0.6
749.31262	5.3
750.31873	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54795	1.6
56.37948	1.6
59.01247	4.0
70.93390	4.0
71.01224	2.6
71.51434	1.5
80.04948	2.7
85.02828	1.7
93.03347	2.5
94.06505	4.6
96.95892	4.0
106.06522	2.7
107.03634	10.5
120.08083	18.9
122.06010	78.5
123.06400	2.0
124.07545	1.5
124.61377	1.5
125.02299	1.7
132.04474	3.6
134.06001	6.5
136.07588	2.4
139.02673	2.7
147.65834	1.5
152.07077	87.6
153.07445	3.2
164.07037	2.2
171.10124	2.0
174.05504	1.9
186.05461	1.9
190.05006	4.2
197.11800	2.8
209.11755	3.5
223.08698	6.8
224.09486	3.5
225.10387	2.0
235.12434	2.7
237.10345	12.5
238.10995	3.9
239.11813	7.7
245.12946	4.5
251.08192	3.7
251.11835	6.2
263.08246	5.4
264.09021	11.8
265.09726	7.2
267.11304	3.0
271.10776	2.6
276.09192	1.9
277.09836	3.4
278.10522	5.9
279.11374	43.0
280.11966	6.4
291.11383	11.6
292.12100	1.9
295.10867	7.8
305.09149	2.6
311.13763	2.6
311.93347	1.8
322.09436	2.1
323.10406	11.5
324.11023	1.7
325.09610	5.5
340.57703	1.6
355.12866	2.6
360.17212	3.8
384.17102	2.0
388.16669	2.3
389.17392	2.0
398.19196	2.5
402.18179	11.8
403.18970	3.1
404.19913	1.9
414.17557	1.8
416.20200	2.2
443.18179	2.0
444.19562	11.8
445.19809	4.3
448.18600	4.6
461.19449	3.3
470.17325	1.9
471.18030	2.9
487.17413	4.0
488.18353	25.4
489.19135	11.2
490.19363	1.9
520.20868	44.3
521.21106	7.9
525.24780	3.0
530.08521	1.7
567.26099	22.2
568.26221	5.9
582.22174	7.2
611.25079	100.0
612.25391	18.0
614.24530	3.2
643.27704	67.7
644.27948	14.4
717.28796	4.5
720.48438	2.1
749.31250	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	749.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62252	0.3
59.01245	1.4
69.26800	1.1
69.27222	1.3
79.05401	0.2
80.04965	0.4
90.28576	0.2
93.03333	11.2
94.03665	0.4
94.06508	1.2
96.95873	0.5
100.77911	0.2
104.04947	0.9
105.05692	1.1
106.06510	0.6
107.03638	3.9
108.04420	0.3
116.75100	0.2
120.04442	1.0
120.08076	38.0
121.02879	0.3
121.05207	1.1
121.08427	1.5
122.06003	50.0
123.06355	1.4
124.07620	0.5
130.02855	1.7
131.03661	0.8
132.04442	2.7
134.06018	3.0
134.09631	0.7
136.07567	3.0
137.04672	0.4
139.02612	0.6
147.03131	0.7
148.03911	0.7
150.05502	2.8
152.07072	31.8
153.07430	1.1
158.02377	7.2
158.06035	0.3
159.02724	0.2
160.03961	1.6
161.05875	0.2
162.05536	0.7
164.03378	0.3
164.07085	6.3
165.07382	0.3
176.03448	2.1
190.05014	29.2
191.05333	1.7
192.06561	0.8
196.07722	0.2
202.05000	0.3
204.37747	0.3
210.09210	3.2
211.09889	0.5
211.12308	0.2
212.10773	0.4
221.07202	0.2
223.08772	1.0
224.10748	0.8
225.10303	0.8
226.12321	29.5
227.12654	2.1
237.10344	1.3
238.11111	0.6
239.11855	0.8
240.10320	0.4
240.12646	0.8
243.08904	0.3
243.15019	1.8
245.12967	0.4
247.08632	0.3
249.06659	1.5
249.10426	1.1
250.07387	1.0
251.08185	1.9
251.11954	0.4
255.14983	5.6
256.15433	0.3
258.11267	0.8
263.08215	0.5
264.09061	0.7
265.09845	3.1
266.10513	1.5
267.11133	0.6
270.11325	8.3
271.11581	0.8
277.06314	0.5
277.09732	1.0
278.07123	0.2
278.10507	0.4
279.08246	0.4
279.11319	2.3
280.11829	0.2
281.09329	0.7
287.13998	12.6
288.14319	0.8
291.11328	0.5
293.09244	2.6
295.10901	2.4
296.11615	3.5
297.12366	2.4
310.09610	0.4
311.10449	0.3
323.10333	5.2
324.11044	1.5
325.11847	1.6
327.13559	0.5
331.14771	0.3
340.10614	3.0
341.11087	0.5
355.12964	100.0
356.13297	9.6
393.18170	7.5
394.18530	1.0
402.18195	0.7
444.19144	0.6
445.19879	0.3
488.18201	0.8
489.19189	0.4
520.21082	1.7
554.22687	0.7
567.26202	1.3
570.26495	0.5
582.22589	1.8
599.28571	0.9
611.25085	7.5
612.25433	1.2
614.25031	10.1
615.25482	1.7
643.27679	6.4
644.28174	1.2
677.29651	0.6
705.33203	0.3
749.31866	9.9
750.32098	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	749.319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	5.0
59.25821	0.9
61.81699	0.9
61.98727	1.0
69.33952	9.2
71.01272	2.6
80.04943	3.0
85.02827	2.1
86.43326	1.0
91.48702	0.9
93.03339	26.2
94.06507	4.3
96.95922	1.4
101.02312	1.8
104.04922	1.2
106.06501	2.4
107.03658	8.4
113.02321	1.5
120.08080	20.3
122.06007	73.2
123.06339	1.9
130.06561	1.3
132.04439	5.5
134.06007	8.3
136.07513	1.0
139.02655	2.6
148.03947	1.8
150.05542	1.3
152.07077	100.0
153.07416	2.9
158.02403	1.3
160.03949	3.0
161.04654	1.3
164.03500	1.6
164.07121	1.6
169.11113	1.1
174.05550	2.6
190.05025	6.1
209.11433	1.0
212.10770	2.8
221.10742	1.0
223.08696	4.9
223.12462	1.2
224.09393	3.2
225.10260	2.3
233.10835	1.5
235.08524	1.0
235.12393	3.7
235.17055	1.0
236.09612	1.3
237.10281	10.3
238.10956	4.8
239.11816	6.2
245.12994	5.0
249.06664	2.1
249.10419	2.6
250.07394	1.6
251.08310	5.1
251.11821	6.6
263.08356	5.3
263.11945	1.4
264.09021	7.6
265.09799	8.6
266.10406	1.8
267.11368	6.3
269.12817	1.1
276.09067	1.2
277.09753	3.6
278.10535	3.1
279.11386	42.5
280.11786	5.3
281.12991	1.8
283.10864	2.2
291.11368	7.7
292.12067	1.8
293.09604	1.2
295.10843	7.6
295.14059	1.7
309.08331	1.5
313.12036	2.2
316.12064	3.3
323.10434	10.5
324.11090	2.4
325.11938	6.4
326.12610	1.5
330.13760	3.2
331.14471	8.7
332.14780	1.5
355.13147	2.8
357.12534	3.0
360.17136	2.5
364.13873	1.1
371.13684	2.2
373.15518	6.0
385.15445	1.7
389.17194	1.4
402.18259	7.8
403.18573	2.0
404.19571	2.2
414.18045	1.7
416.20047	1.6
417.15012	1.4
443.18176	1.5
444.19275	6.1
445.19684	3.4
448.18811	3.9
461.19452	2.0
471.17618	1.7
488.18323	8.1
489.19046	8.6
496.22839	1.3
520.20905	6.5
538.15363	1.5
538.23499	19.5
539.23694	4.2
554.22668	1.4
567.26141	10.9
582.22437	72.9
583.22662	12.9
611.15106	1.3
611.25085	45.7
612.25464	8.5
613.24304	4.0
614.25067	62.0
615.25592	11.0
643.27637	40.5
644.28046	6.7
717.29004	3.1
749.31952	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	747.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65657	0.8
56.05746	0.9
59.01250	2.2
61.98698	2.8
63.96110	2.1
65.06785	0.9
68.79723	0.9
71.01246	10.2
72.99123	0.9
73.02814	2.3
76.73721	0.9
78.95779	2.9
78.98457	7.4
79.95606	27.6
80.96387	73.9
81.03333	1.6
85.02820	2.6
87.00762	2.6
94.97963	15.5
96.95898	2.7
99.00764	1.3
101.02323	3.2
106.97992	4.6
122.97469	3.5
125.02324	3.1
125.09583	2.8
127.03900	1.4
134.97464	4.1
136.07515	0.9
136.98987	2.0
148.99055	5.5
149.35582	1.0
150.59605	0.8
152.98537	5.3
152.99597	1.6
164.98572	11.8
171.10197	3.7
187.09637	1.9
206.99622	2.7
211.13379	2.2
216.40273	1.0
225.00705	21.8
241.00191	1.0
253.09413	1.1
259.02228	0.9
283.04950	1.2
341.05356	2.1
355.07068	1.6
397.12491	1.2
453.14532	2.3
553.19360	1.1
575.25641	1.7
631.30194	1.3
747.36292	100.0
748.36719	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.1
61.98691	1.5
64.88602	1.0
69.54565	2.0
69.54969	5.0
85.02836	1.0
93.03323	4.3
94.06521	4.9
96.95895	6.0
100.88091	1.0
103.03895	1.1
106.06513	1.0
107.03648	10.1
117.03268	0.9
120.04405	1.2
122.06007	63.2
123.06326	1.1
124.07539	1.7
134.06015	8.9
139.02640	3.3
145.02837	1.5
150.05508	3.4
152.07077	100.0
153.07463	2.4
171.10172	2.6
171.58672	1.0
177.05569	1.3
180.06395	1.1
201.11191	2.8
211.13388	1.2
215.12933	0.9
235.08705	3.2
236.09430	2.0
237.10217	5.5
239.11873	1.1
247.08844	1.5
248.09442	2.4
249.06575	1.3
249.10310	14.6
250.10989	4.8
251.08237	1.2
251.11833	3.9
262.07388	6.8
263.08218	19.2
263.11081	0.8
264.08957	6.5
265.09790	1.6
275.08209	4.2
276.09134	4.7
277.09808	31.4
278.10583	50.4
279.11237	13.1
280.11813	1.2
289.09760	3.5
290.10620	9.4
291.11343	14.4
292.11877	1.9
295.10852	1.1
309.12354	1.8
322.09573	4.6
323.10135	1.7
340.14835	0.9
341.12543	1.3
357.15891	1.1
358.15634	1.2
368.14114	1.6
370.15439	2.5
382.11761	2.3
383.13779	3.4
384.17148	2.7
388.17502	1.1
395.13452	1.5
396.13400	1.8
397.13974	1.1
398.14749	4.8
400.16681	6.6
402.18130	2.6
410.15121	2.0
412.16437	4.7
413.17349	3.4
414.13940	1.7
414.18585	2.1
415.19391	5.4
424.16763	1.1
428.16238	6.6
437.09863	1.0
442.17645	11.8
443.18491	25.9
444.19199	4.3
459.17606	1.0
469.16437	2.0
474.20374	3.4
475.21185	4.3
486.16199	2.2
487.17462	23.0
488.17841	4.2
518.19061	2.5
519.20001	10.3
548.21722	1.5
565.24579	10.8
580.23773	1.7
581.25549	2.1
597.27191	10.6
598.27380	2.0
609.23535	68.8
610.24133	7.9
624.23071	2.2
625.24103	4.2
641.26135	68.4
642.26459	9.4
703.31177	9.8
704.31396	1.7
747.30328	52.6
748.30420	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	747.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82089	1.4
59.01255	2.7
61.98695	4.9
71.01248	2.1
71.38483	2.5
77.77273	1.0
85.02814	2.5
87.00730	1.3
93.03337	3.2
94.06491	4.8
96.95890	3.4
106.06511	1.4
107.03652	10.8
119.46511	1.0
120.04422	1.0
120.10803	1.0
121.05209	1.9
122.06006	65.3
134.06001	10.1
139.02631	4.4
145.02817	2.1
150.05516	4.0
152.07076	100.0
152.99536	1.2
153.07401	4.4
171.10139	2.0
177.05493	1.9
178.52827	1.0
201.11349	1.2
211.13310	1.5
220.33601	1.0
223.08582	1.1
235.08618	3.0
236.09283	1.1
237.10251	4.3
247.08655	1.5
248.09444	2.7
249.06532	1.8
249.10280	15.6
250.07448	1.8
250.11035	3.2
251.11945	5.8
261.10266	2.6
262.07367	6.3
263.08234	22.2
264.08966	5.9
265.09561	2.2
275.08282	4.5
276.08914	3.4
277.06696	1.5
277.09808	30.9
278.10580	51.4
279.11285	13.2
289.09848	3.4
290.10559	9.5
291.11313	15.1
309.12231	1.4
322.09589	3.3
357.15823	1.7
370.15491	2.3
382.11963	1.9
383.13779	3.7
384.17358	2.3
385.13400	1.5
385.18091	1.6
395.13547	1.7
398.15070	4.4
400.16611	7.6
401.17142	1.5
402.18127	2.3
410.14893	2.0
412.16418	4.0
413.17447	4.3
414.18307	2.9
415.18826	4.4
425.17258	2.0
428.15939	6.6
442.17715	12.8
443.18396	25.2
444.18903	4.4
459.18207	1.7
474.20282	3.9
475.20920	3.4
486.16507	1.7
487.17410	25.3
488.18027	6.6
518.19495	1.9
519.20081	9.2
520.20831	3.1
548.22162	1.6
565.24371	11.6
566.24390	2.3
568.22974	1.6
581.25195	1.8
592.20520	2.4
597.27167	10.2
609.23535	68.1
610.23718	10.4
624.22882	2.5
625.23914	5.3
640.24774	1.6
641.26215	72.7
642.26288	11.2
703.31201	13.0
704.31641	3.0
747.30371	72.1
748.30487	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	747.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91005	3.4
59.01251	4.8
59.55222	3.5
61.81180	3.6
61.98692	4.4
63.02269	5.7
65.00166	5.4
68.01293	22.3
69.98341	18.5
71.01243	7.9
83.04904	4.4
85.02824	14.1
93.03336	16.2
95.01271	8.4
96.75642	3.1
96.95884	5.9
98.19716	4.1
107.01254	4.7
109.02836	18.3
111.00761	8.0
119.04857	4.1
121.02888	5.4
122.03619	5.3
123.00753	7.6
123.04404	3.3
124.01490	4.6
125.02306	6.3
133.02826	5.7
135.00804	6.0
136.01578	3.7
137.02342	12.7
139.00249	4.5
139.03914	8.8
145.02887	7.8
147.00696	4.1
147.04422	8.2
148.01555	10.6
149.02367	17.2
150.03069	4.2
151.00272	10.5
153.01846	4.4
159.04436	7.3
161.02335	10.2
161.05998	5.3
163.00270	33.4
164.01064	4.8
165.01810	7.0
165.05511	8.0
167.04973	5.4
169.01274	5.1
169.06432	5.1
171.04425	24.4
174.03136	5.5
175.00262	5.8
175.04007	6.8
176.01013	13.3
177.01857	7.1
180.00526	4.0
183.04387	9.4
184.05185	3.8
185.02415	4.4
185.05965	4.3
187.03943	7.7
190.99818	6.1
191.01836	9.2
195.06612	5.3
197.05957	3.8
199.03914	13.5
200.04720	4.3
201.01909	5.0
201.05504	5.8
203.03427	13.7
205.01347	8.3
211.04001	20.2
212.04637	6.8
213.05501	11.0
214.02507	4.7
215.03427	14.0
217.04970	9.3
226.02574	3.7
227.03551	20.3
228.04271	9.6
229.05000	15.1
230.05588	4.6
231.02821	4.5
233.04495	5.6
239.03430	12.8
240.04358	4.4
241.01456	3.9
241.05014	10.8
242.02141	6.0
243.03009	27.8
244.03601	4.7
245.04509	14.2
247.19475	4.3
255.02954	39.0
256.03702	14.0
257.04526	44.3
258.05090	6.5
259.02469	7.4
259.06128	4.6
266.02377	3.9
267.02890	18.5
269.04657	5.9
270.01779	8.1
271.02484	32.6
272.02905	6.0
273.03928	5.7
275.05573	5.1
283.02481	88.5
284.03220	18.4
285.04059	43.3
287.02017	8.4
289.03308	4.7
295.02658	6.2
295.06009	4.9
299.02048	16.3
299.05225	3.8
300.02695	25.4
301.03506	16.5
311.02029	25.6
312.02704	61.8
313.03491	82.0
314.04105	6.3
315.01508	7.3
315.05136	10.1
327.01489	7.4
329.02841	9.6
337.07101	3.8
338.07919	5.1
339.08752	9.9
359.15063	4.1
365.06494	5.5
367.07803	5.7
377.06665	58.6
378.06989	4.9
392.05261	4.5
393.06113	28.1
394.06781	6.0
395.07574	10.9
403.04742	11.0
404.05057	4.5
405.06140	100.0
406.06497	22.9
407.07727	7.5
420.04587	5.7
421.05621	80.6
422.06284	9.2
423.06729	4.1
438.05649	8.4
439.06583	10.1
537.20966	6.1
597.14850	7.2
609.14886	20.6
611.16516	4.9
621.14575	90.6
622.14435	9.6
632.02075	4.3
637.14307	7.3
641.13635	14.1
675.19135	6.1
677.49695	6.7
691.47144	4.9
692.47821	6.9
693.49274	4.5
703.18774	8.4
728.16168	4.5
729.16644	33.9
747.17786	75.6
747.30865	6.5
748.18353	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	745.5025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.4
60.48615	0.3
61.98701	0.7
62.22810	0.3
62.96258	0.5
70.89017	0.7
70.89392	0.5
78.95773	70.6
79.95621	0.7
80.96375	0.7
88.80401	0.3
92.92686	0.3
94.40780	0.4
94.92387	0.7
96.96835	6.4
101.15855	0.3
104.58717	0.3
110.98399	0.6
116.97158	0.4
134.98398	0.6
141.01648	0.3
150.98004	1.5
152.99484	58.5
153.99815	0.6
163.98250	0.3
171.00551	4.1
171.10190	0.5
184.34923	0.3
197.11763	0.5
211.13290	0.5
227.03149	3.9
228.81326	0.3
245.04321	1.2
253.21684	15.5
254.22084	0.7
255.23285	2.7
256.23560	0.4
277.21646	0.5
279.23355	1.7
281.24832	100.0
282.25180	8.1
283.26321	1.4
311.22256	0.7
417.23874	1.5
463.24744	0.4
491.27521	0.5
509.28802	52.2
510.29141	5.4
745.50208	15.4
746.50623	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	743.4876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	9.1
67.86697	1.0
70.14613	3.0
70.15030	2.2
78.95782	33.8
96.96839	3.0
102.53654	0.9
108.03999	0.9
141.01590	3.9
148.70372	0.9
152.99501	22.7
153.43936	0.9
159.52330	0.9
171.00568	4.6
217.00414	1.3
227.03165	1.7
234.97565	2.2
255.23279	87.7
256.23633	7.0
277.21732	100.0
278.21988	7.1
307.73230	1.2
355.99615	1.0
391.22531	4.2
413.21179	1.9
465.26129	1.7
483.27246	2.4
505.25827	1.6
743.48682	49.0
744.48877	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	745.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	27.7
60.51678	0.9
69.07803	1.0
70.05452	0.9
71.01259	10.0
72.99195	1.5
73.02830	2.9
83.01262	2.5
85.02811	7.4
95.01244	1.5
96.95897	12.9
98.20613	2.7
101.02312	6.2
102.82394	1.1
107.04883	2.3
113.02356	2.0
124.01526	1.1
125.02322	1.6
133.04971	1.3
135.04408	54.7
136.04727	1.2
147.04404	1.9
152.30132	1.0
160.05199	1.5
175.07550	4.6
186.48740	1.0
189.09142	9.0
191.01843	1.5
201.48705	1.0
215.69238	1.1
243.37920	1.2
276.17264	27.3
276.20117	2.0
277.17697	2.5
291.19681	10.3
318.18402	1.6
390.20319	1.3
420.09061	1.3
420.21515	34.6
421.09171	1.8
421.21783	4.8
435.23846	48.2
436.24152	7.5
438.22540	49.7
439.22787	5.5
453.24899	79.4
454.25284	10.4
480.23517	2.9
495.25995	100.0
496.26401	14.2
539.24701	13.5
540.25201	1.6
583.14642	2.4
597.29108	2.0
701.30273	12.9
702.30560	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	743.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.1
57.03321	1.3
58.00470	1.1
59.01252	43.6
65.22209	0.5
70.08031	2.5
71.01252	23.9
72.99167	1.7
73.02821	6.9
79.37923	0.5
79.95548	0.6
83.01283	3.5
85.02343	0.7
85.02822	10.1
86.85146	0.5
87.00766	2.5
89.02326	8.9
95.01270	2.9
96.95870	1.2
98.20252	1.4
99.00755	2.0
101.02320	15.5
106.31359	0.5
107.04913	0.9
112.88019	0.5
113.02332	10.9
119.03391	4.5
125.02310	0.9
135.04411	22.5
136.04774	0.7
147.04451	0.5
159.04425	0.6
160.05188	0.5
161.04472	0.5
173.05963	0.8
174.06767	3.8
175.07573	1.7
189.09145	21.5
190.09503	0.8
191.02022	0.6
213.09171	0.8
256.14621	7.4
257.15118	1.1
258.16299	3.3
271.16995	2.3
274.12946	1.1
274.15756	15.6
275.16043	1.2
289.18134	5.3
418.19907	9.8
419.20432	1.0
433.22278	35.9
434.22571	5.0
436.21011	16.3
437.21329	1.6
451.23358	64.9
452.23666	9.1
478.22159	1.9
493.24423	100.0
494.24829	12.9
537.23395	10.1
538.23798	1.5
595.27252	1.7
613.29059	0.7
655.29156	0.7
699.28729	10.6
699.39551	1.0
700.29321	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	743.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05066	0.5
59.01246	0.7
60.99180	16.9
61.98702	7.8
67.05177	0.5
71.01240	0.6
71.57932	1.2
78.95782	1.2
80.16692	0.4
85.25053	0.5
85.61221	0.5
87.00726	2.5
88.00281	4.3
88.98681	100.0
89.02319	15.9
89.99029	0.8
95.69028	0.5
97.80270	0.5
152.99493	0.6
230.62236	0.5
256.02835	0.5
272.20618	0.4
397.13409	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	743.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.9
59.01250	32.8
63.35961	0.3
69.03313	0.4
69.41927	0.3
69.87444	0.6
69.87837	1.3
69.99659	0.3
70.97202	0.4
71.01247	4.4
72.99189	0.5
73.02821	1.3
78.14249	0.5
78.95765	0.4
81.94451	0.4
83.01231	0.5
83.04867	0.4
85.02817	1.8
87.00753	1.2
89.02318	3.0
95.04869	0.5
97.06469	1.2
98.19820	0.5
98.20403	0.8
101.02332	3.2
113.02344	1.9
119.03379	0.6
125.09603	1.0
127.11168	2.0
132.58858	0.3
151.11201	4.1
152.11565	0.4
161.04469	1.1
165.01822	0.4
169.12251	36.9
170.12584	2.4
171.10175	84.8
172.10490	3.3
185.11694	0.5
187.13397	0.5
195.13867	2.8
197.11757	1.1
198.12053	0.4
199.09752	0.4
201.11166	0.6
209.11729	0.9
211.13324	0.9
213.11229	4.8
223.13306	1.7
231.12273	3.5
235.08012	2.0
253.09232	6.1
275.20108	2.5
291.19617	0.5
293.21219	16.1
294.21484	1.2
309.20801	0.8
310.20898	0.5
407.19116	1.4
449.20242	1.6
467.21112	1.9
519.04474	0.4
720.98376	0.4
725.41150	4.2
726.40991	0.4
743.42181	100.0
744.42517	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.9
57.01031	0.4
57.03327	1.0
59.01249	100.0
59.57075	0.4
60.01584	1.0
68.02407	39.4
69.40031	3.8
71.01248	9.7
72.99202	0.5
73.02827	3.6
73.13321	0.4
83.01276	2.0
84.20731	0.4
85.02819	5.1
89.02319	0.5
93.03353	1.1
95.01263	0.8
98.20644	0.5
99.00761	2.0
101.02322	7.2
113.02316	5.1
113.02934	0.5
121.02837	2.2
127.05013	1.1
129.47678	0.4
138.01868	2.0
141.98161	0.8
159.02907	0.7
161.04486	3.6
224.02280	23.3
225.02667	0.9
265.11972	0.7
269.10269	9.8
270.10635	1.2
308.73294	0.4
311.11328	4.9
374.10367	0.4
383.56851	0.5
385.14005	2.3
386.14618	1.3
577.09094	0.5
679.19305	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.8
59.01248	35.5
69.03322	1.1
69.50851	5.0
70.23735	0.6
70.34003	0.6
71.01254	12.9
72.99135	0.7
73.02814	11.7
75.17241	0.5
80.04927	0.8
80.90182	0.6
83.01249	4.0
85.02821	2.9
89.02300	2.3
94.06503	1.4
95.01287	0.7
96.95889	1.4
101.01691	1.0
101.02324	13.8
101.02982	0.7
104.04938	5.4
107.03638	2.8
108.04430	9.0
113.02342	4.6
119.03387	1.0
122.06007	25.9
123.06330	0.9
124.07574	1.8
126.61300	0.6
131.03395	1.5
132.04445	59.5
133.04784	1.4
134.06001	3.7
139.02638	1.5
143.03372	1.8
144.59952	0.7
148.03934	4.6
149.04442	2.5
150.05507	2.3
152.07072	77.6
153.07372	2.4
155.03391	1.0
160.03934	1.0
161.04495	3.7
169.88599	0.6
176.03450	10.1
177.03763	0.8
188.03485	1.6
191.01756	1.2
208.06117	3.5
209.02916	1.7
269.12967	6.0
270.13309	1.0
273.12482	5.8
297.12442	41.0
298.12857	1.9
313.11887	6.3
341.11401	84.9
342.11719	6.5
347.18591	0.7
373.14020	100.0
374.14355	10.0
393.59473	0.8
479.90491	0.7
620.08044	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.5
55.19202	0.6
58.00462	0.6
58.32323	0.5
59.01246	5.1
59.89582	0.6
63.00063	0.5
63.16281	0.6
69.03349	0.6
70.06570	1.7
70.06979	1.2
71.01248	4.8
73.02832	1.3
78.95779	1.8
81.03325	1.2
82.80458	0.6
83.04903	3.1
84.02039	0.8
85.02834	1.6
85.76794	0.5
87.00732	0.9
89.02299	2.9
98.69093	0.5
101.02309	3.5
109.06504	0.7
111.25792	0.6
113.02320	1.9
119.03400	0.7
123.04524	0.5
125.09600	1.4
127.11124	1.2
143.03441	0.7
145.04976	0.8
152.99486	1.3
155.10718	0.7
161.04486	2.0
163.11226	2.2
165.09109	0.9
165.12781	1.6
171.10179	2.2
171.16624	0.6
172.10582	0.7
177.17671	0.6
179.05563	0.6
185.11838	0.6
201.11249	43.4
202.11664	1.8
209.11765	81.8
210.12102	4.4
225.11279	1.3
227.12842	9.1
228.13043	0.6
234.05461	0.5
235.08208	8.7
236.08563	0.5
253.09222	14.4
254.09674	1.2
277.21704	100.0
278.22037	11.0
349.68277	0.6
419.19418	1.1
437.20020	1.1
443.31549	1.1
445.20969	1.0
513.30927	0.7
741.42853	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07281	1.1
57.03333	1.6
59.01249	1.8
70.19640	3.9
78.95778	100.0
85.02798	2.0
96.96844	9.0
97.06469	3.1
123.08008	2.4
125.09610	23.8
152.84502	1.2
152.98314	2.5
152.99501	40.8
160.28656	1.2
171.10161	3.5
183.13815	4.3
187.09695	18.4
188.10045	1.8
211.13406	1.4
222.99973	2.0
241.01131	9.7
255.23312	8.5
277.21695	24.0
278.21988	2.2
279.23151	5.2
289.17993	2.7
293.21103	1.7
307.35364	1.3
327.21698	4.3
413.20898	7.5
415.22519	1.6
431.22034	4.3
461.18887	1.5
463.20688	7.3
741.42639	32.7
742.41602	5.7
770.79797	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10335	2.4
59.01248	23.6
71.01254	20.4
71.57923	3.8
78.95779	100.0
83.01279	4.0
85.02837	4.1
87.00753	4.5
87.38638	3.2
89.02328	18.2
96.96850	8.5
97.02834	4.0
97.06470	3.5
97.81181	2.8
101.02341	12.2
106.33210	2.7
113.02351	6.1
119.03371	5.8
125.02363	6.5
125.09558	5.6
131.12419	2.6
150.56607	2.6
152.99510	54.7
153.99957	3.6
171.10231	6.4
187.09782	7.3
207.68288	2.6
235.08253	5.7
241.01105	4.1
255.23250	4.0
277.21808	13.2
279.22998	3.0
283.26428	45.5
284.26651	3.1
293.21078	6.9
295.22845	6.3
296.22925	3.0
311.04611	2.9
327.21817	5.2
386.86133	3.1
397.13550	58.9
415.14374	17.8
429.20422	5.4
430.20450	3.3
431.21997	4.3
447.21469	8.4
463.20947	15.1
465.22470	3.0
741.43390	37.4
742.43591	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	741.4347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	3.2
61.98708	3.2
64.20570	1.5
67.93268	1.4
70.61940	3.1
70.62307	3.2
71.01241	1.9
78.95776	100.0
85.02831	2.1
96.96838	10.9
97.06469	2.7
125.09599	6.5
130.71660	1.5
131.28246	1.7
152.98322	3.1
152.99495	54.3
171.00461	1.7
171.10185	7.1
183.13817	3.9
187.09659	5.0
211.13365	2.6
236.24371	1.8
255.23308	3.4
256.94333	2.1
261.84894	1.6
277.21683	19.7
279.23325	3.3
289.18262	1.7
295.22876	2.8
327.21844	11.9
389.17194	1.8
413.20920	6.8
415.22263	2.2
431.21936	4.1
447.21613	2.0
463.20987	16.6
464.21194	2.4
481.21967	3.1
723.40985	2.6
741.43713	48.9
742.44098	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	741.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	3.7
58.00450	0.7
59.01251	11.5
61.98694	0.8
69.03319	1.2
71.01246	6.4
73.02806	2.0
75.00742	1.6
78.95744	1.6
83.01205	0.9
83.04882	1.1
85.02806	2.1
86.58869	0.6
87.00740	0.9
89.02317	4.1
95.04858	0.9
96.95861	0.7
97.06464	1.4
98.19937	3.1
101.02327	5.1
107.26543	0.7
109.06460	1.0
111.00729	0.9
111.08005	2.2
113.02323	2.2
119.03368	1.1
119.55908	0.6
121.02824	1.1
123.07985	0.8
125.09597	4.1
139.11166	2.8
141.09303	0.8
141.12741	1.8
143.03322	0.9
149.09555	0.8
151.11200	3.7
155.10619	1.2
161.04424	1.7
167.10646	3.5
169.12244	10.6
171.10190	4.9
179.14281	0.7
181.12274	0.8
183.13704	0.8
185.11749	86.7
186.12129	3.6
195.10019	1.0
195.13838	4.6
197.11745	5.5
199.09595	0.8
199.13231	1.6
200.13477	0.7
201.11282	1.6
209.11771	11.2
210.12056	1.9
211.09695	1.5
211.13318	3.5
213.11235	3.9
223.13301	2.6
227.12854	3.5
228.13251	1.7
229.10707	2.0
235.08087	2.0
253.09248	6.9
275.20078	1.8
276.20288	0.9
277.21634	1.8
291.19650	2.3
293.21234	18.0
294.21393	3.1
295.22763	7.0
309.20822	3.6
311.22281	0.8
447.18484	1.2
449.20041	0.8
465.19638	1.9
481.38867	0.9
492.14600	0.8
505.25894	0.9
741.40637	100.0
742.40930	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	741.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.7
57.03314	3.3
58.00465	1.0
59.01252	15.3
61.98704	1.9
69.03318	1.8
69.69988	0.7
70.75759	0.7
71.01254	7.3
71.57196	1.4
72.99194	1.4
73.02817	2.2
77.48808	0.7
78.48052	0.7
81.03316	1.2
83.04900	2.2
85.02810	3.0
87.00759	1.6
89.02312	3.0
95.01243	0.8
95.04891	1.4
96.95873	1.1
97.02832	2.3
97.06465	6.9
101.02316	5.9
111.08036	2.9
113.02329	3.0
125.09589	1.3
149.09657	0.8
151.11189	15.5
152.11504	1.0
152.99391	0.9
153.09076	0.8
161.04407	1.8
163.11189	1.4
165.12775	1.6
167.10594	0.9
169.12256	73.9
170.12561	3.7
171.10178	4.5
185.11765	5.3
195.10190	2.9
195.13701	1.3
197.11755	18.9
199.13397	3.7
200.13733	1.0
209.11774	8.8
210.12137	1.0
211.13329	4.4
212.13762	1.1
213.11288	12.2
227.12854	6.2
228.13176	2.8
235.08211	1.2
253.09229	7.9
277.21661	1.9
289.69733	0.7
291.19586	7.0
293.21243	3.2
294.21628	3.1
295.22699	5.2
309.20700	12.0
310.20929	1.2
327.21716	1.5
425.10806	0.9
431.18970	2.3
449.20108	4.3
520.49268	0.9
585.98877	0.8
741.40643	100.0
742.41016	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	741.3373
Annotation	Disorazole B1
Peak:m/z	Relative Intensity
59.01234	3.2
61.98690	1.6
63.96090	2.1
69.55717	6.3
71.01253	10.9
72.99178	1.3
73.02798	1.5
75.00730	2.0
78.95781	1.3
78.98454	6.6
79.95605	14.8
80.96391	80.9
81.03317	1.0
83.01199	0.9
85.02825	5.3
87.00738	3.0
89.02303	1.6
93.03326	1.3
94.97959	20.7
96.95889	29.1
97.02805	2.5
97.03404	0.7
98.20467	1.5
98.95454	1.6
101.02319	4.0
106.97964	3.8
111.00735	1.2
115.00240	1.3
122.97449	3.6
125.02363	4.4
133.04950	1.8
134.03619	1.3
134.97495	5.8
135.04378	0.8
136.99016	1.8
137.02339	1.8
148.99037	6.5
149.02272	1.8
152.06967	0.8
152.98547	6.7
158.03574	0.8
163.00296	4.3
163.39253	0.7
164.98543	14.4
172.68192	0.8
176.01044	2.2
179.03436	0.8
191.01869	1.0
193.04993	1.1
206.99794	3.7
209.03052	1.0
211.03865	1.9
211.13383	1.1
213.05409	0.9
215.03334	2.1
225.00711	26.9
226.00682	0.8
227.03401	1.0
228.04153	1.1
229.14363	3.7
239.03502	1.2
240.04079	0.9
241.05019	2.4
255.02921	1.4
256.03735	1.9
257.04507	3.5
267.02963	3.7
270.01660	1.9
283.02481	11.0
284.03073	2.6
285.03986	3.0
295.02478	0.9
311.02008	3.7
312.02713	11.3
313.03531	19.4
314.03906	1.7
331.00174	0.8
333.07843	0.9
343.20920	1.9
390.07416	1.9
406.06943	7.1
407.07571	3.1
511.18909	5.8
559.10883	18.1
560.11243	3.1
653.14886	6.6
654.15088	2.6
741.33710	100.0
742.33881	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	741.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34086	0.8
58.00466	1.6
59.01248	34.7
69.48673	6.3
71.01250	26.1
72.99185	3.1
79.64138	0.7
83.01273	1.1
85.02811	4.4
89.02312	25.7
95.01272	1.2
101.02322	19.4
113.02330	9.5
113.35284	0.9
119.03383	11.2
133.04980	6.5
161.08072	1.5
179.05551	1.2
303.73779	0.8
323.13449	100.0
324.13788	5.9
474.88065	0.9
640.40417	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
60.09408	1.1
62.67108	1.2
69.87559	4.3
69.87969	3.3
72.20805	1.1
78.95779	2.2
80.96231	1.2
82.85153	1.5
93.03333	2.3
96.95905	1.3
119.04921	3.4
121.02839	2.6
129.15167	1.4
130.04152	2.5
131.04926	16.7
133.01320	1.9
135.04428	1.3
143.04887	3.0
145.06436	1.5
147.04437	1.3
150.91867	1.3
152.99477	1.7
160.05212	1.9
161.05878	1.2
223.07657	1.6
231.08008	4.1
233.09663	2.2
235.07777	1.8
242.07338	5.8
243.08133	22.7
244.08638	1.9
249.09094	3.1
250.09772	1.9
256.94662	1.3
260.08371	1.7
261.09222	14.4
267.10266	7.8
279.10284	31.2
280.10437	2.3
293.08163	1.5
297.11325	100.0
298.11722	7.7
316.29318	1.2
349.12012	1.8
365.11798	3.4
367.13489	3.2
377.11819	3.7
379.13675	2.2
383.12878	4.7
384.12881	1.6
391.13150	1.4
395.12799	7.2
407.12839	2.3
412.55038	1.3
413.13943	4.0
425.13809	3.6
427.15369	2.0
443.15186	1.7
575.21295	2.4
593.21899	2.3
597.20807	2.5
609.21167	2.1
615.21460	2.4
621.20935	1.9
625.61096	1.6
627.21564	3.8
633.21893	1.5
639.21704	3.4
645.22858	4.5
657.23035	3.9
663.24005	11.7
664.24774	2.2
675.23767	15.7
676.24384	1.9
681.24945	22.3
682.25031	4.3
687.23853	3.7
693.24976	48.1
694.25256	8.5
705.24866	27.3
706.25397	5.3
711.14288	2.6
711.26056	42.3
712.26294	6.9
723.26123	12.7
724.26044	4.4
741.26770	10.2
742.27325	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	741.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
69.64107	2.0
70.06521	2.5
71.35101	4.5
78.95779	5.7
86.89675	2.3
92.31499	2.4
93.03337	10.2
96.95882	5.1
103.71763	2.2
114.27270	2.3
119.04885	8.4
121.01957	4.8
121.02844	100.0
122.03114	3.1
130.04143	5.4
131.04939	20.0
133.06456	3.0
134.03606	2.4
135.04427	6.2
143.04945	6.4
145.06447	7.8
147.04393	12.0
149.05948	3.0
151.25845	2.4
158.57750	2.3
159.04326	2.8
160.05244	4.9
165.05496	7.2
167.73367	2.1
173.05956	3.9
191.07158	2.4
231.08182	4.0
233.06041	2.4
233.09616	3.3
241.59790	2.7
242.07393	5.4
243.08052	16.8
247.07588	3.6
249.09143	4.4
253.08702	3.5
259.07413	2.8
261.09171	18.5
262.91153	2.2
265.08646	3.2
267.10162	7.4
279.10211	29.9
280.10770	3.8
295.09689	5.0
297.11325	93.5
334.20343	2.7
365.12042	3.1
371.12817	2.8
383.12997	7.3
443.15164	13.5
445.16589	3.0
497.17572	6.6
499.15240	3.9
515.18414	3.5
527.18573	7.0
533.19788	7.3
545.19696	13.8
557.19727	7.5
563.20520	6.6
575.20923	13.3
593.22107	6.7
597.21265	2.8
603.21735	5.7
615.21594	6.4
633.22614	5.4
645.22516	7.9
649.23169	2.6
657.23480	3.8
663.23999	19.8
663.40399	2.6
675.23822	23.4
676.24701	3.1
681.25262	12.6
687.23956	4.9
693.24719	35.8
694.24884	9.2
705.25000	31.9
706.25336	4.4
711.26001	59.5
712.26422	12.8
723.25940	52.0
724.26331	12.5
741.26941	45.6
742.27197	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	741.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	3.8
61.98702	1.3
63.07890	0.3
71.01260	1.0
75.00740	1.5
77.03835	2.2
78.95781	0.6
83.04898	1.3
85.02827	0.6
85.96557	0.3
87.88738	0.3
89.02326	1.0
93.03315	0.7
95.04902	0.4
96.95914	0.8
97.02826	0.4
101.02337	1.3
111.06491	0.3
113.02347	0.6
121.02844	100.0
122.03156	2.6
125.09631	0.5
135.07990	0.3
137.02271	0.3
141.01602	0.5
163.11229	0.7
164.11528	0.4
164.44481	0.3
165.01846	75.2
165.12752	0.7
166.02159	2.6
167.10590	0.4
169.12247	0.7
171.10164	1.0
172.10559	0.3
180.05653	0.5
181.06531	2.5
183.13850	0.6
185.11710	1.2
191.03409	1.4
195.13846	0.4
197.11745	1.0
198.12015	0.4
199.13319	1.0
200.13666	0.5
209.11768	18.1
210.05608	0.3
210.12108	8.0
211.13426	4.1
212.13554	1.5
213.11215	1.0
223.13374	0.5
225.05420	1.6
227.12872	3.6
228.13150	1.4
235.08215	0.9
235.16946	0.6
253.09232	3.1
254.09624	0.9
275.20319	1.6
276.20523	1.4
277.21625	1.2
291.19705	0.7
292.20120	0.5
293.21231	6.5
294.21570	5.8
295.22058	1.0
297.15283	0.6
309.20639	2.1
310.21115	0.8
313.07135	1.7
357.06161	10.7
358.06213	0.6
504.33945	0.6
522.34845	0.4
549.10577	0.4
618.81329	0.3
740.41864	2.0
741.14618	5.0
741.40509	1.7
742.14734	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.1
60.01582	0.2
61.01676	0.3
61.98701	100.0
70.52657	0.3
71.01263	0.3
75.00740	0.2
75.39149	0.2
81.03327	0.5
82.96542	0.1
83.04906	1.3
84.05235	0.5
89.02335	0.2
100.96766	0.1
101.02321	0.2
105.06061	0.1
133.04993	0.3
160.01651	0.2
175.03947	0.3
212.83205	0.1
225.15971	0.7
226.16403	0.5
227.16623	0.2
452.33359	0.4
453.33469	0.3
454.34851	0.2
471.14999	0.2
598.53851	0.2
677.50403	0.3
678.50073	1.2
679.50293	5.3
680.50543	8.4
681.51044	0.4
740.49359	1.2
741.36090	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09990	0.3
59.01251	1.6
61.98704	100.0
71.01265	1.5
78.95793	0.6
89.02323	1.6
101.02350	0.9
102.02687	0.3
103.99048	0.3
113.02367	0.5
117.10568	0.3
125.02322	0.3
142.44434	0.2
152.99516	0.4
179.05647	0.3
185.73874	0.3
235.08116	0.4
236.08524	0.3
279.23331	1.7
280.23578	2.2
281.24026	1.0
282.24374	0.6
397.13596	1.1
398.13916	1.6
399.13925	2.4
400.14297	1.7
405.78506	0.3
416.15054	0.5
417.15039	0.7
418.15567	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.1
57.71987	0.6
58.00466	0.8
59.01247	9.4
59.32688	0.7
60.54909	0.6
61.98685	3.0
65.28497	0.5
66.37137	0.6
69.60050	5.0
71.01257	10.4
71.04887	2.7
73.02797	1.5
78.95779	10.5
83.01237	1.2
83.04877	0.9
85.02789	1.4
87.00757	1.5
88.48970	0.7
89.02319	4.4
95.04907	0.9
97.02819	4.6
97.06446	2.0
98.19790	1.3
99.00758	13.6
101.02323	6.8
109.06454	1.8
110.03601	1.2
110.70827	0.6
111.85697	0.7
113.02314	3.0
116.34663	0.7
119.03370	1.1
119.31876	0.7
123.08051	1.1
125.09618	6.1
127.11163	1.6
135.08067	1.1
142.02631	1.0
145.10179	0.9
149.09674	0.7
152.99495	6.1
161.04521	1.3
161.09627	0.7
163.09953	1.1
163.11194	9.8
171.10196	12.7
179.10663	1.4
181.10779	1.4
181.12274	18.6
182.12558	1.6
189.09187	0.9
197.11786	4.4
199.13336	24.2
200.13620	1.0
201.11264	3.2
207.10208	36.8
208.10509	2.4
209.11729	2.1
211.13324	1.3
225.11275	75.0
226.11603	3.2
235.08101	3.5
243.12344	16.1
244.12799	0.6
253.09305	8.4
275.20132	1.3
277.21716	63.8
278.22043	5.8
293.21161	3.7
294.21457	1.0
309.20627	1.3
311.21753	0.7
384.49127	0.6
429.20560	1.4
443.19131	1.5
445.20233	3.3
447.20929	0.7
454.26178	0.7
456.74786	0.8
461.20279	10.1
463.20862	1.0
479.21445	2.6
577.37372	0.9
721.41748	5.6
723.54974	0.8
739.42645	100.0
740.42944	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.6
59.01252	6.0
61.98705	4.8
70.10631	1.2
70.10998	0.2
71.01250	3.8
72.99167	0.3
73.02811	0.4
75.55268	0.2
78.95790	0.3
80.02548	1.1
81.03331	1.2
83.01250	0.5
83.04900	4.2
84.02047	0.6
85.02826	1.1
87.00759	0.7
89.02312	2.6
93.03378	0.4
93.05112	0.2
95.01278	0.5
95.04903	0.6
101.02316	3.8
106.39016	0.2
109.06478	0.4
111.07984	0.5
112.13108	0.3
112.50835	0.2
113.02338	1.7
119.03445	0.7
121.10139	0.3
122.28284	0.3
135.07988	0.6
145.05013	0.4
161.04480	1.2
163.11209	3.4
165.12769	2.0
169.12347	0.3
171.10164	1.5
179.05560	0.4
179.14368	0.5
181.12263	0.6
183.13823	0.8
185.11754	1.0
191.10655	1.3
195.12059	0.3
195.13846	4.9
197.10216	0.3
197.11742	1.7
199.13370	2.4
200.13626	0.3
203.23161	0.2
205.12360	0.4
209.11771	100.0
210.12119	5.2
211.13327	9.3
212.13805	0.5
223.13327	2.9
227.12839	12.1
227.15102	0.6
228.13295	1.1
235.08191	2.6
253.09258	15.1
254.09723	0.6
256.13031	0.6
265.21814	0.3
275.20139	5.2
276.20456	0.5
291.19745	1.6
293.21222	56.9
294.21536	4.7
309.20706	3.7
310.20953	0.4
405.22455	0.3
445.20758	1.2
463.22217	0.4
474.24292	0.3
485.32840	0.4
529.30164	0.3
739.42145	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21336	1.0
59.01249	12.4
61.98708	5.0
66.13541	0.9
71.01251	11.0
71.57459	1.0
72.96979	0.9
72.99154	1.1
73.02830	2.8
78.95306	1.3
78.95773	23.3
80.44351	1.0
83.04893	1.3
85.02815	2.4
87.00714	1.1
89.02316	3.3
95.04893	2.0
96.96866	2.2
97.02849	2.2
97.06444	1.2
98.09039	0.8
99.00759	2.8
101.02328	5.1
109.06456	3.7
113.02316	2.9
125.09592	3.4
127.11147	1.6
152.99477	13.3
156.89822	1.0
161.04414	2.7
163.11218	4.2
171.10184	70.4
172.10533	2.1
179.10663	2.3
181.12282	3.0
189.09067	1.0
195.13710	1.0
197.11772	11.2
198.12091	3.2
199.09651	2.5
199.13350	18.0
201.11214	6.9
205.08563	1.0
207.10188	14.6
209.09723	1.1
209.11765	3.8
211.13246	3.0
215.12825	2.4
225.11266	39.2
226.11725	1.8
235.08182	5.3
236.08487	1.0
243.12352	5.0
253.09261	11.5
275.20059	1.7
277.21716	100.0
278.22031	12.1
279.22720	1.7
293.21198	7.8
295.22855	4.8
309.20633	2.1
312.52304	0.9
404.73837	1.1
407.19101	2.0
429.20398	4.2
443.19357	2.4
445.20313	4.8
447.21594	1.8
461.20135	7.5
463.20743	1.2
474.52328	1.0
682.76874	1.1
708.02588	1.1
721.41846	5.1
738.41687	2.1
739.41949	39.2
740.42578	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	739.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	0.3
57.03322	0.6
58.00444	0.4
59.01250	7.1
69.03314	0.4
70.47960	0.7
71.00887	0.4
71.01257	4.6
71.04880	0.5
73.02808	1.1
75.00780	0.3
78.95781	0.5
80.02557	1.1
81.03334	1.0
83.01254	0.8
83.04900	4.3
84.02045	1.0
85.02827	1.4
87.00754	0.9
89.02313	2.9
93.06927	0.3
95.01266	0.3
95.04905	0.5
96.95880	0.3
97.02826	0.8
97.06458	0.4
99.00769	0.5
101.02320	3.6
109.06470	0.7
111.08013	1.2
113.02322	2.4
119.03388	0.7
119.10446	0.2
125.02338	0.2
125.06001	0.3
125.09621	0.8
133.04903	0.3
135.08041	0.6
137.09624	0.4
143.03441	0.5
145.04951	0.5
149.09497	0.3
152.99590	0.3
158.51143	0.2
161.04430	1.8
163.11201	3.9
165.12770	2.4
167.10713	0.4
169.12259	0.4
171.10197	2.8
171.79601	0.3
177.12666	0.3
179.05518	0.4
179.14333	0.7
181.12260	1.2
183.13864	2.0
185.11768	0.7
191.10686	1.0
193.12271	0.4
195.13837	5.9
196.14497	0.4
197.11771	2.7
199.13350	2.2
202.33678	0.3
205.12338	0.5
205.15904	0.3
207.10190	0.9
208.10672	0.4
209.11769	100.0
210.12109	5.2
211.13344	17.2
211.15405	0.5
212.13695	1.0
213.11278	0.6
223.13356	4.8
224.13785	0.3
225.11305	1.1
226.11478	0.4
227.12833	17.5
228.13275	1.4
231.21094	0.6
235.08212	3.5
253.09270	18.0
254.09700	0.6
256.13181	0.8
275.20139	7.6
276.20514	0.5
289.18039	0.6
291.19641	3.2
293.21222	76.9
294.18259	0.4
294.21533	5.9
307.18964	0.3
309.20703	7.2
310.20978	0.7
317.17587	0.4
445.20590	0.9
447.22717	0.7
463.21796	1.9
485.32809	0.7
503.33905	0.8
529.30103	0.6
545.62762	0.3
670.36163	0.4
721.40894	0.3
739.42657	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	739.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.8
57.03325	0.8
59.01248	9.9
69.03323	1.3
71.01247	7.7
71.03152	1.2
71.04887	3.0
73.02823	2.2
78.95773	8.3
83.01275	1.3
83.04861	0.8
85.02842	1.8
87.00745	2.5
89.02290	2.7
95.01231	0.7
95.04913	1.1
96.96822	0.9
97.02812	3.6
97.06478	2.4
99.00755	11.8
101.02325	4.2
109.06518	1.3
110.03656	0.7
113.02321	2.7
119.03413	0.9
123.08024	1.4
125.09628	7.2
127.11197	0.9
130.72433	0.6
135.08086	1.0
142.02612	1.4
145.04985	0.8
152.99509	5.3
153.09105	0.6
155.14253	0.6
161.04482	2.3
161.09627	0.6
163.11189	8.2
171.10172	9.7
179.10701	1.1
181.10767	1.1
181.12265	11.9
181.31998	0.6
183.10153	0.6
189.09004	0.7
197.11774	2.3
199.13335	11.0
201.11249	2.6
207.10205	27.6
208.10573	1.2
209.11839	1.6
211.13266	1.0
223.13448	0.8
225.11272	45.7
226.11658	1.6
227.12914	0.7
235.08182	2.8
243.12318	8.5
253.09256	5.8
260.11972	0.6
275.20148	0.7
277.21704	82.9
278.22043	6.1
293.21219	3.4
294.27274	0.6
309.20621	0.9
429.20386	1.8
431.21558	0.6
443.19156	2.0
445.19888	2.4
461.20111	5.1
479.21405	1.6
508.89966	0.6
530.36420	0.6
721.41260	5.9
722.42926	1.1
739.42633	100.0
740.43073	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	739.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	32.7
69.93936	8.4
71.01250	26.8
72.99173	2.8
73.02831	5.4
78.95780	20.5
83.01253	2.7
85.02824	7.0
85.98206	2.2
87.00748	6.2
89.02317	24.8
97.02818	5.0
101.02330	22.1
113.02342	10.9
115.03935	2.6
119.03397	8.3
119.20924	2.0
125.02295	9.9
127.01561	1.9
143.03374	3.7
152.99454	11.0
161.04431	4.7
179.05495	5.0
180.92679	2.4
235.08177	10.7
253.09288	2.5
277.21597	2.5
281.24860	86.1
282.25214	6.9
287.07892	3.0
293.21246	3.2
305.08615	3.2
397.13504	100.0
398.13953	5.5
415.14548	34.6
429.20062	2.5
461.34314	2.3
485.40634	2.2
739.41919	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	739.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	4.8
57.03315	2.8
59.01250	78.3
61.98690	5.5
69.03308	1.9
69.81154	5.1
71.01252	49.3
72.99166	3.5
73.02820	11.9
78.95761	1.4
80.96401	1.5
83.01248	6.1
85.02824	24.1
85.99998	1.2
87.00755	3.8
89.02323	10.4
91.77483	1.2
93.03351	1.3
95.01260	5.2
96.95884	9.5
97.02823	2.5
98.19716	1.3
98.20284	2.9
99.00756	5.1
101.02317	28.6
111.00757	3.7
112.01543	1.9
113.02334	18.3
118.37814	1.2
119.03392	2.9
124.01608	1.4
125.02325	5.2
129.01866	1.3
143.03415	3.6
152.07109	1.5
161.04446	4.7
168.89937	1.5
171.10149	2.8
209.11777	3.0
223.13347	1.9
283.26315	1.5
313.13846	1.8
329.30533	1.5
330.53967	1.2
450.73224	1.3
473.34961	3.6
491.35925	7.9
635.40076	100.0
636.40247	16.6
653.41162	69.9
654.41394	13.8
695.42365	25.7
696.42487	4.0
739.33997	3.4
767.00873	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	3.7
57.03321	4.0
58.00460	1.7
59.01251	71.8
60.01593	0.9
61.98706	0.9
64.37665	0.7
69.03320	1.5
70.27125	1.5
70.27515	2.1
71.01254	39.1
72.99176	2.8
73.02819	12.6
75.00726	0.9
76.01193	0.7
79.95624	1.1
80.96397	1.5
81.03313	1.0
83.01251	9.3
85.02823	24.1
85.99986	1.1
87.00768	4.7
89.02310	9.1
95.01250	6.2
96.95890	3.1
97.02823	3.4
99.00760	6.3
101.02322	34.1
102.02668	1.2
111.00758	4.2
112.01498	1.5
113.01611	1.7
113.02334	21.9
115.03948	0.9
119.03388	2.8
124.01546	2.5
125.02332	6.1
129.01787	1.6
137.31224	0.8
143.03462	4.0
159.02867	2.8
161.04414	4.0
164.08293	1.0
171.10245	1.3
191.01718	0.9
211.13322	1.0
223.13402	1.5
241.54842	0.8
281.24896	1.6
283.26361	2.6
329.30637	3.6
473.34769	3.6
491.35843	13.3
492.36560	2.0
577.24457	1.1
587.38226	1.1
599.38214	1.2
635.40112	100.0
636.40601	14.3
653.41180	76.6
653.52557	2.2
654.41486	9.9
695.42175	25.9
696.42535	3.0
739.29767	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84001	0.5
55.01763	0.8
57.03315	0.6
58.00463	1.7
59.01251	34.3
62.48397	0.5
69.65683	1.1
69.66091	2.0
71.01255	22.1
71.04908	0.9
72.99187	3.2
73.02834	0.8
83.01263	1.0
83.04800	0.6
85.02821	4.6
87.00764	1.6
89.02319	19.6
93.03337	0.5
95.01279	1.9
96.95909	1.0
101.02322	12.2
105.14413	0.5
113.02335	8.8
115.03893	1.6
117.03347	1.3
119.03398	7.7
123.04409	1.9
132.02063	19.8
133.02933	0.6
134.03638	12.1
143.03438	1.0
147.04439	0.7
149.04495	0.8
149.06039	1.1
152.07088	0.8
153.79369	0.5
160.01572	83.6
161.02136	5.1
161.04465	1.2
175.03928	100.0
175.73404	0.5
176.04352	4.9
178.02623	0.7
179.05571	1.8
191.01970	0.7
191.07065	0.6
193.04997	10.6
196.05925	0.5
203.07098	1.3
204.07800	0.6
219.10208	11.6
220.10568	1.4
230.06050	0.6
232.07355	2.3
235.06090	0.8
247.09734	39.2
248.10034	2.4
258.05310	1.4
273.07721	2.7
277.09286	2.7
291.08740	7.2
294.70920	0.5
295.10342	31.0
296.10745	1.6
325.52032	0.5
328.10785	0.6
342.13138	0.5
427.16003	0.9
432.17502	0.5
439.15985	0.6
447.12921	1.1
453.14017	4.7
463.11554	0.7
471.15060	72.4
472.15399	8.3
559.18164	17.3
560.18677	2.8
732.76605	0.6
739.24512	22.9
740.25104	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	739.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59102	0.4
54.99557	0.4
56.07456	0.3
57.03305	0.8
58.00462	1.0
59.01249	100.0
60.01595	0.6
69.03332	1.4
71.01250	35.5
71.04315	0.8
72.01595	0.4
72.99184	1.7
73.02818	42.2
74.03160	0.6
75.00738	0.7
81.03313	0.7
83.01260	13.2
85.02829	4.4
87.00751	1.0
89.02315	7.4
89.02824	0.7
95.01255	1.3
96.95900	1.3
97.02843	1.1
99.00755	0.7
101.02321	36.6
102.02689	0.6
109.34207	0.4
111.00747	0.6
113.02325	14.0
114.02720	0.5
117.01842	0.5
119.03385	4.2
125.02349	1.8
131.03395	3.7
132.09360	0.4
137.09666	0.5
143.03397	3.1
144.26878	0.4
148.55363	0.4
149.04442	6.7
149.59641	0.4
155.03418	1.5
161.04469	11.0
171.80829	0.4
203.05582	1.4
216.72261	0.5
221.06528	3.7
239.12976	0.7
265.02536	0.4
431.10269	0.4
537.86566	0.5
707.25781	0.7
739.27448	0.6
764.99506	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2092
Annotation	Kaempferol 3-isorhamninoside
Peak:m/z	Relative Intensity
52.75269	0.2
59.01237	0.8
60.72680	0.3
62.89871	0.2
63.02280	0.8
65.00198	1.0
71.07033	0.6
78.24659	0.2
79.24659	0.2
82.88823	0.2
83.01267	0.7
85.02821	0.5
86.94002	0.2
93.03330	0.5
96.95882	2.2
101.02300	0.3
107.01260	2.8
112.00544	0.2
117.03381	0.3
117.16505	0.3
132.02048	1.9
135.00743	1.5
151.00262	3.6
152.00983	0.4
158.03616	0.3
159.04370	0.3
163.00336	1.1
164.01054	0.9
167.04898	0.7
169.01328	1.0
175.03889	0.3
178.99780	2.0
183.04500	1.7
185.02371	0.5
185.06020	0.6
187.03938	0.7
199.03929	0.5
200.04681	0.7
200.53635	0.2
201.05467	0.2
211.03937	2.4
212.04550	0.4
213.01886	0.4
213.05548	0.6
227.03444	52.0
228.03831	3.4
229.04987	2.0
239.03409	1.2
240.04146	0.3
241.05019	0.4
255.02959	96.5
256.03473	9.5
257.04507	2.2
268.03342	0.3
278.62720	0.3
281.04523	0.3
283.02472	3.0
284.03247	100.0
285.03885	16.9
286.04355	0.7
309.04105	0.7
327.05148	1.0
575.14093	1.0
593.15082	0.4
739.20911	65.2
740.21240	10.3
740.34613	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95282	0.4
54.30996	0.3
59.01248	1.2
61.98703	100.0
62.98429	0.6
71.01263	0.8
82.11177	0.3
89.02315	0.6
99.00084	0.4
101.02306	0.5
122.94880	0.3
125.02378	0.5
208.26064	0.4
210.25319	0.4
230.17894	0.4
277.21692	0.6
278.22113	1.1
279.22397	0.5
313.94809	0.4
397.13501	0.7
399.14157	1.3
400.14145	0.5
463.99805	0.4
466.68344	0.4
493.46320	0.4
545.24890	0.5
576.17200	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	8.1
64.26899	0.6
65.00197	0.8
69.37817	1.5
69.38223	4.2
76.85612	0.6
89.16782	0.6
96.95910	1.0
98.20490	1.0
134.00058	0.8
165.01797	4.5
175.08357	0.7
183.75677	0.6
209.02979	0.6
215.03419	0.6
224.62430	0.6
226.02672	1.3
227.03299	0.7
232.33618	0.6
241.01245	1.3
242.02162	5.0
243.02953	6.4
245.88493	0.6
254.02206	2.4
256.03766	6.5
257.04538	5.2
258.05264	1.4
263.02353	0.7
269.04654	3.4
270.01727	5.9
271.02469	15.4
272.02942	0.8
284.03247	4.2
285.04059	9.0
286.04770	2.6
298.01221	1.8
299.01962	19.2
299.05600	9.3
300.02295	1.5
300.06036	0.8
301.07156	1.4
313.03549	29.4
314.04300	29.5
315.04663	1.6
325.07190	1.6
327.05008	8.2
328.05862	21.0
328.09714	1.2
329.06656	100.0
330.07010	6.8
371.07599	1.7
475.08624	2.7
490.10880	3.3
491.12122	2.2
533.13007	46.0
534.13513	3.9
673.96729	1.0
695.18243	13.5
696.18683	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	738.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02540	0.3
59.01252	0.9
61.98703	100.0
62.98405	0.3
64.69182	0.2
71.01263	0.9
78.94723	0.3
78.95776	0.5
87.09763	0.2
89.02305	0.5
98.19759	0.6
101.02342	0.6
103.02781	0.3
198.50600	0.3
214.73792	0.3
223.16415	0.2
230.15215	0.3
253.69669	0.3
271.57712	0.3
277.21692	0.3
278.22153	0.7
398.13898	0.7
399.14194	0.9
400.14462	0.4
633.74579	0.3
707.33380	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86777	1.0
57.03330	1.6
59.01252	10.3
61.98710	1.4
69.03323	1.3
71.01245	8.0
71.03001	2.5
73.02815	1.7
75.00697	1.2
78.95782	1.5
79.95609	1.2
83.01267	2.3
83.04895	2.0
85.02814	3.0
87.00716	1.4
89.02316	3.1
90.63339	1.0
95.04874	1.7
96.95905	1.7
97.02822	8.5
97.06436	1.4
99.00755	11.2
101.02328	7.3
109.06448	6.6
111.07984	1.8
113.02318	3.2
116.49165	1.0
123.08004	1.3
125.02366	1.3
125.09595	6.4
135.08046	1.6
135.49954	1.2
142.02632	4.2
150.32443	1.2
161.04498	1.1
163.11195	11.4
165.12781	1.2
171.10170	4.2
179.05554	1.3
179.10722	1.6
181.12265	17.3
186.69203	1.2
195.13843	4.9
199.13313	3.6
207.10199	56.8
208.10529	3.5
209.11777	29.9
210.12155	1.5
211.13382	4.9
223.13376	4.2
225.11273	100.0
226.11627	5.9
227.12747	5.5
235.08153	4.4
240.58382	1.2
243.12341	18.9
253.09261	12.5
275.20224	6.2
277.21918	1.2
279.23050	1.4
291.19693	23.9
292.20059	2.4
293.21225	64.5
294.21619	4.3
311.16669	1.5
402.33957	1.2
443.13507	2.0
443.19135	2.5
461.20303	38.6
462.20349	4.1
501.31787	1.9
503.08511	1.3
719.39685	1.3
737.41138	36.7
738.42230	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	737.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.5
57.03315	0.9
59.01254	6.5
61.98700	2.6
69.03328	4.9
71.01254	4.8
71.04893	1.9
71.57688	0.4
71.58073	0.4
72.99185	0.6
73.02826	1.3
78.95772	2.3
81.03329	0.5
83.01239	0.8
83.04904	0.5
85.02818	1.6
87.00747	0.9
89.02310	2.2
95.01230	0.9
96.96815	0.4
97.02819	1.0
97.06470	1.1
99.00758	0.5
99.11169	0.4
101.02319	4.1
109.06496	0.7
111.04351	0.6
113.02302	2.0
115.03894	0.3
123.08047	1.2
125.09580	1.8
143.03381	0.5
149.09593	0.5
151.11180	3.5
152.55887	0.5
152.99461	0.9
153.12791	1.2
161.04405	0.5
161.09619	3.7
169.12280	0.7
171.10194	0.6
179.10681	8.2
182.20261	0.4
197.11760	43.4
198.12080	1.9
207.10162	1.1
223.09726	1.5
225.11307	0.6
235.08156	0.9
241.10783	1.8
253.09254	3.2
255.23187	0.4
258.23465	0.4
259.20660	0.6
277.21710	57.2
278.22083	4.1
291.19937	0.6
293.21234	1.7
445.19989	0.5
459.18802	1.2
477.19821	1.5
578.00879	0.5
737.41138	100.0
738.41449	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	737.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.7
57.03326	1.0
59.01250	8.0
61.98703	1.4
64.63582	0.6
66.24755	0.6
69.03329	4.3
71.01254	5.1
71.04903	2.0
73.02791	1.3
78.95783	2.1
83.01257	1.2
85.02810	1.4
89.02327	2.9
97.06506	0.9
98.20487	1.2
99.00708	0.7
101.02321	3.9
101.18652	0.5
104.90421	0.6
109.06474	0.8
111.04424	1.1
113.02332	1.3
123.08064	1.6
125.09589	1.7
149.16220	0.5
151.11176	1.9
152.99458	0.8
153.12756	1.8
161.04428	1.1
161.09615	3.0
169.12222	0.9
170.29950	0.6
171.10234	0.8
177.09195	0.8
179.10689	7.4
195.10199	1.3
197.11763	80.0
198.12132	4.3
205.08617	3.4
209.11896	0.7
223.09720	4.1
235.08199	0.8
241.10803	5.3
253.09242	4.8
277.21713	32.3
278.22079	3.0
293.21219	1.9
309.20956	0.9
311.75659	0.6
325.18405	2.6
459.18866	1.6
477.19727	2.7
719.39984	1.4
737.41144	100.0
738.41492	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	737.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	38.5
59.48990	2.5
68.26737	2.7
69.03333	2.8
69.46703	25.0
71.01254	32.6
73.02816	5.8
83.01254	3.0
85.02824	6.3
87.00755	5.9
89.02310	20.3
93.47065	2.7
95.01269	4.2
97.02833	9.4
98.19821	4.5
101.02319	17.5
112.87259	3.0
113.02329	12.3
119.03382	4.7
124.66477	2.6
125.02321	6.5
127.27796	2.8
138.02600	2.7
143.03445	4.9
161.04500	7.7
179.05614	4.2
190.68031	3.2
217.05159	2.7
235.08202	13.2
279.23285	90.4
280.23578	6.3
287.07559	3.8
299.61063	2.8
305.08978	5.0
359.28476	2.9
397.13513	100.0
398.13901	5.7
415.14499	32.0
474.86920	2.9
479.95218	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	737.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64143	0.3
55.01752	0.7
56.92757	0.3
56.95123	0.4
57.03323	0.5
57.14607	0.3
58.00452	0.4
59.01250	65.9
60.40237	0.4
68.85522	0.4
69.28329	1.8
69.28751	1.9
71.01254	5.7
72.99169	0.4
73.02818	1.8
83.01266	1.3
85.02824	4.1
89.02345	0.8
94.06506	1.2
95.01292	0.5
96.95879	4.0
98.20607	0.7
99.00758	1.6
101.02325	6.2
105.36061	0.3
107.03648	5.6
110.44151	0.3
113.02345	2.2
119.04942	0.9
120.04427	1.2
121.05250	0.5
122.06006	32.6
123.06367	1.0
124.07574	0.4
125.28249	0.4
125.53842	0.4
129.94980	0.3
130.02887	1.7
131.03656	3.9
132.04446	6.2
134.06001	1.3
139.02667	1.5
144.04436	0.4
146.06003	1.5
147.03157	0.9
148.03955	1.3
150.05470	0.5
152.07077	68.0
153.07454	2.3
154.34717	0.4
158.02367	7.2
159.02907	0.4
160.03958	1.1
161.04433	1.7
162.05502	4.0
163.03955	1.1
164.07106	1.1
166.05046	0.6
172.03943	0.4
175.02643	0.5
176.03426	1.7
190.05020	32.9
191.05391	0.9
192.06551	1.0
204.06535	0.5
217.70517	0.3
222.07663	31.0
223.08057	1.7
234.07771	1.2
252.45110	0.4
263.15015	9.1
264.15619	0.4
265.09732	0.5
295.10941	0.7
296.11652	0.5
305.16000	2.4
309.77560	0.4
323.10300	0.5
327.13605	0.5
340.10757	0.4
355.12906	2.3
358.56076	0.4
359.16150	0.7
387.15588	100.0
388.15912	8.2
400.04785	0.4
548.94189	0.4
737.27484	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17688	0.3
53.62909	0.3
59.01250	38.8
62.59715	0.2
69.53970	0.5
69.54369	1.9
71.01283	0.4
72.99184	9.2
72.99577	0.6
75.00746	11.0
83.00806	0.3
85.02865	0.4
87.00775	0.5
92.45319	0.3
96.95908	0.5
101.02306	0.4
103.00270	0.4
107.04918	0.3
108.28115	0.2
111.00768	0.3
120.05692	0.5
122.05999	0.5
123.04446	0.5
133.04961	100.0
134.05327	2.0
153.09027	0.3
157.06488	0.4
159.11678	0.3
161.09676	0.4
161.13281	0.9
173.10989	0.3
187.11206	7.6
188.11540	0.3
189.09163	0.5
191.01869	0.3
205.12292	1.1
343.12921	0.3
393.15207	0.3
420.03494	0.5
425.18250	0.3
435.05405	0.6
453.17441	0.5
469.16940	0.3
582.22412	0.3
610.80383	0.3
633.25281	1.7
651.27069	1.5
657.12482	0.9
658.12170	0.3
687.19586	0.3
693.27423	4.2
694.28143	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.4923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	3.3
69.26871	1.1
70.30804	3.6
78.95784	53.1
96.96832	4.5
152.99498	35.4
153.00737	2.2
171.10216	2.2
214.69200	1.3
255.23186	2.6
256.23691	1.5
274.75925	1.1
277.21732	73.7
278.22086	10.4
279.23306	100.0
280.23642	7.4
346.04974	1.3
456.25354	1.8
458.26700	1.6
582.22144	1.6
709.35309	1.5
736.49200	54.9
737.49579	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	737.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49835	0.4
57.03295	0.5
59.01250	51.1
59.27662	0.4
60.01571	0.4
61.98707	2.7
71.01242	2.8
71.58344	0.7
72.99181	8.7
75.00744	13.5
78.95789	0.5
78.98472	0.5
79.95616	1.1
80.96389	5.1
83.01281	0.4
83.04884	0.5
85.02832	2.0
87.00756	1.4
88.98682	0.6
89.02341	0.4
94.01991	0.4
94.97944	0.9
96.95347	0.3
96.95885	2.1
101.02320	0.7
103.00266	1.1
105.59917	0.5
111.00799	0.5
113.02348	0.5
119.03423	0.4
122.06030	0.7
123.04408	0.9
133.04961	100.0
134.05315	2.3
147.06541	0.5
148.99013	0.6
152.07092	0.6
161.13242	0.6
171.10164	2.4
187.11209	5.1
190.94803	0.5
191.01932	0.7
197.11758	0.7
201.11246	0.4
205.12291	0.7
209.03040	0.7
209.11696	3.1
215.12912	0.4
219.30362	0.4
225.00708	1.2
227.12877	1.0
229.14503	0.4
247.19514	0.5
249.11288	0.5
262.59479	0.4
292.30432	0.4
295.10089	0.4
393.15619	0.5
425.18262	0.7
453.17831	0.6
633.25385	1.8
634.25732	0.6
651.26843	1.8
693.27417	3.8
694.27515	0.6
737.30389	6.3
738.31207	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.4923
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44757	5.8
56.53809	5.2
60.72440	5.9
66.78854	5.8
78.95765	27.8
80.10516	5.7
85.46194	7.7
87.40923	5.8
88.28925	5.8
105.45806	5.6
138.23811	6.1
152.99467	22.3
169.05731	5.6
209.84535	6.0
263.36368	7.0
277.21710	100.0
278.22119	10.0
279.23279	93.8
456.58316	7.1
498.07205	6.1
507.84253	8.2
736.49133	83.8
737.48773	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	735.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	10.4
61.71497	1.7
70.23843	4.4
70.24239	2.7
71.01264	6.5
74.92221	1.7
78.95795	7.5
83.34736	1.8
85.02850	3.0
95.01249	2.3
96.95921	2.1
96.96851	2.1
104.55000	1.6
113.02351	7.4
119.03396	2.5
126.06947	1.6
136.24396	1.7
152.99477	2.9
173.41109	1.5
195.13808	10.1
277.21750	24.2
278.22052	2.7
291.23492	2.6
295.22791	100.0
296.23172	6.8
319.22867	4.0
346.84915	1.9
543.98700	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	735.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09962	1.0
59.01250	100.0
61.98706	1.3
65.42577	0.9
68.83769	1.2
70.18013	4.9
71.01232	1.1
78.95776	4.7
80.34084	1.0
85.06435	1.0
91.03855	1.5
101.02258	1.2
111.08034	1.4
111.33952	1.0
128.73503	0.9
132.86354	1.0
151.14957	1.0
152.99550	1.0
168.71869	1.0
176.69446	1.0
197.11813	7.0
199.13301	1.2
201.11275	2.6
207.10106	1.5
225.11234	1.7
234.49455	1.1
251.16443	1.1
253.09177	1.1
255.23256	9.8
277.21722	1.7
291.19623	6.1
293.21161	2.6
309.20718	23.1
310.21124	1.8
318.92871	1.1
458.07620	1.1
654.57611	1.2
735.46057	6.4
736.43945	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	735.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	0.2
57.03322	0.6
57.17548	0.2
59.01247	6.3
68.93898	0.2
69.03326	1.7
71.01247	4.1
71.04885	0.7
71.58202	0.3
72.99197	0.2
73.02818	0.7
81.03359	0.2
83.01271	0.5
83.04894	0.7
85.02811	1.0
85.06448	0.5
86.52055	0.2
87.00735	0.8
89.02300	2.4
93.03343	0.4
95.01249	0.3
95.04899	0.7
96.95898	0.2
97.06489	0.3
99.00746	0.2
100.59621	0.2
101.02322	3.7
109.06454	0.7
111.08037	0.6
113.02335	2.2
113.09586	0.2
117.49378	0.2
118.02625	0.2
119.03384	0.8
125.09625	0.6
125.86108	0.2
135.11664	0.3
143.03429	0.2
145.04999	0.4
149.09621	0.5
153.09053	0.2
161.04437	2.1
161.13243	0.5
167.10684	3.0
169.12332	0.2
171.10225	0.3
171.62488	0.2
177.12799	1.0
179.05522	0.6
179.10728	1.3
179.14320	3.2
181.12218	0.2
195.13823	16.6
196.14258	1.2
205.12271	10.0
206.12547	0.5
209.11729	0.3
211.13336	0.4
223.13332	100.0
224.13661	5.4
225.14883	0.9
228.13618	0.5
231.21043	0.2
235.08162	2.8
236.08513	0.2
253.09245	15.9
254.09586	0.5
256.13098	0.8
265.21710	0.5
275.20151	5.4
276.20245	0.4
291.19659	0.2
293.21201	81.9
294.21527	5.6
311.16687	0.3
325.18579	0.2
441.21579	0.4
459.22324	10.1
460.22470	1.1
492.21991	0.4
499.33997	0.6
529.30249	1.2
557.97729	0.2
659.16187	0.2
698.33789	0.2
701.73370	0.2
735.42462	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.4
57.03315	1.0
58.00470	0.3
58.70787	0.2
59.01247	6.4
61.98714	0.2
63.19247	0.2
63.40947	0.2
69.03322	2.2
69.09071	0.3
71.01248	4.2
71.04892	1.0
73.02820	0.7
79.18030	0.2
83.01247	0.5
83.04872	0.4
85.02834	0.9
85.06484	0.4
87.00753	0.9
89.02312	2.8
93.03320	0.4
95.01250	0.5
95.04905	0.6
97.02827	0.3
97.06434	0.3
101.02322	3.6
108.83132	0.2
109.06482	0.6
111.08012	0.6
113.02331	2.1
113.09586	0.2
119.03381	0.6
130.34192	0.2
141.09048	0.5
143.03430	0.3
145.04955	0.4
149.09625	0.5
153.09091	0.3
161.04459	1.6
161.13278	0.4
167.10677	3.1
177.12773	1.0
179.05577	0.6
179.10678	1.2
179.14325	3.5
181.30319	0.2
195.10205	0.6
195.13843	15.9
196.14259	1.1
205.12285	9.8
205.15857	0.4
206.12643	0.6
209.11778	0.4
211.13264	0.4
223.13347	100.0
224.13698	5.8
225.14856	0.8
228.13583	0.5
229.63062	0.3
235.08206	3.1
253.09258	16.1
254.09735	0.6
256.13150	1.0
258.32416	0.2
275.20139	4.4
275.22925	0.4
276.20486	0.3
277.21735	0.5
291.19379	0.2
293.21216	81.3
294.21518	6.8
309.20862	0.2
438.79263	0.2
441.21091	0.6
459.22363	9.9
460.22693	1.1
492.22205	0.3
499.34164	0.6
529.30231	0.9
735.41632	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.7
55.12084	2.0
57.03318	3.8
58.00459	3.1
59.01251	100.0
61.98701	3.5
69.44720	12.3
71.01254	50.5
72.99177	4.9
73.02826	8.3
75.00734	2.3
78.95750	1.7
80.96392	2.1
83.01248	5.0
85.02816	18.9
87.00749	4.0
89.02312	35.7
95.01246	6.8
96.95888	4.8
97.02818	1.7
99.00750	2.0
99.52486	1.3
101.02320	31.1
109.78246	1.5
111.00747	2.4
112.01538	1.5
113.02324	29.7
119.03384	14.0
120.08083	2.2
122.06013	4.0
122.82961	1.4
125.02345	2.1
132.94380	1.3
143.03401	6.4
149.04393	2.0
152.07062	5.6
158.44150	1.5
161.04449	6.6
165.12938	1.6
171.10149	1.8
179.05592	8.9
183.05396	1.4
209.03012	2.2
209.11790	6.2
220.82408	1.3
229.14473	3.7
239.10716	2.5
239.54901	1.3
253.09358	1.8
253.13464	1.5
347.83755	1.4
403.16687	2.0
469.31723	3.7
487.32718	3.4
508.63080	1.4
631.36981	70.6
632.37250	9.6
641.26105	1.7
649.38080	46.4
650.37634	7.0
671.13361	1.5
673.28253	1.6
691.39667	7.6
735.28363	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	735.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.5
56.43048	1.3
57.03317	4.2
58.00461	4.1
59.01250	100.0
60.01591	2.1
60.99164	1.8
61.98708	6.8
67.41310	1.2
69.03333	3.0
71.01252	65.6
71.57637	2.1
72.99164	6.9
73.02818	10.1
75.00744	2.4
78.95771	2.1
80.72813	1.3
80.96390	4.0
83.01257	5.9
85.02819	27.0
87.00752	6.2
88.98676	9.1
89.02316	33.9
93.03317	1.5
95.01245	6.8
96.95892	16.7
97.02810	3.9
97.06503	1.6
98.95492	2.2
99.00771	4.3
101.02321	31.3
111.00768	5.6
113.02327	28.0
113.03062	2.5
119.03394	12.3
122.06030	2.1
124.01559	3.0
125.02349	6.0
129.01846	1.7
133.04968	11.4
137.39464	1.2
143.03389	9.2
144.96115	1.4
149.02522	1.4
149.04462	2.4
152.07027	1.6
161.04501	8.6
171.10231	2.9
179.05573	6.8
187.11327	1.7
188.95116	3.3
191.01933	2.8
209.02919	1.9
209.11771	5.6
229.14429	3.4
265.29492	1.4
363.83582	1.4
364.96808	1.4
469.31793	4.3
487.32593	3.8
556.24573	1.6
595.34961	3.5
631.36951	72.2
632.37415	10.2
649.38037	54.2
649.48975	2.3
650.38446	9.0
691.39099	13.3
692.40149	3.0
735.28967	4.1
743.35822	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	735.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11177	6.9
59.01236	19.2
61.98699	100.0
71.01243	16.0
71.57001	10.3
73.02808	6.9
78.95764	20.2
80.96407	7.9
96.95896	9.0
104.54176	6.6
111.04356	7.5
146.70871	6.9
152.99525	12.5
171.10223	38.2
209.11775	68.6
211.13422	15.0
219.56462	8.1
223.09630	13.9
225.11162	8.2
235.08157	7.4
253.09180	15.0
289.18143	18.8
293.21130	26.2
301.02859	20.8
307.19186	13.9
309.20792	11.6
459.18692	8.8
735.38391	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	735.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	9.9
61.98703	100.0
71.01257	11.9
76.31081	2.6
78.95763	6.6
80.96403	4.8
83.04877	2.7
85.02834	3.4
89.02299	4.3
97.02811	3.8
101.02354	6.5
111.04401	9.1
113.91098	2.6
123.08057	3.0
171.10162	17.4
172.27750	3.0
195.13802	5.6
197.11719	3.7
207.10257	7.5
209.11726	15.0
211.13356	14.0
212.13748	4.1
223.09740	13.9
223.13246	3.0
225.11279	7.5
229.21175	2.6
235.08084	3.8
246.49686	2.8
253.09204	8.0
289.18045	11.5
291.19696	9.9
293.21201	24.1
295.22375	4.1
309.20721	9.0
319.71347	2.8
633.81921	3.1
695.24298	3.0
717.38593	4.1
735.39014	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88129	0.7
57.03314	1.1
59.01247	9.0
62.56855	0.8
65.00210	1.0
69.03333	0.9
71.01248	7.8
72.99165	2.2
73.02824	7.3
83.04897	3.3
85.02818	4.5
85.99978	1.6
86.14635	0.8
87.00748	6.7
87.04409	2.2
89.02347	1.2
96.95872	1.5
97.02831	2.3
101.02341	3.5
113.02319	1.6
115.03882	3.1
131.03391	4.8
143.03404	5.9
145.04904	0.8
153.00003	2.2
165.00558	1.0
165.01826	6.3
178.97986	2.4
179.98747	5.0
180.27481	0.9
180.99574	4.1
205.07132	2.3
206.97484	1.1
225.16168	1.8
233.00719	1.0
269.04541	1.3
273.02130	1.0
284.98642	3.3
285.99396	4.7
301.01633	4.2
312.98117	3.1
313.03595	2.1
313.98898	47.7
314.04419	3.1
314.99207	2.7
318.12454	0.9
328.00403	5.2
329.01221	73.7
330.01593	5.5
331.02649	0.9
347.02277	9.1
450.34604	1.2
451.32645	1.2
453.39554	0.9
522.88043	0.8
559.39606	1.4
655.13367	100.0
656.13739	14.9
675.48169	26.1
735.09039	12.2
735.50574	1.0
736.09210	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	734.4766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.52194	1.9
62.21842	1.7
74.12651	1.7
75.15974	2.0
75.78738	1.7
78.95776	29.0
79.39643	1.7
79.75876	1.8
80.41857	1.6
96.96851	2.6
98.19711	2.7
135.38493	2.2
152.99490	22.0
277.21722	100.0
278.22079	10.2
290.33398	2.2
376.46915	2.0
456.24698	3.6
474.26398	2.2
493.29065	2.4
522.89905	2.0
734.47455	33.1
735.48151	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	734.4771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46821	1.3
59.01238	5.5
69.23334	13.3
69.23644	1.3
69.95003	1.0
78.95779	24.0
96.96857	2.4
98.19766	2.0
118.66530	1.0
152.99507	19.2
169.89647	1.1
196.00130	1.1
217.00275	4.1
217.17976	1.3
224.66599	1.2
262.79907	1.3
269.83585	1.2
277.21722	100.0
278.22134	6.5
344.21317	1.3
398.21002	1.2
456.25372	1.6
474.26471	1.8
579.63641	1.2
734.47711	31.0
735.47925	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	734.4765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82171	4.1
61.42143	3.9
61.83677	4.6
78.95789	15.7
127.59066	3.7
152.99471	11.6
154.69102	3.7
162.33650	4.8
247.13423	4.7
277.21747	100.0
278.22235	6.4
462.17184	4.3
612.30829	4.5
734.47534	37.5
735.48383	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	734.4769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.2
69.88091	2.9
78.95782	24.6
79.80975	0.5
96.96861	2.2
152.99503	18.2
171.00566	1.0
233.22765	0.6
259.20587	0.8
261.78708	0.5
275.20126	0.5
277.21729	100.0
278.22092	6.8
400.22522	1.1
456.25211	2.9
474.26093	2.0
734.47607	28.8
735.47711	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	733.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	3.6
57.03323	5.8
58.00468	2.7
59.01250	100.0
61.98703	1.8
71.01255	73.6
72.99194	3.8
73.02818	17.8
78.95787	1.9
83.01273	8.0
85.02820	30.5
87.00759	6.3
87.04376	3.3
89.02317	27.0
95.01271	4.9
96.95885	3.9
98.19730	2.9
99.00759	7.3
101.02319	36.3
104.52732	1.6
111.00758	4.8
113.02327	34.1
119.03395	8.9
125.02372	3.8
125.09663	2.1
125.29025	1.6
129.01816	2.3
136.37552	1.6
138.23718	1.6
143.03386	5.1
159.02847	3.2
161.04483	7.8
171.10242	3.2
179.05540	3.1
207.10226	1.6
209.11763	4.8
210.12054	2.2
225.11296	3.7
229.14436	6.9
260.92459	1.7
311.13077	1.7
346.79437	1.4
467.30115	8.9
485.31198	13.5
504.08951	1.6
518.80811	1.5
629.35413	93.9
630.35773	14.9
647.36438	79.7
648.36572	11.7
689.37579	18.0
690.37793	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	733.365
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30048	1.3
55.01754	3.5
57.03318	5.5
57.93961	1.5
58.00454	3.6
59.01250	100.0
60.01595	1.8
71.01254	68.3
71.04191	2.1
71.04507	1.8
72.99182	2.8
73.02818	13.1
75.00719	1.8
83.01221	8.2
84.02049	1.6
85.02821	30.8
87.00742	7.7
87.04401	3.4
89.02314	25.5
95.01218	8.3
97.02836	3.7
99.00773	6.3
101.02317	36.9
111.00765	2.5
113.02323	37.6
119.03384	8.9
124.01554	2.3
125.02361	6.1
129.01862	2.3
139.37833	1.6
139.61086	1.7
143.03429	5.7
161.04466	12.5
165.05463	1.7
167.43463	1.5
179.05537	2.8
209.11646	2.6
258.29974	1.7
304.95642	1.5
308.72531	1.8
467.29892	9.8
468.30603	2.8
485.31265	15.7
629.35425	95.1
630.35681	20.9
647.36517	86.1
648.36798	15.3
689.37268	13.9
690.37555	3.4
755.36182	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	733.365
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73085	1.5
55.01762	2.3
56.35439	1.4
57.03322	4.5
58.00462	2.8
59.01250	100.0
60.99167	2.0
61.98701	5.2
68.02406	2.8
69.03338	2.0
69.54578	11.2
71.01254	80.4
72.99181	5.3
73.02816	21.0
73.40213	1.3
75.00764	1.8
78.95775	2.0
83.01262	10.4
85.02822	36.1
87.00763	6.7
88.98663	7.7
89.02318	32.7
93.03356	2.1
95.01268	6.3
96.95879	10.5
97.02848	2.7
99.00765	7.7
101.02322	39.9
111.00772	4.7
112.01530	1.6
113.02331	36.1
114.02636	2.4
119.03398	9.9
122.05988	3.8
124.01553	2.4
125.02332	5.9
125.09604	6.6
129.01866	3.2
131.03400	1.6
143.03397	5.2
152.07111	5.4
155.10747	1.7
159.02910	2.9
161.04417	10.6
171.10194	15.1
179.05557	3.9
185.11835	2.1
187.09680	5.1
190.25839	1.5
191.01805	2.6
201.11272	1.8
209.02907	2.0
209.11787	11.1
211.13206	1.6
227.12813	3.1
229.14581	1.6
253.09367	4.0
268.83585	1.5
322.11801	1.5
343.21323	3.9
382.37689	1.6
422.28653	1.5
467.30133	12.0
485.31238	11.3
611.24762	3.7
628.23212	1.8
629.35406	83.3
630.35907	13.6
643.27869	3.0
647.36462	83.6
648.37079	12.1
689.37604	16.8
690.38501	2.5
697.20007	2.0
733.39240	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	733.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79548	1.8
59.01248	50.2
63.34940	1.9
69.03353	2.2
69.38334	20.0
71.01255	95.3
73.02833	4.1
78.95770	4.0
80.02567	3.2
80.47969	2.1
83.04897	5.3
85.02808	4.0
87.00748	3.3
89.02319	7.4
95.04906	4.0
97.02835	7.7
97.06458	2.2
99.00784	4.3
101.02314	9.7
106.98655	2.0
109.06463	27.5
111.00854	2.1
113.02334	6.1
116.78483	2.3
121.06467	2.1
122.53188	1.8
126.12832	1.8
126.86945	2.0
127.11137	2.6
135.08046	3.1
142.02580	4.7
145.05040	2.5
161.04515	3.9
161.48729	2.1
163.11162	17.3
167.14211	2.3
171.10188	22.6
181.12271	7.1
183.13821	8.9
185.11809	5.4
189.09134	2.5
193.12236	2.9
194.30208	2.7
199.09714	4.4
199.13338	6.1
201.11240	11.1
207.10194	75.8
208.10571	5.3
209.11755	45.0
210.12157	3.5
211.13344	100.0
212.13649	6.2
215.12837	2.3
225.11258	55.2
226.11609	2.8
227.12843	17.7
235.08170	5.3
243.12424	2.7
253.09317	17.8
267.36453	2.6
314.76062	2.2
357.24387	2.4
373.23868	3.5
383.22037	6.2
391.25085	5.5
401.23370	14.6
419.24469	5.2
443.19186	3.8
461.20178	18.8
542.21991	2.3
637.32281	14.6
655.33398	17.4
656.33447	4.9
673.33978	2.8
759.64801	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59571	17.7
59.01250	38.9
59.94750	19.4
61.98685	64.0
63.19349	22.3
64.17770	23.3
68.74751	18.9
71.01245	64.6
75.64879	19.1
78.95761	40.7
80.96390	26.4
89.02367	25.6
96.95869	24.4
101.02309	24.7
107.06339	19.6
116.06786	18.3
152.99541	28.3
167.07420	19.1
171.10162	100.0
185.48140	19.7
207.10217	45.6
209.11681	31.2
211.13297	76.1
225.11220	24.3
245.31969	20.2
289.18237	33.6
315.69110	20.8
342.76376	21.6
426.94711	21.8
473.51093	18.8
485.93149	22.0
561.12891	19.9
577.26636	27.2
578.26868	24.4
733.35785	70.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50743	0.5
58.22205	0.5
59.01248	6.6
60.57999	0.5
61.98697	0.9
71.01249	2.3
73.02826	0.9
73.41165	0.5
74.30607	0.4
78.95773	1.0
80.96405	0.9
83.01273	0.5
84.90091	0.5
85.02822	1.6
87.00761	0.5
89.02327	1.2
93.03339	12.2
94.06507	1.2
96.95884	1.3
99.00765	0.6
101.02319	1.1
104.04968	0.8
105.05724	1.8
106.06483	1.7
107.03653	2.0
108.08078	1.2
113.02338	0.6
120.04464	0.6
120.08080	46.5
121.05225	1.9
121.08453	1.5
122.06011	48.0
123.06329	1.1
130.02904	1.7
132.04466	1.8
134.06024	6.4
134.09679	0.5
135.03036	0.6
136.07579	48.3
137.04712	0.6
137.07913	1.9
147.03133	0.8
148.03918	0.8
152.07086	4.3
152.99536	0.8
153.04221	1.0
158.02374	6.5
160.03934	1.8
161.07060	0.5
162.05461	1.0
163.74739	0.5
164.07086	7.4
168.18568	0.5
169.12187	0.5
171.10196	1.6
175.02740	0.6
176.03447	3.1
190.05026	34.5
191.05482	1.2
192.06645	1.2
197.11774	5.1
207.10172	1.4
209.11781	1.2
210.09201	4.4
211.09790	0.8
224.10814	1.5
225.11292	3.2
226.08719	1.1
226.12325	34.7
227.12686	2.6
237.10262	1.2
239.11885	0.6
243.15123	1.6
251.08244	0.9
251.11804	1.6
255.15012	8.0
258.11313	1.4
263.08173	0.7
264.08994	0.9
265.09937	0.8
270.11349	10.0
279.11435	6.0
280.12109	3.0
281.12900	0.7
287.14020	14.5
288.14096	1.1
291.19598	0.6
307.10947	5.2
308.11493	0.8
311.13943	1.8
324.11203	1.9
325.11795	0.7
339.13489	100.0
340.13828	8.7
386.18677	0.8
393.18222	10.2
394.18411	0.7
428.19461	1.0
461.20544	1.0
472.18787	1.0
486.63333	0.6
504.21320	1.9
527.32178	8.3
528.32758	1.0
538.23846	0.8
551.26660	1.1
566.23218	2.0
595.25610	7.9
596.26184	1.2
598.25629	10.9
599.26001	1.4
627.28412	6.0
628.28094	0.8
641.31897	0.6
642.32178	0.6
661.30176	0.7
696.90131	0.6
733.32135	9.6
734.33020	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64118	1.1
55.01769	1.5
56.99452	1.3
58.00455	2.8
59.01248	21.1
66.12072	1.1
71.01251	26.7
71.57320	1.5
72.99175	3.6
73.02823	4.5
77.69468	1.2
80.96780	1.2
83.01279	15.5
84.02005	2.1
85.02831	5.3
87.00755	3.9
89.02294	6.9
96.95874	1.3
99.00762	9.2
101.02327	15.9
107.04903	9.3
111.00696	1.5
112.01533	13.1
113.02349	7.0
119.03366	2.4
123.00530	4.1
125.02126	3.9
127.00137	1.7
128.01170	1.2
135.04431	1.4
140.00797	5.5
140.05196	1.3
141.01573	5.5
143.03499	1.6
146.03661	4.5
147.04182	15.6
149.02223	1.3
149.05927	1.6
150.03075	2.8
150.04167	1.4
151.00041	9.1
153.01578	2.6
154.99548	1.4
161.02341	1.4
162.03053	3.0
164.04654	3.0
165.05467	3.7
166.99521	11.8
169.60257	1.3
173.00815	1.8
177.05486	3.8
179.05537	1.8
179.07045	2.8
183.01106	2.7
183.02673	47.6
189.05272	5.4
191.03226	3.5
195.06482	3.2
201.03702	2.4
201.05351	1.7
209.02872	1.4
213.05261	1.5
214.52914	1.1
225.03778	1.4
227.01648	11.4
230.08949	1.3
231.06381	7.0
251.09163	6.7
269.10196	2.3
291.08505	26.2
292.08896	2.7
303.08652	2.5
309.09607	12.5
333.09506	13.6
335.07504	38.3
336.07858	4.1
351.10590	100.0
352.10999	6.3
353.08463	35.2
354.08582	2.5
354.64734	1.3
377.08600	7.2
395.10016	2.0
472.59378	1.4
505.17297	3.0
689.79822	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58600	1.8
59.01254	3.5
69.11195	2.2
71.56828	2.1
71.57242	2.1
80.96391	1.9
124.66434	1.9
127.78047	2.0
140.35085	1.6
150.23914	1.7
152.56001	1.6
183.01125	3.8
197.02696	23.9
230.02516	2.8
325.18405	100.0
326.18655	10.2
523.93378	1.9
727.77075	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	732.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	4.5
61.98698	4.6
64.66275	0.4
68.02411	67.3
69.02128	0.4
69.02757	0.6
71.01248	4.2
72.99159	0.4
73.02815	0.5
80.02554	1.2
80.96394	0.6
81.03339	0.9
83.01258	0.8
83.04898	4.9
84.02045	1.7
85.02822	2.3
89.02316	3.6
95.04884	1.0
96.95884	1.3
97.06437	0.5
98.20699	0.8
99.92984	0.4
101.02325	2.6
106.24820	0.4
109.06474	0.6
113.02332	1.8
119.03395	2.1
125.09566	0.6
126.99460	100.0
127.99784	2.7
135.08075	1.1
143.03427	0.6
161.04456	1.6
161.09761	0.4
163.11180	4.1
165.12790	2.2
171.10219	0.5
179.05511	1.6
179.11838	0.5
183.28282	0.4
191.01900	0.6
191.10684	1.0
209.11772	79.6
210.12108	5.1
225.11269	0.7
227.12840	35.2
228.13210	2.6
259.15433	2.2
263.11102	0.5
271.09500	0.6
275.11447	1.0
344.15002	0.5
403.11618	10.2
404.11893	0.8
472.14841	4.4
473.14676	0.5
640.86584	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.495
Annotation	Unknow
Peak:m/z	Relative Intensity
69.80347	9.6
71.01251	3.1
78.95770	5.6
85.02811	3.4
96.95901	3.9
97.06457	2.2
121.02810	4.8
143.55164	1.6
149.15184	1.6
152.99487	3.1
171.10176	5.5
183.13803	3.8
211.13283	12.0
221.11763	2.8
226.05353	1.6
229.14430	13.9
291.19614	3.3
327.21765	100.0
328.22144	5.3
403.13617	3.2
662.98071	1.8
731.29962	2.0
735.19916	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	731.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07156	1.0
55.01751	3.2
57.03325	2.7
58.00468	2.4
59.01250	100.0
64.29900	1.0
69.03336	1.5
71.01254	58.6
71.81911	1.0
72.99170	3.8
73.02816	10.9
75.00716	1.0
83.01270	6.0
84.02045	1.1
85.02821	26.5
87.00747	3.7
89.02315	27.8
95.01263	7.0
96.95876	5.7
97.02793	1.4
98.20296	5.7
99.00758	3.1
101.01693	2.1
101.02327	29.6
112.01563	1.0
113.02328	34.0
119.03386	11.7
124.82857	1.0
125.02260	1.9
129.01828	2.1
131.03357	2.5
141.28401	0.9
143.03403	4.5
159.02943	1.0
161.04462	6.0
179.05495	4.5
186.26697	1.0
209.11841	1.7
317.46729	1.3
465.28714	8.2
483.29599	11.1
627.33838	71.2
628.34338	9.1
630.48761	1.0
645.34906	58.1
646.35175	6.3
687.35992	10.2
688.36169	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	731.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	3.0
56.29097	1.2
57.03319	2.8
57.97335	1.1
58.00465	3.7
59.01250	100.0
69.68829	7.2
71.01254	58.6
72.01595	1.1
72.99178	4.3
73.02822	10.2
83.01258	4.2
85.02826	20.5
87.00743	4.2
89.02319	47.3
93.89246	1.0
95.01259	5.5
96.95900	6.1
97.02847	1.2
99.00756	3.4
101.02322	33.4
111.00705	1.1
113.02335	35.8
119.03386	20.4
125.02303	1.4
131.03389	2.8
143.03404	7.1
149.04462	2.4
161.04503	9.2
171.10124	2.3
179.05479	10.8
194.90033	1.0
209.11742	1.5
430.40927	1.1
465.28598	6.5
483.29623	6.2
535.50702	1.3
627.33844	43.0
628.34045	6.1
640.30005	1.1
645.34924	46.1
646.35602	7.3
687.35980	6.8
688.35803	1.3
731.31879	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	731.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02853	9.8
58.73348	6.1
60.62469	5.8
69.88338	35.0
74.02355	19.9
78.54274	5.5
78.95777	24.8
82.63823	5.3
86.02374	6.9
87.05541	8.7
93.19512	6.4
98.19821	7.4
99.05552	15.3
127.05074	6.4
128.03412	52.5
135.05527	9.7
143.04509	45.2
146.04536	6.6
153.06578	6.8
153.09598	5.9
160.00630	11.7
179.04459	8.4
196.03712	11.8
209.11789	100.0
210.08871	10.9
210.12115	7.7
219.40247	6.5
272.08978	10.0
273.03180	7.1
306.07721	49.9
424.17407	91.0
431.35812	7.1
447.75925	5.8
458.16385	13.9
727.37830	7.8
731.25854	47.1
732.26434	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	731.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34024	0.8
59.01222	2.3
60.04775	0.7
63.02255	1.5
65.00185	1.7
67.90158	0.8
71.01239	1.9
71.57424	1.4
74.61568	0.9
85.02798	2.3
93.03324	5.9
95.01259	1.9
100.64812	0.8
107.01242	1.6
108.02074	1.1
109.02831	7.2
111.00789	0.9
119.01241	1.2
119.04931	1.0
121.02815	2.3
123.00764	1.7
125.02327	1.6
131.04869	0.9
133.02794	1.0
135.00774	2.6
136.01564	1.6
137.02353	5.0
139.03865	2.0
143.04892	1.6
145.02855	3.7
147.00772	2.3
147.04361	1.3
148.01578	2.9
149.02367	8.2
151.00258	2.2
153.01842	1.0
159.04410	1.5
161.02356	3.3
163.00275	22.7
164.01082	6.1
165.01840	2.2
167.04817	1.0
169.06499	1.2
171.04401	6.2
173.05997	1.6
175.00333	6.5
176.01074	9.4
177.01819	2.5
178.99765	1.9
183.04488	4.4
184.05008	0.8
185.02429	1.2
185.05965	2.2
187.03896	5.2
189.01886	1.6
189.05490	2.0
190.99773	2.5
191.01756	0.9
191.03461	1.0
192.00575	1.4
193.01382	1.5
195.04489	1.6
197.05978	1.3
198.03131	1.4
199.03865	3.8
200.04677	0.9
201.05484	2.7
203.03386	2.4
204.00597	1.4
205.01419	1.9
211.03944	9.0
212.04572	2.8
213.01817	1.9
213.05463	6.0
214.02432	1.5
215.03419	6.2
216.04214	2.7
217.04936	2.6
226.02588	1.6
227.03471	7.2
228.04193	5.0
229.04962	6.4
231.02979	1.4
231.06483	1.1
239.03508	8.0
240.04198	3.4
241.01273	1.8
241.04976	5.5
242.02151	1.8
243.02892	6.7
244.03523	2.4
245.04478	3.0
255.02977	17.3
256.03735	10.3
257.04517	16.1
258.02167	1.0
258.05203	5.2
259.02637	1.8
259.05801	0.9
267.02954	14.6
268.03506	2.6
269.04495	2.6
270.01639	4.2
271.02487	8.1
272.03180	4.0
273.03867	2.8
282.01587	1.4
283.02475	56.3
284.03131	11.7
285.04016	17.4
287.02023	1.9
288.02505	1.2
295.02426	2.4
297.03961	1.4
299.01950	7.7
300.02576	6.9
301.03522	8.8
311.01962	15.9
312.02734	40.7
313.03510	50.3
314.03751	5.0
316.02197	2.8
317.02872	2.1
319.06073	1.1
321.07379	1.6
327.01563	1.3
328.02115	7.6
329.02899	9.4
331.06152	1.6
333.07809	1.2
335.34875	1.0
347.05716	1.8
349.07010	1.9
359.05490	1.2
361.07181	3.0
365.06467	1.5
376.05652	4.1
377.06583	12.9
378.07449	4.5
379.08228	3.0
393.06165	2.4
394.06635	3.8
395.07489	1.1
404.05435	5.1
405.06107	55.3
406.06589	9.8
407.07376	1.1
421.05490	3.7
422.06329	27.5
423.07077	11.6
424.07175	1.6
475.09009	1.3
595.16858	1.2
609.15027	2.5
621.14581	44.9
622.14886	5.3
625.14050	8.7
626.14484	2.1
637.14233	11.4
638.14575	2.4
687.19727	1.8
713.17242	7.0
714.16895	1.3
725.02350	0.9
730.47479	1.5
731.18201	100.0
732.18610	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	2.7
60.01560	0.3
61.98702	100.0
71.01249	0.3
71.57681	0.4
88.85425	0.2
98.61108	0.2
109.93887	0.2
126.22233	0.2
161.04482	0.3
171.10173	11.2
172.10538	6.2
173.10730	2.7
173.56918	0.3
174.10970	0.7
182.01729	0.3
196.59111	0.2
216.02660	0.3
217.52383	0.3
253.09290	0.5
255.09749	0.4
277.21713	3.0
278.22067	4.9
279.22287	2.6
280.22739	0.7
409.20047	0.3
513.65100	0.3
677.18158	0.3
731.41705	0.3
747.81995	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26903	1.3
59.01250	100.0
61.98687	1.2
69.65081	2.1
69.65487	7.1
71.01246	13.1
73.02805	3.9
80.96388	1.6
85.02825	10.0
88.20268	1.2
89.02313	4.4
93.03347	1.6
96.95874	5.2
99.00771	2.0
101.02325	8.3
110.98019	1.3
113.02319	5.3
136.05208	17.3
141.47234	1.2
149.06024	3.6
161.04465	4.8
163.07553	3.9
165.09126	11.0
171.10204	3.8
191.02029	1.7
209.03036	1.7
209.11766	4.8
227.12659	1.3
228.32552	1.3
233.40466	1.3
277.11612	1.7
285.05893	1.8
315.18176	7.3
315.21231	1.9
322.04651	1.4
327.21710	4.0
357.19159	2.8
401.14117	4.8
463.34344	3.0
480.34100	2.4
481.35352	26.3
482.35745	4.3
523.36578	4.4
600.51508	1.8
625.39447	2.8
729.21204	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	729.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.8
69.52168	2.2
71.01250	1.2
83.04908	0.5
85.02837	1.5
98.19742	0.3
100.04373	0.3
101.02286	0.3
107.04923	1.6
108.02077	0.3
109.02837	0.4
110.55386	0.3
111.00790	0.3
113.02376	0.3
121.02854	0.5
122.03623	5.0
123.04424	0.8
131.08560	0.5
134.03694	0.4
135.04413	37.0
136.05258	3.7
137.05988	1.3
145.04912	0.3
147.04398	0.6
148.05191	4.7
149.05981	0.5
159.04422	0.7
160.05222	0.6
161.04509	0.5
164.04712	0.8
173.06070	0.4
174.06770	6.6
175.07593	2.3
176.08220	0.5
177.09189	0.6
188.08345	0.8
189.09097	2.4
190.09766	0.4
193.05142	0.3
201.11305	0.7
202.09969	0.6
209.11754	0.6
217.12181	0.3
227.12654	0.3
230.13084	1.9
242.13069	3.1
243.13441	0.4
245.15456	7.3
247.16783	0.4
255.13998	0.7
257.15439	4.9
258.15839	0.6
259.13431	0.5
260.14117	1.2
271.13376	0.5
273.14859	0.5
274.15738	18.8
275.16501	100.0
276.16833	7.7
289.14462	1.1
301.18155	1.0
317.17514	4.5
318.18051	0.3
323.20468	0.3
419.20764	6.4
420.21219	0.9
437.21429	1.5
472.26065	0.3
479.22842	20.1
480.23148	2.7
523.21777	0.3
624.14117	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01274	0.9
60.82943	0.7
65.00220	0.6
68.33352	0.5
69.50239	1.6
69.50657	3.1
71.01270	0.8
84.86806	0.6
85.02816	0.8
93.03336	5.5
96.95885	1.0
109.02857	1.7
121.02857	8.1
123.85824	0.5
143.04996	1.0
145.02904	2.2
147.00743	1.4
149.02414	1.5
161.02409	0.6
169.06506	0.7
171.04385	4.6
174.92157	0.5
175.00281	3.5
175.04018	0.6
183.04445	1.0
197.06042	1.1
203.07138	2.4
209.11656	0.8
211.03984	1.8
212.04593	0.8
213.05597	1.0
227.03400	2.7
228.04230	3.6
229.05028	1.2
239.03456	1.3
240.04160	0.7
241.05232	0.7
242.02164	1.0
243.03009	1.5
255.02965	7.0
256.03616	3.7
257.04547	2.6
267.02963	1.7
268.03848	3.6
269.04605	1.3
270.01758	1.3
271.06113	32.7
272.06421	2.6
283.02444	4.5
284.03128	2.9
299.05569	2.2
305.08307	0.9
312.02899	0.7
333.07678	1.5
349.07233	3.1
361.07361	0.6
375.08823	0.7
377.06650	36.7
378.07181	4.0
405.06134	94.1
406.06677	17.2
407.07245	0.8
416.48465	0.7
420.08481	47.3
421.09201	33.1
422.09653	3.5
463.10318	0.8
517.68762	0.7
652.37787	0.6
729.20300	100.0
730.20709	19.0
739.51678	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01621	0.5
59.00969	0.5
59.01262	1.7
61.98708	0.9
71.01228	1.2
71.49114	0.5
71.50630	0.5
71.57593	1.0
75.00783	1.0
75.24941	0.6
75.62518	0.5
78.95753	0.9
83.02384	1.1
85.02834	1.9
87.00755	0.7
89.02310	0.6
93.03328	4.5
96.95878	5.1
101.02319	0.7
109.02854	2.1
119.04867	0.5
121.02860	3.7
121.74719	0.6
129.34818	0.6
136.05202	0.9
139.03954	1.3
145.02956	1.4
147.00824	1.6
149.02370	2.1
161.02322	0.7
171.04443	2.7
171.10196	0.7
175.00308	5.2
190.02722	0.6
191.01945	0.8
194.03348	0.6
198.03149	0.8
199.03888	0.7
209.03006	0.8
209.11758	1.9
211.03978	1.7
227.03508	1.4
228.04185	1.8
229.05000	1.5
237.55150	0.6
239.03302	0.9
241.04851	1.1
242.02281	0.7
243.02939	1.0
255.02873	5.7
256.03683	1.8
257.04501	3.3
267.02951	1.6
268.03714	2.3
269.04550	1.7
270.01727	1.4
271.02484	1.8
271.06119	10.9
283.02463	4.6
284.03235	2.2
299.05582	1.8
300.02887	0.8
304.07373	0.6
305.08127	1.1
312.02670	0.7
332.06836	1.1
333.07654	1.7
349.07190	4.0
360.06366	1.5
361.07117	1.3
375.08801	1.0
377.06656	44.4
378.06924	5.1
391.08585	1.1
405.06131	78.6
406.06653	15.3
419.07889	0.7
420.08499	43.6
421.09216	32.2
422.09787	2.8
481.35101	1.0
729.20313	100.0
730.20685	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	729.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	1.6
71.01242	2.6
85.02803	2.4
89.02326	1.0
93.03331	12.6
96.27068	0.9
96.95864	1.8
98.20651	1.9
108.02042	1.4
109.02835	1.6
121.02796	1.1
123.04398	1.5
135.00754	2.6
135.04369	1.1
137.02260	0.9
138.25392	0.8
145.02849	1.1
148.01529	2.3
153.05412	1.2
163.00272	11.0
163.03891	1.1
165.05412	1.2
167.04926	1.3
171.04385	2.0
176.00998	3.7
177.01778	1.4
183.04416	2.9
195.04488	1.0
197.06024	1.7
199.03871	5.2
204.00456	1.5
211.03957	7.0
212.04652	2.5
213.05498	2.9
214.02571	1.7
215.03532	1.8
225.05515	2.0
226.02769	1.0
227.03427	6.0
228.04143	3.5
229.05058	2.6
229.14432	1.4
229.56030	1.0
238.02513	1.3
239.03516	6.0
240.04218	8.1
241.04976	2.9
242.02164	10.4
243.02975	2.7
252.04460	1.7
253.04979	1.7
254.02231	1.4
255.02951	29.8
256.03665	11.9
257.04526	5.0
266.02167	1.4
267.02914	10.8
268.03595	3.3
269.04541	5.0
270.01752	1.8
270.04718	1.3
271.02499	3.0
271.06018	0.9
282.01773	1.4
283.02454	35.5
284.00009	1.3
284.03156	20.8
285.03885	3.8
295.02374	4.4
296.03070	1.9
297.04019	15.2
298.04626	2.5
299.05508	8.3
300.02609	1.4
311.01935	23.4
312.02740	28.8
313.03387	3.8
313.98929	1.4
314.04160	1.7
315.05026	3.6
321.07642	1.5
325.03491	2.2
326.04306	13.2
327.05072	84.3
328.05374	6.9
329.01117	2.4
332.07394	0.9
333.07629	3.0
348.06400	11.0
349.07117	25.8
350.07513	2.1
363.08728	12.2
364.09207	1.9
376.05719	1.2
377.06628	19.7
378.06931	3.1
391.08255	6.9
392.08875	4.4
393.09125	1.0
405.06189	9.7
406.06833	2.5
420.08524	30.1
421.09274	32.3
422.09558	2.8
509.07532	2.3
577.06360	1.2
605.14966	1.2
635.16217	30.0
636.16565	3.6
697.25812	1.5
724.62061	1.1
729.20300	100.0
730.20679	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.456
Annotation	Unknow
Peak:m/z	Relative Intensity
61.74108	5.9
65.41241	5.7
71.57566	6.6
73.90691	4.9
78.95779	100.0
81.17845	5.5
96.96817	11.1
152.99490	98.6
433.23483	41.9
471.30756	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	727.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24512	0.7
51.95306	0.6
59.01250	37.1
61.98720	0.8
66.97810	0.6
70.33332	0.6
71.01249	4.3
72.99177	0.7
73.02824	0.8
74.42393	0.6
78.95776	1.8
83.01262	1.0
85.02812	1.1
89.02309	3.2
97.06427	0.8
98.19759	1.8
101.02345	3.4
113.02310	1.7
119.03395	0.8
125.09639	1.5
127.11179	2.2
148.65491	0.6
151.11192	3.7
152.99496	0.8
161.04434	0.7
169.12254	33.6
170.12575	1.5
171.10179	85.6
172.10516	3.6
209.11818	1.1
213.11308	3.0
228.62607	0.7
231.12384	4.2
253.09201	3.8
275.20093	0.7
277.21716	30.9
278.22018	2.8
281.10239	0.6
300.31375	0.6
352.72327	0.6
372.22882	0.8
407.19165	2.0
436.66489	0.8
449.20181	1.8
467.21298	3.4
650.41119	0.7
709.41620	4.7
710.41974	0.8
727.42719	100.0
728.43030	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	727.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60426	0.3
59.01249	18.5
60.41866	0.3
71.01251	2.0
71.12360	0.7
72.99170	0.7
73.02818	0.7
73.89376	0.3
76.21297	0.3
78.95785	1.7
80.96386	0.9
83.04871	0.3
85.02817	0.5
87.00743	0.6
87.92526	0.3
89.02324	1.7
101.02319	1.3
113.02345	0.6
125.09584	0.9
127.11174	1.6
129.63332	0.3
152.99487	1.4
161.04433	0.8
171.00473	0.4
171.10173	100.0
172.10522	4.4
185.11775	0.4
209.11777	0.6
225.11305	0.4
235.08179	2.6
248.89497	0.4
253.09227	5.7
255.23180	2.7
277.21704	67.0
278.22025	5.8
321.15445	0.3
390.14597	0.3
390.19888	0.9
405.22238	6.4
406.22534	1.2
407.19235	2.6
513.30640	0.9
572.30524	0.4
637.36969	0.7
709.38837	1.6
710.39423	0.5
727.38330	3.5
728.38824	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	42.8
68.15827	0.7
70.32321	1.7
71.01251	4.2
73.02831	0.8
73.61252	0.6
73.68133	0.7
78.66522	0.9
78.95778	2.0
85.02835	1.3
87.00732	1.3
89.02326	1.8
95.04900	1.1
97.06455	1.7
101.02306	3.4
101.18147	0.7
113.02340	1.9
119.03413	0.7
127.11209	0.8
138.23268	0.9
138.89270	0.8
145.04944	0.8
151.11150	4.5
152.99539	1.6
159.10123	0.9
161.04500	1.7
169.12260	34.5
170.12613	1.3
171.10193	49.7
172.10567	2.2
213.11234	3.1
231.12418	1.6
232.83414	0.8
235.08244	1.4
253.09279	4.4
277.21716	68.9
278.22128	7.3
449.20303	0.9
480.16263	0.8
565.37134	1.1
709.41479	5.0
710.42358	1.2
727.42688	100.0
728.43060	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	34.3
61.41807	2.8
63.51260	2.6
66.18146	2.7
70.02369	8.4
70.02779	6.0
71.01258	32.2
72.99170	3.3
73.02818	3.7
74.01468	2.7
78.86662	2.4
78.95788	13.7
83.01280	3.1
85.00118	2.4
85.02835	5.0
87.00747	6.4
89.02322	21.2
96.50619	2.9
97.02856	4.9
100.09153	2.9
101.02336	22.3
113.02350	10.2
115.82793	2.7
119.03400	8.4
125.02332	8.5
142.60800	3.1
143.03381	5.0
152.99500	8.1
161.04521	4.0
179.05455	4.6
207.15599	2.9
221.06583	4.2
235.08159	11.9
249.17964	2.5
269.24863	73.8
270.25156	7.5
273.23465	2.8
305.08688	3.4
397.13486	100.0
398.13736	4.9
415.14609	31.8
556.27692	3.1
667.38910	3.3
705.36853	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	727.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33149	0.9
57.03325	1.8
59.01250	25.9
60.59139	0.8
61.98709	4.5
71.01260	3.6
78.95798	2.7
81.03281	1.0
85.02827	5.9
87.27661	0.8
89.02313	1.7
96.95882	8.0
99.04385	1.1
107.04924	1.4
109.02895	1.0
111.04395	2.7
113.02366	1.5
119.03366	1.0
121.06464	5.1
121.31410	0.9
123.07990	1.2
135.04416	3.6
136.05200	62.2
137.05533	1.6
147.08081	2.5
148.05222	1.8
149.05968	6.8
150.06772	7.2
150.16501	1.0
162.06720	1.5
163.07588	1.9
163.11121	1.0
164.04770	1.4
164.08340	2.1
165.09122	73.3
166.09502	2.3
171.10164	3.0
171.11609	1.0
191.01866	1.7
197.11746	2.2
199.09724	2.0
199.13284	2.3
201.11299	3.2
207.10181	1.8
209.11806	6.6
211.13315	2.7
223.13266	1.2
225.11342	3.2
227.12880	1.8
227.61182	1.1
235.08023	1.0
253.09198	1.7
273.18542	2.0
289.18106	1.5
309.20856	1.2
311.25983	1.5
313.23871	25.2
314.23969	1.4
324.12161	1.0
366.82056	1.0
367.12848	1.0
461.32803	9.6
462.32892	1.3
478.33002	6.3
479.33798	41.0
480.33755	4.9
493.35403	1.6
623.38080	1.3
641.39270	1.6
683.40076	100.0
684.40393	17.9
689.33624	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30074	2.8
59.01253	25.8
61.98687	3.4
64.39381	2.4
71.01254	11.5
71.37615	5.7
72.99187	3.6
73.02818	3.3
75.00745	7.4
78.95779	8.5
87.00774	3.7
88.98712	3.7
89.02329	10.3
95.80488	3.0
96.95908	4.5
101.02327	10.3
113.02320	4.8
119.03463	4.0
121.02864	5.7
137.90742	2.9
137.96909	2.7
143.03496	3.6
151.37003	2.7
152.99519	4.4
158.71799	2.7
161.04489	4.2
179.05492	3.0
179.95966	2.6
195.13835	4.2
223.13300	3.5
235.08105	3.1
293.21228	100.0
294.21567	4.8
309.20728	5.2
397.13474	29.8
415.14548	35.2
479.37134	5.8
499.57837	3.7
691.36060	5.4
727.33423	34.9
728.33752	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	727.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.8
59.09975	0.6
61.36412	0.6
65.40057	0.6
67.39092	0.6
71.44331	1.0
77.43328	0.7
80.51375	0.6
86.23522	0.7
110.89937	0.7
115.35807	0.7
119.04914	94.2
120.05262	3.3
125.06454	0.7
132.67239	0.7
133.04950	0.8
161.26465	0.8
163.03914	100.0
164.04260	3.4
223.06038	1.1
297.66580	0.7
310.67188	0.7
325.09247	10.6
337.53067	0.8
341.11057	0.9
364.48911	0.7
414.09247	0.8
486.85059	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67370	0.6
57.03324	0.8
58.00459	1.8
59.01250	30.6
69.81377	1.8
69.81787	2.7
71.01256	20.5
72.99167	2.0
73.02818	1.6
81.03303	0.8
83.01263	2.8
85.02830	7.6
87.00738	1.3
89.02315	14.1
93.83296	0.7
95.01258	1.6
95.04890	1.4
96.95889	4.2
99.00739	1.7
99.04401	1.8
101.02305	10.2
107.04912	3.9
108.02026	0.9
109.02838	1.5
111.00739	0.7
111.04427	1.2
111.81770	0.7
112.60831	0.6
113.02334	7.3
115.86022	0.6
119.03378	4.8
120.02045	4.3
123.04398	2.6
131.03410	0.8
133.04976	1.4
135.04382	1.5
136.39676	0.7
138.03128	13.0
139.03885	2.5
143.03363	0.9
152.07033	0.9
153.05479	100.0
154.05902	3.9
161.04601	1.4
161.09755	0.7
161.13292	6.1
169.10085	0.8
171.10133	0.8
179.05554	2.1
187.11203	20.8
187.12820	1.3
188.11424	0.7
191.01912	1.8
193.04990	1.1
205.12257	7.7
209.02917	1.0
229.10313	0.7
229.12151	3.7
231.10263	1.6
247.13431	1.2
249.11273	6.8
253.09357	0.8
255.10257	1.0
271.10303	0.9
273.11252	1.0
291.12445	2.0
315.12448	1.2
333.13455	1.0
349.16470	2.5
357.13293	1.1
373.03662	0.9
393.15250	4.4
418.03635	1.3
449.62427	0.7
547.21826	38.8
548.22046	5.8
573.21826	0.7
727.15613	1.8
727.27985	12.6
728.28900	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	727.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.7
57.03321	10.4
59.01249	6.0
68.99679	2.0
71.01245	7.4
71.31322	2.2
72.99180	1.9
73.02798	1.3
75.00756	2.3
75.25592	1.2
83.01260	1.8
84.02022	1.8
85.02819	90.2
85.97903	1.0
86.03171	1.4
87.00735	6.7
89.02295	2.1
95.01245	1.3
103.00272	1.8
111.00746	6.4
115.00260	1.9
123.34346	1.1
129.01865	6.8
133.01317	2.2
135.04384	1.2
147.02928	7.8
159.38370	1.2
173.00790	2.6
175.02316	1.3
191.01889	43.1
209.02963	100.0
210.03268	4.1
273.78400	1.1
292.96457	1.1
303.07251	1.3
332.67563	1.1
355.06668	11.4
371.06183	7.1
402.04419	1.2
520.37048	1.1
636.06116	1.3
694.37140	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	3.1
58.00478	0.9
59.01253	7.1
61.66971	0.7
69.22890	8.6
71.01254	6.7
73.02824	3.0
74.49786	0.7
75.00742	1.4
78.95779	13.5
83.04926	0.7
84.80126	0.7
85.02827	3.0
87.00738	0.6
89.02318	2.4
95.01323	0.8
95.04926	1.0
96.96858	1.1
97.06480	1.4
98.07298	0.7
98.19781	1.5
101.02342	3.7
109.06469	0.8
113.02346	2.4
123.08064	0.8
125.08836	0.7
125.09576	3.9
127.11195	1.2
137.09555	0.7
139.11188	3.0
141.12769	2.4
152.99493	19.9
153.09116	1.2
155.10718	1.7
161.04475	1.2
163.11259	1.1
167.10699	3.8
171.00592	2.5
171.10193	15.2
172.10577	1.0
181.12389	1.0
183.10277	1.0
185.11760	100.0
186.12148	5.9
197.11723	0.8
199.09709	1.0
200.49661	0.8
201.11301	2.0
207.10233	1.7
209.11838	4.1
210.12076	1.2
211.09718	1.3
211.13385	1.1
215.12851	2.3
225.11270	4.1
227.03108	1.7
227.12924	2.2
228.13237	1.5
229.10765	2.5
235.08252	1.4
253.09308	5.7
253.21802	4.5
277.21732	31.2
278.22101	4.3
279.22995	2.5
321.33875	0.8
331.64578	0.8
379.11456	1.5
399.14297	3.5
453.15222	2.6
465.19873	2.9
471.16437	12.4
472.16687	1.2
489.17557	1.3
525.49829	0.8
635.35986	2.4
707.37659	15.7
708.38513	3.9
725.41138	77.8
726.41339	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14265	1.0
55.01747	1.2
57.03320	5.9
59.01250	10.6
59.91867	0.9
69.03318	1.3
71.01252	9.6
71.06036	1.3
71.06390	2.0
73.02793	4.0
73.68933	1.0
75.00736	2.2
77.84165	0.9
78.25677	0.9
78.41201	1.0
78.95776	21.7
83.01245	1.2
85.02808	3.8
87.00732	2.1
89.02306	3.4
95.01250	1.1
96.15671	1.0
96.96836	2.1
97.02799	1.8
97.06458	3.7
99.84377	0.9
101.02313	6.2
108.36643	1.0
113.02301	3.0
123.07998	1.9
125.09583	4.1
127.11189	1.2
135.34399	1.0
139.11172	5.9
145.04898	1.4
149.09572	1.3
152.99489	29.2
155.10675	1.5
161.04393	1.9
163.11221	1.6
167.10741	6.7
171.00522	3.2
171.10193	20.1
181.12286	1.5
185.11755	69.6
186.12132	3.1
197.11745	2.1
199.09576	2.4
201.11255	2.9
207.10167	2.4
209.11765	6.0
210.11990	1.2
211.09720	1.1
215.12781	3.7
225.11227	3.8
227.03069	2.1
227.12813	5.0
228.13153	2.3
229.10773	2.8
229.13197	1.4
235.08130	1.9
253.09227	7.6
253.21680	6.3
255.23253	1.1
277.21713	95.9
278.22043	11.2
279.23001	3.9
291.32028	1.1
379.11252	1.5
399.14236	5.6
447.18375	1.8
453.15518	3.2
471.16272	17.9
472.16513	2.3
489.17258	2.5
517.79425	1.2
635.35535	3.7
638.68561	1.2
648.82263	1.0
707.37891	20.8
708.38190	5.8
725.41058	100.0
726.41547	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	725.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72000	0.8
53.76662	0.8
57.03305	1.7
59.01250	13.5
61.98700	1.0
67.35885	0.7
69.28154	3.2
69.28576	4.7
71.01245	6.2
73.02824	1.4
78.95751	0.9
85.02840	1.8
87.00740	1.3
89.02311	3.7
95.04866	1.3
96.95866	2.1
97.06465	2.7
99.09462	0.8
101.02338	5.0
102.02654	0.7
113.02345	2.2
133.05002	0.7
134.96542	0.8
151.11205	14.2
161.04503	1.0
169.12253	100.0
170.12645	5.5
170.58745	0.7
171.10223	2.0
193.12204	1.0
195.10175	2.1
195.13838	2.9
197.11769	1.4
197.60178	0.8
209.11777	3.1
210.12189	0.8
211.13373	1.2
213.11258	12.4
223.13361	2.4
235.08231	1.4
253.09225	3.5
253.31981	1.0
275.20056	1.3
293.21213	13.7
294.21335	1.2
431.19009	2.1
449.20340	7.6
450.20709	1.1
488.02652	1.0
725.41125	88.2
726.41553	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19415	1.2
54.12658	1.3
57.02373	1.3
59.01239	2.7
61.98700	3.0
67.22531	1.4
70.33205	6.0
78.95780	96.0
96.96857	18.8
103.22071	1.2
106.98229	1.4
127.11152	3.1
152.99495	31.7
171.10190	66.5
172.10510	1.5
180.04469	1.3
183.20628	1.3
223.00096	6.9
241.01164	33.4
255.23285	50.5
256.23511	3.9
259.69888	1.4
277.21692	4.5
278.21841	2.7
279.23138	2.8
295.22824	1.9
297.03802	2.2
391.22592	11.6
445.19925	1.7
469.14868	1.7
553.27802	6.4
708.92932	1.5
725.38770	100.0
726.39075	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	725.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	5.8
62.09149	2.8
69.54364	24.1
78.95781	100.0
80.04246	2.7
96.96839	14.3
144.79456	2.5
152.99506	39.8
154.99779	3.8
171.10173	48.9
195.13826	3.8
241.01189	18.7
255.23239	43.3
256.23645	3.5
277.21533	6.6
293.21136	6.0
295.22720	10.9
391.22186	6.2
429.20624	8.4
431.22037	10.1
447.22009	3.2
523.38055	3.0
553.27625	8.9
592.84015	3.0
725.38446	61.9
726.39807	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	725.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	1.4
61.98700	1.0
62.80712	0.5
63.96100	1.0
69.10728	0.5
71.01254	7.1
71.11944	0.6
71.12269	1.1
73.02823	1.1
75.89854	0.5
78.95772	25.9
78.98446	4.9
79.95167	0.8
79.95608	10.3
80.96387	56.6
81.03317	0.7
85.02817	2.1
87.00752	1.8
90.90748	0.5
94.97958	13.4
96.95860	1.2
96.96824	4.5
97.02817	1.6
97.06428	1.0
101.02311	1.8
106.97955	3.2
122.97462	3.0
125.02308	2.4
125.09612	2.7
127.03913	0.7
127.11163	0.6
128.40021	0.6
134.97476	3.6
136.99011	1.0
148.99034	4.7
152.98343	3.1
152.99565	6.8
164.98553	10.9
171.04802	0.6
171.10175	20.1
172.10471	1.0
187.09692	1.3
206.99603	1.9
209.11769	3.0
223.00008	1.8
225.00673	16.2
241.01183	9.3
255.20660	1.2
255.23274	17.3
256.23709	1.2
277.21411	0.8
279.23157	1.3
293.21152	1.0
295.22726	1.6
307.09412	0.9
338.02347	0.7
391.22437	2.2
429.20193	0.7
431.21951	0.9
469.13675	2.5
489.20538	0.7
537.27448	0.9
553.28003	1.3
693.38892	0.7
725.38031	100.0
726.38336	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29097	0.4
57.03323	0.6
59.01251	19.4
61.98689	1.5
69.02979	0.4
69.03322	1.9
71.01245	3.6
71.04890	1.1
73.02798	0.6
75.00758	0.6
78.95802	0.6
83.04884	1.2
85.02805	1.4
87.00732	0.9
89.02334	1.9
91.26425	0.4
96.95886	2.4
97.06458	0.5
101.02325	2.5
109.06455	0.6
111.08045	1.5
113.02320	1.5
119.03375	0.8
125.09619	0.7
135.11674	0.5
141.09062	0.6
150.06757	1.7
161.04459	1.3
163.94753	0.5
167.10680	3.5
169.12248	1.6
171.10156	1.8
177.12706	0.5
177.82002	0.4
179.05547	0.7
179.10664	2.2
179.14316	3.4
185.11674	1.0
195.13826	11.0
197.11763	23.9
198.12151	1.1
199.13403	0.7
205.12279	8.4
206.12737	0.6
209.11746	1.4
211.13344	1.5
213.11333	1.0
223.13341	100.0
224.13680	5.3
235.08226	3.6
239.56313	0.5
253.09273	7.5
277.21637	0.7
291.19528	3.7
293.21207	1.4
294.21500	0.5
297.15152	1.1
309.20676	6.7
310.20947	0.6
411.25409	1.3
429.26791	0.9
433.20581	1.3
441.21539	1.8
459.22354	14.9
460.22238	0.7
476.35135	0.8
477.35626	0.8
481.72144	0.5
621.31934	0.8
647.34204	1.6
648.34998	0.8
665.35449	2.3
681.42914	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	725.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67570	0.5
57.03337	1.1
59.01252	23.3
61.98694	1.6
62.07329	0.6
69.03326	1.9
71.01254	3.7
71.04876	1.2
71.58288	1.2
73.02789	0.8
78.95785	1.0
83.01259	0.7
83.04884	1.2
85.02810	1.9
87.00770	0.9
89.02309	2.5
96.95907	3.1
97.02829	0.9
97.06445	0.9
97.18228	0.7
98.76470	0.5
99.00783	0.6
101.02320	3.2
105.78208	0.6
109.06526	0.7
111.08034	1.5
113.02324	1.5
116.92771	0.8
117.70528	0.6
117.76360	0.6
119.03394	1.0
125.09526	0.6
149.09593	0.8
153.09129	1.1
153.12820	0.8
161.04451	1.8
163.11153	0.7
167.10724	3.9
169.12248	3.0
171.10187	2.8
177.12813	0.8
179.10670	1.7
179.14372	3.3
185.11789	1.3
195.13841	10.9
197.11772	48.4
198.12112	2.6
199.13304	1.9
200.13728	0.7
205.12270	10.3
206.12729	1.0
209.11710	1.2
211.13310	1.1
223.13342	100.0
224.13672	5.7
227.12729	1.0
232.21498	0.6
235.08286	3.9
253.09277	11.1
291.19608	4.5
293.21100	1.3
297.15259	0.8
307.19278	0.9
309.20703	15.7
309.24231	1.0
310.20978	1.3
341.23227	0.9
383.28015	0.6
433.20819	2.0
441.21310	2.4
459.22354	14.5
460.22614	1.1
634.78467	0.7
647.34320	2.4
665.35480	2.5
701.54108	0.6
725.38635	1.2
726.40131	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.36
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78468	0.5
56.13269	0.6
57.03332	1.0
59.01253	15.6
60.99192	0.7
61.98690	1.2
67.77697	0.6
69.70532	3.7
71.01256	5.3
72.99187	3.7
73.02828	0.8
75.00748	100.0
76.01081	1.3
77.09741	0.5
78.95779	1.4
80.96394	1.6
81.03338	0.7
85.02821	3.7
87.00745	1.1
88.98679	2.8
89.02328	1.6
91.03902	0.5
96.95901	2.9
98.19786	0.9
99.00747	0.7
101.02336	1.8
111.00775	1.2
113.02316	0.9
115.03917	0.9
116.92727	0.7
117.01830	3.8
121.02885	0.7
122.06011	0.8
125.02351	1.3
129.01921	0.7
133.04971	13.5
152.99493	0.6
161.04556	0.7
171.10225	3.5
173.00897	0.6
191.01862	0.9
201.11328	0.7
202.11516	0.6
207.10234	0.8
209.02985	0.9
209.11862	2.7
210.12225	0.6
225.00587	0.7
225.11287	0.9
227.12895	0.6
229.14467	0.7
238.24631	0.5
253.09361	0.7
287.22336	1.9
306.07544	0.6
327.21738	9.1
328.22266	0.9
353.63715	0.7
413.25668	0.8
415.14618	2.7
431.26306	5.1
449.27374	1.7
452.18234	0.6
471.25940	1.2
473.27408	2.1
489.27255	3.6
491.28781	1.6
507.28137	1.5
519.31299	0.6
531.28516	1.9
549.29156	3.4
607.33612	0.8
681.36713	1.6
725.30103	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	725.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42589	0.3
59.01250	10.4
65.91780	0.3
68.36948	0.3
69.33453	0.5
69.33803	3.5
71.01243	1.5
72.99175	2.0
73.02818	0.5
75.00744	100.0
76.01093	0.6
78.95747	0.3
80.96413	0.8
80.98021	0.3
85.02803	1.1
87.00761	0.4
89.02332	0.4
91.03877	0.9
99.00758	0.6
101.02331	0.7
115.03881	0.5
117.01814	3.3
125.02352	0.7
133.04958	9.0
171.10182	0.7
225.00464	0.5
225.11441	0.4
251.48108	0.3
267.05078	0.4
269.21204	0.4
287.22357	2.1
327.21777	1.6
413.25360	0.8
431.26581	4.3
449.27512	1.8
471.26001	1.3
472.26590	0.4
473.27713	1.1
489.26978	3.4
491.28448	1.4
507.27948	1.4
531.28448	2.0
549.29053	3.4
607.33636	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76055	0.7
57.03304	0.9
58.00464	1.2
59.01254	8.0
60.03828	0.7
63.34612	0.7
69.03300	0.8
70.50985	2.4
71.01257	7.7
72.99187	0.7
73.02824	1.6
76.72269	0.6
78.95779	7.1
83.04890	0.8
85.02813	5.7
87.00739	1.1
89.02314	6.7
96.95888	16.2
96.96864	1.9
97.02882	0.7
97.06458	3.4
98.19863	0.8
101.02305	4.9
113.02342	2.5
113.03399	0.7
113.68196	0.7
119.03386	1.9
121.02846	0.9
125.02311	1.7
127.11136	1.2
131.04442	0.9
143.03450	1.0
147.04404	0.9
149.25690	0.7
152.99454	1.2
155.10754	1.1
161.04449	1.0
165.12772	0.7
171.10196	10.8
178.49875	0.6
179.05537	2.2
183.13805	2.9
193.12283	0.8
209.11769	1.7
211.13348	15.6
221.11777	3.2
229.14427	12.4
235.08159	1.9
239.12825	1.2
253.09245	2.7
291.19696	3.9
309.20807	2.7
314.27484	0.8
327.21750	100.0
328.22086	7.0
359.12961	1.5
389.13513	0.8
397.13577	3.1
415.14536	23.6
416.15103	1.5
725.36066	3.9
726.36139	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76055	0.7
57.03304	0.9
58.00464	1.2
59.01254	8.0
60.03828	0.7
63.34612	0.7
69.03300	0.8
70.50985	2.4
71.01257	7.7
72.99187	0.7
73.02824	1.6
76.72269	0.6
78.95779	7.1
83.04890	0.8
85.02813	5.7
87.00739	1.1
89.02314	6.7
96.95888	16.2
96.96864	1.9
97.02882	0.7
97.06458	3.4
98.19863	0.8
101.02305	4.9
113.02342	2.5
113.03399	0.7
113.68196	0.7
119.03386	1.9
121.02846	0.9
125.02311	1.7
127.11136	1.2
131.04442	0.9
143.03450	1.0
147.04404	0.9
149.25690	0.7
152.99454	1.2
155.10754	1.1
161.04449	1.0
165.12772	0.7
171.10196	10.8
178.49875	0.6
179.05537	2.2
183.13805	2.9
193.12283	0.8
209.11769	1.7
211.13348	15.6
221.11777	3.2
229.14427	12.4
235.08159	1.9
239.12825	1.2
253.09245	2.7
291.19696	3.9
309.20807	2.7
314.27484	0.8
327.21750	100.0
328.22086	7.0
359.12961	1.5
389.13513	0.8
397.13577	3.1
415.14536	23.6
416.15103	1.5
725.36066	3.9
726.36139	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	41.6
69.45242	21.8
69.45656	34.8
71.01258	25.7
73.38960	5.8
89.02305	25.3
101.02319	18.6
113.02320	12.0
115.03918	11.2
119.03394	12.4
136.12965	6.2
179.13396	6.9
189.84734	6.6
201.27426	6.7
261.33118	8.0
295.10382	43.4
323.13489	100.0
324.13660	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	725.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27557	0.6
59.01244	2.3
69.75734	0.6
70.83385	0.8
71.01252	2.3
71.34696	1.0
72.99165	0.6
75.00748	1.3
85.02831	2.5
89.02325	1.1
93.03346	1.5
94.06502	4.1
96.95876	1.0
101.02324	1.2
106.06516	1.4
107.03654	10.5
108.04397	1.2
120.04409	1.4
121.05231	0.8
121.32796	0.6
122.06005	63.7
123.06337	2.7
124.07561	1.6
134.06012	3.5
139.02650	4.1
150.05544	1.9
152.07076	100.0
153.07462	4.4
166.04988	1.3
171.10199	2.6
199.09573	0.8
201.11258	1.9
206.47931	0.6
209.11787	1.9
223.08733	1.2
224.05899	0.9
225.06718	0.8
226.07535	0.7
231.85217	0.9
238.07423	2.1
239.08180	1.1
240.08934	0.9
241.09778	2.6
242.02545	0.6
242.05048	0.7
243.11298	1.0
252.09009	2.2
253.09792	40.3
254.10466	11.2
255.11324	4.6
265.09814	7.3
266.10373	1.4
267.11288	1.6
271.02518	1.9
299.01901	3.2
314.04221	1.4
315.05051	2.7
327.21814	5.6
345.12360	1.1
347.13959	16.8
348.14267	1.9
359.13959	3.7
374.14978	0.9
388.16629	2.2
389.17349	2.2
390.18362	6.1
391.18439	1.5
400.16711	1.2
408.15601	1.5
415.14572	2.1
417.17001	13.4
418.17691	70.4
419.18219	15.3
420.19180	2.0
462.16754	4.8
463.17282	1.2
484.22238	4.1
510.20291	3.0
512.21881	36.8
513.22131	5.8
543.22705	4.3
544.22778	0.8
556.20703	3.8
573.23541	11.9
574.24219	5.9
575.25104	12.0
576.25317	1.3
617.22595	2.7
618.23169	14.5
619.23724	6.4
621.27246	1.1
681.17206	3.2
681.29138	38.5
682.18207	1.2
682.29333	8.2
725.27942	10.4
726.28052	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	725.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	8.2
57.06017	0.5
59.01258	3.4
71.01254	4.6
71.57648	1.0
73.02818	1.3
78.95778	1.1
83.01265	0.7
83.04891	0.7
85.02813	2.5
89.02316	0.9
90.86144	0.4
95.01234	0.5
95.04907	2.1
96.95886	2.0
99.08038	40.5
100.08356	1.2
101.02328	1.9
101.05949	0.7
105.03378	0.8
109.06473	1.2
113.02320	1.9
118.80818	0.5
121.02853	0.9
123.04414	85.2
124.04781	1.7
127.07545	53.8
128.07890	2.1
129.05470	39.0
138.03134	1.4
149.02415	0.5
153.05486	49.2
154.05827	1.4
159.02942	0.7
161.04469	4.0
171.06549	11.5
189.07648	3.2
285.09805	18.1
286.10147	1.9
291.39249	0.5
325.20212	1.1
326.20428	0.6
327.21783	3.9
328.22180	0.6
415.14679	1.6
436.20953	0.7
439.15970	0.8
451.23169	2.5
457.17154	100.0
458.17471	10.2
500.87500	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03282	0.6
58.00451	0.9
59.01252	21.5
60.01559	0.7
62.80719	0.6
64.79845	0.6
69.16568	0.6
69.23701	5.5
69.24123	2.2
71.01252	12.8
72.99165	0.8
74.70774	0.7
85.02826	3.3
87.00748	1.0
89.02315	17.0
95.01257	1.2
95.04900	0.7
96.95882	1.8
101.02323	8.8
105.03336	1.2
110.80790	0.7
113.02321	5.7
115.03891	1.6
116.67223	0.7
117.03340	1.2
119.03392	9.6
123.04429	3.1
130.82523	0.6
132.02055	2.1
133.02850	47.2
134.03278	1.3
135.04442	3.6
143.03436	1.2
160.01541	0.8
161.02351	100.0
162.02722	4.9
179.03445	1.5
179.05594	1.4
187.07584	1.3
233.08148	1.8
254.89775	0.7
259.06046	3.8
284.03571	0.6
295.10324	71.3
296.10620	4.7
323.07697	1.2
412.56360	0.8
439.12613	1.7
457.13528	24.3
458.13852	2.1
524.93451	0.8
535.36682	0.7
545.16760	1.4
619.18921	0.9
623.14063	0.8
686.93573	0.7
702.05774	0.8
725.22937	47.6
726.23389	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	725.194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	5.3
62.98150	0.7
63.02282	0.9
65.00208	1.6
66.42207	0.6
67.91272	0.7
69.45959	0.7
71.01254	4.8
71.16586	0.7
72.99186	4.6
73.03961	0.6
75.00748	6.9
78.95831	0.7
83.01292	2.3
85.02852	3.2
85.19691	0.7
89.02330	2.6
93.03349	0.7
96.95914	2.7
101.02338	2.1
107.01254	4.5
108.02070	2.1
109.02831	2.0
113.02319	1.2
113.46495	0.7
117.03349	1.0
119.03397	0.9
121.02863	2.2
122.06027	1.7
123.04404	1.1
133.02893	4.4
133.04959	13.8
135.00801	0.9
135.04349	1.0
145.02905	1.9
146.39383	0.7
148.01579	0.9
151.00269	15.7
152.07101	2.7
161.02354	11.0
163.00285	2.2
164.01054	1.0
167.11266	0.7
169.01332	1.3
170.69229	0.8
171.04477	1.0
175.03960	1.1
178.99783	7.1
179.03423	1.6
183.04382	0.9
187.03893	1.4
191.01869	1.1
196.06180	1.0
199.03868	4.4
203.03366	0.7
205.08846	0.7
209.02945	1.2
210.65076	0.7
211.03934	1.1
213.88503	0.8
215.03455	2.0
226.02705	2.5
227.03481	5.2
239.08543	0.7
243.02979	12.9
244.03369	1.3
245.04460	1.6
254.01988	1.6
255.02960	31.0
256.03256	2.0
259.06189	0.7
271.02457	86.6
272.02914	6.4
273.04129	1.1
283.02466	0.8
295.10333	9.8
298.99255	0.4
299.01941	24.4
300.02719	100.0
301.03442	36.7
302.03894	1.8
327.21747	3.1
415.14587	1.2
441.13937	1.4
457.13669	2.0
591.13470	28.0
592.14655	3.5
609.14587	26.9
610.14648	3.0
612.71973	0.8
655.34076	0.7
661.25439	0.8
667.15112	18.6
668.15253	2.6
693.26117	1.0
725.19263	43.4
726.19708	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	725.157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13971	0.4
55.97163	0.4
65.00195	3.1
65.12915	0.5
69.28562	4.2
85.02816	0.9
89.00212	0.6
93.03310	1.1
96.95885	0.6
97.02824	2.4
98.19714	0.7
107.01236	0.5
109.02813	1.7
121.02840	11.3
149.02353	1.0
149.99489	1.2
151.00194	1.4
163.00290	0.5
165.01839	35.2
166.02127	0.9
193.01361	5.8
194.33112	0.5
199.03955	0.9
204.72153	0.5
207.02713	0.6
215.03371	0.7
226.02585	0.8
227.03404	2.0
228.04100	0.9
242.02197	0.8
243.02876	2.6
254.02246	1.1
255.02910	2.1
256.03568	0.7
257.04382	0.6
259.06100	1.0
269.04486	2.2
270.01663	0.5
271.02460	35.4
272.02917	3.4
285.04065	2.0
287.05499	1.7
297.04108	0.5
299.01944	67.2
300.02560	13.2
313.03558	0.9
314.04303	76.2
315.05063	100.0
316.05399	7.5
327.21698	1.6
357.06427	0.8
361.14914	0.6
477.10336	16.5
478.10684	1.9
519.11414	91.9
520.04926	0.4
520.11737	12.2
681.16632	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58330	0.9
59.01237	3.0
62.11768	0.9
64.78297	0.9
65.00204	2.9
67.30293	0.8
71.01263	1.0
85.02814	1.6
93.03359	2.6
96.50061	1.0
96.95885	5.1
97.02829	2.6
101.02336	1.1
109.02850	7.0
114.93307	4.6
116.92731	5.7
120.94150	1.1
121.02833	15.0
127.58503	0.9
139.03896	1.6
147.00745	3.0
149.02313	1.6
149.99454	1.0
151.00256	1.5
163.00253	3.1
163.03923	1.4
163.91167	1.1
165.01846	37.5
166.02100	1.7
176.69148	1.0
179.03380	1.1
183.02921	1.9
186.03261	1.1
190.99796	2.3
193.01346	4.5
198.03055	1.1
199.03770	1.5
206.02158	2.7
214.02596	4.1
226.02620	2.0
227.03499	2.2
242.02158	17.7
243.02959	6.7
244.03566	1.1
253.01422	1.1
254.02139	3.4
255.02942	4.4
256.03757	1.3
257.04465	2.1
269.00964	1.6
269.04453	3.2
270.01700	35.1
271.02469	49.5
272.02957	5.3
285.04041	100.0
286.04419	9.4
287.05585	3.6
296.03098	1.2
297.04016	1.5
299.01965	42.3
300.02670	19.6
301.03018	1.8
311.05685	1.1
313.03522	37.6
314.04288	56.0
315.05087	84.1
316.05353	6.6
327.04938	1.5
353.09033	1.2
357.06088	2.4
433.07794	3.5
459.09256	1.3
461.07321	6.2
476.09518	24.5
477.10300	27.8
478.10629	2.7
479.13846	1.2
519.11420	40.8
520.11951	4.4
639.15552	2.8
681.16724	82.0
682.17157	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	723.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	6.7
66.82123	1.5
70.09967	1.5
71.01250	4.7
71.57632	2.4
74.86613	1.4
77.42089	1.5
78.95773	44.9
78.96209	3.2
83.04893	7.4
84.02050	2.6
89.02309	2.5
95.04895	2.1
96.96837	5.3
101.02354	3.8
103.06284	1.9
112.76479	1.7
117.74638	1.5
135.24106	1.5
137.01250	1.5
152.99480	47.2
163.11240	5.8
165.12730	10.3
167.16844	1.6
169.93810	1.8
171.00577	5.9
183.13824	51.4
184.14203	2.1
191.10645	2.0
199.13353	2.3
209.11761	99.1
210.12100	6.1
227.03195	4.1
227.12784	15.6
253.09250	7.0
253.21758	16.8
277.21707	90.9
278.22134	8.7
293.21289	8.1
363.12265	2.2
429.20551	5.4
437.15961	3.8
437.77380	2.0
445.20956	2.1
455.16751	8.9
463.22296	2.1
487.19507	61.9
488.19751	4.9
512.08344	1.7
691.38574	3.5
723.42322	100.0
724.42120	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	723.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22403	0.2
57.03313	0.4
59.01249	6.4
61.52616	0.2
69.03329	0.5
69.74608	0.9
69.75017	0.4
71.01250	4.4
72.99194	0.3
73.02818	0.6
78.95780	0.5
79.68973	0.2
80.02541	0.4
81.03329	0.7
83.01263	0.5
83.04896	2.4
84.02075	0.3
85.02819	1.0
87.00749	0.9
89.01808	0.3
89.02322	2.8
95.01229	0.3
95.04895	0.7
97.02848	0.2
97.06459	0.4
98.19879	0.4
99.00748	0.3
101.02328	4.0
109.06489	0.3
111.08021	0.2
113.02319	2.2
119.03381	1.0
124.55959	0.2
125.02277	0.3
125.05964	0.3
133.04912	0.3
135.08046	0.3
137.09581	0.3
143.03400	0.5
145.05002	0.4
151.30582	0.2
152.99481	0.5
155.10747	0.2
161.04431	1.6
163.11221	1.9
164.52080	0.2
165.12778	1.3
167.10687	0.3
167.14313	0.6
171.10107	0.3
173.44569	0.2
179.05458	0.9
179.14343	0.5
181.12271	0.8
183.13832	6.2
184.14099	0.3
191.10693	0.5
193.12286	1.6
195.13826	4.7
196.14304	0.3
204.86374	0.3
205.12344	0.6
207.10266	0.3
209.11774	60.3
210.12134	3.5
211.13333	100.0
212.13666	5.8
223.13336	2.6
225.11195	0.3
227.12848	5.6
228.13297	0.5
231.21086	0.3
235.08234	3.7
235.17258	0.2
247.90858	0.2
249.74086	0.2
253.09265	17.0
254.09622	0.8
256.13083	0.3
275.20169	4.5
277.18533	0.5
277.21713	28.6
278.22052	3.1
293.21225	53.7
294.21555	5.2
325.18381	0.9
331.00436	0.2
445.21008	0.5
447.22354	4.1
448.22745	0.5
487.34442	0.5
492.21616	0.3
529.30286	0.4
706.03998	0.3
723.42426	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60239	0.2
57.03316	0.2
58.00489	0.2
59.01247	4.6
61.98693	0.2
64.48852	0.2
69.03338	0.2
71.01248	3.6
71.04900	0.2
71.84576	0.2
73.02814	1.2
78.95773	3.2
80.02559	0.8
81.03328	1.1
81.22777	0.2
83.01263	0.7
83.04895	3.9
84.02039	0.7
85.02817	1.2
87.00742	0.8
89.02321	2.2
95.01276	0.2
95.04899	0.6
96.96837	0.2
97.02818	0.3
97.06443	0.3
98.20649	0.3
99.00727	0.2
101.02321	3.1
109.06444	0.3
113.02325	1.5
115.03889	0.3
118.10406	0.2
119.03395	0.6
125.02333	0.2
125.05994	0.4
125.09601	0.3
129.01761	0.2
133.04955	0.5
135.08069	0.6
137.92343	0.2
143.03418	0.3
145.04958	0.7
152.99501	2.0
155.10715	0.2
161.04466	1.4
161.09732	0.2
163.11205	3.7
164.11482	0.3
165.12758	2.2
171.10110	0.3
179.05521	0.3
181.12262	0.4
185.11842	0.2
185.65247	0.2
191.10704	0.8
199.13318	0.2
207.10178	0.4
209.11758	100.0
210.12088	5.6
211.13358	0.4
227.12822	11.5
228.13132	0.5
235.08179	3.3
236.08359	0.2
253.09262	9.3
253.21606	0.4
254.09502	0.5
275.20013	0.3
277.21701	80.5
278.22052	7.2
279.23230	0.3
293.21243	0.5
429.20294	0.3
445.20746	0.5
447.21933	0.2
469.14874	1.1
485.34100	0.2
620.36865	0.4
705.36322	1.3
723.40808	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
67.03773	2.4
69.29570	22.4
77.84915	2.4
78.95779	100.0
80.59798	2.6
96.96852	8.4
110.98457	2.8
134.98383	2.5
152.99486	51.3
158.17700	2.3
171.00562	2.8
171.10266	3.3
195.13751	5.2
223.13379	4.4
223.15746	2.1
229.28796	2.5
255.23274	43.2
256.23590	3.2
275.20129	5.7
277.21658	14.5
281.24658	2.9
282.25354	3.3
293.21188	29.2
314.78961	2.9
315.68558	2.4
413.21121	4.8
423.25201	16.9
429.20496	32.9
430.20801	4.1
445.19800	7.5
447.21613	8.1
723.42548	28.7
724.42706	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	723.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35846	1.3
59.01238	1.2
61.98704	1.5
69.80751	6.4
78.95779	100.0
81.70315	1.4
95.54147	1.2
96.96841	7.0
125.09648	1.2
150.97987	2.2
152.99492	57.5
157.14246	1.2
171.10173	2.1
182.93538	1.3
185.11807	1.7
197.11774	5.1
209.15402	1.6
233.15598	1.6
277.21729	32.7
278.21982	1.7
291.19839	1.4
309.20752	7.7
413.21121	9.8
431.22110	5.4
445.20084	20.5
446.20123	2.4
463.20917	4.7
723.42377	25.5
724.42651	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	723.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.0
71.06373	2.6
76.27670	1.0
78.95780	100.0
96.12497	1.0
96.96851	8.7
134.98418	1.7
152.99493	53.2
171.10133	1.8
195.13731	5.9
197.95941	1.1
223.13362	5.4
255.23274	5.5
275.20163	3.9
277.21716	16.2
278.21921	1.4
291.19690	2.8
293.21213	33.1
294.21671	1.8
309.20682	2.1
413.21051	5.2
423.25162	2.9
429.20441	37.7
430.20804	3.0
431.22137	1.8
445.20145	5.5
447.21463	9.1
564.15656	1.3
723.42383	31.0
724.42462	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	723.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85303	1.7
59.01232	5.2
61.98708	19.3
70.14129	1.6
71.01250	2.4
78.95771	36.3
83.04888	8.9
84.02048	1.7
89.02353	2.2
92.01894	1.6
96.96862	2.9
101.03389	1.9
126.19120	1.6
152.99480	47.1
163.11145	4.1
165.12679	3.1
171.00566	6.2
174.33327	1.9
186.45218	2.2
194.29251	1.6
200.66624	1.8
209.11757	100.0
210.12047	6.5
218.79274	1.8
227.03143	3.7
227.12811	15.5
245.04173	2.0
253.09058	2.5
253.21677	17.8
255.23372	2.3
277.21713	15.4
293.21313	2.7
429.20459	2.4
455.16803	9.9
487.19464	73.1
488.19464	4.5
642.61377	2.0
691.38165	6.2
723.40887	52.3
724.41144	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	723.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.0
58.00455	1.3
59.01252	20.7
59.92273	0.7
71.01252	12.9
71.58003	1.0
72.99188	1.7
75.00743	1.0
78.95780	0.9
79.87411	0.5
83.01244	0.8
85.02826	5.2
85.06458	1.2
87.00768	4.4
89.02322	14.9
93.03323	0.8
94.02880	1.5
95.01263	1.0
96.95893	3.1
97.06443	1.6
99.00800	0.7
101.02330	8.6
106.70753	0.6
107.04875	0.9
113.02332	4.9
116.97146	1.1
117.03345	26.3
118.03663	1.4
119.03407	5.5
119.04874	4.5
122.05999	2.1
123.04382	1.0
124.91452	0.6
129.05467	0.8
135.04440	0.9
136.03961	1.2
145.02853	100.0
146.03210	3.8
152.07076	4.2
161.04500	1.0
163.03903	6.4
172.06644	0.8
179.05577	1.4
185.09489	0.7
191.01984	1.3
203.10678	6.0
204.63724	0.6
205.04916	0.8
209.02957	1.2
209.11868	0.6
215.22427	0.6
231.10226	24.4
232.10649	0.8
257.08096	2.9
275.09262	4.1
291.10864	1.0
293.09027	0.8
299.01965	1.9
309.11902	27.5
310.12241	1.2
325.20316	1.2
338.93719	0.6
350.18777	0.7
397.13797	0.9
415.14883	1.2
437.14432	1.8
455.15579	41.9
456.15961	3.7
518.19348	0.6
534.18805	3.3
543.18756	4.7
544.18884	0.7
657.22626	0.8
691.26477	2.0
723.24994	13.9
724.25537	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.7
57.03316	0.4
59.01249	9.4
59.90036	0.3
69.03355	0.3
69.10293	0.3
71.01256	3.2
71.04873	0.8
71.56922	0.5
73.02813	0.7
78.95770	0.8
81.03341	0.3
83.01228	0.6
83.04903	0.8
85.02827	1.1
87.00750	1.1
89.02314	1.1
91.03945	0.3
95.01299	0.4
95.04900	0.3
96.95841	0.4
97.02822	3.9
97.06467	1.1
99.00755	9.0
101.02319	2.8
109.06464	1.9
110.03617	1.0
110.06738	0.3
113.02354	1.4
119.03401	0.4
123.08070	0.5
125.02377	0.4
125.09628	3.1
135.08034	0.9
136.05214	1.0
142.02606	1.6
145.04987	0.4
152.99474	0.7
161.04468	0.6
161.09634	0.5
163.11180	5.2
165.09129	0.3
179.05693	0.4
179.10716	0.5
181.12262	8.9
182.12584	0.4
189.09120	0.4
197.11758	0.4
199.13348	0.6
207.10197	30.1
207.46478	0.3
208.10555	1.7
209.11771	0.4
223.13376	0.4
225.11267	59.6
226.11642	2.6
233.22687	0.4
235.08183	3.0
243.12355	8.9
253.09209	3.7
267.12390	0.7
270.35318	0.3
274.57687	0.3
275.20178	0.4
277.21704	100.0
278.22046	7.6
285.13510	0.3
345.15576	0.4
380.30560	0.3
405.17880	0.4
443.19144	4.2
461.20230	6.6
462.20706	0.6
484.65518	0.3
513.30670	0.4
550.62537	0.3
577.36798	0.3
591.44537	0.3
721.41687	19.1
722.41992	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	721.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18271	0.5
57.03303	0.8
59.01247	10.0
61.98689	0.5
71.01250	4.6
71.04899	0.8
71.57803	0.7
73.02819	1.2
78.95763	1.4
81.03336	0.8
83.01265	0.7
83.04895	1.0
85.02814	1.7
87.00762	1.5
87.39339	0.4
89.02313	1.7
95.01252	0.5
95.04881	0.5
96.80702	0.5
96.95906	0.5
97.02823	7.6
97.06448	1.2
99.00756	10.4
101.02307	3.1
109.06459	4.0
110.03600	1.1
113.02323	2.1
119.03415	0.7
121.02815	0.8
123.08102	0.5
125.02345	0.9
125.09589	2.9
135.08018	1.3
136.05188	1.4
142.02638	2.9
142.29263	0.4
143.03391	0.5
145.10123	0.8
152.99551	0.9
161.04478	0.8
161.09546	0.7
163.11203	9.4
164.11542	0.6
179.10666	0.5
181.12262	18.2
182.12650	0.8
189.09009	0.6
197.11864	1.1
199.13326	2.1
207.10199	54.2
208.10548	2.1
209.11700	1.1
225.11269	100.0
226.11603	4.7
227.12840	0.6
235.08176	1.8
243.12357	10.7
253.09317	3.7
254.70357	0.5
255.23302	0.7
273.49261	0.5
275.20120	0.6
277.21710	88.8
278.22086	5.6
293.21280	0.9
299.15164	0.8
317.15683	0.7
442.23813	0.6
443.19214	3.7
458.05798	0.5
461.20267	29.2
462.20804	2.6
721.41614	22.0
722.41895	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92746	0.6
52.93185	0.5
59.01252	58.6
59.83904	0.5
60.01597	0.6
71.01221	0.9
71.56920	1.1
72.26086	0.6
72.99181	11.2
75.00747	11.3
78.95792	1.7
85.02840	0.8
97.02831	0.7
99.00790	0.6
101.02321	1.2
109.06494	2.6
113.02335	0.8
133.04965	100.0
134.05302	1.9
152.99574	0.6
161.04427	0.7
163.11230	2.3
181.12383	1.0
189.09032	0.6
194.93680	0.6
207.10197	8.8
208.10475	0.6
211.13322	0.9
225.11273	5.7
228.37474	0.6
235.08195	1.2
240.28958	0.5
253.09256	2.0
270.14072	0.7
277.21719	14.8
278.22092	1.3
291.19510	0.5
301.71982	0.5
376.74396	0.6
443.19385	0.8
461.20334	1.2
484.40265	0.6
721.41821	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	721.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27545	0.8
55.01755	1.6
56.39404	0.7
57.03312	1.9
59.01252	11.3
60.35692	0.8
61.98703	1.6
69.03308	0.8
70.63480	0.9
70.63805	1.8
71.01251	10.0
71.04892	4.4
73.02829	2.6
75.00759	1.5
78.95786	1.5
79.95592	0.9
80.02573	1.2
80.96395	1.4
81.03327	2.1
83.01286	1.4
83.04905	6.2
84.02042	1.8
85.02826	3.6
87.00770	2.6
89.02307	5.4
95.04926	1.4
96.95894	4.1
97.02849	4.1
97.06434	1.4
99.00759	17.6
101.02325	6.3
101.58896	0.7
109.06491	1.8
113.02338	2.4
115.29459	0.7
119.03405	0.9
123.07999	1.7
125.05936	0.9
125.09616	7.1
127.09029	0.8
127.11175	1.2
133.04968	1.8
135.08022	1.5
142.02663	1.3
145.10129	0.9
161.04520	2.3
163.11192	14.7
165.12784	2.2
169.12279	1.9
171.10201	2.3
179.10689	0.9
181.12273	19.7
191.01942	0.9
191.10730	1.2
197.11775	2.6
199.13329	26.2
200.13637	1.5
207.10204	36.5
208.10622	2.4
209.11774	79.1
210.12161	4.3
211.13361	0.9
225.11278	70.0
226.11630	3.2
227.12846	8.8
235.08209	1.6
243.12328	18.6
243.14668	1.3
253.09232	4.9
255.33337	0.7
390.09091	0.8
461.20139	6.9
479.21469	2.3
515.28601	0.8
653.32361	3.8
671.32507	4.2
689.33899	100.0
690.34296	14.8
721.36774	33.0
722.36902	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	721.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	0.6
57.03300	1.6
58.01144	0.6
59.01249	7.5
61.98690	2.0
62.64316	0.6
64.58780	0.5
69.03319	0.9
69.46104	3.7
69.46523	1.2
71.01245	6.7
71.04884	3.8
73.02807	1.9
75.00735	1.1
78.95778	0.9
80.02525	0.6
80.96387	1.5
81.03330	1.3
83.01258	1.2
83.04900	4.0
84.02015	0.7
85.02827	3.4
87.00723	1.2
89.02309	3.7
92.42284	0.5
95.04898	1.2
96.36303	0.5
96.95894	1.8
97.02832	3.7
97.06466	3.0
98.20547	1.0
98.95451	0.5
99.00758	20.9
101.02328	3.6
108.37949	0.5
109.06438	1.3
110.03590	0.6
113.02312	2.2
123.08034	1.1
125.02295	0.9
125.09612	8.4
127.28575	0.5
133.04945	1.5
135.08028	1.2
142.02602	1.2
145.10104	0.6
153.12770	1.0
161.04518	1.4
161.09610	0.8
163.11192	16.3
165.12766	1.8
171.10110	4.0
179.05472	0.7
181.12267	20.6
182.12593	1.0
191.01860	1.2
197.11723	1.5
199.13324	11.8
201.11220	1.0
207.10188	26.0
208.10481	1.6
209.11769	43.1
210.12035	1.9
211.13182	0.7
225.11267	37.7
226.11600	2.2
227.12799	3.2
235.08212	1.0
243.12341	23.7
244.12361	0.6
253.09183	2.9
355.28333	0.7
461.20102	2.4
479.21289	7.6
480.21100	0.9
671.33051	2.9
672.50421	0.7
689.33850	100.0
690.34106	14.8
721.37219	4.8
722.36884	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88148	0.1
59.01258	0.2
71.01250	0.1
76.02001	0.1
79.95606	2.9
84.18362	0.1
85.02827	0.1
93.03327	0.4
96.95889	100.0
97.95823	0.3
98.20552	0.2
98.95465	0.1
102.05508	0.2
120.08043	0.2
122.05992	0.2
137.96422	0.1
148.90335	0.1
152.07079	0.7
158.02414	0.1
165.01883	0.1
171.10229	0.4
176.26784	0.1
190.04991	0.4
209.11870	0.3
226.12448	0.1
227.12892	0.1
238.72839	0.1
271.02472	0.2
299.01855	0.3
314.04428	0.2
315.05096	0.3
331.73007	0.1
355.13132	0.5
356.13248	0.3
368.69360	0.1
371.01187	0.1
404.67728	0.1
413.02051	0.2
425.01868	0.2
448.15100	0.3
552.19690	0.1
582.22870	0.1
613.22656	0.1
615.26111	0.1
623.15924	0.6
721.31152	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95377	0.8
57.87527	0.9
59.01250	3.5
64.90297	0.9
65.00195	2.1
70.74164	2.1
71.01236	5.2
72.99181	1.0
73.02805	3.9
83.01262	1.5
85.02831	3.5
85.90586	1.0
87.00755	3.0
87.04423	1.4
91.47481	0.8
95.73449	1.0
96.95871	1.4
101.02287	1.3
106.39585	0.9
107.01275	3.5
110.95161	0.8
111.00762	1.5
115.03882	1.5
125.02380	1.9
131.03380	2.7
143.03381	2.1
151.00296	9.1
178.97969	2.6
179.98796	4.9
180.99547	3.1
191.01976	1.1
204.99529	1.6
218.90015	0.9
223.78366	0.9
243.01183	3.1
247.00629	2.2
255.02954	1.2
263.01236	0.8
269.99939	1.2
271.00729	3.6
287.00333	5.1
297.99344	1.3
299.01691	1.3
300.02689	3.4
313.98862	7.7
314.99698	100.0
315.99985	7.5
333.00641	7.0
366.16260	1.0
451.83536	1.1
641.11816	77.1
642.11963	8.2
721.07813	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	720.292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50677	1.1
52.86895	1.3
59.01245	2.8
69.25758	4.8
69.26183	9.9
71.01240	2.6
78.43821	1.3
80.96366	3.1
85.02820	3.8
87.00820	1.4
93.03331	75.1
94.03665	1.7
94.06486	3.8
96.95889	3.0
101.02358	1.5
106.06474	3.2
107.03644	10.5
120.04470	2.3
120.08068	2.0
122.06007	68.2
123.06315	1.7
132.04486	1.9
134.05986	5.3
136.07547	2.3
139.02626	4.9
150.05528	3.5
152.07072	100.0
153.07411	2.4
161.21242	1.4
166.04971	3.0
171.10231	2.3
174.05522	2.5
209.11833	2.7
210.09399	1.3
212.10765	3.7
223.08820	2.6
225.10144	3.2
229.14304	1.3
235.08620	2.1
236.09320	2.2
237.06653	1.6
237.10333	3.9
241.53931	1.4
249.06792	1.5
249.10303	2.0
250.07349	4.9
251.08240	1.7
251.11874	3.2
263.08276	8.3
263.12070	1.3
264.06409	1.9
264.08948	4.3
265.09750	4.9
266.10480	1.5
277.09854	8.1
278.10565	4.0
279.11401	8.4
291.11288	2.8
295.10962	2.8
296.09128	1.7
316.12094	1.8
317.12958	2.3
325.12006	3.2
327.21384	1.5
329.12924	1.8
329.16544	3.6
330.13669	5.6
331.14380	9.5
341.16516	3.0
343.10791	14.1
343.14453	3.3
345.15909	4.5
355.13492	3.0
356.11636	11.0
357.12238	12.9
357.15741	1.5
358.12430	1.6
361.22092	6.1
369.11969	2.6
371.13947	22.7
372.14597	4.4
373.15378	1.6
381.03900	1.5
384.14795	2.0
385.15393	3.5
409.24918	1.4
415.12909	18.2
416.13593	1.8
419.09705	1.7
429.14648	3.7
437.18820	2.3
450.18497	1.7
461.17410	1.8
479.21033	2.0
496.22397	5.3
507.21634	2.3
508.18512	16.3
509.19055	1.8
510.24188	2.6
537.22369	5.1
538.22900	2.5
540.21295	8.7
581.21796	10.8
582.22510	6.7
602.27008	3.4
613.24286	94.6
614.24658	16.3
620.26941	3.1
644.27765	5.4
646.24774	1.7
647.26050	3.7
688.26563	36.5
689.27112	5.7
720.29187	94.7
721.29510	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90246	0.8
59.01245	8.3
71.01260	1.3
78.95779	1.1
83.14550	0.9
85.02821	3.1
87.00725	0.9
91.15675	0.8
93.03330	49.3
94.03632	1.3
96.95879	4.2
101.02354	1.4
102.05496	3.8
106.06494	2.4
107.03652	2.7
107.04910	0.9
120.08086	24.2
122.06014	16.6
130.02861	1.7
132.04428	4.2
133.05003	1.0
134.05995	2.4
135.04387	1.4
139.02702	1.1
148.03931	1.5
150.05470	3.5
152.07083	72.2
153.07434	2.7
158.02386	10.0
160.03955	2.7
162.05487	1.1
164.07079	4.5
165.05389	1.1
171.10161	6.5
176.03462	4.2
190.05023	40.3
191.01843	1.8
191.05357	2.5
197.12970	1.2
209.02904	2.5
209.11853	5.4
210.09128	1.5
212.10707	1.5
214.12280	1.8
215.13953	1.2
223.08862	1.1
226.12366	14.5
227.12749	1.8
235.08684	0.9
237.10338	1.8
249.06616	2.0
250.07323	1.6
251.08032	1.1
258.11304	10.7
259.11621	1.1
265.09698	3.7
266.10492	1.3
267.11392	1.1
277.06342	1.2
277.09760	1.5
279.11353	3.1
293.09363	2.5
295.10696	2.8
296.11673	4.4
297.12250	2.8
323.10355	5.2
325.11929	2.8
331.14398	2.5
335.16165	2.6
340.10745	2.9
341.11264	1.7
355.12970	100.0
356.13300	8.4
357.12054	1.1
364.15448	5.9
373.15680	2.2
496.22650	1.2
538.23376	3.9
570.25940	4.3
582.22437	17.1
583.22852	2.8
614.25092	21.8
615.25494	4.4
688.26294	1.2
720.29199	18.4
721.29901	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	719.4503
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98682	4.7
70.15023	2.1
70.15300	10.1
71.00917	2.3
73.53096	2.5
78.95777	100.0
96.96832	8.0
97.96750	2.6
148.60545	2.1
152.98334	3.2
152.99490	49.5
165.11540	2.0
165.81158	2.0
171.10155	6.5
183.13716	2.4
255.23262	68.4
256.23441	5.2
327.21738	5.1
391.22607	15.0
409.23227	4.6
463.20963	6.9
535.71533	2.7
655.30841	2.7
697.91632	2.4
719.44983	44.4
720.45056	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	719.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20894	0.7
58.59160	0.7
59.01249	100.0
60.01587	1.3
60.83096	0.7
61.98706	1.6
71.12026	1.9
75.00754	0.9
75.18745	0.7
78.95771	4.9
91.03870	1.5
111.08064	0.7
152.99471	4.2
197.11757	4.3
223.13452	1.6
255.23254	4.9
259.03705	0.8
275.20282	1.7
277.21805	1.2
291.19769	2.6
293.21161	13.2
294.21674	1.9
309.20700	7.9
483.27283	1.7
585.41345	1.3
719.45593	1.4
720.46582	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00475	2.0
59.01257	21.2
70.81741	3.5
70.82078	2.2
71.01260	27.5
72.99170	1.6
73.02830	14.9
78.95776	6.1
83.01269	3.9
85.02841	3.9
89.02312	7.4
93.03355	11.3
97.02895	1.7
97.06494	3.4
101.02332	11.7
111.08083	2.5
113.02325	8.8
115.05449	3.9
119.03430	3.6
119.04916	5.7
124.90387	1.9
130.04152	1.6
131.04922	2.6
139.07552	2.2
145.06468	4.5
152.99480	3.5
161.04526	4.2
171.65332	1.8
173.06020	5.2
221.58122	1.7
248.08377	3.1
249.09161	37.1
250.09517	2.1
255.21077	3.5
261.09241	4.4
263.10760	2.7
263.23746	4.7
273.22260	15.0
277.21732	100.0
278.22095	5.1
279.10229	9.9
279.23224	4.1
291.23309	91.3
292.23663	4.9
301.21793	11.8
319.22775	33.6
320.23102	2.6
321.11392	7.8
331.22589	2.5
349.23743	3.5
423.14856	2.4
441.15668	3.4
454.12613	1.9
534.43164	1.8
701.36414	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03343	0.5
69.24178	2.3
70.36411	0.2
78.95783	0.7
93.03361	0.5
96.95893	0.7
98.19741	0.5
119.04910	1.7
121.02847	100.0
122.03191	2.5
133.06451	0.3
142.30283	0.2
143.04900	0.4
145.06528	1.3
147.04410	0.7
152.99501	0.5
161.05949	0.3
173.06079	0.2
251.10696	0.6
255.23363	0.3
277.18927	0.3
277.21750	3.1
278.22009	0.3
279.23364	0.4
297.11325	50.1
298.11685	3.7
298.14828	0.4
339.12332	0.3
354.14700	0.3
441.15103	0.4
525.55469	0.2
532.67059	0.2
555.28619	0.3
719.42297	0.3
722.74023	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.8
57.03313	2.0
59.01248	10.2
61.98703	2.8
69.03320	6.6
70.79877	1.8
71.01251	8.9
71.04891	3.4
73.02803	1.0
78.95780	2.5
79.95619	2.4
80.02559	1.4
80.96388	7.6
81.03322	3.5
81.71497	0.8
83.01263	1.1
83.04891	7.9
84.02019	1.8
85.02826	4.6
87.00733	2.3
89.02322	4.3
93.03358	1.6
94.97949	2.1
95.04916	1.3
96.95895	10.6
97.02807	1.0
97.06460	1.9
99.00719	0.8
99.04426	0.8
101.02326	6.8
111.00765	1.5
113.02337	3.1
119.03400	0.8
123.08054	1.2
124.22639	0.8
125.02331	1.0
125.05953	1.0
125.09579	2.9
135.08040	1.2
142.07867	0.7
149.09584	0.9
151.11169	3.3
152.07050	2.4
152.99544	0.9
153.12785	1.4
154.85878	0.7
161.04462	1.8
161.09586	3.9
163.11247	4.9
163.64249	0.7
164.98463	0.8
165.12766	2.8
171.10187	3.3
179.10701	9.9
181.12241	1.0
191.01953	1.9
191.10712	1.0
197.11768	87.2
198.12105	4.5
209.11769	73.7
210.12114	3.5
225.00677	2.1
227.12875	4.4
241.10770	4.7
253.09230	3.8
264.06677	0.8
314.80078	0.9
327.29977	0.7
459.18594	1.3
477.10413	0.9
477.19855	2.0
687.32312	100.0
688.33179	14.8
719.35760	22.8
720.35645	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	717.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.7
57.20358	1.8
59.01251	8.8
71.01241	6.3
71.04893	4.0
71.57602	2.0
73.02853	1.5
78.56371	1.6
85.02820	3.2
87.00737	2.7
89.02325	1.7
96.95889	3.3
97.02839	2.9
97.06449	4.4
97.48322	1.5
99.00765	18.6
101.02306	4.1
106.35481	1.6
113.02338	2.1
123.08047	1.8
125.09602	8.9
161.04485	2.4
163.11154	12.7
171.10176	6.9
181.12262	20.3
182.12682	2.2
199.13365	4.9
201.11278	3.2
207.10211	25.5
213.06860	1.7
225.09215	3.0
225.11282	34.7
235.08163	3.3
243.12355	11.8
244.12804	1.8
253.09193	5.0
255.23291	81.3
256.23694	6.4
293.21051	2.4
339.20096	2.3
346.97913	1.9
394.22632	1.8
395.44562	1.6
461.19940	2.0
479.21228	2.7
603.82001	1.8
717.44324	100.0
718.44495	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	717.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36942	1.0
57.03315	1.2
59.01249	5.1
61.88506	0.8
62.92784	0.9
65.76090	0.9
69.03312	0.9
69.52069	3.4
69.52501	3.5
71.01259	6.9
71.04882	3.8
73.02816	2.1
76.13705	0.9
85.02812	1.9
87.00755	2.6
89.02311	3.7
97.02833	3.4
97.06422	1.4
99.00755	12.5
101.02319	3.6
103.31718	1.0
104.77815	0.8
109.06464	1.7
113.02316	3.0
123.08047	0.9
125.09603	6.1
145.04919	1.0
152.99463	1.2
163.11203	7.7
171.10141	2.3
181.12248	10.8
197.11806	1.3
199.13307	12.4
207.08327	1.6
207.10208	22.2
208.10548	1.1
225.11267	37.6
226.11626	1.7
235.08192	4.9
243.12309	6.1
253.09312	4.5
255.23265	96.4
256.23618	5.3
404.71695	1.0
405.07846	1.1
461.20154	2.5
699.43524	5.0
717.44287	100.0
718.44623	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	717.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84238	0.3
54.33953	0.3
54.68149	0.3
55.01766	0.4
57.03316	1.5
58.89342	0.3
59.01249	7.8
61.98709	3.2
67.95111	0.3
69.03317	1.1
69.23470	1.1
69.23895	2.9
71.01251	5.7
72.01601	0.3
72.99191	0.6
73.02819	1.2
75.00742	0.7
78.95772	1.1
80.96410	0.4
83.01263	0.9
83.04920	0.7
84.02024	0.5
85.02819	6.5
87.00749	1.3
88.39986	0.3
89.02325	3.8
91.03870	0.4
91.35444	0.3
95.04917	0.4
96.95898	3.0
97.02827	1.0
97.06468	1.4
98.95461	0.7
99.00790	0.6
99.08067	0.3
101.02316	5.3
104.96245	0.3
111.00769	0.8
113.02336	3.4
119.03392	1.2
125.02304	0.4
125.09598	1.8
127.11176	2.6
133.04991	0.6
137.09622	1.6
143.03404	0.8
145.04936	0.4
149.04462	0.4
153.09058	0.4
155.10690	0.5
161.04485	2.9
165.12712	0.4
171.10184	100.0
172.10524	4.8
179.05505	0.6
181.12219	0.4
183.13870	1.3
185.11731	0.8
191.02040	0.5
193.12228	0.4
195.14017	0.4
197.11705	0.6
201.11136	0.7
206.62906	0.3
207.45660	0.3
209.11809	2.6
211.13330	7.4
216.22295	0.4
221.11786	1.6
223.13295	0.5
225.11383	0.4
227.12799	1.0
229.14378	5.4
235.08206	9.3
239.12776	0.9
247.20598	0.4
253.09279	15.4
254.09505	0.5
285.29767	0.4
291.19690	2.6
309.20679	10.0
310.20917	1.1
327.21756	45.1
328.22110	3.9
384.85620	0.3
407.19135	2.2
408.19540	0.5
481.31714	1.8
545.29626	1.5
546.29944	0.5
563.30682	2.4
564.31165	0.6
613.35638	1.0
631.36420	1.0
657.37360	0.6
717.28680	0.5
718.39081	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.5
62.51653	0.2
63.02271	0.5
65.00208	0.3
65.20444	0.2
68.99689	0.4
69.61941	1.6
71.01286	0.3
81.77134	0.2
85.02818	0.5
92.67271	0.2
93.03337	11.7
96.95914	0.5
98.20509	0.5
108.02050	0.3
109.02835	2.5
111.00790	0.2
117.03402	0.3
119.01334	0.3
119.04927	0.9
121.02869	1.0
124.01537	0.3
132.32657	0.2
133.02831	0.5
137.02325	1.1
139.03914	0.8
143.05014	0.4
145.02872	1.4
147.00815	0.6
147.04402	0.4
148.01558	1.3
149.02335	1.9
155.04974	0.2
157.06502	0.3
158.03725	0.3
159.04469	0.4
161.02350	0.8
163.00285	0.9
165.01912	0.6
166.09700	0.3
167.04890	0.2
168.45874	0.2
169.06520	0.6
171.04456	2.0
172.05243	0.2
173.02454	0.5
173.06062	0.3
174.03201	0.2
175.00323	2.7
176.01054	0.7
177.01773	0.3
180.89452	0.3
181.06451	0.4
183.04460	0.8
184.05196	0.3
185.06012	0.6
187.03920	1.1
189.01836	1.1
189.05444	0.3
195.04518	0.7
196.05234	0.6
197.05995	2.4
198.03178	0.3
199.03992	1.0
199.07500	0.3
200.04811	0.3
201.05594	0.9
209.06017	0.6
209.11711	0.3
210.03197	0.5
211.03944	2.2
212.04709	1.1
213.01932	0.8
213.05482	2.4
214.02702	1.2
215.03406	3.1
216.03828	0.3
217.05013	0.3
223.03990	0.9
224.04704	0.9
225.05525	5.0
226.02663	0.8
226.05986	0.5
227.03473	1.7
228.04295	0.8
229.01369	0.2
229.04959	0.4
237.05540	0.7
238.02670	0.3
239.03462	5.9
239.05713	0.4
240.04228	2.2
240.64230	0.2
241.01387	0.4
241.05014	7.4
242.02327	0.3
242.05672	1.0
243.02988	0.7
243.06433	1.1
251.03459	1.3
252.04311	1.1
253.05034	4.9
254.05714	0.9
255.02985	2.6
255.05676	0.3
255.06694	0.3
256.03769	2.9
257.04416	1.5
263.03442	0.3
265.05042	0.3
266.02249	0.6
267.02963	2.4
268.03677	1.9
269.04538	18.1
270.04916	1.7
271.02637	0.2
273.09134	0.4
275.07144	0.3
277.08762	0.3
279.02991	2.4
280.03717	1.0
281.04553	5.6
282.01938	0.3
282.05194	3.3
283.02542	2.3
283.05511	0.6
284.03241	2.7
285.04028	3.2
289.08704	1.3
291.06747	0.3
295.02463	2.1
296.03281	1.6
297.04025	17.4
298.04459	1.8
299.07224	0.4
301.08850	1.4
302.09262	0.5
303.06659	0.5
304.07388	0.3
305.08124	0.6
306.09036	0.4
307.02475	1.6
307.05646	0.4
309.04050	0.7
310.04678	0.3
312.02786	1.6
313.03363	0.3
315.06592	0.7
316.07434	0.5
317.08157	6.7
318.08743	0.8
319.06006	0.7
319.09778	0.9
320.06717	0.3
321.07568	0.4
324.02759	0.4
325.03537	2.9
327.06894	0.4
329.08234	0.6
331.06128	0.7
332.07159	0.3
333.07718	2.2
334.08301	0.7
335.09268	0.8
343.06122	0.6
344.06696	0.7
345.07697	4.0
346.08401	1.3
347.05939	1.3
347.09045	1.4
348.06308	0.9
349.07190	0.8
353.08832	0.8
357.07565	0.4
359.05612	0.6
360.06348	1.0
361.02930	0.4
361.07153	6.8
362.07962	3.9
363.08719	2.8
372.06406	0.8
373.07162	7.0
374.07706	1.5
375.04932	3.1
375.08740	0.4
376.05753	2.0
377.06607	1.0
387.05594	0.3
388.06033	0.5
389.06653	33.6
390.07281	7.8
390.15219	0.3
391.08176	6.7
391.13071	0.5
392.08466	0.5
401.06671	1.9
417.06171	9.9
418.06912	35.3
419.07669	48.2
420.07999	5.4
451.36011	0.3
455.11276	0.3
483.10693	0.5
512.11133	11.4
513.11859	13.0
514.12372	1.7
517.10260	0.4
581.13013	1.0
623.14038	100.0
624.14380	16.4
717.18158	12.1
718.18542	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	717.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25355	0.2
52.15899	0.2
52.81437	0.2
54.43164	0.2
55.97730	0.3
59.00151	0.2
59.01265	0.5
63.02283	0.4
65.00227	0.4
71.01275	0.3
71.58175	0.3
78.89364	0.2
83.59186	0.2
85.02859	0.4
93.03336	13.5
96.95919	0.4
101.02364	0.3
108.02047	0.3
109.02838	2.7
111.00796	0.5
117.03377	0.4
119.01272	0.3
119.04941	0.8
121.02873	0.9
123.00812	0.3
131.04994	0.3
133.02840	0.6
135.04364	0.3
137.02362	1.4
139.03944	0.8
143.04970	0.6
145.02875	1.6
147.00795	0.5
147.04445	0.4
148.01495	1.5
149.02347	1.6
157.70770	0.2
159.04495	0.5
161.02399	0.5
163.00317	1.2
165.01874	0.4
166.09793	0.3
167.04968	0.3
169.06537	0.8
171.04436	1.8
173.02420	0.3
174.03230	0.4
175.00298	2.7
176.01125	0.5
181.06535	0.6
183.04520	1.0
184.05176	0.3
185.06029	0.9
187.03932	0.8
188.01221	0.4
189.01875	1.4
195.04526	0.9
196.05258	0.4
197.05998	2.1
198.03081	0.5
199.03857	1.2
199.07671	0.5
200.04626	0.5
201.05518	1.1
203.03416	0.3
209.06015	0.6
210.03220	0.3
211.03915	1.9
212.04744	1.5
213.01929	0.7
213.05449	2.3
214.02675	1.0
215.03465	3.5
216.03979	0.3
217.04880	0.3
223.03986	1.1
224.04765	1.0
225.05519	5.8
226.02748	0.6
226.06099	0.6
227.03535	1.5
228.04268	0.8
229.05006	0.8
237.05464	0.6
238.02710	0.6
239.03462	6.6
240.04175	2.4
241.01485	0.3
241.05009	7.0
242.02229	0.4
242.05624	0.5
243.03006	0.7
243.06615	1.1
251.03560	1.0
252.04190	1.2
253.05042	4.1
254.02190	0.3
254.05611	1.2
255.03020	2.2
255.05699	0.3
255.06244	0.3
256.03720	3.7
257.04535	1.6
267.02982	2.9
268.03741	2.7
269.04535	20.0
270.02032	0.4
270.05084	2.0
273.09335	0.3
279.02963	2.3
280.03732	1.1
281.04532	6.4
281.07486	0.5
282.01868	0.7
282.05328	2.7
283.02527	2.1
283.05844	0.4
284.03238	2.8
285.04068	3.9
288.07669	0.3
289.08707	1.0
291.06424	0.3
295.02429	2.0
296.03201	1.7
297.04034	21.0
298.04398	1.6
299.07306	0.4
300.07681	0.3
301.08810	1.2
302.09354	0.3
303.06580	0.4
305.08224	0.7
306.09045	0.3
307.02551	1.9
309.04016	0.4
312.02908	1.5
313.03470	0.7
315.06744	0.6
316.07425	0.7
317.08148	7.5
318.08807	1.1
319.06189	0.4
319.09775	1.0
324.02917	0.6
325.03497	2.2
329.08249	1.0
331.06140	0.7
332.06876	0.4
333.07693	2.6
334.08417	1.0
335.09021	0.8
343.06317	0.3
344.06915	0.5
345.07632	3.7
346.08423	1.6
347.05356	1.4
347.09338	1.7
348.06012	0.5
349.07074	0.8
353.08859	1.0
359.05566	0.7
360.06461	1.1
361.07147	6.9
362.07855	4.3
363.08688	2.4
371.05420	0.5
372.06439	1.0
373.07166	8.8
374.07657	1.3
375.04977	3.0
375.09021	0.4
376.05701	1.5
377.06451	1.3
387.05225	0.5
388.05801	0.3
389.06659	34.7
390.07281	7.0
391.08200	6.5
392.08694	0.4
401.06522	1.9
405.06268	0.3
407.07861	0.4
417.06143	10.6
418.06909	37.7
419.07672	50.6
420.08047	4.5
455.11246	0.6
461.08813	0.6
483.10742	0.6
512.11133	12.9
513.11841	13.8
514.11914	1.5
517.10065	0.5
581.12616	0.6
623.14038	100.0
624.14349	15.8
624.22388	0.3
660.77167	0.3
691.07031	0.3
717.18121	13.4
718.18774	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	716.371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91801	0.2
58.00465	0.2
59.01255	1.3
60.01573	0.2
61.98704	100.0
68.76812	0.2
71.01266	1.0
71.58051	0.3
72.99165	0.2
78.95787	0.9
85.02853	0.3
89.02314	0.9
98.23176	0.2
101.02348	0.5
102.02634	0.2
103.90594	0.2
110.09129	0.2
113.02323	0.2
125.02358	0.3
126.81443	0.2
143.03444	0.2
152.99536	0.4
181.64565	0.2
196.48640	0.2
218.28522	0.2
235.08183	0.2
255.23273	1.7
256.23608	2.1
257.23962	0.6
257.39767	0.2
277.21857	0.5
397.13727	1.0
398.14032	1.4
399.13983	1.7
400.14178	1.0
417.15146	0.4
418.15515	0.3
499.69693	0.2
581.93707	0.2
681.92487	0.2
716.40399	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.5368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65096	0.9
53.75475	0.8
54.66999	0.8
59.01245	8.1
64.62380	0.8
69.03329	1.1
71.01253	13.3
71.46654	1.1
72.99207	0.9
73.02803	3.4
78.95778	6.1
84.30528	0.8
85.02813	2.6
88.77326	0.8
89.02319	2.6
95.01270	1.6
96.96797	1.1
101.02324	4.2
101.75529	0.8
109.75250	0.8
113.02280	6.3
129.42741	1.0
134.03645	1.1
135.04420	2.8
139.11205	1.6
143.03432	0.9
145.84277	0.9
152.99431	4.6
161.04543	1.2
190.85057	1.0
192.52223	1.1
229.20441	1.0
234.60226	0.9
237.22165	1.8
239.23811	1.3
255.23277	68.7
256.23550	4.4
267.23224	3.8
269.24854	81.5
270.25223	6.3
279.23312	9.6
280.23557	2.1
281.25101	1.1
297.24347	100.0
298.24738	5.8
309.24304	1.6
313.23923	5.2
327.25540	2.5
525.83826	1.0
702.01990	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79710	0.7
57.03325	6.9
59.01251	7.9
60.93685	0.6
61.98700	1.8
69.03329	2.1
71.01253	6.6
71.57484	0.8
72.99177	0.7
73.02812	1.1
78.95766	2.8
81.03323	1.2
83.01247	0.8
83.04881	1.8
84.38367	0.7
85.02831	2.2
87.00765	1.3
89.02323	5.0
95.04881	2.2
95.05489	0.7
96.95895	3.3
97.02843	1.5
97.06467	15.4
101.02329	5.1
101.73521	0.8
111.08024	2.6
113.02330	3.5
119.03395	1.4
123.08055	8.6
125.09611	100.0
126.09927	3.5
143.10666	1.5
152.99483	2.2
161.04456	2.0
165.12820	1.4
167.57489	0.7
169.08632	2.6
171.10231	6.3
181.12416	1.1
182.32414	0.8
187.09677	60.1
188.09966	2.1
194.52618	0.8
195.13884	0.9
197.11768	8.0
201.11235	1.0
209.11769	2.9
211.13419	1.5
215.24292	0.7
221.55449	0.9
223.13281	1.2
227.12680	1.7
235.08272	1.5
253.09299	4.6
291.19644	4.3
293.21298	1.2
309.20752	6.6
325.20062	1.1
327.22083	0.8
405.17496	4.5
423.18692	13.2
424.19250	0.8
715.39069	90.4
716.39301	17.2
726.87476	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08885	7.7
53.14123	7.5
53.43035	7.6
55.86760	8.6
59.01256	19.0
61.98666	10.3
71.01231	11.7
71.58176	11.6
78.72997	7.8
78.95786	50.1
89.02312	10.9
96.95889	13.2
101.02325	12.0
113.93919	7.9
152.99504	25.6
195.10416	10.1
255.23378	14.3
281.24829	57.2
345.02612	8.7
368.50201	9.4
397.13535	100.0
398.13980	10.7
415.14542	30.1
437.48221	9.5
679.38605	14.8
715.36560	45.4
716.37469	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.9
57.03331	3.2
58.00438	1.6
59.01250	100.0
59.29598	1.3
60.01593	1.6
61.98697	3.2
66.08768	1.3
69.03331	2.0
70.55505	4.1
71.01253	62.0
72.99183	2.2
73.02814	13.6
75.00765	1.2
78.95760	3.2
79.95592	1.8
80.96397	4.0
83.01243	8.5
85.02822	33.0
87.00760	5.2
89.02319	18.5
95.00713	1.4
95.01252	6.6
96.95894	35.3
97.02846	1.8
98.20264	2.5
99.00760	5.2
101.02325	33.3
109.06449	1.9
111.00769	4.8
113.02318	29.4
119.03401	7.5
124.01562	2.3
125.02327	4.0
129.01785	1.7
143.03416	5.8
151.07561	2.8
159.02856	2.5
161.04454	9.1
163.11095	1.6
164.98524	2.0
171.10185	18.0
179.05566	3.9
190.48645	1.5
209.11760	5.3
211.13393	4.7
235.08174	2.3
253.09334	1.5
313.03473	2.7
325.20203	4.9
381.81528	1.4
449.29153	2.3
451.99658	1.6
460.47513	1.5
467.30237	8.5
543.54156	1.5
611.34375	66.9
612.34564	10.1
629.35303	61.7
630.35541	9.4
671.36993	8.6
715.31976	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	715.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	2.3
57.03304	4.0
58.00471	2.5
59.01249	100.0
61.98699	2.9
69.03297	1.6
70.02615	4.3
70.96558	1.1
71.01254	57.7
72.99179	3.8
73.02823	12.6
78.95778	1.6
79.95583	1.5
80.96381	1.6
83.01265	8.3
85.02333	2.3
85.02824	28.9
86.00005	1.2
87.00748	5.7
89.02312	25.0
92.66268	1.1
93.03351	1.3
95.01243	7.3
96.95863	6.9
97.02828	2.9
99.00749	5.6
101.02318	32.2
101.05994	1.2
111.00750	3.3
113.02328	29.7
119.03397	9.8
124.01540	2.6
125.02378	5.2
125.09602	1.6
129.01822	2.5
131.03336	1.5
143.03375	6.5
149.09525	1.5
159.02948	1.9
161.04445	9.9
171.10179	12.5
179.05562	2.7
187.09700	1.1
188.68236	1.1
191.01807	1.3
209.11708	3.0
211.13324	1.9
225.00481	1.2
225.11375	1.2
227.12935	1.6
253.09160	1.4
267.90927	1.2
289.18103	2.6
296.70102	1.1
307.18979	1.2
325.19724	1.6
356.04697	1.0
449.29184	2.5
467.29956	6.4
468.30695	1.2
611.34326	75.4
612.34619	14.1
629.35413	70.0
630.35492	12.1
639.14740	1.2
647.94434	1.2
671.36731	6.8
715.33740	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	715.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	9.1
71.01253	7.8
71.57777	3.3
71.58134	2.7
72.99195	3.6
78.95779	8.7
82.02848	4.9
84.00809	2.5
87.05533	9.8
88.98707	3.1
89.02348	11.6
89.02818	2.6
101.07059	2.6
113.02343	4.7
119.03391	4.4
126.05497	4.9
127.05030	8.7
128.03435	100.0
129.06596	13.5
135.07088	2.5
144.07658	4.2
151.08690	6.6
153.92552	2.1
155.45082	2.5
162.03159	6.7
165.05511	2.8
166.08670	8.4
168.07823	2.5
168.11304	3.0
177.05463	5.5
183.11310	3.5
186.12437	3.4
209.09302	4.8
227.10577	2.7
239.14989	3.9
240.07657	2.7
281.16193	7.0
294.51123	2.2
299.17218	2.9
327.12485	4.3
339.12604	4.0
370.16183	13.3
374.68805	2.6
584.38757	2.5
585.63666	2.5
671.32532	81.5
672.32990	12.0
715.35010	32.5
716.35834	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	715.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94735	0.3
57.03305	0.4
58.84603	0.3
59.01250	15.9
60.01587	1.6
61.01669	1.7
68.99687	17.6
69.40048	2.9
71.01258	1.9
73.02817	0.7
80.04931	20.5
81.05313	0.4
83.01272	0.5
85.02818	2.1
94.06541	0.3
96.95908	0.4
98.63874	0.3
100.88285	0.3
101.02319	1.3
104.04950	2.4
106.06518	1.1
107.03647	2.1
108.04437	1.3
113.02369	0.5
116.04916	0.8
122.06007	17.1
123.04432	0.4
123.06398	0.4
125.63503	0.3
127.92046	0.3
132.04448	100.0
133.04799	3.6
134.05992	1.4
139.02655	0.9
144.04434	2.3
150.05516	27.7
151.05859	1.1
152.07080	53.5
153.07475	1.7
161.04437	0.4
162.05592	2.1
164.07063	0.5
188.03502	0.4
191.01881	0.6
239.11902	0.7
245.13013	0.5
255.06644	0.4
267.11337	0.5
269.10269	1.0
269.12903	0.6
271.10590	0.4
273.12582	0.8
297.12436	61.9
298.12750	5.6
315.13504	49.9
316.13727	3.7
359.12479	29.4
359.17209	0.3
360.12772	3.2
553.17865	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07969	1.5
59.01231	5.1
71.01249	4.1
71.57879	1.6
72.99184	1.5
85.02813	5.2
87.00736	1.5
89.02354	1.2
93.03350	8.2
95.01238	1.6
98.20178	1.6
101.02302	2.0
107.01254	2.1
107.04889	2.1
108.02032	2.7
109.02841	9.5
117.03358	2.5
119.01298	1.8
119.04928	1.5
121.02858	2.8
123.00754	1.7
123.04408	2.9
128.03387	3.4
133.02811	2.0
133.04898	1.8
135.00737	2.6
135.04376	6.1
136.01552	3.1
137.02348	2.4
143.04865	2.3
145.02855	1.9
148.01556	2.2
149.02333	4.9
151.00298	1.8
151.03830	1.4
155.04907	1.3
157.06461	1.6
163.00307	19.3
164.01025	1.4
165.01819	2.1
165.05476	3.4
169.12372	1.3
171.04428	7.2
175.00244	1.9
176.01044	6.2
176.90833	1.3
177.01826	1.9
183.04442	4.8
185.05980	3.1
187.03993	2.0
189.05275	1.4
195.04417	4.3
195.06509	1.6
197.05989	6.3
198.03111	1.8
199.04004	11.4
200.04564	1.6
201.05492	4.4
205.01323	1.3
209.03027	1.6
211.03937	5.8
212.04634	2.6
213.05513	6.7
215.03383	4.4
217.05003	1.7
223.03983	3.0
224.04562	2.4
225.05479	4.3
227.03445	10.0
228.04025	3.4
229.04997	6.3
239.03426	10.0
240.04076	4.0
241.05034	11.5
242.02261	1.3
242.05367	1.6
243.02831	6.4
253.04924	2.4
255.02975	10.2
256.03677	4.9
257.04541	10.1
258.05237	1.7
267.02945	32.0
268.03580	5.9
269.04504	14.8
270.01724	3.3
271.02393	6.1
274.47668	1.5
283.02490	15.1
284.03073	7.0
285.03983	18.9
295.02487	8.0
296.03210	15.3
297.04044	39.7
298.04428	1.9
300.02289	1.6
301.03561	3.0
305.07834	1.6
311.02103	4.6
312.02728	15.7
313.03555	31.4
314.03897	1.8
333.07593	2.2
339.18542	1.4
349.07123	5.9
361.07199	7.9
363.08658	4.8
377.06604	4.4
378.07339	4.0
389.06693	14.7
390.07547	2.1
391.08188	4.5
403.36728	1.5
405.06049	2.7
406.06891	21.4
407.07666	20.0
505.18579	4.0
605.15149	40.0
606.15430	4.4
609.14740	1.9
621.14386	18.7
622.14972	2.4
697.17719	3.8
715.18719	100.0
716.19019	18.6
738.21277	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	715.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02267	1.0
65.00205	1.1
71.04008	0.5
71.04314	0.8
93.03332	3.8
107.01244	0.5
108.02057	0.5
109.02845	2.5
121.02854	1.2
124.01624	0.7
129.77284	0.4
137.02319	0.5
139.03934	0.5
145.02859	0.5
147.04454	0.8
148.01572	2.2
149.02339	0.7
155.69009	0.4
163.00293	4.8
164.93192	0.4
165.01826	0.5
167.04903	0.5
169.06487	1.5
171.04407	6.7
175.00351	0.7
176.01028	0.7
179.70547	0.4
183.71582	0.5
185.05974	0.9
187.03946	1.0
189.05460	1.0
197.06027	0.8
199.03888	0.6
200.04713	0.4
201.05501	0.5
211.03944	1.3
212.04688	0.5
213.05420	2.2
215.03412	0.6
226.02861	0.7
227.03418	2.6
228.04221	3.6
229.04993	3.5
239.03430	1.4
240.04257	0.8
241.05051	3.8
242.02086	0.6
243.03047	0.7
255.02988	4.8
256.03735	2.9
257.01813	0.7
257.04553	13.3
258.05148	0.9
267.02927	5.2
269.04614	2.0
270.01816	1.1
270.05197	0.6
271.02356	2.2
283.02454	4.6
284.03198	2.0
285.04028	6.0
305.08282	0.5
312.02814	2.5
313.03528	7.2
314.04047	0.5
317.08395	0.5
332.06940	2.1
333.07813	2.3
349.07230	5.7
350.07416	0.9
360.06375	1.3
361.07156	10.5
362.07416	1.0
377.06635	25.7
378.07184	4.7
389.06647	1.1
405.06207	1.7
406.06903	99.7
407.07617	51.3
407.13336	0.8
408.07983	4.5
449.09045	0.7
621.14899	1.5
622.15729	0.5
715.18756	100.0
716.19135	16.6
716.32019	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13262	0.8
59.01244	1.8
62.43778	0.8
63.02266	1.4
69.61584	6.1
71.01253	2.8
72.99146	1.4
75.00742	2.5
85.02822	2.1
89.02323	1.0
93.03323	3.5
96.95854	2.1
98.20528	1.3
98.53893	0.8
109.02848	2.0
121.02831	3.5
124.76928	0.9
133.04967	9.9
135.00737	1.1
135.04373	1.7
137.02353	5.1
147.00783	1.1
148.01485	2.0
149.02362	5.7
150.03134	2.1
151.00201	1.0
159.04451	1.7
161.02341	1.9
163.00273	17.5
165.05441	2.5
171.04427	3.0
175.00279	3.4
175.03789	1.1
176.01074	9.1
177.01654	2.3
183.04391	1.2
187.03943	1.9
189.05473	1.4
190.99823	1.3
191.01804	1.3
195.04449	2.0
195.06529	1.2
196.05240	1.1
197.06000	2.6
199.03966	1.8
204.00554	1.0
209.02950	1.2
211.03929	8.0
212.04628	2.0
213.05487	8.4
214.02625	1.1
215.03456	7.2
217.04944	1.2
223.03949	2.2
224.04785	1.4
225.05470	2.8
226.02602	2.2
227.03563	4.2
228.04175	2.8
229.04985	2.6
239.03445	5.8
240.04239	5.5
240.07887	1.2
241.05011	14.4
242.02116	4.1
243.02971	6.6
254.02332	1.0
255.03011	7.7
255.06569	3.9
256.03775	9.3
256.07291	3.4
257.04510	14.8
267.03006	16.6
268.03564	3.9
269.04498	3.5
270.01627	6.2
270.08878	3.0
271.02383	5.3
271.09769	9.2
283.02469	42.1
284.03262	10.5
285.04007	20.1
286.04233	1.1
295.02399	3.2
301.10809	6.6
311.02005	12.4
312.02747	47.1
313.03513	76.1
314.03787	4.0
332.06754	1.0
333.07364	1.1
349.07217	6.4
359.05765	1.0
361.07068	1.5
377.06705	9.3
378.07205	2.1
406.06912	50.8
407.07559	11.5
408.08197	1.0
505.18442	1.4
553.20343	1.3
621.14545	43.8
622.15015	6.6
715.18719	100.0
716.19122	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	715.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67959	0.6
59.64982	0.7
63.02277	0.8
65.00180	0.7
68.66195	0.8
70.52800	2.0
72.02457	0.6
75.14043	0.7
83.87503	0.7
93.03345	2.8
105.62157	0.7
109.02842	2.2
121.02847	2.3
135.00752	1.9
137.02333	3.6
139.03931	1.5
147.00713	1.0
147.04373	0.7
148.01570	3.0
149.02336	6.8
159.04424	1.1
163.00273	22.6
164.00624	0.9
171.04401	3.7
175.00270	4.3
176.01077	10.2
177.01775	1.8
183.04428	1.6
185.06068	1.1
187.03944	1.6
189.01875	1.1
189.05513	0.9
190.99789	1.5
195.04453	1.9
196.05151	1.0
197.06003	1.9
199.03987	2.7
200.04572	0.7
204.00633	1.9
206.69595	0.7
211.03954	7.4
212.04730	2.1
213.05489	6.5
214.02579	1.2
214.05849	0.8
215.03461	8.6
217.04990	1.2
223.03961	0.8
224.04572	0.9
226.02661	1.2
227.03430	3.0
228.04152	3.1
229.05057	3.2
239.03424	4.9
240.04242	3.7
241.05008	10.2
242.02145	3.1
242.05188	0.7
243.02931	4.8
251.03517	0.9
255.02983	7.6
256.03748	10.7
257.04492	14.5
258.04660	1.2
266.02130	1.6
267.02963	17.2
268.03622	3.6
269.04434	2.4
270.01639	7.2
271.02426	5.0
283.02463	44.0
284.03149	11.8
285.00934	1.3
285.04028	19.8
286.04404	1.4
295.02484	2.9
296.03018	0.9
311.01947	15.7
312.02731	58.2
313.03510	91.7
314.03857	7.0
325.03625	0.7
325.10068	0.8
349.07175	3.7
360.06317	1.0
377.06653	4.0
378.07294	1.3
406.06897	48.2
407.07437	12.1
475.96054	0.7
479.32880	0.8
621.14545	38.9
622.14874	6.3
642.45856	0.7
714.47345	4.3
715.18762	100.0
716.19086	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74114	0.8
59.01254	100.0
69.56880	0.7
71.01266	1.1
71.07594	1.5
73.02826	0.9
78.95787	4.9
80.20165	0.6
82.20271	0.7
83.32360	0.9
121.10149	0.7
149.09641	6.5
152.99544	3.3
255.23395	3.4
256.23688	1.3
277.21780	2.2
311.59399	0.9
419.89453	0.8
433.17441	0.8
435.57013	0.8
523.38428	1.4
550.13434	0.8
605.42480	4.0
623.43359	1.1
635.28876	0.9
653.44214	7.0
713.49731	1.1
714.50183	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.5213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66230	1.1
63.13308	1.2
71.57559	2.1
77.37692	1.0
78.95779	12.4
93.03345	1.2
96.96847	2.3
134.44946	1.0
136.93332	1.2
141.12776	6.9
152.99477	5.7
155.14330	2.4
159.10155	5.1
160.25690	1.1
183.89882	1.0
203.28561	1.3
241.01183	3.2
249.22160	8.9
253.08678	3.0
255.23380	6.9
256.23849	1.4
277.21732	3.2
278.22195	2.1
279.23224	2.7
295.22778	100.0
296.23154	7.8
313.10712	1.6
345.45126	1.0
346.02994	1.1
479.25769	1.3
713.38940	8.5
713.49500	2.4
714.38898	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4638
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01589	1.6
68.12026	0.7
71.05741	1.5
71.06087	1.4
78.95786	2.8
79.93996	0.8
122.74426	0.8
141.33392	1.0
149.09642	5.7
152.99460	0.9
234.97139	0.8
255.23271	1.5
279.23373	1.4
523.38373	1.2
537.55969	0.8
541.32202	0.8
605.42352	2.7
616.92871	0.9
653.44189	4.3
713.49506	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	713.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57473	3.0
54.69185	3.2
59.00988	3.0
59.01252	16.8
71.01268	16.7
71.35164	7.1
73.02834	3.8
78.37589	3.2
78.91369	3.0
87.00768	3.9
89.02317	14.9
97.61135	3.5
101.02341	16.8
113.02340	5.1
119.03389	6.4
125.02338	4.3
161.04462	5.8
171.77275	3.3
182.71556	3.3
226.51808	3.8
235.08295	6.1
239.27036	3.8
241.08626	3.2
279.23288	51.9
280.23923	5.4
329.86359	3.5
397.13501	100.0
415.14624	23.3
506.94952	3.7
543.65521	4.5
677.37994	5.4
713.35077	26.9
714.36194	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96202	0.6
59.00984	0.8
59.01253	10.0
65.79176	0.6
71.01253	7.7
71.58046	0.6
71.58436	0.8
71.77720	0.6
73.02811	2.3
78.95763	0.8
83.01245	1.4
85.01571	0.7
85.02390	0.8
85.02827	7.0
87.00739	1.2
89.02301	2.0
90.59895	0.6
95.01246	0.9
96.95860	1.8
99.00748	1.2
101.02329	3.8
107.04890	3.3
109.02836	2.0
113.02307	3.0
122.03630	4.6
129.01839	0.7
131.08589	1.4
135.04410	64.4
136.05243	8.3
137.02437	0.6
137.05998	2.9
143.03386	0.7
147.04453	1.5
148.05200	4.1
149.05954	2.2
154.02605	1.6
159.02939	1.0
159.04378	1.6
160.05136	1.9
161.04485	7.6
161.05786	0.9
164.04698	8.1
171.08028	1.5
173.05937	0.9
174.06767	23.3
175.07545	7.6
176.08192	1.3
188.08424	0.8
189.09097	5.1
190.09828	0.6
191.01866	1.8
203.05496	1.6
209.03011	1.3
229.16052	0.6
231.13940	1.1
236.63005	0.6
241.15956	2.4
244.14641	5.6
245.15424	2.3
257.15479	1.4
258.16220	100.0
259.16974	95.0
260.17343	8.6
263.16486	1.7
273.14957	12.9
274.15225	1.4
284.08987	0.9
285.18597	1.0
291.16016	7.4
301.18060	3.6
314.04276	0.6
321.73438	0.6
326.09973	1.9
403.21252	7.3
421.22247	4.2
463.23340	57.0
464.23694	7.7
581.25928	0.7
669.27808	0.8
703.02887	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66298	0.8
55.01750	1.8
56.32179	0.8
57.03310	1.0
57.39400	0.8
58.00449	3.1
59.01251	48.2
68.99658	0.9
69.46098	6.6
71.01254	29.1
71.04891	4.6
72.99175	2.2
83.01251	1.8
85.02824	8.6
87.00721	2.7
89.02314	31.1
91.01767	2.0
93.17455	0.8
95.01242	3.2
101.02319	16.0
107.01303	1.0
108.02055	3.5
111.00704	1.3
113.02323	8.9
115.03896	2.4
116.92718	1.6
119.03391	11.9
123.00778	2.1
123.04407	15.0
125.02326	1.7
131.03374	1.8
133.04907	1.5
135.00737	5.2
136.01530	1.0
143.03369	1.4
146.03712	1.1
151.00281	1.4
151.03935	1.4
152.01027	2.5
155.07051	1.0
159.82307	0.9
161.04556	1.2
161.05939	3.4
162.06726	1.3
166.02597	1.9
167.03409	30.1
169.66328	0.9
177.05365	1.0
178.06270	12.4
179.05499	2.2
185.11588	0.8
191.01897	0.9
191.03456	1.1
193.08641	15.8
206.05785	28.1
207.06160	1.5
209.02864	2.1
209.04485	4.5
213.83829	1.0
216.88492	0.8
221.08138	70.9
222.08450	4.5
233.61424	0.9
265.07101	7.0
273.96021	0.8
274.72070	0.9
277.09186	5.1
295.06943	1.4
295.10339	29.9
347.02762	0.9
386.36603	1.0
401.14606	1.5
427.12357	2.6
445.13474	100.0
446.13965	8.3
533.16748	10.6
607.18237	1.4
713.22913	29.3
714.23199	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	713.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00333	0.6
59.01246	4.0
61.98699	4.9
62.61467	0.8
71.01276	2.9
71.57645	1.3
73.02827	0.8
78.95847	0.9
78.98510	1.0
79.95636	1.5
80.96387	6.1
85.02821	4.9
89.02365	1.8
93.03340	34.5
94.03730	1.0
94.98006	1.5
96.95914	2.8
105.01866	0.8
115.16659	0.7
121.02845	0.9
123.04443	2.9
133.02838	1.7
136.07584	1.7
145.02919	2.9
147.02966	0.9
161.04872	0.7
163.00362	1.1
164.98578	1.2
169.06552	0.9
171.04459	3.3
183.04602	0.8
190.05054	0.8
191.01967	2.4
197.06104	0.8
203.07066	2.3
209.11880	0.8
211.03957	2.6
212.04756	2.4
223.04073	0.8
224.04790	2.5
225.00720	2.0
227.03429	4.8
228.04222	4.2
229.09843	2.4
239.03462	4.0
240.04247	2.4
241.04927	1.2
243.06683	0.9
252.04276	3.4
253.04985	2.0
255.02986	5.1
255.06564	4.6
256.03769	2.4
257.04428	2.4
267.03018	4.4
267.06555	4.6
268.03766	11.7
269.04407	3.6
271.06131	30.6
272.06509	2.7
283.06143	15.2
284.03537	0.8
284.06543	1.8
295.02533	0.8
297.04068	2.1
305.08292	0.9
311.05582	0.8
317.08160	2.3
327.68570	0.8
333.07709	16.9
334.08102	2.7
335.12540	3.1
339.13339	1.0
346.08646	1.8
357.16916	0.7
361.07159	27.2
362.07715	4.7
377.10263	5.3
378.10611	1.1
389.06659	67.5
390.07339	30.1
391.07819	3.5
402.96106	0.7
404.09042	28.8
404.14404	1.4
405.09778	100.0
406.10162	10.5
447.10727	1.3
713.20734	88.4
713.30426	5.3
714.21033	19.4
714.32666	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	711.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28661	3.1
50.55490	3.0
58.97466	3.4
59.01254	88.1
65.93104	3.7
69.38480	4.8
69.38883	29.3
71.01260	42.4
72.99170	5.6
73.02827	5.1
78.84676	3.1
78.95783	12.8
83.01241	4.8
85.02835	7.3
87.00772	7.4
88.98666	4.8
89.02316	43.8
92.30225	3.6
97.02847	6.8
100.68668	4.0
101.02321	34.4
113.02355	15.9
118.97654	4.0
119.03421	15.7
123.01878	4.4
125.02373	7.5
127.00365	3.5
143.03391	6.6
148.36909	3.4
152.99518	11.9
161.04503	8.9
179.05530	5.7
235.08195	13.1
253.21745	100.0
254.22054	7.0
277.21628	4.1
305.08746	4.6
395.17361	3.6
397.13513	99.2
398.13928	8.4
415.14502	35.8
563.26514	4.6
738.80835	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	711.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82393	0.5
59.01249	100.0
60.01571	1.2
69.81287	3.0
71.01250	3.6
73.02836	1.3
83.01279	0.8
85.02808	2.7
89.02341	0.7
95.91771	0.5
96.95911	1.2
99.00770	0.7
101.02334	2.4
113.02341	2.2
127.36811	0.5
136.48599	0.5
137.49197	0.6
140.32101	0.5
141.01653	0.6
150.16595	0.5
151.00287	0.9
159.30751	0.5
161.04477	1.5
161.68831	0.5
269.10339	4.8
300.02878	1.6
301.03534	2.0
311.11346	2.9
387.14178	0.6
440.47940	0.6
505.10059	1.3
643.16943	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82490	0.5
58.00149	0.5
59.01250	100.0
60.01574	0.6
68.86991	0.6
70.00762	2.6
70.01130	0.5
71.01241	3.2
73.02824	2.1
75.08557	0.5
85.02831	2.1
86.49559	0.6
87.54486	0.5
94.48504	0.5
95.01215	0.7
101.02315	2.9
113.02321	1.2
161.04486	1.7
163.00732	0.5
184.69998	0.6
199.58817	0.5
200.14909	0.5
226.13078	0.6
234.96202	0.6
269.10284	14.8
270.10623	1.1
306.10065	0.5
311.11356	6.3
328.37393	0.5
342.69006	0.5
432.09119	0.5
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
59.01245	1.5
61.40466	0.6
63.02266	1.5
64.01118	0.7
65.00191	2.3
68.91453	0.7
70.37653	2.7
70.57437	0.7
71.01273	0.8
83.01265	2.5
85.02824	1.4
85.33777	0.7
88.98711	1.3
89.02319	1.5
93.51327	0.7
96.95892	4.9
99.84180	0.6
101.50764	0.6
107.01285	6.7
108.02090	0.8
109.02837	0.8
121.02843	6.7
148.01602	1.1
151.00266	28.4
152.00632	0.8
163.00278	2.0
169.01324	2.6
178.99783	12.9
191.01932	1.1
201.05746	0.9
211.03935	1.0
226.02541	0.8
227.03400	1.6
229.05084	0.8
243.02983	6.4
245.04472	2.1
254.02174	1.2
255.02960	19.6
256.03412	1.2
271.02463	38.8
271.05386	2.0
272.02917	3.9
273.03918	1.7
299.01855	1.6
300.02734	84.5
301.03485	100.0
302.03961	5.8
330.63745	0.7
341.07101	0.7
463.08804	22.1
464.09244	2.0
505.09857	97.5
506.10107	13.2
583.53882	0.8
667.14886	2.6
668.15808	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02291	0.7
65.00187	0.8
69.33680	0.5
71.00864	0.6
71.06115	1.2
72.99190	0.6
79.43360	0.6
107.01289	1.9
109.02854	1.1
118.10242	0.5
121.02884	0.7
131.54933	0.6
133.02898	0.7
151.00281	7.1
165.25345	0.6
171.04404	0.7
175.00310	0.7
178.99791	1.6
183.04581	0.7
199.03970	3.3
201.01767	1.3
215.03471	1.4
226.02757	1.4
227.03534	3.2
243.02991	5.1
254.02348	0.6
255.02943	1.6
271.02478	61.8
272.02811	5.1
299.01962	100.0
300.02582	16.6
301.03528	32.2
301.89847	0.6
302.03894	2.4
313.03482	1.0
315.36420	0.7
343.04446	0.8
462.08054	18.4
463.08780	12.2
464.08850	1.3
505.09891	13.8
506.10074	1.5
547.11096	0.8
625.13922	1.0
667.15131	90.4
668.15576	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	709.4869
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47808	3.9
56.79051	3.6
59.01243	9.4
71.01254	4.8
72.40804	3.6
73.85378	4.3
75.31985	3.2
78.95776	52.0
81.03339	30.4
83.04902	97.8
84.05269	4.9
95.04939	5.3
96.95904	4.2
96.96822	6.0
98.02358	7.9
98.19771	12.9
112.07563	6.9
113.87300	3.5
115.93449	3.5
125.07122	9.7
126.05460	6.1
152.99480	34.8
171.00528	14.8
207.14948	8.1
224.17661	20.2
225.16023	44.2
229.14404	32.0
229.77548	6.4
242.18565	5.6
297.11374	7.3
333.23178	5.1
334.73044	4.5
341.29028	5.0
362.14819	3.7
450.34473	12.1
451.33105	26.5
452.33298	6.2
453.33655	4.6
481.21729	5.9
559.39423	4.8
577.40259	7.5
578.39142	6.9
595.41467	7.1
646.44751	9.8
647.44696	4.3
655.44904	5.7
664.46539	9.7
665.49500	9.3
673.46594	57.8
674.47095	8.3
675.48077	62.2
676.48315	45.1
677.49756	29.7
681.48853	7.0
691.47650	100.0
692.48010	12.7
709.26428	10.2
709.48163	27.7
710.48627	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	709.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19338	0.7
53.23380	0.5
55.01749	0.9
56.89708	0.5
57.03306	2.0
57.53145	0.5
58.66314	0.5
59.01027	0.6
59.01255	6.1
63.01780	0.6
63.10728	0.7
68.02422	0.8
69.79724	0.6
70.34986	2.0
70.35366	1.2
71.01250	6.1
72.99171	0.5
73.02808	2.5
78.95779	7.8
78.98425	0.6
80.96384	2.5
81.03336	1.2
83.04884	2.2
85.02843	1.6
87.00777	2.2
89.02305	3.2
95.04929	1.3
97.02827	0.6
97.06458	7.4
99.00752	0.9
101.02340	4.4
109.06460	0.8
113.02296	2.6
123.08056	0.6
125.09610	1.1
133.10127	0.9
149.09584	1.2
151.11189	24.5
152.11490	1.3
152.99487	8.9
155.10675	0.9
161.04443	1.3
169.12256	55.7
170.12619	2.6
171.10150	2.0
181.12349	1.1
195.10223	3.3
197.11768	0.8
199.13400	1.1
213.11267	10.4
225.11368	3.3
225.52847	0.7
235.08186	1.8
243.12259	2.5
253.09206	3.6
255.23248	9.5
256.23688	0.9
277.21710	66.4
278.21988	5.8
356.47281	0.6
379.11560	1.2
431.19110	2.6
449.20279	3.1
473.17310	0.8
561.75677	0.7
691.38080	1.0
709.41443	100.0
710.41797	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.8
59.01255	8.3
61.98689	0.7
64.74309	0.5
68.02415	1.5
69.03330	0.6
70.86971	1.2
70.87313	0.7
71.01254	7.6
73.02816	1.5
78.95779	5.2
79.95621	0.8
80.96397	3.3
83.01259	0.9
83.04884	0.9
85.02811	2.0
87.00763	0.9
88.98686	1.3
89.02322	4.0
94.97929	1.0
95.04901	1.0
97.02848	0.7
97.06469	3.5
101.02309	5.1
103.15699	0.6
113.02315	2.3
119.03366	1.5
125.09638	0.8
140.26909	0.6
151.11189	14.1
152.99530	6.5
161.04489	1.1
166.09755	2.9
169.12253	100.0
170.12572	4.2
171.00598	0.6
171.10162	1.2
181.12422	0.8
185.11746	0.7
195.07372	0.5
195.10292	2.5
199.13112	0.6
207.10156	0.9
211.13414	0.8
213.11263	13.7
225.00801	0.7
225.11267	2.3
227.12024	0.6
235.08255	1.9
243.12344	1.0
253.09204	3.6
255.23297	7.0
256.23633	0.7
277.21732	25.3
278.22137	2.7
363.02719	0.5
377.65723	0.5
379.11652	1.1
382.19989	0.5
431.19238	3.0
437.86871	0.5
449.20309	9.2
450.20575	0.6
453.15155	0.7
483.27271	0.8
691.39203	0.7
709.41467	87.6
710.41840	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	709.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29263	0.5
50.38001	0.6
52.86788	0.4
59.01252	1.0
60.95800	0.5
62.23280	0.4
63.96111	1.3
64.96871	0.5
69.03349	0.5
70.91832	0.7
70.92170	0.9
71.01250	8.2
73.02821	1.8
78.98461	6.7
79.95604	11.8
80.96387	78.2
83.75725	0.4
85.02830	2.9
87.00738	2.3
94.97959	17.4
95.01379	0.4
96.95896	1.4
97.02834	1.7
99.00766	0.6
101.02332	2.8
106.97968	3.0
122.97449	2.9
125.02331	3.5
127.03918	1.0
134.97491	5.4
136.99040	1.7
148.99026	6.1
151.97781	0.4
152.98538	6.6
164.98550	12.7
171.10173	2.0
206.99562	2.7
225.00690	17.3
226.00952	0.5
255.23227	1.4
255.25661	0.7
434.88745	0.5
453.14313	3.0
537.27325	1.4
709.38354	100.0
710.38727	15.3
716.52533	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54599	0.8
56.39212	0.7
57.03328	1.4
58.00463	1.3
59.01255	19.3
61.47373	0.8
69.03333	1.9
71.01257	15.1
72.68055	0.8
72.99199	2.1
73.02831	2.3
78.95786	4.6
83.01289	2.0
85.02827	4.5
87.00771	3.7
89.02324	13.3
97.02816	2.4
99.08058	1.8
101.02324	10.6
113.02316	6.0
113.09620	1.3
116.92755	6.2
119.03397	3.6
121.02834	1.4
125.02335	2.9
125.09550	1.2
129.09106	1.6
139.11174	3.2
141.32259	0.8
143.03381	1.5
146.97115	0.9
151.11270	0.9
152.99466	2.4
161.04482	2.4
165.12790	1.1
169.12196	0.8
171.10201	10.3
175.68315	0.8
179.05560	4.0
180.99187	0.7
181.12321	2.3
183.13779	1.4
185.11816	0.8
193.12254	2.8
197.11787	3.6
199.13335	1.4
208.57861	1.1
209.11874	1.8
211.13365	9.3
212.13783	1.2
229.58229	1.2
235.08250	2.9
253.09229	1.6
263.07831	1.6
275.20349	1.0
293.21268	10.8
311.22293	100.0
312.22632	8.4
325.20074	1.4
379.12122	1.1
381.13351	1.8
397.13507	21.6
415.14587	23.0
416.14816	1.8
421.77646	0.8
463.23792	1.6
709.35669	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	709.365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	51.9
59.78695	5.1
61.98702	6.5
70.48242	18.7
71.01258	21.9
78.95779	19.1
84.75301	6.4
87.00782	10.2
89.02318	26.8
96.95936	9.6
99.19582	5.8
101.02327	20.2
113.02348	11.9
124.29568	6.2
125.02312	9.8
131.04555	7.5
135.98857	5.9
146.62419	5.2
152.99506	14.5
160.26691	6.0
173.87085	5.0
189.01489	5.2
235.08116	9.0
251.20152	74.5
309.20758	6.0
325.20352	5.8
397.13519	100.0
415.14499	38.5
596.48187	6.6
677.34180	5.8
717.89368	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	709.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17430	0.6
57.03327	0.6
58.75635	0.7
59.01247	6.6
63.23763	0.7
64.90728	0.9
66.32811	0.7
67.06691	0.5
68.25750	0.6
69.03326	1.7
69.54716	1.9
69.55145	2.8
71.01257	2.6
72.99181	2.1
75.00745	22.0
78.95770	4.4
80.96380	1.1
83.01244	0.7
83.04906	1.0
85.02831	6.4
87.92399	1.7
89.02332	1.7
93.03325	1.0
95.04909	0.7
96.95888	1.3
96.96842	0.8
97.02823	0.9
101.02323	1.6
103.91912	7.2
104.92688	5.0
106.94244	1.2
111.00777	1.0
113.02302	0.7
117.01772	0.9
123.94554	1.0
124.96831	0.8
127.06696	0.9
127.07545	6.0
130.94258	0.8
133.04987	4.3
135.08008	0.6
137.09584	1.3
147.02872	0.7
152.07063	1.1
154.97963	0.6
163.11177	2.6
163.61417	0.6
164.96335	0.9
165.11359	0.9
165.12761	18.0
166.13123	1.2
167.71616	0.6
171.10202	1.9
179.10701	0.7
181.12244	1.3
183.01021	0.8
185.11787	0.7
191.01871	2.4
191.10617	0.6
193.74211	0.8
197.11755	0.6
199.00624	0.7
201.02084	3.2
207.10135	0.7
209.02907	1.1
209.11784	1.6
237.05795	3.8
239.07390	7.7
241.05489	0.7
243.03195	0.8
249.02214	0.8
251.03766	1.6
253.05344	3.9
254.05905	0.8
261.10986	1.0
263.03781	4.8
265.05319	28.9
266.05533	1.9
267.03360	0.6
267.06934	0.8
269.04880	1.0
279.03351	1.8
281.04858	2.5
283.06369	62.3
284.06760	3.7
291.03201	0.9
293.04739	3.9
297.04367	1.6
309.20697	2.3
310.21078	2.4
311.05856	11.2
311.21341	1.8
312.06653	3.2
323.02109	1.0
327.21680	1.0
343.21143	0.8
351.13004	0.8
381.13684	100.0
382.13901	7.3
399.13986	0.7
413.12704	10.9
414.13217	1.0
417.14914	0.8
476.18747	1.4
477.19022	3.4
487.34662	0.8
489.34091	2.0
499.11856	0.7
507.35950	0.8
549.36243	0.9
679.11646	0.8
709.35736	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	709.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	2.3
59.01252	100.0
61.98695	2.7
62.06796	1.9
71.01257	7.9
71.58192	3.0
71.58555	2.4
73.02810	3.9
73.15274	1.7
78.34294	1.7
80.96391	2.0
83.04894	2.7
84.02049	1.8
85.02813	4.4
87.00761	2.1
89.02322	5.7
96.95887	13.6
101.02320	5.6
101.50371	1.7
109.06466	3.8
113.02346	4.0
137.09624	2.9
145.04956	2.2
152.99477	2.0
161.04454	2.0
171.10147	7.2
179.05499	2.1
181.08612	2.1
183.13834	9.2
197.11760	8.3
199.09686	24.3
200.69852	2.0
207.10226	14.1
209.11748	6.5
211.13341	76.8
212.13580	4.2
225.11247	6.9
235.08215	5.8
251.20103	6.5
253.09320	10.7
274.62299	2.4
309.20840	3.0
397.13507	7.8
401.23535	3.9
435.18762	3.3
447.22357	4.2
476.78915	1.8
593.29449	4.0
611.30469	2.4
629.31689	2.9
637.32001	3.6
655.32947	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	709.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.4
57.03336	0.4
58.00463	1.2
59.01249	24.5
70.92807	0.5
70.93144	0.4
71.01253	13.0
71.04914	0.7
72.99190	1.4
73.02830	0.6
83.01263	1.0
85.02813	2.8
87.00746	0.8
89.02313	16.1
90.02653	0.3
90.92803	0.2
93.03334	0.4
95.01272	1.0
99.00777	0.3
101.02313	7.9
113.02329	5.5
115.03877	0.9
117.03345	26.7
118.03679	1.0
119.03391	6.7
119.04893	5.5
120.05272	0.3
123.04413	0.9
131.03418	0.6
133.06490	0.5
139.03978	0.5
143.03409	0.8
145.02850	100.0
146.03189	4.0
146.05020	0.3
147.04378	0.7
149.04514	0.3
151.08160	0.3
161.04491	0.8
161.06012	0.8
163.03909	7.0
171.08043	0.4
179.05475	1.2
189.09146	6.5
190.09462	0.3
191.26973	0.3
205.05025	0.7
217.08643	23.3
218.08957	1.2
243.06563	2.9
251.72395	0.3
259.64825	0.2
261.07678	3.0
266.79932	0.2
277.09271	1.5
295.10333	38.0
296.10614	2.0
314.19699	0.2
397.14914	0.3
423.12933	2.0
441.13998	43.7
442.14319	5.1
515.50128	0.3
529.17157	4.4
530.17523	0.6
633.25488	0.3
654.72565	0.3
709.23407	14.3
710.23596	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	707.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35130	0.3
56.76655	0.3
59.01250	100.0
60.01576	0.8
64.47806	0.4
67.05026	0.3
70.81776	0.3
71.01255	0.7
71.57240	0.5
78.95789	0.8
80.06438	0.4
96.95936	0.4
150.06836	1.3
197.11827	0.7
211.13393	1.4
277.21857	1.2
277.37549	0.4
291.19662	0.6
297.72852	0.3
307.55984	0.3
309.20920	0.7
325.18472	0.6
342.22076	1.4
586.65771	0.4
606.18634	0.4
707.41937	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73985	1.1
59.01238	3.1
65.91217	1.1
71.45528	2.8
78.95760	1.4
85.02808	3.7
96.95875	4.0
97.02832	1.2
110.66974	1.1
113.02383	1.1
122.05970	1.8
132.04460	5.7
151.00275	2.2
152.07079	2.3
165.01814	6.8
165.76668	1.1
179.01335	1.2
191.01877	1.4
198.03185	1.2
207.42636	1.3
209.11797	1.6
211.04002	1.6
211.27856	1.2
226.02615	3.6
227.03438	15.5
228.04012	2.5
243.02881	3.2
254.02135	11.8
255.02959	35.6
256.03668	6.7
257.04150	1.2
269.04538	23.6
270.04892	2.0
271.02502	2.7
271.05908	1.4
274.21039	1.1
277.28992	1.2
283.02454	28.0
284.03220	23.7
285.03705	2.3
297.04019	13.1
297.12317	1.9
298.04807	24.4
299.02103	8.2
299.05557	100.0
300.02670	2.5
300.05914	7.3
314.04382	7.3
341.06552	2.6
364.84879	1.3
445.07956	1.5
460.10229	6.3
461.10767	3.1
503.11935	44.8
504.12262	4.3
526.41156	1.2
539.23572	1.2
665.17236	32.9
666.17877	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	707.43
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01941	1.5
71.56027	1.3
78.95778	100.0
81.32853	1.5
96.96823	9.1
109.97410	1.4
110.98457	2.8
127.14062	1.5
134.98485	1.6
152.99492	69.5
173.97035	1.6
192.38077	1.6
195.13919	2.0
235.16983	3.7
247.78514	1.9
275.20145	11.1
277.21732	85.1
278.22052	8.5
279.23322	28.3
280.23633	2.8
289.26212	1.6
293.21259	25.9
294.21585	2.7
307.80539	1.6
413.21063	24.0
414.21262	2.1
429.20432	21.9
431.22073	9.3
447.21420	5.5
707.42969	21.0
708.43579	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	707.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
60.97381	7.9
62.20414	7.3
70.25655	34.4
73.53967	8.6
78.95783	100.0
96.96809	8.4
98.20409	8.7
104.50431	6.8
152.99484	74.4
161.18492	7.4
174.58501	7.9
221.04485	7.5
275.19910	12.7
277.21671	79.2
293.21176	25.8
397.22833	9.5
413.20923	32.7
429.20374	36.8
431.21909	14.8
447.21118	10.4
486.36124	8.4
707.43164	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01735	0.9
57.03323	1.4
58.00465	0.8
59.01255	21.5
67.01765	0.7
67.49545	0.5
69.03308	0.6
69.33070	1.3
69.33469	5.1
71.01261	17.8
71.04901	5.5
72.99186	1.9
73.02825	2.9
78.95776	3.8
81.03378	0.9
83.01262	2.6
85.02824	4.1
87.00766	3.8
89.02320	17.6
93.03342	0.6
95.01276	1.5
95.04922	0.6
96.95894	4.1
96.96858	0.8
97.02858	2.6
97.06477	2.2
99.00719	0.9
99.04438	0.5
101.02326	14.9
107.04910	0.7
111.04497	0.5
113.02344	8.0
119.03418	5.1
121.02840	1.0
121.10133	3.1
123.08031	1.4
125.02348	4.0
125.09649	3.3
128.03427	1.0
133.04950	0.8
137.09633	6.8
143.03380	1.7
143.04497	0.8
147.53058	0.5
152.99486	2.2
160.00717	0.7
161.04466	5.0
167.04703	0.6
171.10191	16.0
172.10553	0.8
177.03528	0.6
179.05598	4.1
183.96823	0.5
184.94217	0.6
185.11800	6.0
197.11729	0.8
221.06572	0.8
233.15376	0.6
235.08231	4.3
235.17026	1.0
237.14923	1.2
245.51982	0.6
247.20790	0.8
251.16490	16.4
252.16948	1.1
253.09317	4.2
263.07758	0.7
273.18582	1.4
277.21582	0.6
287.07684	0.6
291.19675	30.9
292.20065	2.7
305.08792	1.0
306.07672	1.9
307.08066	1.0
309.20721	100.0
310.21066	8.3
323.09943	1.6
397.13538	32.7
398.13959	2.4
415.14606	29.3
416.14880	1.2
625.25378	0.7
707.34418	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	707.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78176	0.5
55.01755	1.1
57.03301	2.3
58.00464	1.6
59.01252	23.9
59.68317	0.5
65.10384	0.6
68.42275	0.5
69.03327	0.9
69.25456	6.5
71.01257	20.7
71.04900	7.0
72.99183	2.2
73.02831	3.4
78.95781	5.1
81.03347	1.1
83.01248	2.5
85.02817	4.8
85.77560	0.5
87.00744	3.5
89.02323	18.9
93.03394	0.6
95.01261	1.2
95.04951	0.8
96.95869	2.7
96.96820	1.1
97.02837	2.7
97.06465	2.1
99.00782	0.8
101.02328	16.0
107.04907	1.2
110.95404	0.5
111.00715	0.8
111.04403	0.5
112.93610	0.7
113.02338	8.0
119.03406	5.0
121.10139	3.4
124.01585	0.7
125.02346	4.2
125.09615	4.3
131.03328	0.7
137.09645	6.1
137.10638	0.9
139.11185	0.6
141.12781	0.6
141.47395	0.5
143.03392	2.8
143.04425	0.9
145.02794	0.5
147.46599	0.5
152.99474	3.7
161.04506	3.8
162.41072	0.5
171.10191	13.7
174.01688	0.7
179.05548	3.3
181.12279	0.9
185.11755	5.8
197.11752	1.4
207.13756	0.6
209.11821	0.9
211.13318	1.4
219.13806	0.8
221.06439	1.1
235.08186	4.5
235.17020	0.8
237.14935	1.3
247.20746	1.0
251.16498	17.9
252.16734	0.9
253.09232	4.2
273.18765	0.7
277.09308	0.8
287.07715	1.0
291.19669	32.6
292.19931	1.9
305.08789	1.1
306.07544	0.8
309.20715	100.0
310.21033	6.2
336.55936	0.6
369.37195	0.6
379.12314	0.6
396.22745	0.5
397.13513	30.9
398.13831	1.2
401.21832	1.5
415.14572	27.9
416.14828	1.9
443.22668	0.7
625.26550	2.2
707.36176	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44556	0.5
55.01742	0.6
57.03309	2.2
58.00453	1.5
59.01249	29.2
69.03328	3.7
69.58047	3.3
71.01254	24.7
71.01556	0.3
71.01659	0.7
71.04894	0.7
72.01596	0.6
72.99171	2.6
73.02818	4.2
75.00739	1.1
78.95767	1.3
80.02543	0.5
80.96407	0.9
81.03329	1.7
83.01263	3.3
83.04893	1.1
84.02024	0.6
84.94305	0.4
85.02815	5.9
87.00749	5.5
89.02315	23.0
92.00877	0.4
95.01245	1.9
95.04892	1.0
96.95870	0.9
97.02823	12.1
97.06467	1.0
99.00757	1.8
99.04364	0.6
101.02318	19.7
108.20426	0.4
109.06461	1.8
111.00780	0.9
111.08048	1.4
113.02326	9.2
115.03871	0.8
119.03393	7.6
119.08562	1.2
121.10168	0.5
123.04379	0.9
123.08009	0.6
125.02326	6.7
125.09602	2.0
126.15912	0.5
127.11134	0.7
131.03374	0.7
133.04965	1.3
135.08102	0.7
137.09618	3.1
141.01817	0.6
141.12793	0.5
143.03435	3.2
149.04442	0.8
152.07124	0.5
152.99454	1.0
153.12749	0.7
161.04439	4.2
163.11183	3.5
165.12753	5.1
167.03462	0.6
169.12325	0.6
171.10181	9.1
179.05513	4.9
179.14377	0.8
181.12279	1.5
183.13814	1.6
185.11765	1.1
191.01901	0.6
191.14270	0.6
193.12317	0.9
193.15912	0.9
197.11774	4.9
199.06065	0.5
199.13362	0.6
201.11322	0.7
207.10204	2.1
209.11760	4.8
210.12148	0.7
211.13292	2.9
221.06573	1.4
221.11742	0.5
223.13200	1.5
225.11185	1.4
225.14828	0.6
227.12811	4.9
235.08186	6.9
247.20631	4.4
253.09294	2.8
263.07697	1.0
263.20145	0.7
273.18668	1.6
277.09335	0.8
287.07748	1.2
291.19659	41.1
292.19952	4.1
305.08771	1.8
309.20697	100.0
310.21085	9.6
323.09808	1.2
379.12543	0.7
397.13495	38.9
398.13821	3.6
415.14542	36.9
416.14905	3.0
689.33746	0.8
707.33832	2.0
721.31915	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95237	0.7
55.01746	1.0
57.03335	0.8
59.01252	21.6
60.68675	0.7
69.03326	1.8
70.92473	1.1
70.92820	1.1
71.01256	15.8
71.04893	1.5
72.99170	1.1
73.02824	2.6
78.95766	1.7
82.14939	0.7
83.01266	1.7
85.02397	0.7
85.02824	4.0
87.00765	3.5
87.01431	0.6
87.04377	0.8
89.02321	14.5
95.01289	0.8
96.95869	1.1
97.02836	2.2
101.02330	10.9
113.02330	6.3
119.03374	3.8
125.02357	3.9
131.03409	0.7
134.06493	0.7
143.03426	1.3
149.04509	0.9
152.99519	1.2
161.04454	2.9
179.05504	3.7
183.93155	0.8
195.13800	4.9
207.13837	1.7
207.17461	4.0
209.15550	1.0
221.06705	0.7
221.15497	3.9
223.16989	13.5
224.17178	0.7
233.15471	8.6
235.08176	2.9
235.16969	1.2
249.14966	1.6
251.16525	43.4
252.16919	3.5
253.09258	3.3
253.18344	0.8
273.18643	2.2
273.21478	0.7
277.03494	0.7
291.19675	12.0
292.20078	0.8
309.20724	100.0
310.21027	6.8
323.09885	0.9
397.13538	23.8
398.13785	2.3
415.14590	31.1
416.14957	2.1
474.34390	0.9
519.56494	0.8
649.30566	0.8
707.34479	1.5
731.94250	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.2
58.00463	1.1
58.13830	0.6
59.01252	19.4
65.77637	0.6
69.03339	1.5
70.92947	1.1
70.93262	0.9
71.01258	12.9
71.04889	1.6
72.99174	1.3
73.02816	3.3
78.95784	1.2
83.01286	0.9
83.04871	0.6
85.02821	3.4
87.00742	2.9
87.04411	1.0
89.02319	11.8
95.01270	0.8
97.02855	1.4
99.00779	0.9
99.04390	0.9
101.02324	11.1
101.13327	0.6
111.63341	0.7
113.02332	5.3
113.09583	0.7
119.03391	3.8
121.02827	0.7
125.02339	3.2
131.03380	0.7
143.03362	2.1
152.99474	1.2
161.04459	3.8
179.05499	3.0
189.16408	1.2
195.13870	5.0
207.13849	2.1
207.17442	3.2
209.15393	0.9
221.06567	0.8
221.15361	4.3
223.16972	15.4
224.17351	1.0
233.15405	9.0
234.15619	0.7
235.08221	3.8
235.17035	1.9
251.16499	50.7
252.16852	2.6
253.09293	3.7
273.18607	1.5
287.07864	1.0
291.19675	10.7
309.20706	100.0
310.20987	6.8
323.10294	0.7
397.13504	23.6
398.13858	1.2
415.14566	31.1
416.14871	1.5
649.30579	1.4
726.32544	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.7
56.50292	0.4
57.03327	2.4
57.87881	0.5
58.00457	1.7
59.01252	27.2
61.32457	0.5
61.98707	0.8
68.27102	0.4
69.03323	2.4
71.01254	23.8
71.04903	1.3
71.57640	0.5
72.99181	5.5
73.02823	4.2
75.00748	14.8
78.95773	2.7
80.96380	0.4
81.03336	0.7
83.01257	2.7
83.04902	1.3
85.02824	6.7
87.00748	4.9
87.04395	0.8
88.98720	0.5
89.02316	20.6
91.03870	0.5
93.03349	0.7
95.01260	1.4
96.95879	2.1
97.02827	4.7
97.06453	1.3
99.00755	1.7
101.02322	17.5
109.06451	1.9
111.00766	0.6
111.04382	1.1
111.08035	6.4
113.02327	8.1
117.01814	0.5
119.03378	6.4
119.08576	1.1
121.02792	0.5
122.05984	0.4
125.02348	5.2
125.09605	1.0
127.07555	0.5
131.03380	0.6
133.04964	21.7
135.08031	0.7
137.09613	3.2
141.05365	0.5
143.03389	2.2
146.76068	0.6
149.04388	0.7
151.11122	0.8
152.99510	1.3
153.12695	0.6
155.10614	0.8
159.10199	0.6
161.04431	3.9
163.11163	1.4
165.12727	0.9
167.10605	0.7
169.12285	3.0
171.10178	11.5
179.05527	4.7
181.12273	1.9
183.13766	1.0
185.04506	0.7
185.11737	2.1
191.01834	0.6
195.13936	0.9
197.11766	27.3
198.12099	1.1
199.13310	1.7
201.11235	1.8
207.10223	2.5
209.11807	6.1
209.15410	7.3
210.12148	1.4
211.13351	4.2
213.11273	0.9
219.10007	0.5
221.06567	1.2
221.15437	1.3
223.16986	4.1
225.11221	1.9
227.12801	3.1
228.13176	0.6
229.19527	0.6
233.15369	2.6
235.08176	5.1
241.09361	0.4
243.12460	0.6
247.20630	0.9
251.16498	7.8
253.09230	3.9
255.03201	0.5
263.07816	0.8
263.20135	1.3
265.18152	0.7
273.18704	2.4
283.02524	0.5
287.07520	1.1
291.19672	20.1
292.20016	1.5
305.08853	1.0
309.20703	100.0
310.21072	6.7
311.42618	0.4
312.02737	0.7
397.13483	25.2
398.13727	1.3
405.06235	1.7
406.06830	1.1
415.14566	34.6
416.14941	2.0
428.08609	0.5
461.20209	0.7
487.32666	1.5
505.33813	0.5
547.35028	0.8
552.97559	0.6
610.12994	0.8
633.27698	0.5
647.36584	1.6
707.34283	2.4
713.51971	0.5
732.48773	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.0
57.03310	1.6
57.50985	0.5
58.00462	1.8
59.01251	28.3
61.98698	1.2
67.01723	0.6
68.99731	0.5
69.03333	3.3
70.33801	1.8
71.01253	24.1
71.04890	0.7
72.99173	2.5
73.02820	3.3
75.00759	2.4
78.95762	1.8
80.96415	0.6
81.03326	1.1
81.59385	0.5
83.01262	2.1
83.04892	1.7
84.06193	0.5
84.95552	0.4
85.02815	6.2
87.00746	5.0
88.98682	1.6
89.02316	20.6
93.03361	1.2
95.01266	1.4
95.04919	1.1
96.95886	1.6
97.02827	8.7
97.06453	1.6
98.10233	0.4
99.00748	1.5
99.82936	0.5
101.02320	16.3
107.04874	0.5
109.06463	1.6
111.00726	0.9
111.04384	0.8
111.08033	7.4
113.02327	8.0
119.03386	5.4
121.02881	1.4
123.08127	0.6
125.02361	4.1
125.09618	1.0
127.07518	0.9
131.03384	0.7
133.04938	4.4
136.07547	0.6
137.09598	1.7
141.01866	0.5
143.03423	3.6
147.06496	0.8
147.96263	0.6
148.04649	0.6
149.04517	0.8
152.07045	0.6
152.99501	0.7
153.12727	1.0
161.04463	3.3
163.11171	1.0
165.12794	1.2
169.12260	4.0
171.10167	6.9
179.05548	4.3
179.10641	0.8
181.12215	1.0
183.13844	1.3
185.04486	0.5
185.11758	0.7
191.01820	0.6
191.03435	1.1
193.12299	1.0
195.13847	1.1
197.11766	35.1
198.12096	2.0
199.13339	3.0
201.11270	1.2
207.10107	2.4
209.11803	5.1
211.13396	6.3
221.06619	0.9
221.11797	0.9
223.13374	0.6
225.11316	1.6
225.14954	2.2
227.12906	2.9
235.08156	4.3
239.12982	0.7
247.20601	1.2
249.14963	1.8
253.09245	3.3
255.02902	0.9
263.07751	0.7
263.20105	1.3
273.18680	1.0
283.02493	1.4
291.19659	19.0
292.19995	2.1
309.20703	100.0
310.21060	10.9
311.01984	0.6
312.02774	1.3
323.09891	0.7
379.04187	1.1
379.12680	0.7
397.13489	26.9
398.13818	2.4
405.06116	1.1
415.14560	33.2
416.14850	2.2
610.13171	1.3
689.34308	0.7
707.34534	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	707.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	9.1
60.31954	1.8
69.30717	5.0
69.31120	22.1
70.39196	2.1
71.01239	2.9
78.95785	3.6
80.04920	12.2
82.02874	2.6
85.02848	11.0
94.02864	29.1
94.06497	5.6
96.95878	16.0
104.04958	2.2
106.06506	4.4
107.03638	5.5
108.04404	4.3
109.52942	2.1
110.05983	2.2
116.92761	3.6
120.04434	3.8
122.06007	61.5
123.06325	2.9
124.03928	3.4
130.06439	2.8
134.05991	13.4
136.03923	4.8
136.07590	3.2
138.05495	9.4
146.05956	2.7
147.05431	2.4
148.03951	4.9
148.07570	4.7
150.05524	12.1
152.07074	100.0
153.07391	3.5
168.06557	3.0
174.05508	7.1
180.06618	3.1
188.07086	5.9
191.02013	4.8
201.10248	6.6
207.10286	2.4
209.03032	3.1
209.11859	2.7
211.08684	4.8
213.10260	7.4
219.15005	2.1
223.08766	3.7
225.10301	7.0
227.11894	9.2
229.09779	11.3
229.13370	4.3
232.87849	2.5
235.26497	2.2
237.10336	5.4
239.11833	5.4
241.09843	3.9
245.12950	10.3
249.06659	2.9
250.07277	2.4
252.08786	3.5
253.09798	6.0
255.11320	10.8
256.11649	2.5
257.12967	5.5
263.08295	3.2
265.06287	2.4
265.09799	10.2
267.11426	6.0
273.12390	8.4
277.09763	3.8
278.07196	2.7
278.10458	3.4
279.07773	11.2
279.11179	4.4
289.11951	2.6
293.09338	24.5
294.09888	8.6
295.10931	11.2
296.08014	2.3
301.11951	13.1
307.10733	5.3
309.08859	2.6
309.12283	3.2
313.12006	9.5
319.13007	49.5
320.13226	3.8
323.10306	6.9
325.11856	5.1
327.13467	3.2
337.08325	11.7
355.13025	5.4
357.14975	2.5
374.15082	12.5
384.60507	2.2
386.15552	2.4
388.12640	2.7
390.18326	3.0
392.16031	12.6
416.16049	9.8
417.16812	5.6
432.19107	5.4
434.16678	5.6
459.17859	8.3
460.18533	3.6
463.17572	7.4
474.20096	4.1
476.18152	4.6
477.09601	2.2
477.17404	2.7
478.19666	8.6
486.16479	3.1
503.16891	5.4
504.17795	9.2
505.18073	3.0
518.19263	14.1
536.19733	3.0
539.23016	7.1
550.21906	26.7
551.22229	5.9
557.23846	15.7
558.24103	4.2
581.24347	8.4
583.21838	9.8
599.25006	40.7
600.25244	6.2
602.22931	3.8
615.24847	11.5
625.23041	5.3
631.27521	4.5
643.24011	53.7
644.24176	11.0
647.26282	6.5
657.25665	10.1
675.26685	84.3
676.27008	18.2
689.27924	12.5
690.27740	4.0
707.29584	52.4
708.29590	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	707.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66747	0.9
59.01247	10.7
63.47100	0.9
67.72581	0.9
69.90170	1.8
69.90578	3.5
71.01273	4.8
71.81226	0.8
80.04922	10.3
81.03353	0.8
82.02866	1.6
85.02807	2.9
87.44003	0.8
89.02320	5.0
94.02865	23.0
94.06504	3.5
96.47716	0.8
97.43323	0.8
98.20424	1.8
101.02333	1.6
104.04946	3.1
106.06516	3.6
107.03647	7.1
108.04421	2.6
113.02323	1.7
119.03415	2.4
120.04440	2.2
120.08125	1.0
121.05219	0.9
122.06004	39.1
123.06313	1.8
124.03930	1.7
124.07591	1.5
130.87384	0.8
132.04407	2.4
134.05998	8.6
136.03915	3.3
136.07584	1.5
137.04724	1.2
138.05510	8.0
139.02664	2.4
146.05984	0.9
147.05574	1.2
148.03961	3.4
150.05507	7.4
152.07072	71.1
153.07391	2.0
158.02322	1.3
160.03906	2.3
162.05423	1.0
171.10182	1.6
172.11169	1.3
174.05569	4.1
175.05054	1.9
175.06627	0.8
176.05879	0.9
179.05547	1.2
180.06569	1.6
184.11214	0.9
186.05478	1.5
186.12900	1.1
187.08601	1.4
188.07082	3.5
190.04993	2.4
201.10173	7.3
209.11723	1.4
211.08688	1.9
213.10283	6.8
215.11871	1.5
223.08687	2.6
224.09399	1.6
225.10300	4.1
226.11140	1.8
227.11760	5.1
229.09773	10.8
229.13339	4.2
235.08571	1.4
236.09544	0.9
237.10217	4.6
239.08272	1.1
239.11798	6.9
241.09698	2.2
245.12883	10.4
247.10794	1.9
249.06613	1.6
249.10330	1.9
250.07437	3.7
251.08214	3.6
251.11852	2.0
253.09726	5.2
253.13318	1.1
255.11301	4.7
257.12943	4.0
259.10779	1.8
263.08389	1.8
265.06351	1.1
265.06924	1.2
265.09824	7.6
266.10498	2.8
267.11346	7.1
273.12527	3.8
277.09790	3.5
278.06927	4.0
278.10541	3.4
279.07709	7.2
279.11295	3.1
281.12878	1.6
289.11963	2.6
291.07907	1.7
293.09308	17.6
294.10037	6.2
295.10773	9.7
297.12289	1.8
301.11908	17.1
302.11972	1.4
306.09958	2.9
307.10831	3.4
309.12369	4.9
313.11905	6.5
319.12979	37.9
320.13327	2.5
323.10272	6.6
324.10901	1.2
325.11859	2.6
327.13553	5.0
330.12271	1.2
332.14084	1.7
337.08295	8.9
338.08929	2.4
339.09879	2.2
341.11502	1.5
344.13956	1.2
351.09586	1.2
355.12991	3.5
356.13855	1.2
358.11823	1.1
360.13376	1.1
372.13336	1.4
372.17361	1.8
374.15027	8.8
384.13187	1.2
386.15274	1.9
388.16779	2.0
391.15372	2.6
392.16055	6.5
398.14981	1.1
403.14795	1.2
416.16217	5.5
417.16910	1.7
428.16034	1.9
431.18518	1.3
432.19412	2.1
434.16849	4.3
444.15094	1.3
446.17117	1.7
458.17035	2.7
459.18005	5.6
460.18628	4.5
461.19229	1.3
462.16730	1.1
468.15909	1.3
474.20346	3.5
476.18237	2.8
477.18878	1.2
486.16833	2.3
492.21497	1.7
503.16873	2.9
504.17697	12.5
505.17926	1.7
518.19421	15.3
519.19812	1.8
539.23114	5.0
550.21936	16.8
551.22363	3.0
557.24011	8.1
558.24432	2.0
571.25421	3.4
581.23981	6.9
582.24152	1.3
583.22083	6.3
599.25079	48.0
600.25348	8.5
602.23676	1.2
615.24359	7.9
616.24579	1.1
625.23151	4.0
631.27832	5.8
643.24048	45.5
644.24457	7.0
647.27509	4.6
657.25775	9.5
658.25519	2.9
675.26654	100.0
676.26959	20.8
689.28656	2.8
707.29443	16.0
708.29620	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	707.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	19.4
62.12740	3.4
66.91683	3.3
70.93562	9.2
71.01247	12.8
78.95748	3.1
79.95636	3.3
80.04917	10.4
85.02820	14.9
87.00745	3.6
89.02317	7.5
93.03303	5.0
94.06491	5.3
96.95903	41.6
101.02349	8.2
107.03630	9.2
108.04436	8.5
108.59186	3.3
109.02811	4.7
111.00781	6.1
112.60477	3.2
113.02322	4.2
115.44231	3.8
118.04953	3.7
120.04453	5.5
122.05997	76.0
124.03873	9.7
132.04491	4.6
134.06003	14.5
136.03922	10.2
136.07562	7.7
138.05489	5.8
139.02727	4.4
148.04001	3.7
150.05492	10.1
152.03488	3.4
152.07069	100.0
153.07468	4.8
162.05394	5.2
168.06494	4.3
171.10146	20.9
174.05524	4.1
178.04942	5.5
180.06577	6.4
187.05359	4.0
188.07042	12.6
190.05013	9.4
190.52463	3.6
191.01910	5.3
201.11316	8.2
205.05017	4.5
207.10265	3.3
209.02943	4.5
209.11786	26.1
211.08737	5.3
217.09915	3.8
225.11258	4.3
227.08319	5.9
227.12766	6.6
228.08902	7.6
229.09775	11.8
231.11340	4.6
235.08382	4.1
237.10193	5.8
243.11298	10.6
244.11961	5.1
245.09207	6.3
245.12889	7.9
249.06563	5.0
249.10330	4.8
250.07549	4.3
251.08208	5.4
251.11711	5.2
253.09465	15.3
257.09387	18.5
259.10855	20.5
260.11563	7.2
265.09753	6.8
267.11200	7.1
271.02460	12.2
271.10703	17.2
272.11536	4.8
273.12323	4.2
275.10394	20.6
281.08887	4.7
283.02319	6.1
289.11993	14.1
290.12701	15.9
293.09225	8.3
294.10074	5.6
295.10892	23.8
299.01880	12.3
300.02814	6.8
301.03452	8.6
301.11969	9.2
307.10852	13.3
313.11703	6.1
319.12903	19.2
323.10278	6.0
325.07214	4.1
328.96365	4.0
334.11652	55.9
335.12128	5.3
354.07614	19.8
354.11746	4.5
355.08121	19.0
355.12955	29.3
374.14847	5.7
398.10059	21.5
399.10449	4.9
432.15253	6.3
460.18744	58.0
461.19409	7.2
468.14917	3.7
504.17731	28.3
569.19965	5.9
585.22217	4.8
598.24469	3.8
599.25049	13.9
601.21887	5.4
613.23676	6.6
630.26563	9.9
643.23926	19.6
645.23248	4.0
674.25732	43.3
675.26355	22.7
707.21753	59.6
708.22308	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	707.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.1
65.03285	0.1
71.01237	0.2
79.95602	2.8
85.02799	0.1
89.02312	0.2
91.22527	0.1
92.00940	0.1
96.95885	100.0
97.95827	0.4
98.95470	0.2
105.78031	0.1
113.02384	0.1
114.45349	0.1
151.00209	0.1
209.02916	0.1
229.21606	0.1
249.09444	0.1
255.02872	0.1
271.02518	0.3
300.02798	0.5
301.03497	0.3
441.15591	0.1
609.14282	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69608	2.0
71.37966	3.6
71.38297	2.3
78.95775	5.7
110.98408	6.5
167.01089	2.1
183.19884	1.8
219.67194	2.1
277.21729	100.0
278.22070	8.7
445.23596	4.5
650.87805	2.1
705.45062	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	705.4503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07840	0.2
59.01262	1.8
66.31403	0.2
70.64347	0.8
71.01277	0.3
72.15720	0.3
78.84100	0.2
78.95781	11.2
96.24058	0.2
96.96844	0.4
107.30474	0.2
110.98415	8.1
127.07574	0.4
152.99481	1.7
167.01091	2.7
181.87094	0.2
233.22897	0.4
242.44737	0.3
255.23276	0.5
259.20609	0.5
275.20261	0.6
277.21725	100.0
278.22073	7.0
279.23169	0.6
283.87073	0.3
302.69275	0.3
390.66394	0.3
427.22678	0.8
445.23645	4.7
498.97293	0.3
625.06281	0.3
705.45020	4.0
706.45325	0.8
716.11255	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08252	1.0
52.26093	1.0
55.90776	1.0
57.29807	1.1
59.01247	1.4
60.89628	0.9
66.13165	1.0
71.57182	1.1
71.57590	1.4
71.68024	0.9
78.95776	13.3
80.25202	1.1
85.59969	1.0
90.13393	0.9
97.15750	1.0
102.89995	0.9
110.98405	6.9
111.53517	1.1
152.99452	2.4
167.01036	2.4
224.06065	1.0
261.41287	1.2
277.21735	100.0
278.22070	8.5
324.93097	1.2
445.23529	4.8
705.44495	4.4
706.44922	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	705.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91665	0.5
56.85505	0.5
57.03316	1.3
59.01250	13.4
60.32296	0.5
61.12547	0.5
61.98698	1.2
68.02391	0.6
69.03323	0.7
71.01251	15.0
71.01650	0.7
72.99165	1.1
73.02815	5.6
73.73664	0.5
75.00737	1.7
78.95793	1.6
79.99717	0.6
80.02548	0.8
81.03330	1.5
81.93267	0.5
83.01254	3.2
83.04907	4.0
84.02029	1.1
85.02831	4.4
87.00759	5.1
89.02318	5.4
90.02717	0.6
93.03317	1.9
95.04899	1.1
96.95889	3.0
97.02805	2.7
99.00747	1.0
101.02318	12.9
102.02670	0.5
102.70229	0.5
111.00739	1.4
111.04377	0.5
113.02322	4.4
119.03387	1.7
125.02341	1.3
125.09599	1.5
127.11182	0.6
131.03360	0.7
133.04955	0.9
143.03377	2.3
145.04948	0.6
147.03003	0.7
149.04460	1.2
152.07016	0.6
159.10170	4.6
161.04459	7.1
162.04774	1.1
163.11198	4.1
165.01930	0.9
165.12743	1.7
167.19629	0.6
169.12244	6.8
171.10208	7.1
173.00621	0.7
179.05519	1.6
181.12309	1.3
183.13771	0.7
185.11774	1.4
191.01898	0.8
191.10637	1.2
197.11748	1.3
199.13254	0.5
201.11345	0.8
203.05655	0.9
207.10179	2.4
209.11768	100.0
210.12123	5.3
211.13330	1.6
215.12868	0.9
221.06592	1.8
225.11244	2.8
227.12837	14.6
228.13080	0.9
235.08270	3.0
253.09291	8.1
263.07684	1.4
271.02573	1.3
279.11371	1.0
299.01993	2.0
304.58469	0.6
305.08951	0.7
309.20599	1.0
314.04349	1.5
315.05026	1.7
327.21738	3.0
357.90247	0.7
363.21536	0.7
417.14499	1.9
445.20862	2.0
448.14978	0.9
542.35498	0.6
687.31995	1.4
705.33844	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.4
57.03315	4.0
58.00463	1.0
59.01253	28.6
65.03837	40.3
65.21104	0.7
69.03327	2.6
71.01252	24.7
71.04894	20.8
71.57159	0.7
71.57645	1.2
72.99173	2.4
73.02824	4.4
75.00725	0.9
75.74871	0.7
78.95788	4.1
79.34354	0.8
81.03329	1.3
83.01244	2.8
83.04894	2.3
84.14706	0.7
85.02824	6.7
87.00740	4.8
89.02319	27.0
93.03350	0.9
95.01261	1.4
95.04916	0.8
95.17976	0.8
96.95873	1.5
96.96832	1.0
97.02828	3.6
97.06473	35.4
99.00755	1.7
101.02329	23.5
109.06485	1.1
113.02330	11.1
119.03400	7.4
119.08563	5.6
121.06490	57.2
121.17008	0.8
122.06824	1.5
123.08052	2.8
125.02339	5.7
125.09618	32.2
131.03392	1.2
137.09694	1.2
141.12828	1.3
143.03380	3.3
143.04457	0.9
152.99466	2.0
161.04440	5.4
179.05527	6.8
185.11765	50.9
186.12086	2.3
191.14395	1.0
196.19763	0.8
209.11794	20.8
210.12065	0.9
211.13356	20.0
212.13734	1.9
214.99010	1.0
217.12355	0.8
221.06572	1.5
235.08301	6.4
235.13374	60.4
236.13719	2.8
253.09308	7.0
265.35196	0.9
277.09274	0.9
289.18094	21.7
290.18390	1.5
306.07593	0.8
307.19153	100.0
308.19409	7.3
331.54489	0.9
367.31357	0.9
378.95218	1.0
397.08414	1.8
397.13528	36.1
398.13766	2.3
415.14597	32.6
416.15018	2.0
419.34738	0.9
473.08847	0.9
510.77850	0.8
561.29669	1.1
633.27734	7.7
634.28003	1.3
687.32471	2.6
705.33972	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	705.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14896	0.7
55.01742	2.9
56.89499	0.6
57.03311	2.5
58.00471	1.8
59.01254	25.8
60.04718	0.7
61.98699	1.0
65.03837	38.0
66.38700	0.8
67.01773	0.9
69.03341	1.5
69.25937	8.7
71.01257	23.9
71.04896	15.2
72.99178	2.1
73.02811	3.6
78.95777	5.6
81.03313	1.3
83.01258	2.4
83.04896	1.5
85.02817	6.1
87.00765	4.3
89.02322	26.0
95.01256	2.3
96.95895	1.7
96.96857	1.1
97.02817	3.6
97.06470	32.8
98.06786	0.8
98.20677	1.4
99.00766	2.0
101.02325	19.7
111.00756	1.1
112.69199	0.7
113.02328	9.8
118.26586	0.6
119.03382	6.9
119.08551	5.9
121.06492	52.2
123.08032	2.4
125.02331	5.2
125.09621	27.5
131.03416	1.2
137.09630	1.7
141.01848	0.8
141.12727	1.0
143.03366	3.1
147.04445	0.8
152.99457	2.9
161.04477	6.4
163.11172	1.0
165.12723	0.9
169.08630	1.3
171.10201	0.9
176.79857	0.8
179.05519	5.5
185.11763	47.4
186.12132	1.4
209.09882	1.3
209.11778	19.6
209.13745	1.3
211.13326	17.1
211.15155	1.3
212.13782	1.1
217.12256	1.4
221.06650	1.8
233.15405	1.6
235.08261	7.0
235.13361	56.5
236.13704	3.1
253.09250	5.3
263.07648	0.9
275.94666	0.8
284.64532	0.9
289.18112	17.7
290.18597	2.1
300.65140	0.9
305.08969	1.7
306.08102	0.8
307.19156	100.0
308.19547	7.2
323.09805	1.8
397.13531	31.9
398.13947	2.2
403.03918	0.8
415.14590	31.7
416.14911	3.1
504.80121	0.8
633.27625	8.4
687.32349	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	2.2
57.03324	3.4
58.00471	2.7
59.01250	46.7
60.01586	0.6
61.98705	1.6
68.41734	0.6
68.99677	0.8
69.03333	3.7
69.69980	3.9
71.01252	44.2
71.04897	1.6
72.01593	0.8
72.99182	4.4
73.02814	6.4
75.00747	2.5
78.95779	2.6
80.02544	1.0
80.96378	1.4
81.03325	3.7
83.01260	7.1
83.04900	2.8
85.02820	10.8
87.00755	9.1
88.98673	0.8
89.02317	40.0
90.02660	0.8
93.03314	1.3
95.01266	3.4
95.04902	2.4
96.95882	1.3
97.02822	9.8
97.06464	6.0
98.19825	0.8
99.00750	4.6
99.04446	0.6
101.02322	33.4
106.04147	1.2
109.02810	1.4
109.06480	2.7
111.00726	1.0
111.04400	1.8
113.02331	17.1
113.06060	0.8
119.03395	12.9
119.08588	1.1
121.02875	1.2
121.06491	1.5
122.16234	0.7
123.04404	4.3
123.08060	2.2
124.01500	0.8
125.02328	10.7
125.05951	1.1
125.09612	8.7
131.03383	2.2
133.04950	2.6
135.08040	1.6
137.02371	0.8
137.09599	4.4
139.03883	0.7
139.11131	0.7
141.01823	1.3
141.12746	1.2
142.02641	0.7
143.03404	6.0
149.04468	1.8
149.05963	1.1
149.09653	0.7
150.10429	0.7
151.11198	1.7
152.07092	0.7
152.99492	0.9
155.10661	0.8
161.04457	8.8
161.09624	1.5
162.10350	0.9
163.07559	1.5
163.11188	10.8
165.09137	0.9
165.12712	2.5
167.03450	0.8
167.10701	0.8
169.05011	0.8
169.12254	1.0
171.10229	3.7
175.11267	0.8
179.05537	9.0
179.10721	1.4
180.89452	0.6
181.12344	4.2
183.13808	1.1
185.11789	9.6
191.10727	1.8
191.14340	10.1
193.12212	1.6
197.11771	1.8
199.13318	2.2
201.11308	0.9
207.10248	10.2
209.11772	30.2
210.12105	1.7
211.13326	10.5
215.12801	1.7
217.07156	0.9
221.06616	2.8
225.11276	10.4
226.11667	0.6
227.12871	5.4
235.08205	11.1
237.11340	7.9
238.11845	0.8
243.12379	1.8
243.17464	0.9
245.06535	0.9
245.19090	20.7
246.19478	1.1
253.09279	5.9
263.07791	2.4
263.20206	5.4
271.17081	2.3
277.09134	1.3
281.21219	2.6
287.07693	1.1
289.18094	91.9
290.18484	6.1
298.62747	0.7
305.08829	1.7
307.19144	100.0
308.19501	8.3
325.20105	2.2
397.13474	44.7
398.13864	3.2
415.14578	41.9
416.15036	3.1
443.46744	0.7
443.60812	0.8
577.92145	0.7
607.26172	1.6
673.34253	9.6
674.34662	1.0
687.31879	1.7
705.33411	10.2
706.34082	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63953	1.2
55.01752	2.2
57.03310	5.6
58.00468	3.2
59.01252	53.0
60.99170	1.8
61.98694	5.8
69.03321	4.0
71.01253	51.2
71.05992	3.0
72.99181	5.1
73.02822	7.6
75.00782	1.4
78.95766	4.2
79.95571	2.0
80.02537	2.8
80.96394	3.6
81.03341	6.4
83.01250	6.8
83.04897	8.0
84.02006	2.5
85.02825	13.2
87.00758	13.5
88.98673	3.6
89.02316	42.1
93.03330	1.9
94.97974	1.2
95.01264	2.7
95.04885	2.7
96.95874	4.7
97.02842	9.4
97.06463	6.9
99.00769	5.8
101.02322	37.8
106.04127	1.3
109.02852	1.8
109.06478	2.4
111.00758	1.8
111.04398	1.8
111.08027	2.5
113.02338	17.3
115.03861	1.6
119.03393	12.7
120.14537	1.2
123.04425	3.0
123.08050	2.6
125.02321	10.2
125.09612	9.4
129.85831	1.2
131.03323	1.3
131.13788	1.4
131.57913	1.3
133.04961	2.1
135.08044	1.6
137.09615	4.1
143.03355	4.5
146.27325	1.4
151.11133	3.6
153.09119	1.6
161.04457	8.4
163.07576	2.1
163.11215	16.7
165.12766	12.5
167.03461	1.3
169.12228	2.8
171.10223	8.5
173.46703	1.1
179.05539	11.3
179.10715	2.8
181.12248	10.2
183.13838	50.9
184.14110	2.7
185.11737	7.1
186.11900	1.4
191.10707	3.9
191.14326	8.3
197.11737	3.0
199.13310	5.2
202.44844	1.3
203.05600	1.3
207.10194	14.8
209.11766	95.3
210.12114	3.7
211.13345	27.8
221.06659	2.4
225.00601	1.3
225.11269	23.2
226.11751	2.1
227.12854	18.1
235.08134	11.5
237.11192	8.3
243.12291	4.8
245.19066	19.8
249.40617	1.3
253.09267	11.9
263.07761	2.0
263.20117	7.8
271.17001	1.8
279.19778	1.7
281.21069	2.1
282.06476	1.4
287.07645	1.8
289.18094	70.2
290.18417	5.5
305.08908	1.8
307.19150	100.0
308.19342	6.7
323.09592	1.3
325.20392	2.1
397.13516	45.4
398.13892	2.2
415.14554	31.5
416.14810	2.3
445.20697	2.8
461.20172	2.3
479.21722	1.5
585.36041	1.6
607.25909	8.0
659.63898	1.6
666.06641	1.4
673.34369	68.0
674.34827	8.3
705.35895	16.4
706.35254	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	705.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28577	1.7
65.28899	2.3
70.85349	1.9
70.88251	4.3
71.01242	2.0
74.02335	5.4
83.04930	3.2
87.60549	1.8
96.00813	2.6
96.95903	3.6
108.00298	1.9
121.02847	2.8
125.09586	3.1
127.04971	2.0
127.11166	4.6
128.03450	2.4
145.06004	2.1
153.64520	1.8
162.47162	1.9
163.11241	5.6
165.12785	2.6
171.10243	4.2
191.10609	2.1
198.21393	2.0
199.09648	2.7
201.11267	96.0
202.11676	6.0
203.08281	4.0
209.11781	100.0
210.12122	4.1
225.11324	2.7
226.11618	2.2
227.12866	38.5
245.09315	14.7
245.13914	36.5
246.14325	2.6
297.11444	3.7
643.62939	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	704.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82560	0.4
68.02410	100.0
69.02740	0.5
69.23954	0.4
69.28771	2.8
69.29174	1.0
70.27631	0.4
70.56290	0.5
85.02813	0.8
96.95899	0.4
98.20665	0.7
126.99451	17.4
133.04985	0.8
137.02420	0.4
151.98999	5.5
161.56714	0.4
162.16521	0.4
178.99989	0.4
181.01688	2.1
208.02771	46.3
209.03096	2.3
252.01784	33.2
253.02090	1.7
423.15210	0.4
475.02710	0.4
508.40115	0.4
522.50330	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60370	1.5
59.01250	100.0
78.95759	1.9
79.04944	1.4
79.34002	1.5
91.03870	2.4
92.31257	1.4
93.33705	1.5
117.72063	1.7
120.00204	1.6
152.99403	2.1
177.98807	1.8
182.56549	1.9
195.13846	3.2
212.99657	1.5
229.21724	1.7
285.48419	1.6
293.21213	25.7
294.21762	1.6
616.52240	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	703.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40704	0.5
57.03329	0.6
59.01253	3.1
63.96107	1.3
69.03326	1.4
71.00887	0.9
71.01253	11.9
71.57215	0.4
71.57655	0.7
72.99222	0.5
73.02824	2.6
76.30254	0.5
78.95769	1.6
78.98463	6.8
79.95605	17.0
80.96390	90.6
81.03323	1.3
83.01263	0.6
83.04890	0.6
85.02823	4.1
87.00756	3.8
89.02311	0.7
94.97953	19.6
96.95870	2.3
97.02808	2.1
99.00726	1.1
99.04388	0.7
101.02312	3.8
102.69033	0.5
106.97967	4.0
113.02316	1.2
115.74202	0.4
116.01536	0.5
122.97465	4.7
123.55467	0.5
125.02330	3.4
125.09540	0.6
127.03868	1.2
134.96550	0.7
134.97478	6.5
136.99022	2.1
148.99062	6.5
150.96994	0.5
152.98540	6.7
163.11194	0.6
164.98543	14.2
167.00053	0.5
171.10188	1.5
179.10669	0.7
195.13811	1.0
197.11763	1.9
201.11273	0.8
206.99576	3.3
207.10158	1.1
209.11749	3.4
211.13373	1.2
225.00700	22.8
225.11136	0.8
226.00865	0.9
227.12906	0.6
249.14980	0.5
253.09212	1.0
281.04755	0.6
345.38434	0.6
395.18427	0.7
497.27716	0.8
504.66104	0.6
585.71521	0.6
617.37830	0.7
685.32861	1.2
703.29987	100.0
704.30243	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38779	1.3
57.03329	1.6
59.01252	14.1
60.15470	1.1
68.99667	3.4
69.03332	2.3
69.52859	8.8
71.01260	3.4
73.02799	1.4
75.00755	1.4
75.48743	1.0
81.03339	8.3
83.01275	7.4
85.02825	3.9
91.01694	1.1
93.03332	26.8
95.01258	3.4
95.04889	3.8
96.95866	1.9
97.02824	6.5
99.00755	1.3
99.04394	3.3
101.02307	2.5
107.04871	2.7
109.02803	3.2
109.29697	1.0
111.00745	2.1
111.04414	2.5
113.02319	2.4
119.04920	21.2
121.02839	5.7
121.06483	1.4
122.03554	1.1
123.00798	1.4
123.04400	14.2
124.01513	1.5
125.02332	6.7
131.04878	2.5
135.04428	10.1
137.02354	6.1
137.05984	2.7
138.79466	1.1
139.03894	14.4
143.04993	2.0
145.02861	2.2
145.06503	2.6
146.03552	1.2
147.04439	6.3
149.02309	1.9
149.06007	2.7
151.03902	7.1
152.04663	1.9
153.05463	1.8
159.04425	1.9
161.02361	1.2
161.04710	0.9
161.05965	6.1
163.03920	5.9
163.07588	2.1
164.04741	2.1
165.01872	4.0
165.05478	13.8
166.02589	4.9
167.03415	20.3
171.04486	1.0
175.03908	1.8
175.07610	1.9
177.01872	1.6
177.05515	3.8
179.03418	12.3
179.07045	1.3
180.04199	9.7
187.07510	3.0
189.05516	25.6
190.05910	1.7
191.01837	1.2
191.03413	3.8
193.01402	1.2
193.05008	12.3
194.05693	4.0
195.02820	1.5
197.04477	2.7
199.07581	1.6
203.03555	1.2
205.04944	1.6
207.02789	1.2
207.06633	5.1
208.03668	2.3
209.04469	12.6
213.05540	2.6
219.02956	1.9
219.06480	2.5
221.04506	4.8
227.07039	3.4
229.08655	3.3
231.06633	1.9
233.04446	1.7
237.04021	2.7
239.05534	4.2
241.08548	2.1
247.09525	1.2
249.04070	1.6
251.05365	1.5
253.08736	2.5
269.08121	2.5
271.09656	1.7
273.07693	4.6
285.07672	3.1
286.08334	1.8
297.07651	1.8
299.09250	7.3
300.09839	6.0
301.07178	1.7
313.10785	2.5
315.08768	12.4
327.08780	14.4
328.09332	4.1
339.08524	1.2
343.08279	13.1
345.09814	1.5
350.49402	1.2
355.08392	2.3
356.09076	1.7
357.09790	16.1
373.09125	3.6
387.10715	5.9
391.12247	1.5
417.11502	1.4
435.12772	1.4
477.14120	2.6
583.18201	92.3
584.18457	14.8
613.19171	3.3
703.22406	100.0
704.22882	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	703.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	4.2
59.78650	1.0
60.11831	1.2
68.99676	3.6
69.03316	2.2
71.01250	3.1
71.56425	1.0
71.56776	1.1
72.45022	1.0
81.03330	8.4
83.01247	7.7
85.02819	3.1
89.02303	1.4
93.03334	27.9
95.01266	2.2
95.04891	3.1
95.31467	1.2
96.95898	1.5
97.02826	4.8
99.04379	3.2
101.02301	1.4
107.04858	3.3
108.02063	1.7
109.02843	2.3
111.00769	2.5
111.04387	2.1
113.02315	2.5
119.03569	1.2
119.04923	22.0
121.02830	4.8
121.06431	1.7
121.07747	1.0
123.00769	1.4
123.04414	15.1
125.02366	6.8
125.92052	1.0
131.04906	1.8
133.06480	1.6
135.04398	7.1
137.02307	4.4
137.05991	6.6
139.03909	16.6
141.05464	1.5
143.04909	1.1
143.74442	1.1
145.02847	1.8
145.06503	2.0
147.04379	4.9
149.02350	1.5
149.05969	4.9
150.03104	1.3
151.03922	5.4
152.04735	1.3
153.05528	1.6
159.04378	2.6
161.05980	5.8
163.03969	7.4
163.07513	1.2
165.01830	4.7
165.05467	11.9
166.02589	4.4
167.03419	21.3
173.05905	1.4
177.05435	3.4
179.03427	10.5
179.07021	2.2
180.04176	11.1
181.04921	2.0
185.06058	1.4
187.03931	1.8
187.07579	3.1
189.05495	25.7
190.05983	1.4
191.03384	4.0
193.04988	9.6
194.05672	3.5
195.02998	1.4
195.06468	1.3
197.04488	3.3
199.07600	1.9
201.05478	1.7
205.04944	2.3
207.02925	2.3
207.06619	7.6
209.04465	11.1
213.05585	2.7
219.06638	1.2
221.04488	5.1
227.07166	3.4
229.08601	5.6
231.06570	3.1
233.04568	3.0
237.03966	1.6
239.05582	1.8
241.08687	1.3
243.06572	2.6
249.04021	1.4
251.05429	2.1
253.08669	1.7
269.08347	1.8
271.09692	2.7
272.06519	1.3
273.07599	5.6
283.09674	1.2
285.07639	3.4
286.08527	2.5
287.09003	1.5
295.09845	1.7
297.07889	1.8
299.09210	8.4
300.09924	5.6
301.07123	1.4
313.07126	2.4
313.10803	2.8
315.08716	12.2
327.08694	11.9
327.12085	2.0
328.09436	2.2
335.13016	1.1
343.08218	12.2
355.08331	1.8
356.08823	2.0
357.09778	14.1
358.09875	2.2
369.09543	1.4
373.09186	3.8
387.10855	7.0
399.10495	1.6
463.14575	1.3
477.13754	2.8
502.66016	1.3
583.18164	91.4
584.18463	11.2
613.19269	3.8
651.83759	1.2
703.22418	100.0
704.22882	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	703.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.7
59.01251	12.2
60.91015	1.1
61.98714	1.4
63.96103	1.8
71.01253	16.2
71.57757	1.6
72.99186	4.8
73.02827	3.8
75.00775	1.7
75.88387	1.1
78.95797	5.4
78.98461	8.5
79.95613	17.3
80.04947	2.4
80.96391	100.0
81.03323	1.4
83.01264	1.9
83.04899	1.4
85.02821	8.9
87.00773	6.0
89.02332	3.1
93.03288	1.3
94.97959	20.4
96.95905	3.7
97.02839	3.9
97.06432	1.3
99.00719	2.5
99.35950	1.1
101.02323	9.0
104.04937	2.6
106.06521	4.0
106.97995	3.8
111.00782	1.9
113.02328	3.1
113.38253	1.1
119.03355	1.4
122.97474	5.3
125.02292	5.4
125.09613	2.1
132.04462	2.4
134.05971	1.3
134.97476	5.7
136.99016	2.3
148.03935	1.6
148.99072	7.6
151.19688	1.1
152.07086	2.9
152.98509	7.8
152.99568	2.0
157.08563	6.8
159.10158	3.2
160.03940	2.1
160.07585	3.5
161.04495	2.0
163.11183	1.3
164.98523	14.3
171.10211	5.0
174.05553	2.6
177.12651	1.5
195.13837	9.2
197.11700	2.4
201.11264	2.9
206.99689	3.2
207.10210	3.1
209.11813	15.0
210.07915	2.5
211.05124	1.3
211.08871	1.3
211.13339	4.7
212.05693	1.3
215.12656	1.3
221.07285	1.2
222.08075	1.4
223.08681	2.1
224.09482	3.1
225.00705	20.2
225.06723	5.6
225.10381	4.3
226.10678	1.2
227.12834	1.4
229.14586	1.3
235.08264	2.2
237.06668	1.6
237.10352	4.4
239.11801	2.1
240.08998	4.8
241.09718	3.8
249.10306	3.3
250.07402	5.6
251.08142	6.7
252.08958	1.7
253.09395	4.6
255.11388	21.4
257.12875	2.5
265.09860	13.4
267.11368	13.9
289.10132	4.6
291.04007	2.3
293.09348	8.1
309.09122	1.6
311.10361	11.3
312.10837	1.4
327.21689	3.3
342.33612	1.1
346.12259	1.4
351.06149	2.2
355.09225	4.0
384.12683	1.2
390.11011	2.2
404.12427	2.2
420.15787	1.3
434.17160	15.7
461.20602	1.7
468.15964	13.3
469.16080	1.7
477.17587	1.3
481.22330	1.7
497.27280	1.5
504.17987	1.6
519.16681	2.6
534.19287	1.3
549.21417	2.0
583.20154	8.6
584.20367	2.3
593.20593	4.0
609.18567	1.8
627.19250	36.8
628.19568	4.5
659.21606	8.4
659.32874	5.0
671.18262	19.1
671.30005	2.0
672.18335	3.1
685.34332	5.1
703.20410	16.3
703.30194	98.2
704.20398	3.1
704.30927	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	701.4404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	6.1
71.57500	3.3
78.95782	100.0
79.93996	1.8
89.15614	1.6
96.96878	8.4
138.82950	1.9
148.34161	1.8
152.99496	54.2
189.55093	1.8
197.11792	2.0
217.00256	5.7
220.99553	2.9
233.24310	1.9
255.23280	95.0
256.23648	7.5
291.19675	2.6
309.20734	7.3
374.54874	2.0
374.99487	2.5
378.98401	3.1
391.22513	28.9
392.22986	2.8
409.23550	13.4
445.19974	7.9
675.07458	1.8
701.43799	35.0
702.44745	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	703.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58821	1.9
54.52277	2.0
59.01247	17.8
61.09747	2.0
61.98696	4.1
71.00879	1.8
71.01237	9.3
72.99168	1.9
73.02808	2.6
78.95752	5.0
80.04913	7.3
80.96371	6.9
85.02822	9.5
89.02309	4.0
90.99355	2.2
94.97955	2.3
96.95872	8.7
97.02869	3.8
98.20662	4.6
99.00772	2.5
101.02280	7.2
104.04913	7.8
106.06508	12.5
111.00734	2.0
112.24195	1.9
113.02319	3.9
125.02371	2.9
132.04401	7.3
148.03893	7.9
152.99490	2.4
157.08629	9.6
159.10170	7.6
160.03900	6.2
160.07594	12.1
160.80666	2.1
161.04561	3.6
163.11217	2.9
168.98407	2.4
169.07468	2.3
171.10139	8.6
174.05490	5.9
181.12177	2.6
183.09021	2.2
187.08617	5.9
190.04990	4.1
197.07195	2.8
197.11807	4.0
201.11185	3.5
207.10188	10.7
209.11789	18.8
211.05084	4.0
211.08731	4.4
211.13306	4.7
212.05771	4.7
213.06415	2.8
223.08699	4.5
224.09364	10.1
225.06714	14.9
225.10324	13.8
226.07254	5.5
227.08134	2.1
227.11830	3.9
234.07857	3.3
235.08513	7.1
237.10286	11.8
239.08374	3.7
239.11760	8.5
240.08981	16.1
241.09846	15.4
243.04057	5.4
246.73581	2.3
249.06573	3.5
249.10327	7.5
250.07416	12.0
251.08250	21.0
252.08847	3.8
253.09230	5.3
255.11372	65.2
256.11603	4.8
257.12933	8.2
263.08347	2.4
265.09778	41.5
266.10117	4.7
267.08533	2.7
267.11374	44.1
268.11575	4.1
269.09335	2.9
273.62628	1.9
289.10165	13.4
293.09329	24.5
294.09698	2.7
303.72858	2.0
309.08670	3.4
309.20828	2.4
311.10358	28.5
327.21762	2.9
333.09100	6.3
346.11838	4.9
355.09204	9.1
387.11838	5.7
390.10922	7.6
404.12552	2.9
419.14621	2.6
420.15762	2.7
434.17148	47.1
435.17200	5.7
451.17490	2.5
461.20242	3.4
468.16013	43.1
469.16162	5.8
481.22351	7.0
497.27438	3.7
505.14774	2.9
507.20709	2.6
519.16809	4.8
535.19287	4.0
549.21796	10.8
583.20215	24.7
584.20966	3.5
593.20264	9.3
609.17664	6.4
613.31488	2.2
627.19135	100.0
628.19440	18.4
637.19116	2.3
659.21747	19.9
660.22559	2.9
669.22552	2.5
671.18091	60.4
672.18396	11.6
703.20557	72.4
703.31952	8.0
704.20831	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	701.4401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.64294	1.6
67.49570	1.5
70.65288	2.2
70.65654	5.5
78.95778	99.8
85.95662	1.4
96.96832	8.5
150.20634	1.7
152.99500	68.8
153.99834	1.8
171.10225	2.0
197.11725	3.4
211.13219	1.6
219.43431	1.7
255.23282	100.0
256.23639	9.7
291.19836	3.1
309.20694	8.4
391.22543	29.4
392.22870	2.1
409.23419	9.5
445.20084	13.4
463.21500	1.6
478.88629	1.9
658.81335	1.8
701.43927	30.1
702.44293	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88818	1.7
58.02850	3.4
59.01250	3.1
65.00636	1.7
66.03361	2.5
74.02334	1.6
78.95773	3.1
82.02872	3.6
84.04432	4.5
86.05998	2.4
87.05508	20.8
93.57192	1.6
95.03681	1.5
95.94730	1.5
96.04369	1.6
96.95876	6.2
101.07065	2.3
102.04849	2.0
102.05498	32.7
109.03923	1.9
110.02370	4.9
111.05534	3.6
112.03944	3.0
115.08659	2.2
116.07104	8.9
122.09646	4.1
123.03156	1.8
124.16521	1.7
125.07092	1.7
126.05490	7.2
126.06532	1.8
127.05016	5.3
127.08642	2.6
128.03430	100.0
129.03802	3.0
129.06593	42.5
129.10226	5.1
130.08659	2.9
140.07010	2.3
141.06531	2.0
144.07710	6.7
146.04500	16.4
151.08669	13.6
155.08202	2.1
157.13362	5.0
165.10208	5.4
166.08655	21.2
167.11792	2.6
168.07823	1.7
168.11368	8.7
169.06102	2.4
169.09744	3.3
169.13474	1.5
183.11337	17.8
186.08733	2.6
187.07140	7.0
194.65840	1.8
196.14484	5.6
201.12376	4.2
208.10741	3.6
209.09311	10.2
214.15561	3.7
227.10356	24.4
228.10573	2.0
238.15598	4.6
239.15031	8.1
245.11530	1.7
252.20888	1.6
281.16177	14.8
299.17184	4.9
300.15558	2.9
312.15643	7.6
356.14594	6.3
466.26999	2.2
475.19376	1.7
510.25806	3.9
528.26886	15.4
554.28265	4.3
572.29285	6.3
657.31000	73.3
658.31177	11.4
683.32672	4.0
701.33691	80.6
702.34082	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	701.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.5
58.00474	1.8
59.01246	44.5
70.44491	2.0
70.44832	4.5
71.01251	38.0
72.99168	2.9
73.02804	7.8
83.01244	2.4
85.02834	11.3
87.00751	16.3
88.42845	1.6
89.02312	59.5
95.01273	2.0
97.02853	1.6
101.02315	43.6
101.85201	1.6
113.02334	20.0
119.03378	12.5
125.02322	5.4
131.03358	1.9
143.03416	9.5
161.04437	8.4
179.05519	41.7
202.70119	2.0
221.06555	13.1
281.08911	1.7
323.09845	3.5
341.10864	28.3
353.07040	1.8
383.11920	66.0
384.12131	4.9
413.12949	1.9
425.13293	3.1
443.13971	17.8
485.15140	14.1
486.75528	1.7
503.16107	5.0
539.13708	10.2
665.21417	100.0
666.21594	9.2
701.19153	35.9
702.19385	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	700.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.4
57.03312	0.4
59.01253	3.4
61.98706	0.7
65.58549	0.3
68.02410	67.9
69.02735	0.7
71.01256	4.4
71.20865	0.8
72.99174	0.5
73.02829	0.5
75.00716	0.4
75.86394	0.3
78.95760	0.7
79.95615	0.5
80.02560	1.1
80.96388	2.1
81.03338	1.2
83.01229	0.8
83.04897	3.6
84.02044	1.7
85.02825	3.0
87.00767	0.7
89.02318	3.4
93.03334	0.4
95.01279	0.5
95.04905	0.3
96.95895	1.3
98.95492	0.3
101.02323	2.2
111.00757	0.5
113.02299	1.4
119.03385	2.0
125.02395	0.5
125.06004	0.6
125.09644	0.7
126.99459	100.0
127.99788	2.6
128.99188	1.3
129.01799	0.5
133.04991	0.3
135.08031	0.5
143.03377	0.5
147.02922	0.3
148.99117	0.4
154.06123	0.3
155.06693	0.3
161.04420	0.8
163.11201	3.0
165.12779	1.6
171.10165	0.4
173.08080	0.4
179.05525	2.0
181.12360	0.5
191.01921	1.1
191.10651	0.7
199.13257	0.7
209.11772	56.9
210.12112	3.4
225.00792	0.5
227.12842	19.3
228.13190	1.1
240.77455	0.4
255.23199	0.5
263.11295	0.4
275.11365	0.9
318.82205	0.4
335.79257	0.4
336.80002	0.4
344.14517	0.8
346.60690	0.4
362.07382	0.4
403.11633	7.9
404.11996	0.9
472.14801	3.2
473.15302	0.5
508.42203	0.5
532.87671	0.4
644.24957	0.4
700.18945	0.6
700.29633	2.4
701.29370	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.2
57.03317	0.4
58.00472	0.3
59.01248	2.9
64.07653	0.1
69.03329	0.5
69.91440	0.8
71.01252	2.8
72.99176	0.2
73.02802	0.7
78.95766	0.2
81.03327	0.2
83.01247	0.4
83.04899	0.4
85.02823	0.7
85.48066	0.2
87.00761	0.6
89.02315	2.2
95.04931	0.2
97.02824	1.1
97.06472	0.5
101.02318	2.7
103.75013	0.2
104.63792	0.1
109.06503	0.2
111.08050	3.6
113.02322	1.3
119.03383	0.7
121.10165	0.2
123.08070	0.2
125.02346	0.2
125.09600	1.9
127.07533	0.2
127.11169	1.8
137.09662	0.5
143.03415	0.5
145.04959	0.3
151.11241	0.4
153.09122	0.8
153.12741	0.3
160.57664	0.1
161.04480	1.1
163.11200	0.3
165.12729	0.9
169.12268	1.4
171.10178	100.0
172.10509	3.3
179.05560	0.5
179.10770	0.2
179.14307	0.2
181.12320	0.3
183.13818	0.4
185.11743	0.2
187.09680	0.5
193.12332	0.2
197.11765	16.5
198.12131	0.8
198.14166	0.1
199.13336	0.9
209.11745	0.5
209.15456	0.2
211.13329	2.3
223.16881	0.2
227.12848	1.1
235.08183	3.9
236.08554	0.2
247.06258	0.1
247.20685	0.8
249.14871	0.2
253.09254	10.7
254.09691	0.2
263.20126	1.0
265.18045	0.5
273.18567	0.6
291.19647	15.5
292.20001	1.0
309.20697	30.8
310.21082	2.3
365.08899	0.2
407.19110	1.4
433.20703	0.2
463.30432	0.6
516.86768	0.2
527.28564	0.5
545.29626	0.6
699.39233	0.9
700.39490	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.9
57.03326	0.5
58.00003	0.3
59.01250	100.0
60.01585	0.8
70.04684	0.3
71.01255	6.3
72.99178	0.4
73.02814	3.2
78.30193	0.2
83.01248	1.6
85.02818	4.0
86.00006	0.3
87.00745	0.4
89.02339	0.5
93.03327	0.3
95.01286	0.6
96.95924	0.3
97.02861	0.3
98.32586	0.2
99.00754	1.2
101.02322	7.3
113.02332	3.0
133.04968	0.3
153.51320	0.3
159.02858	0.3
161.04437	1.9
163.87234	0.3
199.03888	0.3
221.32816	0.3
229.80826	0.3
263.14969	12.7
264.15485	0.6
267.02887	0.3
296.03342	0.4
297.04147	1.0
305.16058	3.3
333.08102	0.4
348.26160	0.3
467.75415	0.4
532.63556	0.3
605.14819	0.5
699.20258	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.1
57.03326	2.1
58.00471	1.3
58.24103	0.3
59.01252	56.9
60.01611	0.4
69.03353	0.4
69.32863	2.6
69.33271	0.6
71.01251	32.0
72.99193	1.7
73.02817	10.1
80.96407	0.8
83.01257	4.3
85.02823	12.9
85.99961	0.5
87.00748	3.3
89.02313	16.1
90.02680	0.4
95.01262	3.0
96.95898	0.6
97.02832	1.0
99.00757	2.1
101.02321	19.0
107.04922	1.3
111.00774	0.7
113.02327	14.4
119.03383	5.1
122.03617	0.4
124.01575	0.7
125.02362	1.0
129.01820	0.6
129.58992	0.3
131.03426	0.3
135.04410	23.8
136.04755	0.6
143.03412	0.9
147.04466	0.4
148.05200	0.3
159.04422	1.4
160.05214	0.4
161.04480	0.7
172.05203	0.4
173.06046	0.7
174.06758	4.8
175.07591	2.0
188.08406	0.9
189.09137	23.8
190.09492	1.3
209.02905	0.3
209.11768	0.8
213.09084	0.6
256.14664	11.9
257.15042	1.0
258.16208	3.9
271.16995	3.7
272.17484	0.4
274.15741	16.9
275.16080	1.2
289.18100	7.9
289.21060	0.2
290.18442	0.6
296.03192	0.3
349.01617	0.3
360.52878	0.3
418.19943	12.8
418.25558	0.6
419.20041	1.5
433.22281	38.3
434.22562	4.2
436.20990	18.6
437.21371	2.4
451.23346	68.8
452.23691	8.2
452.29959	0.4
478.22043	3.3
493.24399	100.0
494.24722	13.1
523.45477	0.3
537.23462	10.0
538.23730	1.3
574.88965	0.4
595.27191	1.5
613.28882	0.7
699.28693	10.1
700.29285	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	699.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02257	0.5
65.00184	0.7
76.52219	0.5
79.95582	0.6
80.96373	2.0
85.02810	1.1
93.03329	7.6
96.95847	0.6
117.03363	0.9
119.04908	0.5
121.02789	0.5
132.02045	0.7
143.04900	0.8
145.02815	0.6
147.04475	0.9
151.00198	0.6
154.06110	1.0
163.00285	3.5
169.06482	1.2
171.04411	3.5
175.00285	0.6
181.06502	0.6
183.04425	1.3
187.03963	0.7
197.05965	1.5
199.03854	1.4
200.04810	0.8
211.03923	2.1
212.04689	0.8
213.05513	1.8
223.04102	0.6
224.04739	0.7
225.05522	2.4
226.02628	1.1
227.03474	2.9
228.04173	1.8
229.04990	0.7
239.03441	6.2
240.04181	1.9
241.05022	8.2
242.05309	1.1
253.05182	0.7
254.02045	0.7
255.03006	3.0
257.04431	3.9
265.28369	0.5
267.02975	4.2
268.03827	4.3
269.04480	7.1
270.05298	0.6
285.04169	1.3
285.99594	0.5
289.08752	0.7
296.03259	5.0
297.04065	8.6
317.08081	1.6
317.53278	0.5
318.08447	0.7
318.52322	0.6
333.07675	51.2
334.08044	5.1
344.06583	0.6
361.07162	49.9
362.07697	8.9
363.08392	0.9
389.06506	1.0
390.07434	49.5
391.08206	57.2
392.08539	4.1
433.09299	0.9
498.65283	0.6
605.14954	9.3
606.15210	1.1
699.19257	100.0
700.19531	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	699.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80647	0.3
63.02276	0.8
65.00172	0.5
68.99703	0.5
71.13755	0.9
72.34797	0.4
75.40219	0.4
76.62645	0.4
85.02843	0.4
93.03329	11.2
103.17371	0.4
107.01216	0.5
119.01234	0.5
121.02789	0.5
123.00803	0.5
123.04408	1.6
131.14154	0.4
132.02104	0.9
133.02847	1.7
135.00754	2.0
136.01576	0.5
137.02324	0.8
143.04926	3.3
148.01541	0.7
149.02258	0.5
155.04926	0.9
158.03647	0.6
163.00275	16.0
167.04965	0.6
169.06497	1.0
171.04518	2.1
173.05991	1.7
175.00212	0.4
176.01067	3.9
177.01883	1.1
180.05725	1.0
181.06516	2.0
183.04448	3.1
185.06006	0.8
195.04427	1.8
196.05209	1.5
197.06007	9.8
198.03200	1.0
198.06363	1.0
199.03944	23.7
200.04295	1.1
201.05498	4.5
202.05849	0.4
204.00598	1.4
209.06013	0.6
210.03194	0.7
211.03932	2.4
212.04662	1.0
213.05588	3.7
213.56425	0.5
223.03949	2.0
224.04791	3.5
225.05495	11.8
226.02724	0.7
226.05843	0.6
227.03439	12.1
228.03871	0.6
229.04907	0.4
239.03447	5.8
240.04216	3.2
241.05026	12.6
242.05367	1.3
251.03470	1.7
252.04231	0.7
253.05002	5.4
254.02299	0.8
254.05458	0.7
255.03004	3.1
256.03683	0.6
257.04562	1.3
267.02960	23.1
268.03671	5.1
269.04550	26.4
270.05032	2.0
281.04816	0.6
284.03107	0.7
285.04147	2.4
289.08728	0.5
295.02444	6.0
296.03244	19.9
297.04028	90.8
298.04407	6.7
333.07669	35.8
333.11795	0.7
334.08292	3.3
345.07724	0.8
361.03732	0.3
361.07138	11.9
362.07742	2.8
390.07440	24.7
391.08173	24.4
392.08499	2.3
465.34979	0.5
605.15131	33.9
606.15369	4.4
699.19263	100.0
700.19519	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	699.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07289	0.7
59.01260	1.0
59.85571	0.7
63.02302	0.8
67.34904	0.6
68.64919	0.6
69.05509	0.6
70.72379	0.6
71.15286	1.6
71.45978	0.6
75.20390	0.7
75.60792	0.6
83.01208	0.5
83.61586	0.6
85.02832	1.3
93.03320	4.7
101.02379	0.6
107.01224	0.6
119.68204	0.6
121.02853	0.7
135.04443	0.7
143.04906	2.1
147.04381	0.9
163.00256	2.7
169.06497	0.8
171.04393	1.0
173.06029	1.2
176.01067	1.5
181.06531	1.4
183.04428	4.0
185.05931	0.9
195.04437	1.9
196.05261	0.9
197.06036	5.6
198.03316	0.9
199.03955	14.3
200.04262	0.9
201.05568	3.3
211.03938	2.2
213.05508	4.3
223.03951	1.3
224.04778	1.9
225.05493	6.5
226.02678	0.9
227.03441	21.4
228.03876	1.5
239.03477	7.5
240.04070	3.0
241.05043	8.2
251.03427	1.2
253.05103	1.6
255.02977	5.3
257.04520	1.8
267.02972	18.0
268.03665	3.9
269.04547	13.4
270.04968	1.3
285.03989	2.0
289.08792	1.5
295.02444	5.6
296.03238	21.6
297.04031	55.0
298.04361	2.3
317.07938	1.3
333.07672	100.0
334.08038	9.8
345.07828	1.9
353.49207	0.7
361.07159	29.1
362.07840	10.2
363.08444	0.8
389.06860	1.0
390.07428	69.0
391.07999	15.2
392.08496	1.0
441.08450	1.0
463.19608	0.7
477.19037	1.0
605.15106	30.2
606.15857	3.6
699.19287	92.1
700.19586	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	697.4756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52615	0.2
57.03321	0.6
58.00472	1.0
59.01259	0.8
59.32568	0.2
71.01256	0.7
73.02813	0.3
80.02553	0.8
81.03336	0.8
83.04900	3.5
84.02042	1.1
85.02840	0.7
86.82610	0.2
95.04893	0.4
96.95901	0.5
97.31637	0.2
107.59490	0.2
109.06441	0.3
125.06001	0.5
125.09602	2.8
127.11177	5.0
133.02831	0.2
135.08066	0.5
137.09621	0.7
139.11107	0.5
153.09102	0.3
155.10696	2.0
157.12280	0.6
163.03955	0.3
163.11223	2.5
164.11511	0.3
165.09113	2.7
165.12752	2.0
171.10187	2.3
173.84653	0.3
181.12280	0.5
183.10202	1.0
191.01852	0.3
191.10675	0.9
197.11681	0.4
199.09752	1.7
201.11252	100.0
202.11604	4.2
209.11766	68.6
210.12109	3.6
224.77188	0.2
225.11346	0.4
227.12837	30.2
228.13148	2.0
243.12511	0.3
244.12503	0.3
245.13907	41.5
246.14249	2.4
433.31955	0.3
451.32803	3.0
484.11957	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.3
59.01255	100.0
60.01580	1.2
61.98713	9.9
64.52042	1.0
70.44891	4.7
71.01260	16.6
72.68945	1.0
73.02837	4.1
75.00741	1.6
78.95793	4.1
83.01265	2.4
85.02829	5.7
89.02332	5.4
96.95921	1.3
98.19831	1.1
99.00781	1.6
101.02328	12.9
113.02341	6.1
119.03382	1.3
120.49879	1.2
141.55205	1.1
145.60081	1.2
152.99544	3.3
160.17604	1.0
161.04462	3.9
193.86604	1.3
197.18948	5.1
223.13358	3.1
247.13327	1.1
248.55466	1.1
251.20126	3.0
277.14420	1.8
334.21884	1.5
340.84064	1.1
409.18820	2.6
416.43002	1.2
421.18509	1.2
439.19891	1.9
475.34354	5.7
619.38513	12.2
637.39575	55.4
638.40051	8.9
697.33057	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	697.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.3
57.03318	2.2
58.00472	2.6
58.44164	1.8
59.01250	100.0
63.67611	1.5
69.03305	1.6
69.92108	6.2
69.92517	3.9
71.01255	44.3
71.04942	1.7
72.99185	4.8
73.02840	9.1
75.00714	1.8
78.00559	1.5
78.95769	8.5
83.01258	4.7
85.02819	15.6
85.99998	1.7
87.00752	7.1
88.98643	1.9
89.02316	30.5
95.01267	3.9
97.02827	2.2
98.95205	1.7
99.00777	2.6
101.02320	29.3
113.02338	17.3
119.03424	11.5
119.04919	1.6
121.02848	2.1
125.02316	2.5
143.03290	2.2
152.99463	4.2
161.04448	6.8
163.95425	1.6
179.05673	2.4
269.21158	2.2
272.34103	2.3
287.22260	13.0
302.74185	1.9
353.08633	1.9
362.35684	2.0
395.12518	1.9
431.26590	21.8
449.27484	14.5
457.33185	6.2
491.28314	7.8
593.31769	8.6
611.32843	9.8
619.38483	92.2
620.38947	12.6
633.82629	2.1
637.39496	35.7
638.39825	7.7
653.33881	53.2
654.34607	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	697.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46081	1.7
57.03315	2.2
59.01253	100.0
61.98708	22.4
71.01255	27.5
71.57372	3.1
72.99178	4.4
73.02822	4.9
75.00732	2.3
75.98388	1.9
78.95795	9.1
83.01276	2.4
85.02807	8.8
89.02325	21.2
91.01589	2.0
92.70074	1.6
96.95891	3.7
101.02341	19.3
102.95971	1.6
110.21709	1.7
113.02308	10.2
119.03391	7.8
121.02897	3.2
151.61794	1.8
152.99492	6.4
161.04454	2.9
179.05475	3.5
190.13904	2.0
227.12656	2.5
399.28708	2.1
417.30304	2.7
457.33444	2.1
475.34372	4.3
476.34180	2.0
601.37109	3.0
619.38043	10.9
637.39539	78.7
638.40039	11.6
697.34045	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	697.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00469	1.1
59.01251	100.0
60.01600	1.3
61.17960	1.0
61.98706	8.3
69.29664	5.7
69.30099	4.7
71.01252	26.8
71.01655	1.3
72.01523	1.1
72.99181	2.4
73.02805	5.3
75.00744	3.0
78.95784	4.6
83.01253	3.5
85.02823	9.9
87.00747	1.1
87.82510	0.9
89.02315	10.0
95.01276	1.7
96.95881	3.6
99.00760	2.2
101.02330	16.3
102.76974	1.1
113.02328	8.4
114.56659	0.9
119.03384	3.4
121.02831	1.1
152.99466	4.7
159.02846	2.0
161.04491	8.9
163.55399	1.2
176.91479	1.0
179.05479	1.5
231.13850	1.2
278.24576	1.0
308.92010	1.1
448.84778	1.0
457.33255	1.8
475.34409	2.1
546.63928	1.2
601.37622	1.8
619.38544	8.8
637.39563	98.7
638.39886	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28505	1.4
55.01761	2.0
57.03317	2.7
58.00469	2.4
59.01255	100.0
60.03368	1.9
61.98692	10.2
70.98571	4.6
71.01260	40.9
72.99182	1.7
73.02827	7.6
75.00739	2.1
78.51263	1.7
78.95773	11.9
83.01263	3.8
85.02831	12.4
87.00765	3.3
89.02319	23.0
95.01281	2.1
96.95933	3.5
99.00757	3.4
101.02340	21.2
106.47568	1.6
113.02339	12.9
119.03386	7.9
133.05008	1.5
143.03433	1.7
152.99513	4.9
159.02856	2.5
161.04491	5.5
179.05591	2.1
248.64282	1.7
415.26770	1.9
431.26379	7.1
457.33261	2.3
589.37421	15.1
590.36981	2.7
607.38568	10.0
619.38507	76.2
620.38898	15.0
637.39484	31.8
638.39795	4.4
697.33624	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	697.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01581	1.3
61.98691	5.4
64.39981	1.0
68.63081	0.9
71.01261	4.9
71.58204	2.0
75.00758	2.0
78.95782	3.3
85.02837	2.1
89.02332	4.0
94.12347	1.2
101.02339	3.5
113.02350	1.9
119.03389	1.6
121.02888	2.3
122.85158	1.0
152.99541	2.2
161.04454	2.8
179.05582	1.6
200.31328	1.0
255.23300	1.5
296.38434	1.0
320.55994	0.9
336.04086	1.0
348.81845	1.0
438.17853	2.3
439.32205	1.7
476.83127	1.2
619.38593	3.3
637.39288	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	697.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77953	1.8
55.01766	2.1
55.21696	1.9
57.03315	4.6
59.01254	99.2
60.01596	2.2
60.38816	1.9
61.98705	12.1
71.01257	45.3
71.58332	3.1
72.01627	2.5
72.99181	3.2
73.02821	11.8
75.00736	3.1
78.95791	14.4
83.01266	6.3
85.02822	22.2
87.00787	2.8
88.98716	2.5
89.02329	15.2
95.01260	4.5
96.95902	4.1
99.00798	3.2
101.02327	26.9
113.02356	19.2
119.03399	6.2
121.02859	3.4
152.99513	7.5
159.02853	2.6
161.04477	7.0
218.62469	1.8
220.73712	1.7
221.11801	20.0
238.06277	2.1
241.98903	2.3
253.21725	2.7
289.73013	2.0
400.26627	2.1
403.13571	2.4
422.67053	2.5
457.33121	6.6
475.34256	4.4
619.28082	3.2
619.38470	92.3
620.38538	9.6
637.39587	100.0
638.40155	12.0
698.34436	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	697.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83768	2.3
59.01254	84.0
59.06823	2.6
61.98698	3.3
62.28059	2.7
66.05421	2.6
69.52480	6.2
69.52887	17.8
71.01255	28.6
73.02824	7.5
74.61871	2.8
75.00768	2.8
78.95772	12.6
83.01239	6.1
85.02854	13.5
89.02309	13.7
93.05211	2.9
101.02320	22.9
113.02325	11.7
152.99490	4.4
161.04486	4.1
171.10185	3.2
191.01683	2.5
255.23380	4.5
261.14902	6.6
342.06085	2.6
355.17581	10.8
423.19965	13.6
619.38635	8.7
637.39655	100.0
638.39911	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	697.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09819	0.6
51.49035	0.7
56.75252	0.6
57.03319	0.7
58.00465	1.3
59.01254	14.9
62.85016	0.6
66.39487	0.7
69.45394	0.6
71.01257	15.2
72.99188	1.1
73.02822	3.9
75.00765	0.7
78.95773	2.8
80.96357	0.7
85.02824	1.8
87.00752	1.5
89.02324	3.3
89.10165	0.6
93.03343	8.1
93.89955	0.7
99.00771	1.7
101.02314	6.1
110.40000	0.7
113.02333	5.6
115.05463	1.2
119.02540	0.6
119.03381	1.9
119.04886	3.4
125.02381	1.2
130.04134	1.8
131.04933	1.5
133.06528	1.1
143.03400	1.0
143.04915	1.0
145.06461	2.1
152.99503	1.6
161.04456	2.4
171.96309	0.7
173.06017	3.2
180.14554	0.6
187.33568	0.6
237.22104	0.9
239.23767	3.2
242.23692	0.7
249.09177	21.5
250.09492	1.8
251.10670	1.1
251.23691	1.5
255.23279	70.5
256.23639	5.5
261.09183	2.9
263.10709	1.3
265.25430	1.0
266.21329	0.7
267.23334	5.0
269.24847	100.0
270.25244	8.2
279.10278	6.9
279.23248	7.4
280.23889	0.8
297.24335	26.9
298.24713	1.6
309.24225	1.6
313.23840	8.5
321.11496	3.2
327.25339	2.7
351.25314	1.1
357.26364	1.0
423.14316	1.5
441.15463	2.9
472.84717	0.6
679.38354	4.6
680.39258	1.0
697.38837	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	697.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32632	0.3
53.50637	0.3
57.24581	0.2
59.01277	0.3
59.63392	0.3
60.19986	0.3
68.17949	0.3
69.03336	0.6
69.82388	0.3
71.58168	0.4
72.01338	0.3
78.95782	1.1
91.01818	0.3
102.74586	0.3
114.42041	0.3
119.04929	1.3
121.02846	100.0
122.03190	2.5
143.04906	0.4
145.06500	1.8
147.04433	0.8
152.99484	0.5
161.04607	0.3
161.05969	0.6
164.45160	0.3
198.30138	0.3
251.10847	0.7
255.23289	3.7
256.23590	0.4
277.21732	0.4
297.11319	55.5
298.11679	4.1
308.15930	0.3
313.00757	0.3
405.97830	0.3
441.15729	0.6
498.50009	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00459	1.4
59.01250	30.1
71.00884	1.1
71.01256	14.2
71.01651	0.7
71.57628	0.9
72.99186	1.2
73.02819	1.3
75.00726	0.9
83.01263	3.5
85.02817	5.1
87.00755	1.1
89.02317	11.8
93.03394	0.6
95.01267	1.4
95.04900	4.9
96.95870	1.1
99.04398	1.1
101.02306	6.9
105.03363	0.8
107.04903	1.7
108.20316	0.5
111.00768	1.1
111.04395	0.8
113.02333	5.1
116.92741	5.4
119.03391	4.6
121.01382	0.6
121.02858	1.2
123.04410	100.0
124.04707	3.2
126.99461	6.1
133.04941	0.7
135.04451	1.3
143.03423	0.8
149.06004	0.7
157.06409	0.7
161.04498	1.2
161.13257	6.9
165.05467	0.8
169.10150	1.1
179.05609	1.3
187.09526	1.1
187.11201	17.8
188.11563	0.9
205.12276	8.3
206.12578	0.7
229.12228	1.9
231.10265	2.7
235.98116	0.7
247.13187	0.7
249.11389	4.5
291.12360	1.3
349.16632	3.3
389.24847	0.6
393.15619	3.0
411.16559	0.7
473.21826	0.8
517.20764	44.3
518.21161	6.0
654.24622	0.6
697.27148	16.6
698.27875	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	697.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02050	0.4
55.01752	0.6
57.03314	0.6
58.00465	1.1
59.01252	18.8
61.05921	0.4
66.17683	0.4
68.99671	0.6
69.71051	2.3
71.01250	15.5
72.99181	2.3
73.02813	1.2
75.00746	8.6
79.37954	0.4
83.01250	1.3
85.02821	5.8
85.06495	0.9
87.00741	1.3
89.02315	14.6
93.03333	10.8
95.01277	1.6
95.04898	0.5
96.95879	2.0
99.00722	0.7
100.97053	0.4
101.02326	8.1
101.05985	0.6
108.02065	0.5
113.02344	5.9
119.03381	4.8
121.02855	0.8
123.04414	12.6
129.05472	100.0
130.05807	2.9
136.01593	1.6
137.02348	19.2
148.63356	0.5
150.03094	0.5
161.04417	1.0
165.05568	0.6
191.01886	1.5
191.03468	0.6
207.10231	0.4
209.02998	1.0
235.15559	0.4
237.06122	8.1
281.06677	18.1
282.06976	0.9
309.11905	13.0
310.12314	0.9
387.10883	0.7
405.11871	24.9
406.12177	2.8
516.35132	0.5
517.17145	30.2
518.17297	4.0
625.17914	1.4
641.17157	0.6
697.23535	3.8
698.23816	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46478	0.7
67.01765	2.0
69.64754	1.5
69.65152	4.8
72.15042	0.6
72.99178	6.0
73.02821	1.2
83.01259	2.7
85.02337	1.4
85.02823	19.0
89.66042	0.8
91.58031	0.8
96.95873	1.0
99.00740	2.5
101.02312	2.0
111.00762	100.0
112.01099	2.4
117.01814	1.1
119.04929	4.8
119.94244	0.9
129.01833	5.9
151.00035	3.2
154.99760	15.5
163.03900	3.1
168.64174	0.7
173.00833	77.1
174.01169	2.1
178.06364	0.8
185.02156	1.7
191.01883	14.4
194.99059	14.2
271.05829	1.1
337.05606	17.8
338.05936	1.0
359.03729	4.5
369.00769	3.2
533.05200	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	697.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98813	0.2
53.39767	0.3
59.01250	100.0
60.01585	1.0
61.98690	0.5
71.01270	0.4
71.47131	0.3
73.02830	0.3
82.95313	0.4
83.01344	0.2
85.02824	0.5
89.02322	0.4
93.05585	0.3
96.95906	0.4
101.02369	0.3
102.05481	0.5
109.06481	0.7
121.02839	2.2
125.00146	0.3
149.01324	0.3
171.10185	10.5
179.14301	0.2
185.11917	0.4
187.87392	0.2
191.03510	0.8
209.04465	1.4
209.11928	0.3
249.73602	0.3
253.09358	1.1
289.18097	5.4
289.21045	0.4
307.19290	0.7
355.12988	0.3
377.71976	0.3
593.13226	0.8
665.34015	0.4
697.38202	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14246	0.4
55.01766	0.8
57.03339	0.8
59.01252	100.0
60.01591	0.7
61.98689	0.5
65.77919	0.5
69.10720	0.4
69.59601	2.5
69.60020	0.8
71.01257	11.7
73.02833	3.2
75.00740	0.5
78.95763	2.1
83.01275	1.2
85.02830	5.2
87.00778	0.8
89.02344	2.0
95.01275	1.0
96.95898	1.3
97.02837	0.6
99.00775	1.5
101.02322	7.2
113.02329	5.4
119.03399	0.8
125.02379	0.6
139.94055	0.5
143.03426	0.6
152.99510	1.5
159.02936	1.1
161.04471	11.6
179.05638	0.4
199.09695	0.5
205.03471	0.7
252.37379	0.5
389.24548	0.5
441.34204	0.6
572.87164	0.5
603.39490	0.7
635.41412	4.8
636.42181	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.422
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46849	0.6
55.01754	3.3
57.03328	5.2
58.00463	1.3
59.01249	88.0
60.01574	0.6
61.08862	0.5
61.98692	1.8
69.03326	2.1
70.87888	1.5
71.01252	49.5
72.01585	0.5
72.99167	3.6
73.02819	13.5
75.00741	0.7
78.95780	2.9
81.03352	0.8
83.01255	9.2
85.02821	35.6
85.99986	1.1
86.03178	0.8
87.00750	5.1
89.02313	10.5
95.01264	6.1
96.95885	1.8
97.02827	3.5
99.00751	5.9
101.02319	33.7
102.80379	0.5
111.00771	5.6
112.01575	1.2
113.02325	26.1
114.60608	0.5
119.03392	3.6
119.83224	0.5
124.01543	2.1
125.02338	6.8
129.01791	0.9
133.04980	0.5
136.07645	0.6
141.01843	0.8
142.02631	0.6
143.03391	4.7
147.02942	0.9
152.99585	0.7
155.98682	0.5
159.02893	3.2
161.04478	5.6
165.79243	0.5
171.00537	1.0
171.10197	1.5
179.05603	0.8
191.01857	3.4
209.02943	1.2
209.11707	0.7
211.13304	0.9
267.23172	0.7
283.26392	1.7
329.30573	2.3
473.34918	4.7
474.34943	0.6
491.35791	11.7
492.36063	1.1
533.37054	0.6
561.36377	1.2
599.38171	1.2
605.38971	0.8
635.40094	100.0
636.40411	15.2
653.41150	73.5
654.41479	11.9
695.42377	11.6
696.43127	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	695.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89284	0.7
53.58855	0.8
55.01750	1.3
57.03332	1.3
58.00448	1.3
59.01254	100.0
61.08288	0.8
61.98702	0.9
69.32749	0.8
71.01253	21.3
71.58137	1.0
71.58509	1.1
72.99185	2.6
73.02826	4.1
78.95789	3.6
83.01271	2.2
85.02829	7.1
87.00763	1.0
89.02322	16.5
95.01291	1.9
96.95898	1.6
99.00760	1.7
101.02327	15.0
113.02338	8.6
119.03402	7.3
121.02812	1.2
131.03404	0.9
131.63423	0.8
133.87228	0.9
152.99506	2.3
155.10678	1.4
156.34914	1.0
161.04504	2.1
177.44449	0.9
179.05569	4.1
193.52773	0.9
222.20493	1.1
325.21469	2.2
429.24890	1.3
437.30762	1.5
455.31778	1.6
599.36053	1.6
617.36975	68.1
618.37347	9.9
635.38007	25.2
636.38330	3.4
695.36804	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	695.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42950	1.0
55.01736	1.4
56.34632	1.0
57.03309	1.5
59.01252	100.0
61.98699	2.6
63.85580	1.0
70.91079	2.4
70.91422	1.5
71.01254	18.1
72.99178	1.2
73.02819	5.5
75.00738	1.7
78.33712	1.0
78.71317	1.1
78.95767	3.4
83.01269	3.5
85.02836	9.6
87.00732	2.1
89.02319	4.9
96.95869	1.4
99.00766	2.5
101.02331	12.8
113.02332	6.4
119.03336	1.7
125.42826	1.2
129.83055	1.2
152.99522	1.3
161.04498	6.9
181.15800	3.3
242.13287	1.3
247.17070	2.9
425.30627	2.4
429.33521	1.8
439.19568	4.5
455.31662	1.4
525.68872	1.5
587.35913	12.3
591.38971	5.0
617.36987	5.8
635.38031	44.4
636.38049	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	695.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.2
57.03329	1.9
58.00482	2.3
59.01255	100.0
61.98714	2.5
62.09067	1.0
62.58351	1.0
63.10275	1.0
64.72925	0.9
71.01257	34.6
71.57639	1.6
72.99186	3.9
73.02825	3.7
76.40060	1.0
77.26020	1.1
78.95791	4.2
83.01241	2.0
83.62450	1.0
85.02821	8.7
87.00780	2.0
89.02323	37.9
95.01302	2.7
96.95911	2.5
96.96833	1.3
99.00768	2.0
101.01684	2.1
101.02326	23.2
112.33058	1.1
113.02338	14.8
119.03410	16.2
121.02901	2.0
126.58218	1.0
131.03386	2.4
133.05037	1.2
143.03444	1.8
147.04446	1.5
152.99507	1.1
161.04498	3.5
179.05539	7.5
183.55367	1.2
191.38319	1.3
219.59393	1.2
221.11876	4.0
272.14276	1.4
273.15063	1.2
285.15128	2.0
455.31787	3.8
473.32776	1.5
534.28589	1.7
589.54285	1.1
599.35333	1.3
617.36969	50.0
618.37323	11.0
635.37994	51.3
635.48499	2.6
636.38263	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	695.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94806	3.7
59.01249	100.0
60.01516	3.5
65.48344	3.6
69.52190	27.7
71.01257	30.6
73.02832	5.7
76.06612	3.6
78.95766	12.3
85.02808	13.2
88.07465	3.5
88.98705	4.8
89.02318	25.0
95.01262	5.8
101.02319	28.0
102.00092	4.1
113.02325	15.9
119.03403	19.3
124.19486	4.2
141.22064	3.5
152.99510	8.9
161.04451	10.8
161.05847	3.4
177.09074	6.8
195.10226	13.2
255.23328	8.6
275.23734	8.9
291.36459	3.8
355.17587	5.1
357.15637	25.9
377.13577	4.1
573.37848	4.3
591.38806	6.3
635.38025	90.1
636.38495	17.2
684.25330	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45597	0.4
59.01248	100.0
60.01589	1.0
60.48610	0.4
61.98714	0.4
67.68890	0.4
69.22483	0.4
70.23077	1.3
72.41678	0.4
78.95772	11.5
79.95622	0.8
80.96391	3.5
94.97945	0.6
164.98521	0.7
177.27931	0.4
205.15874	1.1
210.62537	0.4
225.00677	0.9
243.04634	0.4
258.97766	0.4
275.49435	0.4
302.18896	0.4
447.12729	0.5
503.51797	0.4
653.29749	0.8
695.30823	38.6
696.31158	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	695.1465
Annotation	Quercetin 3-(6''-malonylneohesperidoside)
Peak:m/z	Relative Intensity
61.33797	1.2
70.86587	2.1
70.86953	2.7
74.37417	1.1
79.06413	1.2
85.02841	1.6
85.99432	1.2
95.40590	1.2
96.95899	3.1
116.04935	2.1
118.68777	1.3
119.04937	1.7
128.03458	3.0
143.04514	5.2
148.01482	2.3
151.00293	2.9
163.03926	2.3
178.99763	4.5
203.08159	2.9
209.33824	1.4
216.57874	1.3
222.26099	1.3
226.02684	1.8
229.73988	1.2
243.02896	6.8
254.02113	2.7
254.07927	1.5
255.02959	20.3
271.02478	47.2
272.02979	4.4
299.02081	1.6
300.02740	100.0
301.03220	10.3
306.07523	8.5
307.07993	4.7
309.12418	5.5
606.96582	1.7
609.14606	2.6
651.15570	60.5
652.15997	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	693.4608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02752	3.1
59.01253	100.0
61.59149	4.5
62.02226	3.6
64.72615	4.7
69.60045	28.2
71.01250	24.2
72.99159	4.5
73.02805	7.0
78.95778	23.9
85.02826	9.5
87.00756	7.8
89.02325	13.4
89.16325	3.2
89.36191	3.5
96.95870	5.3
96.96893	3.5
99.00740	4.2
101.02333	15.7
113.02318	9.5
115.75626	3.5
119.03432	4.4
121.02785	4.2
121.10013	3.3
125.09556	4.2
134.27959	3.3
137.09534	4.4
152.99492	7.2
167.14240	6.2
171.10162	17.1
172.10599	4.3
199.48930	3.5
251.16476	4.2
251.66095	3.9
275.20187	7.7
276.20480	7.6
291.19519	11.2
293.21213	9.6
294.21576	11.1
295.22305	11.6
299.87598	3.9
309.20721	42.5
332.69894	3.8
343.34769	3.6
397.13348	5.2
398.13718	6.2
399.13916	13.0
417.15350	7.4
425.21588	4.7
453.30109	6.0
454.01099	4.0
471.31363	4.7
593.42072	5.0
615.35443	6.1
633.36658	38.3
634.38098	11.7
693.37616	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	693.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51433	0.9
50.83797	0.9
57.03317	3.7
59.01252	100.0
61.98698	3.4
64.73264	1.0
69.03310	1.3
69.14697	0.9
71.58381	1.9
75.88892	0.9
76.53031	1.2
78.95766	8.8
79.05408	1.6
82.95318	1.2
83.04906	2.2
92.32668	0.9
96.63013	0.9
96.95895	3.1
96.96883	0.9
97.13974	1.0
97.33874	1.0
98.95501	1.1
100.14038	0.9
107.04929	1.4
109.06454	1.2
123.08059	1.5
132.05698	1.3
135.08022	1.1
137.09631	2.5
139.12416	1.0
143.44843	1.1
147.08115	1.5
147.60187	1.0
149.98135	1.0
150.06801	3.3
152.99492	1.6
187.14757	1.3
196.89386	1.2
231.13887	2.6
241.15912	1.7
273.18533	1.6
280.56747	1.6
281.19211	5.8
292.18411	2.2
297.15317	2.1
307.20670	3.0
307.96445	1.0
325.21710	35.8
326.22122	2.5
341.21292	1.3
342.21954	6.8
343.22751	35.1
344.23074	4.0
554.79010	1.2
595.28656	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	693.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
67.22021	1.4
71.01252	14.4
72.99186	1.4
73.02818	4.3
75.00734	2.7
78.79375	1.4
78.95782	6.8
81.91783	1.2
85.02822	4.7
87.00746	2.8
88.98692	2.0
89.02316	4.7
96.95872	1.9
99.00780	2.4
101.02323	11.4
113.02323	7.2
133.44661	1.3
143.03424	2.2
152.99548	6.7
159.02905	2.6
161.04457	11.4
196.70183	1.7
277.21747	2.5
279.23120	2.0
433.23279	1.8
546.97034	1.4
550.58716	1.3
596.44232	1.4
633.39130	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	693.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
62.35474	2.6
71.01257	17.3
71.57616	3.3
78.95781	67.0
83.01262	2.9
85.02811	3.2
89.02316	7.3
96.95897	19.0
96.96840	5.4
97.06587	2.3
98.95479	14.7
98.96299	2.4
99.92487	9.8
101.02322	12.6
109.47596	2.3
113.02330	5.0
115.91958	9.9
116.92754	12.3
117.92756	2.6
151.78577	2.2
152.99481	19.5
161.04494	4.3
179.84964	2.2
179.89145	15.3
180.89912	15.7
195.17506	3.5
196.89418	18.7
205.90633	2.5
206.91597	2.4
220.68504	2.3
235.91704	2.2
236.92590	2.9
241.01173	3.8
245.11816	3.3
258.12158	2.9
277.21652	12.2
278.22156	4.1
279.22998	2.3
303.85703	2.6
306.92926	2.7
324.94165	10.2
407.17084	8.0
410.15765	4.4
420.18042	3.7
423.20068	13.2
425.18204	10.1
427.32077	3.6
437.17804	2.5
453.29706	3.6
497.14056	7.3
514.14459	2.4
573.20807	2.4
589.37457	59.5
590.37848	7.1
593.27161	11.7
595.28278	6.8
615.35083	13.2
633.36456	57.2
634.36792	5.3
640.73297	2.3
657.17609	4.2
693.19678	21.3
694.19531	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	693.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82419	0.5
55.01737	0.7
58.00463	1.0
59.01254	25.3
69.03306	1.0
71.01257	14.9
71.57543	0.9
72.99167	1.5
73.02811	2.4
75.00763	1.1
78.95779	3.9
79.01634	0.6
80.15347	0.6
80.16599	0.7
83.01260	1.5
85.02813	3.5
87.00285	0.5
87.00735	3.2
89.02322	12.5
90.43607	0.6
93.33351	0.6
95.01250	1.3
96.95892	0.6
97.02816	1.9
97.06425	0.6
97.61771	0.5
99.00754	0.7
99.77837	0.6
101.02335	10.4
106.67979	0.6
113.02325	6.2
113.09600	1.3
114.27352	0.7
119.03391	3.2
125.02350	3.1
131.03409	0.6
133.05006	0.6
141.01830	0.7
143.03392	2.0
152.99535	1.5
161.04472	2.4
169.53021	0.7
171.10193	4.1
179.05534	2.0
195.13832	12.0
235.08237	3.6
253.09250	1.7
259.09796	1.1
263.07675	0.9
274.12201	4.9
277.21729	15.9
278.22302	1.0
287.07611	0.8
294.21964	0.6
295.22781	100.0
296.23160	7.5
397.13513	22.9
398.13797	1.3
399.14105	0.7
415.14636	19.7
416.14731	1.3
611.28290	2.0
633.36444	2.6
693.37531	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.3
57.03313	0.8
58.00467	0.7
59.01251	17.7
60.01579	0.4
64.31842	0.3
69.03326	0.6
69.40290	2.9
71.01254	11.7
72.99192	0.8
73.02821	2.4
75.00745	0.8
78.95786	2.3
81.03347	0.4
83.01254	1.2
83.04912	0.5
85.02821	2.3
87.00750	2.5
89.02319	9.6
95.01253	0.8
96.96895	0.3
97.02813	1.7
99.00752	0.9
101.02325	8.8
111.04397	0.3
113.02335	4.3
113.09619	1.5
119.03400	2.7
125.02325	2.9
131.03320	0.7
139.03885	0.3
141.01869	0.3
143.03407	1.5
152.99510	1.5
161.04483	2.2
179.05519	2.1
179.14365	0.9
193.61401	0.3
195.13834	13.7
196.14130	0.8
221.06612	0.7
235.08171	3.0
251.23692	0.3
253.09280	1.3
263.07709	0.5
277.21741	13.2
278.22113	1.1
287.07675	0.6
295.22781	100.0
296.23151	7.0
305.08725	0.7
309.20789	0.6
323.09631	0.4
397.09335	0.3
397.13507	18.1
398.13687	1.5
415.14575	18.7
416.14944	1.3
611.28595	1.0
633.36957	0.7
693.36200	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	4.1
71.01241	1.4
71.57973	2.0
80.04918	6.8
82.02854	2.3
85.02823	5.6
94.02859	29.3
94.06511	2.5
95.04919	1.1
96.95895	3.3
98.20021	1.2
104.04907	3.6
106.06513	2.8
107.03637	4.8
108.04408	6.0
111.00753	2.6
120.04444	1.4
121.05177	2.4
122.06006	32.8
123.06380	1.4
124.04009	1.1
124.07550	3.2
132.04465	5.6
133.04924	1.5
134.05302	1.0
134.06030	10.1
135.04410	2.9
136.03961	1.3
136.07585	33.5
137.07928	2.3
138.05522	8.6
139.02631	1.3
146.05977	3.0
147.03081	2.3
148.03951	2.7
150.05476	6.8
151.05861	1.6
152.07068	71.8
153.07391	2.4
158.02350	6.4
160.03957	1.8
162.05489	2.1
168.06549	3.9
173.00816	1.8
173.04694	1.6
174.05499	3.0
175.04002	1.2
176.03400	3.3
180.06578	8.9
188.07086	17.7
190.05009	26.1
191.01959	2.5
192.06500	1.6
209.02975	1.9
211.08669	3.4
217.09697	3.9
223.08566	1.4
225.10159	5.4
227.11830	4.3
229.09731	2.6
230.10068	2.1
237.10220	2.7
238.07471	2.1
239.08163	2.3
239.11801	1.7
245.12961	5.2
249.06464	1.3
249.10338	1.5
251.08267	3.4
251.11829	1.5
252.08862	3.5
253.09778	10.3
255.11441	1.8
264.08926	1.8
265.09836	3.9
266.10458	1.5
267.11411	6.2
273.12393	5.0
274.12717	2.7
275.16492	4.3
276.11160	3.0
277.09387	2.0
277.12271	5.9
278.10480	1.3
279.07846	4.3
279.11093	1.9
280.08389	3.0
281.08920	1.5
292.08533	1.8
293.09265	3.0
294.10062	3.7
295.10849	34.8
296.11154	4.1
297.12396	2.0
307.10870	13.9
308.11298	1.3
317.11417	3.7
318.11523	2.7
319.12589	3.6
321.08734	1.3
323.10300	4.5
335.12466	18.3
336.12906	23.7
337.13071	13.5
339.09680	2.5
340.10565	1.7
341.11160	2.0
355.12967	50.2
356.13351	4.2
357.14420	1.6
402.22760	2.1
432.19092	2.4
460.18771	38.2
461.18967	3.1
464.18176	2.2
476.18109	3.4
504.17755	100.0
505.18076	14.1
523.21198	3.3
524.20258	3.6
536.20374	80.3
537.20734	11.8
601.22992	11.8
606.29053	3.4
633.25629	15.6
634.26031	2.0
643.24451	4.1
655.46692	1.3
661.25018	14.1
662.25110	2.6
675.28223	2.7
693.27686	6.0
694.28461	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	693.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	1.1
59.01245	2.9
62.26967	0.9
70.30597	1.7
70.31013	2.8
71.01251	1.3
75.00739	1.0
80.04926	5.8
85.02828	4.7
87.00758	1.1
94.02858	7.5
94.06483	1.8
96.95943	4.4
98.19977	1.5
98.20515	1.1
101.71156	0.8
104.04951	3.5
106.06532	2.3
107.03646	2.4
108.04450	3.2
111.00773	2.3
116.04968	1.1
122.06004	22.0
123.39151	0.8
124.07523	1.2
130.06499	2.1
132.04437	1.5
134.06013	10.3
136.07622	4.4
138.05490	2.6
145.01305	0.9
146.06023	3.5
148.03909	2.1
148.07599	1.0
150.05525	1.3
152.07072	46.6
153.07405	2.1
159.04463	0.9
160.03949	1.8
164.07088	1.2
173.00903	1.1
174.05492	2.5
180.06567	7.0
188.07095	13.0
190.04997	2.5
190.08778	0.9
191.01918	1.7
210.07997	1.2
211.08693	4.3
213.84010	0.9
224.09566	1.1
225.10252	5.6
226.10912	1.4
227.11827	4.2
235.08768	0.9
238.07436	1.7
239.08295	0.9
239.11885	2.0
245.12993	3.4
249.10518	1.1
251.08176	2.8
251.11902	3.4
252.09024	2.5
253.09779	12.5
254.10536	1.4
264.09000	1.6
265.09689	3.0
266.10342	1.2
267.11304	4.3
277.09830	2.4
279.07718	2.9
279.11325	2.5
283.10672	0.9
293.09277	3.3
294.10077	2.9
295.10849	33.6
296.11276	2.5
307.10858	13.9
308.11285	1.2
313.11887	1.8
321.08649	1.2
323.10345	2.8
325.11847	1.7
336.12808	1.5
339.09848	3.1
351.09616	1.2
355.12967	4.5
392.19714	1.6
432.19556	2.1
460.18750	24.7
461.18939	3.1
463.17465	2.3
474.20270	1.4
476.18262	1.4
498.60153	1.0
504.17780	59.1
505.18146	9.7
536.20386	100.0
537.20715	14.4
545.24542	1.5
571.25684	1.4
581.55505	1.0
601.23187	1.1
633.26184	2.0
661.25153	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	693.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95311	0.9
56.33299	1.1
59.01243	1.8
61.80500	1.1
64.54211	0.9
69.37844	7.6
72.79715	1.1
80.04943	5.7
81.03313	1.5
83.04894	1.6
85.02840	1.2
87.11053	1.0
94.02850	5.7
94.06474	2.2
104.04939	1.4
106.06487	3.5
107.03630	3.9
108.04403	2.7
109.88225	1.0
121.05240	1.1
121.76649	1.0
122.06001	21.6
127.43870	1.0
130.06465	1.5
132.04414	1.5
134.05986	7.7
136.07573	4.9
146.06021	2.2
148.03970	1.9
150.05418	1.6
152.07074	49.7
153.07381	2.5
160.03860	1.6
174.05478	1.9
180.06613	7.2
186.05548	1.4
188.07080	15.0
205.96574	1.0
211.08617	2.6
223.08443	1.0
225.10237	5.8
226.10898	2.3
227.11852	4.9
237.10394	2.4
238.07405	2.2
239.11870	1.5
245.12910	3.9
248.09494	1.4
249.10274	1.8
251.08157	1.4
251.11815	3.4
252.08986	2.8
253.09766	10.5
264.08899	1.3
265.09796	3.7
266.10394	1.7
267.11224	5.5
277.09744	3.6
278.10419	1.5
279.07962	2.5
279.11191	2.5
292.08627	1.4
293.09244	2.9
294.10080	3.7
295.10883	36.6
296.11188	3.4
307.10895	14.0
308.11063	1.8
313.11978	1.7
317.11453	1.8
319.12985	1.3
323.10315	3.2
325.98782	1.1
335.12540	5.0
336.12781	8.9
337.13092	5.1
339.09784	2.7
349.51596	1.1
392.20047	1.5
418.17554	1.6
432.19537	1.8
442.17801	1.5
460.18784	36.6
461.19321	4.8
476.18311	2.2
504.17786	100.0
505.18176	13.6
536.20404	71.8
537.20752	10.4
674.00458	1.3
689.33588	1.1
692.47675	2.6
693.49188	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	693.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	7.6
69.63471	2.3
71.01260	2.6
71.57497	3.0
80.04939	5.6
82.02880	3.0
85.02815	16.8
94.02861	24.1
94.06496	4.8
96.95908	12.0
106.06496	2.8
107.03645	5.8
108.04451	9.0
111.00797	3.5
120.08067	6.5
122.06023	45.4
124.07574	5.7
132.04442	6.7
133.04939	3.5
134.06009	9.0
136.07579	28.6
138.05511	14.7
139.02655	2.7
147.02957	3.7
150.05492	4.1
152.07082	100.0
153.07411	3.8
158.02374	5.1
160.04031	2.9
163.00327	4.2
164.07062	8.1
168.06602	28.1
180.06615	7.4
188.07137	10.9
189.42403	2.3
190.05048	25.3
191.01924	10.2
191.05342	4.1
192.06572	3.6
193.08510	2.7
209.02980	8.5
213.60635	2.4
225.10318	4.3
227.11932	4.6
235.08678	2.4
237.10165	3.5
239.08159	2.9
239.11826	6.1
241.09756	3.2
245.12823	3.7
249.10410	2.5
251.11908	6.1
252.08788	3.2
253.09830	8.8
255.03070	3.4
262.07318	3.0
263.08273	6.0
264.08960	3.7
265.09845	6.1
266.10410	2.7
267.11346	5.6
272.96600	2.4
277.09750	6.9
277.12256	5.7
278.10626	11.8
279.07861	4.2
279.11380	7.2
283.02469	7.9
283.10947	6.8
285.03998	3.1
291.11139	3.4
293.09601	4.6
293.12820	3.8
294.10144	5.0
295.10858	34.6
296.11282	3.5
297.12399	3.3
299.24060	2.5
307.10825	14.6
311.01901	4.9
312.02722	10.4
313.03473	9.1
313.11978	3.9
319.12891	5.7
323.10434	5.3
336.13153	3.9
339.09891	3.7
340.10623	2.7
341.11246	2.9
351.03369	2.9
352.04636	6.8
355.12985	35.5
356.13535	4.9
357.14539	5.3
410.43497	2.4
418.17804	3.2
442.17636	2.6
445.07764	3.1
448.18753	6.0
460.18796	26.1
461.18777	3.0
475.42862	2.8
492.17819	16.2
504.10431	4.0
504.17755	80.7
505.17987	11.5
517.09973	7.8
523.19257	3.8
524.20319	14.2
536.20374	56.8
537.20923	10.9
539.22693	2.6
556.10791	5.8
589.25659	2.8
599.24976	3.6
601.23212	9.4
615.24451	6.1
631.27185	2.6
633.25598	10.6
643.24109	23.6
650.15399	12.7
661.24402	12.3
662.25452	3.3
675.26398	9.7
693.27637	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	693.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59897	0.2
57.03314	0.3
57.32983	0.2
59.01252	40.9
60.01578	0.4
71.01264	0.4
71.12474	0.3
72.99181	9.7
75.00745	11.0
78.95785	0.2
85.02824	1.1
87.00775	0.3
96.95909	0.3
97.06523	0.2
101.02303	0.3
107.04915	0.4
113.02395	0.1
120.05724	0.4
122.06039	0.3
123.04415	0.7
130.87415	0.2
133.04962	100.0
134.05298	2.3
135.04390	0.3
152.04639	0.2
152.07118	0.3
153.07430	0.2
159.08041	0.3
161.09618	0.8
161.13303	0.9
171.10197	0.4
172.08896	0.2
175.06149	0.2
187.09521	0.4
187.11208	7.6
188.11563	0.4
189.09122	0.7
191.01917	0.5
201.11082	0.2
205.12328	1.2
207.10172	0.3
209.02995	0.5
209.11749	0.7
217.58281	0.2
227.12964	0.2
231.10191	0.2
244.60966	0.2
249.11299	0.6
267.12372	0.4
393.15887	0.2
405.48117	0.2
425.17719	0.3
453.17542	0.4
504.18082	0.2
633.25262	1.1
634.25610	0.2
651.26239	0.3
693.27435	3.7
694.27802	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28224	2.5
55.01772	4.0
59.01240	7.5
65.03835	31.3
71.01286	2.3
71.04891	23.3
72.65642	2.5
78.95789	9.1
96.96842	3.1
97.06472	42.5
97.26448	2.7
113.59590	2.3
119.08574	4.2
121.06489	60.8
125.09615	24.7
137.09587	3.0
152.99536	6.5
171.10193	2.9
185.11769	56.2
209.11755	24.9
211.13332	31.0
229.37599	2.6
235.13345	72.3
236.13800	3.1
277.21777	4.1
289.18097	25.0
293.21417	5.9
307.19162	100.0
308.19553	9.5
318.75424	3.0
345.13947	7.3
361.11145	3.7
397.13477	3.6
674.47931	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	691.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02851	1.5
59.01254	6.4
71.01254	4.6
71.57729	1.5
78.95766	2.7
78.99570	1.1
81.03332	8.7
83.04897	31.2
89.02309	5.3
98.02356	30.4
101.02347	2.8
113.02338	1.7
114.04131	1.2
119.03394	2.1
125.07085	2.2
131.04900	1.2
136.07562	1.1
150.05594	1.3
179.05534	1.8
207.14998	2.3
211.13161	1.3
224.17659	5.3
225.16023	19.3
226.16330	1.3
229.09715	1.2
229.14412	20.2
230.14792	7.4
231.14993	2.8
242.18616	1.3
267.37790	1.0
281.18890	1.3
309.22321	1.1
309.26404	1.4
317.11337	2.0
335.12509	9.5
338.24561	1.8
352.22281	1.7
383.30200	1.9
433.31741	1.4
451.32919	12.0
452.33670	1.2
465.30908	3.1
488.98642	1.3
553.26904	1.3
564.40979	1.8
578.39105	5.9
595.42462	1.5
673.46625	9.4
674.46606	2.6
691.47583	100.0
692.47949	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	691.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	11.2
61.75705	1.6
71.56455	2.4
74.59561	1.7
78.95783	59.5
81.12572	1.5
82.23761	2.0
91.74116	1.9
96.96848	6.5
97.54855	1.8
115.77731	2.0
126.31132	1.8
152.99500	51.6
153.00745	3.0
157.93376	1.7
174.99136	2.9
217.00224	15.5
269.95972	1.7
277.21735	100.0
278.22092	7.2
374.99408	10.9
375.99658	2.1
413.20996	32.0
414.21658	2.1
431.21973	11.3
581.31152	2.0
691.43335	6.5
697.58990	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	691.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02730	0.5
59.01252	7.4
61.78109	0.5
65.45597	0.4
69.45116	0.5
78.95780	86.0
80.97678	0.5
81.37307	0.5
96.82092	0.6
96.96848	9.0
102.06166	0.5
103.76109	0.6
116.97139	20.9
120.01687	0.5
134.98422	1.5
141.01604	4.7
150.97935	1.6
152.99495	64.2
171.00618	1.5
198.97517	2.5
202.71207	0.5
213.30103	0.6
223.02129	0.5
229.31267	0.6
255.23239	2.0
277.21732	100.0
278.22119	7.5
280.97916	4.6
305.02359	0.9
336.12781	0.5
338.59320	0.6
362.98129	3.1
411.19495	0.6
413.20996	33.8
414.20969	3.2
431.22034	14.4
431.27921	0.9
432.22333	0.9
535.16278	0.6
592.44421	0.6
691.33563	0.6
691.43677	7.8
692.43652	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32674	0.3
57.03310	0.8
59.01249	3.6
67.70011	0.3
69.36028	3.6
71.01252	3.5
71.04900	0.4
73.02813	0.8
75.00748	0.4
77.32586	0.4
78.09430	0.4
80.02537	0.9
81.03329	0.9
83.01234	0.7
83.04897	3.0
84.02055	0.5
85.02826	3.6
89.02313	1.6
94.02862	0.4
95.04901	0.5
96.95897	1.5
99.00768	0.8
101.02339	2.2
109.06467	0.5
111.00733	0.9
113.02306	1.5
119.03403	0.4
120.08022	0.4
122.06010	1.0
125.02378	0.5
125.09616	1.3
127.11154	1.2
129.01820	0.5
131.32326	0.4
135.07959	0.7
136.07530	0.3
136.14732	0.4
146.04471	1.0
152.07060	0.6
152.99518	0.4
155.10529	0.3
161.04506	0.9
163.11203	4.2
165.09145	0.4
165.12677	2.1
171.10123	3.6
173.10760	0.4
179.05504	0.5
181.12311	1.0
185.11734	1.5
191.01974	1.9
191.10742	0.8
197.11542	0.4
199.09660	0.5
199.13264	1.0
201.11258	23.2
202.11577	1.1
207.10193	1.1
209.02968	1.0
209.11766	100.0
210.12086	7.3
211.13338	0.7
225.11307	3.1
226.11543	0.6
227.12856	14.8
228.13344	0.9
229.14456	3.0
235.08252	2.9
243.12321	0.6
253.09245	9.5
254.09750	0.6
314.04315	0.4
335.12894	0.5
351.95139	0.5
375.21802	0.9
393.22675	0.7
405.17468	0.4
437.20010	0.7
445.20734	1.7
463.21582	0.5
515.35498	0.4
615.23999	0.5
628.93085	0.4
641.22540	0.6
659.22638	0.8
691.24170	0.9
691.36145	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	691.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.1
57.03318	1.4
58.00464	1.2
59.01251	36.2
61.98697	2.0
69.03329	1.5
69.56557	3.8
71.01252	30.8
71.04877	2.5
72.01585	0.6
72.99174	3.0
73.02811	4.1
75.00738	1.7
78.95773	1.4
81.03339	1.1
83.01267	2.9
83.04880	0.7
85.02820	7.2
87.00756	4.9
89.02312	26.6
91.03897	0.5
93.03316	0.8
95.01242	1.7
96.95880	1.2
96.96779	0.5
97.02827	3.2
99.00751	1.3
101.02319	24.4
109.06469	0.6
111.00776	1.9
111.04399	1.3
113.01605	0.9
113.02332	10.6
115.03920	0.7
119.03379	6.6
121.02795	0.6
125.02343	8.1
131.03430	1.7
133.04988	0.7
137.02394	0.5
139.03931	0.6
139.51140	0.5
143.03394	4.8
149.04483	0.6
152.99573	0.8
161.04463	5.8
169.04961	0.7
171.10205	1.5
177.16328	1.1
179.05522	5.3
183.13849	0.9
185.11807	0.8
191.01852	0.7
191.17833	0.6
209.11809	2.8
209.15404	2.2
210.12126	1.1
211.13316	1.9
217.07022	0.6
217.15991	0.6
221.06636	1.6
225.11322	0.6
227.12866	0.7
231.21123	2.1
235.08189	9.7
235.16997	35.3
236.17342	3.0
237.18535	1.0
245.06699	0.6
253.09203	4.4
263.07617	0.8
275.20135	44.7
276.20517	3.0
287.07727	1.4
293.21216	100.0
294.21576	6.5
305.08841	2.3
323.09662	1.5
327.64200	0.6
397.13486	64.5
398.13901	4.7
415.14557	39.6
416.15024	2.2
434.26135	0.7
631.36414	0.7
691.34955	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	691.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	3.2
59.01247	15.5
61.98700	3.8
69.01300	0.9
69.03329	1.6
69.15242	0.9
71.01252	19.9
71.58568	1.5
72.99178	1.6
73.02817	4.1
75.00735	2.6
78.95774	5.0
81.03319	2.5
83.01266	3.1
83.04902	6.5
85.02812	7.5
87.00725	1.8
89.02326	7.7
95.04893	1.9
96.95882	5.1
97.02805	1.2
97.06455	4.8
101.02322	9.7
111.00774	5.2
113.02325	4.3
119.03442	1.5
121.02726	1.3
125.02303	1.3
125.09583	2.3
129.01796	1.4
133.04910	1.4
138.48660	1.2
145.05110	1.0
151.11166	14.9
152.11555	1.4
152.99403	1.4
154.68430	1.1
154.99850	1.3
161.04445	2.6
163.11179	3.6
165.12767	1.2
169.12257	81.5
170.12534	3.5
171.10178	8.2
173.00812	2.9
179.05602	1.3
181.29478	1.0
183.13736	1.3
185.11710	3.2
191.01996	1.3
195.10127	1.7
197.11726	5.8
198.12053	1.1
199.13347	1.8
201.11209	1.4
207.10182	3.0
209.03014	1.5
209.11765	75.8
210.12167	5.2
211.13406	9.5
213.11255	13.8
225.11220	3.9
227.12801	6.8
229.14417	2.8
235.08238	2.8
238.11832	1.2
246.20705	1.2
253.09219	7.8
275.20160	2.3
293.21176	13.1
397.13504	4.8
415.14389	3.5
431.18863	1.7
449.20276	5.8
605.37317	1.2
631.36749	3.0
641.31787	1.9
647.36090	1.1
655.33423	1.6
659.32794	100.0
660.33282	15.5
673.33862	1.5
691.35669	9.3
692.35431	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37595	0.3
55.01764	0.4
57.03311	1.0
58.00459	1.0
59.01252	17.1
61.98684	0.7
66.99299	0.4
69.03313	0.8
70.26455	1.4
71.01254	13.6
72.99176	1.2
73.02813	2.1
78.95767	1.6
81.03333	0.6
83.01256	2.0
83.01693	0.4
85.02826	3.5
87.00731	2.7
89.02313	12.7
95.01257	0.9
95.04920	0.4
96.95890	2.8
97.02818	2.1
98.19859	0.4
99.00759	0.8
101.02321	10.3
101.31107	0.4
111.00762	1.5
111.04434	0.5
113.02325	4.7
119.03384	3.3
121.02809	0.7
125.02362	3.2
131.03357	0.6
133.05042	0.5
143.03368	1.9
152.99490	0.6
161.04475	2.1
171.10129	0.9
173.00827	0.5
174.87984	0.3
179.05556	3.1
179.14368	0.9
185.04419	0.4
185.11664	0.9
195.13818	6.9
196.14490	0.5
197.02597	0.4
197.11696	0.4
205.12273	0.8
205.15965	0.6
207.10219	0.5
209.11755	1.0
210.12291	0.4
211.13400	2.0
221.06598	1.0
223.13335	5.5
227.12819	0.5
228.13530	0.5
231.21216	0.4
235.08229	2.7
243.22429	0.4
245.06479	0.4
253.09256	2.1
255.17635	0.4
256.13196	0.8
263.07739	0.5
265.21521	0.5
274.34747	0.3
275.20166	4.5
287.07684	0.5
293.21228	100.0
294.21536	8.4
305.08560	0.6
323.10040	0.7
397.13501	20.4
398.13937	1.4
415.14557	23.6
416.14951	1.5
493.31500	0.4
659.32672	0.5
691.34918	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.6
57.03316	0.6
58.00472	0.7
59.01251	16.6
61.98714	0.2
68.99685	0.2
69.03333	1.0
69.58471	1.3
71.01254	13.1
72.99174	1.1
73.02818	2.0
75.00734	0.3
78.95769	0.4
79.95567	0.2
81.03321	0.5
83.01258	1.0
83.04913	0.4
85.02822	3.0
85.99963	0.2
87.00748	2.6
89.02316	10.5
95.01262	0.9
96.95899	0.3
97.02835	1.9
99.00763	0.8
99.04401	0.3
101.02322	9.5
109.02829	0.3
111.00747	0.4
111.04399	0.4
111.08059	0.3
113.02333	5.0
115.03873	0.3
119.03393	2.6
121.02903	0.2
125.02347	3.4
125.09590	0.2
131.03377	0.6
133.04947	0.3
136.89075	0.2
139.03868	0.3
143.03395	1.7
149.04466	0.3
152.99486	0.3
161.04469	1.8
167.03500	0.2
169.05057	0.3
177.12711	0.2
179.05540	3.0
179.10712	0.2
179.14308	0.7
195.13840	8.7
196.14401	0.8
205.12270	0.7
205.15897	0.4
207.10188	0.3
209.11749	0.4
211.13315	0.9
221.06604	0.9
223.13341	5.9
224.13855	0.4
225.11353	0.3
225.14908	0.2
228.13614	0.7
235.08203	3.1
249.22017	0.3
253.09232	1.5
256.13153	1.0
263.07663	0.5
265.21744	0.4
275.20129	4.0
276.20416	0.4
277.09250	0.4
287.07684	0.5
293.21219	100.0
294.21561	8.9
294.24258	0.1
305.08832	0.9
323.09848	0.4
361.11368	0.3
379.12408	0.3
397.13507	21.0
398.13696	1.9
407.13632	0.2
415.14572	24.1
416.14926	2.1
654.26501	0.4
691.34576	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	2.5
59.00949	1.9
59.01254	36.3
59.04535	0.9
69.03315	1.4
71.01260	33.5
71.04871	1.8
71.57558	1.0
71.57918	0.9
71.60664	0.9
72.99184	2.8
73.02816	4.4
75.00740	1.4
78.95779	6.6
83.01265	4.3
84.03883	1.1
85.02830	6.4
86.83291	1.0
87.00768	5.5
89.02323	24.6
91.03852	1.1
95.01271	1.8
96.96863	1.1
97.02826	4.0
99.00790	1.3
101.02325	23.7
113.02335	12.7
113.09630	6.4
119.03398	9.0
125.02346	8.6
131.03360	1.3
143.03421	3.7
149.04466	0.9
150.62277	1.1
152.99503	5.7
161.04463	6.4
169.04979	1.0
171.10158	4.5
179.05559	5.8
183.13817	2.1
195.13817	2.2
201.11356	1.1
221.06630	2.8
235.08202	10.3
235.17018	7.1
236.08470	1.0
253.09251	5.7
263.07492	1.1
275.20175	15.5
277.09152	1.4
277.21652	2.9
281.03934	1.1
287.07645	1.7
293.21243	100.0
294.21582	9.7
305.08853	2.0
397.13504	66.4
398.13922	4.6
415.14563	34.0
416.14902	3.8
609.26556	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	691.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43350	1.3
57.03303	2.0
59.00948	1.6
59.01245	32.3
66.92562	1.3
69.26117	11.2
69.26534	2.7
71.01254	14.4
73.02811	4.3
78.95765	2.3
80.04932	7.3
83.01255	1.8
85.02811	7.3
87.00694	1.7
89.02309	7.4
94.02855	19.3
95.01292	2.1
96.00813	1.4
96.95879	8.3
99.00753	2.2
101.02306	8.0
104.04924	4.4
106.06477	2.1
108.04417	3.0
108.08076	3.5
109.87112	1.2
111.00793	1.3
111.04393	1.3
113.02328	9.2
116.92665	1.5
119.03395	2.9
120.04382	1.8
120.50591	1.3
121.05215	4.6
122.06007	3.0
124.03931	1.6
125.02277	1.5
125.09642	1.5
134.05988	3.5
136.03900	2.9
136.07571	82.5
136.63663	1.4
137.07912	2.9
138.05490	7.4
143.03339	1.8
148.03896	3.2
150.05505	3.7
158.02266	1.3
160.03931	1.6
161.04475	2.1
171.10120	2.3
172.11258	1.3
174.05550	2.5
179.05507	2.6
180.06541	2.3
181.12260	1.7
185.11693	1.8
188.07083	4.0
190.04953	2.0
199.13298	1.7
201.10272	4.8
207.10194	2.8
209.11803	6.5
211.08698	1.6
211.13333	2.3
213.10255	3.1
225.11052	2.3
227.11870	4.2
229.09758	5.1
229.13295	9.4
234.70819	1.4
235.08607	2.0
237.10277	3.1
239.11855	5.4
249.10524	1.8
250.07353	2.0
251.08167	3.7
253.09691	5.5
255.11343	4.2
257.12955	6.1
263.08246	2.7
264.09192	1.6
265.09793	5.3
266.10300	1.7
267.11349	5.1
273.12451	3.3
276.09167	1.6
277.09631	2.0
278.06827	4.2
278.10461	2.3
279.07730	6.7
279.11304	6.4
281.12939	2.0
289.11673	1.6
293.09335	16.7
294.10037	8.0
294.12796	1.3
295.10733	4.5
297.12207	3.3
301.11865	10.2
307.10751	7.5
309.12418	4.2
319.12915	25.6
327.13428	4.2
337.08371	8.4
338.09048	1.7
339.13321	1.8
356.14011	1.8
358.11972	1.5
363.15747	1.7
374.15210	6.5
375.15451	1.5
380.70966	1.4
386.19113	1.4
392.16025	2.5
394.76920	1.5
414.18555	1.6
415.19025	3.2
416.15497	2.7
416.20288	2.1
428.16107	2.9
434.17413	2.3
442.17520	4.8
443.18259	5.8
444.19019	3.4
446.16888	2.4
447.17929	2.3
458.20386	6.3
460.18524	2.4
461.19556	2.0
462.20114	2.0
469.31097	2.1
470.17242	4.2
471.17703	2.0
476.21851	5.2
487.17493	5.0
488.18274	14.5
489.18417	3.1
502.19833	13.5
503.20294	3.4
523.23175	3.1
534.22424	15.8
535.22437	2.2
541.24060	3.0
555.25812	2.1
565.24579	4.9
567.22345	2.9
583.25531	25.5
584.25970	2.2
597.27411	3.4
599.24957	3.9
609.23175	2.7
615.27875	11.0
616.28577	1.7
627.24554	11.3
628.24475	2.8
630.35181	2.0
631.28040	2.0
631.36786	12.7
641.26514	9.2
649.37750	14.5
659.27173	100.0
660.27448	16.6
691.28772	12.5
692.30231	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	691.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59338	0.7
59.01248	7.9
61.98703	72.3
69.42218	7.3
71.01261	6.0
73.02831	1.6
78.95770	2.6
85.02834	5.2
87.00770	1.4
89.02337	2.1
93.03351	1.4
94.06493	5.4
96.95895	1.6
101.02319	4.8
103.44441	0.8
106.06519	1.5
107.03659	14.3
111.00763	3.5
113.02339	1.8
119.03407	1.2
120.04386	0.9
122.06007	62.8
123.06322	1.2
124.07542	0.8
126.14317	0.8
129.01788	1.2
134.06006	3.2
139.02641	5.1
143.03503	0.9
144.00420	0.9
149.04694	0.9
150.05518	2.9
152.07076	100.0
153.07428	3.0
162.39401	1.0
163.06064	2.1
163.11237	1.1
171.10167	2.1
173.00827	2.5
183.13908	1.6
197.11778	1.2
209.11774	4.7
210.12056	1.0
211.13362	1.3
225.06670	1.5
227.12849	2.0
236.26755	0.8
238.07408	2.1
239.08328	1.1
241.09822	2.4
252.09041	2.2
253.09784	29.2
254.10501	9.0
255.11198	2.9
265.09796	5.9
267.11435	1.6
285.10941	0.9
293.21280	2.0
298.09637	1.0
345.12451	4.5
347.10098	1.6
347.14001	17.5
348.14301	1.9
350.87958	0.8
356.73291	0.8
358.12634	0.9
359.13953	5.2
360.13901	1.3
372.13330	1.2
374.15286	1.1
388.16513	1.6
389.17462	1.2
390.18170	5.9
403.15857	1.0
418.17703	59.2
419.18375	10.0
462.16733	8.2
463.16864	1.3
484.22308	4.1
484.29422	1.7
510.20389	10.5
511.20535	2.4
512.21881	60.1
513.22443	7.7
525.21979	2.5
539.23120	4.8
540.24048	5.5
541.24628	4.6
556.20624	2.9
583.22162	1.1
584.22681	18.0
585.23480	6.8
630.35767	3.0
631.36096	6.2
647.28632	30.7
648.29144	5.7
659.33301	2.4
691.26654	10.6
692.28241	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	691.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	2.0
71.01260	0.8
73.36210	0.8
78.95776	38.6
79.95596	2.5
80.84716	0.7
95.64085	0.8
96.95892	100.0
96.96773	4.6
97.71118	0.7
136.93106	1.0
152.99496	35.2
171.00560	1.2
178.94202	1.1
194.93724	4.0
220.95157	1.1
223.00084	3.4
241.01180	9.7
250.96379	2.3
268.97443	1.6
277.21719	22.4
278.21909	2.2
279.11853	0.9
296.96860	1.5
315.04892	5.3
350.67447	1.0
371.00635	3.9
407.09973	0.8
413.01572	1.6
413.20984	1.9
431.02710	9.5
431.21912	1.2
593.27325	53.9
594.27655	6.5
594.69397	1.0
631.21381	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00985	0.3
59.01252	2.2
67.01739	0.3
76.93488	0.2
81.28529	0.2
82.02820	0.3
83.04905	0.6
92.79214	0.2
93.87785	0.2
94.02861	1.9
95.04938	0.2
98.02356	0.4
99.33646	0.2
101.11391	0.2
102.31075	0.2
106.02896	0.2
107.03670	0.3
107.04899	0.2
108.04430	2.0
110.05999	0.3
111.99172	0.2
120.04427	0.8
121.05160	0.2
122.06013	9.1
123.06350	0.2
124.03948	1.2
124.41334	0.2
132.04462	0.3
133.03960	0.4
134.06004	1.1
134.87436	0.2
135.06754	0.5
136.03951	3.9
136.07581	10.0
137.04707	0.4
138.05507	2.6
146.06071	0.2
147.05637	0.3
148.03946	0.3
150.05516	8.8
151.05861	0.2
152.07095	2.5
153.07413	0.2
159.11710	0.4
162.05510	0.2
163.08708	0.2
165.08537	0.2
169.10181	0.2
171.06772	0.2
172.07570	0.2
174.09174	0.8
175.05023	0.4
176.03479	0.6
184.07648	0.2
184.11279	0.2
185.07005	0.2
185.09636	0.4
186.04274	0.4
186.09152	2.6
187.11247	0.3
190.05060	0.6
196.07660	0.2
200.05739	0.4
200.10634	0.4
201.06476	2.3
202.07112	1.2
202.08736	0.8
202.10637	0.3
202.12331	2.1
203.08266	0.2
205.09682	0.2
212.10739	1.3
213.06433	0.3
213.08293	0.3
214.07433	1.0
215.08119	2.6
216.08830	0.7
217.09665	0.2
226.07451	0.2
227.08234	0.4
227.11691	0.2
228.10280	3.4
229.09784	13.7
230.11981	9.0
231.11504	0.8
239.08295	0.5
240.08998	0.7
243.07550	0.3
243.11412	0.4
244.08504	0.8
244.11998	0.2
245.09290	5.1
245.12958	1.0
246.09386	0.4
246.11552	0.2
255.11380	3.6
256.11807	0.3
257.09283	6.5
258.09915	1.4
259.10736	0.5
260.11713	0.2
263.10379	0.5
273.12445	21.0
274.10596	0.7
274.12805	0.9
275.10391	1.7
290.12720	0.4
291.13382	0.3
298.86462	0.2
299.10132	0.8
317.11407	17.3
318.11652	1.3
334.11746	1.0
335.12479	100.0
336.12830	7.4
341.11716	0.2
355.13110	1.5
358.04593	0.2
599.21271	0.3
631.24011	0.5
659.23975	0.2
691.27649	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09674	0.1
73.66468	0.1
77.26278	0.1
79.95607	3.0
85.02837	0.1
93.44305	0.1
96.95889	100.0
97.95798	0.3
98.19749	0.2
107.37418	0.1
166.17668	0.1
230.11305	0.1
255.02946	0.3
284.03308	0.4
285.03897	0.6
414.03287	0.1
587.71326	0.1
593.15216	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	3.8
57.03324	4.5
58.00473	2.4
59.01251	100.0
60.01598	0.8
67.01751	0.6
69.03329	2.3
70.53165	0.5
71.01255	65.6
72.01569	0.8
72.07140	0.6
72.99162	2.9
73.02819	14.2
75.00754	1.4
77.81950	0.6
81.03324	0.7
83.01264	8.2
83.04871	0.5
85.02821	29.8
85.99945	0.6
86.03159	0.8
87.00748	6.5
87.04394	2.2
89.02317	26.3
93.10168	0.5
95.01265	7.8
96.95907	2.0
97.02841	3.2
98.20557	1.2
99.00754	6.6
101.02323	37.4
101.05968	0.9
111.00782	1.2
111.53999	0.5
113.02332	35.4
119.03385	9.3
122.06010	0.6
124.01559	1.8
125.02338	5.3
129.01849	2.0
131.03381	1.8
141.01796	0.6
143.03404	5.9
149.04500	0.6
152.07085	1.6
155.03423	0.6
159.02881	2.3
161.04457	10.3
163.11169	0.8
171.10208	2.9
179.05513	4.2
181.12444	0.6
185.11841	0.6
197.11856	1.2
199.13388	1.1
201.11284	1.6
203.98410	0.7
207.10281	1.6
209.11771	6.9
210.12082	0.8
225.11398	3.7
227.12845	1.6
229.23409	0.6
243.12418	1.0
253.09407	1.3
265.09552	0.6
269.22031	0.5
323.26074	0.7
332.72510	0.7
358.50967	0.6
467.30161	8.7
468.30392	1.6
485.31216	13.5
486.31680	1.1
534.18933	2.0
593.33179	1.8
629.35394	74.2
630.35767	12.2
647.36456	66.0
648.36841	12.0
657.25385	0.8
689.36969	7.9
690.36487	1.6
719.53601	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.3
58.00463	1.3
59.01252	28.1
71.01254	22.1
72.99172	2.3
75.40058	0.6
77.85101	0.6
78.95771	1.8
82.08508	0.6
83.01276	0.7
83.04890	1.7
85.02832	3.2
89.02321	29.6
95.01254	1.0
98.19769	1.5
101.02328	11.0
113.02332	10.2
119.03388	11.5
125.09613	1.1
127.11186	2.0
130.04128	2.0
131.03366	1.4
131.04929	10.9
135.03256	0.5
137.55351	0.6
140.14236	0.7
143.03421	3.7
143.04382	0.8
149.04497	1.1
149.05992	2.4
152.99516	0.7
161.04462	3.3
167.14331	1.0
167.51549	0.6
171.10168	1.9
179.05524	12.6
183.13911	0.8
209.11766	2.3
211.13339	7.3
229.14412	100.0
230.14784	5.1
249.09294	0.7
259.07678	1.2
261.09076	2.2
279.10278	11.1
313.85580	0.7
417.08145	0.8
457.12128	0.6
544.02374	0.7
671.44781	0.9
689.34454	0.8
689.45813	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	687.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.1
57.03334	6.7
58.00460	2.5
59.01252	100.0
61.02037	1.1
61.98691	1.5
69.03342	1.5
71.01256	70.4
72.99185	6.8
73.02828	13.9
75.00735	3.6
78.95782	3.4
81.03323	1.5
83.01267	8.7
83.04898	1.8
84.02037	1.4
85.02822	45.6
87.00752	5.8
87.59457	1.2
89.02319	35.0
93.03297	1.8
94.71068	1.4
95.01277	7.9
95.04926	1.8
96.95894	5.9
97.02835	3.1
97.06451	1.5
97.53171	1.3
98.16788	1.3
98.20531	4.6
99.00763	7.9
101.02326	36.6
101.73567	1.3
109.06485	2.1
111.00749	5.0
111.04390	1.4
113.02335	39.6
116.92824	1.8
119.03387	16.7
122.06034	2.4
124.01564	1.4
125.02330	3.0
125.09591	2.6
129.01811	3.8
131.03395	1.8
135.04395	1.5
141.69904	1.2
142.09352	1.2
143.03383	5.0
145.03008	1.5
147.02895	2.5
149.09650	1.6
152.07094	2.8
152.99495	1.7
161.04482	8.1
161.09633	2.4
163.11159	6.2
169.12227	2.4
171.10196	22.7
179.03310	1.6
179.05505	5.6
179.10732	2.1
181.12254	3.5
185.11771	2.1
191.01913	10.7
197.11725	8.6
199.13359	3.1
201.11273	4.9
205.08615	2.0
207.10202	12.2
209.02966	12.6
209.11757	25.6
223.09717	7.4
223.13380	1.9
225.11281	20.8
227.12865	6.6
235.08112	3.1
241.10678	1.8
253.09261	5.9
289.17966	1.8
329.13995	2.0
461.20273	3.6
465.28537	10.4
483.29581	13.6
585.23785	1.6
591.30920	1.6
615.30359	1.5
627.33838	55.5
628.34235	5.6
643.15588	3.6
645.34937	55.8
645.45837	2.8
646.26050	1.4
646.35229	8.5
651.29980	2.6
651.39667	5.0
655.24048	2.4
669.30914	4.6
687.32635	17.7
688.34058	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	687.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.1
57.03334	6.7
58.00460	2.5
59.01252	100.0
61.02037	1.1
61.98691	1.5
69.03342	1.5
71.01256	70.4
72.99185	6.8
73.02828	13.9
75.00735	3.6
78.95782	3.4
81.03323	1.5
83.01267	8.7
83.04898	1.8
84.02037	1.4
85.02822	45.6
87.00752	5.8
87.59457	1.2
89.02319	35.0
93.03297	1.8
94.71068	1.4
95.01277	7.9
95.04926	1.8
96.95894	5.9
97.02835	3.1
97.06451	1.5
97.53171	1.3
98.16788	1.3
98.20531	4.6
99.00763	7.9
101.02326	36.6
101.73567	1.3
109.06485	2.1
111.00749	5.0
111.04390	1.4
113.02335	39.6
116.92824	1.8
119.03387	16.7
122.06034	2.4
124.01564	1.4
125.02330	3.0
125.09591	2.6
129.01811	3.8
131.03395	1.8
135.04395	1.5
141.69904	1.2
142.09352	1.2
143.03383	5.0
145.03008	1.5
147.02895	2.5
149.09650	1.6
152.07094	2.8
152.99495	1.7
161.04482	8.1
161.09633	2.4
163.11159	6.2
169.12227	2.4
171.10196	22.7
179.03310	1.6
179.05505	5.6
179.10732	2.1
181.12254	3.5
185.11771	2.1
191.01913	10.7
197.11725	8.6
199.13359	3.1
201.11273	4.9
205.08615	2.0
207.10202	12.2
209.02966	12.6
209.11757	25.6
223.09717	7.4
223.13380	1.9
225.11281	20.8
227.12865	6.6
235.08112	3.1
241.10678	1.8
253.09261	5.9
289.17966	1.8
329.13995	2.0
461.20273	3.6
465.28537	10.4
483.29581	13.6
585.23785	1.6
591.30920	1.6
615.30359	1.5
627.33838	55.5
628.34235	5.6
643.15588	3.6
645.34937	55.8
645.45837	2.8
646.26050	1.4
646.35229	8.5
651.29980	2.6
651.39667	5.0
655.24048	2.4
669.30914	4.6
687.32635	17.7
688.34058	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	687.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16161	1.4
55.01742	1.4
57.03323	2.6
58.56097	1.3
59.01246	18.5
61.98698	2.0
69.03336	2.9
70.06901	1.5
71.01249	18.9
71.04895	1.5
71.57490	1.7
71.88747	1.4
72.99145	2.1
73.02792	3.2
75.00723	1.8
78.95780	2.7
81.03372	1.4
82.81416	1.5
83.01246	1.9
83.04901	3.1
85.02814	14.9
86.49641	1.2
87.00741	3.3
89.02319	6.3
93.03346	1.5
95.04877	1.7
96.95886	23.2
97.02827	4.1
97.06458	2.4
99.00748	10.3
101.02307	6.4
109.03983	1.5
109.06451	4.2
111.00720	2.5
111.04381	1.5
113.02290	4.9
116.92767	2.0
119.03386	1.8
123.08046	1.9
125.09567	6.9
129.01849	1.8
135.04399	1.8
135.08054	2.0
147.02892	2.2
152.07056	2.2
161.09583	2.1
163.11211	9.8
165.12769	1.7
169.12222	1.9
171.10184	17.4
173.00911	1.6
179.03418	1.6
179.05511	2.1
179.10674	7.0
181.12299	13.4
185.11810	2.4
188.18112	1.5
191.01878	3.3
197.11775	35.6
198.12050	1.8
199.13283	4.5
201.11336	2.9
207.10201	29.9
209.02919	2.9
209.11772	33.1
210.12164	1.5
211.13458	1.8
223.09753	3.2
225.09227	2.5
225.11278	38.0
226.11601	2.9
227.12828	5.8
235.08354	2.6
241.10765	3.4
243.12212	9.0
244.08875	1.2
251.08510	1.4
253.09244	4.6
255.11264	1.5
265.09827	1.8
267.11426	1.6
422.55499	1.5
452.18234	1.6
461.20398	5.8
479.21408	3.3
623.20917	2.4
627.33704	2.8
651.30518	2.6
655.20856	1.8
669.31354	4.4
687.32306	100.0
688.22833	1.7
688.32922	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	2.4
66.83574	0.7
78.95780	63.4
83.89358	0.6
96.96854	6.9
113.21013	0.6
134.60791	0.7
134.98398	1.3
135.13959	0.7
150.97913	0.9
152.99492	55.8
171.00560	1.2
171.10179	0.7
174.99159	0.8
192.95731	1.6
194.95419	1.2
217.00168	1.8
220.86981	0.7
235.17032	0.9
241.21704	1.0
253.21823	0.9
255.23274	100.0
256.23636	6.8
263.20316	0.7
275.20071	4.5
277.21677	1.5
278.22070	1.2
279.23257	3.2
293.21222	30.5
294.21555	1.8
350.94846	0.9
352.94986	0.7
391.22552	77.1
392.22885	6.2
409.23587	28.9
410.23743	2.7
429.20459	18.4
430.20557	1.8
447.21680	3.3
529.10370	0.7
685.44519	60.2
686.44904	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	687.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66970	1.8
54.42857	2.0
56.24408	1.7
58.00475	1.9
59.01246	5.5
64.39725	1.9
66.32217	1.6
71.01247	3.4
72.99149	2.4
83.01250	2.7
85.02826	9.7
93.03336	8.5
95.01263	3.8
96.95887	2.5
99.92428	1.7
106.21252	1.7
107.01292	3.3
109.02845	9.5
111.00761	5.2
116.92743	28.6
119.04860	3.3
121.02795	2.8
123.00744	5.3
123.15496	2.1
125.02342	3.1
135.00781	3.4
135.04416	2.8
137.02313	7.0
139.00342	3.2
144.20122	1.9
145.02747	2.0
147.04370	4.5
148.01563	3.9
149.02290	5.2
151.00252	6.3
159.04385	2.6
161.02333	5.0
163.00282	17.4
164.00827	1.9
165.01869	4.0
171.04411	10.2
175.00356	2.4
176.01073	15.4
177.01967	2.8
178.99777	4.1
183.04410	2.4
187.03864	4.9
187.07556	2.5
189.05316	2.8
190.96651	13.6
190.99709	2.4
191.01894	7.0
199.03908	5.7
200.04745	2.4
202.02594	2.0
203.03395	3.8
205.01289	3.0
209.02953	3.4
211.03963	10.6
213.01932	2.8
213.05501	4.1
215.03403	8.6
216.03952	2.3
217.04987	3.2
223.06815	2.0
225.11191	2.2
227.03387	10.1
228.04034	5.0
229.04956	4.6
231.02942	4.8
232.03613	4.9
233.04449	3.1
239.03398	6.3
240.04088	3.4
241.01407	3.8
241.04955	3.9
242.02109	3.1
243.02893	8.5
244.03680	2.3
245.04486	6.5
255.02946	16.3
256.03635	13.1
257.01978	2.7
257.04507	18.6
257.08176	2.8
258.05002	2.4
267.02988	7.2
269.04620	2.6
270.01617	2.8
271.02524	19.0
272.03119	2.9
272.08673	2.0
275.05563	2.8
283.02472	48.8
284.03088	10.1
284.59747	2.0
285.04013	26.2
286.04443	3.0
287.01904	3.9
299.01926	7.9
300.02722	10.0
301.03522	10.1
310.00961	2.4
311.01855	14.2
312.02759	44.4
313.03500	42.1
314.03900	4.6
315.01385	6.9
327.01642	2.7
328.02094	4.1
329.02841	5.2
347.05505	2.2
361.10535	2.0
367.08264	3.7
377.06665	5.2
393.06152	5.7
394.06921	2.4
395.02942	6.2
405.05701	2.6
406.06671	3.1
407.07767	2.8
420.04568	3.4
421.05609	39.8
422.05765	6.4
423.07227	2.5
438.05814	2.9
439.06613	4.7
456.48172	1.9
505.10181	11.8
507.11389	3.4
517.09857	100.0
518.10565	10.9
533.09229	9.6
537.08704	15.2
549.08673	2.5
585.13977	2.0
594.32465	2.8
625.11951	7.7
643.12842	24.4
644.13715	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95543	1.1
57.03330	2.4
57.72234	1.3
59.01254	100.0
69.40962	10.0
71.01263	10.7
71.04900	7.0
78.95796	2.9
85.02828	5.2
87.04385	11.9
89.02319	11.2
93.03331	2.0
95.04893	8.6
96.95862	2.6
98.19738	2.3
99.04418	1.5
101.02325	3.4
104.16877	1.1
107.04939	2.3
109.06490	2.4
113.02326	5.3
119.03403	5.0
121.02879	2.0
123.08056	45.9
124.08411	2.5
147.07988	2.2
149.17213	1.3
152.72122	1.2
152.99486	1.4
161.04468	1.9
163.11185	13.7
165.09157	3.4
167.07135	1.4
179.05527	8.6
181.12244	4.2
183.10220	5.2
225.11285	91.8
226.11610	4.9
249.09227	6.9
269.22351	1.2
279.10352	3.5
429.15802	6.1
441.15521	7.8
658.94122	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	683.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32851	0.2
57.03318	0.2
58.00464	0.3
59.01246	2.7
59.40588	0.1
61.98695	0.2
71.01250	2.1
73.02828	0.6
78.95778	0.2
83.01249	0.3
84.68964	0.1
85.02824	0.5
87.00748	0.5
89.02319	1.8
101.02317	1.8
111.00791	0.2
111.08018	0.2
113.02328	1.1
119.03387	0.5
122.47372	0.1
125.09594	0.8
127.11166	1.2
131.03416	0.2
131.15401	0.1
143.03406	0.2
145.04877	0.3
153.09142	0.5
161.04488	1.0
171.10184	100.0
172.10512	4.3
179.05432	0.4
179.14331	0.4
195.13844	3.6
211.13300	0.2
223.13367	3.0
224.14063	0.2
228.13593	0.2
231.21063	0.3
235.08238	3.2
253.09283	10.6
254.09587	0.2
256.13181	0.4
265.21661	0.2
275.20157	5.2
276.20499	0.6
293.21231	43.9
294.03717	0.1
294.21561	4.3
407.19171	1.2
447.31213	0.3
460.28998	0.2
529.30042	0.4
623.34113	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	3.6
59.01251	6.7
59.05579	0.4
61.98707	0.6
68.02411	8.3
70.02391	2.0
70.99750	0.5
71.01249	4.4
73.02815	0.7
83.04915	0.6
85.02821	0.8
89.02312	3.9
95.04916	0.8
96.01900	0.5
97.05861	1.0
97.06463	13.4
98.19911	0.5
101.02317	3.4
101.05955	1.1
113.02344	2.0
119.03397	0.8
123.08045	7.4
125.09610	100.0
126.09933	3.7
143.10675	1.3
161.04411	1.0
166.09760	9.3
166.38394	0.5
167.10268	0.5
169.08607	2.6
178.66536	0.5
179.05513	0.8
187.09677	70.2
188.10014	2.4
211.09642	1.0
211.13307	0.7
230.33742	0.4
253.09219	1.2
261.13425	0.7
277.21710	14.7
278.22089	1.2
293.96640	0.9
397.81064	0.4
405.17551	5.4
406.17917	0.7
423.12997	0.8
423.18671	15.2
424.19125	1.5
683.40076	81.7
684.40479	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	42.4
68.19679	2.1
71.01250	41.0
71.56893	3.5
83.01282	2.1
85.02834	6.1
87.00770	2.6
89.02316	50.5
90.09427	2.0
95.01297	2.4
96.78461	2.1
101.02311	18.6
113.02323	15.1
119.03352	13.8
143.03413	4.3
155.19019	1.9
161.04489	8.7
179.05511	18.8
180.06480	4.2
237.82506	2.0
250.71133	1.9
337.11072	2.0
341.10873	100.0
342.11386	6.9
343.65469	2.3
435.58820	2.3
559.86176	2.8
587.10608	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	683.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.5
57.03322	5.0
59.01246	5.1
69.03324	1.1
71.01249	4.3
71.02776	0.6
71.03118	1.0
71.04922	0.6
73.02797	1.3
78.95787	0.7
80.02536	0.7
85.02827	1.6
86.51367	0.5
87.00751	1.7
89.02326	1.4
95.01253	0.7
95.04892	2.0
97.02800	0.5
97.06462	16.4
101.02308	3.8
102.61755	0.4
106.92489	0.4
111.08010	0.6
113.02318	2.5
119.03398	0.6
123.08044	10.1
125.09608	92.8
126.09959	3.8
143.10693	1.2
145.04968	1.4
161.04463	1.8
169.08597	2.2
177.09096	0.7
187.09669	37.8
188.10069	1.6
211.13252	0.8
233.22563	0.7
235.08159	3.3
253.09305	3.0
259.48593	0.5
261.13412	0.5
277.21710	45.4
278.22083	4.0
288.32202	0.5
347.90494	0.4
380.51764	0.5
405.17618	5.3
406.18082	0.5
423.18582	6.4
464.56650	0.5
513.30896	0.5
683.40051	100.0
684.40314	19.5
696.33557	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00478	1.1
59.01252	35.0
70.86703	2.3
71.01255	21.9
71.01650	1.1
71.04900	5.1
72.99159	1.5
75.00756	1.1
78.95030	0.7
83.01248	1.4
85.02816	4.5
89.02317	25.0
93.03342	13.2
95.01249	2.2
101.02323	13.7
103.33245	0.8
107.04913	0.9
108.02048	2.3
113.02334	8.4
115.03896	61.9
116.04204	2.4
119.03389	11.7
121.02850	7.2
123.04435	5.3
126.31676	0.7
126.42441	0.7
131.03351	1.4
136.01479	1.3
137.02345	22.0
143.03403	1.8
149.04454	1.2
161.04475	1.4
161.05920	0.8
161.81694	0.8
163.07552	13.0
179.03381	2.3
179.05548	2.6
191.07059	41.3
192.07466	1.8
235.06046	2.9
237.06218	1.5
277.09241	2.8
281.06665	8.1
295.10336	72.3
296.10754	2.8
405.11945	12.1
415.12445	100.0
416.12756	8.7
503.15540	25.8
504.15915	2.9
683.21869	19.8
683.33093	1.5
684.22327	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	683.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	16.5
61.98701	9.5
70.92301	8.3
71.01264	11.0
73.02824	4.5
79.54687	3.1
80.96382	3.3
85.02835	22.9
85.03264	3.1
89.02322	7.5
93.03344	14.0
96.95934	14.3
101.02303	4.9
111.00758	5.7
121.02790	3.2
125.09640	3.9
129.01868	4.2
133.04979	4.2
136.05203	5.5
141.01595	4.0
191.01962	8.5
209.02919	4.6
209.11784	8.1
209.76764	3.3
211.04112	3.2
211.13385	13.9
255.02893	10.5
264.79764	3.5
271.06128	4.9
283.02551	6.6
348.06079	6.2
349.07230	3.4
377.06665	7.2
405.06052	8.9
419.07620	39.9
420.08563	20.6
434.10068	15.6
435.10843	100.0
436.11145	9.7
473.91745	3.3
639.17102	25.5
640.16956	4.4
647.36743	24.6
660.21661	4.0
682.38989	8.2
683.34338	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	682.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91262	0.4
57.03312	0.7
57.98231	0.4
59.01255	0.6
69.40332	3.4
71.01248	0.9
73.56164	0.3
74.68593	0.4
75.00759	0.5
78.95771	2.5
85.02828	1.3
106.40706	0.4
125.09615	2.6
127.11178	2.6
147.17670	0.4
152.99486	1.2
155.14355	1.0
165.12779	0.6
167.14317	1.1
181.24367	0.4
183.13820	2.5
195.13889	1.7
209.11819	0.9
211.13293	2.1
213.14915	13.9
214.15207	0.6
214.17807	0.4
221.64798	0.4
229.14413	100.0
230.14742	5.6
242.07901	0.5
438.22607	8.9
439.22992	0.8
461.91193	0.4
481.66608	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03193	0.4
58.00331	0.7
58.00586	0.4
59.01092	2.9
59.01425	2.7
65.97576	0.3
69.03194	0.5
71.01132	0.4
71.05936	0.9
72.99026	0.4
79.25040	0.3
83.04742	0.5
84.01907	0.5
99.07823	1.9
113.09397	1.9
127.07381	0.7
129.08885	3.0
129.87439	0.3
136.89090	0.3
141.08882	0.8
147.81496	0.3
151.10944	0.8
153.12518	3.1
163.10979	0.4
165.08815	0.4
165.12520	2.8
167.10521	0.4
167.14124	0.4
169.12265	6.3
170.12463	0.3
173.09172	0.9
181.12279	3.9
183.13626	0.7
187.03424	0.3
191.10397	0.7
193.08272	0.6
193.12126	2.7
195.13535	0.3
197.11716	1.5
199.13335	9.1
200.13504	0.4
201.08653	0.9
203.06784	0.3
203.10504	2.0
205.08252	0.3
205.11858	0.7
207.09863	0.5
209.11458	0.4
211.13332	6.0
215.10451	0.3
217.08307	0.7
219.09982	10.4
221.11531	19.5
222.11636	0.9
227.12744	1.1
229.14317	0.5
231.09807	0.9
233.07732	0.7
233.11552	19.4
234.11710	1.1
235.09544	2.4
237.09621	1.5
237.11317	0.5
239.11343	0.7
249.11089	15.9
250.11186	0.7
251.12344	1.5
265.10648	2.0
275.20129	0.5
293.21198	1.8
311.22195	2.0
315.19354	2.4
329.23315	100.0
330.23685	7.2
333.19260	2.9
351.21509	60.7
352.21838	5.0
552.63043	0.4
681.44666	2.6
682.46057	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26728	2.0
51.38497	2.1
54.19052	1.9
59.01251	13.6
65.81208	2.0
67.16392	1.9
70.09355	10.3
71.01261	4.5
78.95791	9.2
95.98949	2.0
96.95914	4.1
97.97454	2.2
99.08064	6.9
101.02328	3.8
125.09613	2.5
135.04453	2.4
139.11160	2.5
147.04424	2.1
152.99554	3.2
165.12755	17.8
171.10149	5.7
183.13823	5.3
193.08458	12.3
193.12263	2.4
207.09973	2.5
209.11798	3.7
211.13351	24.0
219.09998	5.4
221.11552	10.7
229.14449	17.4
231.09984	11.1
233.11569	100.0
234.11919	6.4
239.58121	2.0
249.11073	18.5
251.12798	38.2
323.31671	2.2
328.22058	3.1
329.23322	97.3
330.23730	8.9
349.19202	2.4
351.21552	84.5
352.21750	6.7
395.20612	3.2
441.36490	2.5
466.25665	3.4
467.25870	7.2
604.41357	2.2
681.45667	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31467	1.2
53.92893	1.4
59.01252	100.0
61.98698	4.5
66.47974	1.4
70.67119	1.5
70.67452	3.6
71.01260	18.3
72.99159	1.5
73.02817	5.0
78.95789	5.2
83.01272	2.4
85.02808	6.8
87.00695	1.6
89.02313	7.9
96.95867	2.8
101.02322	12.0
113.02329	5.9
119.03387	3.1
152.99507	2.9
161.04451	4.0
185.15402	2.9
227.87894	1.5
294.79935	1.5
401.29526	1.4
415.27051	3.2
441.33755	3.2
603.38959	25.4
604.39215	4.2
621.40137	50.9
622.40692	10.0
637.36499	1.9
681.35474	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	681.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31168	1.1
59.01251	100.0
65.30864	1.1
71.01263	6.3
71.58160	1.5
71.58583	1.2
73.02802	1.7
75.97852	1.2
78.95779	5.3
83.37723	1.2
85.02818	3.3
101.02326	5.1
104.20350	1.1
113.02316	3.4
122.73042	1.1
136.88576	1.1
152.99518	2.3
161.04469	4.7
247.21045	1.1
255.23154	3.1
603.30212	1.3
603.39844	1.2
621.40448	2.0
681.38702	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	681.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75096	0.8
55.01759	2.1
57.03305	1.1
59.01254	100.0
60.01572	1.3
61.98703	3.0
69.70917	6.4
71.01260	19.4
73.02832	5.7
78.95777	1.3
83.01276	3.0
85.02819	10.2
85.03206	0.8
85.46662	0.9
85.99992	0.9
86.48571	0.8
87.00760	0.9
89.02309	5.3
95.01258	1.5
99.00766	2.9
101.02322	14.8
113.02322	8.6
119.03368	2.1
140.51227	0.9
159.02910	1.1
161.04495	2.7
220.09088	0.8
415.26996	7.4
416.27609	0.9
423.33020	1.1
423.38550	1.1
441.33301	4.1
511.05942	1.1
603.39038	96.6
604.39368	16.2
621.40021	16.6
622.40289	2.9
634.86426	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	0.6
57.03310	0.8
59.01253	100.0
60.01611	0.7
61.98730	1.2
62.68047	0.6
69.38348	5.9
71.01254	6.5
73.02844	1.8
73.88660	0.7
78.95809	3.1
83.01253	1.1
85.02819	2.4
89.02348	2.4
91.76663	0.6
101.02333	6.6
113.02328	3.5
119.03394	0.8
143.98462	0.7
152.99493	5.2
161.04486	2.5
279.23450	1.5
287.23785	1.7
301.42389	0.8
302.22589	1.3
333.15506	4.0
441.33673	1.6
459.34998	2.0
494.13293	0.7
603.38989	6.9
604.39587	1.4
621.40082	25.5
622.40656	5.2
682.35822	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	681.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77686	1.5
59.01253	100.0
69.29516	16.5
71.01260	10.5
73.02793	4.2
78.95784	3.1
85.02824	4.7
85.76927	1.7
98.20522	3.2
101.02322	9.3
113.02295	4.7
116.68668	1.9
126.25387	2.0
130.87920	1.5
161.04404	3.0
183.05560	1.8
187.05556	1.9
197.18965	2.5
239.12950	1.9
441.33569	3.1
459.34979	11.4
460.34766	2.3
603.38354	3.1
621.39996	55.6
622.40332	8.1
633.72998	1.8
648.58618	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	681.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94357	0.8
52.94405	0.7
57.03311	1.0
58.00463	0.8
59.01252	100.0
60.01597	1.6
61.98689	2.6
65.21104	0.7
71.01252	17.3
72.01600	1.1
72.99178	1.1
73.02823	4.6
74.43201	0.7
78.95789	2.6
83.01253	2.6
85.02839	5.7
87.00774	1.8
89.02313	11.5
95.01240	1.3
98.19765	2.2
99.00790	0.7
101.02328	13.3
102.67655	0.8
113.02326	6.8
114.02635	0.9
115.89568	0.7
119.03396	4.5
125.02339	1.6
125.71299	0.7
142.62509	0.7
143.03409	1.5
152.99545	3.7
159.02986	1.1
161.04442	5.8
171.10287	0.8
179.05521	3.2
255.23418	1.0
277.21805	1.1
281.24988	4.8
282.25211	4.1
283.25583	2.3
304.24011	1.4
314.74600	0.7
397.13593	1.9
398.13757	2.8
399.14206	4.0
416.15173	1.5
417.15292	2.1
423.32800	1.9
441.34100	2.0
459.34796	10.8
460.35522	0.9
603.39069	6.8
604.39703	1.9
621.40039	46.2
622.40491	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	681.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01210	2.0
59.01255	68.1
61.98703	3.3
62.58944	2.1
70.87563	4.6
71.01252	37.9
72.99177	3.9
73.02829	5.7
75.00742	2.3
78.95780	4.9
83.01257	6.4
85.02827	11.5
86.70949	1.8
87.00766	10.6
89.02323	32.0
97.02836	6.5
100.51601	1.7
101.02322	30.4
113.02336	13.7
119.03412	11.8
125.01566	1.8
125.02339	10.9
134.75320	1.9
143.03398	5.2
149.04512	2.0
152.99481	3.9
161.04498	8.5
162.09531	2.2
171.10149	2.4
179.05550	6.5
192.57796	2.0
200.43787	2.2
209.35005	1.9
221.06735	2.1
235.08173	14.1
253.09225	3.2
255.23303	6.4
263.07687	2.0
277.21478	2.6
283.26410	100.0
284.26703	8.2
287.07684	4.8
305.08676	4.8
345.63876	1.9
377.50891	2.1
397.13486	85.8
398.13797	4.7
415.14511	37.2
416.14886	3.2
431.56238	1.8
563.59210	1.9
621.40106	2.9
681.38593	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	681.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44192	0.3
55.01747	0.4
59.01252	100.0
60.01601	1.0
61.01671	0.4
61.55773	0.3
61.98708	0.6
71.01260	4.8
73.02822	1.9
75.41981	0.3
78.95799	0.9
83.01268	0.9
85.02831	2.7
87.00781	0.6
89.02338	0.9
95.01251	0.4
99.00751	0.9
101.02316	4.4
113.02346	2.5
133.37857	0.3
144.79637	0.3
151.17793	0.3
152.99512	1.0
158.50729	0.3
159.02985	0.4
161.04475	3.0
161.70448	0.3
217.66251	0.3
245.15590	1.5
248.07269	0.4
260.04129	0.3
263.16635	1.1
264.78793	0.3
277.21817	0.4
284.97983	0.4
407.20596	0.6
423.32938	0.5
425.21829	14.6
426.22455	1.5
441.33920	0.4
459.35114	0.5
585.38177	0.4
603.39386	1.0
619.38989	1.2
621.39960	4.5
622.40881	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75285	0.2
55.10553	0.2
57.03319	0.5
59.01251	12.0
61.98702	0.5
69.03328	0.2
69.89916	0.2
71.00932	0.2
71.01263	2.2
71.57653	0.2
72.99181	3.5
73.02816	0.5
75.00746	100.0
76.01086	1.1
78.95785	0.3
80.28284	0.2
80.96394	0.8
83.01262	0.3
85.02820	3.0
85.29734	0.2
85.99947	0.2
87.00758	0.5
89.02327	1.2
90.68761	0.2
91.03871	0.5
93.03346	0.5
95.01255	0.3
96.95901	1.4
97.02847	0.3
98.95463	0.3
99.00762	0.6
101.02331	1.1
107.03757	0.2
111.00757	0.6
113.02345	0.5
113.23588	0.2
115.03905	0.6
116.92736	0.4
117.01840	3.4
119.03426	0.4
120.50934	0.2
124.01560	0.6
125.02339	0.8
129.01826	0.5
133.04964	17.8
134.05324	0.5
147.02818	0.3
149.09642	0.2
152.07120	0.2
159.25790	0.2
171.10214	0.5
179.05504	0.3
191.01874	1.4
209.02892	1.2
209.11829	0.2
213.89900	0.3
214.97050	0.2
225.00725	0.4
240.70232	0.2
269.21210	0.5
287.22287	2.4
288.22745	0.3
337.11060	0.2
413.25424	1.0
431.26529	6.5
431.46454	0.2
432.26825	0.7
449.27591	2.1
450.28186	0.3
471.26105	1.4
473.27618	1.6
474.28070	0.2
489.27066	3.8
490.27628	0.4
491.28680	1.7
492.29218	0.3
507.28250	1.2
508.28275	0.2
523.31329	0.3
531.28168	1.6
532.28131	0.2
549.29004	3.2
565.32001	0.3
607.33344	0.3
645.34753	1.6
646.35486	0.4
681.29022	0.8
682.29871	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17483	0.7
59.01257	3.6
59.01507	0.7
69.79243	4.5
71.01251	2.2
78.65315	0.7
79.80509	0.8
85.02822	1.8
89.02298	2.0
98.20512	1.3
99.46542	0.7
101.02346	1.1
117.03348	16.0
119.04922	6.1
134.03616	14.3
135.03928	0.8
137.02342	2.5
139.03886	0.8
145.02852	100.0
146.03186	3.1
149.05974	5.7
159.04378	1.0
161.06001	1.8
163.03880	11.3
164.04176	0.7
178.02638	9.6
187.03957	6.3
193.04991	39.1
194.05324	1.4
205.04979	1.7
235.06078	1.0
265.07242	2.1
300.02731	0.9
325.09280	33.2
326.09454	2.0
355.10419	4.3
375.45120	0.7
501.82245	0.7
629.23224	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1669
Annotation	Isorhamnetin 3-(6'''-acetylglucosyl)(1->3)-galactoside
Peak:m/z	Relative Intensity
59.01244	0.4
60.31013	0.2
63.02296	0.2
65.00189	2.8
69.81698	0.5
69.82121	0.8
71.01240	0.3
78.06243	0.2
85.02821	0.8
89.00195	0.6
91.01778	0.5
91.14914	0.2
93.03342	0.8
96.95908	0.2
97.02824	1.8
107.01242	0.3
108.02099	0.2
109.02829	1.7
113.84930	0.2
121.02843	9.9
122.03164	0.3
122.27144	0.2
124.01499	0.3
129.01831	0.2
136.29111	0.2
139.03882	0.5
147.00732	0.4
149.02321	1.0
149.99463	1.2
151.00319	1.0
159.71922	0.2
163.00294	0.5
165.01837	30.3
166.02176	1.3
171.04430	0.2
175.00201	0.2
183.02885	0.6
183.04422	0.2
191.01837	0.3
192.00504	0.3
193.01360	5.1
198.03258	0.3
199.04010	0.9
203.03430	0.2
206.01962	0.3
207.02974	0.6
214.02692	0.3
215.03377	0.5
226.02687	0.9
227.03418	1.8
228.04129	0.6
229.01511	0.2
231.15993	0.5
241.04944	0.3
242.02196	1.1
243.02931	2.8
244.03516	0.6
254.02202	1.5
255.02840	1.5
256.03641	0.9
257.04489	0.6
259.06091	0.4
269.04483	1.7
270.01688	0.7
271.02463	32.5
272.02921	3.0
285.04028	1.9
286.04666	0.3
287.05646	1.7
297.03995	0.5
299.01947	55.3
300.02609	11.4
301.02969	0.3
313.03522	2.0
314.04309	64.1
315.05063	92.8
316.05405	7.9
357.06110	0.7
443.92630	0.2
454.78455	0.2
459.09058	0.5
477.10370	14.2
478.10681	1.8
519.11414	100.0
520.11731	13.3
681.16461	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	681.1666
Annotation	Isorhamnetin 3-(6'''-acetylglucosyl)(1->3)-galactoside
Peak:m/z	Relative Intensity
59.01253	0.8
64.42822	0.6
65.00189	3.8
70.15430	2.3
71.92197	0.7
85.02821	1.1
89.00227	1.4
89.02300	0.7
90.56149	0.6
91.01791	0.9
93.03351	1.7
97.02841	2.4
109.02840	7.5
114.78066	0.7
121.02843	12.9
124.01549	0.9
133.02838	1.0
137.02434	0.6
139.03798	0.8
147.00754	4.3
149.02339	2.4
149.99521	1.3
151.00252	3.1
163.00307	3.4
163.03860	0.8
165.01840	38.4
166.02255	1.3
183.02869	1.9
190.99811	2.8
191.03448	1.0
193.01343	5.3
198.03178	1.9
199.03981	2.0
201.01929	0.7
203.03542	1.1
206.02141	3.1
213.01796	1.1
214.02664	5.1
226.02629	2.9
227.03452	3.0
228.04196	1.0
242.02185	18.9
243.02940	8.4
253.01370	1.4
254.02174	3.6
255.02898	4.6
256.03699	1.9
257.04559	1.5
269.01050	1.6
269.04401	2.1
270.01688	38.0
271.02454	51.8
272.02997	6.2
284.79904	0.8
285.04044	100.0
286.04416	6.7
287.02365	0.9
287.05630	3.0
297.03876	1.3
298.01364	0.8
298.84381	0.7
299.01953	38.1
300.02701	15.7
311.05545	1.5
313.03543	33.8
314.01373	0.6
314.04269	44.5
315.05081	85.7
316.05444	7.0
327.05038	1.3
357.06149	3.3
433.07684	2.7
461.07205	6.5
462.07990	0.9
476.09592	31.3
477.10321	33.0
477.17267	1.6
478.10809	3.0
519.11444	49.3
520.11835	5.2
568.27991	0.7
639.16205	1.6
681.16681	88.1
682.16943	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	680.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52235	1.6
59.00998	2.4
59.01256	30.7
61.98698	4.9
71.01249	4.1
71.57705	2.9
77.43498	1.7
78.95782	43.6
79.13869	1.7
81.22213	1.5
85.02816	3.0
88.57851	1.5
89.02332	1.8
96.96840	5.3
101.02251	2.9
152.99504	40.7
277.21725	100.0
278.21982	7.1
328.07990	2.4
402.11725	40.6
403.46661	2.0
420.12851	1.9
483.66818	2.0
515.38239	2.1
620.38495	2.2
680.34021	63.2
681.23645	4.7
681.34045	13.7
696.70300	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	681.0588
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.9
58.37861	0.5
59.01248	9.0
63.02256	0.7
71.01252	6.5
71.57749	0.8
72.99161	1.0
73.02817	0.8
73.77969	0.5
75.00706	0.7
77.77296	0.6
83.01243	1.2
83.56946	0.5
85.02831	5.1
89.02332	3.6
93.03335	7.6
96.95897	4.5
100.31853	0.5
101.02310	4.5
107.91879	0.5
111.00807	0.8
113.02310	1.9
119.03365	1.1
125.02322	1.8
138.45137	0.5
147.04456	0.9
147.06500	0.8
150.98431	0.8
151.00229	1.0
153.00026	1.7
159.68803	0.6
163.00281	2.1
165.00067	1.4
169.06456	0.7
171.04411	4.3
178.97990	4.2
179.05521	0.6
179.98788	5.1
180.99535	3.8
191.01845	1.1
204.99612	0.6
206.97517	1.8
209.02951	1.7
213.05573	1.6
228.99799	0.6
231.01176	1.2
231.06567	0.8
240.99991	0.6
247.00714	0.5
255.00909	0.7
255.03238	0.7
257.04504	7.5
259.00723	3.4
271.00800	1.0
283.00565	1.5
285.04071	0.9
287.00269	0.7
299.00232	3.3
313.98959	1.3
314.99670	3.2
325.98792	0.7
326.99673	61.0
327.99976	5.6
405.05756	0.6
406.07047	1.0
420.02975	1.9
421.03864	38.7
422.04111	4.0
439.04816	5.7
577.28583	1.1
595.29944	1.6
601.10193	100.0
602.10492	12.1
681.05981	5.5
682.05920	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	40.5
61.98687	3.7
69.05394	1.6
71.01251	5.3
71.57542	2.5
78.95780	84.0
89.02303	1.9
96.96831	6.2
97.86963	1.9
101.02319	3.2
108.94445	1.9
113.02364	1.9
120.76450	1.8
145.73224	2.4
152.99504	75.5
154.72731	1.8
171.00452	1.8
180.21471	1.8
277.21732	73.5
277.32907	1.7
278.22012	6.5
328.98141	3.4
346.09055	2.9
402.11713	33.2
413.21140	2.2
431.22137	3.4
518.29181	2.4
601.37469	2.4
602.37830	6.3
620.38513	5.1
680.34137	100.0
681.23840	7.6
681.34521	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	10.1
61.98706	3.7
78.95769	6.5
85.02832	7.6
96.95901	3.6
102.05465	8.2
103.13570	2.9
122.17049	3.4
125.09590	3.4
135.66089	3.1
139.11194	3.4
145.69048	3.2
152.99495	8.3
171.10165	13.4
191.01866	3.3
196.90045	3.5
211.13274	7.3
223.13307	4.3
225.11378	3.3
255.03056	4.3
293.21204	11.0
297.25323	3.0
311.22238	100.0
312.22650	4.8
348.88269	3.8
349.99219	3.5
367.15698	11.8
396.20624	4.0
399.14682	5.4
594.27722	5.0
594.65210	3.4
679.36426	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	679.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27285	69.2
55.70615	63.9
65.06000	62.7
71.57495	78.3
114.22809	100.0
124.00363	81.5
152.99463	94.8
169.12244	87.3
188.78998	81.3
223.44597	77.0
379.19067	75.4
404.73993	77.7
436.12973	79.4
679.38257	86.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
61.98695	7.1
71.01259	16.8
71.57963	1.9
72.99128	1.6
73.02825	3.8
78.95781	4.1
85.02832	6.7
99.00760	2.4
101.02317	11.9
113.02348	7.6
161.04488	6.6
168.88911	1.7
174.94815	1.6
179.76225	1.7
278.78226	2.5
369.17227	1.9
419.20679	2.1
424.20490	2.9
425.20828	3.7
439.32330	2.4
457.33325	3.5
601.37463	13.0
612.99884	1.9
619.38586	57.2
620.38782	5.9
699.90973	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	679.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29097	0.6
55.77328	0.7
59.01253	100.0
60.01582	0.7
69.50004	3.5
69.50411	1.3
69.58893	0.7
71.01255	6.2
73.02824	2.0
78.95792	2.2
85.02845	3.0
89.02341	1.2
96.81142	0.7
101.02323	5.5
113.02367	2.9
124.80124	0.7
143.03448	0.8
152.99524	2.2
159.02847	0.9
161.04448	6.3
186.69753	0.7
255.23390	1.1
258.21710	0.6
282.68811	0.7
349.51929	0.7
364.75302	0.7
455.08847	0.8
457.33603	1.2
476.47305	0.6
572.86774	0.7
619.38666	5.4
620.39160	1.6
628.07880	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68546	0.2
55.01765	0.4
57.03325	0.4
59.01254	100.0
60.01585	0.7
69.26454	0.3
71.01258	6.5
71.06101	0.4
73.02824	2.0
75.00751	0.5
75.90331	0.2
78.60003	0.3
78.95765	1.2
83.01287	0.7
85.02825	2.9
86.50083	0.3
87.00790	0.3
89.02338	0.7
95.01289	0.3
96.27005	0.2
99.00787	1.2
101.02332	4.8
111.00710	0.2
113.02331	2.8
119.03386	0.4
143.03386	0.3
145.59105	0.2
152.99553	0.8
159.02954	0.8
161.04480	5.9
255.23283	0.3
317.82272	0.3
439.32462	0.4
468.85193	0.3
601.37549	0.3
619.38416	4.0
620.39435	0.8
679.39844	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.7
57.03314	0.3
58.00439	0.5
59.01252	17.4
61.98673	0.4
64.29539	0.3
69.43820	2.6
71.01256	5.2
73.02844	1.7
74.58942	0.4
78.95793	0.6
81.65965	0.3
83.01275	1.2
85.02825	2.7
88.02583	0.4
89.02325	1.4
95.01287	0.4
97.00764	0.4
99.00750	0.7
101.02332	4.7
113.02324	2.2
119.03403	0.4
146.66492	0.3
152.99504	0.4
161.04459	0.5
171.10252	0.4
259.13388	8.7
260.13644	0.6
261.14999	1.7
263.16507	0.7
407.20789	0.6
421.18735	0.6
423.20255	100.0
424.20605	8.9
425.21753	0.8
467.23010	1.6
468.03662	0.3
485.26276	0.3
511.21616	0.3
619.38574	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	679.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72564	0.6
55.87086	0.6
56.60875	0.7
59.01252	100.0
60.01598	1.1
64.97200	0.8
71.01257	6.7
71.58164	1.0
73.02834	1.7
78.95778	0.9
85.02802	1.5
87.00752	1.1
89.02339	2.7
101.02323	4.5
113.02348	1.9
119.03381	1.5
161.04485	1.8
180.62305	0.7
185.60153	0.7
195.02563	0.8
235.08221	0.9
241.44899	0.7
279.23157	3.4
280.23688	1.9
281.24054	1.6
387.00598	0.8
398.13919	2.2
399.14301	2.2
411.61349	0.7
416.15009	1.0
466.07837	0.8
513.18463	0.7
601.37689	2.0
619.38519	17.6
619.47833	1.2
620.39197	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	679.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.9
55.04256	0.7
57.03334	1.1
58.00471	1.2
59.01253	100.0
60.01580	1.5
61.98699	4.9
63.43352	0.6
71.01253	16.4
71.01614	1.2
72.99191	1.2
73.02863	1.5
78.95774	1.0
83.01292	1.3
85.02805	4.9
89.02317	13.0
91.69571	0.8
95.01276	2.0
99.00714	1.1
101.02328	12.5
113.02313	6.8
114.32286	0.7
119.03397	4.4
131.59492	0.8
144.51039	0.8
149.18471	0.9
150.40248	0.8
152.99574	0.7
161.04520	1.8
179.05611	2.3
197.11833	1.0
209.11916	0.8
231.10045	2.4
249.11098	2.5
257.15576	1.4
277.95068	0.8
327.21765	4.3
329.23395	2.8
338.33640	0.8
349.19965	1.1
351.21664	0.8
392.36887	0.8
413.25598	3.0
421.31400	1.0
601.37445	72.1
602.37811	14.8
619.38446	18.6
620.39154	2.0
679.41888	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.5
59.01254	100.0
61.98707	3.0
69.86565	7.7
70.74995	1.2
71.01260	17.3
73.02811	4.2
78.95766	7.9
83.01249	2.1
85.02829	9.3
89.02314	2.9
99.00867	1.2
101.02319	13.5
108.93270	1.0
112.58662	1.1
113.02324	8.7
122.95468	1.1
147.04399	1.2
152.99493	3.4
161.04451	6.8
161.93077	1.1
205.83369	1.1
282.98944	1.1
312.32623	1.2
373.22083	1.2
381.27972	5.2
382.28366	1.5
400.07901	1.5
439.31763	1.8
457.33206	3.7
543.25366	1.2
543.33075	8.7
601.37305	13.9
602.37958	1.6
619.38519	81.2
620.38849	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	679.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01582	1.5
61.01672	1.1
66.22503	0.8
70.43629	0.8
71.01257	17.4
72.99171	1.0
73.02828	4.6
78.95772	3.2
82.22919	1.0
83.01257	2.6
85.02822	8.5
87.00742	1.7
89.02339	5.2
95.01257	1.4
99.00764	2.6
101.02330	11.6
102.02660	1.5
105.10973	1.0
113.02337	6.2
119.03358	2.2
125.02303	2.2
143.03445	0.9
152.99455	1.8
155.89528	0.9
155.93983	1.1
161.04507	5.6
180.96210	0.9
207.14021	0.9
231.14177	1.3
233.19179	2.2
250.40814	0.9
251.20134	9.1
277.21677	3.5
278.22064	5.4
279.22348	3.6
292.74670	0.9
299.61285	0.9
338.24847	0.9
367.17709	1.6
398.14099	1.2
399.14163	2.4
400.14218	4.0
401.14377	1.7
416.15515	1.0
417.15170	1.2
418.15408	2.2
419.15387	1.6
423.20065	1.2
428.21545	1.0
439.31964	1.9
457.32999	6.3
457.83853	1.0
498.17865	1.0
506.25238	1.0
601.37543	6.0
602.38342	1.3
619.38489	89.3
620.38800	16.9
650.64862	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60670	1.0
57.03302	1.7
57.18173	1.1
59.01253	100.0
65.25900	1.0
70.07610	2.4
70.08003	3.3
71.01266	9.7
73.02808	3.5
75.85146	1.0
78.42895	1.2
78.95788	3.5
78.96268	1.3
83.01273	2.2
85.02821	5.5
89.02338	1.7
98.20542	1.4
99.00725	1.7
101.02328	7.0
102.32833	1.0
113.02341	4.7
114.17106	1.0
127.20222	1.1
152.99420	3.1
159.02910	1.6
161.04491	3.8
189.81071	1.1
327.23383	1.2
347.03012	1.2
354.62921	1.1
388.00403	1.2
456.70688	1.3
457.33182	10.9
465.16269	1.2
473.07761	1.1
601.37372	5.4
619.38507	39.7
620.38965	7.5
620.79956	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	679.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
61.98687	2.6
69.41605	7.6
71.01255	16.2
73.02821	3.8
78.95759	1.7
83.01264	1.4
85.02826	5.8
87.00741	0.9
89.02327	11.0
95.01254	1.0
95.48820	0.9
98.19755	0.8
99.00758	1.3
101.02322	11.2
113.02338	7.6
119.03376	3.2
131.82874	0.9
143.03406	1.4
143.72534	1.0
152.99484	2.0
161.04420	5.5
179.05560	2.3
186.10451	0.9
251.20033	1.1
277.21649	1.1
421.30774	1.5
439.32193	4.9
457.33289	5.9
601.37543	8.8
602.37256	1.1
619.38501	28.1
620.38568	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	679.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.6
57.51453	0.5
58.00464	1.5
59.01254	35.1
68.99658	0.7
69.03322	2.1
71.01256	34.5
72.99186	2.7
73.02824	5.4
75.00745	1.3
76.11405	0.6
78.95781	1.8
81.03333	1.4
83.01259	3.8
83.95466	0.5
85.02824	7.3
87.00757	8.0
89.02319	26.9
95.01252	2.0
97.02843	4.6
97.03374	0.8
98.19765	1.5
99.00757	2.2
101.02325	25.5
109.02859	0.6
111.00781	0.8
111.04396	1.4
113.02335	12.2
113.03089	1.2
115.03861	0.7
116.97057	0.6
119.03390	9.7
121.02872	0.8
125.02351	12.7
127.03917	0.8
131.03400	1.4
133.04996	1.2
143.03426	5.3
149.04468	1.0
152.99503	1.2
161.04486	5.1
179.05542	6.0
221.06662	1.3
229.78065	0.7
235.08202	13.7
245.06619	1.0
253.09235	3.6
263.07690	1.7
281.24863	100.0
282.25232	8.5
287.07785	2.6
295.26590	1.1
305.08734	3.5
323.09821	1.2
361.11319	0.8
379.12372	1.0
397.13498	70.2
398.13809	5.0
407.16962	0.7
415.14590	29.5
416.14966	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	679.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.4
57.03307	1.1
58.00455	1.5
59.01253	38.5
63.10612	0.3
68.99684	0.5
69.03336	2.3
69.46630	3.0
71.01254	35.1
72.01613	0.6
72.99194	2.8
73.02435	0.6
73.02817	6.3
75.00742	1.4
78.95783	0.5
81.03335	1.3
83.01254	3.8
85.02824	7.1
87.00748	8.4
89.02320	25.6
90.02702	0.4
91.03857	0.4
95.01263	2.4
97.02834	5.5
99.00763	2.1
101.02326	29.0
102.02679	0.8
103.03829	0.6
111.00710	0.5
111.04398	1.1
113.02335	13.8
113.45032	0.3
114.02667	0.4
115.03903	0.4
118.14622	0.3
119.02577	0.5
119.03396	8.9
121.02845	0.5
123.00761	0.5
125.02341	12.1
131.03394	1.3
131.09296	0.4
133.04979	1.0
137.02345	0.5
139.03903	1.1
141.01822	0.7
143.03412	5.1
149.04465	0.9
152.99481	0.7
159.02911	0.4
161.04466	7.0
162.04845	0.4
163.92822	0.5
167.03424	0.9
179.05553	5.1
185.04390	0.6
199.06052	0.5
203.05455	0.4
217.07149	1.2
221.06630	2.1
222.07004	0.4
235.08202	13.6
245.06619	0.9
253.09293	3.4
263.07712	1.5
276.90039	0.4
277.09293	1.1
277.21597	0.4
281.24854	100.0
282.25192	10.5
287.07736	3.0
299.26712	0.4
305.08752	3.2
323.09720	1.7
361.11346	0.6
379.12390	1.1
397.13495	73.8
398.13794	5.0
415.14557	29.3
416.15088	2.3
619.41754	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04054	0.7
58.00473	1.3
59.01249	33.6
65.99662	0.7
69.28185	0.7
71.01251	31.3
71.45246	1.2
71.45589	0.8
72.99184	8.3
73.02815	1.6
75.00745	55.4
76.01082	0.9
78.95147	0.7
85.02822	4.6
87.00756	1.8
89.01750	1.7
89.02316	33.3
95.01258	1.6
96.95882	0.8
99.00777	1.5
101.02321	14.1
111.04398	0.8
112.38295	0.8
113.02329	10.5
115.03896	13.8
117.01825	2.4
118.64957	0.8
119.03397	14.3
123.04406	5.4
127.27516	0.8
129.01804	1.3
131.03444	1.8
133.04962	49.5
141.07748	0.8
143.03407	2.4
147.02899	2.0
149.04434	1.1
155.03427	5.5
161.04468	3.1
173.04504	2.6
177.03987	1.0
179.05539	9.9
187.06024	1.0
189.99428	0.8
231.08693	1.4
277.09207	2.7
295.10324	100.0
296.10693	5.0
339.66785	0.9
353.10858	23.9
354.11142	1.0
411.15115	12.1
412.15118	1.0
447.52136	1.0
515.35370	0.8
526.24731	0.8
562.51819	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	38.1
63.07286	1.6
69.41344	1.4
69.41708	14.9
71.01250	31.8
72.99184	10.6
75.00743	54.4
85.02811	6.3
87.04353	1.5
87.99887	1.7
89.01810	3.2
89.02311	32.1
100.77347	1.6
101.02312	18.3
103.73019	1.7
113.02338	11.3
115.03880	12.8
117.01824	5.0
119.03374	11.2
123.04387	4.9
133.04002	3.1
133.04958	45.8
143.03372	2.6
155.03426	4.6
157.98676	1.6
161.04445	2.2
173.00894	2.2
177.81497	1.8
179.05504	8.1
231.18787	1.7
277.09259	5.0
295.10330	100.0
296.10590	6.1
315.67621	2.3
333.72104	1.6
353.10910	27.3
354.11273	3.0
390.52838	2.0
394.92056	1.7
403.93323	1.9
411.14929	9.8
412.62045	1.9
590.28040	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81673	0.4
57.03329	0.6
59.01255	4.1
59.26508	0.5
60.26413	0.5
71.01247	2.7
71.57362	0.7
71.57758	0.7
72.16020	0.5
72.99171	0.8
73.02844	0.7
75.00755	2.3
78.95767	0.7
85.02834	5.4
89.02334	1.1
96.95889	13.1
97.02848	0.6
99.00772	0.5
101.02332	1.1
106.61319	0.5
111.00778	1.2
113.02319	1.0
116.92738	1.5
129.01860	0.7
133.04945	2.7
139.00191	0.5
147.02795	0.5
165.01855	5.0
171.10229	0.6
173.00826	0.6
182.03723	0.7
183.68347	0.5
185.11681	0.5
191.01894	2.2
193.01413	0.9
198.03145	2.8
201.08713	0.6
201.11266	1.1
209.02972	1.8
209.11702	0.8
211.13466	1.0
212.44971	0.7
213.05521	1.3
214.02687	2.3
226.02696	4.7
227.03471	0.7
241.01358	1.1
241.05032	1.9
242.02162	15.0
243.02689	1.4
245.00897	1.8
253.01405	0.7
254.02182	8.4
255.02760	0.7
256.03583	0.5
257.04565	7.5
258.05136	0.6
269.04572	6.8
270.01678	15.6
271.02350	3.8
283.02341	0.7
284.03284	0.7
285.04041	11.0
286.04596	1.4
298.01169	4.1
299.01892	3.1
299.05109	0.7
299.12704	0.5
301.07190	1.0
313.03534	100.0
314.04004	9.9
328.05878	73.9
329.06522	15.3
330.07013	0.8
393.97021	0.5
515.11823	1.2
593.32111	0.6
614.50269	0.7
619.16718	1.0
637.18018	1.1
679.18787	45.2
680.19257	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	679.1517
Annotation	Kaempferol 3-(6G-malonylneohesperidoside)
Peak:m/z	Relative Intensity
53.77722	0.5
59.01245	0.6
65.00171	0.4
70.71854	1.2
96.95913	1.0
107.01276	1.1
132.02071	0.7
135.00739	0.7
151.00261	1.9
157.68024	0.5
163.00380	0.6
164.00993	0.7
171.04480	0.5
178.99789	1.0
187.03859	0.6
200.04762	0.6
209.11758	0.6
211.03912	2.3
215.90472	0.6
227.03441	38.8
228.03792	2.4
229.05095	0.5
239.03470	1.1
255.02963	75.3
256.03522	7.7
257.04462	1.2
283.02469	1.7
284.03250	100.0
285.03827	13.1
296.48660	0.5
403.68176	0.5
471.09235	1.7
635.16150	73.9
636.16565	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	677.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32658	0.2
52.90506	0.2
58.02831	0.3
59.01237	0.2
61.95225	0.2
64.26717	0.2
65.03771	0.2
71.57530	0.2
71.57949	0.3
73.20272	0.2
80.04890	0.2
81.03325	7.2
83.04893	20.4
84.05212	0.4
85.02798	0.4
96.95875	0.3
100.07580	0.4
107.06027	0.3
108.04424	0.7
121.01003	0.2
125.07080	1.2
126.05460	0.6
143.08173	0.7
156.89598	0.2
157.13370	0.3
181.03729	0.2
191.02019	0.2
207.14995	1.4
224.17627	3.0
225.16032	13.9
226.16252	0.8
242.18698	0.8
291.20944	0.2
308.23087	0.2
309.21762	0.7
324.26486	0.8
333.22861	1.1
341.29065	1.0
351.23846	0.3
367.27197	1.0
385.27771	0.4
407.33862	0.2
413.42813	0.2
433.31760	1.6
450.34576	1.7
451.32883	6.3
452.33145	0.7
546.13281	0.2
550.43402	0.9
559.40057	0.3
565.25177	0.2
565.44269	0.5
593.43848	0.7
659.48212	1.1
660.49249	0.4
677.49652	100.0
678.49963	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	677.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11127	0.5
57.03292	0.6
58.00480	0.6
59.01252	6.2
62.61448	0.5
69.03320	1.5
71.01250	1.5
72.73046	0.5
72.99190	0.6
75.46703	0.5
78.95766	2.3
89.02318	0.7
90.85294	0.6
97.06482	1.4
98.20584	1.1
107.04922	0.5
111.08045	15.8
115.75736	0.5
127.07507	0.8
133.62389	0.5
135.04257	0.6
148.08952	0.5
151.11214	3.0
152.99451	0.8
153.12770	1.3
165.12770	0.8
167.10687	0.5
169.12256	3.8
181.12283	2.0
193.12122	1.2
197.11769	25.6
198.12082	1.7
199.13292	3.4
203.10600	0.8
207.09970	2.0
209.11719	1.5
211.13290	2.1
217.08339	0.7
219.09984	48.1
220.10382	2.8
221.11560	10.0
227.12920	1.0
231.09953	1.4
233.11613	3.8
235.09464	1.7
237.09813	2.0
249.11093	6.9
252.09756	0.8
263.20255	1.2
273.14847	0.6
279.10791	5.4
287.16406	3.5
291.19629	2.0
301.18011	1.1
309.20886	1.0
313.17834	5.7
314.18356	0.8
325.20169	0.8
327.21765	100.0
328.22119	6.9
331.18896	11.4
349.19934	48.5
350.20367	4.8
375.18011	0.9
563.92511	0.6
617.37091	1.2
677.41162	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	677.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.7
58.00452	0.7
59.01252	11.9
64.63519	0.4
69.03325	2.3
69.63560	2.8
72.99181	0.9
75.30052	0.4
78.95766	0.7
80.29786	0.4
81.61845	0.4
83.04897	0.9
93.03345	0.7
95.04898	0.4
97.06527	0.4
99.08031	1.6
102.28329	0.4
109.06463	0.5
113.09607	1.5
117.07001	0.5
126.51363	0.3
127.02379	0.4
129.09131	1.9
135.11642	0.4
147.11713	2.8
149.09604	1.1
152.99489	0.7
153.09070	0.5
153.12697	0.5
158.88318	0.3
161.09659	0.6
162.10379	1.4
163.11198	4.5
163.45612	0.3
163.98772	0.4
165.09070	0.4
165.12709	2.1
167.10696	18.0
168.11078	0.6
169.12276	0.7
175.14861	0.5
179.10722	1.6
181.12263	3.3
185.05817	0.4
191.10719	5.0
193.08357	1.3
197.11771	9.4
201.08849	0.4
202.50850	0.4
207.06352	0.7
207.10022	0.6
209.11780	11.9
210.12151	0.7
213.08881	1.2
214.51819	0.4
219.06358	0.5
219.10085	0.5
227.12825	1.1
229.08429	1.0
229.19490	2.8
231.10011	48.5
232.10342	2.7
236.36491	0.4
237.07388	1.0
241.45210	0.4
247.08299	0.8
247.20738	0.5
249.10959	9.9
251.09001	1.0
275.08911	2.2
281.08817	1.3
291.19699	1.9
309.20697	7.0
310.21109	0.5
327.21756	100.0
328.22079	9.1
329.23291	0.6
331.18762	2.4
349.19955	14.8
350.20212	1.4
377.23138	0.4
617.37036	1.0
617.46429	0.4
677.42340	2.1
678.41565	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20364	1.1
59.01251	2.3
66.92810	1.3
69.78734	3.2
69.79147	3.7
71.01247	2.8
73.54710	1.3
78.95777	2.0
80.02520	1.9
84.02010	1.3
85.02837	3.0
87.06377	1.1
87.98671	1.2
95.04922	1.4
97.06448	1.5
121.02732	1.3
127.11193	1.4
137.09654	1.8
152.99571	1.9
163.11235	2.7
165.12746	14.4
171.10207	6.4
179.10664	1.3
183.13861	3.4
191.06679	1.1
193.08398	7.8
193.12144	1.4
197.11945	2.0
205.11984	1.7
207.09984	14.4
211.13316	13.3
219.09972	5.4
221.11632	10.3
229.14374	11.5
231.10094	7.4
233.11559	72.1
234.11908	3.4
235.09534	1.4
243.10083	2.4
247.09416	1.7
248.10245	1.6
249.11107	10.9
251.12997	13.4
261.11081	14.8
291.19702	2.3
313.17838	4.0
327.21762	67.5
328.22076	5.6
331.18845	9.5
349.19958	100.0
350.20334	8.0
382.05511	1.5
382.78738	1.2
438.31598	1.5
482.00403	1.2
563.41626	1.3
677.42169	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.7
59.01252	27.6
60.01579	0.8
62.33311	0.6
70.46247	1.4
70.46633	1.1
71.01257	5.6
73.02824	1.8
78.95776	16.5
83.01289	1.2
85.02833	3.3
87.00728	0.5
89.02309	1.3
91.46669	0.5
96.95926	1.0
96.96803	1.3
98.20515	0.7
99.00713	0.7
101.02318	3.9
113.02319	2.3
119.03388	0.7
141.01602	6.6
142.01961	0.7
152.99486	9.9
161.04453	0.6
171.00540	6.6
216.81487	0.5
259.13385	9.5
261.15005	1.9
291.19803	0.7
295.22861	1.1
421.18567	0.9
423.20255	100.0
424.20599	13.0
449.23114	2.1
570.66437	0.6
596.73273	0.6
617.37476	2.4
618.37061	0.6
657.12598	0.6
677.27069	2.7
677.37256	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26899	0.3
59.01254	100.0
60.01595	0.9
71.01267	2.2
71.58243	0.3
78.95787	0.9
83.01281	0.4
85.02831	0.7
87.00769	0.3
89.02313	1.7
101.02330	1.8
103.95825	0.3
113.02364	1.2
119.03430	0.4
119.25951	0.4
140.95688	0.3
141.78564	0.4
152.99504	0.8
161.04509	0.6
182.63152	0.3
279.23441	1.2
397.13730	1.0
415.14987	0.4
423.20331	0.7
437.30905	0.4
492.19513	0.4
511.01886	0.3
617.36945	17.4
618.37360	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	677.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.5
57.03315	1.1
57.61557	0.6
58.00467	2.2
59.01253	44.7
69.03329	1.8
70.03902	3.1
71.01257	36.4
72.99174	2.3
73.02815	5.5
75.00739	1.2
78.95772	2.1
81.03326	1.1
83.01253	3.6
85.02820	8.2
87.00754	8.9
89.02319	29.1
93.97578	0.5
95.01260	1.8
96.96893	0.6
97.02834	5.6
98.19811	0.5
99.00758	1.6
101.02328	29.9
102.02650	1.0
111.00732	0.6
111.04390	1.0
113.02336	14.0
115.03880	1.0
119.03391	8.2
121.02831	0.6
124.01578	0.6
125.02341	11.4
127.03890	0.5
131.03404	1.2
139.03928	1.1
141.01859	0.7
143.03418	4.7
149.04503	1.5
152.99506	2.1
161.04451	7.5
167.66029	0.5
171.03004	0.6
179.05519	6.6
196.79532	0.6
203.05658	0.6
217.07202	0.6
221.06552	2.6
235.08195	11.9
236.08466	0.9
253.09323	3.8
261.22321	0.7
263.07788	1.2
277.09442	0.6
279.23291	100.0
280.23642	7.4
287.07672	2.7
305.08795	3.1
323.09610	1.3
335.71915	0.6
379.12463	1.0
397.13501	68.6
398.13779	4.7
415.14569	29.4
416.15015	1.9
595.28943	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.0
58.00477	1.7
59.01253	46.8
67.01751	0.7
69.03323	3.2
69.37589	7.3
71.01255	34.4
72.99181	3.1
73.02818	7.4
75.00755	1.1
79.88725	0.7
81.03336	1.8
83.01250	4.2
85.02833	6.4
87.00755	9.3
89.02318	29.4
91.77945	0.9
95.01283	2.9
97.02830	6.1
99.00742	2.0
101.02324	28.6
113.02340	14.3
119.03390	10.6
124.83983	0.9
125.02329	11.3
131.03349	1.0
133.04961	0.9
133.40170	0.7
139.03996	1.0
143.03365	5.5
149.04456	0.9
161.04456	6.8
167.03430	1.0
179.05533	5.6
221.06653	3.1
235.08195	12.9
245.06870	0.9
253.09322	4.3
277.09070	1.0
279.23300	100.0
280.23734	7.5
287.07745	1.7
305.08804	3.5
323.09778	1.9
325.11032	0.8
370.35132	0.8
397.13501	68.5
398.13934	4.3
415.14581	25.9
416.14850	1.6
501.99442	0.8
595.28687	1.0
611.08984	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10154	2.9
56.97058	2.8
59.01259	4.4
69.79893	2.7
70.71984	8.9
71.01257	3.8
78.95760	7.4
82.02865	5.3
87.25562	3.1
94.02869	54.0
94.06506	3.8
96.04456	2.7
96.95909	21.8
106.06465	2.9
107.03631	7.7
111.01819	3.1
120.08086	36.8
122.06013	44.3
128.06352	3.1
134.06010	10.1
138.05504	18.1
152.07086	100.0
152.99509	4.4
163.32350	4.0
190.05067	5.9
213.46068	2.7
222.52681	2.8
223.08730	11.2
225.10301	4.5
237.10310	13.5
238.11021	6.0
239.11774	8.0
245.12923	8.5
249.10266	5.0
251.08270	5.0
251.11813	7.0
257.13126	3.0
263.08124	8.7
264.08972	9.4
265.09698	9.7
279.11401	43.1
280.11926	5.7
281.12680	4.4
291.11411	7.0
292.12012	4.6
295.10730	6.8
304.15002	3.3
307.05499	3.9
323.10425	13.3
324.10941	4.8
334.15778	3.8
355.13235	4.1
388.16412	3.7
402.18179	10.1
403.09293	3.2
410.19617	3.3
430.17206	3.3
444.19589	14.1
448.18564	6.3
461.19382	4.0
462.20303	4.8
471.18082	3.6
488.18796	14.2
489.18738	14.6
520.20923	26.6
541.24500	12.8
542.24597	3.2
583.25238	11.6
585.23730	21.5
601.26678	5.4
617.25934	20.4
618.26404	5.8
627.24384	28.4
645.25592	94.8
646.25916	14.2
659.27344	13.1
659.61395	3.4
677.28613	31.6
678.28473	5.1
697.96423	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	675.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
59.06013	0.1
60.01583	0.7
61.98708	0.2
68.02430	0.2
70.60278	0.5
78.95785	0.5
111.08037	0.2
119.49429	0.1
121.76646	0.1
171.10234	0.2
184.64655	0.2
197.11819	0.4
209.11835	0.3
211.13397	0.4
291.19772	0.5
293.21228	0.2
309.20706	1.2
353.21661	0.2
397.03680	0.2
675.38959	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	2.1
59.01241	5.5
59.99209	1.5
63.97206	1.5
66.65889	1.5
71.01248	4.3
71.37846	2.5
71.38171	2.6
79.95603	3.7
80.04970	1.7
82.02853	4.1
85.02836	8.8
94.02864	42.9
94.06505	4.4
96.04435	1.8
96.95889	100.0
99.06958	1.7
105.05737	1.8
106.06522	2.3
107.03650	6.1
111.00710	1.7
111.54241	1.5
117.19685	1.6
120.08088	18.0
122.06010	48.2
123.06368	1.6
124.07605	2.2
125.94970	1.6
132.04463	2.6
134.06018	7.7
136.03906	2.0
138.05510	13.3
149.52513	1.5
152.07077	100.0
153.07385	3.4
164.23383	1.8
171.10219	3.9
176.03343	2.6
181.12309	2.9
190.05061	3.3
191.01900	5.0
203.31218	1.7
207.10156	3.4
209.02933	4.1
211.12311	1.9
223.08704	11.8
224.09369	6.1
225.11253	3.7
235.12253	1.8
236.09599	2.8
237.10294	17.3
238.11011	7.8
239.11884	15.7
243.12389	10.9
245.12813	2.5
251.08186	2.5
251.11858	8.7
253.09641	2.0
263.08316	3.0
264.09009	6.3
265.09711	5.3
267.11325	3.1
271.10910	7.5
277.09805	2.8
278.10706	3.0
279.11362	27.0
280.11865	4.3
281.12918	3.8
283.10870	4.3
285.12634	2.1
290.80402	1.8
291.11426	6.8
292.11996	3.5
295.10757	2.4
315.04822	3.1
323.10419	5.8
324.11230	2.9
325.11887	4.2
334.15442	1.9
355.12811	3.5
360.08774	1.7
376.16422	2.1
388.16623	3.7
402.18304	22.9
403.19086	3.8
404.19730	4.7
405.19925	2.1
416.20105	2.5
444.19223	12.3
445.19925	1.8
448.18695	27.7
449.19131	2.7
461.19757	2.6
477.10303	2.7
488.18338	13.8
489.19119	7.3
490.20004	2.2
499.23511	3.7
507.20221	2.3
508.20609	3.8
520.20880	22.7
521.21692	3.6
541.24774	9.5
559.25543	2.2
583.25488	3.9
585.23395	10.1
586.24359	1.8
601.26221	2.4
617.26129	40.5
617.36108	2.0
618.26398	6.3
627.24561	15.4
645.25568	24.9
646.26135	4.4
659.27197	23.5
660.27295	3.2
677.28271	43.0
677.49634	3.6
678.28687	9.4
695.90338	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	675.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63881	0.4
57.03294	0.5
59.01249	100.0
60.01585	0.9
61.08061	0.5
68.02397	3.8
70.14155	0.7
70.14577	2.1
78.95789	2.4
81.03166	0.5
81.64568	0.4
85.17134	0.5
86.16842	0.5
87.00763	0.9
88.61727	0.4
88.98674	2.5
91.03924	0.5
95.84058	0.4
98.19823	0.6
98.99009	0.4
126.99487	2.0
128.99174	0.5
151.38885	0.5
166.09761	8.5
166.11061	0.6
167.10193	0.6
171.10223	0.9
197.11845	0.6
204.91042	0.4
209.11774	0.6
211.13370	1.1
251.16594	1.0
291.19855	1.5
293.21326	0.7
295.22916	1.3
296.23373	0.8
309.20685	3.6
332.11639	0.5
349.12845	0.5
632.36108	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01728	0.6
57.03310	1.2
58.00460	0.4
59.01251	8.1
61.98693	0.7
67.44032	0.3
69.65932	2.7
71.01250	5.5
71.04881	0.5
72.99173	0.7
73.02803	1.2
75.00727	0.7
75.03139	0.4
78.95762	0.7
80.02521	0.7
81.03322	0.9
83.01251	1.1
83.04891	5.0
84.02033	1.3
85.02820	4.2
87.00729	0.8
89.02305	3.0
92.84642	0.4
94.02850	1.2
95.01235	0.6
95.04884	1.0
96.95895	8.0
97.06425	0.5
98.02312	0.6
99.00767	0.6
101.02323	5.1
107.04912	0.4
108.04411	1.7
111.00742	1.2
111.04415	0.7
113.02333	2.7
119.03367	1.3
120.08084	0.6
121.05209	0.6
122.06016	7.6
124.03983	0.5
125.02286	0.9
125.05891	0.7
125.09617	2.2
127.07490	0.4
127.11173	2.8
129.01762	0.4
131.03465	0.7
133.04907	0.5
134.06010	1.5
135.08009	0.9
136.03937	2.2
136.05078	0.5
136.07582	5.9
138.05481	1.2
141.01563	0.7
141.05408	0.5
148.03992	0.4
150.05527	4.6
151.07527	3.2
152.07083	3.3
161.04477	2.6
162.05515	0.4
163.11182	4.0
165.12791	2.3
166.13081	0.5
167.14322	1.2
169.12254	0.5
171.10191	3.7
173.00795	0.4
176.03197	0.4
179.05545	0.6
181.12318	0.6
183.13799	1.2
185.11839	0.9
186.09143	1.4
190.04991	0.7
191.01849	1.1
191.10710	1.5
193.12251	0.9
199.13347	1.7
201.06618	1.1
202.07173	0.5
202.08800	0.9
202.12315	0.6
207.10095	0.5
209.11768	100.0
210.12106	7.8
211.13396	8.2
212.10771	0.5
214.07318	0.7
215.08141	1.0
225.11194	1.6
227.12846	15.4
228.10226	1.6
228.13156	2.0
229.09775	7.2
229.14409	93.5
230.11847	4.4
230.14729	5.2
231.12004	0.6
235.08176	2.6
239.08142	0.5
240.08934	0.9
243.07605	0.6
244.08505	0.9
244.30472	0.5
245.09201	2.0
245.12929	0.6
253.09258	20.7
254.09682	1.4
255.11417	2.8
257.09201	3.0
258.09888	0.6
259.10895	0.4
273.12430	11.2
274.12808	1.1
275.10321	0.7
295.10599	0.4
297.12460	0.6
301.11887	0.9
317.07547	0.6
317.11374	8.4
318.11746	0.9
319.12976	1.4
320.52237	0.4
323.10406	0.5
334.11688	1.0
335.12469	43.5
336.12900	3.8
339.13364	0.5
373.18942	0.9
405.17313	0.4
421.25952	6.6
422.26318	0.9
439.27005	1.3
445.20651	0.8
465.23343	1.2
489.34406	0.6
519.35614	1.0
557.23773	0.5
581.23846	0.6
582.23816	0.4
587.41797	0.6
599.25000	1.8
613.23529	0.5
613.39429	1.2
625.23120	1.1
629.07788	0.5
631.29651	0.6
631.40863	3.0
643.23804	2.7
675.26855	2.8
675.35651	1.0
676.26782	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32129	1.0
55.01759	2.3
57.03311	1.2
58.00462	1.9
59.01252	53.8
65.64326	1.0
69.03346	1.4
70.06453	1.0
71.01254	43.4
72.99177	2.2
73.02819	7.7
77.91037	1.1
78.95776	2.0
81.03349	1.1
83.01263	5.7
83.04892	1.2
85.02827	8.2
87.00745	7.8
87.61200	1.1
89.02319	35.9
93.61046	0.9
95.01250	3.1
97.02832	5.4
98.19839	2.6
99.00765	3.2
101.02322	33.9
111.00774	1.5
111.89996	1.1
113.02338	17.2
119.03387	12.3
121.02850	1.3
125.02348	12.6
131.03337	1.1
133.04970	1.5
143.03386	7.2
152.99530	1.1
161.04445	9.9
179.05597	7.0
183.57214	1.1
217.07188	1.3
221.06610	2.9
235.08171	13.4
253.09296	6.5
263.07855	2.0
277.21729	100.0
278.22034	8.8
287.07669	2.8
305.08755	3.7
323.09888	2.1
379.12543	1.3
397.13501	73.8
398.13876	5.7
415.14600	32.1
416.14978	2.9
673.56458	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.9
55.44800	0.6
57.03319	0.7
58.00464	2.3
59.01255	54.1
69.03327	2.2
71.01257	43.9
72.01598	1.1
72.99177	1.9
73.02825	8.4
75.00739	1.4
78.56962	0.7
78.95779	0.9
81.03308	0.8
83.01254	6.7
85.02824	9.9
87.00754	8.7
89.02323	34.3
90.02679	0.8
91.03896	0.9
95.01266	3.5
95.90699	0.8
97.02835	6.3
98.20644	1.4
99.00748	2.6
101.02328	36.8
101.36173	0.7
109.02780	0.9
111.04407	1.1
113.02335	17.3
115.03899	1.1
116.19782	0.7
119.03388	10.3
125.02341	10.8
131.03360	1.4
139.51274	0.6
143.03400	5.8
151.48291	0.7
152.99574	0.8
161.04466	10.2
179.05569	5.0
183.77885	0.7
197.96565	0.7
199.05920	1.0
221.06656	1.9
235.08208	13.6
236.08463	1.6
245.06624	1.6
253.09268	7.7
263.07687	1.1
277.21729	100.0
278.22092	8.3
287.07684	3.0
305.08752	2.7
323.09760	2.0
346.89050	0.8
362.07220	0.7
397.13507	72.5
398.13895	5.8
415.14554	31.4
416.14832	2.2
634.58508	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	4.7
69.78342	1.0
71.01248	6.1
71.28793	2.6
78.95774	72.2
83.04927	1.3
85.02805	1.9
85.97998	1.2
87.00775	2.1
89.02322	2.1
96.96841	12.3
100.91517	1.5
101.02328	3.0
101.94744	1.0
113.02290	1.4
120.95322	1.4
125.02349	1.9
150.97905	1.9
152.99486	75.9
153.99847	2.1
171.00581	3.3
178.95993	2.7
186.00987	1.2
196.36954	1.3
223.00107	9.5
241.01155	19.2
259.02222	1.7
271.83179	1.4
277.21713	46.5
278.22095	4.1
280.99014	1.8
303.45316	1.2
315.04880	10.9
337.01657	1.8
355.02939	4.1
394.70511	1.4
397.13452	4.2
415.14539	4.5
593.27325	100.0
594.27557	14.6
603.16467	3.9
619.68597	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	4.7
69.78342	1.0
71.01248	6.1
71.28793	2.6
78.95774	72.2
83.04927	1.3
85.02805	1.9
85.97998	1.2
87.00775	2.1
89.02322	2.1
96.96841	12.3
100.91517	1.5
101.02328	3.0
101.94744	1.0
113.02290	1.4
120.95322	1.4
125.02349	1.9
150.97905	1.9
152.99486	75.9
153.99847	2.1
171.00581	3.3
178.95993	2.7
186.00987	1.2
196.36954	1.3
223.00107	9.5
241.01155	19.2
259.02222	1.7
271.83179	1.4
277.21713	46.5
278.22095	4.1
280.99014	1.8
303.45316	1.2
315.04880	10.9
337.01657	1.8
355.02939	4.1
394.70511	1.4
397.13452	4.2
415.14539	4.5
593.27325	100.0
594.27557	14.6
603.16467	3.9
619.68597	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63171	1.4
57.03323	3.2
59.01254	10.8
60.62376	1.6
61.98704	2.0
70.04221	1.4
71.01257	7.0
71.57578	2.4
72.99175	1.6
75.00741	3.0
75.43279	1.6
80.04926	4.7
81.03316	3.6
83.01271	2.4
83.04906	4.5
85.02830	15.3
89.02308	2.6
93.03357	2.0
94.02822	1.7
94.06503	3.5
96.95916	10.4
99.00767	1.8
101.02340	3.0
106.06473	3.1
107.03617	3.8
108.04446	5.4
108.08073	20.8
110.02356	4.8
111.00758	7.3
111.04417	6.5
113.02347	2.6
120.04456	2.0
120.08080	2.8
122.06004	30.7
124.07543	2.1
129.01849	2.0
131.04517	4.8
132.02911	2.9
132.04387	9.4
133.04994	4.4
134.06056	8.2
136.03894	2.6
147.02997	3.0
148.03999	2.8
149.04689	2.9
150.05515	28.8
152.03407	2.0
152.07080	29.0
158.02361	2.1
160.03983	6.4
161.04735	1.8
162.05516	6.5
163.11163	2.9
165.12773	2.3
168.06599	2.5
171.10167	5.4
173.00821	3.0
174.05524	4.8
176.03482	4.0
184.07567	1.9
185.11774	3.5
190.05022	13.7
191.01892	6.8
199.13297	2.2
201.10278	6.5
209.02954	2.1
209.11775	81.1
210.12097	29.0
211.08778	1.9
211.13312	11.7
212.10823	3.6
213.06644	1.9
213.10199	1.8
223.08636	4.5
224.09508	4.7
226.07364	2.7
227.08195	3.6
227.12962	19.1
228.13112	5.1
229.09805	8.9
229.14531	21.2
235.08293	3.6
237.10387	3.6
239.08279	2.4
239.11908	18.0
240.10405	2.8
240.12328	1.8
241.09886	8.9
251.12123	1.9
253.06163	14.0
253.09344	10.2
254.07074	2.2
255.07677	4.1
255.11479	12.8
257.12808	2.7
263.08167	2.9
265.09814	7.4
266.06677	1.9
267.07684	8.4
267.11121	1.8
268.08560	8.9
271.14554	7.2
273.12534	4.4
281.09399	9.3
281.12326	2.4
283.10876	100.0
284.11240	6.6
287.10239	2.4
295.10818	2.7
301.08813	2.7
301.11746	10.4
309.08795	10.4
313.12167	3.7
315.13440	2.3
317.11356	3.4
319.13043	18.6
320.13080	2.1
325.11801	3.2
327.09882	12.7
335.12485	9.8
341.11224	3.3
355.13095	4.7
359.12543	5.8
372.13287	1.9
373.18582	1.6
374.15274	2.9
388.16599	4.1
391.15311	2.6
416.16153	8.6
434.16977	2.2
532.25922	2.2
539.23108	4.3
557.23938	6.0
558.61609	1.8
581.23975	15.8
582.24377	2.8
583.22107	12.1
599.25061	20.8
600.25189	4.2
602.23712	2.3
615.24823	4.4
625.23004	27.8
626.23199	7.5
643.24042	64.3
644.24585	16.6
657.25385	12.4
658.25739	4.6
675.26086	37.6
676.26898	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	675.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39085	0.2
57.03325	0.3
59.00984	0.3
59.01246	3.7
69.26942	2.1
69.27356	0.7
71.01241	1.0
76.41557	0.3
79.67580	0.2
80.86559	0.3
81.03323	0.6
82.02860	0.4
83.01253	0.4
83.04881	1.8
85.02814	0.5
87.00751	0.3
89.02300	0.7
94.02865	1.9
95.04922	0.8
96.95889	1.0
98.02351	0.5
101.02323	1.1
107.03652	0.5
107.04938	0.3
108.04426	2.2
110.05985	0.3
113.02328	0.7
114.35165	0.2
120.04440	1.0
120.08036	0.4
121.05247	0.3
122.06006	9.9
123.06383	0.3
124.03910	1.5
125.09608	0.4
127.11143	0.5
128.74431	0.3
133.03951	0.5
134.06012	1.7
135.06761	0.6
136.03935	4.3
136.07574	11.1
137.04715	0.6
137.07986	0.5
138.05490	2.4
148.03981	0.8
150.05508	10.9
150.06729	0.5
151.07533	0.5
152.07068	2.1
158.06000	0.3
159.11667	0.4
160.07526	0.4
161.04448	0.8
162.05507	0.3
163.08801	0.3
163.11223	0.7
164.07033	0.4
165.12776	0.6
171.06773	0.4
171.10159	0.9
172.07555	0.3
174.09132	0.9
176.03416	0.7
179.05614	0.3
183.13744	0.5
185.09680	0.5
186.04224	0.4
186.09178	3.4
187.11237	0.6
190.05064	0.4
200.05795	0.4
201.06512	3.0
202.07106	2.3
202.08760	1.1
202.12323	2.6
209.11763	23.5
210.12045	1.4
211.13397	1.8
212.07327	0.4
212.10797	1.5
213.06595	0.8
214.07159	1.5
215.08112	3.2
216.08968	0.6
227.12898	3.7
228.10332	3.6
228.12717	0.5
229.09766	16.2
229.14395	24.5
230.12022	9.3
230.14656	1.0
231.11659	1.0
235.08192	0.7
239.08273	0.6
240.08952	0.9
241.09749	0.6
243.07645	0.4
243.11351	0.6
244.08421	0.9
245.09282	5.7
245.12929	0.8
253.09265	4.5
255.11307	4.1
256.11758	0.3
257.09280	7.8
258.09915	1.4
259.10800	0.7
273.12436	23.3
274.10394	0.6
274.13184	1.2
275.10455	1.9
290.12506	0.4
291.13361	0.3
299.10355	0.7
317.11383	18.5
318.11530	1.4
334.11575	1.5
335.12466	100.0
336.12793	8.8
339.13675	0.9
340.13770	0.3
421.26013	0.8
439.26956	0.5
445.20651	0.3
583.21991	0.4
599.25031	0.9
631.27942	0.6
631.40826	0.3
675.25873	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	10.2
65.23831	0.9
69.75097	5.2
80.04929	8.9
85.02812	1.0
94.02849	3.0
94.06487	2.8
96.95861	1.0
98.20556	0.9
104.04936	3.2
106.06491	3.7
107.03664	5.6
108.04424	2.6
111.78198	0.9
120.04428	1.6
120.08070	2.5
121.05238	1.7
122.06007	31.4
123.06337	1.2
124.03952	4.2
124.07570	0.8
130.06509	1.5
132.04433	2.6
134.06000	6.0
136.03973	5.7
137.04726	3.1
138.05524	5.0
139.02631	1.5
147.05519	4.2
148.03955	2.4
148.07484	0.9
150.05498	13.7
152.07080	48.8
153.07477	1.8
160.03941	2.1
161.03445	1.7
161.04716	1.3
162.05475	1.7
164.07124	1.7
174.05542	4.9
175.05055	2.9
176.05623	1.4
186.12798	0.8
190.05067	2.9
192.06561	1.3
196.06396	0.9
201.10281	18.9
202.10580	1.0
202.12306	1.0
211.08691	1.5
211.12361	0.9
213.10286	7.0
215.11897	1.2
217.09718	1.2
223.08746	2.1
225.10312	1.3
226.11102	0.9
227.11826	6.8
228.12260	0.9
229.09796	20.7
229.13289	7.3
230.10023	1.4
237.10257	3.2
239.11882	10.3
241.09727	3.1
242.10254	1.2
243.11453	1.0
245.12921	10.0
247.10774	3.7
255.11349	10.2
257.12991	5.2
258.55948	0.9
259.10818	1.3
265.09711	3.1
266.10434	1.0
267.11365	3.0
273.12497	5.2
277.09811	1.1
278.10617	1.0
279.11356	1.5
281.12808	1.7
285.12411	1.6
287.10568	0.8
289.11926	7.1
291.11243	1.3
293.09140	1.2
295.10727	3.3
297.12451	2.1
299.10437	1.1
301.11887	23.6
302.12241	2.0
309.12460	2.7
313.11896	7.1
316.10590	0.9
319.12976	87.8
320.13303	7.4
323.10382	7.8
325.11768	2.7
327.13602	4.8
330.12433	1.7
331.13431	0.9
332.13928	1.1
339.09747	1.5
341.11417	1.0
344.10318	1.0
346.11942	1.1
348.17105	1.1
355.12918	5.8
359.12747	1.7
360.13495	1.8
362.14886	1.1
372.13406	1.5
374.15164	13.1
375.15176	1.8
386.11026	1.3
386.15387	1.3
388.16772	1.2
391.15363	2.8
392.16107	13.0
393.16638	1.9
400.12866	2.3
403.15079	1.8
404.16275	1.6
416.16116	6.9
418.14044	2.5
428.15955	1.2
433.15866	1.3
434.17294	6.9
446.17139	2.8
531.25885	1.7
539.23004	4.0
557.24005	18.1
558.24194	4.5
571.24829	1.6
575.24695	1.2
581.23804	5.1
583.22083	1.2
599.25104	72.8
600.25305	13.2
600.34100	1.2
602.23279	4.3
625.22974	2.1
643.24072	100.0
644.24347	19.9
675.26630	33.5
676.26971	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	675.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.2
59.01245	2.6
71.01240	2.2
76.79216	0.7
78.95766	1.1
82.82254	0.7
83.04886	1.6
85.02823	4.4
89.02343	1.0
89.97726	0.8
93.03344	14.5
96.95887	4.3
109.02826	3.2
111.00761	1.7
119.04956	1.2
121.02887	1.4
122.06010	2.6
137.02325	1.6
139.03850	1.3
142.88527	0.7
145.02875	1.8
147.02866	1.7
148.01570	1.3
149.02350	1.7
150.05545	0.8
152.07100	4.9
163.00215	1.1
169.06558	1.3
171.04431	2.3
171.10220	1.7
173.00797	1.4
175.00243	3.4
181.06627	0.8
183.04411	1.1
185.06076	0.8
187.03963	1.1
189.01903	0.8
191.01859	1.7
196.05280	1.0
197.05940	1.6
199.03938	2.2
209.03078	1.3
209.11774	8.4
210.12064	2.0
211.03862	2.0
211.13269	3.0
212.04852	0.9
213.05515	2.6
215.03403	2.9
225.05463	4.0
225.11427	0.9
226.06129	0.9
227.03471	1.8
227.12828	2.6
228.13162	1.0
229.14429	2.4
239.03465	5.0
240.04121	2.1
241.05017	6.2
242.02367	1.4
242.05786	0.9
243.03041	1.0
243.06631	1.2
251.03462	1.5
253.05014	3.7
253.09386	1.6
255.02934	5.3
256.03690	2.8
257.04385	1.9
267.02997	2.7
268.03720	1.9
269.04538	17.1
270.01740	1.0
273.12198	1.1
275.76273	0.8
279.02933	1.4
281.04523	3.6
282.05368	1.4
283.02478	3.2
284.03210	3.3
285.04111	4.0
289.08673	1.4
295.02438	1.3
295.10809	1.1
296.03302	1.7
297.04022	13.8
298.04462	1.9
301.08691	1.5
303.06580	1.2
307.02386	0.9
312.02661	1.3
317.08170	3.8
318.08609	1.0
319.09821	1.1
325.03503	2.2
331.06046	1.6
332.06949	1.1
333.07608	3.5
334.08182	0.9
343.06247	1.2
345.07718	4.2
346.08316	1.6
347.05399	1.6
347.09222	1.2
348.06198	1.8
349.07217	8.9
361.07181	10.9
362.07837	5.7
363.08798	4.0
373.07211	10.4
374.07898	1.5
375.04874	3.0
376.05884	2.3
377.06708	7.9
389.06653	23.2
390.07288	10.4
391.08124	7.7
406.09286	0.8
417.06067	7.5
418.06906	25.7
419.07742	54.9
420.08017	5.0
455.11322	10.6
456.12024	1.0
465.09616	1.1
466.10510	1.5
467.11423	1.4
483.10828	11.0
484.11368	2.9
511.10275	1.4
512.11047	29.7
513.11731	16.8
514.12195	2.6
581.13025	69.0
582.13196	8.6
599.24982	3.5
643.23584	3.9
675.17114	100.0
676.17609	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	675.0329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.5
59.01250	12.1
65.00180	1.1
66.13963	0.3
69.18578	0.4
69.89687	0.8
69.90096	1.4
71.01254	7.3
73.02819	10.9
73.62871	0.4
80.17007	0.4
83.01240	1.7
85.02821	1.6
89.00191	0.4
89.02303	0.9
91.01791	0.5
94.02814	0.4
96.95878	1.1
97.02806	1.0
98.19798	0.5
99.00735	0.5
101.02327	3.6
113.02294	0.7
121.02834	0.7
124.01544	0.4
125.00574	0.9
150.98465	0.7
152.07086	0.9
153.00092	2.0
159.82112	0.4
165.01849	6.7
178.98036	2.0
179.98790	4.6
180.99580	3.8
183.02837	0.6
193.01308	0.4
198.83702	0.4
206.97479	0.6
207.02803	0.6
208.03809	0.4
230.00307	0.8
245.15149	0.4
257.99887	1.0
268.99341	0.5
269.04465	1.4
273.02286	0.8
284.98611	3.4
285.03937	0.7
285.99396	4.5
286.99451	0.6
299.01935	1.9
301.01801	3.9
312.98083	3.1
313.03497	2.1
313.98886	51.0
314.04071	3.1
314.99280	4.2
319.12915	0.7
328.00473	4.5
329.01221	55.6
330.01563	4.9
347.02271	6.8
428.75171	0.4
491.06470	3.4
509.07153	2.5
510.08179	0.5
551.08630	100.0
552.00458	0.9
552.08923	15.3
631.04175	0.9
643.24384	1.3
675.03314	3.8
675.26849	0.5
676.04376	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08018	0.9
59.01254	4.8
61.98703	10.8
66.39749	1.3
71.01257	7.1
71.58131	0.9
71.58535	1.4
78.95780	9.6
83.04878	1.2
85.02849	1.7
96.95930	1.3
101.02299	1.9
109.06432	1.3
125.09609	1.0
137.09633	1.4
139.33824	1.1
145.85156	1.0
152.99475	6.2
161.04469	0.9
163.11224	2.2
171.10150	5.0
181.12297	1.7
183.13855	1.6
185.11760	2.3
199.13359	4.3
201.11346	2.3
207.10170	4.7
208.10539	1.7
209.11771	19.7
210.12111	4.9
211.13354	10.3
212.00966	1.1
212.13647	3.1
225.11273	5.0
227.12862	9.8
228.13161	2.5
229.14441	1.4
235.08244	1.4
253.09241	3.0
271.45941	1.2
425.16504	1.5
426.16440	1.2
463.21445	1.2
464.21948	1.8
510.15610	1.1
511.16013	12.0
512.16174	2.2
525.17529	2.3
526.18213	3.6
540.16003	2.8
558.16821	1.4
570.17035	22.2
571.17590	3.2
602.16241	100.0
603.16534	19.2
637.31531	1.1
656.32782	2.1
673.33966	3.2
674.33252	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	673.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15285	0.9
57.03323	1.4
58.00464	1.4
59.01244	12.7
61.98699	5.7
71.01250	42.3
71.04881	1.2
71.40308	0.9
73.02806	2.7
75.84338	1.1
78.95770	4.5
80.02540	1.3
81.03329	2.8
83.01296	1.6
83.04900	6.5
84.02029	1.0
85.02824	4.1
87.00748	2.4
89.02322	5.5
95.04891	1.8
97.02838	4.1
97.06487	1.8
98.20523	2.4
99.00770	2.5
101.02324	7.0
109.06481	10.9
113.02319	3.9
119.03407	1.5
121.02815	1.0
125.05960	1.2
125.09602	2.2
127.11165	1.5
135.08081	2.4
143.03423	1.4
145.04970	1.3
152.99475	2.2
153.12697	1.4
155.10674	1.8
161.04457	2.9
161.09639	1.6
163.11188	12.9
165.12732	3.1
171.10167	17.0
181.12209	5.2
183.13876	6.0
185.11742	3.4
191.10693	2.0
193.12282	1.8
197.11780	1.3
199.13330	16.8
201.11252	11.6
203.73601	1.0
207.10197	33.0
208.10539	2.1
209.11760	100.0
210.12099	6.5
211.13329	51.4
212.13657	3.7
215.12862	2.0
225.11272	34.0
226.11571	1.6
227.12845	50.2
228.13222	2.2
229.14384	2.3
235.08153	5.8
243.12282	3.6
247.13228	1.8
249.14911	1.2
253.09247	14.3
383.22372	2.3
401.23285	6.7
405.17227	1.1
407.19727	1.0
419.24280	5.2
420.24460	1.1
443.19495	1.3
445.20648	2.6
447.22394	1.5
461.20309	8.5
463.21899	4.4
479.20947	1.3
495.41412	1.2
511.16116	2.1
602.16199	5.3
637.31995	8.3
638.33203	1.3
655.33246	9.6
656.33099	2.2
673.34192	15.7
674.34650	3.4
686.89673	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	673.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	0.2
59.01256	2.8
61.55074	0.2
66.55228	0.2
67.46246	0.2
69.33962	1.5
71.01260	1.9
71.04861	0.2
73.02813	0.5
78.95779	0.3
79.14828	0.2
80.02544	1.0
81.03326	0.9
83.04899	4.3
84.02040	1.0
85.02844	1.3
85.03264	0.2
87.00742	0.5
89.02306	1.5
93.03342	0.4
95.01247	0.2
95.04901	0.6
96.95885	0.3
97.06501	0.2
99.00806	0.2
101.02324	1.8
108.18745	0.2
109.06465	0.5
109.08502	0.2
111.00717	0.2
111.08036	0.3
113.02328	1.1
116.34630	0.2
119.03375	0.4
121.02853	0.2
122.06034	0.5
123.08062	0.2
125.05978	0.3
125.09602	0.4
127.11194	0.2
133.04895	0.3
135.08040	0.6
140.22116	0.2
143.03406	0.3
145.04849	0.3
147.11699	0.4
149.09615	0.2
152.07080	1.0
161.04475	0.7
163.11209	3.9
164.11592	0.2
165.12738	2.1
171.10173	3.1
179.05568	0.3
181.12248	0.5
185.11728	0.4
191.01857	0.3
191.10698	0.9
199.13338	1.4
201.11217	0.5
207.10167	0.4
209.11768	100.0
210.12108	6.0
211.13309	1.6
212.13667	0.2
221.11760	0.2
223.13086	0.2
225.11313	1.0
227.12846	16.8
228.13138	1.2
229.14348	0.3
235.08186	1.7
247.13383	1.4
253.09270	5.6
254.09673	0.3
258.13400	0.2
265.14462	0.6
271.02682	0.3
293.09329	0.2
299.02069	0.5
302.96405	0.2
315.04852	0.2
383.22247	0.2
391.25162	0.2
401.23306	0.5
419.24252	0.3
437.25494	0.4
445.20532	0.9
463.21902	0.7
504.17883	0.3
518.19080	0.4
550.21979	0.5
560.10486	0.2
565.24591	0.3
597.22839	0.4
609.22919	0.3
637.32275	0.9
641.25867	0.8
642.27100	0.2
655.33704	0.7
673.35315	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27325	1.1
57.03308	1.4
58.00462	2.3
59.01248	11.4
61.98684	4.4
69.03313	1.8
71.01250	51.4
71.04841	1.0
72.99165	1.4
73.02811	3.3
78.95769	3.6
80.02541	2.0
81.03337	2.7
83.04893	5.5
84.02031	0.9
85.02818	4.0
87.00753	2.2
89.02316	5.5
89.29630	1.1
95.04874	2.1
97.02828	4.4
97.06438	1.4
98.20001	5.7
99.00738	2.8
101.02317	7.6
109.06455	7.1
113.02298	4.0
119.03436	1.1
125.02451	1.0
125.09600	3.4
135.08000	1.3
143.03383	1.4
145.04965	1.2
151.15613	1.3
152.99562	1.5
155.14259	2.1
161.04453	3.0
161.09560	1.2
163.11183	8.7
165.12830	1.8
167.10652	2.2
170.33624	1.0
171.10193	12.5
181.12271	5.0
183.13847	11.3
185.11771	3.2
191.10793	1.5
192.96060	1.1
193.12273	2.5
197.11671	1.4
199.09758	1.1
199.13353	27.7
201.11267	9.3
207.10207	25.1
208.10481	1.4
209.11775	72.9
210.12126	4.2
211.13332	100.0
212.13684	6.3
215.12836	2.0
225.11292	20.0
227.12834	66.9
228.13161	4.6
229.14288	2.3
229.19696	1.3
235.08099	5.9
235.13362	3.0
243.12267	2.3
247.13240	2.1
249.14792	1.6
253.09262	16.3
253.14359	1.3
265.14529	2.1
267.66821	1.1
357.24393	2.6
383.22211	1.8
391.24860	2.1
401.23334	6.2
419.24066	5.2
436.10449	1.1
437.25165	1.5
445.20502	1.8
447.22458	1.9
461.20151	5.1
463.21710	11.2
464.22076	2.0
493.28052	1.5
545.56561	1.1
602.16107	2.1
637.32495	5.7
655.33301	11.8
656.33911	1.6
673.34229	19.5
674.34619	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	673.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54110	0.8
59.01241	3.5
69.26917	4.7
69.27344	5.2
71.01241	1.7
75.24742	0.8
80.04926	8.1
85.02821	1.2
92.04899	0.9
94.06484	2.8
96.95878	0.8
98.20616	1.3
104.04936	1.8
106.06509	4.3
106.15436	1.0
107.03635	5.8
108.04442	1.5
120.04460	1.4
122.06002	47.9
123.06371	1.5
130.06578	1.8
132.04445	1.9
132.88376	0.9
134.06013	13.1
136.07611	1.9
137.26491	0.9
146.06046	1.1
146.08960	1.0
146.10303	0.8
148.03883	1.9
150.05476	1.3
151.07579	1.1
152.07076	55.3
153.07431	2.6
160.03963	1.6
160.06354	2.0
171.10132	1.3
174.05511	4.3
180.06586	2.1
188.07112	7.7
190.05070	1.0
209.11774	12.4
211.08643	2.0
211.13190	1.0
213.10240	11.8
223.08748	1.3
224.09454	1.4
225.10222	4.6
226.11073	3.2
227.12930	12.3
235.08653	1.3
237.10359	3.8
238.07481	1.0
239.08186	1.1
239.11874	11.4
241.13429	8.0
245.12950	8.6
249.06772	1.4
249.10318	2.3
250.07426	2.9
251.08176	2.2
251.11873	2.8
252.08966	2.1
253.09669	8.1
255.55798	1.0
263.08301	2.1
263.11914	1.3
264.09119	1.6
265.09814	6.7
266.10587	2.5
267.11340	5.1
277.09872	4.2
278.06964	4.3
278.10480	3.5
279.07706	7.1
279.11292	3.8
280.08517	1.8
285.12454	24.8
286.12653	2.1
291.07635	1.6
292.08099	1.3
293.09302	17.7
293.12988	7.6
294.10101	5.4
295.10852	18.8
296.11447	1.3
307.10922	8.5
309.12399	2.1
313.11853	4.5
323.10312	7.6
325.11957	3.7
328.11060	1.8
332.17795	2.0
337.08347	8.6
338.08871	2.5
339.09827	2.7
339.13556	1.4
340.10583	1.2
342.12299	1.5
343.13361	1.8
351.09839	2.2
355.13016	3.8
356.17743	1.7
357.14984	2.3
358.15555	9.4
368.53207	1.0
370.15860	1.4
384.13281	2.9
385.14453	1.3
399.15741	1.4
400.16663	12.1
401.17007	1.2
412.16513	5.2
417.17017	2.1
418.17813	1.3
430.13916	1.4
431.18024	1.3
432.19031	3.9
437.00281	1.0
446.21823	1.3
459.17859	4.5
460.18924	10.5
463.17038	1.3
472.45474	1.0
474.20667	6.2
476.18256	4.0
486.16925	2.4
503.16791	4.6
504.17877	18.8
505.17776	2.4
518.19373	21.4
519.19739	2.6
521.25867	1.5
523.23615	3.3
535.19714	1.1
536.20721	4.5
537.25391	1.4
550.22034	18.0
551.22467	2.3
562.11066	1.1
565.24500	68.3
566.24945	10.0
597.27295	10.4
598.26807	1.8
609.23535	32.1
610.23413	5.7
613.26520	1.3
641.26166	100.0
642.26422	19.1
673.28607	19.4
674.29034	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28719	1.1
57.03330	0.9
59.01246	7.9
61.98726	1.1
65.50912	0.9
69.43732	1.5
69.44135	7.0
71.01240	4.4
75.00742	2.5
80.02563	1.6
80.04930	3.3
81.03339	1.1
83.01231	1.3
83.04881	4.6
84.02041	0.9
85.02821	6.8
87.00733	1.2
89.02312	2.7
93.03329	0.9
94.06499	2.4
94.68790	0.9
95.01328	0.8
95.04927	1.2
96.95885	2.3
98.19617	1.0
101.02322	3.7
104.04955	2.1
106.06518	2.7
107.03637	4.2
111.00776	1.5
113.02347	2.5
121.05228	0.9
122.06004	31.2
123.06360	1.2
133.04984	2.0
134.06010	7.9
136.07536	1.7
139.02618	0.9
147.02965	1.0
148.03944	1.9
152.07071	38.1
153.07489	1.2
160.04018	1.2
160.06216	1.1
161.04422	1.2
163.11200	3.9
165.12794	3.3
171.10236	5.9
174.05510	1.9
180.06619	1.5
181.12230	1.6
183.13840	2.6
185.11832	0.9
188.07115	3.9
190.05090	1.8
191.01855	2.8
191.10643	1.0
199.13350	5.0
201.11340	1.1
207.10214	1.0
209.11761	100.0
210.12093	5.1
211.08775	2.2
211.13358	2.7
213.10295	5.2
225.10373	2.0
226.11273	0.8
227.12866	46.1
228.13220	1.9
229.14389	2.0
235.08244	3.3
238.07570	1.0
239.08156	1.0
239.11806	9.3
241.13501	3.6
245.12903	3.6
247.13351	1.8
250.07384	1.3
251.08148	2.1
251.11784	1.8
252.08960	1.2
253.09410	10.8
254.09859	1.0
254.69547	1.0
263.08273	1.5
265.09891	2.9
267.11383	2.5
277.09998	1.9
278.06940	2.7
278.10385	2.1
279.07724	2.8
279.11285	2.6
281.09146	1.0
285.12451	11.3
291.07632	1.0
292.08643	1.0
293.09314	10.4
293.12833	2.4
294.10077	2.2
295.10812	8.9
307.10837	3.6
309.12396	1.3
313.11978	3.5
323.10291	2.8
325.11899	1.4
328.10699	1.3
337.08447	4.5
338.08859	1.1
339.09875	2.3
355.13016	1.0
356.17676	1.9
357.14822	1.4
358.15677	6.6
370.11414	0.9
372.17435	1.2
384.13263	1.8
385.14517	1.4
400.16678	6.4
401.22968	1.4
412.16592	2.4
417.16769	1.4
418.17551	2.2
432.19229	3.3
444.15576	1.5
445.20993	1.4
451.27005	3.1
458.17026	2.0
459.17810	3.1
460.18475	4.2
461.19089	1.4
462.16220	1.4
463.16888	2.2
463.22397	2.1
474.20413	2.4
475.17438	1.1
476.18253	1.8
478.19861	3.5
497.25552	1.4
503.17087	2.4
504.17685	7.7
507.19724	1.1
518.19385	10.3
519.19269	1.2
523.23486	2.4
536.20435	3.8
550.21887	11.2
551.22351	2.2
565.24432	20.4
566.24707	4.5
597.26929	2.8
609.23596	17.2
610.23846	2.6
637.32208	2.2
641.26215	26.0
642.26007	5.2
655.32953	2.3
673.28040	21.5
674.28906	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.3
69.25339	5.6
69.25763	3.7
69.58133	0.8
82.02857	1.8
84.04409	6.6
85.02808	1.4
93.03333	64.1
94.03677	2.2
116.03432	1.0
118.02846	3.8
128.03439	5.9
128.10710	0.8
135.04410	4.0
136.03931	4.5
141.10289	2.4
154.12326	1.5
167.11813	2.2
169.13353	2.6
171.14941	3.7
176.08301	1.5
195.11339	2.4
197.11023	1.3
197.12874	26.9
198.11255	6.0
198.13013	1.3
209.48619	0.9
215.13959	36.7
216.14240	1.8
241.11882	3.3
244.14635	10.5
259.17007	2.4
277.22165	1.0
291.17166	5.5
303.15936	3.4
313.03412	1.1
317.14963	4.2
330.28568	0.9
335.16107	100.0
336.16440	9.4
465.21234	4.9
509.20120	2.0
678.11572	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36081	0.5
55.01751	2.9
57.03323	3.4
58.00462	2.0
59.01249	100.0
60.01592	0.6
64.58745	0.5
69.03337	1.8
70.41593	1.8
70.89148	0.4
71.01250	56.6
72.01618	0.8
72.99193	3.2
73.02814	12.9
74.73014	0.7
75.00761	1.3
78.95778	1.0
79.84255	0.6
79.95624	0.5
81.03334	1.1
83.01261	6.8
83.04900	1.5
84.02055	0.8
85.02821	25.2
86.00004	0.9
87.00747	4.6
88.60046	0.6
89.02315	22.6
90.98117	0.7
93.57432	0.5
95.01273	5.5
95.04941	0.7
96.95901	1.8
97.02804	3.1
98.82689	0.4
99.00735	4.7
101.02322	33.4
109.06477	2.8
111.00760	3.4
111.04422	0.6
111.39525	0.6
112.01575	1.0
113.02328	28.3
115.03904	0.5
119.03388	9.6
123.00866	0.6
123.08013	0.5
124.01546	3.1
125.02335	4.5
125.09641	1.4
129.01839	2.4
131.03410	1.4
142.02554	0.7
143.03407	7.0
149.04518	0.8
152.07091	0.7
152.99501	1.0
159.02917	2.0
161.04463	10.0
162.95306	0.8
163.11208	2.8
171.10158	3.0
179.05516	2.9
181.12160	1.2
185.11719	1.4
197.11674	0.6
199.13306	1.3
201.11287	0.7
205.12392	0.6
207.10202	10.4
209.11768	18.5
210.12065	2.0
211.13432	2.5
223.09816	0.7
223.13362	0.6
225.11279	11.5
226.11664	0.8
227.12842	4.6
235.08405	1.3
235.13425	0.7
253.09288	3.4
336.78204	0.5
338.38229	0.5
395.17624	0.7
399.21893	0.9
417.23068	1.0
449.28995	3.5
461.20148	2.3
467.30063	8.6
468.30377	1.4
509.31610	0.8
563.31641	0.7
575.31976	1.3
611.34332	66.5
612.34650	10.8
629.35406	71.5
630.35791	10.2
635.30597	1.4
653.31628	2.9
671.33118	8.3
672.34674	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	671.3287
Annotation	(-)-Flexicorine
Peak:m/z	Relative Intensity
54.58463	0.4
55.63428	0.5
57.03312	0.5
57.65601	0.5
58.00482	0.8
59.01249	11.3
69.03345	1.0
71.01249	8.7
71.04907	1.1
72.99187	1.1
73.02833	1.7
75.00741	0.6
79.95526	0.5
80.02556	1.4
81.03355	1.7
82.52856	0.5
83.01267	1.6
83.04897	6.2
84.02055	1.3
85.02816	4.2
87.00770	1.9
89.02332	5.6
93.03342	1.1
95.04919	1.6
96.95910	2.2
97.02828	5.9
97.06469	1.5
99.00764	7.7
101.02325	6.8
106.04109	0.6
109.02834	0.7
109.06472	5.7
110.03625	1.2
111.00777	0.8
111.08051	0.6
113.02346	4.5
116.92748	1.9
119.03408	1.7
119.04852	0.6
121.06490	0.4
122.06036	1.3
123.04432	0.7
123.08077	0.8
125.02381	1.1
125.06001	0.6
125.09606	6.1
129.01849	0.5
133.04958	0.6
135.08063	1.9
136.05179	0.9
142.02632	2.1
143.03421	0.7
145.04964	1.0
152.07086	1.4
152.99466	0.5
161.04507	1.2
161.09671	0.8
163.11203	13.2
164.11487	0.6
165.12717	2.6
171.10179	4.3
177.12804	0.6
179.05516	1.3
179.10681	0.6
181.12270	10.4
182.12630	0.6
185.11774	1.5
189.09026	0.5
191.10735	0.8
197.11806	1.7
199.13274	2.2
201.11330	0.8
203.22977	0.5
207.10217	38.5
208.10585	1.4
209.11778	100.0
210.12083	5.1
210.77722	0.5
211.13341	1.9
221.15485	0.8
223.13455	0.8
225.11281	66.6
226.11661	3.5
227.12860	19.1
227.15157	1.1
228.13208	0.8
235.08200	2.9
237.14948	0.5
243.12358	7.3
247.13345	1.1
249.11076	0.7
253.09283	6.4
259.07990	0.5
263.12881	1.0
265.14432	0.7
293.09442	1.2
303.23236	0.5
317.15897	0.8
329.24811	0.9
355.22897	1.0
373.23773	2.8
374.24164	0.6
389.23544	0.6
391.25104	3.1
399.22083	1.2
405.17505	0.8
417.22876	4.4
435.23636	2.6
443.19119	2.3
461.20331	17.1
462.20490	1.3
609.32953	2.3
611.34625	0.7
627.31372	1.5
629.35327	1.1
635.30194	3.0
636.30927	0.5
639.22955	0.6
653.31726	19.4
654.31696	2.5
671.32709	18.0
672.23083	0.7
672.32861	3.5
679.47809	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.326
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
71.00938	1.0
71.01258	6.2
71.58060	1.4
72.99182	1.3
73.02808	2.3
78.45354	1.0
78.95779	3.9
79.33896	1.5
83.01275	1.2
83.04877	1.3
85.02827	2.0
87.00725	1.0
89.02325	2.4
96.95911	5.2
97.02867	1.6
97.06456	1.1
101.02325	3.5
102.74384	1.0
103.91875	1.1
109.06485	4.0
113.02336	2.6
119.03365	1.8
125.09632	1.7
141.01593	65.7
152.99495	2.6
161.04385	1.3
163.11235	1.3
171.10153	11.3
185.11864	1.3
195.13847	1.3
199.13228	2.2
201.11188	2.7
207.10210	9.8
209.11746	30.6
210.12074	4.8
211.13269	1.6
223.13315	5.0
224.13666	2.4
225.11261	8.9
225.13791	2.1
227.12865	4.5
228.92189	1.1
239.11798	1.3
251.08130	1.9
253.09309	11.0
263.16513	1.7
265.09799	1.3
265.85431	1.1
267.11432	3.0
268.63498	1.2
269.97903	1.2
275.06436	3.4
293.09415	1.3
293.21143	7.0
311.10345	2.3
315.19617	1.6
339.00122	1.4
355.09222	3.4
375.21365	1.4
417.26651	2.4
435.27484	3.4
461.19958	1.3
595.22437	1.3
621.20343	1.6
639.20917	3.4
653.33881	2.2
671.32404	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85838	0.4
55.01773	0.4
59.01244	2.9
59.92794	0.4
68.14176	0.4
69.86176	2.4
71.01236	2.6
85.02816	1.7
89.02312	1.2
93.03323	0.7
99.04400	6.3
101.02294	0.9
107.04900	1.0
113.02312	1.8
113.05948	0.5
121.06477	1.9
123.04412	0.8
129.01759	0.4
131.08580	0.8
133.04898	0.9
135.04410	39.7
135.08049	1.2
136.05060	1.7
141.05481	0.4
149.05991	0.4
160.05139	0.7
174.06766	3.4
175.07558	4.7
175.71127	0.4
176.08330	10.3
177.08835	0.7
185.27863	0.4
188.08377	1.5
189.09113	4.0
191.10641	1.2
203.10768	0.5
214.09979	0.5
244.14644	100.0
245.14961	7.5
259.17010	16.5
260.17438	1.5
270.12592	3.3
285.14975	2.3
286.15427	0.6
288.13782	2.3
302.15292	0.6
303.16003	32.0
304.16275	2.0
329.13828	2.9
330.14371	0.7
345.17130	5.2
347.14978	4.3
357.13232	0.5
357.27689	0.4
371.14920	1.9
447.20276	1.0
465.21240	37.8
466.21570	4.8
491.19199	6.1
492.19403	0.8
509.20255	18.7
510.20319	2.9
533.20331	1.0
671.25562	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	671.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.7
57.03332	0.8
57.55165	0.4
59.01250	100.0
60.01578	1.4
65.06004	0.5
70.34690	2.0
71.01250	7.3
73.02815	3.9
83.01274	2.0
85.02818	5.4
85.97249	0.5
93.15518	0.6
95.01295	0.6
99.00751	1.1
101.02322	8.9
111.00796	0.6
113.02339	3.9
116.10244	0.5
129.01811	0.5
129.95726	0.5
159.02994	0.7
161.04462	3.1
180.11964	0.5
191.01920	0.6
247.54185	0.4
249.13394	19.2
250.13742	1.2
250.25246	0.5
291.14499	7.0
303.03220	0.6
491.28601	1.0
671.34479	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
63.83136	2.7
69.50285	3.2
69.72806	2.5
84.09842	2.8
93.03320	7.0
101.74345	2.9
109.02824	10.1
111.00735	2.8
114.57049	3.0
123.00774	3.5
135.00746	4.5
137.02292	5.6
148.01537	5.1
149.02322	7.9
161.02394	4.0
163.00320	23.1
164.01067	5.0
165.01883	3.4
171.04417	5.5
175.00256	6.4
176.01030	16.2
177.01851	4.0
199.04015	3.3
211.03894	14.9
212.04391	4.0
213.05482	4.7
215.03448	7.5
216.04184	5.3
227.03380	9.7
228.04198	4.8
229.04973	8.6
239.03445	11.0
240.04169	3.1
241.01392	3.5
241.05037	7.8
242.02135	6.3
243.02950	8.1
244.03539	5.2
245.04605	4.8
255.02950	18.1
256.03702	18.4
257.04535	21.9
258.04874	3.3
267.02963	15.0
270.01636	8.7
271.02408	12.8
272.03122	8.3
273.03925	3.5
283.02475	84.2
284.03134	16.7
285.04028	21.9
286.04288	4.3
287.01978	9.1
299.01883	12.2
300.02689	12.0
301.03445	22.0
311.01990	23.3
312.02725	80.7
313.03543	67.9
313.07214	4.1
314.03821	6.2
316.02206	8.9
317.03067	4.8
328.02203	17.9
329.02917	13.8
377.06631	6.5
405.05954	25.9
406.06152	5.7
421.05646	3.7
422.06177	21.7
423.07126	17.7
475.08841	3.3
502.96857	3.2
517.09863	100.0
518.10004	8.9
521.09485	16.6
533.09467	33.3
627.13599	54.1
628.14050	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	669.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55034	0.6
55.01748	2.2
57.03316	2.9
58.00463	1.5
59.00950	1.0
59.01251	21.6
61.03409	0.7
61.98698	0.7
69.03323	0.6
71.01252	28.0
71.57539	0.9
72.99182	3.0
73.02819	8.8
75.00742	3.5
78.95792	1.0
80.96358	0.6
83.01267	6.6
85.02824	20.1
86.03180	0.7
86.72224	0.7
87.00748	2.4
89.02316	8.7
95.01264	3.3
96.95893	2.6
97.02827	1.5
99.00757	3.1
101.02324	23.7
105.01831	0.8
111.00763	6.6
111.04392	0.7
113.02326	11.5
119.03377	2.1
125.02374	0.9
129.01787	2.1
131.03415	1.0
133.02795	0.8
133.04935	2.4
135.04405	0.7
147.02892	0.9
152.07063	0.9
154.09943	0.6
159.02846	1.7
161.04459	1.9
170.16373	0.6
171.10194	1.2
191.01891	3.3
209.02988	1.7
209.11803	1.6
225.11311	0.8
229.14137	0.7
286.49463	0.7
299.26096	0.8
314.04468	0.8
341.80869	0.6
345.30075	3.4
363.34714	0.8
507.35239	10.1
669.40680	100.0
670.41003	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	669.4505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16882	0.9
59.01246	4.9
69.68661	6.1
73.06812	0.9
78.95775	87.1
91.41905	0.9
96.96825	9.7
100.03921	2.5
101.02338	1.6
116.97157	1.5
119.03371	1.1
141.01569	1.2
150.98033	0.9
152.99490	65.7
176.97983	0.9
182.86755	1.0
217.00333	1.2
241.21649	1.9
255.23270	100.0
256.23605	7.6
277.21710	31.4
278.22162	2.2
279.23404	1.5
391.22522	33.0
392.22745	2.9
409.23569	14.5
413.20975	7.7
421.64209	1.1
431.22366	1.4
623.51855	1.0
669.44965	9.7
670.45453	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	669.348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	5.0
61.98702	0.7
71.01254	1.8
71.57627	0.3
73.02803	0.8
75.90524	0.3
78.95778	1.2
79.81151	0.3
82.62322	0.3
85.02834	0.6
87.00756	0.6
88.03927	0.3
89.02328	0.6
95.04849	0.4
96.95890	0.4
101.02333	1.0
103.03903	0.7
106.85722	0.3
108.12304	0.3
111.04404	0.4
119.03387	0.4
125.02341	0.8
140.63863	0.3
150.48512	0.3
152.99478	0.3
163.06030	1.9
163.11278	0.3
171.10173	0.9
199.13300	0.5
205.07085	0.4
207.10197	0.6
209.11760	1.3
210.06828	0.4
211.13228	0.3
223.13406	1.0
224.09230	0.3
225.11266	0.8
227.12772	0.4
258.51306	0.3
273.12955	0.4
277.73260	0.3
297.17416	0.3
301.21707	100.0
302.22067	8.9
307.10336	1.5
309.20816	0.5
312.05112	0.3
316.14676	4.7
346.33121	0.4
609.32721	6.4
610.32629	0.8
669.30292	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.4
57.03321	0.5
59.01247	4.6
61.98680	0.4
63.51159	0.2
69.03313	1.6
71.01247	3.2
71.04893	0.8
72.99178	0.5
73.02805	0.8
74.02345	0.4
78.95777	0.4
80.02553	0.7
81.03322	1.2
83.01267	0.7
83.04893	5.0
84.02045	1.0
85.02830	1.3
85.06465	0.4
85.66216	0.2
87.00751	0.8
88.80658	0.2
89.02322	2.3
93.03352	0.4
95.01270	0.4
95.04899	1.0
96.95891	0.6
97.02820	0.4
97.06464	0.3
99.00779	0.3
101.02316	3.1
103.03903	0.3
109.02772	0.2
109.06480	0.6
109.97501	0.2
111.08059	0.3
113.02322	1.7
119.03368	0.7
123.08035	0.3
125.02290	0.3
125.05947	0.7
125.09612	0.7
127.61034	0.2
135.08057	0.5
143.03416	0.4
145.04929	0.5
149.09567	0.3
161.04477	0.9
161.13177	0.3
163.06113	0.3
163.11174	3.6
163.79471	0.2
164.11781	0.2
165.12759	2.2
167.10674	2.2
168.49553	0.2
169.12306	0.3
171.10168	3.5
177.12805	0.3
179.05469	0.5
179.10680	0.8
179.14322	1.8
180.14743	0.2
181.12292	0.3
191.10696	1.0
195.13834	5.5
196.14250	0.3
197.11784	0.4
199.13307	0.3
205.12283	6.5
206.12630	0.3
207.10220	0.5
209.11766	100.0
210.12105	5.3
211.13367	0.4
219.37421	0.2
223.13342	60.1
224.13690	3.7
227.12839	15.0
228.13065	0.8
235.08218	2.9
253.09250	9.8
254.09712	0.4
255.23380	0.3
261.14990	1.8
397.23633	0.3
415.24802	0.6
441.20984	0.3
445.20648	1.4
459.22363	3.8
460.22876	0.4
463.22498	0.3
523.06354	0.4
531.05017	0.3
633.32684	1.2
651.33484	1.2
669.31421	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
62.86849	0.5
63.02278	0.5
65.00200	0.6
69.53149	3.6
73.21092	0.4
85.02854	0.5
93.03338	5.6
98.19788	0.9
103.32372	0.5
105.09915	0.4
106.71487	0.4
109.02857	2.2
121.02843	7.6
133.02855	0.7
139.03944	1.2
145.02843	2.3
147.00766	1.7
149.02306	2.3
149.08620	0.4
161.02362	0.6
163.00333	0.7
165.01909	0.6
169.06427	0.5
171.04414	4.0
175.00287	4.6
183.04523	0.7
187.03923	1.1
189.01900	0.5
197.05968	1.1
198.03209	0.6
199.03947	1.4
203.07065	1.9
206.04376	0.5
211.03966	1.7
212.04634	0.8
214.02591	0.5
215.03447	0.9
225.11180	0.5
227.03452	2.0
228.04254	3.0
229.04965	1.7
239.03468	1.7
240.04213	0.7
241.04939	1.0
242.02141	1.3
243.02957	1.8
255.02953	6.9
256.03632	3.8
257.04553	3.3
267.02884	2.3
268.03717	3.5
269.04395	1.1
270.01648	1.4
270.04941	0.5
271.02731	1.6
271.06100	25.3
272.06494	2.1
283.02493	5.7
284.03171	3.8
299.05698	1.4
304.07587	0.5
305.08218	1.3
311.02051	0.7
313.03448	1.2
321.07773	0.8
333.07648	1.9
349.07086	3.5
359.05573	0.7
360.06174	0.5
377.06650	38.0
378.06888	4.1
380.28180	0.5
405.06128	82.9
406.06644	13.4
407.07434	0.6
420.08487	54.0
421.09207	45.2
422.09518	3.9
461.00198	0.5
463.10077	0.9
494.63998	0.5
583.14697	4.2
584.14368	0.7
625.15582	100.0
626.15936	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	667.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01591	0.6
61.98708	2.0
71.01261	4.1
71.57426	0.7
73.02819	1.3
78.95746	1.1
83.01273	0.7
85.02831	1.8
89.02334	1.0
92.33537	0.5
96.95910	1.3
99.00769	0.7
101.02325	4.4
104.58760	0.6
112.22599	0.6
113.02334	3.0
152.99504	0.5
161.04466	3.4
171.88309	0.7
269.25043	1.1
296.83188	0.6
397.13611	1.1
427.35876	1.0
445.37140	1.8
607.42096	12.1
608.42804	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	667.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37494	0.5
59.01252	100.0
60.01579	0.9
61.98693	2.5
71.01244	2.0
71.58439	0.8
73.02837	1.1
78.95789	2.1
82.13384	0.6
85.02834	1.0
99.00747	0.7
101.02330	1.0
108.55659	0.4
112.13173	0.5
113.02347	0.9
130.28490	0.5
148.28163	0.5
152.99582	0.9
161.04504	1.7
171.10263	1.6
192.45732	0.5
255.23219	0.6
277.21661	1.2
386.26605	0.6
390.73877	0.5
607.42163	3.0
651.41528	1.2
658.66315	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36164	0.9
59.01253	100.0
60.01581	1.0
61.98705	1.6
70.92854	1.7
70.93166	1.1
71.01257	2.8
73.02802	1.1
78.95779	2.0
85.02824	1.1
101.02319	2.1
113.02323	2.0
123.74099	0.9
141.13344	0.9
152.99495	1.6
159.02979	1.1
161.04448	2.2
161.15857	0.9
190.10622	1.1
392.78882	0.9
408.18103	1.0
481.58347	1.1
607.42212	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	667.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01583	1.4
61.01663	0.4
61.98708	1.7
71.01255	2.6
71.28759	0.4
71.29096	0.3
73.02830	0.9
78.95784	0.7
83.01282	0.4
85.02843	1.5
89.02336	0.3
90.19315	0.3
95.01264	0.4
101.02329	1.9
102.19304	0.3
113.02345	0.9
152.99524	0.6
159.02927	0.3
161.04462	2.4
171.48399	0.3
214.74721	0.3
255.40349	0.3
607.42194	1.5
651.41309	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.1
59.01249	2.0
61.98698	0.3
71.01252	1.5
71.05896	0.4
73.02801	0.3
77.44286	0.1
78.95789	0.3
83.01249	0.2
85.02829	0.4
87.00739	0.3
89.02324	1.0
97.02814	0.1
97.22639	0.1
99.07940	0.1
101.02324	1.3
113.02318	0.6
114.27016	0.1
119.03409	0.3
125.09608	0.9
127.11182	1.9
143.03447	0.2
153.09082	0.5
161.04416	0.7
171.10176	100.0
172.10516	4.2
179.05455	0.2
211.13304	1.0
235.08203	1.2
237.35664	0.1
253.09274	4.6
254.09691	0.2
271.53964	0.1
275.20084	0.3
277.21707	47.9
278.18991	0.2
278.22064	4.1
293.21252	0.6
309.41257	0.1
386.74374	0.1
407.19244	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66352	0.2
55.01757	0.2
58.12609	0.2
59.01248	3.1
64.54263	0.2
69.86087	1.0
71.01254	2.8
73.02818	0.4
78.95786	0.4
79.40804	0.2
83.01229	0.2
85.02817	0.5
87.00763	0.3
89.02319	1.5
98.19876	0.3
101.02327	2.0
113.02361	1.1
119.03369	0.5
125.09631	0.8
127.07510	0.3
127.11163	1.9
143.03381	0.2
153.09099	0.4
161.04475	0.8
166.72078	0.2
171.10181	87.8
172.10519	3.7
179.05556	0.4
211.13393	0.9
226.08797	0.2
230.98141	0.2
235.08185	2.7
253.09239	5.8
253.11865	0.4
254.09798	0.4
255.23323	0.3
259.20618	0.4
275.20123	0.4
277.21707	100.0
278.19016	0.4
278.22070	9.0
293.21140	0.5
361.51810	0.2
407.19403	0.4
426.10468	0.2
513.30847	0.2
599.74213	0.2
667.38428	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.9
71.01264	1.1
75.00761	0.3
78.10276	0.2
78.95770	0.4
79.95613	2.3
85.02814	0.6
88.45771	0.2
96.95888	100.0
97.93027	0.2
97.95814	0.3
98.20293	1.0
109.06473	0.3
111.50793	0.2
113.02350	0.3
113.92587	0.2
114.75737	0.2
114.93291	0.4
118.96541	0.3
129.57156	0.2
136.05185	1.4
161.06010	0.3
165.09103	0.5
168.54822	0.2
198.99353	0.2
207.10194	0.4
209.11700	0.2
223.13414	0.6
225.11255	0.3
242.20723	0.2
255.10498	0.2
259.01456	0.2
354.47330	0.2
406.13248	0.2
463.34250	2.2
465.28619	0.4
503.23187	0.4
505.35596	0.4
563.25116	0.6
581.26331	1.0
667.34198	0.2
684.97650	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84071	0.2
59.01250	100.0
60.01588	1.0
71.01247	0.3
78.95741	0.4
85.02837	0.3
91.90859	0.2
96.95889	0.6
104.28453	0.3
109.57402	0.3
121.02821	0.4
171.10173	0.5
195.13913	0.6
207.61179	0.3
209.11719	0.5
223.13338	2.7
225.11371	0.3
327.21774	0.4
508.14902	0.3
565.09601	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24538	3.7
59.01247	5.1
64.29346	3.3
65.00199	7.9
65.99718	4.7
67.74999	3.6
71.01254	4.6
71.34766	8.0
72.99168	4.5
73.02803	4.8
74.35774	3.3
76.53434	3.4
79.23457	3.4
83.01255	6.8
85.02828	7.7
89.02332	4.4
95.01277	4.2
96.95901	8.0
104.78249	3.4
107.01250	8.3
109.02822	16.6
110.45794	3.3
111.00690	4.6
123.00733	5.3
123.04451	4.1
125.02322	9.9
131.03316	4.1
133.02821	4.3
134.02368	8.4
137.02345	13.6
139.00233	6.0
143.03380	4.1
147.00772	5.1
148.01561	18.0
149.02335	16.6
151.00276	33.9
151.03882	4.0
152.00970	5.2
153.01877	3.6
161.02419	5.6
162.01888	20.7
163.00256	11.3
163.02573	5.9
163.03870	9.6
164.03381	13.4
165.01817	4.3
166.99760	5.2
169.01303	6.0
175.00258	7.4
175.03909	4.7
177.01840	50.7
178.99750	26.7
186.01877	18.0
187.03958	4.2
189.00453	4.2
190.01381	10.6
191.02097	13.9
191.03604	7.2
193.01363	6.7
199.03906	4.3
202.01367	9.2
202.99762	14.0
203.01668	4.3
204.02951	58.0
205.01334	5.9
214.01370	10.3
215.03476	7.8
227.03477	7.4
227.35992	3.4
230.00731	20.6
242.02107	6.2
243.02945	14.0
245.04567	6.9
255.02913	14.4
259.02472	5.0
267.02979	7.9
268.02380	5.3
269.00912	15.5
269.04062	3.3
270.01691	4.5
271.02472	40.2
272.03171	13.8
273.03986	6.7
283.02460	5.6
284.02832	8.8
285.03937	13.2
286.03885	3.8
287.02011	6.1
290.13675	3.7
294.04141	22.3
295.02350	5.9
296.02078	3.9
296.05475	6.1
297.03812	4.1
299.01962	49.2
300.02502	20.0
301.03458	12.4
310.03616	8.6
312.01929	9.1
312.05383	4.5
313.03503	21.1
315.04285	4.2
316.02109	30.5
317.02930	12.1
322.03525	37.1
324.05002	7.6
339.03830	36.7
340.00894	39.3
340.04599	81.0
341.01468	7.3
341.05225	6.1
357.04684	22.4
358.05658	16.8
463.08914	4.5
501.12555	11.2
530.15173	46.3
531.15649	5.2
556.13025	41.7
581.14752	8.3
607.13043	5.4
608.13892	6.6
623.15851	6.3
625.14264	11.0
648.15741	89.0
649.15302	5.4
666.16809	100.0
667.15576	23.6
689.23358	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01594	1.3
61.98705	2.2
69.87894	2.2
69.88309	1.1
71.01256	5.7
72.99174	0.6
73.02837	1.0
77.29945	0.4
78.95776	2.6
85.02854	1.6
89.02323	5.0
97.06509	0.8
99.00777	0.6
99.81651	0.4
101.02332	4.0
103.35313	0.5
113.02332	2.7
119.03381	2.8
125.09612	4.4
126.09936	0.8
128.79463	0.4
141.01620	0.7
143.03450	0.7
152.99532	1.1
161.04485	2.5
179.05548	2.7
201.11243	3.3
202.11626	1.7
255.23302	2.9
256.23694	1.9
259.41400	0.5
289.25330	3.7
309.28409	0.5
443.36127	0.5
500.16415	0.5
556.57941	0.5
587.39447	4.4
605.40424	2.7
665.42017	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01581	1.1
71.01251	2.5
71.41521	0.5
71.57627	0.9
76.96677	0.4
78.95789	1.0
85.02843	1.5
89.02340	0.5
92.36893	0.6
101.02343	2.0
111.00819	0.5
113.02338	1.0
152.99478	1.0
161.04503	2.6
320.47278	0.5
369.14987	2.5
605.40912	1.4
649.39832	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.3
57.03330	1.2
59.01252	100.0
69.03333	0.5
71.01256	15.1
73.02825	5.2
78.95813	0.7
83.01270	1.9
83.79955	0.4
85.02827	6.9
87.00736	0.5
89.02339	1.7
95.01280	1.2
96.25106	0.5
98.19805	1.8
99.00768	2.4
101.02328	11.0
113.02341	6.4
113.03076	0.7
134.24896	0.4
143.03419	0.7
159.02925	0.8
161.04475	11.0
388.11035	0.6
425.34290	4.1
443.35361	10.5
444.35736	1.2
586.82300	0.5
587.39417	4.8
588.40076	0.8
605.40588	43.4
606.40936	6.9
614.77228	0.4
649.39966	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.3
57.03330	1.2
59.01252	100.0
69.03333	0.5
71.01256	15.1
73.02825	5.2
78.95813	0.7
83.01270	1.9
83.79955	0.4
85.02827	6.9
87.00736	0.5
89.02339	1.7
95.01280	1.2
96.25106	0.5
98.19805	1.8
99.00768	2.4
101.02328	11.0
113.02341	6.4
113.03076	0.7
134.24896	0.4
143.03419	0.7
159.02925	0.8
161.04475	11.0
388.11035	0.6
425.34290	4.1
443.35361	10.5
444.35736	1.2
586.82300	0.5
587.39417	4.8
588.40076	0.8
605.40588	43.4
606.40936	6.9
614.77228	0.4
649.39966	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	2.8
57.03320	5.3
58.00470	3.9
59.01250	94.9
70.72273	5.1
71.01254	67.1
72.01595	2.2
72.99179	4.7
73.02813	15.1
75.00739	3.1
83.01246	7.9
85.02822	38.0
87.00751	7.8
87.04411	2.4
89.01817	2.8
89.02322	32.6
94.07510	1.6
95.01264	8.0
96.95890	9.0
97.02824	2.9
99.00769	7.2
101.02319	39.1
111.00765	3.5
113.02333	37.6
119.03394	10.6
125.02336	5.8
129.01825	3.0
131.03322	2.0
133.04913	2.1
143.03380	6.2
159.02866	2.3
161.04480	12.3
161.05621	1.8
171.80670	1.7
179.05530	4.9
191.01945	3.0
201.07817	1.7
209.03020	1.7
209.28522	1.7
383.11853	2.7
399.23761	8.6
417.24951	10.9
561.29108	100.0
562.29504	13.5
579.30164	77.4
579.39465	2.6
580.30621	9.9
621.30963	8.9
654.21362	1.9
665.21411	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	665.1727
Annotation	Isoscutellarein 4'-methyl ether 7-(6'''-acetylallosyl)(1->2)-glucoside
Peak:m/z	Relative Intensity
58.73778	2.8
59.01234	8.9
69.42912	11.6
69.43341	10.0
70.45663	2.6
71.01244	9.9
72.99192	3.1
77.21187	2.5
85.02822	12.5
89.02322	7.6
95.48027	2.4
96.95877	10.6
101.02358	4.7
119.03424	3.6
151.00264	5.4
165.01859	9.9
167.08589	2.7
185.52834	2.9
191.01917	5.2
198.03041	2.9
198.18182	2.7
199.03891	5.7
209.11702	3.7
215.03491	4.4
226.02623	6.6
227.03438	16.6
242.02066	7.3
243.02951	33.5
254.02170	25.1
255.02968	48.5
256.03601	7.3
257.04416	4.9
269.04584	36.0
270.01700	5.2
271.02448	37.1
283.02484	24.0
284.03244	20.4
285.03854	10.5
286.04681	4.6
297.04080	19.8
298.04788	24.0
299.01920	75.1
299.05557	96.3
300.02515	7.4
300.05844	7.1
314.04327	74.7
315.04987	13.7
341.06711	3.0
383.11832	5.4
400.30701	2.9
445.08115	4.9
460.10031	14.6
503.11902	48.9
504.12119	4.5
537.99194	3.1
665.17163	100.0
666.17322	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
60.01587	1.3
63.69081	1.2
69.63110	7.7
71.01255	7.4
73.02825	1.3
74.36446	1.2
78.95786	5.8
84.59167	1.1
85.02851	2.6
90.10210	1.2
90.20454	1.2
94.47031	1.2
98.19878	2.4
101.02321	5.4
113.02363	4.1
152.99460	2.3
153.96741	1.3
161.04454	4.7
190.91855	1.2
246.92482	1.4
270.57373	1.3
295.22626	1.3
343.89047	1.3
603.39471	2.6
645.13892	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	663.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59215	0.4
53.80788	0.5
57.03314	1.0
59.01254	100.0
59.69891	0.5
60.01591	0.8
69.30029	3.9
69.30435	1.5
71.01254	10.6
72.01588	0.5
73.02843	2.9
78.95781	18.3
83.01272	1.5
85.02831	5.2
89.02331	1.8
95.01321	0.6
96.79530	0.5
96.96845	1.2
98.19813	0.8
99.00779	1.7
101.02325	9.6
113.02338	6.2
119.03387	0.6
144.55190	0.7
152.99483	12.1
159.02913	1.3
161.04482	8.5
171.00569	6.5
250.96365	0.8
255.23325	2.3
281.25064	1.1
435.25290	1.8
440.80347	0.6
441.33569	7.4
442.34238	1.0
483.27466	1.1
525.98981	0.6
603.39038	27.5
604.39166	4.6
663.29279	2.9
663.39850	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97784	1.0
55.01762	1.2
57.03335	1.2
59.01254	100.0
60.01579	1.3
69.93857	3.4
69.94276	1.9
71.01249	16.4
73.02809	5.8
78.95782	3.2
83.01267	3.1
85.02810	7.8
89.02323	1.2
95.01279	1.1
99.00751	2.7
101.02318	13.5
113.02364	6.6
141.01636	1.8
152.99513	2.3
159.02933	2.4
161.04459	9.8
243.11861	1.0
423.32620	4.4
441.33670	12.0
442.33810	2.1
486.92566	1.2
580.48834	1.1
585.37616	5.7
603.39026	46.7
604.39313	8.2
613.90344	0.9
624.75458	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27175	1.1
56.20871	1.1
59.01252	100.0
59.50875	1.2
60.84778	1.1
61.78788	1.1
70.13123	1.2
70.63692	3.1
71.01257	9.5
73.02804	3.0
78.95783	16.1
79.22385	1.1
81.99159	1.4
85.02818	4.3
101.02320	6.8
113.02322	3.4
152.99512	10.7
161.04498	9.3
171.00514	4.7
226.21092	1.3
255.23280	2.2
389.59674	1.3
392.48621	1.3
438.63513	1.5
441.33804	3.9
483.27240	2.3
603.39172	13.8
685.20026	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02024	1.8
51.53417	1.5
58.19743	2.1
59.01240	7.8
60.71344	1.9
69.46561	13.7
71.01257	5.0
73.16754	1.5
75.19465	1.6
82.02849	4.1
85.02830	15.0
89.02319	4.5
94.02859	43.0
94.06496	7.5
96.04443	2.7
96.95886	6.5
101.02312	2.6
105.05727	3.2
106.06507	3.8
107.03635	4.1
108.04421	2.3
111.00771	27.1
113.02332	2.1
120.08076	78.2
121.08451	2.3
122.06015	34.4
122.77916	1.8
124.07537	3.0
129.01859	4.5
132.04417	10.7
133.05016	1.8
134.05995	5.4
136.03915	3.4
138.05498	21.0
146.05992	3.2
146.09650	2.2
150.05487	5.1
152.07071	68.1
153.07402	2.1
154.99741	3.3
164.07066	4.8
173.00844	12.2
191.01852	5.7
209.03009	2.3
211.12306	3.8
213.10170	2.4
217.13278	3.5
223.08684	5.3
225.10289	6.5
237.10269	4.6
238.11049	14.0
239.11800	15.6
241.13475	3.7
251.11792	3.5
253.13441	47.0
254.13940	4.7
259.10663	2.1
261.12372	5.2
265.13400	12.8
267.11340	6.4
267.14352	1.8
279.11331	2.5
285.12457	4.0
291.11530	2.2
297.12381	25.6
298.13007	4.0
302.12454	2.3
303.13553	5.6
330.12030	2.5
364.36237	1.9
390.17978	2.4
402.18344	2.7
418.21359	11.2
424.15042	2.2
450.20166	4.7
462.20343	76.9
463.20667	11.6
494.91040	2.0
559.25616	100.0
560.25800	10.4
601.26666	55.4
602.27167	8.0
619.17560	3.2
619.27631	51.2
620.28033	7.0
645.25635	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	663.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.7
57.03324	11.6
59.01253	9.1
61.98695	1.4
68.99696	0.9
71.01256	10.9
71.58501	0.9
72.99186	10.6
73.02815	2.1
75.00754	1.8
78.95761	0.9
81.06974	0.7
83.01252	2.9
84.02042	2.6
85.02823	100.0
86.03159	1.7
87.00738	2.0
89.02323	3.3
93.03317	1.1
96.95898	1.8
99.00755	2.6
101.02315	3.9
103.00233	2.0
109.02840	2.1
111.00764	6.8
115.00250	2.5
121.02850	1.8
129.01831	9.8
133.01318	5.0
133.02838	4.4
134.03638	9.4
135.04420	10.1
137.02354	10.6
139.03896	3.8
146.03595	0.9
147.02901	18.7
148.05177	2.9
149.05925	0.9
150.03163	1.3
159.04436	1.0
160.01584	0.8
161.02362	4.6
161.04735	0.7
161.05917	4.0
162.03017	0.7
163.02354	2.0
165.03944	1.2
171.10196	1.8
173.00862	3.6
177.05476	0.8
178.02631	15.0
179.03397	6.2
189.05501	24.3
190.05928	1.1
191.01903	65.7
192.02243	1.0
203.03377	0.8
205.55804	0.8
207.01399	1.0
209.02974	50.2
209.11862	1.2
210.03275	1.9
211.13187	0.7
222.05391	0.9
223.06134	1.5
223.13333	0.9
314.87476	0.8
326.06409	14.3
352.04526	1.4
370.05417	30.2
371.05817	2.0
427.24899	2.6
453.22687	1.0
471.24298	0.9
529.74664	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	1.2
62.12910	0.5
65.25323	0.5
71.01257	0.8
72.99175	0.8
73.08933	0.5
75.00757	0.5
79.95624	2.1
81.95183	1.4
85.02823	2.0
96.95890	100.0
97.95792	2.6
98.20283	4.8
98.95473	59.9
98.96292	8.3
99.92456	6.7
100.92440	0.5
115.91961	4.8
116.92745	10.3
117.92760	0.8
141.93417	0.5
165.01929	1.1
184.91748	0.6
191.01814	0.8
196.95448	0.5
198.66443	0.4
209.02940	0.8
230.48775	0.9
242.02161	0.6
243.94507	0.6
243.96786	0.6
254.02191	0.6
267.06717	0.5
270.01749	0.6
271.02438	1.0
299.01999	1.1
313.03574	2.2
314.04227	1.6
315.05066	0.9
324.94516	0.7
325.95197	2.0
326.95914	0.7
339.96567	0.9
340.97433	1.2
352.94064	0.7
353.94653	4.0
354.95358	1.8
355.96298	1.0
367.96408	2.6
368.97076	1.7
369.97781	0.8
380.97656	0.7
381.94229	1.4
382.94870	1.5
383.95590	1.1
395.95804	2.3
396.96536	11.0
397.06836	0.6
397.97284	7.6
398.97983	4.0
399.98666	0.8
410.98160	0.9
412.96054	1.4
425.96628	0.9
426.97659	1.7
436.96008	0.5
455.98059	1.4
509.01797	1.2
519.11395	1.1
521.12384	1.1
525.01263	6.2
526.01611	1.2
541.00848	0.9
542.01483	1.1
543.02295	1.6
583.01685	1.6
601.02948	23.1
602.03381	3.8
619.03931	1.4
645.01740	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.5
57.03331	1.2
59.01252	100.0
60.01599	1.7
64.50911	1.1
71.01260	14.0
71.57954	2.2
73.02818	3.7
78.95774	9.0
83.01250	1.4
84.17205	1.3
85.02821	5.7
89.02328	2.0
99.00757	2.3
101.02320	10.4
113.02331	5.9
142.76750	1.3
152.99510	6.3
159.02847	2.1
161.04489	10.7
165.45221	1.2
210.42975	1.6
248.07538	1.3
326.45993	1.3
439.31943	6.7
538.43329	1.5
601.37408	15.1
602.38037	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	661.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29790	0.8
57.03321	0.9
59.01256	3.2
64.74514	0.9
69.33984	2.0
69.34390	6.7
70.07063	0.8
71.01260	2.0
75.00756	1.6
80.04920	2.8
82.02876	1.8
85.02821	7.2
89.02309	1.1
94.02859	31.8
96.04436	2.6
96.95905	5.0
106.06549	1.2
108.04462	1.2
108.08047	5.1
110.06011	1.4
111.00777	4.0
116.92745	6.3
120.08075	24.1
121.05220	3.6
122.06019	2.0
129.01808	1.6
132.04457	2.2
134.06013	3.3
136.07578	100.0
137.04736	1.6
137.07935	3.6
138.05504	14.5
147.02971	1.9
148.03973	1.2
152.07047	1.6
153.04233	1.7
160.03918	1.9
164.07123	2.2
171.10222	1.5
173.00862	2.5
174.05597	1.4
176.03557	1.5
180.06525	1.3
190.04988	5.6
190.87350	0.9
191.01892	4.2
197.11775	2.8
199.13327	1.4
209.02988	4.0
209.11766	4.0
215.11705	1.0
219.88017	1.0
221.10722	0.9
223.08699	8.0
223.12270	1.1
224.09508	2.0
225.10136	1.8
229.13449	4.0
235.12410	1.4
236.09453	1.6
237.10303	7.7
238.10997	3.8
239.11855	4.7
249.06674	1.8
249.10275	2.0
251.08183	2.2
251.11920	5.2
252.12315	1.5
261.10495	1.0
263.08215	5.6
263.11795	1.8
264.08951	7.5
265.09708	3.2
266.10275	1.0
267.11322	1.7
271.10947	2.1
276.08969	1.0
277.09756	4.0
278.10611	4.2
279.11365	27.0
280.11996	3.8
281.12875	3.9
283.10773	1.3
291.11285	6.3
292.12152	3.5
293.12982	2.1
297.12390	2.6
299.01718	1.1
303.13712	0.9
305.09348	1.6
307.10776	3.3
309.12405	2.8
311.13876	1.9
317.13571	1.0
323.10355	2.2
324.10934	1.8
325.11725	1.3
334.15741	1.2
339.13181	1.7
356.14139	1.3
360.20865	1.7
372.17352	1.4
373.17981	1.4
376.16525	1.1
386.18845	7.6
387.19330	2.9
388.20428	1.8
398.14807	1.3
399.19638	1.2
400.20383	3.0
401.21054	2.7
411.19534	1.2
418.17612	1.2
426.18268	1.1
427.18869	4.2
428.19568	9.4
429.20294	3.0
430.17664	1.3
432.19296	6.8
433.19858	1.0
440.15488	1.1
445.20126	2.6
446.20914	4.9
454.17706	1.4
455.18454	2.6
460.18436	1.0
472.18753	13.7
473.19644	14.4
474.19919	1.8
504.21323	19.1
505.21820	3.5
525.25488	2.3
567.26129	6.3
568.26385	1.4
569.23755	8.0
570.24438	1.8
585.26996	8.4
586.27478	1.3
601.26996	4.9
611.25153	18.3
612.25305	3.6
629.26154	88.7
630.26465	15.1
643.27600	5.7
661.28729	20.3
662.29285	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.9
71.57662	0.9
78.95779	100.0
96.96838	7.4
107.59346	0.5
127.31314	0.5
130.83163	0.5
150.97961	0.9
151.07913	0.4
152.99496	60.3
153.99854	1.4
170.58229	0.6
171.00558	44.3
227.03218	1.5
245.04228	1.1
279.23236	6.5
306.99918	1.6
381.03506	0.6
433.23584	15.0
434.24054	1.5
489.26312	1.6
507.27386	1.5
528.86310	0.7
652.96771	0.5
661.27588	14.0
662.27716	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	661.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.4
71.01250	0.7
71.36874	0.4
71.57074	0.4
71.72556	0.3
78.95785	2.3
79.95592	2.2
85.53843	0.3
88.50553	0.3
94.56948	0.3
96.62096	0.3
96.95888	100.0
96.96770	3.9
98.02348	4.0
135.81221	0.3
139.00459	0.3
295.10349	3.6
672.18866	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	3.1
59.01501	0.5
62.44392	0.5
78.95776	100.0
96.96844	5.5
98.19708	0.9
144.73776	0.6
150.04729	0.5
152.99489	57.2
153.99828	0.6
167.26064	0.5
171.00552	41.0
195.26744	0.5
227.03214	1.8
245.04308	2.3
279.23276	5.8
306.99957	1.5
320.75296	0.5
433.23578	17.4
434.23941	1.8
489.26291	1.3
507.27444	1.5
601.37433	1.3
661.27594	14.1
662.28253	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	661.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07617	0.1
56.63902	0.1
59.01218	0.1
63.63705	0.1
63.93271	0.1
65.09864	0.1
69.35619	0.6
79.95609	2.7
85.02806	0.1
96.95891	100.0
97.95830	0.3
98.95480	0.1
99.92431	0.1
136.90088	0.1
164.02731	0.1
165.01828	0.1
189.50591	0.1
193.24179	0.1
208.74741	0.1
218.19516	0.1
247.95428	0.1
259.40900	0.1
271.02438	0.3
296.89944	0.1
299.01901	0.6
314.04404	0.8
315.05090	0.3
316.05347	0.1
320.79449	0.1
413.01877	0.4
418.08633	0.1
424.26743	0.1
444.83243	0.1
519.11401	1.5
520.11731	0.2
660.60736	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	659.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60585	0.6
57.03327	1.0
58.00474	0.9
59.01254	11.4
69.03331	2.7
70.97625	1.6
71.01301	0.6
72.99189	1.0
78.95786	1.7
83.04907	0.9
93.03354	0.7
96.95848	0.9
99.08028	0.6
113.09602	0.8
121.06514	0.7
127.02496	0.6
129.09142	0.6
147.11713	0.9
149.09650	1.3
152.99484	1.0
156.82254	0.6
161.09634	1.2
162.10442	2.2
163.11208	6.1
165.12737	0.9
167.10696	19.7
168.11015	1.2
169.12321	1.0
171.10260	0.6
173.09692	0.6
175.07310	1.0
177.09178	0.6
179.06836	0.8
179.10710	1.2
181.12254	2.1
185.11765	0.8
191.06941	0.6
191.10674	4.8
193.08400	2.1
196.73677	0.6
197.11758	6.4
203.06813	0.8
207.10002	1.6
209.11794	6.1
213.08905	2.2
219.06398	0.7
219.10042	1.4
221.07906	0.7
227.12956	0.7
229.08473	1.3
231.10004	100.0
232.10355	5.1
233.07957	0.6
237.07411	2.1
241.77919	0.7
247.08228	1.1
249.11287	28.5
250.11479	1.8
251.09033	1.7
275.09012	5.3
281.08893	1.4
291.19745	1.7
309.20718	6.1
310.20917	1.1
310.49692	0.6
311.21585	0.6
327.21786	38.7
328.22128	3.9
331.18896	4.2
349.19983	37.5
350.20395	3.6
523.98071	0.6
659.39838	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	659.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.0
57.03315	1.1
58.03461	0.5
58.91800	0.4
59.01254	4.1
61.98693	0.5
63.41769	0.5
71.01260	5.9
71.57547	0.8
72.99176	0.6
73.02828	2.7
78.95817	0.6
83.01255	2.0
85.02819	5.6
87.00749	0.9
88.98665	0.8
89.02307	0.6
93.61487	0.5
96.95889	6.0
97.02793	0.6
99.00790	0.5
101.02332	4.9
107.04907	1.9
111.00769	1.8
112.29242	0.5
113.02335	1.4
122.03539	0.8
122.05956	0.5
131.08521	0.7
135.04419	33.9
136.04721	1.0
142.45424	0.5
145.02881	0.6
147.04440	0.5
152.07071	1.1
160.05203	1.3
174.06812	0.6
175.07568	2.9
189.09163	5.1
189.25403	0.4
191.01958	0.5
209.02895	0.7
209.11794	1.1
273.15204	0.7
276.17294	17.6
277.17847	1.1
284.65161	0.5
291.19653	5.6
318.18445	0.6
335.53748	0.5
438.22562	55.4
439.22839	6.2
453.24924	100.0
454.25223	10.5
497.24051	8.3
498.24225	1.3
569.13135	1.6
659.29224	11.9
660.30005	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	659.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42330	0.8
59.01257	1.8
71.01243	6.5
71.37653	1.3
73.02817	1.1
73.07395	0.8
78.95774	33.6
78.98460	5.7
79.21429	0.8
79.95606	9.3
80.96388	55.3
81.03324	1.4
85.02816	3.6
85.08709	1.0
87.00751	2.7
94.97951	13.0
96.95911	1.9
96.96857	2.8
97.02835	1.6
99.04349	0.8
101.02335	2.8
106.97966	2.4
117.53927	0.9
118.84240	0.9
120.94393	1.4
122.97459	4.3
125.02336	2.7
129.50058	0.9
134.97517	4.1
136.98970	1.5
148.99042	5.7
152.98473	3.5
152.99521	18.9
162.95485	1.2
164.98535	10.7
171.00533	12.0
182.99690	1.4
206.99605	2.9
209.11852	1.9
225.00690	19.8
236.07227	0.8
243.01746	1.4
277.21725	3.8
299.04355	7.5
327.69443	0.9
381.03397	1.1
431.21899	6.3
577.26874	100.0
578.27197	15.6
599.23584	1.4
659.25250	4.6
659.35724	1.4
660.25659	1.0
683.72546	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.3
61.10766	0.4
80.04926	6.2
83.01205	0.4
85.02837	0.7
94.06493	1.9
96.95879	1.8
104.04913	3.6
106.06510	2.2
107.03661	2.5
108.04464	2.7
108.08064	0.6
111.00719	0.5
120.04358	0.5
121.05228	0.9
122.06007	21.6
123.06355	0.6
123.89373	0.4
124.07522	0.6
130.06520	1.0
132.04442	1.6
134.05019	0.6
134.06007	8.6
136.07571	3.2
139.02676	0.7
146.05995	2.3
147.03058	0.5
148.03900	2.2
150.05522	1.1
152.07074	49.4
153.07411	1.9
160.03925	1.8
160.07552	0.8
162.05536	0.7
173.04741	1.1
173.46111	0.4
174.05556	2.8
180.06570	6.5
181.06859	0.6
186.05495	1.4
188.07091	17.2
189.07481	0.8
190.05005	1.1
197.10791	0.5
203.82166	0.4
210.07899	0.8
211.08678	3.7
213.10304	1.0
214.05086	0.6
218.86691	0.4
223.08707	1.0
223.12282	1.0
224.09532	1.4
225.10315	4.4
226.10989	1.7
227.11826	5.3
228.12306	0.7
229.23743	0.4
235.08783	1.2
236.09193	0.4
237.10274	1.6
238.07483	2.5
239.11867	1.9
245.12915	5.2
249.06462	0.9
249.10330	1.4
250.07416	0.9
251.08263	2.4
251.11853	3.3
252.09050	2.9
253.09787	10.6
253.75787	0.5
254.10451	1.0
263.08170	0.9
264.08942	1.4
265.09821	3.0
266.10449	1.2
267.08212	0.7
267.11346	5.5
277.09784	2.5
278.10425	1.3
279.07690	3.6
279.11371	2.3
280.08466	0.8
292.08566	1.2
293.09222	2.5
294.10071	3.8
295.10855	39.5
296.11142	4.1
306.10013	0.5
307.10886	15.7
308.11237	1.4
309.12271	0.8
313.11853	2.2
321.08820	0.7
323.10306	4.2
325.12076	1.1
339.09714	1.8
339.13394	0.7
351.09808	0.5
358.15552	0.6
364.20474	0.6
390.18195	1.2
392.20001	2.1
400.16782	0.6
402.18091	0.6
404.85510	0.5
412.16779	0.5
414.17929	0.8
417.17239	0.7
418.17685	1.4
432.19458	3.4
433.19388	0.7
436.18536	1.3
440.16541	0.9
458.17435	0.9
460.18777	42.0
461.19083	6.2
476.18347	3.4
486.16672	0.8
504.17761	100.0
505.18085	13.7
508.20822	0.6
536.20355	50.6
537.20703	9.3
565.24286	0.6
609.23145	0.8
627.24750	1.3
650.27838	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.9
59.01250	13.4
59.81006	1.0
61.98684	1.2
66.03375	1.1
67.21427	1.2
69.41952	3.3
69.42378	6.8
71.01255	3.8
72.99194	1.5
73.02824	1.9
78.16837	1.0
78.95772	1.5
79.95608	1.7
80.04922	6.6
80.96433	1.2
85.02833	8.3
89.45533	1.1
94.06499	5.0
96.84112	1.0
96.95890	39.1
96.96838	1.5
101.02318	2.2
104.04935	3.5
106.06508	6.2
107.03647	9.4
108.04442	6.5
108.08099	1.4
111.00751	3.9
113.02257	1.2
116.92652	1.2
118.06507	1.7
120.04444	2.9
120.08086	2.6
121.05213	2.5
122.06007	77.2
123.06328	2.5
124.07574	6.5
129.01813	1.2
130.02829	1.4
132.04428	10.5
134.02470	1.2
134.06020	15.0
136.07576	55.2
137.07828	1.7
139.02628	3.0
146.06010	3.6
147.02965	1.3
148.04019	2.4
148.07626	1.2
150.05508	2.8
152.07076	100.0
152.99507	1.3
153.07402	4.9
158.02399	5.8
160.03967	3.1
160.06352	3.2
162.09128	3.9
164.03448	1.5
164.07172	1.6
166.04968	2.0
168.06578	3.9
173.00819	2.4
174.05522	4.6
176.03470	4.0
180.06586	18.0
188.07085	15.5
190.05022	34.6
191.01935	3.4
191.05670	1.7
192.01970	1.1
192.06557	2.1
195.10162	1.2
197.07149	1.7
209.02969	1.8
209.11809	2.2
210.07843	1.8
211.08691	4.7
213.10237	17.2
215.11806	1.6
223.08904	2.3
223.12456	2.0
224.09578	3.4
225.10236	7.1
226.10999	3.9
227.11917	4.8
235.08760	1.8
237.10265	4.2
237.89929	1.2
238.07484	3.2
239.08186	4.4
239.11913	9.2
241.09686	3.0
241.13409	16.9
243.11392	4.6
245.12975	3.1
249.06670	1.7
249.10327	2.3
250.07649	1.4
251.08273	4.1
251.11917	5.0
252.09009	3.4
253.09760	13.2
253.13412	2.3
254.10257	1.3
257.12869	3.4
258.13281	2.0
263.08215	1.4
264.09076	1.9
265.09824	3.8
266.10620	3.8
267.07831	1.2
267.08606	1.5
267.11353	10.8
267.14981	3.2
268.11996	2.2
269.12888	1.7
277.09827	2.9
279.07724	3.4
279.11395	4.8
280.12292	1.5
281.09171	1.9
281.12958	3.2
283.10828	1.5
285.12427	44.2
286.12808	2.1
291.08002	1.5
293.09308	3.7
293.12485	1.3
294.10022	3.7
295.10870	32.3
296.11533	5.4
297.12430	14.4
298.12695	1.9
301.12051	1.6
302.12515	4.3
303.13623	9.5
307.10910	12.7
311.10376	1.7
312.11105	2.3
313.11884	5.4
322.09283	1.3
323.10413	3.8
325.11929	3.7
339.09973	1.5
341.11514	4.1
355.12933	55.3
356.13510	5.5
357.14395	3.3
386.18817	1.6
411.00046	1.5
418.17569	2.0
432.19421	1.9
436.19629	1.6
441.22778	1.5
448.18912	2.3
450.20618	1.7
460.18790	30.3
461.18924	4.3
464.18295	3.1
477.18597	5.6
478.19733	12.0
479.19739	1.8
491.16763	1.5
492.21613	24.3
493.21387	2.8
504.17810	60.2
505.18140	7.5
523.19727	3.0
524.20239	3.9
536.20337	77.1
537.20776	11.8
539.26880	3.6
565.25000	2.6
583.25647	49.5
584.25995	9.6
609.23291	1.6
615.28284	24.5
616.28479	4.9
627.24542	10.4
628.24719	1.9
641.26288	2.6
659.26990	10.5
660.27136	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	659.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	14.3
61.98672	1.4
66.91772	1.1
71.01239	2.7
71.37531	2.7
78.95802	1.5
80.04926	13.9
85.02831	5.6
91.32357	1.3
92.19073	1.1
94.02855	3.7
94.06484	1.2
96.95917	1.9
104.04954	4.7
106.06499	2.7
108.04440	4.5
108.08077	7.2
111.00828	2.4
113.10616	1.1
120.04421	1.2
120.08090	3.0
121.05224	4.4
122.06037	11.2
124.03965	4.2
125.09642	1.2
132.04407	3.9
133.05046	1.3
134.06006	4.5
135.03166	1.8
136.03960	8.3
136.07578	92.2
137.04779	2.5
137.07915	4.4
138.05476	7.2
147.05560	4.1
148.03958	3.0
150.05499	12.6
152.07086	7.7
153.04253	2.3
160.03957	2.8
162.05392	1.2
168.06546	2.8
171.10202	4.6
173.00883	1.2
174.05527	3.6
175.05081	3.5
180.06834	1.3
185.11745	2.7
186.07985	1.3
186.12749	1.5
190.05022	4.1
197.11758	5.6
201.10239	20.1
202.12247	1.6
209.11838	8.1
213.09956	6.9
223.08661	1.8
224.09332	1.5
225.11362	1.6
227.11948	4.7
229.09808	25.6
229.13374	21.8
235.08455	1.7
237.10223	3.3
239.11902	11.0
241.09772	2.7
245.12912	1.8
247.10851	3.6
249.10439	1.4
253.09477	1.9
255.11365	11.3
257.13016	7.6
265.09763	2.8
267.11276	3.5
273.12396	7.8
277.09808	2.4
278.10553	2.0
279.11337	4.9
280.12115	1.6
281.12909	2.5
289.11853	6.0
291.11267	1.6
295.10941	2.1
297.12378	11.8
301.11896	21.4
302.12482	2.9
307.10867	5.1
309.12433	7.5
317.11627	1.6
319.12979	100.0
320.13278	9.6
323.10452	1.7
327.13580	4.7
332.13678	1.5
339.13461	3.7
344.10269	2.1
345.11450	1.6
346.11957	1.8
355.13071	1.8
356.14136	1.6
358.11728	2.3
359.12787	2.2
360.13605	2.4
372.13440	3.6
373.14215	2.5
374.15195	13.3
391.15393	3.6
392.16187	12.8
393.16226	1.7
403.15320	2.4
415.15393	1.8
416.16174	7.3
418.13733	1.4
434.17227	5.3
441.23199	1.6
446.16748	2.1
460.18768	2.7
504.17612	4.2
515.26538	2.3
523.23633	2.8
536.20428	3.5
541.24536	26.0
542.24628	6.0
553.23492	1.8
555.26141	1.5
565.24756	10.5
566.24164	1.4
567.22784	1.9
583.25604	86.2
584.25995	13.3
585.23450	1.7
586.23895	3.6
609.23285	3.9
610.21326	1.4
615.27881	1.9
627.24591	98.6
628.25006	18.2
659.26965	23.1
659.36646	1.8
660.27838	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	659.26
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40224	0.4
78.42667	0.4
78.95779	100.0
96.96854	7.8
150.37030	0.5
150.97942	1.5
152.99496	72.5
153.99857	1.0
171.00562	48.1
172.00957	0.8
227.03194	2.5
229.32521	0.7
242.45039	0.4
245.04527	0.6
277.21707	4.7
278.22095	0.7
306.99921	2.3
347.32251	0.4
381.03433	0.9
431.22043	15.6
432.22375	1.9
477.91165	0.5
487.24884	1.4
505.25623	1.3
567.21326	0.6
615.13745	0.6
659.26147	16.2
660.26239	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	659.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82301	0.8
59.01242	3.5
61.48468	1.1
62.01636	0.8
63.64236	0.7
65.58974	0.7
71.01248	2.9
71.57709	1.2
75.34268	0.7
78.95785	1.4
79.95573	0.8
80.96385	2.2
85.02818	5.5
89.02337	1.1
92.17976	0.8
93.03321	7.9
94.06504	5.1
96.95883	11.5
101.02312	1.2
106.06502	3.1
108.04437	1.3
109.93269	0.9
111.00755	1.9
118.06509	3.3
120.08064	2.6
122.06004	4.2
124.07588	3.8
128.27036	1.0
134.05875	0.8
136.07582	1.9
147.96498	0.8
150.05632	0.9
152.07071	4.9
152.99461	1.0
160.03854	1.0
165.01825	1.2
168.06599	0.9
171.10178	3.1
185.11749	1.0
190.04991	2.4
191.01799	2.2
197.06032	1.0
199.03915	0.9
209.03040	1.4
209.11745	3.5
211.13326	1.4
213.11244	1.5
225.11253	1.1
227.03459	1.1
227.12784	1.9
239.03467	3.0
239.08098	1.2
239.11830	1.8
241.09656	0.8
249.10318	1.3
251.12019	1.8
253.09593	2.7
255.11441	1.1
256.36841	0.9
265.09607	1.2
266.06967	1.4
267.07846	1.7
267.11374	1.2
269.04642	1.4
269.12973	1.5
278.10364	1.0
279.07922	1.2
281.04388	1.6
281.09296	2.4
283.10922	6.3
287.10196	1.2
289.08881	1.0
293.09344	1.3
294.09940	0.9
295.10895	5.6
299.05521	1.7
317.08057	1.1
319.09805	1.3
327.13354	1.5
329.07938	1.8
332.06839	1.7
333.07642	15.0
334.08093	1.1
345.07654	5.7
347.09052	1.2
361.07159	3.0
373.07269	2.5
374.07861	1.9
375.08511	2.0
401.06573	0.9
402.07385	2.4
402.12686	0.9
402.18152	0.8
403.08090	7.0
418.17712	2.7
420.19327	4.3
439.11847	56.5
440.12338	5.6
460.18866	2.1
467.11267	15.0
468.11920	6.5
469.29736	0.9
496.11554	21.5
496.20694	5.5
497.12347	7.7
497.27243	0.9
504.17773	6.6
522.18781	1.9
536.20331	3.7
565.13611	2.6
565.24561	3.2
609.24091	4.3
623.24982	1.7
627.24396	1.2
629.26129	2.1
641.26001	24.8
642.26221	2.8
659.17621	100.0
659.27441	10.7
660.17938	17.7
660.27075	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44634	25.0
69.42870	22.9
70.19116	80.1
70.19523	48.7
70.97502	28.5
78.95770	87.3
85.89075	24.7
100.38451	25.6
133.04939	100.0
152.99492	35.7
177.56435	25.6
191.49347	23.6
392.76691	27.1
519.48187	24.7
552.02496	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89809	0.5
59.01251	100.0
60.01571	0.9
69.08935	0.5
71.57825	0.8
76.87341	0.4
78.95778	29.4
80.96399	1.4
89.61291	0.5
96.13468	0.5
96.96863	2.1
97.02794	0.6
141.01599	71.7
142.01947	1.9
152.99495	20.2
171.00555	11.9
175.54568	0.5
182.43585	0.6
224.06929	0.8
227.03139	0.7
252.40642	0.5
277.21747	3.6
280.10336	0.5
311.29141	0.5
321.24857	0.6
431.21799	3.6
435.31213	0.5
441.73795	0.5
502.29572	3.2
551.53522	0.5
577.26416	2.3
627.48895	0.6
658.34442	0.6
659.25922	5.0
684.45459	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.6
59.01239	1.8
69.03326	3.3
69.24388	4.6
71.01237	0.5
71.04889	1.2
78.95781	1.0
81.03337	0.5
83.04914	0.6
84.79778	0.4
93.03333	0.7
95.04903	0.7
97.06474	0.9
97.63969	0.4
99.04424	0.6
109.06442	0.4
121.06461	0.6
135.08072	0.6
152.99469	0.6
165.60925	0.4
174.99164	0.5
189.16409	0.7
195.13841	6.1
203.14346	0.5
205.15891	1.9
207.13881	2.2
207.15828	0.4
207.17497	3.4
209.11852	0.5
221.15369	2.2
223.16980	13.8
224.17236	0.7
233.15433	8.9
234.15636	0.6
235.16963	1.0
249.11040	1.1
251.16510	42.1
252.16840	2.8
265.08548	0.6
271.13138	2.0
273.14706	3.3
273.17807	0.6
287.10043	0.5
289.12106	19.7
290.12396	1.7
291.19672	5.8
299.10181	0.5
305.10712	1.1
307.12305	2.7
309.20706	100.0
310.21024	8.1
325.20181	1.1
347.11591	0.5
347.15311	2.3
361.13232	1.0
485.25919	3.7
489.37131	0.6
497.25473	0.6
511.27490	0.6
523.27319	1.0
541.28473	32.3
542.28717	4.2
581.31622	1.3
599.32568	6.1
600.32880	1.4
657.25873	0.7
657.36102	2.1
658.36591	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01279	9.7
60.11798	3.5
61.98713	25.8
67.15561	3.7
69.23768	47.9
71.04878	6.1
78.95792	16.2
84.93366	4.0
85.02859	4.3
96.95911	15.5
98.48071	4.3
115.50264	4.0
121.10107	4.7
123.08092	4.8
125.09661	6.1
137.09610	6.9
139.07455	3.9
143.64270	4.6
152.99561	10.3
169.35605	3.8
171.10190	14.7
185.11757	9.4
197.11858	6.8
206.30865	4.8
211.13356	5.8
219.13765	5.8
233.11572	13.4
245.11639	9.8
247.13155	10.7
251.16505	14.1
261.11148	6.1
275.12674	14.2
291.19769	37.6
309.20682	100.0
310.21057	11.6
315.07605	4.2
325.20172	48.9
329.15756	5.7
347.18756	23.2
445.57367	4.6
639.36005	7.7
657.37921	92.1
658.38171	24.1
668.16095	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	657.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.6
58.04208	0.9
59.01251	12.2
61.98721	0.8
69.03337	1.6
71.01244	6.1
72.99183	0.9
77.99167	0.8
78.95798	1.9
81.03336	1.0
83.01231	1.0
83.04893	4.9
85.02843	4.2
85.06467	1.3
89.02306	5.0
95.01276	0.9
95.04912	1.9
96.95880	4.7
97.02840	0.9
97.06474	3.1
98.34788	0.9
101.02324	4.4
109.06469	2.5
111.08059	2.3
113.02307	1.7
119.03442	0.9
121.06454	1.5
122.06023	1.1
123.04405	0.9
123.08086	1.7
125.09608	11.1
135.07976	1.1
136.07578	0.9
137.09531	1.2
151.11212	1.1
152.99617	1.0
153.05396	1.0
161.04514	2.0
163.11240	2.2
165.12685	0.9
169.12257	1.8
171.10178	21.5
172.10617	1.2
176.44670	0.9
181.12077	0.9
183.13892	1.8
185.11720	1.8
187.14763	1.4
189.16437	1.3
190.59697	0.8
197.11818	1.1
205.15892	3.4
207.10191	1.5
207.13995	1.5
209.11775	29.3
210.12088	2.1
211.13338	36.8
212.13618	1.8
213.14775	0.8
215.14326	2.2
217.00359	1.0
219.10257	1.0
221.15485	2.5
225.11301	1.8
227.12820	6.4
229.21716	1.2
231.13846	3.3
233.15410	37.5
233.17770	1.8
234.15799	2.6
237.63390	0.9
247.13319	1.0
249.14877	9.7
251.16443	2.4
253.09293	5.2
255.11348	2.9
257.17615	1.3
281.09268	1.3
283.18976	1.4
328.26117	0.8
331.26401	2.6
339.22925	0.9
341.24741	3.1
359.25827	1.3
367.22760	0.9
368.22806	0.9
375.25565	1.8
377.27039	1.5
385.23773	8.9
393.26443	1.2
403.24881	22.7
404.25186	3.5
421.25964	14.8
422.26114	1.8
571.10571	1.5
572.09473	2.4
581.23834	1.4
625.22937	1.1
639.23279	1.5
639.33801	34.4
640.33868	5.8
657.25519	10.3
657.34949	100.0
658.25885	1.6
658.35272	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	657.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18533	0.8
50.42256	0.8
57.03332	1.7
58.80058	0.7
59.01246	11.4
59.08830	0.8
61.98703	1.9
66.48343	0.8
66.80367	0.7
69.03311	1.6
71.01261	8.0
71.21678	1.5
71.22038	1.1
73.95571	0.8
78.95795	2.2
81.03326	1.3
83.01270	1.5
83.04906	5.8
84.02075	1.4
85.02831	3.7
85.06456	2.0
87.00724	1.9
89.02306	4.3
95.04903	1.2
96.95889	4.6
97.06465	2.4
99.00747	1.5
101.02277	5.4
106.06450	0.8
108.04430	0.9
109.06474	1.4
111.00748	1.9
111.08022	2.6
113.02306	3.2
119.03387	1.4
119.04891	1.1
122.06015	6.8
123.08038	2.3
125.09593	7.1
134.06070	1.6
135.07983	1.3
136.07547	0.8
151.11179	1.3
152.07033	2.1
161.04532	1.3
163.11205	2.2
164.49069	0.9
169.12254	1.3
171.10182	19.2
172.07593	0.9
172.10587	1.0
176.93929	0.9
183.13849	2.2
185.11740	1.8
193.12157	0.9
205.15945	3.4
207.10210	1.6
207.13835	2.6
209.02893	1.3
209.11772	30.3
210.12076	1.8
211.13347	30.7
212.13615	2.3
215.14410	2.0
219.10175	1.0
221.15456	2.5
225.11258	1.7
227.12839	5.7
229.09750	2.6
229.14421	3.1
231.13860	2.4
233.15442	21.1
234.15807	2.3
235.08174	1.9
249.14911	10.8
250.15260	1.0
251.16438	1.3
253.09224	7.1
257.12900	3.2
257.17291	1.7
259.10815	11.0
260.11331	1.3
283.10883	1.0
285.12408	1.6
295.14319	1.1
301.11954	2.9
313.25381	1.5
323.14508	0.8
331.26532	2.1
340.23880	0.9
341.24814	2.8
353.15057	1.1
357.23953	0.9
359.25937	2.6
367.22852	1.8
375.25436	1.0
377.27048	1.3
385.23825	6.1
403.24832	17.0
404.25247	2.3
421.25977	17.8
422.26108	1.0
471.18292	0.8
495.16684	1.4
534.18909	1.4
563.23706	1.3
581.23724	2.0
607.21918	2.2
625.22626	2.3
639.33789	19.2
640.33948	2.1
657.26221	3.8
657.34943	100.0
658.24963	1.4
658.35266	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	657.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.7
59.01252	14.0
61.98698	2.1
65.03816	0.8
66.00357	0.8
69.03319	0.8
71.01258	11.2
71.57943	1.1
72.12737	0.8
73.62379	0.7
75.00750	1.1
78.95772	3.5
81.03329	1.1
83.01259	1.1
83.04890	6.4
85.02826	5.4
85.06450	1.5
87.00751	1.6
89.02319	6.3
95.04914	1.3
96.66174	0.8
96.95897	7.1
97.06459	2.1
99.00763	1.9
101.02324	8.0
106.06509	1.0
107.04878	1.1
109.06477	2.0
111.00780	2.2
111.04400	1.0
111.08029	4.3
113.02325	4.4
119.03380	1.7
119.04891	1.4
120.04406	1.0
121.06513	0.8
122.06014	1.8
123.08042	1.1
125.09609	8.6
132.04446	3.1
133.04970	1.1
135.08107	0.8
137.09549	1.3
150.05521	0.8
151.11108	1.4
152.07071	2.9
152.99487	2.3
160.03973	1.2
161.04492	1.9
163.11172	2.6
167.10710	0.9
169.12242	0.8
171.10182	27.5
173.00919	1.1
183.13824	1.4
185.11737	2.3
187.14838	1.2
191.01904	1.4
195.10168	2.3
197.11769	1.1
199.13344	0.9
201.11122	1.2
201.14877	0.8
205.15881	3.6
207.10164	2.3
207.13882	1.1
209.03004	1.0
209.11775	26.5
210.12080	5.7
211.13371	27.1
212.13620	1.6
213.12881	0.9
215.14447	1.9
221.15620	1.6
225.11226	3.1
227.12881	4.4
231.13844	2.6
233.15424	19.6
234.15775	1.9
235.13376	1.1
237.14838	1.4
239.11975	1.2
241.01164	0.7
241.09814	3.0
243.12212	0.8
249.14941	12.2
251.16507	1.2
253.09303	9.1
255.11383	1.3
256.12006	1.0
257.12927	2.7
257.17505	1.2
265.09747	0.9
267.11362	1.4
277.09573	0.9
279.11298	1.0
315.13422	3.6
331.26352	1.3
341.24860	3.0
359.25815	1.9
367.22876	2.0
375.25531	2.2
377.27039	1.7
385.23880	6.4
386.24188	0.8
393.26068	0.8
402.87030	0.8
403.24933	16.4
404.25183	1.5
421.25909	16.7
422.26233	2.4
534.19147	1.1
563.22577	2.2
581.24084	2.5
595.22113	2.6
625.23254	2.3
639.33679	11.4
640.34021	2.1
657.34943	100.0
658.35266	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	657.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.0
58.00464	1.1
59.01251	21.8
67.21729	0.4
69.66101	1.2
69.66532	1.5
71.01252	14.4
72.99173	1.3
73.02806	1.2
75.00727	0.4
83.01265	1.0
83.04901	0.4
85.02821	5.3
87.00758	0.7
88.98683	0.4
89.02313	9.1
95.01266	1.7
96.95879	0.7
101.02317	9.2
107.04901	0.5
109.90932	0.4
111.00739	0.6
113.02332	4.0
119.03380	2.8
129.01785	0.5
135.04413	13.4
135.18315	0.4
155.84782	0.5
174.06720	2.4
175.07524	0.9
189.07422	1.0
189.09128	16.0
190.09486	0.8
191.01840	0.7
209.03035	0.7
256.14618	3.2
258.16235	2.1
271.17044	0.8
274.15723	10.0
275.16205	0.8
284.02948	0.4
289.15073	0.4
289.18106	2.3
313.03540	1.2
314.03796	0.6
389.13577	0.5
436.21005	16.3
437.21335	1.8
451.23361	100.0
452.23694	12.0
452.29974	0.7
495.22424	6.0
496.22504	0.7
519.10278	0.8
613.15002	0.5
657.27692	10.7
658.27838	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	657.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88159	1.3
58.20270	1.5
59.01251	3.1
59.77819	1.5
61.98684	1.5
67.41206	1.5
71.12286	2.6
71.12630	2.6
74.67393	1.5
78.95774	15.2
82.02776	1.7
93.03334	4.9
96.95888	3.9
96.96850	3.1
103.05430	1.7
107.92721	1.5
119.04904	7.0
121.02850	18.6
122.03146	1.8
130.04146	12.0
131.04034	2.7
131.04935	35.5
132.05260	1.7
135.04402	1.8
137.04352	1.6
143.04869	3.4
147.04399	5.9
149.05991	16.7
152.99498	10.8
159.04501	1.8
160.05212	3.8
161.05930	2.8
223.13390	2.1
241.01154	3.7
247.07553	3.9
259.07764	2.3
273.09290	1.9
294.44009	1.6
329.11890	2.2
341.11581	1.9
342.12738	3.0
351.10104	2.1
353.11884	2.7
354.12488	3.4
355.13239	3.4
359.12692	3.7
365.11810	2.6
366.12222	2.3
377.11716	2.2
379.13538	2.3
382.12027	2.6
383.12927	3.5
385.14133	1.9
395.12820	2.8
400.13022	2.9
411.15753	3.1
413.14014	6.6
415.15292	3.9
423.15833	2.0
431.44345	1.7
443.14752	2.5
445.16888	2.7
473.17438	5.0
475.17627	7.7
485.17432	6.5
503.18753	10.2
504.19034	2.2
507.19968	7.4
515.18585	9.1
533.19592	25.4
534.19824	4.0
563.20770	22.3
564.21240	2.4
565.22321	2.2
575.21075	2.6
593.21881	16.4
594.21997	3.0
595.23401	100.0
596.23596	23.2
607.23499	3.1
625.24390	46.6
626.24628	8.3
657.26611	29.2
657.36261	1.8
658.27216	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	657.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.7
67.01759	0.6
68.10760	0.5
71.01257	1.0
71.04219	1.3
71.04591	1.1
71.29810	0.6
85.02868	1.4
96.95887	1.2
108.04404	0.7
120.04453	2.9
121.05193	2.5
122.05999	5.8
126.74844	0.6
132.04549	0.6
134.06007	1.9
135.06766	1.1
136.07593	10.6
152.07048	3.5
171.00871	0.6
171.11668	1.4
185.10187	0.6
189.10381	0.7
190.05011	2.5
198.09169	1.3
199.09889	1.3
209.11757	5.5
211.13344	2.4
214.12303	11.8
215.12727	0.9
226.07219	0.7
227.08142	2.5
228.09093	1.4
229.09824	4.5
229.14700	0.7
230.11861	4.9
241.09773	8.6
242.10556	16.4
243.10883	1.3
256.12027	1.1
257.12930	87.5
258.13312	6.5
283.10977	0.9
301.11920	100.0
302.12256	7.0
355.12973	6.3
581.24597	0.6
657.26221	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47159	0.5
69.80812	2.1
69.81221	1.2
71.01250	1.3
73.02821	0.6
78.95773	1.1
85.02807	1.4
95.01250	0.7
98.19802	1.1
101.02311	0.9
108.02052	41.9
109.02854	13.4
110.98404	0.7
113.02287	0.8
123.00782	0.8
151.03867	1.4
152.01056	38.0
153.01846	15.4
163.03902	0.6
165.01813	0.9
209.09569	0.5
278.87207	1.5
296.88376	0.7
315.07214	100.0
316.07541	6.1
465.20703	0.6
581.05554	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3618
Annotation	Mauritine J
Peak:m/z	Relative Intensity
59.01251	11.4
61.98709	42.8
71.01243	10.2
71.57615	5.3
78.95788	13.8
96.95889	8.9
106.79150	5.8
121.02840	10.6
130.96175	4.7
152.99464	12.5
260.32010	5.2
294.71365	5.4
310.59845	5.5
601.37219	19.4
619.38654	10.8
655.35571	100.0
656.36035	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24289	8.6
58.36190	11.1
59.01244	29.7
61.98710	54.1
69.28771	15.0
69.29189	88.9
69.29488	9.0
69.79508	9.5
71.01253	35.7
73.02853	9.8
78.95766	40.4
95.01287	13.8
101.02306	16.6
113.02323	18.0
137.02330	11.1
138.01860	10.4
139.00246	21.7
152.99475	35.5
161.04494	9.4
167.33199	9.9
188.50615	9.7
196.21275	9.9
213.86676	11.3
240.30423	10.0
417.17679	16.0
615.58063	10.8
655.40192	100.0
656.37097	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	655.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
69.03326	2.2
71.01250	17.6
71.57969	4.0
73.02802	2.8
77.42703	3.0
78.95392	2.7
78.95776	18.0
83.01259	3.2
85.02843	2.8
87.00764	4.6
89.02342	15.3
90.02637	2.8
101.02333	13.1
104.52962	2.3
108.58949	2.4
113.02304	4.2
118.80508	2.3
119.03389	4.7
125.02377	3.8
128.81317	2.2
141.01611	64.5
152.99443	13.8
156.03891	2.5
160.72638	2.7
235.08197	4.5
255.23280	22.0
256.23523	20.8
257.23920	7.6
277.21967	4.0
279.23215	3.5
293.21179	2.9
397.13449	8.8
398.13849	12.6
399.13980	11.5
416.14944	4.9
422.16309	2.9
509.33875	2.8
535.27905	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	655.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.7
59.57660	0.6
69.46977	2.4
69.47404	3.9
71.01250	1.4
73.02830	0.8
78.95769	4.4
83.04880	0.6
85.02843	1.6
96.95911	1.1
99.04397	26.7
101.02341	1.2
108.02085	1.7
110.19373	0.8
121.02836	3.7
122.03613	2.1
133.59494	0.7
134.03651	1.7
135.04411	4.1
149.02325	1.2
150.03130	2.3
151.03920	1.1
152.99501	2.7
157.06572	0.9
159.04442	1.2
159.08012	0.8
162.03163	2.1
163.03984	0.8
163.07504	0.9
171.08046	2.0
174.06793	1.3
175.07599	4.0
185.05991	1.9
187.07568	4.2
188.08319	3.3
190.06322	1.4
191.07004	1.1
201.05415	1.0
202.06110	0.7
203.07069	2.0
215.07097	24.0
216.07774	3.9
228.11432	1.3
243.13879	14.9
259.13388	7.0
269.11960	0.8
269.60474	0.8
271.13403	17.5
272.13773	1.0
297.11127	1.0
301.14328	0.8
303.12384	8.4
303.15717	1.0
315.12396	100.0
316.12704	9.1
329.10291	1.7
357.13321	3.1
432.66040	0.8
444.57712	0.7
611.23407	3.0
623.23474	44.0
624.23816	6.0
637.44501	0.9
655.22186	7.5
655.39862	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	34.1
63.26376	1.8
69.13724	1.7
70.00369	1.9
70.86653	1.7
71.01256	23.8
72.99181	17.3
85.02819	6.0
88.98690	6.3
89.02319	26.3
91.00251	23.0
101.02328	14.4
108.96928	1.7
113.02336	9.2
115.03929	4.0
119.03386	12.2
119.28074	1.8
123.04391	2.7
133.04948	4.2
153.09183	2.1
179.05574	3.2
230.85477	3.1
253.10771	4.4
295.10321	100.0
296.10748	7.1
349.49683	2.1
500.24084	2.1
597.63690	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	655.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	0.9
63.02269	0.6
65.00198	0.6
71.35007	0.8
85.02814	2.7
88.23460	0.4
93.03340	4.1
99.01729	0.3
107.01262	0.7
109.02836	3.0
111.00796	0.6
119.01279	1.1
121.02813	1.9
133.02861	0.4
135.00781	2.2
135.60849	0.3
136.01561	0.6
137.02332	4.1
139.03937	2.0
143.04921	0.6
147.00803	0.8
147.02930	0.6
147.04439	0.7
148.01587	4.2
149.02348	5.9
151.00356	1.1
159.04401	1.0
161.02339	1.5
163.00272	22.7
164.00734	0.9
165.01820	1.1
167.04909	0.7
169.06467	1.3
171.04417	4.4
173.02322	0.4
173.06007	1.0
174.03082	0.6
175.00302	4.1
175.03908	0.5
176.01065	15.9
177.01819	2.6
178.99744	0.4
182.03619	0.6
183.04485	2.0
184.05128	0.6
185.05952	1.4
187.03929	2.4
189.01836	0.6
189.05490	1.5
190.99796	1.1
191.01860	1.2
195.04402	2.4
196.05188	2.4
197.06012	2.2
198.03159	1.5
199.03865	2.2
200.04778	1.5
201.05515	0.5
202.02545	0.6
203.03497	0.4
204.00639	1.8
205.01309	0.5
209.02922	0.9
211.03937	12.1
212.04688	2.5
213.02017	0.9
213.05487	8.5
214.02599	1.6
214.05875	0.6
215.03435	10.0
216.03951	1.1
217.04993	3.0
219.02829	0.6
223.03963	1.8
224.04604	1.0
225.05421	0.6
226.02625	1.8
227.03436	4.5
228.04225	4.0
229.05008	3.8
231.06633	0.5
239.03442	8.2
240.04224	4.8
241.01291	0.9
241.05020	11.7
242.02161	4.3
242.04871	0.6
243.02936	4.0
251.03487	0.9
254.02110	0.8
255.02991	9.7
256.03748	14.4
257.04507	16.4
258.04861	0.9
266.02145	1.2
267.02960	21.1
268.03598	4.0
269.04465	2.6
269.98911	0.7
270.01688	10.6
271.02432	6.7
281.00891	1.0
282.01553	0.6
283.02466	60.3
284.03143	12.8
285.04019	20.6
286.04520	1.8
295.02454	4.1
296.03168	0.5
311.01981	17.3
312.02725	61.2
313.03506	86.9
314.03879	5.9
333.07336	0.4
353.08661	0.9
361.07245	0.5
377.06717	1.0
406.06909	36.6
407.07523	13.0
408.07898	0.9
475.08722	1.0
517.09827	100.0
518.10181	12.2
559.51929	0.4
569.13196	2.1
611.14014	58.4
612.14288	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	655.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	3.7
61.62469	1.1
69.61852	3.3
69.62271	5.2
71.01266	1.9
72.99198	2.5
75.00748	1.4
82.11440	1.2
85.02835	10.8
85.07243	1.1
89.02350	1.3
93.03349	2.9
99.98569	1.3
109.02862	1.9
111.00729	2.6
116.16664	1.4
129.01849	2.3
133.04965	10.0
135.00830	1.3
137.02356	2.6
148.01543	2.7
148.56541	1.4
149.02394	3.8
163.00244	13.8
169.06506	1.4
171.04427	1.8
173.00890	1.2
175.00310	2.4
176.01077	11.1
183.04514	1.7
185.05867	1.3
187.03932	1.5
191.01913	4.9
191.64391	1.3
195.04599	2.0
197.06097	2.0
199.03882	1.4
200.04720	2.1
209.02896	1.7
211.03922	10.1
212.04750	2.0
213.01991	1.4
213.05536	4.6
214.02568	1.6
215.03465	10.6
217.05025	2.1
223.03908	1.7
227.03441	2.0
228.04199	2.2
229.04950	1.9
239.03470	6.8
240.04260	4.7
241.04942	7.2
242.02159	3.3
243.02902	2.6
255.02966	8.4
256.03726	13.6
257.04492	13.8
267.02908	13.4
268.03922	2.2
269.04538	2.0
270.01712	5.6
271.02359	3.9
283.02460	56.8
284.03244	9.5
285.04022	14.1
295.02484	4.7
311.01941	15.8
312.02750	65.9
313.03525	74.6
314.03973	4.4
406.06903	34.5
407.07571	9.1
457.07629	3.7
511.96371	1.4
517.09845	100.0
518.10211	13.2
537.55652	1.3
551.12073	2.5
611.14020	61.0
612.13617	7.3
655.35999	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	653.3908
Annotation	Filipin III
Peak:m/z	Relative Intensity
55.01778	0.9
56.98875	0.9
57.03333	1.4
58.00447	1.2
59.01252	13.7
61.98721	1.7
69.03326	3.9
71.01257	16.0
71.57703	1.7
72.99201	1.5
73.02835	3.4
75.42735	0.9
78.95788	4.7
83.01280	1.8
85.02837	6.6
87.05544	1.2
89.02322	6.1
93.03348	1.0
95.01279	1.3
95.51823	1.0
96.95917	1.2
97.02843	1.1
99.00768	1.1
99.05587	1.0
101.02317	9.7
113.02342	6.1
113.03409	1.1
119.03410	1.4
119.04935	2.3
121.02856	2.9
128.03453	3.8
133.01341	2.9
141.06665	1.0
151.07570	2.0
152.99506	2.2
161.04549	2.1
163.04001	1.2
169.01588	0.9
193.12274	10.0
194.12517	1.3
227.16594	1.3
232.07448	1.2
261.14883	2.6
263.16522	100.0
264.16870	5.2
272.09164	1.2
389.21838	23.1
390.22446	1.5
425.21933	7.6
454.56699	1.2
491.33899	2.6
617.37030	1.1
635.38544	6.0
653.39178	74.9
654.39526	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	653.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04447	0.6
52.99866	0.6
59.01255	3.2
63.00126	0.6
69.26666	0.5
71.01247	2.6
71.57526	0.8
72.99182	0.6
78.95790	3.2
80.76934	0.6
83.04867	0.7
85.02845	1.6
87.00770	1.0
89.02328	1.7
96.95880	1.0
96.96881	0.7
98.67079	0.7
101.02319	1.8
104.19679	0.7
113.02331	0.7
119.03486	1.0
131.25661	0.6
141.12738	2.1
143.05031	1.2
152.01082	1.0
152.99512	1.9
155.14397	0.7
183.13829	2.6
185.11769	5.1
187.04008	1.3
211.13345	2.3
213.14900	2.5
230.17656	1.1
231.15993	100.0
232.16319	5.3
404.22446	0.7
438.30508	0.6
491.28717	1.9
515.15057	0.8
587.05627	0.7
635.38373	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	653.375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.5
57.03312	1.5
58.00472	2.0
59.01250	40.4
61.98685	1.2
68.99679	0.5
69.03324	3.1
71.01251	40.6
72.01597	0.5
72.99183	3.2
73.02821	6.3
75.00733	0.9
78.95773	3.2
81.03324	1.8
83.01257	4.7
85.02817	9.2
85.99976	0.3
87.00750	8.2
89.02316	32.0
91.03889	0.7
92.93904	0.3
93.03329	0.3
95.01264	2.7
96.96864	0.3
97.02233	0.5
97.02829	6.1
99.00762	2.5
101.02322	30.9
102.02689	0.5
109.02818	0.7
111.00758	0.9
111.04391	1.4
113.02331	15.4
114.02646	0.5
115.03881	0.6
119.03385	10.1
119.04235	0.6
121.02802	0.8
123.04393	0.6
124.01566	0.5
125.02335	14.7
127.03883	0.4
129.01831	0.3
131.03372	1.4
133.04962	0.8
137.02290	0.5
139.03883	0.9
141.01813	0.7
143.03401	6.4
149.02348	0.5
149.04474	1.1
152.99524	1.8
157.08646	0.3
161.04485	6.6
167.03423	0.7
169.04900	0.3
171.10242	0.7
179.05544	6.6
203.05519	0.4
209.11804	0.4
217.07169	1.5
219.05064	0.3
221.06581	2.6
223.13316	1.1
225.11270	0.9
235.08189	13.7
236.08583	0.4
243.12363	0.5
245.06612	0.8
253.09285	3.5
255.23265	100.0
256.23630	6.6
263.07559	1.6
269.24811	0.9
277.09229	1.0
287.07681	3.6
293.21124	0.9
305.08801	4.0
309.20844	0.4
323.09787	1.7
359.12473	1.0
361.11508	0.6
377.13770	0.5
379.12335	1.0
397.13492	81.5
398.13913	5.8
415.14569	30.6
416.14990	2.0
429.20679	0.7
447.21249	0.5
653.35217	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	653.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.3
59.57381	0.2
61.34895	0.2
62.96282	0.4
71.12018	0.3
71.12342	0.2
78.95772	100.0
88.01673	0.2
96.51054	0.2
96.96837	0.2
103.71925	0.2
125.09594	0.6
148.99989	5.3
152.99481	1.2
179.01083	0.3
185.98212	0.2
187.09677	0.5
205.15910	2.6
225.11221	0.3
255.23210	1.0
277.21713	0.2
285.12582	3.9
355.16745	2.4
385.17645	0.9
391.22571	0.2
409.23880	0.2
417.12534	0.4
447.13364	5.4
448.13611	0.5
653.30029	44.8
654.30383	7.9
654.41650	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96227	0.3
55.01752	1.4
57.03313	0.9
57.69088	0.4
58.00469	2.4
59.01252	43.4
60.01590	0.6
60.24495	0.3
61.98718	0.5
68.31041	0.4
69.03327	2.3
69.33244	1.3
69.33662	2.2
71.01256	37.5
72.01591	0.4
72.99195	2.8
73.02824	6.7
75.00748	1.0
78.95763	0.9
81.03315	1.8
82.81543	0.3
83.01259	4.7
85.02345	0.5
85.02829	7.7
87.00759	9.2
87.04383	0.4
89.02319	36.6
91.03889	0.7
95.01256	2.9
97.02831	6.4
99.00759	2.3
101.02323	31.6
102.02680	0.4
103.03890	0.5
109.02845	0.5
111.00713	0.4
111.04402	1.4
113.02330	15.3
115.03887	1.2
119.02565	0.8
119.03391	10.4
120.03728	0.4
121.02869	0.5
123.04398	0.4
124.01577	0.5
125.01439	0.8
125.02341	13.4
126.02687	0.7
127.03881	0.4
130.59012	0.3
131.03401	1.4
133.04932	1.2
139.00276	0.4
139.03922	1.0
141.01845	0.7
143.03394	7.3
149.04454	1.4
152.99510	0.4
161.04460	6.5
167.03410	0.6
169.04947	0.6
179.05522	7.2
185.04462	0.7
199.05992	0.4
203.05539	0.6
217.07063	1.2
221.06606	2.5
235.08217	14.3
236.08598	0.4
245.06631	0.7
253.09251	3.2
255.23280	100.0
256.23599	7.7
263.07712	1.2
269.24881	0.9
277.09396	0.7
277.21588	0.4
287.07697	3.2
305.08737	3.7
306.09039	0.6
323.09735	1.8
361.11365	0.4
379.12381	1.2
397.13501	81.0
398.13922	6.9
415.14563	31.9
416.14865	2.3
653.38660	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00034	0.3
62.96267	0.5
69.29315	3.8
78.95779	100.0
80.23438	0.3
96.96857	1.0
98.19776	0.7
105.98355	0.3
149.00021	5.5
152.99493	1.3
161.49567	0.3
161.92468	0.3
170.60362	0.3
171.10092	0.4
205.15948	2.6
255.23274	2.3
285.12634	3.3
328.56519	0.4
339.13873	0.4
355.16812	1.9
385.17798	1.1
391.22937	0.3
417.12305	0.4
427.34143	0.4
447.13461	5.6
448.13498	0.5
563.33099	0.4
628.76141	0.4
653.30115	50.2
654.30420	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	653.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	21.3
59.01250	17.3
59.01522	1.1
61.98724	2.9
71.01250	7.1
71.57318	1.2
71.57720	1.3
72.99207	1.3
73.02843	3.1
75.00772	3.2
78.95802	1.3
81.03364	0.9
83.01270	1.0
85.02826	5.5
87.00785	1.0
88.98714	1.2
89.02315	3.5
92.19175	0.7
93.03352	0.8
94.99709	0.7
96.95908	2.4
97.24926	0.7
99.00713	0.8
99.04390	22.3
101.02320	8.0
107.04899	1.8
111.00797	1.6
113.02338	3.8
119.03426	1.2
121.06486	2.2
122.03625	0.9
123.04441	1.3
125.02338	8.1
131.08588	0.7
133.04973	2.2
135.04413	46.6
135.08026	1.1
136.05176	1.6
137.02342	1.0
141.79660	0.7
143.03366	1.7
148.05182	0.8
149.05942	1.0
160.05133	1.1
161.04482	11.3
171.10216	2.2
174.06743	4.8
175.07600	6.1
176.08328	10.7
176.27675	0.7
179.05508	3.9
188.08293	1.3
189.09131	5.2
191.01941	0.8
191.10661	1.3
196.00424	0.7
203.05573	2.2
209.02972	1.2
209.11812	3.0
225.11284	1.9
228.07834	0.9
244.14647	100.0
245.14955	5.8
259.17017	9.6
260.17487	1.0
263.07712	5.3
268.20590	0.8
270.12704	4.3
285.14835	1.6
288.13690	2.1
303.16006	18.3
304.16373	1.2
305.08780	14.2
323.09869	7.6
328.05914	0.9
329.10010	1.0
329.13937	16.5
330.14349	1.7
347.14978	40.0
348.15305	4.6
397.14487	0.8
449.15811	1.6
491.19040	1.2
491.30112	0.9
509.20221	8.0
551.21484	5.7
552.21521	1.0
591.24103	2.4
591.33337	0.9
635.31274	1.3
653.24121	27.7
653.33704	3.1
654.24902	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	653.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21097	0.8
52.09019	0.8
55.01155	0.8
57.03325	2.1
57.34617	0.9
59.01252	5.2
68.99673	2.1
69.03306	1.6
71.01250	5.5
71.57714	1.1
72.99196	1.4
73.02811	1.1
73.24149	0.9
74.02314	1.0
75.00742	1.7
78.95789	1.0
81.03320	6.3
83.01269	6.4
85.02816	7.4
88.78767	0.9
89.02307	1.7
91.89441	0.8
93.03335	18.3
95.01261	2.0
95.04907	2.2
96.95881	3.0
97.02831	3.2
99.04415	1.8
101.02326	2.0
106.04150	1.0
107.04900	2.2
108.02039	1.4
109.02817	2.8
111.00723	2.1
111.04410	1.4
113.02349	2.8
113.09625	1.8
115.07522	5.1
119.04916	2.2
121.02823	3.5
121.06458	1.9
123.00779	1.5
123.04447	6.0
123.10113	0.9
125.02364	5.8
128.03424	1.3
131.04877	0.9
133.02835	1.1
133.04977	2.4
133.06442	1.1
135.04425	3.7
137.02333	3.3
137.05963	1.8
137.09651	1.1
139.03903	1.1
139.07532	11.4
143.04659	1.0
145.02818	1.2
147.04405	2.2
149.02374	1.5
149.09645	1.7
151.03891	2.3
159.04491	1.4
160.05211	1.3
161.05997	3.8
163.03937	2.1
165.05467	2.7
166.02586	2.0
167.03409	4.8
170.00336	1.1
175.07510	1.2
177.09114	1.3
179.03406	3.8
179.10649	5.2
180.04178	3.9
181.08653	1.2
185.05974	1.4
187.03979	1.0
187.07558	2.2
189.05513	9.0
191.01891	2.2
191.03435	1.4
191.10637	1.9
193.12253	2.3
195.10213	6.5
197.11731	0.9
201.05508	1.2
207.10149	2.1
209.02913	1.9
209.04532	5.4
213.05492	1.1
217.12234	1.2
219.10217	5.4
221.08195	4.2
221.11751	1.4
223.09714	11.8
224.09990	1.0
227.07083	1.4
229.08705	1.0
231.06612	1.4
233.11795	1.4
235.09750	1.8
236.10521	2.8
237.11320	2.0
239.05524	3.1
241.08549	1.8
245.11703	2.0
247.09770	1.6
249.07477	0.9
249.11235	6.1
250.12080	8.6
251.09296	1.4
262.12012	2.0
263.09348	1.2
263.12891	2.7
264.09940	1.8
265.10800	10.1
272.08987	1.9
273.07373	1.1
277.10797	10.6
278.11536	3.4
285.14954	1.3
291.12195	1.3
293.10358	12.4
294.10532	1.4
295.11835	1.4
305.10403	1.8
306.11026	3.1
307.11847	12.1
323.11353	2.1
337.09106	1.2
337.12814	7.3
341.13858	2.1
342.14911	2.0
367.14059	1.3
373.24973	1.4
397.14835	1.4
413.15237	1.3
427.15891	2.0
451.16794	1.1
533.20270	100.0
534.20648	13.2
563.21576	4.3
635.23907	1.1
653.24469	99.0
654.24792	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2455
Annotation	PdOEPK
Peak:m/z	Relative Intensity
50.21097	0.8
52.09019	0.8
55.01155	0.8
57.03325	2.1
57.34617	0.9
59.01252	5.2
68.99673	2.1
69.03306	1.6
71.01250	5.5
71.57714	1.1
72.99196	1.4
73.02811	1.1
73.24149	0.9
74.02314	1.0
75.00742	1.7
78.95789	1.0
81.03320	6.3
83.01269	6.4
85.02816	7.4
88.78767	0.9
89.02307	1.7
91.89441	0.8
93.03335	18.3
95.01261	2.0
95.04907	2.2
96.95881	3.0
97.02831	3.2
99.04415	1.8
101.02326	2.0
106.04150	1.0
107.04900	2.2
108.02039	1.4
109.02817	2.8
111.00723	2.1
111.04410	1.4
113.02349	2.8
113.09625	1.8
115.07522	5.1
119.04916	2.2
121.02823	3.5
121.06458	1.9
123.00779	1.5
123.04447	6.0
123.10113	0.9
125.02364	5.8
128.03424	1.3
131.04877	0.9
133.02835	1.1
133.04977	2.4
133.06442	1.1
135.04425	3.7
137.02333	3.3
137.05963	1.8
137.09651	1.1
139.03903	1.1
139.07532	11.4
143.04659	1.0
145.02818	1.2
147.04405	2.2
149.02374	1.5
149.09645	1.7
151.03891	2.3
159.04491	1.4
160.05211	1.3
161.05997	3.8
163.03937	2.1
165.05467	2.7
166.02586	2.0
167.03409	4.8
170.00336	1.1
175.07510	1.2
177.09114	1.3
179.03406	3.8
179.10649	5.2
180.04178	3.9
181.08653	1.2
185.05974	1.4
187.03979	1.0
187.07558	2.2
189.05513	9.0
191.01891	2.2
191.03435	1.4
191.10637	1.9
193.12253	2.3
195.10213	6.5
197.11731	0.9
201.05508	1.2
207.10149	2.1
209.02913	1.9
209.04532	5.4
213.05492	1.1
217.12234	1.2
219.10217	5.4
221.08195	4.2
221.11751	1.4
223.09714	11.8
224.09990	1.0
227.07083	1.4
229.08705	1.0
231.06612	1.4
233.11795	1.4
235.09750	1.8
236.10521	2.8
237.11320	2.0
239.05524	3.1
241.08549	1.8
245.11703	2.0
247.09770	1.6
249.07477	0.9
249.11235	6.1
250.12080	8.6
251.09296	1.4
262.12012	2.0
263.09348	1.2
263.12891	2.7
264.09940	1.8
265.10800	10.1
272.08987	1.9
273.07373	1.1
277.10797	10.6
278.11536	3.4
285.14954	1.3
291.12195	1.3
293.10358	12.4
294.10532	1.4
295.11835	1.4
305.10403	1.8
306.11026	3.1
307.11847	12.1
323.11353	2.1
337.09106	1.2
337.12814	7.3
341.13858	2.1
342.14911	2.0
367.14059	1.3
373.24973	1.4
397.14835	1.4
413.15237	1.3
427.15891	2.0
451.16794	1.1
533.20270	100.0
534.20648	13.2
563.21576	4.3
635.23907	1.1
653.24469	99.0
654.24792	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84784	1.5
55.41457	1.4
57.03311	2.0
58.40276	1.4
59.01247	9.0
71.01255	6.2
71.57404	2.2
71.57754	2.0
73.02805	2.2
75.00762	3.2
78.95780	2.2
85.02830	10.0
89.02296	1.6
93.03342	14.4
96.95878	8.2
98.80254	1.4
101.02325	4.6
106.06553	1.7
113.02335	2.5
121.02853	1.8
123.04420	5.5
127.82853	1.5
133.02878	3.0
134.06029	1.6
135.04375	2.5
138.66428	1.6
145.02977	1.7
171.04486	2.8
171.10170	8.4
173.00787	2.0
183.04358	2.0
191.01878	4.1
207.10097	2.4
209.02991	2.6
209.11746	7.7
211.03880	1.7
211.13506	2.1
225.11240	2.1
227.12823	1.9
239.03539	2.0
240.04205	2.3
241.04901	2.1
253.09525	1.8
255.03137	3.9
255.06441	1.7
257.04535	3.1
267.03030	4.0
268.03735	9.4
278.65686	1.6
279.07437	1.7
283.06168	6.0
289.08704	2.8
295.10904	2.3
311.05588	6.8
317.08279	3.3
321.08673	3.0
329.23520	2.2
333.07623	22.4
334.07788	2.3
339.09695	2.0
339.13452	2.8
361.02493	1.6
361.03662	1.0
361.07147	56.0
362.07764	11.8
389.06638	96.9
390.07291	22.1
404.08981	46.9
405.09750	100.0
406.10095	11.1
417.22549	2.0
489.25986	1.8
516.13843	3.3
609.16107	65.2
610.16467	9.9
635.30670	3.6
653.31177	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	651.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.8
71.57507	0.8
75.01482	0.9
78.95779	3.8
111.08022	1.5
119.13019	0.7
152.99521	1.9
174.15572	0.8
175.07277	0.7
187.09660	1.9
189.19421	0.7
255.23387	2.4
256.23541	1.0
299.20163	100.0
300.20551	8.0
337.34503	0.8
534.18079	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	3.0
69.44908	4.7
69.45321	2.1
71.01245	1.8
73.02826	0.9
82.91384	0.9
89.02264	1.4
93.03332	19.7
96.95859	1.6
113.02287	1.0
117.03471	0.9
123.04374	1.5
126.99452	1.1
133.02867	1.7
141.98615	0.8
145.02823	2.3
171.04391	1.4
171.10223	1.3
191.01926	0.9
209.11519	1.0
211.03961	1.3
211.13481	1.0
212.04733	2.5
220.49335	0.9
227.03441	3.8
228.04185	4.0
239.03416	2.2
240.04100	2.2
252.04059	1.2
255.02998	2.6
255.06580	2.3
256.03598	1.2
257.04596	1.8
267.02927	4.4
267.06677	1.5
268.03693	8.8
269.04233	2.3
271.06073	16.1
272.06622	0.9
283.06049	7.9
289.08771	1.4
295.02048	1.2
297.04010	1.3
324.70605	1.0
333.07657	14.7
334.08057	1.4
345.07611	1.4
361.07104	23.5
362.07730	3.5
377.10385	4.2
389.06644	66.3
390.07230	21.5
404.08957	31.0
405.09763	100.0
406.10126	12.4
609.16113	59.5
610.16498	9.0
653.31409	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	651.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	3.6
55.40380	1.7
56.64552	1.8
57.03329	2.9
57.63887	1.9
57.67193	2.0
59.01252	51.3
61.98675	1.8
64.88587	1.8
70.73728	1.9
71.01253	47.5
71.04890	3.0
71.57323	1.8
71.57671	2.7
72.99149	3.2
73.02795	4.6
77.96095	2.1
78.95786	11.5
83.01267	6.2
85.02812	19.4
87.00746	1.9
89.01813	3.4
89.02319	32.9
95.01238	3.9
96.95871	2.5
99.00727	2.3
101.02319	32.1
107.04856	2.5
108.26949	1.9
113.02325	13.6
119.03387	15.0
139.20044	2.1
143.03409	3.7
152.99475	7.0
161.04448	7.3
171.10120	2.3
179.05524	7.7
211.16966	9.1
213.12796	2.6
223.20700	5.3
226.68840	2.3
231.13867	4.1
277.14526	3.4
307.18533	2.2
341.10535	3.5
413.21704	4.2
427.31998	3.8
439.19724	16.0
445.33340	2.5
457.09198	2.0
607.38019	7.5
633.37366	3.3
651.37463	100.0
652.38428	10.9
654.57233	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	651.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43340	0.7
59.01252	100.0
60.01590	1.3
61.32075	0.8
69.70425	4.7
71.01247	2.6
78.95782	6.5
82.34105	0.9
85.02848	0.8
95.00448	0.7
98.19924	1.7
101.30046	0.6
103.12418	0.8
152.99487	2.5
161.04474	1.9
164.47357	0.8
211.18094	0.8
255.23262	1.9
277.21667	1.0
591.42377	2.3
651.36810	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.3
57.03315	1.8
58.00462	3.1
59.01257	43.2
69.03332	2.2
69.61050	8.8
71.01257	44.8
71.04908	1.7
72.99189	5.1
73.02821	6.8
78.95774	7.0
83.01260	6.1
83.04870	1.6
85.02831	15.6
87.00749	2.4
87.25659	1.6
89.02322	30.7
95.01263	3.5
96.95901	3.2
96.96878	1.6
99.00745	2.7
101.02325	29.0
107.04923	3.9
107.25555	1.3
113.02335	21.0
119.03402	14.1
130.41252	1.5
143.03407	3.8
149.04358	2.5
151.03937	2.5
152.99516	4.3
154.53398	1.4
159.02951	2.1
161.04459	6.8
166.19472	1.4
171.10127	2.3
179.05536	6.9
193.15901	3.6
195.17700	1.5
211.17004	11.6
213.12683	2.3
223.20662	4.4
231.13841	2.8
249.14909	2.5
277.14493	6.2
309.20694	5.6
313.23749	4.1
314.24200	4.2
341.10892	14.4
393.18936	2.6
413.21439	2.6
427.32080	1.7
439.19742	16.3
440.20212	3.0
445.33325	3.5
472.35413	2.2
607.38416	9.1
633.36499	3.6
637.27203	1.7
651.37482	100.0
652.37842	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	651.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.0
58.20559	0.8
59.01252	11.6
62.88223	0.7
65.14798	0.8
69.23582	5.6
69.24005	2.7
71.01260	4.7
72.99175	9.2
75.00745	100.0
76.01077	1.5
83.01283	1.2
85.02824	2.5
87.00766	1.4
89.02312	1.7
96.95869	2.5
101.02292	2.1
106.43993	0.8
110.06814	0.7
112.30795	0.9
113.02348	1.2
115.03928	1.3
116.15392	0.7
129.73711	0.7
133.04959	60.2
134.05318	1.1
147.06549	1.1
168.34869	0.7
171.10156	2.1
179.71875	0.8
231.14867	0.8
253.18066	2.1
260.91321	0.8
261.89130	0.8
269.21268	2.0
278.12372	0.9
287.22281	4.1
327.33521	1.0
374.76306	0.8
431.26318	3.8
449.27499	3.5
473.27539	2.6
474.28491	1.0
489.26816	2.2
491.28741	3.5
505.58502	1.0
507.27972	4.4
549.29144	35.1
550.29449	5.3
565.31732	1.2
568.17542	0.9
607.33362	22.0
607.47754	0.9
608.33563	3.4
633.31238	1.4
651.40289	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	1.1
59.01252	8.5
68.90063	0.3
69.95763	0.3
71.01269	2.0
72.99184	13.2
73.02831	1.1
74.02348	0.6
75.00745	15.5
78.95782	0.5
79.95637	0.6
80.67528	0.4
83.01276	1.5
83.04925	0.8
85.02811	3.5
87.00746	3.3
88.98689	1.5
89.02326	0.7
94.26318	0.4
96.00790	2.2
96.95891	8.7
97.06448	2.2
98.02328	0.9
99.04388	0.5
99.05500	0.7
101.02335	1.6
104.03381	0.7
105.01857	0.5
107.04916	2.2
111.00765	1.1
113.02319	0.5
119.03474	0.4
120.05719	0.8
123.04429	1.3
123.08015	0.9
125.09615	8.7
128.03410	0.5
133.04961	100.0
134.05269	2.8
135.04407	1.1
141.06529	0.7
152.04654	0.5
153.05521	0.7
161.09628	5.7
161.13295	1.9
162.87474	0.4
163.11186	0.5
170.07294	0.4
171.10159	0.7
174.06848	0.6
184.81981	0.4
187.09642	5.7
187.11206	7.6
188.11603	0.5
189.06982	0.6
189.09123	3.8
191.01894	1.3
201.11249	3.0
203.10722	0.8
205.12233	3.0
207.10191	0.9
209.02884	1.3
209.11736	2.8
211.13367	0.6
211.37581	0.4
223.13316	1.1
231.10181	0.5
243.02666	0.4
249.11253	4.0
253.09276	0.9
267.12433	3.3
327.21884	0.5
351.14258	0.5
411.16620	4.3
412.16953	0.6
423.18552	1.0
441.86334	0.5
444.17444	1.5
593.22455	0.8
607.29596	4.0
633.31409	7.0
634.24017	2.5
651.26270	21.0
652.26569	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	651.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51423	0.2
56.13716	0.2
59.01242	0.5
63.02277	0.3
65.00185	0.7
65.79176	0.2
66.32738	0.2
71.01247	0.4
75.69630	0.2
83.01257	0.5
85.02813	0.4
89.02306	0.3
90.29810	0.2
107.01273	1.6
108.02056	1.3
109.02845	0.3
118.46090	0.2
120.68290	0.2
121.02829	0.3
124.01608	0.3
134.02357	0.2
135.00757	0.4
136.01517	0.2
147.00900	0.2
148.01546	1.4
151.00267	4.1
152.00928	0.2
158.37299	0.2
163.00232	0.7
164.01056	0.5
169.01320	0.6
175.03943	0.2
178.99779	2.8
180.00180	0.3
183.04405	0.3
187.03850	0.3
187.17082	0.2
192.00563	0.3
197.02538	0.2
199.03928	0.9
200.04759	0.2
203.03595	0.2
207.78688	0.2
211.04057	0.4
214.02434	0.2
215.03447	0.7
216.04222	0.8
226.02678	1.7
227.03473	3.1
228.03769	0.3
229.01399	0.2
242.02016	0.2
243.02946	10.6
244.03442	1.0
254.02200	2.4
255.02956	26.1
256.03308	1.8
271.02460	60.9
272.02869	5.3
273.03723	0.3
283.02283	0.4
298.03781	0.4
299.01956	2.1
300.02728	100.0
301.03223	10.6
302.03589	0.4
325.02286	1.1
326.03049	4.6
343.03540	0.7
344.04333	0.4
489.10199	0.3
505.09995	0.4
591.13470	0.6
609.14740	1.3
610.14679	0.3
651.15625	42.1
652.15863	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	649.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.9
59.01252	100.0
60.01581	1.4
65.21356	0.8
69.94690	3.3
71.01260	4.4
73.02824	1.8
77.46487	0.8
78.94181	0.9
78.95773	2.9
84.20216	0.8
85.02836	2.0
101.02336	3.9
113.02312	2.0
116.75327	0.8
119.77660	0.7
152.99438	1.5
161.04550	1.0
187.09750	0.9
255.23384	1.9
359.43127	1.0
427.35678	1.6
449.48541	1.0
589.41168	19.6
590.41449	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	650.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44826	2.5
58.74968	2.4
59.01244	5.3
65.99701	3.0
68.06819	3.2
71.01259	4.0
71.58041	4.6
73.02827	2.9
73.74930	2.5
75.00723	3.2
83.01225	4.3
85.02829	9.0
87.00735	3.7
93.03326	6.8
96.95876	8.5
97.94671	3.0
101.02274	3.3
107.01260	8.5
109.02859	4.4
111.00807	5.8
121.02856	3.7
123.00771	4.0
125.02317	4.3
128.03427	3.9
133.04984	2.7
134.02370	6.5
135.00835	3.6
137.02341	16.9
139.00255	3.6
149.02357	5.1
151.00293	33.7
151.03790	2.7
151.34679	2.8
152.00986	3.7
159.04411	2.7
162.01845	17.2
163.00256	6.2
164.03444	19.5
169.01314	4.4
177.01880	18.5
178.99831	18.3
186.01895	16.2
189.05595	2.8
190.01370	10.1
191.01851	5.3
193.01367	7.8
202.99715	3.6
204.02914	20.8
209.02835	3.1
211.03896	3.7
213.05301	2.9
227.03462	18.6
229.05016	6.0
239.03409	4.7
243.02977	6.1
245.04631	2.6
250.04959	3.7
255.02951	31.8
256.03467	6.2
257.04556	5.1
266.04556	6.8
267.02933	4.4
267.68369	3.1
268.03629	3.4
269.04578	22.6
270.04083	5.3
271.02368	15.3
278.04562	4.3
279.03003	10.5
283.02576	15.1
284.03238	15.6
284.05762	2.7
285.04031	16.3
294.04071	5.4
295.04904	5.9
297.04016	12.5
299.04788	3.7
300.02612	24.2
301.03561	40.5
306.04028	21.6
306.07370	6.7
308.06189	2.7
312.05301	2.9
313.62814	3.6
323.04297	30.2
324.05127	79.3
325.05356	6.0
341.05386	27.5
342.06171	15.0
342.09875	3.5
343.95810	2.8
372.86316	3.0
377.03827	2.9
447.09024	4.4
485.12921	7.3
530.15210	13.4
556.13342	5.1
593.15387	5.1
609.14667	9.5
632.16229	44.9
633.16650	7.3
650.17249	100.0
651.16357	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	649.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45173	2.2
54.86934	2.7
56.23459	2.1
58.66757	2.4
59.01250	100.0
60.01584	2.6
71.58145	4.1
78.95771	7.6
82.63715	2.3
101.02365	3.2
152.99515	5.0
250.19736	2.1
255.23239	3.1
649.37524	3.1
659.61407	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01230	1.2
61.98722	0.7
68.02413	1.1
71.01206	0.8
71.57967	1.6
78.95785	1.1
88.90887	0.8
95.08353	0.7
95.12823	0.7
114.39829	0.7
117.03348	0.7
121.02821	0.8
133.02856	25.7
134.03688	6.0
135.04436	9.4
137.02341	5.7
139.03941	1.6
150.03078	0.8
161.02361	57.7
162.02682	2.1
178.02556	1.2
179.03482	4.6
214.26085	0.7
227.03122	0.8
236.94421	0.7
325.18500	0.8
583.64117	0.8
589.35339	3.2
613.35370	2.8
628.47717	1.0
631.36346	20.4
632.36310	4.3
649.37427	100.0
650.37811	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.7
61.98694	0.8
69.85452	1.7
70.71172	0.3
85.02818	0.3
93.03358	0.5
96.95888	0.5
98.19865	0.5
105.03298	0.4
106.04111	0.6
111.00676	0.3
117.03351	0.7
121.02860	1.0
122.25192	0.3
132.02040	1.1
133.02850	22.2
134.03650	6.7
135.04425	8.6
137.01373	0.4
137.02344	4.7
139.03883	1.5
146.93285	0.3
148.05186	0.5
150.03163	0.4
159.83244	0.3
160.55626	0.3
161.02348	50.9
161.52914	0.3
162.02716	1.9
163.03914	0.4
171.10109	0.6
178.02641	1.6
179.03415	3.4
179.55084	0.3
183.01187	0.3
295.23621	0.3
303.23846	0.3
333.20395	0.6
391.00809	0.3
544.02917	0.3
568.43842	0.4
589.35175	3.4
590.35370	0.7
603.36584	0.4
607.70319	0.3
613.35046	2.6
614.35730	0.4
631.36383	21.4
632.36780	4.1
649.37439	100.0
650.37781	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	649.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67698	0.6
59.01252	17.0
70.37737	2.1
71.01257	12.3
72.99194	0.8
73.02824	1.9
78.95776	1.9
83.01249	1.6
85.02828	3.8
87.00774	1.1
89.01817	1.0
89.02321	9.4
95.01302	0.6
98.19792	0.7
99.00759	0.7
101.02332	8.8
113.02323	4.0
119.03400	2.7
125.02291	0.9
131.03386	0.7
150.03983	0.6
161.04291	0.6
193.15936	0.7
202.06435	0.7
209.15419	0.7
211.17020	0.7
223.07657	1.1
226.06348	1.0
240.07893	1.1
241.08701	13.6
242.09155	1.0
247.13358	1.8
249.82649	0.6
256.11066	1.7
257.11795	3.9
275.12952	12.4
276.13068	0.9
299.30453	0.7
303.12405	0.7
389.74344	0.6
409.18732	2.0
424.99255	0.7
425.30789	0.7
436.17392	100.0
437.18076	42.1
437.24445	1.1
438.18454	3.3
443.31476	1.0
469.29657	3.8
470.29691	0.9
605.37018	22.8
606.37750	4.3
649.35919	16.8
649.46051	1.1
650.36084	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	649.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	2.1
56.83553	0.8
57.03320	0.9
58.00469	2.0
59.00952	1.9
59.01252	39.7
66.49888	0.9
69.03342	2.5
69.88341	3.6
71.01257	39.8
72.99191	4.2
73.02822	6.6
75.00732	1.4
78.95780	3.9
79.81413	0.8
81.03328	1.1
83.01260	5.0
83.04933	1.4
85.02829	9.2
87.00754	8.6
88.03085	0.9
89.02321	32.5
95.01258	2.1
96.95906	1.0
97.02842	6.4
99.00789	2.8
101.02324	31.2
113.02338	15.3
114.73974	1.0
119.03385	12.1
121.06466	0.9
125.02341	12.4
127.28983	1.1
131.03421	2.1
143.03404	5.9
152.99503	1.0
161.04494	8.9
171.10127	1.1
179.05556	7.1
188.29829	0.9
190.48955	0.8
203.05591	0.8
217.07086	1.2
221.06648	2.7
235.08191	17.0
235.13301	1.0
245.06616	1.1
250.86427	1.0
251.20142	100.0
252.20450	7.4
253.09235	4.6
263.07782	1.9
277.17044	0.9
287.07794	2.4
305.08765	3.4
323.09647	1.2
397.13492	73.1
398.13928	5.3
415.14566	29.5
416.15143	1.4
590.69647	0.9
605.36621	1.1
649.36035	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	649.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38336	2.0
59.01251	19.0
61.98652	2.0
69.36588	20.1
71.01238	7.7
72.99233	1.9
73.02825	7.5
76.65163	2.0
78.40290	2.0
78.95766	8.3
82.39177	2.1
83.01268	2.3
85.02849	2.3
89.02327	4.1
93.03342	16.1
96.95886	3.5
98.19779	4.0
101.02311	7.0
108.02057	3.6
113.02289	2.8
119.04925	5.8
121.02846	70.4
128.03470	2.4
130.04118	7.0
131.04922	17.2
133.06505	2.3
134.03661	2.2
135.04417	4.8
136.01527	9.7
137.02315	5.0
143.04880	2.2
145.06526	3.3
147.04405	2.0
149.05986	5.6
152.14999	1.9
152.99480	6.3
161.04535	2.4
165.05499	2.6
183.49504	2.1
186.21686	2.0
223.07637	2.5
235.07402	2.1
237.09296	5.1
247.07512	5.1
249.09235	4.3
259.07761	4.1
260.08356	9.3
261.09235	3.4
267.10202	13.1
269.08176	54.8
270.08600	3.6
273.09204	4.1
274.09988	2.3
275.10776	2.6
278.09506	7.1
279.10266	3.6
291.10098	3.1
292.11066	2.2
293.11832	15.1
295.09869	3.3
297.11328	5.2
303.10327	3.3
321.11310	31.2
322.11639	3.6
367.13440	6.7
379.13239	14.4
381.14804	5.0
391.13043	3.2
397.14389	48.7
398.14667	6.6
399.70840	2.3
409.14474	33.7
415.15506	4.7
427.10034	4.0
427.15491	45.3
428.15930	5.0
445.16574	100.0
446.16913	8.9
631.22052	3.0
631.34442	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	649.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00445	0.5
59.01250	31.0
62.64454	0.4
64.38140	0.4
69.03307	0.8
71.01252	22.4
71.36194	0.5
71.36539	0.7
72.99201	0.8
73.02818	26.7
75.00739	0.9
82.53489	0.4
83.01258	7.8
85.02845	2.3
89.02322	3.6
95.01279	0.6
96.95906	0.8
99.00764	0.6
101.02319	19.7
102.02619	0.7
113.02323	5.4
115.03883	2.9
119.03398	1.4
123.04415	7.4
125.02332	0.7
131.03349	1.7
133.04964	1.7
136.37297	0.4
143.03404	1.4
149.04449	1.3
155.03369	0.8
161.04417	3.4
171.69949	0.4
179.05373	0.5
216.14290	0.6
221.06578	0.6
266.70013	0.5
277.09332	0.6
295.10327	6.8
337.11392	100.0
338.11752	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	647.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
69.15083	2.3
71.01250	5.9
71.57710	3.7
71.58071	2.2
72.73110	2.1
78.95770	3.5
81.95962	2.5
83.01273	2.4
89.02313	3.2
101.02314	5.2
101.55537	1.9
107.32256	2.5
108.32807	2.4
152.99384	2.6
164.61739	2.0
176.12425	2.2
202.72258	2.2
320.71777	2.4
477.84885	2.3
486.59219	2.2
552.94983	2.2
587.40051	10.8
588.40131	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89282	1.0
57.03319	1.0
59.01247	9.7
68.02396	1.0
71.01243	7.0
71.57880	1.3
72.99175	1.9
73.02805	1.3
75.00738	2.3
78.95786	1.9
83.01260	1.5
83.04913	2.0
85.02829	11.9
87.00760	4.3
89.02332	4.8
90.13324	1.0
93.03304	1.3
96.95892	4.4
97.02818	1.5
101.02331	4.1
102.05498	2.9
103.57753	1.1
109.02851	3.3
111.96240	1.0
113.02332	3.4
119.03339	1.7
121.02861	2.8
122.06075	1.1
125.09595	1.9
127.11153	1.5
128.03442	1.2
133.04961	3.1
149.02263	1.4
151.00319	1.3
161.04373	1.2
163.00337	1.3
165.01860	12.7
171.10219	8.5
180.83987	1.1
186.15994	1.1
191.01918	3.6
193.01413	3.4
199.03944	3.8
201.01924	1.3
201.11249	20.5
202.11594	10.0
203.11830	1.4
209.03008	3.6
209.11757	18.3
209.13533	1.8
210.12086	11.4
211.17741	1.0
215.03365	1.8
215.12956	1.7
226.02821	1.2
227.03456	3.8
227.12766	2.2
228.13228	1.9
233.34314	1.0
242.02206	1.1
243.02995	6.5
253.09279	5.8
254.02121	3.0
254.09692	1.7
255.03069	2.6
260.80167	1.0
269.04605	1.9
270.01666	1.2
270.99390	1.2
271.02481	68.7
272.02954	5.5
285.04034	3.9
299.01956	100.0
300.02594	17.4
313.03580	1.9
314.04315	94.8
315.05063	59.4
315.08929	1.5
316.05368	3.9
501.10162	5.4
519.11444	9.9
545.29932	1.9
561.12469	59.7
562.12769	8.4
563.30664	1.9
649.29950	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	647.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
66.40664	2.6
69.55882	20.9
71.01237	7.7
78.95773	7.4
84.85246	2.6
89.02329	7.2
98.19798	4.7
101.02320	7.8
119.03348	4.4
152.99471	4.0
199.80931	2.7
397.57144	2.7
587.39539	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	647.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90414	1.0
55.01756	2.8
57.03323	2.9
58.00459	2.4
59.01253	46.7
60.88004	0.9
69.03331	1.4
71.01256	53.4
71.58380	1.8
72.99192	3.7
73.02820	8.2
76.10432	1.2
78.95782	10.9
83.01268	6.3
85.02824	20.7
87.00764	3.6
89.02316	34.0
95.01271	4.4
96.95873	12.5
96.96851	1.7
99.00745	3.6
101.01697	2.2
101.02325	31.6
111.00726	1.8
113.02338	20.0
113.42160	1.0
115.38599	1.2
119.03394	14.6
125.02327	1.6
129.01833	3.3
131.03444	1.8
139.76427	1.2
143.03377	3.3
147.04399	1.3
152.99495	4.2
159.02921	2.4
161.04463	10.6
163.03928	1.8
163.14531	1.1
175.65192	1.4
179.05551	6.6
199.74106	1.1
221.21397	1.1
231.13786	1.6
249.14999	8.1
253.08806	1.6
267.60815	1.3
338.33157	1.3
397.13693	5.4
415.14673	2.6
485.31219	25.2
486.31396	3.4
647.36505	100.0
648.37329	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	647.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02666	0.8
57.03329	1.3
58.00470	1.4
59.00991	1.3
59.01258	17.4
64.49020	0.8
67.14100	0.8
71.01262	17.8
71.57520	1.1
72.99176	1.5
73.02811	1.0
78.95779	2.5
83.01270	2.3
85.02825	3.1
89.02317	9.1
95.01266	1.7
97.21106	0.8
101.02333	9.0
101.02938	1.4
113.02328	4.5
118.27087	0.8
119.03398	3.1
124.64149	0.9
125.02383	0.9
157.08585	1.6
177.09096	1.5
179.06837	3.5
192.11472	3.4
193.08368	0.9
205.12343	1.9
209.07898	3.1
209.15536	1.1
220.14648	20.5
221.15422	42.5
222.15775	2.0
222.32237	0.9
226.06404	1.4
235.08203	1.7
236.10518	42.0
236.12926	2.1
237.10905	1.9
241.08710	13.8
242.09085	1.6
247.13182	1.2
249.18639	4.7
256.11105	1.5
257.11755	5.8
275.12906	16.8
276.13150	1.0
293.17596	19.8
294.17899	1.6
331.24994	7.2
345.96713	0.9
353.23108	5.7
371.36038	0.9
390.81940	0.9
397.13568	3.7
415.14417	2.2
436.17404	100.0
437.18085	48.5
438.18466	4.8
450.25543	0.9
467.28223	4.2
603.35474	19.0
604.35748	3.8
647.33990	10.5
647.41681	9.1
648.33984	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	647.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	3.8
57.03325	3.8
58.00432	2.2
59.01251	100.0
71.01257	58.7
71.57671	2.2
71.58022	1.7
72.99179	6.0
73.02828	13.2
78.95798	3.5
83.01267	8.0
85.02826	37.4
87.00748	5.6
89.02325	28.2
93.03329	4.2
95.01247	5.5
96.95905	5.4
97.02834	3.2
99.00748	6.4
101.02319	31.3
111.00758	4.0
113.02348	32.1
119.03357	10.0
122.06036	2.1
124.01556	1.9
125.02330	4.4
129.01781	2.6
133.04922	2.6
143.03384	5.6
159.02908	2.5
161.04485	11.7
168.79483	1.9
171.10138	3.9
178.40759	1.9
179.05486	7.3
191.01872	5.1
201.11237	7.4
209.02922	6.5
209.11755	6.3
211.13263	2.7
227.12814	4.7
253.09373	3.5
265.09436	2.9
271.02225	1.8
287.13904	6.7
381.22681	3.7
399.24039	10.2
543.28125	78.6
544.28595	11.8
561.29187	57.5
562.29388	8.5
603.29883	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	647.2457
Annotation	Lyngbyaloside B
Peak:m/z	Relative Intensity
57.03308	1.0
58.80952	0.7
59.01251	4.4
62.29862	0.7
69.54659	1.4
69.55067	4.3
70.45863	0.7
71.01254	5.5
73.02818	1.7
74.34441	0.7
81.68983	0.7
82.95277	1.6
83.01260	1.6
84.04412	1.9
85.02819	5.6
89.02305	1.4
93.03333	28.7
94.03696	1.2
98.20554	0.9
101.02304	4.2
102.01401	0.7
108.02032	6.8
109.02841	4.9
111.00764	1.3
113.02322	3.3
121.02824	1.5
122.03690	0.7
123.00790	1.9
123.04406	9.4
128.03403	3.4
134.02339	1.7
135.04427	1.2
136.01515	2.4
137.02342	36.4
138.02661	1.0
139.09648	0.8
144.70317	0.7
148.03938	0.9
150.05502	1.0
151.03876	1.6
152.01077	0.9
161.04469	0.7
164.03441	30.9
165.03740	1.3
167.03413	2.3
167.11726	1.7
171.10110	0.9
175.64104	0.7
176.78702	0.8
177.04201	2.5
178.05011	19.1
179.03546	0.9
191.01863	1.3
192.06633	4.1
197.12889	10.1
198.11252	1.6
201.03894	0.8
201.11388	1.0
209.11778	0.9
215.13968	6.2
234.07907	0.8
263.10294	1.0
264.80206	0.8
271.02679	1.2
281.06677	14.7
288.14764	1.5
299.01920	2.7
303.17108	1.5
305.15051	2.7
306.15823	16.9
307.16367	1.5
314.04218	1.7
321.18176	12.6
347.16080	5.2
365.17136	3.0
519.11401	3.0
543.28082	2.4
561.29468	1.0
585.24469	1.3
629.23511	6.7
647.24548	100.0
648.24689	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	647.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88322	0.1
59.01254	0.2
71.57674	0.2
72.87589	0.1
79.95605	2.5
85.02807	0.3
96.95887	100.0
97.95810	0.3
98.95457	0.3
99.03028	0.1
99.03773	0.1
115.91934	0.1
151.00299	0.1
161.02370	0.1
179.03320	0.1
186.21472	0.1
243.02969	0.1
255.03052	0.2
271.02505	0.7
274.50287	0.1
296.88300	0.1
299.01843	0.2
300.02744	1.2
301.03479	0.6
336.39383	0.1
399.00403	0.2
482.57455	0.1
505.09848	2.2
506.09961	0.2
540.51501	0.1
654.60730	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.9
58.00463	2.1
58.56319	0.5
59.01247	2.0
61.98710	0.6
68.02424	0.6
69.03314	0.6
69.23794	5.4
69.24207	0.8
71.01234	2.9
73.02809	1.1
78.95760	0.9
83.04900	1.1
85.02860	0.6
93.03356	3.7
95.04892	1.7
97.02802	0.8
99.04394	0.6
109.06489	0.8
111.00754	3.1
113.02066	0.6
116.92720	1.0
121.10063	1.0
125.09605	5.3
125.94034	0.5
127.07552	4.4
127.11182	5.7
127.50658	0.5
135.32722	0.5
137.09613	1.5
139.11214	1.4
141.09114	6.0
143.10677	1.1
154.99651	0.6
155.10687	2.8
165.05238	0.7
165.09021	3.5
167.10506	1.1
171.10193	7.7
172.10548	0.7
173.00804	1.3
181.08401	4.4
183.09955	5.2
183.13818	3.1
191.06795	0.8
193.08400	27.8
194.08665	1.2
195.10001	3.2
195.13997	0.9
197.06107	0.6
197.07901	1.6
197.10239	1.4
199.09726	2.7
201.11252	46.6
202.11638	2.2
207.10011	1.8
208.13361	0.9
209.07884	2.0
209.11740	1.5
213.14815	1.1
219.09935	0.6
220.13309	0.9
221.07903	1.4
222.08705	5.8
223.09488	49.6
223.13083	2.0
224.09769	1.8
225.07375	1.8
227.09027	5.3
233.11592	1.3
235.09473	0.5
235.13177	1.0
239.08908	1.8
241.06900	1.3
241.09254	10.3
241.14305	0.7
245.11592	0.7
254.07660	0.6
263.12674	7.7
264.13098	1.2
265.10526	0.9
267.08466	3.2
267.12152	1.7
275.20193	3.2
278.11264	3.4
293.21170	4.5
295.13684	0.6
297.18320	0.8
303.19366	1.5
311.22269	80.9
312.22604	7.7
313.17950	0.8
315.19449	7.2
329.17361	1.1
331.18857	2.0
333.20462	100.0
334.20807	10.1
335.21317	0.6
351.20258	1.3
353.15839	0.6
365.18118	1.1
377.19403	9.3
381.20755	0.6
391.03925	0.5
414.20996	1.0
508.25229	0.7
535.31238	0.7
645.42920	19.3
646.31622	6.0
646.42975	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	645.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50538	1.3
53.51522	1.4
59.01243	3.9
61.98700	1.3
62.48789	1.3
69.43288	8.7
69.43690	2.7
71.04880	2.6
78.84048	1.3
78.95785	7.1
95.04894	2.5
96.95868	1.5
97.06458	5.0
99.08061	2.8
111.08054	4.1
116.38676	1.3
139.11165	1.3
141.12740	2.5
143.07018	1.4
145.53690	1.6
147.08153	1.4
147.11707	1.3
147.73344	1.3
152.99501	4.2
163.78549	1.3
165.12590	1.6
171.10172	3.1
183.13943	1.4
193.08328	1.8
197.11745	13.8
198.11998	1.5
199.13411	2.7
211.13396	1.4
215.10597	2.5
217.22479	1.3
219.09984	4.0
225.11160	1.5
233.11588	29.7
247.13281	1.8
251.16197	1.8
251.24246	1.5
291.19760	2.6
293.21283	1.4
295.22766	5.7
309.20734	24.3
311.22348	2.5
313.17862	3.9
313.23846	100.0
314.24231	8.8
317.21204	1.7
331.19073	6.5
333.20459	3.0
335.21967	7.6
379.21103	3.8
547.34656	2.7
645.34320	2.1
645.43622	17.1
646.43610	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	1.3
59.01244	1.2
61.98706	0.8
68.02386	0.6
69.03327	0.9
71.01237	0.7
78.73711	0.6
78.95779	2.4
85.02789	0.8
97.06503	0.6
99.08027	1.9
111.00777	1.7
113.09611	3.0
129.09109	2.8
130.36148	0.6
139.11179	1.2
147.11705	3.5
151.11227	0.8
152.99451	1.5
153.12749	0.8
157.69525	0.7
163.11198	0.8
165.12759	3.5
169.12253	2.4
171.10194	7.9
181.12286	3.3
183.13809	1.7
193.08350	1.6
193.12213	1.0
195.13792	0.7
197.11731	7.3
199.13353	4.3
209.11722	1.1
211.13329	12.9
212.13634	0.8
215.10481	5.4
219.10066	1.1
233.11551	49.1
234.11931	2.7
259.09506	0.7
275.20126	0.7
284.93994	0.7
293.21234	10.9
294.21622	0.9
295.22754	0.6
297.15134	0.8
309.20685	0.6
311.22260	100.0
312.22638	8.2
315.19247	0.6
319.82654	0.6
333.20416	5.8
401.25009	0.6
431.22699	1.2
445.24463	2.5
545.33453	1.7
645.33130	0.9
645.43481	12.7
646.35193	1.0
646.44543	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	645.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42352	0.3
59.01254	0.4
64.11046	0.3
68.02408	0.3
69.48633	0.6
69.49025	2.5
71.01263	0.4
71.04908	0.3
75.00758	0.3
78.95789	0.5
80.96352	0.4
81.03338	0.4
83.04890	0.8
85.02831	1.4
89.03841	3.0
93.03385	0.4
96.00798	0.4
96.95888	1.1
105.03309	0.3
106.04116	0.5
111.00689	0.3
114.66770	0.3
117.03351	9.1
121.02831	0.6
125.03564	0.4
125.07125	0.3
133.02798	0.5
134.03630	100.0
135.03943	3.5
137.02289	0.3
146.08125	0.5
149.02336	0.6
149.05981	7.0
150.03056	0.4
164.04617	0.4
176.32248	0.4
178.02631	1.3
187.45721	0.3
191.01877	0.8
193.04990	99.6
194.05327	5.0
194.06911	0.5
209.02960	1.0
209.77885	0.3
225.16003	0.9
231.70657	0.3
232.76506	0.4
284.58075	0.3
333.22864	0.4
355.67691	0.4
433.31793	0.6
451.32883	16.6
452.33148	1.5
458.60614	0.3
458.68243	0.3
483.17728	0.7
645.27484	0.6
645.38373	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3489
Annotation	Cussoside B
Peak:m/z	Relative Intensity
54.10783	0.5
55.01754	2.8
57.03319	4.5
58.00466	4.7
59.01250	89.7
60.01582	0.8
63.61916	0.5
69.03339	0.9
70.43542	1.2
70.43882	1.0
71.01252	70.9
72.01557	0.6
72.99171	5.1
73.02819	7.7
75.00748	1.7
78.95773	0.9
83.01253	6.3
83.04858	0.6
85.02822	22.1
87.00757	3.5
89.02317	53.9
95.01261	6.2
96.95899	3.6
97.02821	0.7
98.20233	1.3
99.00745	3.9
99.11827	0.5
101.02320	43.2
102.02689	0.9
102.05511	1.8
111.00766	1.5
113.02329	26.1
114.02654	0.7
119.03393	26.2
125.02338	1.0
129.01804	3.2
131.03392	2.1
133.04973	0.8
143.03371	4.0
145.16164	0.6
149.04457	2.1
159.02846	1.3
161.04460	6.6
164.63368	0.5
171.10150	0.9
179.05521	7.0
191.01880	1.1
199.09700	2.0
201.11253	1.0
209.03050	1.0
209.11679	2.5
225.11238	0.7
227.12889	1.1
235.34415	0.5
293.09418	0.7
465.28751	1.0
483.29630	41.7
484.29941	5.2
645.34918	100.0
646.35248	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	645.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29754	1.0
59.01239	2.0
69.32006	10.3
78.95782	52.8
81.88270	1.0
96.95884	1.1
96.96855	11.4
99.08046	3.9
104.21289	1.1
127.11176	2.3
128.03447	1.1
129.09119	1.4
152.99504	30.9
153.00751	1.6
165.68427	1.2
167.14282	1.2
169.12260	1.2
171.10191	8.2
173.28059	1.0
179.64862	1.0
181.12283	1.9
183.13809	4.3
193.12279	1.6
197.11732	1.0
199.13313	2.7
211.13350	23.1
229.14426	17.1
241.01167	28.8
293.21301	1.8
306.07648	1.6
311.22449	2.2
315.04907	2.4
327.21631	1.1
329.23322	31.7
330.23648	1.8
465.22464	5.5
483.23703	2.7
645.28906	100.0
646.29230	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79696	0.6
56.81435	0.6
57.03321	1.0
69.03338	0.8
69.99884	3.4
76.46825	0.6
78.95780	43.1
80.42215	0.5
83.04893	0.8
96.96838	7.9
97.06471	1.0
98.20477	0.8
99.08038	5.4
113.64529	0.7
125.09647	1.4
127.11156	2.9
139.11143	1.4
150.98058	0.6
152.99492	32.0
153.99896	0.8
155.14342	1.2
167.14392	1.5
171.00539	1.3
171.10181	5.7
183.13834	6.8
183.82912	0.7
193.12334	2.8
197.11690	0.7
209.11737	1.5
211.13342	36.4
212.13699	2.4
222.67679	0.7
223.00058	2.6
229.14401	25.5
230.14828	1.7
241.01169	21.5
259.02249	1.3
293.21262	2.3
306.07538	1.1
311.22284	1.9
315.04871	2.8
322.72031	0.6
327.22101	0.6
329.23318	44.1
330.23700	5.0
333.05850	0.8
379.09503	0.6
437.20505	1.0
645.28906	100.0
646.29211	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	645.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.8
59.01247	0.8
60.70446	0.6
64.72298	0.5
69.03339	0.7
70.60995	0.6
73.63404	0.6
78.95778	43.4
79.56470	0.7
83.04902	1.0
85.02821	0.9
96.96840	8.7
99.08051	5.3
102.15211	0.6
123.28895	0.6
125.09594	1.0
127.11182	2.7
139.11163	1.6
151.09253	0.6
152.99495	30.6
163.11121	0.9
167.14302	2.1
171.00471	1.1
171.10167	5.9
183.13818	5.4
185.11673	0.8
193.12238	2.0
199.13316	0.7
209.11781	1.8
211.13350	33.4
212.13727	1.4
223.00037	2.4
229.14424	19.2
229.41827	0.7
230.14722	1.0
241.01138	18.6
259.02271	1.7
293.21271	2.5
311.22211	1.5
315.04865	1.8
329.23322	43.7
330.23724	3.1
437.20499	1.0
483.23749	1.5
493.53714	0.6
645.28900	100.0
646.29211	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	645.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59254	0.4
59.01246	3.0
63.06295	0.4
69.52738	1.1
69.53160	1.2
71.01205	0.4
78.95760	1.0
80.04927	2.4
85.02819	1.2
94.06490	1.2
96.95866	0.4
97.17444	0.3
106.06514	2.4
107.03638	1.8
108.04453	4.3
108.08054	1.7
121.05219	0.7
122.06004	14.3
124.07591	0.9
132.04448	4.5
132.99310	0.3
133.04900	0.5
134.06017	4.8
134.09628	0.6
136.07585	7.9
137.08025	0.4
139.02655	0.6
144.04367	0.5
144.19963	0.4
146.06009	1.2
147.06560	0.4
148.07556	1.2
151.00264	1.0
152.07071	22.9
152.99512	0.6
153.07375	0.8
160.07594	1.7
162.05519	1.0
162.09163	9.3
163.09491	0.6
170.08345	0.3
171.10124	0.9
176.03394	1.0
180.06573	18.9
181.06876	1.0
188.07080	1.4
195.82108	0.3
198.37572	0.3
199.12276	0.4
201.11334	0.3
206.08141	2.2
211.08713	1.5
211.13449	0.5
213.10222	1.1
223.08638	0.9
224.09250	0.4
225.10257	1.2
226.07697	0.4
226.10855	0.4
227.11896	1.5
229.14375	0.7
238.11124	1.3
239.08130	0.8
239.11873	4.4
241.01143	0.4
241.09715	1.1
241.13438	1.3
251.08232	0.7
251.11893	0.4
252.09021	0.5
253.09746	2.5
253.13493	1.0
253.90059	0.3
266.10623	1.9
267.11389	2.4
268.12048	0.9
269.12943	2.9
270.13156	0.4
279.11316	0.9
281.12939	5.6
282.13095	0.5
285.12430	4.8
295.10925	1.2
297.12430	10.1
298.12674	0.6
303.13617	0.5
307.10904	0.5
312.11069	1.0
313.11896	3.5
325.11838	0.9
329.23328	1.1
341.11273	1.7
361.06985	0.5
376.16464	0.4
406.21808	0.5
422.20776	0.9
432.19366	1.2
450.20422	6.0
451.20401	1.0
460.18515	1.4
466.19925	0.3
468.51913	0.5
478.19803	100.0
479.20145	14.4
504.17850	1.1
505.42294	0.4
551.64478	0.4
583.25244	1.2
601.26373	0.7
645.28687	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	645.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85648	0.1
59.01254	1.2
61.98692	0.8
69.43723	0.1
70.42102	0.5
70.42456	0.2
71.01250	0.9
72.99167	0.1
73.02802	0.2
78.95770	0.4
79.95609	2.9
85.02824	1.3
85.05897	0.1
89.02310	0.3
93.03323	0.2
93.85907	0.1
94.55204	0.1
96.95887	100.0
97.95803	0.2
98.20081	0.2
101.02317	0.2
111.00764	0.2
113.02328	0.2
114.93284	0.4
119.03407	0.2
122.06015	0.3
129.01854	0.2
130.08588	0.2
133.04974	0.2
135.04405	0.5
136.07616	0.3
147.02844	0.2
152.07108	0.2
152.99516	0.2
165.01897	0.2
171.10158	0.3
177.92459	0.2
185.25250	0.1
191.01891	0.4
199.09685	0.4
209.02754	0.2
209.11812	0.5
211.13416	0.1
227.12756	0.2
229.09857	0.3
229.13480	0.1
239.11882	0.2
253.09332	0.2
255.03024	0.3
278.07071	0.3
283.02438	0.5
284.03177	0.2
286.49875	0.1
293.09409	0.9
298.04858	0.4
299.05615	0.4
301.11960	0.4
319.12943	1.2
325.00238	0.2
325.97366	0.2
337.08255	0.5
352.99872	0.3
354.00772	0.2
355.01434	0.2
382.00034	0.2
397.02460	1.8
398.02991	0.2
403.66937	0.1
429.01535	0.5
439.23105	0.2
478.19662	0.3
489.97281	0.2
503.12112	0.2
508.17499	0.5
540.19690	0.3
600.31104	0.3
601.26367	1.0
644.29742	1.2
645.29932	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.7
57.03314	2.9
58.39645	1.3
58.70204	1.1
59.01247	17.0
61.98696	4.0
70.97449	2.0
70.97804	2.2
71.01250	14.1
72.99186	2.1
73.02811	5.5
75.00739	2.0
78.95786	4.2
83.01264	4.1
83.54760	1.0
85.02815	17.0
87.00761	2.3
87.60767	0.9
89.02322	3.7
95.01272	1.4
96.95896	12.0
99.00755	2.0
101.02313	7.9
107.04922	2.1
111.00780	4.3
113.02328	2.8
115.93348	1.0
119.03434	1.0
122.06046	1.6
125.02335	1.3
129.01855	2.1
131.40332	0.9
133.04951	10.9
135.04420	36.5
137.02394	1.5
146.08144	1.5
147.02869	1.4
147.04469	1.4
148.05258	1.0
150.72745	1.0
152.07048	2.1
152.99440	2.5
161.04501	1.5
171.10201	3.5
173.00839	2.4
175.07600	3.4
189.09148	7.5
191.01886	6.4
195.10330	1.3
196.41055	1.1
197.11765	4.2
209.03195	2.7
209.11729	3.9
211.13361	1.5
227.12843	2.4
229.14305	1.1
241.01218	1.9
257.12863	1.4
276.17276	19.3
276.20029	1.3
276.41983	1.0
277.17749	1.8
291.19672	5.8
310.60507	1.1
327.21793	2.0
330.51093	1.3
420.21597	2.4
438.22562	31.7
439.17307	3.0
439.23090	4.0
453.24979	8.7
509.24231	1.5
584.28241	15.1
585.28796	2.1
599.30725	28.4
600.31036	2.3
625.29211	5.4
643.29596	100.0
644.30170	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01478	1.2
51.30832	1.1
55.40836	1.2
56.77473	1.0
56.84775	1.1
57.03329	2.4
59.01246	5.2
61.98701	1.8
71.01250	2.6
71.57250	2.4
73.02837	1.2
78.95777	3.8
79.95618	1.3
80.04942	3.2
80.96377	1.1
82.08107	1.0
85.02813	11.0
88.98694	2.4
89.02348	1.5
94.06526	5.8
96.95887	41.5
96.96846	2.5
99.04391	1.8
101.02283	1.8
105.05718	1.4
106.06514	1.6
107.03651	11.1
111.00745	2.1
120.08080	23.5
120.08888	2.0
122.06010	85.2
123.06325	2.4
124.07565	2.7
132.04440	4.6
134.06010	7.2
139.02617	3.1
147.02968	1.5
152.07077	100.0
152.99480	2.7
153.07387	5.1
158.02266	1.6
160.03938	1.7
161.04622	2.0
164.07031	1.4
171.10143	3.0
174.05496	2.7
190.05025	4.6
191.01897	3.9
197.11771	15.6
207.10345	1.3
209.02882	2.4
209.11784	13.3
210.07945	1.6
211.13414	2.3
221.10773	2.2
223.08685	9.7
224.09428	3.2
225.10373	2.6
227.12828	4.6
235.08604	1.9
235.12436	3.3
236.09500	2.2
237.10312	12.5
238.11024	3.8
239.11833	10.3
241.13521	1.7
245.12888	5.1
249.06725	1.6
249.10287	2.6
250.11018	2.0
251.08163	4.2
251.11923	6.5
252.12389	1.7
257.12991	1.6
262.07300	1.3
263.08237	6.5
264.09033	12.4
265.09775	8.8
266.10532	2.5
267.11322	1.6
271.10849	4.3
276.09158	2.3
277.09808	3.7
278.10382	6.3
279.11356	43.3
280.11835	7.1
281.12805	2.6
283.10696	2.0
291.11356	15.1
292.12048	3.3
293.12930	2.2
295.10852	4.2
305.09363	1.4
313.12033	2.0
322.09467	1.3
323.10431	9.5
324.10925	3.9
325.11819	2.5
339.09854	2.0
355.13046	1.8
360.17184	1.8
365.08282	1.2
372.17062	1.9
376.20322	1.5
386.18762	1.7
388.16699	2.0
402.18137	16.1
403.18808	3.1
413.74442	1.3
414.18231	1.8
416.19925	3.7
417.20398	1.4
444.19351	17.1
445.19742	5.1
445.26187	1.2
447.17999	1.8
448.18698	7.7
449.19290	1.6
460.18777	2.5
461.19476	3.9
471.18323	2.4
488.18195	29.1
489.18793	20.4
490.19312	4.1
520.20874	49.4
521.21387	7.9
525.24854	3.6
567.26068	39.3
567.34998	1.5
568.26282	5.8
611.25037	94.4
612.25336	16.1
643.27563	34.2
643.38104	1.6
644.27936	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	643.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85144	1.0
59.01240	5.5
71.01246	2.6
78.95792	7.4
80.04931	2.8
80.65701	1.1
80.96375	3.2
82.63527	1.2
85.02824	6.1
88.98682	1.7
91.00191	1.1
94.06494	5.7
94.24754	1.1
96.95882	7.3
101.02276	1.6
105.05642	1.0
107.03652	9.3
111.00787	1.7
120.04399	2.3
120.08083	11.3
122.06010	84.1
123.06300	2.6
124.07550	2.0
129.01779	1.2
132.04411	2.1
134.06030	6.0
136.07506	2.3
139.02728	1.3
152.07083	100.0
152.99483	3.4
153.07387	3.7
161.04659	1.5
164.07127	1.3
166.04980	1.3
171.10185	3.4
174.05624	1.4
190.05002	1.6
191.01831	3.0
197.11797	6.7
200.07138	1.2
201.11259	1.6
209.11790	7.8
211.13396	1.7
213.13895	1.2
220.89891	1.2
222.07481	1.4
223.08711	15.5
224.09396	4.5
225.10175	2.5
233.10541	1.4
235.12424	3.7
236.09637	1.3
237.10294	16.8
238.11060	9.2
239.11876	17.7
239.89386	1.3
241.01291	2.1
241.13625	1.4
245.12926	2.9
249.10176	1.4
251.08229	4.5
251.11874	10.4
253.09337	1.8
263.08264	2.9
263.11792	1.2
264.08984	6.2
265.09833	8.3
266.10629	1.4
271.11002	6.1
271.13666	1.2
277.09717	2.4
278.10452	2.4
279.11371	30.1
280.11801	4.0
281.12869	2.8
283.10806	3.3
291.11285	4.7
292.12076	1.9
293.13071	1.7
295.10840	2.7
311.13861	2.0
323.10370	5.8
324.10983	2.2
325.11838	3.6
327.21817	4.0
355.13062	3.0
356.13965	1.3
360.17230	3.4
388.16516	2.5
389.17331	2.2
397.13541	1.5
400.19980	1.5
402.18259	28.0
403.18549	7.2
404.19647	4.7
416.19907	2.8
444.19211	17.5
445.19678	2.5
447.17676	2.5
448.18787	33.2
449.19193	3.3
471.17319	1.4
488.18295	12.7
489.19196	9.7
494.25330	1.4
497.56485	1.3
499.27725	1.4
520.20996	23.1
521.21564	5.9
523.26923	2.7
524.51709	1.2
525.24884	8.2
532.98810	1.3
553.20325	2.6
567.26056	16.1
568.25940	3.3
569.24103	1.8
570.24829	2.1
583.24768	1.6
611.25061	40.8
612.25525	8.3
643.27631	73.4
644.27631	12.5
656.49493	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	643.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.8
59.01227	1.6
71.01256	0.7
80.04929	3.0
85.02808	1.9
94.06502	5.5
96.95859	1.6
104.04913	1.2
104.30688	0.7
105.05714	1.7
106.06481	2.6
107.03646	6.9
119.20496	0.7
120.04408	1.5
120.08080	22.5
121.05231	1.1
121.08463	0.8
122.06005	75.9
122.24417	0.7
123.06328	2.7
124.07542	1.9
132.04453	4.0
134.06006	6.4
136.07552	1.8
137.04704	1.0
139.02614	1.7
148.04021	1.0
150.05443	1.7
152.07072	80.8
153.07391	2.2
158.02365	0.9
160.03925	1.5
164.03407	1.1
164.07047	2.1
166.05025	1.2
171.10260	0.8
174.05507	1.6
190.05034	3.5
191.01825	1.2
197.11818	3.4
201.11243	0.9
209.11784	2.6
211.08572	1.0
211.12318	1.2
222.07848	1.0
223.08673	7.1
223.17664	0.9
224.09471	3.2
225.10286	2.5
235.08580	1.2
235.12361	2.2
236.09460	1.3
237.10275	12.2
238.11040	4.8
239.11838	10.1
240.12157	0.9
241.13390	1.3
243.15065	1.0
245.12900	5.9
249.06622	2.1
249.10217	1.8
250.07379	1.5
251.08165	3.9
251.11821	5.8
252.12480	1.8
253.09712	0.9
261.10300	1.0
263.08282	3.9
263.12106	1.2
264.08981	9.0
265.09778	9.4
266.10382	2.0
267.11343	1.6
271.10818	2.0
276.08823	1.6
277.09827	3.2
278.10583	4.3
279.11346	30.6
280.11951	5.6
281.12912	1.9
283.10822	1.7
287.14185	0.9
291.11423	7.0
292.12018	3.5
293.09253	0.7
293.12772	0.8
295.10892	4.6
295.13992	1.0
296.11234	0.8
297.12231	1.1
305.09149	1.2
309.08856	0.8
309.12283	0.9
310.13007	0.8
313.11987	2.6
322.09503	0.7
323.10358	7.9
324.11188	3.5
325.11923	4.0
326.12717	1.2
355.12930	2.6
356.13593	0.9
358.15442	1.0
358.19339	1.0
360.17148	2.6
372.17294	1.4
374.18762	0.9
384.17334	1.0
386.14651	0.9
387.15503	0.9
388.16580	2.7
389.17459	0.9
402.18271	12.2
403.18625	2.6
404.19696	2.2
414.18039	1.7
416.19739	2.2
417.20654	1.8
429.16870	1.0
431.18787	0.8
443.18521	1.2
444.19241	14.3
445.19696	2.9
446.16898	1.4
447.17233	0.9
448.18713	5.4
449.18967	1.2
460.18326	1.1
461.19562	3.0
471.18011	1.2
488.18207	19.0
489.18954	18.2
490.19330	1.5
520.20801	19.6
521.21704	4.8
523.27435	0.9
525.24872	1.7
539.26495	0.9
553.20795	1.0
567.26093	34.8
568.26251	6.9
583.25659	1.3
593.24213	1.3
611.25055	100.0
612.15436	0.9
612.25433	16.1
643.27557	28.8
644.27942	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	643.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37091	0.6
57.03319	0.5
58.83226	0.5
59.01245	4.5
61.98697	0.8
65.55530	0.5
71.01248	2.4
78.95764	2.8
79.95601	2.8
80.04923	3.2
83.04888	0.6
85.02824	5.5
87.00764	0.6
88.98681	0.5
89.02336	0.8
92.16013	0.6
96.95889	100.0
96.96889	3.1
98.02336	0.8
98.03253	0.5
99.00757	0.8
101.02327	1.4
104.04958	1.5
106.06519	1.4
107.03653	0.7
108.04416	0.9
108.08084	2.0
111.00790	1.1
113.02322	0.7
120.08145	0.5
121.05192	1.1
122.06017	5.0
129.01820	0.6
133.18282	0.5
134.06026	3.3
134.57388	0.5
136.07574	29.7
137.07945	0.8
137.58852	0.6
139.03935	0.6
146.06046	1.5
147.02994	0.9
148.03883	0.8
152.07080	5.0
160.03928	1.0
169.12202	0.8
171.10173	1.1
174.05518	1.6
180.06554	3.6
186.05412	0.7
188.07100	8.3
191.01915	2.1
193.53415	0.6
197.11781	9.3
199.13216	0.8
209.02962	1.0
209.11769	9.0
211.08739	2.3
211.13341	1.1
213.11087	0.7
225.10269	1.3
226.11082	0.8
227.13089	2.7
229.13422	2.3
235.08522	0.8
239.11890	1.6
249.41101	0.5
251.08208	1.2
251.11856	2.0
252.08939	0.9
253.09674	5.8
254.09999	0.6
264.09015	0.7
265.09821	1.3
266.10587	0.8
267.11362	1.8
274.18112	0.7
277.09836	2.0
278.10553	0.8
279.08182	1.0
279.11426	3.3
280.11606	0.9
281.12997	0.6
293.09250	1.7
294.10016	1.7
295.10843	13.9
295.13971	1.1
296.11301	1.8
297.12454	0.9
307.10861	8.2
320.21732	0.6
321.09152	0.8
323.10489	0.8
335.83704	0.6
376.20206	1.2
402.18176	2.0
416.19775	1.7
420.19119	0.7
442.17429	1.2
444.19269	25.4
445.19662	3.8
447.18192	0.6
460.19016	1.6
470.16974	1.0
488.18271	52.2
489.18704	7.4
520.20856	19.3
521.21326	3.0
567.25787	1.6
611.25348	2.8
643.27521	2.5
643.37079	1.8
644.27368	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07006	1.0
57.03327	2.0
59.01251	2.8
71.57832	1.9
78.95776	62.2
85.02818	3.1
93.03349	2.3
96.95901	1.7
96.96847	8.9
97.06448	2.4
119.04909	2.6
120.92291	1.1
121.02859	7.7
128.03488	1.2
130.04102	3.2
131.04945	7.7
132.83009	1.1
135.04379	3.2
138.11107	1.0
139.84320	1.0
147.04416	3.9
149.05965	2.9
152.99496	47.4
153.99821	1.3
165.12778	1.2
169.12265	2.4
171.00636	1.3
171.10210	7.0
181.12268	1.7
183.13788	5.4
197.11768	15.1
199.13318	3.3
211.13329	8.5
223.00204	1.6
227.07152	1.8
229.14470	4.0
241.01157	23.0
259.02170	1.9
291.19553	1.6
306.07669	1.2
315.04871	2.7
327.21793	24.8
328.22128	2.1
353.11533	1.6
383.12830	1.4
401.13928	2.8
431.14954	3.6
443.15530	1.4
463.16968	8.0
473.17944	1.3
481.22070	8.8
485.17145	1.4
493.18951	5.8
503.18796	3.6
533.19885	2.6
563.20966	1.6
564.20349	1.2
581.21924	14.8
582.21771	3.3
593.21454	2.2
595.22906	3.6
611.22656	3.8
625.23950	1.3
643.27191	100.0
644.27533	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	643.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	1.3
59.01234	1.2
59.56479	0.9
69.03324	1.0
70.72759	2.2
70.73091	1.0
71.01258	1.1
78.95776	48.1
85.02825	2.9
95.04899	1.5
95.74307	1.0
96.95874	1.3
96.96841	9.2
97.06483	4.9
108.18262	1.0
111.56048	1.0
119.24638	1.0
127.11189	1.3
137.09615	1.1
150.97920	1.3
151.42635	0.9
152.99492	31.9
155.10686	1.3
159.06004	0.9
167.14374	1.2
171.10184	8.8
183.13805	5.3
185.11819	1.2
209.11778	1.8
211.13326	21.8
221.11806	3.2
223.00070	2.6
229.14401	13.7
239.12854	1.9
241.01161	18.3
259.02509	1.4
279.10242	1.1
291.19604	3.4
315.04727	2.0
327.21756	34.5
328.22116	3.3
370.32462	1.1
383.11954	1.2
481.22137	2.1
488.20947	1.6
611.23041	1.2
643.27332	100.0
644.27740	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	643.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01728	0.8
57.03306	0.8
58.00452	0.8
59.01254	23.1
69.60544	3.6
71.01251	16.7
72.99156	1.9
73.02808	1.9
75.00697	0.6
79.95594	0.7
80.96369	2.0
83.01238	2.0
85.02814	6.0
87.00736	0.8
89.02318	11.6
95.01262	1.4
98.19821	1.2
101.02320	11.3
107.04877	0.8
111.00740	1.1
113.02332	6.1
119.03377	4.2
122.03624	20.9
129.01831	0.9
135.04422	10.7
136.05132	2.1
137.02299	0.5
148.05173	3.0
155.33357	0.5
157.07600	0.8
175.07480	0.7
177.52097	0.5
189.09135	3.7
190.09779	0.9
194.61838	0.5
205.12057	0.7
242.13052	1.2
245.15442	1.5
257.09256	1.0
257.15491	1.9
259.17078	1.0
260.13965	0.5
266.47571	0.5
275.16501	12.7
276.16901	1.2
394.65472	0.5
408.44958	0.5
436.21042	1.8
437.21771	100.0
438.22131	12.3
481.20895	4.5
587.87921	0.6
599.26746	2.6
643.26172	16.7
644.26672	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	643.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73925	0.2
55.01756	0.3
57.03313	0.3
59.01250	0.8
60.78419	0.2
71.01251	2.5
71.57683	0.4
73.02817	0.7
83.01255	0.4
83.78574	0.2
85.02836	1.8
86.27319	0.2
89.02301	0.2
95.01297	0.3
99.00792	0.5
101.02316	1.2
107.04907	1.4
109.02849	0.3
111.00722	0.3
113.02361	1.3
121.02854	0.4
122.03633	5.3
123.04395	0.9
125.06008	0.3
131.08553	0.3
134.03653	0.3
135.04416	36.6
136.05270	3.1
136.72768	0.2
137.05997	1.5
147.04393	0.2
148.05191	4.1
149.05925	0.9
150.06668	0.2
159.04427	0.4
160.05222	0.6
161.04445	1.2
164.04723	0.8
171.08112	0.3
173.06035	0.2
174.06786	5.4
175.07544	2.5
176.08286	0.8
177.09128	0.6
187.07646	0.4
188.08379	0.5
189.09108	2.6
202.09904	1.1
217.12302	0.3
227.14383	0.4
230.13036	1.3
231.13855	0.3
236.82999	0.2
239.14311	0.3
242.13106	3.5
245.15431	8.1
246.15817	0.6
247.17058	0.4
255.13875	0.6
257.15445	5.6
257.18045	0.3
258.15790	0.7
259.13422	0.4
260.14108	1.0
271.13348	0.4
274.13513	0.4
274.15747	19.8
275.16501	100.0
276.13779	0.4
276.16846	8.4
289.14481	0.8
437.21765	15.9
438.22052	2.2
640.89978	0.2
643.26477	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	643.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	2.5
59.01251	37.3
65.00182	1.5
66.76521	1.5
67.15918	1.4
69.64256	3.6
69.64661	9.7
71.00898	2.3
71.01258	26.8
71.88724	1.4
72.99164	2.4
73.02811	3.5
76.07686	1.6
79.95589	2.4
80.96391	9.6
83.01240	3.9
85.02812	14.6
89.02322	20.3
93.03336	1.9
95.01269	2.3
96.95863	2.5
99.00744	1.9
101.01787	1.7
101.02330	18.8
107.01249	3.8
109.02766	2.1
111.00736	3.9
113.02340	7.7
117.03270	1.5
119.03367	5.2
122.03616	34.1
125.02356	2.2
129.01732	2.0
135.04428	20.1
136.05190	2.6
139.00264	2.0
141.01813	1.9
148.05238	4.0
151.00310	9.4
152.00903	2.4
157.37042	1.4
161.02249	2.6
161.05885	1.5
163.00200	1.8
164.98482	2.3
165.01753	2.7
169.01343	3.7
174.06760	2.1
178.99715	6.9
189.09132	22.6
191.01923	2.5
202.05008	1.7
206.99202	1.5
209.00999	1.8
209.02907	2.2
225.00671	3.8
242.13095	2.5
243.02890	1.8
245.15436	2.7
255.02948	3.6
257.15372	3.8
259.02258	1.7
260.14099	1.7
269.21121	1.5
271.02240	3.7
273.03894	1.7
275.16498	17.2
276.29166	1.7
299.01822	3.7
317.02902	1.8
436.21085	5.5
437.21768	100.0
438.22275	12.7
463.20447	2.6
599.26740	7.9
607.12634	1.7
627.25665	1.6
643.15497	3.6
643.25970	77.1
644.26428	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	643.255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	6.7
68.02412	2.9
69.44561	15.3
71.01251	3.4
71.23122	2.2
74.02338	2.1
78.95778	52.5
79.95556	2.1
86.91293	2.1
88.65987	2.0
89.02309	2.8
93.03355	9.3
96.95886	2.5
96.96843	6.5
98.20528	4.0
103.05429	2.5
107.04924	3.0
108.67860	2.0
117.03304	2.8
119.04926	8.3
121.02852	15.3
126.99434	13.6
130.04137	18.6
131.04927	62.8
132.05113	2.7
134.03642	5.8
135.04399	6.5
147.04430	6.7
149.05991	23.8
152.99510	47.7
165.05495	2.6
171.10214	5.0
197.11798	11.7
209.15556	2.1
223.07562	2.5
223.17006	3.3
225.05582	5.7
226.06339	3.3
233.06003	3.5
235.07709	7.9
239.07114	4.8
240.07887	8.1
240.98918	2.4
241.01025	10.0
250.06319	2.4
251.07161	6.5
251.16681	2.5
252.07886	3.2
253.08733	16.7
254.05882	15.3
254.08281	3.0
263.07364	3.1
267.06497	2.7
267.10263	3.4
268.07382	36.6
269.08142	9.7
275.16513	3.1
280.07443	5.7
281.08255	14.9
282.09033	18.9
283.09778	7.6
298.08530	8.5
306.07620	3.2
313.10748	33.5
313.30630	2.0
314.11166	2.3
327.21729	18.9
329.11868	3.4
337.12283	2.2
341.11673	3.3
342.12433	3.3
343.11896	4.1
353.11780	4.0
357.11307	2.4
371.12964	11.2
383.12955	7.4
385.14661	3.4
395.12805	3.0
397.14771	3.7
400.13190	6.3
401.13940	100.0
402.14148	10.4
413.14081	6.2
415.15552	6.9
421.16788	3.2
431.14993	27.4
432.15436	3.0
443.15051	2.8
445.16821	10.8
457.16779	2.9
461.15991	2.5
463.17557	46.6
464.18100	4.4
475.17535	3.1
477.19141	8.2
481.22125	9.6
493.18750	33.0
494.19135	7.2
503.18961	7.2
533.19604	26.4
534.20099	6.8
551.78192	2.5
563.21002	4.5
581.21722	29.3
582.22211	4.7
593.22235	3.0
595.23456	30.7
596.05511	2.3
596.23773	4.3
597.23737	3.1
607.22815	3.4
611.22650	14.1
613.22803	3.0
625.23981	5.0
627.29028	2.1
643.26624	95.1
644.26868	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	643.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50940	0.3
58.49695	0.4
59.00978	0.6
59.01245	4.6
60.68053	0.3
61.02438	0.3
61.02773	0.3
63.80005	0.3
67.01762	0.6
71.01253	1.2
71.20151	0.3
71.58015	0.4
71.58436	0.4
78.95782	0.6
79.05407	0.5
85.02821	2.5
89.02301	0.6
95.04897	0.9
96.95879	1.6
101.02339	0.5
104.04923	0.8
106.06528	0.4
107.03622	1.8
110.04713	0.4
111.00765	0.8
120.04447	2.0
121.05270	2.3
122.06011	11.5
123.06341	0.5
132.04446	19.1
133.04811	1.2
134.06013	2.4
135.04398	0.4
135.06764	0.6
136.07573	11.4
137.07838	0.4
144.04469	3.1
152.07069	14.4
152.99498	0.6
153.07397	0.4
158.02405	0.4
161.07068	0.9
162.05499	2.8
171.10316	0.7
171.11691	2.7
176.03452	21.4
177.03751	1.1
186.09056	0.5
188.03464	2.7
191.01862	0.8
198.09233	1.9
199.09886	1.2
209.11678	0.6
214.12329	11.0
215.12752	0.7
225.06593	0.5
226.07372	1.0
227.08223	2.2
227.12943	0.4
228.09016	1.1
229.09767	6.1
230.11844	3.2
241.09778	8.7
242.10573	16.5
243.10968	0.8
255.11331	1.0
256.12051	1.3
257.12930	79.9
258.13242	6.6
283.10898	1.4
297.12384	1.6
300.11029	0.4
301.11926	100.0
302.12244	8.4
341.11404	40.3
342.11658	3.8
378.43802	0.5
381.71649	0.4
391.19797	0.4
442.59085	0.4
527.23450	0.6
599.24683	2.9
600.25659	0.4
643.28381	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	643.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29984	1.0
57.03328	1.4
59.01250	8.9
61.98707	2.0
69.03299	1.2
71.01241	6.1
71.24699	1.7
71.25021	1.2
79.95612	2.2
80.04912	1.2
80.96402	1.5
83.04887	2.4
85.02816	10.0
86.35229	0.9
87.00738	1.2
89.02301	2.7
93.03383	1.3
95.04919	1.6
96.95888	21.7
97.02848	1.3
98.95464	1.8
101.02335	3.9
109.02831	1.8
111.00754	3.6
113.02341	1.7
115.35432	0.9
121.02831	3.4
121.64005	1.0
122.06025	3.4
123.06355	1.1
125.09548	1.1
129.01788	1.6
134.06027	1.6
139.03877	6.8
152.07088	5.2
153.07402	1.3
161.04469	1.1
163.00352	2.0
163.11273	2.4
165.01875	14.7
165.12770	1.7
169.12221	4.2
171.04497	1.1
171.10159	3.6
171.89619	1.0
173.00887	1.3
185.11777	1.5
191.01881	3.2
193.01389	3.0
197.11760	47.7
199.04004	1.6
199.13353	1.6
201.11253	13.6
209.02948	2.1
209.11771	48.5
210.99519	1.0
211.10326	1.3
211.13385	2.1
213.10248	2.4
214.10606	1.1
215.03430	1.8
223.13336	11.6
225.11337	1.5
225.14941	2.1
227.03456	4.2
227.12840	8.5
228.04083	1.3
235.08154	4.3
235.13377	1.9
240.12013	1.0
241.13435	1.4
243.02975	6.5
253.09219	6.5
254.02185	2.0
255.02924	3.1
269.04492	4.3
271.02475	75.2
272.02835	4.9
285.04037	3.3
285.12451	2.7
286.12726	3.1
287.05579	1.3
287.12918	1.2
294.13239	1.2
299.01959	100.0
300.02542	14.3
303.09521	1.1
314.04309	87.5
315.05057	50.2
316.05438	3.1
351.97089	1.1
357.06766	1.4
359.15912	2.2
389.23260	1.1
401.16925	1.8
433.20676	2.5
459.08691	2.1
459.22623	1.4
477.10370	81.2
478.10785	8.2
479.19656	5.5
497.20792	2.6
525.25153	1.8
566.24963	7.0
567.25354	6.3
569.47400	1.1
599.17749	39.1
600.17847	5.5
610.24078	4.2
611.24475	6.5
643.25421	1.9
643.35461	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	643.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01284	1.0
61.98753	1.0
64.99943	0.7
65.00263	2.1
71.01312	1.8
79.95606	47.9
80.96465	2.7
85.02419	0.7
85.02822	3.0
89.00272	0.6
93.03339	3.7
93.64308	0.6
96.60570	0.6
96.95969	2.4
97.02911	2.0
101.02431	0.6
108.02209	0.7
109.02929	2.5
115.41204	0.7
121.02840	9.2
122.03709	1.7
133.05064	1.3
135.04498	0.7
137.02386	0.7
147.03029	0.7
149.02449	1.2
149.99551	0.9
151.00366	1.4
161.02341	1.1
164.01163	1.1
165.01848	32.9
165.97557	0.6
166.02332	0.8
175.00468	0.9
187.97762	3.5
191.02028	1.2
193.01382	5.3
193.02776	0.6
200.98555	4.0
207.03014	0.9
209.03117	1.0
213.05966	2.2
226.02713	1.2
227.03587	1.0
228.04391	0.9
228.98158	0.8
242.02309	0.9
243.03117	2.0
254.02304	1.5
255.02950	0.7
256.03857	2.1
257.04602	0.8
269.04636	1.0
270.01755	0.7
271.02469	16.6
272.03104	1.5
285.04074	1.3
287.05762	1.4
299.01950	16.2
299.05234	0.7
300.02661	12.8
301.03152	0.9
313.03558	4.3
314.04337	31.4
315.05084	60.2
316.05496	4.8
385.79562	0.6
394.00308	1.7
395.00775	32.2
396.01086	3.3
423.13431	0.6
539.05292	1.6
557.06079	14.2
558.06342	1.7
599.07117	100.0
600.07471	13.8
600.15594	0.4
625.05377	1.0
643.06079	23.6
643.25842	2.0
644.06110	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	642.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70647	0.2
59.01244	1.0
61.76341	0.2
61.98701	100.0
62.98405	0.2
71.01256	0.9
71.02455	0.4
85.02834	0.8
88.18359	0.2
89.02306	0.6
101.02328	0.5
111.00788	0.3
126.99518	0.2
129.01851	0.2
133.40248	0.2
136.44513	0.2
148.58231	0.2
158.70808	0.2
163.42421	0.2
191.01945	0.2
258.57150	0.2
580.30341	0.2
581.30847	0.3
582.31335	1.1
643.27594	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11122	0.5
56.11393	0.6
57.03318	1.5
58.00464	1.0
59.01242	1.8
59.18506	0.6
68.38240	0.5
69.03321	1.1
70.63505	1.3
70.63885	1.0
71.01262	1.8
73.02823	0.8
73.13342	0.6
78.95773	0.8
83.04887	1.0
85.02815	0.7
86.66741	0.7
95.04884	1.5
97.02834	0.9
97.06477	0.9
109.06457	1.5
111.08038	23.2
112.08382	0.7
121.06472	0.6
125.09600	0.7
127.07496	1.6
141.09081	0.8
147.11681	1.7
149.09583	0.9
151.11159	3.0
153.09094	0.8
153.12730	1.5
165.12744	2.8
167.10616	0.6
169.12244	8.6
171.10153	1.8
179.10678	1.2
181.12212	1.3
183.13850	0.8
184.30370	0.6
191.10516	0.8
193.12306	1.1
196.58842	0.7
197.11763	73.6
198.12097	3.6
199.13268	3.0
199.85178	0.6
207.10147	1.2
209.11734	0.7
211.13341	16.0
212.13695	1.1
215.10454	2.3
217.08293	1.1
219.09966	47.4
220.10287	2.5
227.12811	1.9
231.09975	0.6
233.11548	22.5
234.11926	0.8
251.11366	1.3
263.20074	3.4
265.18039	1.1
273.18674	0.8
287.16412	1.3
291.19635	13.8
309.20691	100.0
310.21021	8.7
313.17810	1.8
331.18912	28.4
332.19098	2.4
375.17981	4.2
431.22809	0.9
445.24503	3.6
449.38889	0.6
543.31659	2.3
586.67279	0.6
641.39941	17.2
642.40607	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	641.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.7
57.03307	2.5
59.01262	4.1
60.47052	0.6
69.03323	0.6
71.01243	1.1
71.04523	1.0
71.04889	10.4
78.95772	2.7
81.03365	0.9
83.04872	0.8
87.80470	0.7
93.03336	2.7
93.06985	1.3
95.04909	1.2
96.95901	4.4
96.96847	1.0
97.06477	4.9
107.04910	1.0
109.06480	1.0
119.04946	0.9
119.08571	1.5
121.06503	1.3
121.10125	7.0
122.06036	0.9
123.08050	1.9
125.09618	7.0
132.86504	0.7
133.06462	1.4
135.08017	1.4
137.09625	9.6
139.11183	0.7
141.12708	1.1
147.08063	2.8
151.11208	1.3
152.07022	0.8
152.99461	1.9
156.19016	0.7
171.10190	18.8
172.10513	0.9
183.10222	1.0
185.11746	8.3
193.08383	1.2
197.11783	2.6
205.08420	3.3
207.10017	4.0
207.13876	1.0
209.11786	1.4
211.13293	1.5
217.15868	1.6
219.13876	2.0
227.18063	0.8
233.15395	1.1
235.16960	1.9
237.14998	2.5
243.17546	1.5
245.11667	0.9
245.19093	8.6
246.19725	1.0
247.20848	1.2
251.16504	23.1
252.16872	1.7
255.13530	1.6
257.11423	1.0
257.15344	0.7
273.18689	0.9
284.13992	2.7
289.14139	1.1
289.18054	0.8
291.19672	37.6
292.20081	3.5
293.15305	1.5
295.16736	1.3
302.32825	0.7
309.20715	86.9
310.21094	7.1
311.16296	2.2
313.17859	100.0
314.18188	7.9
316.12979	1.4
331.18915	19.2
332.18961	2.2
369.63544	0.8
375.17871	6.4
376.17899	0.7
471.17337	0.7
565.24609	2.0
609.23328	1.6
623.37158	0.9
641.40350	52.0
642.40656	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	641.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96916	0.7
57.03330	1.0
58.00469	0.8
59.01244	1.7
61.98692	0.6
69.03321	1.3
69.78960	3.0
71.01257	0.9
97.02824	1.4
97.06448	1.1
109.06462	1.2
111.08041	17.8
119.08569	1.3
121.10149	0.9
125.09541	1.0
127.07544	1.1
134.10539	0.6
140.19173	0.6
141.69296	0.7
147.11649	6.1
148.12070	0.7
151.11209	1.6
153.12779	1.6
161.09671	0.7
163.11238	1.2
165.12781	5.3
169.12257	8.4
172.05013	0.6
179.10617	0.8
181.12265	1.2
183.13831	1.2
187.10899	0.8
191.10480	0.8
196.82747	0.7
197.11765	87.8
198.12120	4.3
199.13321	2.8
201.09003	0.7
205.12073	1.1
207.10234	1.1
209.15408	1.7
211.13347	9.1
215.10492	9.8
219.09998	5.4
223.16814	0.9
227.12822	1.8
231.09991	1.4
233.11552	88.0
234.11885	5.9
247.20584	0.8
251.11377	0.9
251.16524	1.7
255.13609	0.9
259.09262	0.8
263.20135	3.0
265.18106	2.1
273.14810	1.1
273.18433	1.1
291.19647	18.8
292.20120	1.1
296.03809	0.7
309.20703	100.0
310.21091	7.9
313.17776	4.8
331.18936	10.5
332.19330	1.0
431.22745	2.1
445.24329	3.7
446.24753	0.9
543.32056	1.3
577.82312	0.8
641.40540	10.8
642.40985	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90461	1.1
59.01254	1.8
59.13298	1.1
69.03339	1.5
70.13258	1.7
70.13593	5.9
71.04896	3.9
73.67432	1.1
78.95774	5.6
79.49586	1.3
97.02836	2.5
97.06483	2.7
109.06498	2.2
111.08071	4.0
135.11703	1.5
137.09550	2.9
149.13260	1.6
151.07500	2.2
151.11186	1.7
152.99489	5.9
171.10173	2.9
183.13715	1.5
189.40636	1.5
193.08357	4.3
197.11757	10.0
205.15846	1.5
209.15355	2.1
211.13344	2.3
219.09993	10.8
223.16718	1.4
233.11572	1.8
245.11542	9.5
245.19067	2.2
251.16508	7.7
273.14673	1.9
287.16428	2.2
291.19641	15.1
309.20712	100.0
310.20999	7.0
313.17615	6.5
331.15149	3.3
331.18781	11.4
387.30307	1.6
502.94437	1.3
641.40155	8.9
642.40289	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	641.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54883	0.8
53.00687	0.8
57.03315	2.2
59.01255	1.3
67.84733	0.9
69.44364	7.3
71.04535	1.0
71.04896	12.0
72.40929	0.9
78.95039	0.8
78.95750	1.3
87.28599	0.7
93.03331	2.0
93.06952	1.1
95.04884	1.2
96.95876	1.2
97.06467	4.9
107.04890	2.1
119.04925	1.8
119.08525	1.8
121.06448	1.1
121.10123	6.9
123.08073	2.0
124.58570	0.8
125.09578	6.7
127.07491	1.1
136.31676	0.8
137.09604	10.3
138.72789	1.1
147.08020	4.3
151.50250	0.8
152.99475	1.7
163.47488	0.9
165.09045	1.1
169.89896	0.8
171.10182	23.5
179.10582	1.0
179.12939	0.9
181.12222	1.5
184.49368	0.8
185.11758	10.4
187.14804	0.8
193.08398	1.8
195.13612	1.1
197.11685	1.4
207.09998	4.5
207.13741	1.2
209.11821	1.5
211.13333	1.9
219.13821	1.2
227.17905	1.2
235.17212	1.1
237.14980	2.5
243.17575	1.5
244.80406	1.1
245.19073	8.2
247.20692	0.9
251.16489	20.7
252.16713	1.6
255.13722	2.0
257.11499	0.9
273.14651	1.2
283.13062	1.5
284.13998	1.9
291.19666	34.2
292.20007	2.5
295.16779	1.5
309.20706	79.9
310.21024	7.3
311.16223	1.9
313.17853	100.0
314.18182	8.2
331.18875	23.0
332.19397	2.3
375.17789	3.7
641.40277	56.3
642.40607	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04984	5.4
52.31092	4.4
59.01253	4.6
65.93812	4.2
78.95782	96.1
110.32944	4.2
136.93105	9.4
139.92506	4.4
147.27307	4.2
150.45447	4.8
152.92644	7.5
152.99478	17.6
167.37990	4.2
178.94165	21.7
194.93697	53.4
196.95282	5.3
208.24310	4.1
210.98683	4.8
214.24678	4.2
229.52374	5.4
250.96432	8.2
255.23221	10.9
268.97424	12.2
282.50693	4.5
282.98877	15.3
325.00031	17.8
343.01132	100.0
375.16373	8.1
521.21967	13.5
641.38239	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	641.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15364	0.4
59.01244	0.9
60.84508	0.4
63.95646	0.4
65.30823	0.4
65.54537	0.4
69.03335	2.5
69.85503	1.9
75.62514	0.4
79.89561	0.4
80.67013	0.4
84.86452	0.4
93.03352	0.8
95.04908	0.4
103.10867	0.5
106.04192	0.4
107.04910	0.4
121.06484	0.8
169.47998	0.5
187.14813	0.9
195.13873	2.6
203.14337	1.7
204.15147	0.6
205.15919	8.2
206.16226	0.4
207.13818	0.9
207.17422	0.8
215.10503	0.9
217.12056	2.3
221.15445	1.0
223.17026	4.4
231.10115	0.5
233.15436	3.1
235.13197	0.7
245.11412	0.5
245.15233	0.5
247.09509	1.8
249.11166	0.8
251.16518	11.8
252.16786	1.0
255.13661	5.1
269.11710	0.5
271.13101	1.3
273.14734	100.0
274.15134	7.0
279.12180	0.8
289.13028	0.5
291.14554	3.3
291.19656	1.7
309.20731	28.7
310.20932	2.6
331.18967	4.6
519.75104	0.4
641.40057	2.1
642.40039	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	5.3
61.88161	1.9
61.98692	2.6
64.26855	1.6
66.74882	1.6
71.01237	6.9
77.99303	1.6
78.95783	2.4
79.17830	1.6
82.22002	2.2
83.04939	2.0
87.92413	3.8
93.03316	4.6
95.04897	50.6
96.05296	2.4
103.91905	21.1
104.92698	18.9
111.00734	2.0
118.53061	1.7
123.77325	1.7
123.94547	3.0
127.07541	4.6
129.09070	1.9
141.09109	2.4
158.18579	1.8
163.04651	1.8
163.34824	2.1
167.10779	2.3
170.96588	1.7
171.10063	3.0
173.11937	1.6
177.12770	3.0
178.68654	1.9
179.14310	3.3
195.13838	11.0
197.02710	20.0
201.01918	1.7
205.12283	5.2
207.13904	2.2
209.11745	2.8
211.13237	2.1
219.30063	1.7
223.13350	19.3
224.13631	2.0
225.11295	2.1
275.03842	2.7
277.05270	23.0
277.21802	2.0
278.05844	3.5
279.06866	87.3
280.07175	7.8
281.04782	2.6
281.08228	2.9
293.04813	13.5
293.21240	9.1
295.06329	7.3
305.08502	2.4
309.04550	2.4
310.05292	3.0
311.05884	9.5
325.18405	74.0
326.18805	7.9
349.07376	4.5
377.10190	3.2
380.12836	6.6
382.07220	1.9
391.12317	2.2
417.21094	7.8
443.18936	2.7
485.20154	2.4
503.20859	14.4
504.20435	3.0
534.19360	2.1
543.28143	3.0
554.26672	10.0
568.59131	2.3
571.26996	4.5
572.27948	38.1
573.28357	5.3
586.25964	26.1
587.26331	3.5
604.27039	100.0
605.27570	17.2
641.35077	80.4
641.44855	3.2
642.35547	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	641.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.8
57.03322	2.2
58.00455	1.2
59.01249	35.8
61.98660	1.0
69.03337	1.0
71.01254	26.3
72.99177	3.7
73.02815	15.0
75.00740	1.1
75.61575	0.7
78.95782	1.2
80.96388	3.2
83.01257	4.8
85.02822	10.7
85.99981	1.1
87.00757	8.2
87.04379	2.6
88.31907	0.8
89.02320	9.2
94.97988	0.9
96.95866	0.8
97.02832	1.6
98.20532	2.5
99.00752	1.4
101.02309	18.5
103.03880	4.2
107.04901	1.3
111.92836	1.7
113.02325	6.1
115.03918	4.0
119.03394	2.9
122.06033	2.4
125.02309	2.2
131.03401	6.9
132.04436	2.6
135.04419	23.1
143.03381	6.8
145.04938	1.2
152.07068	2.5
159.04466	1.8
163.06055	1.9
173.05962	1.0
173.09750	1.0
174.06813	4.7
175.07518	2.3
188.08353	1.7
189.09134	34.5
190.09442	1.8
195.10281	1.0
205.07150	6.6
256.14685	3.6
258.16202	4.6
274.15750	15.3
275.16241	1.3
285.12482	1.0
289.18185	3.8
299.10312	1.2
436.20972	10.7
437.21262	1.1
451.23276	5.4
480.61417	0.9
513.45978	0.9
525.66516	1.0
565.23682	1.0
582.26880	7.3
597.29401	32.2
598.29541	5.0
609.23389	1.4
623.27173	5.3
641.28174	100.0
642.28497	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	641.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03725	2.0
52.49931	1.9
57.02531	2.0
57.03338	2.4
59.01250	22.4
61.98693	9.0
65.00185	4.4
71.01253	17.6
71.57568	3.3
73.02824	2.2
75.00727	2.1
75.15939	2.0
78.95763	8.2
79.95601	7.8
80.04935	11.7
80.96387	20.3
85.02826	11.6
87.00737	2.2
87.33387	1.9
87.43916	2.0
89.02312	3.7
94.06494	3.8
96.95897	16.4
97.02815	4.1
101.02321	4.9
101.40395	2.1
104.04985	2.8
106.06493	4.8
107.03638	7.6
111.00741	3.9
120.04394	3.4
121.05269	2.8
122.06012	53.5
132.04449	3.8
133.04967	4.3
134.06004	16.3
139.02649	4.6
148.03944	5.4
152.07074	73.3
160.06297	6.5
161.04631	3.3
165.01860	17.0
171.10167	7.1
172.94994	2.4
174.05498	4.0
190.05141	3.1
191.02010	3.3
193.01355	4.4
195.10255	4.3
197.11757	6.6
199.09589	2.3
201.11220	3.9
207.10210	5.1
209.11743	8.6
211.13339	5.3
212.04793	3.4
213.10347	28.7
214.10422	2.2
223.08699	5.0
225.00703	2.7
225.11235	8.5
226.11090	3.1
239.11884	23.7
241.13409	19.7
245.12941	8.9
251.11908	6.0
253.09540	2.6
265.09720	2.6
277.09677	4.2
278.10449	4.5
279.11765	3.0
285.12424	68.9
286.12802	7.6
293.12909	9.1
295.10849	4.7
296.11356	2.7
313.11908	7.5
316.14429	3.1
323.10428	12.5
323.16678	2.9
325.11862	3.5
328.10831	7.7
332.17480	4.0
342.12381	4.5
343.13055	8.8
344.13977	4.8
355.12903	8.7
356.13800	5.4
356.17776	4.9
357.14685	6.0
358.15634	30.5
359.16046	5.5
370.11761	4.6
381.29233	2.4
384.13379	6.5
385.14175	3.9
397.13919	5.2
398.14871	3.6
400.16724	25.5
401.16956	2.9
412.16635	5.9
461.20236	2.9
471.15488	12.9
495.12964	2.3
497.25586	6.1
509.22879	3.1
510.41632	2.2
521.25525	4.7
523.23505	24.7
524.23828	5.0
534.43524	2.4
537.25153	3.1
559.25946	5.9
565.24475	91.1
566.24982	16.4
566.32520	3.3
568.22998	13.2
569.23535	2.9
597.16022	19.8
597.26154	4.4
598.16339	3.6
609.23529	100.0
610.23816	19.4
641.25775	43.0
641.35559	2.6
642.26263	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	641.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	12.4
67.32230	1.0
71.01243	2.4
71.45393	2.0
79.95606	1.1
80.04919	10.9
84.72314	0.9
85.02810	1.6
87.95785	0.9
94.06499	3.9
100.68357	0.9
104.04954	4.8
106.06481	4.9
106.68713	1.1
107.03644	6.6
116.96053	1.0
120.04457	2.0
120.08088	2.5
121.05212	3.0
122.06007	48.5
123.06327	1.6
124.07584	1.1
130.06497	2.1
132.04442	3.1
134.06006	14.9
142.87070	1.0
148.03929	3.3
150.05591	1.8
152.07077	54.6
153.07411	2.6
160.03951	2.4
160.06303	9.4
161.04648	1.2
162.05525	1.7
164.07106	1.2
171.10164	1.8
174.05559	5.3
175.42244	1.0
190.05106	3.0
209.11850	1.1
211.08978	1.2
211.13458	1.7
213.10274	40.1
214.10609	2.6
223.08769	3.1
224.09357	2.1
225.10341	2.9
226.11012	4.0
236.09592	1.3
237.10229	1.8
239.11867	22.3
240.12300	2.2
241.13446	20.6
242.13577	1.5
245.12889	10.3
249.06807	1.4
249.10062	0.9
251.11870	5.0
265.09860	3.4
267.11386	2.0
277.09729	1.2
278.10260	1.3
279.11365	1.4
285.12448	83.4
286.12787	5.7
292.08453	1.2
293.12936	10.5
295.10916	7.7
296.11377	1.8
297.12332	1.1
313.11951	5.7
314.12863	1.2
316.10962	1.2
316.14511	2.2
323.10425	12.2
324.10751	2.2
325.12051	4.2
326.12692	1.6
328.10916	5.6
328.14496	1.9
329.11646	1.2
330.12411	1.6
330.16006	1.1
332.17752	2.8
339.09842	2.1
340.14667	1.5
341.11481	1.8
342.12439	3.6
343.13208	3.8
344.14005	3.5
355.12888	10.1
356.13928	2.3
356.17706	1.8
357.14743	4.4
358.15579	27.2
359.15909	2.8
370.11896	3.8
372.17386	2.3
378.19089	1.1
384.13391	5.8
385.14139	3.5
386.48633	1.2
398.15015	2.3
399.16342	1.6
400.16669	18.8
400.21799	0.9
401.16953	2.8
412.16660	7.2
497.25681	3.3
521.25433	2.1
523.23499	13.8
524.23853	4.3
537.25006	1.3
541.24609	2.0
565.24506	100.0
566.24847	20.0
568.23065	4.4
581.23724	1.5
591.22290	1.7
609.23486	99.1
610.23840	21.3
610.33661	1.1
641.26202	19.6
642.25806	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	641.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	2.6
59.01256	7.6
61.98697	1.9
62.42618	1.4
69.03326	1.6
71.01250	3.3
71.04915	1.5
71.58134	2.4
72.99203	2.2
78.95779	95.9
83.04890	3.9
85.08300	1.5
87.15383	1.6
93.03349	3.6
95.04910	2.8
96.95903	7.9
96.96851	15.8
97.06481	2.2
99.04401	2.6
109.06452	3.7
111.04440	1.7
117.67280	1.6
119.04935	3.0
121.02853	5.0
123.08067	2.0
130.11484	1.6
131.04926	3.5
135.04404	5.9
135.08218	2.0
137.02304	1.5
147.04431	14.0
149.06076	2.0
152.99495	93.7
153.99876	1.7
165.05524	2.8
166.16454	1.7
171.00572	3.9
171.10225	4.8
181.12314	1.8
195.13802	2.7
197.11815	2.3
201.11246	3.1
207.13914	2.1
209.11874	2.0
209.15587	1.6
223.00015	3.3
225.14957	5.6
226.06326	2.4
237.14844	8.8
241.01134	23.8
249.14972	2.0
283.09567	2.6
289.18091	3.0
297.11475	2.6
307.19031	2.9
315.04971	1.9
325.20239	20.4
337.10052	1.9
350.01932	1.9
359.12885	1.9
397.14282	1.7
413.13904	1.9
425.14124	1.8
443.15216	1.9
461.19556	2.5
475.18240	2.0
479.20505	17.4
480.21054	2.1
493.18225	2.3
549.19318	2.0
552.27313	1.9
561.18787	2.1
579.20447	8.3
580.20380	2.0
609.21191	2.1
611.22888	3.3
623.23505	3.2
641.25751	100.0
642.26172	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	641.245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01733	1.1
59.01254	12.3
61.66544	0.9
61.98691	1.4
62.87100	0.9
69.03324	1.5
69.47726	8.6
71.01243	8.5
72.99174	2.3
73.02826	4.9
75.00738	1.3
78.95780	1.8
80.96389	1.4
83.01263	2.1
85.02821	7.5
89.02326	2.9
93.54322	1.1
96.95877	4.1
97.02830	2.5
99.04390	16.4
101.02316	5.7
103.03856	1.1
107.04903	4.3
109.02822	1.7
111.04414	1.4
113.02309	1.2
116.92815	0.9
121.06490	1.3
122.03622	35.3
122.06006	2.4
123.04419	1.4
125.02351	1.8
127.03863	1.0
129.01808	1.6
134.03604	1.1
135.04413	71.6
136.05215	20.8
137.05988	11.8
148.05209	16.2
149.06010	5.6
151.03897	1.5
152.07045	1.5
152.99483	1.7
159.04491	2.1
163.07491	2.1
173.05898	1.1
174.06789	2.0
175.07582	4.7
176.08348	9.6
177.09111	12.3
188.08368	2.1
189.09140	21.8
190.09518	1.5
201.09193	1.8
209.02989	1.1
217.12425	1.1
222.95770	1.1
230.13083	27.5
231.13452	2.7
244.14655	4.2
245.15434	78.9
246.15758	4.6
249.14871	1.2
259.13330	4.3
271.13583	1.4
277.14429	1.4
288.13672	3.9
289.14456	63.6
290.14597	4.9
315.12354	7.5
407.43094	1.1
597.25519	88.0
598.25958	11.5
623.23358	6.1
625.17969	2.5
627.55872	1.0
641.24506	100.0
642.24805	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	641.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30240	2.5
59.01238	9.2
63.14893	2.2
65.00188	9.3
65.99133	2.5
69.69530	9.7
69.69935	6.0
71.01254	6.3
83.01225	3.5
85.02803	4.8
87.26113	2.1
89.02319	4.7
95.01261	4.8
97.02824	3.4
99.00746	6.5
101.02276	3.3
106.00491	2.8
107.01249	8.8
109.02832	11.0
111.00770	12.3
115.40926	2.3
120.99173	2.3
121.02805	3.9
123.00765	9.8
124.01521	2.2
124.98744	3.1
125.02332	5.1
133.02794	2.3
135.00771	3.4
136.43771	2.1
137.02281	2.6
139.00237	9.8
141.01820	2.3
143.04845	2.7
145.02913	2.5
148.01543	2.7
149.02368	5.5
149.99486	3.2
151.00275	29.0
152.01089	3.5
153.01836	4.1
153.99078	2.4
154.99759	2.8
157.02765	2.5
159.04410	7.2
161.02328	6.6
163.00253	7.6
163.03827	2.4
163.11284	2.4
165.01863	2.8
166.99760	4.8
168.00529	2.6
169.01353	3.8
171.04352	4.5
173.02318	3.2
174.03114	3.0
175.03915	7.2
177.01865	2.6
177.98962	8.0
178.99763	26.5
181.12230	5.0
187.03885	10.0
188.04231	2.7
189.01898	5.8
190.02708	3.1
191.03407	2.8
193.01299	4.5
194.99243	2.4
199.03897	8.4
199.13316	9.9
201.01955	6.1
202.02646	3.6
203.03453	11.9
205.01379	4.8
206.99249	5.0
207.02847	2.5
207.10176	9.5
208.00023	3.2
209.00819	6.6
213.01936	4.0
215.03491	11.4
217.01381	4.2
219.03029	3.4
222.98679	3.1
225.11281	22.9
227.03459	4.7
230.02156	3.0
231.02853	10.9
232.03656	6.3
233.04439	8.7
241.01463	2.9
243.02972	19.9
243.12312	6.5
245.00978	3.6
245.04424	4.9
247.02374	3.1
255.02991	3.2
257.00851	2.7
258.01804	2.8
259.02405	13.1
260.03119	3.4
261.03955	4.6
270.01663	4.9
271.02481	60.5
272.02884	4.7
286.01138	5.5
287.01959	53.3
288.02521	9.6
289.03513	8.9
297.00348	8.6
299.01965	27.7
300.02765	12.0
301.03470	9.6
314.00565	3.1
315.01465	100.0
316.01932	9.9
317.02905	4.4
332.01682	8.2
333.02356	8.1
404.36050	2.6
408.41708	2.6
501.11865	4.8
505.12015	3.8
529.12390	2.7
541.15723	3.6
595.13513	3.0
597.14429	4.4
608.13519	4.6
623.12494	13.9
623.25403	3.7
641.13525	41.6
641.26385	34.2
642.13879	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	640.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44565	0.1
53.86639	0.1
53.95560	0.1
59.01257	1.7
61.98717	0.6
63.61056	0.1
63.98792	0.1
65.17799	0.1
67.63252	0.1
69.03419	0.1
71.01248	0.9
71.57574	0.2
72.99181	0.1
73.02823	0.5
75.00751	0.2
78.95775	0.4
79.95608	2.9
83.01231	0.3
85.02812	0.8
89.02328	0.2
94.97964	0.3
96.95891	100.0
97.92989	0.2
97.95834	0.3
101.02322	0.5
106.50197	0.1
111.00742	0.1
113.02317	0.2
114.93295	0.9
122.06040	0.1
126.99489	0.2
133.04971	0.2
136.05246	0.1
141.01591	0.2
147.02875	0.1
160.97588	0.1
161.04483	0.2
171.10240	0.2
191.01926	0.4
209.11812	0.4
211.13342	0.3
259.01254	0.3
279.11224	0.1
390.40814	0.1
554.04974	0.1
554.12360	0.7
554.20709	0.2
639.34711	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	23.1
69.27985	14.1
69.28373	100.0
71.01242	10.0
71.70568	8.5
78.95776	32.2
82.95250	11.1
101.02296	11.1
116.92772	47.8
117.92737	17.8
152.99500	34.0
186.19814	10.0
249.32899	10.5
279.23392	14.4
441.67648	10.2
492.37473	10.9
498.31360	9.7
639.37390	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4119
Annotation	Mosesin 4
Peak:m/z	Relative Intensity
54.67696	1.2
55.01751	1.7
57.03335	2.7
58.63512	1.1
59.01253	20.6
66.60899	1.0
70.44629	2.6
70.45016	2.5
71.01259	27.5
73.02818	9.5
78.95777	1.2
83.01258	5.1
85.02821	12.3
85.99946	1.3
87.00741	1.2
89.02330	8.8
95.01282	2.3
99.00766	4.1
101.02323	23.2
113.02335	9.0
113.48573	1.1
119.03390	3.4
119.60503	1.2
152.99492	2.0
159.02904	1.2
161.04475	3.3
289.25528	1.5
291.84564	1.2
333.24582	1.5
415.54507	1.2
433.04330	1.4
459.35217	2.4
574.35388	1.2
621.39508	3.1
639.41223	100.0
640.41632	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	639.2787
Annotation	Scortechinone S
Peak:m/z	Relative Intensity
52.53077	1.5
54.85302	1.8
59.01244	1.8
59.53341	1.3
71.01235	3.6
71.04903	11.0
71.57936	3.1
72.99168	1.6
78.95776	77.5
88.98687	3.3
93.03310	3.3
96.95907	2.6
96.96848	13.2
97.06467	3.2
99.86189	1.6
101.65921	1.5
107.04907	1.6
109.66306	1.4
119.04900	5.3
121.02836	6.0
123.08014	2.7
125.09642	2.0
131.04907	3.0
135.04413	1.7
147.04442	2.8
152.99492	100.0
163.03928	3.1
171.00536	3.4
177.12691	3.8
182.17815	1.6
207.13750	2.2
223.00067	9.7
241.01144	26.6
249.09380	1.8
265.18082	4.5
273.18509	1.7
291.19626	14.7
305.21155	3.3
315.04788	13.9
323.22290	15.2
477.22644	2.6
487.38950	1.7
533.19525	2.3
577.18555	4.0
584.11151	1.8
607.19702	3.7
639.27960	94.8
640.28424	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08532	0.5
54.76495	0.6
55.01751	1.4
57.03315	2.3
58.00474	0.8
58.86757	0.6
59.01251	22.9
61.76380	0.5
61.98695	1.8
64.47754	0.5
65.03834	3.1
69.86094	1.4
69.86507	1.7
71.01251	22.6
72.85407	0.5
72.99185	3.0
73.02819	5.1
73.88671	0.5
74.30708	0.5
74.31152	0.4
75.00748	0.6
76.54514	0.5
78.95774	2.5
79.91016	0.5
80.02502	0.6
80.96399	1.3
81.03333	1.6
83.01251	3.3
83.04900	4.3
85.02821	9.7
85.06453	0.8
86.00000	0.8
87.00751	6.9
89.02314	9.5
91.03912	0.6
91.05416	0.8
93.03323	1.2
94.06551	0.5
95.01259	1.6
95.04889	1.5
96.95882	1.8
97.02802	1.5
97.06459	3.5
99.00745	1.6
99.04374	1.0
101.01684	1.1
101.02320	15.3
105.06960	1.0
105.69637	0.5
106.06523	2.2
107.04932	0.7
109.02821	0.6
109.06479	2.2
111.04402	1.2
111.08042	3.4
112.93582	0.9
113.02331	7.2
115.03899	0.6
119.03383	1.7
119.04928	1.3
121.02831	0.7
122.05968	1.4
123.08052	2.8
125.02348	1.4
125.08719	1.1
125.09617	17.5
126.09915	0.8
127.11185	0.8
129.01843	0.8
131.03435	0.6
133.04919	0.7
134.06003	0.7
135.08057	0.9
137.09668	1.5
143.03366	0.9
145.04988	3.1
151.11230	0.9
152.07016	0.7
152.99490	2.2
155.10710	0.5
159.11668	0.6
161.04454	4.1
161.05748	0.8
163.11174	1.4
165.12694	0.7
171.10188	32.1
172.10561	1.6
173.13315	1.1
177.77051	0.5
179.05592	1.2
183.13795	1.2
185.11797	3.4
187.09650	1.4
187.11256	0.7
187.14886	1.3
189.12802	0.6
189.16324	1.7
191.01871	1.1
197.13295	0.9
201.12749	1.6
203.14185	0.6
205.15942	2.9
207.13832	3.8
209.11784	17.8
210.12073	1.4
211.13327	22.0
212.13680	1.1
213.12787	0.6
213.14850	1.1
215.14360	14.0
216.14751	1.1
217.12228	1.0
221.15460	1.9
231.13934	3.1
233.15437	49.1
234.15724	3.2
235.08228	8.5
235.13348	3.2
237.14900	0.8
239.16508	0.6
247.16994	1.0
249.14944	18.2
250.15218	1.2
251.16435	1.8
253.09294	4.4
257.17511	0.9
265.09955	0.6
265.18353	0.7
267.11984	0.6
279.11307	0.7
283.10950	2.7
323.10205	0.6
323.23859	1.7
331.26364	3.9
341.24841	4.6
342.24881	0.7
357.14621	0.6
357.24329	1.1
359.25870	2.2
367.22827	4.7
375.25421	5.6
385.23849	29.5
386.24097	4.1
393.26401	1.9
403.24884	34.5
404.25330	3.8
405.17584	1.0
407.19678	0.8
417.26382	0.9
421.25970	10.1
422.26300	1.5
427.24341	0.8
447.22223	0.8
459.27435	1.3
477.28513	1.5
485.23938	1.9
563.22705	4.1
564.23010	0.8
603.32452	0.8
604.97437	0.6
607.21790	1.8
611.34528	2.3
621.32776	100.0
622.33167	16.8
622.41089	0.4
639.26440	2.0
639.34064	26.2
640.25269	0.8
640.34320	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	639.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45510	1.4
53.36460	1.5
57.83379	1.7
59.01254	18.6
70.77526	4.5
71.01259	26.8
73.02798	3.8
83.01273	3.1
85.02820	7.4
89.02305	13.2
95.01283	3.8
101.02333	13.4
106.04135	1.6
107.04909	10.2
113.02316	9.9
119.03406	6.6
120.01141	5.5
134.03630	42.4
134.58089	1.6
135.04427	41.1
147.04408	3.0
149.05998	2.0
161.04462	3.7
165.05458	6.6
179.05542	7.2
195.08075	3.6
239.10686	2.1
267.10260	100.0
268.10547	7.0
429.15469	21.9
477.17682	92.0
478.18054	10.3
636.78088	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	639.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25185	1.3
55.74242	1.3
57.03327	1.2
59.01254	16.1
62.12362	1.3
64.29825	1.3
70.88174	3.9
71.01254	15.7
72.99176	1.2
73.02847	1.5
79.69931	1.2
85.02823	4.5
87.33087	1.2
89.02319	21.4
91.58588	1.4
93.03363	2.4
94.20520	1.2
95.01263	1.5
96.64646	1.1
101.02327	8.2
106.04115	2.1
107.04913	28.7
113.02328	7.9
119.03398	7.6
133.04886	1.4
134.03636	16.1
135.04416	100.0
136.04764	2.7
143.03413	2.2
161.04491	2.4
161.65157	1.3
165.05498	30.0
166.05791	1.6
179.05571	9.0
231.40891	1.3
239.10718	1.4
243.51448	1.4
267.10269	30.7
315.12344	2.7
429.15506	10.7
477.17673	68.1
478.18048	8.5
644.44128	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	639.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39608	6.1
59.01256	83.3
61.98689	8.7
70.14418	25.5
71.01257	80.5
72.99197	11.1
84.02689	6.2
89.02322	100.0
95.01297	9.2
98.20431	7.6
101.02322	34.9
113.02350	27.2
119.03402	43.5
119.04866	14.2
135.04434	5.8
143.03410	7.4
147.04427	95.2
161.04512	13.5
174.79022	5.6
179.05583	37.1
187.81279	5.6
351.21539	6.3
355.34531	6.7
591.20319	7.8
639.23016	20.2
640.23608	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	639.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00462	5.4
59.01252	80.8
60.09064	2.4
60.56892	2.5
69.46168	16.9
71.01257	78.9
72.99175	6.5
73.02822	2.8
83.01281	2.9
85.02837	10.8
87.00755	5.8
89.02319	100.0
95.01247	3.6
101.02328	41.9
113.02334	34.1
119.03403	45.5
119.04918	6.5
131.03413	6.0
135.04446	5.0
143.03403	11.1
143.04446	2.7
146.03882	2.7
147.04454	12.9
149.04460	4.3
161.04433	12.9
161.05817	2.0
175.42918	2.4
177.89394	2.4
179.05515	30.1
267.10300	4.4
285.82443	2.8
400.82199	2.8
406.21848	2.3
528.57233	2.5
591.20953	6.7
613.49640	3.4
639.23071	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	639.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52992	0.3
59.01250	1.6
61.98707	0.6
71.18362	0.5
71.18714	0.6
72.99184	0.4
75.00739	0.5
78.95798	1.2
80.17625	0.3
83.39871	0.3
85.02822	3.4
85.05991	0.3
89.02329	0.4
92.19640	0.3
93.03336	11.0
94.03724	0.3
95.01273	0.3
96.95881	4.7
101.02344	0.6
108.02068	0.4
111.00761	2.0
113.02328	0.7
121.02873	1.0
129.01828	0.5
132.82344	0.3
136.05276	0.3
143.04890	0.4
145.02869	1.0
147.02892	0.4
148.01541	0.9
149.02376	0.8
152.07121	0.4
152.99529	0.9
153.05502	0.4
154.99756	0.4
161.02222	0.3
163.00252	0.7
171.04466	1.3
171.10161	0.7
173.00816	1.0
173.02235	0.3
174.01880	0.5
175.53758	0.3
176.40697	0.4
176.88885	0.4
177.01801	1.5
185.11736	0.3
187.02547	0.4
191.01889	1.3
197.05937	0.3
199.03972	0.5
200.04910	0.3
203.07066	0.9
209.03003	0.4
209.11771	1.9
210.12222	0.6
211.03917	1.5
211.13391	0.5
212.04669	0.5
225.11296	0.4
226.02673	0.6
227.03419	1.2
228.04141	1.7
229.04994	0.5
239.03358	1.7
240.04269	0.9
241.04985	0.5
242.02199	0.8
242.05954	0.4
243.06624	0.4
249.15038	0.4
253.05014	0.4
255.02953	7.2
256.03622	1.9
257.04416	0.6
267.02905	2.2
268.03699	0.9
269.04425	1.6
270.05289	1.3
271.03104	0.5
271.06091	8.5
272.06430	0.6
275.07147	0.4
282.01663	0.4
282.05121	0.5
283.02490	4.8
284.03275	0.9
285.07666	2.5
295.10806	1.0
297.03992	1.1
297.07587	0.7
298.04807	2.5
303.06668	0.6
304.07523	0.7
305.08340	0.3
311.01761	0.4
313.04004	0.4
313.07224	2.4
319.06119	0.6
320.06888	0.7
321.08783	1.4
328.05966	0.3
331.06229	1.3
332.06833	1.1
333.07391	0.7
339.09860	0.8
345.07639	0.5
347.05508	1.9
348.06351	6.7
349.07092	2.0
351.05078	0.5
359.05673	1.0
360.06311	2.6
361.06894	1.0
363.08646	1.0
375.08795	1.3
376.05746	4.6
377.06506	4.8
378.06732	0.4
389.06415	1.7
390.07288	0.6
391.08206	3.3
392.08878	1.3
403.24554	0.4
404.04684	3.1
404.09262	1.6
405.06024	10.4
406.06467	1.0
407.11411	1.2
419.07700	43.0
420.08362	14.8
421.08847	1.2
434.04007	0.7
434.10049	18.7
435.10812	100.0
436.11163	11.2
459.28247	0.5
477.16800	0.6
483.84576	0.3
501.15369	2.0
563.23077	0.9
607.22186	0.5
621.32355	0.7
639.17114	11.8
639.26740	0.9
640.17499	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	639.1569
Annotation	Rhamnetin -gentiobioside
Peak:m/z	Relative Intensity
59.01235	3.4
65.00191	3.5
69.25947	2.5
69.26352	7.2
85.02839	1.8
89.00233	1.1
91.01792	1.1
92.75240	0.9
93.03333	1.6
97.02791	2.9
102.01822	1.3
109.02829	6.7
111.00723	0.9
121.02831	14.4
126.06540	1.1
139.03918	1.2
147.00764	3.5
149.02383	1.4
151.00304	2.3
163.00273	2.5
163.03897	2.6
165.01836	37.3
166.02158	1.6
167.03389	1.4
175.48619	0.9
183.02911	1.8
190.99690	1.6
193.01332	4.4
197.11784	1.9
198.02975	1.1
199.03888	1.7
206.02060	1.9
207.02827	1.0
214.02608	4.0
226.02612	3.0
227.03334	1.8
228.04189	1.2
242.02174	17.6
243.02921	6.1
244.31139	1.0
254.02142	3.5
255.02873	3.8
256.03555	1.3
257.04581	2.1
269.04416	2.7
270.01660	34.7
271.02441	46.5
272.02988	4.5
285.04022	85.0
286.04352	4.9
287.05591	2.7
299.01968	37.0
300.02686	16.6
313.03525	27.0
314.04291	40.6
315.05069	87.0
316.05441	4.8
316.92426	1.1
357.06021	2.5
423.80228	0.9
433.07193	2.2
461.07251	7.3
476.09531	25.0
477.10321	85.4
478.10703	8.7
639.15625	100.0
639.23962	3.9
640.15875	12.4
640.25262	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	639.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	2.7
65.00191	3.0
71.01255	2.5
71.57558	0.7
71.68430	0.3
72.99193	0.5
75.00761	1.2
78.95784	0.8
85.02833	2.9
89.02329	2.0
90.17676	0.4
93.03343	1.6
96.95908	1.4
97.02845	1.5
99.04394	0.9
101.02328	0.9
109.02853	1.2
111.00763	0.6
113.02332	0.5
116.92724	2.1
119.03410	0.7
121.02840	9.8
128.03403	0.4
129.01860	0.6
133.04959	0.9
135.04474	0.7
145.02927	0.4
149.02322	0.8
149.99510	1.3
151.00310	0.9
152.99510	0.6
158.10307	0.4
158.68584	0.4
161.02353	0.4
165.01842	30.9
166.02190	1.4
179.03395	0.6
182.03596	0.5
183.02925	1.1
191.01952	0.8
193.01361	4.7
198.03186	0.9
199.03851	0.4
206.53123	0.4
207.02893	0.5
209.02849	0.9
214.02718	0.8
215.03549	0.5
226.02672	1.8
227.03447	1.3
228.04285	0.6
229.14474	0.7
235.13411	2.0
241.01474	0.5
241.04839	0.5
242.02209	3.5
243.02946	2.0
254.02132	3.3
255.02855	1.6
256.03680	0.7
257.04565	2.5
259.06024	0.6
269.04523	3.3
270.01743	1.6
271.02475	19.0
272.02859	1.9
285.04001	2.3
287.05640	1.6
298.01157	0.9
299.01956	36.4
300.02670	9.2
301.03073	0.6
313.03540	10.7
314.04318	50.5
315.05078	70.4
316.05405	4.7
349.57867	0.5
385.13879	0.6
395.69064	0.4
406.10165	0.4
459.27274	1.7
476.09610	1.6
477.10364	100.0
478.10831	10.7
639.15564	13.7
639.25391	0.9
639.33331	1.1
640.15381	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	639.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	2.7
65.00191	3.0
71.01255	2.5
71.57558	0.7
71.68430	0.3
72.99193	0.5
75.00761	1.2
78.95784	0.8
85.02833	2.9
89.02329	2.0
90.17676	0.4
93.03343	1.6
96.95908	1.4
97.02845	1.5
99.04394	0.9
101.02328	0.9
109.02853	1.2
111.00763	0.6
113.02332	0.5
116.92724	2.1
119.03410	0.7
121.02840	9.8
128.03403	0.4
129.01860	0.6
133.04959	0.9
135.04474	0.7
145.02927	0.4
149.02322	0.8
149.99510	1.3
151.00310	0.9
152.99510	0.6
158.10307	0.4
158.68584	0.4
161.02353	0.4
165.01842	30.9
166.02190	1.4
179.03395	0.6
182.03596	0.5
183.02925	1.1
191.01952	0.8
193.01361	4.7
198.03186	0.9
199.03851	0.4
206.53123	0.4
207.02893	0.5
209.02849	0.9
214.02718	0.8
215.03549	0.5
226.02672	1.8
227.03447	1.3
228.04285	0.6
229.14474	0.7
235.13411	2.0
241.01474	0.5
241.04839	0.5
242.02209	3.5
243.02946	2.0
254.02132	3.3
255.02855	1.6
256.03680	0.7
257.04565	2.5
259.06024	0.6
269.04523	3.3
270.01743	1.6
271.02475	19.0
272.02859	1.9
285.04001	2.3
287.05640	1.6
298.01157	0.9
299.01956	36.4
300.02670	9.2
301.03073	0.6
313.03540	10.7
314.04318	50.5
315.05078	70.4
316.05405	4.7
349.57867	0.5
385.13879	0.6
395.69064	0.4
406.10165	0.4
459.27274	1.7
476.09610	1.6
477.10364	100.0
478.10831	10.7
639.15564	13.7
639.25391	0.9
639.33331	1.1
640.15381	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	639.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.2
59.01248	8.8
61.20076	0.9
65.00206	2.5
65.59109	0.9
70.62029	3.1
72.99193	1.0
73.02792	1.1
74.74972	1.0
75.00742	1.1
85.02827	6.8
87.00732	1.6
89.02302	4.0
89.19736	1.2
93.03312	1.2
96.95863	1.1
99.04414	1.7
101.02295	2.7
108.01963	1.0
109.02823	3.8
109.99966	1.3
110.20862	0.9
111.00774	2.2
113.02306	1.6
116.92747	2.7
123.00756	3.5
124.01543	1.2
125.02303	1.8
136.01605	1.4
137.02321	3.1
137.57161	1.0
139.00267	2.2
139.03856	2.0
143.04907	0.9
149.02287	4.8
149.99507	1.6
151.00291	2.3
152.00964	1.2
153.01808	3.6
163.00266	1.0
164.01062	1.9
164.98152	5.9
165.01854	12.6
165.98924	3.4
166.02568	2.1
167.03447	1.2
169.02995	0.9
171.04388	1.7
175.00258	4.3
175.03909	1.2
176.00957	1.3
177.98958	3.8
178.99805	9.7
179.05513	1.1
180.00571	1.3
181.01364	2.5
185.02406	1.5
187.03911	3.1
189.01854	2.7
191.01872	3.6
193.01323	6.6
195.02895	1.6
198.03119	4.7
199.03955	2.3
201.01833	1.9
209.00699	1.3
209.02827	1.7
214.02631	2.9
215.03416	6.5
221.00810	4.1
222.01636	5.3
223.02371	1.4
225.01891	1.1
226.02632	6.1
227.03267	2.0
231.02914	4.9
232.03401	0.9
235.13316	2.5
241.01180	1.6
241.05081	1.2
242.02110	7.8
243.02963	7.9
245.00932	1.7
245.04391	1.5
254.02184	6.8
255.02692	1.2
256.03683	1.6
257.04373	1.2
259.02353	5.8
269.00858	1.4
269.04507	5.9
269.99072	1.3
270.01639	7.8
271.02460	26.8
272.02948	4.5
273.04053	1.7
274.04456	1.4
281.00687	1.2
285.04074	21.9
286.04529	2.2
287.01971	31.8
287.05325	2.7
288.02646	5.0
298.01178	3.0
299.01813	4.5
301.03485	3.0
302.03989	1.7
303.04694	1.1
312.02621	2.4
313.03525	40.6
314.04074	7.2
315.01480	53.9
315.04971	4.5
316.01996	12.0
316.05356	1.7
317.02594	1.0
329.02905	1.7
330.03790	52.3
331.04541	39.3
332.04852	3.6
459.27399	2.4
477.10162	1.6
503.14124	1.8
595.16339	1.0
607.13568	1.3
639.15564	100.0
639.33722	6.5
640.15723	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	639.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.7
70.59844	0.7
71.01250	1.5
71.04063	1.2
75.00742	0.8
86.03120	0.5
93.03336	12.9
96.95901	2.1
100.22598	0.5
101.02292	0.7
116.92697	0.7
123.04424	1.4
132.02078	0.9
133.02814	2.2
135.00766	2.8
143.04903	4.9
148.01526	0.9
149.02309	0.9
155.04936	1.2
157.06415	0.6
163.00288	17.8
164.00647	0.8
169.06448	1.4
171.04422	1.8
172.85095	0.6
173.05991	2.0
176.01117	3.9
177.01852	0.9
180.05730	1.2
181.06516	1.7
183.04416	2.4
185.06007	1.0
191.01865	0.6
195.04462	2.1
196.05241	2.5
197.05997	11.2
198.03197	2.0
198.06345	1.6
199.03938	26.8
200.04343	1.6
201.05473	4.8
204.00558	1.6
209.06000	0.9
210.03058	0.7
211.03947	2.3
212.04671	1.6
213.05544	4.4
223.03957	2.5
224.04752	4.5
225.05525	11.7
226.02634	0.7
227.03448	5.7
239.03493	5.1
240.04268	4.1
241.05034	13.1
242.05278	1.3
251.03450	1.0
253.05042	4.9
254.02222	1.4
255.02936	2.5
267.02969	37.4
268.03555	5.5
269.04538	24.5
270.05029	1.3
284.03308	0.9
285.04105	1.8
295.02432	8.9
295.99915	1.4
296.03262	27.6
297.04028	100.0
298.04343	7.7
337.09131	1.0
339.05127	1.1
390.07486	15.4
391.08234	51.9
392.08554	6.6
489.11057	0.9
501.10382	83.4
502.10721	12.0
547.94122	0.7
595.14545	57.3
596.14893	10.2
639.36047	1.5
664.71704	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	0.9
57.03314	1.4
59.01250	9.7
61.94619	0.7
65.00211	0.8
71.01260	5.4
71.57512	1.3
71.57879	1.2
72.99178	3.4
73.02795	1.1
75.00747	11.8
78.95772	3.2
80.96397	1.0
83.01247	0.9
85.02822	9.1
87.00719	1.1
89.02316	3.1
93.03345	9.4
96.95883	2.9
101.02302	2.3
108.02035	1.0
111.00764	2.8
113.02299	1.7
116.47348	0.9
119.03395	1.1
119.04923	1.0
123.04427	0.8
129.01804	0.9
132.02075	3.0
133.04951	8.5
139.24066	0.9
145.63034	0.9
147.02881	1.6
147.04448	1.5
147.06447	4.6
151.00281	1.0
152.99435	1.2
163.00224	2.6
169.06493	1.9
171.04453	6.1
174.03149	0.8
185.06161	0.9
189.05466	1.1
191.01973	4.3
197.06007	1.1
199.03899	1.1
201.05498	1.0
209.03014	1.2
209.11806	2.1
211.03995	2.2
212.04552	1.0
213.05490	2.6
214.06229	0.8
219.27347	0.9
225.05537	1.9
227.03403	1.8
228.04163	4.4
229.04955	2.7
239.03458	6.3
240.04204	1.9
241.04977	10.4
253.04938	1.7
255.02948	2.9
256.03702	1.3
257.04535	4.0
267.02960	5.9
268.03668	5.3
269.04544	6.8
270.05063	1.6
271.02429	2.6
285.04047	2.1
296.03308	3.7
297.03928	7.0
299.02036	4.1
314.04224	4.5
315.05005	1.9
333.07672	9.8
361.03082	1.2
361.07245	17.9
362.07669	4.9
363.08533	1.1
387.23718	1.3
389.06381	1.3
390.07440	70.9
391.08200	100.0
392.08560	10.4
459.28122	2.6
501.10324	12.9
502.09937	1.1
519.11615	4.4
595.14502	52.7
596.14838	8.7
628.00928	1.1
639.26324	1.3
639.35760	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	638.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85253	1.1
57.03326	0.9
59.01251	6.8
62.74397	0.9
69.28039	11.4
71.01274	5.5
72.60310	1.0
73.02861	1.3
78.95779	27.3
78.96214	1.8
85.02816	1.4
87.00766	1.5
88.48190	1.1
89.02324	4.9
96.96855	2.7
98.20564	2.2
101.02328	4.4
111.43537	1.0
113.02316	1.9
119.03387	1.2
122.00028	8.3
140.01111	4.2
143.03384	1.2
147.76537	1.0
152.99493	34.8
170.89278	1.6
171.00595	1.5
178.19171	1.0
179.07259	1.0
196.03734	10.7
214.04784	3.8
238.04839	2.0
241.21648	5.6
268.05853	9.8
277.21613	1.4
279.23297	100.0
280.23645	8.5
397.13565	4.2
415.14645	1.4
476.27890	43.8
477.28088	6.2
518.28943	3.5
548.29608	2.1
619.38007	1.5
620.39246	2.0
637.39783	2.9
638.31812	20.1
638.41217	4.9
639.33887	4.3
660.05017	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	638.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.7
63.03675	1.4
63.41294	1.3
67.31452	1.3
71.01265	1.7
71.57651	2.4
71.58008	1.8
78.95779	34.9
78.96218	2.4
89.47393	1.5
112.25478	1.6
140.01060	4.0
152.99492	23.2
157.92828	1.3
167.09279	1.3
174.95967	1.7
183.55403	1.7
196.03743	12.7
214.04828	2.7
238.04889	1.5
268.05936	3.8
279.23306	100.0
280.23505	7.7
476.27823	53.5
477.28119	8.6
518.28888	13.5
590.30011	1.5
638.32977	23.9
639.33258	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	637.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	3.3
57.03308	2.3
59.01251	21.3
60.99172	1.7
71.01252	33.1
71.58009	2.6
72.99174	1.5
73.02817	11.6
78.54841	1.5
78.95779	39.3
79.65567	1.4
83.01257	5.7
85.02823	15.8
89.02317	4.4
95.01270	3.2
96.71218	1.5
96.96873	2.2
99.00735	6.8
101.02330	29.4
113.02325	12.6
129.01810	1.3
152.99493	21.9
161.04456	8.3
171.00571	18.5
185.15686	1.4
209.11766	2.4
255.23196	3.3
269.46295	1.6
322.63284	1.5
341.28412	1.8
409.23636	5.7
413.34265	15.2
414.34778	2.2
491.65005	1.5
546.21527	1.5
555.28058	4.0
575.39581	37.3
576.39893	5.3
580.74261	1.8
637.27972	5.8
637.39496	100.0
638.39496	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	637.3959
Annotation	Filipin II
Peak:m/z	Relative Intensity
51.11531	0.3
54.48405	0.3
55.01762	0.7
57.03339	0.4
57.70441	0.2
58.00476	0.6
59.01256	10.8
61.98740	0.3
69.03339	0.6
69.50356	2.3
71.01258	9.2
72.51448	0.2
72.99191	0.6
73.02827	1.8
78.95789	0.6
83.01249	1.4
85.02833	3.9
85.99972	0.5
87.00771	1.1
89.02322	3.3
94.96848	0.3
95.01289	0.9
98.20518	0.6
99.00794	0.9
101.02332	6.4
102.71243	0.3
113.02324	3.2
119.03437	0.9
121.02851	0.4
149.05988	0.3
159.02901	0.3
161.04448	0.9
177.79297	0.3
193.12315	2.2
211.16985	9.2
211.18929	0.6
212.17355	0.5
216.31961	0.3
245.15463	2.1
261.14957	0.3
263.16525	27.1
264.16959	1.6
321.17014	0.5
425.21848	100.0
426.16525	0.6
426.22180	9.4
475.34286	0.3
487.95322	0.3
560.86121	0.3
605.09851	0.3
619.38239	0.3
637.39594	39.7
638.39972	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	637.3959
Annotation	Filipin II
Peak:m/z	Relative Intensity
55.01766	1.3
57.03322	2.4
58.00475	1.3
59.01250	23.8
60.01590	1.1
61.98682	1.0
69.03314	1.2
69.41553	7.2
69.41978	4.0
71.01254	30.3
72.99196	3.5
73.02831	7.2
78.95776	7.8
83.01271	3.7
85.02822	11.8
87.00767	2.2
88.98660	5.6
89.02311	11.9
93.03363	1.6
95.01270	3.3
98.20519	2.6
99.00780	3.3
101.02318	19.5
113.02341	12.6
117.01854	1.3
119.03407	5.3
121.02865	1.7
124.62791	1.1
126.57365	1.2
147.04478	1.8
152.99483	6.3
153.86401	1.0
159.02878	1.9
161.04480	2.3
171.00488	1.3
210.32277	1.2
319.90744	1.2
392.80383	1.4
429.33514	1.8
439.32184	2.0
457.33279	9.4
475.34213	1.2
482.28867	15.0
514.27606	7.5
538.17566	1.3
601.37579	2.2
619.38422	100.0
620.38788	17.0
637.39618	80.9
638.40302	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	637.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82064	1.1
55.01749	3.3
57.03317	4.7
59.01239	1.1
65.03835	46.0
67.01751	1.1
69.03323	1.6
69.44859	10.9
71.04893	16.4
79.05401	1.2
83.04915	2.4
93.03370	1.7
95.04900	1.2
97.06472	39.6
98.06780	1.2
98.30267	1.2
107.04951	1.2
109.06442	1.9
116.40154	1.2
118.46958	1.1
119.08533	7.8
121.06487	59.4
122.06851	2.4
123.08053	2.8
125.09628	27.8
126.09926	1.5
135.08037	1.4
137.09624	3.3
139.11154	3.6
141.12761	1.8
145.06490	2.3
145.40729	1.3
161.09624	1.9
164.08296	2.2
177.08774	1.6
179.10463	5.9
185.11758	42.0
186.12108	1.3
189.11140	1.7
189.12778	23.7
191.06985	1.4
193.08315	1.5
207.09970	57.2
208.10318	3.4
209.11792	20.0
211.13341	18.1
217.15852	1.9
229.12123	1.4
235.13365	46.3
236.13641	3.5
243.17455	2.4
257.11578	41.6
258.11795	3.1
272.06238	1.1
277.24460	1.4
289.18112	15.9
291.13416	1.2
295.27411	1.3
307.19153	47.2
308.19440	4.0
311.16171	8.3
326.23117	1.2
329.17343	100.0
330.17776	9.0
373.13074	1.2
498.59912	1.3
637.37115	28.8
638.37683	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	637.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38324	0.2
50.71193	0.2
50.80289	0.2
51.11727	0.2
51.80600	0.2
51.96064	0.2
54.47563	0.2
55.01755	0.4
56.12080	0.2
57.03323	0.4
58.00467	1.6
59.01248	33.3
59.98946	0.2
60.01574	0.3
71.01252	23.8
71.57153	0.2
72.01582	0.2
72.99181	5.1
73.02821	0.6
75.00746	4.0
75.84204	0.2
83.01260	0.9
84.81095	0.2
85.02821	4.2
87.00737	1.4
89.02314	28.6
90.02671	0.6
95.01266	1.5
99.00734	0.3
101.02319	16.6
102.02663	0.3
111.00771	0.2
113.02326	11.3
115.00246	2.5
115.03879	1.3
119.03385	12.8
120.03743	0.2
131.03401	1.3
133.01335	3.7
133.04959	26.0
134.05304	0.6
143.03365	1.5
149.04456	1.1
161.04456	1.2
173.93381	0.2
179.05527	2.2
209.03236	0.2
237.06064	1.2
251.04265	0.4
295.10324	100.0
296.10675	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	636.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36103	0.6
59.01235	2.0
69.63091	5.6
78.95781	25.2
83.33660	0.7
88.55238	0.6
96.96835	2.1
103.46896	0.8
140.01077	4.3
152.99489	7.9
155.14333	3.3
183.13882	1.7
196.03780	1.7
199.13245	0.7
201.14900	100.0
202.15237	5.4
209.11720	3.1
211.23941	0.9
255.23296	41.7
256.23651	4.5
281.24820	6.5
370.49359	0.7
391.22461	1.2
395.84607	0.7
452.27936	3.3
521.23779	0.8
619.36273	3.8
636.42676	17.6
637.37549	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	636.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14361	1.0
52.50594	0.9
54.50327	0.8
59.01244	2.6
69.29403	8.7
71.01261	1.4
73.53475	0.9
78.95778	41.8
94.05257	0.8
96.96880	2.2
101.53664	0.9
107.39344	0.8
116.95323	0.8
140.01102	7.3
152.99487	29.2
196.03752	16.0
214.04820	2.9
236.44032	0.9
268.05832	4.4
274.15723	1.0
277.21725	100.0
278.22000	7.9
431.21906	1.8
474.26248	84.9
475.26480	9.7
516.27136	7.6
517.27911	1.0
546.28827	1.5
550.39520	0.9
636.31311	24.3
637.31262	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	636.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30825	0.8
59.01269	2.4
70.24612	1.4
70.25002	2.0
71.01289	3.2
78.84917	0.7
78.95776	29.0
82.70060	0.8
85.02858	0.7
89.02386	0.7
92.35147	0.8
96.96887	2.9
101.02354	2.2
104.56415	0.8
109.81245	0.7
113.02390	1.0
122.00025	10.1
140.01082	3.9
152.99490	35.1
153.99911	0.9
157.29077	0.7
166.81241	0.8
171.00598	1.4
185.15448	3.1
194.02158	1.2
196.03737	12.4
203.22992	0.7
214.04884	4.6
238.04865	2.2
268.05893	11.3
277.21729	100.0
278.22083	10.1
309.99976	0.8
474.26260	53.5
475.26514	6.0
516.27618	4.2
516.34003	0.7
546.28357	1.9
636.31250	23.7
637.31036	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	635.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
65.76288	4.7
70.90516	13.6
78.95780	100.0
96.96819	22.5
101.15257	4.9
102.83065	4.9
128.50003	4.5
142.40536	5.4
152.99522	26.7
174.22144	5.5
199.13417	6.8
255.23236	45.1
256.23642	9.8
279.23306	18.3
327.92856	5.6
391.22614	7.6
407.49316	5.1
466.20447	5.7
467.40485	6.2
500.20053	6.0
635.35858	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	635.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34171	0.3
55.01764	0.5
57.03326	0.7
57.85362	0.2
57.88235	0.2
58.00456	0.4
59.00952	0.5
59.01254	9.8
59.98403	0.4
69.03339	0.7
70.09152	0.8
70.09561	0.4
71.01260	7.1
72.99195	0.4
73.02827	1.4
75.00776	0.2
78.95780	0.8
83.01263	1.8
83.04900	2.7
85.02837	2.6
85.06476	0.4
87.00757	0.7
89.02322	2.6
95.01293	0.5
99.00764	0.5
101.02332	5.4
102.60743	0.2
111.00851	0.2
111.95518	0.2
113.02317	1.9
119.03383	0.5
127.11188	3.7
129.01926	0.3
137.09694	0.4
143.10695	0.9
145.02872	1.2
147.04388	0.6
149.05986	0.3
149.13260	0.3
152.99457	0.3
161.04440	0.6
163.03928	0.5
163.14841	2.6
165.16342	0.6
171.10255	0.3
179.14357	0.4
191.10728	0.2
193.12268	1.9
197.15311	0.4
209.15417	4.3
209.58020	0.2
210.15762	0.3
221.15428	0.2
236.10489	0.3
241.14449	1.3
245.15503	2.3
251.42148	0.2
261.15002	0.3
263.16531	23.0
264.16809	1.5
293.17340	0.3
305.17706	0.4
321.17032	0.4
333.17114	0.4
338.95770	0.3
425.21826	100.0
426.22141	10.7
426.38248	0.3
431.24280	0.7
456.29092	0.3
471.85498	0.3
569.32208	0.3
617.36859	0.3
635.38025	21.3
636.38330	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	635.3799
Annotation	RK 397
Peak:m/z	Relative Intensity
54.96910	1.2
55.01762	2.2
57.03316	1.9
58.00475	2.5
59.01254	67.6
65.93302	1.2
68.99666	1.2
71.01254	51.2
72.99175	5.3
73.02823	3.8
74.41759	1.1
75.00743	1.4
78.95770	7.6
83.01276	4.2
85.02826	15.3
87.00717	3.1
88.98685	3.7
89.02318	47.2
93.03357	1.1
95.01265	5.3
96.95906	2.5
96.96816	1.4
99.00793	3.0
99.04375	1.5
101.02324	31.6
113.02333	21.1
119.03389	20.1
143.03366	3.6
147.04453	1.4
149.04596	1.9
149.05969	1.7
152.99522	3.0
161.04485	4.1
179.05525	4.7
230.91658	1.2
261.97217	1.2
365.21271	5.7
397.27487	1.8
405.24371	1.9
423.25870	6.2
425.21936	4.4
437.30557	3.3
451.89096	1.3
455.31674	4.6
480.27240	25.8
481.27698	2.8
512.26404	2.8
561.34039	1.5
599.35968	4.7
617.36926	100.0
618.37164	17.9
635.38092	68.5
636.38373	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3799
Annotation	RK 397
Peak:m/z	Relative Intensity
55.01754	3.0
57.03316	2.4
59.01255	34.7
66.45617	1.6
69.03327	3.7
69.46053	6.1
69.46486	9.9
71.01255	51.9
72.99189	3.6
73.02812	9.3
78.12574	1.9
78.95782	8.0
82.36950	1.7
83.01254	6.0
85.02832	17.9
85.99961	1.8
87.00772	3.3
88.98692	1.8
89.02312	18.0
95.01237	4.2
96.95889	5.7
98.19875	4.1
99.00777	2.5
101.02325	29.5
107.04945	2.9
107.95295	1.6
110.40734	1.6
113.02326	17.2
119.03385	6.9
123.08015	1.8
151.07597	2.7
152.99509	4.2
159.02876	1.8
161.04483	5.3
162.90237	1.6
200.77379	1.5
221.11729	3.3
237.14925	2.0
243.13980	1.8
245.15443	10.8
252.39421	2.3
261.15039	2.7
263.16537	2.3
283.02808	2.3
283.13242	2.3
364.76563	1.8
381.27945	5.2
399.29056	11.7
401.30649	5.1
419.29599	4.0
437.30710	6.3
455.31790	6.4
473.32913	3.3
561.34320	49.3
562.34521	7.8
563.36102	4.9
583.32764	5.7
584.33490	2.8
599.35944	56.6
600.36414	12.8
606.67206	2.1
617.22144	2.1
617.36951	72.9
618.37256	14.3
635.38135	100.0
636.38580	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
69.92963	1.0
69.93372	1.9
74.64196	0.5
78.95306	1.0
78.95771	19.0
96.96838	2.3
125.09582	1.0
127.11155	2.7
141.25838	0.5
152.99490	28.3
153.09129	0.8
171.00624	2.4
171.10170	100.0
172.10501	4.5
192.28935	0.5
227.03177	3.6
245.04198	1.2
253.21700	18.9
254.22021	1.2
255.23140	2.5
307.09344	2.6
381.13123	1.7
399.14212	71.7
400.14676	4.0
483.26947	0.6
635.35596	17.2
636.36243	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.5
59.61750	0.2
65.00195	0.5
65.56467	0.2
68.02415	0.4
71.56905	0.3
71.57314	0.4
73.83575	0.2
83.01282	0.3
85.02832	0.6
93.03347	0.6
107.01260	1.8
111.00778	1.7
132.02086	1.1
135.00772	1.2
143.04900	0.2
151.00252	2.6
163.00288	0.7
167.04950	0.3
169.01340	0.3
169.84859	0.2
173.00819	0.9
173.02231	0.3
178.99710	1.3
180.00073	0.2
183.04465	1.5
185.02367	0.6
185.06007	0.4
187.03926	0.7
199.03886	0.5
200.04768	0.4
211.03969	2.1
213.01854	0.4
213.05511	0.4
224.02380	0.2
227.03448	44.5
228.03822	2.9
229.05017	0.9
239.03560	1.2
241.05058	0.3
255.02965	82.5
256.03497	8.7
257.04446	1.0
269.04565	0.3
283.02414	1.5
284.03250	100.0
285.03857	14.3
286.04349	0.6
309.03986	0.3
327.05145	0.5
411.07266	0.3
471.09186	1.6
473.10648	0.5
489.09836	0.4
575.13916	0.4
593.15094	0.6
635.16132	55.5
636.16467	7.6
636.24298	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	3.0
71.58471	1.7
78.95778	12.1
84.81584	0.8
93.30453	0.8
96.60767	0.7
96.96854	1.4
102.57750	0.9
126.87634	0.7
152.99507	7.0
218.89439	0.9
279.23294	100.0
280.23657	8.6
349.69708	0.8
387.41882	0.8
541.60913	0.9
634.38831	12.6
635.38904	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	634.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02847	4.7
59.01237	1.6
66.03341	0.4
71.01237	1.1
71.58422	0.4
72.00778	0.8
72.07265	0.3
73.02824	0.3
73.78414	0.3
74.02340	10.1
75.00727	0.3
75.56441	0.3
81.04438	0.9
82.02856	0.7
84.04414	0.5
85.02813	1.0
86.02345	3.8
86.05979	0.7
86.98968	1.0
87.05501	2.5
88.03881	0.5
90.00064	1.4
96.04395	0.4
96.95893	1.9
97.03948	1.2
99.05514	8.3
101.07072	1.4
102.05481	1.4
107.06028	0.6
109.03949	1.2
109.07600	0.5
111.05498	0.7
112.03915	1.2
113.03436	0.3
113.07168	0.3
116.01644	0.6
123.05515	1.2
124.03934	0.7
125.03436	1.1
127.05017	1.6
128.03426	23.0
129.03741	0.3
131.04497	0.5
133.04944	0.7
134.20731	0.3
135.05542	2.2
136.07602	0.6
137.07115	0.7
141.06590	2.4
143.04523	33.8
144.04910	0.7
145.06081	1.3
146.04527	2.7
149.07033	0.3
153.06606	2.5
160.00648	8.0
161.00931	0.4
166.09732	1.4
167.04518	2.0
167.08170	1.2
170.03215	0.4
171.04147	0.4
171.07736	0.7
171.10202	3.1
172.10516	0.9
173.00716	0.4
174.62604	0.3
177.03329	3.8
179.04553	7.4
179.07043	0.6
181.06145	0.7
184.10802	0.6
185.05589	1.3
187.11156	0.3
192.07693	0.4
197.05534	0.6
201.11165	0.4
209.11708	0.7
210.08760	6.0
216.35841	0.3
235.08270	0.4
242.07838	0.7
254.07768	7.1
272.08862	14.0
273.09207	0.5
288.06607	6.4
306.07639	100.0
307.07901	4.5
441.12439	0.4
607.20459	0.3
634.30353	0.5
635.28259	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78603	0.6
57.94666	0.6
59.01250	100.0
60.01587	1.3
64.81587	0.7
70.18511	2.0
78.95770	4.4
82.04593	0.6
104.44993	0.7
152.99501	1.5
157.07841	0.7
171.10176	1.3
196.49440	0.6
205.12375	0.9
223.13336	13.8
229.43481	0.8
255.23367	1.7
293.21216	7.6
297.17010	0.7
302.66287	0.6
304.21567	0.7
323.04004	0.6
409.23523	0.7
452.89618	0.7
457.84570	0.7
630.07373	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3645
Annotation	Unnarmicin A
Peak:m/z	Relative Intensity
51.91445	1.5
55.01742	4.5
57.03320	3.8
58.00451	5.3
59.01251	89.2
71.01254	75.8
71.28925	3.4
72.99177	6.3
73.02821	7.2
78.95766	4.8
83.01250	5.5
85.02821	19.6
87.00739	6.5
89.02317	79.1
89.34953	1.5
92.41927	1.5
95.01265	7.3
95.04923	1.5
97.59014	1.4
99.00755	3.4
100.50550	1.6
101.02325	54.6
102.07816	1.6
113.02338	33.4
119.03390	34.3
121.02843	1.6
128.03413	3.5
131.03412	3.2
143.03387	5.6
143.04459	1.5
149.04425	2.5
149.05936	2.2
152.99495	2.9
161.04489	7.3
161.29884	1.7
168.28389	1.8
179.05560	14.7
221.11797	3.0
241.12323	5.6
245.15370	14.9
245.17429	1.8
259.13269	2.5
261.14816	7.9
263.81168	1.5
265.12173	1.5
277.14569	1.8
279.13879	1.7
283.13400	9.3
298.15637	10.2
306.07758	1.8
316.16541	1.8
379.26688	2.5
397.27527	2.7
435.29114	6.0
453.30106	3.7
460.45206	2.1
471.31155	2.4
559.32721	43.3
560.33246	5.9
561.34296	6.5
581.31293	4.9
582.31793	2.9
597.34375	57.0
598.34351	9.8
615.35388	50.4
616.35626	10.0
633.36438	100.0
634.36688	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.6
57.03318	1.4
58.00470	4.0
59.01250	89.2
60.01596	0.6
70.21655	1.4
70.22051	1.2
71.01252	51.5
72.01602	1.1
72.99181	4.3
73.02811	1.8
73.50897	0.5
83.01266	2.7
85.02816	11.4
87.00758	2.3
88.59523	0.6
89.02317	46.1
95.01252	4.2
98.20449	1.0
99.00800	0.9
101.02321	29.7
102.05422	0.6
113.02332	18.0
119.03391	19.6
125.02312	0.9
131.03406	1.8
133.01241	0.5
143.03412	2.1
149.04410	1.3
161.04424	1.8
175.14851	1.0
179.05505	5.4
179.10597	0.8
181.03070	0.6
198.14267	0.6
209.02846	0.7
209.11708	0.7
226.71671	0.6
227.12709	0.7
229.19498	3.8
269.25790	0.6
273.18622	14.0
274.18878	1.4
291.19629	1.5
309.20654	0.8
453.24918	57.7
454.25296	8.7
455.26437	2.0
471.25717	1.9
633.31238	100.0
634.21692	1.2
634.31592	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30223	0.5
55.11366	0.7
59.01241	1.7
61.98688	2.0
64.05703	0.6
71.57574	1.0
72.22369	0.6
78.95779	13.0
84.23763	0.6
96.96842	2.0
106.53299	0.6
111.52237	0.6
135.87544	0.6
151.35387	0.7
152.99477	7.6
160.27863	0.6
277.21716	100.0
278.22021	6.0
279.23221	0.9
306.14612	0.7
354.14365	0.8
372.15802	1.3
426.20761	0.7
632.37268	13.7
633.37482	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	631.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72771	9.2
55.70800	9.5
55.78102	9.1
57.01165	9.7
63.20271	9.6
69.57667	71.1
78.70677	8.5
78.95777	19.1
94.83238	10.1
125.63537	10.6
130.08649	9.5
151.95135	10.4
152.99457	21.4
255.23347	11.1
277.21713	100.0
335.23450	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	632.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22963	0.3
57.03304	0.8
58.02851	5.4
59.01258	2.5
61.98702	0.4
66.03356	0.6
70.02852	0.6
71.01245	2.2
71.57365	0.5
72.00782	1.0
73.02831	0.4
74.02344	12.1
75.00755	0.5
78.95776	0.8
81.04441	0.7
82.02848	0.9
84.02082	0.4
84.04433	0.7
85.02818	3.8
86.02339	4.3
86.03162	0.8
86.06006	0.7
86.98964	1.1
87.00757	0.9
87.05519	2.7
88.03934	2.4
89.02332	0.5
90.00069	1.5
96.95891	3.0
97.03955	1.3
99.05521	10.8
101.02315	1.0
101.07078	1.8
102.05508	2.0
105.53400	0.3
107.06035	0.7
109.03950	1.4
109.07585	0.5
111.00745	0.9
111.05498	0.6
112.03924	1.5
113.03436	0.4
116.01664	0.7
120.01099	0.9
122.05923	0.5
123.05565	0.9
124.03934	0.8
125.03427	1.1
125.09588	0.6
127.05016	1.5
128.03427	30.3
129.03801	0.5
129.99579	0.5
131.04526	1.0
135.05539	2.3
137.07120	0.9
141.06573	3.0
143.04523	39.0
144.04854	1.2
145.06068	1.5
146.04489	3.3
146.51500	0.4
149.07094	0.6
150.05566	0.3
152.99461	0.5
153.06593	2.7
155.10735	0.4
160.00655	11.9
166.09784	1.9
167.04506	3.4
167.08202	1.2
169.12265	0.8
170.03262	0.5
171.07703	1.1
171.10179	9.4
172.10529	0.7
173.00789	0.5
177.03294	3.3
179.04533	8.7
181.06154	0.8
184.10831	0.5
185.05565	1.0
185.11623	0.7
191.01884	1.6
192.07755	0.9
197.05605	1.1
197.11722	1.0
198.08778	0.5
201.11197	0.9
207.10233	1.1
209.02971	1.4
209.11848	1.4
210.08797	8.0
211.08987	0.4
211.13327	0.7
223.09845	0.5
225.11310	2.0
228.09877	0.5
231.04489	0.4
235.08105	0.6
242.07744	1.4
249.05447	0.6
253.09344	1.0
254.07825	9.6
255.08006	0.5
264.83539	0.4
272.08868	15.5
273.09317	0.7
288.06573	6.0
306.07651	100.0
307.07843	5.1
365.12100	0.4
405.17322	0.4
632.30035	2.4
633.31152	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	631.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88119	0.4
59.01253	100.0
61.76531	0.4
71.11841	0.5
78.95782	1.9
80.24273	0.5
86.59883	0.5
99.66048	0.5
103.05454	1.0
130.04153	9.0
131.04930	29.5
132.05283	1.1
149.05992	55.1
150.06360	1.6
152.99513	1.4
210.78693	0.5
277.21936	0.8
315.62823	0.5
443.76718	0.5
444.89096	0.6
631.38049	0.6
642.19806	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
63.72736	22.4
69.76440	100.0
78.95785	32.1
81.17150	18.8
87.90410	17.1
111.11039	17.1
123.02052	18.1
245.94279	20.4
479.92422	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	69.7
60.73475	1.2
71.58010	1.7
72.09534	1.1
78.95800	3.3
97.75145	1.3
124.43990	1.4
150.86293	1.2
168.91222	1.3
225.49779	1.6
277.21725	100.0
278.22162	8.8
303.24811	1.2
439.89404	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	631.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	4.3
61.98704	2.0
68.53674	1.4
71.01257	2.3
71.57916	2.1
71.58308	1.4
72.19874	1.2
78.95786	8.4
82.65006	1.3
85.02816	1.9
93.03345	6.2
96.95894	4.1
101.02327	2.1
117.03323	2.0
119.04929	1.9
121.02853	19.2
128.03374	1.7
130.04155	4.3
131.04913	29.6
134.03621	9.4
134.04532	1.9
135.04404	3.3
145.06462	1.8
147.04391	3.7
149.05992	48.7
149.07204	2.6
150.06317	1.3
152.99506	5.5
164.04646	1.6
165.05467	1.9
171.10188	4.0
173.05992	2.4
196.73114	1.5
201.71722	1.6
239.10818	2.2
249.09145	9.8
251.10645	1.5
265.08670	5.2
267.10294	36.7
268.10587	1.7
277.08652	4.6
279.10339	12.2
297.11331	100.0
298.11755	8.4
308.25586	1.3
429.16574	1.7
523.16296	1.3
546.45996	1.4
630.35449	1.7
631.28052	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	631.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25175	1.3
53.26623	1.2
59.01252	3.9
61.98698	2.6
69.48212	11.3
71.01247	3.8
78.95770	9.4
85.02824	1.8
93.03336	6.1
96.95885	3.8
117.03328	2.3
119.04937	3.6
121.02856	16.5
128.03421	2.6
130.04111	4.7
131.04932	30.2
134.03658	10.3
135.04390	2.0
143.04520	2.0
146.03607	2.8
147.04366	3.0
149.05986	40.1
149.07179	2.1
150.06328	2.1
152.99486	5.3
165.05424	2.8
171.10135	3.6
214.60663	1.4
226.69241	1.3
238.10033	1.5
239.10674	2.3
249.09189	5.6
265.08713	6.0
267.10287	36.3
268.10577	2.6
272.08981	1.8
277.08676	4.6
279.10376	13.7
297.11331	100.0
298.11703	6.8
320.05527	1.4
460.84305	1.5
575.20801	2.0
577.21002	1.6
630.35651	2.6
631.27832	2.3
631.36475	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	630.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05495	0.7
54.83326	0.6
58.02842	5.1
59.01261	0.9
61.75555	0.6
61.98701	1.4
66.03343	1.0
71.58188	0.9
72.00780	0.7
73.02775	0.6
74.02346	12.4
78.95756	2.6
82.02885	0.8
83.02345	0.9
86.02354	4.2
86.05987	1.2
86.98987	1.2
87.05521	2.4
89.02386	0.6
89.87492	0.5
90.00056	1.4
93.03347	0.7
95.02444	0.8
96.15909	0.6
97.03942	1.9
99.05529	10.2
101.07061	1.0
102.05453	1.1
109.03964	1.6
111.05526	1.0
112.03933	0.9
116.01611	1.1
121.02936	0.5
123.05537	0.8
124.03880	0.7
125.03464	1.4
127.05045	2.2
128.03433	28.4
135.04501	1.0
135.05553	3.1
141.06599	2.0
143.04529	36.3
144.04941	0.8
145.06042	1.4
146.04478	3.7
152.99518	1.7
153.06627	2.2
153.34549	0.7
160.00650	8.8
161.00974	0.7
164.36893	0.7
166.09756	1.2
167.04517	2.7
167.08138	0.8
170.03323	0.8
171.07672	0.8
171.10283	0.8
174.01613	2.2
175.01947	0.7
177.03317	4.4
179.04541	7.9
181.06097	1.0
185.05699	1.0
192.07631	0.9
197.05533	0.9
198.08908	0.6
210.08826	6.8
228.09737	0.7
242.07735	0.8
247.70384	0.7
254.07820	9.1
255.07985	0.7
272.05911	0.9
272.08887	17.3
273.09091	0.9
288.06555	7.8
306.07660	100.0
307.07928	5.9
568.70306	0.7
594.19330	0.8
631.28546	0.9
635.57043	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3537
Annotation	Cussovantoside D
Peak:m/z	Relative Intensity
55.01751	3.1
56.98823	0.7
57.03318	4.0
58.00461	5.9
59.01252	100.0
60.01589	0.9
61.98700	2.0
66.88739	0.9
68.99705	0.8
69.03321	4.1
70.69310	1.6
70.69678	1.5
71.01254	74.1
72.01595	1.0
72.98760	1.0
72.99176	9.5
73.02818	34.2
75.00735	0.9
78.95786	1.1
80.96369	1.2
81.03319	1.9
82.95267	4.6
83.01264	15.7
83.02374	1.1
84.95022	2.5
85.02825	31.6
85.99978	2.0
86.03178	1.3
87.00758	17.9
87.03888	0.8
87.04379	4.5
89.02319	52.4
95.01285	4.4
96.95911	1.8
97.02822	4.2
99.00770	3.1
99.04415	1.8
101.02324	79.0
102.02638	1.5
103.03891	21.2
107.85717	0.7
111.00759	1.5
113.02331	19.8
115.03893	5.8
119.03402	24.0
125.02335	8.2
126.99397	1.3
127.03903	2.7
128.03401	1.1
129.01852	1.4
129.05441	1.1
131.03400	12.9
133.04965	0.9
137.68541	0.8
141.70767	0.7
143.03416	17.4
143.04500	1.2
144.43008	0.7
145.05020	6.2
149.04498	1.1
152.99477	1.7
161.04460	4.0
162.95282	7.6
163.06038	58.1
164.06354	1.6
166.09807	0.9
171.10191	2.7
179.05493	5.1
191.01976	0.8
197.11719	1.0
205.07121	34.5
206.07431	1.1
208.54056	0.9
209.11713	3.9
211.13326	1.2
221.11874	1.1
229.06944	0.9
239.12662	1.0
247.08195	2.3
257.12933	1.9
265.09357	4.3
395.24146	0.9
465.28485	2.9
483.29642	46.0
484.29871	7.7
515.28735	2.8
541.30035	5.1
542.30750	1.2
611.34613	1.2
629.35559	69.0
630.36041	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	629.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	1.8
61.98676	0.8
69.53027	1.3
69.53435	4.8
71.01250	1.4
73.02812	1.0
80.04900	1.1
80.96380	0.8
82.95974	0.6
83.01271	0.8
85.02811	4.6
94.06496	5.6
96.95891	1.8
104.25578	0.7
105.05714	2.0
106.06492	2.3
107.03649	6.4
113.02340	0.9
116.61926	0.7
120.04497	0.8
120.08082	49.4
121.05260	1.3
121.08427	1.7
122.06009	61.6
123.06310	1.3
124.07576	3.0
132.04434	6.9
133.04990	1.0
134.06017	3.7
135.06764	0.8
136.07558	2.8
137.04716	1.5
139.02615	1.7
146.05983	2.9
146.09642	1.1
147.02982	1.0
148.07552	1.3
150.05525	1.3
151.06340	0.9
152.07082	62.1
153.07410	1.7
164.03441	1.1
164.07079	3.0
165.04208	0.8
171.10162	1.6
177.12936	0.8
191.01938	1.3
201.11243	4.8
206.78667	0.9
208.10144	0.8
209.03113	1.3
209.11829	6.8
210.07988	0.8
211.08882	1.0
211.12294	2.9
215.11873	0.9
223.08682	4.7
224.09438	3.1
225.10167	6.2
235.08252	1.0
237.10327	3.8
238.11082	8.5
239.11836	15.7
241.13332	1.1
243.14952	2.7
250.11131	1.2
251.11833	3.9
253.09280	1.4
253.13441	36.8
254.13989	3.9
265.13541	9.1
266.14038	1.4
267.11331	5.5
267.14938	1.8
269.12903	1.8
269.16705	0.9
271.02167	0.8
279.11389	2.0
287.13937	5.6
297.12439	19.0
297.15866	1.2
298.13052	3.9
300.02719	1.5
330.12122	4.0
360.17209	1.6
362.18741	1.6
390.18253	2.3
402.18124	1.2
404.19913	0.7
418.21371	6.8
420.19427	1.0
435.21262	1.4
444.19281	1.1
449.19791	1.2
450.20184	2.9
462.20340	67.1
463.07614	0.9
463.20831	15.0
495.19876	1.4
557.27362	2.3
585.27167	100.0
586.27521	20.7
611.24304	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	629.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	5.3
61.98704	6.5
65.99276	2.8
69.67419	19.3
78.95780	29.1
93.03332	9.2
96.95883	9.7
96.96841	4.3
104.80550	2.7
117.79975	2.3
121.02849	65.5
123.61059	2.6
131.04881	2.9
135.04407	2.9
147.04413	3.3
149.05977	3.3
152.99484	24.0
154.99980	3.5
159.04431	2.4
160.05130	3.8
166.53908	2.6
260.08121	4.1
272.08841	6.3
306.07568	2.8
349.11902	3.5
363.10272	3.6
369.11252	5.7
381.11197	3.2
415.15405	3.4
421.14230	3.2
467.16406	3.7
474.91779	2.8
479.16537	3.3
485.17410	9.1
497.17358	17.4
515.18768	9.4
527.18805	5.9
533.19678	3.3
539.18573	5.9
545.19788	21.5
554.31055	3.0
557.19440	19.0
563.20587	33.0
564.20917	5.9
567.20288	2.9
575.20721	100.0
576.21075	19.8
593.21832	56.2
594.22119	11.7
599.25568	6.4
611.25555	5.9
628.27594	6.1
629.28748	24.2
630.29724	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	628.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24023	1.4
57.44426	1.2
59.01257	20.1
61.98694	1.7
69.77850	1.5
71.01252	2.5
71.58194	2.2
78.95779	60.5
79.95599	1.8
80.96358	6.2
83.12398	1.5
85.02786	1.4
93.03358	3.5
94.97956	2.2
96.95899	1.6
96.96848	4.9
99.08047	4.4
109.06471	1.4
114.03356	1.3
118.98366	1.3
121.02859	5.3
122.98389	2.5
124.99980	1.7
125.09607	1.7
127.11196	1.9
128.03360	1.7
135.04454	1.9
137.02338	1.5
139.11214	1.8
143.04573	2.1
147.04453	2.4
149.05893	1.8
152.99509	36.3
153.99825	1.6
154.99899	4.6
164.98631	1.7
167.14400	1.6
168.04233	6.0
171.10196	8.6
183.13831	4.6
193.12277	2.2
209.11778	1.6
211.13347	32.6
212.13707	2.6
224.06859	9.3
225.00684	2.6
229.14409	21.2
241.01196	1.6
242.07932	2.4
243.01556	2.2
253.08688	4.4
254.09105	2.1
293.21011	3.5
306.07730	2.8
309.20673	1.7
310.21149	2.8
311.22177	2.8
317.05527	1.6
329.23303	36.0
330.23788	2.9
343.24966	3.7
361.11783	1.5
430.71320	1.3
432.15076	3.2
480.17340	2.2
483.23669	30.9
484.23752	2.4
502.17783	1.6
532.18097	2.0
554.31006	100.0
555.31140	11.0
568.32349	5.7
569.19305	1.8
580.20612	2.3
598.21686	1.5
610.21729	2.0
628.27826	24.0
629.29059	8.6
652.35339	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	628.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.9
59.01252	17.6
69.03337	0.8
71.01264	1.4
71.29192	1.0
71.29524	1.5
78.95779	35.9
80.96394	5.1
85.02853	1.8
94.97989	1.2
96.96850	3.3
99.08047	5.6
107.04925	0.8
109.26011	0.7
121.02851	2.4
122.98427	2.0
125.09633	2.1
127.11205	3.2
127.12138	0.9
129.09109	1.2
135.04422	4.7
136.04694	1.1
139.11174	1.5
147.04402	4.2
148.04755	1.2
152.99498	27.3
155.14418	1.1
161.04463	1.5
164.98645	1.0
165.12772	0.9
167.14336	1.7
168.04234	3.3
171.00595	1.5
171.10214	8.4
183.13863	7.3
193.12260	1.9
209.11763	2.4
211.13347	41.4
212.13719	2.2
224.06897	1.1
225.00714	1.9
225.14871	1.3
229.14424	26.7
230.14767	1.9
242.07927	5.6
253.08592	1.3
258.16272	2.2
259.16772	3.5
260.17398	2.1
283.09839	1.5
293.21158	3.3
311.22284	2.7
329.23340	68.5
330.23602	5.5
343.24884	5.3
414.14316	1.9
422.22812	2.0
462.16388	1.8
483.23700	26.6
484.24026	2.2
550.19574	1.9
554.31012	100.0
555.31482	11.6
568.32452	3.0
580.20392	1.2
581.22906	1.0
598.21722	2.4
610.21729	2.2
628.27252	4.0
629.28357	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	628.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	16.2
61.98702	4.0
69.41054	9.2
71.01241	2.3
78.95779	69.3
79.95603	1.3
80.96394	6.9
83.04852	1.1
84.31043	1.0
93.03330	1.6
94.97931	1.7
96.96841	4.9
99.08051	4.2
107.04939	1.5
110.98425	1.3
119.04916	2.0
121.02850	6.6
122.03146	1.6
122.98409	4.0
124.99954	1.0
127.11180	2.8
131.04951	1.1
134.03632	2.3
135.04366	2.5
139.11168	3.3
147.04372	1.8
152.99492	32.3
153.99864	2.0
154.99915	1.8
155.10623	1.0
164.98512	1.2
167.14349	2.2
168.04265	6.7
171.00500	1.1
171.10182	15.1
172.10480	1.8
183.13828	4.5
193.12331	2.0
209.11894	1.2
211.13324	22.8
212.13721	1.6
224.06871	8.3
225.00719	2.4
229.14391	19.1
242.07834	2.6
253.08667	2.6
254.08968	1.6
293.21286	2.1
301.58679	1.2
311.22101	1.7
329.23331	35.1
330.23807	3.4
343.24713	2.1
363.86890	1.1
372.13171	2.0
426.43723	1.2
431.14603	1.5
432.15189	9.6
449.96133	1.3
462.16791	1.2
479.17426	1.2
480.17422	1.7
483.23663	23.6
484.23825	2.4
516.27362	1.6
550.18976	1.6
554.31012	100.0
555.31305	11.8
568.32574	3.3
598.21344	1.4
610.22382	1.5
628.27716	13.0
629.28479	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	627.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38786	1.1
51.76229	1.1
55.01767	1.4
57.03324	100.0
58.00457	1.7
59.01252	95.0
66.93850	1.0
68.99712	1.4
70.87475	2.8
71.01254	35.5
72.99185	4.1
73.02826	5.1
75.86631	1.1
78.95798	3.9
81.03325	2.9
83.01270	5.3
83.04893	1.4
85.02822	20.6
87.00748	1.5
89.02321	24.6
95.01268	3.8
96.95900	7.1
97.02863	1.5
97.06478	2.0
99.00774	2.9
99.04396	66.2
101.02321	42.7
111.00749	3.7
113.02335	24.9
116.97140	5.0
119.03386	10.7
125.02341	31.4
125.09618	1.5
143.03427	4.7
152.99516	2.1
154.99837	1.9
156.87053	1.1
157.48296	1.3
160.94263	2.3
160.95566	26.7
161.04460	5.2
171.10168	6.4
179.05540	5.1
181.12175	1.4
188.05800	1.2
191.01921	3.2
197.11746	2.7
199.13281	1.5
207.10127	1.7
209.11720	3.9
211.13350	4.2
225.11270	5.3
237.14932	3.0
243.12338	2.2
271.64130	1.2
327.21756	3.4
465.28589	29.5
466.28912	3.8
483.29626	79.8
484.29980	10.6
525.30780	3.1
627.37000	8.2
628.34314	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	627.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30948	0.2
52.86846	0.2
55.01763	0.5
57.03310	0.9
58.00460	0.6
59.01252	11.3
69.03310	0.6
69.29975	0.3
71.01251	8.7
71.11599	0.5
72.99178	0.9
73.02805	1.5
73.80818	0.3
75.00717	0.3
81.03336	0.4
83.01253	1.2
83.04898	0.3
85.02821	3.0
87.00758	2.0
89.02316	8.3
95.01256	0.6
96.95898	0.6
97.02809	1.0
99.00740	0.4
101.02325	6.7
111.00800	0.3
111.04422	0.4
111.17303	0.3
113.02324	3.4
119.03378	2.2
125.02322	1.8
125.09620	1.6
127.11169	2.1
131.03372	0.3
143.03412	1.4
146.50781	0.3
149.02377	0.3
150.03104	0.7
155.14319	0.6
161.04410	1.4
164.04575	0.4
165.05450	1.3
165.12665	0.5
167.14313	1.1
171.10217	2.0
179.05571	1.8
183.13826	1.3
185.11787	3.9
193.12280	0.4
195.06471	1.6
209.08011	0.3
209.11819	2.1
211.13344	6.7
212.13669	0.4
221.06610	0.4
229.14404	100.0
230.14783	5.4
235.08115	1.7
253.09256	2.4
258.87024	0.3
263.07712	0.3
285.12555	0.4
303.13626	0.7
305.08722	0.5
343.94037	0.3
357.13501	0.8
391.19867	2.2
397.13510	13.6
398.13806	1.1
415.14554	16.9
416.15002	1.2
482.37778	0.3
580.04852	0.3
627.25012	4.5
628.25726	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.5
59.01259	2.6
61.98701	1.9
72.03450	0.8
73.73677	0.8
78.95779	80.2
89.02308	1.0
96.95885	2.1
96.96848	14.6
113.09589	2.2
119.04939	1.1
119.97624	0.9
121.02860	3.7
129.09122	2.5
131.04906	2.4
134.03633	1.6
135.04382	1.5
139.11179	1.6
147.04457	1.8
148.04935	1.1
150.97884	2.1
152.99496	100.0
153.12767	1.0
153.99826	2.2
165.05513	1.2
169.12228	2.6
171.00571	4.1
171.10214	4.1
181.12282	2.4
181.49020	1.1
183.13857	2.3
193.12292	2.2
197.11768	4.9
199.13368	2.9
211.13356	11.2
223.00125	6.3
229.73579	1.2
241.01167	22.0
259.02209	1.3
265.21649	1.1
267.10306	4.0
275.20111	1.2
293.21286	8.2
311.22272	29.3
312.22595	1.8
315.04871	9.5
333.05759	1.0
354.89355	0.9
364.69751	1.0
395.12894	1.5
425.13904	2.1
465.22577	10.2
535.21252	1.3
627.27942	84.7
628.28235	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	627.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	3.0
59.01249	4.9
61.98705	1.0
62.05725	0.7
64.92925	0.8
70.69569	2.6
71.01260	2.2
78.95779	100.0
86.78603	0.8
96.95905	6.2
96.96841	17.2
99.04408	2.4
99.08057	1.2
101.02309	1.5
113.02305	1.2
113.09610	1.4
121.02869	1.5
123.09961	0.8
125.02316	0.9
128.03397	0.9
129.09090	2.3
134.03624	3.3
135.04373	1.0
150.97963	1.9
151.11237	0.8
152.99498	98.8
169.12321	2.0
171.00540	3.2
171.10202	3.6
181.12225	2.2
183.13919	1.7
197.11786	6.4
199.13303	3.3
200.33427	1.0
211.13345	12.2
223.00084	2.0
241.01144	30.3
267.10260	8.6
268.10394	1.0
293.21231	8.6
299.68030	0.9
309.20612	1.6
311.22302	31.1
312.22601	1.7
315.04999	6.3
333.06287	0.8
447.21542	6.7
448.21729	1.0
465.22565	16.3
466.22968	1.9
473.29730	0.9
627.27905	90.8
628.28186	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	627.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09690	1.1
59.01236	2.8
61.98697	2.0
69.01468	1.2
75.00745	1.8
78.95776	100.0
86.65299	1.2
91.33430	1.2
96.95877	5.5
96.96844	15.0
108.27530	1.2
110.61209	1.1
121.02848	2.3
128.03424	1.4
137.41055	1.4
150.97878	1.8
152.99489	96.2
153.99846	1.4
156.20680	1.3
171.00481	2.7
171.10173	3.7
193.12167	1.6
197.11746	3.7
199.13478	1.9
209.11781	1.4
211.13330	8.8
223.00084	2.3
241.01141	24.9
251.74113	1.4
255.23302	1.2
291.19678	1.4
293.21210	8.8
306.07813	2.3
311.22299	19.5
312.22610	2.0
315.04840	3.8
336.55948	1.5
378.11948	1.4
443.14822	1.2
447.21686	6.8
465.22540	29.9
466.23160	3.2
565.22443	1.7
627.27832	90.9
628.28253	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	627.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23152	0.2
59.01244	0.8
62.45311	0.2
69.29525	0.7
69.29942	1.9
71.01254	0.4
78.95775	2.0
79.95609	2.6
84.81180	0.2
85.02821	1.1
89.02264	0.2
92.56551	0.3
93.03323	0.2
93.43166	0.3
95.04901	0.3
96.95887	100.0
96.96883	3.4
97.95820	0.3
98.02324	0.6
101.02325	0.2
101.75111	0.3
111.00763	0.4
115.58318	0.3
118.96504	0.4
128.99133	0.3
147.48029	0.3
185.11748	0.3
191.01973	0.4
197.11794	0.4
209.11647	0.4
211.13377	0.5
219.56827	0.3
223.13397	0.4
225.11465	0.2
253.09212	1.0
291.03915	1.6
293.21237	2.1
335.02954	0.4
351.05954	1.6
354.09940	0.8
391.18140	0.6
393.60101	0.2
435.32089	0.2
530.16614	0.4
551.56073	0.2
596.31805	0.3
627.27502	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29424	0.3
57.03328	0.6
59.01247	1.1
61.85722	0.3
70.39718	0.3
71.01263	1.0
71.57050	0.3
71.57835	0.3
72.07266	0.3
75.00742	0.4
76.54461	0.3
77.16939	0.4
78.95425	0.4
78.95786	3.9
79.95599	3.1
82.25404	0.3
85.02817	2.1
93.03293	0.4
95.04916	0.6
96.95891	100.0
96.96784	6.0
98.02370	0.7
101.02316	0.5
105.75337	0.3
111.00768	0.4
113.02332	0.4
118.96564	0.7
133.02916	0.4
164.00575	0.3
168.10220	0.3
171.10237	0.7
191.01915	0.6
195.13828	0.5
197.11760	0.5
209.02986	0.9
211.13510	0.3
226.75641	0.3
253.09279	1.4
291.03894	2.8
293.21249	3.6
294.21838	0.5
303.72433	0.3
321.10391	0.4
335.02960	0.6
351.06097	2.4
354.09894	2.0
391.18002	0.9
530.16663	0.7
627.36938	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.5
57.03314	1.2
58.00470	2.8
59.01250	43.2
69.03321	4.9
71.01257	34.6
72.99177	3.9
73.02818	13.5
75.00725	1.4
78.98457	1.5
79.95595	3.2
80.96393	19.1
81.03342	3.4
83.01258	4.2
85.02814	18.0
87.00751	2.6
89.02317	18.2
93.03294	1.6
94.97953	4.0
95.01260	3.0
96.95913	3.4
97.02842	6.5
99.00744	1.6
101.02328	27.6
103.03889	15.3
109.02805	1.9
111.00762	1.9
119.03398	6.7
122.03622	9.4
123.04347	1.4
125.02334	19.2
126.99477	1.6
127.03970	1.9
128.03406	1.6
129.01767	1.6
134.97409	1.4
135.04419	43.6
136.05206	7.2
137.05977	2.4
143.03372	4.1
145.04973	1.7
148.05202	7.4
148.99075	2.4
149.05882	1.6
163.06038	10.8
163.20056	1.3
164.04662	2.5
164.98553	3.6
174.06792	4.8
175.07593	2.0
189.09135	2.5
191.01970	4.6
191.20120	1.4
193.29205	1.2
202.09900	1.8
205.07117	1.7
209.03017	2.3
225.00652	7.2
230.13133	2.3
242.13087	4.9
245.15472	7.5
247.08250	6.7
257.15497	3.0
260.13989	1.4
274.15762	9.0
275.16519	59.5
276.16876	4.6
289.09296	1.7
301.14456	10.8
307.10416	5.3
430.15002	1.9
583.26978	7.0
627.26721	100.0
628.26672	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	627.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.6
59.01247	3.9
61.98700	2.0
69.47099	1.2
69.47507	3.1
71.01254	10.6
72.99187	1.5
73.02816	2.5
75.00726	1.4
79.95606	0.9
80.96391	4.2
83.01270	1.3
85.02818	6.0
87.00752	0.9
89.02319	1.8
94.97988	0.7
96.95937	0.7
97.02879	0.8
99.00725	0.6
101.02319	5.8
107.04915	1.7
111.00736	1.1
113.02332	4.8
122.03632	2.4
129.01851	1.1
131.08554	0.8
133.04956	7.4
135.04414	47.5
136.05238	8.0
137.06009	2.2
143.03416	1.1
148.05208	1.7
149.05972	1.0
151.07420	0.6
157.06535	0.9
157.18764	0.5
159.02931	2.1
159.04402	1.5
160.05188	1.6
161.04460	15.7
164.04710	8.3
164.98553	1.0
171.08067	1.2
174.06784	20.1
175.07523	5.8
176.04681	0.9
176.08293	1.0
188.92371	0.6
189.09169	6.4
190.09752	0.8
191.01945	0.7
199.49010	0.5
225.00562	1.4
241.15994	1.0
244.14622	3.7
245.15382	0.8
257.15295	0.6
258.16235	100.0
259.16986	74.0
260.17328	5.2
273.15073	3.5
273.17761	0.7
283.17291	0.7
284.08997	5.0
291.16061	1.8
301.18109	3.3
313.18146	0.7
380.48663	0.7
421.22302	63.9
422.22647	7.0
427.41034	0.6
627.26727	10.7
628.26868	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.6
59.01247	3.9
61.98700	2.0
69.47099	1.2
69.47507	3.1
71.01254	10.6
72.99187	1.5
73.02816	2.5
75.00726	1.4
79.95606	0.9
80.96391	4.2
83.01270	1.3
85.02818	6.0
87.00752	0.9
89.02319	1.8
94.97988	0.7
96.95937	0.7
97.02879	0.8
99.00725	0.6
101.02319	5.8
107.04915	1.7
111.00736	1.1
113.02332	4.8
122.03632	2.4
129.01851	1.1
131.08554	0.8
133.04956	7.4
135.04414	47.5
136.05238	8.0
137.06009	2.2
143.03416	1.1
148.05208	1.7
149.05972	1.0
151.07420	0.6
157.06535	0.9
157.18764	0.5
159.02931	2.1
159.04402	1.5
160.05188	1.6
161.04460	15.7
164.04710	8.3
164.98553	1.0
171.08067	1.2
174.06784	20.1
175.07523	5.8
176.04681	0.9
176.08293	1.0
188.92371	0.6
189.09169	6.4
190.09752	0.8
191.01945	0.7
199.49010	0.5
225.00562	1.4
241.15994	1.0
244.14622	3.7
245.15382	0.8
257.15295	0.6
258.16235	100.0
259.16986	74.0
260.17328	5.2
273.15073	3.5
273.17761	0.7
283.17291	0.7
284.08997	5.0
291.16061	1.8
301.18109	3.3
313.18146	0.7
380.48663	0.7
421.22302	63.9
422.22647	7.0
427.41034	0.6
627.26727	10.7
628.26868	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	8.6
57.19711	1.0
58.63013	1.0
59.01251	22.5
61.98692	1.6
64.95113	8.6
69.41344	7.5
71.01240	4.3
73.02808	1.2
75.00739	1.1
78.95775	7.0
79.95604	2.4
80.96372	5.2
85.02832	6.5
87.00791	1.1
89.02326	1.7
96.95878	3.0
96.96849	2.4
99.04398	6.3
101.02319	3.8
106.06494	2.2
107.32386	0.9
111.00746	1.4
113.02301	1.8
120.04391	1.8
120.08066	3.3
121.05214	3.1
121.07233	1.0
122.03632	1.2
122.06010	24.9
125.02303	3.2
125.09525	1.0
132.04454	1.8
134.06024	5.9
136.07600	1.4
139.02603	1.3
139.08701	3.2
146.33340	0.9
147.02869	1.3
148.07523	1.3
151.51273	0.9
152.07085	7.3
152.99484	4.1
159.23637	0.9
160.06334	7.6
160.95459	1.1
161.99339	0.9
165.06593	2.5
172.71384	0.8
191.01804	2.0
197.07108	1.4
197.11720	1.8
209.11749	1.9
211.08636	1.1
211.13322	2.4
213.10278	43.7
214.10602	2.7
214.12524	1.0
223.08611	1.3
225.00670	1.8
225.10358	3.1
226.11069	3.6
239.11815	12.7
241.01146	2.4
241.13438	22.8
242.13690	2.2
251.11823	1.6
267.11441	3.0
267.14978	8.7
285.12454	100.0
286.12781	9.0
287.14084	1.7
297.12421	17.5
298.12949	1.3
311.13995	1.0
311.22330	1.1
316.14255	2.1
344.14066	1.2
371.12097	4.1
411.20557	1.6
430.17905	1.0
447.20987	0.9
477.16626	2.0
483.29599	2.9
511.23254	1.9
539.26593	3.4
540.27039	1.2
555.26215	1.6
565.24371	1.5
583.25647	76.7
584.25885	14.9
609.23566	1.2
614.87415	1.0
627.26880	17.7
627.36102	1.0
628.27161	1.0
634.77502	0.9
646.33398	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.6
57.03320	10.9
58.00469	0.9
59.01250	8.8
61.98695	1.4
64.19366	0.7
68.99683	1.1
69.84062	0.7
71.01251	14.1
71.57741	1.2
72.99176	4.1
73.02823	1.0
74.65847	0.7
75.00741	4.0
78.95780	1.3
79.95594	1.9
80.96389	7.7
83.01256	3.3
84.02029	2.7
85.02821	100.0
86.03149	2.5
87.00740	2.6
89.02314	3.4
93.03349	0.9
94.97955	1.9
96.95871	2.1
97.02798	0.8
99.00757	1.6
101.02316	2.6
103.00243	2.1
109.02837	1.0
111.00767	6.8
115.00252	1.4
122.06036	1.0
123.04384	1.8
125.02380	0.8
129.01826	10.1
133.01329	5.0
133.04944	3.2
135.04420	2.2
137.02383	0.7
138.83522	0.7
139.27905	0.8
145.01364	1.2
147.02899	11.7
151.48656	0.7
152.07143	0.8
160.81601	0.7
164.98553	1.7
173.00793	3.5
174.06738	0.8
183.04379	0.8
184.05203	0.9
191.01892	56.6
192.02196	1.0
197.06004	0.8
209.02969	91.6
210.03276	3.1
225.00656	1.6
258.16196	3.4
259.16907	2.7
281.09229	0.8
309.14795	1.1
327.15982	7.4
328.16452	0.8
353.14087	1.1
359.18634	3.0
391.20987	0.9
421.22495	2.3
477.84964	0.8
583.12170	1.1
595.20428	9.7
596.20770	2.1
627.14069	2.1
627.26733	14.5
628.25092	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	627.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	5.2
61.98700	4.3
69.23012	4.0
69.23412	21.4
71.01246	9.3
78.05198	1.8
78.95782	26.6
80.96410	2.4
83.01232	2.6
85.02814	7.7
93.03324	5.5
95.21092	1.9
96.96826	3.9
99.00756	2.8
101.02325	7.6
107.04931	2.5
108.97495	2.4
113.02332	3.9
119.04911	7.5
119.44186	1.8
121.02844	26.0
135.04417	66.3
136.05132	6.1
137.05983	3.1
143.04890	2.8
147.04416	15.1
149.05959	4.5
152.99483	23.6
153.99776	3.5
154.99921	2.6
159.04514	2.3
160.05144	4.3
161.04485	16.0
164.04759	9.3
165.05460	5.5
171.10173	3.5
173.06004	2.8
174.06802	20.7
175.07524	6.5
177.05487	2.5
188.08246	2.2
189.09180	6.9
206.17061	2.2
211.13379	6.4
229.14429	6.3
241.01106	3.0
244.14763	3.3
253.08777	9.8
258.16241	100.0
259.17014	78.6
260.17310	4.8
263.07263	2.9
265.08673	7.5
273.14944	3.0
283.09787	16.2
284.08884	5.2
301.18115	3.5
304.73953	2.0
313.11124	3.6
329.11826	6.7
329.23367	5.5
341.11755	8.8
353.11383	2.1
359.12881	5.0
371.12845	4.4
383.12857	6.6
401.14243	4.8
413.13785	8.4
419.14548	2.4
421.22330	69.6
422.22540	5.8
431.15021	5.6
443.15582	2.4
447.15436	3.8
449.15768	6.3
459.15497	5.5
461.16190	8.0
477.16888	3.0
483.23462	2.6
489.17130	11.9
501.17007	7.5
513.17139	3.0
519.17993	9.7
531.18280	4.2
549.19257	27.8
550.19269	3.0
554.31061	8.1
561.18982	8.4
577.39935	2.6
579.20264	15.2
591.20343	9.9
597.21289	18.8
598.21521	3.0
609.21295	40.9
610.21674	6.1
626.26544	7.4
627.27081	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	627.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03796	2.3
56.85355	2.6
57.33065	2.6
58.00489	2.3
59.01256	33.5
60.01572	2.8
61.98713	4.0
65.38817	2.2
69.03340	5.2
71.01257	12.6
78.95778	100.0
78.98486	5.2
79.95632	9.1
80.96397	46.9
85.02850	10.9
89.02355	2.5
93.03362	10.1
94.97968	11.8
96.95910	4.8
96.96826	2.9
97.02857	3.5
97.06484	8.5
98.20597	4.6
101.02332	3.9
104.58593	2.4
106.03183	2.7
107.04932	2.8
115.05482	2.9
119.04955	9.0
121.02853	26.6
122.98433	5.2
131.04990	3.7
134.03656	5.6
135.04417	19.0
143.04872	4.8
147.04440	15.5
148.99100	4.4
152.99507	43.7
153.00589	3.6
160.05273	3.2
164.98616	7.9
165.05515	4.8
168.04294	8.7
171.10194	16.0
172.10587	5.4
180.21048	2.8
183.13869	6.7
184.14268	4.3
211.07622	7.4
211.13341	33.7
212.13828	10.6
221.09801	2.7
221.11783	4.8
223.07620	5.4
224.06985	11.3
225.00720	12.2
229.14351	31.3
230.14816	7.6
235.07652	5.9
242.08189	3.6
247.07751	7.2
252.08112	3.3
253.08871	8.8
265.08649	13.1
282.09122	3.1
283.09766	20.2
291.19916	3.4
311.10828	3.3
323.10846	8.4
327.21729	37.9
328.22119	19.4
329.11990	9.6
337.12302	3.3
339.10461	4.5
341.11783	16.7
341.23129	3.4
342.23575	3.2
353.12103	6.4
355.13599	4.2
357.11502	3.1
359.12915	14.1
365.12125	8.7
367.13358	3.4
371.12857	12.4
377.11911	4.4
383.12952	22.7
395.13193	7.9
397.14139	4.7
400.13171	3.9
401.13919	30.5
413.14069	21.4
429.15259	4.3
431.15250	8.0
432.15939	3.3
440.53949	3.0
441.15442	10.9
443.15842	8.2
447.16174	13.8
449.16388	5.7
453.15060	5.4
455.16690	5.1
459.15985	27.9
460.16510	4.8
461.16296	9.3
471.15454	12.6
477.17139	27.8
479.17313	3.7
481.22076	29.4
482.22418	26.1
483.16312	6.5
489.17139	22.9
490.17581	3.4
495.16507	5.0
501.17026	20.5
502.18097	3.9
513.17462	8.8
519.18402	10.3
531.18005	19.2
532.18634	3.6
543.18097	3.6
549.19293	26.6
550.19659	4.7
552.29376	78.5
552.37732	4.0
553.29779	98.9
554.30475	3.9
561.19275	44.5
562.19928	8.3
567.20667	26.5
567.31348	6.7
568.20734	5.3
573.19757	5.6
579.20343	36.1
580.21008	7.2
591.20062	16.6
592.21161	2.9
597.21057	21.5
598.22455	4.5
609.21246	24.5
627.27374	84.7
628.27686	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	626.331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.8
59.01250	20.9
69.03333	1.3
70.65137	4.0
71.01256	2.6
78.95773	36.6
78.96212	2.0
78.98443	1.3
79.95602	2.6
80.96392	11.6
83.04891	2.6
85.02837	5.1
85.88568	1.2
91.37162	1.2
94.97968	2.6
96.95926	1.4
96.96842	2.8
97.06447	7.8
101.02331	1.5
119.04933	1.4
122.98380	2.2
125.09622	2.0
127.11166	2.2
135.04437	2.9
137.09573	1.2
152.98361	2.7
152.99504	40.6
155.10706	2.1
159.11674	1.3
164.98604	3.4
165.12831	1.9
165.54677	1.2
166.97745	1.3
167.14293	2.0
168.04170	3.2
171.00551	1.8
171.10182	16.7
177.12703	1.9
183.13846	7.0
185.11815	2.6
193.12335	2.3
193.39478	1.2
209.11852	2.2
211.13335	31.3
212.13631	1.5
221.11772	6.0
224.06828	1.9
225.00679	5.2
225.14928	1.7
227.12802	1.8
229.14401	26.2
239.12866	4.3
242.07936	5.4
291.19586	7.5
309.20779	2.9
327.21750	66.4
328.22122	6.0
341.23285	8.3
383.12830	2.0
425.15860	1.4
481.22067	40.5
482.22229	4.2
552.29431	100.0
553.30029	14.4
566.30988	5.5
579.20264	1.9
626.25726	3.2
627.27069	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41163	0.8
57.03320	2.3
59.01252	19.8
61.98709	1.9
69.03320	1.3
69.30707	1.6
69.31110	8.8
71.01265	5.2
73.02853	0.8
74.98863	0.8
75.00721	1.1
78.95780	59.9
79.95603	2.2
80.96388	14.6
83.04931	1.0
84.02056	0.9
85.02831	5.8
87.00748	0.9
93.03353	2.6
94.97965	3.7
95.04907	1.1
96.95880	1.6
96.96839	3.3
97.02823	1.8
97.06479	5.6
101.02325	2.1
102.05513	0.9
113.02317	1.7
115.00247	1.2
117.96883	0.9
119.04918	1.3
121.02871	3.7
122.98425	2.4
124.99940	1.3
125.09618	1.4
127.11127	1.3
131.04884	1.0
133.04930	1.0
134.03679	1.1
135.04408	2.3
137.09653	2.2
147.04453	2.2
148.99075	1.6
152.98320	1.8
152.99506	33.7
160.87674	0.9
163.04001	1.0
164.98528	2.1
165.12762	1.6
168.04248	6.3
171.00555	1.5
171.10201	14.6
177.12650	1.2
183.13808	7.6
184.14305	1.2
185.11841	1.6
193.12225	0.9
196.93138	0.9
197.11720	0.9
209.11737	2.0
211.13336	19.1
212.13721	1.5
221.11824	3.0
223.07512	1.0
224.06883	9.4
225.00754	3.7
229.14429	14.7
239.12895	2.0
242.07938	2.9
247.07565	1.3
253.08638	1.4
283.09821	2.5
291.19788	4.4
298.60284	1.0
320.24957	1.0
323.10602	1.1
327.21750	30.2
328.22244	1.7
329.12009	1.3
341.23447	1.7
355.13516	1.1
359.12820	1.6
371.12796	2.2
383.12866	4.3
401.13797	4.6
413.13879	2.7
425.14078	1.3
431.14969	1.6
441.15280	1.3
443.14725	1.3
447.15921	2.5
449.16534	1.1
459.16064	5.4
461.16101	1.2
471.16031	2.2
477.16922	4.4
480.26157	1.4
481.22107	30.3
482.22424	3.5
489.17142	4.3
501.17096	2.3
507.23853	1.6
549.19263	3.9
552.29425	100.0
553.29779	10.3
561.19165	3.2
566.30981	4.3
567.20111	4.0
579.20221	6.0
591.20197	2.8
597.20740	4.7
609.21021	3.3
626.27759	9.0
627.27197	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
61.53040	70.6
71.49107	83.0
78.95785	94.4
152.99495	95.6
159.10226	100.0
164.16505	84.8
183.44600	71.0
196.88635	73.6
217.59189	77.7
327.59341	72.1
347.40759	73.0
517.92749	80.7
550.70392	74.9
634.80933	82.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	2.0
64.38891	1.6
71.01254	11.2
71.57489	1.8
71.57881	1.7
78.95787	5.0
87.17965	1.5
88.98695	1.6
96.95894	2.4
99.00712	1.7
101.02351	1.5
115.37125	1.4
121.02899	1.7
138.75644	1.3
149.33292	1.4
150.88559	1.5
151.81609	1.3
152.99445	4.4
157.08591	1.6
171.10152	1.9
177.09131	3.8
192.11447	7.7
205.12411	3.2
207.13828	3.1
218.09395	2.7
220.14651	41.7
221.15424	100.0
222.15891	6.8
222.17711	1.3
235.13412	2.8
236.10518	95.3
237.10907	8.4
240.96848	1.7
273.14786	12.0
292.06317	3.9
293.17612	43.8
294.17932	3.9
309.20923	2.3
319.70706	1.6
331.18875	2.2
331.24918	4.5
346.86374	1.6
387.18033	1.3
502.05801	1.5
568.28937	2.5
625.37872	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	625.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86359	1.1
58.00467	1.4
59.01249	20.9
71.01257	16.3
71.37556	1.8
72.99181	1.7
73.02823	2.9
74.02362	1.2
81.03356	2.1
81.97132	0.9
83.01278	2.0
83.04897	4.4
84.02074	1.6
85.02822	5.1
87.00763	4.3
89.02315	14.1
95.01254	1.6
96.95897	2.6
97.02856	2.6
101.02319	13.5
105.01839	1.6
109.02863	1.4
109.57880	1.1
113.02327	6.3
119.03407	5.0
121.02898	1.5
123.00790	1.2
125.02330	4.4
128.03426	4.0
133.04985	1.2
139.03905	1.0
140.20084	1.0
143.03403	3.0
143.04500	2.5
146.03647	1.8
153.01802	1.4
156.65778	1.0
161.04500	3.0
163.11148	3.6
165.01891	1.2
165.12732	2.4
178.02571	1.4
178.51683	1.0
179.03790	0.9
179.05525	3.4
179.06981	1.7
181.12215	1.5
193.01378	1.6
193.05054	1.0
199.13304	4.1
208.03729	1.4
209.11769	100.0
210.12088	4.1
223.05998	2.0
227.12830	25.2
228.13206	1.6
235.08170	4.6
253.09203	1.4
254.07712	1.1
263.21875	1.1
271.02505	1.9
306.07712	2.8
307.07947	1.6
316.02228	1.7
384.73312	1.2
397.13504	31.4
398.13791	3.1
403.13959	11.2
415.14536	18.7
416.14883	1.4
463.18027	1.3
625.14508	3.3
625.26752	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	625.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28974	0.5
55.01769	0.7
58.00452	0.9
59.01252	16.2
65.00200	0.7
69.03299	0.7
71.01251	14.9
71.57387	0.8
72.99179	1.5
73.02818	2.1
75.00739	0.8
80.02547	1.4
81.03344	3.2
83.01264	2.0
83.04893	6.5
84.02028	1.3
85.02818	3.9
85.69122	0.4
87.00751	3.6
89.02319	14.3
93.03324	0.8
95.01279	0.9
95.04908	0.7
96.95897	2.0
97.02822	2.1
97.06432	0.5
98.05262	0.5
99.00745	0.9
99.04399	0.5
101.02316	10.1
107.01263	0.8
107.04873	0.5
111.00756	0.7
113.02328	7.5
119.03370	4.7
121.02837	0.8
125.02318	4.5
125.06029	0.5
129.01813	0.5
131.03464	0.6
134.03618	1.6
135.04405	1.6
135.08022	0.5
143.03406	2.6
149.05981	0.5
151.00262	3.4
161.04422	3.1
163.11206	4.4
164.01086	0.6
164.11496	0.8
165.05502	0.7
165.12721	2.7
179.05580	2.8
181.12263	0.8
191.01926	0.8
191.10666	1.4
193.04852	0.5
199.13298	1.0
207.10167	0.6
208.10455	0.5
209.11769	100.0
210.12108	6.1
210.97989	0.4
221.06619	0.5
225.11252	0.6
227.12846	19.8
228.13171	1.5
235.08199	4.8
253.09319	1.8
271.02493	1.0
287.07861	1.0
299.02042	0.7
301.07141	8.6
302.07584	0.6
305.08722	1.7
379.12625	0.7
397.13480	35.1
398.13809	2.6
415.14618	20.8
416.14880	1.9
625.15607	1.1
625.26270	2.1
626.26868	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.4
59.01243	3.3
66.90254	0.9
69.03308	2.8
69.61697	1.1
69.62030	7.9
71.01244	1.4
71.04902	1.8
72.78597	1.0
73.02811	1.4
75.00749	1.9
78.95777	85.6
83.04896	1.2
85.02843	1.2
93.03326	2.4
96.95906	1.7
96.96845	12.3
107.04876	2.1
119.04906	5.8
121.02847	34.3
130.04140	2.4
131.04930	7.2
135.04382	2.9
143.04936	2.6
145.06476	1.7
147.04411	11.1
149.05969	4.3
152.99490	85.2
160.05223	1.1
171.00529	3.4
171.10223	1.4
195.13896	1.9
197.11775	3.8
209.15448	12.9
223.00081	3.5
223.16986	5.3
233.15373	2.9
241.01160	22.1
242.91003	1.2
251.16519	8.3
259.02484	1.4
291.10208	1.4
291.19699	5.4
309.20663	11.1
310.20956	1.2
315.04886	4.0
329.11768	3.3
353.12259	1.6
355.13354	1.8
366.13004	1.2
367.13419	3.6
389.13766	3.1
397.14279	2.1
415.15582	3.6
417.13394	1.2
427.15598	2.9
429.17114	1.7
443.15085	1.9
445.18546	1.8
447.17975	2.1
459.18262	3.8
463.21045	18.3
464.21619	2.2
473.17496	2.5
477.19128	2.0
485.17645	2.4
493.20261	2.1
497.17383	1.8
503.19034	3.5
505.20319	2.3
515.18512	3.7
533.19519	4.1
545.19958	2.8
563.20679	3.1
593.21802	47.4
594.21967	10.7
595.24115	6.0
607.23584	3.9
625.25763	100.0
626.25836	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29209	0.9
59.01261	1.2
64.33638	1.0
69.03320	1.1
69.40446	7.0
69.40852	2.5
78.95777	71.6
93.03326	1.6
96.95897	1.0
96.96849	13.7
119.04907	2.6
121.02850	6.4
130.04155	2.9
131.04927	8.9
131.52440	1.2
135.04388	1.1
136.24452	1.0
143.04977	1.5
147.04453	4.2
149.06015	4.6
150.98000	1.0
151.04018	1.2
152.99492	52.2
171.00668	1.6
195.13844	4.3
196.73976	1.2
207.17491	1.5
221.15443	1.9
223.00191	2.3
223.17021	6.9
233.15459	4.7
240.16638	1.2
241.01138	25.2
241.07208	1.9
242.01476	2.5
249.11217	1.1
251.16496	18.5
252.16751	1.9
253.08672	1.4
291.19623	4.5
309.20731	18.0
315.04892	3.8
353.12125	1.7
361.98566	1.5
365.11884	1.8
366.12482	1.4
367.13470	3.4
370.12061	1.2
376.13867	2.3
379.13409	1.3
382.11752	1.3
385.14737	1.3
395.12802	2.5
397.14368	1.3
415.15555	1.4
425.14175	1.3
427.15427	3.0
445.20459	6.2
463.20981	7.1
464.21176	1.2
497.18268	1.9
502.26981	1.2
503.18457	3.6
515.18536	8.3
516.18878	1.4
533.19696	14.3
534.20123	2.3
545.19666	16.2
546.20178	3.1
563.20874	2.4
577.22052	1.7
593.21954	14.5
594.22351	1.8
595.23456	13.5
596.23517	1.6
607.23462	6.3
608.24487	1.9
625.26239	100.0
626.26526	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	625.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.6
61.41243	0.8
61.98698	1.5
70.32324	2.0
70.32715	2.4
71.01240	1.2
71.04887	3.5
75.00765	1.3
76.95155	0.9
78.95777	77.1
85.02876	1.2
85.06468	1.2
87.81717	0.9
93.03334	1.7
96.95929	2.3
96.96844	13.8
98.17772	1.1
118.96635	1.3
121.02851	2.1
150.98016	1.6
152.99489	85.2
171.00594	3.5
185.11673	1.4
195.13873	5.7
206.05247	1.0
207.13893	1.2
207.17393	1.4
209.15363	1.3
211.13414	3.4
221.15446	3.1
223.00140	4.8
223.17020	8.7
233.15472	4.6
241.01173	24.7
251.16502	20.2
252.16837	1.7
259.02249	1.9
291.19623	9.0
309.20728	28.0
310.21161	2.4
315.04926	8.6
333.06216	1.0
443.15082	1.5
445.19907	2.0
463.21024	8.9
595.21771	1.4
625.26318	100.0
626.26660	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	625.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	1.1
65.03821	0.8
69.40919	4.0
69.41351	3.6
71.01218	1.3
71.04897	4.5
71.69028	0.8
78.95779	72.9
80.96350	1.2
93.03347	0.9
96.95882	0.9
96.96842	12.6
97.06483	3.0
98.20552	1.5
121.02841	1.2
121.06447	1.2
125.09599	2.0
137.09631	3.9
150.97897	1.5
152.99498	71.2
153.99886	2.0
169.28329	0.9
171.00618	2.4
171.10175	9.0
185.11771	2.1
195.13820	1.6
195.58804	0.8
223.00089	2.1
237.09192	1.0
241.01144	22.6
242.01524	1.3
251.16446	6.3
291.19687	12.0
292.19897	1.1
309.20709	11.7
310.21069	1.6
315.04883	6.0
445.19724	5.2
463.21057	11.2
464.21591	1.2
545.19843	2.1
551.28314	2.6
575.20673	2.0
595.23035	1.2
607.22876	1.5
625.26227	100.0
626.26501	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.1
59.01255	0.8
59.09032	0.6
60.46724	0.8
69.99821	3.5
71.04897	6.4
78.40145	0.7
78.95779	74.2
89.14063	0.7
96.96840	13.7
97.06443	1.8
104.56308	0.6
107.04949	0.8
121.10122	2.1
125.09606	5.0
137.09619	5.8
147.04430	0.7
149.06001	0.7
150.97975	1.3
152.99498	89.7
153.99968	0.8
171.00533	2.3
171.10175	13.9
185.11821	5.2
197.11789	0.9
210.06821	0.8
211.07590	1.2
211.13376	0.8
216.95529	0.8
219.13979	0.9
223.00076	8.8
235.16983	1.2
237.14923	1.7
241.01183	27.6
247.20671	0.8
251.16504	13.9
252.16745	1.4
259.02264	2.1
291.19672	17.2
292.20120	1.5
309.20715	22.2
310.21082	1.5
315.04877	12.2
333.05896	2.0
429.43347	0.9
463.21252	3.4
514.72870	0.8
625.26306	100.0
626.26776	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	625.263
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.5
59.01249	1.9
62.96278	1.4
70.00694	8.0
70.96060	1.6
71.04901	8.2
78.95779	95.4
80.06287	1.3
86.04916	1.5
93.03322	1.5
96.96856	15.4
97.06466	3.4
98.19820	2.2
104.28453	1.6
108.50134	1.5
121.02886	1.9
121.10155	2.3
123.08018	1.6
125.09599	4.5
137.09613	6.2
150.97914	2.6
152.99500	95.8
153.99818	1.4
171.00562	3.2
171.10182	16.5
173.76033	1.5
182.77689	1.8
185.11797	4.4
197.11829	2.4
207.13806	2.0
223.00116	8.8
241.01190	27.7
251.16568	16.2
291.19666	21.0
309.20715	17.1
315.04837	10.1
453.53705	1.8
463.21237	2.1
476.88840	1.6
489.84464	1.6
498.15671	1.5
509.74637	1.5
625.26318	100.0
626.26599	13.5
635.33746	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	625.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.8
58.42601	0.5
59.01241	3.2
61.98690	2.1
69.03305	0.7
71.01242	2.1
71.58551	0.8
71.67097	0.5
73.02798	0.6
75.00739	0.8
78.95773	60.3
80.96375	2.0
80.96846	0.5
83.04902	1.3
85.02821	3.2
85.05518	0.5
89.02293	0.7
93.03297	0.8
96.95907	4.0
96.96843	10.9
97.02843	1.0
101.02321	1.1
107.04893	0.6
109.06461	0.9
109.40746	0.5
111.00750	1.1
111.08041	4.0
113.02364	0.6
116.92752	1.3
120.16903	0.5
121.02838	1.9
122.05956	1.4
125.61172	0.6
131.04915	0.8
133.02795	0.8
134.98456	0.7
137.09630	0.8
147.02890	0.8
150.97873	1.2
152.07028	1.6
152.99489	53.8
153.99872	0.9
163.11212	0.7
165.12723	1.3
169.12236	1.8
171.00592	0.9
171.10225	3.2
181.12332	0.9
183.13641	0.7
185.11612	0.8
191.01822	1.0
197.11760	19.4
198.12033	1.1
199.13420	0.7
209.02899	0.6
209.11800	5.3
209.15334	3.6
211.13361	3.4
223.00078	3.7
223.17078	0.6
227.12741	1.3
241.01151	27.3
242.01488	1.2
251.16322	0.9
259.02069	0.7
263.20035	1.5
283.01917	0.6
291.19626	5.6
301.14267	0.7
309.17303	0.9
309.20743	13.8
310.20996	1.0
315.04877	6.7
333.05933	0.7
357.12405	1.8
366.97562	0.6
367.14743	0.6
377.06674	1.1
384.82712	0.6
405.06122	2.2
420.08389	1.7
421.09018	2.0
445.19919	3.5
463.20981	0.6
503.18497	0.7
522.20148	0.9
537.25085	0.8
554.22906	1.3
563.20544	4.7
564.21185	0.9
607.29669	0.8
625.26184	100.0
626.16229	0.9
626.26611	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14970	1.8
67.58673	1.6
69.03333	2.8
69.50921	5.5
69.51342	10.5
77.64216	1.9
78.95782	72.4
93.03329	2.2
96.37929	2.0
96.96844	12.1
111.08041	5.5
119.04923	3.0
121.02857	33.8
130.04140	7.9
131.04933	23.8
145.06485	2.2
147.04390	2.7
149.06033	13.4
150.98062	2.4
152.99492	82.3
155.47868	1.9
169.12216	2.4
171.00516	2.9
171.10219	2.2
173.53479	2.0
197.11765	27.3
198.91180	1.7
223.00166	5.8
239.07138	2.4
241.01170	24.5
242.01524	2.0
291.19711	4.5
293.04541	1.9
309.20718	11.2
315.04984	9.3
328.31787	1.8
353.11624	2.6
387.12408	2.7
415.15720	4.0
430.14249	3.6
431.14819	2.7
443.15018	10.9
445.16653	4.0
463.20981	10.9
471.15448	2.1
475.17792	12.9
503.18613	8.3
533.19537	2.9
563.20776	67.0
564.21149	11.3
575.20636	2.9
593.22217	5.1
625.26105	100.0
626.26111	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	625.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76445	0.3
57.03293	0.4
59.01250	7.5
61.98709	0.4
65.00189	0.6
66.32475	0.3
69.28551	3.5
71.01238	1.2
71.69118	0.3
72.99180	13.6
73.02805	0.7
75.00743	12.8
80.96384	0.7
83.01259	0.8
85.02796	1.7
87.00753	0.7
87.04343	0.3
89.02331	0.8
97.02818	0.6
101.02334	1.3
107.04900	0.3
109.02863	1.1
111.00748	0.6
112.91883	0.3
113.02344	0.5
121.02841	1.7
122.03160	0.4
123.03503	0.4
123.04396	1.2
133.04961	100.0
134.05295	2.5
135.08032	0.7
137.02315	0.4
137.09592	1.0
161.09634	0.8
163.07565	1.2
165.01839	4.6
165.12756	0.7
166.02174	1.9
167.02348	1.0
179.10674	1.0
181.08627	1.0
183.13820	5.2
184.14154	0.4
191.01927	0.6
193.01346	0.5
194.01651	0.4
197.11748	0.8
199.03967	0.8
200.04469	0.4
203.10724	0.4
209.03021	0.9
215.03430	0.4
223.09718	1.7
226.02705	0.6
227.03418	0.9
227.12904	0.6
228.03876	0.6
229.08661	0.3
241.10802	0.9
243.02963	1.5
244.03255	0.9
245.03586	0.6
254.02121	0.7
255.02890	1.2
256.03363	0.8
265.10590	0.5
269.04507	0.6
270.04996	0.3
271.02472	14.3
272.02835	10.3
273.03003	8.0
274.03659	0.4
283.02444	0.5
283.13165	0.5
285.03928	0.6
286.04352	0.4
299.01938	17.9
300.02316	17.6
301.02527	18.2
301.14499	0.3
302.03094	2.1
314.04297	14.0
315.04773	20.9
316.05008	22.6
317.05573	8.4
318.05930	0.4
385.15067	2.4
421.05756	0.4
567.21161	0.8
625.16748	47.5
625.25745	17.1
626.17047	5.8
626.25989	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	625.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70913	1.9
58.83794	1.5
61.98710	3.4
62.96276	1.5
68.48506	1.6
69.34826	4.4
69.35238	11.7
71.04888	3.3
75.00737	1.8
78.95781	84.9
85.39945	2.1
93.03336	4.6
96.96845	11.0
97.06468	2.5
97.47204	1.6
103.05379	2.4
119.04935	6.0
121.02824	6.6
121.06468	1.8
130.04126	15.0
131.04935	43.6
131.90448	2.0
132.05247	2.5
134.03574	2.2
135.04390	3.6
137.09651	3.3
147.04422	5.4
149.06012	16.9
152.99495	90.0
171.00597	3.9
171.10210	6.9
195.13995	2.2
209.11897	2.3
223.00150	3.0
223.16956	2.0
241.01151	13.0
247.07635	2.7
251.16542	4.2
252.07062	2.0
253.08836	1.7
291.19632	9.0
309.20694	12.8
315.05014	6.3
317.21274	6.0
349.12292	2.1
355.13297	2.3
361.12665	1.9
365.11642	4.1
367.13248	2.5
376.10724	1.9
377.11743	2.6
379.13470	4.1
385.14575	2.3
394.12332	2.3
395.12704	6.4
396.13776	3.1
397.14667	8.1
400.12906	3.5
407.13110	2.2
411.12296	3.5
412.13077	8.7
413.13663	2.9
415.15222	3.8
425.14175	3.9
426.14651	3.8
427.15610	6.8
430.13901	1.9
445.16336	5.0
457.16544	16.4
463.21069	31.7
464.21405	3.1
466.21875	2.2
485.17648	2.8
497.17560	5.1
509.17499	3.9
515.18658	12.1
527.18799	9.0
533.19611	10.1
545.19733	59.7
546.20135	12.5
552.29358	6.3
563.20715	5.4
575.20795	2.5
595.23352	25.3
596.23676	3.9
607.23395	52.0
607.33136	2.9
608.23804	10.8
625.25653	100.0
626.25818	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36272	0.5
59.01195	1.9
59.01460	0.8
62.96199	0.7
69.03272	0.9
70.33709	2.1
71.01197	0.7
71.04846	1.2
77.50097	0.6
78.95781	47.8
78.96204	2.7
83.04842	0.8
83.73404	0.6
85.02821	0.6
87.04357	0.6
89.57996	0.5
93.03261	1.8
96.96838	10.7
97.06406	0.9
103.05346	0.8
115.05349	2.0
117.03268	1.3
119.04835	2.7
119.05622	0.6
121.02757	1.2
129.09033	0.7
130.04137	2.8
130.04839	0.6
131.04927	4.4
133.06404	1.3
134.03558	0.7
135.04329	1.3
137.09534	0.8
143.04951	3.5
145.06384	0.8
147.04431	9.9
149.05884	2.7
149.11926	0.6
149.32825	0.6
150.97874	0.6
152.99496	48.5
159.04350	1.3
160.05127	1.7
161.05872	1.5
162.59517	0.5
165.05377	1.7
171.00487	1.6
173.05864	1.2
177.12282	0.6
192.04024	1.0
195.13853	8.2
196.14052	1.0
205.06532	0.8
207.13777	1.3
207.17354	2.6
211.07484	1.0
221.05957	0.6
221.15282	2.4
223.00133	4.0
223.14870	0.9
223.16969	13.2
224.17252	0.8
231.07990	0.7
233.15440	7.0
233.86932	0.6
235.16925	1.1
237.09103	1.6
240.98840	1.2
241.01173	22.0
247.07529	0.9
249.09114	1.0
251.16508	24.5
252.16745	1.5
259.02100	2.0
259.07510	2.0
261.09103	0.8
273.18619	0.8
277.08417	1.7
281.21170	0.9
291.19681	7.8
309.20724	35.8
310.21057	4.1
311.10770	0.8
315.04858	4.5
323.10629	1.0
325.50885	0.6
329.11975	1.2
333.05716	1.2
335.10571	1.4
337.12119	1.5
341.11835	4.5
342.12378	1.2
349.12222	1.0
353.11691	1.6
354.12387	1.0
355.13120	1.8
361.12225	1.6
365.11774	1.7
366.12497	1.1
367.13266	1.2
369.10925	0.8
371.13052	1.2
377.11761	2.5
379.13287	2.2
383.13010	3.3
389.12064	1.2
390.12497	0.7
391.13171	1.6
395.12918	4.1
396.13297	1.0
397.14160	1.5
407.12863	1.7
408.13666	1.2
409.14371	1.9
413.14340	0.8
415.15491	1.2
425.13968	1.1
427.15512	1.2
441.14432	0.8
443.15726	0.8
445.18030	2.4
455.16840	1.1
457.18008	2.6
459.16324	0.7
463.20782	1.6
467.16153	0.7
471.15836	1.1
473.17410	1.9
475.19064	1.6
479.16263	1.2
485.17581	4.6
487.19299	1.4
497.17548	2.7
498.17877	1.0
503.18622	2.3
509.17719	0.9
515.18762	5.3
516.19281	1.0
518.17065	0.7
527.18469	1.8
533.19641	5.5
534.20514	1.0
545.19769	11.9
546.19812	2.1
563.20923	12.7
564.21149	2.2
565.22363	1.2
575.20795	10.5
576.21088	2.1
577.22406	8.0
578.23138	1.2
589.22345	0.8
593.22528	1.5
595.23395	82.8
596.23706	15.2
607.13000	0.7
607.23383	51.0
608.23810	9.2
625.26257	100.0
626.26563	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	625.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01405	0.8
65.40417	0.8
69.79687	5.9
78.95781	12.7
87.11977	0.8
87.90962	0.8
88.83749	0.8
93.03310	2.2
96.96835	1.5
103.05415	1.4
119.04899	2.2
121.02846	52.0
122.03174	1.5
130.04132	13.9
131.04930	35.2
132.05220	1.7
133.06578	1.0
143.04900	1.7
144.52852	0.9
145.06503	2.0
147.04405	3.0
149.05975	19.0
152.99501	13.6
197.11716	2.7
211.07602	1.0
226.06364	1.4
237.05554	1.4
237.09128	1.3
239.07007	2.4
241.01170	4.0
247.07701	1.3
249.09332	1.2
251.07141	1.2
251.16367	1.3
252.08002	0.9
253.08640	1.6
254.05769	2.4
258.05234	0.9
267.06485	1.7
277.08673	1.5
291.19766	1.1
303.78360	0.8
309.20709	3.2
315.04962	1.4
335.10593	1.3
337.12274	1.6
342.12527	1.1
353.11868	2.4
354.12537	3.0
355.13321	2.3
367.13458	1.1
370.12015	1.6
371.13214	1.0
383.12857	3.4
384.13232	1.2
385.14417	2.0
387.12289	3.7
388.12994	1.3
397.14386	1.1
413.13940	3.3
414.14484	1.1
415.15598	5.4
416.15521	1.0
427.15494	1.2
430.14209	4.9
431.15088	4.5
441.16721	1.7
443.15009	16.3
444.15411	2.2
445.16592	3.6
463.20978	2.9
475.17627	22.4
476.17871	2.8
485.17404	2.6
503.18692	13.2
504.18997	2.1
515.18433	1.4
533.19617	4.7
545.19794	1.3
563.20734	100.0
564.21045	20.2
575.20795	1.8
593.21936	15.6
594.22028	2.4
595.23096	3.3
607.23157	1.6
625.24939	45.5
626.25214	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	625.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31592	1.3
59.01257	1.8
69.54015	10.6
69.74244	1.4
71.04903	1.4
71.34303	1.2
78.95777	85.3
84.90522	1.3
93.03332	2.7
96.96845	16.1
115.05410	1.3
118.37923	1.2
119.04939	3.5
121.02807	1.7
130.04152	8.5
131.04932	25.7
143.04918	2.5
147.04396	2.7
149.05978	10.6
150.97946	2.9
152.99495	100.0
153.99858	1.4
160.05225	2.4
161.22906	1.3
171.00542	4.5
195.13899	5.7
197.11638	1.6
202.70651	1.4
207.17471	1.5
221.15408	2.5
223.00261	1.3
223.16989	7.8
231.08232	1.4
231.93384	1.2
233.15350	3.3
241.01178	25.5
251.16560	13.8
252.16858	1.6
259.07773	2.0
277.08569	2.1
291.19742	3.7
291.79971	1.3
309.20786	22.9
310.21127	2.4
315.04883	5.1
321.62949	1.3
353.11707	3.7
354.12482	1.5
355.13458	2.1
365.11813	4.0
366.12869	1.4
367.13315	4.1
374.26883	1.3
377.11792	2.3
379.13327	1.7
382.11853	1.7
383.12912	3.1
384.60724	1.4
385.14267	3.4
395.12918	3.7
396.13708	1.5
397.14432	3.5
412.13446	2.8
413.13745	1.5
415.15533	1.9
425.13535	1.9
427.15619	4.6
445.15753	2.5
445.20798	2.5
457.16470	8.2
458.16913	1.5
463.21097	20.5
464.21289	2.2
473.17960	1.6
485.17612	4.0
497.17468	1.9
503.18750	7.4
504.19086	2.3
515.18518	15.9
516.18988	3.0
527.18176	2.2
533.19641	20.0
534.19958	3.6
545.19836	23.2
546.20007	4.2
563.21027	3.8
575.20520	2.5
577.22192	6.5
595.23401	39.3
596.23615	7.6
607.23505	22.2
608.23999	6.0
625.26276	82.1
626.26929	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	625.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43579	0.9
54.67342	0.9
59.01253	1.5
67.21562	1.0
68.70013	1.0
71.38466	1.9
71.64188	0.8
73.53459	1.1
76.75843	0.8
78.95777	72.9
87.04377	1.0
96.96838	15.0
97.06495	1.2
103.05383	1.7
119.04913	2.4
121.02818	3.3
130.04138	4.2
131.04921	11.3
143.04880	1.1
147.04391	3.0
149.05988	4.1
150.97894	1.1
152.99492	48.8
160.05139	2.6
195.13762	4.1
207.13824	1.4
207.17450	1.1
221.15369	1.4
223.00020	1.5
223.16994	9.1
233.15459	5.7
235.13773	1.0
235.16983	1.1
241.01146	30.5
251.16490	23.5
252.16914	1.5
291.19659	4.2
292.19699	1.3
309.20694	20.8
310.20938	2.0
315.04858	4.0
315.86139	1.0
336.11499	1.0
349.12350	2.2
353.11890	1.5
353.86325	1.0
354.12714	1.2
355.13483	1.6
357.11673	1.4
365.11929	2.8
370.12158	1.3
377.12048	1.5
379.13147	1.2
382.12033	2.5
383.12988	1.3
385.14563	1.4
395.12634	1.6
396.13678	2.2
397.14429	1.7
412.12854	1.7
415.15741	1.2
427.15454	1.8
445.20346	6.7
449.98990	1.2
457.16864	2.0
463.20752	5.2
503.18784	4.7
515.18616	13.4
516.18970	2.2
527.18701	1.3
533.19690	19.9
534.20099	3.0
542.14886	1.0
545.19720	20.7
546.20007	4.2
563.20288	1.8
575.20630	1.6
577.22723	2.0
593.21655	6.9
595.23358	20.7
596.23962	5.0
607.23389	8.8
608.23798	2.1
625.26263	100.0
626.26617	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	625.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	98.1
59.08808	5.8
63.73801	6.2
71.01257	70.7
71.18404	9.9
73.02801	8.9
78.95768	39.8
83.01257	7.8
85.02827	18.2
89.02329	65.5
93.03325	28.4
96.95907	12.0
101.02317	32.6
107.04901	27.0
113.02331	21.3
114.33315	6.6
119.03413	15.1
121.02844	77.7
125.08021	6.4
127.20065	6.7
130.04095	8.7
131.04942	38.3
133.01239	7.8
134.03639	23.1
135.04416	80.7
147.04385	14.5
149.06001	22.4
152.99477	17.9
161.04414	7.2
165.01831	41.3
165.05527	14.2
177.05450	8.6
179.05551	14.2
223.07544	7.2
236.08105	8.6
237.09390	10.8
247.07567	21.2
248.08350	8.4
249.09184	14.5
253.08754	38.5
265.08664	100.0
279.10132	9.5
283.09763	26.6
286.23044	6.8
295.09641	18.0
297.11264	15.8
301.75708	6.9
329.11926	9.6
341.11905	9.7
385.14438	9.2
397.14450	48.2
409.14359	13.0
415.15530	60.8
457.14648	22.5
561.07910	7.4
577.20868	99.3
578.21167	13.7
583.76154	7.3
595.22015	13.0
607.22253	16.1
625.23291	51.5
626.23566	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	625.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
71.55418	3.9
71.55742	5.2
71.95737	3.2
108.02060	59.1
109.02852	12.9
110.15846	3.3
121.95758	3.1
149.13248	3.3
152.01056	45.5
153.01837	14.2
193.39639	3.4
315.07233	100.0
316.07352	3.8
346.75729	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	625.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85697	0.7
57.37584	0.7
61.98701	0.8
71.01251	1.1
78.27187	0.7
78.95775	2.1
78.98471	0.7
79.95614	1.2
80.96388	7.1
85.02827	1.6
93.03335	15.7
94.97945	1.4
96.95872	1.0
98.20163	5.0
101.02341	0.8
107.01252	0.9
109.02830	1.0
109.64689	0.7
118.83610	0.6
133.04971	0.7
135.00768	2.0
148.01564	1.6
149.02362	0.7
152.07062	1.0
152.99492	2.9
163.00296	12.6
163.03902	0.8
164.98544	1.2
167.04932	0.9
171.04465	1.5
171.10107	0.8
176.01076	2.7
177.01796	1.6
183.04457	2.4
187.03903	0.6
195.04465	1.4
199.03960	1.0
200.04771	1.0
209.02925	1.0
209.11821	1.0
211.03937	9.1
212.04683	3.5
213.01901	0.9
213.05479	2.0
214.02704	3.5
222.99944	0.7
223.04070	1.0
224.04547	0.9
225.00601	0.8
227.03508	4.7
228.04167	3.0
229.04895	1.7
239.03499	5.4
240.04204	6.6
241.01288	1.0
241.04868	1.4
242.02127	5.5
243.02885	2.4
252.04277	1.2
254.02144	3.1
255.02966	21.6
256.03738	11.5
257.04556	3.7
266.02136	1.4
267.02985	11.7
268.03644	2.2
269.04529	1.4
270.01678	1.7
271.02740	1.7
271.06061	1.8
282.01688	2.8
283.02493	47.5
284.03214	17.3
285.03806	2.4
295.02451	3.8
296.02859	1.1
297.04022	5.4
298.04681	1.9
299.02090	1.5
299.05566	6.6
300.02792	1.3
300.06006	0.9
301.03345	1.1
311.01981	27.1
311.99069	1.4
312.02744	27.7
313.03333	4.9
314.04205	1.2
315.05011	2.1
325.03592	2.6
326.04303	19.2
327.05078	100.0
328.05472	7.2
348.06381	5.2
349.07144	11.6
350.07587	1.9
363.08871	3.7
364.09543	0.9
371.60507	0.9
377.06580	6.9
391.08221	2.8
392.09161	1.4
405.06180	5.0
406.07040	1.6
420.08566	22.0
421.09277	47.5
422.09586	6.4
519.11389	1.1
525.66199	2.1
526.16473	2.4
531.11450	58.1
532.11829	8.8
547.65417	1.4
548.15875	1.6
625.15552	49.2
625.25757	14.5
626.15967	7.6
626.25726	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	625.156
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00162	0.4
70.41566	0.7
70.41985	1.1
71.01227	0.4
78.95773	6.8
80.96336	0.6
93.03338	6.1
96.95863	0.7
96.96797	1.4
109.02835	3.0
111.08017	0.7
121.02065	0.4
121.02846	4.4
133.02815	0.5
137.44052	0.4
137.92130	0.4
139.03920	2.0
143.04932	1.0
145.02884	2.3
147.00768	2.0
147.04430	0.8
149.02377	3.8
152.99509	7.0
161.02330	1.4
163.00299	0.5
165.01834	0.5
169.06425	0.8
169.12280	0.8
171.04385	3.0
175.00322	5.6
175.03848	0.5
183.04396	1.1
187.03883	1.5
189.01810	0.7
192.54648	0.4
197.05945	0.6
197.11798	3.4
199.03908	1.5
203.07074	0.5
211.03966	2.1
211.13271	0.7
212.04654	0.9
213.05420	1.1
215.03197	0.5
223.00162	0.9
225.05368	0.4
226.02583	0.5
227.03502	2.4
228.04155	2.0
229.04958	2.1
239.03445	1.1
240.04216	1.1
241.01241	3.0
241.04977	1.4
242.02177	2.1
243.02811	1.2
254.02295	0.4
255.02962	8.3
256.03757	2.4
257.04492	4.1
267.02936	2.1
268.03781	2.3
269.04449	1.6
270.01660	1.6
271.02499	2.1
271.06091	9.3
272.06464	0.6
277.08731	0.6
281.08542	0.4
283.02487	5.7
284.03146	3.4
285.04068	0.9
291.19644	0.8
296.03122	0.7
299.05502	2.0
305.08258	1.0
309.20721	1.5
313.03311	0.4
315.04807	0.8
321.07675	1.1
327.05136	0.6
331.06140	0.5
332.06662	0.8
333.07516	1.9
349.07144	4.3
360.06409	1.5
361.06985	1.9
375.08777	0.7
377.06653	56.4
378.07117	6.4
391.08237	1.3
393.09479	0.5
405.06137	100.0
406.06628	16.5
407.07153	1.0
419.07813	0.9
420.08499	72.1
421.09207	49.5
422.09576	4.2
463.10214	0.9
516.80872	0.4
583.14270	3.2
584.15045	0.6
617.28198	0.4
625.15778	74.4
625.26276	11.6
626.15985	11.6
626.26532	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.3
61.98701	0.3
63.02265	0.3
65.00196	0.6
68.99680	0.2
69.28235	1.6
70.35748	0.2
78.95783	1.9
85.02794	0.2
93.03333	6.2
93.62508	0.2
96.96846	0.2
103.75713	0.2
108.02029	0.3
109.02828	2.5
114.61971	0.2
119.04942	0.3
121.02843	9.6
122.03157	0.3
131.04906	0.3
133.02841	0.8
139.03918	1.9
143.04918	1.5
145.02840	2.7
147.00775	1.7
147.04417	0.6
148.01527	0.4
149.02361	2.5
151.00235	0.5
152.99524	1.4
155.04945	0.4
159.04424	0.3
161.02365	1.7
161.05988	0.3
163.00262	0.7
163.03911	0.4
165.01836	0.5
167.04948	0.5
169.06508	0.7
170.03703	0.2
171.04431	5.0
172.04774	0.5
173.02332	0.3
175.00308	4.2
175.03926	0.5
176.01105	0.3
177.01843	0.5
183.04448	1.1
185.02348	0.3
185.06026	0.3
187.03915	2.0
189.01877	0.9
189.05496	0.5
191.01788	0.2
191.03448	0.4
195.04456	0.8
197.06027	0.9
197.11752	0.7
198.03070	0.5
199.03978	2.0
200.04738	0.5
201.01823	0.3
201.05557	0.3
201.51402	0.2
202.02505	0.2
203.03442	0.3
203.07104	2.4
211.03937	2.5
212.04704	1.3
213.01923	0.3
213.05492	1.4
214.02660	0.4
215.03448	0.9
217.01431	0.2
224.04744	0.4
225.05394	0.3
226.02705	0.5
227.03442	3.2
227.06960	0.3
228.04251	3.9
229.01416	0.2
229.04994	2.0
231.03023	0.4
239.03464	1.8
239.07245	0.3
240.04208	1.2
241.01231	0.8
241.04958	1.1
242.02177	1.8
243.02960	1.9
243.06561	0.2
253.05019	0.2
255.02968	8.2
255.06474	0.4
256.03708	4.3
257.04520	3.1
259.02493	0.3
263.07104	0.3
267.02954	2.2
267.93774	0.2
268.03769	3.6
269.04498	1.2
270.01691	1.6
270.04904	0.3
271.02686	1.3
271.06110	30.2
272.06436	2.5
277.08682	0.4
281.08298	0.2
283.02499	6.7
284.03238	4.4
285.03906	0.6
287.07108	0.3
288.07898	0.3
289.08496	0.2
291.06622	0.3
291.19907	0.2
295.02512	0.5
296.03189	0.6
297.04272	0.4
298.04620	0.3
299.05545	2.0
303.06403	0.3
305.08136	1.2
309.07706	0.4
309.20770	0.6
311.02078	0.6
312.02704	1.0
313.03381	0.6
313.07034	0.3
319.06107	0.3
320.06744	0.3
321.07715	0.7
331.06207	0.5
332.07037	0.3
333.07709	1.5
348.06229	0.3
349.07120	4.2
350.07654	0.3
359.05615	0.6
360.06274	0.4
361.07123	0.8
375.08691	0.3
377.06659	42.4
378.07001	4.2
388.05737	0.4
389.06241	0.2
391.08090	0.2
393.09680	0.4
405.06134	100.0
406.06659	17.0
407.07343	0.6
419.08096	0.3
420.08499	70.7
421.09213	54.4
422.09616	5.5
445.09116	0.4
463.10422	1.0
539.67047	0.2
583.14539	4.5
584.15167	0.6
595.23724	0.3
625.15637	72.4
626.15948	11.5
626.24048	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	625.141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03761	1.7
57.03304	1.8
59.01250	20.3
63.02280	3.0
65.00192	7.7
69.51364	2.8
69.51775	10.3
71.01256	14.9
72.99167	2.4
74.17130	1.7
81.03341	3.2
83.01248	7.3
83.04887	6.2
85.02827	6.8
87.00767	2.8
89.02319	14.7
93.03333	5.8
95.01278	5.7
97.02805	2.8
98.19749	2.0
98.20342	5.6
99.00758	1.9
101.02316	12.6
107.01270	11.3
109.02858	1.7
111.00771	8.7
113.02334	7.6
117.03320	4.7
119.03411	4.8
121.02816	2.4
123.00798	5.8
124.01524	2.8
125.02329	10.2
132.02129	2.6
133.04984	2.0
136.98706	2.2
137.02357	4.4
139.00290	12.9
143.03381	2.9
143.04962	4.1
145.02846	5.3
149.99464	2.7
151.00270	33.3
152.01001	5.0
153.01830	2.2
154.99849	2.3
155.04887	2.9
159.04428	6.2
161.02304	3.0
161.04411	2.2
163.00211	2.8
163.11107	4.9
164.01012	2.2
164.98276	2.0
165.01840	3.5
165.12706	3.1
165.29285	1.7
165.99007	2.0
166.99704	2.1
169.01300	5.6
171.04405	8.0
174.03145	5.3
175.03868	3.8
177.99013	5.0
178.99785	24.8
179.05595	1.8
183.04410	5.3
187.03960	8.8
188.04659	2.6
189.01857	4.5
189.05560	3.3
190.99879	2.5
192.00613	2.6
192.15836	1.6
193.01305	3.9
199.03917	6.9
201.01865	3.1
203.03419	6.1
206.99336	5.1
208.00125	2.7
209.00850	3.2
209.11778	100.0
210.12117	2.9
211.03975	3.1
213.01833	2.7
214.02638	3.6
215.03465	6.2
215.32756	1.7
216.04266	2.4
217.05006	18.7
226.02878	1.9
227.03404	13.0
227.12830	20.0
229.05180	3.2
231.02957	5.3
235.08174	5.0
241.68733	1.5
242.02148	5.2
243.02835	13.2
244.03503	3.0
245.04588	3.7
255.02939	29.3
259.02396	13.4
261.03882	2.1
270.01697	6.2
271.02472	59.7
272.03091	12.7
273.03964	11.1
283.02472	4.9
284.03317	9.6
285.04077	12.0
286.04645	1.9
287.01892	18.2
288.02530	4.2
289.03452	2.7
299.01959	83.1
300.02472	9.9
301.03513	11.7
301.07217	7.1
316.02225	47.1
317.02975	26.1
340.50027	1.9
397.13516	34.6
415.14633	19.0
436.54199	1.9
513.12848	4.3
517.12408	4.0
525.16272	3.8
581.15277	4.7
597.14612	3.9
607.12848	10.4
608.13702	3.1
625.14154	84.1
626.14319	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	625.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48172	0.7
59.01240	1.3
61.13529	0.8
63.02265	1.2
65.00185	3.2
71.01260	1.3
76.56282	0.7
83.01239	1.2
87.00752	0.7
88.27316	0.7
89.02343	0.9
95.01252	2.4
99.00759	1.7
107.01282	3.7
108.02058	1.4
109.02836	3.3
109.99972	7.2
111.00743	3.3
115.61630	0.8
123.00795	3.7
124.01519	2.8
125.02301	3.3
133.02713	0.9
136.98741	1.7
137.02339	1.3
137.99460	4.3
139.00275	11.2
143.04918	1.3
146.03670	0.9
148.01466	0.8
149.02376	1.0
151.00262	14.3
152.01076	5.6
153.01820	1.8
155.04919	0.9
159.04379	1.9
161.02347	2.2
163.00282	4.3
164.01036	2.7
165.01707	0.9
165.98987	9.7
166.99762	5.8
169.01405	1.3
169.02890	1.0
171.04411	2.7
173.02319	0.9
174.03053	1.7
175.03940	1.2
176.01152	1.1
178.99765	14.0
183.04419	1.9
185.02315	1.4
186.03062	1.5
187.03925	2.5
189.01816	2.3
190.99681	0.8
193.01332	1.0
194.99248	1.8
197.02374	1.1
198.03099	1.3
199.03915	6.0
201.01900	4.1
201.05518	1.5
203.03377	3.2
205.01361	1.0
206.99319	2.8
208.00116	1.9
209.11777	2.4
211.03963	1.6
213.01663	1.4
214.02660	3.4
215.03424	4.4
217.01347	1.3
226.02679	1.1
227.03490	7.2
229.01317	1.4
230.02251	1.0
231.02936	4.8
232.03459	2.0
241.01389	1.6
242.02209	5.8
243.02969	12.2
244.03459	1.9
245.04410	2.2
246.01622	0.8
254.02068	1.2
255.02913	8.8
256.03482	1.6
259.02466	5.8
260.03098	1.2
270.01706	10.0
271.02463	52.9
272.03052	9.6
273.03970	4.3
287.01971	20.2
288.02744	8.3
289.03210	2.2
298.01144	2.5
299.01962	50.3
300.02521	5.5
301.03470	2.7
315.01468	3.4
316.02203	67.1
317.02969	40.3
318.03290	3.1
341.03152	1.0
383.58383	0.8
384.14297	0.9
489.12408	1.9
525.12177	1.0
581.15082	2.6
607.13147	4.9
608.13702	1.3
625.14069	100.0
626.14636	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	624.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02847	7.2
58.99461	1.6
60.50842	0.8
66.03344	1.2
67.37478	0.9
70.02866	1.2
71.16715	2.3
72.00784	1.6
74.02345	15.7
78.95777	0.9
79.89630	0.8
81.04500	1.2
82.02866	1.6
84.04440	1.0
86.02341	6.2
86.06010	1.7
86.98962	2.0
87.05511	3.6
90.00054	1.4
96.95895	1.2
97.03957	1.5
99.05518	12.4
101.07079	2.7
102.05470	2.4
109.03963	2.1
109.07620	1.4
112.03949	1.6
116.01598	1.3
120.01151	1.0
123.05531	1.7
125.03467	1.9
127.05060	2.9
128.03438	43.9
135.05519	4.3
137.07098	1.1
141.06592	2.5
143.04527	58.2
144.04858	1.5
145.06110	2.9
146.04485	6.4
153.06593	3.5
160.00648	12.8
166.09839	2.5
167.04564	4.2
167.08186	2.8
170.03276	1.2
171.07672	1.5
177.03279	4.6
179.04547	12.1
181.06108	1.4
185.05707	1.6
192.07671	1.5
196.13248	1.0
197.05640	1.7
199.07175	0.9
201.40556	0.9
210.06870	2.1
210.08789	15.6
213.03447	1.1
230.78700	0.9
242.07845	1.3
254.07813	17.7
264.27158	1.0
272.08896	27.4
273.09125	1.0
288.06570	6.6
293.04303	1.1
306.07660	100.0
307.07874	5.8
313.36761	1.0
332.09299	4.1
624.24329	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	624.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02849	9.6
59.01256	2.4
62.02223	1.0
70.02850	1.1
70.56297	3.8
71.01273	2.1
72.00784	1.4
74.02347	15.5
78.95821	2.4
79.29552	1.0
80.03683	1.1
81.04449	1.4
82.02869	1.8
86.02357	5.6
87.05534	3.3
89.02302	1.3
96.95865	1.6
97.03967	2.0
99.05521	14.6
101.07092	2.4
102.05517	1.5
103.36951	1.1
109.03957	2.0
111.05500	1.0
112.03931	3.4
116.01638	2.0
121.02885	2.4
123.05521	1.6
125.03442	1.8
125.07104	1.0
127.05051	3.8
127.56062	0.9
128.03435	41.8
135.05556	4.6
141.06596	2.6
143.04530	54.2
145.06081	3.0
146.04495	3.8
152.99496	1.5
153.06583	3.4
160.00667	12.5
166.09703	2.0
167.04552	2.9
167.08218	2.3
169.69093	0.9
177.03326	4.1
178.13309	0.9
179.04546	11.3
181.06125	1.2
185.05652	1.4
192.07700	0.9
197.05705	1.9
199.07150	1.0
209.11691	2.4
210.08751	11.4
211.08981	1.1
254.07845	16.8
272.08881	28.0
288.06570	7.8
306.07657	100.0
307.08109	5.2
314.12729	1.1
332.09143	3.5
355.02005	1.0
415.15295	1.9
433.16656	1.5
445.16684	1.1
463.17480	4.7
510.57135	1.1
573.71692	1.0
576.46356	1.1
624.24377	4.5
625.23505	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49517	1.2
59.01249	3.3
66.00855	1.7
68.02403	9.1
71.01228	1.8
76.03951	1.3
78.95777	13.1
89.02364	1.3
93.00273	1.3
98.19790	2.5
106.04127	24.0
108.02030	11.3
110.98433	8.5
124.07585	1.5
126.99451	22.9
128.99188	9.9
138.03142	5.4
148.08669	3.3
167.01099	4.7
171.10248	1.7
185.02139	6.8
190.10884	8.0
211.13101	1.3
217.12012	59.1
218.12300	5.5
238.45923	1.4
276.09033	5.3
278.08624	3.1
305.21188	15.5
306.21545	2.9
311.22275	6.2
347.25815	1.8
349.27405	11.3
437.30774	8.8
455.31625	100.0
456.32037	14.6
623.33557	40.1
623.43835	2.4
624.33832	11.1
626.97736	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	623.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.9
57.03315	2.9
59.01250	12.0
61.98701	9.7
62.76510	0.7
65.58729	0.9
69.03316	0.9
71.01251	5.6
71.06503	0.7
71.57569	1.2
72.99160	1.0
73.02799	1.4
75.00739	3.3
78.95776	73.7
80.02547	1.2
80.96387	2.0
81.03332	2.7
83.01260	3.2
83.04883	2.9
84.87507	0.9
85.02820	5.6
89.02320	2.7
95.04907	2.4
96.95868	2.5
96.96837	13.4
97.02831	3.3
97.06457	3.9
98.20249	0.9
99.04387	1.4
101.02315	2.9
109.06496	3.8
111.00771	1.1
112.20329	0.8
113.02310	1.6
118.98250	0.8
119.03400	1.1
121.06474	1.1
123.04398	3.0
123.08038	1.6
125.09616	6.5
126.99487	1.0
133.04958	0.9
135.08034	1.7
137.09595	2.8
142.02596	0.9
149.05978	1.1
150.97952	1.5
151.11121	0.9
152.99490	74.9
153.99886	1.5
161.09438	1.2
163.11215	7.1
165.12726	1.9
171.00597	2.5
171.10214	6.6
172.10551	2.6
173.10652	1.1
179.05450	0.8
179.10713	1.9
181.12199	3.9
185.11757	3.9
191.10713	1.6
191.14381	2.2
195.10291	0.9
207.10196	11.7
208.10493	1.1
208.52766	0.9
209.11780	20.7
211.13318	2.1
217.15964	1.0
223.00081	6.8
225.11276	7.7
241.01157	31.4
242.01483	0.8
245.19037	6.1
259.02267	2.6
271.17166	1.2
273.14969	2.2
289.18106	13.4
290.18469	1.1
307.19150	10.7
308.19553	1.4
308.62000	0.8
315.04858	11.3
333.05838	1.9
397.13550	2.5
415.14667	2.0
443.28271	1.5
563.34460	1.9
581.35419	2.1
623.24731	100.0
624.24884	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	623.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11041	1.2
55.01741	1.3
57.03321	1.7
65.03835	23.4
69.48272	2.9
69.48698	4.9
71.03219	1.0
71.04894	13.0
74.64986	0.9
78.95779	69.4
83.04910	1.4
96.96842	13.2
97.06474	21.2
98.19852	2.1
107.04919	1.1
109.06505	1.2
119.08561	3.1
121.06491	25.5
123.08019	1.4
125.09622	17.7
133.01343	1.5
152.99495	71.2
153.99887	1.4
169.08615	1.3
171.00533	1.5
185.11781	17.9
209.11766	10.1
210.11989	1.0
211.13374	9.9
223.00105	6.3
235.13345	20.5
236.13768	1.1
241.01170	28.6
259.02158	2.3
289.18106	4.1
307.19189	10.5
311.98422	1.0
315.04883	10.6
333.05817	1.9
495.39297	1.0
507.61948	0.9
550.28107	1.3
623.24731	100.0
624.25055	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58934	0.9
55.01764	1.2
59.01262	1.2
65.03835	13.1
67.32075	0.8
69.27230	1.0
69.50201	7.8
71.01242	1.4
71.04894	6.2
78.95781	69.7
96.96848	13.5
97.06470	12.3
98.19825	1.8
119.08541	1.4
121.06493	15.0
125.09618	8.5
132.23650	1.0
133.35306	0.9
152.99501	45.1
159.35864	0.9
163.70633	0.9
167.98531	0.9
171.00674	0.9
171.10156	2.0
185.11780	11.5
202.46864	1.1
209.11760	5.0
211.13405	6.1
223.00069	1.5
235.13374	13.3
236.13602	1.1
241.01154	35.3
248.52022	0.9
259.02316	1.2
289.18152	6.1
307.19104	6.8
315.04868	4.5
396.74451	0.9
443.18594	9.0
444.52542	0.9
461.19757	3.9
623.24762	100.0
624.25146	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	623.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.6
59.01249	10.5
61.98709	3.4
64.90659	0.7
71.01244	6.1
71.57904	1.0
72.99188	0.9
75.00737	0.9
78.91767	0.8
78.95774	73.4
80.96352	1.0
81.03355	1.7
83.01257	2.6
83.04896	2.2
85.02827	3.5
87.00739	0.8
89.02307	4.6
91.48121	0.6
95.01263	0.9
95.04874	0.9
96.95890	2.2
96.96217	0.9
96.96840	16.3
97.02820	1.2
97.06471	2.5
97.19712	0.7
99.04401	1.5
101.02338	3.7
102.51379	0.7
109.06491	3.4
119.03355	0.9
121.06516	0.8
123.04436	2.6
125.09594	4.3
135.08064	0.9
137.09631	2.3
150.97972	1.4
151.11134	1.5
152.99495	47.2
158.72908	0.7
161.04465	0.9
163.11169	4.7
164.01019	1.0
165.12801	1.5
167.10574	0.8
171.00414	0.9
171.10100	1.4
173.28967	0.7
179.05504	1.0
181.12207	1.8
185.11752	3.1
186.35736	0.8
191.01863	0.7
191.10715	1.1
191.14337	2.5
207.10208	8.7
209.11731	9.7
211.13330	2.9
223.00070	1.0
225.11279	5.4
229.15947	1.0
241.01160	31.7
242.01584	1.5
245.18958	4.1
259.02283	1.2
271.16855	0.8
273.14890	2.8
289.18097	8.9
307.19125	6.4
315.04877	5.3
397.13547	1.3
415.14282	1.7
420.55426	0.8
443.18259	7.4
477.19229	1.3
623.24799	100.0
623.35645	7.7
624.25183	16.5
624.35449	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44041	1.0
58.58828	1.0
59.01249	5.5
68.22366	1.2
70.18261	2.4
70.18679	3.6
71.01253	1.4
71.04889	1.7
78.95786	14.2
80.96381	1.2
88.95833	1.1
93.03358	2.0
95.61340	1.1
96.95901	1.1
96.96838	3.0
97.09118	1.1
98.19838	1.4
101.87162	1.2
119.04914	7.3
121.02869	5.5
130.04161	6.8
131.04930	15.5
134.03612	1.4
135.04385	3.1
143.04895	1.1
147.04427	100.0
148.04750	5.1
149.05983	4.9
152.99507	14.2
160.05254	1.7
161.05988	1.5
165.05496	3.8
185.76457	1.1
223.07724	1.4
233.52107	1.2
236.08524	1.5
247.07664	1.6
275.07126	5.3
276.07758	1.9
288.95667	1.1
289.18091	2.1
291.19611	2.6
292.19958	1.5
307.19012	2.6
323.22165	3.3
324.22656	1.7
351.10336	1.5
353.12119	2.5
361.12341	1.4
363.10294	2.4
365.11752	3.6
369.11334	1.7
370.12009	2.0
371.17499	1.3
375.10098	2.2
376.10995	1.3
377.11880	4.5
379.09555	1.6
379.13782	1.6
381.11212	3.7
382.12094	3.7
383.12863	4.9
393.11295	5.8
394.12030	4.0
395.13058	5.4
396.09760	1.6
397.14539	1.8
398.11453	4.1
399.12274	1.4
405.11237	2.3
410.11313	1.4
411.12277	4.8
412.12906	4.1
413.13937	3.8
415.15448	3.1
421.14215	1.4
423.12253	4.9
424.12830	2.3
425.13785	3.8
427.15622	7.5
439.15326	1.4
442.14352	2.1
443.09512	1.2
443.14819	5.4
445.16510	12.0
455.15146	8.5
457.16498	14.1
458.16495	1.8
461.19431	4.4
475.17865	5.8
495.16220	2.2
501.16971	6.9
502.17139	1.5
507.15659	1.6
513.17078	13.1
514.17578	2.0
525.16949	3.8
531.18176	32.5
532.18365	5.9
543.18097	39.6
544.18835	6.1
548.30170	2.9
549.30341	4.0
561.19495	7.8
563.20648	2.0
573.18921	5.2
574.19031	2.1
575.20502	3.5
593.21808	45.2
594.22113	8.9
605.11926	2.6
605.21857	49.7
606.22437	10.5
623.24799	10.8
623.35535	1.3
624.23407	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84008	0.5
59.01250	1.7
60.36070	0.6
61.02529	0.6
70.69377	1.3
70.69736	0.8
71.01265	2.3
75.00729	0.8
78.95780	7.9
80.96391	1.0
92.04922	0.6
93.03331	1.3
101.02312	0.9
107.04906	0.8
107.46467	0.6
119.04923	5.8
121.02844	14.4
134.03598	0.6
135.04401	2.4
145.06552	0.6
147.04424	100.0
148.04735	4.0
152.99467	7.4
160.05212	1.3
165.05547	1.5
223.07681	0.8
239.07027	0.9
241.01285	0.8
248.97144	0.7
249.05528	1.4
255.06689	0.9
265.08685	0.8
266.05948	0.8
267.06635	2.1
279.27518	0.7
281.08109	1.4
293.08017	1.3
370.11957	0.9
383.13113	0.8
387.02762	0.7
425.13898	1.1
427.15829	0.6
430.14252	1.1
431.14804	2.4
442.14087	2.9
443.14761	1.6
445.16586	5.4
446.17285	0.7
457.16525	16.2
458.16898	2.4
461.19473	2.1
475.17621	17.2
476.17929	2.7
501.17050	0.8
533.19281	0.7
543.18103	0.6
561.19177	12.3
562.19440	2.1
575.20807	1.4
587.21271	0.6
591.20270	1.8
593.21497	0.9
605.21893	1.7
623.23492	10.2
623.38519	1.7
624.23938	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	6.1
59.45918	1.1
69.56923	3.4
69.57350	5.2
71.01263	2.4
71.04877	2.5
73.18256	1.0
78.95770	10.0
78.96557	0.9
78.97869	1.0
80.00101	0.9
80.96374	1.3
93.03311	1.3
101.02370	1.1
107.04867	1.3
113.02332	1.6
114.29326	1.1
117.03359	1.6
119.04916	4.6
121.02843	4.4
130.04106	4.9
131.04939	13.0
131.49527	1.1
135.04440	2.6
137.08514	1.0
139.29419	1.0
143.04884	1.2
145.06488	1.2
147.04430	100.0
148.04759	4.2
149.06020	5.5
152.99500	11.3
160.05171	2.0
161.05914	1.2
165.05420	2.8
173.06038	1.7
181.19696	1.2
207.13960	0.9
220.13773	0.9
247.07587	2.8
263.07147	1.7
275.07059	6.1
276.07916	1.2
287.60925	1.0
289.18143	2.0
291.19635	2.2
292.19919	1.4
307.19083	2.3
323.11063	1.1
323.22171	4.5
324.22552	1.3
335.10828	1.2
347.10635	1.5
349.11990	1.2
353.11801	2.7
354.12387	1.1
363.10352	1.8
365.11768	3.7
369.11011	2.1
377.11877	4.5
378.12082	1.3
381.11276	4.0
382.12238	2.1
383.12820	4.5
385.10571	1.3
393.11288	5.5
394.12003	3.6
395.12900	5.0
397.10403	1.7
397.14883	1.6
398.11459	2.8
405.11761	1.7
407.12692	1.3
410.11603	1.9
411.12231	4.4
412.13135	2.9
413.13959	3.3
415.15521	3.0
423.12335	2.7
424.13089	2.2
425.13727	2.6
427.15613	6.9
439.15369	3.3
442.13989	2.4
443.14996	3.8
445.16669	11.9
446.16989	1.2
455.15054	7.3
457.16614	12.2
461.20035	1.5
473.17731	1.6
475.17282	2.9
501.17020	6.5
503.18558	2.2
513.17114	10.8
515.18469	1.4
525.17010	4.8
527.73047	1.0
531.18188	26.9
532.18439	5.1
543.18158	29.2
544.18390	5.0
548.29816	1.8
549.30322	3.9
561.19006	6.0
563.20544	1.6
573.19183	4.9
575.20563	1.8
576.21362	1.3
593.21826	39.2
594.21912	6.9
605.21899	33.8
606.22418	5.4
623.24811	8.6
623.38098	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06307	0.4
57.03322	0.3
59.01231	0.6
61.13575	0.3
65.00206	0.9
67.36175	0.3
71.01254	0.5
71.37518	0.5
79.23087	0.4
83.01253	0.6
85.02824	1.4
86.53728	0.4
95.13634	0.4
95.61749	0.4
96.95861	0.4
100.91879	0.4
107.01263	1.3
108.02080	0.5
135.00781	0.4
145.02856	0.6
148.01599	0.6
151.00278	3.5
155.04948	0.6
163.00250	0.5
171.04439	0.7
183.04456	1.1
185.02347	0.5
187.03909	1.0
191.01849	0.5
199.03888	4.1
201.01886	0.4
211.03944	0.8
215.03358	2.5
226.02577	0.7
227.03455	5.2
228.04100	0.6
229.01260	0.5
242.02174	2.9
243.02943	25.3
244.03526	2.7
254.02209	1.4
255.02945	16.6
256.03400	1.5
257.04507	3.1
259.06113	0.4
270.01712	2.5
271.02463	41.0
272.02969	6.2
284.03110	0.4
285.03986	5.3
286.04684	1.4
287.05582	1.5
299.01959	38.8
300.02701	34.2
301.03061	2.7
313.03653	0.8
313.06888	0.4
314.04306	29.7
315.05081	100.0
316.05435	7.6
357.06155	0.9
490.58499	0.5
552.26953	0.4
623.16132	79.8
624.16492	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1613
Annotation	Isorhamnetin-3-Galactoside-6''-Rhamnoside
Peak:m/z	Relative Intensity
52.60621	0.3
58.58481	0.3
63.02266	0.3
65.00180	1.5
69.23148	0.6
87.78495	0.3
93.03323	0.6
97.02840	1.0
107.01292	0.4
108.02119	0.4
109.02826	2.6
121.02831	4.0
147.00771	0.3
149.02290	0.4
149.99519	0.6
151.00273	1.0
163.00256	0.8
163.03944	0.6
165.01836	15.2
166.02173	0.8
171.04469	0.6
183.02838	0.4
183.04416	0.4
187.03885	0.7
190.99829	0.3
191.03448	0.5
193.01361	3.3
199.03947	2.7
200.70877	0.4
201.01859	0.7
203.03397	0.4
207.02951	0.3
215.03450	1.9
226.02644	1.9
227.03397	3.5
228.04080	0.7
242.02155	0.6
243.02933	6.3
244.03476	0.6
254.02167	2.5
255.02957	2.6
256.03763	0.6
257.04559	0.4
259.06107	0.5
269.04501	2.1
270.01691	1.0
270.04730	0.4
271.02460	72.8
272.02844	5.3
282.01614	0.6
285.04047	2.5
286.04630	0.8
287.05609	1.1
297.04047	0.9
299.01944	100.0
300.02524	15.2
301.03220	0.6
313.03531	0.5
314.04303	81.1
315.05023	43.1
315.08908	0.8
316.05414	2.7
357.06186	0.7
512.25885	0.3
623.16125	90.2
624.16449	14.3
629.29163	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02703	0.3
53.31604	0.3
53.34443	0.4
56.82672	0.4
59.01244	0.8
65.26454	0.4
66.00842	3.4
68.02404	9.6
71.57657	0.5
78.95779	2.3
82.26855	0.4
87.62685	0.4
106.02740	0.4
106.04114	2.1
108.02035	1.5
110.98418	1.7
116.92749	0.7
124.07577	2.1
126.99458	37.3
127.99796	1.7
128.99165	18.7
133.03867	2.3
138.03157	0.6
148.08699	3.7
151.00618	0.8
163.09787	0.6
167.01065	1.3
171.10184	1.0
173.51340	0.5
185.02133	1.2
190.10910	13.9
191.11325	1.1
202.01683	0.9
204.01382	0.5
209.78816	0.4
217.12019	100.0
218.12347	6.5
225.11275	1.0
258.08047	1.2
276.09076	10.4
277.09344	1.1
278.08783	4.1
293.21295	0.9
305.21194	2.8
311.22369	2.5
329.23392	0.8
337.42902	0.4
347.26358	0.5
349.27496	1.1
437.30643	0.9
455.31650	13.5
483.26886	0.4
623.24432	0.6
623.33594	6.5
623.44733	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	622.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94432	1.1
57.03323	3.7
59.01237	2.2
68.02413	8.0
71.01239	2.6
71.58230	1.6
78.95779	32.2
83.01211	1.3
96.95895	1.1
96.96826	1.7
97.06476	13.4
123.08039	6.4
125.09615	98.6
126.09915	2.0
126.99450	16.0
127.99741	1.4
128.99142	3.6
136.58720	1.1
140.01117	11.1
146.63799	1.1
151.21169	1.3
152.08202	2.6
152.99496	11.9
162.77016	1.4
169.08589	2.8
171.10226	1.2
187.09688	100.0
188.10007	3.4
196.03731	9.1
217.12091	1.1
230.13902	4.7
247.45062	1.2
255.23241	20.7
256.23605	2.1
307.26410	1.4
335.73309	1.2
366.13257	9.0
452.27737	4.2
592.09241	1.6
622.37244	59.3
623.37988	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	621.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	5.3
68.02409	6.3
69.93961	7.2
73.02821	1.5
78.95786	4.1
80.02536	1.4
83.04888	1.8
84.75041	1.3
97.06428	2.3
99.08044	2.2
104.71812	1.3
112.05140	1.3
112.94738	1.4
113.09588	3.0
123.81548	1.4
125.09650	2.9
126.99489	3.2
127.11200	3.1
129.09119	2.3
137.09613	2.1
139.11169	1.4
143.07150	1.4
144.77136	1.3
149.87317	1.4
152.08231	10.2
152.99428	4.7
153.08487	1.3
155.10689	14.2
157.08621	5.9
160.95659	3.2
162.95282	4.1
165.12784	8.4
167.10625	1.7
169.12267	2.1
171.10181	15.2
178.06725	1.3
181.12231	4.4
181.81937	1.4
183.13748	1.4
185.11726	3.5
193.15878	2.5
197.11749	8.6
199.07462	1.6
199.13258	2.3
209.11708	2.4
211.13371	6.6
240.45177	1.3
247.20665	8.1
273.18610	2.8
291.16275	2.4
291.19662	69.7
292.20020	6.7
293.21246	5.9
309.20703	100.0
310.21060	7.6
311.22256	51.8
312.22519	3.6
327.21756	32.2
328.22037	2.8
329.23196	2.8
361.11823	3.2
385.12924	3.7
391.15060	1.5
585.42163	1.8
603.42566	2.6
621.44165	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	621.4006
Annotation	Beesioside A
Peak:m/z	Relative Intensity
55.01756	2.1
59.01250	16.0
65.98390	0.8
68.02403	1.0
71.01250	17.0
72.99171	0.9
73.02830	3.0
73.90447	0.7
75.20228	0.8
76.93513	0.9
76.93982	0.8
78.95772	2.6
83.01248	3.2
85.02827	7.7
89.02319	8.5
95.01278	1.4
101.02325	11.4
110.30420	0.8
113.02328	5.1
119.03398	1.7
125.82096	0.9
150.80141	0.8
152.99556	1.5
169.80014	0.8
187.09685	2.1
214.66280	1.1
317.28439	2.0
318.29169	0.9
329.23346	1.8
396.35614	0.8
397.34628	1.7
415.07166	0.9
423.32703	3.4
441.33743	8.5
442.33575	1.0
456.64130	0.9
471.02579	0.9
603.39148	6.2
621.40039	100.0
622.40356	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	621.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27788	0.5
57.03329	2.3
58.00462	0.5
59.01254	4.5
69.03333	0.5
71.01257	2.4
71.57370	0.5
72.99173	0.9
73.02816	0.9
75.00742	1.1
78.95758	0.7
85.02810	3.8
87.00755	0.6
89.02317	1.4
96.95885	3.8
97.06475	5.6
101.02331	2.5
103.49849	0.4
111.00767	0.9
113.02340	0.5
116.18483	0.4
119.03347	0.8
123.08058	2.7
125.02241	0.6
125.09610	49.2
126.09965	2.0
133.04918	0.7
143.03387	0.7
143.10709	0.5
151.46382	0.4
153.53447	0.5
163.06018	1.9
169.08563	2.3
187.09677	100.0
188.10033	4.5
191.01898	1.4
209.02834	1.0
211.13271	1.3
403.61737	0.5
473.98932	0.5
561.29633	0.8
621.15485	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.7
57.03324	3.8
58.00470	2.9
58.16396	0.3
59.01250	100.0
60.01582	0.8
60.64377	0.2
67.01760	0.3
68.99686	0.4
69.03335	1.4
71.01252	68.4
71.48872	0.3
72.01602	0.7
72.99180	3.0
73.02820	14.3
74.03143	0.3
75.00737	1.0
81.03326	0.5
83.01256	8.7
84.02054	0.6
85.02823	28.1
85.99964	0.6
87.00747	6.1
87.04396	2.0
89.02317	32.6
90.02657	0.5
95.01268	6.2
96.01571	0.3
96.95864	0.5
97.02831	2.8
99.00755	6.2
101.02322	37.4
101.05968	1.4
102.02653	0.6
111.00768	1.6
112.01566	1.1
113.02330	38.3
114.02675	0.8
115.03904	0.5
119.03387	13.0
124.01546	1.0
125.02344	5.8
129.01828	2.0
130.02126	0.3
131.03403	1.4
143.03406	6.3
144.03697	0.3
149.04459	0.8
151.03896	0.3
159.02888	2.6
161.04460	13.1
161.05811	0.6
162.04729	0.3
177.03955	0.3
179.05510	4.1
205.03448	0.3
255.19548	0.7
281.03033	0.2
297.20752	0.4
303.13547	0.3
313.03778	0.3
399.18546	0.4
399.23853	9.8
400.24194	0.9
417.24921	13.2
418.25217	1.1
450.67136	0.3
459.25861	0.4
487.25385	0.7
513.26984	0.4
525.27112	1.1
531.27917	0.4
561.29138	66.2
562.20691	0.3
562.29443	8.7
579.30188	55.9
580.30634	7.5
621.14874	0.4
621.31531	3.0
622.31183	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24912	0.9
59.01245	2.8
69.86657	6.3
71.01249	4.9
74.89261	0.9
75.00746	16.8
76.50430	1.1
80.89745	1.0
85.02818	4.0
86.94503	1.0
89.02310	2.5
92.88954	1.1
101.02335	2.9
119.04900	1.3
121.02841	100.0
122.03158	3.2
138.85400	1.0
145.06454	1.9
161.04446	3.8
209.02994	1.7
251.10815	1.1
295.10263	3.7
297.11292	71.3
298.11719	6.0
312.02951	1.8
313.03287	2.5
353.10947	7.0
459.16785	9.7
518.10449	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	621.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47684	1.9
55.02191	2.2
57.03332	3.5
59.01250	100.0
61.98711	3.5
69.03310	3.3
70.75479	2.0
71.01257	14.7
72.99178	4.1
73.02821	4.0
75.00747	9.3
78.95792	5.8
83.01258	4.0
84.02054	2.5
85.02826	30.6
87.00764	3.3
89.02314	7.4
93.03333	5.6
95.04928	3.8
96.95896	9.4
101.02335	8.6
108.02037	12.6
111.00724	3.5
113.02325	8.3
117.44321	2.2
119.03391	2.0
123.04414	72.4
124.04774	2.3
125.02354	4.1
128.03416	6.4
129.01817	2.1
133.02786	2.5
133.04985	5.1
135.04410	3.1
137.02316	6.8
139.00269	2.2
143.04506	3.5
147.02925	2.8
152.01076	20.2
152.99522	2.7
161.04489	2.7
161.13271	4.2
164.17378	2.1
165.01854	4.7
167.01956	2.5
167.03407	52.7
171.10175	4.3
173.00816	2.3
187.11153	13.3
191.01892	14.9
200.92348	2.3
205.12346	6.5
209.02914	5.5
223.13345	16.6
249.09225	3.1
271.02454	5.0
272.08804	6.4
279.10162	3.4
299.01910	8.8
304.06180	6.4
313.03494	5.1
314.04120	3.5
315.04892	4.0
328.05743	4.9
349.16623	3.1
354.02615	2.8
355.03210	9.2
356.03934	5.3
372.99246	2.6
397.13516	8.1
411.14191	3.1
415.14474	4.9
441.12283	2.4
459.09430	2.6
459.26196	2.4
467.10666	3.7
477.10382	2.8
517.21002	3.1
535.21985	2.9
577.12659	2.6
577.22638	4.4
621.19928	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	621.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	3.5
57.03311	3.9
58.00471	5.7
59.01253	100.0
62.64269	3.1
64.15031	3.4
70.67234	3.2
70.77297	7.0
71.01254	89.0
72.99186	6.7
73.02833	8.5
73.55392	2.6
78.95784	13.8
83.01281	7.6
85.02819	29.6
87.00756	4.9
89.02320	95.2
93.03357	5.6
95.01258	8.0
96.95876	10.9
99.00770	9.2
101.02322	48.3
113.02344	35.3
113.78075	3.4
119.03391	32.2
121.02846	26.5
125.02330	5.7
128.03481	4.7
131.03416	3.2
136.54323	2.8
143.03427	8.2
152.99489	3.3
161.04485	26.3
168.33665	3.1
179.05591	25.5
195.04703	3.8
209.11880	3.5
249.09184	5.7
267.10059	3.2
279.10400	3.9
284.26163	3.2
306.07703	5.1
323.09802	34.7
324.10394	3.8
441.15091	7.9
645.93256	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20617	1.6
58.00462	3.8
59.01254	80.4
67.26413	1.7
70.55897	6.3
71.01257	57.2
72.99200	3.2
84.90598	1.6
85.02826	10.4
87.00730	3.9
89.02323	100.0
90.02662	3.9
93.03333	12.1
95.01252	4.0
101.02328	37.0
113.02333	31.1
119.03395	41.1
119.04867	4.8
119.91241	1.9
125.02355	1.8
131.03401	3.0
131.04932	2.8
141.14290	1.7
143.03412	10.4
145.06477	3.6
149.04486	1.8
155.90578	1.6
157.08530	1.8
161.04434	15.0
173.06009	7.5
173.43579	2.1
179.05544	63.2
249.06842	2.5
249.09233	37.4
250.09647	3.2
271.70081	1.8
279.10223	22.3
306.07553	2.4
321.11292	4.8
351.59592	1.7
429.15494	40.4
430.15918	5.4
441.15552	57.4
442.15829	7.9
459.16656	6.2
484.80765	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	620.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	25.9
65.03837	2.6
65.16061	1.9
69.78096	12.3
71.01264	14.1
78.95782	17.7
83.01257	2.9
85.02808	8.6
86.02368	3.1
89.02327	15.9
95.01221	2.1
96.96764	2.2
98.02358	51.6
101.02307	7.4
108.74886	1.9
110.02368	50.5
113.02320	4.4
119.03379	5.4
128.03406	3.5
152.07060	2.7
152.99495	26.5
154.04997	8.6
171.10278	2.3
176.56097	1.9
225.22185	9.0
254.07741	2.5
277.21954	2.2
312.25333	5.4
380.28052	22.4
419.70670	2.0
431.21896	2.9
568.01056	2.0
620.36542	100.0
621.36694	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00470	3.5
59.01254	97.2
70.02837	6.1
71.01257	67.9
72.04417	4.9
72.99178	6.2
73.02808	4.7
77.35633	2.0
78.95779	12.8
83.01258	5.5
83.73990	2.2
84.02036	2.3
85.02824	14.3
87.50842	2.3
89.02316	80.5
90.69263	2.5
95.01283	3.2
98.02358	7.7
101.02327	44.5
113.02334	22.4
115.03915	13.1
119.02574	3.5
119.03394	47.6
125.05990	7.6
131.03354	4.2
143.03371	8.0
149.04407	4.4
152.99496	10.8
158.70535	2.3
161.04465	5.8
169.04947	6.6
170.71486	2.4
179.05556	19.5
186.07622	4.4
225.22189	41.1
253.21664	4.7
270.24408	3.2
271.22632	11.5
296.25916	3.1
326.23141	5.7
326.26993	100.0
327.27328	7.8
403.48322	2.6
440.30222	25.7
458.31317	7.0
572.96179	3.0
597.42249	2.8
620.36597	75.2
621.37207	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	620.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	5.6
59.01249	78.9
69.22446	4.2
69.31836	39.2
69.33337	4.9
71.01244	22.5
72.99156	4.9
73.02802	11.6
74.76254	3.8
75.00748	4.5
75.96223	3.7
85.02842	28.5
89.02325	7.2
93.03295	7.8
96.95875	13.6
101.02316	18.3
108.02082	7.7
109.02804	12.9
111.00745	6.3
113.02280	5.9
115.82206	3.7
118.88701	4.8
123.04407	37.9
123.92516	3.8
147.03091	13.5
148.01575	5.1
152.01051	28.9
160.00354	24.8
162.01831	11.7
163.00322	5.6
165.01869	20.8
166.02643	4.2
167.03410	71.3
175.00308	5.1
176.01004	16.6
178.71986	4.3
178.99721	7.1
187.11214	8.3
190.01402	8.0
191.01842	9.9
191.03435	15.3
200.03354	4.4
203.02161	35.7
205.03761	21.3
205.12296	7.8
209.02974	9.3
218.01003	5.5
218.04521	49.2
222.04135	6.4
223.13307	16.8
235.01143	4.6
254.02377	5.3
255.02759	5.2
268.00168	13.8
271.02438	17.0
272.02777	4.1
282.04147	23.3
283.02551	38.5
284.02853	8.7
298.03680	8.0
299.02045	8.4
299.05576	6.3
300.02499	6.2
310.03821	4.8
313.03369	16.3
314.04242	12.6
315.05063	11.8
317.32034	5.0
327.05066	7.3
328.05228	6.5
336.05017	5.9
338.03369	6.0
340.00949	5.9
354.02530	100.0
354.06293	18.5
355.02951	21.5
356.03970	9.9
371.06494	7.7
372.07126	8.6
390.30499	3.9
397.13342	13.5
440.11972	69.5
441.12079	11.7
466.09827	52.3
517.20605	7.0
558.12415	13.4
576.13782	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3849
Annotation	Cimigenoside
Peak:m/z	Relative Intensity
51.00761	1.0
55.01757	1.3
58.00486	0.9
59.00990	1.4
59.01254	15.4
70.91595	1.0
70.91920	2.0
71.01260	16.5
73.02805	2.7
78.95770	6.6
83.01257	2.4
85.02814	8.4
89.02325	6.4
95.01293	1.3
96.95901	4.2
99.00748	1.2
101.02316	9.0
107.98469	0.9
113.02322	4.2
119.03385	2.7
152.99501	3.3
161.04451	1.2
171.10225	1.4
202.22289	1.0
255.23285	2.5
297.24277	1.6
298.24667	1.1
303.23300	2.3
305.24576	1.1
309.20627	1.3
315.26865	1.4
395.33209	1.4
421.30969	3.8
439.32260	6.8
457.33441	1.0
462.21796	1.1
483.27249	1.3
601.37256	7.8
619.38501	100.0
620.38849	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	619.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58453	4.3
51.29607	5.1
59.01246	5.7
61.98693	6.9
69.03324	4.3
69.78474	6.9
69.78893	20.4
69.91148	5.0
71.01266	5.5
74.26834	4.0
78.95776	12.6
79.44731	3.9
80.93250	4.3
84.77911	4.0
96.95876	8.7
97.02831	18.4
98.49881	3.9
99.81432	4.1
125.52962	4.7
137.09637	5.1
152.99489	4.9
165.12727	9.8
171.10162	22.7
192.38750	4.9
199.90198	4.3
209.11775	6.3
211.13358	10.4
247.20572	6.6
268.01605	5.3
291.19672	56.7
292.19922	6.7
298.33621	4.4
309.20676	100.0
310.21069	10.6
332.59741	4.7
480.65533	4.8
562.13885	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	619.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00458	5.4
59.01254	81.3
62.76902	1.2
69.28298	2.2
69.28705	13.5
71.01256	75.1
72.01579	1.9
72.99176	4.9
75.82321	1.4
78.95775	5.2
83.04868	1.7
85.02818	7.8
87.00743	4.5
89.02321	100.0
95.01272	4.8
96.95901	9.5
96.96836	3.6
98.02356	1.7
101.02332	33.3
109.06448	4.4
113.02334	27.4
119.03395	38.6
120.03580	1.5
121.02859	3.4
123.04430	10.4
127.07571	9.7
128.03447	1.7
131.03368	4.8
133.06268	1.5
138.03091	5.6
143.03377	9.5
143.04437	3.0
147.04404	1.7
149.04495	4.2
153.05487	94.9
154.05803	4.8
160.67418	1.6
161.04482	13.2
165.01874	3.1
167.03394	2.1
171.06497	3.7
179.05547	61.2
180.05853	2.4
266.64322	1.7
277.08627	2.2
278.08945	1.7
285.09702	3.4
306.07535	3.2
319.84412	1.3
351.12930	3.0
439.16223	4.2
520.80133	1.6
560.12433	1.7
569.29279	1.8
619.22699	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82403	0.8
53.54027	0.8
55.80082	0.8
59.01257	3.1
61.07834	0.8
66.35193	0.8
71.01266	2.6
74.02325	1.0
78.95772	1.3
79.29987	0.9
81.06998	2.3
83.04916	1.6
89.02315	2.5
93.03333	0.8
96.95890	2.0
102.10184	0.8
109.05767	0.8
109.06488	5.8
113.02285	1.1
123.04421	18.1
127.07552	12.2
128.03473	1.9
138.03136	7.7
143.04449	2.1
153.05487	100.0
154.05814	3.2
171.06575	12.4
172.97849	0.8
202.17117	0.9
272.08878	1.0
306.07623	4.8
307.72720	0.9
329.35541	1.0
367.12778	0.9
439.16086	42.2
440.16345	5.1
441.57263	1.0
619.22620	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70142	1.6
59.01249	40.0
63.70889	1.8
70.19093	5.8
71.01242	26.3
72.99176	2.3
76.59863	1.6
78.43592	1.6
83.01248	2.1
85.02834	5.2
89.02310	35.2
96.95861	3.3
101.02313	16.1
113.02325	11.8
119.03358	14.5
123.04400	1.6
128.12872	1.7
132.02100	2.6
133.02866	12.1
135.04414	9.2
160.01596	3.3
161.02338	76.0
162.02716	4.2
179.03409	7.6
179.05489	2.1
233.08167	8.9
295.10327	100.0
296.10672	4.7
323.07712	55.9
324.07962	4.8
341.08893	2.6
368.11591	1.8
395.13452	5.8
404.04422	1.9
457.13727	4.8
521.86810	1.9
619.18884	23.9
620.18494	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	618.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	5.3
57.03318	2.7
58.00467	4.5
59.01249	81.2
60.01588	0.8
68.02410	6.9
68.41768	0.5
69.03328	4.7
69.31780	4.4
69.32192	0.9
71.01250	95.6
72.01600	1.1
72.99179	4.8
73.02816	39.4
74.03153	0.6
78.95770	0.6
81.03323	3.0
83.01255	17.6
85.02820	19.8
85.89230	0.5
87.00748	8.8
89.02313	77.5
90.02644	1.0
95.01263	6.2
97.02825	23.4
99.00747	4.0
99.04403	1.8
101.02318	100.0
102.02658	2.3
107.03389	0.8
111.00786	1.3
113.02326	35.0
115.03903	5.5
119.03384	30.6
120.03689	0.7
125.02335	4.8
126.99461	12.4
129.01726	0.6
131.03389	8.5
133.04932	0.7
143.03401	23.7
143.04535	1.2
149.04466	3.5
159.02890	1.9
161.04459	70.3
162.04762	2.0
166.09813	3.0
168.86559	0.5
171.10196	3.7
172.10548	0.7
179.05522	55.4
180.05884	1.5
209.11760	2.0
221.06612	16.9
227.12848	1.3
245.06573	1.5
263.04968	1.0
263.07700	17.1
264.07962	1.1
284.20190	0.7
284.23108	0.6
323.09683	1.0
456.15533	0.7
584.28857	0.7
618.20728	9.0
619.20636	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05802	1.1
59.01238	5.1
59.40551	1.3
60.55703	1.1
71.01256	2.6
71.21011	2.3
72.99156	1.4
73.02847	1.3
78.95755	2.7
80.98107	1.1
83.04892	1.4
85.02823	5.7
87.00735	1.5
88.03922	7.0
89.02327	1.7
94.10696	1.2
96.95908	8.4
101.02305	2.1
101.99765	1.3
102.05470	2.4
108.04443	2.7
110.04082	1.2
111.00687	2.2
119.03326	1.5
122.05978	3.9
133.04910	1.3
137.09583	6.9
145.47122	1.3
152.07060	5.7
152.99475	1.8
155.10681	100.0
156.11029	4.2
171.10172	22.0
181.12271	1.4
191.01930	1.4
197.94511	1.4
199.09691	95.1
200.10001	5.5
209.11758	18.3
210.12242	1.5
227.12830	2.9
253.09390	2.3
255.11378	5.6
264.81342	1.3
267.66522	1.4
338.52307	1.3
418.17661	1.7
462.16681	3.1
555.22345	4.4
573.23743	3.4
599.21637	3.1
617.22382	2.5
618.23389	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	616.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58059	0.3
77.11627	0.2
78.95779	4.9
79.95605	2.3
90.58843	0.2
96.95894	100.0
96.96783	6.1
97.95843	0.4
102.03351	0.2
104.62724	0.2
116.92764	0.4
132.98753	0.2
141.25206	0.2
152.99496	0.8
159.10201	0.2
162.49292	0.2
171.10068	0.3
179.28801	0.2
184.41766	0.2
255.88391	0.2
277.21817	0.4
553.03583	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.4
58.02844	0.5
59.01251	4.2
61.98711	0.8
62.24928	0.3
65.53935	0.3
69.03323	0.4
71.01258	3.9
72.99178	0.5
73.02854	0.4
74.02352	0.5
78.95773	0.7
80.02548	0.8
81.03323	0.8
83.01261	0.6
83.04896	3.5
84.02046	0.7
85.02831	1.6
87.00748	0.8
89.02318	2.4
93.03342	0.5
95.04891	0.4
96.95887	1.9
97.02830	0.5
101.02315	3.0
109.06499	0.6
111.00772	0.4
113.02348	1.4
119.03388	1.0
125.05965	0.7
125.09611	1.2
125.56898	0.4
127.11195	1.5
128.03423	1.4
135.08040	0.5
143.04544	1.5
145.04955	0.6
152.07077	0.5
152.99471	0.5
153.09122	0.4
160.00665	0.6
161.04489	1.2
163.11197	3.0
165.12807	1.6
171.10179	100.0
172.10536	4.3
178.96327	0.4
181.12257	0.5
191.01958	0.5
191.10677	0.9
199.13307	1.1
201.11050	0.4
209.11763	89.1
210.12115	5.7
227.12839	14.1
227.15140	0.6
228.13188	0.7
229.69141	0.5
235.08194	3.0
253.09236	8.7
272.08890	0.5
273.09332	0.4
306.07602	2.6
307.07971	1.8
351.87210	0.3
407.19241	1.2
431.19562	0.3
445.20657	0.8
581.30469	0.5
617.31952	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18807	0.9
58.02853	5.6
59.01254	2.6
61.98695	1.3
66.42775	0.8
66.88983	0.8
71.01255	2.5
71.57273	1.3
72.00792	1.0
72.44358	0.9
74.02340	14.8
78.95776	3.7
81.04446	1.2
82.02834	1.3
86.02338	5.5
86.05971	1.2
86.98982	1.8
87.05504	2.7
89.02318	1.2
90.00044	1.3
93.30814	0.9
96.04451	0.9
97.03973	1.0
99.05513	13.1
101.07069	3.0
102.05496	1.5
109.03927	2.7
112.03926	2.8
114.00236	0.9
123.05529	1.1
127.05022	1.9
128.03430	35.5
135.05534	3.4
141.06587	3.2
143.04527	49.2
145.06087	2.3
146.04482	4.7
147.04398	1.1
152.99486	2.5
153.06615	3.0
160.00661	13.8
166.09720	2.4
167.04552	3.8
167.08188	3.0
168.95352	0.8
177.03322	5.4
179.04555	9.8
181.06149	1.1
185.05661	1.7
192.07677	1.1
197.05470	1.1
210.08800	8.6
242.07715	1.5
254.07791	12.7
272.08878	27.2
273.09244	1.1
288.06589	10.3
306.07657	100.0
307.07858	5.5
370.60056	1.0
616.28119	1.4
616.36688	1.4
617.37000	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	615.4052
Annotation	Fucoxanthinol
Peak:m/z	Relative Intensity
57.03325	58.3
59.01255	23.1
68.14473	4.1
71.58078	4.5
75.24785	3.6
78.73325	3.3
78.95764	4.6
81.97427	3.9
83.04899	20.6
85.02816	4.2
96.01897	4.4
101.05988	5.0
106.80892	3.4
109.06507	6.9
123.08002	5.6
126.99451	19.4
128.99185	17.9
129.91920	4.0
137.09615	12.0
144.33160	4.0
147.08115	4.8
149.09715	3.9
171.08072	6.0
171.10104	4.6
175.11205	4.6
189.12869	4.4
205.12189	4.1
211.11316	4.9
215.14499	4.4
221.15479	5.1
227.14412	5.0
274.93964	4.0
357.16779	5.0
387.73648	3.9
423.26459	4.8
435.29266	10.0
539.35504	8.8
557.36481	25.6
561.37341	7.2
579.38379	31.4
580.38763	5.1
597.39691	31.7
598.39716	8.2
615.40540	100.0
616.41339	19.4
622.30920	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	616.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42796	1.0
58.02860	7.6
59.01237	3.1
61.98677	1.0
63.69926	0.9
71.01258	3.6
74.02352	15.0
78.95784	4.7
81.53115	1.1
82.02866	1.2
86.02354	5.0
86.06001	1.1
86.98997	2.4
87.05519	3.1
89.02291	1.4
90.35416	1.0
96.56700	1.1
96.95908	2.2
97.03967	1.6
98.19816	4.1
99.05521	10.9
101.02334	2.0
101.07100	2.0
102.05500	2.0
109.03979	2.5
111.05563	1.3
112.03911	1.7
116.01649	1.8
119.04965	1.9
123.05566	1.3
125.03490	1.4
127.05000	2.9
128.03435	35.7
129.03806	1.5
135.05519	4.0
141.06607	3.2
143.04529	49.0
144.04840	1.3
145.06142	1.5
146.04503	4.1
147.04456	1.4
152.99495	3.4
153.06569	3.7
160.00652	14.2
166.09825	1.6
167.04529	4.2
167.08122	1.8
177.03329	4.9
179.04524	11.6
185.05655	1.7
197.05659	1.8
210.08789	10.0
254.07765	15.8
263.79123	1.1
272.08875	27.1
272.11655	2.2
273.09085	1.5
288.06509	8.7
306.07654	100.0
307.08151	5.3
466.19769	1.2
598.19305	4.0
616.36810	1.6
617.36401	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	615.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98435	0.2
57.03329	0.2
65.48866	0.2
71.01259	0.4
71.06512	0.2
75.00703	0.2
76.33492	0.2
83.04900	0.3
85.02824	2.2
93.03351	1.1
96.95897	0.8
117.03317	0.4
119.04915	84.5
120.05240	3.1
121.02863	0.3
129.01830	0.2
129.51671	0.2
133.04921	0.3
135.04402	0.3
143.83398	0.2
147.02899	0.3
161.03401	0.2
162.89285	0.5
163.03915	100.0
164.04253	3.8
191.01883	0.9
193.05043	0.2
204.63676	0.2
209.02995	1.0
225.16005	0.3
377.81360	0.2
451.32864	3.1
452.33163	0.4
529.17535	0.2
562.22302	0.2
569.44562	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43720	0.2
61.98745	0.1
71.57697	0.2
71.58149	0.2
74.34994	0.1
74.81294	0.1
78.95777	3.6
79.95612	2.4
96.95893	100.0
96.96780	4.7
97.95813	0.3
152.99515	0.8
171.10213	0.2
199.05064	0.1
244.07344	0.2
258.52493	0.1
293.93845	0.2
583.51855	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00475	2.4
58.02854	24.8
59.01252	40.2
59.35690	1.6
60.61970	1.5
71.01254	33.4
72.99171	3.9
73.02827	1.9
76.68400	1.3
78.95773	5.8
85.02798	4.6
87.00747	2.6
89.02318	42.6
96.95905	2.6
101.02330	18.5
110.54959	1.5
113.02323	11.6
119.03394	14.7
143.03462	3.8
152.99535	3.5
168.13861	34.3
169.00569	1.5
179.05508	5.2
193.40251	1.3
242.09595	1.7
250.06288	1.5
265.08768	9.1
390.10187	1.7
429.21536	2.0
434.23358	100.0
435.23779	13.5
514.40686	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	614.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88406	1.0
59.01241	1.4
69.53188	7.9
71.69823	0.9
78.95780	30.8
85.74552	0.9
92.75149	0.9
96.96841	1.4
121.99963	1.1
125.09538	1.5
140.01106	5.5
152.99486	19.1
171.10164	4.6
195.13840	1.4
196.03683	9.4
206.61140	1.1
214.04805	1.3
255.23274	100.0
256.23636	7.6
268.05893	4.4
277.21716	7.0
278.22086	2.4
295.22787	13.8
296.23157	10.4
317.20981	8.2
318.21289	3.2
452.27823	64.7
453.28156	6.3
494.29037	5.8
495.29001	1.3
524.29749	3.3
614.33044	21.5
614.44348	4.8
615.33154	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	614.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55709	0.1
54.68367	0.2
59.01243	0.3
71.57088	0.2
71.57435	0.3
76.03543	0.2
78.95780	4.4
79.67290	0.2
79.95612	2.2
96.95895	100.0
96.96793	6.4
112.36649	0.2
113.84195	0.2
120.50334	0.2
152.99545	0.8
221.24170	0.2
231.29605	0.2
259.77554	0.2
277.21680	0.2
278.39124	0.2
324.25851	0.2
572.98242	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61016	0.9
58.02851	6.6
63.50725	0.9
66.03355	1.3
71.01236	1.2
71.57693	1.6
74.02355	12.8
76.91359	0.9
78.95781	6.6
79.95639	1.9
86.02344	6.1
86.98979	1.3
87.05523	3.2
90.00074	1.5
93.03329	1.0
96.95911	1.6
97.03940	2.1
99.05513	11.8
101.07057	1.9
102.05482	2.1
109.03980	1.5
109.07594	1.0
111.34427	1.1
121.02870	2.6
123.05532	1.4
125.03450	1.5
127.05009	2.2
128.03427	42.1
129.03828	1.4
134.03578	1.0
135.05548	2.6
141.06618	4.0
143.04527	51.3
145.06065	2.0
146.04503	4.4
151.59758	1.0
152.99481	4.7
153.06606	3.3
153.23775	0.9
159.99403	1.7
160.00641	12.9
166.09726	2.5
167.04555	3.5
167.08104	1.9
177.03328	4.2
179.04543	8.1
181.06100	2.7
185.05585	1.7
197.05615	1.5
210.08786	9.7
217.18192	1.0
228.10005	1.0
239.25812	1.1
242.07887	1.2
251.29900	1.1
254.07787	16.3
267.10315	1.3
268.10797	1.2
272.08862	28.3
273.08893	1.7
288.06516	8.4
306.07642	100.0
307.07941	6.6
406.02539	1.1
579.09637	1.0
614.27716	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	614.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02850	5.6
59.01240	1.8
66.03339	1.1
68.04949	0.7
68.25970	0.7
69.39835	3.2
69.40257	3.3
70.02853	1.2
71.01263	1.0
74.02350	11.7
78.95784	5.2
81.04458	0.7
82.02876	1.5
86.02342	5.5
86.05977	0.8
86.98955	0.8
87.05513	3.2
88.98687	0.7
90.00079	1.5
96.04493	0.7
96.95900	0.8
96.96857	1.3
97.03931	1.6
99.05520	11.4
101.07110	1.7
102.05482	1.7
106.42384	0.6
109.03935	1.4
112.03929	1.4
116.01600	1.1
121.02848	1.8
121.81076	0.7
123.05538	1.3
125.03449	2.2
127.05029	2.2
128.03427	35.2
135.04471	0.6
135.05548	3.7
137.07076	1.0
141.06596	2.9
143.04527	45.0
144.04831	0.8
145.06073	2.0
145.37587	0.7
146.04515	4.6
152.99507	3.0
153.06572	3.4
155.08102	0.9
160.00648	12.8
166.09761	2.1
167.04570	2.1
167.08127	1.9
167.94128	0.8
171.07669	0.7
177.03412	4.1
179.04552	9.4
180.04916	0.7
181.06190	1.4
184.27144	0.7
185.05614	1.7
197.05620	1.4
210.08772	9.9
211.13281	1.1
231.04289	0.8
254.07829	13.6
272.08890	21.8
273.09277	0.9
288.06583	7.1
306.07669	100.0
307.07870	4.9
614.27661	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	614.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27242	0.5
58.02740	1.0
59.01088	2.4
59.01433	1.7
63.89575	0.6
70.98033	1.5
71.01105	0.5
71.01420	1.2
73.02648	0.7
73.02969	0.8
74.02108	1.1
74.02533	1.1
80.04656	1.6
80.05154	1.8
85.02492	2.2
85.03066	3.5
86.02087	0.8
86.02527	1.0
87.00948	0.8
93.02939	16.0
94.03855	1.2
94.06171	1.1
94.06728	1.5
96.96132	1.4
99.05146	1.2
99.05753	1.4
101.02521	0.8
102.05711	1.3
104.04568	0.7
104.05193	1.4
106.06794	2.0
107.03943	3.0
108.08316	0.8
109.06694	0.8
111.00971	0.7
113.02539	0.7
116.32581	0.6
120.03925	0.8
120.04638	1.1
120.07416	1.3
120.08379	4.2
121.36301	0.6
122.05326	5.7
122.06316	22.9
123.06575	0.9
124.07851	0.7
128.02721	1.3
128.03746	6.4
129.02052	0.8
130.06799	0.6
132.03709	1.1
132.04770	5.4
134.06340	3.9
136.07794	1.0
139.02898	1.2
143.03654	1.7
143.04860	7.4
146.04727	0.8
147.03212	0.7
148.04276	1.8
150.05753	0.9
152.05333	2.3
152.06055	7.5
152.07416	49.2
153.07768	2.2
158.02637	0.7
160.01009	2.2
160.04297	3.3
161.03822	0.7
161.05103	2.0
162.05746	1.0
164.07387	0.6
167.04810	0.8
171.10538	4.9
174.05881	5.0
176.03716	0.8
177.03624	0.7
179.04779	1.2
186.05782	0.9
190.05408	2.5
191.02266	2.1
193.18559	0.7
196.08000	0.7
207.10632	2.7
209.12158	0.8
210.09201	2.1
211.12534	0.8
212.11156	6.7
222.99573	0.6
223.09023	1.4
223.12732	1.0
224.09647	1.0
225.11655	3.3
226.10818	0.8
227.12161	0.8
233.11258	1.1
235.08981	1.0
235.12724	3.2
237.10336	2.8
240.10480	0.7
245.13304	2.7
249.07112	1.0
250.07777	1.4
251.08235	3.9
251.12219	1.4
253.09656	1.1
254.08160	2.5
263.08685	2.5
264.09067	4.2
265.10141	2.5
266.12424	0.8
267.08804	0.9
267.11383	4.5
272.08939	4.6
277.10031	0.9
279.08487	1.4
279.11392	23.1
280.09052	0.8
280.12094	2.2
281.13156	1.0
288.07013	1.9
289.13681	0.6
291.11475	3.4
295.10764	4.2
301.10040	0.9
303.11615	0.8
306.07651	20.5
307.08154	1.1
313.12915	1.9
315.11856	0.7
316.12262	5.0
316.15167	0.5
317.13290	1.7
323.10724	2.7
325.11899	4.9
326.12851	1.5
329.16855	1.7
330.13699	5.1
331.14484	20.5
332.15155	1.9
339.09940	1.2
341.11993	0.6
344.15198	0.8
357.12311	3.7
359.54269	0.6
363.13663	0.9
370.13214	1.3
371.14044	1.3
372.14725	0.8
373.15533	13.4
374.15958	2.0
385.15598	5.9
399.13696	2.2
417.14865	1.9
429.14752	1.5
444.19635	1.2
471.26044	2.1
476.18353	1.0
482.20871	1.2
494.24194	1.1
496.22290	3.0
497.22806	0.7
510.23792	1.4
538.23474	47.7
539.23901	6.8
540.21729	0.7
541.22156	1.4
554.23151	2.4
564.21234	1.6
582.22424	100.0
583.22784	15.1
585.25293	0.6
614.24963	30.0
615.24524	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	613.4446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.6
58.80098	0.4
59.01247	1.5
71.01266	0.5
71.13515	0.7
78.95779	5.9
80.27794	0.4
81.77324	0.4
88.79799	0.4
89.16797	0.4
94.72317	0.4
95.04906	6.8
96.96823	0.5
97.06522	0.6
113.09604	2.6
140.01089	1.0
152.99493	4.8
177.12727	0.6
179.14360	1.0
195.13832	17.0
196.03758	2.6
196.14227	0.5
200.34517	0.4
217.12054	0.9
246.12268	1.0
247.09322	0.5
249.11076	0.9
249.22351	1.0
251.23817	0.7
255.23264	23.5
268.05994	0.9
277.21719	16.0
278.11349	6.5
278.21979	1.5
279.12119	0.7
281.13684	0.6
295.22772	100.0
296.23059	7.4
299.19830	0.8
315.19415	1.2
317.20959	44.9
318.21259	3.3
361.19928	5.7
362.20145	0.6
437.59436	0.5
452.27856	12.5
494.28867	2.9
613.44281	17.2
614.33142	5.3
614.44489	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	613.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87313	0.7
52.63010	0.7
57.03313	1.1
59.01252	61.2
61.98695	2.4
71.01240	1.6
78.95786	6.3
81.03294	1.0
85.02814	1.0
96.95901	0.9
96.96851	1.1
97.06486	0.9
97.97741	0.6
103.69632	0.8
107.04871	0.9
109.06454	2.4
113.02326	0.9
116.91725	0.7
121.02818	2.4
128.03427	1.5
135.04419	1.7
143.04506	3.0
152.99548	4.0
165.12721	2.1
168.95439	1.0
179.04532	0.7
209.11774	100.0
210.12119	4.8
254.07599	0.9
272.08893	1.2
283.06107	1.0
306.07703	4.0
329.23267	2.3
344.47342	0.8
417.48694	0.9
461.41373	0.8
481.63211	1.0
565.22015	0.8
613.26276	1.7
613.39648	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67646	0.8
55.01758	1.1
57.03321	2.1
58.00455	2.9
59.01250	71.2
59.46023	0.7
60.01579	1.5
70.34254	3.0
71.01250	52.3
72.01576	0.8
72.99177	6.1
73.02815	5.6
74.30019	0.8
75.00746	6.6
83.01262	4.0
85.02818	16.6
87.00751	2.0
89.02316	49.4
95.01261	3.8
96.95888	1.7
101.02321	32.3
111.00789	1.6
113.02328	18.6
113.03522	0.9
119.03387	18.1
125.02303	1.2
131.03348	1.4
143.03397	3.3
149.04382	1.7
161.04456	3.5
163.04015	1.0
173.01004	0.9
177.05539	0.8
179.05556	8.6
191.01854	3.3
209.02869	1.5
225.11281	5.1
241.04990	0.8
252.13298	0.9
289.20239	3.4
306.21692	0.9
433.19595	2.2
433.24799	4.0
451.25580	16.0
452.25778	1.7
613.30768	100.0
614.31165	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	613.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.2
57.03323	13.2
58.00436	0.3
58.43076	0.3
59.01249	5.3
59.73612	0.3
60.13233	0.3
63.47174	0.3
67.01768	0.4
67.15434	0.3
68.99677	0.7
70.09899	0.3
70.53518	1.2
71.01247	3.0
72.99181	1.7
73.02818	0.3
75.00745	2.5
83.01244	2.4
84.02047	2.5
85.02821	100.0
86.03121	1.5
87.00760	1.0
96.95880	0.4
101.02316	0.8
103.00246	1.5
111.00755	4.6
115.00246	0.8
129.01825	9.8
133.02847	0.5
133.04961	5.0
134.03622	1.5
135.04393	0.3
145.01352	0.4
147.02888	18.2
148.03186	0.4
163.02390	0.5
173.00835	2.9
178.02609	0.5
184.05252	0.3
191.01898	51.5
192.02252	1.8
193.50288	0.4
209.03003	1.0
210.97623	0.3
211.13312	1.5
224.00627	0.4
327.15738	0.4
334.03839	0.3
345.17154	1.3
391.16910	0.4
405.14066	0.3
408.07642	0.7
533.51904	0.4
538.80121	0.3
581.19086	0.7
595.20422	0.4
613.21588	2.1
616.92358	0.4
618.51660	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2966
Annotation	Phoslactomycin C
Peak:m/z	Relative Intensity
51.88932	0.6
54.77197	0.7
57.03326	1.1
59.01257	4.1
61.98702	0.8
71.01244	3.0
71.57559	0.7
71.58035	1.4
77.20348	0.8
78.95777	12.2
85.02798	1.9
87.00758	0.9
89.02297	1.0
93.03333	58.2
94.03670	1.7
96.96851	1.4
101.02341	1.7
109.06422	1.0
113.02282	1.7
142.08484	0.9
152.99483	11.4
153.99840	1.8
164.14357	2.8
171.10201	3.0
173.32663	0.7
174.12758	0.8
176.14345	1.5
185.11708	0.9
188.14424	0.8
190.12314	3.7
195.13792	1.8
196.07651	0.8
196.14124	2.0
197.08383	1.4
199.09714	1.2
199.61336	0.7
208.13370	14.8
209.11865	1.4
209.13835	0.9
220.13350	12.8
221.13860	1.1
223.00171	0.9
223.13371	1.3
227.12888	1.8
232.13333	1.3
241.01135	3.4
253.09451	1.1
278.22018	2.4
295.22668	4.8
296.16565	1.6
296.23105	7.9
308.16461	4.6
314.17596	10.9
315.04852	1.1
315.17813	1.5
316.05084	1.1
320.16562	1.7
326.17587	7.5
329.06552	1.1
350.21191	0.8
361.23148	0.8
362.21338	1.1
402.20773	0.9
414.20587	3.0
420.21811	3.1
444.25290	1.0
470.23337	2.0
488.24432	1.9
508.24609	1.8
526.25977	1.6
550.29510	1.1
594.29059	4.5
612.29492	100.0
613.29663	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02849	6.5
59.01247	0.9
59.76147	0.7
61.98700	10.0
69.26970	9.6
70.02876	0.9
72.00789	1.6
74.02341	14.7
78.95779	4.9
82.02862	1.3
82.95998	0.9
86.02361	3.7
86.05988	0.9
87.05527	3.0
90.00070	1.9
97.03947	1.4
99.05523	10.9
102.05471	1.7
109.03941	1.3
112.03922	1.4
116.01673	1.1
121.02876	2.5
122.03187	1.1
123.05540	1.2
125.03458	1.4
127.05038	1.8
128.03433	34.3
129.49461	0.9
131.04878	1.1
135.04454	2.2
135.05569	3.0
141.06601	2.0
143.04530	40.5
145.06059	1.3
146.04471	3.5
152.99490	2.6
153.06645	2.8
155.08096	1.2
160.00647	10.5
160.44243	0.8
166.09758	1.5
167.04539	3.0
167.08182	1.7
177.03311	3.9
179.04568	9.2
181.06085	1.0
185.05492	1.8
197.05672	1.0
210.08772	6.7
254.07790	11.2
270.08270	1.0
272.08881	21.5
273.09048	1.0
288.06580	7.9
306.07660	100.0
307.07983	6.0
336.89966	0.9
446.17184	0.9
564.21558	0.9
612.24976	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	612.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02852	6.2
58.50241	0.5
59.01246	1.3
61.98708	1.3
67.53396	0.5
70.02847	0.7
71.01246	1.0
71.57816	1.0
72.00764	1.4
72.08622	0.6
74.02347	12.6
75.00749	1.3
78.95775	3.2
81.04452	0.6
82.02859	1.4
86.02342	4.9
86.05991	0.6
86.98971	1.7
87.05539	3.2
90.00074	1.2
97.03943	1.4
98.91867	0.5
99.05525	11.9
101.07083	1.7
102.05484	1.8
107.04884	0.6
107.06039	0.9
109.03960	1.5
109.07600	0.8
112.03937	2.2
113.03432	0.5
114.31937	0.5
116.01659	0.5
121.02831	2.1
123.05530	0.9
125.03441	0.9
127.05021	2.1
128.03439	32.2
131.98973	0.6
135.04416	2.5
135.05556	3.1
136.04837	0.6
141.06593	3.1
143.04536	42.8
144.04895	0.9
145.06079	1.7
146.04485	2.6
152.99519	1.9
153.06639	3.1
160.00650	12.2
160.14197	0.5
165.05418	1.2
166.09782	1.8
167.04550	2.6
167.08165	1.6
177.03325	3.9
179.03163	1.0
179.04572	8.6
181.06129	0.9
185.05579	1.0
192.07628	0.9
197.05626	1.1
198.08679	0.8
210.08775	7.2
242.07854	1.0
253.08745	0.7
254.07779	11.9
272.08914	21.8
273.09238	1.1
288.06601	8.3
306.07663	100.0
307.07953	5.1
409.16229	0.7
445.16599	0.7
446.16724	1.5
468.56247	0.6
582.23077	0.9
594.22107	0.7
612.25836	1.7
614.53638	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70116	0.4
55.01739	0.7
57.03318	0.6
57.75020	0.4
58.00452	0.5
59.01254	16.9
59.86715	0.5
61.98722	0.6
64.85298	0.5
69.03328	0.8
69.38385	0.4
69.42434	3.5
71.01254	14.2
72.99159	1.1
73.02831	2.7
78.95799	1.2
81.03310	0.6
83.01259	2.0
85.02814	3.2
87.00743	2.5
89.02321	11.5
91.03893	0.5
93.03326	1.1
95.01281	1.0
97.02835	1.9
99.00774	0.5
99.55777	0.4
101.01691	1.0
101.02328	12.7
107.04929	0.7
113.02327	6.3
119.03394	3.4
119.04872	1.3
121.02836	2.1
123.04469	0.5
125.02349	3.8
130.04099	1.0
131.03323	0.5
131.04958	2.2
133.04922	0.6
134.03674	1.3
135.04417	4.7
143.03380	1.5
147.04489	0.5
149.04440	0.6
152.99457	0.9
161.04462	4.2
165.05461	0.6
179.05498	2.6
183.13837	15.5
184.14162	0.6
190.92647	0.4
195.13844	12.7
196.14137	0.6
207.08003	0.6
213.14906	100.0
214.15233	5.7
219.08112	0.5
221.06599	0.8
235.08257	3.2
245.06560	0.6
247.07635	1.1
253.09238	3.9
259.07419	0.8
265.08530	0.8
277.08990	0.5
279.10501	0.5
287.07697	1.3
305.08810	0.8
337.12320	0.9
353.11896	0.5
365.11819	2.0
367.13306	0.9
374.91486	0.5
377.11911	1.8
379.13284	0.8
383.12701	2.3
395.12808	3.9
396.13495	0.8
397.13538	25.0
398.13950	1.4
401.13901	1.7
409.14273	0.8
413.13998	9.3
414.14420	1.5
415.14627	19.6
416.14908	1.6
425.13763	1.2
427.15601	1.7
443.14948	3.4
527.19226	0.7
545.19659	3.1
546.19940	1.0
581.21710	1.9
593.21661	4.8
593.29340	0.6
594.22247	1.3
611.22821	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	611.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02633	1.0
61.50558	1.1
64.39426	1.1
70.93582	2.5
70.93934	1.3
71.62292	1.2
74.90251	1.0
75.00732	2.4
78.95779	84.7
96.95915	2.1
96.96853	14.4
113.09620	1.5
138.93517	1.1
150.97949	1.9
152.99493	96.4
153.99791	1.8
156.24828	1.2
171.00488	2.2
171.10164	2.3
195.13846	13.0
223.00049	3.5
241.01164	29.4
277.21771	13.9
295.22763	45.9
296.23135	3.7
315.04916	7.6
431.21960	6.1
449.23068	17.1
450.23544	3.2
582.62347	1.3
611.28351	100.0
612.28888	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	611.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05835	1.5
70.33539	2.6
70.33918	2.3
75.00745	5.6
77.87896	1.2
78.95779	76.1
94.51929	1.6
95.08088	1.2
96.95893	2.9
96.96853	12.6
113.09608	2.5
150.97833	1.6
152.99496	92.0
153.99884	1.5
170.24400	1.4
171.00529	3.3
185.73817	1.5
195.13820	17.1
223.00075	4.8
241.01180	24.2
244.31195	1.7
259.02194	1.7
259.20386	1.3
277.21747	19.5
295.22791	51.6
296.23114	5.3
315.04868	9.7
333.05820	1.5
431.22037	2.1
449.23083	7.0
611.28339	100.0
612.28528	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	611.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19683	0.9
53.84094	0.9
55.01748	0.9
56.92137	0.9
57.03301	2.0
58.00448	3.6
59.01248	62.9
65.00194	1.3
71.01251	40.5
71.56964	1.1
71.57485	1.1
72.99188	6.6
73.02800	1.6
74.74179	1.0
75.00734	1.1
77.70321	0.8
81.03284	1.2
83.01240	2.7
85.02822	12.0
87.00747	1.2
87.98284	0.9
89.02311	32.3
92.53505	0.9
95.01246	3.0
96.95866	5.3
99.04396	26.4
99.56133	0.9
101.02315	18.3
107.01252	1.2
111.04399	1.5
113.02320	12.6
119.03399	12.3
121.06440	1.0
135.04401	6.4
149.04443	1.1
151.00298	7.4
161.04485	1.2
177.05637	1.1
179.05513	3.4
189.12746	6.1
207.13832	43.7
208.14174	2.1
209.02904	2.1
225.11278	5.4
251.12849	80.9
252.13165	5.5
269.13998	1.4
287.05560	7.0
387.20197	1.5
431.19189	100.0
432.19632	9.3
449.20322	1.7
611.25500	73.8
612.25745	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	15.5
61.98703	53.4
66.40852	3.0
66.86797	2.7
71.01238	9.7
71.28793	4.5
71.29135	4.7
75.00754	22.0
78.95771	15.9
80.96368	8.3
85.02829	4.7
93.03345	23.9
96.95837	2.8
101.02364	3.3
107.04916	2.6
119.04900	11.8
121.02853	85.8
122.03107	3.2
128.03392	5.1
130.04144	6.7
131.04939	17.9
131.14825	2.7
134.03563	4.4
135.04379	8.1
140.81100	2.6
141.10954	3.1
143.04860	6.1
145.06471	7.7
147.04408	19.7
147.06598	3.4
149.05971	4.6
152.99446	10.1
160.05151	6.5
161.06004	4.6
165.05498	4.4
171.10101	3.6
175.48068	3.0
196.94691	2.7
197.94917	2.9
225.00607	3.9
225.05360	2.7
235.07533	4.6
237.09200	5.2
247.07561	3.7
265.08615	4.4
267.10379	3.5
349.12073	3.1
357.11243	7.8
359.12567	5.6
365.11328	4.5
367.13232	4.9
369.10989	4.4
371.12827	6.0
373.11917	3.3
379.13455	7.0
381.15015	7.3
383.12347	4.0
396.13452	5.7
397.14166	9.5
398.14728	3.4
399.11960	5.5
401.13748	4.4
403.15375	3.9
409.14166	4.6
415.15436	5.4
417.13324	6.8
427.15314	5.5
431.14844	4.1
431.26514	16.3
441.16830	5.3
443.14792	5.6
455.16992	4.0
467.16519	8.3
473.17719	24.8
485.17633	31.5
486.18030	6.2
497.17178	5.2
503.18414	26.8
515.18555	12.7
521.19476	4.2
533.19641	46.7
534.19653	9.1
534.27399	3.4
536.28442	6.7
537.29083	10.3
545.19403	8.4
549.19067	4.7
551.20947	17.8
563.20752	40.7
564.20825	8.5
579.20038	4.1
581.21844	72.5
582.21936	9.2
593.21667	39.1
594.21893	8.5
611.22821	100.0
611.32703	9.5
612.23340	21.5
612.32495	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	611.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09937	1.4
59.01249	2.5
59.86747	1.6
61.98711	14.4
64.78717	1.2
69.03317	1.9
71.01247	2.4
76.88931	1.3
78.95782	4.9
80.96409	3.6
93.03333	6.9
107.04971	1.7
119.04913	4.0
121.02852	88.3
122.03177	3.0
128.03436	4.5
130.04132	5.1
130.12059	1.4
131.04932	11.9
135.04451	2.2
143.04892	2.1
145.06491	3.0
147.04424	5.9
149.05969	7.3
160.05156	2.2
171.10178	1.3
188.63551	1.6
211.07599	2.1
213.14864	1.4
220.29347	1.3
225.05537	1.7
226.06294	1.5
227.07039	1.8
229.72510	2.0
235.07495	2.2
237.05505	3.0
237.09183	2.2
239.07143	4.0
240.07893	3.0
247.07675	1.9
252.07870	2.1
253.08746	3.8
255.06575	9.1
261.09497	1.5
272.06686	2.7
277.08740	2.1
283.09885	1.6
306.07654	3.1
309.11221	2.5
325.12448	5.4
341.12073	1.5
342.12634	4.8
343.13437	2.1
353.11716	4.2
354.12415	2.3
355.13535	1.4
367.13641	2.7
370.12064	5.2
371.12881	30.0
372.13300	2.4
383.12866	2.5
385.14310	1.8
387.12332	3.9
389.14224	2.0
401.14185	3.6
413.13861	2.6
415.15445	2.6
425.13599	4.0
427.15454	2.5
430.14297	2.3
431.15009	100.0
432.15366	12.9
441.17606	1.8
443.14828	6.6
444.15631	1.7
461.16049	21.8
462.16763	2.8
485.17755	2.4
497.17648	1.9
502.18298	1.9
503.18616	11.4
533.19775	4.2
537.29559	2.0
551.20660	2.3
563.20758	91.7
564.20966	16.9
575.20721	4.0
581.21783	10.8
582.22260	2.2
593.21814	23.8
594.22089	5.4
611.22723	34.5
612.23273	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	611.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
63.42684	1.4
69.98766	1.6
71.29332	4.2
76.23444	1.3
78.26487	1.4
78.95788	4.3
89.78213	1.5
90.92362	1.6
93.03354	11.6
107.04971	1.9
119.04909	6.4
121.01976	2.9
121.02853	59.6
130.04120	4.5
131.04935	12.7
135.04425	5.5
143.04912	6.1
145.06532	2.1
147.04427	3.0
147.60786	1.6
149.06010	4.4
152.99461	3.4
160.05269	2.4
161.05928	2.5
163.04010	1.6
165.05533	2.0
175.01160	1.4
207.08080	1.9
211.07706	1.9
219.08194	2.2
223.07558	1.9
227.07091	1.6
235.07735	2.2
237.09102	3.3
247.07625	5.6
248.08221	1.7
249.09177	2.1
265.08643	4.0
283.09671	4.7
323.10696	1.6
329.11588	2.2
337.12427	3.2
341.11838	2.7
342.12555	1.8
349.12259	3.2
353.11835	4.8
354.12683	3.0
355.13318	5.2
357.11404	1.8
361.12347	2.6
363.13757	2.9
364.11209	1.7
365.11749	9.6
366.12451	3.9
367.13248	4.3
371.12921	13.8
372.13165	2.3
375.13846	2.0
377.11978	3.5
379.13495	5.0
381.15057	5.3
383.12900	32.1
384.13220	4.8
385.14230	3.1
393.15222	3.2
395.12708	8.9
396.13507	2.9
397.14474	7.6
398.15167	1.7
399.16321	2.5
401.14026	12.1
409.14529	2.5
411.15991	6.3
413.13928	26.6
414.14542	2.3
415.15494	2.5
427.15585	4.5
429.16873	3.1
431.15204	7.2
441.17044	5.4
443.15097	9.2
445.16290	1.8
459.18323	5.1
463.17615	2.7
467.16641	5.4
473.17526	16.8
474.17886	2.5
485.17755	24.8
486.17734	3.7
497.17325	3.2
503.18488	13.6
504.18689	2.9
515.18530	16.0
516.19031	3.0
527.18323	2.0
533.19647	32.0
534.20117	6.7
545.19629	17.7
546.19946	4.0
551.20764	14.3
563.20728	22.7
575.21204	3.5
581.21814	100.0
582.22192	17.7
593.21759	37.1
594.22302	7.2
611.22852	84.0
612.23291	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	18.1
61.98698	2.5
70.15094	5.9
71.01250	17.3
73.02795	3.4
74.53286	1.6
74.79089	1.4
77.25002	1.3
78.95794	4.5
79.91781	1.4
81.03345	1.7
83.01267	3.4
85.02831	3.3
87.00762	2.4
89.02323	12.7
93.03330	5.6
95.01257	1.6
97.02831	2.3
101.02328	16.3
107.04911	2.2
113.02301	6.9
119.03442	3.7
119.04916	3.2
121.02844	11.6
125.02351	5.1
128.68922	1.3
130.04163	1.6
131.04900	4.6
131.61108	1.4
135.04448	8.6
143.03452	2.0
145.06474	1.7
147.04359	3.2
149.06029	3.3
152.99501	5.4
161.04462	5.1
165.05479	2.1
173.05833	1.6
174.04266	1.5
183.13850	3.0
195.13826	11.0
211.13330	2.4
213.14914	100.0
214.15282	4.0
214.34157	1.4
235.08112	5.9
237.09174	3.3
249.09218	3.8
253.08737	11.5
265.08676	6.4
267.10226	5.9
279.10312	3.8
283.09866	9.5
298.71259	1.6
329.12204	2.2
355.13443	4.0
367.13449	7.8
397.13528	39.0
397.18637	2.7
398.13779	1.7
415.14606	24.3
416.14688	2.0
423.15875	1.8
427.15527	4.5
433.16818	2.4
445.16592	8.4
463.17377	7.5
473.17596	2.3
485.17435	4.0
515.18561	5.9
533.19397	2.2
545.19403	1.7
551.20728	4.1
563.20691	9.6
575.20697	3.7
581.21863	16.1
582.22369	3.9
593.21844	17.4
594.22247	3.3
611.23163	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	611.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03941	2.8
50.71541	3.1
58.50676	2.9
59.01253	5.5
61.98709	22.4
69.03318	3.4
70.79910	6.4
70.80245	6.9
71.01252	5.4
78.95782	16.1
79.95597	3.6
80.96398	10.1
82.95989	4.2
85.02845	3.3
88.75024	3.3
89.02319	3.5
93.03338	20.9
101.02312	3.3
115.05539	3.5
119.04919	9.3
121.02849	68.0
126.99493	3.7
128.03381	4.3
128.93420	3.6
130.04126	6.3
131.04893	10.3
134.03633	5.7
135.04456	21.5
143.04823	10.6
145.06441	4.3
147.04428	7.3
152.99484	8.8
160.05188	4.7
165.05518	3.9
179.04480	3.5
223.07651	3.6
235.07733	4.4
236.77885	3.4
237.05643	3.6
237.09117	10.9
249.09091	6.4
251.07080	7.6
253.08667	3.7
255.06474	4.9
259.07761	3.9
277.08762	3.1
283.09778	3.6
306.07635	4.1
325.12311	3.8
329.11823	4.1
342.12595	3.7
349.12271	4.2
355.13385	5.6
361.91696	3.9
367.13211	12.1
371.12704	15.8
379.13242	4.3
383.12772	6.9
385.13843	4.4
393.15176	4.2
397.14157	9.1
401.13651	3.5
411.16574	4.2
415.15417	7.8
423.15768	4.5
427.15561	40.4
428.15897	4.2
431.15076	46.3
432.15176	8.7
443.15060	5.1
445.16727	33.6
461.15967	13.1
463.17563	4.6
467.16696	10.7
473.17657	23.5
479.16589	5.9
485.17670	50.9
486.17899	9.6
487.17795	4.3
497.17453	14.6
498.17401	4.0
503.18546	14.6
515.18823	35.3
516.19055	7.4
527.18945	4.0
533.19366	13.9
537.29858	3.6
545.19800	15.9
551.20715	17.5
563.20776	64.3
564.21271	10.7
575.20844	26.4
576.21008	3.8
581.12402	5.7
581.21808	100.0
582.22113	17.8
593.21710	68.0
594.21936	15.4
611.25385	30.7
612.25977	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	611.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02854	5.4
62.77823	2.6
71.56346	4.4
74.02345	14.1
86.02363	9.4
87.05536	3.7
97.03981	3.0
99.05508	12.5
123.05525	2.9
128.03432	38.5
135.05641	3.0
143.04543	53.8
143.05673	2.6
146.04575	3.1
150.25830	2.4
153.06700	3.2
160.00644	15.6
166.09813	3.9
167.04578	2.6
179.04543	13.2
210.08833	9.1
211.40863	2.6
215.72906	2.5
250.47896	3.0
254.07826	9.9
272.08868	32.3
273.09079	3.0
280.24634	2.7
288.06546	8.8
304.06091	9.4
306.07648	100.0
307.07999	4.7
338.04831	6.4
493.44339	2.9
611.14374	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	611.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22000	9.5
71.55942	10.4
74.02353	25.4
86.02346	12.5
97.03925	10.9
99.05502	16.9
105.01850	11.3
109.82557	9.0
125.52600	8.9
128.03447	72.8
135.05663	12.3
143.04518	84.3
160.00621	13.7
179.04590	10.8
193.40762	9.5
210.08791	23.4
247.53081	9.9
254.07658	11.0
272.08868	39.1
304.06107	13.3
306.07700	100.0
306.48315	10.2
338.04865	15.6
343.08099	10.7
434.19254	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	611.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.5
59.01242	1.6
63.32424	0.5
65.00208	1.0
68.89936	0.5
69.61297	3.5
71.01260	1.4
72.99200	0.7
73.02849	0.6
75.27768	0.4
80.96378	0.5
81.69623	0.5
83.01247	0.6
85.02820	5.4
92.31104	0.4
93.03349	3.9
96.95856	0.7
101.02328	0.7
107.01279	0.6
108.02058	0.7
109.02830	2.7
111.00781	1.9
119.04906	0.6
121.02831	1.5
122.06033	0.6
129.01845	0.8
137.02338	0.6
139.00261	0.6
142.92075	0.5
147.02910	1.0
147.04378	1.1
148.01527	1.1
149.02298	0.8
151.00241	1.2
152.07048	0.6
163.00304	3.1
164.98291	0.5
165.01834	1.7
169.06516	1.1
171.04457	4.7
173.00835	0.6
174.03128	0.7
175.00259	0.5
175.03970	0.9
176.01012	0.6
181.01286	0.7
181.75835	0.5
183.04390	0.8
185.06053	0.9
187.03958	0.6
189.05556	0.9
191.01849	2.4
193.01312	0.6
195.02899	1.0
197.05925	0.6
198.03142	0.5
199.03889	1.0
200.04700	0.6
201.05374	0.9
207.98453	0.5
209.02936	0.9
211.03877	1.2
212.04893	0.6
212.98781	0.5
213.05428	2.4
214.02579	0.6
226.02699	0.6
227.03473	3.9
228.04257	2.9
229.04892	2.5
239.03419	1.6
240.04236	0.9
241.05040	2.2
242.02116	2.0
243.02963	1.4
255.02908	5.9
256.03754	2.5
257.04501	9.1
267.03003	5.5
268.03583	1.4
269.04504	2.4
270.01660	1.7
271.02435	2.2
273.03922	0.7
275.05624	0.7
275.56714	0.5
283.02472	7.2
284.03186	2.8
285.04044	4.2
287.14108	1.2
297.04480	0.5
301.03625	0.8
305.08286	0.6
306.07721	0.8
312.02750	1.5
313.03543	6.1
314.04150	0.7
317.02783	0.6
331.06104	1.8
332.06903	3.0
333.07593	1.8
345.02377	0.8
349.07175	14.1
350.07562	1.4
360.06372	3.8
361.07129	10.2
362.07315	0.6
373.65018	0.5
377.06650	47.8
378.07190	8.5
379.07776	0.6
384.74030	0.5
389.06265	1.0
405.06140	1.2
406.06906	83.4
407.07568	28.3
408.07959	2.2
517.09631	2.8
551.12170	4.7
552.12128	0.6
610.26306	1.2
611.14032	100.0
612.14337	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	611.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
61.14756	0.2
63.02261	0.7
65.00198	0.5
71.13815	0.4
76.42068	0.2
85.02848	0.2
93.03336	3.2
93.24442	0.2
95.01276	0.2
107.01279	0.5
108.02068	0.4
109.02829	2.1
119.01265	0.7
119.04911	0.2
120.02079	0.3
121.02838	1.9
123.00858	0.2
133.02864	0.3
135.00754	1.5
136.01534	0.5
137.02328	3.0
139.03926	1.5
143.04912	0.5
146.43253	0.2
147.00771	0.7
147.04408	0.7
148.01543	2.9
149.02332	4.6
151.00285	0.7
155.04907	0.3
157.06406	0.2
159.04402	0.8
161.02321	1.0
163.00272	20.1
164.00751	0.7
165.01826	1.0
167.04967	0.4
169.06499	1.0
171.04437	2.5
172.05128	0.3
173.05988	0.6
174.03166	0.4
175.00302	3.2
175.03941	0.2
176.01070	12.7
177.01814	1.6
178.99767	0.3
182.03578	0.2
183.04468	1.7
183.41313	0.2
184.05188	0.8
185.05946	1.2
186.03146	0.2
187.03928	1.7
189.01848	0.6
189.05450	0.7
190.99763	1.3
195.04445	1.9
196.05206	1.5
197.02327	0.3
197.05989	1.9
198.03186	1.1
199.03864	1.3
200.04718	1.0
201.05519	0.4
202.99692	0.2
204.00549	2.0
205.01312	0.4
210.03116	0.5
211.03937	8.1
212.04616	2.3
213.02110	1.1
213.05498	6.4
214.02629	1.7
214.05859	0.3
215.03435	7.8
216.04002	0.4
217.04999	1.9
223.03983	1.2
224.04736	0.6
225.01775	0.4
225.05466	0.4
226.02715	1.6
227.03438	3.6
228.04207	2.4
229.01360	0.2
229.04988	3.0
231.06470	0.5
238.02576	0.3
239.03444	6.0
240.04210	3.8
241.01476	0.9
241.05009	8.9
242.02144	3.3
242.05464	0.6
243.02943	3.2
251.03372	0.9
253.01093	0.2
254.02133	0.7
255.02968	7.4
256.03729	11.3
257.04510	13.5
258.04855	0.8
266.02106	1.4
267.02957	15.5
268.03629	3.1
269.01721	0.3
269.04456	1.9
270.01694	6.6
270.04660	0.3
271.02438	4.4
272.02817	0.3
281.01065	0.4
282.01630	0.3
283.02457	48.3
284.03122	11.2
285.04016	18.7
286.04364	1.5
295.02451	3.2
296.03101	0.5
297.04141	0.2
299.02127	0.3
300.02838	0.4
311.01962	16.2
312.02731	57.2
313.03494	93.4
314.03879	6.7
349.07144	0.7
353.08740	0.9
355.04752	0.7
361.07147	0.9
377.06662	1.2
378.06937	0.3
406.06891	39.9
407.07587	13.6
407.13239	0.3
408.07968	0.9
449.08887	0.2
475.08755	1.4
517.09827	100.0
518.10168	11.2
526.84637	0.2
569.12775	1.6
570.13580	0.4
611.13989	34.5
612.14337	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	611.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02261	1.4
65.00197	1.5
69.22382	0.3
69.34473	2.8
83.01268	0.3
92.81959	0.3
93.03326	4.8
99.85784	0.3
107.01282	0.6
108.02063	0.8
109.02827	3.5
112.56034	0.3
113.61771	0.3
119.04926	0.5
121.02844	1.2
125.02342	0.3
133.02835	0.6
135.00746	0.4
143.04930	0.7
145.02859	0.7
147.04388	1.8
148.01579	2.5
149.02304	0.7
151.00285	0.9
157.06427	0.4
161.02319	0.5
163.00259	3.8
169.06482	2.5
171.04414	7.8
174.03133	0.4
175.00294	0.5
175.04070	0.3
176.01100	0.7
177.01816	0.4
183.04385	0.9
185.05978	1.0
185.07539	0.3
187.03932	0.9
189.01921	0.3
189.05467	0.8
195.04402	0.6
196.05246	0.5
197.05922	0.8
198.03171	0.5
199.03999	1.0
200.04709	0.7
201.01953	0.5
201.05499	1.0
205.01500	0.3
211.03931	2.0
212.04686	0.9
213.05467	2.7
214.06146	0.5
215.03435	0.9
225.05550	0.6
226.02707	1.0
227.03441	3.5
228.04247	5.7
229.04953	3.6
230.05582	0.4
231.06476	0.4
239.03378	1.7
240.04225	1.1
241.05035	3.7
242.02127	2.0
243.02855	1.2
254.02155	0.5
255.02957	7.4
255.05484	0.6
256.03717	3.6
257.04520	10.4
258.04938	1.2
259.06174	0.4
267.02942	6.6
268.03546	1.1
269.04562	2.2
270.01709	2.0
270.05161	0.6
271.02393	2.3
283.02463	7.2
284.03101	2.0
285.04028	6.6
287.07068	0.4
303.06601	0.5
305.08087	0.9
312.02722	1.4
313.03522	6.9
313.06674	0.3
314.03854	0.6
317.08218	0.5
321.07742	0.9
322.08063	0.4
331.06171	0.8
332.06940	2.0
333.07626	2.4
334.08224	0.5
345.04282	0.3
349.07178	9.0
350.07568	0.9
359.05798	0.3
360.06287	2.2
361.07144	12.5
362.07608	1.0
377.06647	33.2
378.07135	5.6
381.49030	0.3
389.06534	0.7
404.08279	0.3
405.06186	1.1
406.06906	100.0
407.07629	64.4
408.08041	6.0
517.09851	2.1
569.12982	2.9
570.13037	0.4
571.72473	0.3
611.14008	97.1
612.14355	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	611.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69273	0.4
63.02261	0.7
68.99720	0.4
85.02827	1.2
90.43362	0.4
93.03328	4.3
95.21886	0.4
98.19802	0.7
106.85143	0.4
108.02055	0.7
109.02832	2.0
111.00777	0.4
120.02100	0.5
121.02852	1.2
123.52738	0.4
124.64646	0.4
132.02090	0.5
135.00780	2.0
136.01549	0.4
137.02367	2.4
139.03894	1.0
143.04880	0.4
147.00772	0.7
147.04387	0.5
148.01530	3.1
149.02350	2.9
151.00240	0.7
159.04407	0.9
161.02336	0.8
163.00276	13.5
164.00706	0.6
165.01845	0.8
167.05017	0.5
169.06458	0.9
171.04440	3.0
173.06038	0.7
175.00278	2.8
176.01065	11.3
177.01773	2.3
183.04456	1.6
184.05223	0.8
185.05978	1.7
187.03915	2.3
189.01851	0.4
189.05513	1.1
190.99806	0.9
191.01805	0.6
195.04462	2.4
196.05191	1.7
197.02303	0.4
197.06017	1.4
198.03200	1.2
199.03888	1.9
200.04683	1.4
201.01976	0.4
201.05508	0.5
203.03362	0.4
204.00557	1.5
211.03928	9.2
211.05824	0.7
212.04659	2.6
213.01907	1.2
213.05490	6.5
214.02669	1.7
214.05858	0.6
215.03436	8.2
216.03874	0.6
217.04955	1.8
223.03943	1.3
224.04688	0.8
225.05533	0.5
226.02705	1.7
227.03464	3.9
228.04196	3.6
229.05002	2.8
231.06618	0.6
239.03435	6.5
240.04236	4.4
241.01392	0.6
241.05028	8.6
242.02171	3.4
242.05345	0.6
243.02998	4.3
251.03558	0.9
254.02008	0.8
255.02962	8.4
256.03738	13.5
257.04501	12.6
258.04877	0.4
266.02167	1.5
267.02966	17.4
268.03607	3.0
269.04529	1.7
270.01685	7.3
271.02460	5.1
272.02856	0.4
282.01569	0.5
283.02463	55.2
284.03125	14.5
285.04007	19.0
286.04367	1.0
295.02393	3.4
296.02893	0.5
311.01978	17.6
312.02740	64.0
313.03497	77.3
314.03955	5.0
326.75491	0.4
349.07178	2.4
353.08746	0.7
355.04663	0.6
377.06610	3.2
378.07373	0.6
405.06122	0.6
406.06900	42.0
407.07440	8.9
457.07611	6.0
458.07837	0.5
517.09833	100.0
518.10187	12.7
551.11621	2.9
552.12512	0.5
580.20966	0.6
611.13989	41.0
612.14417	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	610.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26874	0.6
52.20591	0.7
54.84096	0.7
55.78452	0.7
57.23441	0.7
59.01253	22.3
61.98682	1.2
66.98179	0.7
69.92393	4.0
71.01265	0.8
78.95779	48.4
80.96411	3.8
94.97934	1.2
96.95876	1.8
96.96838	3.6
98.19736	0.8
99.08018	1.0
113.09622	1.8
121.02828	1.7
121.10168	0.7
122.03094	0.8
122.98437	1.1
129.09090	2.6
139.11130	1.0
147.04486	0.8
152.98315	1.7
152.99495	25.2
153.99805	1.0
163.11172	0.7
167.10646	0.7
168.04227	4.8
169.12260	1.7
171.10187	5.0
181.12253	1.8
183.13853	1.4
193.12294	2.6
195.13736	0.9
197.11794	5.1
199.13365	1.5
209.11699	0.8
211.13344	11.2
211.15208	1.3
214.29932	0.8
223.00122	0.8
223.04425	0.7
224.06862	9.3
225.00591	1.3
241.01112	4.5
242.01506	1.0
242.07944	2.3
249.22206	1.1
275.20181	2.0
276.20621	1.7
293.21207	14.0
294.21552	7.9
311.22281	35.0
311.25888	1.7
312.22684	2.9
315.04788	1.5
331.23804	0.7
461.14963	0.8
465.22626	2.1
536.29938	100.0
537.30127	9.8
610.27173	21.9
611.27435	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	610.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40303	1.0
59.01255	27.4
63.36452	1.0
69.47194	8.6
71.01248	4.4
78.95778	48.2
80.96413	4.9
85.02840	2.5
89.02341	1.1
94.97941	1.4
96.95872	1.3
96.96841	3.8
99.08040	2.2
101.02296	1.7
111.08044	1.0
113.02296	2.4
113.09622	2.6
121.02869	2.1
122.98421	1.3
129.09125	1.8
130.04170	1.3
130.05020	1.2
135.03514	1.0
146.58919	1.1
147.04408	1.6
150.42790	1.2
152.98320	1.7
152.99506	23.0
153.99863	1.8
168.04248	4.5
169.12230	2.4
171.10193	1.8
181.12279	4.0
183.13818	2.3
197.11806	10.1
198.11975	1.3
199.13307	4.0
200.10095	0.9
211.13344	10.0
224.06879	9.4
235.17003	3.1
236.17447	2.7
241.01152	3.6
242.01309	1.6
242.08031	4.2
275.20163	3.7
276.20428	4.9
293.21262	11.4
294.21564	3.7
311.22266	46.0
312.22635	4.6
315.04916	1.4
316.05469	1.2
465.22452	2.5
536.29968	100.0
537.30261	13.0
610.27264	24.5
611.27130	10.8
611.35364	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	610.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.9
59.01253	29.2
61.67466	1.0
61.98715	3.4
69.23388	10.9
71.01271	1.3
74.36342	0.9
78.95788	22.9
80.96394	3.5
93.03350	1.1
96.95894	1.7
96.96851	1.9
99.08064	3.2
102.81274	0.9
111.08012	1.0
113.09628	3.2
121.02876	1.9
122.98428	1.1
129.09125	5.8
151.11212	1.5
152.99493	9.0
153.12747	1.1
168.04230	4.5
169.12276	4.8
181.12238	5.3
182.12648	0.9
183.13887	2.1
193.12323	1.9
197.11754	14.3
198.12251	1.0
199.13332	6.7
211.13348	18.6
212.13806	1.1
220.96645	0.9
224.06906	2.7
242.08038	6.2
253.08713	2.9
265.21741	1.4
275.20215	1.2
276.20364	1.5
293.21268	14.0
294.21524	1.9
309.00977	1.0
311.22290	90.4
312.22699	7.1
325.23834	2.2
465.22574	2.8
536.29950	100.0
537.30200	13.8
610.26685	3.8
611.26990	2.0
628.64679	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26614	0.4
59.01258	1.3
69.46742	2.5
69.47147	1.3
71.01255	0.7
93.03326	0.5
95.04898	30.7
96.05242	1.0
98.19808	0.7
106.99140	0.5
110.13713	0.4
121.10166	0.5
149.90717	0.5
150.02841	1.0
169.12280	0.7
171.10219	1.4
172.80585	0.4
179.14357	1.4
189.05255	0.9
195.13841	10.2
196.14384	0.8
197.11792	1.6
205.12302	1.1
205.16032	0.6
215.12872	0.6
223.13336	7.7
224.13808	0.6
225.11494	0.5
228.13632	0.7
246.12308	11.3
246.14749	0.7
247.12727	0.8
256.13129	1.4
275.20108	3.7
278.11334	72.9
279.11664	4.6
293.21210	100.0
294.21515	8.8
315.19391	27.6
316.19751	2.6
471.25705	0.6
566.84302	0.5
572.32031	2.9
609.41785	11.0
610.41589	1.9
616.55237	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87485	0.4
56.85110	0.4
59.01270	0.9
62.73846	0.5
71.06253	1.1
71.06591	0.6
78.95810	1.2
95.04901	36.1
96.05256	1.1
97.96187	0.5
105.35647	0.4
111.08067	0.6
113.09637	0.8
116.92764	0.9
147.41681	0.5
150.02931	1.0
152.99536	1.1
160.68721	0.5
167.10626	0.6
171.10164	0.8
179.14363	0.6
186.11168	0.5
189.05273	0.6
195.13843	9.7
196.14377	1.4
205.12250	1.1
205.15984	0.7
223.13359	8.7
228.13606	0.7
246.12343	11.1
247.12755	0.6
256.13263	1.6
275.20087	4.7
278.11353	70.5
279.11758	4.1
279.23239	0.8
280.23520	1.0
293.21219	100.0
294.21533	8.0
304.51868	0.5
309.16519	0.5
315.19391	25.4
316.19760	2.1
359.17807	0.7
572.32080	3.2
602.52185	0.7
609.32117	1.0
609.41388	10.4
610.41229	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	609.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01590	1.1
70.09594	1.3
73.87775	0.2
78.95780	0.8
80.31512	0.3
88.30022	0.2
98.19929	0.4
103.05422	0.9
108.45987	0.2
111.70910	0.2
130.04146	7.0
130.05107	0.5
131.04929	24.1
132.05241	1.0
149.05986	41.2
150.06334	1.4
152.99559	0.5
197.76424	0.3
217.81731	0.3
232.18002	0.3
255.23212	0.9
261.90268	0.4
270.40131	0.3
309.27820	0.3
310.28229	0.4
311.29123	0.3
351.89032	0.3
409.23212	0.3
535.36206	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	2.0
58.07118	1.2
59.01253	38.7
60.85395	1.3
61.98680	2.6
63.96094	2.3
70.82362	3.3
71.01259	15.4
72.99192	1.7
73.02826	6.8
75.00736	3.4
78.95780	2.9
78.98457	5.4
79.95609	21.6
80.96392	67.5
83.01286	2.0
85.02825	15.3
87.00739	6.4
88.98672	1.9
89.02303	3.0
91.03825	1.3
93.03314	1.3
94.97961	14.1
96.95881	4.2
97.02838	1.8
97.35208	1.1
98.20219	2.2
101.02347	9.2
102.69856	1.3
106.97949	3.2
111.00726	1.5
113.02335	3.8
122.97441	5.2
124.01619	2.4
125.02325	4.9
127.03838	1.3
127.11230	1.4
129.01816	1.7
133.04955	4.8
134.97462	4.5
136.99059	1.3
145.01305	2.1
148.99045	7.1
152.98499	4.8
164.98543	11.5
182.99664	1.8
191.01904	3.6
196.96304	1.6
206.94261	1.6
206.99573	2.3
209.02937	5.5
209.11743	2.9
225.00682	17.3
237.35339	1.3
255.02887	2.3
269.21204	2.4
271.02264	3.2
283.13907	1.6
287.22293	13.0
299.04391	3.4
300.02698	4.3
301.03500	2.0
405.32172	1.5
413.25296	4.2
424.95807	1.6
431.26462	29.9
432.26819	3.9
449.27496	13.2
473.27271	4.4
491.28674	9.9
523.06812	1.5
609.14789	4.1
609.25830	100.0
610.26031	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	609.2682
Annotation	Scortechinone P
Peak:m/z	Relative Intensity
51.58551	0.7
54.51331	0.7
56.35604	0.7
57.03331	4.4
59.01251	3.4
62.96284	0.8
64.20876	0.9
64.84795	0.7
70.26207	2.6
78.95779	82.4
79.95649	0.8
96.95921	4.1
96.96847	16.4
97.06451	1.1
99.82689	0.8
100.55644	0.8
101.02322	0.9
109.06510	1.2
113.09610	18.9
120.40915	0.7
121.02903	0.8
139.11176	1.5
149.09583	1.0
152.99495	100.0
153.99831	1.4
167.10683	2.6
171.00545	3.6
171.10162	2.4
179.10681	2.5
195.13847	2.5
223.00096	8.0
235.17061	1.3
241.01158	34.8
249.22307	2.0
259.02246	1.5
275.20160	3.6
293.21228	67.5
294.21454	5.1
315.04868	16.5
333.05899	2.5
429.20389	1.3
447.21573	1.7
609.26813	94.8
610.27216	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	609.268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57848	0.9
59.01251	1.1
61.98705	0.9
68.40058	0.9
71.44401	1.4
78.95778	79.8
87.37827	0.9
96.95884	1.5
96.96838	13.8
150.97940	1.7
152.99503	85.2
153.99854	1.4
171.00488	1.7
179.14279	1.6
183.13837	2.8
195.13876	9.5
196.14375	1.4
211.13400	1.3
223.00026	8.7
223.13373	7.2
241.01180	27.4
242.01424	1.1
245.89211	1.1
259.02313	1.5
263.79230	1.1
275.20120	6.2
289.39474	1.2
293.21231	40.7
294.21561	3.4
315.04904	9.8
380.08835	1.1
447.21530	1.7
609.26831	100.0
610.26996	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	609.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91004	0.5
59.01242	1.7
61.98692	0.6
70.69905	1.7
71.01240	1.0
75.31808	0.6
78.95773	74.2
93.89883	0.6
96.95905	0.7
96.96838	17.3
150.97900	0.8
152.99483	50.6
171.00487	0.8
171.10175	1.1
176.39470	0.6
179.14299	0.8
195.13846	10.3
196.14407	1.2
206.60588	0.5
211.13367	0.7
222.99989	2.7
223.13316	5.2
230.66652	0.5
241.01137	33.7
242.01453	0.8
249.18312	0.6
253.04710	0.6
259.02191	2.0
275.20139	3.9
293.21204	25.6
294.21527	2.1
315.04831	7.1
429.20505	7.6
511.19815	1.0
540.18872	0.6
609.26752	100.0
610.27063	16.1
610.36829	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.268
Annotation	Scortechinone P
Peak:m/z	Relative Intensity
58.82316	0.8
59.01251	1.7
61.98644	1.0
64.23823	0.9
68.35014	0.8
68.37280	0.8
71.44759	1.0
71.45094	1.1
78.95775	64.7
80.96380	3.3
82.95963	2.4
85.02840	1.1
86.94207	0.8
89.02225	0.9
96.96846	10.7
97.56380	0.7
152.99493	68.3
153.99829	1.1
164.98459	0.9
171.00534	2.2
171.10219	1.3
195.13754	6.4
196.14395	1.0
204.05231	1.0
205.12427	0.9
211.13385	1.0
211.54909	1.1
219.65179	0.9
223.00063	6.3
223.13380	6.8
229.74771	0.9
235.17024	1.1
241.01167	25.0
259.02148	1.7
275.20114	4.4
286.47849	0.9
293.21231	36.4
294.21552	3.0
315.04788	10.0
333.06042	1.1
440.92545	1.1
562.18817	1.0
609.26740	100.0
610.27008	16.2
623.67023	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.0
58.00488	0.6
59.01247	10.2
61.98687	3.7
63.96104	1.1
69.03325	0.9
69.35185	6.1
71.01250	10.0
72.99168	1.4
73.02813	1.7
75.00738	3.7
78.90384	0.7
78.95780	2.1
78.98457	5.7
79.95602	17.6
80.43140	0.6
80.96388	54.3
81.03326	1.0
83.01254	0.7
85.02821	7.6
87.00751	3.8
89.02298	2.3
93.03312	0.6
94.97956	12.7
95.01298	0.8
96.95889	3.2
97.02818	1.8
99.00743	1.3
101.02314	5.9
106.97980	3.3
109.02786	0.9
111.00772	1.5
113.02302	2.4
122.06042	0.9
122.97460	5.3
125.02322	2.7
127.03888	0.7
129.01813	0.7
133.04955	6.7
134.97482	3.0
136.99017	1.5
142.25807	0.7
148.99046	5.9
152.07175	0.8
152.98523	7.3
159.10121	1.6
161.04480	1.1
164.98535	9.5
171.10144	3.6
182.99612	2.2
191.01878	1.2
206.99648	3.3
209.02933	1.0
209.11746	1.1
211.13309	2.9
225.00684	19.0
243.01556	1.3
255.02934	0.8
259.24042	0.7
271.02441	1.5
276.91220	0.7
285.12549	0.9
299.04541	3.2
300.02759	2.0
301.03342	1.3
397.13431	1.5
429.28467	2.2
459.22464	0.7
488.60626	0.7
489.34067	1.1
557.96100	0.8
609.25806	100.0
610.26117	13.4
610.35339	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.5
59.01252	7.4
61.12368	0.5
61.98701	3.5
63.96099	1.4
69.03318	0.5
70.86906	1.4
71.01250	9.9
73.02819	2.1
75.00743	0.9
78.91831	0.5
78.95788	1.7
78.98454	6.6
79.20831	0.4
79.95602	14.0
80.96391	68.2
81.03329	0.7
83.01232	0.8
85.02828	6.0
87.00736	3.7
89.02279	1.0
93.03355	1.0
94.97961	16.8
95.01253	0.5
96.95875	2.2
97.02814	2.2
98.48969	0.5
99.00769	1.0
101.02328	4.8
103.03831	0.6
103.92262	0.6
106.97948	2.8
111.00771	1.0
113.02322	1.9
122.97482	5.1
125.02328	3.3
127.03890	1.2
129.01776	0.5
134.97467	4.2
136.99049	1.6
137.02312	0.9
148.99054	5.6
152.98517	6.5
152.99561	0.5
164.98534	11.3
171.10123	0.9
182.99599	1.1
191.01810	0.7
197.11795	0.9
206.99600	2.5
211.13350	1.7
225.00696	17.9
226.00830	0.6
243.01671	0.7
251.54637	0.5
271.02411	0.7
299.04443	2.0
300.02579	1.1
389.06702	1.2
405.09845	2.8
447.91235	0.5
489.34290	1.2
549.33057	1.0
567.34003	1.5
609.25818	100.0
610.16125	0.8
610.26160	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.6
59.01245	0.8
61.98703	2.1
63.96111	1.4
64.29045	0.4
71.01252	7.0
71.04330	1.1
73.02820	1.8
78.98466	5.2
79.95607	9.9
79.96077	0.5
80.96388	61.1
81.03320	0.8
85.02824	2.7
87.00761	2.3
93.03324	2.2
94.97958	14.1
96.95891	0.8
97.02813	1.2
99.00768	0.6
101.02303	2.9
106.97951	2.5
113.02258	0.5
122.06000	2.2
122.97472	5.1
123.04424	0.9
125.02342	3.6
127.03874	0.8
134.97462	4.9
136.99042	1.5
146.97467	0.5
148.99049	6.6
152.07022	3.0
152.98535	6.6
164.98549	11.0
182.99593	1.5
197.11752	0.9
206.99640	3.1
225.00696	16.7
243.01724	1.3
255.03021	0.6
257.04333	0.6
260.04111	0.4
263.08163	1.2
267.02924	0.8
268.03839	1.1
277.09802	1.3
278.10580	2.8
283.06274	0.6
291.11502	0.5
299.04382	2.4
311.05460	1.0
333.07620	3.5
334.07660	0.8
361.07166	6.9
362.07632	0.9
389.06696	15.5
390.07175	4.8
404.09015	8.4
405.09735	19.7
406.10159	2.6
436.29889	0.5
443.18610	0.9
457.19769	0.5
487.17438	5.0
488.17633	0.5
513.76923	0.5
565.24115	0.9
609.16187	8.3
609.25690	100.0
610.16547	1.6
610.26025	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	609.1465
Annotation	Cyanin
Peak:m/z	Relative Intensity
56.04667	1.9
56.73626	2.1
71.56936	3.6
72.16122	2.2
128.03398	2.3
183.04465	5.3
211.04030	3.2
227.03375	7.1
255.02982	48.1
256.03391	3.3
283.02484	100.0
284.03073	16.0
285.04041	78.6
286.04422	5.3
327.05112	5.0
446.08606	16.4
447.09293	51.8
448.09790	7.0
609.14532	34.0
610.14795	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	609.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24715	0.4
57.03315	1.0
59.01253	3.4
61.98693	3.0
63.96111	1.6
68.99680	0.4
69.03299	0.7
70.54840	1.2
71.00883	0.8
71.01252	8.8
72.99194	0.7
73.02819	2.3
75.00744	0.7
77.84730	0.5
77.94346	0.4
78.95769	1.0
78.98461	6.5
79.95605	13.0
80.96389	65.3
81.03320	0.5
83.01247	0.6
85.02821	4.7
87.00748	2.9
89.02302	1.1
89.36562	0.4
93.03323	2.5
94.97959	16.0
96.95894	1.5
97.02837	2.1
99.00782	1.0
101.02302	3.9
106.97958	3.1
113.02338	1.0
122.06046	0.5
122.97457	5.3
123.04424	0.6
125.02348	2.7
127.03911	1.0
134.97482	4.0
136.99023	1.4
145.02835	0.5
146.97377	0.8
148.99054	5.7
151.00314	0.4
152.07074	1.2
152.98521	5.5
164.98540	12.1
167.00122	0.5
182.99609	1.3
188.98672	0.4
191.01930	0.5
197.11813	0.7
206.99663	3.4
209.11714	0.5
211.13359	2.7
225.00697	16.5
239.03433	0.9
240.04242	0.4
243.01892	1.2
255.02882	0.8
257.04498	0.4
261.21759	0.4
263.08032	0.7
267.02936	0.9
268.03619	1.5
271.06061	1.4
275.10574	0.5
277.09601	0.4
278.10568	1.2
299.04422	2.6
300.02533	1.2
301.03146	0.7
333.07550	1.2
356.74191	0.4
361.07059	4.2
362.07715	0.9
389.06638	11.2
390.07083	2.6
397.13504	0.6
404.09015	7.8
405.05136	0.6
405.09833	8.0
406.09894	1.1
487.17346	1.8
549.13678	1.6
549.32593	0.7
565.24805	0.7
567.33826	0.5
609.16144	6.6
609.25751	100.0
610.16180	1.7
610.26056	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	609.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25416	0.4
50.48707	0.4
55.73121	0.5
57.85740	0.5
59.01259	2.6
63.02274	0.5
65.00189	2.6
65.21445	0.5
68.99652	0.7
71.01263	2.4
73.02826	1.2
81.46636	0.6
83.01278	1.2
85.02828	1.6
87.00739	0.6
89.02306	1.6
93.03335	1.1
95.01263	1.4
96.95871	0.9
99.00762	1.1
101.02328	1.7
107.01288	2.6
108.02058	1.1
109.02826	1.4
109.99982	2.8
110.03165	0.5
111.00767	2.4
113.02361	0.6
113.88354	0.5
117.03388	1.0
121.02849	1.5
123.00781	2.1
124.01521	1.0
125.02340	1.6
130.04181	0.7
132.02068	0.6
133.02852	0.7
135.00783	1.4
135.04417	0.6
136.98711	1.0
137.02328	1.7
137.99486	1.5
139.00264	4.1
141.01897	0.6
143.04964	1.2
145.02850	1.0
149.02316	0.7
151.00291	9.2
152.01079	3.6
153.01852	1.3
161.02344	0.7
162.03160	0.8
163.00325	2.5
164.01065	0.6
165.01825	0.6
165.98985	3.9
166.99792	3.0
167.04971	0.8
169.01331	1.2
171.04434	2.0
173.02322	1.1
174.03085	0.8
177.05566	0.6
178.99773	4.7
182.03606	0.6
183.04454	2.5
185.06102	1.1
187.03922	2.2
191.01990	0.7
193.01430	1.0
193.98553	0.8
197.02194	0.6
198.03192	1.3
199.03946	2.6
200.04755	1.4
201.05482	1.9
206.99289	0.7
209.00888	1.0
209.02917	0.5
209.11777	1.7
210.12035	1.5
211.03879	3.2
215.03453	2.5
216.04211	0.7
226.02641	1.7
227.03421	9.5
228.04007	1.6
229.05055	3.5
229.06940	0.5
236.37764	0.5
239.03438	1.4
243.02959	11.4
244.03514	2.0
245.04454	1.5
254.02193	3.1
255.02962	37.3
256.03500	3.3
257.04575	4.7
258.04803	0.6
271.02472	43.2
272.03140	11.7
273.03946	2.3
282.01791	1.1
283.02466	11.9
284.03070	2.7
285.04047	3.3
299.01993	2.2
300.02740	64.7
301.03485	48.8
302.03918	3.1
312.73737	0.6
317.44208	0.5
343.04550	0.6
397.13812	1.0
416.14825	0.6
489.12225	1.9
544.09363	0.5
549.52783	0.5
578.77509	0.6
591.13635	2.0
609.14587	100.0
610.14862	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	609.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	2.0
59.14119	1.3
71.34392	3.4
78.95787	2.9
83.01312	1.6
85.02846	2.0
89.02296	1.6
96.95876	3.3
107.01257	5.0
109.02882	1.8
121.02869	4.0
124.60355	1.6
128.03526	1.6
151.00293	11.3
152.99515	2.8
178.99788	4.7
226.02573	1.9
227.03340	3.6
243.03069	11.2
254.02100	2.4
255.02959	30.9
271.02478	66.6
272.02890	5.4
284.03165	1.9
285.04041	2.4
300.02753	100.0
301.03479	44.1
302.03635	2.3
338.57755	1.5
384.06158	1.7
607.44012	1.9
609.14600	99.3
609.25708	4.2
610.14679	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	609.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80294	0.2
56.24417	0.2
59.01242	1.1
65.00202	0.4
69.13702	0.3
69.38081	1.8
69.38492	0.5
71.01243	0.9
75.36774	0.3
85.02820	0.6
89.02320	0.8
96.95889	0.9
101.02351	0.6
107.01244	1.3
107.80932	0.2
108.01974	1.6
113.02323	0.3
121.02839	0.7
124.01584	0.3
128.03429	0.6
135.00772	0.6
137.02377	0.4
148.01590	1.3
151.00287	3.3
152.00850	0.3
153.01814	0.4
158.12366	0.3
163.00284	1.1
163.03987	0.3
164.01042	0.8
167.27481	0.3
169.01372	0.6
178.99797	2.7
199.03911	0.9
203.03714	0.3
209.03004	0.4
211.03925	0.7
215.03380	0.6
216.04294	0.5
226.02641	1.9
227.03413	2.8
243.02983	10.6
244.03426	0.6
254.02170	2.4
255.02963	24.0
256.03278	1.9
271.02463	58.5
272.02939	4.9
272.08856	0.3
283.02591	0.3
284.03305	0.4
299.01974	2.4
300.02728	100.0
301.03259	11.7
302.03879	0.4
306.07672	0.3
307.01807	0.3
311.67557	0.3
445.07458	0.5
463.08344	0.6
489.10278	0.5
609.14575	63.6
610.14893	9.2
637.97644	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69490	1.1
57.03329	1.3
59.01237	6.0
63.02264	2.0
65.00191	2.2
71.01241	4.8
71.57832	1.9
72.99162	1.4
75.00745	1.8
79.68233	1.3
83.01253	1.9
85.02824	7.7
89.02293	2.5
93.03323	11.1
95.01241	2.0
96.95840	2.0
101.02302	3.9
107.01264	2.7
109.02804	4.3
109.72939	1.3
111.00739	1.8
117.03312	1.6
119.01239	1.4
119.04865	1.9
121.02829	2.6
125.02301	2.1
133.02824	1.7
133.04958	2.4
135.00740	5.9
137.02327	8.5
139.03917	1.7
140.96808	1.3
143.04933	1.7
145.02853	7.9
147.04410	4.5
148.01569	2.4
149.02304	4.2
151.00252	3.6
159.04292	1.3
161.02339	6.5
163.00275	39.9
163.03870	1.4
164.00713	2.2
165.01822	3.1
167.04926	1.4
169.06500	2.7
171.04393	9.1
174.03008	1.2
175.00226	2.0
176.01076	4.0
177.01801	2.2
183.04379	5.0
187.00266	2.3
187.03908	3.1
188.01083	2.2
189.01842	5.7
189.05424	1.5
190.99806	2.1
191.01871	2.2
191.03481	1.7
193.01250	1.3
195.04446	2.9
197.02594	1.5
198.03127	3.4
199.03879	4.1
200.04419	2.6
201.01877	1.6
203.03444	2.9
205.01250	2.8
211.03923	16.1
211.13327	12.0
212.04546	2.9
213.01839	3.4
213.05458	3.7
214.99748	1.6
215.03427	1.6
224.04747	1.5
225.05472	3.5
226.02556	2.0
227.03427	11.3
228.04184	3.3
229.01384	5.5
229.04971	4.0
230.02025	1.6
231.03009	7.0
235.07800	1.3
239.03441	8.3
240.04152	2.8
241.05023	4.6
242.01851	1.9
243.02902	3.7
251.03418	3.6
252.04124	1.9
253.01390	2.3
253.04962	6.9
254.02205	1.7
255.02951	29.6
256.03668	10.7
257.04556	16.7
266.02176	2.4
267.02954	10.6
268.03650	3.4
269.04352	6.1
271.02438	8.5
272.02942	2.0
275.05627	1.8
279.02948	2.3
281.04495	10.2
282.01727	3.9
282.99445	2.7
283.02484	47.8
284.03116	9.2
285.03998	10.9
295.02432	4.4
296.03094	3.5
297.04047	9.2
299.01987	3.3
300.02713	8.9
301.03421	3.3
307.02463	3.3
308.03149	4.5
309.03964	15.9
310.01154	2.0
311.01968	25.3
312.02734	37.8
313.03503	10.4
314.03918	2.7
319.06137	1.7
325.03500	13.1
326.03885	3.1
337.03711	2.0
345.07718	1.8
347.05573	1.8
348.06393	5.1
349.06772	1.6
352.02112	5.2
353.02982	46.4
354.03244	4.6
368.07736	1.4
376.05676	6.4
377.06610	8.3
378.07291	1.7
379.08182	2.1
397.13547	6.8
401.06763	4.1
402.07388	7.5
404.05255	18.1
405.06116	61.8
406.06677	9.6
407.07529	1.5
415.14542	3.3
417.08047	3.0
419.07346	1.4
423.07071	3.8
429.05988	2.7
429.13904	1.4
446.06448	6.2
447.07129	37.7
448.07562	3.9
497.06821	3.0
515.08246	67.0
516.08459	10.0
609.12531	100.0
610.12982	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	609.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46300	1.3
53.95941	1.1
59.01249	8.0
63.02261	3.1
65.00176	3.1
70.88898	2.8
70.89241	1.7
71.01252	5.8
83.01247	3.2
85.02812	4.3
89.02280	3.0
93.03322	11.1
96.95892	2.6
101.02298	4.1
107.01285	1.8
109.02823	3.3
111.00784	1.8
113.02303	2.2
119.01322	1.6
121.02908	1.8
123.04420	1.3
123.08797	1.3
125.02330	3.1
133.02852	2.2
135.00740	6.0
136.01538	2.6
137.02345	9.7
143.04950	1.6
145.02856	7.2
147.00787	1.6
147.02907	1.4
147.04428	4.7
148.01497	1.6
149.02315	4.4
151.00264	3.1
155.04881	1.7
159.04375	1.5
160.01569	2.3
161.02376	7.3
163.00293	37.3
164.00784	2.4
165.01845	2.1
167.04897	1.3
169.06540	1.8
171.04430	9.3
173.02280	1.5
175.00279	2.3
175.03876	2.3
176.01044	4.1
177.01823	2.0
182.03587	1.5
183.04491	5.0
185.02448	1.5
185.05951	1.7
187.00278	2.4
187.03888	2.9
188.01152	2.4
189.01840	6.9
189.05424	2.5
190.99754	4.0
191.01799	2.5
195.04498	1.4
199.03877	4.4
201.01988	2.8
203.03392	4.1
205.01367	4.2
209.02869	1.8
211.03946	16.5
211.13335	13.0
212.04584	2.2
213.01831	4.7
213.05472	3.5
214.02620	1.3
215.03468	2.1
223.04008	3.1
225.05481	3.8
226.02592	2.4
227.03455	10.9
228.04144	4.8
229.01328	5.0
229.04933	4.5
230.02055	1.6
231.02911	6.0
231.06464	1.5
237.05455	3.1
239.03436	9.7
240.04117	4.9
241.01312	2.6
241.04977	4.5
243.02921	3.7
251.03455	2.1
253.01390	1.8
253.05104	7.4
254.05380	1.5
255.02969	30.2
256.03714	7.8
257.04517	17.0
259.02640	1.4
266.02136	3.9
267.03006	11.9
268.03625	3.3
269.04550	9.2
271.02557	6.9
272.03000	1.6
279.02872	2.5
281.01675	1.2
281.04614	8.8
282.01706	3.1
283.02472	49.5
284.03015	8.2
285.03992	9.6
295.02405	3.3
296.03137	1.6
297.04034	8.0
299.01938	3.5
299.05707	1.8
300.02747	4.7
307.02484	3.7
308.03140	4.6
309.04037	14.2
310.01065	2.8
311.01953	23.3
312.02710	34.4
313.03369	11.2
315.04889	2.0
323.01859	1.9
325.03568	15.2
326.04089	1.7
335.02124	1.6
345.07434	1.5
347.05539	2.8
348.06317	5.3
351.07892	1.5
352.02213	4.6
353.02982	44.0
354.03412	4.6
376.05847	8.0
377.06476	7.4
379.08057	2.0
397.13351	6.0
401.06458	4.5
402.07294	9.6
403.08322	1.7
404.05371	18.2
405.06091	61.5
406.06577	12.0
407.07867	2.1
415.14679	3.6
417.08575	2.3
423.07245	4.0
446.06293	8.5
447.07150	32.9
448.07465	5.7
471.09494	1.6
482.19400	1.4
497.07404	3.0
515.08276	61.7
516.08710	7.5
609.12512	100.0
610.12811	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	24.8
69.03338	1.5
69.87121	1.8
69.87524	4.9
69.95445	1.1
78.95777	47.9
80.96399	2.3
86.24744	1.0
95.73315	1.0
96.96854	1.8
98.19886	2.0
121.02946	0.9
122.98422	2.0
128.33017	1.1
134.82634	1.1
147.04382	1.2
152.93991	0.9
152.98462	1.4
152.99506	11.7
168.04190	6.6
189.16420	2.0
195.13864	7.6
207.13914	1.7
207.17511	3.1
221.15466	3.0
223.16998	15.9
224.06895	13.4
224.17223	1.1
233.15436	12.3
235.17044	1.4
237.18570	1.6
242.08037	5.5
251.16495	36.2
252.16879	3.0
265.18082	26.4
266.18369	2.1
269.48831	1.0
273.18729	1.6
291.19693	5.8
309.20685	32.9
310.21173	2.7
323.22305	2.4
368.72037	1.3
405.16537	1.1
463.21066	3.5
490.25781	31.2
491.26434	4.1
534.28363	100.0
535.28583	12.8
548.29962	2.8
570.60388	1.1
609.25861	4.3
609.76935	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	1.9
59.01254	37.4
61.98692	2.0
67.65845	1.0
69.03328	2.3
69.62497	6.5
71.01263	1.0
71.04889	2.4
78.95779	30.6
78.98480	0.9
79.95605	2.2
80.96390	11.4
83.04882	1.7
87.04362	1.1
87.52137	0.8
93.03343	1.1
94.18398	0.8
94.97961	2.5
96.96816	1.8
97.06463	1.6
101.05942	0.8
109.06536	0.9
121.02853	1.6
121.66177	0.8
122.98428	1.7
131.04874	0.9
147.04405	1.2
152.98529	0.7
152.99513	13.8
157.95129	0.9
164.98512	1.2
168.04243	6.7
177.12770	1.1
179.42035	0.8
189.16399	2.6
195.13843	10.6
207.13832	4.5
207.17482	6.7
209.15459	1.6
215.14452	1.3
221.15417	6.1
223.17000	28.3
223.52405	0.8
224.06944	4.9
224.17336	2.1
225.00650	2.3
233.15446	26.6
234.15707	0.8
235.16960	3.6
237.18527	2.4
242.07941	9.8
247.16916	1.3
251.16519	65.4
252.16838	4.0
265.18094	51.2
266.18463	4.0
273.18622	2.5
275.19415	0.9
291.19635	11.8
292.19876	1.0
309.20715	82.9
310.21103	7.4
323.22266	4.1
431.18243	1.7
463.21100	3.5
490.25787	25.4
491.25858	2.8
534.28357	100.0
535.28656	15.1
546.20319	1.6
548.29907	2.4
608.23669	2.4
609.26044	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	608.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85316	1.1
57.03304	1.7
59.01252	23.6
60.62123	1.3
61.98685	2.8
62.69117	1.0
65.25793	1.3
69.36295	1.0
71.01248	1.7
71.04871	1.6
75.00742	3.3
78.95777	100.0
81.03323	1.5
83.01269	4.2
83.04899	2.9
93.03318	2.8
93.49213	1.0
95.04941	1.4
96.95886	2.5
96.96829	8.4
97.06460	2.4
101.56710	1.2
116.04941	1.7
116.87186	1.0
121.02850	2.0
122.98399	1.9
123.08059	1.4
125.05953	1.5
125.09571	5.8
137.09566	1.3
139.11137	3.3
140.01019	2.3
145.02766	1.1
146.04546	1.3
150.97864	1.3
151.11214	1.9
152.99493	98.4
163.11226	2.4
165.12820	6.5
167.10657	1.9
168.04135	1.8
171.00552	4.9
171.10133	1.7
171.14137	1.5
181.12347	2.8
185.11731	1.5
191.10704	4.1
193.15849	1.5
195.13811	1.5
209.11777	30.0
210.12112	2.2
223.00197	1.2
223.13245	2.7
241.01144	7.7
242.07922	5.1
247.20724	5.8
253.08652	1.3
265.21527	1.6
273.18561	2.1
275.20108	2.3
291.19638	29.7
291.22684	2.5
292.20065	5.5
293.21228	7.2
309.20703	33.3
310.20944	3.0
315.04773	3.8
323.22278	6.9
324.22632	1.4
393.24213	2.6
411.25565	3.3
429.20377	2.7
446.20804	1.6
447.21466	27.3
530.25543	1.2
534.21930	1.9
534.28369	52.0
534.36554	2.6
535.28735	5.0
548.29974	4.0
579.20276	1.4
608.26642	7.3
609.26685	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	608.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.9
57.93004	1.0
59.01255	21.9
60.92340	1.1
61.98680	1.9
71.01247	2.4
71.04928	1.4
71.45084	1.9
71.45419	1.4
73.85433	1.1
75.00743	1.4
78.95777	100.0
80.96397	2.6
81.03352	1.4
83.01264	3.0
83.04897	3.6
95.04886	1.4
96.95910	2.7
96.96850	10.6
97.06516	2.4
104.75626	1.2
113.09614	3.4
119.04937	1.9
122.98431	2.0
123.08041	1.7
125.09631	4.3
139.11198	1.6
144.90681	1.1
148.84982	1.1
149.15608	1.2
150.97937	1.5
151.11214	2.3
152.99493	92.8
163.11198	3.1
165.12749	6.1
167.10666	2.6
168.04283	5.1
171.00584	3.5
171.10132	2.1
181.12257	4.0
191.10634	2.4
209.11772	24.4
223.00122	2.0
223.13455	1.8
224.06880	11.7
241.01079	8.7
242.07968	3.7
247.20708	4.0
254.13414	1.3
273.18622	2.0
275.20282	1.7
291.19635	18.0
292.19983	3.6
293.21289	13.2
305.21143	1.3
309.20679	19.4
315.04803	4.4
323.22327	3.8
429.20456	1.9
447.21497	19.4
458.93320	1.2
534.28351	73.7
535.28741	11.3
548.29742	6.2
608.26465	3.8
609.26666	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67632	0.2
57.03310	0.3
59.01247	1.0
60.55251	0.2
60.78417	0.2
61.98703	100.0
62.16141	0.2
71.01265	1.3
71.57951	0.3
74.24905	0.2
75.00757	0.3
78.95786	1.8
78.98476	0.6
79.95606	1.6
80.96388	5.5
83.69346	0.2
85.02831	0.8
87.00773	0.5
94.97962	1.0
96.95903	0.5
96.96849	0.3
97.02837	0.3
100.74079	0.2
101.02330	0.7
108.97451	0.2
111.00813	0.2
113.02387	0.3
122.06047	0.7
122.97510	0.2
125.09666	0.3
129.36977	0.2
134.97487	0.5
137.02379	0.4
146.08177	0.5
148.99052	0.6
152.07133	0.6
152.98488	0.5
152.99536	1.7
164.98611	0.9
171.10260	0.3
207.10252	0.3
209.11850	0.4
211.13361	0.3
225.00688	1.3
241.01241	0.4
263.08249	0.3
275.08316	0.3
275.20117	0.3
277.09790	0.4
278.10706	0.8
278.66855	0.2
291.11420	0.3
293.21295	0.4
300.02890	0.7
312.21512	0.2
401.93094	0.2
439.17651	0.3
443.18585	0.3
481.57602	0.3
487.17770	1.6
585.14148	0.3
608.24530	7.4
609.25128	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	608.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02849	7.6
72.00766	0.8
74.02348	15.4
78.95755	1.2
82.02858	1.3
85.02831	0.9
86.02351	5.2
86.06022	0.9
87.05531	3.4
90.00105	1.1
96.04487	0.9
97.03967	2.9
99.05530	10.2
99.93297	0.9
101.07090	1.5
102.05495	2.1
108.04504	0.9
109.03983	2.4
109.07667	0.8
111.05526	0.9
112.03959	1.9
123.05494	1.3
125.03465	2.2
127.05046	2.4
128.03427	39.2
129.03752	1.3
135.05542	3.2
141.06587	2.6
143.04530	48.3
144.04895	1.4
145.06099	1.6
146.04509	4.2
149.07117	1.0
153.06650	3.7
160.00662	14.2
160.01907	1.5
166.09787	2.2
167.04549	3.8
167.08179	3.0
177.03281	3.9
179.04547	11.0
181.06158	1.8
184.10823	0.9
185.05659	1.5
192.07640	1.1
197.05641	1.6
209.11786	2.0
210.08798	8.1
242.07906	1.2
254.07813	11.9
272.08856	18.8
273.09274	1.2
276.31833	0.9
288.06595	7.8
306.07660	100.0
307.08002	6.7
314.85672	1.0
370.80624	0.9
589.54175	0.8
600.57874	1.0
608.24908	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	608.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97714	0.5
57.51193	0.5
58.02849	4.7
59.95806	0.6
69.34627	4.4
70.02844	0.5
72.00779	0.7
72.27920	0.5
74.02348	9.9
74.38596	0.5
81.04441	0.7
82.02869	1.4
84.04418	0.7
86.02348	4.9
86.05991	0.7
86.98984	0.7
87.05516	2.3
90.00056	0.8
90.14130	0.5
97.03948	1.1
98.20741	0.5
99.04919	0.8
99.05523	8.2
100.00256	0.7
100.99062	0.5
101.07108	1.2
102.05488	1.4
107.06012	0.7
109.03959	1.2
109.07629	0.6
111.05541	0.8
112.03905	1.2
116.01679	0.7
123.05544	1.0
124.03944	0.6
125.03450	0.7
127.05000	2.0
128.03429	29.8
131.04521	0.6
135.05490	2.4
137.07170	0.6
141.06583	1.5
143.04530	37.6
144.04863	1.0
145.06111	1.5
146.04468	2.9
153.06609	2.3
155.08092	0.7
160.00655	10.2
161.00995	0.5
166.09726	1.1
167.04553	2.3
167.08165	1.6
174.05409	0.5
177.03297	4.7
179.04539	8.5
181.06114	1.5
184.10764	0.7
185.05638	1.3
192.07651	0.8
193.74446	0.6
197.05606	1.3
209.11819	0.7
210.08786	8.5
254.07805	11.2
255.08026	0.7
272.08890	19.3
273.09277	2.0
288.06644	8.0
306.07648	100.0
307.07935	4.7
608.25269	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	607.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.5
57.04792	1.1
59.01245	4.0
61.98693	3.1
69.03328	2.4
71.01262	1.0
71.04887	1.9
71.58053	1.7
78.95780	34.5
93.03315	1.7
93.19635	1.0
96.95889	3.3
96.96853	4.8
108.02010	1.0
110.37096	1.0
121.02827	1.4
131.04869	1.1
148.49783	0.9
149.05975	1.3
152.99498	42.2
167.10681	2.7
179.10703	1.7
179.14316	3.9
185.11765	1.4
193.12460	1.2
195.13860	12.3
205.12289	10.7
208.93857	1.1
223.13354	100.0
224.13666	5.6
241.01207	6.5
251.16464	4.2
256.05167	1.0
291.19656	10.3
309.20410	1.6
315.05060	2.0
445.19928	6.8
446.20187	1.3
534.27905	1.6
540.83679	1.1
542.70007	1.1
559.30463	1.4
577.30103	1.1
607.25470	17.6
608.25940	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	607.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13971	0.2
50.32485	0.2
51.33897	0.2
56.12718	0.2
57.03302	0.4
59.01250	10.4
61.98700	0.3
69.03326	0.3
70.31711	0.8
71.01250	3.0
72.99182	8.7
73.02822	0.6
75.00745	100.0
75.52975	0.2
76.01073	1.3
78.95779	0.6
80.96388	0.5
83.01254	0.6
84.37048	0.2
85.02828	1.4
87.00740	1.2
87.04369	0.2
89.02325	0.6
96.95898	0.8
97.02769	0.3
99.00744	0.7
101.02318	1.3
106.17757	0.2
111.00775	0.4
112.01522	0.2
113.02322	0.9
115.03859	1.1
117.01849	0.4
122.72137	0.2
125.02336	0.6
125.05989	0.2
133.04961	55.9
134.05321	1.4
140.49396	0.2
143.03407	0.2
151.72026	0.2
156.00221	0.2
209.11728	1.2
216.48280	0.2
269.21066	1.0
287.22266	3.7
288.22629	0.3
329.22983	0.2
397.13568	0.5
431.26645	2.9
432.26602	0.5
449.27414	2.5
473.27673	1.8
487.32635	0.7
489.27048	2.3
490.26672	0.3
491.28625	2.8
492.28723	0.3
507.28055	4.3
508.28333	0.4
519.27747	0.3
547.31543	0.4
549.29144	31.8
550.29498	4.1
565.32324	0.5
607.25580	0.7
607.33319	20.5
608.33575	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	607.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13472	12.8
59.01251	32.3
69.55785	100.0
71.01245	24.4
72.48435	14.2
78.95758	65.0
79.29855	13.4
89.02303	13.9
96.95894	26.6
120.78362	12.2
122.49037	14.1
152.99513	26.1
173.58058	12.4
185.05128	13.5
256.46127	14.4
276.69073	13.4
277.21741	58.3
278.21970	13.0
291.23343	35.1
415.21619	13.6
547.22522	15.0
607.42194	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	607.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.3
59.01249	9.9
60.17363	0.2
61.98701	0.3
71.01248	2.8
71.58486	0.3
72.99180	9.4
73.02813	0.9
75.00743	100.0
76.01074	1.0
78.95769	0.7
80.96378	0.3
83.01284	0.5
85.02824	1.7
87.00742	1.1
89.02332	0.7
95.01283	0.4
96.95900	0.8
97.02827	0.4
99.00769	0.4
101.02319	1.8
111.00806	0.2
112.44314	0.2
113.02347	0.8
114.95348	0.2
115.03905	0.8
117.01815	0.3
122.35801	0.2
124.01558	0.3
125.02379	0.4
127.62580	0.2
130.14394	0.2
130.15317	0.2
132.38606	0.2
133.04956	60.3
134.05281	1.4
171.10226	0.3
193.41771	0.2
209.11768	1.3
246.55847	0.2
257.13992	0.2
269.21329	1.0
287.22269	3.7
288.22601	0.3
397.13522	0.8
431.26428	2.7
449.27380	2.2
473.27454	2.0
474.28128	0.3
487.32764	0.8
489.26968	2.9
490.27267	0.3
491.28580	2.9
507.28082	3.4
508.28491	0.5
547.30981	0.3
549.29114	30.5
550.29504	4.8
565.32391	0.8
607.33307	20.2
608.33679	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	607.2434
Annotation	Tiliasine
Peak:m/z	Relative Intensity
59.01261	4.0
61.53346	0.6
61.98715	0.8
63.96106	1.3
65.03834	1.5
69.03339	0.7
71.01256	6.6
71.04890	0.8
72.99162	0.7
73.02809	2.0
77.26383	0.7
78.95764	3.1
78.98061	0.9
78.98462	5.4
79.95615	14.8
80.96395	62.3
81.03306	0.7
81.95251	0.7
85.02831	2.0
87.00742	2.0
94.97967	16.3
96.95892	14.3
96.96835	1.2
97.02885	1.2
97.06478	0.9
98.19749	1.4
101.02338	3.1
106.97984	3.9
113.02348	1.0
121.06506	1.9
122.97474	5.4
125.02336	2.3
125.09627	1.2
127.03874	0.7
127.32416	0.6
134.97501	3.4
136.99008	0.9
148.27390	0.8
148.99042	6.3
152.98517	5.7
152.99576	1.9
164.98572	10.2
171.10182	1.0
182.99626	2.4
185.11787	1.2
206.99591	2.0
209.11917	1.5
225.00714	16.8
235.13396	1.3
243.01746	1.4
291.19806	2.2
299.04391	2.5
309.20737	3.3
347.14923	0.7
371.07166	0.8
385.09579	3.6
532.26483	1.5
533.27020	2.0
534.28613	6.7
547.15643	1.2
549.19379	0.8
589.18518	1.2
607.24310	100.0
608.24762	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	607.243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.3
59.01255	2.2
61.98701	1.4
63.96111	1.3
69.03330	0.7
71.00887	0.7
71.01254	8.1
71.57912	0.7
72.99215	0.4
73.02823	1.5
78.95784	2.1
78.98460	6.8
79.85656	0.4
79.95603	15.5
80.96391	74.1
81.03326	0.9
82.61545	0.3
83.01259	0.8
85.02829	4.4
87.00751	3.0
94.97964	16.7
96.95902	1.3
96.96844	0.7
97.02824	1.8
99.00745	0.8
101.02326	2.7
106.97958	3.3
113.02312	0.9
121.02940	0.4
122.97479	3.3
125.02353	2.7
127.03894	0.9
134.97462	5.3
136.99030	1.5
148.99049	6.4
152.98494	5.3
152.99553	1.1
155.47978	0.3
161.04494	0.4
163.51682	0.4
164.98544	12.4
167.00061	0.5
188.98555	0.7
206.99677	2.4
209.11749	1.0
211.13353	0.9
212.79599	0.4
225.00691	14.3
226.00996	0.5
230.68547	0.3
241.01013	0.7
247.93875	0.4
281.53940	0.4
291.19531	0.7
299.04510	2.4
315.04129	0.4
371.06400	0.7
399.09689	0.6
427.12701	0.6
441.14252	0.5
509.16370	0.8
513.16107	0.4
607.24310	100.0
608.24640	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	607.2428
Annotation	Tiliasine
Peak:m/z	Relative Intensity
52.07718	0.4
57.03315	0.5
57.79836	0.4
59.01249	1.7
59.05022	0.4
61.98692	1.0
63.96115	0.9
69.03321	0.9
69.88555	2.2
71.00883	0.7
71.01250	8.4
73.02826	2.0
78.07349	0.3
78.95777	1.6
78.98463	6.3
79.95242	0.2
79.95605	14.8
80.96390	75.2
81.03337	1.1
85.02816	3.0
87.00754	3.0
89.02335	0.6
92.87423	0.4
93.03298	0.7
94.97962	16.5
95.01263	0.7
96.95893	1.1
97.02853	2.2
99.00790	0.4
101.02322	2.9
106.97968	3.3
122.97468	6.0
125.02357	3.5
125.09672	0.5
127.03956	0.7
134.97493	5.3
136.99057	1.2
137.02353	0.7
148.99051	6.0
152.98526	6.9
152.99532	1.5
164.98538	11.4
167.00108	0.9
182.99666	2.7
206.99641	3.6
209.11763	1.3
225.00700	18.7
226.01105	0.6
241.01213	0.5
243.01678	2.2
291.19839	0.8
299.04495	2.8
413.10443	0.4
413.43506	0.4
416.15991	0.4
533.27203	0.5
557.96167	0.4
607.24292	100.0
608.24713	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	607.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00483	3.0
59.01253	83.9
71.01260	56.6
71.29440	5.7
72.99186	5.6
77.09741	2.9
78.95786	25.8
83.49268	2.6
85.02821	17.2
89.02319	54.4
93.03358	5.4
95.01271	4.1
96.95938	6.4
101.02325	23.4
113.02336	21.3
119.03485	18.9
119.04919	74.0
121.02858	25.3
128.03493	3.9
130.04140	2.9
131.04955	13.6
135.04417	4.2
143.03453	3.1
143.04869	3.6
146.03659	6.9
147.04430	100.0
148.04765	3.1
152.99501	13.0
161.04471	2.8
171.07712	3.2
179.05544	10.5
209.11877	4.1
223.07329	4.0
237.28020	2.9
243.08174	7.2
249.09189	8.6
251.07224	5.5
259.07574	6.2
261.09265	12.0
267.10214	3.8
279.10251	24.1
280.10782	3.4
349.12323	3.9
361.12491	14.0
367.13461	18.4
373.12460	6.1
379.13339	34.9
380.13818	5.6
391.13269	15.7
397.14429	97.0
398.14761	11.7
409.14426	70.5
410.14630	7.0
415.15521	9.2
427.15515	95.6
428.15839	12.4
445.16455	30.0
571.18915	3.8
589.20996	5.6
607.38318	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	607.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	5.3
61.98725	0.7
69.03314	2.1
69.41238	1.2
69.41637	5.1
71.01257	4.2
75.00744	1.1
78.95775	2.1
79.41735	0.6
85.02820	1.1
87.00716	0.8
89.02296	1.4
93.03326	3.2
95.01293	0.6
96.95877	1.3
98.00024	0.7
101.02318	1.2
113.02322	1.3
119.04890	1.6
120.05179	0.7
121.02848	80.6
122.03178	2.2
131.04973	1.5
143.04953	1.8
145.06494	2.1
147.04436	2.2
149.06000	0.8
167.09065	0.6
173.05934	0.9
195.08124	0.6
205.06564	1.1
210.06764	1.3
223.07619	1.1
231.08142	1.4
233.06046	4.9
235.07509	1.2
236.08374	1.1
237.09177	2.5
239.07010	1.3
249.09161	3.6
251.07117	17.8
252.07678	1.6
255.08051	1.1
259.07666	1.0
267.09998	0.9
268.07388	1.6
269.08090	3.6
273.09274	1.4
279.10187	0.8
291.10315	1.3
303.10269	0.7
305.11780	1.1
349.12360	5.3
355.13416	5.9
361.12112	0.8
366.12509	3.0
367.13376	24.9
367.18042	1.2
368.13766	2.5
379.13361	2.9
385.14319	1.5
397.14474	6.0
409.14432	1.5
415.15518	21.3
416.15762	1.8
427.15497	100.0
428.15875	13.6
445.16583	72.3
446.16980	9.9
589.20575	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	607.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97741	0.8
51.94580	0.8
59.01254	4.1
69.03322	1.4
69.70668	0.9
71.01267	3.0
78.95775	5.0
85.02818	1.4
87.00745	1.3
89.02337	1.2
93.03355	11.0
98.20615	1.2
100.65782	0.9
101.02317	1.9
102.88788	0.8
111.28503	0.8
113.02311	1.2
119.03490	1.0
119.04944	2.1
121.02850	69.4
122.03157	2.1
124.16262	0.9
128.03418	0.8
130.04155	1.4
131.04947	2.0
134.03661	1.1
135.04399	1.0
143.04893	2.6
145.02824	1.2
145.06511	2.6
146.03621	6.3
147.04416	3.6
147.08051	2.5
152.99478	2.4
156.05731	1.5
156.82220	0.9
157.06526	3.0
159.04465	1.0
160.05214	6.7
161.05969	1.5
173.05984	1.2
175.07574	4.7
211.07504	2.0
223.07697	4.8
236.08377	3.0
237.09142	4.0
239.07106	29.8
240.07408	2.2
247.07678	1.0
249.05586	1.7
249.09181	3.8
250.76808	0.9
251.07126	33.2
251.10922	1.5
252.07460	3.4
259.07666	1.3
259.38522	0.9
261.09265	4.2
262.10046	1.3
263.10672	1.4
273.09183	1.6
277.08792	1.9
278.09525	1.5
279.10239	7.0
286.59335	1.0
290.09271	1.0
291.10251	8.5
292.10272	1.2
339.12564	1.0
354.12576	3.8
355.13367	11.3
356.13889	1.3
366.12552	1.5
367.13397	33.1
368.13821	4.2
369.14679	1.0
379.13315	6.2
380.14038	1.2
385.14459	26.6
386.14725	3.4
397.14481	16.6
398.14508	1.4
409.14343	1.4
415.15518	80.9
416.15924	10.7
427.15506	100.0
428.15900	11.8
445.16510	7.4
498.32733	1.0
547.38556	3.5
573.34680	0.9
577.20819	4.0
578.20868	1.0
589.20844	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	606.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57081	0.4
59.01252	20.2
60.60132	0.4
69.48626	3.9
73.29497	0.4
74.11095	0.4
77.91341	0.5
78.95781	24.6
82.51892	0.4
84.52368	0.4
87.24879	0.4
98.20515	0.9
102.23873	0.5
122.98413	1.0
152.99492	3.6
168.04260	3.7
171.10185	1.5
194.58417	0.5
224.06895	8.8
242.07922	2.8
255.23257	0.7
307.26434	100.0
308.26804	8.8
454.78552	0.5
514.51184	0.5
532.34100	59.5
533.34503	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	607.1672
Annotation	Diosmin 
Peak:m/z	Relative Intensity
53.24449	0.3
58.65936	0.3
64.99924	0.3
65.00224	0.4
69.49935	0.4
69.50266	2.5
71.73785	0.3
80.96910	0.3
92.95483	0.3
93.03313	0.9
94.07359	0.3
109.99961	1.8
111.51763	0.3
120.25292	0.4
133.99995	0.7
136.98703	0.8
161.99510	0.5
165.01851	1.5
170.19894	0.3
183.04443	1.1
187.03874	0.4
202.15883	0.3
205.40002	0.3
211.03947	2.1
212.04561	0.6
227.03436	15.8
228.04094	2.5
239.03355	0.3
243.06636	1.5
251.17371	0.3
251.20845	0.3
255.02968	46.5
256.03607	7.5
257.03983	0.5
271.06134	1.4
283.02466	61.2
284.03201	28.6
284.06555	0.7
285.03650	1.7
297.04208	0.4
298.04819	38.8
299.05588	100.0
300.05945	8.0
309.63995	0.3
341.06589	1.3
351.63950	0.3
431.40378	0.4
567.35693	0.4
607.16669	86.6
608.17078	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	606.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53569	1.6
69.63861	13.0
69.65244	1.6
78.95774	17.1
89.40627	2.0
90.41375	1.5
98.19736	2.0
105.49734	1.7
112.95997	1.7
127.11151	1.8
139.40210	1.8
140.01085	3.0
152.99467	3.0
153.09254	2.0
171.10178	100.0
172.10539	3.1
190.64111	1.5
193.91379	1.6
196.03728	2.3
223.46677	1.7
255.23247	37.7
256.23535	2.9
265.75723	1.9
306.24362	1.6
324.84448	1.7
334.91281	2.2
336.42035	1.8
452.27823	3.9
606.37787	12.9
607.38208	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	606.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.2
57.03328	1.4
59.01253	21.3
61.98696	0.7
65.03838	22.3
69.03345	0.6
69.50152	4.7
71.01253	0.9
71.04894	11.7
78.95777	41.0
79.95619	0.9
80.96384	1.9
83.04884	1.0
93.03332	0.7
95.04930	0.8
96.96862	0.8
97.06473	19.0
98.19785	0.8
99.10789	0.7
101.58068	0.6
119.08565	3.2
119.45634	0.6
121.06494	24.6
122.06851	0.9
122.98405	3.6
123.08015	1.0
124.60027	0.6
125.09619	14.3
152.99495	7.3
155.03860	0.7
163.11111	0.7
164.08426	0.8
168.04222	6.2
185.10202	1.2
185.11777	19.3
209.11755	9.3
211.13329	10.2
212.13698	0.8
215.87378	0.6
224.06898	11.8
233.15450	1.0
235.13353	19.0
242.07985	3.4
249.14986	1.1
289.18045	4.5
307.19199	13.4
308.19534	0.9
321.20679	1.1
446.93268	0.6
461.19382	1.4
532.26819	100.0
533.27051	11.0
546.28430	2.9
607.24133	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	606.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.4
58.00461	3.1
59.01253	48.5
59.70528	1.4
60.01566	1.6
60.99176	12.5
69.49688	10.4
70.02845	5.4
71.01255	29.3
72.99172	3.2
73.30530	1.5
78.95782	14.1
83.01260	3.4
85.02824	5.4
87.00756	4.9
88.00269	3.4
88.98682	100.0
89.02320	51.1
89.99010	1.6
95.01261	3.5
96.95940	1.5
97.16851	1.4
98.02361	17.0
98.19859	2.4
98.45351	1.3
98.98082	1.3
101.02331	29.4
104.93288	1.3
110.05971	1.5
113.02338	14.8
119.03405	17.9
131.03394	2.0
143.03372	1.9
149.04463	1.9
152.99480	13.3
153.99791	2.3
156.19794	1.2
161.04475	2.7
176.51241	1.4
179.05566	8.3
180.89729	2.5
201.94438	1.2
225.22162	7.8
253.21820	1.4
260.53549	1.3
270.24063	1.4
271.22809	3.2
277.21655	5.9
278.22098	2.2
324.25427	24.6
325.25909	1.8
326.27045	27.7
382.29645	2.5
390.26526	7.5
400.30734	3.5
502.29825	2.1
562.36029	24.2
563.36493	3.3
606.19049	2.2
606.37000	11.6
607.37750	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	606.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37693	0.6
56.02471	0.5
59.01243	2.3
60.99177	14.3
62.03453	0.5
69.63420	0.5
71.01258	0.9
71.57568	0.7
71.57953	0.6
78.95776	15.8
80.89860	0.5
87.00760	4.6
88.00278	5.1
88.01110	0.7
88.98679	100.0
89.02317	28.4
89.98991	0.8
96.96872	0.9
98.02360	1.7
101.02333	1.4
105.18196	0.6
121.99998	0.6
140.01077	2.4
152.99500	9.5
165.12743	1.1
196.03749	5.0
208.60733	0.6
214.04889	0.7
268.05890	3.0
272.18951	0.5
275.20062	0.6
277.21729	28.7
278.22070	3.0
291.19687	3.7
291.22577	0.6
292.20050	1.6
313.17886	0.8
324.25430	2.2
431.21671	1.0
457.24142	0.6
474.26294	17.4
475.26660	2.3
502.29340	1.3
516.27411	1.6
542.75562	0.7
606.29993	6.0
607.30969	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	1.6
57.03311	1.2
59.01252	21.6
65.03835	27.9
66.04176	1.0
67.01780	0.8
67.53827	0.7
69.45229	1.8
69.45641	4.8
71.04894	13.6
78.95776	17.8
80.96398	2.2
83.04875	1.0
94.98000	0.8
96.70028	0.9
97.06472	27.7
97.07109	1.4
119.08540	4.5
121.02808	1.3
121.06481	39.2
122.06818	1.3
122.98421	1.2
123.08018	2.8
125.09620	23.7
137.09622	1.0
141.12715	0.9
141.61722	0.8
141.72539	0.8
152.99506	6.5
164.08197	0.8
168.04228	3.9
175.74475	0.8
185.11754	34.1
186.12119	1.5
209.11772	16.6
211.13345	15.2
224.06873	2.0
235.13354	35.5
236.13713	2.1
242.07954	7.0
249.14992	1.2
267.97534	0.9
269.08112	1.3
287.25323	0.8
289.18094	9.2
290.18433	1.1
295.76254	0.9
307.19147	37.7
308.19522	2.9
321.20734	3.2
445.16437	2.4
461.19171	1.5
532.26794	100.0
533.27100	12.5
546.28442	3.8
607.24554	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	606.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.9
56.10203	1.7
57.03328	4.8
59.01252	50.2
61.98691	4.5
71.01257	4.2
71.50086	2.6
71.50404	2.0
72.43374	1.9
78.95779	60.5
81.03320	3.7
83.01260	5.4
83.04903	3.9
93.03334	2.3
96.95895	13.7
96.96848	3.5
97.06476	8.2
100.80328	2.0
101.63081	1.9
105.84912	2.3
109.06437	2.7
119.04970	2.5
121.02881	5.3
122.98412	3.0
123.04414	2.7
123.08058	2.6
125.09627	10.2
136.05222	2.5
137.05925	1.9
137.09613	6.2
145.02866	2.2
147.04453	3.9
147.11734	2.0
149.05962	2.0
152.99493	38.0
163.07494	2.7
163.11232	10.0
165.12767	4.8
168.04221	6.7
181.12277	4.4
183.13815	2.4
185.11772	10.2
191.10774	5.1
191.14368	9.0
195.00089	1.8
195.13870	3.5
207.10228	4.7
209.11778	54.6
213.14919	20.8
223.13290	3.6
224.06854	4.4
225.11212	3.6
237.11298	5.0
241.01154	3.0
242.08023	11.2
245.19069	18.2
271.17050	2.8
276.48413	2.2
289.18109	54.0
290.18546	4.6
291.19714	6.2
307.15710	3.2
307.19156	50.9
308.19510	2.4
312.34720	2.2
315.04980	2.2
321.20673	13.7
445.19839	6.4
532.26801	100.0
533.19708	3.2
533.26874	12.5
546.28528	8.0
581.18549	2.9
589.18835	3.0
606.34027	6.7
607.25818	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	606.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04486	1.0
59.01243	2.8
71.01284	1.1
78.95780	29.4
83.99770	1.1
96.96855	2.1
111.59756	1.1
122.00014	10.5
133.33717	1.2
140.01109	4.8
152.99500	37.4
191.61873	1.1
196.03763	16.7
214.04831	3.2
238.05014	1.9
265.03516	1.1
268.05927	15.1
277.21732	100.0
278.22168	6.2
474.26205	37.2
475.26620	4.0
516.27124	4.7
606.30212	27.4
607.30798	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	606.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89709	0.3
57.03344	0.4
59.01252	1.5
71.01247	1.5
71.57854	0.4
72.00777	1.2
72.99180	20.1
75.00744	17.3
82.04736	0.3
83.01273	0.4
85.02812	1.7
86.02345	1.1
87.00754	0.6
89.02321	0.7
96.95870	0.6
107.01276	0.3
111.00730	0.6
113.02332	1.0
121.02892	0.4
123.04410	0.9
135.04369	0.5
143.04544	0.5
147.06531	100.0
148.06862	2.8
149.05960	0.7
151.00291	0.5
158.03574	0.5
161.02272	0.5
177.05519	0.5
186.03166	0.6
187.03967	0.4
189.05545	0.5
191.01921	0.5
191.03513	1.2
193.04813	0.3
199.03957	0.4
206.99541	0.3
208.06061	3.3
209.02968	0.5
209.11775	1.0
211.03876	0.5
212.99971	0.3
213.05656	0.4
214.02586	0.9
222.07655	0.9
227.03442	0.6
229.04933	0.7
236.09181	0.6
241.01402	5.1
242.02170	1.1
243.02945	0.7
245.00897	2.3
250.07246	1.1
255.03038	0.7
257.04654	0.7
264.08920	0.6
265.10776	0.6
270.01682	3.7
271.02460	2.4
285.04034	8.4
292.08279	1.4
298.01215	1.3
299.01953	5.3
300.02673	0.6
300.95233	0.3
301.03448	0.5
321.08426	0.8
341.02948	0.5
352.10449	3.2
445.17145	0.8
475.44281	0.4
476.15503	0.5
534.16229	1.4
606.12128	0.8
606.21936	15.8
607.13019	5.9
607.22333	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	606.11
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	6.3
59.01235	16.2
59.64019	5.6
65.00200	7.2
65.99714	7.9
71.01246	13.6
73.02821	17.3
75.10251	5.2
75.76033	6.2
83.01273	10.3
85.02816	15.6
99.26168	5.2
107.01302	13.0
109.02816	26.1
109.45834	6.5
110.25974	5.8
117.41622	6.5
121.02869	11.3
125.02301	8.5
130.98564	4.8
134.02336	10.0
135.04367	7.5
137.02335	17.1
142.68500	5.2
146.02318	6.7
147.00725	6.4
148.01563	26.4
149.02361	17.3
151.00258	23.6
151.03835	7.3
160.00375	8.0
161.02385	9.1
162.01846	17.8
163.00244	15.3
163.67799	5.0
164.03403	9.3
167.26457	5.8
175.00305	15.1
175.03944	5.7
176.00984	6.4
177.01833	95.5
178.99797	7.7
179.03484	10.9
186.01898	15.0
190.01361	8.4
191.02069	27.7
202.01361	8.6
202.99831	26.0
204.02946	97.4
208.02347	9.2
209.11865	11.9
214.01471	6.5
227.03320	6.0
230.00854	51.9
268.02402	8.4
269.00900	17.1
271.02338	25.9
285.03912	7.6
286.03613	16.9
294.04010	11.2
299.02026	15.6
300.02634	8.4
301.03467	6.6
312.01779	7.1
313.03439	14.2
315.04019	7.6
316.02011	8.2
322.03699	11.9
339.03830	11.7
340.00916	44.2
340.04648	31.6
341.01733	14.9
342.02313	7.5
356.04471	5.6
357.04910	50.0
358.05533	24.2
376.82150	6.1
397.07788	8.0
406.63019	5.8
426.10422	70.9
427.11002	7.3
452.08246	78.4
453.09009	6.6
504.09015	6.0
544.10907	16.9
562.11926	100.0
563.12024	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	605.333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03354	0.8
57.87975	0.8
59.01248	100.0
62.46905	0.6
64.24110	0.9
68.02419	0.9
71.57961	1.3
78.95782	2.2
79.17907	0.8
80.96389	1.2
95.04895	3.1
97.94213	0.8
103.46158	0.8
112.77482	0.7
123.04408	65.1
124.04736	1.7
158.45238	0.8
173.78166	0.9
173.83624	0.9
173.95108	0.8
195.13878	1.1
213.87245	0.8
277.21564	1.6
290.93204	0.9
443.66940	0.9
553.75262	0.9
599.47870	0.8
605.37488	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61102	0.3
59.01234	0.9
61.15948	0.2
61.98693	0.4
67.57863	0.2
78.95773	0.4
79.99735	0.3
81.68022	0.3
93.03331	4.9
95.04904	0.4
97.06450	0.5
98.20316	1.8
98.73117	0.2
106.04082	0.4
113.05891	0.3
125.05977	0.6
127.11163	0.3
141.09102	0.6
148.08836	1.5
149.09662	0.3
149.19923	0.3
150.10397	1.6
151.11165	0.7
163.11185	0.9
165.12758	26.7
166.13095	1.2
175.11215	0.8
176.11987	0.9
177.12834	0.5
183.60052	0.3
191.14287	1.2
217.15939	0.5
244.10757	7.3
244.13148	0.6
247.20645	13.0
248.20981	0.8
273.18600	8.0
274.18973	0.8
291.19650	100.0
292.20013	7.1
292.23245	0.5
295.16687	0.5
313.17850	24.1
314.18204	1.9
317.24518	0.3
354.54785	0.3
449.51099	0.3
536.82440	0.3
547.28638	0.3
605.38226	28.0
606.38513	4.7
606.47961	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04612	3.5
57.03310	8.4
59.01249	100.0
61.98693	4.0
62.79766	3.6
71.01253	59.7
71.58020	4.4
72.99175	10.4
73.02812	15.6
75.00752	18.1
78.95767	10.1
80.96381	13.8
83.01245	7.1
85.02819	50.3
87.00732	7.2
89.02324	25.5
95.01272	4.8
96.95881	37.0
97.02769	3.3
99.00727	4.4
101.02323	35.0
110.89622	3.2
111.00794	5.5
113.02335	25.0
119.03387	6.5
125.02357	8.0
129.01831	5.6
133.04941	15.9
143.03354	6.2
152.07060	5.3
159.10138	10.9
161.04431	9.6
171.10193	8.5
173.00786	5.2
180.90587	3.9
191.01845	9.5
201.11252	4.6
209.11710	11.5
227.12726	6.4
253.09297	9.9
272.08774	6.8
291.19684	7.6
295.44254	4.0
296.55988	3.6
309.20673	20.3
345.18146	3.9
501.30630	60.0
502.30905	5.8
519.31787	10.9
545.29468	15.1
563.30652	15.9
574.25684	4.5
605.22620	12.0
605.31744	5.0
606.23248	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	605.2407
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
59.01247	0.8
69.72018	1.4
69.72433	3.4
78.95763	0.7
98.19795	1.4
109.26646	0.6
126.82832	0.7
126.99510	1.4
133.00243	0.8
171.10156	2.2
205.23540	0.7
395.50433	0.9
430.18158	1.0
457.20502	1.5
459.18405	2.7
471.18402	1.5
472.18744	1.2
473.19885	4.7
485.18951	1.5
485.24130	1.3
486.20673	3.9
487.20670	0.9
496.18842	1.2
499.18042	2.2
501.23596	3.3
511.21606	2.8
513.19354	2.9
514.20111	9.1
515.20490	1.4
518.19617	1.7
528.21802	1.5
529.22437	100.0
530.22784	20.0
532.21185	1.9
533.21948	3.2
605.23987	1.4
605.43677	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	605.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02848	5.2
59.01237	1.2
63.52887	1.2
69.57278	3.5
69.57700	4.5
71.01263	1.6
71.02356	1.0
73.03961	5.6
73.40344	1.0
74.02345	2.8
78.35061	1.1
78.95785	3.5
82.02872	1.6
82.06514	2.2
83.06056	1.3
84.04422	4.7
85.03929	1.8
87.05525	7.1
88.03886	1.4
96.95841	1.2
97.03957	1.8
98.02386	1.3
99.01865	1.9
99.05498	1.2
101.07063	6.8
104.64091	1.4
109.03978	9.5
110.02355	4.5
111.01873	1.6
111.05517	1.4
112.03918	3.3
113.03480	1.7
125.03465	3.0
126.06624	26.4
126.07549	1.3
127.05029	29.9
128.03423	13.9
129.06601	10.2
129.10228	5.6
130.08601	1.8
135.04445	1.5
138.06647	1.7
138.34157	1.3
140.07039	4.2
140.68208	1.2
141.06602	1.5
144.07693	61.8
145.06093	44.6
145.07930	2.1
155.08162	5.4
167.08150	2.4
168.07701	31.5
169.06056	1.6
180.07765	1.5
183.06313	1.4
185.07106	2.6
186.08775	50.0
187.09135	1.8
196.07048	1.5
196.14520	7.1
198.08734	3.3
212.13982	1.7
214.15567	3.0
216.09862	4.6
216.13742	1.6
239.12561	1.3
240.13588	5.8
242.11914	6.9
258.14532	4.9
259.14447	2.3
270.02545	1.2
306.07782	1.4
315.14697	1.8
326.18689	4.4
333.15619	1.4
343.21304	1.5
344.19803	7.2
361.22519	1.8
474.23734	2.2
557.27301	4.7
575.28345	76.7
576.28528	10.8
587.28436	13.5
588.29047	1.9
605.29425	100.0
606.29797	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40964	1.1
57.03315	2.0
59.01245	7.2
71.01249	26.8
71.56351	1.6
71.62949	1.4
73.02810	2.6
78.95763	4.0
83.01226	2.7
85.02822	16.7
85.99960	1.1
87.00747	8.9
89.02299	5.2
95.01237	2.0
96.95896	1.2
97.02854	1.3
101.02319	4.4
106.41448	1.1
111.00767	2.5
113.02335	21.2
131.03394	1.7
137.57790	1.0
150.34744	1.1
151.06020	17.3
173.04457	6.7
201.04004	2.1
209.04581	1.2
265.09177	2.2
317.08572	1.9
384.98450	1.9
415.14740	1.9
439.73563	1.1
573.16760	3.2
605.19293	100.0
606.08276	2.4
606.19641	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	605.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	1.1
57.03316	1.2
57.90841	0.7
58.00457	2.6
59.01249	69.6
59.94168	0.7
69.54568	4.5
71.01250	52.6
71.23123	0.6
72.01569	0.9
72.99179	5.3
73.02813	2.3
83.01264	1.6
85.02818	10.2
87.00751	2.0
89.02315	54.7
90.02660	1.1
95.01247	3.8
99.00733	0.8
101.02321	27.2
107.99222	0.6
113.02326	19.3
115.03909	3.9
119.02562	1.2
119.03388	19.9
121.36801	0.7
123.04402	1.8
129.55333	0.6
131.03378	2.7
133.04939	1.6
143.03378	3.2
149.04395	1.6
157.05035	1.0
161.04453	3.0
167.80110	0.6
179.05527	6.6
184.18280	0.6
195.28482	0.6
237.32086	0.7
277.09497	1.0
295.10315	15.7
319.10297	1.8
337.11386	100.0
338.11725	8.1
339.05573	0.7
562.26874	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	1.3
71.01275	0.9
71.57160	0.4
85.02825	3.9
87.00775	0.5
96.95887	1.2
97.32312	0.5
105.01821	1.2
111.00747	1.7
119.04862	0.4
121.02886	0.5
121.43932	0.4
129.01833	0.8
132.02055	1.3
133.02849	27.0
134.03630	38.8
135.04359	3.1
137.02321	2.7
139.03859	0.9
147.02953	0.6
149.05974	15.0
150.06329	1.3
160.01489	0.6
161.02344	100.0
162.02716	4.3
163.03961	0.5
175.03947	0.5
178.02617	12.4
179.03235	1.5
191.01878	1.5
193.04984	78.2
194.05325	3.8
205.04987	11.8
209.02992	1.4
218.74380	0.4
235.63492	0.5
244.35614	0.5
249.03711	0.5
267.05148	0.7
281.06638	8.1
294.98685	0.4
297.07529	0.7
297.73978	0.5
309.07678	1.6
312.10049	1.2
327.12317	2.0
339.12402	1.2
355.10303	11.3
356.10712	0.6
381.15363	0.4
443.11356	14.9
444.11496	1.3
605.14990	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	605.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17462	3.8
57.03325	4.2
59.01240	11.2
69.93401	15.0
71.01247	4.8
74.98104	3.7
85.02819	32.1
87.88309	3.7
96.95876	13.2
101.02289	7.6
103.50500	4.7
111.00747	13.9
121.02841	7.4
129.01813	7.5
133.02765	5.7
134.03618	21.8
135.04448	5.6
137.02336	6.9
147.02873	4.4
147.04468	4.1
149.05991	6.0
161.02341	15.8
175.03928	8.8
178.02576	11.0
189.64169	4.2
191.01860	12.5
193.04979	42.2
205.04938	4.1
209.02953	13.6
267.06387	5.4
269.08133	8.2
281.08365	5.2
297.07703	32.8
309.07806	35.9
309.11072	6.4
312.10004	23.9
323.09082	11.7
324.09955	22.3
327.08716	8.2
327.12363	100.0
328.12625	5.9
339.12347	68.5
340.12677	8.8
355.10370	7.8
443.11813	18.4
539.22888	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	604.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62054	0.3
55.33068	0.3
58.07330	0.4
59.01249	1.3
70.91656	1.1
71.01247	0.7
74.47758	0.4
78.95778	44.1
87.00754	1.5
96.95885	2.8
96.96841	5.0
115.92033	0.3
116.72078	0.4
140.01097	1.3
145.14751	0.3
150.97906	1.6
152.99493	100.0
153.99881	1.0
171.00571	1.0
196.03760	0.6
214.04810	1.7
277.21722	18.2
278.22070	1.6
282.11224	0.5
326.10101	17.6
327.10339	0.8
344.11261	0.6
431.22064	1.1
474.26163	3.2
488.03162	0.4
544.30328	0.9
604.32574	25.8
605.32574	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	604.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02858	7.0
72.00757	1.2
73.10007	1.0
74.02347	17.2
78.95797	2.3
82.02859	1.2
86.02351	7.4
86.05986	2.0
86.98991	1.6
87.05508	4.3
90.00050	1.3
93.03290	1.2
95.23575	0.9
97.03938	2.6
99.05522	16.7
101.07074	1.8
102.05491	2.5
109.03962	3.0
112.03958	1.7
113.03458	1.4
116.01629	1.2
118.72549	1.1
121.99330	1.1
123.05546	1.2
124.03951	1.6
125.03465	2.9
127.05062	2.5
128.03429	40.7
129.03787	1.3
135.05522	3.4
137.07155	1.2
141.06569	3.5
142.65248	1.0
143.04529	52.1
145.06068	2.0
146.04509	5.5
147.79102	1.0
153.06622	3.3
160.00653	15.3
166.09784	2.5
167.04521	4.3
167.08176	2.9
171.04181	1.2
177.03323	7.3
179.04546	13.3
181.06171	1.5
185.05608	2.3
192.07811	1.2
197.05629	1.7
210.08762	10.1
229.73972	1.3
254.07808	20.5
255.08191	1.6
267.10168	1.3
272.08887	30.2
279.10275	2.1
288.06595	12.0
306.07654	100.0
307.07870	5.5
374.79596	1.2
453.66464	1.3
604.19489	13.1
605.19739	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	604.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22571	1.5
58.02860	9.9
68.78047	1.5
69.55787	4.1
69.56190	9.6
74.02346	14.8
86.02350	5.6
86.06007	1.6
86.98981	1.9
87.05479	2.0
90.00099	1.9
96.36600	1.7
97.03932	1.5
98.19707	2.0
99.05504	12.3
102.05574	2.0
106.18571	1.5
109.03963	2.7
115.30978	1.5
123.05553	2.1
127.05117	2.1
128.03427	35.4
135.05527	2.6
141.06584	2.7
141.76747	1.7
143.04532	45.0
146.04445	6.5
152.99442	2.4
153.06560	3.1
160.00653	13.7
167.04500	2.7
177.03278	6.6
179.04550	9.8
181.06186	1.8
185.05647	1.8
210.08833	8.4
234.92461	1.7
242.07555	2.1
254.07834	13.3
272.08902	20.3
288.06674	8.9
306.07663	100.0
307.07892	4.9
323.98260	1.9
437.99545	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	603.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70231	0.5
55.01738	0.8
59.01254	10.1
71.01254	20.5
71.15956	1.4
73.02811	1.9
78.95778	3.5
79.04676	0.6
83.01257	1.6
85.02831	3.8
85.83575	0.6
89.02315	5.2
95.01328	0.7
99.00777	1.3
101.02326	8.1
109.85340	0.7
113.02341	4.1
118.00391	0.5
119.03385	1.9
120.05688	1.0
121.06474	1.0
127.83495	0.6
133.06493	1.7
134.20883	0.6
135.08051	0.7
151.07561	1.6
151.51443	0.7
161.04449	1.6
161.92688	0.6
169.08624	4.8
205.91235	0.6
223.09628	2.9
261.22235	2.1
272.21341	0.8
287.23666	0.7
289.25375	100.0
290.25726	9.1
307.26639	0.9
311.21997	0.9
313.12924	7.9
323.08429	0.6
331.26535	0.9
346.44592	0.6
348.32413	0.6
441.33817	0.7
455.95303	0.7
600.08868	0.7
603.39038	48.7
604.39349	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	603.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	2.2
56.88242	2.1
59.01254	71.2
69.93331	13.7
71.01257	56.0
71.04897	4.2
72.99174	11.1
78.95781	11.4
83.01262	3.3
85.02837	10.7
87.00768	3.9
89.02321	45.1
93.03314	2.9
98.20554	2.6
101.02325	29.6
113.02338	15.9
114.13447	2.2
119.03412	25.0
119.08601	2.5
131.03419	4.3
143.03384	3.0
147.04433	48.3
149.05994	4.7
152.99471	4.2
159.08092	2.4
178.06361	2.2
179.05544	7.9
207.08101	2.6
209.09541	3.3
291.17355	3.9
292.20633	4.8
321.22275	8.1
347.20270	9.3
348.20184	3.0
361.25232	8.9
365.21231	99.6
366.21573	12.7
379.26334	3.4
379.86227	3.0
387.23444	5.7
405.24365	70.0
406.24701	6.6
423.25412	100.0
424.25818	10.6
443.22339	2.6
603.32068	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	603.302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28150	1.6
59.01252	36.6
61.98702	1.7
69.64732	9.3
71.01268	11.2
72.99180	3.6
73.02827	3.1
75.00738	2.1
78.95789	4.3
81.03306	1.9
83.01281	2.7
83.04917	2.4
84.26205	1.7
85.02831	11.8
87.00723	2.4
89.02328	9.0
90.26406	1.6
92.67790	1.4
95.04900	2.4
96.95887	9.2
97.02811	3.2
97.06469	4.0
97.90359	1.4
98.19872	2.8
101.02316	11.9
111.00757	7.3
113.02321	8.7
119.03348	3.1
123.04433	2.6
125.09608	7.3
126.99447	1.8
129.23076	1.5
135.07973	1.7
137.09608	3.8
143.03459	1.6
146.08061	2.1
152.82846	1.4
159.10167	1.9
161.04469	2.5
163.11179	5.7
169.12267	2.6
171.10152	8.4
173.00885	2.8
181.12355	2.2
185.11755	6.5
191.01855	1.8
191.14351	7.4
207.10208	4.5
209.11755	17.5
211.13350	5.0
213.11278	2.2
225.11380	1.6
227.12711	2.0
237.11426	2.1
244.20390	1.6
245.19063	13.8
253.09282	33.2
271.17072	2.5
272.90875	1.8
277.12360	4.5
289.18103	100.0
290.18442	9.5
295.22934	3.4
307.19138	72.4
308.19458	9.5
309.10193	2.3
325.20120	3.6
369.12387	4.2
441.03363	1.9
449.20074	2.0
521.24353	5.2
543.27893	2.0
559.25562	2.0
603.30194	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	603.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70252	2.0
51.71398	1.5
52.06139	1.6
55.25254	1.4
55.40492	1.7
57.03321	1.6
59.01250	41.5
69.28612	2.5
69.29015	15.2
71.01249	12.7
72.99171	1.7
73.02792	2.1
75.00702	1.6
78.95717	1.9
81.03323	3.6
83.01256	4.8
83.04872	2.6
85.02815	5.4
87.00748	2.1
89.02314	10.4
95.11185	1.9
97.02817	2.1
97.06450	4.6
98.19704	3.7
98.20351	7.8
101.02322	12.9
101.34875	1.6
108.53363	1.8
109.06470	2.0
111.00770	3.2
113.02300	4.1
118.24233	1.8
119.03409	4.0
123.04430	2.3
123.98813	2.0
125.09607	5.3
135.08096	2.2
137.09604	4.9
155.72882	1.6
156.36490	1.7
159.67023	1.7
161.04457	7.1
163.11220	9.7
165.12668	2.1
171.10150	4.2
173.00847	2.0
179.05583	2.9
182.46692	1.7
185.11789	9.7
190.54764	1.7
191.14319	11.0
196.53528	1.7
207.10185	4.1
209.11749	27.9
211.13347	2.3
213.14980	2.2
217.15962	3.1
225.11281	5.0
237.11261	6.9
245.19063	19.6
246.19446	2.3
253.09262	40.2
254.09744	2.5
263.20016	5.3
289.18076	100.0
290.18481	8.9
307.19153	99.5
308.19485	9.4
334.70529	1.8
387.41080	1.8
543.28235	4.3
569.84882	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	603.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.1
57.03309	2.9
58.43829	1.2
59.01250	48.7
59.85048	1.2
61.98691	2.4
70.59177	4.6
71.01257	10.2
72.99187	2.5
73.02813	1.7
75.00752	2.9
81.03328	3.0
83.01257	3.6
85.02831	7.6
87.00768	2.9
89.02322	8.7
95.04922	2.3
97.02843	2.8
97.06455	5.5
98.19856	1.4
101.02316	11.0
104.62625	1.5
109.06473	2.0
111.00782	4.8
113.02354	6.8
119.03363	2.8
123.04372	3.2
123.08061	1.6
125.09656	7.3
135.08084	1.7
137.09599	4.7
161.04465	4.5
163.11211	9.6
165.12798	1.9
169.12355	1.9
171.10185	8.6
173.00934	1.9
179.05498	1.6
185.11781	8.3
188.60602	1.3
191.14357	9.1
193.12352	1.6
207.10158	5.1
209.11751	28.2
210.12053	1.7
211.13257	4.1
223.13379	1.8
225.11263	5.6
226.11952	1.3
237.11278	5.0
245.19067	16.3
246.19400	1.7
253.09280	42.2
254.09737	2.1
263.20193	5.4
271.17026	2.4
289.18094	100.0
290.18356	8.2
307.19147	89.4
308.19485	8.1
329.78345	1.5
501.45102	1.4
543.27234	1.7
559.25909	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	2.4
62.04752	1.1
71.01260	2.6
71.57961	1.3
71.58345	1.3
78.95786	5.6
87.00754	100.0
88.00283	7.6
88.01100	1.9
89.02335	1.4
101.02310	2.0
101.56452	1.2
130.91957	1.1
131.98253	1.0
149.36017	1.3
152.99574	5.6
171.10222	2.0
189.28593	1.1
277.21762	8.1
353.58264	1.2
462.79260	1.3
601.37506	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	601.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05551	0.7
59.01246	3.8
70.60264	0.7
70.60613	2.5
71.01254	20.6
73.02784	0.9
78.95782	1.5
83.01266	0.9
85.02814	3.2
89.02331	1.6
96.36331	0.9
101.02305	3.9
112.20839	0.9
113.02316	3.6
120.05697	0.9
123.08024	2.8
125.09599	2.1
132.05687	2.7
133.06464	3.3
133.51003	0.8
139.56425	0.8
147.08092	4.4
151.07585	1.8
152.99519	1.1
153.50043	0.8
169.08624	4.2
203.31456	0.8
223.09686	2.3
269.74377	0.8
287.23804	100.0
288.24109	8.8
309.20685	1.2
313.13037	9.6
314.13367	1.2
601.37427	57.6
602.37744	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	603.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	3.2
59.01250	44.7
61.98703	2.7
71.01257	12.2
71.04904	1.0
71.57153	1.4
72.99168	1.4
73.02814	2.2
74.87302	1.1
75.00763	1.4
78.95788	3.3
81.03329	1.5
83.01263	3.5
83.04934	2.4
85.02817	7.7
87.00746	1.6
89.02318	8.8
95.04913	4.5
96.95861	5.5
97.02823	2.0
97.06474	4.0
101.02315	13.7
101.59849	1.5
109.06496	2.6
111.00761	2.8
111.04388	1.7
111.08069	1.3
113.02325	5.2
113.06013	1.6
116.92813	1.2
119.03386	2.1
121.06439	1.4
123.04382	2.2
123.08076	2.0
125.09579	5.9
128.03426	1.3
135.08044	1.6
137.09584	2.6
151.11168	5.1
161.04474	5.4
163.11179	6.0
167.10703	2.0
169.12253	15.5
171.10159	15.9
172.10670	1.6
173.00891	1.2
179.05562	1.9
183.01056	1.5
183.13853	1.5
185.11757	6.7
191.14412	6.1
195.13916	1.3
197.02635	1.7
207.10205	4.1
209.11769	13.0
211.13350	4.2
212.13788	1.3
213.11250	3.3
225.11281	2.4
237.11264	3.8
245.19051	13.2
253.09273	32.5
264.71722	1.3
271.16992	1.9
289.18094	100.0
290.18433	7.5
294.24323	1.2
295.22876	1.6
307.19144	65.0
308.19507	5.8
449.19980	1.7
493.10953	1.3
543.27887	1.5
559.25543	2.8
603.30212	20.1
604.30426	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	601.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.0
71.01264	1.5
71.15575	0.6
71.15909	1.0
73.02801	0.6
74.42843	0.5
78.95779	63.0
82.96631	0.6
85.02814	0.6
89.02347	1.0
96.95930	12.5
96.96841	100.0
101.02321	1.4
108.36427	0.5
111.38536	0.5
113.02341	2.3
114.50581	0.6
115.97727	0.5
133.04991	0.6
138.97903	3.0
158.77435	0.5
161.04523	2.7
168.98994	1.7
179.05568	1.3
199.00078	2.3
232.51100	0.5
259.02240	26.0
337.54477	0.6
546.26868	0.6
575.93420	0.6
601.13806	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	601.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	15.7
59.41339	0.8
59.61140	0.9
61.98702	1.6
67.92975	1.2
71.01248	8.9
73.02779	1.6
78.95772	3.0
82.01286	1.0
83.01257	1.9
85.02818	5.5
89.02309	6.4
91.44301	1.0
95.04880	1.2
96.95890	9.2
101.02327	7.5
111.00767	1.5
113.02322	5.0
119.03385	2.1
122.06014	1.1
139.03893	6.0
152.99471	1.4
161.04416	3.0
171.10179	25.4
179.05551	1.9
183.13892	1.4
188.63380	1.1
195.13841	9.1
205.16006	1.2
209.11674	1.9
211.13338	20.9
223.13387	5.9
253.06680	2.0
253.09262	37.8
255.03069	1.8
275.20160	9.0
283.02551	1.6
293.21216	100.0
294.21570	9.0
298.04559	1.4
299.05490	2.8
462.52896	1.2
495.65845	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02562	0.8
58.02848	13.3
59.01248	3.2
61.98693	2.2
66.03353	1.0
70.02854	1.2
70.63980	2.3
71.01249	2.0
72.00775	1.3
74.00561	1.0
74.02343	24.8
81.04457	2.4
82.02855	3.7
84.04403	0.9
85.02854	1.9
86.02355	12.0
86.05992	2.0
86.98966	2.2
87.05526	5.1
96.54440	1.0
96.95879	2.1
97.03951	2.9
99.05517	22.1
100.00293	2.6
101.02322	1.1
101.07104	4.0
102.05490	4.1
107.06030	1.3
109.03986	4.4
109.04588	0.8
109.07629	1.9
111.05515	2.2
112.03918	2.7
113.07166	1.0
115.05732	0.9
122.06065	0.8
123.05527	2.0
124.03968	1.3
124.07566	1.0
125.03469	2.7
126.01933	1.0
127.05032	3.5
128.03432	68.9
129.03786	2.1
135.05545	6.6
137.07097	2.0
140.48158	0.7
141.06586	2.1
143.04527	91.6
144.04918	1.7
144.06068	2.4
145.06102	2.7
146.04498	10.1
152.05983	1.1
152.99416	0.9
153.06602	5.6
166.09792	4.0
167.04536	2.5
167.08168	4.5
169.06113	1.4
170.03307	1.3
171.04066	2.0
171.10191	6.9
172.10484	1.2
172.26468	0.7
179.04561	20.5
180.04840	0.8
181.06105	2.3
185.03969	0.7
185.05608	3.0
192.07726	2.1
193.06195	0.9
197.05595	3.9
209.11758	1.6
210.08784	20.9
210.11983	1.0
211.09097	1.1
211.13333	4.6
228.09842	1.8
253.09286	0.7
254.07809	50.9
255.08110	1.9
258.12930	0.9
272.08887	100.0
273.09164	5.6
293.21274	2.0
304.05899	1.1
306.07620	2.4
327.19919	9.0
471.25525	4.7
582.28754	4.5
583.28973	1.1
600.29584	33.6
601.30054	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	599.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43776	0.8
57.38240	0.7
57.38571	0.7
59.00991	0.9
59.01255	10.8
69.93453	0.7
70.14832	3.4
71.01260	6.6
75.00751	3.2
85.02822	2.1
89.02311	9.8
99.74368	0.7
101.02305	5.5
113.02321	3.5
115.03899	0.7
119.03387	3.7
123.04428	1.8
131.03410	1.1
133.01331	0.7
133.04950	4.2
162.88629	0.8
179.05539	1.7
188.30173	0.7
232.96944	0.7
295.10327	100.0
296.10660	5.5
307.92178	0.8
599.17523	9.7
600.17773	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	7.8
69.23226	5.8
71.01253	6.6
72.24049	0.5
75.00719	0.6
85.02812	0.9
89.02314	8.0
98.20557	1.3
101.02312	3.7
113.02339	2.5
115.03864	0.7
119.03400	4.3
120.84431	0.6
123.04417	0.7
133.04938	1.8
139.03693	0.6
179.05510	1.3
187.06058	0.7
200.47763	0.5
277.09448	0.7
295.10327	100.0
296.10629	7.0
563.19824	1.1
599.17523	9.4
600.18103	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	599.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85711	14.2
59.01241	45.6
69.81998	72.9
75.89471	14.2
78.95773	27.0
85.02826	19.0
87.15874	15.5
98.20454	19.6
125.09592	15.8
152.99467	23.5
171.10170	47.8
194.57039	14.7
195.29117	15.3
209.11745	100.0
238.35176	14.6
245.19136	20.6
255.15858	17.1
289.18149	72.8
291.19669	50.2
307.19165	47.4
614.06213	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	598.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34914	0.8
54.34439	0.8
57.03325	1.9
58.02851	12.0
59.01235	3.7
59.63745	0.8
61.98690	1.1
66.03374	1.3
69.26557	0.8
70.35289	0.7
70.87218	2.1
71.01242	2.6
72.00774	2.1
72.97393	2.6
73.02836	0.7
73.48196	0.8
74.02341	26.6
76.56158	0.8
78.95783	1.7
81.04436	2.0
82.02866	4.4
82.10895	0.9
83.04890	1.0
83.13663	0.8
84.04428	1.1
85.02822	9.4
86.02348	11.5
86.05965	2.5
87.00771	1.4
87.05507	4.9
88.03898	1.3
96.04436	1.2
96.95892	1.9
97.03951	2.7
99.05512	20.9
100.00265	2.3
101.02344	1.1
101.07095	5.0
101.32446	0.8
102.05466	5.6
107.06030	1.7
109.03954	5.3
109.07603	1.6
110.02351	1.1
111.05524	2.1
112.03944	2.6
113.04247	0.9
123.05499	2.4
124.03962	1.6
125.03437	3.2
127.05006	2.7
128.03429	66.6
129.03775	2.0
135.05522	6.6
137.07080	1.6
139.66257	0.8
141.06596	3.0
143.04520	95.3
144.04866	1.5
145.06091	4.0
146.04495	8.6
147.02875	1.8
149.07100	1.4
152.99484	1.9
153.06604	3.4
155.08131	1.0
160.00784	1.5
165.12816	1.7
166.09737	4.1
167.04538	3.5
167.08186	4.7
170.03250	2.0
171.03995	1.9
171.10185	17.9
179.04543	22.7
179.06046	1.4
181.06134	2.5
184.10909	1.3
185.05624	2.5
191.01947	4.6
192.07684	1.5
197.05600	3.7
209.11774	13.0
210.08772	19.2
223.13345	0.9
228.09933	2.3
253.09412	1.5
254.07803	49.2
255.08044	2.6
256.11514	1.1
272.08868	100.0
273.09146	6.2
291.19803	2.3
304.06006	1.4
306.07623	1.8
325.18365	5.8
327.21997	1.0
366.47675	1.0
469.23761	4.6
580.26849	5.6
581.29529	1.3
598.28070	31.7
599.28064	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	598.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.2
58.02845	7.7
59.01262	3.2
61.22758	0.5
61.98706	0.9
66.03359	0.9
67.02936	0.6
68.04939	0.6
70.02828	0.5
71.01243	2.2
71.57843	0.7
72.00787	1.2
74.02345	17.6
75.00747	0.6
81.04448	1.5
82.02857	2.1
83.02398	0.6
84.04426	0.6
85.02827	7.9
85.03953	0.8
86.02346	6.0
86.05965	1.7
86.06485	0.5
86.98993	1.4
87.05518	5.1
88.03934	0.8
89.02373	0.5
90.00050	1.5
93.03319	0.7
96.04429	1.0
96.95891	3.5
97.03930	1.6
99.05515	15.4
101.02316	0.7
101.07091	2.8
102.05499	3.6
107.06010	0.9
109.03967	2.4
111.00777	0.9
111.05513	1.2
112.03912	4.0
113.03456	0.6
116.01640	1.2
123.05521	1.8
124.03925	0.9
125.03471	1.7
127.05032	2.9
128.03429	44.1
129.03780	1.3
129.99580	0.8
132.37593	0.5
135.05528	4.3
137.07144	1.4
141.06595	3.7
143.04521	58.3
144.04900	0.9
145.06093	2.7
146.04494	4.4
147.02930	0.8
149.07065	0.6
153.06624	4.3
160.00650	18.4
165.12799	0.7
166.09723	2.9
167.04533	4.1
167.08165	2.2
170.03268	0.9
171.04103	0.8
171.10196	2.5
177.03320	5.9
179.04536	12.1
181.06070	1.7
185.05606	2.1
191.01862	3.0
192.07715	1.3
197.05617	1.9
209.02911	0.9
209.11829	2.0
210.08784	11.3
217.00101	0.7
228.09962	0.8
242.07686	1.1
254.07816	17.9
255.08150	0.9
272.08865	32.6
273.09189	1.0
288.06577	10.3
306.07645	100.0
307.07947	5.4
436.10953	1.1
469.24091	1.0
479.19757	0.9
513.19031	0.9
591.28351	0.6
598.27832	7.7
599.28625	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.4
57.03320	1.8
58.02843	0.6
59.01255	1.9
59.09335	0.2
61.46436	0.2
61.98702	0.3
70.51067	0.4
70.51434	0.8
71.01246	2.3
72.99184	0.5
74.00443	0.2
75.00755	0.4
77.60336	0.2
80.04919	0.2
81.03329	13.3
82.03670	0.3
83.01250	0.5
83.04894	41.5
84.02066	0.4
84.05239	1.0
85.02824	13.1
86.03178	0.3
87.00746	0.4
89.02306	1.5
96.95882	2.1
97.08384	0.2
99.00772	0.3
100.07561	5.9
101.02308	1.1
103.00233	0.3
108.04391	0.4
111.00742	1.2
113.02338	0.4
119.03376	0.4
120.98818	0.2
123.05804	0.2
125.02325	0.5
125.07133	0.3
126.05518	1.2
127.03883	0.4
129.01826	1.3
133.04953	0.9
137.02399	0.4
145.04985	0.5
147.02924	1.5
173.00842	0.7
182.15515	0.5
191.01903	7.5
191.03616	0.5
192.02271	0.3
197.16493	0.2
199.13332	5.4
199.18079	7.1
200.13695	0.4
200.18364	0.4
207.14934	0.6
209.00987	0.3
209.02975	6.9
210.03264	0.4
210.36218	0.2
224.17610	1.0
225.16026	9.3
226.14543	0.5
226.16486	0.3
227.12764	0.3
235.08308	0.4
242.18758	0.4
243.17108	22.7
244.17474	1.8
251.10280	0.2
253.09322	0.3
269.15057	1.2
289.14380	0.3
291.20700	0.3
308.23267	0.4
309.21597	1.0
325.14569	0.4
335.19937	0.2
341.28851	0.2
343.15558	0.6
344.15674	0.3
353.20813	7.9
354.21188	0.8
361.16464	0.6
367.26797	0.2
369.13525	0.3
387.14438	1.0
397.13385	2.3
415.14572	1.2
433.31815	0.4
451.32889	2.4
452.31879	0.4
469.33899	14.8
470.34286	2.2
535.38629	0.4
579.37573	3.1
580.37714	0.6
591.29694	0.2
597.38690	100.0
598.38983	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3045
Annotation	Cinnafragrin D
Peak:m/z	Relative Intensity
53.36383	1.0
54.23399	1.0
55.78360	1.1
65.18567	0.9
75.00749	1.6
78.95777	87.8
96.95903	2.4
96.96842	16.1
98.20641	2.5
104.25542	1.0
108.95310	1.1
111.93807	1.0
152.99493	100.0
153.99802	1.2
171.00546	3.2
223.00107	9.4
229.62100	1.4
241.01135	24.7
259.28699	0.9
279.23221	1.2
279.41812	1.1
281.24854	67.2
282.25116	5.1
315.04895	15.9
417.24365	2.0
435.25226	3.7
597.30432	96.7
598.30811	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	597.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21833	1.1
53.50589	1.0
75.00751	1.9
78.95778	86.5
92.37215	1.0
96.96841	16.6
108.04555	1.2
150.97949	1.9
152.99493	100.0
153.99852	1.1
155.58139	1.0
168.63800	1.4
171.00571	2.5
223.00111	2.6
229.81622	1.2
236.21553	1.1
241.01144	29.9
241.37787	1.0
277.21774	1.1
281.24860	67.4
282.25174	5.9
315.04913	10.1
345.83664	1.1
354.99640	1.0
375.83313	1.1
417.24121	5.5
435.25232	10.3
597.30463	86.7
598.30902	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	597.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85670	4.3
59.01251	69.5
67.52814	4.2
85.02814	20.9
93.03344	5.1
96.95869	21.4
99.44842	4.6
121.02833	5.4
146.03674	4.7
149.02342	48.5
150.03119	46.2
152.64268	4.6
164.04652	23.6
165.05453	64.7
179.07034	22.9
191.01962	7.6
195.06573	70.5
209.03018	13.5
312.10001	24.3
327.12357	100.0
328.12555	8.6
375.14233	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18291	3.4
59.01246	69.0
67.68210	3.3
69.56829	15.1
69.57251	12.4
71.01253	5.9
78.95773	5.0
89.01560	3.2
96.95843	3.8
98.02376	4.2
98.20521	6.5
107.36729	3.1
114.01730	2.7
121.02837	4.3
122.03644	8.6
135.04393	5.4
136.78238	4.3
146.03630	9.7
149.02333	22.7
150.03125	63.0
151.03484	3.3
161.06030	3.7
164.04668	11.3
165.05469	81.2
168.54770	3.1
172.41730	3.2
179.07036	26.8
180.04184	8.1
195.06570	100.0
195.08331	7.5
196.06844	5.2
326.99908	4.0
327.12323	10.5
375.14502	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	597.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52450	1.3
57.03332	12.2
59.01254	13.2
68.99696	2.6
69.03304	1.7
69.37612	12.3
71.01249	18.0
72.99192	2.8
75.00740	6.3
81.03314	7.2
83.01254	12.2
84.02042	3.2
85.02824	100.0
86.03141	3.3
86.48712	1.3
87.00763	2.7
89.02299	5.8
93.03333	6.2
93.92037	1.2
95.01269	3.4
95.04893	4.6
96.95875	8.4
97.02827	5.4
99.04393	2.5
101.02319	2.2
103.00204	1.6
107.04916	2.1
109.02835	3.0
111.00726	7.4
111.04399	2.7
113.02322	3.8
115.00256	6.1
117.15404	1.2
119.04900	8.6
121.02819	3.7
122.03579	1.4
123.00787	1.3
123.04411	15.1
125.02345	12.2
129.01830	12.8
133.01315	12.2
133.05009	1.6
135.04396	5.3
137.02357	7.1
137.05966	6.0
139.03920	7.9
145.06459	2.2
147.02931	7.8
147.04366	4.0
149.05919	3.0
151.03899	4.4
152.03522	1.9
153.05441	2.2
161.05994	3.4
163.02478	1.3
163.03888	3.9
165.01839	4.1
165.05479	6.9
165.15685	1.5
167.03401	27.0
167.04706	2.5
172.05142	6.9
173.00865	2.0
173.05963	9.1
177.01707	1.5
177.05481	1.7
179.03418	8.9
180.04118	2.4
181.05043	1.7
189.05534	7.3
191.01900	43.3
191.03421	2.9
192.02252	1.5
193.04997	4.2
196.05264	1.8
197.04428	5.3
199.04005	1.5
207.06618	1.9
209.02936	70.1
209.04575	18.5
221.04449	4.6
239.05571	10.3
251.05487	4.1
263.05603	1.6
273.07773	3.9
300.02682	2.6
307.13568	2.5
315.08789	16.5
325.14426	16.0
327.08673	8.0
328.08997	1.8
341.10269	2.0
343.15482	10.6
345.09705	6.5
357.09790	81.9
358.10004	7.5
361.16382	2.7
369.09470	2.4
369.13672	6.9
370.14243	1.6
387.10736	53.1
387.14633	31.4
388.10757	3.1
388.15298	2.5
399.11005	4.6
417.11951	19.7
429.12042	1.7
459.13089	6.8
463.08966	1.7
477.14066	14.9
489.13757	4.0
499.60468	1.7
507.15268	1.7
579.16919	2.9
597.18237	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46660	0.8
55.01754	1.4
55.93711	0.7
57.03324	11.2
59.01250	7.8
60.54952	0.8
61.80997	0.7
65.98750	0.7
68.99694	1.4
69.49363	5.8
71.01253	11.6
72.99181	2.3
73.02843	0.7
75.00726	4.1
83.01254	3.1
84.02036	3.2
85.02822	100.0
86.03159	1.2
87.00777	1.8
89.02305	4.6
96.95904	7.1
98.55817	0.6
99.00703	0.8
101.02326	0.9
103.00246	1.9
111.00764	6.6
115.00264	2.1
115.83725	0.7
120.06074	0.7
129.01837	14.9
133.01318	5.4
137.02393	0.7
144.05721	0.8
145.06296	1.0
147.02888	9.9
148.03244	1.0
161.14046	0.7
172.05226	5.6
173.00818	1.9
173.06003	9.4
174.03044	1.1
177.68529	0.7
187.03943	1.0
189.05496	1.6
191.01901	44.1
196.05295	1.0
199.03963	1.2
200.04695	2.0
204.04166	1.3
209.02968	67.8
210.03160	1.3
265.12518	0.8
297.14816	0.9
307.13403	1.7
316.18597	0.7
325.14444	15.8
326.15033	2.0
343.15479	14.8
344.15909	1.3
357.09854	0.8
361.16605	2.8
369.13440	10.6
387.14490	57.0
388.14764	4.9
391.84573	0.8
459.13031	0.8
543.30042	0.7
597.17389	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	1.0
61.98707	21.1
69.69756	1.4
69.70181	2.3
77.49072	0.5
78.95780	7.4
80.96381	1.5
82.95970	1.4
83.04872	0.5
93.03331	1.1
95.55823	0.5
96.95888	0.6
96.96832	0.7
98.19850	0.6
119.04926	0.8
121.02817	2.8
131.04890	1.1
147.04480	0.7
148.04733	0.6
149.06023	0.5
152.99503	10.6
163.03860	0.6
171.00684	0.8
183.13858	7.1
193.12274	1.2
211.13345	100.0
212.13719	5.6
237.09241	0.9
245.33165	0.6
249.09042	0.8
251.16646	0.7
267.10266	1.3
279.10242	0.8
281.04437	0.6
291.19791	1.0
295.21826	0.7
297.11371	1.3
299.01862	0.7
309.20737	0.8
361.00961	0.6
364.37622	0.7
447.17749	0.6
521.30194	1.7
547.20209	0.6
565.21997	1.1
577.21887	1.1
595.26678	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	595.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13866	0.6
53.23039	0.7
53.54752	0.6
59.01243	0.7
61.83342	0.6
68.75384	0.6
70.24596	2.5
78.95771	5.1
93.03336	1.0
96.95875	1.4
96.96818	0.8
104.20036	0.7
119.04945	1.1
121.02853	4.3
122.03194	0.9
130.04189	0.9
131.04906	2.1
133.47797	0.7
147.04422	1.5
147.42445	0.7
149.05983	1.4
152.99515	4.8
172.37332	0.7
177.84502	0.7
183.13837	2.2
195.13866	7.2
206.47307	0.7
211.13298	0.9
213.05544	1.7
213.14917	100.0
214.05807	1.3
214.15256	5.4
215.05974	0.7
254.68564	0.7
293.02124	0.6
297.02094	0.7
297.11292	1.4
381.13742	0.9
389.13965	1.5
390.14075	0.9
391.14383	1.1
417.13162	0.8
466.23572	0.7
536.29919	1.4
545.99829	0.8
547.20648	1.2
565.22058	2.9
577.21973	3.6
595.22614	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	595.2973
Annotation	Dictamnoside M
Peak:m/z	Relative Intensity
55.01761	1.7
57.02411	0.5
57.03327	2.8
58.00468	4.2
59.01250	100.0
60.01598	0.6
65.40604	0.5
66.27457	0.4
71.01254	68.7
72.01588	0.9
72.99180	11.7
73.02803	3.1
74.17328	0.5
75.00747	6.0
83.01249	4.7
85.02823	22.2
86.03181	1.1
87.00759	4.3
87.04410	1.3
89.02315	72.1
90.02692	0.9
95.01259	4.1
95.04935	0.6
96.95871	2.7
99.00769	1.9
101.02320	43.7
102.02682	0.8
106.49654	0.4
108.02094	0.6
111.00748	1.3
113.01508	0.8
113.02328	26.6
119.03394	34.5
120.03737	0.8
123.04436	0.6
125.02312	1.3
129.01823	2.9
130.08632	0.8
131.03386	3.3
133.04959	72.1
135.04456	0.6
143.03381	6.8
145.63206	0.5
145.75726	0.5
147.02916	1.3
147.04419	1.0
149.03435	0.5
149.04420	2.7
152.03415	1.0
159.02899	0.7
161.04460	9.5
177.95972	0.5
178.02666	0.7
179.05527	19.2
191.01970	3.4
192.02298	0.8
193.05087	0.7
209.02972	2.1
210.03308	0.7
211.03354	0.5
241.14433	1.3
271.19180	2.2
368.85703	0.6
373.13000	2.1
385.08606	0.8
415.23660	2.3
433.13385	1.7
433.24396	19.8
434.24756	1.6
595.29724	67.5
596.29938	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	595.2887
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
61.32850	1.0
69.38206	5.8
69.38630	3.2
77.79668	1.1
78.95777	71.6
81.37090	0.9
83.46108	1.1
89.10501	0.9
90.60238	0.9
96.96836	12.4
98.19688	1.2
99.34062	1.0
145.45454	1.0
147.49854	0.9
150.97942	1.5
152.99489	100.0
153.99776	1.7
171.00624	2.7
223.00073	7.6
241.01157	24.4
279.23288	58.1
280.23654	5.6
315.04797	11.9
415.22794	1.4
433.23459	6.4
518.25043	1.0
595.28925	66.8
596.29376	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	0.9
60.46206	0.5
70.01682	1.6
70.21508	0.6
76.33430	0.5
78.95776	75.3
96.96839	15.4
98.19879	0.7
98.62061	0.5
111.10763	0.5
111.32868	0.5
150.97897	1.0
152.99486	62.8
153.99834	1.0
156.73076	0.5
160.12985	0.5
169.90834	0.5
171.00523	0.8
187.95406	0.4
203.84660	0.5
221.37343	0.6
223.00125	2.3
227.12886	0.7
241.01152	33.5
242.01601	1.0
259.02295	0.8
279.23285	72.1
280.23630	7.0
315.04852	11.7
337.56985	0.6
415.22519	6.7
416.22897	0.9
595.28882	100.0
596.29230	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	595.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93686	0.6
64.31122	0.7
69.28506	5.0
69.28933	2.7
78.95778	79.3
86.55363	0.8
92.53162	0.7
96.96851	14.4
110.38857	0.8
145.01932	0.7
149.27831	0.9
150.97925	2.4
152.99496	100.0
153.99820	0.9
171.00562	3.6
213.27112	0.8
223.00050	1.7
234.36467	0.7
241.01157	21.9
259.02353	0.9
279.23288	42.6
280.23621	4.6
315.04880	6.2
415.22513	3.6
433.23642	17.7
434.23697	1.0
537.12366	0.9
595.28894	66.3
596.29218	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	595.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90498	0.4
51.69326	0.4
66.46272	0.4
69.33993	3.2
69.34421	0.9
71.71480	0.5
72.41794	0.4
78.95778	69.0
80.91535	0.4
96.96841	8.9
96.97419	0.7
117.89320	0.4
150.97925	2.0
152.99495	100.0
153.79372	0.4
153.99860	1.5
162.80795	0.4
171.00589	2.4
195.00597	1.1
241.01160	2.0
277.21786	0.7
279.23300	11.3
280.23434	0.9
315.04919	0.9
411.43832	0.4
415.22559	1.1
433.23590	31.4
434.23972	3.2
475.24738	1.1
535.26801	1.4
545.50702	0.5
595.28888	13.6
596.28760	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	595.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
71.35162	2.2
71.35799	1.1
72.61181	1.0
75.00748	1.5
78.95779	80.4
96.96855	13.9
152.99492	100.0
153.99858	1.8
171.00540	2.3
223.00160	8.2
241.01178	25.2
259.02255	1.3
279.23291	59.2
280.23535	5.7
315.04852	13.2
433.23520	3.8
595.28882	69.2
596.29053	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	595.234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	5.8
63.62305	3.3
65.81490	3.7
71.58263	4.8
78.95773	33.5
83.33089	3.2
85.02847	13.3
87.00761	3.5
93.03352	12.0
96.95922	5.5
96.96813	4.5
119.04958	9.8
121.02855	14.7
123.04405	3.7
131.04910	6.5
134.03645	5.2
135.04433	13.5
143.04945	5.8
145.06526	10.0
147.04428	12.6
148.69313	3.8
149.05957	5.2
152.99512	14.5
159.04382	4.5
171.10164	4.2
171.95885	3.5
173.06058	7.7
185.30406	3.7
191.01953	5.4
192.04274	4.3
195.13860	3.4
197.11795	7.6
201.11407	3.6
219.08180	3.7
236.08470	5.7
249.09325	4.7
251.16335	4.0
256.07318	4.0
268.07629	4.5
309.20682	8.6
310.20898	6.0
325.12408	4.3
337.12207	9.3
341.11868	7.1
342.12460	13.8
343.13196	4.1
346.56775	3.7
349.12509	4.0
352.11310	3.9
353.11713	11.8
354.12622	21.7
355.13361	15.0
367.13171	5.9
380.14169	4.4
381.14978	4.8
383.12622	4.6
384.13458	5.7
386.11673	7.8
393.15149	9.8
397.13943	6.0
399.16138	13.3
403.82303	3.7
405.14609	4.5
416.12665	4.7
417.16852	10.5
423.15973	9.8
427.15149	3.9
429.17026	20.0
430.17337	3.9
447.17917	10.4
473.17856	4.1
487.19293	5.0
499.18649	5.3
505.20248	12.3
517.20496	20.2
518.20660	6.5
529.20221	7.6
533.19171	5.0
534.20874	4.2
534.28619	13.1
535.21057	20.4
535.28815	11.1
547.21283	53.5
548.21600	9.9
559.20612	11.4
563.20898	4.6
565.22455	84.0
566.22467	22.1
577.22510	100.0
578.22931	18.6
595.23083	28.7
596.24127	4.5
613.06659	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	595.234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	5.8
63.62305	3.3
65.81490	3.7
71.58263	4.8
78.95773	33.5
83.33089	3.2
85.02847	13.3
87.00761	3.5
93.03352	12.0
96.95922	5.5
96.96813	4.5
119.04958	9.8
121.02855	14.7
123.04405	3.7
131.04910	6.5
134.03645	5.2
135.04433	13.5
143.04945	5.8
145.06526	10.0
147.04428	12.6
148.69313	3.8
149.05957	5.2
152.99512	14.5
159.04382	4.5
171.10164	4.2
171.95885	3.5
173.06058	7.7
185.30406	3.7
191.01953	5.4
192.04274	4.3
195.13860	3.4
197.11795	7.6
201.11407	3.6
219.08180	3.7
236.08470	5.7
249.09325	4.7
251.16335	4.0
256.07318	4.0
268.07629	4.5
309.20682	8.6
310.20898	6.0
325.12408	4.3
337.12207	9.3
341.11868	7.1
342.12460	13.8
343.13196	4.1
346.56775	3.7
349.12509	4.0
352.11310	3.9
353.11713	11.8
354.12622	21.7
355.13361	15.0
367.13171	5.9
380.14169	4.4
381.14978	4.8
383.12622	4.6
384.13458	5.7
386.11673	7.8
393.15149	9.8
397.13943	6.0
399.16138	13.3
403.82303	3.7
405.14609	4.5
416.12665	4.7
417.16852	10.5
423.15973	9.8
427.15149	3.9
429.17026	20.0
430.17337	3.9
447.17917	10.4
473.17856	4.1
487.19293	5.0
499.18649	5.3
505.20248	12.3
517.20496	20.2
518.20660	6.5
529.20221	7.6
533.19171	5.0
534.20874	4.2
534.28619	13.1
535.21057	20.4
535.28815	11.1
547.21283	53.5
548.21600	9.9
559.20612	11.4
563.20898	4.6
565.22455	84.0
566.22467	22.1
577.22510	100.0
578.22931	18.6
595.23083	28.7
596.24127	4.5
613.06659	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	595.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.8
65.00207	0.5
68.99697	0.4
69.44705	0.5
69.45114	2.2
70.35472	0.3
71.01263	0.3
73.59988	0.3
85.02821	2.2
89.02308	0.5
93.03338	12.8
94.03698	0.3
96.95882	0.4
99.20158	0.3
101.18903	0.3
107.86089	0.3
111.00764	0.6
117.03377	0.4
119.01328	0.7
121.02856	0.5
123.04421	1.3
132.02066	2.2
133.02853	1.3
135.00787	1.9
135.04402	0.3
136.01595	0.6
137.02327	0.4
143.04933	3.9
145.02925	0.4
147.00677	0.3
147.04448	0.3
148.01591	0.9
149.02345	1.0
151.00412	0.3
155.04971	1.4
158.03638	0.6
163.00287	16.2
164.00696	0.8
165.01898	0.4
167.04947	0.7
168.05666	0.4
169.06462	1.5
171.04425	1.8
171.10175	1.1
171.56755	0.3
173.06006	2.0
175.00310	0.6
176.01067	3.5
177.01721	0.8
180.05724	1.1
181.06480	1.8
182.03656	0.9
183.04398	2.7
185.05980	0.5
187.03969	0.4
189.05566	0.6
191.01939	0.8
195.04451	2.4
196.05219	2.1
197.06012	9.5
198.03168	1.3
198.06334	0.6
199.03946	25.5
200.04343	1.4
201.05515	5.0
204.00603	1.2
208.00058	0.4
209.02939	0.7
209.06126	0.6
210.03185	0.5
211.03958	2.9
212.04654	1.3
213.05498	3.4
223.03976	2.7
224.04739	3.9
225.05522	11.3
226.02670	0.8
226.05870	0.7
227.03453	5.5
228.03699	0.4
239.03502	4.3
240.04271	3.1
240.63013	0.3
241.05026	13.2
242.05345	1.0
249.08847	0.3
251.03474	2.2
252.04247	1.0
253.05035	4.5
254.02167	1.0
254.05064	0.3
255.02960	2.4
256.03537	0.4
257.04428	0.7
267.02969	32.2
268.03583	5.5
269.04550	23.5
270.04947	2.0
279.03006	1.1
283.02728	0.4
284.03299	0.6
285.04129	1.7
295.02460	9.3
296.03250	27.2
297.04028	100.0
298.04376	8.4
333.07645	4.4
337.09378	1.2
339.05035	0.6
361.07147	1.1
361.60315	0.3
390.02264	0.5
390.07462	17.4
391.08215	37.3
392.08575	4.4
489.10330	0.7
501.10406	54.1
502.10739	7.4
502.18130	0.4
595.14545	23.4
596.14880	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	595.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	4.5
57.03324	12.5
59.01253	21.3
65.00202	5.9
65.19134	3.7
65.25196	3.1
71.00603	3.3
71.01252	13.9
72.99190	5.0
73.02843	4.1
75.00739	4.5
83.01267	5.9
85.02819	100.0
89.02306	4.0
96.95892	4.3
98.19684	8.8
101.02345	7.1
108.02045	5.0
109.02838	7.0
111.00772	16.6
113.77861	3.2
116.92713	3.3
120.26652	3.2
121.02794	3.7
122.06024	3.5
123.00799	8.0
124.01569	6.7
129.01811	11.0
133.01285	4.4
139.00214	6.3
147.02896	10.8
149.02373	4.5
149.99437	4.6
151.00252	3.4
152.01132	3.5
153.01805	5.1
161.02513	3.6
163.00266	5.8
165.01842	28.0
166.99739	9.1
173.00830	7.1
177.98933	4.4
178.99760	3.7
181.01442	3.6
182.02139	3.5
183.02873	12.4
186.03119	3.6
191.01883	37.8
191.03418	4.8
193.01302	19.3
199.03941	4.7
201.01732	3.5
202.02602	7.3
202.76782	3.4
205.01401	4.4
209.02965	72.1
214.02679	5.8
215.03488	4.6
217.04935	4.4
219.06543	9.5
222.01595	3.9
230.02173	6.6
230.55978	4.7
231.02934	15.5
242.02197	7.3
245.04460	4.7
247.06065	21.6
258.01678	8.9
259.02490	5.6
259.06168	5.1
270.01700	3.9
271.02353	8.4
273.04013	4.4
275.05539	14.3
285.03922	9.1
287.01947	7.0
287.22400	4.8
297.03983	7.5
299.01929	4.5
301.03735	16.4
302.04126	5.7
303.05090	8.5
315.01456	7.9
329.03021	61.7
330.03555	13.2
331.01080	5.8
346.03287	4.9
347.03677	6.0
371.14728	5.4
386.62314	3.4
397.07578	9.4
415.08551	4.8
479.11990	6.0
533.09332	8.0
551.10229	9.9
595.27771	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	594.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	30.7
61.98711	7.9
69.36884	12.0
78.95776	47.5
79.95642	1.8
80.96398	8.9
87.35298	1.5
94.97936	2.6
96.95922	1.8
96.96825	3.6
111.65363	1.4
121.02843	2.0
145.20802	1.5
152.98331	2.7
152.99495	35.8
168.04247	6.9
171.00484	1.9
171.10204	7.5
195.13831	19.2
224.06853	9.6
225.00708	3.5
242.07924	3.9
277.21722	28.1
278.21957	1.6
295.22787	81.2
296.23206	6.7
406.06900	1.7
446.20636	5.0
449.22943	2.1
520.30444	100.0
521.30731	11.3
577.26074	1.7
594.26569	3.2
595.27930	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	594.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64471	0.9
57.03318	1.0
59.01253	23.5
61.98692	3.4
69.61086	2.7
69.61511	4.4
71.16682	0.9
71.90302	1.0
78.95780	16.1
80.96417	1.7
98.19814	2.0
113.09631	2.4
121.02872	1.2
152.99498	8.3
168.04276	2.3
177.12897	1.1
189.92020	1.0
195.13850	18.4
242.08061	4.7
249.46324	0.9
277.21750	18.4
278.21976	1.7
295.22794	100.0
296.23065	6.5
376.62363	1.1
406.23438	1.0
471.87668	1.2
520.30499	62.8
521.30707	7.8
564.21552	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	594.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02851	15.2
59.01253	11.2
61.98722	5.9
63.05432	3.9
70.07634	18.1
71.01263	5.6
74.02350	31.7
75.00760	11.2
78.95788	12.3
81.04457	5.8
85.02840	8.3
86.02363	12.7
87.05520	7.0
87.06269	3.8
93.03378	5.2
96.95916	5.3
96.96862	4.2
97.03936	6.5
97.35684	4.0
99.05515	28.3
100.03988	4.1
101.07084	4.0
102.01862	4.0
102.05483	7.8
102.62620	4.0
109.03934	4.2
112.03912	4.9
119.04888	6.6
123.05539	4.8
124.03798	4.9
128.03439	83.6
135.04465	5.2
135.05496	8.9
141.06647	4.1
143.04518	88.3
144.04866	4.3
145.06091	4.8
146.04517	13.6
146.98685	4.5
149.07230	4.5
152.99471	6.6
153.06602	5.0
166.09789	5.2
167.08189	6.6
170.03172	5.6
179.04515	28.1
179.72847	4.4
210.08777	18.1
213.14891	14.2
223.07585	5.5
225.09187	8.1
228.03806	4.8
247.13727	15.2
252.07930	6.7
253.08656	65.9
254.07722	55.1
262.61325	4.3
272.08887	80.8
273.09323	5.6
283.09708	30.1
307.08063	5.4
308.07291	8.7
385.14453	5.7
398.63263	4.1
444.83408	4.1
465.22522	7.8
492.54163	4.2
547.20197	5.0
576.26007	20.4
594.27234	100.0
595.27368	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	4.9
69.28187	21.3
71.01242	6.5
72.99187	12.7
75.00748	11.6
75.55846	1.9
76.45463	1.8
78.95775	7.7
82.59062	1.7
89.02277	2.1
93.23862	1.8
99.00728	6.8
101.73920	2.1
117.01830	1.9
121.02868	3.5
133.04962	100.0
134.05278	2.4
152.99472	6.6
157.08577	5.0
175.06143	2.5
177.68480	2.0
179.36066	2.0
203.60873	1.9
217.07195	2.3
221.28078	2.2
255.23294	11.5
268.97284	2.2
269.24881	9.4
297.24268	2.4
569.52301	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	593.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13685	9.4
59.01250	11.1
60.01680	8.9
63.17410	9.7
71.58131	20.5
78.95772	62.2
97.83704	11.3
120.21545	9.2
121.02856	20.8
152.99464	31.8
209.04404	15.5
239.20134	45.1
255.23238	28.5
277.21780	100.0
279.12155	12.1
401.40845	11.5
417.69867	12.0
593.34564	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02851	15.2
59.01253	11.2
61.98722	5.9
63.05432	3.9
70.07634	18.1
71.01263	5.6
74.02350	31.7
75.00760	11.2
78.95788	12.3
81.04457	5.8
85.02840	8.3
86.02363	12.7
87.05520	7.0
87.06269	3.8
93.03378	5.2
96.95916	5.3
96.96862	4.2
97.03936	6.5
97.35684	4.0
99.05515	28.3
100.03988	4.1
101.07084	4.0
102.01862	4.0
102.05483	7.8
102.62620	4.0
109.03934	4.2
112.03912	4.9
119.04888	6.6
123.05539	4.8
124.03798	4.9
128.03439	83.6
135.04465	5.2
135.05496	8.9
141.06647	4.1
143.04518	88.3
144.04866	4.3
145.06091	4.8
146.04517	13.6
146.98685	4.5
149.07230	4.5
152.99471	6.6
153.06602	5.0
166.09789	5.2
167.08189	6.6
170.03172	5.6
179.04515	28.1
179.72847	4.4
210.08777	18.1
213.14891	14.2
223.07585	5.5
225.09187	8.1
228.03806	4.8
247.13727	15.2
252.07930	6.7
253.08656	65.9
254.07722	55.1
262.61325	4.3
272.08887	80.8
273.09323	5.6
283.09708	30.1
307.08063	5.4
308.07291	8.7
385.14453	5.7
398.63263	4.1
444.83408	4.1
465.22522	7.8
492.54163	4.2
547.20197	5.0
576.26007	20.4
594.27234	100.0
595.27368	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	2.3
57.03329	3.7
59.01251	100.0
61.98705	6.9
64.22256	1.3
69.32775	2.1
69.33176	13.6
71.01256	22.7
72.27744	1.4
72.99197	2.9
73.02825	5.4
75.00723	2.4
76.42535	1.4
78.95789	4.0
80.96419	2.3
83.01267	5.5
85.02822	33.3
87.00760	3.8
89.02339	5.5
93.03348	2.1
95.01259	1.7
95.74150	1.7
96.95907	4.3
98.20535	3.1
101.02327	12.3
111.00748	17.0
113.02325	10.8
119.03390	2.4
119.42334	1.5
125.02358	2.8
128.11508	1.4
129.01811	3.7
133.02864	3.8
135.04460	3.0
143.03395	2.2
146.95778	1.5
147.02901	2.7
152.99545	2.3
161.04457	3.7
171.10223	2.8
173.00861	3.5
181.90707	1.4
190.94704	2.7
191.01924	9.5
199.81979	1.6
201.11212	2.3
209.02994	4.9
209.11798	3.0
211.13310	1.9
285.04132	1.6
299.26016	1.8
329.02899	2.7
340.35632	1.8
345.06268	2.2
345.30072	3.6
466.73160	1.5
489.34387	37.4
490.34796	5.0
507.24509	2.4
507.27844	1.7
507.35263	17.3
508.35580	3.7
528.99786	1.5
533.33411	3.1
549.26666	3.3
549.36371	3.1
593.30548	1.5
603.90271	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	1.3
63.91582	0.8
70.15283	4.3
78.95779	84.5
96.62008	1.0
96.96831	14.6
98.20554	1.6
120.97623	0.9
135.85040	0.9
150.97928	1.8
152.99498	100.0
153.99817	0.9
154.99203	1.0
171.00632	2.5
222.99960	2.1
241.01158	21.9
277.21713	38.5
278.22101	2.9
315.04843	8.6
413.20935	5.7
431.22031	14.5
492.49017	1.0
593.27319	76.1
594.27710	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	593.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	2.6
57.03321	7.6
59.01252	100.0
61.98690	3.7
71.01254	20.1
71.57639	3.8
75.00748	3.0
78.95789	2.7
83.01257	6.7
85.02818	28.9
87.00758	3.7
89.02300	4.1
93.03339	7.4
96.95882	7.1
97.02839	2.5
99.00723	2.4
99.04401	3.2
101.02331	12.9
111.00760	21.8
113.02341	7.9
116.92748	2.4
121.02819	5.2
125.02303	4.2
129.01857	3.3
133.02798	2.7
137.02353	4.5
143.03400	2.3
147.02858	3.0
148.29865	2.0
151.03845	2.0
154.99763	3.4
171.10207	2.6
171.59912	2.1
173.00822	10.0
191.01877	8.7
209.11742	3.2
211.13324	4.2
233.11496	7.3
245.94608	2.3
253.09187	2.3
327.12366	3.1
327.21637	3.4
340.19330	3.3
345.30038	5.6
349.20029	7.1
358.20230	17.2
372.18045	2.3
489.34262	49.0
490.34677	5.7
507.35471	26.3
508.34982	3.3
545.20081	4.8
575.20178	2.3
594.29120	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	593.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.0
62.23847	0.6
69.71761	0.6
70.15218	1.5
70.15611	2.1
78.95778	64.3
81.13572	0.6
96.96840	10.5
98.19871	0.8
100.97554	0.6
120.29291	0.6
150.97923	2.5
152.99496	100.0
171.00487	4.5
186.27426	0.8
223.00061	1.3
241.01183	17.2
277.21725	26.0
278.22058	2.5
315.04892	5.2
413.21140	3.5
431.21942	17.2
432.22418	1.2
457.75772	0.8
593.27301	41.3
594.27625	4.0
606.22034	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.1
78.95780	77.2
82.14349	1.0
96.96851	15.9
148.02605	1.1
152.99504	100.0
171.00545	2.5
223.00043	7.2
241.01190	23.4
259.02179	2.0
277.21713	37.4
278.22144	1.6
315.04913	17.5
431.21924	2.9
465.73181	1.4
492.30505	1.1
509.33798	1.2
593.27338	93.0
594.27637	11.1
603.03516	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.3
66.41136	0.8
69.31172	8.9
75.00721	0.8
78.95779	66.8
85.89907	0.7
96.96848	11.6
98.26218	0.7
139.46443	0.8
147.10677	0.8
150.97906	1.8
152.99496	100.0
153.99832	1.3
171.00545	3.4
223.00128	5.0
241.01146	27.7
253.24945	0.9
259.02060	1.3
277.21719	48.4
278.22021	3.4
315.04910	14.3
413.20941	4.0
431.21933	4.8
524.26276	0.9
593.27356	76.1
594.27704	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	593.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49077	0.4
57.03313	0.5
59.01247	5.1
61.98698	3.2
61.98983	0.4
61.99086	0.3
63.96106	1.1
69.03324	0.8
69.82626	1.0
69.83035	0.8
71.01254	8.3
72.99171	0.4
73.02818	1.2
78.95779	3.0
78.98457	5.5
79.95604	10.2
80.96389	67.1
81.03343	0.8
82.95982	1.1
83.01239	0.5
85.02824	3.6
87.00742	2.6
94.97960	16.2
95.01284	0.4
96.95905	1.2
97.02832	1.6
99.00752	0.5
99.04427	0.5
101.02316	3.1
106.97957	3.0
113.02299	0.6
113.09597	0.6
113.21754	0.4
121.02825	0.8
122.97478	6.0
125.02341	3.4
127.03909	1.0
134.97479	4.6
136.99023	1.6
146.97368	0.4
148.99037	5.3
152.98540	7.1
152.99661	0.8
164.98541	12.7
165.01793	0.5
165.98837	0.5
167.00099	0.6
168.04196	0.5
171.10185	0.4
182.99590	2.1
195.13904	1.7
206.99641	3.1
209.03134	0.5
209.11746	5.1
215.59509	0.4
224.06859	0.7
225.00684	17.8
226.00983	0.7
235.17053	0.5
243.01778	1.4
275.20029	0.7
276.20630	0.3
277.21832	0.7
293.21320	2.3
294.21512	2.0
295.22745	5.4
299.04422	2.3
363.90140	0.4
410.97110	0.4
489.34244	1.0
518.28436	0.7
519.29279	2.3
520.30450	8.4
593.26294	100.0
594.26678	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10921	0.4
59.01239	1.2
61.98696	1.0
63.96109	1.0
69.03300	0.8
69.66146	1.3
69.66565	1.7
71.01253	6.0
73.02824	1.3
78.98464	5.5
79.95109	0.5
79.95607	40.4
80.96391	68.5
81.03308	1.0
85.02825	2.7
87.00765	2.3
94.66938	0.5
94.97961	14.2
96.95872	1.2
97.02833	1.8
101.02321	2.6
106.97965	3.5
116.58955	0.5
122.97461	3.8
125.02357	2.5
127.03869	1.3
134.97481	4.2
136.98982	1.6
138.97049	0.5
143.03452	0.5
148.99048	6.1
152.98534	5.6
161.04457	1.7
164.98557	12.3
165.98965	0.5
167.00122	0.6
206.99619	3.1
221.05908	0.6
225.00703	16.7
226.00980	0.6
241.00119	2.3
293.21341	0.6
299.04303	3.5
315.03992	1.4
341.05380	0.9
371.06516	4.0
385.08093	1.8
399.09619	2.5
401.08084	0.5
402.86301	0.5
413.11227	1.9
427.12976	0.9
432.06857	0.6
441.14432	0.9
455.15833	3.1
481.17358	0.8
495.18985	2.6
523.18811	0.8
524.19281	1.3
593.26367	100.0
594.26727	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	593.2637
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
57.25121	0.7
59.01250	4.2
61.98703	1.9
63.17800	0.6
63.96125	1.0
69.03336	1.0
71.01257	7.9
71.50323	0.7
72.32996	0.6
73.02818	2.0
75.93549	0.6
78.95778	6.2
78.98466	5.3
79.95609	39.3
80.96392	63.9
81.03351	0.8
85.02847	2.6
87.00769	2.7
93.03365	2.8
93.97234	0.6
94.97968	16.6
94.98569	0.8
95.01283	0.7
96.95924	3.0
96.96871	0.7
97.02840	1.7
97.37930	0.7
101.02309	3.3
106.98006	2.8
107.71064	0.7
119.04960	2.0
121.02849	13.0
121.03643	0.9
122.96722	0.9
122.97471	5.1
125.02338	3.9
130.04147	1.7
131.04959	3.1
134.97505	4.4
136.99091	2.1
139.34879	0.7
143.05025	1.0
147.04433	3.2
148.99043	5.7
149.06033	1.7
152.98558	6.1
152.99565	2.5
160.05266	1.3
164.98561	11.8
164.99812	0.9
165.05519	0.8
179.00247	0.8
182.99686	2.8
192.87590	0.7
206.99661	3.9
224.06889	1.0
225.00702	19.6
235.07661	0.8
241.00336	1.5
243.01886	1.7
249.09389	0.8
252.07997	0.7
275.20340	0.8
293.21408	2.8
294.21744	2.3
295.22900	1.5
299.04440	3.4
313.46899	0.7
371.06747	1.4
385.08295	1.4
389.13922	1.2
399.09958	2.0
413.11365	0.9
425.14108	1.1
426.14713	0.8
427.15451	2.1
441.14178	0.9
445.16937	1.2
455.16101	3.5
473.17554	1.1
485.18137	1.5
495.19476	2.1
497.17441	1.2
515.18921	1.8
518.29102	2.0
519.29095	7.5
520.30231	1.1
533.19885	3.4
545.19263	3.8
557.19897	1.6
563.20770	5.1
575.20599	5.2
576.21899	1.8
593.26770	100.0
594.27161	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	593.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89377	2.1
59.01242	1.9
60.34584	1.9
69.62508	4.1
69.62914	14.9
81.97701	1.8
84.47082	1.9
86.40966	1.8
93.03352	3.6
94.80219	2.1
97.42099	2.1
98.19852	4.4
115.05443	2.6
119.04946	5.5
121.02851	12.2
130.04178	5.6
131.04939	5.8
143.04922	11.4
219.08247	2.2
225.09200	1.8
237.09143	4.2
243.59465	2.0
247.07570	7.1
249.09186	2.9
259.07639	2.8
277.08878	2.1
316.14551	2.4
323.10489	2.8
333.08838	2.3
349.12350	3.1
353.11868	5.5
361.12387	3.3
363.10345	3.2
377.11911	3.0
397.14053	2.3
467.16602	7.9
473.17499	4.5
479.16571	12.3
485.17563	27.8
486.17862	4.4
491.16486	10.0
497.17548	34.1
498.17883	6.0
503.18268	5.3
508.16309	2.4
509.17624	13.2
515.18604	23.7
516.18677	2.9
521.17279	3.6
527.18610	28.0
528.18854	6.9
533.19727	69.5
534.20435	10.0
539.18341	3.3
545.19684	100.0
546.20203	16.6
557.19678	41.4
558.20068	7.4
563.20959	10.6
575.20728	11.3
593.21722	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	593.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08077	2.2
69.03351	2.4
69.82011	14.3
73.88757	2.0
74.05284	1.9
88.72398	2.0
93.03336	7.2
119.04916	5.2
121.02851	71.1
125.32386	2.1
130.04170	3.8
131.04912	3.3
139.02795	1.9
143.04939	5.1
147.04443	5.2
162.37383	2.4
171.16011	2.4
226.50786	2.1
237.09322	2.4
247.07597	3.8
249.09361	2.6
292.90359	2.3
332.78220	2.3
349.12549	3.5
353.11636	2.7
355.13278	2.8
367.13693	3.8
369.11139	4.2
397.14539	4.0
427.15271	3.7
454.15253	2.3
464.93893	2.5
467.16595	5.5
473.17462	8.1
484.16629	3.6
485.17593	23.2
497.17651	11.4
503.18771	5.0
509.17249	2.5
515.18488	8.5
533.19586	19.4
534.19635	3.0
545.19678	46.6
546.20007	9.8
557.19611	8.1
563.20752	91.6
564.20825	19.5
575.20770	100.0
576.21216	18.1
593.22253	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	593.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28660	1.5
55.85747	1.4
59.01259	11.4
61.98698	3.3
64.35010	1.7
66.38921	1.7
71.01271	2.0
71.57550	3.0
78.95779	18.0
78.98455	1.7
79.95592	8.1
80.96394	18.5
85.02829	1.9
91.06196	1.5
92.77857	1.9
93.03342	17.1
94.41115	1.6
94.97955	6.1
102.31808	1.8
106.04169	2.7
108.02061	3.2
117.06747	1.4
119.04915	4.1
121.02844	100.0
121.91282	1.6
122.03175	1.7
122.97536	1.9
129.86583	1.6
130.04135	5.1
131.04935	5.3
136.01563	20.5
137.02347	5.1
143.04935	6.0
145.02861	2.7
145.06497	8.8
147.04430	5.0
147.08037	10.7
149.05974	3.2
152.99513	2.7
156.05655	4.8
157.06490	6.6
159.04472	5.1
160.05228	22.4
161.05978	8.0
164.98575	3.2
173.06021	5.5
175.03934	2.0
175.07542	8.6
195.13829	3.9
196.14244	2.4
197.06018	3.2
213.05536	2.4
219.08156	2.5
223.13377	3.1
224.06857	3.9
225.00752	5.6
235.07668	3.7
236.08412	2.3
241.05045	24.0
247.07625	4.2
248.08305	1.7
251.07072	3.4
252.07835	9.8
253.08388	2.3
263.07193	6.5
264.07901	7.0
265.08582	4.8
267.06796	2.0
267.10129	2.2
277.08768	1.6
281.08279	2.1
293.21304	15.9
294.21564	13.6
357.11401	16.6
358.11774	2.0
369.11353	13.7
371.12994	1.7
387.12411	8.5
399.12717	2.3
405.99518	1.9
409.14453	3.0
417.13477	27.4
418.14005	2.4
421.14185	2.2
425.13876	2.4
427.15338	2.2
439.15524	4.2
457.16290	2.7
473.17978	2.3
485.17703	2.3
503.18710	12.6
510.29056	1.8
515.18738	24.2
516.19171	3.7
518.28900	15.6
519.29169	38.9
520.29913	2.0
527.18683	7.1
533.19690	35.6
534.20123	7.7
545.19720	41.0
546.20056	8.4
563.20746	46.3
564.21271	10.2
575.20569	11.6
593.22186	55.0
594.21338	12.6
605.29517	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	593.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
61.69493	2.0
69.81453	4.8
69.81859	12.9
75.75375	2.5
83.45977	2.0
90.97327	2.2
93.03364	5.5
96.95920	5.0
115.05435	3.4
117.03329	2.5
119.04899	3.7
121.02859	6.3
130.04163	7.6
131.04953	11.0
135.04440	2.3
143.04941	6.0
145.06490	3.9
237.09131	7.3
247.07414	3.2
249.09244	9.6
259.07623	6.7
261.09210	5.7
267.10431	2.8
277.08643	4.1
279.10138	5.2
297.11368	7.2
349.12366	4.8
361.12195	6.1
367.13028	3.4
404.51077	2.6
464.37753	2.6
467.16574	4.9
479.16531	19.7
485.17795	12.3
489.14627	3.3
491.16467	20.2
492.16223	4.0
497.17493	32.1
498.18274	3.7
503.18225	4.8
509.17538	32.4
510.17905	6.0
515.18665	57.8
516.19354	10.7
521.17535	8.8
527.18658	88.9
528.18933	13.6
533.19696	36.8
534.20105	7.5
539.18658	17.0
545.19666	83.5
546.19995	16.9
557.19647	100.0
558.20135	17.4
563.20734	64.2
564.20648	13.6
575.20648	29.6
576.20813	6.8
593.21887	21.7
594.22296	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	2.0
70.92839	5.2
78.95757	5.4
93.03344	9.2
117.03331	1.8
119.04903	4.4
121.01958	3.4
121.02847	70.7
122.03151	1.9
130.04152	6.0
131.04968	9.8
135.04361	5.1
143.04825	6.6
145.06451	6.5
147.04395	5.6
149.06007	3.9
152.99501	8.3
160.05122	3.2
165.05495	3.1
173.05962	4.4
201.77722	2.0
221.05923	2.0
237.09177	3.1
247.07607	3.3
263.07147	2.2
268.56812	1.6
272.08978	2.3
273.08731	2.2
295.09784	2.1
304.96158	1.7
328.11090	1.8
341.11700	3.5
353.11880	2.0
357.11191	3.4
365.11630	1.9
366.12347	2.1
379.13806	2.5
391.13434	1.9
393.15024	1.8
396.13568	3.3
397.14365	5.2
409.14774	3.0
411.16028	2.0
415.15359	2.1
417.13437	4.3
426.14709	3.0
427.15332	6.9
445.16504	9.3
455.16354	1.9
467.16510	3.1
473.17529	13.6
474.17981	2.3
478.61240	1.8
479.16678	3.8
485.17667	11.7
486.17700	4.2
497.17694	4.8
503.18948	8.2
515.18481	7.5
516.18469	2.0
518.76489	1.9
527.18292	3.1
533.19635	19.3
534.20276	3.7
545.19714	17.2
546.19598	2.4
557.19440	5.1
563.20715	21.6
564.21289	4.9
575.20660	26.3
576.20990	5.0
593.21729	100.0
594.21979	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	593.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30453	3.5
56.46926	3.3
59.01257	50.7
69.40880	24.6
69.41281	7.9
71.01251	4.4
71.15324	4.0
75.00729	4.7
78.95782	18.6
79.34576	3.4
83.01273	14.1
85.02837	4.6
89.02345	3.9
93.03343	26.7
96.95911	4.7
106.65424	3.5
108.02093	5.2
112.73622	3.5
117.03345	5.2
119.04939	13.8
121.02851	61.0
126.73639	3.7
129.10744	5.1
130.04175	8.9
131.04933	20.9
133.06490	4.4
135.04393	9.5
143.04948	9.8
145.06482	4.9
147.04459	10.9
152.99510	11.7
165.05486	5.8
247.07828	5.1
249.09187	10.1
259.07602	6.0
279.10361	5.0
284.03152	6.9
285.04056	6.4
318.54520	4.0
349.12292	7.3
361.12543	4.4
366.28452	4.0
367.13492	7.4
371.15042	18.0
379.13257	6.6
391.13544	7.7
397.14420	11.2
415.15674	6.0
427.15656	29.7
428.16107	6.4
445.16589	15.1
473.16992	4.9
474.70456	4.3
478.85947	5.7
479.16751	9.6
485.17853	24.4
491.16650	10.4
497.17465	19.3
503.17853	5.9
509.17297	18.9
515.18518	15.1
521.17633	6.6
527.18408	39.2
528.18518	6.2
533.19464	24.9
534.20514	3.8
539.18481	26.9
540.18781	6.5
545.19666	100.0
546.20099	16.5
557.19751	90.4
558.19989	13.2
563.20764	66.0
564.21118	13.8
575.20807	76.9
576.21161	17.1
593.21313	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	593.1877
Annotation	Acinoside
Peak:m/z	Relative Intensity
59.01267	1.1
59.12601	0.3
63.02282	1.0
65.00194	4.1
68.37657	0.2
68.99702	0.5
71.01286	0.6
72.96863	0.3
72.99191	0.4
73.88537	0.3
75.00780	0.3
78.95811	1.1
83.01257	3.6
83.60298	0.3
84.74229	0.3
85.02846	0.6
87.00784	0.5
87.65612	0.3
89.02348	0.3
93.03374	0.7
96.95927	0.4
98.20554	0.8
101.02360	0.6
107.01280	6.2
108.02094	1.5
117.03353	0.3
119.04925	1.7
121.02847	4.2
123.00769	0.4
124.01522	0.5
125.02348	1.1
125.09634	0.4
130.04121	0.4
131.05002	0.4
133.02882	0.6
135.04446	0.5
136.01563	2.7
137.13495	0.3
143.04942	0.3
145.02843	0.4
147.04466	0.7
151.00282	16.6
152.00710	0.6
152.99519	0.6
159.04523	0.4
159.17438	0.3
160.05255	0.4
164.01076	10.8
165.01436	0.4
165.05426	0.5
169.01352	0.4
171.04395	0.6
173.06030	0.4
175.07573	3.8
177.01869	1.1
183.04436	0.5
184.05215	0.5
185.02271	0.2
186.03154	2.1
187.03983	1.1
187.09619	0.3
196.00076	8.3
197.05974	1.4
198.06808	2.4
199.07567	1.9
200.04665	0.3
201.05534	3.1
202.06242	0.6
213.05586	0.4
217.08620	2.2
225.05531	1.2
226.06308	2.3
227.03487	0.3
227.97905	0.3
228.04254	0.5
241.05000	0.8
241.08699	6.1
242.08888	0.4
243.06528	3.0
269.04477	1.5
270.05322	9.6
271.05600	0.5
284.06949	0.7
285.07684	100.0
286.08032	7.6
299.09152	0.4
309.07666	1.3
327.08698	4.9
339.08734	0.6
357.99600	0.3
369.09805	0.4
369.58273	0.3
387.10706	2.1
397.14435	0.5
409.14349	0.5
413.13379	0.3
415.15588	0.6
427.15265	1.3
429.11945	0.3
431.13358	1.1
445.16309	0.4
447.12708	0.4
466.31506	0.3
473.13956	2.4
479.16455	0.3
485.17413	0.9
497.17520	0.3
503.18692	0.6
513.01208	0.3
515.18445	0.4
533.19623	1.0
545.19653	1.3
557.19879	0.3
563.20667	1.5
575.20544	1.3
593.18768	55.2
594.19080	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	593.1514
Annotation	Datiscin
Peak:m/z	Relative Intensity
54.08298	0.8
59.01262	4.8
69.03342	0.9
69.84867	1.4
69.85275	3.3
71.01263	6.3
71.04185	0.8
72.99185	2.7
73.02802	1.3
73.85441	0.7
75.00743	3.1
77.84955	0.7
78.95775	2.9
81.44507	0.9
85.02837	4.5
87.00749	1.0
89.02316	2.5
91.52134	0.8
95.01277	2.3
95.04883	1.2
96.95861	1.0
99.00769	3.3
101.02339	2.9
108.02058	56.0
108.92719	0.8
109.02877	10.1
113.02343	4.5
117.03341	2.3
119.03535	1.0
119.04927	21.1
121.02800	1.0
121.52870	0.9
125.02324	0.8
130.76161	0.7
145.02863	5.0
151.03932	1.3
152.01064	100.0
153.01869	4.3
161.04430	1.4
163.03925	27.9
171.10190	1.3
207.02827	1.2
210.66417	0.9
227.03384	2.3
237.14949	1.0
255.02988	3.9
284.03268	6.3
285.03986	1.3
429.10315	12.9
431.13559	1.5
447.11423	50.1
448.11789	6.0
593.15106	53.7
593.28052	13.6
594.15295	8.5
594.24542	0.8
594.28912	1.3
602.71100	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.151
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83934	0.4
63.02268	0.7
65.00207	0.8
71.44785	0.8
93.03329	1.6
107.01276	2.4
109.02847	0.8
132.02063	0.9
135.00793	1.7
143.04922	1.1
151.00273	2.7
153.01836	0.8
157.06494	0.8
159.04414	1.3
163.00298	3.0
164.00964	0.7
165.01933	0.6
169.01772	0.4
169.06474	1.4
171.04413	0.7
178.99716	0.6
183.04427	1.2
185.06047	2.8
187.03853	2.9
189.05449	1.2
191.52304	0.5
195.04448	0.9
197.06010	1.4
199.03934	1.5
201.05505	0.9
211.03868	3.0
212.04538	0.5
213.05461	2.2
215.03610	0.5
217.04922	0.5
221.25648	0.5
227.03444	37.6
228.03841	2.1
229.05031	11.8
230.05341	0.9
239.03499	2.6
240.04199	1.2
241.04991	1.9
243.02847	0.5
255.02963	62.8
256.03543	7.0
257.04507	8.2
265.02197	0.5
267.03018	1.1
268.33804	0.4
283.02432	1.4
284.03253	71.6
285.04013	100.0
286.04346	7.6
327.04990	1.3
414.64685	0.5
530.22504	0.4
547.00720	0.6
593.15088	79.2
594.15479	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	593.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.6
61.98695	0.8
69.73044	0.5
70.87714	1.4
78.95787	3.1
79.95560	0.5
80.96388	1.9
92.13123	0.4
94.37331	0.6
120.02088	0.9
121.02849	100.0
122.03202	2.8
127.41441	0.5
141.52190	0.4
152.99500	1.9
153.99782	0.5
165.01826	4.4
172.87920	0.5
180.05730	0.5
181.06525	2.1
197.06010	1.8
199.27582	0.5
209.04507	61.1
210.04915	2.9
225.05557	1.9
293.21167	1.2
295.23239	0.5
298.36838	0.6
304.60788	0.5
313.07230	1.9
316.19949	0.5
357.06497	1.1
383.07883	0.9
417.09793	1.3
505.11670	2.6
549.10480	5.9
550.10510	0.9
593.12982	7.9
593.26917	2.5
594.13446	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78620	1.2
55.01754	2.0
57.03322	13.1
58.99464	1.4
59.01249	16.7
61.98694	4.6
68.99689	1.7
71.01253	18.1
71.57643	1.5
72.99171	7.9
73.02817	2.7
75.00744	10.8
79.95605	3.3
82.16451	1.1
83.01249	4.8
84.02010	2.3
85.02820	100.0
86.03164	2.2
87.00756	2.9
89.02307	6.9
91.41402	1.1
96.95874	3.6
99.00756	2.6
101.02330	5.2
102.08416	1.1
103.00233	1.8
109.02815	3.7
111.00741	7.8
113.02299	2.4
115.00243	2.1
119.03428	1.5
119.04909	5.2
121.02709	1.8
129.01834	14.9
129.03342	5.1
133.01311	3.3
133.04971	9.5
135.04407	2.4
138.95195	4.3
139.54802	1.2
145.02869	6.6
146.03625	9.5
147.02899	12.8
147.04391	29.5
147.06377	5.9
148.06836	2.1
149.06956	1.8
150.57341	1.2
151.00284	1.3
155.37941	1.2
159.04448	1.2
161.02286	2.3
161.06004	1.2
163.03882	4.2
173.00769	3.2
187.11105	1.8
190.19308	1.2
191.01895	60.7
205.12224	2.3
205.34418	1.2
206.23738	1.2
209.02953	61.4
209.11734	1.7
210.03317	1.5
223.06050	2.0
229.01196	1.4
229.12282	1.2
249.11342	2.8
249.60164	1.2
255.02873	3.7
265.04977	1.7
271.02490	6.7
281.04504	7.5
283.06058	2.3
284.03137	3.1
285.04004	8.8
296.06805	2.7
300.02765	10.6
301.03366	4.9
311.09149	5.4
313.10620	5.5
333.18695	1.5
339.08798	1.4
355.42276	1.3
357.09860	2.4
368.05057	1.2
383.07721	24.9
384.08060	2.8
401.08755	1.8
430.18073	2.9
431.18198	1.7
463.08722	15.3
464.08936	2.1
498.47131	1.5
533.25836	2.9
593.15167	4.9
594.15057	1.5
604.49591	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	593.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78620	1.2
55.01754	2.0
57.03322	13.1
58.99464	1.4
59.01249	16.7
61.98694	4.6
68.99689	1.7
71.01253	18.1
71.57643	1.5
72.99171	7.9
73.02817	2.7
75.00744	10.8
79.95605	3.3
82.16451	1.1
83.01249	4.8
84.02010	2.3
85.02820	100.0
86.03164	2.2
87.00756	2.9
89.02307	6.9
91.41402	1.1
96.95874	3.6
99.00756	2.6
101.02330	5.2
102.08416	1.1
103.00233	1.8
109.02815	3.7
111.00741	7.8
113.02299	2.4
115.00243	2.1
119.03428	1.5
119.04909	5.2
121.02709	1.8
129.01834	14.9
129.03342	5.1
133.01311	3.3
133.04971	9.5
135.04407	2.4
138.95195	4.3
139.54802	1.2
145.02869	6.6
146.03625	9.5
147.02899	12.8
147.04391	29.5
147.06377	5.9
148.06836	2.1
149.06956	1.8
150.57341	1.2
151.00284	1.3
155.37941	1.2
159.04448	1.2
161.02286	2.3
161.06004	1.2
163.03882	4.2
173.00769	3.2
187.11105	1.8
190.19308	1.2
191.01895	60.7
205.12224	2.3
205.34418	1.2
206.23738	1.2
209.02953	61.4
209.11734	1.7
210.03317	1.5
223.06050	2.0
229.01196	1.4
229.12282	1.2
249.11342	2.8
249.60164	1.2
255.02873	3.7
265.04977	1.7
271.02490	6.7
281.04504	7.5
283.06058	2.3
284.03137	3.1
285.04004	8.8
296.06805	2.7
300.02765	10.6
301.03366	4.9
311.09149	5.4
313.10620	5.5
333.18695	1.5
339.08798	1.4
355.42276	1.3
357.09860	2.4
368.05057	1.2
383.07721	24.9
384.08060	2.8
401.08755	1.8
430.18073	2.9
431.18198	1.7
463.08722	15.3
464.08936	2.1
498.47131	1.5
533.25836	2.9
593.15167	4.9
594.15057	1.5
604.49591	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	592.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04372	0.8
54.47844	0.8
57.03312	5.5
59.01250	29.5
69.61117	1.6
69.61530	5.3
76.77826	0.9
78.95774	39.0
80.96394	2.5
81.31175	0.9
91.38841	0.9
94.97946	1.3
97.06464	1.6
109.06483	1.0
113.09609	17.5
121.02859	18.5
122.98392	1.6
139.11179	1.8
152.99498	7.4
165.01883	1.6
167.10716	2.4
168.04224	4.9
171.10109	1.3
177.12767	2.7
179.10658	3.0
179.14247	1.1
195.13890	4.5
209.04478	10.6
224.06886	13.5
225.07317	1.0
242.07907	3.9
244.05241	0.9
249.22166	3.0
262.72684	0.9
275.20163	2.6
293.21219	100.0
294.21503	9.8
307.22772	10.6
308.22943	1.2
309.20544	1.0
395.28125	1.8
518.28857	79.4
519.29340	11.2
532.30457	16.0
533.30920	2.6
593.12689	1.1
593.26196	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	592.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21600	1.5
59.01247	16.5
61.98706	1.8
69.99883	4.8
70.00290	3.3
72.65068	1.3
78.95776	25.3
80.84706	1.5
88.98683	2.5
96.95870	3.0
96.96803	1.4
99.02159	1.5
114.38208	1.4
121.02828	2.7
125.16401	1.6
139.11206	3.2
142.69417	1.6
145.42953	1.4
152.99467	9.4
192.88605	1.8
224.06923	12.4
241.01102	2.9
277.21591	2.2
289.60782	1.7
293.21213	100.0
294.21576	7.6
361.77380	1.8
389.75128	1.7
464.01205	1.6
518.28809	14.6
519.28778	2.3
592.26593	2.1
593.26941	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	592.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	26.3
61.98701	2.2
67.78056	0.9
69.53317	3.6
69.53752	4.3
71.01245	2.3
78.95782	38.0
78.98470	2.2
79.95609	11.9
80.96390	15.9
82.09667	1.0
83.42461	1.0
85.02832	1.1
92.34192	1.0
93.03352	1.6
94.97966	3.8
96.96813	1.2
121.02842	16.2
122.97466	1.2
122.98364	1.0
131.04984	1.7
134.97472	1.3
136.01579	2.4
145.06506	2.4
147.04482	1.5
148.04860	1.1
148.99010	1.5
152.98434	1.6
152.99529	6.5
160.05206	3.5
161.06012	1.8
164.98523	3.6
168.04250	5.7
171.10181	4.5
195.13820	7.2
223.13300	5.9
224.06880	10.4
225.00679	4.7
234.52699	1.4
241.04965	3.9
242.07925	3.2
251.07176	1.4
275.20108	8.4
276.21008	1.1
293.21228	51.8
294.21616	3.1
357.11441	1.5
369.11292	2.0
417.13397	4.5
447.21329	1.5
455.15631	1.3
455.32953	1.2
457.16342	1.4
503.18707	1.7
515.18835	3.6
518.28894	100.0
519.29126	12.5
533.19653	4.7
545.19946	7.1
562.19476	1.5
563.20630	8.9
574.19391	2.2
575.20483	2.3
593.26007	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79873	1.9
55.63128	1.6
59.01255	34.5
61.98707	2.2
69.70322	8.2
69.70733	2.8
71.01247	4.9
71.26538	1.6
73.02798	1.6
73.56525	1.7
74.19939	2.0
78.95782	30.2
78.98472	2.1
79.95616	6.8
80.96395	31.7
94.97978	9.6
96.95876	3.9
96.96812	2.1
98.20452	2.7
104.87613	1.8
106.97964	2.2
120.01180	2.5
121.02881	9.1
122.97495	3.0
125.02381	1.9
131.04918	3.2
137.00568	3.4
147.04413	5.2
148.99030	3.0
149.06003	2.6
152.98436	2.0
152.99536	9.4
161.86403	1.9
164.98503	6.0
168.04205	5.0
171.10181	3.7
178.92206	1.9
195.13838	8.3
206.99608	3.5
223.13376	7.1
224.06935	5.3
225.00781	10.4
228.20126	1.9
235.17021	9.6
240.25458	1.9
242.07898	3.1
256.13049	2.4
275.20145	21.0
283.42569	2.1
293.21237	95.5
294.21515	8.1
336.90799	2.0
427.15387	4.9
445.16293	3.0
518.28882	100.0
519.28937	9.6
533.19421	2.5
563.20520	4.5
575.20703	6.9
592.28882	2.5
593.26843	54.6
604.37128	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	592.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25007	0.5
57.03316	3.1
59.00949	1.3
59.01251	25.6
59.95926	0.6
61.98696	3.2
70.13561	2.1
71.01262	0.8
71.04893	0.8
78.95779	19.7
80.96383	1.9
93.03234	0.6
96.95897	0.7
96.96783	0.8
97.06436	0.8
98.19904	0.7
108.33463	0.5
109.06432	0.8
113.09610	13.7
114.09964	0.6
121.02834	3.9
122.98413	0.8
127.11156	1.0
139.11200	1.6
147.04399	1.2
149.09663	0.6
152.99498	6.2
158.29588	0.5
165.01823	2.0
167.10719	2.9
168.04272	3.8
170.98413	0.6
171.10182	2.0
177.12750	3.0
179.10713	2.2
179.14244	0.9
179.89043	0.6
181.59898	0.6
183.13841	1.0
195.13849	2.1
223.13322	0.9
224.06912	2.2
225.00467	0.8
235.17061	3.2
242.07918	4.8
249.22296	2.5
275.20102	5.8
293.21225	100.0
294.21555	8.3
307.22778	12.2
308.23209	1.0
518.28876	42.9
519.29102	6.7
532.30444	6.1
533.30859	0.7
545.19885	0.8
557.19104	0.7
575.20068	1.1
593.20239	1.0
593.27716	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77159	1.0
59.01252	42.1
61.98706	1.4
69.41699	9.3
71.01251	2.0
71.04900	2.9
78.95779	24.5
78.96214	1.8
80.96397	2.2
93.03357	4.7
96.95877	1.5
108.02036	1.6
119.04903	3.5
119.48124	1.0
121.02846	48.1
122.03175	3.2
123.08142	1.1
130.04102	1.5
131.04890	5.8
133.06488	1.6
135.04427	2.4
136.01567	5.6
137.02318	1.2
143.04970	1.8
145.06496	1.5
147.04416	10.4
149.05997	3.2
152.98468	1.1
152.99467	7.3
160.05243	2.3
165.05478	3.2
168.04240	3.7
173.06041	4.0
186.15016	1.2
213.05566	4.9
214.05861	3.3
224.06895	2.3
226.06152	1.8
231.21230	2.7
233.09634	2.0
235.07602	3.2
235.17000	51.6
236.08455	1.8
236.17363	3.8
242.07976	8.7
248.08377	1.6
249.09154	2.0
251.07140	1.9
275.20148	65.4
276.20538	5.1
277.08676	1.3
293.21216	90.8
294.21582	6.7
367.13260	1.5
369.11325	5.9
388.19922	1.2
389.13934	4.8
390.14249	6.3
391.14136	1.6
397.14227	2.0
399.12320	2.5
415.15118	1.8
417.13235	1.5
425.13687	1.8
426.14615	1.5
427.15579	6.3
445.16537	10.9
447.21555	1.5
466.56873	1.2
473.17410	2.7
485.17526	5.8
487.19650	1.4
503.19409	1.3
515.18518	5.4
518.28857	100.0
519.29254	13.8
527.18286	2.2
533.19647	10.8
544.18250	2.2
545.19647	17.6
556.17889	1.6
557.19745	2.8
562.19531	3.7
563.20782	18.9
574.19733	5.0
575.20862	22.4
592.20477	5.6
593.21552	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.4
61.98702	100.0
62.98386	0.3
68.02421	0.3
69.61514	0.2
70.55171	0.7
71.01262	0.5
77.87619	0.2
78.95773	0.2
79.95638	0.5
80.96392	3.0
94.97967	0.6
102.51229	0.2
126.99437	0.5
164.98544	0.5
209.11813	0.2
225.00778	0.7
238.75351	0.2
293.21320	0.3
294.21545	0.4
295.21896	0.2
332.72415	0.2
359.09491	0.5
413.04138	0.2
464.74200	0.2
544.29675	0.3
592.25269	1.3
593.26245	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	592.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94345	0.2
56.08385	0.2
57.03342	0.2
59.01253	0.9
61.98703	100.0
65.57462	0.2
68.02412	0.2
71.01268	0.7
76.79681	0.2
78.95795	0.6
78.98463	0.4
79.95612	1.0
80.96392	4.0
85.02823	0.5
87.00764	0.3
94.97974	0.9
96.95900	0.3
98.05899	0.2
98.19777	0.6
103.47395	0.2
106.98015	0.4
126.99427	0.2
134.97469	0.4
148.99126	0.5
152.98535	0.3
164.98586	0.5
209.11783	2.3
210.17488	0.2
225.00745	0.6
229.74588	0.2
269.12189	0.3
309.20709	0.3
327.21896	0.3
356.36337	0.2
386.23953	0.2
395.27939	0.2
548.35413	0.5
592.24774	1.5
593.26166	4.7
613.22894	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71912	0.3
65.36012	0.2
71.57616	0.3
78.95781	5.2
79.95617	1.8
96.95895	100.0
96.96786	5.8
97.95810	0.3
106.88257	0.3
121.02912	0.3
152.99492	0.9
207.10182	0.4
225.11295	1.2
232.64476	0.3
243.12405	1.0
286.78342	0.3
317.15936	0.4
380.20172	0.3
593.27051	0.3
593.37567	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02868	9.2
59.01246	6.1
66.03368	1.9
68.15296	1.6
70.02858	2.0
70.75123	1.7
71.01265	4.7
71.20614	1.7
71.57506	2.6
71.79337	1.7
72.00798	2.3
72.99198	4.0
74.02352	17.3
75.00758	3.2
78.95779	5.3
82.02856	1.8
83.02378	1.9
85.02865	2.3
86.02375	6.7
86.98968	2.4
87.05518	4.7
89.02323	4.4
92.00877	1.7
96.95911	4.7
98.95490	1.7
99.05522	12.2
101.02355	1.8
101.07092	2.6
109.03949	3.0
113.02313	3.0
113.03486	4.1
114.01866	4.4
116.01650	1.7
116.03416	3.0
121.02863	2.4
123.61157	1.8
127.05014	2.5
128.03447	36.8
131.04565	7.1
132.04865	1.8
133.04985	3.5
135.05519	3.4
138.85408	1.7
141.06575	3.3
143.03490	3.5
143.04533	41.6
145.06064	2.3
146.04489	3.4
153.06599	4.8
160.00656	16.0
166.09769	2.6
167.04518	4.4
177.03363	7.3
179.04558	8.6
185.05632	1.7
210.08774	8.6
254.07767	15.7
272.08878	25.1
288.06723	8.8
306.07669	100.0
307.07767	4.8
321.49405	1.9
451.76654	1.8
593.27826	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	592.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33493	0.2
57.48922	0.2
59.01252	0.4
59.60830	0.1
63.62457	0.1
67.76602	0.2
69.91149	0.5
69.91558	0.4
71.01243	0.2
71.45655	0.2
72.00782	1.3
72.99179	14.7
74.38281	0.2
75.00745	13.8
77.97803	0.2
80.13413	0.1
85.02821	1.1
85.09476	0.2
86.02345	1.1
87.04373	0.2
96.95918	0.4
101.02383	0.2
114.01803	0.2
114.37284	0.2
119.04891	0.2
123.04420	0.3
131.04977	0.2
133.04965	100.0
134.03638	1.4
134.05295	2.6
135.04408	0.4
137.02396	0.2
142.08723	0.2
147.02852	0.2
147.03334	0.2
147.04413	1.7
149.02376	0.4
149.05992	0.6
150.03139	0.8
162.05606	0.3
164.07187	0.2
165.05496	1.0
176.07089	0.4
177.05473	0.3
178.02621	0.5
191.01868	0.5
191.03450	1.2
193.05002	2.7
195.06567	0.6
203.69963	0.2
205.04962	0.6
208.06096	3.8
209.02969	0.6
219.06602	0.3
221.27209	0.2
222.07681	1.0
236.09227	0.5
247.06136	0.2
250.07201	1.3
264.08737	0.7
292.08276	1.3
341.10257	1.0
352.10419	2.5
353.10608	0.4
383.07748	0.3
389.12408	0.4
401.98062	0.2
439.83423	0.2
463.82712	0.2
476.15701	0.2
534.16315	0.7
592.20337	13.5
593.20581	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	591.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	9.2
59.01250	100.0
61.36039	2.5
61.98695	19.7
65.81028	2.8
71.01258	24.0
71.57764	4.4
72.99163	5.5
73.02837	8.5
75.00745	17.0
78.95784	10.1
83.01279	3.6
85.02819	26.8
87.00763	3.0
89.02328	5.3
93.03335	19.1
96.95879	6.8
99.00784	4.3
99.04431	4.4
101.02325	16.9
111.00782	3.3
113.02324	13.2
119.03392	3.0
121.02835	14.0
125.02366	8.4
127.44980	2.8
133.04994	7.6
152.99464	4.5
159.10182	4.9
161.04568	4.6
169.12280	9.1
171.10173	10.0
176.93970	3.0
201.11310	7.1
204.13857	4.0
211.13377	6.0
220.12888	3.4
223.74164	3.4
235.08246	3.4
246.23654	2.9
253.09293	12.6
320.16422	4.2
338.17679	14.5
349.12183	3.0
356.18701	35.1
400.31522	3.6
487.32834	49.1
488.33206	4.8
505.33740	15.8
536.12720	3.9
543.18542	3.8
547.24432	12.1
561.19244	10.3
573.19153	32.9
574.19403	9.1
591.20569	12.8
591.33569	5.1
592.19360	4.3
592.28082	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	591.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	2.2
68.99689	3.7
69.03323	8.5
69.51134	3.6
69.51543	10.1
71.01248	3.8
71.04893	2.1
76.27977	1.7
78.95760	3.2
97.06440	2.4
102.10294	2.0
125.09605	3.2
126.09521	2.1
142.19312	1.8
151.11177	5.9
161.09625	8.1
179.10695	28.2
195.13835	5.1
197.11766	77.1
198.12082	3.0
209.11842	3.4
223.09668	4.5
223.13312	6.4
225.11208	3.2
241.10820	13.4
293.21225	32.2
294.21609	3.4
297.13422	8.8
315.14468	16.8
446.24210	2.3
591.35321	100.0
592.35870	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	591.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	4.8
59.01252	100.0
61.98703	2.6
69.33660	18.7
71.01254	24.2
71.45294	1.8
72.99172	3.2
73.02807	4.1
73.51438	2.3
75.00749	6.5
78.95771	6.5
83.01266	4.1
85.02823	15.5
87.00749	6.1
88.98685	2.0
89.02308	8.3
90.07859	1.8
93.03324	1.9
96.95881	5.8
99.00787	2.6
101.02322	17.2
105.01786	2.2
111.00759	4.6
113.02334	15.1
119.03426	2.7
133.04964	2.1
152.99484	4.0
161.04486	7.2
171.10202	10.5
173.00763	2.7
177.04213	3.3
190.94884	2.7
192.06618	3.9
192.94525	5.4
194.71043	2.1
201.11288	10.7
209.02986	1.9
209.11725	3.3
253.09178	2.7
487.32782	41.3
488.32712	5.8
505.33859	17.2
531.31573	6.0
547.34058	2.4
591.25269	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	591.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98996	2.9
57.10433	2.5
58.00477	6.8
59.01255	100.0
71.01258	65.3
72.99191	18.3
73.02840	3.8
75.00761	22.7
75.55888	3.2
78.95760	4.9
85.02834	12.1
87.00758	5.8
89.02322	72.4
99.04436	9.3
101.02327	36.3
113.02324	29.6
119.03388	27.4
133.04007	6.6
133.04962	81.8
136.47664	3.0
143.03426	7.6
148.37120	3.3
161.04503	8.8
161.13280	26.1
169.10143	3.0
171.08023	3.4
179.05553	23.6
185.13216	4.0
187.11237	40.5
205.12283	57.7
206.12653	4.3
229.12289	14.2
231.10188	5.1
247.13342	5.1
249.11330	73.1
291.12555	5.3
351.14279	4.1
357.95798	2.9
385.18619	9.4
411.16501	14.1
429.17667	61.5
430.18106	4.7
444.51315	3.6
483.18994	3.7
591.22809	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	591.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74000	1.1
52.53223	1.1
55.01760	1.2
55.96399	1.0
57.03329	3.1
58.00471	3.4
58.10640	1.1
59.01252	84.0
60.01580	1.1
69.15009	1.2
70.87178	2.3
70.87521	1.6
71.01254	46.4
72.01575	1.0
72.99169	3.2
73.02802	1.7
75.00757	1.5
83.01268	4.3
83.31513	1.0
85.02821	11.2
87.00751	2.3
89.02317	48.5
94.21207	1.0
95.01273	5.0
95.04870	1.5
98.20460	1.1
99.04408	4.8
101.02327	23.8
105.01825	1.8
107.04928	1.8
107.12377	1.0
111.04429	2.0
113.02326	20.7
119.03387	19.5
125.08827	1.1
131.03409	3.3
135.04439	2.6
143.03423	4.3
157.06538	1.9
161.02388	5.0
161.04468	5.5
161.13266	18.9
172.08904	1.3
179.03366	1.0
179.03976	1.4
179.05537	15.0
185.13197	3.2
187.11203	22.8
188.11671	2.3
196.33286	1.1
203.14395	1.2
205.12280	39.0
206.12593	3.0
229.12314	7.7
231.10129	2.5
247.13312	2.0
249.11308	72.4
250.11610	6.1
267.05167	1.6
283.02328	1.9
291.12375	3.6
323.07565	1.4
351.14423	2.7
385.18695	5.7
411.16632	14.7
412.16687	2.0
429.17645	100.0
430.18048	10.6
587.05310	1.2
591.22955	12.9
592.22949	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	591.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
61.80451	39.7
64.07986	39.7
71.05806	70.2
72.92848	36.2
75.00784	43.1
77.51334	38.6
88.94022	36.6
99.52114	36.8
108.68293	34.6
127.17185	37.1
132.84639	37.5
133.04926	100.0
139.71785	36.6
151.94456	45.0
154.46860	36.9
553.19843	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18155	1.4
55.37086	1.6
56.35240	1.5
66.80732	1.6
69.95851	9.2
93.03319	3.0
95.52992	1.5
97.26013	1.4
98.19877	1.8
103.28609	1.6
114.02745	1.6
115.05406	1.6
119.04926	2.4
121.02856	8.3
128.08292	1.5
130.04160	2.3
143.04921	3.9
147.04427	24.5
173.05989	2.1
211.74648	2.2
235.07645	2.6
237.09129	2.6
247.07564	4.1
259.07773	1.9
263.07172	2.8
265.08536	2.1
275.07339	7.4
277.08609	2.0
351.09927	3.6
379.09320	2.2
397.10791	2.2
467.16495	4.0
479.16708	2.2
485.16995	3.2
495.16110	8.5
497.17166	3.5
501.16766	6.2
507.16162	9.0
508.15970	1.9
513.17010	29.1
525.16949	27.6
526.17596	3.4
531.18103	48.3
532.18768	9.1
537.17072	4.2
543.18127	100.0
544.18250	16.6
555.18109	48.2
556.18616	9.3
561.19165	4.7
573.19147	7.8
574.19720	2.6
591.19891	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	591.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89523	2.4
58.53084	2.1
59.01258	3.4
63.89048	2.5
69.03327	3.2
71.01268	4.6
71.29312	5.4
75.43488	2.4
76.29855	3.4
78.95781	9.2
80.96400	9.1
83.16547	2.6
84.78136	2.6
86.47848	2.5
93.03356	7.8
96.95890	4.3
119.04936	6.5
121.02853	66.2
122.03143	2.9
125.16954	3.3
131.04932	5.3
135.04379	5.2
136.35950	2.5
143.04977	3.1
145.06476	3.8
147.04410	31.0
160.05199	3.4
165.05502	9.6
171.10152	2.8
173.05934	3.2
211.13361	2.8
225.00572	3.1
233.11626	5.2
237.09209	4.4
247.07703	6.6
249.09320	2.9
275.07147	6.5
277.08676	3.2
293.08371	3.6
295.09894	3.8
307.19098	2.5
313.10947	5.5
341.11951	3.0
353.11899	3.7
365.11893	5.9
381.11206	4.3
382.12012	3.1
383.12827	3.8
395.12836	7.4
397.10812	4.2
407.13089	4.0
413.14230	3.3
425.13998	12.9
443.15085	13.5
478.16092	3.3
483.16391	3.8
485.17694	4.3
495.16153	7.1
501.16959	18.5
502.17978	3.4
509.27325	5.9
513.17059	22.0
514.17596	4.9
525.17108	13.4
531.18341	9.8
543.18042	11.9
555.17944	4.5
561.19165	87.6
562.19617	11.1
573.19153	100.0
574.19537	15.2
591.19501	45.9
592.20721	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	591.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34008	1.6
59.01247	7.8
61.98704	2.1
71.01254	2.8
71.57423	3.3
74.02367	2.0
78.34190	2.0
78.95788	8.2
79.07270	1.8
89.02322	4.2
93.03338	14.3
96.95877	1.9
101.02331	3.0
102.66662	1.6
109.03432	1.9
113.02332	4.1
116.03362	3.1
119.04912	2.9
121.02843	10.3
131.04932	4.6
138.13666	1.8
147.04456	6.3
149.04448	3.1
152.99509	6.5
194.44731	1.9
207.08067	1.9
247.07510	2.0
265.08719	4.3
266.06473	2.0
275.07123	2.2
277.08755	3.1
279.10168	2.1
291.19531	1.8
377.11801	3.9
379.13342	3.4
391.13892	2.0
403.13596	2.5
407.12564	2.3
423.13129	2.0
425.14032	2.2
439.13632	2.3
455.14310	1.9
461.13980	2.6
478.16177	2.3
479.16586	2.6
481.14545	2.7
495.15924	7.7
497.17264	3.7
501.17102	2.8
507.15991	17.9
508.16550	5.0
513.17230	9.8
519.15741	7.3
525.17041	33.5
526.17401	5.8
531.18463	12.5
531.27655	2.0
532.18500	3.2
537.17120	26.7
538.17456	4.5
543.18182	71.6
544.18677	10.9
555.18164	100.0
556.18390	17.3
561.19305	22.5
562.19702	6.3
573.19244	17.2
574.19611	2.4
591.20197	60.0
591.29187	2.1
592.20392	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	589.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77092	0.4
59.01252	100.0
60.01585	0.8
71.01272	0.5
71.13849	1.2
78.95787	1.9
96.25663	0.5
116.92746	0.5
126.11528	0.4
152.99544	1.2
173.11841	1.3
196.62761	0.5
277.21759	7.7
296.85971	0.5
382.80356	0.4
589.35168	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90429	0.4
59.01258	1.6
63.81554	0.4
65.00204	0.4
69.95673	2.3
71.01276	0.7
72.99190	1.1
75.00740	0.6
75.79137	0.4
78.95822	0.4
83.01273	0.6
85.02817	1.2
89.02330	0.7
101.02323	0.5
105.01814	49.1
106.02119	0.5
107.04933	0.7
128.47885	0.4
132.02065	1.6
133.02852	25.4
134.02338	0.7
134.03568	1.5
135.04414	60.9
136.04803	2.6
151.00250	2.1
161.02347	100.0
162.02750	4.3
179.00002	1.1
179.03412	57.0
180.03793	2.8
205.05003	6.2
205.12149	0.5
249.04086	1.1
255.03011	0.6
267.05087	45.2
268.05414	2.9
270.04163	0.8
271.02347	1.3
300.02612	0.7
314.78201	0.5
323.07697	0.8
325.02200	3.2
326.03070	6.8
341.08716	2.7
342.02573	0.5
343.03339	1.9
369.03165	0.5
429.08167	29.4
430.08612	3.3
548.10516	3.0
591.13464	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	37.0
61.98695	8.3
62.95054	5.4
65.66942	5.7
69.60667	5.1
70.32994	20.9
71.01249	11.6
78.95780	21.1
89.02314	8.2
96.95892	11.8
116.92734	19.3
147.04344	6.4
152.99493	12.2
189.89014	7.5
235.17015	23.1
253.09326	24.3
270.45901	5.6
275.20105	22.8
293.21231	100.0
294.21646	8.3
303.20572	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01733	0.9
56.36559	0.7
57.03315	1.0
59.01250	26.4
61.98695	4.5
69.50603	0.9
69.94109	4.0
71.01256	6.9
71.04884	2.4
72.29809	0.8
73.02771	1.1
77.14229	0.8
78.95758	1.4
83.01276	1.1
85.02822	2.3
87.00753	1.0
89.02316	4.7
97.06497	0.9
101.02315	5.7
113.02302	3.2
113.09597	2.1
119.03386	1.6
161.04436	2.3
171.10175	5.6
179.05693	1.0
183.13809	2.0
186.03578	0.9
209.11755	1.4
223.16806	1.1
235.08142	1.9
235.17009	11.2
253.09244	28.4
254.09624	1.8
275.20145	18.1
276.20416	1.6
293.21222	100.0
294.21576	10.3
523.11871	0.9
589.35040	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	589.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39904	1.0
57.03317	1.6
58.00411	1.3
59.01249	26.6
61.98696	3.1
70.81381	1.6
70.81732	2.7
71.01262	6.0
78.95777	2.7
85.02835	1.6
86.80370	1.2
87.00735	1.8
89.01786	1.2
89.02299	6.2
101.02333	7.0
108.56255	1.2
113.02294	2.9
113.09579	4.8
121.10100	2.8
126.99476	1.9
127.77110	1.2
129.05496	1.3
143.10649	1.8
158.14140	1.3
161.04424	3.8
171.10204	10.6
183.13805	2.8
195.13838	1.3
199.13284	2.1
209.11826	2.1
231.52959	1.4
253.09253	28.2
254.09532	2.1
275.20096	14.0
276.20462	1.8
283.13672	4.5
293.21222	100.0
294.21594	8.6
450.15857	1.2
512.81946	1.4
589.31384	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	589.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14729	0.3
58.54560	0.3
59.01250	1.3
69.25281	3.5
71.01251	0.9
72.29382	0.3
72.99181	1.9
75.00747	100.0
76.01102	0.9
78.95776	2.7
83.30338	0.3
89.02330	0.8
101.02321	0.8
103.43972	0.3
104.79733	0.3
105.15568	0.3
119.03399	0.8
121.02810	0.4
141.77776	0.3
152.99495	3.1
167.00992	0.4
204.07652	0.3
235.03613	0.3
266.09525	0.4
277.21777	1.3
279.23294	4.0
363.06787	0.3
431.21603	0.4
485.63916	0.3
507.27249	1.6
567.58252	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23459	0.4
54.62216	0.4
59.01255	0.6
63.23603	0.4
71.57520	0.6
72.99189	2.3
75.00748	100.0
76.01085	0.9
78.95771	5.7
85.37848	0.4
121.02853	1.1
144.53693	0.5
152.99475	3.4
184.63759	0.5
194.93755	0.8
203.37488	0.5
204.46289	0.5
268.97495	2.0
277.21759	0.6
279.23465	0.5
320.54465	0.5
455.15329	0.5
573.25916	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	41.0
69.96548	20.0
71.01254	7.6
76.42726	3.3
78.95798	4.4
85.02834	6.3
89.02340	5.3
96.95869	6.2
101.02329	8.8
112.02312	3.3
120.23488	3.6
169.30130	3.5
171.10204	9.8
195.13820	6.9
199.13353	4.1
223.13351	4.8
253.09276	38.5
264.61884	3.8
275.20105	9.9
293.21234	100.0
294.21494	8.6
589.34949	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	589.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	9.2
59.04462	1.6
71.57583	2.2
73.15456	1.6
78.95786	12.2
85.02808	1.7
88.37092	1.4
93.03334	1.6
96.95885	3.1
96.96834	2.0
98.16538	1.6
111.76897	1.8
119.04900	3.2
121.02833	5.1
143.04912	1.8
147.04417	31.4
161.05940	2.4
165.12724	2.4
219.08127	3.1
235.07587	2.5
237.09158	2.7
247.07570	8.5
259.41751	1.7
263.06888	2.1
264.07858	2.7
265.08612	4.7
275.07153	18.4
276.07727	5.6
277.08594	5.0
291.19601	6.5
305.08374	1.9
346.86124	1.8
365.11832	4.7
393.11111	2.8
394.11975	2.4
455.16803	3.7
467.16550	5.2
483.15781	2.2
485.17236	2.1
495.16037	6.7
501.16953	7.0
511.15100	2.5
513.17194	10.3
514.17096	2.1
516.27167	6.9
523.15277	9.6
524.16083	2.4
525.17084	2.1
529.16534	48.2
530.16833	8.0
535.15497	5.7
541.16602	100.0
542.16895	19.7
553.16608	54.6
554.16858	12.4
559.17950	2.6
561.18829	2.9
571.17480	4.2
589.18652	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	589.0326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86746	0.5
57.03305	0.7
58.00471	0.6
59.01249	16.4
61.89363	0.6
65.00179	1.6
70.85217	1.3
70.85554	0.9
71.01253	10.5
72.99190	1.0
83.01249	1.1
85.02821	5.1
89.02312	6.7
94.78838	0.6
95.01256	1.0
95.19416	0.5
96.95889	1.5
97.02845	0.7
101.02338	5.0
111.00752	1.9
113.02347	2.8
119.03371	1.1
121.02828	0.5
127.02369	0.6
137.97829	0.5
150.98489	0.9
152.07086	0.8
153.00053	1.5
154.39397	0.5
164.39485	0.6
165.01845	7.2
178.98064	2.0
179.98779	5.5
180.99539	5.3
191.01863	1.0
206.97614	1.0
207.02872	0.7
209.02994	0.8
209.71922	0.5
210.43826	0.6
225.64331	0.5
257.99890	0.6
269.04556	1.6
271.02271	0.8
284.98615	2.6
285.04034	0.7
285.99258	3.1
299.01993	1.4
301.01761	3.6
312.98126	2.3
313.03561	2.3
313.98901	48.2
314.04095	3.8
314.99295	3.9
328.00491	5.4
329.01224	72.4
330.01584	5.8
347.02225	7.2
495.63611	0.7
509.07574	100.0
510.07935	13.2
589.03351	7.3
590.03906	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62725	2.0
57.03325	6.0
59.01235	8.8
59.10242	2.1
68.02415	28.1
71.01250	15.6
71.04887	2.8
71.58094	2.8
72.98710	2.0
73.02830	3.5
78.95775	13.1
85.02817	7.3
89.02295	2.6
96.98340	1.8
100.44360	1.9
101.02295	8.3
104.75916	2.0
113.02309	4.4
115.57790	1.8
116.92676	2.8
120.20293	1.8
126.99462	28.9
128.99162	33.9
144.49255	2.2
151.07529	10.7
152.08165	7.3
152.99506	9.3
169.08615	27.4
173.11748	2.4
187.09674	17.4
217.11996	2.5
255.23242	16.4
269.24817	3.0
277.21512	2.5
328.50388	2.2
331.13947	12.8
349.15030	22.8
454.04025	2.2
587.38049	100.0
588.38470	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	1.5
59.01251	35.3
61.98699	1.7
68.02383	1.3
71.01255	8.2
71.04890	17.4
71.57831	1.6
73.02800	1.3
75.00748	1.9
78.95771	2.2
79.95600	0.9
80.96407	1.6
83.04923	1.1
85.02818	6.9
88.94314	0.9
89.02304	4.5
96.95852	1.1
97.06464	2.9
97.57925	0.9
101.02320	6.1
113.02306	3.7
119.03390	0.9
146.08154	3.5
161.04393	2.0
171.10120	3.6
190.96706	0.9
197.11774	2.7
207.13841	1.8
209.11781	1.4
219.13794	3.0
225.11285	2.9
235.08105	1.3
235.17044	1.8
253.09280	16.1
271.02679	1.1
273.18466	1.4
277.12280	3.6
291.19669	100.0
292.20071	7.8
309.36819	0.9
359.51022	1.0
467.30029	2.1
485.31128	1.3
526.20569	1.1
527.28094	4.8
528.28461	1.2
541.99011	1.1
587.35638	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
61.98697	6.9
68.02387	3.6
71.01261	27.7
73.02818	8.5
78.00880	2.4
78.95780	6.3
85.02820	19.3
87.00755	45.0
88.00285	4.1
88.01103	4.5
88.03905	7.5
89.02317	45.8
96.95901	7.4
97.02789	4.1
101.02324	20.4
113.02332	11.6
116.92728	3.5
119.03405	3.9
121.02840	28.4
125.02306	4.7
125.51401	2.6
126.99474	8.9
128.99161	10.4
135.04411	10.4
143.03404	4.6
146.03983	2.9
161.04436	6.0
167.93542	2.5
171.10178	15.3
197.11742	7.3
205.49564	2.6
209.11658	3.0
211.13380	3.5
229.70879	4.3
483.29626	10.3
501.30682	8.5
543.31427	5.9
546.83221	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	587.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67968	0.6
57.30211	0.6
59.01252	1.8
71.29135	1.4
78.95779	25.1
83.04867	0.7
85.57587	0.6
89.46664	0.6
96.96816	2.6
112.42126	0.6
116.92768	0.8
120.95359	0.7
136.94853	1.7
139.91763	0.8
150.97868	0.8
152.99495	23.3
153.00732	1.3
171.00500	1.5
189.15465	0.7
192.97520	0.9
227.03249	3.4
245.04314	1.9
249.00110	1.8
267.01248	2.9
271.22699	0.7
277.21729	100.0
278.22058	8.1
397.16299	0.8
471.19998	1.1
505.25739	54.4
506.25931	5.1
527.22546	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.8
70.07549	0.8
71.58110	1.4
71.83899	0.7
77.17603	0.8
78.95778	22.2
96.96854	1.2
112.93670	0.8
115.00237	1.0
120.95393	1.1
133.01318	2.4
136.94814	1.2
150.34517	0.8
152.23911	0.7
152.99493	25.4
157.08647	0.8
171.00586	1.9
192.97546	1.2
216.21179	0.9
227.03171	3.6
245.04332	1.2
248.08092	1.5
249.00105	1.3
259.20639	1.4
267.01352	3.7
277.21722	100.0
278.22092	7.6
488.61221	1.2
505.25726	57.6
506.26031	5.1
527.22363	2.0
597.61914	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25642	1.0
59.01259	2.3
61.94994	1.0
66.79755	1.2
69.03331	3.4
69.64772	6.6
78.95785	2.5
79.34071	1.0
93.03349	1.1
96.95895	1.5
97.02814	4.9
116.60654	1.1
121.02875	2.5
121.06459	1.0
123.75238	1.2
137.09612	1.4
152.99527	1.3
171.10245	1.8
177.12787	1.8
195.13858	3.0
203.14189	1.1
205.15904	7.6
209.11638	1.3
217.12022	2.6
221.15369	1.7
223.17010	5.2
233.15405	3.0
235.17043	5.1
235.75130	1.2
245.11592	15.7
247.09471	1.7
251.16493	6.3
253.18073	25.3
254.18289	1.3
255.13631	6.1
271.13461	1.5
273.14722	100.0
274.15112	7.1
279.12006	1.1
291.14618	6.0
291.19690	3.0
309.20718	29.9
310.21045	2.0
331.18872	6.5
527.32751	1.4
585.37396	6.3
586.37378	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	585.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.6
59.01250	100.0
60.01582	1.0
61.98717	0.9
63.37743	0.4
70.87209	1.0
70.87570	0.7
71.01252	7.8
72.99181	0.7
73.02824	3.7
75.00755	1.1
78.95813	1.1
79.95611	0.7
80.96420	0.5
83.01271	1.4
85.02824	4.9
85.21459	0.4
87.00256	0.5
87.00758	0.7
89.02325	5.1
90.30556	0.5
96.95903	1.3
99.00781	0.9
101.02330	5.3
111.00780	1.3
113.02328	5.0
116.02682	0.5
116.97195	0.6
119.03442	1.2
122.06061	0.7
125.09642	1.0
126.99461	1.1
129.01851	0.6
131.03368	0.5
135.94754	0.4
143.03421	0.6
146.08150	0.6
149.04527	0.7
152.07164	0.9
161.04457	2.7
165.13872	0.5
168.32022	0.5
171.10260	1.5
179.05563	1.7
186.91090	0.4
196.93169	0.4
201.11270	4.6
201.12990	0.6
207.10254	0.5
209.02927	0.6
209.11743	0.6
211.13458	0.7
229.61293	0.4
253.09561	0.5
267.16092	0.6
277.12390	1.0
287.14023	0.6
309.10461	0.8
318.06622	0.5
321.24280	1.1
414.19263	1.0
456.20123	0.6
457.20880	0.7
461.21829	0.5
465.28946	1.7
483.29855	2.1
541.30585	0.9
549.36365	0.6
585.26581	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	585.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23664	0.3
57.03309	0.5
59.01251	100.0
60.01581	1.0
65.45136	0.3
70.55028	1.1
71.01255	5.1
72.99155	0.3
73.02822	2.3
76.13063	0.3
79.95631	0.5
80.96392	0.4
83.01275	1.2
83.04924	0.5
85.02822	2.2
87.00800	0.4
89.02307	2.3
93.03345	0.4
96.95882	0.5
101.02327	3.7
113.02323	3.0
119.03413	1.3
126.99474	0.4
143.03386	0.7
149.04387	0.3
151.11244	0.3
161.04472	1.7
179.05571	0.6
198.56580	0.3
253.57256	0.4
321.24399	0.4
323.68552	0.3
405.26755	0.4
465.28824	0.7
483.29587	1.0
525.30914	0.6
548.70898	0.4
609.81689	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.32
Annotation	Unknow
Peak:m/z	Relative Intensity
67.85318	0.6
71.06410	1.2
71.06739	0.7
72.71282	0.6
74.44913	0.6
78.95779	71.0
87.66233	0.6
96.96844	7.8
116.85197	0.7
125.09648	1.1
127.11197	1.6
152.99493	66.3
168.37430	0.7
171.00598	1.1
171.10184	100.0
172.10515	4.4
184.83902	0.6
184.91716	0.6
228.61726	0.6
277.21722	43.5
278.22098	4.6
304.58554	0.7
307.09525	29.4
308.09821	1.3
325.10550	11.3
413.20905	8.2
414.21378	0.7
431.21991	5.5
585.32092	7.3
586.32635	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	585.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07891	2.3
54.90733	2.0
57.03307	3.1
59.01251	100.0
68.02416	2.6
69.64172	7.9
69.64604	11.0
71.01256	20.9
73.02821	5.2
75.00732	2.4
80.96392	5.7
85.02817	26.1
86.03148	2.6
89.02315	15.5
96.95888	5.5
99.90315	2.3
101.02331	10.5
111.00781	3.8
113.02316	15.6
118.96862	2.8
119.03388	5.2
126.99477	7.2
129.01767	2.7
171.10201	11.0
191.01939	3.3
195.10262	7.8
201.11288	3.6
215.87703	2.4
252.76099	2.5
253.09389	4.4
255.10594	3.9
465.18643	3.3
465.28500	9.6
483.29428	7.1
497.26883	2.7
586.57843	2.9
604.01965	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	585.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65050	1.3
51.85325	1.1
54.93329	1.3
57.46197	1.1
58.84359	1.3
59.01249	1.6
59.19655	1.3
61.98713	7.4
70.81725	1.9
70.82049	1.5
78.95776	90.7
96.96847	9.1
100.77072	1.2
108.41142	1.4
127.11192	1.7
152.99490	75.1
171.10188	100.0
172.10559	3.3
187.55351	1.8
277.21719	50.0
278.22092	5.4
307.09528	30.0
308.09930	1.9
325.10587	10.6
413.21030	18.0
414.21295	2.2
431.22089	7.3
585.31976	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	585.32
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08300	10.7
52.28701	13.4
59.01242	14.9
67.95657	11.0
71.01282	14.1
71.57417	20.1
78.95776	52.8
85.32816	12.1
91.24957	11.7
112.50341	13.8
130.10928	11.5
152.99483	54.0
171.10190	48.4
182.84656	10.5
195.13814	14.4
240.03987	13.5
251.16476	39.5
255.23354	58.8
269.24896	43.5
277.21689	45.0
291.19583	30.2
293.21194	100.0
309.20560	20.4
508.24191	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	585.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.24092	0.3
60.29870	0.4
69.43416	0.3
71.56937	0.6
72.99181	14.3
75.00743	8.9
96.95905	0.5
101.45447	0.4
115.48711	0.4
120.54087	0.4
129.13463	0.4
133.04958	100.0
134.05290	2.7
137.02332	1.8
173.20905	0.4
183.10187	0.5
190.34801	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60871	2.8
53.17717	2.8
57.03322	2.7
59.01252	100.0
61.98722	3.9
63.97580	2.8
67.57775	3.0
71.01253	52.1
71.57642	4.9
72.99173	3.1
73.02824	23.3
78.95803	5.7
83.01260	12.1
85.02822	46.4
86.03156	3.0
87.00766	2.9
89.02324	24.5
93.03331	6.6
95.01244	3.0
96.95872	9.9
101.02322	28.6
108.08063	16.1
111.00768	10.3
113.02326	37.3
119.03380	9.2
122.05899	3.7
129.01826	5.3
131.03441	5.2
141.94748	3.4
147.02917	3.2
149.04433	4.7
152.07095	23.0
158.02390	4.7
161.04466	10.9
171.10187	6.5
173.00833	4.6
179.05653	2.8
187.10275	2.9
190.04974	20.3
191.01936	6.3
198.81494	2.9
211.13388	5.4
222.07361	2.6
283.02521	3.8
300.02731	3.8
337.11697	4.8
387.15652	24.1
411.14487	3.7
444.43484	2.9
481.28125	8.1
499.29221	9.2
503.12326	5.9
517.18549	19.7
518.18958	4.1
549.20886	14.2
550.20789	5.1
585.26440	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	584.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	1.3
59.01247	3.6
61.98701	2.3
64.55152	0.8
68.73866	0.9
69.03337	1.8
70.72253	2.4
71.04883	1.8
73.02812	1.1
78.95778	21.3
80.61819	0.8
87.04407	1.2
96.95886	1.1
96.96843	1.9
101.05983	1.0
121.02867	1.7
143.04515	1.6
152.99506	7.4
168.04227	3.6
180.65086	0.8
181.12123	0.9
195.13864	7.8
207.13853	2.9
207.17482	3.5
209.15344	1.3
220.14331	0.9
221.15436	3.2
223.16985	20.3
224.06931	2.6
224.17311	1.8
233.15427	13.5
235.17067	2.1
242.07997	7.7
251.16521	46.9
252.16837	3.5
254.07652	1.2
273.18637	1.6
291.19653	7.0
306.07645	2.0
309.20734	62.6
310.21094	5.8
399.31271	1.0
419.14279	1.1
518.40637	1.0
534.28394	100.0
535.28650	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	584.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	2.5
70.32249	1.3
70.32644	2.8
71.04903	1.3
78.95313	1.8
78.95778	33.3
96.95878	0.9
97.06500	1.0
98.20428	1.0
122.98440	0.9
139.66594	0.9
145.76266	0.9
152.99454	4.5
168.04233	5.1
195.13860	5.8
207.13940	2.3
207.17455	3.5
221.15358	2.3
223.16974	16.7
224.06943	9.1
233.15468	8.0
242.07692	2.1
251.16498	34.5
252.16866	3.5
273.18820	1.1
274.47333	0.9
291.19696	6.6
309.20743	29.9
310.21030	1.6
458.77515	1.0
534.28351	100.0
535.28754	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	583.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
66.80945	0.7
69.62920	2.8
69.63347	2.8
70.99191	0.7
78.95798	2.2
82.19495	0.6
84.00590	0.7
91.28109	0.7
95.04919	3.2
98.20626	1.0
108.46219	0.8
123.04414	55.8
124.04767	2.1
129.07758	0.8
152.99542	1.3
230.34462	0.8
255.23369	0.9
283.26495	3.6
284.26868	3.8
335.89899	0.8
508.34872	1.1
509.34061	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	583.241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37273	0.3
53.42624	0.3
55.01760	0.6
57.03322	4.2
57.06232	0.3
58.03652	0.7
59.01247	2.2
61.98684	0.5
62.28699	0.3
69.03327	0.4
70.42600	1.1
71.01252	1.2
72.99180	16.2
73.02817	0.5
75.00744	14.4
83.01224	0.7
83.04864	0.4
84.02039	0.9
85.02823	23.6
86.03156	4.0
87.03227	2.0
96.95893	1.2
101.02332	0.4
111.00785	1.2
112.01054	0.4
123.04433	0.5
129.01852	2.3
130.02203	0.6
133.04959	100.0
134.05283	2.8
137.09615	5.5
147.02884	3.5
148.03181	0.7
149.03302	0.9
150.03134	0.6
155.10680	2.4
165.05472	0.9
173.00819	0.7
175.11165	0.5
175.94287	0.8
179.10722	0.4
181.08679	0.4
191.01912	7.7
192.02261	2.7
193.02370	2.9
195.06598	0.3
199.09677	3.3
205.08659	0.7
209.02901	0.7
223.09691	0.8
241.10767	0.8
246.90416	0.3
247.09743	0.8
248.32677	0.3
265.10797	3.3
343.13904	3.8
359.55649	0.3
424.05222	0.4
474.42316	0.4
475.72424	0.3
525.19830	0.8
526.20148	0.3
583.24103	9.2
584.24017	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41439	0.9
55.01752	1.4
57.03328	4.8
59.01254	33.5
60.65549	0.9
71.01253	11.8
71.57638	1.3
72.99183	2.6
73.02816	2.4
75.00719	1.2
78.95774	2.8
79.95605	3.4
83.01269	2.2
84.02081	1.0
85.02821	34.0
86.03165	4.3
87.00779	1.6
87.03277	1.2
89.02286	1.7
93.03346	2.6
96.95889	100.0
101.02348	4.8
107.04952	2.3
111.00777	7.8
112.01088	1.1
113.02339	1.4
114.93298	2.6
122.06011	2.1
129.01833	3.3
135.04425	42.9
136.04707	2.5
141.84673	1.3
147.02898	3.5
152.07085	2.5
160.05229	2.4
163.02347	1.4
173.00873	3.4
175.07530	3.7
178.02684	1.1
179.03438	1.2
179.30418	1.0
189.05473	2.3
189.09093	6.3
191.01912	9.7
192.02252	3.5
193.02429	3.3
205.34207	1.0
209.02979	4.4
210.03400	2.2
211.03439	2.0
249.10396	1.1
276.17288	20.3
277.17804	3.2
280.80508	1.3
291.19724	8.1
318.18265	1.3
370.05118	2.4
371.05576	2.3
372.05917	3.0
420.21512	18.2
421.22006	3.6
435.23834	26.9
436.24258	4.4
438.22583	44.7
438.28592	2.5
439.22955	7.2
453.24936	34.7
454.25583	5.4
454.30771	1.1
480.23651	3.0
495.26047	10.1
496.26254	2.2
497.22522	1.6
521.23792	5.1
539.24939	56.6
540.25256	9.7
583.23492	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	583.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11228	0.4
50.42797	0.4
53.91547	0.4
55.20351	0.4
59.01252	3.1
67.85201	0.4
69.38009	3.8
71.01264	0.9
73.02800	0.9
73.15224	0.4
78.95770	2.0
79.95609	3.1
85.02817	0.8
96.95888	100.0
97.95791	0.6
98.19871	0.9
101.02304	1.2
104.38075	0.4
113.92529	1.4
114.93298	3.0
118.96505	0.8
161.04445	0.5
245.42761	0.4
253.09386	0.7
479.19742	1.2
497.21088	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52748	1.2
57.03312	1.4
59.01255	14.5
61.41250	1.0
61.85190	1.1
64.81543	1.1
70.02862	7.5
70.57350	1.2
71.01255	11.7
71.04893	5.5
71.13109	3.1
73.02807	1.5
85.02839	3.0
89.02322	11.4
91.51464	1.5
99.04390	2.0
101.02331	9.6
113.02348	4.6
116.07101	2.2
119.03385	3.3
128.03383	1.4
130.03227	4.1
146.08141	65.9
161.04425	1.9
175.05489	1.3
217.11977	3.8
277.12122	4.2
308.13538	11.8
309.13745	1.5
313.57922	1.2
379.17249	4.3
439.17548	100.0
440.17831	8.3
461.45120	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.0
57.03323	9.8
58.03646	2.1
58.49056	0.6
59.01251	4.8
59.81226	0.7
68.99685	0.9
70.01837	3.0
71.01229	1.9
73.02815	1.0
74.17135	0.7
75.00755	1.4
78.90486	0.7
83.01239	1.7
84.02026	2.0
85.02825	58.7
86.03156	11.1
87.03236	2.6
89.02267	0.9
93.03342	6.1
96.95894	2.0
103.00265	0.9
109.02829	2.8
111.00769	6.5
112.01099	0.9
121.02850	9.4
122.05986	2.2
129.01819	5.1
130.02119	1.0
131.02122	1.0
134.03511	0.9
137.02371	0.8
139.03946	1.3
143.04918	0.9
145.01611	0.7
145.02803	3.7
147.00797	1.5
147.02896	8.1
148.03212	2.2
149.02318	1.7
149.03345	1.8
152.07103	3.8
163.00316	0.9
171.04460	4.9
173.00830	2.1
175.00243	4.1
187.03989	1.1
190.05016	2.9
191.01907	18.2
192.02278	7.0
193.02347	5.3
199.03967	1.8
203.07094	2.0
209.02982	1.7
211.03899	1.8
213.05484	1.5
227.03459	2.3
228.04257	3.8
229.05022	1.6
239.03528	1.1
242.02122	1.8
243.02982	1.6
255.02956	7.3
256.03818	4.9
257.04471	2.9
267.02899	2.5
268.03717	2.8
269.04520	1.2
270.01825	1.3
271.06113	33.4
272.06412	3.1
283.02563	6.7
284.03323	4.3
296.03278	1.1
299.05582	2.0
313.03665	0.9
333.07654	2.2
349.07153	3.9
377.06662	39.2
378.06979	4.5
397.94427	0.9
405.06140	100.0
406.06738	18.0
407.07483	0.9
420.02737	1.8
420.08511	67.7
421.09235	67.0
422.09766	6.7
551.24011	5.0
583.14508	90.3
584.14777	15.4
605.99164	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99537	0.3
59.01254	15.4
59.05380	0.3
61.28182	0.3
64.27205	0.2
66.64767	0.3
71.01259	0.5
73.96644	0.3
78.95779	7.9
78.98482	0.3
79.36170	0.3
79.95602	0.8
80.96394	3.5
87.00742	0.4
87.87449	0.2
94.97964	1.0
96.96819	0.4
99.92496	0.3
119.78623	0.3
122.97514	0.4
146.27423	0.3
148.99057	0.3
152.98431	0.4
152.99489	1.9
163.52925	0.3
164.98534	0.6
168.04201	1.4
196.89384	0.6
204.94603	0.3
224.06859	0.7
225.00624	0.7
242.07942	2.5
272.83023	0.3
283.26416	100.0
284.26782	9.6
458.63647	0.3
467.55795	0.3
508.34067	23.3
509.34412	3.6
531.53217	0.3
582.30280	5.3
583.19720	0.6
583.29987	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.4
59.01243	2.1
65.00202	0.7
69.69596	3.9
71.01250	1.3
72.99164	1.1
75.00760	1.0
78.95761	0.7
83.01277	1.0
84.02028	0.7
85.02820	13.8
86.03147	3.5
87.03200	0.7
93.03320	5.8
96.95867	3.1
101.02332	0.8
103.05949	0.5
109.02830	3.6
111.00764	11.5
112.01094	2.8
113.01269	1.0
121.02842	5.7
129.01820	1.6
133.02834	0.8
135.04483	0.7
139.03905	2.3
145.02846	2.2
147.00780	1.9
147.02812	1.1
149.02328	3.8
154.99886	1.2
161.02394	1.4
167.04811	0.9
171.04424	2.9
173.00809	4.5
174.01147	1.4
175.00218	6.8
187.03976	1.8
189.05495	0.8
191.01868	4.0
192.02217	1.5
193.02376	1.1
199.03839	1.9
209.02980	0.8
211.03947	2.6
212.04849	0.7
213.05435	1.0
227.03464	2.7
228.04173	2.0
229.04993	2.1
239.03445	2.1
240.04259	0.8
241.04936	0.9
242.02188	1.7
243.03006	1.1
255.02950	6.9
256.03583	4.0
257.04437	3.9
259.30283	0.6
267.02982	2.4
268.03766	3.1
269.04547	1.3
270.01761	2.6
271.02905	1.2
271.06061	13.3
272.06427	1.1
283.02438	5.6
284.03265	3.8
285.04077	0.7
299.05499	2.0
305.08078	1.4
321.07703	1.1
332.07019	1.7
333.07538	2.0
349.07150	6.3
360.06216	2.0
361.06940	2.0
372.05872	0.9
377.06644	57.9
378.07062	7.0
388.05643	0.8
391.08417	1.0
405.06125	100.0
406.06668	20.7
419.07761	0.7
420.08490	76.1
421.09207	69.0
422.09451	6.3
446.54056	0.7
529.26343	0.8
583.14539	89.9
584.14740	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	582.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37056	0.4
59.01251	21.5
68.02384	0.5
74.43050	0.4
78.95775	19.2
85.02792	0.5
89.61140	0.4
93.01948	2.4
94.68285	0.4
98.19756	1.2
101.24515	0.4
126.99454	23.5
131.55916	0.4
135.04108	1.2
147.04097	0.5
152.99486	2.1
168.04214	2.6
175.03632	1.3
224.06868	7.8
224.08885	0.7
231.09932	2.1
242.08029	2.4
245.03395	0.9
263.69385	0.4
283.26404	100.0
284.26743	9.8
359.10312	4.6
381.88736	0.5
508.34058	67.2
509.34406	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	582.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02849	6.4
59.43468	3.8
64.95105	5.6
71.56445	6.3
71.56810	4.2
74.02335	11.5
82.02860	5.6
82.33418	4.1
86.02370	5.0
87.05534	4.9
96.37752	4.0
97.03979	7.9
99.05523	10.3
100.00290	10.7
105.99584	13.9
128.03421	73.5
141.02995	4.1
143.04527	39.5
146.04419	5.9
146.08093	28.6
151.05103	5.1
153.06593	5.3
160.00626	5.9
169.06128	12.4
175.01724	17.1
179.04535	12.7
197.05733	6.1
200.37138	4.5
203.04898	8.3
210.08789	4.9
254.07782	18.4
272.08887	88.7
275.10693	7.2
277.12317	8.5
286.04980	5.7
304.02661	7.0
304.06070	100.0
306.07578	4.8
309.09412	15.0
403.06982	4.2
544.37878	4.3
558.46527	4.3
564.17163	5.7
582.19086	77.0
583.19128	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	581.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94624	0.9
59.01250	100.0
59.38250	0.8
62.67747	0.9
71.01260	1.8
71.57433	1.4
78.95774	10.9
78.98460	1.9
79.95610	5.1
80.96389	22.6
82.00630	0.9
85.02811	8.3
94.97948	5.3
96.95892	79.5
101.02305	1.1
106.17155	1.0
106.97931	1.3
122.97469	1.0
125.02353	1.2
134.97456	1.9
147.02943	1.6
148.99045	2.4
152.98450	1.2
152.99513	2.8
164.98567	3.4
171.10181	13.9
177.89668	1.4
191.01959	2.9
194.93697	2.8
206.99626	1.1
209.98901	1.1
225.00716	4.9
225.89381	1.0
231.57645	1.0
255.23334	6.5
268.97482	1.5
282.99066	1.3
293.21265	3.1
299.04373	1.3
324.99344	0.9
343.01108	3.7
483.27042	5.3
502.90143	1.0
581.20612	1.8
581.30017	35.3
582.30225	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	581.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94624	0.9
59.01250	100.0
59.38250	0.8
62.67747	0.9
71.01260	1.8
71.57433	1.4
78.95774	10.9
78.98460	1.9
79.95610	5.1
80.96389	22.6
82.00630	0.9
85.02811	8.3
94.97948	5.3
96.95892	79.5
101.02305	1.1
106.17155	1.0
106.97931	1.3
122.97469	1.0
125.02353	1.2
134.97456	1.9
147.02943	1.6
148.99045	2.4
152.98450	1.2
152.99513	2.8
164.98567	3.4
171.10181	13.9
177.89668	1.4
191.01959	2.9
194.93697	2.8
206.99626	1.1
209.98901	1.1
225.00716	4.9
225.89381	1.0
231.57645	1.0
255.23334	6.5
268.97482	1.5
282.99066	1.3
293.21265	3.1
299.04373	1.3
324.99344	0.9
343.01108	3.7
483.27042	5.3
502.90143	1.0
581.20612	1.8
581.30017	35.3
582.30225	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	581.346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	11.9
69.03326	14.4
71.58250	3.4
78.95766	7.1
85.02827	3.3
96.95921	6.8
97.06431	3.3
111.08071	16.9
147.11664	6.0
152.99513	6.6
165.12743	5.7
169.12242	5.3
170.06650	2.7
171.10190	5.7
193.12206	3.9
197.11757	74.5
198.12015	4.0
199.13222	4.1
205.12212	5.4
209.15497	4.8
211.13277	5.8
215.10472	10.5
219.10007	7.0
221.15401	9.0
231.13831	16.7
233.11562	97.7
234.11861	3.8
249.14954	100.0
250.15175	5.7
251.16513	5.6
271.13141	11.9
271.22955	2.9
273.14673	5.7
275.19809	3.5
278.93723	3.5
291.19666	18.7
293.21283	10.6
309.20718	72.5
310.20737	4.2
313.17798	6.8
331.18808	11.2
400.51950	3.2
442.09982	3.7
463.65103	3.2
483.26102	7.2
576.05518	3.8
581.35156	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03200	1.4
56.92648	1.2
57.03335	1.4
59.01234	6.0
61.98707	1.9
71.01250	4.0
71.07327	2.4
78.95773	21.1
78.98445	4.3
79.95607	9.9
80.96391	49.8
85.02820	2.2
86.67654	1.5
87.00760	2.3
89.02304	5.9
89.96568	1.5
94.97973	9.6
94.98953	1.6
96.95896	100.0
101.02346	1.7
106.72975	1.3
122.97449	4.1
123.04414	2.1
125.02335	1.5
134.97453	3.0
136.93088	1.9
148.99017	4.3
152.98471	4.0
152.99493	8.2
164.98534	8.7
178.94150	2.9
194.89993	1.6
194.93661	5.2
206.99490	1.7
225.00732	11.0
255.23244	15.2
281.24939	2.8
282.98972	3.1
299.04462	2.8
324.27905	1.7
343.01099	5.6
483.27390	12.0
581.20831	3.5
581.29962	69.0
582.30249	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	5.0
60.01611	0.9
61.01677	0.8
61.98705	100.0
69.41110	3.4
71.01263	0.7
74.84784	0.3
78.95784	6.6
78.96215	0.5
78.98463	0.4
80.96364	2.5
82.95979	1.4
152.99529	1.8
154.99998	0.4
168.04268	0.4
224.06966	1.5
225.00769	0.8
225.07205	1.2
226.07434	0.7
279.23309	7.2
280.23630	11.9
281.23938	8.9
282.24197	5.8
282.27063	0.3
398.17477	0.4
504.31110	1.4
505.31512	2.3
506.31580	3.6
507.31812	12.9
508.32324	0.5
581.28687	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67935	0.4
59.01253	1.7
63.96105	1.4
69.03314	0.5
71.01250	7.9
71.60281	0.4
73.02824	1.6
78.95777	5.5
78.98466	6.0
79.95605	10.2
80.96392	75.9
81.03336	1.5
85.02807	3.1
87.00746	3.4
90.30058	0.4
92.93412	0.5
94.97962	16.7
94.98580	0.9
95.01266	0.9
96.95889	21.5
97.02850	1.7
99.00755	0.7
101.02313	3.5
106.97934	3.0
113.02380	0.7
122.97464	5.6
125.02357	3.5
127.03898	0.9
134.97467	5.8
136.99040	1.5
139.78061	0.5
143.35489	0.4
146.97461	0.6
148.99062	6.8
152.98509	8.6
152.99493	1.0
154.89781	0.5
164.98552	13.7
165.98907	0.6
178.94194	0.7
179.00235	0.5
182.99600	2.2
194.93723	0.7
206.99620	4.3
225.00708	21.5
226.00922	0.8
243.01770	1.8
250.96300	0.6
255.23265	2.5
281.24860	4.1
282.25143	0.6
299.04416	3.5
324.99796	0.5
343.00967	1.3
345.74313	0.5
483.27426	1.6
498.54639	0.5
581.29987	100.0
582.30273	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	3.5
71.01257	7.4
78.32217	1.4
78.95769	2.8
78.98458	6.1
79.95617	10.2
80.96388	68.6
85.02821	9.0
87.00739	3.2
94.97971	15.4
97.02814	2.0
101.02355	2.2
103.43664	1.3
106.97993	1.4
122.97426	3.6
125.02366	2.5
134.97470	4.1
136.98875	1.6
148.99066	6.5
152.98523	4.7
164.98517	13.1
191.01883	1.3
206.99686	2.5
225.00717	14.6
255.23366	1.7
281.24899	3.3
283.26492	8.6
299.04288	2.3
508.33978	2.7
546.09979	2.8
581.29962	100.0
582.30194	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	581.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83017	9.6
59.01247	68.2
61.98705	15.1
69.87482	53.7
71.01247	31.8
72.99188	13.0
75.00763	11.5
78.95770	70.4
85.02848	25.3
93.03348	27.5
96.95882	16.7
96.96835	14.7
115.50024	10.7
121.02822	34.1
131.04898	11.6
133.01343	13.0
134.24870	9.5
135.04428	19.7
147.04472	18.7
152.99510	42.0
175.38071	10.9
200.31543	11.1
233.15474	11.2
251.16504	77.0
253.09201	63.1
291.19705	13.5
295.44843	11.1
309.20709	100.0
324.01761	9.5
445.16806	12.8
447.19815	17.8
532.27020	18.4
545.29559	17.3
551.19855	13.3
581.20221	24.4
581.27844	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	5.0
55.14021	4.0
57.03317	14.4
59.01242	8.7
70.10535	19.7
71.01269	3.8
72.99187	5.5
85.02823	100.0
111.00780	12.1
113.88940	4.6
129.01836	6.3
130.77135	3.9
145.00087	4.6
147.02888	12.8
176.10342	3.9
191.01894	40.7
209.02824	5.4
211.13228	5.7
253.09247	12.5
260.13144	4.1
309.20822	22.3
485.50378	4.3
581.27209	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	581.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.5
57.03324	14.0
59.01254	14.8
61.98701	2.0
67.01754	3.1
69.42281	11.8
71.01254	9.9
72.01590	1.2
72.99177	5.2
73.02827	3.0
73.05261	1.2
75.00745	2.0
78.95789	2.1
83.01268	5.4
84.02056	2.2
85.02821	100.0
86.03172	1.9
87.00724	2.1
87.04404	1.9
89.02325	2.9
96.95898	2.1
101.02335	4.9
107.92626	1.3
111.00762	81.3
112.01134	1.7
121.02924	1.7
122.06036	2.1
126.99445	2.1
128.99208	1.9
129.01828	13.0
133.02826	1.2
134.03638	2.3
135.04393	1.7
137.02254	2.2
139.49252	1.2
141.01567	3.1
141.21780	1.3
147.02884	15.1
148.98666	1.7
149.34116	1.4
152.06999	1.3
152.34737	1.2
152.99513	2.0
154.99770	10.4
157.51199	1.5
166.26361	1.2
171.10301	1.6
173.00829	35.4
173.02325	1.8
174.01151	1.8
178.02599	3.2
179.03426	2.0
179.05659	1.3
182.23311	1.4
189.05496	6.0
191.01903	39.7
209.02931	13.8
209.11752	2.0
211.13139	1.6
239.11804	1.4
251.16473	4.2
253.09317	8.1
291.19699	3.5
309.20679	10.1
313.11942	3.0
326.06268	1.7
339.44116	1.4
345.17261	1.5
363.21869	2.9
370.05426	8.7
512.59296	1.6
539.27667	1.4
545.29669	1.7
581.27686	5.8
582.24329	1.6
607.56342	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	581.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42233	10.0
54.40389	11.4
59.01250	27.7
71.44572	12.5
71.44926	16.5
78.95809	10.2
81.19714	10.7
85.02814	100.0
85.03219	9.8
91.70658	9.5
111.00727	17.1
147.02919	17.2
157.26730	9.9
191.01892	32.3
197.11751	25.1
253.09314	24.7
309.20746	34.9
386.02383	11.6
581.27405	20.4
588.46027	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	581.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	4.7
57.03319	14.4
58.00468	2.0
59.01248	61.4
61.75435	0.9
65.82143	0.9
69.68699	6.6
71.00887	1.8
71.01255	24.6
72.99187	4.3
73.02818	10.0
75.13599	0.8
83.01246	5.7
84.02053	2.5
85.02818	100.0
86.03160	2.6
87.00746	2.2
89.02311	10.0
95.01286	1.8
99.00771	1.8
101.02312	15.0
103.00205	1.2
107.04898	1.7
108.37937	0.9
111.00761	21.4
111.01476	1.9
113.02325	9.1
115.00242	1.2
119.03382	3.6
124.01495	1.0
129.01822	10.4
133.02844	1.3
134.03607	2.3
135.04410	24.6
136.04695	1.2
137.02333	1.2
147.02892	15.5
154.99707	3.1
159.04448	1.4
161.04462	1.0
173.00827	10.6
173.05888	1.1
174.06702	4.8
175.07565	1.2
178.02649	2.8
179.03094	1.0
188.08365	2.0
189.05470	3.7
189.09134	24.6
191.01891	44.5
191.03624	2.2
209.02980	24.2
210.03230	1.3
222.24986	0.9
256.14682	8.4
258.16183	3.3
271.17050	3.8
274.15787	14.7
289.18042	4.6
326.06451	2.2
345.16986	1.4
370.05386	6.0
371.15262	1.2
394.03882	1.0
418.20023	6.2
433.22296	32.0
434.22559	4.8
436.20950	12.3
437.21460	1.8
451.23352	42.2
452.23672	4.5
478.22220	3.7
493.24432	16.3
494.24802	3.3
495.22220	2.5
519.22241	5.1
537.23383	56.9
538.23669	9.8
581.18799	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.8
57.03325	15.3
58.00485	0.5
59.01255	6.6
67.01763	0.8
68.99685	0.9
71.01265	5.3
71.45632	0.6
72.99176	6.1
73.02809	1.3
75.00739	1.3
75.94241	0.4
83.01252	3.9
84.02040	3.0
85.02822	100.0
86.03159	1.8
87.00748	1.0
89.02316	1.4
99.00756	2.0
101.02328	3.1
103.00253	1.9
109.02845	2.0
111.00765	31.2
112.01096	1.1
115.00241	1.7
121.02826	1.3
129.01842	11.6
133.01283	2.5
133.02853	1.8
134.03635	4.8
135.04419	4.3
137.02367	5.2
139.03902	1.9
147.02902	14.9
148.05202	1.5
150.03166	1.0
154.99789	3.4
160.01550	0.5
161.02333	2.5
161.05981	1.9
162.02954	0.6
163.02357	1.3
173.00845	12.9
174.01166	0.7
178.02631	8.1
179.03459	3.3
189.05508	13.1
190.05934	0.5
191.01912	47.0
192.02223	1.3
194.02214	0.6
209.02979	23.1
210.03247	0.9
223.06038	0.7
309.15173	0.5
326.06458	6.0
327.16113	1.2
345.17081	1.6
352.04401	0.7
370.05389	20.5
371.05756	1.7
371.15265	2.0
389.16177	0.6
581.19440	0.9
581.29810	0.6
582.21863	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	2.3
57.03041	0.8
57.03324	15.4
59.01243	6.3
59.32238	0.5
67.01765	1.0
70.10521	1.7
71.01244	4.7
72.99178	6.4
73.02816	1.1
75.00737	1.6
76.51836	0.5
83.01257	3.1
84.02044	2.5
85.02821	100.0
86.03152	1.7
87.00750	1.4
89.02325	1.1
99.00764	1.2
101.02338	2.4
103.00250	2.0
109.02823	1.0
111.00759	28.8
112.01054	0.9
115.00269	1.6
117.54839	0.5
121.02912	0.8
129.01819	10.6
133.01341	1.7
133.02859	2.2
134.03627	4.6
135.04414	4.0
137.02347	5.4
139.03889	1.6
145.01323	0.5
147.02890	15.8
148.05193	1.6
150.03094	1.1
151.03853	0.5
154.99728	3.6
160.01587	0.8
161.02396	2.4
161.06021	1.8
162.03175	0.5
163.02435	1.2
173.00829	13.9
173.23329	0.5
178.02644	7.8
179.03381	2.6
189.03784	0.5
189.05498	12.4
191.01895	51.7
192.02388	1.1
209.00983	1.2
209.02968	20.3
210.03377	0.7
296.51483	0.6
326.06433	6.7
327.15945	0.9
345.17047	1.6
370.05365	24.3
371.05627	1.6
371.14951	2.2
377.21042	0.5
558.20087	0.5
581.18927	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	5.1
59.01241	3.6
59.93599	1.5
63.02269	2.2
65.00182	6.3
68.99684	3.8
71.01236	3.5
71.57501	2.2
73.02792	1.2
75.00736	1.4
83.01245	4.2
85.02823	34.7
87.60921	1.3
95.01258	3.7
96.99203	1.9
97.02808	2.4
101.02259	1.3
106.00500	2.4
107.01278	7.8
109.02830	7.3
109.99960	3.4
111.00771	9.8
121.02757	2.2
123.00771	8.0
124.01560	2.7
124.98717	2.7
125.02357	6.6
126.99406	2.2
129.01819	3.6
133.02827	1.4
135.00793	1.9
136.98688	3.4
137.02289	2.4
139.00261	10.3
140.01054	1.5
141.01790	1.9
142.41521	1.6
143.04837	2.2
145.02765	1.9
147.02899	4.4
148.01553	2.6
149.02390	5.1
149.99509	2.2
151.00272	23.1
152.01025	3.5
153.01796	2.6
153.99026	2.9
154.99777	8.7
159.04424	2.7
161.02362	2.5
163.00290	5.1
164.01205	1.4
164.98199	3.3
165.99001	4.5
166.99760	3.9
168.00542	3.5
169.01328	9.5
171.04433	5.2
173.02292	2.0
177.01949	3.2
177.98914	4.4
178.99800	27.5
180.00368	2.1
181.98491	4.7
187.03970	10.2
189.01863	3.8
190.02528	2.0
191.01903	14.7
191.03444	2.3
192.00604	2.5
193.01273	4.1
194.99248	4.2
198.03116	1.7
199.03909	5.0
201.01761	2.7
203.03477	7.6
205.01422	2.2
205.05214	1.6
206.99228	2.5
208.00064	2.4
209.00909	2.7
209.02930	4.4
213.01645	1.9
215.03471	7.6
217.01381	3.0
217.04980	2.5
218.01939	1.6
219.02917	2.1
222.98711	2.2
227.03557	1.8
230.01944	1.5
231.02971	8.9
232.03661	5.6
233.04546	7.2
242.02179	1.7
243.02892	12.5
243.78224	1.6
244.03596	2.0
245.00848	2.6
245.04483	3.2
247.02417	1.7
257.00818	2.9
258.01718	2.2
259.02426	5.7
260.03140	1.7
261.03879	4.2
267.55170	1.5
270.01456	1.9
271.02478	18.8
272.02771	2.1
286.01093	3.4
287.01956	33.2
288.02652	8.0
289.03452	6.6
297.00418	4.2
299.01797	3.9
300.02509	2.5
301.03473	1.6
303.01440	3.2
314.00565	2.8
315.01450	100.0
316.01852	10.5
317.03024	2.6
332.01709	25.6
333.02356	13.2
385.07547	1.9
397.07843	2.1
401.07251	2.9
465.10019	2.8
493.09863	2.3
495.07657	2.1
519.07776	4.3
537.08832	39.1
538.09131	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	580.362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	14.5
68.46175	0.4
69.22958	0.5
69.48204	4.0
72.05305	0.4
73.31084	0.5
74.52620	0.5
78.95779	6.4
92.30273	0.5
96.95895	3.2
142.99414	0.5
148.48431	0.5
152.99496	2.1
160.78828	0.5
168.04189	1.4
204.95682	0.6
242.08009	2.3
255.23184	0.7
277.18451	0.5
281.24866	100.0
282.25195	8.1
506.32510	27.1
507.32709	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	580.362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75817	0.6
52.29443	0.7
59.01252	22.0
65.76746	0.6
66.43662	0.6
70.15852	2.8
71.01246	1.8
78.95776	23.4
79.95605	1.8
80.96393	8.5
83.62671	0.6
85.39937	0.5
94.97956	1.5
96.95883	10.1
101.09876	0.6
133.87926	0.6
152.98439	0.9
152.99536	3.6
164.98497	1.9
168.04216	2.6
187.03479	0.6
224.06909	8.8
225.00700	1.5
242.07991	1.8
255.23245	0.9
261.49844	0.6
281.24854	100.0
282.25238	8.2
429.17853	0.7
500.24081	0.7
506.32523	57.5
507.32913	7.7
519.03436	0.7
581.30048	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	579.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55517	0.3
59.01253	3.8
60.01574	0.6
61.01674	0.6
61.98704	100.0
69.28368	1.8
69.28784	0.7
72.44957	0.2
78.95779	2.3
79.97473	0.2
80.96337	0.3
82.96008	0.2
97.14765	0.2
152.99496	1.2
159.50255	0.2
169.46660	0.2
192.43999	0.2
242.07875	0.3
243.08394	0.4
277.21710	6.5
278.22064	10.3
279.22354	6.4
280.22610	3.7
287.16269	0.3
502.29599	0.7
503.29889	0.9
504.30234	1.6
505.30307	4.2
579.27673	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	14.2
69.59613	14.3
78.95777	72.7
85.38144	2.0
88.50185	2.0
125.09613	4.6
126.35580	1.8
152.99513	10.4
187.09802	3.8
225.89435	2.0
232.51418	1.6
250.88210	1.7
253.09267	14.4
255.23291	10.6
283.26431	100.0
284.26709	6.1
323.08875	2.4
408.02631	2.0
579.33191	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	579.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	4.5
55.76958	0.3
57.03321	3.9
58.00464	3.5
58.27005	0.4
59.01249	84.6
60.01582	0.6
69.03349	0.6
69.78699	1.4
69.79102	0.8
71.01251	68.9
72.01594	1.1
72.99180	4.1
73.02817	9.6
75.00749	1.1
83.01250	6.4
83.01690	0.5
85.02821	24.0
86.03167	0.8
87.00745	3.1
87.04416	0.7
89.02315	48.1
90.02642	0.5
95.01263	6.1
95.47504	0.4
97.02843	1.0
99.00754	4.3
99.34721	0.5
101.02319	38.6
102.02655	1.2
106.76604	0.4
111.00764	1.8
113.02326	23.7
114.02723	0.5
115.54946	0.4
119.03385	21.1
125.02322	0.8
129.01833	3.2
131.03421	2.2
143.03380	3.8
149.04463	1.1
159.02908	2.0
161.04460	13.1
179.05513	9.1
191.01947	0.7
198.48111	0.4
255.19751	0.8
345.26318	0.4
399.23721	0.8
417.24930	33.4
418.25305	3.2
444.15939	0.4
579.30194	100.0
580.30530	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	579.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93846	0.7
57.03274	0.7
59.01249	15.8
61.98706	7.5
63.96128	1.1
69.03310	0.5
69.38860	5.4
71.01250	8.2
73.02834	1.6
78.95781	7.5
78.98465	6.9
79.95607	11.9
80.96391	71.4
81.03326	1.1
83.01265	0.6
85.02838	3.0
87.00745	3.3
91.03934	0.7
94.97961	16.7
96.95888	1.1
97.02818	1.1
100.22407	0.6
101.02324	2.2
106.97965	3.3
122.97442	3.0
125.02332	2.2
134.97491	4.4
136.99039	1.6
148.99062	6.1
152.98495	5.0
152.99538	2.8
155.81319	0.5
164.98550	11.4
166.99982	0.7
168.04237	1.2
206.99619	1.6
224.06793	1.3
225.00700	13.7
236.88950	0.7
242.07944	2.5
271.86151	0.6
279.23318	2.6
281.24847	93.2
299.04434	3.3
342.12714	0.6
506.32510	25.9
572.52063	0.7
579.28436	100.0
580.28741	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	579.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16416	10.6
59.01241	26.5
61.94551	9.9
68.85452	9.9
69.34444	100.0
78.95767	30.4
79.50862	8.8
79.95622	17.4
85.02821	24.7
93.03337	13.4
96.95898	9.2
111.00767	21.5
164.43460	11.5
232.86740	9.9
289.18277	24.2
307.19153	36.3
397.06155	12.1
579.25104	56.6
580.25262	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	579.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	43.7
70.58109	40.0
70.58516	39.0
71.01248	40.8
78.95764	100.0
79.95629	18.1
85.02802	76.7
98.20273	24.1
111.00758	43.1
128.63672	18.1
152.99454	26.4
161.63783	17.9
173.00821	32.2
174.01550	26.7
174.65442	20.7
253.09416	22.4
289.18146	44.9
291.10898	18.9
307.19168	40.8
355.67059	17.3
469.16211	18.4
579.25311	66.4
580.26001	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06456	0.3
57.03336	0.5
59.01250	100.0
60.01595	1.1
71.01263	0.9
71.34544	0.5
73.80862	0.3
74.38565	0.3
78.15591	0.3
84.93947	0.3
85.02823	4.4
87.12360	0.3
88.06191	0.3
89.02337	0.5
93.03329	0.3
93.04559	0.3
96.95886	3.1
111.00787	1.2
113.63822	0.3
121.02883	0.8
126.90325	0.6
129.01855	0.9
145.02820	0.4
147.02899	0.5
149.04517	0.4
150.32301	0.3
161.04428	0.4
163.04010	0.4
172.05219	0.5
173.06003	0.8
175.03902	1.7
190.06346	0.9
191.01892	2.4
204.28624	0.4
209.03001	0.7
222.05374	1.1
227.03497	0.9
235.07681	0.5
239.07196	0.5
251.07254	0.6
253.08791	0.7
255.02983	1.5
257.04541	0.4
263.07172	2.1
264.07935	0.4
267.06705	0.6
269.08279	1.7
278.09525	0.4
279.06799	1.4
281.08163	3.4
283.09848	0.3
284.03293	1.5
285.03970	2.2
286.04361	0.3
291.06653	0.7
293.08176	0.9
294.08984	1.5
295.09787	0.6
296.07074	0.4
296.10492	0.7
297.07724	7.8
297.11063	0.6
298.08093	1.0
307.09750	0.4
308.10648	0.9
309.07773	11.3
309.11316	2.8
310.08124	0.9
312.10046	7.8
312.13470	0.5
313.10489	0.7
323.09201	2.5
324.09995	8.6
325.10812	0.6
325.14548	1.2
327.12366	37.8
328.12695	3.9
339.12357	33.5
340.12741	3.4
343.15430	0.7
369.13495	0.9
387.14453	2.9
579.13208	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	579.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11829	0.6
54.91458	0.6
57.03308	0.7
58.00459	1.8
59.01250	31.9
59.77005	0.7
71.01253	23.5
71.04893	0.7
71.56967	1.1
72.99184	2.6
73.02795	0.9
75.00742	4.6
75.66763	0.6
79.64655	0.8
83.01254	0.8
85.02828	4.1
87.00761	1.4
89.02318	31.8
89.44147	0.7
101.02322	16.5
108.31440	0.6
110.78548	0.6
110.98020	0.7
113.02334	10.6
115.03900	1.6
119.03399	14.9
121.02815	1.4
131.03387	1.3
133.04964	4.7
143.03407	2.1
144.96667	0.7
149.04459	1.1
161.04462	1.5
179.05547	2.1
237.06122	3.2
273.90515	0.6
295.10345	100.0
296.10721	5.4
308.84619	0.7
539.18378	0.8
579.19208	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	578.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	24.6
59.44598	0.4
66.49397	0.4
71.01250	3.0
71.28136	0.4
71.28484	0.9
73.02811	0.8
74.94004	0.5
78.95309	1.1
78.95774	23.9
78.98459	2.2
79.95612	3.9
80.96391	26.7
85.02830	1.6
85.10799	0.4
87.00751	0.9
94.97960	5.5
96.95895	8.0
97.02807	0.7
101.02328	1.3
106.97986	1.1
122.97449	1.8
125.02315	1.7
127.03886	0.6
134.97502	2.3
136.99016	0.5
148.99063	2.7
152.98441	2.2
152.99599	2.1
164.98549	4.0
168.04257	3.3
169.12239	0.4
182.99690	0.6
184.62666	0.4
206.99651	0.7
222.33450	0.5
224.06906	9.2
225.00700	7.2
242.07915	2.0
243.01729	0.7
271.44080	0.5
279.23291	100.0
280.23663	9.1
293.21631	0.5
299.04361	1.2
345.46841	0.4
504.30972	58.1
505.31360	8.6
578.27600	0.6
579.28406	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1721
Annotation	5,7,4'-Trihydroxyflavanone 4'-O-rutinoside
Peak:m/z	Relative Intensity
50.78810	2.0
55.90492	2.0
59.01259	14.6
65.00192	14.8
69.50063	20.0
71.01270	12.8
75.00771	2.6
78.95794	17.3
83.01245	7.1
83.04899	4.1
85.02832	4.8
87.00745	2.4
88.83448	1.9
89.02309	6.4
93.03339	5.6
96.95876	5.4
96.96818	3.6
101.02292	7.4
107.01279	29.4
113.02321	5.6
119.03426	3.2
119.04919	51.6
122.33048	2.5
125.02316	3.3
128.03395	3.9
143.04559	2.3
145.02829	5.1
151.00284	100.0
151.01512	4.7
152.99458	9.8
161.04419	2.7
165.01816	3.3
169.01297	5.6
171.10155	8.2
177.01817	7.3
187.03928	3.3
209.11674	2.8
211.13316	5.6
229.14346	3.5
235.02489	3.2
236.22469	2.8
237.14865	5.0
249.14838	2.7
253.09285	18.2
255.15866	5.7
271.06119	68.9
272.06390	7.4
272.09015	4.2
285.16943	5.9
343.17441	4.1
343.21259	57.6
459.11557	24.5
531.18066	4.3
533.76379	3.6
579.17096	86.8
579.30804	5.5
580.17456	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	578.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	16.0
63.53009	0.4
67.21731	0.4
71.01248	1.2
71.57252	0.5
75.00732	0.4
78.95776	8.1
78.98456	0.7
79.95616	1.4
80.96391	9.4
85.02812	0.8
87.00794	0.4
93.08875	0.3
94.97958	2.1
96.95907	0.7
101.02353	0.5
106.97943	0.8
121.02847	0.4
122.97465	0.8
134.97466	0.5
148.99031	0.5
152.98431	0.8
152.99496	1.5
164.98524	2.0
168.04204	1.6
182.00568	0.4
182.99449	0.4
199.06615	0.4
199.10312	0.4
206.99580	0.5
209.11746	1.3
210.12161	0.6
211.13422	0.4
211.64360	0.4
224.06883	0.8
225.00645	2.8
226.16441	0.4
242.07980	2.7
279.23285	100.0
280.20712	0.6
280.23642	10.3
294.21509	0.4
440.07629	0.4
473.28928	0.5
504.30966	25.7
505.31262	4.1
543.97308	0.4
578.27197	3.9
579.28290	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04052	0.7
59.01252	3.3
61.98729	0.7
71.01244	1.3
71.04887	1.0
71.58217	1.2
77.81582	0.7
78.95782	15.2
84.38457	0.6
89.02307	1.4
96.95917	1.7
106.60799	0.8
108.50870	0.8
108.77785	0.7
113.38374	0.9
113.99978	0.7
140.01111	2.0
152.99507	3.0
153.12779	5.5
155.14261	0.9
163.11180	0.8
165.11588	0.8
165.12729	4.6
170.05803	1.7
179.10704	3.4
181.12271	19.9
182.12607	0.9
192.11563	0.8
196.03748	2.4
199.13338	100.0
200.13722	4.4
214.04831	4.9
215.12854	3.8
245.09991	0.7
293.21185	2.7
340.19846	1.7
363.25378	7.2
380.23151	1.0
381.26389	4.9
396.17920	21.5
397.18237	1.8
478.32187	0.8
518.28955	2.9
538.33038	0.9
578.31024	27.9
579.31488	2.3
598.42273	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04052	0.7
59.01252	3.3
61.98729	0.7
71.01244	1.3
71.04887	1.0
71.58217	1.2
77.81582	0.7
78.95782	15.2
84.38457	0.6
89.02307	1.4
96.95917	1.7
106.60799	0.8
108.50870	0.8
108.77785	0.7
113.38374	0.9
113.99978	0.7
140.01111	2.0
152.99507	3.0
153.12779	5.5
155.14261	0.9
163.11180	0.8
165.11588	0.8
165.12729	4.6
170.05803	1.7
179.10704	3.4
181.12271	19.9
182.12607	0.9
192.11563	0.8
196.03748	2.4
199.13338	100.0
200.13722	4.4
214.04831	4.9
215.12854	3.8
245.09991	0.7
293.21185	2.7
340.19846	1.7
363.25378	7.2
380.23151	1.0
381.26389	4.9
396.17920	21.5
397.18237	1.8
478.32187	0.8
518.28955	2.9
538.33038	0.9
578.31024	27.9
579.31488	2.3
598.42273	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13840	1.2
59.01259	2.0
69.44356	11.0
78.95775	34.2
83.66119	1.6
87.26900	1.2
88.87946	1.3
98.19707	2.3
140.01088	11.7
152.99498	11.6
153.12715	7.0
163.11171	1.6
165.12784	6.8
170.05740	2.2
179.10655	3.5
181.12267	16.1
196.03705	13.2
197.11713	2.4
199.13336	100.0
200.13693	4.2
214.04764	2.6
215.12817	5.3
363.25378	4.2
381.26657	1.5
389.00681	1.3
396.17899	46.3
397.18298	3.3
578.31012	44.6
579.31458	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	578.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.0
70.02844	1.5
70.87780	1.6
71.01249	1.4
73.02808	1.5
74.02343	29.4
77.51702	0.7
86.02350	1.5
93.03323	1.0
94.02873	2.0
96.04422	12.4
106.34175	0.7
107.04903	0.7
116.03424	9.3
123.04419	2.2
133.04971	2.7
155.01578	0.7
158.04498	2.7
158.06015	0.7
176.05569	46.3
177.05948	1.7
234.38544	0.8
282.09821	100.0
283.10211	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	577.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	2.8
69.77882	1.2
71.07839	2.7
78.95773	3.7
89.56322	1.3
98.51324	1.3
181.12294	2.6
183.66676	1.5
199.13359	2.5
207.10289	2.8
221.51596	1.2
225.11232	8.0
236.04082	1.2
243.12378	2.5
255.23311	2.0
277.21729	100.0
278.22122	7.2
299.15228	1.4
317.16043	2.4
393.90558	1.2
541.34625	1.3
577.29010	1.5
577.42938	29.5
578.43298	6.1
592.92407	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	577.4249
Annotation	3-demethylubiquinol-6
Peak:m/z	Relative Intensity
54.50550	3.5
59.01273	4.6
64.15961	4.9
71.58464	4.9
78.95792	4.8
87.08991	3.0
119.48227	3.6
164.79004	3.1
199.13266	6.2
225.11255	6.9
233.22847	4.2
255.23300	4.3
277.21722	100.0
278.22113	11.8
290.61057	3.1
367.04327	3.6
471.17813	4.0
577.42889	33.0
578.42603	8.7
599.27313	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	577.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	18.0
59.89639	2.2
60.84148	2.2
71.01247	3.1
71.20786	2.2
71.21113	3.6
78.95770	5.8
82.40419	2.3
94.75027	2.1
101.02299	2.5
152.99553	3.5
182.58141	2.3
212.32733	2.4
225.18613	4.1
253.09250	8.6
279.23267	3.1
281.24860	100.0
282.25061	7.6
415.78555	2.2
482.67264	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	577.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75121	1.0
55.01756	1.2
57.03311	3.0
58.89323	1.0
59.01252	15.7
61.98693	1.1
67.01749	1.0
71.01260	16.9
71.57230	1.1
72.99196	5.3
73.02820	2.6
74.02332	1.2
75.00751	12.0
76.23312	0.8
76.45505	0.9
78.95774	6.2
83.01263	1.2
83.04868	1.5
83.52298	0.8
84.02008	1.3
85.02343	1.7
85.02824	21.0
87.00756	6.1
88.98648	1.4
89.02327	4.8
89.40269	1.0
90.33326	0.9
93.03316	4.0
95.01277	4.3
95.38770	1.0
96.95872	2.5
96.96868	1.3
97.02811	0.9
97.06461	3.0
99.00760	6.9
101.02328	2.5
103.00270	2.5
108.51361	0.9
113.02328	21.3
115.00240	1.5
117.01827	2.3
121.02837	11.0
126.54984	0.8
137.02312	1.8
146.17079	1.0
152.99445	3.6
165.12791	1.1
167.14343	1.0
171.10208	7.3
175.02368	2.8
183.13832	2.9
185.11612	0.9
197.11670	1.2
209.11797	1.2
211.07878	1.1
211.13310	12.3
218.74614	1.1
221.11754	2.0
222.15022	1.1
223.07864	1.5
227.12621	0.9
229.14406	9.2
239.07121	6.7
249.06104	3.7
249.08995	1.1
253.09189	1.4
267.07254	5.0
279.10196	2.5
291.19626	2.2
327.21719	14.2
328.22003	1.2
341.19632	1.5
355.13492	3.6
367.13324	9.0
385.14441	7.7
415.15515	20.7
416.15833	3.9
517.27332	1.1
559.27734	1.9
577.28644	100.0
578.28815	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79549	1.2
56.54095	1.2
59.01240	8.9
69.38132	10.7
71.01255	8.8
73.02798	1.3
78.95778	5.7
78.98466	6.5
79.95599	11.4
80.96393	75.3
85.02807	2.5
87.00755	2.5
88.99029	1.1
94.97965	20.0
97.02831	2.3
99.00829	1.4
101.02300	1.9
106.97982	3.2
122.97493	3.6
125.02319	1.4
126.60477	1.3
134.97484	5.0
142.56348	1.5
148.99043	6.0
152.98503	6.6
153.75211	1.2
164.98540	10.8
191.24448	1.1
206.99680	1.8
225.00673	16.5
242.07890	1.4
277.21667	3.0
279.23276	57.4
299.04559	4.0
307.19781	1.2
353.26633	1.4
429.29810	1.5
504.31018	12.2
576.77905	1.6
577.26904	100.0
578.27130	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	577.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.6
63.96114	1.1
69.03329	0.7
71.01255	7.9
71.04486	1.0
73.02818	1.9
78.98461	6.6
79.95607	11.7
80.96390	79.8
81.03317	1.0
81.96342	0.4
83.01194	0.4
85.02818	2.9
87.00742	3.2
94.97963	17.2
96.95897	1.3
97.02821	1.9
97.68649	0.4
99.00759	0.7
101.02324	2.3
106.97983	4.2
113.02357	0.5
122.97468	4.2
125.02333	3.6
127.03901	1.1
131.92754	0.4
134.97484	5.0
136.99031	1.1
146.97490	0.5
148.99040	8.1
152.98538	7.1
152.99681	0.6
164.98537	14.1
167.00053	0.3
182.99663	1.6
188.98503	0.4
194.75381	0.4
206.99609	2.6
225.00696	16.4
243.01744	0.8
277.21631	2.0
299.04413	3.2
301.96552	0.4
338.82001	0.4
340.60141	0.3
382.81702	0.4
569.10736	0.5
577.26855	100.0
578.27209	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	577.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08148	0.3
53.76346	0.4
59.01251	1.5
63.96108	1.6
69.03339	0.7
70.57515	0.9
70.57909	0.7
71.01253	9.3
72.99160	0.4
73.02808	1.6
74.81579	0.4
78.98461	8.2
79.95602	14.0
80.96389	89.6
81.03334	0.9
82.43276	0.4
85.02825	3.7
87.00746	3.7
94.48660	0.3
94.97958	18.8
96.95885	1.4
97.02837	2.1
99.00762	0.6
99.04369	0.4
101.02324	2.8
106.85824	0.4
106.97968	4.3
113.02275	0.5
115.29923	0.3
122.97452	3.9
125.02351	4.1
127.03910	1.1
134.97475	6.6
136.99052	2.9
148.99036	7.2
149.86559	0.4
152.98538	7.7
164.98543	13.3
166.88351	0.4
206.99654	3.1
225.00691	16.1
226.00949	0.7
229.50121	0.4
277.21756	2.4
299.04401	3.8
468.83081	0.4
550.32056	0.4
577.26837	100.0
578.27167	16.8
580.62750	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87005	0.9
58.00472	2.7
58.54832	0.9
58.91205	1.0
59.01252	36.9
67.42510	0.9
70.59175	1.9
71.01258	34.7
72.99177	4.0
75.00752	2.5
78.95780	2.7
82.18311	1.0
83.01270	1.6
85.02831	3.7
87.00765	1.6
89.02321	32.7
95.01281	2.5
96.95847	1.6
98.19914	1.3
98.57813	1.4
101.02324	14.8
101.12952	0.9
108.02012	1.1
109.85740	1.1
111.54836	0.9
113.02351	11.4
119.03389	13.0
123.04407	6.7
128.03435	1.1
129.05446	3.5
134.25124	1.0
140.26093	0.9
144.71315	1.1
147.06549	6.3
149.04543	1.3
152.01082	2.0
161.04451	2.8
249.33733	1.2
263.11569	1.4
270.12393	1.1
309.11923	100.0
310.12286	7.0
429.10126	1.4
472.15927	1.8
577.16864	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47301	0.4
59.01239	1.3
69.27179	3.0
69.27589	1.1
71.01249	0.5
72.99175	8.1
75.00745	27.9
85.02807	0.8
96.95904	4.5
98.19824	0.9
101.02322	0.7
111.00742	0.7
133.04956	100.0
134.05284	3.5
137.57379	0.4
177.47380	0.4
191.01854	0.5
202.33275	0.4
289.82227	0.5
295.10321	1.7
324.16690	0.4
353.10812	0.4
415.15997	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18987	0.3
54.63013	0.3
56.36304	0.3
56.92465	0.3
57.03324	0.4
59.01253	7.5
61.40887	0.4
71.01259	2.0
72.99180	10.6
75.00745	100.0
76.01093	1.2
77.40780	0.3
83.01273	0.7
85.02821	3.1
93.03333	10.6
93.49608	0.3
94.03684	0.3
95.01243	1.6
95.04964	0.3
96.95910	0.5
97.02831	0.5
98.19806	0.6
99.00797	0.4
99.04384	0.5
101.02332	1.5
108.02071	1.0
111.00780	0.6
113.02324	1.6
119.04928	0.5
121.02846	1.1
122.50487	0.3
123.04408	6.2
125.02376	0.4
129.05486	1.9
133.04991	0.5
136.01578	3.2
137.02339	19.1
138.02673	0.7
143.03387	0.5
147.06531	51.0
148.06874	1.3
159.04413	0.4
205.04996	0.5
215.32700	0.3
223.74472	0.4
243.71257	0.3
253.09378	0.4
263.05582	3.9
281.06653	8.6
282.06958	0.5
323.07727	8.0
324.08170	0.5
387.10712	2.8
387.46838	0.4
429.11771	0.5
445.11401	6.1
446.11496	0.7
446.85394	0.3
447.12930	9.2
448.13266	0.9
489.43896	0.4
505.13528	24.0
506.13791	2.6
517.16675	0.4
577.19208	1.4
577.28442	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00950	1.0
59.01250	20.2
69.41059	5.5
71.01265	3.3
73.02829	0.9
78.95784	9.4
78.98469	2.1
79.95620	3.2
80.96393	21.8
85.02801	0.8
85.25195	0.5
94.97959	5.0
96.96880	0.7
98.19763	1.1
101.02325	0.7
106.97988	0.6
122.97464	1.7
134.97459	1.0
148.99055	1.1
152.98425	1.1
152.99507	1.9
164.98553	2.9
168.04199	1.4
210.12659	0.6
224.06871	1.3
225.00714	2.3
242.07957	2.7
277.21719	100.0
278.22076	9.2
288.63135	0.7
439.09045	0.7
502.29459	24.4
503.29688	2.6
577.26892	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	577.1197
Annotation	tricin 7-(6-malonylglucoside)
Peak:m/z	Relative Intensity
51.73599	3.9
59.01236	12.9
70.44189	13.0
71.01250	4.4
73.02805	5.3
74.18188	3.7
75.21077	3.0
85.02827	14.7
87.43373	3.8
88.96723	3.6
100.06054	3.5
101.02291	6.5
111.00788	25.4
112.95123	4.1
129.01820	3.7
165.01871	3.8
171.10091	4.8
173.00829	11.3
190.09033	3.7
191.01892	26.5
213.07823	4.1
242.02203	13.5
253.09572	3.5
254.02208	6.4
257.04556	9.1
269.04538	6.3
270.01740	8.5
271.02396	14.1
285.04019	15.1
298.00931	5.9
299.01929	20.8
313.03500	65.3
314.04260	32.8
328.05920	39.8
329.06659	100.0
330.06921	8.2
359.14740	10.0
381.71085	3.5
533.12915	34.0
533.29553	6.5
534.13287	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	576.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56368	0.7
59.01252	23.9
63.96114	1.4
68.37137	0.9
69.40878	5.7
71.01261	6.0
73.02810	1.0
78.95779	18.2
78.98460	4.6
79.95612	6.9
80.96393	54.7
85.02819	2.3
87.00761	2.7
94.97968	13.5
97.02840	1.4
101.02329	1.7
106.97977	2.0
122.97477	4.2
122.98299	0.9
125.02339	3.1
134.97502	5.5
136.99083	1.7
143.23395	0.8
148.99042	5.3
150.28612	0.8
152.98508	6.6
152.99542	1.5
158.97421	0.8
164.98550	9.5
168.04196	2.8
182.99577	1.6
206.99620	2.8
224.06894	8.5
224.98663	1.3
225.00685	14.9
242.07974	2.0
243.01813	1.4
246.44595	0.8
275.20145	1.0
277.21719	89.5
278.21970	6.4
299.04376	1.8
327.10379	0.9
502.29416	57.8
503.29947	8.1
577.26862	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	576.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44069	0.4
59.01246	2.1
61.98701	100.0
66.51894	0.4
67.39792	0.3
69.91901	1.2
71.01248	0.5
72.01592	0.4
78.95805	0.6
85.20638	0.4
101.02250	0.3
213.06526	0.4
219.94305	0.4
253.09375	0.9
254.09660	0.5
255.09923	0.4
277.21652	4.2
278.22055	6.7
279.22394	4.7
280.22604	2.5
293.21356	0.4
295.23117	0.4
519.39081	0.4
577.27197	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73371	0.4
59.01256	3.2
61.01683	0.6
61.98704	100.0
69.31022	4.2
71.01283	0.7
78.95798	0.6
80.96405	1.2
94.76405	0.4
98.20494	0.7
101.02316	0.6
116.68977	0.4
121.60695	0.4
135.99763	0.4
163.11304	0.5
167.16054	0.4
209.11774	1.3
253.09366	0.8
254.09682	0.7
255.09743	1.0
277.21729	4.9
278.22089	9.3
279.22342	5.6
280.22769	2.3
293.21411	0.6
352.74228	0.4
353.29050	0.4
577.26758	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	576.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.9
61.28673	1.6
67.28204	1.3
71.57589	1.5
78.95783	21.8
96.96832	3.2
108.81535	1.3
114.61990	1.4
122.00007	2.3
136.61026	1.5
140.01059	3.0
152.99495	30.9
196.03738	6.9
214.04707	1.9
265.35074	1.5
268.05991	6.9
275.15985	1.5
277.21735	100.0
278.22095	8.2
280.06070	1.5
298.06830	2.8
364.77759	1.7
474.26447	11.5
475.26529	2.5
544.45557	1.8
552.93805	1.8
576.29468	25.2
577.29156	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	575.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	12.6
70.33344	6.0
71.01254	3.3
78.95795	2.4
89.02334	3.0
98.02103	1.6
101.02328	3.1
112.80566	1.4
116.13739	1.4
235.08183	1.5
253.09186	10.3
279.23297	100.0
280.23596	8.1
316.76831	1.3
483.94754	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	575.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	4.2
57.83323	2.2
59.01253	100.0
60.65005	2.1
61.98710	5.4
70.57487	8.0
71.01248	13.4
73.02806	2.7
75.00765	2.4
78.95795	3.2
85.02821	8.8
87.00729	3.1
88.98700	5.9
89.02312	5.2
96.95895	30.0
98.19974	3.3
98.95467	2.5
99.92441	3.8
101.02325	7.5
101.33987	2.3
113.02321	4.4
115.91961	4.3
116.92750	16.5
171.10071	3.1
183.13725	2.6
185.11789	5.6
209.11646	4.0
211.13353	9.1
229.14240	3.5
233.11478	13.2
309.10287	6.1
309.20605	2.7
309.91220	2.7
314.79474	2.4
325.18112	3.8
327.25427	2.5
442.66058	2.4
471.33109	10.6
489.34140	7.4
515.27875	3.0
575.07361	2.9
575.34802	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	575.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77980	3.0
55.01751	4.2
57.03318	4.9
59.01254	66.2
61.98704	6.1
62.92092	2.8
71.00894	5.2
71.01256	68.4
71.16058	6.0
71.99732	2.5
72.99189	4.1
73.02819	11.4
78.95785	17.1
83.01243	4.5
85.02828	23.9
86.72430	2.8
87.00739	4.5
89.02317	37.9
96.95868	4.2
99.00768	5.5
101.02333	35.1
113.02351	16.2
119.03336	3.4
125.02351	4.4
131.03383	21.5
136.49524	3.6
143.03368	3.4
149.04492	18.8
152.99527	8.9
161.04440	20.8
170.04980	2.9
198.63249	3.1
208.28104	3.3
233.06612	3.4
253.09309	4.1
275.19882	3.5
293.21185	11.0
370.50174	3.3
383.24274	18.5
490.25836	3.6
493.26990	4.5
515.28650	100.0
516.28784	12.1
518.41132	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	575.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32549	0.1
59.01247	0.8
66.38675	0.1
70.27963	0.1
71.01257	0.5
71.06548	0.3
73.02805	0.2
75.00707	0.1
78.95731	0.1
79.95161	0.2
79.95609	2.9
83.40870	0.1
85.02822	0.5
86.02341	0.2
87.00748	0.1
87.49834	0.1
89.02347	0.3
96.95889	100.0
97.95823	0.4
101.02332	0.4
111.00752	0.2
119.03435	0.2
121.02824	0.2
128.03462	0.7
142.98996	0.2
165.01862	0.2
171.07686	0.2
173.00848	0.2
179.46509	0.1
201.11247	0.3
209.02983	0.2
249.05495	0.4
271.02493	0.3
285.38916	0.2
299.02023	0.3
301.54477	0.2
314.04440	0.4
315.05185	0.2
327.16159	0.2
413.01926	0.9
471.20267	0.2
477.10416	0.5
489.20898	0.2
531.28412	0.7
575.20465	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86241	0.9
53.56221	0.8
57.03299	0.9
59.01244	2.8
60.13726	0.7
60.38940	0.8
61.98689	0.8
62.96282	0.9
71.50037	1.5
78.52039	0.8
78.95780	30.4
80.97365	0.8
89.26323	0.7
96.96852	2.6
113.09599	1.9
140.01118	3.7
152.99521	6.5
171.00523	1.6
179.14404	1.0
195.13846	21.2
196.03700	5.6
196.14162	1.0
214.04858	4.5
236.03014	2.5
246.21461	0.7
258.50955	0.8
277.21716	16.3
278.22095	1.2
280.02008	1.2
295.22791	100.0
295.98532	1.0
296.23126	7.7
308.46613	0.7
397.16287	2.2
492.27332	63.5
493.27695	6.9
514.24005	4.6
574.21008	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.0171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.0
59.01247	8.0
65.00191	1.2
70.90697	1.5
70.91041	0.9
71.01255	5.3
72.99189	1.1
73.02783	0.6
74.07045	0.6
77.42163	0.6
77.76652	0.8
78.95769	0.9
80.96383	1.1
83.01250	1.2
85.02827	2.7
89.02296	5.3
95.01292	0.7
96.95900	4.0
101.02306	3.2
107.01271	1.6
111.00804	0.8
113.02264	1.7
119.03323	1.2
119.04913	0.7
125.02249	1.1
129.63858	0.7
150.50984	0.8
151.00253	6.8
153.00056	0.9
163.04056	0.8
164.99976	1.3
173.00758	0.8
178.97958	1.3
179.98811	2.4
180.99538	2.6
186.93677	0.7
204.99532	1.1
206.97531	1.7
209.02962	1.0
209.11681	1.1
241.00150	1.3
243.01176	2.2
247.00739	1.7
255.02994	1.0
259.00668	1.5
261.96405	0.8
271.00739	3.2
272.98557	1.3
287.00122	3.6
297.99396	0.8
300.02679	2.7
307.10425	1.6
313.98859	8.8
314.99673	95.7
316.00043	7.5
333.00784	6.9
334.01123	0.8
369.08447	0.8
370.08936	1.5
475.20486	0.7
495.06024	100.0
495.92456	0.7
496.06302	10.7
573.71857	0.8
575.01617	7.5
576.01740	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02849	6.3
59.01257	2.2
66.03354	1.4
71.57848	1.6
72.00784	1.4
74.02346	13.5
75.13537	1.1
78.95779	4.4
82.02863	1.2
85.02833	1.6
86.02338	4.9
86.98991	1.2
87.05536	3.7
90.00118	1.4
96.95927	1.3
97.03942	1.4
99.05511	11.0
101.07126	1.4
102.05520	1.8
106.72301	1.2
109.03958	1.9
111.05538	1.2
113.03476	1.2
121.15559	0.9
123.05605	1.2
125.03471	1.5
127.05017	2.4
128.03427	31.2
135.05533	3.5
141.06602	1.9
143.04523	44.3
145.06255	1.2
146.04565	2.4
152.99516	1.2
153.06589	2.6
155.58543	1.0
160.00674	11.5
166.09785	2.1
167.04556	3.8
171.10155	1.5
177.03349	3.2
179.04567	10.1
181.06154	1.5
185.05629	1.1
197.05708	1.0
210.08728	7.7
249.14793	1.4
254.07835	11.3
257.18912	1.0
272.08878	17.2
288.06641	7.7
288.52209	1.2
306.07666	100.0
307.07980	6.2
307.11047	1.0
349.25787	1.0
409.14609	1.0
574.25519	2.2
575.27106	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	574.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20343	0.7
62.96261	1.6
65.07099	0.9
65.61394	0.6
66.31669	0.7
68.47260	0.7
69.12473	0.7
78.95775	100.0
84.12335	0.7
96.95869	5.2
96.96829	6.1
98.20574	1.6
98.95458	4.2
98.96108	0.9
99.92455	15.3
100.90366	1.4
109.40733	0.7
114.94825	8.4
115.91959	13.9
116.91965	1.3
116.92738	7.6
122.00043	0.9
126.24285	0.7
140.01089	2.0
141.95932	14.4
150.97942	3.6
152.99496	61.6
163.89656	1.1
168.01382	0.8
171.00552	2.0
178.88344	2.2
179.89136	23.1
180.89963	9.1
181.90660	3.2
192.00626	1.6
194.02222	1.5
196.03723	1.4
196.89423	40.6
197.89455	2.5
204.92340	2.1
205.91080	1.3
205.93115	5.0
208.89386	1.1
222.93390	0.9
223.94171	2.5
229.71162	0.9
235.91750	6.8
236.92523	2.6
237.93298	1.0
245.28316	0.8
252.92143	1.5
277.21719	14.1
277.95300	3.9
278.22012	1.7
279.96783	1.1
412.71075	0.8
431.21823	4.2
457.10938	1.1
472.24481	1.7
497.14191	4.5
498.14456	0.9
513.13562	1.2
514.14276	5.9
515.14966	0.9
531.14886	1.4
538.16571	10.0
539.16425	1.3
556.17688	6.6
557.18134	1.1
570.15613	2.3
574.18756	18.6
575.18829	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	573.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66345	6.9
59.01252	100.0
59.94721	4.9
69.27808	33.0
69.28238	25.2
107.73418	5.4
110.97070	5.4
145.37698	6.3
199.13370	15.0
201.11272	19.0
203.17880	6.0
225.11275	17.7
255.23317	68.9
306.82620	6.0
328.14322	5.3
393.73773	6.2
555.39203	9.8
572.26349	7.0
573.40100	52.0
574.40289	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	573.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92082	0.4
55.01770	1.0
56.84251	0.5
57.03322	8.8
59.01252	7.1
63.85192	0.4
63.90538	0.5
66.27596	0.4
68.99692	1.0
71.01252	12.2
71.58024	0.8
72.99168	3.9
73.02823	1.0
75.00749	2.6
78.95788	0.7
83.01247	2.4
84.02035	1.6
85.02822	73.3
86.03171	1.5
87.00751	1.7
89.02322	3.9
93.03375	0.6
96.25225	0.5
96.80049	0.5
96.95892	1.2
98.20343	0.5
99.00753	0.9
101.02315	1.4
103.00259	1.7
109.02770	0.4
111.00765	4.8
113.02271	0.6
115.00225	1.3
120.01104	0.5
122.39668	0.5
124.94653	0.4
128.03445	0.5
129.01822	8.9
133.01332	5.5
138.05522	0.8
147.02901	5.4
147.06432	0.7
173.00858	2.8
177.70551	0.4
187.07567	1.9
191.01906	31.7
192.02298	0.8
202.06335	1.3
203.08167	1.6
209.02965	100.0
210.03264	2.5
215.06981	1.7
231.10172	1.3
337.14432	2.1
338.14099	0.5
353.11450	0.5
381.13348	0.9
426.17267	0.5
431.16245	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.0
57.03324	8.0
59.01244	7.1
68.99680	1.5
71.01251	10.7
71.57146	0.4
72.99171	3.0
73.02810	0.7
75.00753	2.6
78.95744	0.5
83.01258	1.9
84.02031	1.8
85.02823	71.1
86.03164	1.3
87.00762	1.9
89.02319	4.2
90.11952	0.3
93.03323	0.7
96.95895	0.8
98.68864	0.5
101.02310	1.0
103.00244	2.0
105.35719	0.4
111.00763	5.8
113.79566	0.4
115.00268	1.3
128.03436	0.5
129.01826	7.4
130.02084	0.4
133.01328	4.8
147.02896	6.1
152.99460	0.4
165.80469	0.4
173.00845	1.9
173.05934	0.7
187.07552	1.5
191.01898	29.2
192.02277	1.0
202.06351	1.2
203.83444	0.5
209.02968	100.0
210.03320	3.4
215.06990	0.9
231.10185	1.2
337.14331	1.8
381.13351	0.5
397.96286	0.4
450.51367	0.4
573.15607	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	4.5
61.54187	1.0
65.46191	1.1
69.37219	1.6
69.37620	9.9
78.95779	51.2
96.95882	2.1
96.96877	1.3
98.20645	1.4
121.02826	2.0
122.00021	2.1
140.01067	9.3
152.99516	6.9
171.10150	2.2
193.12335	2.7
195.13837	13.6
196.03757	20.0
196.14439	1.1
211.13342	1.7
214.04784	4.0
223.13374	6.9
236.03011	3.6
275.20172	6.4
280.02048	1.5
293.21243	60.6
294.21469	6.8
368.11008	1.4
475.15353	4.4
490.25754	100.0
491.25955	10.7
512.23260	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	572.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	9.7
61.98700	1.5
69.70321	8.1
71.01234	2.0
71.28947	1.3
78.95779	48.2
79.12782	1.3
113.09627	4.0
115.48474	1.2
122.00060	2.4
129.72098	1.3
140.01074	12.7
149.13232	2.7
152.99478	5.1
164.76108	1.3
171.10152	2.1
175.02411	3.7
177.16292	1.7
193.12273	18.4
196.03752	21.4
214.04791	5.9
231.21080	6.1
236.02924	1.7
241.41301	1.3
257.19049	2.2
275.20151	15.0
293.17987	2.5
293.21219	36.2
294.21588	2.3
307.18741	1.6
490.25760	100.0
491.25882	11.7
512.22571	4.5
573.18951	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	572.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	4.5
61.54187	1.0
65.46191	1.1
69.37219	1.6
69.37620	9.9
78.95779	51.2
96.95882	2.1
96.96877	1.3
98.20645	1.4
121.02826	2.0
122.00021	2.1
140.01067	9.3
152.99516	6.9
171.10150	2.2
193.12335	2.7
195.13837	13.6
196.03757	20.0
196.14439	1.1
211.13342	1.7
214.04784	4.0
223.13374	6.9
236.03011	3.6
275.20172	6.4
280.02048	1.5
293.21243	60.6
294.21469	6.8
368.11008	1.4
475.15353	4.4
490.25754	100.0
491.25955	10.7
512.23260	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	571.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20472	2.5
59.01250	100.0
61.98702	7.6
69.87621	16.2
71.01264	14.1
71.81274	3.6
72.99161	2.7
73.02813	5.0
73.31627	3.0
75.00737	4.7
78.95779	9.4
85.02801	23.8
92.30576	2.8
96.95881	10.2
101.02319	6.7
110.98410	3.1
112.26502	3.7
113.02313	6.3
120.73554	2.6
152.99477	6.7
162.95279	6.6
171.10150	11.2
181.99840	2.7
197.11815	3.3
209.02911	3.8
209.11754	12.5
211.13364	3.4
275.12680	23.7
293.21109	7.5
384.23349	3.9
467.30090	11.0
490.25436	5.3
571.27039	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	571.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	3.5
59.01249	100.0
61.98703	6.3
69.28473	4.3
69.28879	16.3
71.01257	14.1
72.99177	1.7
73.02813	2.6
73.98048	1.7
75.00786	2.1
78.95747	1.8
83.01268	3.3
85.02818	14.0
87.00762	2.6
89.02340	2.3
98.19986	8.4
101.02346	4.4
105.00972	1.9
107.03354	1.8
110.03635	1.9
113.02323	5.6
129.01830	2.2
161.04460	5.8
171.10139	5.0
209.03076	2.4
209.11789	2.9
241.87482	2.1
273.42014	1.8
297.44928	2.3
302.70114	2.0
389.71280	1.7
467.30267	15.7
468.30447	3.6
485.31049	7.9
485.41431	1.9
500.81689	2.4
571.23492	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	571.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
61.98709	11.1
69.43073	35.9
71.01250	26.8
73.02821	9.1
78.95781	11.4
83.01260	6.8
85.02814	27.8
87.00758	5.1
89.02317	13.1
96.95892	10.3
98.19820	11.4
101.02335	19.3
103.03437	4.7
108.78246	4.7
110.98399	5.0
111.00798	4.3
113.02332	11.3
116.92748	10.4
152.99548	4.9
161.04442	7.2
171.10121	13.0
185.02505	4.3
197.11780	6.5
209.11807	24.1
210.23291	4.4
251.20107	5.2
252.20383	6.7
295.19122	6.4
296.19022	5.0
297.19824	8.1
366.16833	4.9
382.18549	4.5
398.94516	5.5
403.23874	11.2
437.25375	13.8
465.28552	9.0
469.84750	4.5
479.26611	5.7
571.26251	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	571.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17456	0.4
50.58901	0.3
51.26581	0.4
53.85876	0.4
54.46141	0.4
55.34880	0.4
59.01262	0.5
59.37791	0.4
62.96271	0.5
70.80254	0.4
71.06477	0.5
71.06801	0.7
78.95778	72.5
92.79704	0.5
96.96844	7.9
99.90569	0.5
130.75151	0.5
150.97900	1.8
152.99492	100.0
153.99794	1.5
171.00568	2.2
216.12862	0.4
222.49854	0.4
241.01210	3.3
255.23273	14.5
256.23593	1.3
315.04883	0.8
356.58694	0.5
391.22745	0.9
403.80826	0.4
409.23593	35.3
410.24030	3.1
451.24503	0.8
481.26193	0.4
511.26749	1.0
524.70892	0.4
571.28900	18.7
572.29254	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	571.312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	8.2
59.01256	100.0
67.22874	7.1
71.01236	18.7
71.57841	9.9
78.95786	12.9
80.96372	8.4
85.02805	31.9
90.18445	7.7
97.06461	16.0
101.02313	11.3
120.19373	8.2
123.01433	7.6
125.09598	56.8
152.99396	8.8
159.57275	7.4
171.10161	34.2
177.55797	8.8
187.09714	46.1
192.96851	7.9
209.11757	29.5
211.13437	8.3
229.14316	9.1
235.54291	7.6
261.13434	10.0
327.21622	21.1
476.50400	8.2
485.30841	10.6
571.26917	10.3
571.35669	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2887
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
54.18103	0.7
54.38927	0.7
69.48122	2.2
69.48547	4.3
75.00742	1.6
78.95777	100.0
79.65427	0.8
96.96839	22.7
116.22178	0.7
116.87227	0.8
134.98381	0.8
136.38898	0.7
141.30626	0.7
150.97906	2.0
152.99495	93.1
153.99873	1.6
171.00592	1.2
177.00674	0.8
223.00114	2.3
229.88689	0.9
241.01158	40.0
242.01509	1.5
255.23276	94.7
256.23569	7.8
315.04889	11.8
316.05264	0.8
333.05383	0.9
360.05588	0.7
367.81116	0.8
391.22595	6.6
409.23730	4.5
571.28888	92.6
572.29248	12.4
572.37964	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57007	1.0
54.56538	1.1
56.62239	1.1
56.83994	1.1
62.96332	1.1
69.31425	10.5
73.25447	1.0
77.30969	0.9
78.95773	73.1
96.96842	16.2
111.47089	1.0
113.61040	1.0
126.99393	1.3
152.99492	68.0
153.99780	1.5
195.18391	1.2
223.00020	2.2
241.01164	34.5
242.01645	1.3
246.15866	1.1
249.83751	1.1
255.23273	81.4
256.23639	4.7
280.29898	1.0
308.67520	1.3
315.04800	10.1
336.63498	1.0
352.71857	1.1
391.22549	4.8
401.24820	1.1
439.75031	1.2
571.28888	100.0
572.29022	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	571.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94776	0.6
59.01253	0.8
63.64180	0.6
70.44328	2.2
78.22546	0.5
78.95775	73.2
96.96837	14.6
117.92122	0.6
135.97752	0.6
150.97964	1.3
152.99486	63.0
153.99840	1.2
162.44353	0.7
182.43697	0.6
186.86459	1.6
223.00087	2.3
241.01137	35.0
242.01439	1.6
242.89063	1.3
255.23257	77.1
256.23575	5.7
315.04831	9.8
334.93942	2.1
391.22583	6.4
571.28851	100.0
572.29144	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	570.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86578	1.0
57.03325	2.3
57.76753	1.3
59.01251	4.4
69.70064	2.9
69.70480	5.3
78.95778	31.2
78.96216	2.1
97.06524	1.3
105.66769	1.1
113.09598	4.2
124.89223	1.1
144.04539	1.2
146.08159	3.7
152.99466	4.0
164.05173	1.2
168.04195	4.5
171.10135	6.0
176.57887	1.1
177.76015	1.2
181.12358	1.2
195.13850	19.0
224.06841	10.3
242.07965	4.8
270.96631	1.2
277.12302	4.3
277.21735	22.1
278.12607	2.4
278.22064	1.4
293.21219	16.2
294.21484	1.2
295.22778	80.3
296.23126	5.6
465.17764	1.1
508.18411	1.3
518.28912	6.6
520.30414	100.0
521.30676	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	570.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10690	0.5
56.28696	0.5
57.03323	0.6
57.86323	0.5
59.01244	2.3
61.98691	2.0
69.54118	2.3
69.54543	1.8
78.95776	12.2
83.04890	0.6
86.52103	0.5
99.08076	0.5
100.00355	0.5
107.39143	0.6
113.09602	2.4
116.78212	0.7
125.09676	0.6
152.99480	2.9
162.51915	0.6
168.04234	2.3
171.00673	0.5
177.12724	0.6
179.14331	0.9
181.12215	0.6
195.13844	22.0
196.14183	1.4
209.11801	0.8
217.07285	0.6
224.06944	0.9
242.08000	4.1
251.23706	0.8
277.21722	19.5
278.22086	1.9
295.22781	100.0
296.23160	8.4
520.30438	67.7
521.30725	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	569.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01583	0.9
60.62006	0.3
61.98705	1.0
62.24221	0.3
70.01736	1.2
70.02127	0.6
71.01262	0.9
78.95788	0.4
85.02815	0.6
89.02319	0.5
96.95869	0.3
101.02362	0.5
113.02379	0.5
119.03387	0.4
125.09610	0.4
161.04480	0.6
171.10182	0.7
187.09700	0.4
217.35077	0.3
243.12320	0.3
280.25204	0.3
301.97250	0.3
328.87527	0.3
449.29221	0.4
467.30008	0.3
481.61285	0.3
569.30243	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
61.98697	1.0
71.58009	1.0
72.16853	1.1
78.95754	3.2
87.82820	1.1
88.28743	0.9
90.27631	0.9
96.95868	2.0
96.96846	1.3
101.02296	1.5
125.09599	1.5
152.99460	2.0
154.03966	1.0
157.17334	1.3
157.54335	1.0
171.10222	3.5
251.29359	1.0
263.16614	1.6
293.21106	2.2
353.35480	1.1
569.33038	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01578	0.9
71.01249	1.9
73.02818	0.7
73.80983	0.4
78.95783	2.4
79.95622	0.5
80.96384	0.4
83.01264	0.6
85.02827	1.3
87.00802	0.4
88.45325	0.4
98.19746	0.8
98.20429	1.7
99.00741	0.4
101.02314	1.7
110.87083	0.3
113.02294	0.4
119.03408	0.4
143.03456	0.6
152.99500	2.5
161.04494	1.0
171.10207	0.5
199.13365	0.5
201.11293	0.5
225.11246	0.4
241.01286	0.9
243.12430	1.0
253.21729	1.9
291.19769	0.4
309.20578	0.5
569.26886	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	3.5
59.01251	100.0
61.98710	4.9
71.01250	18.9
71.57868	2.0
73.02819	5.2
78.95770	3.6
83.01242	3.7
85.02814	16.5
85.38287	1.7
89.02332	8.3
93.03346	2.4
95.17162	1.7
96.95889	4.1
101.02335	8.0
111.00768	2.7
113.02349	8.3
152.99481	2.0
171.10173	6.1
191.01859	2.1
209.11589	2.3
327.21820	3.2
409.10608	2.1
465.28778	3.1
483.29617	2.5
541.27118	2.2
561.53271	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	569.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	65.5
61.98708	4.2
63.69097	1.7
70.11923	4.2
70.12331	6.0
71.01245	10.9
78.95770	8.6
78.96207	1.8
85.02825	8.4
89.02304	5.3
93.03337	52.6
96.97050	1.8
98.19983	3.4
99.00785	2.3
101.02290	7.2
110.98406	3.8
113.02338	10.4
123.08152	1.9
152.99472	2.5
161.04404	2.8
171.10139	7.2
194.13081	1.8
209.11729	3.7
220.13376	6.0
251.20099	15.8
252.20619	2.0
277.18106	2.2
295.19159	35.8
326.17661	5.3
337.43475	1.8
369.35403	2.0
401.23260	21.7
402.23853	4.0
428.22092	3.2
440.21829	2.1
446.23550	5.0
465.28476	9.0
482.27304	2.3
483.29620	10.0
494.06912	2.1
522.26501	8.1
534.26501	4.6
552.27386	3.0
569.25311	13.0
570.28613	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	569.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	4.0
59.01247	100.0
61.79162	3.1
64.11401	3.3
67.57886	3.3
71.01256	23.6
71.45398	6.2
73.02798	4.5
78.95767	4.7
85.02824	13.7
86.19419	3.3
89.02313	13.1
89.26407	3.3
90.91628	3.6
90.97075	4.4
96.95927	4.5
101.02326	14.4
106.91454	3.2
107.78138	3.5
112.70226	3.6
113.02321	22.5
119.03345	5.2
123.17976	4.1
126.99463	5.4
128.99159	3.5
152.99483	6.0
171.10175	11.3
195.88646	3.6
295.19131	6.9
317.79623	3.9
401.23370	5.4
463.58514	4.1
465.28403	13.6
483.29517	10.7
544.49152	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	569.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	5.8
62.96298	0.7
69.24398	3.3
69.24826	3.4
78.95776	60.8
96.96838	11.3
114.03569	0.6
121.62489	0.6
127.78162	0.6
130.14958	0.5
150.97997	0.9
152.99495	100.0
153.99831	1.3
171.00587	2.5
171.10110	0.7
184.21576	0.6
223.00108	10.6
223.02144	1.1
241.01143	23.8
242.01408	0.9
253.21709	68.1
254.22076	4.6
259.02206	1.4
315.04849	14.9
333.05984	0.8
407.21774	0.8
569.27313	77.2
570.27704	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	569.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51491	0.5
57.97418	1.0
58.02831	0.5
59.01244	3.0
71.01254	0.9
72.00777	1.1
72.04418	1.0
72.99180	0.6
73.02819	2.9
73.03938	1.2
74.02343	7.3
75.00748	2.1
78.13341	0.6
78.95776	6.4
85.02847	0.5
95.04830	0.6
96.19468	0.5
98.00581	1.1
99.00745	1.0
99.92458	6.9
102.01855	0.6
115.00294	0.8
116.03428	7.4
116.07063	0.7
116.92747	100.0
117.01830	6.8
117.02982	3.2
117.03725	0.9
117.05390	0.6
117.92757	3.6
118.01337	1.1
124.00909	3.5
125.01651	2.6
128.03471	0.6
140.00397	1.2
141.01135	0.9
152.99506	4.1
169.00670	0.6
171.00497	0.9
171.10114	2.7
201.11456	0.6
213.12547	0.6
241.01161	0.6
269.81308	0.6
294.63254	0.6
381.39511	0.6
432.43640	0.7
569.21704	1.0
569.30530	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37029	0.6
50.37992	0.8
59.01255	3.7
61.98713	1.1
70.86494	1.8
71.01262	1.2
78.95776	72.8
92.13110	0.8
96.95864	1.6
96.96831	11.8
111.07973	0.7
150.97792	1.1
152.99492	92.6
153.99809	0.8
157.07581	2.2
167.79875	0.8
171.00513	1.7
171.10124	1.4
197.11734	0.8
223.00076	7.8
223.13516	0.8
223.16986	14.5
224.17355	1.4
225.18503	0.7
228.50911	0.8
235.16985	30.1
236.17299	2.1
241.01152	30.1
253.18068	63.6
254.18329	5.9
259.02118	1.3
276.80255	0.8
292.04861	0.8
315.04849	13.7
333.05771	1.6
341.23291	1.9
407.18686	1.3
460.55881	0.8
477.17001	1.4
483.23346	0.8
519.03119	0.9
539.21100	1.2
551.20599	1.2
569.23621	100.0
570.24048	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	569.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.5
61.98689	3.2
65.34052	0.7
69.50948	1.9
69.51353	4.2
74.02357	1.9
78.95778	74.5
90.18590	0.6
96.95882	2.6
96.96839	18.3
110.14047	0.7
116.04977	1.2
121.02853	2.0
134.98491	0.8
138.18349	0.8
142.06526	3.2
150.97868	1.3
152.99493	65.9
157.07635	11.6
165.01778	1.2
171.00684	1.0
171.08844	0.9
171.10193	3.7
179.13522	0.8
223.00018	1.6
223.16971	11.2
235.16995	20.8
236.17307	1.3
241.01140	29.3
242.01717	1.1
249.26431	0.8
252.32378	0.8
253.18065	46.2
254.18428	2.9
315.04865	8.4
375.08249	0.9
389.17404	7.2
407.18445	4.8
437.24466	1.1
477.27698	2.0
495.28561	2.1
507.18082	2.3
511.28094	2.7
551.30951	1.8
569.23730	100.0
569.32324	11.7
570.24109	10.9
570.32343	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.5
63.02275	1.0
65.00181	0.7
71.01254	0.4
83.01295	0.3
85.02827	1.0
93.03339	4.1
96.95889	1.2
101.02343	0.3
107.01249	0.5
109.02821	2.6
121.02836	0.8
123.20170	0.3
129.01790	0.3
135.00702	0.3
137.02245	0.5
139.03931	0.3
143.04948	0.3
145.02817	0.4
146.03629	0.3
147.04445	1.4
148.01575	0.8
149.02267	0.6
151.00298	0.7
152.99532	0.3
161.05954	0.3
163.00299	2.1
163.03784	0.3
169.06491	0.8
171.04422	4.0
174.03160	0.4
175.00197	0.4
175.03929	0.4
183.04372	0.4
185.05992	0.5
187.03920	0.6
189.05528	0.8
190.02652	0.5
190.99867	0.4
191.01816	0.3
197.06027	0.6
198.03094	0.6
199.03906	0.9
200.04599	0.5
201.01868	0.6
201.05527	0.7
209.11845	0.5
211.03975	1.4
212.04727	0.3
213.05560	2.2
215.03389	0.6
223.03989	0.3
226.02620	0.8
227.03445	2.8
228.04201	2.7
229.04958	2.2
231.06755	0.4
239.03508	1.5
239.24066	0.3
240.04121	1.0
241.05048	2.3
242.02174	1.6
243.02867	1.8
255.02957	4.4
256.03717	3.2
257.04532	7.2
258.04962	0.4
267.02979	6.0
268.03503	0.6
269.04599	1.5
270.01733	1.3
270.04724	0.4
271.02472	2.3
283.02469	8.8
284.03165	2.3
285.04065	4.0
286.04321	0.3
297.03958	0.3
303.06598	0.7
304.07394	0.7
305.08185	0.9
312.02753	1.0
313.03564	4.1
314.03653	0.4
321.07590	0.6
331.06134	0.9
332.06821	3.9
333.07498	2.8
349.07162	15.5
350.07535	2.0
354.38791	0.3
359.05716	0.5
360.06375	4.8
361.07129	10.2
362.07581	1.1
377.06644	50.4
378.07135	8.7
379.07843	0.7
389.06866	0.4
405.06152	0.9
406.06909	69.5
407.07629	40.2
408.08044	3.3
412.50232	0.3
449.08661	0.4
475.09021	0.9
508.28000	0.3
526.29364	0.4
526.51605	0.3
569.12988	100.0
570.13348	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	568.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	18.9
59.37077	1.4
70.08587	7.2
78.95777	27.4
93.72411	1.3
94.69698	1.2
96.95896	12.9
110.98416	2.1
116.66381	1.4
152.58359	1.3
152.99480	9.7
168.04335	2.2
224.06900	6.9
242.07907	2.3
255.23265	5.7
269.24850	100.0
270.25198	8.8
279.23218	2.0
280.23651	2.2
311.91580	1.4
390.35721	1.4
483.27057	3.6
494.32574	56.4
495.32993	6.6
535.10870	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	569.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
60.29011	0.5
60.45258	0.5
63.02263	0.8
65.00194	0.7
68.64592	0.6
75.99802	0.6
90.45768	0.5
93.03333	5.0
98.20581	1.0
107.01250	1.1
109.02815	2.9
119.01311	0.8
121.02851	1.9
135.00800	2.6
137.02362	3.2
139.03906	1.0
141.76620	0.5
148.01563	2.7
149.02353	7.3
151.00299	0.8
152.29529	0.7
159.04433	0.6
161.02357	2.2
163.00279	20.9
164.00725	0.9
165.01875	0.8
169.06441	1.0
171.04465	3.1
173.05942	0.9
174.03149	0.6
175.00325	2.9
176.01067	10.8
177.01736	1.7
183.04448	1.7
184.05208	0.8
185.06024	1.1
187.03951	2.2
189.01883	0.8
189.05505	1.3
190.02618	0.6
190.99742	1.6
195.04486	2.3
196.05309	1.4
197.05986	2.1
198.03065	1.5
199.03972	2.8
200.04605	0.6
204.00615	1.5
211.03981	9.0
212.04587	2.8
213.01877	0.8
213.05516	7.6
214.02603	1.7
215.03427	8.3
216.03918	0.9
217.05057	2.3
223.03906	1.2
224.04768	1.1
226.02663	1.8
227.03406	4.2
228.04268	3.1
229.05032	3.2
231.06581	0.9
239.03409	6.4
240.04167	3.5
241.01428	1.1
241.05061	10.4
242.02145	4.4
243.02954	10.2
244.03261	0.8
251.03596	0.8
252.62378	0.6
254.02170	0.7
255.02972	8.8
256.03720	9.9
257.04520	15.5
266.02142	1.3
267.02988	14.7
268.03671	3.5
269.04550	2.4
270.01715	8.0
271.02426	5.9
272.03036	0.9
283.02472	42.5
284.03165	10.6
285.04019	19.2
286.04224	0.9
295.02423	3.2
311.01993	14.7
312.02744	41.1
313.03519	100.0
314.03876	7.7
332.06833	0.8
349.07193	11.7
350.07581	0.7
359.05621	1.2
360.06406	1.0
361.07220	0.9
377.06708	10.6
378.07156	2.6
379.92944	0.7
406.06906	45.1
407.07571	19.5
408.07849	1.6
475.08786	80.6
476.09088	8.7
483.89618	0.6
569.12982	73.7
570.13336	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	568.281
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77249	0.6
59.01251	1.6
61.98701	0.8
69.03323	0.8
71.58306	1.4
78.95780	37.5
79.65947	0.6
96.95905	0.8
96.96831	1.0
111.08067	1.2
134.98433	0.8
152.99480	10.6
154.67952	0.7
168.04250	5.6
171.10210	0.7
176.08698	0.7
179.14326	1.3
195.13855	10.7
196.14349	1.0
205.12238	1.5
205.15874	0.7
223.13319	7.3
224.06853	13.0
237.88445	0.6
242.07947	2.4
256.13217	0.8
275.20169	3.7
291.19614	3.5
293.21213	53.1
294.21545	4.2
449.21924	1.0
516.26947	0.9
518.28876	100.0
519.29138	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	568.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.3
59.79434	0.8
61.98701	0.9
63.38578	0.9
66.61101	0.7
71.45177	1.4
78.95783	19.9
78.96223	1.6
89.75368	1.0
96.96844	1.9
97.06481	0.8
119.04885	1.5
125.09559	1.1
135.04430	1.1
147.04483	1.1
152.99487	8.0
168.04239	3.3
179.14365	1.1
195.13849	11.1
196.14203	1.4
223.13411	8.4
224.06874	2.8
228.13579	1.3
235.17041	2.4
242.07921	3.9
256.13153	1.1
275.20123	7.0
293.21237	100.0
294.21539	9.3
402.14307	1.2
405.91776	1.0
420.15524	1.7
437.24496	1.9
511.28244	1.9
518.28882	78.9
519.29132	10.7
546.46588	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26482	0.3
59.01249	1.1
66.40961	0.3
71.01263	0.7
71.49581	0.4
72.99180	14.5
75.00745	11.4
84.04458	0.3
85.02831	1.0
88.78676	0.3
95.04890	0.3
96.95905	0.7
107.24559	0.3
110.02344	0.5
111.00765	0.4
112.03938	2.4
112.95136	0.3
122.05967	0.3
124.03930	1.1
133.04959	100.0
134.05307	2.3
140.07011	0.4
166.05006	45.4
167.05315	1.7
170.09518	0.3
171.10205	0.4
176.33673	0.3
184.06062	2.2
186.88414	0.3
208.06062	0.5
215.07014	0.3
328.10422	1.2
554.24780	0.3
568.20123	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73687	0.6
56.76379	0.5
59.01249	2.8
61.98703	1.0
70.15134	2.4
73.63343	0.5
78.95778	70.1
82.48269	0.5
96.95886	2.2
96.96842	10.7
125.09618	1.1
150.97952	1.4
152.99495	100.0
171.00562	2.9
223.00078	9.9
234.67564	0.6
241.01169	25.4
242.01553	0.7
251.20140	63.5
252.20445	4.6
259.02225	1.9
315.04898	17.3
323.29794	0.7
333.05972	0.9
405.20313	0.8
412.21124	0.7
494.29111	0.8
567.25745	78.9
568.18073	0.8
568.26111	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	567.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.4
57.97375	0.4
59.01252	5.3
59.48716	0.3
61.75890	0.4
64.04676	0.4
67.20213	0.3
69.23902	0.4
69.45040	1.0
69.45458	2.5
71.01249	0.6
72.99182	1.1
75.00718	0.9
78.95774	0.7
83.01231	0.5
85.02823	2.5
89.02306	0.4
96.95918	0.6
99.43610	0.3
101.02321	1.0
107.04908	2.6
108.23598	0.3
109.02824	0.7
111.00761	0.5
119.86480	0.3
121.02822	0.4
121.06496	0.6
122.03624	7.7
123.04414	1.2
131.08615	0.9
133.04964	6.1
134.03644	0.4
135.04414	60.7
136.05110	4.0
137.05937	1.4
147.04433	0.8
148.05196	4.3
149.05942	1.2
152.99519	0.5
157.06528	0.7
159.04437	2.2
160.05238	2.4
161.05882	0.4
164.04730	1.4
171.08057	1.3
172.05301	0.6
173.05931	1.0
174.06784	16.5
175.07550	4.8
176.08286	0.6
187.07532	0.5
188.08327	0.9
189.09135	4.3
190.09647	0.5
202.09933	0.7
206.62894	0.3
217.12178	0.5
227.14455	0.5
230.13086	1.9
242.13100	2.8
244.14679	0.4
245.15446	6.7
255.13768	0.6
257.15472	4.2
260.14154	1.1
261.14688	0.5
271.13385	0.7
273.14990	0.4
274.15744	43.6
275.16498	100.0
276.16809	7.4
289.14420	1.5
301.18011	1.1
317.17575	1.5
326.09909	0.6
419.20728	4.3
420.21304	0.4
437.21823	0.5
479.22910	1.6
481.20975	0.6
523.21820	15.3
524.22052	1.8
567.20935	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.4
57.97375	0.4
59.01252	5.3
59.48716	0.3
61.75890	0.4
64.04676	0.4
67.20213	0.3
69.23902	0.4
69.45040	1.0
69.45458	2.5
71.01249	0.6
72.99182	1.1
75.00718	0.9
78.95774	0.7
83.01231	0.5
85.02823	2.5
89.02306	0.4
96.95918	0.6
99.43610	0.3
101.02321	1.0
107.04908	2.6
108.23598	0.3
109.02824	0.7
111.00761	0.5
119.86480	0.3
121.02822	0.4
121.06496	0.6
122.03624	7.7
123.04414	1.2
131.08615	0.9
133.04964	6.1
134.03644	0.4
135.04414	60.7
136.05110	4.0
137.05937	1.4
147.04433	0.8
148.05196	4.3
149.05942	1.2
152.99519	0.5
157.06528	0.7
159.04437	2.2
160.05238	2.4
161.05882	0.4
164.04730	1.4
171.08057	1.3
172.05301	0.6
173.05931	1.0
174.06784	16.5
175.07550	4.8
176.08286	0.6
187.07532	0.5
188.08327	0.9
189.09135	4.3
190.09647	0.5
202.09933	0.7
206.62894	0.3
217.12178	0.5
227.14455	0.5
230.13086	1.9
242.13100	2.8
244.14679	0.4
245.15446	6.7
255.13768	0.6
257.15472	4.2
260.14154	1.1
261.14688	0.5
271.13385	0.7
273.14990	0.4
274.15744	43.6
275.16498	100.0
276.16809	7.4
289.14420	1.5
301.18011	1.1
317.17575	1.5
326.09909	0.6
419.20728	4.3
420.21304	0.4
437.21823	0.5
479.22910	1.6
481.20975	0.6
523.21820	15.3
524.22052	1.8
567.20935	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29500	1.7
58.00459	2.5
59.01248	39.2
59.94267	1.5
70.34235	4.4
71.01254	45.9
72.99178	4.7
73.02819	4.4
75.00742	3.9
83.01273	3.2
85.02827	15.8
87.00743	3.6
89.02316	40.4
93.03316	5.0
95.01254	4.4
96.95885	3.4
99.00729	2.7
101.02322	25.5
113.02338	15.1
119.03381	18.3
119.48203	1.5
121.02836	6.3
122.03616	12.2
128.03448	2.3
131.03429	2.0
133.02800	2.7
133.03979	1.4
133.04970	7.3
136.01524	2.1
136.07111	1.5
137.02368	2.3
143.03427	6.0
147.06491	2.3
149.02341	40.7
150.03130	100.0
151.03598	3.7
161.02347	2.9
161.04462	8.9
162.03038	4.1
163.03888	2.1
164.04736	14.8
165.05482	92.5
166.05888	2.4
177.05464	3.4
179.03471	7.4
179.05527	13.9
180.04149	4.3
191.01855	3.5
193.08662	1.9
194.05884	3.6
195.06555	67.3
209.02983	2.2
209.08105	9.0
242.86469	2.0
271.58112	1.7
342.10999	5.0
357.13428	65.5
358.13837	5.6
405.15485	4.4
567.20953	16.7
568.20453	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	567.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50819	2.0
59.01244	6.1
61.98698	2.4
68.34660	2.2
71.58225	3.3
78.95760	12.4
89.78528	2.0
96.95893	2.5
119.04917	39.4
121.02839	6.5
130.04132	2.6
131.04938	10.8
134.03604	5.2
135.04414	20.7
137.05962	2.8
144.29843	2.3
146.03677	5.3
147.04427	44.4
149.05977	6.6
152.99489	8.0
165.05518	7.4
181.06480	4.0
209.06096	2.7
223.13373	3.1
225.05478	8.5
237.05560	4.2
243.06590	10.4
253.05098	4.5
254.05780	3.5
255.06511	7.0
271.06052	7.2
293.21277	21.4
317.65222	2.2
357.11328	5.5
367.09717	3.3
369.11169	8.0
374.11609	7.6
375.12262	9.8
385.10840	11.9
386.11584	24.3
387.12326	19.8
389.13968	16.9
401.08948	4.6
401.13870	43.9
402.13953	3.2
403.11935	7.4
404.12680	29.5
418.14081	3.5
419.14999	100.0
420.15448	8.8
518.28931	23.9
519.18164	5.2
549.19312	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	567.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	4.2
69.88964	12.5
71.01237	2.8
78.95760	3.9
85.02805	3.7
88.14526	2.4
93.03346	16.2
98.67971	2.9
99.00803	2.7
101.02267	3.4
108.02053	58.0
109.02822	7.3
115.48817	2.3
137.02333	28.4
152.01060	100.0
153.01736	3.6
163.03952	3.2
179.03487	4.2
238.51854	2.5
352.25916	2.7
429.10342	15.0
443.13080	2.5
447.11520	17.7
567.13501	80.6
568.13922	7.1
585.47510	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	565.4449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20526	0.3
55.01773	0.5
55.76100	0.4
63.19079	0.4
69.82812	0.7
69.83218	1.6
78.95787	2.2
84.02059	0.4
91.36900	0.4
195.23952	0.4
197.19115	0.8
199.56168	0.4
221.19040	1.1
223.20619	3.5
224.20982	0.5
225.22195	69.6
226.22530	4.7
253.21742	1.9
265.07687	0.4
269.21219	0.6
271.22791	100.0
272.23148	7.3
565.44495	45.0
566.44958	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	565.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.4
56.22137	0.3
57.03311	0.6
57.90376	0.3
58.00471	0.5
59.01251	5.8
61.98701	7.5
65.51371	0.3
68.02407	1.9
71.01255	4.6
71.57441	0.4
72.99181	8.7
73.02824	1.9
75.00746	100.0
76.01080	0.8
78.95776	34.3
80.04915	1.1
80.96362	0.3
83.01260	1.0
83.04903	0.3
85.02822	7.8
85.95042	0.3
86.03149	0.4
87.00742	0.9
87.04366	0.4
89.02317	0.9
93.03342	1.1
94.06503	0.3
95.01246	0.4
96.95873	0.7
96.96844	12.4
97.02832	0.3
98.28884	0.3
99.00771	0.6
101.02310	2.3
106.76799	0.3
107.03672	0.5
111.00770	7.3
112.01075	1.5
113.01218	0.7
113.02325	1.4
115.03925	0.9
118.25977	0.3
119.03436	0.4
121.02890	0.3
122.06005	2.8
122.06771	0.4
123.04399	1.9
129.01866	1.3
133.04964	51.3
134.05309	1.1
137.02376	0.8
138.97916	0.4
147.02975	0.5
152.07072	3.9
152.99521	0.7
154.99815	1.1
162.95370	0.5
165.03194	0.4
171.10262	0.5
173.00826	2.1
174.01262	1.0
175.01399	0.9
191.01889	2.0
191.14406	0.7
209.15468	0.4
223.13707	0.4
230.59669	0.3
235.13484	0.4
239.12067	0.8
239.16685	0.4
245.13228	0.8
253.09438	0.6
257.17834	1.0
259.02554	1.0
269.21124	1.5
277.10141	0.5
278.10843	0.4
287.22299	5.1
291.11697	0.4
293.12943	3.2
325.12207	0.5
329.23749	1.2
370.12640	0.4
400.16656	2.5
401.17722	0.4
403.22540	5.6
404.23035	0.5
412.17252	0.9
431.26520	4.4
449.27542	5.2
450.28601	0.8
505.34479	0.8
507.17572	1.0
507.28101	30.9
508.28503	4.6
565.33685	22.6
566.25879	0.6
566.33813	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.1
57.03304	1.9
58.00490	0.7
59.01250	100.0
60.01595	0.9
61.98700	0.6
64.80098	0.3
68.99686	0.4
69.03336	1.3
71.01251	15.2
71.58302	0.4
72.99178	2.1
73.02819	4.2
75.00735	0.8
78.95770	0.8
81.03348	0.8
81.95724	0.3
83.01260	2.7
84.01593	0.4
85.02823	9.8
85.99963	0.6
87.00753	4.5
89.02317	3.0
89.44705	0.4
90.62669	0.4
91.03870	4.3
93.03345	0.5
95.01257	1.7
96.95898	1.3
97.02819	2.2
99.00754	1.8
101.02319	7.7
101.02999	0.5
101.95783	0.4
108.18615	0.3
109.92169	0.3
111.00753	2.7
112.01559	1.1
113.02325	5.1
113.09608	0.5
124.01545	3.2
125.02338	5.3
127.11177	1.2
129.01851	0.7
133.04973	0.6
136.25920	0.4
142.02617	0.5
143.03421	1.7
143.10660	0.5
153.05513	1.1
161.04451	0.8
173.00867	1.1
191.01935	1.1
218.17935	0.4
241.21689	0.7
253.09329	0.4
269.21191	6.6
270.21585	0.9
271.22781	0.5
285.20721	1.0
287.22275	38.8
288.22601	3.4
288.36896	0.4
299.22342	1.4
301.23825	1.1
311.22333	0.4
327.21906	0.5
329.23187	2.8
377.62729	0.4
395.24292	0.6
401.25378	0.5
413.25488	10.0
414.25864	1.1
431.26474	71.2
432.26843	8.4
449.27536	31.3
449.33917	0.7
450.27887	3.5
455.22565	0.4
473.27527	15.5
474.27921	2.5
491.28607	31.4
492.28903	4.8
505.30176	1.8
565.31781	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41886	0.4
55.90174	0.4
61.36368	0.4
64.62069	0.4
67.53563	0.4
71.58129	0.5
72.99197	0.8
77.04511	0.4
78.95779	36.0
82.50010	0.4
96.96827	3.8
102.71101	0.4
115.00290	0.5
150.97903	1.6
152.99493	100.0
153.99825	1.2
171.00546	0.7
227.01236	0.5
227.03256	1.7
249.00243	0.5
255.23276	35.7
256.23618	2.9
267.01230	0.6
279.23309	9.7
280.23563	0.6
282.25461	0.5
285.05237	0.7
303.06467	1.4
346.62177	0.6
483.27310	29.8
484.27728	2.8
565.29230	3.8
566.29517	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.1
57.03304	1.9
58.00490	0.7
59.01250	100.0
60.01595	0.9
61.98700	0.6
64.80098	0.3
68.99686	0.4
69.03336	1.3
71.01251	15.2
71.58302	0.4
72.99178	2.1
73.02819	4.2
75.00735	0.8
78.95770	0.8
81.03348	0.8
81.95724	0.3
83.01260	2.7
84.01593	0.4
85.02823	9.8
85.99963	0.6
87.00753	4.5
89.02317	3.0
89.44705	0.4
90.62669	0.4
91.03870	4.3
93.03345	0.5
95.01257	1.7
96.95898	1.3
97.02819	2.2
99.00754	1.8
101.02319	7.7
101.02999	0.5
101.95783	0.4
108.18615	0.3
109.92169	0.3
111.00753	2.7
112.01559	1.1
113.02325	5.1
113.09608	0.5
124.01545	3.2
125.02338	5.3
127.11177	1.2
129.01851	0.7
133.04973	0.6
136.25920	0.4
142.02617	0.5
143.03421	1.7
143.10660	0.5
153.05513	1.1
161.04451	0.8
173.00867	1.1
191.01935	1.1
218.17935	0.4
241.21689	0.7
253.09329	0.4
269.21191	6.6
270.21585	0.9
271.22781	0.5
285.20721	1.0
287.22275	38.8
288.22601	3.4
288.36896	0.4
299.22342	1.4
301.23825	1.1
311.22333	0.4
327.21906	0.5
329.23187	2.8
377.62729	0.4
395.24292	0.6
401.25378	0.5
413.25488	10.0
414.25864	1.1
431.26474	71.2
432.26843	8.4
449.27536	31.3
449.33917	0.7
450.27887	3.5
455.22565	0.4
473.27527	15.5
474.27921	2.5
491.28607	31.4
492.28903	4.8
505.30176	1.8
565.31781	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10397	10.8
57.55624	10.7
59.01246	59.6
64.91219	12.8
69.03315	14.0
69.32906	16.9
69.33298	100.0
71.01245	13.5
75.08271	12.4
78.95783	61.6
79.33458	12.0
79.35532	11.7
85.02799	18.6
96.95881	10.6
110.98391	36.6
115.71609	11.3
125.68999	11.9
137.09630	42.8
139.07578	54.7
153.09102	15.5
185.02220	15.8
211.13315	15.7
217.00349	15.6
229.14389	26.9
269.07019	57.9
281.17575	26.1
293.21219	13.7
353.89526	12.6
427.05670	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	565.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.9
58.02839	1.7
59.01241	3.7
61.98693	1.7
62.49952	0.5
70.02856	3.0
71.01247	1.4
73.02808	0.8
73.03941	0.9
73.16959	0.5
74.08189	0.5
78.95773	3.5
81.02080	3.2
82.02841	2.1
82.06489	3.2
84.08054	0.8
85.02819	6.2
87.05511	0.5
89.02315	0.6
96.00783	34.0
96.95904	0.7
96.96867	0.7
97.03975	0.6
98.02351	29.0
98.19801	1.0
99.05510	12.5
101.02315	1.3
109.01570	5.1
111.00751	4.8
112.01077	1.3
113.01196	0.7
113.02349	0.8
114.01862	1.5
114.05514	0.8
115.04989	0.9
116.04927	0.7
121.03981	0.7
121.24514	0.5
129.01820	0.8
130.08627	22.8
131.04904	5.6
131.08916	1.3
136.03947	0.6
137.02365	0.8
138.08148	0.9
138.09145	10.7
140.07056	1.0
141.06601	8.0
147.02841	0.6
147.05838	3.5
152.99469	2.2
154.99728	0.6
156.06483	0.7
156.08266	0.6
161.03459	3.2
163.08727	0.7
165.10193	0.7
166.08659	1.6
171.10220	0.7
173.00804	2.3
174.01134	0.7
174.05557	1.0
175.08675	0.6
178.76299	0.6
186.05557	0.7
189.06941	16.1
190.07227	0.8
191.01897	1.1
200.07091	6.0
204.09000	2.6
213.69391	0.6
214.12358	0.7
216.11842	0.6
216.13869	9.4
217.14151	0.8
220.08559	0.9
243.07719	1.2
244.06059	3.2
249.14835	0.8
259.14478	5.7
260.12854	8.4
267.14917	0.6
269.16605	2.9
270.14957	1.3
277.15503	1.1
295.14532	2.3
313.15500	1.1
329.23257	0.6
357.14536	100.0
358.14844	10.0
372.62640	0.5
375.15579	2.3
413.08340	0.6
434.13821	1.0
484.05685	0.6
505.33704	1.0
547.22284	41.9
548.22729	8.3
565.23108	5.3
566.22095	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12268	0.9
55.01748	1.3
58.00468	2.5
59.01249	55.9
59.36768	0.9
69.44107	3.6
69.44525	5.9
71.01250	34.8
72.01588	1.0
72.99184	4.1
73.52473	1.1
83.01256	1.9
85.02826	8.8
87.00751	2.2
89.02312	41.8
95.01255	3.8
96.95892	7.5
97.02805	1.3
99.04381	5.4
101.01688	1.9
101.02319	22.9
109.02878	1.5
111.04360	1.7
113.02322	15.2
119.03381	15.6
122.49473	1.0
124.05151	1.2
125.05975	1.4
129.01872	2.2
131.03383	1.3
133.10120	3.9
135.11684	5.6
143.03436	2.6
149.04466	1.6
161.04462	4.4
161.09601	10.6
169.58585	1.2
173.04366	1.1
179.05530	12.7
179.10692	48.9
180.11076	2.5
191.01836	1.7
203.10849	1.0
205.08569	2.9
209.02965	2.3
223.09703	100.0
224.10080	6.2
252.98535	1.1
265.10846	3.7
325.12836	1.4
359.16992	4.0
385.14984	10.8
386.15491	1.3
403.16043	86.4
404.16373	7.9
565.21161	9.3
566.21429	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	565.2055
Annotation	100-1
Peak:m/z	Relative Intensity
59.01246	4.9
61.98695	1.0
69.03326	12.0
71.13454	2.3
75.12325	1.1
78.95778	85.2
83.04897	1.3
93.03326	1.4
95.04903	1.0
96.96836	18.4
114.26502	0.9
119.04900	1.3
120.59254	0.9
121.02823	3.4
122.16499	1.1
123.73033	0.9
134.03606	1.8
138.97917	2.5
143.04889	2.1
152.99496	83.2
167.10690	1.5
171.00563	2.2
182.90294	1.1
187.14928	1.9
193.12253	1.9
201.32460	1.0
205.12314	1.9
205.15926	4.3
221.15451	6.2
223.00114	7.6
231.13835	8.2
241.01157	30.1
249.05730	1.1
249.14923	40.7
249.17496	2.3
250.15295	2.8
259.02173	1.9
300.31277	1.1
315.04861	16.1
329.23206	5.3
333.05884	2.8
344.18735	1.0
403.15018	1.9
403.22479	2.8
406.45895	1.1
445.23590	1.3
469.15680	1.1
481.17123	2.4
487.18512	5.4
499.18439	5.3
505.17407	3.0
511.18256	1.8
517.19183	8.4
529.18811	6.6
535.20471	15.7
546.19788	1.3
547.20270	16.7
548.20178	1.2
565.20428	100.0
565.27734	6.9
566.20764	11.3
566.28326	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	565.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.6
59.01251	73.5
60.01574	0.7
61.98714	0.4
62.22948	0.2
64.61436	0.2
70.72692	0.8
71.01260	1.0
72.99182	8.7
73.02827	0.3
75.00747	9.8
78.95784	0.3
80.96416	0.3
83.01286	0.4
85.02819	2.8
89.02332	0.4
93.03361	0.6
96.95903	0.9
101.02322	1.0
111.00755	2.2
112.01202	0.2
112.54568	0.2
113.02329	0.4
121.02861	0.7
123.04430	0.3
129.01875	0.3
133.04962	100.0
134.05289	1.9
135.04437	0.4
135.25572	0.2
137.02380	0.8
144.19009	0.2
149.89059	0.2
154.99821	0.3
160.61961	0.2
161.04488	0.4
171.10196	0.7
173.00893	0.4
174.01245	0.4
177.91711	0.2
191.01837	0.7
209.03011	0.7
211.13396	0.3
212.13527	0.3
253.09340	0.8
254.09747	0.4
255.09804	0.5
267.08759	0.5
327.21857	1.5
328.22162	2.1
329.22803	1.7
343.15610	0.3
505.33939	0.9
517.91223	0.3
523.34546	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1926
Annotation	Methylisohaenkeanoside
Peak:m/z	Relative Intensity
56.20261	1.1
69.48869	4.1
69.49289	5.1
72.99181	2.0
75.00769	1.3
87.24870	1.1
91.05402	25.6
96.95914	1.4
98.02502	1.1
112.30828	1.1
127.80480	1.2
133.04947	11.2
134.05278	3.3
135.04407	5.3
135.05295	1.3
142.12193	1.3
150.92804	1.2
158.42786	1.2
162.67116	1.2
163.03912	100.0
164.04237	2.8
209.11847	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	565.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.7
59.01250	2.9
62.98129	0.3
68.99689	0.4
69.28088	3.2
71.01257	4.6
72.99180	14.2
73.02811	1.1
75.00746	100.0
76.01080	1.1
77.32961	0.3
78.95772	0.5
80.96430	0.3
83.01248	0.9
85.02821	3.9
89.02319	0.7
93.03335	16.5
94.03652	0.4
95.01274	0.6
96.95889	2.9
96.99181	0.6
101.02321	4.0
107.04929	0.4
108.02042	0.6
109.99972	0.8
111.00780	2.9
111.04377	0.3
113.02319	2.2
120.02122	0.4
121.02847	0.9
123.00759	0.3
123.04446	0.8
124.01537	0.3
125.02371	0.4
129.05499	1.6
133.02875	0.4
133.05046	0.4
134.03656	0.4
135.04384	0.5
136.01578	1.3
137.02342	29.1
137.99510	0.6
138.02977	1.0
139.00290	1.3
147.06534	68.0
148.06862	2.5
149.02385	0.5
151.00246	0.6
151.03935	0.5
152.01071	0.3
153.01901	0.4
153.05478	7.4
154.05800	0.6
154.99799	0.4
163.03925	0.4
165.99002	1.3
166.99680	0.5
167.03378	0.4
173.00867	0.8
174.01183	0.3
178.99779	0.4
191.01842	0.6
191.03465	0.7
209.02858	0.4
221.04567	0.4
243.02966	0.4
270.01694	0.6
271.02548	3.0
281.06659	28.2
282.06943	1.9
287.01950	3.1
311.07657	0.6
316.02200	4.6
317.03027	2.0
319.39886	0.3
334.89194	0.3
389.94431	0.3
417.12082	0.7
435.12927	11.2
436.13202	1.2
493.13528	25.6
494.13849	3.4
505.33951	0.6
510.00418	0.3
521.09424	7.5
522.09717	1.5
523.34778	0.4
565.19379	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	20.7
61.98698	2.2
67.47455	1.6
69.03333	8.3
69.13956	1.9
69.77981	1.8
70.91406	4.1
70.91761	2.5
75.00782	1.8
78.95308	4.2
78.95778	79.5
80.53078	1.8
81.10204	1.8
83.04885	1.8
93.03363	4.1
96.96829	16.7
119.04938	3.4
121.02853	36.8
122.03150	2.6
130.04141	2.5
135.04408	5.5
137.02365	7.8
143.04953	2.7
145.06476	2.1
147.04433	2.0
152.99498	61.7
153.99767	2.3
166.02597	1.8
186.81133	1.8
190.60001	2.1
205.15897	2.4
207.10260	1.9
211.07605	2.3
216.06035	1.9
221.06087	3.7
221.15445	2.5
223.07567	2.4
231.13893	8.3
237.05513	3.0
237.09206	4.3
241.01141	26.8
249.05588	11.5
249.14970	23.6
250.06277	3.9
251.07019	2.3
315.04877	4.6
325.08594	2.6
328.10919	6.3
329.11444	2.4
329.23230	2.4
339.10580	2.5
341.11807	7.5
353.07974	3.3
369.11337	2.5
377.12036	2.9
385.14163	5.0
395.58655	2.6
417.16766	3.0
451.13693	2.3
453.15137	3.3
457.14154	2.7
459.16034	2.9
469.14380	9.6
470.15302	3.2
471.15900	4.1
475.15198	10.6
481.14529	11.7
487.15427	36.5
488.15912	6.6
493.14587	3.7
499.15442	31.0
500.15839	8.0
505.16589	45.3
506.16998	9.1
511.15555	5.4
517.16486	100.0
518.16846	17.9
529.16547	48.4
530.16870	8.0
535.17664	7.5
547.17743	9.1
548.17352	2.1
565.20453	81.7
566.20764	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	565.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15495	1.0
52.97147	1.0
59.01252	26.5
61.98708	2.7
64.33066	1.3
69.03344	1.7
69.66267	3.2
69.66683	5.4
78.95789	6.8
81.06555	1.3
81.58963	1.2
93.03323	5.2
96.95885	1.4
96.96870	1.2
98.20490	2.6
119.04919	3.2
121.02849	73.6
122.03164	2.2
130.04161	1.9
131.04909	1.9
134.03610	2.0
135.04399	4.9
137.02370	9.3
143.04926	2.1
147.04417	4.2
152.03439	1.2
152.99486	4.8
165.05446	3.8
197.05801	1.4
209.06044	1.8
210.06708	2.1
221.06052	3.9
237.09128	1.4
249.05525	13.4
249.09300	1.7
250.06320	4.6
327.10110	2.8
339.10349	3.4
341.11990	1.3
351.10181	1.9
353.08096	3.3
355.09637	1.7
359.09119	1.3
363.10452	1.9
365.11908	2.3
367.09326	1.6
369.11328	4.6
371.09109	3.3
375.09903	1.6
379.09579	1.5
381.11551	2.7
387.12375	3.3
399.12308	5.0
417.13477	3.0
421.73746	1.3
457.14246	3.8
458.14398	1.4
469.14438	7.4
475.15439	13.9
476.15601	1.7
481.14685	2.2
487.15466	22.5
488.15833	2.8
499.15375	17.9
500.15924	3.7
505.16510	4.4
505.31708	1.5
517.16144	6.8
529.16791	1.8
535.17584	80.9
536.17798	12.3
547.17621	100.0
548.17914	15.4
565.20038	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0481
Annotation	UDPglucose
Peak:m/z	Relative Intensity
50.63089	1.6
51.59139	1.6
54.41060	2.1
54.45331	1.5
56.74443	1.5
69.97978	6.3
78.95780	100.0
96.92548	1.5
96.95897	4.0
96.96844	40.8
111.01904	7.1
128.03362	2.1
138.97920	3.5
150.97969	3.7
158.92448	16.9
176.93510	2.1
211.00073	4.2
241.01204	6.6
261.64227	1.8
272.95712	4.1
278.55414	1.6
296.01437	1.9
306.07724	2.4
320.97903	3.4
323.02859	65.0
324.03171	4.5
343.72968	1.7
350.49216	1.9
363.55582	2.0
373.82172	1.8
384.98325	5.3
402.99463	2.8
485.66885	2.1
565.04510	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	563.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25920	1.1
70.89229	3.0
78.95779	74.4
80.34136	1.0
96.96852	8.0
102.88712	1.0
146.14317	1.2
150.97838	1.4
152.99493	64.8
171.10182	46.2
172.10570	1.3
186.32292	1.0
255.23267	100.0
256.23575	8.9
307.09567	10.7
325.10547	1.5
391.22537	33.8
392.23090	2.2
401.03021	1.1
409.23544	23.1
410.24103	1.3
563.33429	13.8
564.34015	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	563.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50993	1.0
69.52033	7.4
78.95782	81.8
96.96841	9.4
98.20590	1.9
99.93766	1.1
100.67767	1.0
104.89751	1.1
127.11224	1.4
133.36974	1.0
134.98349	1.4
152.99492	63.8
153.99825	1.3
171.08757	2.1
171.10193	44.0
172.10495	2.5
255.23273	100.0
256.23636	7.8
307.09555	9.5
341.76013	1.1
391.22552	26.4
392.22836	3.8
409.23590	15.0
410.23651	2.3
430.87396	1.1
486.66229	1.3
563.33722	10.4
564.33612	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	563.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51233	4.2
56.34737	4.7
78.95781	82.8
95.65932	4.2
96.96825	8.4
152.99484	60.1
157.08580	15.0
171.10191	57.0
229.67137	6.1
255.23268	100.0
256.23663	6.6
307.09387	16.4
389.61484	5.0
391.22540	28.8
409.23608	19.1
563.33270	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00788	1.5
59.01237	5.0
63.99539	1.3
78.95778	100.0
80.63802	1.4
80.71786	1.5
82.81908	1.4
84.65843	1.5
86.42719	1.4
93.00257	1.4
96.96842	9.4
98.20573	2.7
127.11200	1.3
148.98935	1.6
150.97871	1.8
151.16257	1.4
152.99489	53.3
160.11333	1.4
171.10185	33.8
217.00221	6.2
241.77377	1.9
255.23286	62.6
256.23618	4.1
307.09399	4.4
391.22589	10.2
409.23535	4.7
436.66342	1.6
563.33405	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	563.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.5
57.03327	3.5
58.00474	0.6
59.01250	11.0
61.98702	0.4
64.34829	0.2
67.01755	1.1
69.03321	1.5
69.44683	0.7
69.45086	1.8
71.01256	8.1
71.04903	0.5
72.99176	2.3
73.02834	1.8
73.77502	0.2
75.00758	0.5
78.95769	0.9
80.96405	0.4
81.03324	0.3
83.01259	2.5
83.04903	0.6
84.02050	0.7
84.94968	0.3
85.02825	25.2
85.06458	0.4
86.03156	0.8
87.00771	1.3
88.98692	1.3
89.02318	7.2
91.03908	0.5
93.03347	0.5
95.01254	0.8
95.04884	0.5
96.95891	0.5
97.02827	1.2
97.06469	2.9
99.00735	0.6
101.02323	8.2
109.05145	0.3
110.05907	0.3
111.00765	25.8
112.01096	0.7
113.02331	4.5
119.03406	1.9
121.02810	0.7
121.06610	0.4
124.29946	0.3
125.02334	0.4
125.09615	1.2
127.11193	1.6
128.03400	0.3
129.01834	3.3
133.02853	0.3
133.04955	0.4
134.03647	0.8
137.09608	1.9
143.03398	0.8
147.02876	0.8
152.99512	0.6
154.99782	3.3
155.10704	1.0
156.98746	0.5
161.02365	0.5
161.04480	3.3
165.01833	0.7
165.12788	0.5
167.14313	0.7
171.10185	21.8
172.10503	1.1
173.00833	11.5
173.02339	0.5
174.01144	0.3
177.12747	0.7
179.05551	1.4
183.13840	5.6
184.14200	0.3
185.11754	0.9
191.01920	4.9
193.12260	0.8
195.13849	0.5
197.11732	0.7
201.11250	0.9
209.02951	1.9
209.11775	1.6
211.13338	14.0
212.13747	0.9
221.11819	2.0
223.16986	0.4
227.03592	0.4
227.12793	0.6
229.14403	8.0
235.08202	0.4
239.12848	1.4
243.02945	0.4
251.16519	0.5
253.09267	33.4
254.09621	1.3
271.02499	3.0
275.19949	0.3
291.19635	3.5
292.19974	0.4
295.10416	0.4
299.01941	5.0
300.02658	1.0
301.03723	0.4
303.22253	0.3
304.69376	0.3
309.15128	1.3
309.20581	1.8
314.04312	3.9
315.04971	2.4
316.05902	0.4
327.21759	100.0
328.16229	0.5
328.22089	8.9
345.17087	3.2
346.17239	0.4
371.15051	1.4
394.27670	0.3
401.25446	0.6
503.32162	1.6
519.11487	3.3
520.04242	0.3
520.11310	0.6
521.33002	0.5
563.30750	3.6
564.30829	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73561	0.9
57.03332	1.6
58.00442	0.7
59.01252	13.8
61.98706	1.0
68.29723	0.7
71.01253	8.1
71.04857	0.7
71.57715	1.2
73.83039	0.6
75.24753	0.6
78.95779	9.8
83.01247	0.8
84.19531	0.7
85.02826	7.6
87.00772	0.8
88.15594	0.9
89.02321	5.8
93.03352	1.2
95.04906	1.2
96.95902	1.8
96.96857	1.9
97.06481	3.1
101.02325	6.7
111.99393	0.8
113.02337	3.5
119.03397	1.0
119.04778	0.7
123.08120	0.9
125.06033	0.9
125.09630	2.3
127.11181	1.7
128.03398	1.0
137.02313	1.0
137.09579	1.7
152.99496	5.4
155.10732	2.1
158.92503	0.7
161.04480	3.3
165.12787	1.4
171.10184	16.8
172.10416	0.7
177.12788	1.3
179.05672	0.9
183.13852	2.8
185.11798	1.3
197.11789	1.0
201.11203	1.7
209.11827	1.3
211.13350	16.7
215.45244	0.7
216.44939	0.7
221.11746	2.8
227.12932	0.8
229.14421	13.7
239.12833	1.7
247.20795	0.8
253.09293	30.1
254.09348	1.5
255.23279	1.5
291.19705	5.8
309.20801	3.1
327.21780	100.0
328.22119	7.0
393.35901	0.8
471.26022	1.9
489.26971	1.6
503.30713	0.8
533.20447	1.1
545.19513	2.1
563.20935	1.2
563.30145	2.4
564.99054	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.4
60.42510	0.3
62.96253	0.3
68.01255	0.3
71.58153	0.4
78.95776	34.1
92.40359	0.2
96.96838	3.3
117.54335	0.2
150.97926	1.3
152.99493	100.0
153.99861	1.9
229.02725	0.5
255.23235	0.3
269.90015	0.2
277.21719	9.5
278.22055	0.8
279.23352	0.3
281.24832	0.3
285.05450	0.8
303.06393	1.5
365.05762	0.3
394.38162	0.3
563.27881	3.5
564.28241	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90235	0.3
59.01251	0.5
71.25415	0.4
71.58041	0.5
78.95779	35.2
86.51687	0.4
96.96849	3.2
114.93629	0.4
122.04314	0.4
150.97926	1.2
152.99495	100.0
153.99782	1.0
171.10258	0.6
193.70354	0.4
229.02647	0.5
241.16837	0.4
255.23212	1.1
277.21762	6.3
278.22025	0.6
285.05371	0.7
303.06433	1.0
419.79663	0.4
563.27869	2.9
564.28326	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18765	1.1
53.09825	1.1
59.01247	3.1
64.26953	1.1
69.61995	1.9
69.62398	7.3
71.01260	1.8
72.99197	2.8
78.95787	5.7
87.95110	1.1
89.02338	1.6
96.95930	5.6
96.96843	3.3
101.00146	1.0
119.04955	1.4
121.02879	3.3
128.03423	2.4
136.01564	1.4
147.04449	2.0
150.03159	6.6
152.99480	3.2
158.03647	2.6
159.04449	8.3
160.05202	24.9
161.06032	8.3
163.03909	6.1
164.04695	5.0
171.10133	1.8
173.06017	3.7
175.07582	23.1
175.09004	1.8
177.05544	5.6
178.06325	6.0
193.08578	1.9
211.25029	1.3
255.23286	1.3
255.69392	1.1
299.13177	1.4
329.13953	100.0
330.14230	8.2
473.18185	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25183	0.6
55.01762	1.3
56.51840	0.7
57.03321	2.5
58.00460	2.3
59.01250	100.0
60.01584	1.0
63.49535	0.7
65.81247	0.6
69.03335	1.6
71.01252	47.4
72.99182	2.4
73.02817	54.1
74.03149	0.9
75.00751	2.3
78.17770	0.7
83.01261	15.1
85.02825	16.6
87.00764	1.8
89.02316	15.0
89.02824	1.1
90.01962	0.7
93.03367	0.9
93.31211	0.7
95.01276	2.0
96.95864	1.1
97.02830	1.2
97.85883	0.6
98.19950	3.7
101.02319	55.2
102.02670	1.0
105.01881	1.0
108.02054	2.3
109.02847	2.7
111.00779	2.5
113.02327	21.6
119.03400	6.4
121.02850	3.5
122.03634	1.9
123.04413	1.8
125.02316	1.7
129.01884	1.2
131.03401	5.0
133.04961	1.3
133.37975	0.7
136.01622	1.2
143.03409	5.8
146.86699	0.7
147.02945	1.5
147.04454	1.3
149.04495	4.6
155.03439	1.3
158.03659	1.3
159.04489	3.8
160.05206	9.6
161.02417	1.1
161.04504	14.3
161.05978	2.6
163.03882	1.0
171.04518	1.3
171.10226	2.5
172.05202	6.2
173.00941	0.9
173.06055	2.9
175.07602	3.0
179.05542	2.3
187.07613	1.9
189.05505	9.2
189.07082	1.0
190.06262	11.0
191.01947	2.8
204.07994	0.8
205.08621	6.7
209.02969	1.5
221.06599	1.3
229.70938	0.8
253.09178	4.1
266.06165	1.1
281.08301	2.7
283.19247	0.8
295.10223	2.5
296.10495	5.2
309.20798	0.8
311.09674	1.4
311.12912	6.3
312.13428	0.9
327.12497	0.7
327.21735	8.5
328.21732	0.7
329.13892	1.0
341.13931	43.9
342.14240	5.6
503.19214	10.9
504.19781	1.7
521.20862	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	563.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73465	0.3
69.03330	1.1
69.62035	2.0
72.05807	0.2
78.95778	1.2
93.03325	1.2
98.19884	0.5
104.63105	0.2
106.04131	0.6
107.04913	3.6
108.02071	0.5
109.02833	1.0
117.03343	1.8
119.04930	0.7
121.02849	4.3
123.04434	0.5
123.76972	0.2
131.04947	0.8
133.02840	0.9
134.03638	26.8
135.04419	100.0
136.04768	3.1
143.04951	0.3
147.04431	0.8
149.02373	0.7
149.05989	0.5
152.99498	0.8
159.04497	0.7
160.05212	4.6
163.47174	0.2
175.07581	0.5
196.69780	0.3
204.46603	0.3
277.08835	0.4
291.10214	0.3
367.13327	1.6
369.11389	0.4
379.13293	1.3
397.14505	6.1
398.14764	0.9
409.14545	0.8
415.15509	0.9
427.15494	7.2
428.15964	0.9
485.17529	0.6
497.18027	0.5
503.18552	0.8
506.24704	0.4
515.18890	2.6
533.19843	3.1
534.20282	0.8
545.19879	3.1
546.20313	0.5
563.20935	2.3
563.34290	0.3
564.20850	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65166	0.2
59.01253	3.0
61.98717	0.4
62.27716	0.2
65.03834	0.4
67.01766	0.4
69.03326	3.1
69.55730	0.6
69.56144	1.0
71.01256	0.3
73.02839	0.2
75.00755	0.3
78.95782	3.9
84.02049	0.5
85.02843	0.5
91.01747	0.2
93.03338	8.5
95.01215	0.2
96.96858	0.2
99.73958	0.2
107.04913	0.7
108.02032	1.1
115.05428	4.0
117.03340	0.7
118.15098	0.2
119.04924	3.7
121.02852	88.7
122.03195	2.9
124.98252	0.2
130.04141	2.1
131.04939	1.5
132.05670	0.4
133.06491	0.8
135.04410	0.9
143.04938	10.5
145.02869	0.3
145.06516	2.8
147.04431	3.1
149.06033	0.3
152.99500	3.3
156.05672	0.3
158.03624	0.5
159.04456	0.6
160.05208	3.3
161.05902	1.0
166.98413	0.2
167.04927	0.2
169.06448	0.3
173.05995	1.9
183.08105	0.2
192.04234	0.9
193.06540	0.6
195.04437	0.3
195.08171	0.5
197.06013	0.7
205.06558	0.3
207.08031	0.9
210.06688	0.3
211.07576	0.6
213.05501	0.4
219.08020	0.4
221.05968	0.4
223.07584	0.8
225.05530	0.8
225.09264	0.3
233.06041	0.7
234.06812	0.4
235.07617	1.0
236.08311	0.4
237.05460	0.3
237.09200	1.4
239.07130	1.1
245.05811	0.3
246.06691	0.3
247.07518	1.1
248.08411	0.3
249.09254	1.3
251.07259	0.3
253.09163	0.3
261.09192	0.6
271.07559	0.3
277.08685	0.5
279.10306	0.3
289.08853	0.3
293.11816	0.3
309.09265	0.6
311.10919	1.6
321.09198	0.7
322.09918	0.3
323.10803	2.1
324.11359	0.7
325.12317	1.1
326.32986	0.2
327.10260	0.4
327.21637	0.4
329.11874	2.9
330.12332	0.3
333.09186	0.2
334.09796	0.3
335.10648	1.5
336.11459	0.6
337.08862	0.3
337.12393	2.0
339.10193	2.4
339.13754	0.3
340.10745	0.3
341.11856	3.4
341.21008	0.2
342.12546	1.8
343.13361	0.6
347.10788	0.5
348.11700	0.3
349.08679	0.3
349.12381	2.3
350.12881	0.4
351.10236	2.7
351.14099	0.4
352.10782	0.6
353.11890	3.1
354.12631	2.9
355.13321	4.2
356.14014	0.5
357.11359	3.6
358.11737	0.4
359.10663	0.3
361.12268	2.6
362.12872	0.4
363.13867	0.8
365.11816	0.8
366.12555	0.6
367.09619	0.3
367.13464	3.1
368.13910	0.6
369.11319	6.7
370.11682	0.7
373.12326	1.8
374.12390	0.6
375.14111	1.1
377.11722	1.3
378.12329	0.8
379.13397	2.1
380.13959	0.7
381.14847	0.8
383.12793	0.3
385.14166	0.4
386.11765	0.6
387.12714	0.7
391.13416	2.8
392.13943	0.6
393.14954	1.2
394.15454	0.4
395.12781	0.6
396.13727	0.5
397.14554	1.2
403.13513	0.4
405.14944	0.7
408.13593	0.4
409.14658	1.4
411.16006	0.9
415.15659	1.7
421.14426	0.9
423.16153	1.6
425.15686	0.2
429.14246	0.3
437.15778	0.3
439.13153	0.3
441.15393	0.4
445.20221	0.5
453.15103	0.5
455.16599	5.4
456.16995	0.7
457.17917	0.6
459.15952	0.7
465.15210	1.3
467.16544	9.6
468.16992	1.8
471.16196	0.5
472.16827	1.0
473.17590	22.3
474.17905	3.7
479.16690	1.9
480.17062	0.4
483.15994	1.5
484.16656	3.0
485.17606	35.7
486.17975	6.0
497.17892	3.7
498.17908	0.7
501.17456	0.3
502.17868	0.3
503.18832	5.3
504.19043	0.8
515.19116	5.8
516.18903	0.9
527.17615	0.8
533.19739	39.2
534.20111	7.1
545.19720	98.8
546.20062	16.7
563.20758	100.0
564.21088	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	563.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47008	0.1
51.48756	0.1
56.99689	0.2
59.01246	0.5
64.10886	0.1
69.82586	0.7
71.01260	0.7
72.99180	9.7
73.99535	0.1
75.00746	12.9
82.31376	0.1
82.51585	0.1
85.02823	0.3
85.79186	0.1
87.00739	0.1
88.08180	0.1
89.02316	0.5
98.19859	0.2
99.00778	0.2
101.02320	0.5
113.02336	0.4
114.50079	0.1
119.03431	0.2
123.04414	0.5
127.04996	0.2
133.04962	100.0
134.05295	2.6
161.04462	0.3
164.03467	0.2
178.04903	0.1
179.05522	0.1
194.68893	0.1
277.08157	0.2
292.08780	0.1
295.10034	0.4
323.09793	2.3
329.13794	0.1
355.43597	0.1
399.11475	0.3
401.13614	0.4
447.14709	0.2
507.20773	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	563.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40751	0.6
50.41020	0.6
55.01749	0.9
55.35023	0.6
58.00460	1.7
59.01249	50.0
60.01564	0.9
69.60808	2.0
69.61231	3.0
71.01252	37.6
72.38915	0.6
72.99173	3.6
75.00744	8.1
83.01241	1.3
85.02808	4.0
85.40522	0.6
87.00758	1.4
88.17313	0.8
89.02316	39.2
93.02641	0.6
95.01273	1.5
101.02322	17.6
102.02754	0.7
103.44257	0.6
113.01523	0.7
113.02324	13.1
115.03915	3.4
119.02563	1.2
119.03386	18.4
123.04395	6.2
131.03380	1.5
133.04961	9.6
143.03419	1.8
148.02988	0.6
149.04396	1.0
151.13910	0.7
161.04498	2.4
179.05537	3.2
185.15617	0.7
202.82436	0.8
237.06209	3.3
295.10330	100.0
296.10666	5.7
340.40036	0.8
402.22623	0.7
526.87878	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74438	0.5
53.12333	0.6
55.01746	0.7
57.03318	2.4
58.92352	0.6
59.01252	7.6
61.98691	1.7
67.01750	2.9
69.74910	3.9
71.01255	5.4
72.99175	6.4
73.02827	5.8
75.00755	0.6
78.95745	0.8
80.96406	0.7
83.01262	3.5
85.02824	38.9
86.03156	1.1
87.00761	0.7
89.02319	2.7
96.95896	1.8
97.06440	0.9
98.19791	1.2
99.00741	1.2
101.02328	5.0
111.00763	100.0
112.01093	2.5
113.02351	1.9
117.01813	4.1
121.02816	0.7
129.01831	13.4
129.06982	0.7
133.02850	1.0
133.04974	0.9
134.03645	1.3
147.02841	1.0
154.99760	15.5
160.01556	1.1
160.05212	0.9
161.02365	1.0
161.04453	1.3
165.01837	2.5
171.04259	0.6
171.10199	2.6
173.00835	42.6
174.01135	1.3
174.03160	1.5
176.04720	1.1
183.13826	2.5
187.03963	1.2
191.01903	42.9
192.02284	1.0
197.06001	1.1
202.06367	1.1
209.02933	1.9
211.13361	2.7
227.03627	0.7
229.14415	0.8
238.11374	0.6
243.02902	1.3
253.09293	7.4
271.02499	14.3
272.02933	1.4
283.16870	0.7
299.01974	20.5
300.02557	3.4
304.43298	0.6
309.14944	14.7
310.15417	1.5
314.04306	21.0
315.05045	10.3
316.05597	0.8
326.20532	1.0
327.16016	17.9
327.21790	20.5
328.16391	2.1
345.17093	15.5
346.17453	1.7
353.14038	0.9
371.14877	3.0
477.10449	1.5
503.32224	2.8
519.11475	15.5
519.18475	0.8
520.12085	2.0
563.30634	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	563.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.9
59.00949	0.4
59.01246	7.9
62.41682	0.2
63.38326	0.3
64.64695	0.3
65.00216	0.3
68.91796	0.3
68.99680	0.4
69.61121	1.5
69.61556	0.5
71.01254	3.4
72.99180	15.0
73.02819	0.5
75.00745	100.0
76.01083	0.8
78.95782	0.3
79.43497	0.3
83.01260	1.2
85.02824	6.1
87.00745	0.4
89.02327	0.9
93.03337	11.6
95.01269	1.4
96.00773	0.4
96.95887	0.6
97.02841	0.6
101.02306	1.5
107.03670	0.3
108.02079	1.0
111.00768	4.2
113.02339	1.8
115.03873	2.7
115.97288	0.3
121.02834	1.1
122.06017	1.5
123.04410	8.0
125.02323	0.5
129.01796	0.7
131.04971	0.3
132.88943	0.3
133.04961	96.0
134.05270	2.0
135.04398	0.5
136.00633	0.4
136.01582	3.4
137.02348	17.7
138.02670	0.8
143.04562	0.3
144.31461	0.3
147.02855	0.4
147.04488	0.3
147.06537	0.6
149.02361	0.5
151.00272	0.3
151.03978	0.4
152.04362	0.3
152.07092	2.2
152.19998	0.3
159.04488	0.3
160.05220	0.4
161.05917	0.4
161.22894	0.3
162.07901	0.3
163.00348	0.5
163.03886	0.3
173.00829	1.7
177.05440	0.4
181.51224	0.3
191.01933	1.3
205.04974	0.8
209.03021	0.8
237.10248	0.4
253.09244	0.3
257.88049	0.3
263.05594	3.1
265.09741	0.8
271.02539	1.1
277.09656	0.7
278.10718	0.6
281.06686	7.3
282.06989	0.4
283.02463	0.4
283.13406	0.3
295.10406	0.5
299.02051	1.0
300.02710	1.2
301.03629	1.0
312.02689	0.3
313.03592	1.2
323.07690	7.2
324.07953	0.8
327.15869	0.4
327.21793	0.8
345.16928	0.5
357.13312	0.5
371.10336	0.4
371.14874	0.5
371.60583	0.7
387.10828	2.9
388.11331	0.6
390.53046	0.3
401.12100	0.4
430.17578	0.4
445.11377	5.6
446.11789	0.5
447.12924	8.6
448.13474	0.8
448.89227	0.3
457.11523	0.3
463.12680	0.4
505.13547	22.0
506.13806	3.2
525.66437	1.8
526.16199	0.5
548.15833	0.4
563.17444	3.1
563.31628	0.6
564.17889	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74438	0.5
53.12333	0.6
55.01746	0.7
57.03318	2.4
58.92352	0.6
59.01252	7.6
61.98691	1.7
67.01750	2.9
69.74910	3.9
71.01255	5.4
72.99175	6.4
73.02827	5.8
75.00755	0.6
78.95745	0.8
80.96406	0.7
83.01262	3.5
85.02824	38.9
86.03156	1.1
87.00761	0.7
89.02319	2.7
96.95896	1.8
97.06440	0.9
98.19791	1.2
99.00741	1.2
101.02328	5.0
111.00763	100.0
112.01093	2.5
113.02351	1.9
117.01813	4.1
121.02816	0.7
129.01831	13.4
129.06982	0.7
133.02850	1.0
133.04974	0.9
134.03645	1.3
147.02841	1.0
154.99760	15.5
160.01556	1.1
160.05212	0.9
161.02365	1.0
161.04453	1.3
165.01837	2.5
171.04259	0.6
171.10199	2.6
173.00835	42.6
174.01135	1.3
174.03160	1.5
176.04720	1.1
183.13826	2.5
187.03963	1.2
191.01903	42.9
192.02284	1.0
197.06001	1.1
202.06367	1.1
209.02933	1.9
211.13361	2.7
227.03627	0.7
229.14415	0.8
238.11374	0.6
243.02902	1.3
253.09293	7.4
271.02499	14.3
272.02933	1.4
283.16870	0.7
299.01974	20.5
300.02557	3.4
304.43298	0.6
309.14944	14.7
310.15417	1.5
314.04306	21.0
315.05045	10.3
316.05597	0.8
326.20532	1.0
327.16016	17.9
327.21790	20.5
328.16391	2.1
345.17093	15.5
346.17453	1.7
353.14038	0.9
371.14877	3.0
477.10449	1.5
503.32224	2.8
519.11475	15.5
519.18475	0.8
520.12085	2.0
563.30634	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	563.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53317	2.3
51.74240	2.6
59.01239	10.1
61.98732	2.6
70.73569	3.7
70.73912	5.1
71.01255	2.9
75.00784	2.8
75.40957	2.6
78.95775	18.2
93.03336	9.7
96.95880	26.2
115.05408	2.4
119.04909	10.5
119.49487	2.6
121.02853	39.0
130.04144	9.9
131.04947	25.6
134.03629	8.3
135.04381	17.9
137.02309	4.1
143.04930	8.8
145.06541	2.7
147.04420	24.0
149.05994	12.4
152.99475	11.6
160.05191	3.0
171.10135	3.6
173.05975	5.0
191.05382	2.8
197.05986	2.8
207.08086	2.7
219.08014	3.6
221.05969	5.0
223.07623	3.3
233.09726	2.7
235.07590	6.7
236.08344	2.7
237.09142	5.7
239.07079	3.7
247.07549	9.6
248.08478	4.3
249.05653	12.1
249.09135	6.9
250.06207	4.0
251.07130	6.6
253.09125	5.3
259.07657	3.3
263.06970	6.2
264.07858	4.4
265.08539	7.3
267.10074	3.2
275.06992	8.7
277.08740	3.5
327.21741	7.6
335.10782	3.2
339.10214	4.1
339.14063	2.9
341.11520	4.1
349.12082	3.8
351.10257	3.1
353.11853	4.0
353.36636	2.7
354.12244	3.0
361.12213	3.4
365.11798	6.1
367.09531	2.7
377.11746	4.7
379.13544	3.4
382.12280	4.9
395.12692	4.3
397.14539	3.4
412.13135	4.5
415.15491	7.6
469.14523	10.1
473.17468	4.8
475.15518	6.5
485.18463	12.0
487.15527	8.9
497.17511	10.6
503.14221	46.8
504.15298	6.1
509.13684	3.7
515.14264	100.0
516.14703	11.9
527.14520	45.4
528.15240	7.4
533.19812	81.6
534.19965	11.3
545.19788	95.5
546.20245	13.3
550.55133	2.6
563.20966	47.6
563.29419	2.7
564.00122	2.6
564.20490	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	563.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	3.8
69.46169	5.5
71.01242	1.8
78.95778	93.4
84.00792	1.0
85.02843	0.9
89.02323	0.8
95.96038	1.7
96.00794	0.7
96.95866	3.1
96.96842	81.4
98.19760	1.2
99.00835	0.8
101.02352	0.7
121.02861	0.8
122.98417	1.7
128.03441	1.2
136.01538	1.2
137.01872	0.8
138.97911	6.1
150.98004	1.0
151.03880	1.4
152.99506	2.2
171.10260	1.2
172.08746	1.3
198.06651	2.1
210.10353	0.9
215.51103	0.8
238.09851	1.5
241.07303	16.8
242.08052	12.0
243.08838	18.0
244.09273	1.4
265.93637	0.7
269.10336	2.1
281.10428	1.5
299.11453	2.7
306.07520	1.0
311.11386	2.1
327.21707	2.7
357.14340	0.8
357.19629	0.7
358.13223	1.2
359.13614	26.8
360.13947	2.2
456.10147	2.0
457.11298	100.0
458.11707	8.4
527.46252	0.8
563.31989	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.6
63.23218	0.4
69.11368	0.3
70.70616	0.4
71.58440	0.6
74.14403	0.4
78.95791	0.7
85.02841	0.6
85.25300	0.4
89.70692	0.4
111.00748	1.2
121.02843	100.0
122.03159	3.8
135.04448	0.5
152.50627	0.4
152.99495	0.5
179.03419	84.3
180.03777	4.3
181.06471	2.8
197.06056	1.0
210.54381	0.4
224.04259	0.4
225.05516	1.7
228.63533	0.4
255.06458	0.8
265.05002	0.7
277.05301	0.4
313.07349	2.0
339.19382	0.4
357.06085	0.9
383.07773	1.2
399.08810	0.8
475.10178	4.0
481.40500	0.5
487.10822	0.6
563.12115	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	563.104
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
51.79933	0.4
59.01251	2.4
65.00191	0.8
66.46616	0.4
67.01746	0.5
71.01239	1.1
72.99179	0.6
73.02805	0.7
83.01256	0.6
85.02826	5.4
86.08455	0.5
89.02304	1.0
97.02812	0.8
101.02306	0.7
109.02818	2.6
111.00751	10.9
113.02303	0.6
117.01839	0.5
119.03391	0.5
121.02828	4.1
129.01828	1.5
147.00786	0.7
149.02304	0.6
149.99496	0.5
151.00179	0.7
154.99762	1.7
161.02339	0.7
163.00310	0.5
165.01831	12.0
166.02271	0.9
171.04391	0.6
171.10135	2.1
173.00873	4.7
183.13826	0.8
191.01877	2.5
191.03491	0.7
193.01344	2.6
199.03929	2.7
201.01988	0.6
211.13342	1.3
215.03474	0.9
216.04140	0.5
218.10786	0.5
226.02614	1.3
227.03459	3.9
230.10240	0.5
242.02225	0.6
243.02930	6.8
253.09357	3.1
254.02194	2.3
255.02933	2.4
256.03726	0.8
259.06036	0.6
269.04517	2.5
270.01712	0.8
270.04654	0.5
271.02460	62.6
272.02908	6.2
282.01703	0.5
285.03979	2.8
286.04691	0.6
287.05701	1.0
297.04089	0.9
299.01944	100.0
300.02509	15.4
301.03076	0.7
309.14914	0.9
313.03607	1.0
314.04300	93.9
315.05023	50.9
316.05392	4.3
327.21722	9.1
345.17099	1.9
357.06088	0.6
389.59079	0.5
406.33340	0.5
477.10245	4.3
503.32291	0.6
519.11401	66.1
520.11707	8.8
520.18774	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	5.2
59.01250	15.0
61.98701	2.9
65.00191	1.4
69.38154	12.1
71.01245	8.8
72.99191	3.4
73.02827	2.6
75.00743	1.9
78.95753	1.7
83.01260	5.3
83.04900	1.5
85.02824	36.4
87.00765	1.4
89.02323	5.9
96.95905	1.9
101.02312	5.0
109.02853	3.1
110.74028	1.2
111.00764	48.0
113.02314	3.5
121.02843	4.7
129.01804	8.8
133.02805	4.4
134.03610	3.3
137.02380	1.3
139.85854	1.2
147.02925	2.7
154.99750	5.8
161.02412	1.7
165.01866	15.5
173.00835	22.6
178.02586	1.7
191.01915	7.1
192.28172	1.5
193.01312	2.4
194.27737	1.6
197.11679	3.2
199.03918	4.8
199.13422	1.5
200.04614	1.2
209.02972	5.0
211.13286	3.5
215.03395	1.4
226.02689	1.6
227.03331	2.7
229.14339	1.6
243.02913	7.0
253.09163	6.4
255.02863	2.7
259.06168	1.8
269.04514	2.0
271.02472	72.1
272.02710	6.8
285.04031	4.5
287.05597	2.3
299.01947	100.0
300.02515	14.9
313.03400	2.2
314.04309	83.1
315.05029	52.4
316.05399	3.0
325.20239	2.9
326.20532	3.4
327.16016	1.6
327.21674	11.4
345.16983	1.8
371.15042	1.7
436.33057	1.6
459.09180	2.4
477.10153	4.1
503.31967	2.7
519.11407	65.0
520.11774	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	562.315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04440	0.7
58.03835	0.8
59.01254	15.3
70.00573	4.0
78.95780	18.5
78.98907	0.9
81.34857	0.8
84.62318	0.9
101.73309	0.7
126.80984	0.9
127.83311	0.9
140.01099	3.2
152.99500	3.0
165.12843	1.9
181.12312	1.1
189.66040	0.8
196.03772	3.0
199.13353	27.5
214.04729	4.2
226.73500	1.0
242.08031	1.2
263.20157	56.8
264.20547	2.9
279.19772	1.7
296.22980	0.9
347.25931	9.2
348.26382	1.1
356.02686	0.8
365.26962	100.0
366.27347	9.4
488.27795	13.3
489.28131	2.1
562.31555	21.4
563.32043	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	561.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
64.56422	0.9
71.01247	1.4
71.57493	1.3
78.95776	1.1
86.45307	1.1
93.03341	1.2
106.04111	9.9
108.02036	7.9
127.38432	0.9
127.96112	0.9
138.03137	2.3
171.10184	1.2
190.15924	1.1
259.48267	1.2
277.21848	1.3
283.17017	4.0
293.21277	1.1
297.18576	4.6
347.26019	1.2
361.27484	7.8
416.77588	1.1
454.30835	6.5
455.31409	1.5
486.29697	2.3
561.35828	100.0
562.36182	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42509	0.4
55.01744	0.5
59.01254	2.1
62.96296	0.7
71.04848	0.6
71.28716	0.5
78.95777	36.6
80.96391	1.7
85.02845	0.5
85.06460	1.4
99.04340	0.5
107.04247	0.5
111.00732	0.7
111.14709	0.5
121.99999	1.3
139.07538	0.9
140.01067	8.7
152.99457	2.8
163.11206	1.3
165.12790	1.4
166.02628	0.6
181.12320	1.1
196.03731	14.5
199.13338	23.0
200.13718	1.3
214.02957	0.7
214.04796	3.3
229.52483	0.6
261.18661	0.8
279.19659	9.4
280.19836	0.9
327.21619	0.6
347.25955	6.1
348.26202	0.9
354.04733	0.4
365.26959	100.0
366.27255	9.7
395.28137	3.7
478.20117	0.6
562.31494	54.2
563.25226	1.3
563.32153	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	561.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30817	0.8
70.31741	1.4
78.63345	0.7
78.63888	0.7
84.33027	0.8
93.03348	1.9
106.04128	14.4
108.02043	8.9
121.02847	5.7
124.01550	1.1
138.03134	3.5
164.58960	0.7
169.12352	0.9
209.11748	2.1
214.55315	0.8
225.08981	0.9
277.21634	2.8
305.21194	2.4
344.36829	0.7
347.25885	2.8
348.26761	0.8
361.27567	5.3
365.24722	1.4
380.25681	3.7
393.24307	11.9
394.24841	1.5
397.23727	2.3
411.25394	29.8
412.25790	4.5
429.22867	2.8
453.30237	1.2
455.31586	2.8
468.28833	2.1
478.50046	0.9
486.30136	1.3
561.35846	100.0
562.36169	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	561.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01527	0.9
57.28270	0.9
59.31773	1.0
64.11206	0.9
71.01221	1.1
78.95742	0.9
93.03307	1.8
96.91992	0.8
98.20564	2.0
106.04118	11.9
107.04922	1.2
108.02051	7.7
113.05944	1.1
138.03098	2.8
171.10194	1.4
189.12576	0.9
217.78624	1.0
277.21964	1.0
282.02225	1.1
283.16833	4.7
297.18503	5.7
355.29001	1.1
361.27426	5.3
437.30539	1.5
454.30792	6.6
455.31400	3.2
486.29868	3.5
561.35822	100.0
562.36237	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	1.2
59.01252	100.0
59.21979	1.0
61.87774	1.0
61.98687	1.2
69.03363	1.2
69.51313	0.9
69.55895	7.1
71.01257	21.5
71.04852	1.3
72.99207	1.3
73.02821	4.0
75.00758	2.5
78.95778	9.8
83.01275	1.7
85.02831	8.7
87.00743	2.4
89.02328	6.4
95.01231	1.5
95.04923	1.1
96.95901	3.0
97.02809	1.5
99.00767	3.8
99.04374	1.3
101.02325	13.2
107.92535	1.0
109.06466	1.6
113.02332	9.6
116.57423	1.1
119.03398	1.5
121.02811	1.5
122.98473	1.0
133.04951	1.4
143.03351	2.3
146.83000	0.9
147.04420	1.2
149.72479	0.9
152.99516	3.5
159.02888	3.5
161.04448	17.4
171.10234	1.6
179.05550	1.9
210.92981	4.0
213.49942	0.9
223.40294	1.1
223.85204	1.1
225.14964	1.0
237.14934	3.3
253.09282	3.8
283.18713	1.2
289.18063	2.3
309.20560	1.6
325.20227	9.3
448.21555	1.3
475.22946	1.3
501.30640	17.0
502.30957	3.1
561.19342	2.4
561.28326	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	561.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	1.9
59.01254	100.0
62.40041	1.0
71.01255	23.1
71.04912	1.2
71.58218	1.4
71.58625	1.4
72.01595	1.2
72.99177	1.7
73.02821	6.1
75.00736	2.4
78.95780	9.7
83.01260	1.5
85.02825	10.0
87.00753	1.5
89.02322	5.8
91.52950	1.0
95.01264	2.3
96.95889	4.3
99.00779	4.6
101.02332	12.4
107.33289	1.1
113.02339	11.7
119.03401	2.5
119.04848	1.2
121.02816	1.6
125.02372	1.3
125.09585	1.2
135.04465	1.9
143.03476	1.4
152.99478	4.9
159.02914	1.9
161.04474	22.1
163.03961	1.6
171.10252	1.6
177.03311	1.1
179.05588	2.0
197.11691	1.6
209.11858	1.3
210.93033	3.0
225.15005	1.1
237.14876	3.2
238.15239	1.1
253.09251	6.1
289.18097	2.2
304.47449	1.1
309.20673	1.8
325.20203	10.3
326.20340	1.3
501.23892	2.1
501.30765	25.5
502.30881	2.8
506.88037	1.1
561.19489	2.1
561.28418	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	561.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	10.1
69.58978	5.0
71.01248	2.3
71.26509	0.7
72.99197	0.7
73.02832	0.7
80.96388	2.3
82.42269	0.6
83.01286	0.8
84.02011	0.9
85.02826	5.6
89.02328	0.9
93.03384	1.0
93.83696	0.7
95.01279	1.0
96.95875	3.2
101.02330	1.5
108.02046	1.7
109.02810	1.0
111.00780	2.5
113.02323	1.1
121.02839	17.4
122.03633	2.1
131.07005	1.1
133.04973	1.5
134.03661	0.9
135.04385	0.7
136.01559	88.4
137.02019	3.3
151.03914	100.0
152.04218	5.2
159.04485	0.8
160.05138	1.1
161.02306	0.8
162.03145	1.9
163.03889	1.4
173.00803	0.8
175.04004	1.0
175.07463	1.6
177.05540	1.1
184.66711	0.6
191.01855	1.5
209.02884	1.1
225.00708	0.9
293.99869	0.6
297.11331	8.3
342.10916	4.3
357.13419	99.2
358.13712	11.0
501.30899	1.9
521.17902	0.6
534.47559	0.7
543.21472	1.6
561.22327	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	561.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70850	0.3
57.03318	0.3
58.00211	0.3
59.01239	1.6
61.99881	0.4
69.03300	0.5
69.26562	0.3
71.01257	0.8
71.58041	0.6
75.00742	1.8
78.95770	1.5
85.02829	0.7
89.02322	0.4
91.95296	0.3
93.03343	3.0
93.67575	0.3
96.95892	2.3
107.33342	0.4
108.02056	0.5
111.55474	0.3
113.02372	0.6
119.04913	1.4
121.02846	23.0
122.03207	0.6
130.04128	0.4
131.04932	0.5
143.04919	1.4
145.06526	0.5
147.04407	2.2
152.99529	0.9
158.03673	0.6
159.04538	0.5
160.05215	1.9
161.02336	0.5
161.05997	0.7
171.04359	0.6
171.10161	1.0
173.05930	0.7
192.04201	1.3
193.08330	0.6
195.13771	0.5
201.11285	0.5
207.10188	0.5
209.11641	0.4
211.07614	0.5
213.14914	2.6
223.09540	0.5
233.11523	0.7
235.07652	0.4
235.89011	0.3
249.11171	0.4
251.07068	0.4
259.13315	0.3
263.07089	0.5
264.07855	0.5
265.08658	0.8
269.17566	0.7
289.18552	0.4
308.43326	0.4
311.10727	0.8
311.22205	0.5
311.68155	0.3
323.10724	1.2
325.20190	2.8
329.11819	0.9
329.17249	0.4
335.11023	0.4
337.12479	0.5
339.10260	1.8
341.11798	1.2
342.12445	0.8
349.12231	0.4
351.10156	0.6
352.10840	0.4
353.11926	2.6
355.13437	0.7
357.11258	1.8
361.12195	1.2
365.11807	0.9
367.09827	1.9
369.11362	1.5
370.12015	1.0
377.11783	0.9
379.13354	1.0
383.12851	1.0
385.10776	2.7
389.11832	1.1
391.13535	0.9
393.11008	0.7
405.11163	0.4
407.12894	1.9
409.14398	0.8
411.16183	0.4
413.13760	0.4
419.12933	0.4
421.14307	1.0
424.12970	0.5
425.13931	1.1
437.14249	0.6
439.15186	1.1
453.15250	0.6
455.16550	4.1
456.17093	0.6
467.16568	1.4
468.16406	0.5
471.16025	0.7
472.17026	0.6
473.17581	5.1
474.17746	0.5
481.14511	0.4
483.16119	3.9
484.16397	0.6
485.17426	1.1
495.16168	2.2
495.22363	0.5
496.16241	0.5
500.16467	1.0
501.17099	20.4
502.17303	2.3
503.18240	0.4
513.17090	7.5
514.17255	0.9
531.10590	0.6
531.18121	7.5
532.18420	1.1
533.19318	0.6
543.18353	2.5
544.18665	0.5
560.28003	0.5
561.19183	100.0
562.19482	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	561.055
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.8
61.98693	0.6
64.84735	0.2
71.01255	0.5
71.57373	0.2
72.99174	0.4
73.02823	0.2
75.00751	0.4
78.95783	0.3
79.95608	2.3
80.96397	0.5
83.01279	0.2
84.13895	0.2
85.02804	0.9
94.97950	0.2
96.95888	100.0
97.95814	0.4
101.02313	0.2
111.00719	0.3
117.01839	0.2
123.00739	0.2
126.88763	0.2
133.04974	2.2
147.06555	0.2
150.21332	0.2
191.01865	0.3
240.56853	0.1
254.66960	0.2
255.02942	0.2
271.02573	0.3
300.02802	0.3
301.03400	0.2
399.00430	0.8
463.08652	0.4
560.20850	0.6
561.20886	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00728	1.2
55.01753	1.1
57.03331	2.2
57.40349	0.9
58.00460	1.2
59.01253	26.9
60.01608	1.4
65.62704	1.1
68.02394	1.5
68.99677	1.3
69.03337	2.5
71.00883	2.1
71.01250	18.7
71.57610	1.5
72.01572	1.3
72.99187	4.6
73.02818	3.8
75.00754	16.1
78.95781	7.2
83.01260	2.3
85.02822	17.5
87.00774	6.9
89.02293	4.6
93.03339	1.9
95.01247	4.4
99.00758	9.4
101.02316	4.4
103.00202	2.0
111.00783	1.7
113.02332	20.2
115.00229	1.3
117.01839	1.8
121.02889	1.7
126.99461	10.1
127.99814	2.9
128.99159	7.2
129.01776	2.1
130.33890	1.1
133.03821	3.3
134.04570	5.1
152.99493	1.3
167.01108	2.2
175.02359	2.1
195.13849	3.3
205.07082	1.1
207.17467	2.7
213.12677	1.1
215.14409	1.1
221.15280	1.5
223.16966	9.9
224.17484	1.2
233.15433	5.7
235.16916	1.3
249.06171	11.4
251.16544	27.0
252.16820	2.0
261.70276	1.2
267.07117	2.0
273.84821	1.2
291.19623	3.8
309.20740	12.3
310.09366	2.1
342.46689	1.2
355.14969	1.1
427.25479	9.3
441.16241	1.8
477.22571	3.2
529.16663	1.7
541.17865	2.4
541.26453	4.6
559.27570	100.0
560.19531	2.2
560.27832	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	559.276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	2.0
57.03314	3.2
59.01255	16.0
60.05947	0.9
69.03332	0.8
71.01255	17.6
72.99192	6.4
73.02802	1.0
75.00749	15.4
78.95773	1.8
83.01242	1.2
83.04884	0.9
85.02827	23.8
87.00754	8.1
89.02312	4.2
95.01266	5.0
98.20586	1.8
99.00769	10.0
103.00241	3.2
103.46152	0.7
111.00807	0.8
112.41528	0.9
113.02338	24.7
115.00256	2.4
117.01823	2.3
129.01793	1.6
145.63356	0.9
174.59039	0.7
175.02393	3.6
177.59969	0.7
195.13806	3.1
207.13806	1.2
207.17522	1.2
221.15350	1.0
223.08029	0.9
223.16962	6.0
224.17355	1.4
233.15375	5.1
249.06143	4.6
251.16505	20.8
252.17052	1.0
254.88695	0.8
267.07309	4.5
291.19675	3.0
309.20679	7.6
529.09094	0.9
541.26709	2.1
559.27570	100.0
560.27917	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	559.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.4
59.01233	1.4
63.96109	0.5
69.03336	0.6
69.81221	0.4
69.81534	2.6
71.01250	6.8
73.02819	1.1
78.98454	4.7
79.26398	0.4
79.95598	7.7
80.96386	51.8
84.55217	0.4
85.02827	2.7
87.00738	2.1
94.97959	13.0
96.95856	1.6
97.02821	1.3
98.02338	0.5
99.00745	0.9
101.02326	2.1
106.97948	2.8
122.97458	2.4
125.02331	3.1
127.03831	0.5
134.97464	4.8
136.99008	1.7
148.99039	5.2
152.98526	4.7
164.98540	11.5
167.00082	0.8
179.00058	0.5
206.99600	2.6
209.11801	2.7
221.09351	0.4
225.00688	18.2
226.00995	0.5
227.12961	0.6
271.02194	0.4
277.81165	0.4
287.01627	0.7
299.04382	3.1
355.07184	0.5
361.18524	0.7
527.17859	3.0
559.20605	100.0
560.12262	0.6
560.21033	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	559.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45654	0.4
59.01250	2.0
63.96107	1.1
69.03323	0.7
71.01254	8.8
71.45230	0.3
71.57919	0.5
72.99149	0.7
73.02809	1.3
78.95789	0.4
78.98468	5.7
79.95601	10.5
80.18627	0.4
80.83342	0.4
80.96388	71.0
81.03306	0.9
83.01254	0.5
85.02819	4.3
87.00746	2.7
89.02357	0.3
94.97958	16.9
95.01235	0.5
96.95898	3.8
97.02814	1.6
98.02336	1.4
98.95457	1.2
99.00736	1.1
99.01869	0.9
101.02296	2.7
106.97955	2.9
113.02340	0.7
121.02772	0.5
122.97478	2.5
125.02367	3.0
127.03880	0.8
133.65852	0.4
134.97496	5.3
136.99030	1.9
143.03410	0.4
148.99055	7.2
152.98517	6.4
153.98901	0.3
164.98541	13.6
165.98891	0.6
197.11853	0.4
204.59256	0.4
206.99590	2.7
209.11794	3.5
225.00679	19.8
226.01089	0.7
299.04413	3.9
361.18832	0.5
386.81171	0.4
397.16003	0.4
433.20816	0.4
526.11115	0.4
527.18182	3.9
559.20636	100.0
560.20892	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	558.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01247	1.7
65.45101	1.4
68.88494	1.5
69.61440	6.4
69.61871	5.6
78.95776	23.4
80.25203	1.4
104.50108	1.7
126.23801	1.9
128.47766	1.4
152.96883	1.5
152.99466	4.2
162.89226	1.4
168.04222	2.5
199.38571	1.7
224.06938	6.5
242.07996	2.2
283.26419	100.0
284.26810	6.7
327.63898	1.6
354.52771	1.5
402.83475	1.7
508.34058	61.0
509.34537	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	558.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02519	0.4
76.98354	0.4
78.95779	16.9
96.96851	1.5
98.19783	1.5
122.00032	1.0
140.01085	3.1
152.99516	5.7
153.99892	0.6
196.03719	3.9
214.04790	3.1
241.01115	1.9
241.21713	2.9
242.01537	0.5
242.22069	2.6
277.21655	0.4
279.23282	100.0
280.23636	6.7
289.07095	0.5
476.27795	21.9
477.28259	2.7
557.27094	0.6
558.27551	7.7
571.93292	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.4
57.03319	0.3
58.00455	0.6
59.01250	100.0
60.01589	1.0
68.02406	2.9
69.03323	0.7
71.01254	16.6
72.01590	0.3
72.99165	0.5
73.02818	27.8
74.03159	0.5
75.00752	0.6
81.03312	0.3
83.01258	7.4
85.02829	2.3
86.03185	0.2
86.65999	0.2
87.00748	0.6
89.02319	4.1
95.01256	0.8
97.02818	0.4
98.19822	0.3
99.00749	0.3
99.04378	0.2
101.02320	26.8
102.02634	0.4
111.00805	0.2
113.02332	7.7
117.01825	0.2
119.03390	2.8
123.21783	0.2
125.02349	1.0
126.98594	0.3
126.99463	4.2
131.03398	2.6
138.83659	0.2
141.99918	0.2
143.03392	2.7
149.04460	3.7
150.04808	0.2
155.03432	1.0
161.04463	7.0
166.09718	0.5
167.09923	0.2
179.05473	0.3
181.57106	0.2
181.81151	0.2
191.05498	0.3
203.05536	1.0
221.06595	0.9
259.59811	0.2
314.60373	0.2
442.34274	0.2
563.27838	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	6.5
60.01580	1.1
61.01680	0.9
61.98703	100.0
66.22604	0.3
69.29516	2.9
78.95770	6.2
80.96241	1.1
96.96867	0.3
110.98461	0.3
141.36713	0.3
152.99538	1.0
168.04195	0.5
181.35989	0.3
194.23883	0.3
224.06900	1.1
225.07341	0.5
226.07321	0.7
237.03920	0.4
242.29379	0.3
249.60510	0.3
255.23286	11.1
255.25961	0.6
256.23624	18.0
257.23898	9.6
258.24149	5.6
281.24872	0.4
282.25473	0.3
480.30969	1.6
481.31168	3.4
482.31494	5.7
483.31827	13.9
484.32086	0.6
495.65472	0.4
557.28912	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22420	0.7
56.42391	0.7
57.03330	1.4
59.01238	3.3
70.69212	0.8
70.69545	2.2
71.01242	1.2
72.76877	0.7
78.95776	36.4
85.02785	1.0
87.00743	3.2
89.80048	0.7
92.41858	0.8
96.95879	2.0
96.96828	3.3
99.08038	4.4
105.22863	0.8
106.55880	0.8
121.02826	1.1
124.69153	0.7
125.09586	2.0
127.11163	2.9
139.11140	1.0
152.99492	38.6
167.14427	0.9
171.00563	3.6
171.10205	8.0
181.12317	0.9
183.13812	5.3
185.11789	1.2
193.12305	1.6
197.11761	0.8
199.13284	2.6
209.11792	1.8
211.13336	25.1
212.13646	1.4
227.03169	2.6
229.14436	16.5
230.14757	1.4
245.04413	1.3
293.21207	2.2
302.77097	0.8
311.22241	1.6
329.23318	41.7
330.23743	2.9
335.22003	1.5
415.15451	1.0
465.22604	2.0
497.24261	1.0
519.31757	2.8
557.27295	100.0
558.27563	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	557.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97736	1.1
59.01237	3.5
59.42030	1.0
69.43851	10.1
71.01239	1.3
71.04902	1.3
78.95773	26.3
83.04899	1.4
85.02798	1.6
96.95903	1.4
96.96825	2.7
99.08028	10.2
121.02832	1.4
125.09609	2.5
127.11185	4.8
128.03346	1.4
139.11186	6.1
147.04462	1.3
152.99486	24.8
162.06195	1.4
171.00513	4.0
171.10187	19.6
172.10460	1.7
183.13855	8.6
185.11787	1.6
193.12236	3.9
209.11720	3.0
211.13339	48.7
212.13680	4.3
229.14420	31.6
245.04262	2.8
293.21088	2.8
311.22150	2.0
317.89801	1.2
329.23328	89.6
330.23688	6.9
342.77582	1.3
383.60062	1.4
557.27246	100.0
558.27472	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20010	0.6
61.76402	0.6
61.98673	0.8
62.36957	0.6
62.61872	0.6
71.57695	0.8
71.58103	1.0
75.00765	1.3
78.95779	79.8
96.88557	0.6
96.96841	15.7
108.27281	0.7
134.18373	0.7
150.97881	1.3
152.99492	72.0
153.99875	0.9
167.01009	2.4
171.00584	0.8
223.00117	1.6
241.01155	37.6
241.21701	78.1
242.01395	0.8
242.22043	5.1
279.23270	3.6
315.04898	11.4
317.97363	0.7
336.69894	0.7
340.61322	0.8
377.20941	8.3
392.07907	0.8
395.22043	1.4
547.69891	0.7
557.27325	100.0
558.27484	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	557.135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39917	0.7
59.01254	2.7
60.67337	0.7
68.70592	0.6
69.46043	6.5
71.01244	1.4
78.95779	59.3
79.95596	1.6
85.02836	0.9
87.00770	0.7
89.02333	0.9
93.88681	0.7
96.95905	43.9
96.96855	100.0
97.68896	0.8
98.02364	13.7
98.02961	1.1
98.20556	0.8
101.02296	1.0
107.50453	0.7
108.96704	0.7
116.62772	0.6
119.03339	1.1
152.99522	0.9
196.91890	0.7
242.91483	0.7
274.82645	0.8
388.43417	0.8
398.05771	1.0
419.08392	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08612	1.0
53.05342	0.9
55.01756	2.1
56.73859	0.8
57.03313	3.9
59.01252	17.5
59.73090	0.8
62.26613	0.9
65.03838	13.5
67.01750	0.9
69.47016	8.2
71.01256	23.9
71.04894	6.1
72.99193	8.8
73.02809	2.2
75.00745	21.3
78.95772	7.1
79.39784	0.9
83.01243	1.3
85.02824	24.8
87.00748	7.8
89.02323	5.6
95.01260	5.3
96.95898	1.5
96.96886	1.0
97.06474	12.0
99.00747	9.5
103.00255	2.6
111.00718	1.5
113.02334	34.2
114.02717	1.1
115.00290	1.1
117.01829	2.1
119.08499	1.4
121.05647	1.2
121.06487	16.1
123.08091	1.2
125.09626	8.9
129.01811	1.5
136.68391	0.9
137.09671	1.0
152.99525	2.8
155.99063	0.9
157.01355	1.8
171.10216	1.8
175.02396	2.9
185.11774	15.6
193.03622	1.5
205.07112	2.2
209.11836	7.6
211.13377	7.1
235.13388	13.4
249.06158	5.5
260.35074	1.0
267.07211	9.3
278.18478	0.9
289.17975	1.8
307.19098	6.0
329.23218	4.0
386.25070	1.0
410.48212	1.0
450.40976	1.0
459.56079	0.9
463.92603	1.1
539.25256	3.9
557.26086	100.0
558.26324	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	557.0605
Annotation	Quercetin 3-methyl ether 5-glucoside-3'-sulfate
Peak:m/z	Relative Intensity
57.03305	0.6
58.02819	0.5
59.01237	1.2
61.15993	0.5
61.98703	0.9
64.04285	0.5
65.00195	2.9
71.01250	0.7
71.58004	0.6
72.02674	0.4
72.99164	0.8
78.81385	0.5
79.95608	30.4
80.96391	2.1
85.02812	3.5
93.03335	3.2
96.95884	2.1
97.02803	1.4
109.02867	2.5
111.00785	0.6
113.07036	0.5
121.01971	0.5
121.02840	9.6
122.06005	0.9
128.03416	0.9
129.01823	0.7
133.04958	0.8
137.02319	1.2
139.04015	0.5
143.04556	0.7
147.02898	0.9
149.02351	0.6
149.99500	1.1
151.00253	1.0
152.07071	2.5
158.02370	0.9
163.00317	0.8
165.01843	28.9
166.02162	0.7
187.97752	2.3
190.05005	4.5
191.01900	1.5
193.01337	4.2
200.98550	3.4
201.08604	0.6
209.02855	0.7
209.11716	0.7
209.18452	0.5
219.94518	0.5
227.03430	0.7
228.04182	0.8
228.98143	1.3
234.35500	0.5
242.02138	0.7
243.02998	1.1
254.02170	1.3
254.07762	0.7
255.02884	1.7
256.03778	1.7
257.04431	0.8
259.06250	0.8
269.04480	0.8
270.01807	0.7
271.02466	10.9
272.03009	1.1
272.08902	1.0
285.04095	1.2
287.05524	0.7
297.00543	0.6
299.01962	10.0
300.02710	9.4
301.03046	1.1
312.02481	0.6
313.03445	2.3
314.04318	14.9
315.05087	47.0
316.05301	3.5
355.13025	5.0
395.00751	28.1
396.01190	3.2
557.06042	100.0
558.06360	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	556.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73751	0.5
59.01245	1.2
60.47050	0.5
78.07176	0.5
78.95777	20.6
80.36388	0.5
92.70741	0.5
96.96823	1.0
98.19683	1.3
121.99955	0.6
140.01060	3.0
142.70128	0.5
152.99478	4.4
163.52139	0.5
171.00494	0.9
196.03716	3.4
198.24409	0.7
214.04826	3.2
230.45261	0.8
240.20573	0.7
277.21722	100.0
278.02802	0.8
278.22076	8.4
306.80923	0.5
474.26257	29.7
475.26657	3.3
556.25909	3.0
569.88629	0.6
584.90051	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19609	1.0
59.01238	5.5
69.60271	3.5
69.60700	4.6
76.18215	1.0
76.48951	1.0
78.95778	66.9
89.72899	1.1
96.95841	1.5
96.96832	2.5
122.00046	2.2
140.01099	13.8
152.99489	16.8
166.02611	1.2
177.53912	1.1
196.03757	21.7
214.04837	4.4
223.00096	1.5
241.01192	5.8
241.21700	13.4
277.21725	100.0
278.22092	10.0
282.68219	1.0
288.82129	1.1
315.04877	2.4
474.26276	69.8
475.26901	7.9
476.28259	1.3
556.25342	4.7
557.27350	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84261	1.7
66.75716	2.3
71.57584	1.7
78.95779	51.2
79.80774	1.7
87.17006	1.7
96.95856	2.1
96.96839	3.4
140.01071	10.1
152.99492	17.2
196.03740	14.9
214.04813	3.7
241.01277	3.0
241.21693	7.6
277.21719	100.0
278.22156	12.2
279.22391	3.7
315.05078	1.9
368.78714	2.1
474.26224	59.3
475.26666	6.1
496.23230	1.9
504.30072	4.9
556.26758	3.3
557.18622	2.5
557.27350	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	555.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88221	1.3
61.49959	1.6
63.96103	2.0
69.03333	1.5
70.81467	4.7
71.01257	8.1
73.02810	2.7
78.95786	2.0
78.98466	5.4
79.95606	13.8
80.96390	76.5
85.02826	3.3
87.00728	3.1
89.51572	1.5
94.97959	16.3
97.02824	2.9
106.97967	2.2
116.42165	1.5
122.97511	3.0
125.02285	2.3
134.97510	4.6
136.99118	1.7
138.53659	1.5
148.99031	4.7
152.98549	5.8
164.98581	13.7
206.99651	3.6
225.00732	15.9
241.59741	1.7
255.23285	5.3
256.23605	2.6
299.04449	3.7
385.69675	1.7
413.60315	1.8
555.28424	100.0
556.28864	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	555.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.3
63.96106	1.0
69.03312	0.7
70.01631	1.7
71.01244	7.0
73.02805	1.7
78.98459	6.6
79.95604	10.1
80.96387	70.4
81.03328	0.5
85.02834	3.2
87.00739	2.9
94.97956	17.2
96.95883	1.1
97.02827	1.4
99.00738	0.5
99.04371	0.4
101.02332	1.9
106.97974	3.6
108.81871	0.4
113.02306	0.5
122.97455	3.6
124.88135	0.3
125.02353	3.9
127.03887	1.0
134.97467	5.6
136.99042	1.1
146.97473	0.4
148.99025	5.9
150.91510	0.4
152.98532	5.8
155.00188	0.4
164.98532	12.3
167.00075	0.6
206.99606	2.9
225.00685	15.1
226.01053	0.5
233.18900	0.4
255.23233	2.0
299.04355	3.5
312.27713	0.4
555.28394	100.0
556.28748	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2843
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
59.01245	2.0
61.98692	1.2
63.96120	1.1
69.52827	4.9
71.01256	7.3
73.02820	1.4
78.95783	2.5
78.98470	6.2
79.95613	9.9
80.96394	69.3
81.03339	1.0
83.01242	0.6
85.02808	3.5
87.00758	3.4
94.97968	16.5
96.95895	1.6
97.02831	0.8
99.00790	0.8
101.02333	2.4
102.44418	0.5
106.97974	2.6
113.02322	0.6
118.41577	0.6
122.97455	2.7
125.02354	3.1
127.03923	0.9
134.05988	0.7
134.97493	4.8
136.99072	1.5
148.99065	6.6
152.98543	6.0
152.99596	1.0
155.76222	0.6
164.98544	12.2
184.93719	0.6
188.98470	0.9
206.99586	2.4
225.00711	16.2
234.14716	0.6
255.23268	4.6
256.23627	1.4
269.24829	1.3
270.24997	0.7
299.04358	3.3
305.24908	1.0
438.84821	0.6
463.88107	0.7
481.31686	0.7
494.32178	0.8
509.74451	0.7
555.28418	100.0
556.28778	12.3
557.91119	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89005	0.9
57.03313	2.8
58.02852	1.1
59.01263	5.5
61.98690	1.8
69.03318	1.9
70.44221	4.2
71.01244	2.7
71.04866	1.8
73.02808	1.3
75.00739	2.5
78.95778	47.3
85.02821	4.7
95.04922	1.5
96.95917	2.4
96.96835	5.0
97.02790	1.0
97.06458	4.8
102.01865	1.3
119.04934	1.4
121.02816	4.5
125.09582	1.5
128.03452	1.6
152.99493	51.3
153.99785	1.5
165.12723	1.6
167.14285	1.1
171.00586	5.2
171.10161	14.2
177.12782	2.0
183.13844	6.4
185.11751	2.1
195.13860	2.2
197.11743	6.3
199.13403	1.4
201.11256	1.3
209.11804	5.1
211.13335	25.6
221.11833	3.1
227.03201	3.8
227.12978	1.7
229.14352	13.9
237.30450	1.0
239.12825	2.1
245.04227	2.8
291.19644	3.5
327.21774	41.2
328.22113	3.0
389.13660	1.0
422.60776	1.0
446.15417	0.9
447.16171	2.5
463.21085	1.6
507.18350	3.6
522.25433	1.1
525.19556	1.7
555.25751	100.0
556.25995	13.6
575.88452	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	555.258
Annotation	Roridin E acetate
Peak:m/z	Relative Intensity
52.46141	1.4
57.03316	2.0
59.01238	4.4
63.28559	1.2
68.36028	1.4
69.63696	9.0
71.01269	2.3
71.04875	2.1
77.60976	1.0
78.95781	30.2
83.04916	1.7
83.71585	1.2
85.02827	8.2
96.95874	1.6
96.96837	1.8
97.06462	7.1
98.19889	2.6
105.52402	1.3
119.04928	1.6
121.02880	1.9
123.08017	1.5
125.09660	1.9
127.11165	2.7
137.09515	1.5
150.03130	4.2
151.80714	1.2
152.99484	23.9
161.05971	2.1
165.05443	5.4
171.00575	3.8
171.10187	20.8
177.12766	1.4
178.17177	1.2
183.13821	11.1
185.11742	2.2
193.12238	2.3
195.06497	3.1
197.11787	1.5
201.11275	2.4
209.11765	4.7
211.13333	24.5
221.11790	2.4
227.12740	1.9
229.14406	15.4
245.04237	2.2
291.19766	3.4
297.66696	1.3
313.07571	1.3
327.21756	77.1
328.22034	7.4
507.20258	1.6
522.83307	1.3
555.25751	100.0
556.25952	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	554.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22454	0.5
55.07896	0.7
59.01252	22.3
62.33976	0.5
69.57016	4.6
69.57346	0.7
78.95777	18.9
80.96378	0.6
114.44645	0.7
123.23186	0.6
152.99500	2.7
168.04218	2.0
187.87248	0.6
224.06897	9.3
242.07968	1.4
255.23273	100.0
256.23563	7.3
447.75717	0.6
480.30948	60.4
481.31290	6.3
488.99600	0.6
555.28229	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.302
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39050	3.3
69.39466	3.8
78.95775	7.4
81.00877	0.7
81.13622	0.8
93.80933	0.7
152.99533	1.9
168.04254	0.9
242.07938	3.2
279.23294	100.0
280.23633	7.1
293.08698	1.0
383.87640	0.8
504.30988	32.1
505.31049	3.3
506.14771	0.8
554.27527	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	18.6
68.02339	0.3
68.48965	0.3
71.01230	0.3
71.56441	0.6
74.06417	0.3
78.95771	6.0
79.95584	0.5
80.96384	2.6
94.97989	0.5
118.48763	0.3
122.97513	0.4
125.09630	0.3
148.99011	0.4
152.99493	1.3
164.98566	0.5
168.04225	1.4
197.11772	0.4
198.12024	0.4
217.00230	0.5
217.86256	0.3
224.06914	0.9
225.00732	0.8
241.10622	0.4
242.07907	2.3
255.23260	100.0
256.23611	8.6
311.22299	0.4
480.30942	26.8
481.31317	3.3
517.73529	0.4
554.26617	0.6
555.28253	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	554.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01236	1.0
71.58216	1.7
78.95782	28.2
80.96402	2.8
94.97944	1.7
107.27260	1.4
116.21250	1.2
134.47743	1.1
144.16623	1.3
152.99529	5.8
154.06331	0.9
160.89156	1.3
168.04214	4.9
224.06905	10.2
242.08032	2.0
246.70207	1.1
255.23247	2.5
266.57501	1.1
279.23294	100.0
280.23633	7.4
504.30972	67.9
505.31033	6.7
554.26801	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62182	0.8
52.93842	1.1
56.13000	1.0
57.03337	1.1
59.01252	5.1
71.01253	3.2
71.23402	0.8
72.99183	5.4
73.02798	1.6
75.00747	4.3
78.95783	2.6
79.95608	1.4
80.96387	1.0
83.01270	1.6
84.63003	0.9
85.02827	7.6
87.00753	1.5
89.02307	2.3
93.03338	1.4
94.06496	3.8
96.95885	15.2
98.20654	1.6
98.95488	1.1
101.02328	3.6
107.03667	9.7
108.02054	3.0
109.06482	2.7
111.00769	2.3
113.02316	1.1
115.91929	1.0
116.92736	5.9
119.89597	0.9
120.04455	2.7
121.05247	1.1
122.06010	57.5
123.04417	2.0
123.06372	2.0
125.02330	1.5
132.04407	5.2
133.04962	30.1
134.06050	2.3
138.05479	1.5
139.02649	4.2
147.06520	2.5
150.05476	1.7
152.01094	5.2
152.07083	100.0
153.07440	5.5
160.03969	3.2
166.04967	2.1
167.03407	7.1
168.03723	3.5
171.10240	1.0
173.00870	1.1
176.03406	1.5
190.05075	5.6
191.01903	2.8
192.06622	4.3
192.16835	0.9
198.57410	1.0
209.02869	1.3
213.10309	5.9
222.07848	2.3
225.06703	2.3
237.10274	16.7
237.12683	1.3
238.07243	1.9
239.08212	1.7
251.08347	4.6
253.09723	7.2
254.10411	2.1
263.08139	1.2
265.06195	5.9
265.09891	2.8
266.06946	12.3
266.09836	1.5
275.08231	1.0
277.06259	1.7
278.06824	4.9
279.07639	3.3
280.08548	3.7
281.09314	54.0
282.09613	4.2
293.09332	20.9
294.09741	3.0
295.10239	1.1
297.12442	1.1
313.11984	10.0
325.11868	1.6
341.11377	2.8
355.13028	6.8
356.13507	1.8
357.10733	1.2
357.14771	1.9
378.18344	3.0
378.64816	1.1
402.17950	7.4
418.17633	3.3
434.20206	1.5
446.17218	38.7
447.17831	4.9
450.21298	1.5
478.19849	58.9
479.20200	9.2
490.16162	15.1
491.16223	2.8
510.22623	12.8
511.22934	2.5
522.18805	68.7
523.19202	11.7
554.21326	14.8
555.12787	1.1
555.21167	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	553.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.1
59.00988	0.6
59.01230	3.2
61.98701	2.0
68.02424	0.7
70.42638	0.6
71.04887	2.4
71.58231	0.7
78.67558	0.6
78.95776	1.1
83.04921	0.8
97.02827	3.4
97.06487	1.2
98.28136	0.6
99.00753	13.2
109.06480	0.8
111.99723	0.6
113.09691	0.7
123.08057	0.9
125.09606	6.2
127.11176	1.2
135.08058	0.8
142.02577	1.7
155.10686	2.5
159.41110	0.7
163.11203	5.7
165.12746	2.4
171.10179	4.8
181.12270	15.3
182.12624	0.6
183.13837	0.7
185.11758	1.6
193.15891	0.9
197.11797	2.2
199.13321	7.9
201.11217	1.6
207.10204	25.3
207.12175	1.3
208.10506	1.2
209.11711	0.9
213.11235	0.7
225.11264	39.8
226.11539	2.9
243.12354	100.0
244.12680	6.5
247.20694	1.8
291.19675	11.1
292.19995	1.5
297.15262	1.5
309.20734	19.6
310.21045	1.4
327.21814	8.8
379.43216	0.7
535.32794	1.1
553.25964	0.9
553.33929	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	1.3
59.01251	4.2
59.23057	0.9
69.29209	4.4
69.29639	5.5
71.01251	2.8
73.02819	1.7
75.00771	0.9
78.95797	3.1
85.02826	9.7
87.00743	1.0
89.02324	1.3
94.06513	4.0
95.94987	1.1
96.95895	3.8
98.20702	1.4
101.02311	1.4
107.03638	9.3
111.00794	2.6
120.04464	1.2
122.06004	61.1
123.06355	2.5
124.07545	3.2
128.03448	0.9
129.01830	2.6
130.08618	1.3
134.06058	4.6
135.04482	1.4
139.02628	4.9
145.48055	1.0
147.02873	1.3
150.05550	1.0
152.07077	100.0
152.99513	1.7
153.07425	3.9
159.88586	1.1
173.00847	1.0
187.07474	1.2
190.05125	1.0
191.01869	2.7
209.03055	1.4
210.07809	1.9
213.10323	3.4
222.07858	1.6
223.08818	1.2
225.06651	2.2
225.10310	1.6
235.08627	1.4
237.06639	3.5
237.10246	9.5
238.07072	1.8
238.08888	2.1
239.08253	2.5
251.08228	6.6
252.05193	1.3
252.08975	2.6
253.09799	9.5
263.08337	2.7
264.09039	1.4
265.06183	9.7
265.09756	4.9
266.06967	20.1
267.07349	1.6
272.08887	1.5
274.76263	1.1
277.06161	1.9
278.06909	6.9
279.07745	4.2
280.08478	6.1
281.09308	84.7
282.09631	7.0
283.19287	1.3
284.07916	1.3
293.09305	46.0
294.09799	6.9
295.10651	1.2
313.11899	8.1
314.12314	1.3
325.11887	1.5
327.21564	1.3
376.93326	1.1
402.18237	3.8
416.32425	1.0
418.17670	3.8
446.17188	77.4
447.17529	13.7
478.19781	26.1
479.20142	4.5
490.16211	37.5
491.16553	5.9
522.18805	82.3
523.19196	15.0
524.20746	1.1
554.22437	2.1
555.25903	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	553.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67127	0.4
54.42465	0.4
56.23060	0.4
57.03329	1.1
59.01242	1.6
67.36639	0.5
69.03326	0.5
71.04879	1.5
73.02829	0.8
81.03335	0.7
83.04897	1.0
85.02828	0.6
93.03272	0.4
95.91820	0.4
96.95915	0.5
97.02832	3.2
97.06458	1.4
99.00759	9.0
99.01347	0.8
109.06464	1.5
113.09586	0.7
115.07552	0.6
123.08018	1.1
125.09607	5.6
127.07568	1.2
127.11135	0.5
129.09114	5.5
135.07993	0.6
135.29301	0.4
136.05107	0.5
141.09073	2.6
141.12744	0.7
141.32242	0.4
142.02644	1.2
145.08597	0.4
153.12732	0.7
155.10690	1.5
163.11197	4.6
165.12813	0.8
167.10678	0.5
171.10153	2.7
178.67270	0.4
179.10632	0.6
181.10765	0.9
181.12253	10.9
182.12636	0.7
185.11746	12.7
186.12119	0.7
187.09660	1.7
197.11784	12.4
198.12076	1.0
199.13327	6.1
201.11287	0.5
207.10199	24.1
208.10588	1.7
209.11705	2.5
211.13333	0.8
219.10106	0.5
223.13406	1.0
225.11267	39.7
226.11636	2.2
227.12788	0.9
241.10719	0.6
243.12341	100.0
244.12689	6.7
247.20724	0.7
291.19699	7.8
292.19980	0.7
297.15396	0.5
309.20694	14.6
310.21017	1.5
327.21744	35.6
328.22083	3.4
347.22449	0.9
389.23376	0.7
407.24631	0.6
409.22507	0.6
425.25375	1.3
491.33948	0.6
509.35196	1.3
517.31470	0.6
535.32684	4.7
553.33899	3.6
554.32074	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.0
59.01245	4.6
59.11032	0.3
61.98701	1.0
69.03336	0.5
69.25652	3.0
71.01254	3.4
72.99154	0.4
73.02821	0.9
75.00752	0.3
77.98598	0.3
78.95770	0.8
79.95608	0.3
80.96391	0.8
81.49969	0.2
83.01260	0.4
83.04906	0.3
84.02023	0.3
85.02822	5.5
86.03145	0.3
87.00761	0.8
89.02316	3.5
90.60394	0.2
93.03336	6.1
94.03710	0.3
96.95882	0.6
101.02316	4.2
101.05920	0.4
108.65544	0.2
108.87764	0.3
111.00745	0.8
113.02339	1.7
119.03366	1.6
128.99165	0.9
129.01852	0.6
133.02841	0.3
143.03415	0.7
152.99507	0.7
155.10687	0.4
161.04480	2.0
163.03908	0.9
167.10716	0.3
167.14301	0.6
179.05525	0.4
183.13847	7.2
184.14240	0.4
191.01921	1.3
193.12296	2.9
195.13759	0.3
205.12093	0.3
211.13341	100.0
212.13681	6.9
217.57417	0.3
223.13329	3.5
224.13699	0.3
235.08153	0.4
253.09264	13.1
254.09685	0.7
281.09286	0.3
299.16605	2.2
304.13498	0.6
317.17566	28.1
318.18018	3.5
402.38870	0.3
447.22357	9.1
448.22696	1.0
553.26514	15.3
554.26929	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	553.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00496	0.3
57.03318	2.9
58.00430	0.3
59.01254	7.6
61.98697	0.6
69.03301	0.5
69.99981	1.4
71.01248	4.3
72.99166	0.6
73.02808	1.2
78.95776	1.8
79.95586	0.5
80.96380	1.2
83.01247	0.8
83.04897	0.3
85.02830	4.5
87.00726	0.6
89.02320	4.2
92.58314	0.3
93.03339	13.1
94.03672	0.3
96.95860	0.8
98.20459	0.4
99.00741	0.6
99.04391	1.0
101.01688	0.4
101.02322	6.1
104.34808	0.3
109.02821	0.5
111.00754	0.9
111.43740	0.3
113.02316	2.2
119.03380	1.4
121.02837	0.4
125.02316	1.3
126.99450	1.4
127.99760	0.4
128.99158	8.8
129.00113	0.5
129.01820	0.5
129.99489	0.4
135.04391	0.3
143.03419	0.6
145.01315	0.4
152.07118	0.3
152.99484	1.0
159.04430	0.3
161.04463	2.1
167.10724	0.5
167.14261	0.6
171.10136	0.4
174.97108	1.1
179.05479	0.4
181.12103	0.3
183.13832	7.7
191.01863	0.7
193.12277	2.7
195.13792	0.3
209.02893	0.3
211.13335	100.0
212.13686	6.1
223.13318	4.5
224.13652	0.4
235.29034	0.3
251.16325	0.4
253.09277	13.9
254.09650	0.4
299.16599	2.0
300.16644	0.3
317.17569	36.4
318.17902	4.2
391.21216	0.9
413.06018	0.3
447.22424	6.7
448.22699	0.6
459.23047	0.3
553.26581	17.4
554.27100	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	553.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	0.3
57.03309	1.0
58.00470	0.4
59.01240	4.2
61.98689	0.4
69.03308	0.5
70.03929	1.4
71.01250	3.1
72.99189	0.3
73.02813	1.0
78.27333	0.3
78.95760	0.9
79.95606	0.5
80.96387	0.5
83.01254	0.4
83.04888	0.5
85.02825	3.8
87.00735	0.4
89.02323	3.3
93.03336	13.0
99.00735	0.4
101.02313	3.5
111.00742	0.6
113.02328	1.9
119.03395	0.7
125.02306	0.3
137.02344	0.4
147.02913	0.4
152.99454	0.9
161.04471	1.5
165.12793	0.5
167.10663	0.3
167.14317	0.8
179.05623	0.5
183.13820	8.3
184.14110	0.5
191.01912	0.9
193.12227	2.8
195.13814	0.5
205.12221	0.4
206.47424	0.3
211.13330	100.0
212.13667	6.9
223.13330	5.0
253.09258	13.0
254.09576	0.5
299.16547	2.6
317.17554	34.3
318.17844	3.3
447.22324	7.1
448.22702	1.1
509.96857	0.4
553.26520	19.6
554.27045	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00496	0.3
57.03318	2.9
58.00430	0.3
59.01254	7.6
61.98697	0.6
69.03301	0.5
69.99981	1.4
71.01248	4.3
72.99166	0.6
73.02808	1.2
78.95776	1.8
79.95586	0.5
80.96380	1.2
83.01247	0.8
83.04897	0.3
85.02830	4.5
87.00726	0.6
89.02320	4.2
92.58314	0.3
93.03339	13.1
94.03672	0.3
96.95860	0.8
98.20459	0.4
99.00741	0.6
99.04391	1.0
101.01688	0.4
101.02322	6.1
104.34808	0.3
109.02821	0.5
111.00754	0.9
111.43740	0.3
113.02316	2.2
119.03380	1.4
121.02837	0.4
125.02316	1.3
126.99450	1.4
127.99760	0.4
128.99158	8.8
129.00113	0.5
129.01820	0.5
129.99489	0.4
135.04391	0.3
143.03419	0.6
145.01315	0.4
152.07118	0.3
152.99484	1.0
159.04430	0.3
161.04463	2.1
167.10724	0.5
167.14261	0.6
171.10136	0.4
174.97108	1.1
179.05479	0.4
181.12103	0.3
183.13832	7.7
191.01863	0.7
193.12277	2.7
195.13792	0.3
209.02893	0.3
211.13335	100.0
212.13686	6.1
223.13318	4.5
224.13652	0.4
235.29034	0.3
251.16325	0.4
253.09277	13.9
254.09650	0.4
299.16599	2.0
300.16644	0.3
317.17569	36.4
318.17902	4.2
391.21216	0.9
413.06018	0.3
447.22424	6.7
448.22699	0.6
459.23047	0.3
553.26581	17.4
554.27100	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	553.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22937	1.6
57.03313	2.0
57.97421	2.7
58.00471	2.3
59.01253	22.3
59.77941	1.4
63.51591	1.6
69.37807	13.1
71.01263	21.7
72.99184	4.7
73.02817	14.7
75.00716	2.2
78.95783	13.6
81.68214	1.7
85.02829	8.5
87.00757	13.8
87.04380	2.8
89.02309	6.9
96.95925	2.0
98.00584	2.5
101.02338	18.1
103.03898	5.2
107.88058	1.8
113.02330	3.2
115.03888	4.7
119.03379	3.2
121.02811	2.6
124.00905	3.2
125.02361	2.6
128.03421	3.0
131.03398	10.5
143.03407	12.5
143.04480	2.2
152.99496	4.3
153.01807	1.7
154.40651	1.5
163.06006	8.0
165.12790	7.8
167.99992	2.0
169.00702	1.9
183.13849	12.0
205.07137	12.9
209.11725	2.6
227.12823	26.6
245.13951	5.0
257.24164	1.9
386.29758	1.7
391.13776	2.1
511.84192	1.6
553.25073	100.0
554.25525	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	553.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00455	8.0
59.01258	100.0
61.98723	5.6
70.46979	13.4
71.01259	50.2
72.99178	6.1
73.34857	5.0
75.93800	4.6
78.95771	58.4
82.89314	4.9
83.01221	5.0
83.04919	7.1
85.02833	16.8
87.00735	5.7
89.02324	72.0
96.95885	10.4
96.96861	8.8
101.02342	38.4
104.55701	4.8
111.00817	5.1
113.02330	19.1
119.03411	15.8
121.02844	5.7
123.08046	7.2
135.04414	7.7
135.08076	6.4
146.76994	5.0
152.99519	37.7
161.04402	8.0
163.03886	5.5
171.00594	6.8
171.10249	14.2
190.09908	12.5
203.07054	5.2
209.11859	9.6
211.13205	7.3
226.06236	4.9
251.70586	6.2
259.09821	5.5
289.18039	11.3
307.19016	8.8
325.20206	15.0
373.18698	90.4
381.17468	39.4
471.15530	14.9
488.25934	5.7
510.21667	37.3
553.23871	53.3
553.31696	7.9
554.23334	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	553.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01155	0.3
52.94067	0.3
54.94549	0.3
55.04776	0.4
59.01247	1.3
61.98701	0.5
64.64052	0.3
71.01245	1.1
72.99184	0.8
73.02816	1.6
73.71204	0.3
74.53054	0.4
78.95769	0.7
80.96363	0.3
85.02833	1.4
89.02302	0.5
93.02763	0.6
93.03330	5.1
101.02325	2.7
119.04855	0.4
133.02843	0.8
134.03650	0.4
135.04436	1.8
137.02339	0.7
145.01332	1.0
147.04396	0.6
152.07161	0.5
152.99490	0.4
161.64249	0.4
163.00299	1.2
169.06483	0.8
171.04417	1.3
174.03108	0.5
175.00317	0.5
177.01796	0.5
183.04440	1.8
185.06078	0.4
189.05333	0.4
195.04407	0.5
197.06036	0.7
208.69145	0.4
211.03937	1.2
211.13235	0.5
213.05498	1.0
215.69839	0.4
225.05560	0.9
226.02657	0.7
227.03468	2.4
228.04132	1.1
239.03455	5.1
239.13881	0.4
240.04190	0.7
241.05061	3.5
255.02930	1.6
257.04575	1.9
259.06113	0.4
267.02985	2.7
268.03754	2.1
269.04568	2.8
285.03943	0.6
289.08643	0.8
296.03329	1.7
297.04013	3.5
301.03299	0.5
317.08200	1.0
333.07672	71.9
334.08005	8.3
345.07520	0.4
361.07162	73.4
362.07715	16.8
363.08334	1.0
390.07425	45.6
391.08136	25.0
392.08633	2.8
394.10431	0.5
433.09399	0.7
459.09299	1.9
553.13501	100.0
554.13837	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	552.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63871	0.7
59.01253	24.3
59.31493	0.7
61.98684	0.7
70.08948	4.1
78.95776	21.3
96.53565	0.7
96.96822	0.8
152.99512	4.4
168.04253	3.5
189.40652	0.8
200.44188	0.7
204.54378	0.8
207.71109	0.8
224.06851	8.5
235.20604	1.0
242.07907	2.5
253.21703	100.0
254.22026	5.4
289.41656	0.8
292.05469	0.8
457.32330	0.9
478.29358	52.6
479.29636	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	553.1351
Annotation	cudranian 1
Peak:m/z	Relative Intensity
53.21643	0.2
59.01260	0.3
59.78152	0.2
59.88822	0.2
61.98692	0.3
63.02254	0.4
69.62176	0.2
73.02811	0.6
83.01256	0.4
85.02814	0.5
88.05914	0.2
93.03337	2.5
101.02323	0.4
103.66680	0.2
117.03377	0.3
119.01311	0.3
123.04395	0.2
132.01949	0.3
133.02898	0.3
135.00713	0.3
135.16663	0.2
137.02295	0.4
143.04898	0.4
145.02890	0.4
159.80745	0.3
161.21246	0.2
163.00269	1.4
169.06441	0.4
171.04420	0.8
176.01001	0.4
177.01691	0.3
181.06567	0.2
183.04391	1.4
187.03998	0.3
195.04405	0.8
196.05130	0.4
197.06026	0.8
199.03928	1.8
200.04726	0.2
201.05475	0.3
210.03194	0.3
211.03981	1.2
213.05475	1.9
224.04738	0.5
225.05611	1.1
226.02686	0.5
227.03433	17.7
228.03831	1.0
235.47809	0.2
239.03453	5.2
240.04166	1.6
241.05006	2.5
253.05081	0.8
255.02969	3.8
256.03403	0.4
257.04483	1.6
259.06149	0.4
267.02954	2.7
268.03772	0.5
269.04544	3.6
270.04810	0.3
285.04245	0.4
289.08719	1.1
295.02512	0.8
296.03171	2.0
297.04007	7.9
298.04333	0.7
305.08054	0.3
305.75165	0.2
306.08850	0.3
313.03699	0.4
317.08109	1.6
333.07657	82.4
334.04019	0.5
334.08032	9.7
345.07736	1.2
346.07956	0.3
346.12213	0.2
361.07144	24.5
362.07764	7.7
363.08270	0.9
389.06628	0.6
390.07416	40.8
391.08054	13.9
392.08444	1.0
392.13297	0.3
394.06961	0.5
459.09283	3.6
460.09790	0.3
553.13495	100.0
554.13806	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	552.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88035	0.5
59.01253	22.0
69.38364	5.5
71.01257	1.0
78.95779	19.4
78.98460	1.0
79.95618	1.8
80.96394	10.6
87.44164	0.6
94.97964	2.6
96.95896	5.0
96.96833	1.4
106.97915	0.6
118.90392	0.7
122.97478	0.7
125.02306	0.7
134.97479	1.1
148.99020	1.3
152.98427	1.0
152.99496	5.2
164.98518	2.5
168.04198	2.6
179.89117	0.6
224.06886	8.1
225.00645	3.1
228.82822	0.8
242.07953	1.7
253.21712	100.0
254.22060	8.2
277.21738	1.5
478.29419	58.4
479.29697	6.2
489.05695	0.7
502.29172	0.7
553.26880	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	552.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53819	1.0
51.74287	1.0
59.01254	67.0
60.01591	2.7
61.98706	7.0
71.01263	2.1
71.57725	1.8
78.95778	37.5
80.96393	6.5
85.02832	1.5
93.88005	1.2
94.97948	1.6
96.95944	1.2
96.96808	2.7
121.02853	1.5
125.09629	1.1
152.99498	17.5
153.99840	2.3
154.94647	1.1
154.99887	2.3
156.18036	1.1
160.85127	1.2
164.98555	1.5
168.04260	2.7
171.00552	1.9
171.10152	1.2
223.16971	15.7
224.06839	2.5
227.12852	1.4
229.14355	2.5
230.94588	1.1
235.17023	33.2
236.17389	2.2
242.07880	4.0
253.18079	100.0
254.18513	7.1
257.24341	1.2
327.21741	3.4
434.29837	2.8
465.22086	3.1
474.33289	2.3
478.25742	52.2
479.26065	6.9
492.33969	2.9
552.29468	4.7
553.23138	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	552.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36450	0.5
69.78519	4.2
73.85259	0.6
78.95773	6.7
102.92352	0.6
126.19311	0.6
129.10815	0.6
130.17818	0.6
152.99422	1.5
168.04208	1.1
197.97581	0.7
224.06973	1.1
242.07980	2.5
277.21722	100.0
278.22076	7.7
393.81192	0.8
396.88461	0.7
502.29404	30.5
503.29663	3.1
547.00134	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45298	0.9
59.01250	10.5
69.29079	10.0
78.95309	1.9
78.95774	33.3
80.40841	0.8
87.67391	0.8
88.24442	0.8
89.41225	0.9
98.19749	1.4
110.73699	0.9
111.81473	0.9
118.09619	1.0
152.99507	4.5
168.04221	5.6
182.37210	1.0
224.06868	11.5
242.07951	4.0
253.21712	56.7
254.22115	3.0
277.21713	100.0
278.15549	1.1
278.22180	7.0
319.56647	1.1
478.29434	12.9
479.29651	1.5
502.29404	66.1
503.29742	8.6
547.16321	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40614	1.1
57.51997	1.0
61.08969	0.9
61.98699	2.8
62.96275	1.7
70.84489	2.0
70.84852	2.3
78.95776	100.0
88.08039	0.9
91.22050	0.9
96.95906	2.5
96.96843	5.2
98.95480	2.3
99.92463	15.7
100.93254	1.3
114.94807	9.7
115.91955	17.0
116.92001	1.2
116.92741	5.6
137.99519	1.3
141.95923	14.0
149.72983	1.1
150.97931	1.9
152.99493	53.2
153.99867	1.1
163.89728	1.7
178.88420	1.1
179.89160	19.7
180.89957	9.3
181.90735	6.4
192.00575	2.1
194.02104	2.5
196.89427	44.7
196.91243	2.4
197.89450	2.2
204.92326	1.6
205.90817	1.5
205.93135	5.0
222.93355	4.1
223.94072	1.6
235.91855	5.2
236.92543	3.1
255.23270	21.0
256.23663	2.0
277.95334	2.0
365.19632	1.0
379.09802	1.1
409.23605	10.2
411.18488	3.1
444.93948	1.1
450.25906	2.5
475.15601	5.9
491.15176	1.3
492.15848	7.9
509.16107	1.7
516.18231	15.1
517.18524	3.2
534.19330	7.2
535.18744	1.4
552.20367	37.4
553.20764	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	551.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57058	1.2
53.30378	1.4
54.11425	1.2
58.27837	1.3
59.01258	38.3
59.89095	1.1
61.98701	5.5
67.11067	1.4
68.16096	1.4
71.57594	2.1
78.95774	11.8
96.96822	1.8
103.98448	1.2
107.04903	4.3
122.03178	1.3
138.83562	1.3
147.04427	11.7
152.99510	8.8
161.05969	2.2
171.10175	1.6
174.06606	1.6
193.12239	1.3
249.92992	1.5
261.36240	1.3
269.15488	12.3
287.16541	100.0
288.17010	7.5
301.14395	2.4
305.17578	1.7
335.18417	4.1
373.38879	1.7
455.91797	1.3
491.33969	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	551.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01558	0.9
60.34524	0.8
61.98698	3.2
71.01286	1.0
71.57789	1.5
73.02827	1.8
78.95779	45.3
80.96394	1.4
96.95942	1.2
96.96851	4.7
102.75661	0.7
121.02785	0.9
123.08060	0.7
135.04393	1.4
135.08078	1.1
152.99496	40.9
153.99843	4.8
154.99919	0.9
171.00587	1.6
172.20757	0.9
182.08275	0.8
195.20801	0.8
195.42606	0.7
195.93185	0.9
217.93095	0.9
221.11800	3.3
235.16939	1.0
239.02235	0.7
244.14630	2.4
251.16519	1.0
252.16797	0.8
253.18031	2.9
261.14938	0.8
303.16058	1.2
309.20612	0.9
310.21213	1.3
347.14960	1.1
353.61255	0.9
379.73111	0.8
433.29050	1.2
440.28937	0.9
455.31781	3.5
456.01135	0.8
463.21033	2.3
464.21417	13.7
465.22256	2.8
473.32626	11.1
474.33206	1.4
478.25671	3.1
491.33832	24.6
492.33902	2.8
551.21906	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	551.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25285	0.3
55.01744	0.4
59.01249	15.8
60.09198	0.3
70.02473	0.5
70.02759	1.6
71.01254	3.7
73.02805	0.7
78.95753	0.7
83.01254	0.4
85.02809	0.8
86.23901	0.3
89.02304	3.5
95.01304	0.3
99.00732	0.3
101.02334	3.1
108.57350	0.3
113.02311	1.3
119.03371	0.8
133.04921	0.4
143.03433	0.4
161.04451	1.1
179.05396	0.5
235.08211	2.7
253.09251	16.8
254.09590	1.0
255.23256	100.0
256.23581	10.1
302.36664	0.4
440.82288	0.3
465.69733	0.3
491.32755	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90491	0.8
56.67148	0.8
59.00955	1.1
59.01252	17.1
66.69595	0.8
71.01252	2.9
71.13613	1.4
74.75297	0.9
76.02780	0.8
78.95777	3.9
89.02325	1.8
93.78966	1.1
101.02316	3.3
113.02332	1.2
119.03407	1.0
123.89594	1.0
130.57887	0.8
149.53107	0.9
152.99492	1.6
204.68758	0.9
235.08202	1.8
253.09244	12.3
255.23273	100.0
256.23618	7.9
269.74506	0.9
400.84381	1.1
483.27390	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	0.7
59.01233	1.0
67.02876	1.0
68.02441	0.7
69.03335	3.7
71.01240	1.2
71.04900	2.9
73.02847	0.6
78.95774	1.1
81.36533	0.6
84.29491	0.5
97.02857	0.7
97.06468	1.3
99.00722	0.6
103.13821	0.6
109.23636	0.6
123.08042	1.4
125.09599	2.9
137.09602	0.8
141.09204	0.6
151.11183	2.3
151.45142	0.6
152.43619	0.7
153.12740	1.8
154.23740	0.5
155.10736	0.8
161.09589	2.6
165.12805	0.9
171.10126	1.0
179.10686	7.3
185.11707	1.3
197.11761	60.8
198.12164	4.3
209.11717	0.9
223.09668	1.6
225.11241	0.9
237.22527	0.6
241.10780	100.0
242.11063	5.6
260.24149	0.7
291.19714	4.1
309.20715	4.0
317.63925	0.7
327.21790	2.0
402.21805	0.6
437.73819	0.7
533.30652	1.7
551.32233	16.2
552.32397	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.6
59.01252	26.0
61.98684	2.2
67.73546	0.6
70.18594	0.7
71.01253	1.5
73.02824	1.1
75.00754	1.2
78.95779	16.7
96.95912	0.9
96.96836	2.4
99.04412	7.2
101.02353	1.8
101.73101	0.6
107.04936	1.6
107.83373	0.6
111.04394	0.7
115.63578	0.6
121.02845	1.4
121.06452	1.4
125.09595	0.8
127.13398	0.7
131.08553	2.4
135.04417	64.6
135.08017	1.4
136.05281	1.6
147.04417	3.2
148.04871	0.7
151.07529	1.0
152.99490	19.9
153.35553	0.7
153.99821	1.9
157.06525	0.9
159.04384	1.2
160.05183	1.7
161.06091	0.6
171.00502	1.2
171.10147	1.0
174.06795	5.9
175.07582	7.3
176.08356	13.2
188.08339	0.8
189.09119	6.8
191.10701	1.5
203.07111	1.1
209.11754	2.0
226.06236	2.8
229.12151	0.9
238.06287	1.1
243.06537	1.3
244.14651	100.0
245.04288	0.8
245.14977	8.7
259.17014	22.3
260.17386	1.7
270.12558	2.0
288.13553	1.9
293.17258	1.0
303.16010	81.9
304.16388	5.6
305.17581	1.0
308.12555	0.9
333.30460	0.8
341.53220	0.8
345.17053	3.5
347.11136	0.8
347.14969	3.6
357.21368	0.7
359.12891	8.4
371.12869	2.4
447.19983	1.5
463.21164	1.2
464.21463	3.7
465.21320	3.0
473.32736	1.1
489.17523	0.8
489.28363	0.7
491.33832	2.6
507.22366	24.9
508.22574	3.8
551.21655	6.4
551.29938	1.0
552.21832	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71684	0.8
58.01237	0.8
59.68884	0.7
64.26056	0.9
71.05463	2.0
71.05814	1.0
72.99182	10.7
75.00748	9.2
88.03900	3.0
88.98679	1.1
96.95892	2.6
98.95489	1.9
121.57383	0.8
133.04956	100.0
134.03629	5.1
134.05296	3.7
136.27899	0.8
137.02350	1.1
149.02332	1.4
149.05983	2.3
150.03134	3.2
161.78198	0.8
165.04214	0.8
165.05421	4.6
178.02625	2.4
193.04987	14.4
195.06509	4.6
209.11737	3.2
236.79237	0.8
296.12805	0.8
341.10300	2.8
389.12512	2.0
417.13870	6.1
517.74835	0.9
572.65863	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52084	1.2
57.03296	1.7
59.01253	16.5
60.32700	1.3
71.01240	6.3
71.57287	2.3
72.99173	2.7
75.00727	2.4
78.95763	3.0
85.02821	12.5
87.00762	2.3
89.02318	3.7
94.06496	21.2
96.95879	5.6
99.00726	1.6
101.02311	5.1
104.04952	3.9
106.06488	7.8
107.04867	1.6
108.04440	8.1
111.00713	2.3
113.02321	4.4
113.34082	1.6
119.04964	2.5
120.01099	1.6
121.02837	1.8
122.05988	3.1
124.07576	25.2
129.01871	2.6
132.04448	51.7
133.04962	10.2
134.03638	2.1
134.06041	1.5
135.04384	4.5
138.05524	1.4
145.05313	1.6
148.03929	3.8
149.02365	2.4
150.05548	1.8
152.07141	2.5
160.03946	3.2
162.56169	1.3
163.03983	2.6
168.06580	46.1
175.03955	1.8
176.03438	8.2
177.04108	1.9
180.06610	6.8
182.08156	5.5
188.03496	3.7
189.04216	6.2
190.04953	14.4
191.01924	3.4
193.05052	2.0
208.03850	1.9
208.06038	2.9
209.02907	7.7
209.11839	1.4
210.09166	2.2
223.06102	4.0
237.10303	18.6
239.11868	4.9
251.11906	5.3
254.08266	2.2
265.09955	2.2
267.11517	6.6
269.12921	24.6
270.13101	1.6
281.09256	5.8
283.10611	3.5
289.11896	8.6
295.10898	6.8
311.10355	23.6
313.11932	38.4
314.12213	4.2
331.12979	3.5
339.09863	13.6
355.09476	3.4
355.12997	5.8
357.10898	50.8
358.11215	3.1
359.14948	5.2
371.12408	13.5
389.13452	28.6
390.13797	4.1
399.12073	5.1
435.06796	1.7
451.17548	2.1
475.17294	18.2
476.17371	2.3
519.16205	100.0
520.16510	15.1
533.17786	7.7
551.18268	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	551.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95218	1.3
53.62223	1.5
57.03330	7.3
59.01249	6.5
63.27700	1.3
66.62540	1.8
71.01263	5.3
71.55852	1.2
71.56248	2.1
72.99156	1.7
73.02821	1.4
78.95784	4.4
83.01281	1.8
84.02043	1.9
85.02823	22.4
85.48920	1.2
87.00745	7.8
89.02317	2.1
96.96849	3.6
110.98356	1.6
124.27946	1.4
129.01848	13.3
133.04964	4.8
159.02983	2.5
208.06091	3.1
209.06613	100.0
210.06894	2.2
225.05008	1.2
231.38890	1.3
306.07660	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67086	0.6
59.01242	0.9
69.85572	3.8
85.02811	1.5
87.00761	1.0
93.03331	1.9
96.95889	1.6
98.19910	1.1
100.35119	0.8
106.23624	0.7
111.00745	0.9
121.02843	12.8
122.03648	4.4
127.43736	0.7
132.02055	0.9
133.02803	1.9
134.03627	54.2
135.03996	1.1
135.04344	1.0
137.02341	7.5
139.03883	2.3
147.04381	1.2
149.02338	17.5
149.05980	14.6
150.03119	37.0
151.03694	1.2
151.86012	0.7
155.87303	0.7
164.04799	3.4
165.05481	36.0
166.05792	1.8
178.02623	30.1
179.03084	1.0
180.04161	2.1
191.01950	0.8
193.04985	100.0
194.05318	5.1
195.06544	28.4
196.06963	1.1
214.51707	0.7
221.06088	1.0
235.06029	1.2
239.07126	1.6
250.06279	2.0
251.06860	0.9
265.08624	0.8
267.06546	1.8
282.09006	7.1
341.10257	33.7
342.10574	3.2
366.77240	0.7
389.12430	25.0
390.12939	1.8
391.05060	0.7
488.68716	0.8
551.17413	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	551.141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.6
61.98709	0.8
63.17080	0.4
66.70970	0.5
69.43307	0.4
69.43620	4.1
71.01250	3.9
72.99187	1.8
73.02836	0.4
75.00748	0.9
76.34258	0.5
78.95786	1.4
85.02831	2.7
87.00773	1.3
89.02338	1.6
93.03348	0.7
95.01260	1.2
99.00763	0.7
99.05490	0.7
101.02325	1.3
103.09767	0.4
108.02059	50.5
109.02882	7.6
113.02335	1.7
119.04902	0.5
121.02850	26.0
122.03144	0.8
123.00792	0.6
123.04408	0.6
125.02312	1.0
128.03470	1.2
135.04399	0.8
137.02379	0.7
143.04533	1.4
147.04472	0.4
147.42459	0.5
149.04485	0.5
151.03909	1.0
152.01064	100.0
152.99486	1.2
153.01782	4.4
163.03929	3.8
177.01881	1.0
179.03421	0.9
207.02875	1.0
272.08966	0.9
274.78882	0.5
293.08780	1.2
297.06232	1.4
306.07709	1.1
307.08121	0.9
315.07190	1.3
350.70932	0.5
429.10376	38.5
430.10770	3.2
445.83151	0.5
491.21262	1.0
507.99249	0.5
551.14063	68.1
552.14435	7.9
552.22101	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12996	0.2
57.03314	0.4
59.01247	1.2
68.99680	0.5
69.68600	1.6
71.01255	2.3
72.99178	13.5
73.02818	0.9
75.00745	64.3
76.01095	0.5
83.01268	0.8
85.02811	1.7
85.03268	0.3
87.00743	0.6
89.02328	0.4
93.03336	9.3
95.01308	0.6
96.99175	0.6
98.20522	0.3
99.00745	0.3
101.02319	1.9
107.01276	0.3
107.04903	0.2
108.02070	1.4
109.02881	0.3
111.00771	0.3
113.02330	1.2
115.03918	1.6
121.02843	0.7
123.00762	0.6
123.04408	4.6
125.02345	0.5
133.04959	100.0
134.05296	2.7
136.01549	0.7
137.02341	11.9
138.03020	0.3
151.00301	1.4
151.03937	0.3
152.01073	1.8
153.01862	0.9
153.05493	4.2
159.79665	0.3
167.03413	4.6
191.01877	0.3
191.03450	0.3
198.70491	0.3
209.02844	0.3
221.04526	0.4
281.06665	12.2
282.07074	1.0
296.05432	0.7
311.07712	6.2
312.08206	0.5
435.12976	6.3
436.13199	0.7
473.44873	0.3
493.13513	18.2
494.13824	3.0
551.17792	4.0
552.18530	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	27.0
61.98726	1.1
67.10312	1.0
69.84897	6.0
76.35042	1.0
78.95776	27.4
80.96394	2.2
96.95879	1.1
97.93048	0.8
110.98450	2.0
114.36361	0.9
152.99480	8.2
168.04211	3.0
179.10641	1.0
181.12228	3.3
182.12582	2.2
185.02113	1.2
199.13327	13.5
200.13713	9.3
217.00082	1.3
224.06902	8.7
225.00822	1.1
235.25874	0.9
242.07922	2.7
251.20137	100.0
252.20503	7.7
299.16797	0.9
309.10205	1.2
364.25702	1.4
368.15692	1.4
409.18994	1.4
453.65747	1.0
476.27811	54.4
477.28207	5.3
550.28479	5.1
551.24786	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	550.315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03687	0.6
51.46637	0.6
59.01253	17.2
65.83935	0.4
69.55125	4.2
78.95781	8.4
83.04893	0.6
98.19791	0.7
110.57014	0.5
131.64270	0.5
152.99490	3.8
168.04195	1.4
173.27029	0.6
224.06842	1.1
242.07892	3.1
251.20145	100.0
252.20497	6.2
275.19989	0.9
464.69055	0.6
476.27850	20.0
477.28244	1.8
517.33307	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	9.2
60.84764	1.4
60.95378	1.3
61.98683	3.4
64.04359	1.4
69.51161	11.9
71.01250	5.5
72.04427	2.4
72.99187	7.5
78.95778	14.7
86.02371	2.6
89.02318	4.6
96.95893	13.9
98.02353	6.3
99.00761	10.2
101.02315	12.6
113.02345	1.4
116.89077	1.2
138.42036	1.1
152.99480	8.5
159.76387	1.2
179.89127	2.6
196.89508	2.0
225.22163	19.6
251.62938	1.2
253.21805	3.8
312.25427	18.2
313.25833	2.1
324.25659	2.4
326.27087	3.9
370.25955	11.6
514.14734	1.7
550.32343	100.0
551.32959	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	550.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.3
59.01255	72.6
60.01593	2.3
61.98717	6.3
62.84258	1.0
69.03330	2.8
78.95781	75.8
80.96415	1.4
83.04904	1.3
84.11041	1.1
92.47521	1.0
96.96854	4.0
103.37883	1.1
119.39380	1.2
121.06487	1.4
122.98466	1.0
135.01886	1.1
150.97961	1.4
152.99501	43.3
153.99902	1.5
168.04268	5.7
171.00578	1.9
184.03709	1.7
189.16423	2.6
195.13840	7.4
207.13882	3.8
207.17566	4.5
221.15468	4.3
223.17003	21.9
224.06860	12.1
232.62895	1.1
233.15442	16.9
240.06413	1.9
242.08066	1.9
249.14993	1.9
250.15338	3.0
251.16527	83.4
252.16846	4.6
265.92773	1.1
291.19675	2.3
309.20682	13.3
414.27350	1.4
428.29700	1.2
463.20932	9.1
465.21725	1.2
472.31668	4.1
473.33264	1.4
476.24188	100.0
477.24350	8.6
490.32861	6.4
491.33557	1.9
550.20038	1.9
550.27997	25.7
551.28137	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	550.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39730	0.7
57.03330	0.9
59.01255	36.5
61.98702	1.6
69.03323	1.6
71.01248	1.1
71.58385	1.1
78.95785	32.2
81.03362	1.0
82.55662	0.7
83.04885	0.9
93.03354	0.8
96.96840	1.7
97.06489	0.7
122.98425	1.6
152.99504	26.6
153.00755	1.3
153.99940	0.8
165.99341	0.9
168.04247	2.4
171.00601	1.5
171.10107	1.1
184.03786	0.9
189.16420	2.7
195.13885	6.6
204.31625	0.7
207.13881	1.3
207.17487	3.6
221.15474	4.0
223.16988	15.6
224.06982	1.6
224.17302	1.8
233.15421	16.6
234.15860	1.0
240.06439	1.0
242.07990	3.3
251.16513	100.0
252.16928	7.9
253.08722	1.9
258.07462	1.5
289.17831	1.2
290.18628	1.5
291.19638	2.1
293.17609	1.4
309.20731	24.7
310.21075	3.0
313.87030	0.8
405.16864	1.5
463.21057	6.8
464.21472	1.6
473.32831	1.3
476.24194	55.5
477.24539	7.9
490.32840	1.5
491.34238	0.9
524.17468	0.8
550.27991	17.7
551.21509	3.5
551.29480	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	550.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43621	0.3
57.58416	0.3
59.01254	3.9
61.98692	0.7
64.60031	0.3
69.03393	0.4
69.50893	2.4
69.59080	0.3
69.61301	0.4
71.01250	0.7
71.04896	0.9
73.28614	0.3
75.00764	1.2
78.95781	56.4
81.03308	0.4
82.12931	0.3
83.04887	0.7
85.02827	0.4
95.04942	0.7
96.95902	0.5
96.96849	6.0
97.06456	0.5
98.20507	0.8
109.06483	1.2
117.07814	0.4
121.02836	0.7
130.78464	0.3
138.09064	0.3
150.97932	1.5
152.99498	100.0
153.99855	1.3
163.11130	0.4
168.04221	0.5
171.00580	4.5
171.10162	1.7
186.82890	0.4
197.11781	1.2
207.53351	0.4
209.11806	1.5
211.13348	0.9
224.06949	0.5
233.23993	0.4
237.14801	0.5
242.07918	0.4
242.11554	0.3
246.71826	0.4
249.15004	0.4
251.16357	0.5
275.11920	0.7
307.19089	0.7
325.20248	4.3
463.21051	28.2
464.21375	3.1
550.24786	4.6
551.22357	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	550.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35561	1.4
58.02855	9.1
58.31940	1.5
59.01252	12.2
70.02845	1.7
71.37245	2.2
71.37582	1.6
72.00785	1.7
73.55738	1.4
74.02348	18.9
76.82924	1.4
78.95805	1.7
82.02868	2.4
86.02359	8.4
86.06043	1.8
87.05508	3.9
90.00059	2.4
97.03969	2.9
99.05515	17.4
99.14841	1.4
101.07071	2.1
102.05492	2.6
104.50618	1.7
109.03970	3.8
111.05502	1.9
123.05538	2.0
127.05040	1.7
128.03436	46.8
128.07994	1.5
135.05533	4.8
141.06578	4.5
143.04532	67.2
145.06102	2.3
146.04521	6.9
153.06621	4.3
159.92690	1.5
160.00661	16.6
166.09790	3.9
167.04570	5.4
167.08235	3.0
177.03288	3.9
179.04549	13.5
181.06091	2.9
183.31625	1.6
192.07684	2.0
197.05840	2.7
199.55907	1.6
210.08783	14.2
236.06577	1.7
254.07834	19.9
272.08896	32.1
288.06598	6.8
297.11258	3.7
298.11761	2.8
301.53159	1.5
306.07663	100.0
307.07971	5.3
309.11362	2.5
310.11761	1.8
332.09222	3.2
550.20685	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	549.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.2
55.92792	0.2
57.03320	2.1
58.00463	0.3
59.01249	100.0
60.01596	1.0
60.63413	0.3
61.98714	0.3
66.15353	0.3
66.75025	0.3
70.04987	0.2
71.01253	16.0
72.01586	0.3
72.99202	0.9
73.02814	4.8
75.00745	10.5
77.94018	0.2
78.95779	1.0
83.01258	2.6
85.02822	10.5
85.99953	0.3
87.00731	1.4
89.02316	4.1
90.02600	0.3
95.01265	2.3
97.02856	0.5
99.00759	2.4
101.02321	9.0
105.01846	0.3
108.08082	0.6
111.00761	0.8
112.01556	0.4
113.02327	10.1
114.02665	0.5
117.01886	0.3
119.03391	1.4
121.31435	0.3
124.01579	0.3
125.02351	1.2
129.01840	0.4
134.62691	0.2
143.03426	1.7
152.07089	0.7
152.99547	0.7
158.66214	0.3
159.02913	0.6
161.04459	4.2
171.10220	1.0
173.00803	0.3
190.05063	0.7
191.01823	0.4
194.91687	0.4
197.15373	0.3
209.02956	0.3
210.34201	0.3
223.20508	0.4
240.37440	0.3
251.50194	0.3
263.66559	0.3
299.25974	1.1
311.10522	0.4
336.13181	0.3
344.05426	0.3
345.06165	0.8
345.19345	0.5
345.30084	4.4
346.30502	0.3
355.13016	0.5
362.13541	0.3
387.15512	0.8
407.60477	0.3
489.34286	36.3
490.34656	5.4
507.24176	0.9
507.27628	0.6
507.35339	19.1
508.24310	0.3
508.35580	3.5
549.29114	3.2
549.36475	0.8
550.29218	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.8
59.01253	100.0
60.01589	1.2
61.98711	1.1
69.03313	0.8
71.01268	1.0
71.57852	0.5
73.02797	0.6
75.00761	0.7
76.93695	0.5
78.95778	29.9
83.04914	0.6
83.68490	0.6
96.95913	1.1
96.96841	4.0
101.05974	1.3
109.06499	0.7
116.04940	0.5
121.02855	1.0
132.53760	0.5
135.04485	0.6
147.04474	2.4
150.97903	0.7
151.07613	0.6
152.99501	47.2
171.00603	1.6
171.10291	0.8
193.12274	0.6
207.13983	0.5
221.11797	1.2
221.15544	0.6
233.15538	1.7
242.08051	0.6
243.14061	0.9
245.54883	0.6
251.16475	5.4
259.13403	1.2
261.15106	0.6
273.14908	0.6
285.15018	4.1
299.16595	1.1
301.17581	0.5
308.19336	0.6
317.17517	0.6
329.21259	0.9
395.25879	6.8
397.24017	0.6
409.27634	1.4
413.26999	6.5
414.27020	0.8
427.28818	0.9
431.27924	2.5
453.30884	0.5
463.21057	15.8
471.31180	4.8
472.31189	0.8
476.24307	3.6
487.31168	0.8
489.32257	23.8
490.32791	3.4
505.27444	0.5
531.17773	0.6
550.25012	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32225	1.1
53.43071	0.8
57.03318	1.6
59.01253	100.0
60.01583	2.7
68.87187	0.9
69.03328	5.1
70.03680	0.9
71.01276	1.5
71.57354	1.7
71.69128	0.8
72.78873	0.8
73.02834	1.9
78.95776	25.0
79.95597	2.6
80.96393	8.1
93.03339	1.4
94.97972	1.9
95.04948	1.1
96.96835	2.0
101.02313	1.1
111.08045	2.3
121.02855	1.3
122.97422	1.0
122.98384	1.4
124.99707	0.9
131.30362	0.8
149.05989	1.4
152.98344	1.5
152.99506	20.4
164.08328	1.0
164.98549	1.0
168.04323	1.4
171.00552	1.3
178.06276	3.0
184.76794	0.9
205.15990	1.1
206.09419	1.7
221.15404	2.0
222.15671	1.1
224.06816	1.9
225.00673	1.7
231.13843	2.8
232.14169	3.1
233.15530	1.5
234.15692	1.4
242.07918	1.8
249.14966	12.7
250.15286	17.6
251.16545	4.2
258.16257	3.7
261.15060	1.0
266.18137	1.2
267.97693	0.9
273.18649	1.4
289.18149	2.3
301.18039	3.8
309.20871	1.7
319.19083	1.6
323.22391	1.1
324.22519	2.2
325.31561	1.0
329.17667	3.1
343.18964	3.1
349.20047	1.1
361.20288	5.0
366.20825	1.0
395.25949	6.6
413.26993	9.1
431.28119	3.0
463.20831	4.4
471.31104	7.0
472.31879	1.4
474.22568	2.1
475.22870	17.1
476.24039	5.4
489.32260	26.0
490.32681	2.4
549.19989	11.3
549.28217	1.5
550.27893	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	14.5
64.26373	1.1
65.06505	1.6
71.01244	2.6
71.57791	1.9
76.38805	1.3
78.04616	1.2
78.95768	2.6
89.02318	2.5
91.78743	1.3
96.95876	2.1
101.02345	2.3
119.03378	1.4
125.71538	1.4
152.99469	3.6
172.19847	1.2
253.09285	10.8
253.21719	100.0
254.22073	6.8
292.62799	1.3
293.49802	1.5
301.49179	1.3
358.58325	1.4
516.94714	1.4
562.59442	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	549.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.5
63.56845	0.1
65.33539	0.1
71.01244	0.2
78.95773	0.8
79.95607	2.1
82.32480	0.1
83.02386	0.1
85.02822	0.4
88.50160	0.1
89.02333	0.1
95.04237	0.1
96.95888	100.0
97.95818	0.4
97.96339	0.1
98.02354	1.0
98.03469	0.1
98.95482	0.1
101.02290	0.1
119.04957	0.1
159.15715	0.1
161.06039	0.1
225.14958	0.1
297.11304	0.2
309.11395	0.2
347.83734	0.1
490.34067	0.4
549.24011	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	549.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76437	0.8
55.31501	0.5
59.01252	2.9
61.12901	0.6
69.39391	3.7
69.39820	2.0
78.95776	12.0
79.49809	0.7
84.87199	0.6
88.01790	0.6
97.06451	0.8
98.20512	1.0
110.98414	10.6
149.66469	0.7
153.12769	6.0
163.11176	1.1
165.12732	4.3
167.01057	4.4
170.05775	1.3
179.10742	3.5
181.12254	20.2
182.12560	1.1
185.02054	4.4
192.11562	0.7
197.11780	2.5
199.13330	100.0
200.13705	6.3
215.12814	5.8
217.00261	0.9
251.20125	2.7
258.47852	0.8
363.25397	6.7
367.15225	23.0
368.15399	2.5
381.26447	4.9
382.26703	0.7
476.27872	1.9
549.28296	38.0
550.28528	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	549.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	2.4
61.46718	0.7
69.92455	0.5
69.92758	3.5
78.95775	13.8
79.81470	0.6
80.96369	2.1
84.84412	0.7
87.97777	0.6
110.98411	10.9
126.99427	0.8
132.91049	0.6
138.06807	0.7
149.06001	1.1
151.07520	1.3
152.99509	3.1
164.98552	0.7
167.01007	4.7
167.55901	0.7
170.05782	4.7
181.12196	1.9
185.02150	7.1
192.11485	0.9
199.13339	10.8
200.13829	0.7
226.89851	0.7
233.19070	1.9
235.20575	1.0
251.20146	8.9
259.17136	0.8
261.18579	1.1
277.18082	77.5
278.18463	6.3
279.19653	32.7
280.19934	2.2
295.19138	100.0
296.19485	9.1
306.18692	0.7
345.24121	0.9
363.25388	18.7
364.25790	2.1
367.15445	1.9
381.26443	6.6
382.26926	1.1
388.10782	0.8
389.16367	1.2
425.16394	0.7
463.21030	15.7
464.21240	1.8
498.87183	0.8
549.28448	43.1
550.28839	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	549.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92906	0.2
54.61241	0.2
59.01246	0.3
60.95565	0.2
69.92095	1.2
77.03828	1.6
93.03328	0.3
102.93185	0.2
108.87235	0.2
121.02842	100.0
122.03177	3.9
142.01190	0.2
147.04453	0.3
151.11197	0.6
157.54375	0.3
165.01840	49.0
166.02187	2.0
170.05383	0.2
170.65623	0.2
180.05666	0.6
181.06517	2.5
197.06046	2.9
199.13297	0.4
207.04434	1.2
207.08170	0.3
225.05518	1.6
257.09781	0.6
285.09232	0.4
313.07153	1.5
334.07211	0.3
357.06171	0.8
381.26459	1.0
383.07675	0.6
417.09711	2.1
418.10150	0.3
492.05988	0.3
505.11420	1.5
549.10364	23.7
549.28168	0.6
550.10699	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21576	0.2
58.31557	0.2
59.01241	0.8
59.93299	0.2
61.98701	0.4
63.76694	0.2
66.00831	0.2
66.10152	0.2
68.02406	100.0
69.02110	0.6
69.02740	0.8
71.57035	0.3
78.95778	0.2
81.27001	0.2
181.12192	0.2
189.08609	0.2
199.13275	0.5
209.11971	0.2
217.00200	0.4
373.76352	0.2
381.26514	0.3
383.10406	2.1
384.10550	0.4
437.07159	0.2
452.17227	0.5
480.16943	2.6
481.17221	0.4
484.26987	0.2
514.49957	0.2
549.20282	2.7
549.28186	0.4
550.19983	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	9.6
59.01250	12.5
70.16422	11.4
71.01264	13.3
72.99187	3.2
75.00743	9.0
76.15624	3.2
78.95781	5.8
81.50540	2.9
83.01245	4.0
85.02821	92.9
87.00757	6.3
89.02334	3.9
96.95878	9.0
102.37933	3.5
109.02838	24.9
111.00782	9.4
119.04900	7.3
123.04440	4.6
129.01825	26.4
129.03377	7.3
138.36964	3.0
142.51010	3.3
145.02866	10.6
146.03601	7.4
147.02910	9.3
147.04410	100.0
152.30251	3.6
159.04408	13.6
173.00851	5.2
191.01920	61.4
209.02983	29.7
229.01363	13.4
235.35590	3.9
267.06409	7.2
269.08185	35.1
277.04965	5.1
277.87115	3.4
295.06091	11.2
313.07254	23.3
339.05115	35.7
531.07800	4.8
549.08929	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	549.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90562	0.9
57.03320	3.9
59.01244	6.9
64.47076	1.0
71.01259	4.5
71.57699	2.0
72.99188	1.5
73.02827	1.0
83.01256	2.0
85.02824	22.4
89.02314	2.0
96.95889	2.4
101.02333	1.3
107.01280	3.8
108.02042	1.6
109.02798	1.3
111.00799	1.6
113.02288	1.2
121.02880	4.2
123.04457	1.8
128.03378	1.2
129.01881	1.9
131.91933	1.1
133.04956	8.5
135.04378	1.3
136.01526	7.4
137.02342	1.8
139.10843	1.2
147.02876	2.8
148.01573	1.9
151.00290	13.9
151.03944	10.3
163.00296	3.6
164.01010	1.3
166.02614	9.4
169.01297	1.4
175.03854	1.1
178.99786	6.2
181.05011	11.8
184.98158	1.0
191.01929	10.3
209.03014	4.8
211.04022	1.8
215.03491	1.2
226.02859	1.1
227.03401	4.5
243.02975	10.2
245.04486	1.2
254.02234	1.7
255.02969	33.3
256.03418	2.5
271.02463	61.4
272.02859	6.5
273.04172	1.0
283.02435	1.7
299.02032	3.2
300.02740	100.0
301.03473	52.8
302.03857	3.8
312.02835	1.4
313.03610	1.3
350.00769	1.2
357.09802	2.2
372.11874	1.5
387.09512	1.4
387.14505	25.1
388.14539	1.5
445.07816	2.3
463.08862	2.1
505.09848	61.6
506.10260	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	548.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41139	0.9
59.01255	72.8
61.98708	1.7
69.03336	12.2
71.01253	1.3
71.57975	1.3
78.95780	45.0
80.96411	2.2
84.60348	1.0
95.04894	1.5
96.96883	1.0
97.06467	1.5
101.05977	1.1
101.74504	1.0
122.98404	1.7
145.49376	1.1
152.99498	14.6
167.10690	2.1
168.04243	6.5
171.10129	1.2
187.14851	2.4
193.12303	4.3
205.12236	4.4
205.14032	1.4
205.15900	3.7
221.15469	6.9
224.06891	10.6
231.13907	12.6
242.07941	4.3
249.14949	69.1
250.15277	5.0
251.16588	1.6
252.16861	1.0
253.17024	1.4
256.68439	1.0
263.16495	2.4
284.14389	1.2
287.16550	2.1
288.16867	2.4
309.20944	1.2
310.20926	2.7
311.21771	1.1
441.30066	5.7
454.60172	1.3
455.15530	1.0
459.31207	2.0
461.19812	2.4
471.30646	1.1
474.22638	100.0
475.23157	11.0
488.24374	1.3
488.31235	1.3
489.32303	3.4
549.20007	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	549.0885
Annotation	Quercetin 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
59.01233	0.6
60.26403	0.5
65.00185	1.4
69.41135	4.8
83.01258	1.3
85.02820	1.4
88.76048	0.6
89.02314	2.3
101.02298	0.9
107.01256	2.3
108.02030	1.6
109.02843	1.6
121.02800	1.6
128.03510	0.7
135.00754	0.8
148.01501	1.0
151.00276	10.1
159.81003	0.5
163.00284	2.0
164.01131	0.8
167.17664	0.6
169.01306	0.9
178.99779	6.0
183.04326	0.6
199.03926	0.7
208.61679	0.7
211.03899	1.2
221.25993	0.6
226.02734	0.7
227.03458	2.8
229.04982	0.9
243.02943	8.7
244.03355	1.3
254.02216	1.4
255.02979	23.3
256.03378	2.0
271.02472	51.3
272.03003	5.2
273.03830	1.0
283.02576	0.8
299.01938	2.4
300.02737	100.0
301.03455	49.0
302.03842	3.8
306.07584	1.0
343.04544	0.9
411.44803	0.6
431.67361	0.7
463.08716	4.9
505.09875	76.1
506.10147	10.7
521.97113	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.1
57.80545	0.9
59.01255	32.4
60.01594	0.8
62.30053	0.7
66.41505	0.7
67.01765	0.7
69.03325	13.2
69.47546	6.7
71.01250	1.6
71.04898	0.9
78.95778	23.1
80.96385	4.0
83.04889	1.9
95.04917	2.2
96.95874	1.2
96.96882	1.1
97.06487	1.3
107.04842	0.8
111.08027	0.8
118.18358	0.9
122.98435	1.3
123.08030	0.9
149.13235	2.0
151.10030	0.9
151.11223	0.9
152.99489	9.1
161.33672	0.8
162.61548	0.8
164.98480	1.0
167.10701	1.2
168.04291	4.9
171.10152	0.8
187.14844	2.4
193.12294	3.8
205.12338	5.1
205.15851	4.2
221.15396	8.1
224.06929	3.4
225.00752	0.9
231.13831	14.7
232.14192	1.5
233.15439	3.2
242.07942	8.4
249.14934	100.0
250.15286	6.8
263.16412	1.1
265.18073	6.7
273.18707	1.0
274.32321	0.9
291.19720	3.1
305.21204	1.6
309.20706	1.0
323.22324	6.9
350.23642	0.8
474.22626	60.1
475.22958	5.6
490.25577	2.0
548.30096	5.4
549.20117	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	548.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11966	0.2
56.45314	0.2
57.03328	0.4
59.01254	1.4
61.98685	0.3
64.90406	0.2
65.03827	0.4
71.01294	0.3
71.04886	0.4
71.58170	0.5
75.00748	0.7
78.95777	54.4
83.04879	0.2
86.70916	0.2
89.02269	0.4
92.04932	0.3
93.03358	0.2
96.96838	7.2
97.06448	0.4
101.02335	0.4
104.59254	0.2
121.06465	0.6
125.02371	0.3
125.09583	0.4
126.20641	0.3
136.03937	1.7
150.97908	1.7
152.99493	100.0
153.99826	1.6
171.00566	4.0
171.02203	0.3
171.02592	0.2
171.10159	0.4
185.11797	0.6
194.21591	0.2
211.13094	0.3
235.13383	0.4
274.97885	0.3
461.19470	23.1
462.19931	2.5
519.39453	0.3
548.22369	3.6
549.23047	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63956	0.6
59.01253	21.0
61.98702	100.0
66.35082	0.5
69.38161	5.4
71.01260	5.6
73.02826	5.9
74.25135	0.5
78.95779	7.5
83.01276	1.9
85.02827	5.2
86.03193	0.6
89.02327	2.1
96.96840	0.8
101.02317	7.3
111.00764	1.1
113.02353	2.7
119.03432	0.8
138.06735	0.6
138.12242	0.5
149.04462	1.0
152.99466	9.5
161.04390	3.1
191.01886	0.7
194.83745	0.7
253.09256	0.6
254.09647	0.6
279.53256	0.6
302.64117	0.6
310.21353	1.0
311.21841	0.9
312.22672	1.1
320.41946	0.6
324.20724	0.8
414.24771	0.6
426.94058	0.6
461.19208	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	547.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83121	0.2
55.01768	1.1
57.03323	2.5
58.00474	0.5
59.01251	100.0
60.01596	0.7
61.98695	1.8
65.62032	0.2
68.02419	0.9
69.03324	1.2
71.01252	15.6
71.04918	0.4
71.57606	0.4
72.99192	0.8
73.02821	4.4
75.00736	0.4
78.95789	0.4
80.57903	0.2
81.03352	0.2
81.24638	0.2
83.01255	4.7
83.04862	0.2
84.01580	0.3
85.02823	11.8
85.99986	0.5
86.03181	0.3
87.00761	1.2
89.02302	3.8
90.61717	0.2
93.07011	0.4
95.01263	1.6
96.95903	0.4
97.02830	1.6
97.06479	0.2
99.00746	2.3
101.02320	11.2
103.03904	0.3
111.00769	1.8
111.08062	0.2
112.01532	0.3
113.02332	7.7
115.03916	0.4
117.65791	0.2
119.03368	1.2
124.01591	0.4
125.02347	1.9
128.03487	0.3
129.01851	0.5
131.03375	0.4
142.02638	0.3
143.03392	2.1
147.02896	0.3
157.08632	1.0
159.02962	0.7
161.04471	4.4
171.10179	1.3
171.13800	0.6
175.81783	0.3
179.05519	0.5
183.13763	0.3
189.94617	0.3
191.01894	1.2
195.42065	0.2
197.15331	0.3
205.03470	0.4
209.02965	1.0
209.11560	0.2
213.18506	0.7
221.06639	0.5
223.11206	1.9
249.14980	0.4
295.26297	0.4
297.24307	1.8
315.17960	0.3
323.09937	0.3
325.27582	0.6
333.19183	0.7
343.28510	5.1
357.22815	0.9
375.23981	1.9
385.29404	0.4
439.30487	0.5
441.94012	0.2
457.31714	0.7
469.31638	0.7
474.22696	0.6
487.32761	31.8
488.33124	4.4
502.36722	0.2
505.33829	17.9
506.34286	2.2
547.24622	0.4
547.34613	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.0
57.03326	2.3
58.00471	0.5
59.01251	100.0
59.83175	0.2
59.96336	0.2
60.01595	0.9
61.98705	8.4
66.96215	0.2
66.99860	0.2
68.02415	0.4
69.03323	0.8
71.01254	20.9
71.04901	0.3
71.57763	0.2
72.99189	1.0
73.02817	4.2
73.03192	0.4
75.00751	0.9
78.95785	0.3
80.96395	0.3
81.03360	0.2
83.01257	3.0
83.86217	0.2
84.02053	0.3
85.02823	16.1
85.99976	0.6
86.03163	0.3
87.00732	1.5
89.02315	4.3
89.02822	0.3
93.03359	0.3
95.01262	2.3
96.07137	0.2
97.02820	0.6
99.00755	2.4
101.02324	10.4
102.02628	0.2
108.99826	0.2
111.00783	1.6
111.01437	0.2
112.51399	0.2
113.02328	11.3
114.02689	0.4
115.03928	0.3
118.94929	0.2
119.03397	1.2
123.08047	0.2
124.01559	0.5
125.02316	1.5
129.01819	1.1
133.01288	0.3
137.43727	0.2
141.01831	0.3
142.05525	0.2
143.03421	1.8
143.04445	0.3
146.08325	0.2
147.02873	0.9
159.02940	1.2
161.04462	6.1
161.05811	0.3
162.04771	0.3
169.12306	0.3
171.10162	0.5
171.13806	0.9
173.00876	0.5
179.05540	0.4
185.15413	0.2
191.01888	2.8
198.60675	0.3
209.02977	6.0
225.11295	0.3
253.09253	0.3
271.23291	0.2
283.02545	0.2
309.20770	0.4
310.20905	0.3
311.21658	0.7
315.18182	0.5
325.27634	0.3
329.06470	0.2
330.63171	0.2
333.19138	0.7
341.27063	0.4
343.28513	3.4
344.28821	0.5
457.31738	0.4
469.31744	0.7
487.32770	40.2
488.33109	5.5
505.33817	17.5
506.34235	2.0
547.25677	0.3
547.34985	0.5
559.10510	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.1
57.03332	3.9
58.00468	0.9
59.01247	20.7
61.98703	7.1
69.03317	0.9
71.01250	10.4
71.57689	0.6
72.99184	0.9
73.02813	2.0
75.00697	0.6
78.95777	8.5
83.01241	1.8
84.02059	0.8
85.02823	25.6
86.03149	0.5
87.00761	1.5
89.02319	8.8
91.03882	0.6
95.01264	1.5
96.95918	0.6
96.96854	2.9
99.00734	1.0
99.08038	2.1
101.02325	9.2
107.04980	0.5
109.59982	0.5
111.00754	2.2
113.02328	5.0
113.09602	2.1
119.03386	2.6
121.02808	0.7
123.08002	0.7
125.02380	0.6
127.07553	0.6
127.11237	0.7
129.01816	2.2
129.09123	4.0
135.04398	0.5
143.03403	0.6
147.02888	2.5
151.11165	1.0
152.99480	1.4
161.04489	3.9
167.14374	0.6
169.12283	2.8
171.36951	0.4
173.00821	0.9
179.05530	1.3
181.12256	3.7
183.13829	2.0
187.43335	0.5
191.01910	6.0
193.12230	1.6
197.11766	9.1
198.12125	0.5
199.13303	5.1
211.13345	20.5
212.13695	1.5
253.09277	33.0
254.09627	1.4
265.21637	0.7
275.20038	1.1
291.42111	0.5
293.21207	13.8
294.21536	1.3
310.21210	0.5
311.22272	100.0
312.22607	9.8
385.21683	0.6
434.01923	0.5
487.32889	3.1
488.33133	0.6
505.33954	1.0
547.31946	7.2
548.32233	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74547	0.4
55.01731	0.7
55.93828	0.4
57.03324	2.8
58.00455	0.7
59.01251	15.3
61.98689	2.0
69.03326	0.9
71.01252	9.9
71.57767	0.6
72.99180	0.6
73.02816	2.0
73.44875	0.4
75.00732	0.7
78.95764	2.1
83.01265	1.1
83.04890	0.5
85.02824	11.7
87.00745	1.7
89.02321	7.1
91.03856	0.7
95.01253	1.0
96.95866	1.0
97.02804	0.6
99.00751	0.7
99.08023	1.6
101.02322	8.8
111.00739	0.9
113.02319	4.8
113.09609	2.2
114.52077	0.5
119.03372	1.6
123.08019	0.8
125.02325	0.5
127.07505	0.7
129.01814	0.8
129.09091	4.7
131.03400	0.6
143.03334	0.9
147.02858	1.4
151.11185	0.6
161.04475	3.0
163.11086	0.7
165.12766	0.5
169.12270	2.3
179.05469	1.3
181.12247	4.2
183.13829	1.6
191.01894	2.3
193.12270	1.3
197.11763	8.3
198.12006	0.7
199.13321	4.9
202.94331	0.5
211.13342	20.2
212.13727	1.1
227.12749	0.5
253.09268	31.1
254.09566	1.5
265.21790	0.7
275.20212	1.7
293.21243	16.0
294.21539	1.4
311.22269	100.0
312.22632	10.3
330.47275	0.5
447.26227	0.6
487.32578	1.0
505.33789	1.1
547.31232	14.0
548.31909	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	547.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76442	1.3
59.01250	10.5
71.01244	5.6
71.57812	2.0
71.58199	1.8
72.99167	2.9
78.95770	3.2
85.02819	2.0
86.02363	6.7
87.00753	100.0
88.00283	21.2
89.02319	4.9
93.03286	1.5
96.23624	1.5
96.95914	1.8
96.96831	1.6
99.05562	1.3
101.02319	3.7
102.05537	1.4
113.02304	2.4
115.00259	6.1
119.04905	1.9
123.04415	3.4
128.03432	4.4
143.04509	1.7
249.09056	1.7
281.08237	1.8
292.07440	1.9
295.09836	1.5
383.09665	1.8
513.04041	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	547.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.2
59.01240	3.2
59.44713	0.6
66.51774	0.6
71.04253	1.8
85.02814	6.9
89.02320	1.0
99.94021	0.6
101.02323	0.7
107.25224	0.6
109.99972	1.2
111.00745	0.7
115.19723	0.6
117.03301	0.7
120.80368	0.6
123.08058	0.9
129.01825	0.8
138.57449	0.7
149.55135	0.7
166.31425	0.6
173.71901	0.6
183.04414	1.9
184.04823	0.6
189.29375	0.7
191.01901	2.3
209.02988	8.0
210.03316	0.6
211.03929	3.5
227.03413	14.7
228.03987	1.7
255.02960	56.1
256.03543	7.4
271.06152	1.1
283.02469	82.5
284.03159	27.4
285.03641	1.9
297.99765	0.9
298.04807	48.1
299.05579	100.0
300.05954	9.4
383.45029	0.7
407.02069	0.6
487.32492	1.2
503.11954	45.9
504.12234	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	545.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00470	3.3
59.01254	100.0
66.31553	1.7
69.03297	2.9
71.01254	40.1
72.30295	1.6
72.99175	3.8
73.02824	9.3
73.73717	1.9
78.95782	8.5
83.01318	2.4
85.02818	13.5
87.00735	3.8
89.02315	19.9
96.95926	2.2
97.02877	1.6
99.00766	5.0
101.02330	27.5
102.98614	1.8
109.06473	2.5
111.08032	13.4
113.02328	15.9
113.27872	2.0
114.15229	2.2
119.03379	6.7
121.02860	3.2
125.02258	2.3
131.04897	2.9
143.03371	2.8
152.99519	4.1
159.02907	3.6
161.04485	22.5
169.12256	4.1
181.12346	2.2
189.64874	2.0
193.12270	2.0
197.11763	57.9
198.12099	2.4
199.13310	6.8
207.10216	2.1
209.11736	2.7
211.13396	6.4
227.12883	5.1
228.22739	1.7
253.09245	38.6
254.09596	2.1
258.29095	2.1
263.20175	3.5
265.18179	2.6
291.16620	3.3
291.19647	26.3
292.20013	4.2
309.20706	80.0
310.20938	9.5
323.25894	2.7
340.51797	1.9
361.27451	1.9
369.11325	4.0
485.31241	30.7
486.31537	3.9
527.18347	2.7
545.19531	28.0
545.32520	2.7
546.19775	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	545.297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36793	0.5
55.01750	0.9
57.03319	1.4
59.01249	12.4
67.78841	0.5
71.01263	6.2
71.04895	8.1
71.58232	0.7
72.99182	0.8
73.02792	1.3
78.38644	0.5
78.95782	5.3
83.01222	0.7
83.04880	0.8
85.02821	2.2
87.00767	1.0
87.87746	0.5
89.02326	6.3
91.03868	0.6
93.03354	0.8
94.36924	0.5
95.01260	0.8
95.04932	0.6
96.95904	0.8
96.96851	0.6
97.06470	2.3
97.58936	0.5
101.02329	6.6
107.04913	1.0
113.02330	3.7
119.03392	2.0
121.02876	1.0
121.06507	0.6
121.10142	3.1
123.04405	0.5
123.08060	1.7
125.09607	4.8
135.04384	0.8
135.08000	0.6
137.08691	0.8
137.09625	9.1
139.11198	0.5
143.03441	0.7
152.99490	3.6
161.04466	3.8
171.10191	18.1
172.10451	0.6
185.11755	6.2
197.11708	0.9
207.13791	0.6
211.13353	1.1
219.13875	1.2
233.15352	0.6
235.16876	1.0
237.14899	1.2
247.20770	0.6
251.16507	19.4
252.16968	1.1
253.09276	27.8
254.09505	1.1
273.18622	1.0
291.19681	35.7
292.19977	2.7
309.20715	100.0
310.21042	8.2
355.32080	0.6
457.17596	0.6
463.20468	0.6
468.87631	0.7
515.18665	1.2
545.19708	5.6
545.27246	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19530	0.4
55.01752	0.6
57.03318	1.6
58.00476	0.6
59.01252	12.2
65.03826	0.6
69.03321	0.8
71.01259	8.3
71.04898	6.7
71.57298	0.5
71.57713	0.8
72.99204	0.7
73.02818	2.0
78.95777	5.9
83.01245	0.9
83.04863	0.5
85.02812	2.4
87.00764	1.5
89.01765	0.7
89.02312	7.0
95.01278	0.7
95.04893	0.6
96.95890	1.8
96.96828	1.5
97.06478	2.4
98.20408	0.5
101.02328	8.2
107.04895	1.2
113.02346	3.9
119.03381	2.0
121.10116	4.0
123.08028	1.5
125.09615	4.5
137.09624	7.7
139.11215	0.5
141.12807	0.6
143.03403	0.7
147.04430	1.8
151.11168	0.6
152.99507	4.3
161.04515	2.9
168.56647	0.5
171.08745	1.1
171.10188	16.2
179.05550	1.1
184.58838	0.5
185.11745	7.0
197.11795	1.5
197.90979	1.2
207.17497	0.7
209.11838	0.9
211.13522	0.7
217.58861	0.5
219.13850	1.0
223.13220	0.5
233.15422	1.0
235.16919	0.6
237.14957	1.7
247.20638	1.2
251.16512	21.2
252.16829	1.6
253.09268	32.5
254.09734	0.8
273.18652	0.7
289.18127	0.5
291.19669	37.9
292.20096	2.9
305.40210	0.6
309.20709	100.0
310.21005	7.5
379.21185	0.5
463.21567	0.9
545.19324	1.5
545.28387	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.7
57.03322	1.7
59.01250	9.7
60.77308	0.4
69.03303	0.6
71.01256	7.4
71.04896	6.1
71.57614	0.8
73.02809	1.4
78.95779	8.5
80.27579	0.4
83.01273	0.8
85.02822	1.7
87.00745	1.6
89.02324	5.7
93.03352	0.7
95.01247	0.6
95.04868	0.5
96.96839	2.1
97.06462	2.7
98.26579	0.5
99.00723	0.6
101.02315	7.1
106.10871	0.4
107.04892	1.5
111.08055	0.6
113.02318	2.9
119.03391	1.5
119.04929	0.5
119.08550	0.6
121.02821	0.8
121.06452	0.7
121.10098	4.3
122.98391	0.5
123.04342	0.6
123.08028	1.2
125.09595	4.2
135.08032	0.8
137.09616	7.4
141.12741	1.0
143.03419	1.0
152.99492	10.0
161.04437	3.7
171.00572	0.6
171.10187	14.7
179.05533	1.2
185.11758	6.8
186.12053	0.5
197.11755	1.1
207.13800	1.2
207.17433	0.6
209.11815	1.5
211.13364	1.2
219.13846	0.8
221.41295	0.4
235.08159	0.4
235.13437	0.9
235.17068	1.2
237.14912	1.8
242.07909	0.6
247.20564	1.0
251.16505	21.7
252.16797	1.2
253.09262	30.5
254.09567	1.4
275.16489	0.5
291.19669	37.8
292.19894	2.2
303.19775	0.6
309.20706	100.0
310.21051	7.6
321.20795	2.0
347.10806	0.4
406.43613	0.4
425.95038	0.5
463.21161	2.5
464.10880	0.5
479.16669	1.0
491.16699	0.9
497.17444	1.3
503.53448	0.5
509.17746	2.1
515.18695	4.0
516.18701	0.6
520.41193	0.5
527.18640	6.2
528.19366	1.0
545.19763	5.3
546.20056	1.3
546.28168	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.8
57.03318	2.5
58.25586	0.7
59.01250	38.5
60.01580	1.2
60.80981	0.7
61.98704	1.8
69.03331	1.6
69.79774	1.6
69.80179	2.5
71.01256	14.9
71.04893	2.0
72.99158	0.8
73.02816	5.8
74.65539	0.6
78.95766	1.2
80.42550	0.6
83.01260	2.8
83.04910	1.1
85.02829	7.6
85.06468	0.7
87.00741	1.2
87.04398	1.2
89.02315	9.5
93.03365	0.9
95.01273	1.4
96.95776	0.7
99.00771	0.9
99.04378	1.0
99.39566	0.6
101.02325	15.4
101.05968	0.9
109.06462	0.8
111.00774	2.9
112.05185	0.7
113.02320	6.2
115.13254	0.6
118.96817	1.1
119.03394	4.0
125.02288	0.9
125.09602	0.7
131.03439	0.9
143.03412	1.1
161.04453	6.4
171.10170	2.0
177.12669	0.8
179.05473	1.6
181.12233	1.0
187.29170	0.6
189.16345	1.1
191.01982	1.2
195.13860	6.2
197.02713	2.3
201.11304	1.0
207.13838	2.7
207.17523	3.2
209.11766	1.4
209.15527	0.8
211.13316	7.5
212.13672	0.8
221.15404	6.3
223.16989	19.6
224.17274	1.6
225.11304	1.4
233.15387	10.6
234.15649	1.1
235.08237	1.4
235.17000	2.7
237.06934	1.1
251.16513	65.8
252.16852	5.6
253.09273	44.8
254.09631	1.2
273.18582	3.6
281.05875	2.9
291.19681	20.5
292.19983	2.1
309.20712	100.0
310.21036	8.2
485.31311	4.5
503.32306	1.9
545.23596	5.6
546.24194	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.8
59.01252	26.5
69.03323	3.4
71.01262	12.0
71.04890	3.3
71.57459	1.2
73.02809	1.7
78.95764	8.0
85.02838	3.4
87.00742	1.9
89.02306	10.4
91.03889	1.0
93.15246	1.0
97.02843	1.3
97.06464	1.5
99.00768	1.8
99.04439	1.2
101.02323	10.9
113.02336	5.3
119.03392	2.5
119.04887	1.1
121.02901	1.5
122.98420	1.3
135.04463	1.4
152.99516	5.5
161.04480	4.4
163.52295	1.0
171.10066	1.1
181.12262	1.3
183.13828	2.0
189.16566	1.0
195.13846	7.3
207.13809	2.3
207.17410	2.3
221.15379	5.9
223.17033	15.4
231.13812	3.0
233.15451	8.8
235.16913	2.5
249.14961	17.2
251.16512	54.0
252.16782	4.3
253.09286	42.9
254.09747	1.4
273.18625	4.3
291.19690	19.8
292.20047	1.5
309.20721	100.0
310.21051	8.3
321.20810	3.6
485.24057	2.7
501.48373	1.1
545.19415	3.7
546.19794	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	545.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.9
57.03321	2.4
58.00466	0.8
59.01250	20.9
60.01598	0.4
61.80589	0.4
69.03314	1.7
70.64931	0.9
71.01250	10.2
71.04881	1.9
72.99165	0.5
73.02825	3.7
83.01256	1.5
83.04887	0.9
84.02054	0.6
84.67136	0.4
85.02825	3.9
87.00728	1.7
89.02314	9.2
91.03889	0.4
93.03352	0.4
95.01247	1.1
95.04913	0.6
97.02823	6.6
97.06461	3.6
99.00760	0.9
99.04346	0.4
101.02322	11.7
109.06477	1.4
111.00765	1.1
111.04408	0.9
111.08057	3.3
113.02325	5.0
119.03366	3.2
121.10030	0.4
125.02312	0.5
125.05952	0.9
125.09567	0.9
127.04907	0.4
127.07539	0.9
129.09099	0.6
131.03450	0.6
137.09628	1.2
143.03380	1.4
149.04463	1.1
161.04448	5.8
163.11247	0.8
165.12761	1.4
169.12210	1.0
171.10194	4.7
173.00633	0.4
177.12755	0.7
179.05533	2.3
179.14171	0.6
181.12279	1.2
183.01103	0.8
183.13834	4.0
185.11766	0.5
191.01889	0.5
193.12238	2.2
195.13823	5.1
197.02727	1.1
197.11768	9.8
199.13394	0.9
207.13824	0.7
207.17470	0.7
209.11794	1.3
209.15396	3.6
211.13348	4.2
221.15451	1.1
223.16940	4.0
226.82683	0.5
227.12840	1.7
233.15410	3.9
235.08063	0.5
239.16676	0.5
247.20584	1.7
251.16505	11.4
252.16750	0.8
253.09262	41.9
254.09555	2.0
263.20193	1.0
273.18710	2.0
291.19662	27.6
292.20068	2.8
309.20703	100.0
310.21057	11.3
485.30759	0.7
503.32074	0.5
545.23193	2.8
545.31714	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92025	0.5
55.01763	0.9
57.03318	1.9
58.00469	1.4
59.01251	33.2
60.01594	0.5
69.03324	1.5
71.01252	16.2
72.99186	0.7
73.02816	4.2
78.16060	0.5
80.15926	0.6
83.01250	1.3
83.04911	0.8
85.02824	5.2
87.00757	2.0
89.02318	13.3
93.06969	0.9
95.01285	1.7
97.02779	0.6
98.20166	2.9
99.00765	1.5
101.02322	14.7
109.06475	1.1
111.08043	17.9
113.02329	8.1
113.55571	0.5
117.89089	0.5
119.03387	4.4
127.07561	1.4
131.03391	0.7
137.09610	0.7
143.03398	1.4
151.11200	1.4
153.09142	0.8
153.12808	1.5
155.10719	0.7
161.04482	10.6
165.12740	0.6
167.10683	0.9
169.12265	5.6
171.10201	1.7
179.05499	2.6
181.12286	1.4
183.13838	1.7
185.79362	0.5
193.12138	0.5
197.11763	74.8
198.12047	4.0
199.13303	5.8
209.11711	0.6
211.13330	10.4
227.12875	1.8
228.38666	0.6
229.19456	0.5
235.08214	0.7
253.09258	53.3
254.09581	2.3
263.20126	6.0
265.18155	2.6
273.18591	2.0
291.19656	29.2
292.20044	3.5
309.20691	100.0
310.21072	10.0
473.46924	0.5
485.31155	8.6
486.31305	1.6
545.32739	0.7
563.04669	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15168	0.5
55.01754	0.7
57.03315	1.3
59.01249	16.3
63.60055	0.4
67.01738	0.6
68.24071	0.5
69.03331	2.4
69.54875	3.5
71.00884	0.8
71.01253	9.8
71.82899	0.4
72.99184	0.6
73.02825	1.6
76.36024	0.4
83.01254	1.2
83.04888	1.1
85.02824	4.6
87.00763	1.7
89.01758	0.5
89.02316	9.6
95.01286	0.5
95.04894	0.7
95.41597	0.4
97.02827	11.0
97.06441	0.7
98.95372	0.5
99.00797	0.4
101.02318	10.1
109.06485	1.1
111.00729	0.8
111.08038	10.2
112.93637	1.2
113.02337	5.7
119.03373	2.9
119.08549	0.9
123.08109	0.5
125.09627	0.5
126.99476	0.8
127.07508	0.7
128.03455	0.5
131.03380	0.6
132.25909	0.4
137.09636	3.9
138.09909	0.5
143.03418	0.8
151.11176	0.7
153.12711	1.0
161.04446	5.4
161.05672	0.6
165.12775	0.6
167.10695	0.6
169.12236	3.4
171.10165	8.4
179.05531	1.8
179.10670	0.5
181.12291	0.5
183.13869	0.7
183.70592	0.6
185.11700	0.7
193.12241	1.0
194.09308	0.9
195.13864	1.2
197.11761	47.1
198.12132	2.5
199.13351	3.1
209.11780	0.8
211.13321	7.4
221.11816	1.3
221.15396	0.8
225.14912	2.2
227.12828	1.5
231.13844	1.2
235.07982	0.6
239.12872	1.2
242.48030	0.4
247.20680	0.8
249.14923	8.4
253.09265	44.8
254.09589	1.9
263.20114	2.5
265.18088	1.3
267.91428	0.5
273.18616	1.5
274.18918	0.5
291.19656	23.7
292.20068	2.1
309.20703	100.0
310.21048	9.5
375.97595	0.5
380.11789	0.6
383.18167	0.5
471.91830	0.5
485.23508	1.6
539.25073	0.4
545.24152	1.6
546.23401	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	3.2
59.01254	19.1
61.98698	1.2
67.01752	1.1
68.99654	1.1
69.95394	3.1
69.95799	1.3
71.01257	16.0
72.99171	5.5
73.02831	1.8
75.00755	15.4
75.11231	0.9
78.95787	4.4
85.02826	18.9
87.00758	5.9
89.02315	4.3
92.06497	0.7
95.01260	3.6
96.95898	3.5
97.02831	1.3
98.20518	1.6
99.00770	8.6
101.02330	1.0
103.00228	1.8
113.02335	28.1
113.09608	1.3
115.00256	1.4
116.98023	0.8
117.01826	2.0
142.42844	0.8
144.99153	0.8
152.99487	3.6
157.28859	0.8
175.02390	3.2
195.13818	9.5
205.07097	1.5
223.08197	1.1
237.24838	0.9
249.06131	6.1
253.17986	1.3
267.07120	5.2
277.21695	9.4
295.19437	1.8
295.22784	35.3
296.22977	2.9
527.28699	2.0
545.29657	100.0
546.29913	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	545.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14444	0.2
57.03306	0.2
58.00462	0.3
59.01255	4.9
60.99170	0.5
70.60155	0.6
71.01252	2.7
72.01553	0.3
72.99180	13.6
73.02814	0.3
73.99519	0.2
75.00745	9.7
76.01045	0.2
78.95795	0.2
83.01292	0.2
85.02817	1.7
87.00761	0.3
87.04391	0.2
88.98669	2.4
89.02316	3.9
96.95886	1.5
98.20409	0.2
99.04408	0.5
101.02316	2.2
111.00756	0.6
113.02335	1.7
115.03905	0.8
119.03384	2.2
120.23537	0.2
123.00912	0.2
131.03375	0.3
133.04961	100.0
134.05284	2.1
143.03366	0.5
149.04478	0.3
155.94611	0.2
161.04471	0.8
161.13280	1.2
173.00778	0.2
179.05557	2.1
179.06996	0.3
187.11180	1.4
191.01930	0.4
205.12288	3.5
206.12663	0.3
229.12260	0.5
249.11317	3.5
298.82971	0.2
365.15982	0.6
385.18628	1.5
411.16449	0.5
429.17645	3.9
430.17865	0.3
440.14484	0.4
459.09250	0.2
545.22388	8.8
546.22943	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.1
55.69344	0.5
57.03311	1.1
58.00466	1.3
59.01250	15.0
69.03331	1.9
70.70492	0.5
70.93347	1.2
71.01250	10.3
73.02824	2.4
76.32908	0.5
82.37825	0.5
83.01250	0.6
83.04884	0.8
85.02826	3.1
86.25952	0.5
87.00754	1.3
89.02316	10.1
97.02840	3.2
97.06509	0.7
101.02321	11.0
104.20284	0.5
106.69832	0.5
111.00780	0.7
111.08044	18.4
113.02320	5.5
119.03355	3.6
123.08043	0.6
125.02287	0.7
127.07541	0.9
137.09628	1.2
143.03383	0.8
151.11185	0.8
153.09145	0.6
153.12756	1.4
161.04469	5.4
163.11125	0.9
165.12820	1.6
169.12270	7.8
171.10149	1.8
179.05537	1.9
179.10666	1.0
181.12231	1.5
183.13756	1.1
193.12315	1.4
197.11758	85.1
198.12088	4.1
199.13321	4.5
209.11717	1.0
211.13332	11.3
212.13669	0.9
214.63048	0.5
223.13420	0.6
225.14806	0.9
227.12871	3.2
247.20676	1.8
249.48616	0.5
253.09271	45.4
254.09656	1.9
255.49408	0.6
263.20178	3.5
265.18060	2.3
273.18625	2.1
291.19641	37.6
292.20020	3.2
309.20697	100.0
310.21078	9.6
450.50415	0.6
562.64502	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81522	0.5
57.03328	1.0
58.00465	0.8
59.01253	15.3
71.01260	10.1
72.91567	0.6
72.99181	17.1
73.02822	0.8
75.00349	0.9
75.00745	10.5
78.95785	0.6
79.95571	0.6
80.96380	1.1
83.01247	1.3
85.02814	5.9
89.02318	11.3
93.03305	1.2
95.01256	1.0
96.95906	5.2
99.00812	0.6
99.04383	1.5
101.02325	6.5
111.00757	2.4
113.02321	3.7
115.03916	1.6
119.03387	5.6
128.03377	0.6
133.04962	100.0
134.05293	2.0
135.04391	1.1
142.57651	0.7
143.03406	0.7
143.04453	0.6
149.04509	0.9
161.02341	0.6
161.04466	2.2
161.13274	3.6
163.86151	0.7
173.00797	1.4
179.05539	5.2
187.11206	1.8
188.57385	0.5
190.04948	0.9
191.01868	0.9
191.05569	0.6
205.12283	12.3
206.12602	0.6
209.03015	1.3
222.41798	0.6
236.39262	0.6
249.11319	17.3
250.11618	1.1
279.10101	0.7
279.17285	0.6
362.74103	0.6
371.15192	0.8
385.18701	1.8
429.17633	30.4
430.18173	3.8
545.22394	16.5
546.23260	6.6
573.28253	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2012
Annotation	Physalin T
Peak:m/z	Relative Intensity
57.03335	2.7
59.01239	5.0
71.01246	3.4
71.57085	1.3
74.02316	1.0
75.00761	1.8
78.95778	48.1
82.02901	1.2
87.00744	1.0
96.95875	2.1
96.96854	11.1
99.04384	1.2
101.02304	1.7
115.00250	1.4
125.09574	1.3
127.04955	1.1
127.11138	2.4
128.03426	2.5
131.03436	1.3
133.01288	1.9
134.95145	1.1
143.04518	2.1
152.99504	34.2
153.00745	1.8
161.04477	1.7
171.10245	1.8
207.13919	1.5
209.11792	1.9
210.08649	1.1
211.13335	3.9
221.06624	4.3
223.00150	1.0
229.14427	64.7
230.14790	3.0
230.90929	1.1
241.01172	24.5
259.02112	1.0
272.08899	1.3
306.07672	4.0
315.04898	5.4
365.13666	7.4
372.70190	1.1
401.14575	1.2
535.02722	1.0
545.20032	100.0
546.20245	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	545.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42872	1.2
55.30427	1.2
57.03307	2.0
57.67916	1.2
59.01237	1.5
64.64283	1.2
70.86510	2.9
73.74878	1.3
78.95779	65.0
81.52633	1.1
85.02838	1.9
91.82673	1.1
96.95885	4.9
96.96828	15.9
113.73266	1.2
125.09589	4.2
127.11185	3.4
128.03436	1.4
152.99496	82.0
155.14252	1.8
165.12692	1.4
167.14346	2.3
171.00525	1.8
171.10165	2.2
209.11810	3.0
211.13321	7.9
223.00198	3.7
229.14415	100.0
230.14799	5.7
241.01163	24.1
251.44070	1.2
277.12326	2.2
282.25058	1.3
315.04929	5.1
365.13663	4.6
383.14822	12.8
384.14783	1.4
419.16553	1.5
457.70599	1.4
471.71799	1.5
531.53540	1.4
545.20007	92.5
546.20544	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	545.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	5.1
63.30626	1.4
70.78429	4.1
70.78786	1.8
71.01244	1.8
75.00751	2.2
78.95777	67.9
82.54141	1.7
85.02836	2.0
89.02307	1.9
96.95876	3.2
96.96867	14.4
113.02276	1.9
125.09625	5.1
127.11143	3.5
128.03413	3.4
143.04506	2.7
150.97905	1.5
152.99493	41.6
155.14326	3.0
209.11829	2.1
211.13335	6.1
229.14409	95.2
230.14705	5.7
241.01126	28.4
282.21762	2.2
315.04779	4.7
365.13644	5.8
545.19952	100.0
546.20654	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	545.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	1.8
58.38140	1.1
59.01243	1.2
69.51205	8.9
74.26116	1.2
78.95780	59.9
86.88081	1.1
96.95893	1.5
96.96862	10.6
98.20740	1.3
106.24264	1.2
112.98411	1.2
113.03423	1.1
125.09614	2.5
127.11173	3.4
128.62589	1.1
152.99504	63.9
153.99681	1.3
167.14401	3.1
171.00552	2.2
171.10182	5.0
172.39935	1.2
183.13763	1.5
209.11783	3.5
211.13370	12.6
223.00105	5.9
229.14420	100.0
230.14844	5.4
241.01183	23.4
315.04849	7.3
322.98114	1.2
545.20056	83.0
546.20270	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	545.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19821	4.0
54.32639	4.5
58.00464	8.8
59.01254	100.0
61.98677	5.3
71.01255	62.6
72.99184	14.3
73.02829	11.4
73.26874	3.9
74.02345	5.2
75.00761	13.0
75.68999	4.6
76.08260	5.1
78.95777	25.0
84.00188	5.1
84.84645	5.0
85.02833	13.8
89.02320	88.6
94.99216	5.6
96.95876	9.5
101.02302	33.9
113.02335	29.9
115.71455	5.3
119.03409	31.7
122.98445	6.4
128.03441	4.8
131.04941	7.0
133.04987	50.3
143.03392	7.9
151.82626	5.3
152.99490	11.0
161.04472	14.3
165.12761	4.6
179.05576	37.4
199.49347	5.0
249.11270	5.5
272.08688	4.5
279.10324	17.3
441.15405	23.4
444.37421	4.8
453.24847	6.2
455.92810	5.0
466.69540	5.8
533.38458	5.5
545.20703	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82949	0.7
59.01241	3.8
71.01255	1.0
71.57740	1.2
71.58135	0.9
74.41805	0.7
78.95775	3.3
82.39655	0.7
87.00751	3.6
88.00333	0.7
89.02381	1.0
93.02740	0.7
93.03312	1.6
96.95894	1.6
101.02295	1.0
119.04868	0.9
122.98376	0.8
123.12170	0.7
128.03410	1.1
130.04115	5.8
131.04932	37.8
132.05286	0.8
147.04500	0.8
149.06003	8.7
152.99527	1.9
155.04942	1.0
167.04939	0.8
205.06296	0.7
226.23860	0.8
229.23680	0.8
231.08176	1.1
233.09636	1.6
235.07695	1.1
249.09064	1.3
259.07642	2.6
260.08371	2.4
261.09171	11.7
277.08603	1.8
279.10269	100.0
280.10611	7.9
306.07397	0.9
521.66101	1.0
545.21368	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69698	0.2
59.01250	83.2
60.01591	0.9
68.02042	0.4
68.02408	7.0
70.71905	0.5
70.72260	0.3
71.01250	0.4
72.99187	0.4
75.00761	0.7
82.03986	1.1
85.02831	0.8
89.02310	0.3
94.03798	0.2
99.08034	11.9
100.08360	0.4
101.02329	0.3
111.00736	0.2
126.99454	10.1
133.04968	4.7
134.11032	0.2
137.10747	1.1
140.00235	1.5
153.01022	0.4
155.02573	0.6
157.00557	0.4
161.04497	0.5
171.99245	0.5
175.59914	0.2
196.55705	0.2
200.41745	0.3
221.06491	0.4
239.08411	6.2
240.08791	0.5
253.09979	0.9
271.77591	0.2
322.13248	100.0
323.13556	9.9
393.60193	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	6.8
69.92654	10.3
71.01273	3.9
73.76608	1.6
78.95766	6.1
86.02355	2.9
87.00739	4.3
89.02332	2.6
93.03349	1.9
96.95869	2.6
98.19865	2.7
101.02306	2.6
107.80488	1.9
120.97392	1.6
130.04123	8.1
131.04919	40.1
149.05972	7.8
152.99489	4.8
205.12050	2.4
232.08763	2.0
249.11325	2.8
260.08218	2.4
261.09195	11.0
277.08795	1.9
279.10269	100.0
280.10565	7.9
395.63663	1.8
429.17551	5.1
509.29163	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	544.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69698	0.2
59.01250	83.2
60.01591	0.9
68.02042	0.4
68.02408	7.0
70.71905	0.5
70.72260	0.3
71.01250	0.4
72.99187	0.4
75.00761	0.7
82.03986	1.1
85.02831	0.8
89.02310	0.3
94.03798	0.2
99.08034	11.9
100.08360	0.4
101.02329	0.3
111.00736	0.2
126.99454	10.1
133.04968	4.7
134.11032	0.2
137.10747	1.1
140.00235	1.5
153.01022	0.4
155.02573	0.6
157.00557	0.4
161.04497	0.5
171.99245	0.5
175.59914	0.2
196.55705	0.2
200.41745	0.3
221.06491	0.4
239.08411	6.2
240.08791	0.5
253.09979	0.9
271.77591	0.2
322.13248	100.0
323.13556	9.9
393.60193	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98766	0.9
59.01243	2.7
63.02259	2.5
65.00199	5.5
65.99725	0.9
70.84009	0.8
71.01251	1.7
71.57423	1.0
73.02824	0.9
77.74555	0.9
79.95597	1.0
80.96364	1.1
83.01247	3.4
85.02827	2.4
90.94465	1.0
95.95167	1.4
96.95891	5.1
105.29397	1.0
107.01270	7.1
108.02058	1.1
111.00769	1.3
121.02808	1.9
124.01512	1.1
125.02312	3.1
133.02835	1.6
135.00778	1.1
135.04347	1.4
143.04890	1.0
144.04453	1.4
145.02831	1.2
146.02316	1.1
146.06001	0.8
147.03156	2.2
148.01637	1.0
151.00276	31.5
152.00946	1.9
155.75729	1.0
157.02734	1.0
159.03252	1.4
159.04494	1.1
160.01729	1.0
160.03949	3.9
161.02365	5.2
163.00255	3.1
165.98555	0.9
169.01343	3.9
169.02899	1.0
170.02391	2.1
171.04449	1.6
177.01837	1.0
178.99777	19.1
180.00230	1.7
183.04433	3.4
185.02429	1.8
186.01822	1.7
187.00262	0.9
187.02652	3.8
187.04070	1.5
188.03403	1.7
192.00433	1.1
193.01353	1.2
199.03943	6.9
200.04599	1.1
203.03401	2.1
209.03003	1.0
211.03969	1.6
213.01984	1.1
214.01445	1.8
215.03490	3.7
218.00905	1.0
223.03934	1.4
223.72665	0.8
227.03461	6.9
228.04189	1.3
239.03424	1.6
241.04901	2.0
242.02414	1.1
243.02960	15.3
244.03505	1.2
245.04573	1.2
250.04929	1.1
251.03287	0.9
255.02966	12.9
256.03552	3.7
257.04385	1.5
266.04462	1.2
267.02930	6.2
268.03696	1.4
269.04547	1.0
271.02475	36.9
272.03214	18.6
273.04077	4.4
282.04114	3.7
283.02362	6.3
284.03369	1.1
285.03979	2.9
293.03369	1.4
294.04178	10.8
295.02322	13.4
296.02759	2.2
297.04007	1.8
299.01950	100.0
300.02631	27.1
301.03485	14.1
310.03561	9.6
312.02713	4.0
313.03513	12.8
314.04251	1.9
321.02646	1.5
322.03546	16.2
323.03860	2.1
324.05179	1.2
337.03537	1.1
339.03818	58.4
340.04584	45.9
340.08795	2.0
341.04794	3.4
477.10361	10.7
502.09991	2.4
503.08426	1.1
504.09045	19.2
505.09378	2.5
517.09717	3.5
544.10974	81.6
545.11200	13.2
545.18994	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	543.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	36.4
71.20638	58.8
78.95776	35.8
94.11666	24.8
96.56711	24.9
96.95901	63.1
122.79850	27.6
130.62105	27.5
152.99548	28.6
225.22299	40.7
255.23280	54.5
271.22772	100.0
350.66101	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44312	1.9
59.01244	7.2
60.99167	4.0
61.98700	3.6
67.69045	2.1
69.45930	10.8
69.46362	5.9
71.01269	3.4
72.99181	44.0
75.00728	7.4
78.95779	10.1
79.95629	2.9
80.96378	9.2
81.03344	10.3
83.04897	35.9
85.02823	8.8
88.98673	34.3
89.02306	6.5
89.99010	2.7
90.01837	10.8
90.98477	3.9
90.99097	7.5
91.00240	24.1
96.95876	3.6
96.96836	3.4
98.02361	3.0
107.06091	2.6
113.03418	2.4
125.07074	3.3
133.04982	1.9
152.99471	4.9
154.06236	2.2
155.08162	2.3
161.04324	1.8
165.12697	2.1
191.01860	4.9
196.33237	1.7
207.14980	5.8
209.02945	7.0
209.11766	7.5
224.17622	8.2
225.16039	14.3
233.53873	2.3
241.01138	3.8
242.18712	2.2
254.23485	1.9
333.22870	12.1
351.24048	6.3
369.25317	4.4
398.24020	2.4
447.29718	19.8
448.29962	8.6
449.31314	34.8
450.31595	15.5
451.32846	100.0
452.33218	13.5
465.30786	22.7
466.31036	12.0
474.34158	2.5
483.31705	8.1
525.16327	6.1
543.17987	26.8
543.27789	9.8
544.18616	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	543.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.1
57.03317	1.9
58.00474	1.5
58.05363	0.3
59.01249	100.0
60.01576	0.9
69.03323	0.8
69.42001	3.1
71.01250	27.7
71.04897	0.5
72.01574	0.6
72.99179	0.9
73.02816	9.1
75.00777	0.3
75.87582	0.3
83.01253	4.4
85.02819	11.5
85.99992	0.4
87.00762	2.2
87.04390	7.3
89.02316	12.6
94.32394	0.3
95.01263	2.5
95.04937	0.5
97.02834	1.1
97.06498	0.3
98.20614	0.5
99.00752	3.2
101.02320	20.5
101.05958	6.7
111.00777	0.6
112.01581	0.7
113.02322	17.4
113.05954	0.4
114.02658	0.4
119.03391	5.5
124.01605	0.6
125.02313	1.8
126.99482	0.3
127.73581	0.4
129.01906	0.3
131.03406	0.9
141.73398	0.4
143.03406	3.8
149.04552	0.7
159.02907	0.6
161.04453	7.4
163.14847	0.7
166.23105	0.3
178.04861	0.5
179.05522	2.1
181.69615	0.3
233.49573	0.4
279.19662	0.3
293.21127	0.9
339.25357	4.6
340.26050	0.4
369.22876	1.5
395.24341	4.6
395.28656	0.4
396.24857	0.8
413.25613	1.2
439.40549	0.3
465.28662	1.2
483.29608	23.8
484.30066	4.0
501.30673	18.8
502.30966	2.7
543.31738	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82037	3.6
57.17937	3.3
59.01255	100.0
65.97720	3.7
69.70040	25.6
75.28809	3.7
78.95805	8.6
80.90952	4.2
81.42861	3.7
88.06676	3.6
96.95902	10.8
124.51601	3.6
161.25745	4.2
167.11264	3.9
178.28943	3.9
196.31483	3.9
227.89359	4.3
255.23405	8.2
328.32574	4.9
387.20996	4.2
461.26334	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	543.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41679	0.4
55.01757	1.0
57.03321	2.1
58.00473	1.0
59.01252	53.7
60.01576	0.6
61.22603	0.3
69.03323	0.9
69.23213	0.5
69.23542	4.3
71.01256	18.2
71.01659	0.9
71.04886	2.4
72.01611	0.4
72.99182	0.8
73.02823	5.1
80.02568	0.4
81.03358	1.1
83.01241	2.0
83.04898	1.0
85.02834	6.3
87.00750	2.3
87.04389	2.9
89.02316	10.3
90.02657	0.4
90.46432	0.3
93.07001	0.4
93.26940	0.3
95.01270	1.5
95.04890	1.2
96.95898	0.5
97.02827	0.8
97.06470	0.3
98.03611	0.4
99.00761	1.3
99.04399	1.3
101.02325	15.0
106.04126	0.7
109.06473	7.8
111.00771	1.4
111.01462	0.4
111.04406	2.9
111.08032	0.9
113.02335	9.1
113.06020	0.4
114.02662	0.4
119.03417	3.2
119.08574	0.8
121.06490	1.5
123.08075	0.7
125.02364	1.3
125.09628	1.4
127.07537	1.1
129.01859	0.5
130.47375	0.4
131.03474	0.5
135.08037	0.5
137.09592	0.5
139.07552	0.4
143.03410	1.5
143.10695	1.0
145.06488	1.6
149.09593	1.3
151.11182	0.8
152.99321	0.4
159.02869	0.8
159.07913	0.4
161.04448	5.1
163.11215	0.4
167.10701	1.5
171.10181	1.3
179.05606	2.0
179.10707	1.8
181.12288	0.8
185.11824	1.3
191.14372	0.5
195.13838	3.9
196.14047	0.4
197.11751	2.5
199.31647	0.3
201.11308	0.8
207.10129	0.8
207.40274	0.4
209.11739	1.2
215.14230	0.5
217.16003	0.8
225.11299	0.8
235.08191	0.7
243.12341	0.7
243.17586	0.5
245.19075	4.4
246.19351	0.5
249.14857	0.4
251.16516	0.5
253.09265	20.4
254.09514	1.2
263.06580	0.4
271.17114	1.4
287.16452	1.3
289.18088	100.0
290.18433	10.6
307.19086	6.4
308.19437	0.6
315.14319	0.5
333.27582	0.4
339.25284	2.5
340.25565	0.5
369.22806	2.6
395.24420	3.5
396.24670	0.9
413.25381	0.8
448.27164	0.4
465.28668	1.0
483.29599	15.6
484.29919	2.3
501.30661	11.9
502.30963	1.5
525.27014	3.4
526.27484	0.9
543.29364	1.4
544.28021	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.6
57.03320	0.8
58.00433	0.5
59.01249	23.6
62.70996	0.3
65.03825	0.6
69.03313	0.4
69.99918	0.8
70.00332	0.6
71.01254	7.7
71.04888	2.3
72.99183	0.5
73.02816	2.6
75.00743	0.3
78.95771	0.4
79.95609	0.3
80.96363	0.3
81.03337	1.0
83.01259	1.1
83.04923	0.8
85.02824	3.4
87.00741	1.3
87.22726	0.3
89.02311	5.1
95.01268	0.6
95.04900	1.1
97.02842	0.5
97.06447	0.7
98.03635	0.6
99.00758	0.8
101.02322	6.6
106.04108	0.4
107.04886	0.5
109.05710	0.4
109.06470	6.7
110.06792	0.5
111.00758	0.5
111.04416	2.2
111.08038	1.0
112.93604	0.8
113.02330	4.3
119.03346	1.7
119.08546	0.4
121.06461	1.2
123.08034	1.0
125.02338	0.6
125.09618	0.8
126.90156	0.3
127.07544	1.3
130.08591	0.3
135.08055	0.5
137.09621	0.6
143.03415	0.8
143.10634	0.8
145.06500	1.3
149.04454	0.3
149.09656	0.9
151.11208	0.5
153.30145	0.3
161.04471	3.4
163.11130	0.5
167.10683	1.8
171.10170	1.0
177.12828	0.4
179.05515	0.9
179.10713	0.6
181.12279	0.7
181.74768	0.3
185.11734	1.1
191.14287	0.5
195.13832	3.0
209.11728	0.7
211.13313	0.4
215.14348	0.5
217.15979	0.3
225.11229	0.6
233.15283	0.4
235.08148	0.8
235.13304	2.4
245.19081	3.6
251.16513	0.5
253.09253	19.0
254.09583	0.6
271.16971	1.3
273.14984	0.6
287.16541	1.5
289.18088	100.0
290.18411	10.6
307.19171	7.1
308.19379	0.9
317.15775	0.3
339.25455	0.5
346.53241	0.3
351.45197	0.3
483.29736	2.9
484.30215	0.4
494.35843	0.3
501.30676	0.9
525.27142	0.9
543.26880	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92769	1.0
57.03323	3.7
57.28696	1.0
58.75460	1.1
59.01254	20.0
64.33105	1.3
70.76278	2.2
71.01257	20.4
71.02751	0.9
71.04880	1.6
72.99183	6.3
73.02831	2.4
75.00747	18.9
78.95788	5.4
83.01248	1.9
85.02820	22.4
87.00766	7.4
89.02322	5.2
91.03900	0.9
93.10153	1.0
95.01270	6.0
98.20448	1.3
99.00745	9.5
101.02323	1.6
103.00249	4.1
109.06398	1.3
111.55492	1.0
113.02332	32.1
115.00289	2.4
117.01791	3.0
119.30692	1.2
131.03384	1.1
152.99475	3.3
157.01300	1.8
174.01595	2.1
175.02414	5.2
193.03497	1.4
205.07149	2.7
223.08197	1.5
235.16998	16.6
242.07919	1.2
249.06065	7.5
267.07153	8.5
270.19052	1.1
275.20187	19.4
276.20358	1.1
287.16650	3.6
289.18042	1.8
293.21179	11.9
307.19022	1.8
319.19186	14.7
345.12946	1.1
393.24756	2.0
410.25937	1.6
411.26083	6.3
483.26212	1.5
520.60803	1.2
525.26764	3.4
543.28094	100.0
544.28333	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	543.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	0.5
57.03325	2.4
58.00441	0.8
59.01248	18.4
65.28490	0.3
67.01727	0.4
68.02392	0.6
69.03301	1.1
71.01254	11.9
72.99142	1.1
73.02808	1.8
78.36217	0.3
78.95750	0.5
80.02541	0.8
81.03316	2.4
82.30955	0.4
83.01260	3.2
83.04876	1.3
85.02826	3.5
87.00741	1.7
89.02312	10.1
95.01230	0.8
95.04874	1.2
96.26991	0.3
97.02830	2.1
97.06463	5.7
99.00779	0.8
99.04369	0.4
101.02320	12.3
106.04097	0.8
107.04892	0.4
109.02845	0.6
109.06432	1.0
110.03613	0.6
111.04394	1.0
111.08073	0.7
113.02328	6.1
119.03388	3.2
119.04905	0.5
119.08511	0.9
121.02811	0.4
121.06444	1.7
123.04386	2.9
123.08018	1.6
125.02267	0.5
125.05965	0.8
125.09604	4.7
131.03362	0.5
133.04927	0.5
135.08047	0.9
137.09599	3.0
141.12723	0.7
143.03363	1.3
147.08032	0.6
148.08768	0.4
149.05980	0.7
150.10416	0.7
151.11130	0.4
152.99513	0.7
160.08762	0.5
161.04471	4.4
161.09572	0.4
162.10342	0.6
163.07512	0.7
163.11194	7.2
164.08350	0.4
165.09125	0.7
165.12729	2.0
167.10645	0.4
167.14133	0.4
171.10146	0.9
173.09467	0.4
175.11159	1.2
177.12659	0.7
177.74139	0.3
179.05466	1.6
179.10663	1.0
181.12230	1.5
185.11768	6.5
186.12149	0.4
191.10715	0.8
191.14337	9.1
192.14720	0.9
193.12289	0.9
196.46533	0.3
207.10234	2.5
209.11761	16.5
210.12108	1.5
211.13295	2.5
217.15825	1.2
225.11249	3.4
226.11893	0.7
227.17940	0.6
229.63367	0.4
235.08188	1.0
237.11279	12.4
238.11600	1.2
243.17583	0.4
245.19057	16.4
246.19398	1.5
247.17001	0.4
251.12903	0.4
253.09248	39.2
254.09587	2.2
257.84760	0.3
263.20145	4.9
263.22714	0.7
271.17056	2.8
272.17313	0.4
281.21191	1.3
289.18079	82.0
289.41788	0.4
290.18417	8.5
307.19128	100.0
308.19464	9.6
325.20267	0.9
445.20883	0.4
525.27374	0.6
543.27856	4.1
544.28394	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	543.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30476	1.3
53.97116	1.5
55.01759	2.7
57.03312	2.6
59.01252	23.2
65.03833	45.5
69.23546	8.5
69.23970	7.3
71.01258	16.3
71.04899	20.9
73.02837	2.5
78.95780	6.3
81.06395	1.3
83.01267	1.7
83.04900	2.1
85.02827	4.4
89.02318	10.4
93.03376	1.6
97.06465	31.5
100.92175	1.3
101.02331	13.7
113.02322	6.0
119.03374	2.8
119.08550	6.4
121.06483	60.5
122.06898	1.4
123.08081	2.1
125.09608	30.0
126.09911	1.5
137.09598	2.1
143.70731	1.4
152.99513	3.8
153.19485	1.2
161.04453	5.8
174.01631	1.7
179.05548	1.9
185.11758	61.3
186.12033	2.1
209.11786	25.5
211.13345	21.0
217.12218	1.7
235.13362	67.3
236.13759	2.9
253.09264	42.5
289.18057	22.2
307.19147	100.0
308.19354	9.8
471.22449	10.1
472.22534	1.6
517.15265	1.6
525.26935	2.8
543.17896	5.7
543.26740	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	543.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.8
57.03330	3.6
59.01253	22.3
65.03835	44.6
69.49589	5.5
71.01255	14.4
71.04892	18.0
72.99171	1.0
73.02805	2.5
78.95780	11.2
80.02521	0.9
83.01251	1.4
83.04877	1.6
85.02808	4.1
87.00735	1.7
89.02316	11.2
93.03329	0.8
94.45968	0.6
95.01259	1.4
95.04899	0.8
96.96837	3.7
97.02896	0.8
97.06467	33.4
98.19782	0.8
101.02329	13.1
109.06461	0.7
113.02342	6.4
115.18789	0.6
117.41309	0.6
119.03368	3.0
119.08567	7.7
121.06483	61.4
122.06808	1.7
123.08030	2.2
125.02323	0.7
125.09614	33.8
126.09930	0.8
137.09586	1.2
141.12709	1.6
143.03394	1.0
152.99504	2.9
158.92445	1.6
159.04225	0.7
161.04482	5.2
169.08505	0.7
173.13255	1.7
174.01651	1.0
179.05484	1.7
184.00829	0.7
185.11757	67.7
186.12097	2.3
189.50383	0.6
202.49727	0.6
209.11768	26.3
210.12186	1.8
211.13341	22.1
211.15388	0.8
212.13747	1.5
217.12300	1.7
233.15410	1.3
235.08270	1.9
235.13353	69.5
236.13658	3.6
251.39345	0.7
253.09273	43.6
254.09613	2.2
271.16934	1.6
289.18085	23.7
290.18353	1.1
307.19138	100.0
308.19464	8.4
319.19052	1.2
355.92542	0.7
393.06839	0.6
464.24057	0.7
471.22327	11.2
472.22754	1.2
483.29550	0.9
525.26935	2.8
543.18030	2.3
543.27960	1.3
544.18866	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.3
57.03326	2.3
59.00954	0.9
59.01253	17.0
67.18594	0.5
68.99687	0.8
69.03313	0.6
69.30418	5.2
69.30826	0.8
71.01256	21.6
72.99183	5.7
73.02814	2.2
75.00749	20.5
78.95777	10.2
83.01246	1.2
83.04927	0.7
85.02827	26.3
87.00750	7.2
89.02312	5.7
95.01261	5.7
96.95889	2.0
97.06476	0.7
99.00174	0.8
99.00761	9.9
99.04387	0.8
101.02305	1.4
103.00252	3.4
109.06472	1.4
109.91816	0.5
111.00716	0.8
112.07601	0.6
113.02333	31.5
113.05936	0.5
115.00271	2.5
117.01814	3.1
122.98425	1.8
129.01799	1.8
131.03413	0.8
135.08072	0.9
137.09596	0.8
149.22821	0.6
152.99492	3.4
157.01324	0.8
168.04172	1.3
175.02417	5.0
175.07536	0.8
177.12749	0.6
179.14343	0.9
193.03452	1.1
195.13876	5.4
204.33528	0.5
205.07141	1.5
205.12329	0.9
209.11765	1.0
210.48982	0.7
223.08328	1.0
223.13437	3.2
224.06905	2.9
231.05112	1.2
249.06120	7.0
253.09219	0.7
263.19913	0.8
267.07220	8.1
275.20099	2.4
287.16553	4.2
293.21219	28.0
294.21490	1.9
307.19086	1.9
308.47791	0.6
319.19162	13.2
366.39462	0.6
474.21136	0.7
483.25864	0.7
525.27264	2.7
543.28107	100.0
544.28131	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	541.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69098	0.4
59.01251	3.6
60.99177	13.9
69.49437	2.6
69.49843	0.6
69.98946	0.3
71.01250	0.5
71.16160	0.4
72.99171	2.5
75.00739	3.2
78.95774	2.2
80.96401	1.2
81.03340	0.5
83.04887	1.5
85.02817	3.6
87.00748	1.4
88.00281	8.2
88.98677	100.0
89.02313	17.7
89.99055	0.9
90.01830	2.7
90.02609	0.4
90.16084	0.4
96.95868	0.6
103.95922	0.3
104.02676	0.5
109.02901	0.4
147.02878	0.6
190.80931	0.4
191.01917	1.7
209.03027	0.6
225.16005	0.5
308.08997	0.5
333.23026	0.4
357.08780	0.5
447.29840	1.6
449.31235	3.0
451.33014	1.2
465.30774	1.9
481.34097	1.7
541.16400	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	543.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78669	1.1
51.32219	1.1
57.03315	2.8
57.49478	1.0
59.01257	15.7
68.99707	1.8
69.30772	12.8
71.01254	15.0
72.99200	7.4
73.02818	1.7
73.04475	1.1
75.00747	20.2
78.95782	4.9
82.81091	1.0
83.01298	1.1
85.02829	18.6
87.00742	5.4
89.02312	3.9
93.03358	1.1
95.01271	5.1
96.95909	2.2
99.00753	10.8
103.00229	3.1
113.02343	28.6
115.00249	1.2
117.01802	1.2
129.01828	1.5
142.28629	1.0
152.99512	1.4
161.82375	1.1
175.02380	5.3
177.12726	1.1
195.13826	6.5
223.13339	4.9
231.05067	1.3
233.50665	1.1
249.06137	17.4
267.07166	3.6
275.20215	3.1
293.21207	39.1
294.21524	3.6
332.50323	1.2
333.65680	1.2
377.30072	1.1
435.63089	1.2
483.26172	1.2
507.33270	1.5
525.27032	4.0
543.28107	100.0
544.28448	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	541.3016
Annotation	Tricalysioside R
Peak:m/z	Relative Intensity
55.01762	1.1
56.02125	0.3
57.03319	1.7
58.00467	1.3
59.01250	100.0
60.01585	1.0
60.51966	0.3
61.98698	0.4
63.18542	0.2
69.03324	1.0
69.75410	0.3
71.01253	42.8
72.01598	0.7
72.99171	1.6
73.02818	24.4
74.03136	0.3
75.00776	0.4
78.95773	0.7
83.01262	6.9
83.01760	0.4
83.04915	0.4
84.02058	0.4
85.02824	10.9
87.00752	2.0
89.02316	20.2
90.02672	0.3
93.03370	0.4
95.00693	0.4
95.01253	3.7
96.95887	0.7
97.02837	0.5
97.06388	0.3
98.20161	1.8
99.00752	1.7
99.04378	0.4
99.30540	0.3
101.02323	26.2
102.02621	0.5
113.02330	33.2
114.02655	0.9
119.03400	7.4
125.02316	1.1
131.03384	2.3
137.09613	0.7
143.03391	3.4
149.04422	2.0
155.03325	0.4
161.03246	0.6
161.04465	9.2
163.11105	0.9
171.10109	0.3
173.15550	0.3
173.68584	0.3
179.05533	3.6
181.46164	0.3
194.91618	0.5
196.91251	1.1
231.17470	0.5
267.44894	0.3
319.22427	1.1
337.23434	0.3
357.68887	0.3
481.28024	6.3
482.27609	0.9
499.29190	4.6
500.28796	0.8
541.26611	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	21.8
70.93227	0.8
70.93549	1.1
74.95522	0.6
78.17786	0.6
78.95782	19.3
90.21120	0.6
107.97833	0.6
114.55005	0.6
125.08388	0.7
142.20760	0.6
152.99478	2.7
168.04221	3.3
206.61897	0.7
224.06883	7.7
241.21703	100.0
242.07991	1.4
242.22075	5.0
300.39484	0.7
349.61642	0.7
466.29388	55.4
467.29681	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	541.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	16.1
67.32444	1.6
71.01247	10.1
78.95783	9.2
85.02821	2.6
89.02319	10.3
93.03358	1.9
96.96869	2.1
98.16677	1.8
99.04353	1.6
100.74196	1.7
101.02309	5.8
103.67824	1.7
113.02309	3.7
114.59933	1.8
117.00308	2.3
119.03369	4.6
119.04933	2.6
121.02846	20.7
128.03473	2.2
130.04135	6.4
130.08611	2.8
131.04926	40.7
132.05257	2.4
141.01544	4.5
149.05943	9.1
152.99504	5.8
153.01556	1.8
161.04437	2.4
179.05453	3.9
209.57816	1.6
211.13290	3.1
233.09854	2.1
259.07590	3.0
260.08405	3.3
261.09152	11.2
262.09814	3.7
269.11911	2.7
277.08456	2.1
279.10272	100.0
280.10648	8.3
285.08884	2.4
294.07037	1.9
303.09912	2.2
325.16586	1.7
328.05899	1.9
328.21899	2.2
343.09357	2.0
343.21042	2.1
361.10452	8.9
398.21872	2.0
541.25604	2.2
542.21722	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	540.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	1.6
59.01244	1.6
67.10605	0.9
69.03329	0.9
69.95953	1.6
69.96349	1.7
71.04885	1.1
78.95780	53.9
81.03311	0.8
83.04911	3.5
84.02039	0.9
85.02836	1.3
87.04392	3.0
87.48009	0.9
95.04927	3.6
96.96837	3.0
97.02839	0.9
97.06469	2.1
99.04369	0.8
105.21880	0.7
106.04118	1.7
109.06499	1.2
123.08062	1.6
125.09606	1.7
127.11156	1.6
133.04941	0.9
140.01103	11.6
152.99472	5.3
153.09113	1.3
163.11205	1.6
171.00557	1.9
171.10194	21.6
172.10620	1.3
185.11636	1.0
191.14268	1.0
193.15915	1.1
196.03743	8.7
201.11293	4.5
205.15877	1.1
209.11749	2.1
211.13394	1.3
214.04842	3.6
223.13556	0.8
229.14330	1.3
231.13907	0.7
237.14957	11.4
244.61864	0.8
245.19032	1.2
249.14951	3.2
255.15831	1.7
263.17017	0.7
267.15991	2.1
285.17078	1.6
289.18173	1.4
307.19275	1.2
325.20215	4.1
343.21231	22.7
344.21628	2.4
496.31769	0.8
540.25806	100.0
541.17902	0.9
541.25909	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	540.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59341	0.9
57.03310	1.5
58.00489	0.8
59.01239	2.3
61.54910	0.8
68.25980	0.7
69.03328	2.8
69.50362	2.1
69.50761	6.3
71.01241	1.6
71.04884	2.7
77.82614	0.9
78.95777	54.4
81.03342	1.5
83.04897	8.3
85.02794	1.0
87.00761	1.1
87.04391	3.2
93.03297	1.0
95.04908	5.5
96.95863	0.9
96.96838	7.2
97.06442	4.1
106.04128	4.5
109.06494	1.9
122.34924	0.9
125.09643	2.1
127.11174	1.4
135.08055	10.8
139.60547	0.9
140.01086	14.3
152.99492	7.8
153.09131	2.7
171.10176	39.0
172.10493	1.4
181.12328	1.2
193.15945	1.3
196.03712	12.2
201.11227	5.6
207.10210	3.1
209.11830	2.2
209.15285	1.7
214.04819	4.3
219.14003	1.0
221.15468	1.2
225.11259	4.1
229.14340	1.4
231.13922	1.6
237.14952	10.2
241.01151	1.6
247.14517	1.2
249.14998	6.1
255.15942	4.0
259.02267	1.8
267.15933	1.8
285.17102	3.7
289.18085	2.0
307.19110	1.0
325.20370	2.7
343.21240	33.0
344.21640	2.9
540.25781	100.0
541.17065	4.6
541.26099	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	539.278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31737	0.8
51.38988	0.8
52.79900	0.7
65.52378	0.7
70.45246	3.3
73.01956	0.7
78.95777	34.7
96.69202	0.9
96.96858	4.2
131.24539	0.8
150.97932	1.2
152.99501	100.0
153.99815	1.3
163.12346	0.8
171.00537	1.9
206.00662	0.9
217.26387	0.8
235.94070	0.9
269.71222	0.8
271.29788	0.8
279.23328	10.3
281.24765	1.0
281.58145	1.1
304.31766	0.8
433.23593	2.3
457.19299	0.9
539.27612	4.4
544.44745	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41106	0.3
57.03301	0.4
59.01251	11.2
64.70303	0.4
70.00977	1.5
71.01253	3.4
73.02817	0.8
75.00733	0.6
78.95768	0.7
80.96390	0.8
83.01284	0.4
85.02828	2.2
85.64155	0.4
88.98661	0.4
89.02319	2.3
93.03306	0.7
96.95875	0.9
101.02310	2.7
105.61670	0.4
111.00770	0.5
113.02324	1.5
119.03407	0.7
127.09460	0.4
128.03389	0.8
133.04903	0.5
143.03319	0.4
143.04530	0.8
151.21388	0.4
161.04460	1.0
167.10640	0.3
175.02397	0.6
183.13832	5.3
191.01917	0.6
193.12297	2.1
211.13344	100.0
212.13683	6.5
215.07066	0.4
216.07706	0.4
222.55132	0.4
225.81963	0.4
235.08298	0.7
253.09262	11.2
254.09775	0.6
272.08847	0.7
301.14545	2.0
302.14841	2.7
303.15042	3.6
335.17554	0.4
419.05161	0.4
447.16763	0.6
447.22437	8.7
448.22769	1.4
469.35196	0.4
479.31680	0.4
539.21832	1.1
555.14740	0.4
562.60901	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2629
Annotation	CHEBI:68153
Peak:m/z	Relative Intensity
57.03328	1.4
58.78262	0.7
59.01255	6.1
60.08910	0.7
61.98719	0.9
71.01218	1.3
71.57519	1.2
73.02843	0.7
74.01056	0.6
78.95776	23.0
78.96207	1.4
83.04884	0.9
96.96857	2.9
97.06467	1.2
99.08043	3.0
110.48126	0.8
113.09613	3.2
113.89976	0.8
116.44182	0.7
129.09088	5.6
140.89186	0.6
151.11171	2.0
152.99489	21.5
153.12796	1.0
163.19621	0.7
167.10751	1.0
167.14340	1.3
169.12245	4.6
171.00597	3.2
171.10194	2.2
181.12279	5.9
183.13869	2.6
188.47040	0.8
193.12291	2.3
197.11775	14.4
198.12054	1.0
199.13342	6.1
211.13345	19.6
217.00252	1.1
227.03180	2.9
245.04367	4.1
265.21686	0.9
275.20111	2.2
293.21204	15.7
294.21500	1.2
311.22272	100.0
312.22717	7.4
357.07462	0.8
539.26172	67.7
540.26642	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	539.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.1
59.01259	5.1
61.55002	0.5
61.98677	1.7
69.03324	0.8
69.89175	3.3
71.01236	1.1
75.00701	0.7
78.95776	34.3
80.88146	0.5
83.04906	0.9
83.66724	0.5
93.03317	0.6
96.95907	0.9
96.96803	2.7
98.20518	1.1
99.08018	1.7
111.08007	0.8
113.09608	2.2
128.03354	0.8
129.09077	3.7
139.11128	1.1
150.97903	0.7
151.11159	1.1
152.99484	50.1
153.99789	0.7
165.12790	0.7
167.10641	0.9
169.12274	2.7
171.00592	3.4
171.07697	1.1
171.10120	2.7
181.12270	3.0
183.13786	1.5
184.62961	0.6
193.12256	1.6
197.11775	10.3
197.81618	0.5
199.13243	4.3
211.13339	13.8
212.13731	0.8
213.45483	0.5
217.00130	0.6
227.03221	4.8
237.79779	0.5
245.04260	1.9
261.20963	0.6
265.21558	0.7
275.20258	1.1
293.21210	10.9
294.21457	0.8
308.10101	0.5
311.22244	45.1
311.62277	0.6
312.22601	4.9
374.99304	1.0
447.21606	2.3
465.22629	0.6
503.33643	2.5
504.34131	0.7
539.26227	100.0
540.26587	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2624
Annotation	CHEBI:68153
Peak:m/z	Relative Intensity
57.03313	0.8
59.01251	5.2
59.13118	0.5
61.98692	2.2
71.01239	1.2
71.57803	0.7
73.02773	0.6
75.00746	0.5
78.95777	36.8
83.04885	0.9
85.02816	0.9
89.02299	0.6
93.03330	0.6
96.95875	0.7
96.96828	2.8
97.06468	0.5
99.08017	2.0
113.09615	2.4
118.11211	0.5
121.55135	0.5
125.09686	0.6
126.99450	0.8
127.07543	0.8
128.03419	1.1
128.99161	0.6
129.09125	3.1
139.11163	1.4
150.97986	0.7
151.11166	1.4
152.99490	46.8
153.12732	1.3
153.99854	0.8
167.14233	0.7
169.12260	3.8
171.00598	3.7
171.10155	1.8
181.12247	3.2
183.13797	1.7
193.12315	1.8
197.11768	11.1
199.13341	5.7
201.98189	0.5
211.13364	14.6
217.00204	0.8
227.03204	4.9
245.04301	2.2
265.21744	0.7
275.20215	1.1
293.21222	10.6
294.21686	1.4
311.22275	45.2
312.22565	4.2
393.94534	0.6
409.18375	0.5
447.21689	2.5
465.22296	0.8
503.33853	2.2
539.26257	100.0
540.26605	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	539.19
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	2.5
59.01257	7.1
61.98685	2.7
64.75493	1.2
69.03326	3.1
71.01244	3.8
71.57358	2.2
75.00739	1.6
78.95779	84.4
83.04897	2.4
88.56586	1.3
89.02285	1.6
95.04924	1.6
96.95898	1.9
96.96857	13.1
125.09623	1.5
140.01123	2.5
152.99493	100.0
153.99867	1.6
167.10666	4.5
171.00586	4.4
179.10692	1.6
179.14407	6.6
195.13843	14.5
201.11198	1.5
205.12245	10.4
211.13383	5.1
223.00089	10.3
223.13348	61.5
224.13620	3.2
227.12634	1.3
241.01178	27.3
259.02206	2.5
305.21844	1.4
315.04886	17.1
330.17548	1.5
343.21283	4.1
521.21808	2.0
538.64935	1.4
539.18890	98.2
540.18756	10.0
540.25897	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	539.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03415	3.1
55.99661	2.8
56.59634	2.8
59.01245	56.6
59.63496	2.5
69.52264	22.7
71.01252	51.4
73.02818	4.7
78.95781	14.0
85.02818	10.6
87.00744	12.1
89.02314	78.1
89.02829	5.7
95.01260	3.1
95.77421	3.0
101.02334	42.5
113.02329	31.0
114.74001	2.8
119.03378	13.6
131.03329	2.9
142.49138	2.7
142.69295	2.4
143.03392	8.4
158.92468	4.4
161.04424	19.4
179.04077	5.1
179.05534	64.8
180.05936	4.0
221.06606	45.4
256.49533	2.7
281.08728	3.9
323.09930	6.4
328.04654	3.2
341.10974	5.5
377.08508	22.9
383.12012	4.2
503.16190	100.0
504.16342	8.8
539.06409	4.4
539.13885	61.4
540.13977	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	538.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69720	0.8
59.01254	23.4
62.18583	0.8
62.23304	0.8
69.60831	3.1
69.61257	3.3
73.04137	0.8
78.95777	6.8
152.99504	3.1
167.07414	0.8
168.04218	1.9
171.10146	1.0
176.23857	0.8
191.99437	0.8
217.00240	1.8
221.19231	1.3
239.20131	100.0
240.20500	4.9
242.07974	2.8
464.27811	25.1
465.28375	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	539.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82228	0.5
59.01240	3.5
69.23882	3.2
69.24310	2.2
71.01251	3.0
72.99195	0.8
78.95780	59.3
85.02801	0.6
89.02324	2.9
96.96846	100.0
101.02346	1.9
113.02335	1.0
117.48042	0.5
117.58544	0.5
119.03374	0.9
120.02946	0.5
150.03122	0.9
152.99464	1.4
165.05444	1.3
179.05504	0.7
181.33154	0.5
218.00911	0.6
356.26981	0.5
441.15427	0.6
491.19415	1.0
539.13385	5.9
539.22070	0.7
539.23676	0.6
540.25830	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.315
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45710	0.8
59.01252	29.9
60.76407	0.7
63.71867	0.8
66.35996	0.8
78.95777	19.1
96.96816	0.8
118.41573	0.7
130.84135	0.8
150.19960	0.8
152.99503	2.8
168.04231	3.5
173.83405	0.7
184.05968	0.8
211.96062	0.9
224.06889	6.6
239.20131	100.0
240.20435	8.0
242.07890	1.8
295.92279	1.0
373.17386	0.9
464.27795	50.9
465.28085	5.0
553.06122	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94841	0.6
59.01253	28.8
65.40983	0.5
71.06229	1.5
78.95314	1.2
78.95777	23.5
79.09587	0.7
122.98446	0.8
152.99472	3.7
168.04227	3.1
209.48056	0.6
224.06911	9.9
239.20126	100.0
240.20438	7.1
242.07849	2.5
253.21706	6.7
464.27802	62.6
465.28159	7.4
478.29361	1.6
562.55341	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51439	0.6
58.95071	0.4
59.01254	100.0
60.01597	1.2
61.01657	0.4
61.98705	1.2
62.00460	0.4
70.00710	1.2
70.01117	1.0
76.67615	0.5
78.95776	7.3
85.90081	0.4
96.96823	0.5
114.98317	0.4
121.02910	0.7
122.01366	0.4
152.99487	2.9
253.11139	0.5
334.21729	1.0
441.33786	0.7
450.23709	0.5
459.34723	2.1
477.35959	4.0
478.36508	0.6
537.30609	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	537.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33059	1.6
55.10984	1.6
55.62539	1.5
61.93377	1.7
71.04893	3.9
71.57561	2.8
71.57961	1.7
78.95782	2.8
88.78728	1.8
97.02840	2.9
97.06478	2.5
99.00759	38.7
123.08001	2.0
125.09617	12.7
126.99464	3.2
127.11229	1.8
127.18835	1.8
133.15187	1.7
153.12785	2.6
157.17990	1.6
163.11226	7.9
163.99875	1.7
167.70601	1.7
171.10159	4.1
175.08807	1.6
181.12267	22.9
182.12717	1.8
197.11787	7.5
199.13274	4.4
207.10164	19.5
225.11269	51.0
226.11655	2.7
243.12349	37.6
244.12717	2.4
293.21240	7.2
311.22275	100.0
312.22684	8.8
453.60684	2.1
519.33240	9.5
537.34357	43.1
538.34399	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	537.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	1.1
57.74567	0.5
59.01239	2.0
67.38851	0.5
68.02419	3.3
70.15487	2.5
70.20657	0.5
71.04879	3.6
78.95771	1.4
83.04916	0.8
85.02814	0.6
95.04889	0.8
97.02824	2.7
97.06469	2.0
98.19883	0.8
99.00753	17.9
109.06473	1.4
111.08046	0.6
123.08018	1.4
125.09607	6.6
127.11167	1.2
129.09117	1.0
134.64311	0.5
136.05231	0.8
142.02650	0.9
151.35873	0.6
153.12778	2.6
163.11206	7.5
167.10710	0.8
169.12175	1.5
171.10149	1.2
181.12256	25.6
182.12660	1.1
197.11729	2.2
199.13347	5.9
201.11359	1.0
207.08328	1.2
207.10214	19.8
208.10648	1.4
211.13344	0.9
225.11263	30.7
226.11584	2.3
228.13707	1.0
241.80116	0.6
243.12352	36.1
244.12706	2.2
249.22273	0.9
265.21692	1.0
267.23416	1.4
283.22882	0.9
292.08597	0.8
293.21210	8.0
294.21811	0.7
303.16354	0.6
311.22256	100.0
312.22659	9.6
412.00058	0.6
519.33051	3.8
537.34290	21.7
538.34497	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	537.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41044	0.7
59.01250	100.0
61.98719	0.6
67.11963	0.5
70.87177	1.8
86.14365	0.6
97.06467	0.7
109.68053	0.7
111.08047	0.9
125.09604	1.1
126.06142	0.8
171.10190	15.2
172.10542	0.8
185.11807	0.7
209.11815	2.5
211.13394	2.7
231.13762	1.0
233.15544	2.2
249.14861	4.2
250.15254	1.0
263.13934	0.7
273.13065	0.9
297.15363	0.9
301.12436	2.2
309.20743	1.1
309.73315	0.6
316.14685	6.4
364.57925	0.7
385.23911	1.6
392.41956	0.7
403.25055	1.6
459.27521	13.7
460.28094	1.5
477.28564	10.5
478.28781	0.8
522.19824	0.7
537.26318	0.6
537.34216	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29719	0.8
58.02834	5.6
59.01274	1.8
60.48281	1.1
70.02846	33.5
70.67787	3.1
71.01255	2.1
71.04889	19.8
72.00778	2.1
87.05502	5.9
92.23326	1.0
95.16179	0.9
97.03918	1.9
98.09306	1.0
99.04366	4.7
115.05018	1.4
116.07048	2.7
128.07068	25.6
129.05466	1.4
130.03217	27.5
132.26891	0.9
146.08127	74.9
147.05876	3.4
147.08514	2.6
148.47832	1.0
156.70752	1.2
199.10854	4.8
203.04761	1.0
211.08960	1.2
217.11902	16.2
229.10130	2.3
259.11234	16.5
276.23160	1.9
277.12250	100.0
277.21692	65.4
278.12646	5.2
278.22101	5.8
316.83783	0.9
326.38083	1.0
336.23630	3.8
347.26990	4.0
407.27560	3.2
537.33209	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.5
62.71098	0.4
69.03919	0.3
78.95779	38.5
87.68489	0.4
87.69065	0.4
96.95898	1.2
96.96849	4.3
99.88833	0.3
112.29708	0.4
150.97968	1.1
152.99498	100.0
153.99820	0.9
162.72713	0.5
171.00568	1.3
203.01134	0.5
212.79935	0.4
277.21817	3.1
278.22104	0.4
279.23355	1.6
297.04071	0.4
360.96918	0.4
392.27087	0.4
421.92606	0.4
431.21790	2.5
465.53687	0.5
537.27283	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	537.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19509	0.2
52.09234	0.2
58.45933	0.3
59.01247	0.5
61.98693	0.6
71.49828	0.4
71.61802	0.3
76.82365	0.3
78.95776	35.7
81.90668	0.3
96.96838	3.9
123.04430	0.4
124.07951	0.2
125.09627	0.3
131.67128	0.3
149.34964	0.3
150.97879	1.4
152.99490	100.0
153.99861	1.5
165.05702	0.3
171.00568	1.4
183.00484	0.3
203.01129	0.5
230.26822	0.3
231.61983	0.3
241.21617	0.6
255.23270	1.3
277.21713	8.0
278.22025	0.6
279.23328	1.1
316.04813	0.3
355.38919	0.3
431.21994	2.2
468.97446	0.3
537.26331	3.2
557.22736	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2471
Annotation	Kenusanone C
Peak:m/z	Relative Intensity
57.03315	2.4
59.01262	2.3
63.88273	1.2
69.61034	3.3
69.61454	6.6
71.04897	12.6
75.00748	2.9
78.95778	28.6
83.84292	1.6
96.96825	2.3
97.06463	4.2
107.04812	1.2
117.46969	1.2
121.10118	6.0
121.73363	1.4
123.07987	1.7
125.07806	1.5
125.09633	8.1
135.07922	1.5
137.09610	16.0
141.44212	1.2
147.07990	1.5
152.99498	33.9
171.00539	3.9
171.10187	26.2
185.11768	8.2
197.11771	2.3
211.84367	1.2
223.17143	2.0
227.03236	2.0
237.14874	2.5
240.42815	1.7
245.04291	3.8
251.16533	27.4
252.16844	2.4
273.18689	1.9
291.19669	46.6
292.20081	4.0
307.95291	1.3
309.20709	100.0
310.20953	8.4
461.19083	1.6
472.67874	1.3
505.18018	2.0
537.24719	98.4
538.25018	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	537.247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	2.9
69.03338	1.4
69.81382	4.9
71.04892	1.8
72.78164	0.7
78.95778	32.3
96.96827	2.9
98.19845	0.8
150.97966	1.0
152.99493	41.3
153.99809	0.9
171.00565	3.7
185.04863	0.8
193.58002	0.9
195.13799	5.8
207.13824	3.2
207.17442	2.9
221.15373	3.0
223.16954	14.1
227.03232	3.3
233.15468	8.8
235.17000	1.5
245.04225	2.1
247.20769	0.9
251.16508	38.4
252.16885	3.2
291.19675	4.1
309.20721	41.5
310.21051	3.9
445.20007	2.1
471.12131	1.0
537.24689	100.0
538.25061	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	537.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	1.2
57.28782	0.8
59.01249	6.6
64.92436	0.7
67.97398	0.8
69.03316	2.8
69.53598	6.7
70.27510	0.8
71.01245	1.1
71.04897	2.9
78.95778	29.3
83.04904	2.3
85.02826	1.1
85.06496	1.0
87.04408	1.5
96.96826	2.5
97.06439	1.0
98.19748	0.7
99.04395	1.4
102.74059	0.7
109.06461	1.0
122.90597	0.8
146.78108	0.7
150.99832	0.7
152.99489	28.4
171.00504	4.5
171.10275	0.9
181.12175	1.4
187.55388	0.8
195.13821	13.2
196.14125	0.9
205.15819	1.2
207.10219	1.1
207.13850	3.8
207.17448	6.1
209.15298	1.0
221.15424	5.1
223.16986	27.0
224.17343	2.5
225.11296	1.4
227.03186	1.3
233.15419	14.8
234.15805	0.9
234.41946	0.8
235.17015	3.1
243.12355	3.3
245.04297	5.1
249.54056	0.8
251.16524	69.4
252.16899	5.5
273.18570	1.1
291.19653	11.4
292.19827	1.0
292.73230	0.8
309.20721	100.0
310.21149	7.9
504.25308	0.8
537.24670	93.7
538.24994	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	537.2472
Annotation	Kenusanone C
Peak:m/z	Relative Intensity
59.01243	2.6
69.41124	8.9
69.41544	5.0
71.04884	5.7
75.09590	1.5
78.95776	36.1
96.96842	3.6
97.06477	2.3
97.87981	1.8
98.19742	3.2
121.06495	1.7
152.99504	44.9
156.88359	2.0
157.84982	1.5
171.00552	3.6
195.13812	10.5
201.69415	1.5
207.13799	2.4
207.17461	3.7
211.13318	6.5
215.14203	1.6
221.15422	9.4
223.16994	16.4
227.03145	2.1
233.15425	12.9
245.04187	5.2
251.13846	2.8
251.16512	42.8
252.16890	4.6
254.08531	1.4
273.18674	3.2
291.19681	20.3
299.24258	1.6
309.20712	77.4
310.21167	4.2
372.50388	1.6
526.57257	1.7
537.24689	100.0
538.24969	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	537.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.9
57.03319	2.6
58.00471	1.9
58.20567	0.4
59.01250	100.0
60.01590	1.3
69.03335	0.7
69.60831	0.4
69.90768	2.4
71.01251	38.9
72.01593	0.6
72.99177	2.6
73.02821	13.0
74.03153	0.3
75.00761	0.8
78.95770	0.9
82.14035	0.4
83.01257	5.2
84.02058	0.5
85.02823	15.0
85.99982	0.7
87.00755	3.4
89.02319	20.1
95.01264	4.2
97.02845	1.1
99.00770	2.8
101.02323	23.7
106.98617	0.4
107.04916	1.7
111.00743	0.7
113.02331	17.4
114.02694	0.6
119.03392	6.1
121.20514	0.5
124.01557	0.9
125.02328	1.1
131.08565	0.5
135.04413	37.2
136.04793	1.6
137.05971	0.5
137.97978	0.4
143.03404	1.5
147.04482	0.9
157.06499	0.6
159.04414	1.6
160.05200	1.3
161.04482	1.1
171.08035	0.4
173.05977	1.2
174.06783	7.7
175.07564	3.1
176.08228	0.5
177.09087	0.9
188.08415	1.8
189.09135	39.4
190.09453	2.1
191.59039	0.5
213.09113	1.3
244.14334	0.4
256.14661	12.0
257.15054	1.3
258.16211	5.5
259.16833	0.6
271.17026	6.0
272.17188	0.4
274.15729	27.7
275.16132	2.8
286.15805	0.6
289.18085	7.3
290.18457	0.7
294.89108	0.5
309.20593	0.5
360.61926	0.4
370.41156	0.4
418.19925	12.7
419.20282	1.3
433.22272	51.2
434.22614	6.4
436.20990	21.6
437.21307	2.4
451.23343	62.8
452.23740	7.9
477.21402	1.2
478.21945	6.3
493.24414	23.8
494.24680	3.3
519.22241	7.9
520.22729	1.4
537.23389	92.1
538.23718	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	537.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	55.0
71.56723	8.0
72.89145	3.4
78.95781	5.6
81.01569	3.6
85.89835	3.6
96.95869	5.0
107.04900	22.4
131.04926	10.9
134.03644	17.5
135.04417	100.0
149.06000	30.6
165.05482	72.8
239.10728	3.7
267.10272	65.1
268.10617	6.7
315.12402	44.2
316.12872	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	537.198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	24.7
69.67915	9.8
78.95789	2.0
81.34916	1.4
85.82510	1.3
95.15941	1.6
107.04915	3.7
111.24376	1.5
114.02515	1.5
123.04390	1.5
123.08852	1.6
130.03996	1.5
131.04904	6.0
134.03629	21.9
135.04430	15.8
149.05983	4.6
158.53220	1.2
165.05467	6.4
190.23125	1.7
223.51741	1.6
239.10695	3.1
240.58417	1.8
267.10272	100.0
268.10587	7.9
279.22165	1.4
315.12381	11.5
316.12476	1.8
511.53598	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	537.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.1
58.00451	1.9
59.01249	44.8
70.91419	1.9
71.01253	36.9
72.99178	2.5
73.02818	2.3
75.00732	1.0
77.84827	0.7
80.96414	0.7
83.01257	1.5
83.71447	0.6
85.02826	10.1
87.00737	3.7
89.02312	50.0
90.02628	0.8
93.03331	2.7
95.01256	2.2
96.95899	1.4
99.00742	1.0
101.02316	21.0
111.00751	0.9
113.02332	15.3
117.03376	1.2
119.03391	20.6
120.20512	0.7
121.02859	4.8
122.03632	14.6
123.00814	0.9
124.01550	0.8
124.16853	0.8
125.02345	1.5
129.01788	1.8
131.03383	2.5
133.02864	1.3
135.04387	2.1
136.01590	1.0
136.45216	0.9
137.02316	1.5
143.03419	4.4
145.02844	2.1
146.03627	8.9
149.02342	31.0
149.04410	2.3
150.03127	98.4
151.03505	4.2
161.02374	1.8
161.04466	5.9
161.05910	1.6
162.03125	13.1
163.03912	0.8
164.04692	9.8
165.05479	100.0
166.05830	4.8
177.05482	10.3
179.03218	1.0
179.05521	14.0
179.07079	7.4
180.04176	6.6
195.06557	66.4
196.06847	4.3
265.05240	1.0
312.09949	2.7
312.48193	0.8
327.12357	18.1
328.12726	2.1
375.14426	1.3
435.81958	0.8
444.63284	1.0
465.74026	0.8
488.39209	0.8
489.17755	2.4
537.19855	6.9
538.20624	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	536.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.5
59.01255	15.4
61.98690	1.1
63.83300	0.4
66.34383	0.4
71.58389	0.6
78.95780	74.9
83.04889	0.5
96.96856	5.7
121.02822	0.6
144.86227	0.5
150.97931	2.1
152.99496	100.0
153.99869	1.6
171.00546	2.6
195.13828	0.7
209.11784	1.4
210.74301	0.5
277.21548	0.6
291.19479	2.3
295.22690	3.4
309.20703	2.1
311.22250	0.9
312.25467	0.7
319.77139	0.5
449.23105	38.8
450.23569	3.5
457.93472	0.6
476.35028	0.7
536.18030	1.0
536.26709	4.2
537.24530	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	537.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45275	0.7
55.01754	1.3
57.03319	2.4
58.00464	2.5
59.01249	46.5
69.27155	9.3
71.01254	49.7
72.99171	3.3
73.02824	5.5
75.00729	0.9
83.01241	4.0
85.02821	15.7
87.00751	3.2
89.02319	46.6
90.02685	1.0
91.06030	0.8
93.03339	4.5
95.01274	3.9
99.00745	1.9
101.02324	24.5
102.02671	1.1
109.02824	1.1
113.02328	19.5
119.03383	19.6
121.02852	8.4
122.03629	13.8
128.03401	1.0
131.03375	2.1
133.02837	1.5
133.04964	1.5
136.01529	1.6
137.02345	1.4
143.03383	4.2
143.04504	2.0
149.02348	62.9
150.03143	82.6
151.03568	2.6
153.05466	0.8
159.02921	1.5
161.04477	13.0
162.03143	1.6
163.03915	1.3
164.04701	18.6
165.05493	75.5
166.05824	3.9
177.05484	1.2
179.05568	21.7
179.07048	3.7
180.04176	5.6
180.05582	0.8
195.06570	37.7
196.06961	2.3
209.03040	1.4
239.13765	0.7
283.09689	4.4
312.10007	15.6
313.10452	1.8
327.12360	100.0
328.12787	10.2
357.13449	1.7
375.14297	2.8
489.17709	9.5
490.17755	1.4
537.19849	24.1
538.20251	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	537.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15602	5.5
59.01250	91.2
60.00806	5.2
67.42223	5.4
69.95486	23.9
71.01254	77.7
72.99197	10.2
77.61219	5.9
78.95768	28.8
85.02827	19.6
87.00734	7.7
89.02325	100.0
96.95860	6.6
100.51614	5.2
101.02343	39.1
113.02372	26.9
113.59922	5.3
117.75631	6.0
119.03383	33.4
132.83525	6.5
136.50246	6.6
138.47646	6.1
143.03456	5.9
143.04504	11.2
145.02838	8.1
146.03641	51.0
147.04317	8.7
152.99504	8.0
161.02437	10.8
161.05995	11.4
162.03146	98.9
162.72258	6.1
163.03687	6.1
164.04700	32.7
177.05476	75.9
178.05833	5.8
179.05576	9.4
179.06984	53.8
195.06696	7.2
233.61761	5.5
537.24225	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	536.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	20.0
60.01585	1.3
61.58886	0.4
61.98697	4.6
71.15883	1.3
71.60864	0.4
78.95779	48.9
96.96847	6.7
117.13219	0.4
121.02843	0.7
150.97916	1.6
152.99492	100.0
153.99806	1.1
155.10564	0.5
171.00543	4.0
171.10185	0.8
195.13753	0.9
203.37776	0.4
204.47726	0.5
209.11717	1.0
277.21701	1.1
291.19443	1.1
295.22836	4.7
309.20877	1.2
389.13824	0.6
449.23071	23.1
450.23477	2.0
460.01663	0.5
476.34695	0.7
500.92673	0.5
536.25336	3.1
537.25305	1.8
541.12018	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03860	0.2
59.01247	4.1
69.75073	1.1
71.01260	1.2
72.99181	0.3
73.02837	1.4
73.03172	0.2
73.46999	0.2
74.02335	0.4
80.04929	13.3
80.96426	0.5
81.05266	0.3
83.01263	0.6
85.02836	0.6
86.02343	0.2
89.02290	0.4
89.92082	0.2
92.04955	0.3
94.06489	2.9
96.04424	0.2
99.00780	0.4
101.02326	1.8
102.02671	0.2
104.04942	5.1
106.02873	0.5
106.06507	5.9
107.03648	5.3
108.03715	0.2
108.04439	4.7
108.08056	1.4
113.02343	0.2
116.04946	0.3
118.06508	0.8
118.29805	0.2
120.04451	1.0
121.05215	0.9
122.06010	33.7
123.06316	1.2
124.07574	1.3
125.03491	0.3
128.03430	1.7
130.06519	2.1
131.03639	0.6
132.04448	1.7
133.02852	0.3
134.06017	17.2
135.06357	0.8
136.07590	4.3
137.07883	0.2
139.02663	1.8
143.03539	0.3
143.04515	1.6
144.04475	0.3
145.01370	0.7
145.05203	0.6
146.04524	0.2
146.04779	0.3
146.06023	4.5
147.03154	0.6
147.06401	0.2
148.03954	5.1
148.07594	1.0
149.04434	0.2
150.05505	1.5
152.07080	73.4
152.99483	0.2
153.04187	0.4
153.07446	2.7
157.71378	0.2
158.05998	0.7
159.03210	0.5
160.00624	0.7
160.03958	2.8
160.07590	1.4
161.04677	0.5
162.05531	1.0
164.07095	0.8
166.04988	0.6
166.08575	0.3
170.06036	0.2
172.04056	0.3
173.04778	1.6
174.05527	5.3
175.06126	0.3
178.02541	0.2
180.06596	11.1
181.07013	0.3
182.08408	0.2
183.09325	0.2
186.05553	2.0
187.06290	0.5
188.07104	30.7
189.07422	2.0
190.05029	0.8
195.09200	0.3
196.06322	0.6
197.07147	0.5
197.10760	0.6
199.12328	0.5
207.09212	0.2
208.09851	0.2
209.07260	0.4
209.10843	0.6
210.07890	2.0
211.08704	6.1
212.09253	0.5
213.10255	0.7
214.05104	0.5
215.11806	0.2
221.07234	0.4
221.10825	0.4
222.07642	0.3
223.08719	1.7
223.12302	1.5
224.09438	2.5
225.06810	0.4
225.10301	7.6
226.07564	0.2
226.10980	2.5
227.11844	8.4
228.12234	0.4
233.10789	0.3
234.07928	0.6
235.08760	1.6
236.05995	0.3
236.09586	1.1
237.06659	0.5
237.10240	2.2
238.07422	4.0
238.10989	0.5
239.08141	1.4
239.11786	2.6
240.12311	0.2
241.09766	0.6
245.12935	6.9
246.13220	0.6
247.08705	0.5
248.09509	1.1
249.06682	1.3
249.10312	2.2
250.07413	1.0
250.10864	0.5
251.08237	3.9
251.11903	4.2
252.09036	4.5
252.11893	0.4
253.09799	16.7
254.07755	1.1
254.10297	1.7
255.11340	0.3
257.12946	0.4
261.10312	0.5
262.07526	0.7
263.08255	1.6
263.11841	0.7
264.06125	0.3
264.08969	1.9
265.06625	0.4
265.09796	6.0
266.07523	0.3
266.10483	1.7
267.08420	0.4
267.11389	8.2
268.11771	0.7
269.09338	0.8
269.12979	0.7
271.14545	0.2
272.08801	1.5
276.09064	0.5
277.06784	0.3
277.09808	5.4
278.07233	0.4
278.10452	1.4
279.04620	0.3
279.07767	6.2
279.11371	3.8
280.08447	2.1
280.11456	0.3
281.09229	0.8
281.12674	0.4
285.12491	0.5
288.06604	0.5
289.09845	0.7
290.10648	0.3
291.07794	0.8
291.11063	0.3
292.08521	1.8
293.09293	4.9
294.06763	0.4
294.10095	5.2
294.13242	0.4
295.10867	49.0
296.11200	4.8
297.12393	0.6
305.09286	0.6
306.10062	0.5
307.10876	18.7
308.11264	1.9
309.08646	0.4
310.09485	0.3
311.06821	0.7
311.10355	0.4
313.11948	2.4
314.12305	0.2
321.08783	1.5
321.12256	0.4
322.09601	0.3
323.10336	4.0
324.10648	0.3
325.11899	1.3
331.13461	0.2
333.08905	0.4
338.08984	0.5
339.09912	2.9
339.13559	0.3
340.10474	0.4
341.11499	0.4
344.14069	0.4
345.14865	0.3
351.09790	0.9
355.12933	0.4
358.11282	0.2
362.18671	0.4
364.20538	0.5
368.13901	0.2
376.16681	0.4
384.17499	0.4
388.16504	0.3
389.17682	0.3
390.18182	0.6
392.19739	1.8
400.16702	0.3
404.16171	0.7
405.16833	0.3
412.17014	0.4
414.18417	0.4
416.15820	0.5
417.16931	0.5
418.17657	2.0
419.18338	0.6
430.17862	0.3
432.19482	3.7
433.19955	0.4
436.18646	0.8
440.16229	0.7
442.17737	0.8
458.17282	1.0
460.18768	100.0
461.19110	14.2
462.16556	0.5
463.17575	1.4
468.15201	0.3
476.18201	2.8
477.18674	0.4
486.16882	1.4
504.17767	92.4
505.18079	15.4
518.19470	0.4
536.20374	13.2
537.20349	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	536.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.5
59.01249	3.6
59.29609	0.5
61.98715	2.1
68.02416	1.4
68.99710	0.6
71.01263	1.1
71.56822	0.8
72.99195	0.7
73.02826	1.0
74.15585	0.5
74.70087	0.5
75.00730	0.6
77.28124	0.5
78.95777	6.8
80.04926	11.7
85.02850	1.8
87.86501	0.4
89.02348	1.0
94.06504	2.7
96.96870	1.5
101.02338	1.2
104.04941	4.9
106.06513	5.0
107.03643	4.3
108.04453	3.5
108.08089	1.1
111.00789	0.9
116.04950	0.9
118.06578	0.5
120.04462	0.8
121.05253	1.1
122.06004	28.2
123.04437	2.4
123.06351	1.2
124.04778	0.7
124.07579	1.0
126.99467	2.8
130.06554	1.2
132.04475	2.0
134.06018	13.1
135.04456	0.5
135.06367	0.6
136.03885	0.8
136.07565	4.5
139.02679	1.9
146.06013	3.6
147.03149	0.9
148.03973	3.8
148.07625	1.1
150.05548	1.3
152.07076	61.9
153.07448	1.8
158.06017	0.6
160.03976	2.8
160.07588	1.3
162.05423	0.8
171.10196	0.5
173.04756	2.0
174.05501	4.3
177.03108	3.7
180.06598	8.8
186.05542	1.6
188.07092	28.8
188.63980	0.5
189.07410	1.7
190.05173	0.6
191.01817	0.6
195.08931	0.5
197.07191	0.9
197.10788	0.6
203.08267	1.9
209.02985	0.8
210.07880	1.3
211.08701	6.0
223.08707	1.8
223.12340	1.1
224.09480	2.0
225.06691	0.6
225.10274	6.7
226.10971	2.5
227.11823	7.8
235.08783	1.5
236.09532	1.0
237.10274	2.4
238.07368	4.4
239.08241	1.3
239.11787	2.9
245.12964	6.5
245.15323	0.5
246.06506	0.7
248.09441	0.8
249.06647	0.9
249.10345	1.8
250.07526	1.0
251.08214	3.3
251.11903	3.4
252.08943	4.1
253.09789	15.4
254.10286	1.9
259.02319	1.1
262.07443	0.9
263.08365	1.4
264.09073	1.9
265.09769	4.5
266.10464	2.2
267.07922	1.1
267.11322	7.3
269.12976	0.7
277.09814	4.2
278.10492	1.0
279.07770	4.7
279.11414	4.4
280.08499	2.1
280.11691	0.6
281.09381	1.0
289.09933	0.6
289.14764	0.9
292.08624	1.9
293.09280	4.5
294.10168	4.8
295.10864	41.5
296.11185	4.8
297.12271	0.8
305.09308	0.6
307.10849	17.5
308.11285	0.6
313.11987	2.0
321.08838	1.1
323.10370	3.4
324.10556	0.5
325.12015	1.2
338.08734	0.7
339.09775	2.6
351.09763	0.7
392.19803	1.4
404.16171	0.8
418.17599	1.8
432.19711	3.8
433.19705	0.6
436.18600	1.2
440.16037	0.6
442.17920	1.0
449.22983	0.7
458.17148	1.0
460.18777	100.0
461.19061	14.3
461.24622	0.3
463.17505	1.0
476.18204	2.6
486.16684	1.2
493.20618	0.7
504.17764	97.0
505.18140	14.8
505.25833	0.6
522.18927	1.3
536.12061	5.4
536.20447	15.5
537.13464	0.6
537.20551	2.8
537.33173	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	39.4
60.01596	0.5
61.98700	1.1
67.82764	0.5
78.95780	61.2
83.31146	0.5
96.96851	7.8
106.04359	0.6
150.97949	2.0
152.99498	100.0
153.99849	1.8
161.50586	0.5
171.00558	4.3
199.13275	1.3
229.70966	0.7
335.91684	0.6
353.13724	11.2
354.14072	0.6
381.28061	0.8
399.29050	2.8
417.29990	5.0
457.33081	1.6
475.34399	10.9
476.34485	1.5
516.38513	0.6
517.25354	0.8
531.89771	0.6
535.26715	16.6
536.26831	2.6
551.48663	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	2.2
59.01253	100.0
60.01589	1.1
61.98708	1.4
69.03345	0.8
71.57453	0.8
73.02824	1.5
74.80434	0.6
78.95780	26.3
83.04892	0.8
94.87513	0.8
96.95937	0.8
96.96848	2.9
111.01911	1.6
121.02877	0.7
152.13197	0.5
152.99498	32.1
153.99841	3.2
171.00604	1.5
185.40569	0.6
211.13458	0.5
257.15372	2.7
273.15088	0.6
285.15012	1.7
289.18137	0.8
294.21671	0.9
303.16022	0.7
381.27930	2.7
395.29556	0.6
447.21826	1.5
448.21936	8.3
448.27731	0.8
449.22095	0.7
457.33249	33.8
458.33618	5.0
475.34290	21.4
476.34824	2.2
482.19415	0.6
535.17627	1.0
535.29291	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	535.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63220	0.3
59.01254	100.0
60.01593	0.8
61.03539	0.3
63.33684	0.3
71.12997	0.4
71.13314	0.4
78.95784	12.5
80.29176	0.3
85.36103	0.3
96.96873	1.2
149.02960	0.4
150.97984	0.4
152.99503	26.4
171.00638	1.3
260.17935	1.2
277.21793	0.4
295.22824	1.1
381.28229	0.4
399.29056	2.1
400.29431	0.5
417.30157	1.7
448.59338	0.4
449.23172	6.2
457.33557	1.1
475.34283	5.0
476.35034	0.8
535.28558	0.6
536.26959	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3275
Annotation	Dihydrosanjoinine A
Peak:m/z	Relative Intensity
56.85231	1.5
57.03305	3.9
58.70546	1.7
59.01243	5.3
67.01776	2.7
69.03324	18.5
71.01239	3.6
71.04881	6.6
71.41863	1.7
71.56907	2.6
78.95771	7.4
79.24213	1.7
83.04916	2.4
88.33936	1.6
94.38422	1.9
97.02806	2.1
97.06448	2.8
108.01994	2.3
123.08042	5.9
125.09583	7.7
126.99363	1.8
127.11162	3.5
128.21329	1.9
137.09586	2.2
140.91534	1.8
151.11182	18.4
152.53188	1.7
153.12717	4.7
161.09630	29.6
167.00972	3.2
169.12250	3.5
179.10690	89.8
180.11006	5.8
181.12248	10.9
197.11763	80.1
198.12059	6.7
199.13239	1.7
209.30194	1.6
223.09651	8.7
233.03545	1.9
241.10768	68.3
242.11073	5.4
265.21786	2.1
272.96643	2.1
293.21194	16.1
294.21341	2.6
301.53030	1.9
301.60092	1.8
311.22253	69.8
312.22604	6.9
363.11670	2.0
418.62943	2.0
453.21555	2.8
517.31616	4.7
535.32709	100.0
536.33191	18.6
540.79785	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60114	0.7
56.53608	0.8
57.03324	2.9
58.00471	1.0
59.01250	100.0
59.15347	0.7
60.01595	1.3
69.03326	1.3
69.75068	4.2
71.01254	25.2
72.01575	0.8
72.99187	2.0
73.02817	29.4
75.00746	1.7
81.74146	0.7
83.01255	9.0
84.56040	0.6
85.02823	20.2
87.00734	3.7
89.02319	9.6
89.02828	1.0
95.01260	1.6
96.95909	0.9
98.20515	1.5
99.00741	1.0
101.02323	36.4
111.00758	3.6
113.02332	16.7
118.38985	0.7
119.03386	5.4
121.02820	0.9
122.06022	1.3
123.94315	0.6
125.02304	1.4
126.99409	3.2
129.01822	1.8
131.03400	3.5
136.01576	0.9
136.07529	0.6
137.02388	1.6
143.03381	3.2
146.85223	0.7
147.02908	2.4
149.02422	0.8
149.04453	7.3
151.03877	0.9
152.07097	2.7
155.03429	0.9
161.04463	16.4
161.05777	0.9
173.00778	0.9
179.05580	1.9
188.06995	1.3
191.01907	6.1
203.05550	1.1
209.02968	4.4
211.13403	1.0
221.06644	4.9
253.09695	1.0
295.10858	1.2
296.09863	0.7
373.12888	2.4
387.20264	0.7
415.23926	1.2
460.18787	3.2
475.25174	1.1
503.64951	0.7
504.17743	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	535.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	4.5
57.03326	1.7
59.01254	35.2
59.92694	1.3
61.33272	1.3
61.98717	1.4
64.01572	1.3
71.01254	23.9
71.58447	2.3
72.99180	6.8
73.02820	73.8
73.39896	1.4
74.03175	1.4
75.00755	1.6
78.95789	2.1
83.01261	19.0
85.02815	10.1
87.00749	9.5
89.02338	3.7
93.03310	2.8
96.36515	1.6
96.95896	2.9
99.00757	21.1
101.02321	100.0
102.02678	3.1
110.09000	1.4
111.00764	2.6
111.01500	1.3
112.93596	1.8
113.02340	5.4
125.02294	2.0
127.00258	4.5
129.01811	1.2
133.02849	18.4
134.03667	16.9
135.04443	4.0
137.02353	6.1
139.03914	2.4
145.01331	47.4
146.01677	2.0
158.81461	1.3
165.02089	1.5
167.10658	1.3
171.81703	1.4
177.01927	8.6
178.02615	13.5
179.03111	1.5
187.03900	1.3
191.01965	1.8
204.08968	1.8
211.13374	10.5
220.03590	1.5
269.21210	2.0
283.13599	1.9
287.22272	20.9
309.14984	2.5
313.14801	2.1
327.15979	5.6
345.17087	12.1
389.15952	2.7
431.26312	9.6
449.27603	21.2
450.28018	2.1
475.29321	2.0
491.28586	42.2
492.29099	6.9
493.30353	4.9
535.22076	4.3
535.31189	12.8
536.31665	2.8
544.91876	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.7
57.03332	2.3
59.01250	37.7
68.99673	0.7
71.01256	12.7
71.57800	0.5
72.99181	18.0
73.02810	4.1
74.02324	0.6
75.00745	100.0
76.01093	1.3
76.05672	0.4
80.04925	0.5
83.01257	2.8
85.02818	12.2
87.00742	1.3
87.04384	0.7
89.02312	7.8
93.03330	16.7
94.03665	0.6
95.01271	1.2
95.04929	0.5
96.95879	0.6
96.99191	1.0
98.19891	0.6
99.00771	1.5
101.02320	11.5
101.05976	1.1
102.02666	0.5
108.02048	0.7
109.02790	0.6
111.00758	1.4
113.02328	8.3
116.92750	0.6
119.03399	2.9
121.02840	1.5
122.06015	1.3
123.04408	10.1
125.02340	0.9
128.03424	0.6
129.01833	1.1
129.05463	2.6
131.03392	0.6
134.05969	0.7
135.04468	0.6
136.01526	1.1
136.07521	0.4
137.02341	33.9
138.02692	1.1
143.03409	1.4
147.02856	1.7
147.06532	75.5
148.06841	2.5
149.02354	0.6
149.04420	0.9
152.07104	3.1
157.28221	0.5
161.04471	4.1
164.07021	0.6
179.05562	3.1
188.07092	0.8
191.01910	4.2
191.03413	0.7
209.02869	3.6
221.04526	0.7
225.10324	0.5
241.21414	0.5
253.09724	0.7
281.06641	38.3
282.06906	2.7
295.10815	2.3
303.01724	0.9
307.10861	0.8
327.18176	1.1
331.00790	0.7
405.11884	9.3
406.12292	1.5
415.23309	6.5
416.23932	0.8
433.24686	2.6
460.18805	5.3
463.12460	35.2
464.12683	6.3
475.25540	1.4
491.18430	0.5
504.17834	5.4
535.18066	3.7
535.31311	1.1
536.19788	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	535.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56145	0.5
59.01254	3.7
61.98711	0.5
71.58221	0.7
78.95777	65.3
85.25283	0.5
96.95895	1.1
96.96838	6.8
110.76161	0.5
111.16582	0.5
116.29168	0.4
118.52965	0.5
150.97931	1.7
152.99493	100.0
153.99846	1.4
171.00569	4.3
171.10245	0.6
181.12213	1.0
199.13416	1.2
307.22858	0.6
353.13718	11.6
368.05566	0.6
409.44409	0.6
475.34378	0.7
535.26801	15.2
536.27386	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	535.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39155	0.5
53.23645	0.5
59.01250	4.8
61.70499	0.4
61.98703	0.9
65.02322	0.4
70.45366	2.2
78.95778	67.9
91.42081	0.5
96.95885	1.2
96.96841	6.9
150.97925	1.5
152.99492	100.0
153.99838	1.7
171.00566	4.3
171.10178	1.0
277.18033	0.9
295.19058	1.4
366.46375	0.6
449.19373	6.0
450.20218	0.7
453.24628	1.1
535.26703	16.0
536.27075	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67499	0.9
59.01252	5.0
59.54331	1.0
60.06321	1.0
61.98704	2.2
62.75756	1.0
70.86993	2.1
70.87370	1.9
78.95778	41.2
80.97617	0.9
81.89392	0.9
96.96841	5.8
118.13870	0.9
131.91374	0.9
152.05220	0.9
152.99496	57.6
171.00558	2.4
171.10228	1.3
183.00583	15.0
201.01648	1.2
207.10129	1.5
225.11290	2.4
243.12434	6.1
251.16342	1.1
257.01779	1.8
257.04297	16.5
275.05341	1.7
275.19873	1.1
277.21725	100.0
278.22086	9.0
309.20642	1.6
367.27472	2.0
535.26666	46.7
536.27045	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	535.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57577	1.5
59.01263	9.1
61.98719	2.9
71.57944	1.9
78.95779	47.8
80.36247	1.9
80.39047	1.8
96.96819	8.4
99.00772	1.9
106.36744	1.5
111.08466	1.6
132.52333	1.5
152.99490	64.6
183.00560	14.9
193.41180	1.7
201.01749	1.8
207.10344	2.7
225.11304	4.4
243.12321	6.5
251.16516	2.6
257.04300	15.2
274.02179	1.7
275.05316	2.2
277.21719	100.0
278.22113	9.4
305.73602	1.6
312.84845	1.8
339.41180	1.6
535.26660	48.3
535.33844	3.2
536.26868	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	535.2314
Annotation	Cowagarcinone E
Peak:m/z	Relative Intensity
53.98458	1.0
55.01745	1.8
57.03310	1.7
59.01232	2.1
61.98696	1.5
65.03834	27.0
69.03324	1.2
69.34043	1.2
69.34447	9.7
70.80957	1.0
71.04887	15.5
78.95778	49.6
83.04903	1.5
96.96829	3.8
97.05868	1.9
97.06467	27.0
98.20602	2.3
102.27731	0.9
109.06474	1.7
119.08553	4.1
121.06485	37.9
123.08018	2.2
123.11913	0.9
125.08726	1.6
125.09614	21.9
137.09601	1.0
149.09360	1.1
152.99493	61.6
153.99835	1.1
164.08257	1.7
167.14273	1.4
171.00566	4.6
171.10162	1.4
185.11755	27.5
186.12181	1.2
195.13777	2.1
209.11765	11.9
211.13356	12.9
223.17021	2.6
224.17332	2.2
227.03221	6.2
233.15427	2.4
234.15865	2.0
235.13354	28.9
236.13646	1.9
242.07881	1.4
245.04222	2.9
251.16457	6.2
252.16812	5.1
289.18134	9.5
299.12686	1.1
299.54092	0.9
307.19138	18.4
308.19482	1.6
309.20697	10.2
310.21072	12.4
421.90121	1.1
443.18222	2.4
535.23016	100.0
536.23297	12.3
544.09528	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	535.2316
Annotation	Cowagarcinone E
Peak:m/z	Relative Intensity
55.01752	3.4
57.03036	2.2
57.03311	4.6
59.00996	3.7
59.01256	46.0
61.60186	2.3
62.78880	2.1
65.03521	3.6
65.03836	43.2
69.03312	3.5
71.01264	3.0
71.04886	33.6
71.37691	5.7
71.77810	2.3
78.95782	38.5
83.04891	5.7
96.95894	2.4
96.96840	3.0
97.06477	38.6
109.06487	4.5
109.70576	2.8
119.08562	6.4
121.06479	60.4
123.08080	3.5
125.09596	33.2
136.28313	2.7
140.66997	2.4
141.12675	2.9
151.11137	2.8
152.99496	41.5
171.00613	5.6
171.10214	7.5
185.11771	44.6
186.12036	2.8
191.14319	3.8
194.86206	2.5
207.47321	2.9
209.11823	19.0
211.13327	28.5
233.15488	2.6
235.13373	83.9
235.15599	2.8
236.13661	7.7
245.04240	7.8
271.13419	3.2
276.28262	3.2
289.18066	18.1
307.19165	58.6
308.19318	3.9
372.08072	3.2
372.54614	2.5
377.12866	2.9
463.12289	3.0
491.28726	6.2
517.16608	4.5
535.23083	100.0
535.30194	7.3
536.23560	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2309
Annotation	Cowagarcinone E
Peak:m/z	Relative Intensity
57.03314	3.6
59.01249	8.0
59.85225	0.9
61.98689	2.7
69.03327	1.4
71.01248	2.4
71.58597	0.9
73.02808	2.0
76.56480	0.8
78.95776	44.5
79.83168	0.9
80.02560	1.3
81.03294	2.1
83.01236	4.9
83.04900	2.0
85.02821	5.0
93.03358	1.1
95.04902	2.0
96.95881	1.0
96.96832	2.9
97.02838	1.8
97.06473	4.4
99.00778	1.7
100.19608	0.8
101.02319	3.3
103.49606	0.9
109.06481	1.3
113.02303	1.1
123.04400	3.8
123.08038	2.0
125.06042	0.8
125.09598	5.7
131.57066	0.8
133.02789	1.2
134.03671	1.3
137.09616	3.8
141.12762	1.5
142.02576	1.2
145.01366	1.8
150.97969	1.0
151.11177	1.9
152.99492	59.3
163.07533	1.3
163.11230	7.0
165.12744	2.4
166.71182	0.8
169.89597	1.0
171.00557	3.4
171.10179	1.3
179.10623	1.0
181.12228	3.1
185.11763	6.9
191.01935	1.3
191.10693	2.1
191.14372	4.4
207.10187	3.1
209.11761	25.6
210.12149	1.2
211.13306	2.5
224.54872	0.9
225.11258	2.6
227.03242	6.2
230.01680	0.9
245.04309	2.1
245.19070	10.0
246.19376	1.4
271.17184	1.3
289.18088	23.5
290.18304	1.6
302.05795	0.9
307.19141	19.1
308.19620	1.3
346.97299	0.9
379.05945	0.9
443.18314	2.0
505.32990	0.8
535.23138	100.0
536.23328	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	535.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84395	0.9
55.90755	0.9
66.88404	0.8
69.42499	7.9
72.99184	13.8
75.00751	10.9
75.11214	0.9
77.24837	0.9
83.02387	1.6
85.02819	2.1
90.01767	0.9
93.03349	0.9
116.92686	1.2
128.98756	0.8
131.04543	1.0
133.04958	100.0
134.05293	3.2
137.74934	1.1
144.45799	0.9
180.06519	0.9
191.01881	0.9
333.30487	0.9
448.97165	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	18.7
70.71534	2.2
71.01238	2.8
72.99187	2.0
74.02357	1.7
75.00750	100.0
76.01083	1.0
78.95779	5.3
85.02810	2.5
89.02309	1.4
93.03325	2.1
93.34037	1.0
101.02348	2.2
108.02055	4.4
109.02837	1.1
113.02386	1.2
119.04909	1.4
121.02847	4.6
123.04436	1.1
128.03401	1.9
145.06396	1.0
152.99490	3.0
158.02304	1.1
159.04370	1.7
162.67027	1.0
168.53304	1.1
168.84967	1.0
173.05980	2.6
200.92693	1.0
215.76514	1.0
237.14937	1.8
253.08775	10.0
255.15968	4.1
265.08713	5.2
283.09824	3.6
295.09799	2.2
297.11307	1.2
306.07703	2.3
307.07895	2.0
313.10794	8.3
329.13889	3.3
373.12598	1.3
535.17743	1.5
535.24634	1.5
536.22748	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	535.203
Annotation	Unknow
Peak:m/z	Relative Intensity
64.20984	1.1
70.08717	3.8
72.99182	19.7
73.08798	1.2
75.00745	12.8
120.16296	1.2
133.04964	100.0
134.05293	4.2
136.96527	1.1
271.46088	1.3
393.86798	1.2
514.48743	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	535.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.6
59.01249	2.6
68.99686	1.0
69.20810	0.4
71.01257	3.2
72.99184	14.9
73.02832	0.9
75.00746	100.0
76.01094	1.1
83.01260	1.2
85.02805	2.4
89.02309	0.8
93.03336	15.9
94.03711	0.6
95.01271	0.7
96.99191	1.1
98.19797	0.8
101.02324	3.4
113.02330	2.6
121.02843	1.1
123.04413	9.4
129.05495	1.8
136.01564	1.6
137.02344	29.2
138.02719	0.8
147.06534	78.2
148.06888	1.7
151.03888	0.5
152.07053	0.6
156.41937	0.5
163.09967	0.5
191.01854	1.0
191.03430	0.6
197.06023	0.5
221.04417	0.7
232.02106	0.4
281.06665	40.2
282.07034	2.7
295.10834	0.6
331.01157	0.6
405.11871	11.1
406.12125	0.9
460.18674	0.9
463.12448	39.6
464.12619	3.7
504.17859	0.8
535.18170	4.2
536.18781	0.9
538.63898	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02261	0.3
57.03309	0.5
59.01247	6.0
61.98700	100.0
68.02402	4.1
69.02142	0.3
69.02715	0.3
69.69656	0.3
71.01256	1.9
71.57963	0.4
71.58340	0.5
72.99184	0.5
73.02815	3.7
75.00751	0.8
78.95789	0.7
83.01270	0.9
83.78839	0.3
85.02826	1.4
87.00759	0.6
89.02318	0.9
93.03316	0.4
96.95892	0.6
99.00764	0.9
99.04424	0.3
101.02316	5.2
111.00761	0.6
113.02340	0.6
119.03380	0.3
119.15625	0.3
126.99439	0.6
128.99158	6.3
129.99518	1.7
133.02858	0.7
134.03662	0.9
135.04431	0.3
137.02370	0.5
142.99768	0.5
145.01315	1.9
152.07100	0.3
152.99467	0.3
162.02788	0.3
170.75285	0.3
191.01920	0.3
197.11742	0.3
211.13237	0.4
231.49249	0.3
241.10677	0.4
304.41708	0.3
313.03525	0.3
314.04318	0.5
327.16440	0.3
343.13889	0.6
345.17145	0.5
353.35043	0.3
403.16299	0.3
475.28687	0.5
535.11591	0.3
535.23737	0.5
535.31158	5.6
536.32001	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1092
Annotation	Patuletin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
55.01749	3.2
57.03325	1.9
58.19913	1.2
59.01252	66.8
61.98704	100.0
63.99115	1.6
71.01253	25.3
71.57814	1.7
71.58179	2.0
72.99184	7.0
73.02820	53.1
75.00747	26.1
78.95782	4.4
80.91603	1.1
83.01259	10.6
85.02828	10.6
86.16569	1.4
87.00749	3.7
88.18984	1.1
89.02332	6.8
93.03362	2.4
93.46802	1.0
95.01266	2.2
95.80829	1.1
96.95889	2.6
99.00766	14.8
101.02327	71.9
103.00255	1.4
108.02033	2.6
109.02859	1.9
111.00798	2.3
113.02341	6.5
119.03393	3.6
120.04440	1.2
121.02825	2.3
122.06054	2.4
123.00795	1.8
123.04391	2.1
125.02318	1.4
125.05996	1.6
127.00240	1.8
133.02859	11.1
134.03638	10.5
135.04375	3.3
136.01564	2.6
137.02333	4.3
139.03918	2.3
141.09114	1.1
143.03442	1.1
145.01334	32.8
149.02388	2.9
152.01045	4.1
152.07024	5.5
152.99541	1.5
153.01857	1.3
157.07495	1.2
161.04448	3.4
162.05516	2.1
163.00281	1.2
163.02351	1.5
164.01053	1.8
164.98215	2.5
165.01865	6.6
165.98940	1.7
167.03377	7.2
171.04411	1.9
175.00310	3.3
175.03973	1.6
176.01054	1.4
177.01866	5.9
178.02611	5.6
178.99725	2.7
180.00684	1.3
183.13857	9.2
187.03886	3.4
193.01306	2.9
195.06567	1.2
198.03113	1.4
199.04001	2.4
209.03001	2.8
209.11774	1.3
211.13351	51.8
212.13602	3.0
214.02539	2.4
215.03471	5.6
226.02730	1.2
231.02921	2.8
242.02113	2.6
243.02873	4.3
244.03716	1.9
254.02208	1.9
259.02426	4.0
269.04495	1.4
270.01657	4.2
271.02493	15.1
271.09744	1.5
272.02997	2.0
285.04047	12.6
286.04630	2.6
287.01938	15.8
288.02322	1.7
295.10733	1.4
297.06754	1.3
298.01071	2.9
299.01968	3.5
302.04007	1.5
307.10651	1.6
313.03528	21.8
314.03967	4.5
315.01517	32.8
315.05130	2.4
316.01950	5.7
317.54935	1.2
323.10245	2.3
327.16061	2.8
328.16193	1.5
330.03809	36.5
331.04559	11.7
334.11478	1.3
345.16840	8.7
373.26077	1.2
415.23267	7.0
433.24377	4.6
448.17834	1.5
460.18289	2.6
475.08640	3.1
492.17993	2.1
493.29861	1.5
504.17731	4.1
534.29395	1.3
535.10901	31.6
535.31622	10.4
536.11255	4.1
536.19708	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	535.1098
Annotation	Patuletin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
59.01256	3.7
59.02995	0.4
59.86531	0.4
65.00187	3.5
68.99692	0.9
69.99135	1.2
69.99546	0.8
69.99756	0.4
71.01255	2.5
72.99190	0.5
73.02821	4.0
78.98225	0.4
82.36404	0.4
83.01249	0.8
85.02817	1.2
89.00218	0.6
89.02345	0.6
91.01743	1.0
93.03329	0.7
95.01260	0.8
96.99178	0.7
97.02828	2.3
98.19798	0.5
99.00739	0.7
100.50260	0.4
101.02330	3.9
107.01292	0.7
108.08073	0.5
109.02845	3.5
109.99969	2.6
111.00755	1.3
111.72797	0.4
113.02338	0.6
119.01295	0.5
121.02873	3.1
123.00782	2.3
123.04409	1.3
124.01523	0.9
125.02316	1.6
132.04462	0.5
133.02820	1.0
135.00742	0.8
135.04396	0.5
136.01572	6.7
136.98654	1.6
137.02347	3.6
137.99477	1.9
138.03117	0.8
139.00278	3.9
139.03897	4.7
143.04872	0.7
145.01370	1.8
145.02859	0.9
147.00775	1.4
148.01561	0.7
149.02345	8.5
149.99524	3.6
151.00294	2.1
152.07123	0.7
153.01836	5.3
158.03595	0.6
159.04408	2.1
161.02330	1.9
162.19513	0.4
163.00275	4.0
163.03867	0.7
164.01074	4.3
164.98199	10.6
165.01843	20.9
165.98991	8.3
166.02565	2.3
167.03412	1.6
171.04379	3.2
173.02382	1.4
174.03220	0.6
175.00298	6.0
175.03899	1.3
176.00986	0.9
177.01845	0.7
177.98955	3.8
178.99768	8.3
180.00516	3.7
181.01392	2.5
181.62860	0.4
182.03503	0.5
183.02905	0.9
183.04419	0.9
185.02382	1.0
186.03113	0.7
187.00195	0.6
187.03909	4.8
189.01843	3.6
190.99782	0.8
191.03365	0.6
192.00546	1.0
193.01357	6.6
197.02396	0.8
198.03123	2.5
199.02327	0.7
199.03885	3.5
200.01054	0.9
200.04706	0.5
201.01843	2.0
202.02596	1.0
203.03398	3.1
207.02893	1.7
208.00070	0.6
209.00812	1.3
209.02698	0.6
213.01869	2.0
213.05450	0.6
214.02588	2.7
215.03442	10.8
216.00520	0.5
216.03983	1.5
217.01270	1.2
217.04875	0.5
219.02997	0.7
221.04736	0.5
222.01636	0.7
225.01865	1.1
226.02669	6.4
227.03464	2.7
228.04253	0.7
229.01366	1.3
230.02016	1.4
231.02928	7.0
232.03328	0.5
241.01428	3.4
241.04999	1.7
242.02148	6.8
243.02942	10.2
244.03490	2.0
245.00865	3.0
245.04317	0.9
253.01358	1.1
253.13667	0.7
254.02213	4.6
255.02733	1.2
256.03711	0.8
257.04550	2.1
258.01682	1.6
259.02438	8.8
260.02884	0.8
261.07581	1.4
269.00922	1.1
269.04520	3.9
270.01666	12.1
271.02444	26.7
272.02838	3.4
273.03873	0.7
281.00851	0.9
283.02396	0.7
285.04028	24.4
286.01172	1.2
286.04691	5.8
287.01978	53.7
288.02411	5.0
295.02545	1.5
297.00375	1.3
298.01010	3.1
299.01926	2.3
300.02411	0.5
301.03452	1.5
303.05008	0.9
311.01907	0.6
311.05576	0.9
312.02692	1.7
312.99719	0.8
313.03519	41.8
314.04010	5.2
315.01453	100.0
316.02054	19.0
317.02536	0.9
327.05075	0.5
329.02850	0.9
329.06555	1.0
330.03781	95.8
331.04520	62.9
332.04950	4.6
355.04343	2.3
373.05511	1.6
427.08798	0.6
477.81702	0.4
491.12158	1.3
493.09903	8.8
494.10208	1.0
503.16949	0.7
517.09821	2.4
535.10901	87.6
535.31378	1.4
536.11206	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	534.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.6
71.58124	0.8
78.95773	8.9
91.62350	0.6
112.08212	0.5
121.02850	1.5
140.01047	1.9
149.06050	0.7
149.36655	0.6
152.99432	1.9
196.03670	3.7
214.04768	2.1
217.00264	0.7
255.23273	100.0
256.23636	6.8
319.44092	0.6
393.19659	1.1
438.37381	0.6
452.27814	24.0
453.28235	2.8
534.26862	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	534.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
63.08235	1.0
69.32442	6.5
69.32868	5.6
74.36338	1.0
78.95776	29.2
137.03441	1.2
140.01105	5.9
152.99469	8.3
196.03723	11.7
196.89410	4.7
197.89484	1.7
209.63068	1.2
255.23280	100.0
256.23563	6.6
279.23233	1.6
283.03967	1.2
311.01938	1.0
452.27798	47.2
453.28055	6.2
534.27179	2.8
553.05829	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60093	0.3
54.12982	0.3
59.01250	3.3
61.98695	0.9
63.20787	0.3
68.57245	0.3
74.19405	0.3
78.95779	50.9
96.96845	6.3
121.02914	0.3
150.97913	2.2
152.99495	100.0
153.99834	1.3
155.10846	0.3
163.11287	0.4
164.19902	0.3
171.00566	4.3
185.11848	0.3
193.12292	0.9
209.11815	1.0
245.19244	0.4
264.58136	0.3
275.20184	0.8
289.18118	1.5
293.21146	2.9
306.07422	0.3
307.19174	1.1
369.82867	0.4
447.21533	21.8
448.22076	2.0
493.41586	0.3
534.25409	2.6
535.23584	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	534.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60093	0.3
54.12982	0.3
59.01250	3.3
61.98695	0.9
63.20787	0.3
68.57245	0.3
74.19405	0.3
78.95779	50.9
96.96845	6.3
121.02914	0.3
150.97913	2.2
152.99495	100.0
153.99834	1.3
155.10846	0.3
163.11287	0.4
164.19902	0.3
171.00566	4.3
185.11848	0.3
193.12292	0.9
209.11815	1.0
245.19244	0.4
264.58136	0.3
275.20184	0.8
289.18118	1.5
293.21146	2.9
306.07422	0.3
307.19174	1.1
369.82867	0.4
447.21533	21.8
448.22076	2.0
493.41586	0.3
534.25409	2.6
535.23584	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	534.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.7
57.70731	0.3
59.01251	11.4
60.01582	1.4
61.01670	1.0
61.01962	0.3
61.98699	2.0
69.87450	1.0
69.87859	0.4
71.01247	0.9
71.63233	0.2
73.02804	0.4
75.00736	0.4
78.95775	54.0
83.01270	0.3
85.02828	1.0
89.02312	0.4
90.48383	0.2
96.96846	6.3
101.02317	0.7
109.03831	0.2
126.99444	0.9
128.99132	0.4
150.97926	1.9
152.99489	100.0
153.99832	1.5
161.04475	0.3
163.11156	0.3
171.00565	4.1
171.10176	0.3
188.56154	0.2
196.03807	0.2
209.11742	1.2
245.04268	0.3
247.08978	0.3
289.18149	1.5
293.21188	0.5
307.19046	1.2
331.35095	0.2
369.56042	0.3
447.21527	27.6
448.21796	3.2
491.34787	0.6
502.16592	0.3
534.24817	5.4
535.23181	2.5
544.56256	0.3
547.73950	0.3
547.82123	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	12.8
61.98698	6.2
62.49437	1.4
68.02412	27.7
69.03336	2.4
71.01266	1.8
71.57742	2.4
77.57288	1.5
78.95779	27.8
85.02817	4.6
89.21303	1.7
96.96844	3.4
101.05957	4.3
111.00816	1.6
112.54376	1.5
136.83853	1.7
141.78087	1.3
149.27435	1.5
152.99480	49.0
162.49313	1.6
167.10672	2.6
171.00575	1.9
179.14313	4.0
195.13847	12.0
205.12288	9.7
223.13335	100.0
224.13683	5.3
292.08575	4.1
447.21585	12.0
480.40674	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	534.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02852	6.9
59.01248	2.0
65.56646	0.6
66.03370	0.7
66.13915	0.6
71.01258	1.7
71.17169	0.8
72.00758	1.1
74.02342	15.6
81.04459	1.7
81.42156	0.6
82.02852	2.2
82.68874	0.6
83.01215	0.7
84.04400	0.9
85.02819	3.0
86.02351	5.7
86.05994	0.7
86.98985	0.7
87.05518	2.9
89.02336	0.8
90.00047	1.4
96.04416	0.7
97.03949	1.5
99.05523	14.3
101.07082	1.5
102.05492	1.8
107.06039	1.6
109.03953	2.2
110.02415	0.7
111.00758	0.8
111.05547	1.3
112.03949	1.0
114.79232	0.6
116.01636	1.1
123.05527	2.4
123.65186	0.6
124.03933	0.7
125.03448	1.1
127.05025	2.4
128.03427	32.2
129.03775	0.8
135.04619	0.8
135.05524	4.3
135.61189	0.7
137.07117	0.9
141.06624	2.9
143.04521	48.6
144.04784	1.2
145.06050	1.3
146.04488	3.5
153.06589	3.1
155.08179	0.6
160.00659	12.4
166.09772	2.2
167.04536	2.7
167.08206	1.8
171.07562	0.7
171.10075	0.7
177.03331	4.3
179.04538	9.6
180.07846	0.6
185.05563	1.4
189.77028	0.6
191.01912	1.2
192.07666	1.0
197.05595	1.5
209.03130	0.7
209.11694	0.9
210.08791	9.0
229.61726	1.0
236.13612	0.6
242.07768	0.8
254.07802	10.0
272.08856	19.3
288.06564	7.6
294.00247	0.7
302.37436	0.7
306.07642	100.0
307.07874	6.0
459.17697	0.7
472.22351	0.9
503.16235	0.8
517.11212	0.7
534.21594	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	534.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.7
58.02848	6.1
59.01247	3.0
66.03356	0.6
71.01262	2.2
71.57147	0.5
72.00784	0.8
72.99183	0.6
74.02342	13.6
75.00763	0.7
80.11153	0.4
81.04446	0.6
82.02865	1.3
84.04433	0.5
85.02818	5.5
86.02339	5.0
86.06019	0.9
86.98988	1.0
87.05505	3.0
88.03882	0.6
89.02306	1.3
90.00060	1.0
96.04438	0.5
96.95934	0.7
97.03945	1.1
99.05526	10.9
100.05883	0.4
101.02377	0.9
101.07043	2.2
102.05492	1.4
107.06020	0.4
109.03981	2.2
109.07606	0.9
110.23600	0.4
111.00773	1.2
111.05522	1.0
112.03909	1.7
113.02296	0.5
113.03443	0.6
116.01645	0.8
119.03422	0.5
120.01122	1.0
123.05528	1.1
125.03454	1.2
126.01804	0.5
127.05006	2.0
128.03424	30.6
129.01833	0.9
129.03809	0.5
129.99548	0.5
133.05061	0.6
134.03644	0.5
135.05501	3.1
141.06613	2.5
143.04520	42.7
144.04878	1.0
145.06099	1.6
146.04500	4.0
147.02904	0.6
153.06583	2.7
160.00638	11.8
165.05449	0.4
166.09795	1.7
167.04559	2.8
167.08186	1.9
170.03215	0.6
171.04036	0.9
171.07674	0.5
173.00751	0.6
177.03310	4.1
179.04530	9.2
181.06102	1.5
184.10672	0.6
184.34032	0.4
185.05594	1.7
186.42244	0.4
191.01907	2.7
192.07649	1.1
193.04993	1.3
197.05588	1.6
198.08781	0.6
209.02977	1.8
209.11769	1.3
210.08774	9.9
211.09105	0.4
213.03477	0.5
228.09795	0.8
231.04478	0.6
242.07809	1.2
254.07776	11.5
255.08139	0.5
272.08853	19.6
273.09161	1.2
283.09836	0.5
288.06577	7.6
289.07040	0.7
306.07642	100.0
307.07941	6.3
490.11322	0.7
534.21082	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	533.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.4
57.57952	0.9
59.01250	100.0
59.65912	1.0
60.01585	1.7
61.98706	1.2
65.28202	0.9
69.30737	8.8
69.31143	2.0
78.95777	38.9
90.19907	1.0
96.96877	2.4
102.17239	1.0
121.13165	1.0
152.99498	49.0
171.00528	2.1
257.15573	1.5
275.20105	1.7
277.00967	1.0
285.14880	4.9
293.21133	3.4
309.20740	1.5
333.32330	1.0
363.23279	1.5
379.26389	7.2
381.24323	1.8
393.27768	1.2
397.27451	12.3
415.28439	1.3
447.21527	18.2
455.31519	8.2
456.31958	1.1
473.32715	36.6
474.33170	4.9
475.15714	1.2
487.30542	1.4
534.27789	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01822	0.3
55.01754	0.6
57.03327	1.3
58.00454	0.4
59.01251	100.0
60.01320	0.3
60.01580	1.4
61.98706	0.7
68.02415	0.6
69.03332	0.4
69.72700	1.6
69.73121	0.5
71.01255	12.3
72.99187	0.7
73.02814	3.5
75.00768	0.3
78.95775	1.4
83.01269	2.2
85.02824	7.9
86.03169	0.4
87.00772	0.8
89.02316	2.2
95.01268	1.5
97.02889	0.7
98.19784	0.5
99.00784	1.3
101.02322	7.1
110.98431	0.5
111.00782	0.5
113.02333	7.3
119.03427	0.4
125.02383	0.5
126.99453	0.5
143.03430	0.9
152.99556	0.8
153.08232	0.3
159.02919	0.6
161.04465	3.5
167.01025	0.6
171.10228	0.5
182.25565	0.3
191.02138	0.3
217.00209	0.4
252.14839	0.4
267.23325	0.7
277.84637	0.3
283.26514	0.5
305.17740	0.6
329.30664	1.4
347.25952	2.4
365.27133	1.0
473.27997	0.3
473.34824	19.1
474.35132	2.7
491.35901	19.4
492.36200	2.5
493.28549	0.4
533.29230	2.2
533.36584	0.5
556.51825	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94215	0.4
59.01257	2.5
59.69848	0.4
61.99661	0.5
62.19369	0.5
69.52422	4.0
71.04880	0.6
77.70496	0.5
78.95776	13.4
83.04900	0.5
83.32436	0.4
85.02833	0.6
85.06474	1.4
97.06477	0.5
104.36928	0.5
104.97387	0.6
110.98406	9.1
152.99463	0.7
155.14276	0.7
165.12762	1.8
167.01065	6.2
174.99162	0.7
181.12335	0.5
185.02101	4.0
199.13322	18.3
200.13676	1.3
217.00298	1.5
261.18555	0.8
279.19644	9.3
279.22495	0.7
280.20056	0.8
297.05847	0.4
347.25925	9.4
348.26141	1.1
351.91458	0.5
352.98004	0.6
354.10059	0.7
363.25629	0.8
365.26944	100.0
366.27264	13.0
374.99045	0.7
391.18124	0.8
533.28851	24.6
534.29095	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	533.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95699	0.2
59.01247	0.8
61.89861	0.2
62.80095	0.2
65.59466	0.2
71.01242	0.6
71.55962	0.5
72.99179	10.4
75.00746	12.5
85.02826	0.8
89.02312	0.7
93.03342	3.0
116.26910	0.2
119.75413	0.2
123.04360	0.3
127.05019	2.5
128.03435	0.7
133.04959	100.0
134.05302	2.4
137.02313	0.3
145.06081	3.2
167.03363	0.3
191.01961	0.3
209.02980	0.7
221.09296	0.8
226.12276	0.4
238.28198	0.2
247.07271	0.9
251.10335	0.3
265.09222	1.5
271.27090	0.2
364.15292	0.4
371.12540	1.2
413.15427	0.5
439.13699	0.3
506.48874	0.2
533.17786	3.1
534.18066	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64919	0.3
54.87211	0.2
55.01762	0.3
59.01255	1.2
71.01274	0.3
71.04887	0.3
71.13587	0.7
78.95314	0.6
78.95773	10.4
80.80638	0.3
82.31154	0.3
83.04890	0.3
85.06469	1.2
104.97350	0.4
110.98411	8.9
110.99135	0.5
145.57475	0.3
152.99527	0.5
153.12804	0.3
155.14299	0.4
165.12781	1.2
167.01065	5.2
181.12257	1.1
185.02110	4.5
199.13335	19.3
200.13673	1.0
217.00325	0.5
228.69995	0.3
279.19644	9.1
280.19974	0.9
281.29401	0.4
329.24979	0.3
341.08890	0.3
347.25906	8.2
348.26324	1.1
363.25385	0.9
365.26932	100.0
366.27283	13.1
391.17957	1.9
422.43597	0.3
533.28802	21.4
534.29279	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	533.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54429	0.4
56.74953	0.4
57.03328	0.6
59.01245	1.0
69.28554	4.3
69.87411	0.4
71.01250	1.2
72.99180	11.1
73.37279	0.4
75.00744	12.7
75.06260	0.4
75.16268	0.4
78.00364	0.4
85.02818	4.2
93.03325	2.0
94.02847	3.5
96.04436	1.2
96.95894	0.7
98.20548	0.8
111.00801	0.8
113.80530	0.4
120.08078	6.9
129.01871	0.5
133.04961	100.0
134.05299	1.9
138.05519	1.7
152.07112	0.6
164.07123	1.2
191.01917	1.4
198.78314	0.5
209.03003	2.7
221.36314	0.4
226.12321	5.9
229.13376	0.5
235.07637	0.5
261.12497	1.3
267.16672	0.4
270.11377	3.5
272.74203	0.5
303.13516	1.0
305.04688	1.0
364.15375	0.7
367.16479	2.1
409.17502	0.8
478.92041	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	24.7
58.03663	0.7
59.01250	61.5
60.01584	3.3
60.82647	0.3
61.01679	0.7
61.98695	0.8
71.01252	3.4
71.57767	0.5
72.35375	0.3
73.02823	0.7
78.95779	1.0
79.19762	0.3
81.03327	0.8
83.01266	0.9
85.02827	2.4
85.63250	0.3
87.00745	0.5
89.02304	0.5
97.02848	0.4
99.04395	23.0
100.04725	0.5
101.02325	6.4
102.02647	0.3
111.00753	0.8
113.02346	1.3
125.02345	11.3
126.99461	100.0
127.99802	3.1
135.04416	2.4
143.03424	0.5
152.99487	1.4
161.04353	0.4
171.10219	0.4
191.01888	0.3
224.46620	0.4
244.14671	4.0
245.14804	0.5
259.16852	0.7
285.31967	0.3
303.16003	1.7
317.09500	0.3
345.17050	0.6
447.20380	0.4
449.27756	0.5
472.33453	1.4
473.27908	0.5
473.33759	1.1
489.35016	0.4
490.34756	1.5
491.28427	1.3
491.34918	0.6
533.18433	0.6
533.29626	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	533.1302
Annotation	Rhamnazin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
55.37427	0.6
57.03321	1.0
58.09842	0.5
59.01256	6.1
61.44570	0.5
61.98680	0.6
65.00191	1.1
65.65414	0.5
67.31286	0.6
69.28643	4.4
69.29054	1.4
71.01261	3.1
72.99178	1.0
74.02342	1.2
75.00724	0.9
76.35544	0.6
78.64944	0.6
83.01234	1.2
83.04871	0.5
84.02023	0.7
85.02821	8.4
89.02323	1.4
92.94390	0.7
96.95873	2.1
97.02835	1.2
98.19807	1.0
101.02314	1.8
111.00754	1.6
113.02321	0.8
121.02850	1.3
128.03389	1.0
143.04512	1.9
145.02823	0.7
147.00696	0.6
147.02901	0.9
153.06627	0.6
165.01846	4.7
182.03624	1.1
183.01096	0.7
190.64865	0.6
191.01933	2.3
198.03142	2.5
199.03889	0.9
201.01889	1.0
209.02928	2.6
209.11786	0.8
210.03111	1.1
213.05469	1.4
214.02753	3.0
226.02647	5.5
227.03290	1.5
228.70332	0.5
229.01524	0.7
229.04964	0.9
241.01367	0.8
241.04977	1.7
242.02162	19.6
243.02899	6.6
245.00830	3.1
253.99698	1.1
254.02182	11.5
254.07982	0.7
255.02757	1.3
257.04526	11.0
258.04904	1.1
269.04578	7.1
270.01712	16.9
271.02460	15.7
272.02866	0.8
272.08893	0.9
285.04004	17.2
286.04681	2.8
298.01190	4.9
299.01962	18.3
306.07999	1.2
307.08273	0.7
313.03525	86.4
313.53653	0.7
314.04221	32.9
315.04733	1.3
328.05869	45.3
329.06641	100.0
330.07043	8.6
353.92014	0.6
384.51889	0.6
384.56549	0.7
428.62714	0.6
533.12988	27.4
533.20758	1.2
534.13354	4.2
534.59851	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.13
Annotation	Rhamnazin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
51.44553	0.2
55.01695	0.2
59.01257	1.0
65.00205	0.7
69.26918	1.4
69.27342	0.5
71.01259	0.4
85.02813	0.2
86.83162	0.2
97.02829	0.6
101.02334	0.2
108.02010	0.2
109.99945	0.7
111.00793	0.2
113.02306	0.2
116.55651	0.2
121.02799	0.4
123.00730	0.4
123.04367	0.4
134.00072	0.2
134.03574	0.2
136.98708	0.5
145.02812	0.4
146.68958	0.2
147.00758	0.6
149.03847	0.5
151.00253	0.6
155.49609	0.2
165.01831	3.4
169.02875	0.4
182.03641	0.8
186.03125	0.6
189.01888	0.4
193.01086	0.2
198.03151	2.7
199.03882	0.8
201.01935	0.3
207.02812	0.2
210.03117	0.6
211.03711	0.2
213.05522	1.6
214.02647	3.0
215.03340	0.7
225.01958	0.2
226.02666	5.2
227.03352	1.1
229.01527	0.2
229.05006	0.6
241.01436	1.2
241.05026	2.0
242.02148	20.0
243.02908	7.5
244.03210	0.5
245.00851	2.0
253.01353	0.3
254.02161	9.9
255.02753	1.2
257.04517	11.0
258.05099	1.8
268.03668	0.3
269.04541	8.3
270.01678	18.8
270.04507	0.7
271.02432	17.2
272.02771	1.4
273.00354	0.3
275.41046	0.2
282.01712	0.2
284.03033	0.2
285.04028	15.9
286.04688	3.4
286.48523	0.3
298.01178	5.8
298.04401	0.2
299.01935	22.5
300.02335	1.9
301.07208	0.6
313.03513	96.9
314.04214	40.5
315.04626	2.9
327.05093	0.4
328.05850	44.2
329.06619	100.0
330.03027	0.5
330.06952	8.7
349.17090	0.2
371.07678	0.6
426.28223	0.2
491.11911	0.3
518.10651	0.3
533.12988	24.2
534.13464	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	533.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.7
59.01250	6.8
60.01556	0.4
61.98702	100.0
68.02406	4.4
69.02744	0.5
71.01252	5.4
71.05836	0.4
71.06171	0.7
72.01603	0.5
72.99186	0.4
73.02814	1.8
75.00735	0.6
83.01250	0.6
85.02818	2.8
87.00772	1.2
89.02336	1.5
92.38080	0.3
95.01280	1.4
96.95874	0.5
100.05447	0.4
101.02312	2.1
111.00780	1.3
112.49668	0.3
113.02349	1.5
117.05487	0.9
119.03369	0.6
121.02850	0.5
123.00780	3.0
128.99174	2.9
135.96373	0.3
137.02388	0.7
147.04448	0.3
154.50323	0.3
161.04471	0.7
163.00224	0.3
165.01883	1.0
171.10277	0.4
177.01904	0.4
178.99870	0.6
191.01848	0.5
192.00603	0.5
201.11200	0.8
211.13409	0.6
213.14705	0.3
214.02640	0.7
214.83957	0.3
222.01520	0.4
230.02092	0.4
241.08742	0.4
242.02295	0.7
249.53702	0.3
258.01740	0.6
271.02536	1.2
273.04059	0.6
283.02515	0.6
285.04105	0.7
286.01251	0.5
299.02176	0.9
301.03568	1.0
311.01877	2.1
311.22397	0.4
313.03366	0.6
314.04175	0.9
315.05164	0.7
327.16010	4.0
327.21805	0.6
328.22150	0.7
329.02948	1.6
371.04361	0.5
453.06046	0.5
459.09393	0.5
472.12979	0.7
472.26477	0.6
473.13391	1.7
473.27441	0.6
490.27792	0.6
491.28418	0.8
520.39453	0.4
532.29083	1.6
533.09119	1.9
533.29730	6.0
534.10187	0.4
543.99841	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16065	0.3
57.03323	0.4
59.01244	4.6
61.98702	100.0
68.02402	3.7
71.01263	2.9
72.99184	0.4
73.02829	1.4
75.00743	0.3
83.01235	0.4
85.02814	2.1
87.00780	0.6
87.04366	0.3
89.02332	1.3
92.00295	0.2
93.68878	0.3
96.95872	0.4
98.19814	0.6
101.02341	1.3
101.71849	0.2
111.00787	1.0
113.02351	0.5
117.05498	0.5
121.02808	0.3
128.99162	2.0
129.01816	0.3
129.99489	0.6
130.27298	0.3
141.85750	0.3
161.04468	0.3
165.01868	1.2
173.28804	0.3
176.99548	0.3
191.01927	0.4
193.01445	0.5
203.08231	0.7
204.08611	0.3
211.13347	0.4
215.12781	0.4
218.47128	0.3
227.03514	0.3
241.08650	0.3
243.03088	0.4
269.04663	0.4
271.02484	7.4
271.05463	0.4
272.02859	0.3
281.85455	0.3
285.03979	0.4
293.28754	0.3
299.01926	9.1
300.02582	1.5
314.04297	9.4
315.05014	5.2
315.08444	0.4
316.05771	0.3
327.15991	3.8
328.16531	0.5
449.83923	0.3
453.06448	0.9
472.13483	0.3
473.13226	1.7
481.78448	0.3
533.13110	6.9
533.21179	0.3
533.29694	1.3
534.13519	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0937
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
59.01252	3.3
71.35173	1.4
78.95755	0.7
85.02831	3.7
93.03325	1.5
96.95834	1.1
101.02296	1.1
102.55812	0.7
105.00731	0.7
107.01246	2.2
114.05888	0.7
121.02868	0.8
132.02068	1.0
135.00735	1.5
151.00264	2.1
154.04095	0.7
157.06508	0.8
159.04399	0.9
163.00233	2.3
164.75391	0.6
171.04411	1.5
185.05972	1.9
187.03944	3.1
191.01952	1.6
197.05978	0.8
199.04034	0.9
209.11920	0.9
211.03908	2.5
213.05441	1.0
223.53445	0.7
227.03455	27.2
228.03839	2.4
229.04996	10.2
230.05252	1.3
239.03479	2.6
255.02957	63.5
256.03369	5.8
257.04495	6.0
267.03046	0.9
283.02557	1.1
283.99966	1.6
284.03244	74.7
285.04007	100.0
286.04330	8.0
327.04825	1.0
353.10318	1.8
489.10391	42.8
490.10736	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	532.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	11.0
60.52025	1.2
67.37841	1.0
68.02412	100.0
69.02728	1.2
69.47687	9.2
69.48016	1.9
71.01254	7.1
73.02805	1.6
75.00749	2.4
83.42916	1.1
85.02825	3.4
89.02338	6.3
98.20361	3.2
101.02328	4.4
109.44435	1.2
113.02287	1.5
119.03395	2.7
126.99460	81.8
127.99781	2.4
161.04489	2.0
179.05542	2.2
208.02635	1.2
208.99466	1.8
236.87912	1.1
324.13397	1.2
353.19742	1.6
403.11734	7.3
532.12390	1.2
532.28461	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	532.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13660	3.1
58.02851	14.6
59.01247	4.6
65.16708	2.7
71.57264	6.1
74.02345	24.9
78.95784	7.8
85.02820	4.6
86.02359	10.5
87.05518	5.4
96.95890	3.9
97.03997	4.5
99.05517	24.3
101.02319	4.1
101.07085	6.2
102.05508	4.8
108.02067	8.3
109.03961	7.0
116.30252	3.0
123.05556	3.7
127.04978	3.8
128.03435	74.6
135.05536	6.3
141.06589	7.5
142.47346	3.5
143.04533	88.2
145.06133	4.3
146.04492	5.9
147.04410	10.9
152.01056	13.8
152.99469	5.2
153.01410	10.4
153.06615	5.6
160.00659	19.4
165.61896	3.0
166.09767	3.3
167.04559	6.7
177.03304	10.3
179.04578	17.5
185.05605	5.9
199.34853	3.4
210.08727	19.5
245.85342	3.3
254.07791	37.6
272.08865	55.1
272.18060	3.0
279.10327	4.3
288.06628	14.9
306.07654	100.0
307.07974	5.0
342.80109	3.1
384.99414	6.4
532.18719	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14545	0.8
52.08457	0.7
57.03321	0.8
59.01254	100.0
61.98716	0.9
70.09230	1.9
70.09628	1.3
78.95785	10.0
96.95882	0.7
101.02294	0.7
104.53169	0.7
109.24623	0.7
122.98406	1.1
126.11743	0.7
152.99544	3.9
155.27472	0.7
171.10269	0.9
199.92232	0.8
205.15994	0.9
223.13301	1.0
224.06941	1.5
255.09854	1.5
293.21304	3.7
294.21494	1.9
295.21994	2.5
298.15903	2.2
307.22845	10.8
400.27695	0.8
449.15289	2.3
471.20520	1.4
471.31180	8.0
472.31647	0.9
532.28870	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	531.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.5
57.03325	0.8
58.00478	0.3
59.01250	100.0
60.01583	1.3
61.01645	0.1
61.98714	0.4
65.05739	0.1
69.03313	0.1
71.01254	8.0
71.58572	0.1
72.99187	0.4
73.02817	2.2
75.00739	0.2
83.01259	1.4
84.02050	0.2
85.02825	4.1
85.99947	0.1
87.00751	0.5
89.02322	1.3
95.01274	0.7
96.95897	0.1
97.02821	0.4
99.00751	1.2
101.02325	3.5
101.22512	0.1
103.56445	0.1
108.64586	0.1
111.00769	0.3
113.02329	4.3
114.02675	0.1
117.60500	0.1
119.03384	0.5
125.02382	0.5
128.99158	0.2
134.21400	0.1
143.03365	0.7
152.99438	0.2
159.02937	0.4
161.04468	1.8
171.10245	0.3
179.05550	0.2
182.99420	0.1
183.01103	0.2
197.02785	0.7
198.03496	0.1
209.11836	0.2
299.25995	0.1
313.23761	0.3
325.27350	0.2
327.21857	0.2
327.28983	1.3
441.32446	0.3
471.33240	11.8
472.33597	1.9
489.34323	6.6
490.34695	1.2
529.31348	0.1
531.26306	3.0
531.34863	0.3
532.26660	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.4
57.03325	0.5
59.01251	100.0
60.01593	1.0
69.03333	0.2
69.87469	0.7
71.01255	6.8
72.01597	0.2
72.99203	0.1
73.02821	1.7
75.00716	0.1
78.95802	0.2
83.01250	0.9
85.02822	3.2
85.06506	0.1
86.00018	0.1
86.03172	0.2
87.00764	0.2
88.98692	0.1
89.02314	1.7
95.01273	0.7
97.02831	0.3
99.00748	0.8
101.02328	3.2
101.03001	0.2
111.00777	0.2
113.02325	3.7
114.02706	0.2
119.03383	0.5
125.02375	0.2
143.03429	0.5
152.99524	0.2
159.02928	0.4
161.04469	1.6
166.69092	0.1
184.26147	0.1
197.02791	0.1
263.92126	0.1
311.74951	0.1
323.63007	0.1
325.31653	0.1
327.29135	1.1
328.29489	0.1
441.32428	0.2
471.33249	5.3
472.33527	0.9
489.34326	6.6
490.34583	1.0
531.26965	0.5
531.36066	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3175
Annotation	L-olivosyl-erythronolide B
Peak:m/z	Relative Intensity
57.03330	4.1
59.01250	14.5
70.08141	7.9
71.01254	21.1
71.39093	1.8
72.99165	6.2
73.02824	1.8
73.81958	1.4
75.00747	19.7
78.95762	2.5
85.02821	19.4
87.00729	7.5
89.02313	6.7
95.01263	5.7
99.00745	10.5
101.67068	1.4
103.00243	2.7
110.13091	1.5
113.02329	34.4
117.01808	2.8
121.93369	1.5
125.26768	1.5
129.01808	1.8
151.57846	1.7
175.02406	4.5
194.29750	1.6
205.07179	2.9
228.93564	1.6
244.58885	1.4
249.06212	9.7
267.07236	8.1
279.23315	2.8
281.24850	81.6
282.25262	5.1
513.30988	2.6
531.31726	100.0
532.32111	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33461	2.0
57.03325	2.1
59.01255	13.4
69.39577	14.8
71.01252	17.5
72.99184	7.3
75.00744	21.1
78.95744	1.6
85.02824	18.4
87.00756	5.8
89.02335	3.5
95.01278	4.7
99.00755	11.2
103.00249	2.0
113.02333	30.8
115.00288	2.9
117.01817	2.4
120.91203	1.6
127.95471	1.6
129.01845	2.7
149.08835	1.6
152.99492	2.7
175.02441	3.3
231.05083	4.0
249.06151	23.4
267.07175	3.9
281.24866	97.8
282.25262	8.1
513.30463	2.2
531.31769	100.0
532.32233	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	531.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01312	0.4
57.03311	1.6
58.02838	0.6
59.01245	3.9
61.98693	1.0
69.31840	3.4
71.01252	2.1
72.99167	0.4
73.02809	1.0
74.02343	0.7
75.00734	0.4
78.95770	3.5
79.95603	2.1
84.56474	0.4
85.02827	2.7
86.02364	0.4
89.02308	0.9
96.95888	100.0
96.96777	5.8
97.95813	0.4
98.02358	4.2
98.19847	1.0
98.20522	0.7
98.95431	0.4
99.04397	1.1
99.05515	0.6
99.92471	0.5
101.02319	1.8
109.02823	0.4
111.00758	0.8
113.02328	0.8
116.92738	0.7
117.51630	0.4
121.02808	0.3
125.02325	0.6
128.03439	1.9
129.01859	0.7
139.09908	0.3
143.04536	2.4
172.96828	0.4
179.04446	0.5
191.01886	1.1
209.02850	0.6
210.08852	0.5
254.07802	1.4
259.13528	0.4
268.04001	0.4
272.08957	1.5
284.03146	0.5
387.20480	0.6
471.19220	0.4
531.21014	0.7
531.27954	2.1
532.23535	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	531.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	1.0
59.01247	14.3
65.87836	0.2
71.01254	5.5
71.57967	0.4
71.89256	0.3
73.02806	0.7
80.71089	0.3
83.01227	0.6
83.04906	0.4
85.02824	1.5
87.00747	0.9
89.02312	5.2
95.01230	0.3
97.06493	0.3
99.00734	0.5
101.02325	5.8
104.78839	0.3
113.02318	2.9
113.09615	1.3
119.03387	1.3
131.03407	0.3
143.03374	0.5
160.14580	0.2
161.04463	2.6
161.05678	0.4
169.86472	0.3
177.12787	0.6
179.05540	0.9
179.14345	0.8
181.12309	0.5
195.13826	14.0
196.14197	1.1
253.09258	24.5
254.09618	1.3
260.52966	0.3
267.01776	0.4
277.21719	13.5
278.22070	1.4
293.21198	0.5
294.21436	0.3
295.22772	100.0
296.23126	10.5
451.50058	0.3
471.33191	0.6
489.34518	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.6
58.00460	0.5
59.01250	26.1
60.60334	0.3
71.00885	0.6
71.01254	6.9
71.57705	0.5
72.29168	0.3
72.99194	0.4
73.02815	1.0
83.01261	1.0
85.02816	1.6
87.00751	0.8
89.02316	5.4
91.03892	0.3
95.01253	0.3
95.98440	0.4
96.95860	0.6
97.02881	0.4
99.00732	0.6
101.02324	6.8
109.26133	0.3
113.02336	4.2
113.09590	1.6
119.03391	1.3
122.29812	0.3
126.99454	0.5
143.03416	0.7
161.04457	3.4
171.10187	0.8
179.05540	1.4
179.14343	0.8
181.12251	0.5
195.13838	12.7
196.14240	0.9
233.00026	0.3
235.07959	0.4
253.09259	26.8
254.09656	1.4
277.21735	13.0
278.22043	1.4
293.21207	0.8
294.21503	1.1
295.22775	100.0
296.23129	10.7
377.82477	0.3
471.33139	1.8
489.34601	1.7
490.34851	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44674	0.5
59.01252	5.8
62.42048	0.5
62.78126	0.6
63.91466	0.7
65.95602	0.5
71.01249	3.7
71.04891	0.8
71.57019	0.9
73.02811	1.9
78.95785	3.3
80.86858	0.5
85.02821	1.0
97.06459	1.3
99.00751	0.7
101.02297	1.7
103.06258	0.5
113.02338	1.5
121.06453	1.3
125.09592	0.6
131.05026	0.5
135.04398	7.5
147.46710	0.6
147.91743	0.5
149.05910	0.6
152.99522	2.6
159.04381	2.9
161.09718	0.5
166.01268	0.5
171.08095	1.2
171.10168	0.9
173.06126	0.7
174.06786	22.6
175.07370	1.3
176.00847	0.5
185.11758	1.0
187.07651	0.6
188.06752	0.8
188.08360	13.3
189.09145	24.5
190.09517	1.3
202.09949	0.7
203.10663	0.6
209.11789	0.7
211.13327	0.9
226.44341	0.6
228.11525	1.9
235.13358	1.0
241.12244	0.6
242.13100	3.3
243.13861	3.4
244.14508	0.7
289.18100	1.1
291.19614	1.4
299.16431	0.6
307.19214	0.6
309.20621	1.3
310.11868	65.2
311.12177	4.0
325.14197	100.0
326.14569	7.2
328.12045	1.2
343.14267	1.0
369.12598	2.8
471.25876	1.5
489.27051	1.8
531.18481	8.1
531.28046	11.4
532.26361	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62648	0.5
57.19231	0.5
63.97344	0.5
71.01257	1.8
71.54002	0.5
71.56148	1.1
72.99171	1.0
73.02805	0.8
74.02353	1.3
78.95786	1.7
84.43886	0.5
85.02825	3.4
86.72489	0.5
87.00766	0.6
89.02273	0.8
92.04726	0.5
95.01259	0.7
96.95880	1.7
99.00777	0.9
99.05544	1.4
101.02320	1.3
101.05962	20.7
108.02053	56.3
109.02873	7.4
113.02340	1.6
121.02892	0.6
123.00825	0.6
128.03436	2.5
129.01857	0.6
129.87578	0.6
135.04469	0.6
143.04547	3.4
152.01059	100.0
152.99579	0.6
153.01674	4.7
160.00552	0.6
163.03894	3.5
166.09776	0.6
175.03995	0.6
177.01865	0.9
207.02988	0.8
210.08713	0.9
248.61343	0.5
254.07758	1.2
272.08948	1.9
297.06332	0.9
306.07700	4.3
403.43817	0.5
429.10309	12.5
430.10947	1.3
447.11325	0.5
531.17157	91.0
532.17542	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	530.302
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30835	0.8
57.75025	0.6
62.96257	0.7
69.37811	2.2
69.38227	4.6
78.95778	21.0
96.95906	3.6
96.96880	0.8
98.19762	1.2
147.94128	0.7
152.99503	5.7
168.04218	2.3
199.84567	0.8
224.06879	7.5
242.07990	2.2
255.23274	100.0
256.23666	7.0
279.23337	1.3
280.23676	1.2
480.30948	54.2
481.31326	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	530.279
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11271	0.5
57.03317	1.5
59.01249	31.0
60.01563	1.2
61.01663	0.7
61.98726	0.7
66.17490	0.5
68.02415	0.7
69.03330	2.6
69.87389	2.2
71.01259	2.4
71.04865	0.8
73.02819	1.1
83.01252	0.7
85.02817	1.3
85.06460	0.8
86.55357	0.5
89.02335	0.7
95.04935	0.6
96.93866	0.6
98.20510	1.0
99.92453	0.7
101.02309	1.2
102.05587	0.5
111.76297	0.5
113.02314	0.8
167.10687	4.3
179.10612	1.3
179.14314	2.8
195.12076	0.5
195.13852	10.3
196.14282	1.0
197.11676	0.6
205.12256	9.8
209.15500	0.8
210.15701	0.6
223.13342	100.0
224.13670	7.8
253.09285	1.5
275.20081	0.9
276.20529	1.6
283.22876	0.6
293.21103	3.0
294.21521	4.4
295.22177	0.6
434.93329	0.5
471.33038	2.9
488.32086	0.6
489.34406	0.7
530.27173	2.0
531.25879	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75780	0.4
55.89537	0.4
56.14629	0.4
57.66544	0.4
61.98702	6.4
64.73197	0.4
70.14169	0.4
71.57986	0.6
78.95771	7.0
91.07878	0.4
96.95889	0.5
112.59560	0.4
125.18690	0.4
152.99503	4.9
168.04199	1.1
185.18213	0.4
196.89445	0.6
210.73140	0.4
224.06996	0.6
242.07948	1.9
255.23270	100.0
256.23621	6.9
276.16025	0.4
277.21719	5.9
278.22128	1.1
279.23181	0.8
331.59210	0.5
360.33267	0.4
362.19196	0.5
445.23706	1.0
480.30960	29.3
481.31100	3.4
530.21448	0.7
530.28766	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19273	0.2
55.01755	0.5
55.54108	0.3
57.03313	0.8
59.01250	100.0
59.29853	0.2
60.01582	1.3
69.03326	0.2
71.01252	7.6
73.02820	1.6
78.95795	0.3
83.01245	1.1
85.02826	3.8
87.00750	0.4
89.02322	1.7
95.01280	0.7
98.20623	0.6
99.00774	0.5
101.02319	3.6
111.00813	0.2
113.02328	3.7
115.20118	0.3
125.02359	0.4
126.99466	0.8
143.03476	0.6
146.82610	0.2
159.02951	0.2
160.27193	0.2
161.04468	1.6
171.10277	0.3
175.48410	0.2
183.13898	0.9
197.11803	0.3
202.97861	0.2
209.11880	0.4
209.15413	1.9
253.09227	1.8
275.20172	1.6
293.21207	4.5
294.21536	0.4
313.18076	0.3
325.27432	1.7
331.19131	1.5
416.07263	0.3
429.39139	0.2
454.58817	0.3
469.31665	6.5
469.38000	0.3
470.32385	1.1
485.27872	0.3
487.32788	6.0
488.33420	1.2
493.24457	1.2
529.30377	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	1.2
59.01254	7.1
71.01251	7.7
72.85401	0.7
72.99165	3.9
75.00757	11.3
78.95769	3.6
85.02821	10.5
87.00784	4.4
89.02322	1.8
95.01259	3.1
98.19737	1.9
99.00746	6.5
103.00194	1.0
110.98406	1.6
112.27252	0.8
113.02339	14.3
115.00236	1.1
117.01810	1.4
118.26710	0.9
152.99413	1.2
167.01070	1.1
175.02402	1.5
181.21146	0.8
185.02129	1.7
205.07120	1.0
229.68799	1.4
231.05061	2.4
249.06125	15.5
255.23254	1.3
267.07220	3.5
277.21667	1.0
279.23288	100.0
280.23691	5.9
306.25134	1.2
346.12228	0.8
447.25238	10.1
448.25549	1.0
461.18289	1.0
469.28592	1.0
511.29025	2.4
529.30212	56.7
530.30280	4.0
531.05640	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3019
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
55.01737	1.4
57.03322	3.4
59.01257	16.4
67.01759	1.2
69.45396	11.6
71.01256	18.9
72.99171	4.8
73.02821	1.5
75.00745	18.5
78.95779	9.8
85.02830	27.5
87.00747	7.1
89.02306	5.3
95.01266	6.9
99.00761	13.5
103.00232	3.5
104.91307	1.3
113.02332	36.3
117.01807	2.6
129.01797	1.7
152.99464	5.5
161.05751	1.3
164.92464	1.4
168.04178	1.6
175.02408	5.2
185.05409	1.2
205.07208	2.5
224.06892	4.1
249.06139	7.6
255.23276	51.5
267.07187	10.0
277.21844	1.3
279.23285	80.3
280.23663	5.0
294.44080	1.3
445.18906	1.6
480.30920	32.7
511.28845	2.7
529.30188	100.0
530.30457	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	529.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.5
59.01250	16.2
71.01255	9.2
71.04485	1.4
71.04893	1.5
72.99190	0.8
73.02821	2.1
77.27436	0.5
82.54198	0.5
83.01271	1.4
83.04902	0.8
85.02821	2.3
87.00733	1.3
89.02312	9.1
94.29469	0.6
95.01277	0.7
96.42436	0.5
99.00737	0.6
101.02320	10.5
103.97530	0.5
113.02338	4.4
116.43910	0.5
119.03383	2.0
135.11745	0.6
143.03381	0.9
157.08577	0.9
161.04440	4.2
167.74724	0.5
179.05521	1.6
185.02736	0.5
191.18005	0.5
199.42308	0.5
209.15379	1.1
223.13460	1.2
231.21155	2.3
233.15431	0.6
235.08195	1.5
235.16992	51.2
236.17322	3.9
237.18661	0.6
253.09259	42.0
254.09596	1.9
275.20142	64.2
276.20453	6.3
293.21219	100.0
294.21579	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	529.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.4
57.03324	0.5
58.00471	0.4
58.73935	0.2
59.01250	8.8
59.79550	0.2
69.03325	0.3
69.31784	1.6
71.01250	5.3
72.01639	0.2
72.99165	0.3
73.02819	0.9
78.05639	0.2
83.01261	0.5
85.02814	1.5
87.00732	1.0
89.02319	6.0
95.01257	0.5
99.00790	0.3
101.02320	6.3
102.03148	0.2
111.08051	0.4
113.02336	3.0
119.03384	1.8
131.03447	0.3
143.03423	0.7
161.04469	3.6
161.05786	0.2
167.10677	0.4
177.12845	0.2
179.05540	1.4
179.14328	0.9
181.12376	0.2
187.06108	0.2
195.13849	9.0
196.14441	1.2
202.96460	0.2
205.12318	0.6
205.16011	0.5
211.13358	0.6
223.13351	6.3
224.13634	0.4
228.13666	0.6
231.21170	0.3
235.08151	0.3
246.70996	0.2
253.09268	29.5
254.09595	1.3
256.13135	1.6
265.21680	0.5
275.20148	5.5
276.20444	0.5
293.21219	100.0
294.21564	10.1
294.24149	0.2
406.73111	0.2
440.24252	0.2
447.13391	0.5
486.87204	0.2
492.22000	0.6
502.04614	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46062	0.6
59.01246	2.1
72.24809	0.5
78.95780	8.0
96.95908	4.3
98.19759	1.3
110.98416	5.2
120.61005	0.4
152.99500	2.3
154.46483	0.5
167.01068	3.7
185.02168	3.7
229.46075	0.7
243.50237	0.6
263.90894	0.5
275.93076	0.6
279.23282	100.0
280.23590	8.8
281.03802	0.6
304.28598	0.5
353.95569	0.7
397.92462	0.5
447.25122	19.8
448.25345	2.1
529.23950	1.3
529.31030	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16206	0.2
55.01734	0.5
56.14458	0.3
57.03305	0.6
59.00949	0.5
59.01248	9.2
60.47342	0.3
69.03308	0.2
69.46702	0.4
69.47105	2.0
71.00888	0.5
71.01253	6.7
72.99155	0.3
73.02811	1.2
83.01260	0.7
85.02814	1.6
87.00741	1.0
89.02314	7.3
91.32819	0.2
95.01289	0.3
95.04920	0.3
98.20582	0.6
99.00758	0.5
101.02325	6.9
111.08043	0.4
113.01598	0.5
113.02331	4.3
113.09634	0.4
114.02627	0.3
119.03398	1.4
125.02335	0.3
143.03374	0.6
149.04420	0.3
161.04485	3.7
179.05547	1.1
179.10661	0.4
179.14355	1.0
181.12184	0.4
195.13838	11.3
196.14415	1.6
197.15071	0.3
205.12192	0.6
205.15877	0.6
223.13345	7.5
224.13835	0.6
228.13644	1.0
231.21274	0.4
239.12968	0.3
253.09262	28.4
254.09583	1.2
256.13275	1.5
265.21671	0.4
275.20160	5.9
276.20453	0.6
293.21216	100.0
294.21542	9.3
313.33237	0.3
354.47742	0.3
492.22006	0.4
545.74695	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49471	1.0
59.01253	1.7
59.24058	1.0
68.61749	1.0
68.75542	1.2
71.01231	1.3
71.18128	2.6
74.58657	1.1
78.95776	76.8
86.33182	1.0
91.37978	1.1
96.96839	15.6
152.99492	86.8
153.99805	1.7
171.00557	1.4
178.15765	1.0
183.13834	17.5
195.13866	17.5
213.14902	85.0
214.15273	4.0
223.00058	1.5
240.98735	2.4
241.01152	36.9
247.89403	1.1
276.31183	1.1
315.04825	7.7
332.43088	1.2
349.14099	6.4
367.15237	7.1
410.61908	1.2
501.16611	1.4
518.63696	1.3
529.20538	100.0
530.21094	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65382	1.3
50.68158	1.1
59.01247	3.0
69.38203	9.0
69.38622	2.4
71.01231	1.9
78.95778	60.8
89.02261	1.4
96.96850	13.4
98.19814	1.9
100.70386	1.3
152.99496	100.0
171.00545	3.7
183.13829	21.1
188.85701	1.3
195.13857	23.0
205.79712	1.5
213.14906	96.8
214.15222	5.4
223.00162	7.9
241.01138	26.4
248.57242	1.2
259.02322	1.4
315.04953	13.2
315.87598	1.4
529.20544	96.7
530.20593	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	529.196
Annotation	Colabomycin A
Peak:m/z	Relative Intensity
51.59407	0.4
52.61275	0.3
56.74260	0.4
58.14290	0.4
59.01233	1.2
60.63134	0.4
63.96104	1.2
69.03315	0.4
69.29423	3.9
71.01252	7.7
72.99178	0.4
73.02827	1.2
78.98464	5.1
79.95601	8.9
80.16005	0.4
80.96390	59.1
81.03294	0.7
81.96346	0.5
82.44143	0.4
85.02821	3.7
87.00739	2.7
88.93375	0.4
89.02363	0.5
89.30723	0.5
94.97964	12.9
94.98569	0.8
95.01257	0.5
96.95873	2.0
97.02830	1.5
98.19710	1.0
99.00769	0.5
99.04370	0.4
101.02312	2.5
106.97948	3.1
111.00744	1.4
122.97465	2.8
125.02308	3.0
134.97458	4.7
136.99033	1.5
148.99034	5.4
152.98553	5.2
164.98544	11.3
206.99629	1.9
212.53706	0.5
225.00699	16.9
229.14479	2.3
299.04440	3.2
320.55396	0.5
529.19580	100.0
530.19916	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	529.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	0.4
63.38936	0.2
71.28733	0.3
71.29044	0.3
72.62413	0.2
74.26630	0.2
78.95779	10.2
79.95618	2.4
80.60375	0.2
96.95892	100.0
107.08199	0.2
135.44203	0.3
138.99236	0.2
142.44527	0.2
150.97920	0.5
152.99490	12.2
153.99863	0.3
171.00511	0.3
176.85765	0.2
178.94171	0.3
185.17432	0.2
194.89983	2.4
194.93726	1.1
206.13142	0.2
268.80997	0.2
268.97397	1.4
277.21634	1.3
278.22101	0.5
279.22620	0.2
346.10559	0.3
357.55847	0.2
393.89075	0.2
431.22067	2.4
432.22412	0.4
455.15088	0.5
529.28967	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04992	0.6
57.03324	1.2
59.01255	21.5
61.98708	1.0
66.71567	0.6
69.79369	4.0
71.01237	1.3
78.95781	33.4
85.02827	0.9
90.40561	0.6
96.95898	1.1
96.96825	1.1
110.79671	0.6
121.18346	0.8
122.98392	1.3
124.99969	2.5
125.09611	2.4
127.11173	3.3
129.89690	0.6
132.03395	0.7
152.99492	19.3
153.99887	0.9
155.14331	1.9
165.12793	1.1
167.14297	1.5
168.04251	5.1
171.10179	5.6
180.01907	1.2
183.10237	0.6
183.13829	0.8
183.81827	0.9
185.11801	1.0
209.11768	3.4
211.13326	7.9
224.06870	8.5
229.14417	100.0
230.14735	5.3
242.07892	3.2
243.15965	9.7
243.18311	1.0
244.16180	0.6
383.14731	15.8
384.15033	1.0
409.16345	1.7
454.22128	65.0
455.22467	6.1
468.23685	10.7
469.24072	0.9
523.80103	0.9
528.22632	0.7
528.32001	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40866	1.2
51.29752	1.1
51.73117	1.5
57.03311	2.5
59.01258	20.7
61.98706	3.2
65.00635	1.1
68.77900	1.4
69.51268	11.0
78.95779	21.5
85.14912	1.2
93.03325	1.4
96.95850	1.6
96.96835	5.6
110.40075	1.1
122.21823	1.3
122.98363	1.5
123.59325	1.5
125.09606	2.3
127.11159	1.5
138.05498	3.1
151.11229	3.0
152.99501	14.0
168.04210	2.2
169.12260	9.5
171.10143	5.2
183.13878	1.5
185.11736	3.5
209.11821	1.8
211.13351	10.5
213.11261	2.9
224.06828	1.6
229.14423	100.0
230.14761	5.6
241.01051	1.8
242.07994	3.4
243.15973	11.2
252.77924	1.4
309.74118	1.3
383.14679	12.4
409.16296	1.8
454.22092	43.7
455.22485	5.0
468.23987	6.3
513.84558	1.3
518.91193	1.5
528.30194	2.3
529.16486	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	528.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20035	0.4
51.26405	0.4
57.03310	0.8
59.01255	14.6
69.75529	2.5
73.32764	0.4
78.95782	7.3
83.04893	0.5
85.02826	0.5
96.96858	0.7
125.09623	1.9
127.11176	3.0
137.53397	0.4
140.57788	0.4
152.99486	3.4
155.14339	0.6
165.12761	0.7
167.14339	1.7
168.04222	1.9
171.10204	2.7
183.13841	1.0
193.12195	0.8
209.11754	3.2
211.11452	0.7
211.13353	8.1
224.06909	0.7
229.14417	100.0
230.14754	5.2
242.08022	3.1
350.28174	0.4
382.76801	0.5
383.14664	1.0
422.78659	0.5
454.22131	55.2
455.22427	6.1
516.75714	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.3
57.20091	0.7
59.01253	19.1
61.98703	3.4
62.09137	0.7
65.64867	0.7
69.50057	3.6
69.50485	2.3
71.01235	1.0
78.84245	0.6
78.95779	23.2
85.02821	0.9
96.95876	1.0
96.96831	1.2
97.06412	0.8
119.54290	0.6
120.01142	1.2
122.98408	1.0
125.09621	2.7
127.11179	4.0
152.99475	9.9
155.14342	1.6
165.12830	1.1
168.04161	3.3
169.12202	2.0
181.12228	0.9
183.13892	0.9
185.11766	1.0
209.11810	2.1
211.13365	7.5
211.80905	0.7
224.06895	6.7
229.14409	100.0
230.14821	4.5
242.01245	0.7
242.07942	2.1
243.16075	1.5
383.14771	8.9
454.22095	67.0
455.22623	5.0
529.18994	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	17.2
61.98694	7.8
67.09250	2.0
69.31601	16.6
69.32014	3.7
78.95781	16.1
81.66188	1.8
85.02838	2.1
92.25560	1.9
94.39687	2.0
96.19138	2.0
96.95855	3.0
118.14229	2.1
125.09616	3.6
127.11159	3.6
128.03401	2.2
140.58789	1.8
152.99486	9.4
168.04225	2.9
168.38762	2.1
209.11786	3.6
211.13329	6.0
229.14417	100.0
230.14783	3.7
242.07925	2.3
383.15018	5.1
422.15903	2.7
454.22107	38.8
455.22253	4.2
528.20453	3.8
528.29999	2.5
529.19421	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	3.5
60.22060	0.4
61.98700	4.4
68.98435	0.4
69.49554	3.2
71.01247	1.3
72.99180	3.1
74.02317	0.5
75.00744	100.0
76.00272	1.1
76.01065	1.3
79.95625	0.6
80.14429	0.5
80.96390	3.3
81.03324	1.2
82.02056	0.4
83.01244	0.4
83.04902	4.0
85.02819	2.3
94.97945	0.6
98.02357	0.9
101.02335	0.4
105.35531	0.4
108.04471	0.5
120.01126	2.2
125.07145	0.6
134.71791	0.4
164.98593	0.6
191.01921	0.9
193.80035	0.4
198.71234	0.4
209.02916	1.1
224.17668	1.1
225.00740	1.2
225.16061	1.2
257.12717	0.4
333.22986	1.5
340.25784	0.8
351.23880	0.9
404.29404	0.6
408.61301	0.4
420.28558	0.4
423.29932	0.5
447.29892	0.7
449.31360	4.6
450.31729	0.8
451.33054	1.3
465.30954	0.6
467.32346	28.6
468.32736	4.8
527.18030	5.6
527.31726	1.0
528.18365	0.9
528.31366	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.0
56.99714	0.2
57.03315	1.2
58.00469	0.4
58.45879	0.2
59.01251	100.0
60.01580	1.3
61.01690	0.3
69.03310	0.3
69.86679	1.0
71.01254	18.1
72.01601	0.4
72.99182	0.7
73.02822	6.1
73.03244	0.3
75.00751	0.3
81.03316	0.2
83.01256	2.1
85.02824	6.5
87.00768	1.4
87.04414	0.8
89.02318	5.8
89.94448	0.2
93.01208	0.2
95.01269	1.5
97.02838	0.8
99.00767	2.4
101.02325	11.5
102.02634	0.2
111.00776	1.2
112.01574	0.2
113.02332	9.5
114.02692	0.4
119.03384	2.1
125.00916	0.2
125.02357	1.0
125.09635	0.4
131.03459	0.2
143.03410	1.5
155.10722	1.0
159.02927	0.9
161.04471	5.8
162.04790	0.2
162.95300	0.4
169.12245	0.3
171.10153	0.2
179.05566	0.8
181.12320	0.3
197.11879	0.2
201.11290	0.2
209.11789	0.5
225.11275	0.5
244.62064	0.2
253.09380	0.2
291.19696	0.7
323.25906	1.3
363.68451	0.2
397.26093	0.5
449.29272	0.2
467.25311	0.1
467.30127	10.3
468.30389	1.4
485.31161	13.3
486.31586	2.5
527.28674	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37842	0.4
55.01762	0.6
57.03326	1.2
59.01249	100.0
60.01584	0.9
65.17377	0.4
66.34011	0.3
69.28294	4.1
71.01254	12.7
72.99181	0.7
73.02821	3.6
78.95752	0.5
83.01267	1.6
85.02826	5.7
87.00780	1.2
87.04392	2.0
89.02321	3.7
95.01264	1.3
97.02859	0.9
99.00765	2.2
101.02324	9.9
101.05969	2.7
109.01679	0.4
111.00760	0.7
113.02333	7.2
119.03421	1.3
119.23968	0.4
124.18432	0.4
125.02358	1.2
129.90215	0.5
131.03506	0.5
132.09497	0.5
142.56201	0.4
143.03392	0.8
161.04437	3.9
171.10223	1.0
179.05522	0.5
209.11887	0.6
225.11230	0.5
291.19611	0.5
295.02078	0.5
323.25867	2.4
365.27167	0.6
467.30099	14.2
468.30789	1.6
485.31201	10.7
486.31894	1.9
532.67419	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38915	0.1
55.01758	0.5
57.03328	0.7
58.00467	0.2
59.01250	100.0
60.01588	1.3
69.03337	0.2
69.27730	1.4
69.28150	0.2
69.28275	0.1
71.01251	10.1
72.01624	0.3
72.99188	0.3
73.02817	2.4
75.00723	0.1
83.01257	1.1
85.02822	5.4
87.00768	0.4
87.04400	0.5
89.02318	2.4
95.01270	1.2
97.02822	0.3
98.19938	0.5
99.00753	1.3
101.02321	3.8
112.01531	0.2
113.02327	8.7
119.03411	0.7
121.79641	0.1
125.02332	0.2
125.09670	0.2
131.03407	0.2
137.09593	0.2
142.90012	0.1
143.03432	0.7
155.10681	1.1
159.02942	0.4
161.04466	3.3
162.04857	0.1
165.12778	0.2
171.10213	0.6
179.05603	0.1
199.13321	0.3
201.11362	0.2
207.10201	0.2
209.11823	0.6
225.11316	0.6
227.12863	0.2
247.20607	0.2
253.09395	0.2
278.02243	0.1
291.19641	1.0
317.16049	0.2
323.25967	0.3
341.50845	0.1
390.32043	0.1
403.79105	0.1
467.30139	6.4
468.30603	1.3
485.31171	2.8
486.31781	0.6
527.28723	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.7
57.03330	0.9
58.00459	0.2
59.01250	100.0
59.65176	0.2
60.01587	1.1
69.77687	1.1
71.01252	10.4
71.59740	0.2
72.99183	0.2
73.02821	2.8
83.01254	1.5
85.02821	5.4
86.03139	0.2
87.00755	0.6
87.04397	1.6
89.02316	1.4
95.01278	1.2
97.02834	0.3
98.19727	0.2
98.20295	0.5
99.00754	1.6
101.02324	4.5
103.40622	0.2
109.06441	0.2
111.00797	0.2
113.02329	7.5
120.10408	0.2
122.70473	0.2
125.02375	0.5
127.29140	0.2
127.83100	0.2
143.03368	0.9
159.02951	0.6
161.04453	4.1
163.11142	0.3
171.10236	0.3
181.12289	0.5
199.13341	0.3
207.10262	0.4
209.11827	0.8
211.13362	0.4
219.59514	0.2
225.11232	1.0
227.12820	0.3
233.11568	0.8
243.12335	0.3
291.19769	0.7
323.26019	0.6
467.30130	9.8
468.30487	1.9
485.31180	6.9
486.31436	1.1
527.29254	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54696	0.2
54.07564	0.1
55.01743	0.3
56.04789	0.2
57.03322	0.8
58.00455	0.2
59.01249	100.0
60.01587	1.2
61.98738	0.2
65.05354	0.2
68.87017	0.1
69.03342	0.3
71.01253	10.9
71.57805	0.3
72.01603	0.3
72.99191	0.3
73.02820	3.2
75.00737	0.2
78.95782	0.3
80.96392	0.2
83.01253	1.7
83.04900	0.2
85.02824	4.6
87.00767	0.6
87.04428	0.4
89.02319	3.0
92.72521	0.2
95.01271	1.3
95.04903	0.2
96.95921	0.2
97.02828	0.4
99.00729	1.1
101.02323	5.0
111.00826	0.4
113.02323	9.6
114.02618	0.2
119.03422	0.7
125.02402	0.3
125.09588	0.2
131.03406	0.2
143.03448	0.6
155.10634	0.8
159.02972	0.5
160.33629	0.2
161.04456	2.9
163.11238	0.3
171.10211	0.8
179.05627	0.4
181.12288	0.5
185.11801	0.2
185.96661	0.2
199.13380	0.4
201.11255	0.3
207.10271	0.5
209.11781	1.3
225.11217	0.9
227.12891	0.6
243.12350	0.3
265.49823	0.2
291.19769	0.5
293.36874	0.2
298.44833	0.2
323.25919	0.4
349.84610	0.2
467.30115	6.4
468.30481	1.0
485.31146	3.3
486.31851	0.4
527.28107	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.2
57.03323	1.3
58.00473	0.4
59.01250	100.0
59.31308	0.4
60.01588	1.2
67.38082	0.4
69.03313	0.8
71.01250	14.0
71.57926	0.6
72.99177	1.0
73.02819	3.9
78.95757	2.9
80.96396	1.0
83.01260	3.5
85.02824	7.5
87.00769	1.5
89.02308	2.8
93.03346	0.8
93.39842	0.5
94.43976	0.4
95.01271	1.7
95.04894	0.6
96.95907	0.7
97.02840	1.1
99.00778	1.9
101.02322	8.8
110.98430	1.0
111.00774	1.0
112.93629	1.7
113.02332	11.3
113.06006	0.8
119.03414	1.6
125.02338	0.8
125.09652	0.6
131.03322	0.5
131.04929	0.5
134.02744	0.4
135.49310	0.4
143.03424	1.7
152.99516	0.4
159.02954	0.7
160.95673	0.6
161.04463	3.1
162.95280	4.1
163.11256	0.5
167.01047	0.8
171.10167	6.9
172.10587	0.4
179.05594	0.5
185.02196	0.6
185.11823	0.4
198.16376	0.4
199.09691	1.1
201.11322	0.6
207.10292	1.7
209.11789	2.6
225.11356	1.6
227.12865	1.1
230.11472	0.5
253.09361	1.5
291.19800	1.6
312.09924	0.6
323.26202	0.6
339.12189	1.2
348.15897	0.7
353.23318	0.5
374.21481	0.8
397.26019	0.9
449.29089	0.8
467.30124	16.1
468.30502	2.7
484.24805	0.7
485.31216	15.7
485.38165	0.8
486.31558	2.7
510.22751	0.7
527.29303	1.9
528.23602	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	527.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08775	57.6
54.19585	58.6
59.01227	81.4
70.62993	67.8
71.57952	89.8
102.90952	61.3
104.75581	55.3
106.69777	56.6
133.96588	65.1
143.30501	72.6
170.94722	61.8
255.23335	100.0
318.99988	74.6
380.21503	68.6
527.30927	92.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99954	1.6
56.88738	1.7
57.03306	2.1
59.01245	18.4
60.19243	1.9
63.47329	1.7
68.02414	8.4
71.01250	26.3
71.58086	2.4
72.99167	7.2
73.02792	2.3
75.00745	22.9
76.75313	1.6
78.95755	5.2
80.09090	1.8
85.02826	34.2
87.00755	8.7
89.02297	7.3
95.01265	7.8
99.00766	13.0
103.00261	3.7
111.00793	1.8
113.02333	40.5
115.00285	2.9
117.01828	3.6
126.99441	9.3
129.01805	2.5
152.08154	7.3
152.99487	8.0
153.08569	2.7
159.78381	1.8
175.02367	4.1
205.07042	3.1
236.13963	3.8
243.58679	1.6
249.06110	8.8
267.07129	8.6
277.21707	79.6
278.22040	4.6
303.12140	2.2
311.16806	2.4
411.57532	1.9
509.27689	3.0
527.28571	100.0
528.29041	14.0
548.36395	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	527.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.0
57.03322	2.0
59.01247	14.5
63.86109	0.7
67.01777	1.0
68.99693	1.7
69.03316	0.8
69.06077	0.7
71.00883	1.4
71.01252	16.2
72.99171	5.7
73.02820	1.4
75.00744	20.2
78.95780	3.6
83.01254	1.5
83.04892	0.8
85.02820	20.7
87.00758	7.0
89.02345	3.9
89.62563	0.7
93.03345	1.0
95.01280	4.4
99.00756	10.4
103.00243	2.2
110.98386	1.6
111.00776	1.1
113.02325	25.6
114.02651	1.1
115.00218	1.9
116.62516	0.8
117.01827	3.5
129.01846	1.3
167.01024	1.1
171.10120	0.9
175.02393	4.0
185.02110	1.6
201.11232	1.5
201.13287	0.7
205.07108	1.1
230.50983	1.0
231.05048	2.7
249.03542	1.2
249.06129	22.4
250.06604	1.2
267.07199	3.0
277.21707	100.0
278.22076	9.2
325.18106	1.2
370.06696	0.7
445.23471	7.8
509.27625	3.0
527.28595	78.5
528.28931	11.9
544.78229	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33811	0.6
56.06771	0.7
56.68793	0.8
59.01257	3.3
61.89069	0.6
71.01252	1.8
75.00734	2.0
75.84080	0.6
78.95778	8.8
85.02831	2.0
87.00736	1.6
88.67506	0.7
89.02298	0.7
110.98405	6.2
113.02335	2.5
121.02843	1.8
127.40094	0.8
152.99478	0.8
167.01088	4.5
169.24094	0.7
185.02127	4.2
209.04620	0.9
233.22588	1.1
249.06203	1.9
259.20261	0.7
269.17471	0.7
277.21722	100.0
278.22046	6.7
445.23627	24.5
446.23828	2.1
451.21335	0.9
527.28955	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01727	1.1
57.03314	4.5
58.00478	1.8
58.96899	0.9
59.01249	45.6
61.98671	1.0
69.03305	1.7
71.01249	47.2
71.04897	0.9
71.57787	1.0
72.99178	3.4
73.02819	11.7
78.95772	5.0
83.01247	4.9
85.02826	18.0
87.00754	2.9
89.02312	31.6
93.03337	4.3
95.01286	2.3
96.95901	2.9
97.02833	2.2
99.00764	4.4
101.02322	31.0
102.41152	0.9
111.00756	7.8
113.02331	12.9
119.03378	3.8
125.02316	6.1
130.77013	0.9
131.03394	14.0
133.07661	1.0
135.04466	1.1
137.02328	3.9
143.03436	2.4
149.04456	14.4
153.16547	1.2
158.17664	0.9
159.02849	1.8
161.04462	5.1
171.10188	1.9
185.11609	1.1
191.05533	4.5
209.11746	3.2
215.04597	1.1
229.05988	1.2
233.06572	4.1
257.05627	4.9
293.08835	5.3
297.05112	1.3
313.08310	16.8
314.08548	1.8
317.19769	1.5
327.21481	1.0
335.20688	15.2
336.21301	1.2
348.09991	1.2
357.06818	2.2
389.09778	7.0
467.24936	100.0
468.25143	15.1
494.41589	1.2
527.20819	4.3
527.28510	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	527.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.9
70.15408	2.1
71.01231	1.0
75.00764	0.7
77.48759	0.5
78.95779	8.4
85.02818	1.2
103.39970	0.4
103.88915	0.5
105.57307	0.4
110.98407	5.1
113.02320	1.8
152.99472	1.5
167.01103	3.2
185.02150	4.2
203.02048	0.5
224.06761	0.4
253.21768	1.0
267.07303	0.7
277.21722	100.0
278.22049	6.1
407.43024	0.5
409.06842	0.4
445.23621	19.8
446.23846	1.8
478.29605	1.0
527.29407	3.2
528.29077	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.1
60.54847	0.4
64.28278	0.4
71.01279	0.5
71.15758	0.9
78.95784	8.9
87.00740	0.7
110.98428	5.6
118.75604	0.4
152.99469	0.8
157.73474	0.4
167.01059	5.1
185.02141	4.9
233.22742	0.6
245.83673	0.5
259.20706	0.5
277.21725	100.0
278.22064	6.5
338.72705	0.6
445.23624	24.2
446.24014	2.5
527.22406	1.1
540.61945	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.5
59.01244	1.8
61.98705	0.9
71.01249	0.9
71.49498	0.8
72.99179	1.5
74.02316	0.5
75.00737	1.2
78.95774	0.7
78.98502	0.5
79.95612	0.9
80.96382	3.5
81.03333	0.6
82.02853	1.4
84.04435	2.3
85.02824	2.3
94.97989	0.8
95.01286	0.4
96.95881	1.1
97.67435	0.4
98.02306	0.4
101.02332	0.7
106.98038	0.5
108.02051	20.8
109.02849	8.1
110.94521	0.4
111.00767	1.3
116.03395	0.5
120.01116	0.8
121.02901	0.8
122.03618	0.6
123.00790	3.6
123.04412	23.1
124.01578	2.8
124.04745	0.8
127.05026	0.6
128.03424	5.3
128.10706	1.0
133.04961	7.4
134.02374	0.8
134.03531	0.5
135.04395	2.0
141.10245	0.6
148.03952	1.7
148.99078	0.4
150.05443	0.6
151.02676	5.2
163.02620	0.9
164.03445	76.2
164.98560	0.7
165.03796	3.5
166.04996	2.2
167.03444	0.7
167.11839	1.4
169.13335	1.2
171.14915	0.4
176.03389	0.5
177.04247	5.6
178.05016	56.1
179.05380	2.5
191.01955	0.4
192.06596	6.7
195.11348	1.7
197.12892	18.1
198.11302	3.3
198.13138	0.9
209.02896	0.5
212.49663	0.4
215.13959	16.9
216.14301	0.6
218.04541	1.2
222.98376	0.4
225.00752	0.7
234.07726	0.5
241.11919	3.6
249.08936	0.5
263.10461	3.1
264.10718	0.5
291.13675	0.6
305.15076	7.2
306.15845	53.7
307.16208	4.7
321.18179	42.7
322.18445	4.6
332.13809	1.8
343.12558	0.5
347.16101	20.5
348.16476	1.7
365.17157	63.9
366.17438	7.3
407.18054	0.9
527.22614	100.0
528.22961	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	527.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08912	7.5
57.58701	7.0
59.01255	51.3
60.56907	8.1
64.78190	9.1
67.49447	8.8
67.69100	8.2
69.39577	82.5
71.01254	38.3
78.95786	22.1
80.60985	8.3
82.37341	8.2
87.92987	7.7
88.26958	8.5
89.02325	35.4
93.03357	20.1
101.02320	26.1
107.04917	28.0
109.02869	14.8
119.03412	12.9
119.04938	13.7
121.02841	100.0
123.04446	12.5
134.03648	27.3
135.04431	60.2
147.04387	32.6
149.02278	12.0
151.03893	28.2
163.03902	89.3
165.05484	21.8
179.03374	8.8
181.05002	12.6
187.10944	8.4
239.07060	22.3
241.16200	9.1
287.38330	8.9
347.24863	8.8
357.10663	10.2
479.15582	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	526.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47578	0.6
52.65163	0.5
57.69151	0.6
59.01250	21.7
74.54723	0.5
78.40220	0.6
78.95780	13.8
80.96383	1.1
118.44044	0.6
122.14463	0.5
152.99451	2.6
155.93970	0.6
168.04207	2.6
185.25136	0.6
186.13831	0.6
224.06883	6.9
227.20122	100.0
228.20502	6.0
242.07938	1.7
346.82425	0.7
353.53214	0.7
397.76648	0.6
398.86108	0.6
452.27835	52.5
453.28009	3.9
487.32889	0.6
527.25183	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	526.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.8
61.98690	2.2
69.25181	10.9
75.00729	1.3
78.95782	38.3
98.20500	1.9
99.08036	5.9
125.09589	1.5
127.11176	2.7
139.11179	2.7
140.01074	10.9
152.99484	6.6
167.14307	1.4
171.10197	10.7
183.13853	4.9
193.12175	1.7
196.03725	12.9
199.13411	1.2
209.11771	2.5
211.13358	30.0
212.13708	1.5
214.04790	3.1
227.16463	1.1
229.14378	17.2
230.14854	1.1
244.14555	1.2
293.21362	2.4
328.22043	1.5
329.23340	59.1
330.23773	4.6
482.28339	1.5
526.27869	100.0
527.21338	1.5
527.28223	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	526.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.3
66.74685	0.7
69.99991	3.7
78.95776	31.0
83.04911	0.9
92.40167	0.7
96.96886	1.8
98.19960	1.0
99.04406	0.9
99.08029	5.6
122.00040	0.9
125.09621	1.8
127.11191	4.9
129.09126	1.0
130.85123	0.7
135.04396	0.9
139.11201	3.3
140.01108	5.9
151.03893	0.8
152.99480	6.6
165.12733	1.1
167.14326	2.4
171.00528	4.0
171.10184	11.9
183.13823	8.0
185.11626	1.6
193.12328	3.1
196.03714	3.1
197.11751	0.7
209.11838	2.6
211.13335	42.0
212.13678	2.0
214.04805	6.8
216.15915	0.7
229.14400	24.5
242.13126	1.2
243.13486	3.7
260.14209	1.6
261.14511	1.4
293.21329	2.1
301.14297	1.0
302.14740	0.8
311.22299	2.2
319.15445	1.2
320.15891	2.4
329.23328	100.0
330.23682	7.3
364.14520	1.9
364.81754	0.7
384.67712	0.8
526.20654	3.3
526.27808	76.8
527.20599	1.4
527.28217	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	526.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74767	1.0
57.03337	1.1
59.01243	2.0
61.98682	1.0
65.08650	0.9
66.00336	0.8
71.01275	1.0
71.04887	0.9
71.34538	1.9
75.42419	0.8
78.95779	66.3
79.68178	0.9
85.02818	1.4
96.96843	3.7
99.08033	7.2
100.88422	0.8
102.56142	0.8
118.54482	1.0
125.09602	2.0
127.11163	5.1
128.03517	0.9
128.07417	0.8
132.31706	0.9
139.11195	7.2
140.01074	5.1
152.99480	12.0
167.14366	1.9
171.00587	10.1
171.10190	21.2
172.10515	1.2
183.13832	6.5
193.12375	1.8
196.03781	2.5
198.66913	0.9
209.11819	2.6
211.13336	41.3
212.13675	2.7
214.04799	6.6
225.14783	1.1
229.12323	1.8
229.14418	24.5
242.13022	1.6
243.13533	1.3
293.21326	3.1
302.14871	1.0
311.22214	2.1
320.16080	1.4
327.21558	0.9
329.23318	99.7
330.23691	9.5
452.24142	1.1
526.27856	100.0
527.28125	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	526.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.3
59.01241	1.8
61.98695	0.6
69.03341	0.6
71.01254	1.1
71.42854	0.4
71.57043	0.4
72.99160	0.8
78.95778	18.7
83.04890	1.1
85.02824	0.7
96.95887	0.6
96.96835	2.0
97.06450	0.9
99.08032	7.1
122.00037	0.7
125.09654	2.2
127.11164	2.8
129.09111	0.9
140.01086	4.9
152.99501	4.5
155.10669	0.5
155.14275	1.0
165.12772	1.2
167.14366	2.0
171.00539	1.2
171.10204	4.0
183.13861	8.0
184.14172	0.6
185.11754	0.9
193.12276	2.6
196.03802	2.4
197.11679	0.7
199.13390	1.2
209.11708	2.3
211.13350	46.1
212.13651	2.7
214.04810	7.0
229.14418	27.8
230.14734	1.1
239.14235	0.5
281.93530	0.4
291.19650	0.6
293.21249	2.4
311.22272	1.9
329.23328	100.0
330.23727	8.1
347.18420	2.2
434.29379	0.4
494.69998	0.6
526.27881	71.7
527.19678	0.7
527.28296	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	526.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.3
59.01241	1.8
61.98695	0.6
69.03341	0.6
71.01254	1.1
71.42854	0.4
71.57043	0.4
72.99160	0.8
78.95778	18.7
83.04890	1.1
85.02824	0.7
96.95887	0.6
96.96835	2.0
97.06450	0.9
99.08032	7.1
122.00037	0.7
125.09654	2.2
127.11164	2.8
129.09111	0.9
140.01086	4.9
152.99501	4.5
155.10669	0.5
155.14275	1.0
165.12772	1.2
167.14366	2.0
171.00539	1.2
171.10204	4.0
183.13861	8.0
184.14172	0.6
185.11754	0.9
193.12276	2.6
196.03802	2.4
197.11679	0.7
199.13390	1.2
209.11708	2.3
211.13350	46.1
212.13651	2.7
214.04810	7.0
229.14418	27.8
230.14734	1.1
239.14235	0.5
281.93530	0.4
291.19650	0.6
293.21249	2.4
311.22272	1.9
329.23328	100.0
330.23727	8.1
347.18420	2.2
434.29379	0.4
494.69998	0.6
526.27881	71.7
527.19678	0.7
527.28296	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	526.209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.6
66.00845	0.8
68.02410	78.1
69.02753	0.7
70.25617	1.1
70.26007	0.7
95.03525	0.6
98.20422	0.5
101.05980	0.8
106.67093	0.4
107.19553	0.4
122.04667	2.2
126.99458	100.0
127.99795	3.2
149.05717	12.7
150.06119	0.5
152.08197	13.4
164.08200	3.7
193.04712	6.2
232.10745	1.0
233.11562	7.7
236.73431	0.4
239.51740	0.4
270.09268	0.5
292.08566	1.4
341.13467	5.1
342.13730	0.6
398.20569	1.8
437.18375	0.5
444.11316	0.6
526.21381	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
66.00844	0.6
68.02411	64.2
69.02734	0.6
69.48182	1.6
69.48612	2.2
74.36322	0.5
80.96400	0.8
90.95765	0.5
91.01733	0.6
122.04638	2.3
125.07152	0.5
126.99460	100.0
127.99790	2.5
143.91139	0.5
149.05728	12.8
149.06848	1.0
152.08203	26.4
153.08571	1.1
164.08234	3.4
169.12227	0.6
182.64011	0.5
193.04735	5.0
233.11530	7.8
236.75429	0.4
341.13586	3.9
342.13983	0.6
361.11844	4.6
376.14374	0.7
398.20441	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	525.3067
Annotation	Simplexin H
Peak:m/z	Relative Intensity
55.01750	0.6
57.03319	0.9
58.00469	0.8
59.01250	100.0
60.01577	1.1
65.90715	0.1
67.01780	0.2
68.78526	0.1
69.03329	0.4
71.01253	20.7
71.14160	0.4
72.01608	0.4
72.99195	1.2
73.02819	4.7
75.00750	0.2
77.72059	0.1
83.01257	2.0
84.02081	0.3
85.02823	9.3
85.63377	0.1
86.03122	0.2
87.00755	1.1
89.02316	10.3
95.01263	3.3
95.04893	0.2
97.02835	0.5
99.00760	1.6
101.02324	9.2
102.02625	0.3
109.06477	0.2
111.00774	0.3
112.01529	0.4
113.02330	22.6
113.05961	0.3
114.02683	0.5
115.03946	0.2
119.03387	4.4
119.04238	0.2
124.01550	0.3
125.02334	0.5
125.09647	0.2
131.03407	0.8
143.03403	1.8
149.04498	0.3
161.04457	3.0
163.11183	0.4
163.14818	0.2
179.05559	1.2
181.12259	0.3
188.77534	0.1
191.14346	0.3
197.11703	0.1
205.23595	0.1
207.10167	0.5
209.11774	0.2
211.13219	0.2
215.17996	0.2
225.11360	1.0
243.12241	0.3
245.19174	0.4
253.09222	0.5
271.16919	0.2
285.22333	0.1
289.18103	3.6
290.18484	0.3
321.24350	0.5
379.90277	0.2
395.24438	0.2
465.28531	11.4
466.28912	1.9
483.29614	11.5
484.29944	1.6
525.26654	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.307
Annotation	Hythiemoside A
Peak:m/z	Relative Intensity
52.37035	0.2
55.01763	0.5
57.03329	1.2
58.00458	0.5
59.01250	100.0
60.01581	1.1
69.03323	0.3
71.01252	11.0
72.99185	0.6
73.02824	2.5
83.01277	0.9
85.02819	4.3
86.42639	0.2
87.00760	0.4
89.02315	5.7
95.01239	1.0
98.20556	0.4
99.00784	0.9
101.02324	5.0
104.34167	0.2
113.02328	11.2
114.02649	0.2
119.03402	1.9
131.03409	0.5
143.03438	0.8
161.04414	1.8
166.61002	0.2
179.05556	0.5
194.69351	0.2
245.73154	0.2
353.19922	0.7
371.20886	0.5
386.13226	0.2
395.24438	0.5
413.25467	0.4
465.28549	2.2
466.29025	0.4
473.28229	0.2
483.29623	2.6
484.29913	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.307
Annotation	Simplexin H
Peak:m/z	Relative Intensity
55.01760	0.6
57.03318	1.1
57.03559	0.2
57.08067	0.2
58.00470	0.5
59.01249	100.0
60.01582	1.1
67.08401	0.2
68.02437	0.3
68.99701	0.2
69.03333	0.6
69.79672	0.9
71.01251	15.5
72.99186	0.6
73.02821	4.1
75.00755	0.3
78.95818	0.2
83.01261	2.3
83.04892	0.2
85.02819	7.3
87.00774	0.8
88.01043	0.1
89.02318	5.2
95.01265	2.1
95.04901	0.2
97.02836	0.4
97.06496	0.2
99.00745	1.8
101.02323	8.8
111.00774	0.5
112.01557	0.2
112.92958	0.2
112.93616	1.0
113.02325	14.6
113.05995	0.2
114.02605	0.2
119.03375	2.5
124.01606	0.2
125.02365	0.5
126.99492	0.2
131.03378	0.3
137.00612	0.2
143.03400	1.1
147.22568	0.2
159.02888	0.6
161.04449	3.0
163.14879	0.4
169.26009	0.2
171.10197	0.6
179.05556	0.7
197.11812	0.6
207.10182	0.2
209.11775	0.5
215.17996	0.3
225.11226	0.3
225.91972	0.2
227.12856	0.2
233.19144	0.4
289.18015	0.3
321.24414	0.6
383.13687	0.2
395.24213	0.4
447.27655	0.5
465.28555	10.9
466.28711	1.4
483.29611	12.8
484.29929	1.6
525.29865	0.6
537.42560	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3067
Annotation	Simplexin H
Peak:m/z	Relative Intensity
55.01762	0.6
57.03323	1.1
57.74737	0.4
59.01249	100.0
60.01587	0.8
68.02415	1.3
71.01251	11.7
71.57854	0.4
72.99186	0.4
73.02814	3.3
78.95784	0.6
83.01253	1.7
85.02821	5.2
87.00773	0.7
89.02330	2.4
93.03307	0.4
95.01298	1.5
97.02840	0.4
99.00748	1.9
101.02316	4.9
110.98411	0.4
113.02323	7.7
113.03043	0.5
119.03423	0.6
125.02365	0.5
143.03439	0.6
153.09073	1.9
160.95619	1.0
161.04463	3.0
161.61749	0.4
171.10165	0.8
179.10818	0.3
197.11903	0.5
207.10284	0.7
209.11923	0.7
210.71269	0.3
220.11546	0.3
225.11342	1.1
225.31584	0.4
226.11835	0.4
227.12968	0.4
236.22321	0.3
243.12415	0.6
246.65932	0.4
295.23087	0.5
321.24478	1.1
379.07907	0.3
465.28546	11.2
466.29413	1.3
483.29745	6.2
484.29715	0.8
525.27557	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	8.8
61.98703	2.6
70.78457	2.3
78.95780	100.0
96.96845	8.0
121.02818	1.0
130.04106	1.3
131.04907	3.6
132.82726	0.9
140.01134	1.9
149.06001	8.6
152.99509	21.4
160.93835	0.9
171.00562	18.8
171.04030	0.8
171.10156	3.0
174.40897	0.9
196.03717	1.2
225.05437	1.0
226.06538	0.8
227.13008	1.0
256.34549	0.9
265.18097	0.9
283.19122	1.6
285.11441	1.5
309.20944	0.9
327.21613	5.8
357.22833	1.3
358.12344	1.1
369.12860	1.0
371.12860	2.7
401.13806	1.5
417.16956	1.1
431.15085	1.8
450.22690	2.4
463.17542	4.3
524.26294	70.7
525.27081	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	525.1976
Annotation	Abelioside A
Peak:m/z	Relative Intensity
56.57734	1.2
57.85273	1.1
59.01241	6.2
61.16550	1.2
65.49443	1.3
66.92450	1.2
71.01250	3.8
71.57675	1.5
72.99191	9.6
78.95773	4.2
80.56909	1.2
80.96378	1.9
83.46270	1.3
83.67604	1.1
85.02816	5.3
89.02313	2.2
90.88988	1.1
99.04396	24.9
101.02317	2.6
108.02067	1.7
113.02343	3.8
113.05966	1.8
119.54575	1.1
119.61150	1.1
121.02841	9.8
122.03619	2.2
134.03671	1.6
135.04414	20.4
136.05234	2.1
137.02347	1.6
149.02309	2.4
150.03169	1.6
151.03915	35.1
152.04649	4.1
161.06012	4.4
162.06775	2.4
172.05211	3.6
173.05984	4.2
174.06721	2.5
175.07530	4.8
185.06010	1.3
187.07547	8.9
190.06236	1.9
191.07082	4.5
192.07828	12.8
193.08269	1.3
199.07478	1.4
203.07108	8.5
204.07692	1.9
205.08652	15.8
209.09726	2.1
212.08502	1.7
213.09161	11.4
223.11156	2.3
224.12064	1.5
227.10754	2.8
230.13062	20.8
231.13496	2.0
241.12274	1.9
242.13080	100.0
243.13403	6.8
245.15494	4.2
257.15482	14.5
258.12607	11.6
260.14166	78.0
261.14508	6.0
273.14917	6.3
275.16513	7.1
278.49783	1.3
286.12177	5.1
287.12961	1.6
289.14499	9.4
289.17578	2.1
301.14417	36.0
302.11539	2.0
302.14764	3.9
304.13193	4.0
317.10574	2.2
317.13928	21.5
318.14270	2.2
319.15488	83.4
320.15668	7.8
345.13388	18.1
346.13727	1.8
361.16638	8.5
363.14474	53.2
364.14856	4.2
395.06247	1.6
481.20740	8.3
507.18402	1.3
525.19763	75.7
526.19977	10.4
526.27448	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	524.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.7
59.01235	1.7
61.98690	0.7
69.03304	1.5
71.01250	2.7
71.04868	1.1
73.02819	1.2
75.15348	0.6
78.95779	22.8
81.00196	0.6
83.04899	1.1
85.02819	9.6
85.06450	1.2
87.96805	0.6
95.04888	1.1
96.96829	1.3
97.02869	1.0
97.06470	7.0
98.19753	1.6
100.65269	0.6
101.95956	0.7
107.08577	0.7
109.06448	0.8
117.69560	0.6
119.08549	0.8
125.06010	0.9
125.09611	1.7
125.11524	0.8
127.11159	2.0
135.04407	1.8
137.09607	3.2
140.01050	5.6
141.72960	0.7
150.03181	0.9
152.99492	6.3
155.10742	1.6
155.14287	0.8
159.22723	0.7
165.12776	0.9
171.00574	1.8
171.10191	27.6
172.10513	1.9
177.12674	1.0
183.13835	9.8
193.12193	1.5
196.03758	3.6
197.11781	0.9
201.11247	4.7
209.11737	1.7
211.13348	23.3
212.13742	1.3
214.04825	7.2
221.11732	2.4
229.14420	13.1
229.73120	1.1
230.14755	0.9
239.12756	0.8
247.20520	0.9
251.16304	0.8
273.18628	1.3
289.18051	1.7
291.19589	5.4
309.20590	1.5
325.51672	0.8
327.21756	100.0
328.22147	8.4
401.13617	1.6
504.54562	0.9
510.89835	0.8
524.26306	73.5
525.26624	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	524.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.9
58.02836	1.2
59.01261	4.7
69.03311	0.9
71.01259	2.4
71.04874	1.1
71.13223	1.4
71.13575	1.5
75.00756	2.2
78.95780	70.8
83.04861	1.6
85.02826	9.0
96.96841	2.8
97.06468	6.4
100.47986	0.7
101.02339	2.5
102.01859	5.0
103.03872	1.0
103.79581	0.8
112.96281	1.1
123.08039	1.2
125.09584	1.6
127.11133	2.0
135.04425	5.6
136.04945	0.7
137.09624	1.8
140.01103	13.2
141.09097	5.0
152.99506	11.0
162.99675	0.8
167.14334	1.1
171.00572	5.7
171.10199	16.5
174.06773	1.4
183.13846	11.1
185.11763	1.2
196.03749	13.2
209.11786	2.5
211.13356	18.8
214.04880	5.4
215.14095	0.9
221.11775	1.8
227.12842	1.4
229.14417	8.4
239.12828	1.0
246.88965	0.9
251.16548	1.2
260.14148	3.2
274.15683	1.5
275.16476	7.8
276.16833	6.5
283.10526	1.0
291.19730	2.4
327.21765	54.6
328.22098	3.8
353.55634	0.8
448.18729	1.1
450.22153	0.9
492.18243	1.0
515.29865	0.9
524.26361	100.0
525.26660	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	524.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30284	0.4
57.03326	0.9
59.01250	2.5
61.98699	3.5
66.61969	0.5
70.55013	1.0
70.55385	0.8
71.01256	1.7
72.99183	1.0
78.95777	0.5
80.04942	0.7
83.01273	0.7
85.02828	8.6
88.22371	0.4
89.02344	0.5
94.06506	2.9
98.20489	0.5
104.04979	0.6
104.71001	0.5
106.06508	0.8
107.03623	4.7
111.00788	1.1
112.15707	0.5
114.06439	0.4
115.43644	0.4
116.04955	0.6
118.09245	0.5
120.04487	1.0
121.05187	1.0
122.06013	34.5
124.07573	2.0
128.03436	0.8
129.01804	0.9
131.03674	0.8
132.04453	7.4
134.06036	4.2
135.06807	1.1
139.02666	2.2
143.04468	0.5
144.04405	0.6
146.05971	0.8
147.03020	1.7
148.03967	0.8
150.05528	2.0
152.07080	70.9
153.07455	3.4
158.02411	2.3
160.03949	4.6
161.04619	0.7
162.05508	1.3
164.03421	0.7
166.04993	0.8
172.04004	0.9
174.05527	1.4
176.03395	3.5
176.07080	1.0
190.05013	8.6
191.01953	4.1
191.05533	1.0
192.06532	0.7
209.02879	0.8
209.11842	1.0
210.11987	0.8
211.08664	0.7
211.12392	1.6
215.11964	2.4
223.08719	4.9
224.09380	4.6
225.10078	0.6
226.07300	0.7
227.08163	1.2
228.72736	0.6
236.09579	1.0
237.10269	2.2
238.11017	1.4
239.11862	18.8
240.10301	2.6
240.12132	0.9
241.09767	2.4
249.06706	0.9
250.07455	0.8
251.08270	1.1
251.11876	4.2
252.10078	1.0
253.06189	5.2
253.09750	1.6
255.07803	1.4
255.11382	2.1
256.08533	0.5
259.14810	0.5
265.09680	2.4
267.07852	3.4
267.11197	2.5
268.08484	4.5
269.08884	0.6
271.10742	0.9
279.07941	1.1
279.11292	0.8
280.08618	2.3
281.09314	1.9
281.12704	0.7
282.10019	1.0
283.10876	48.7
284.11288	3.7
295.10861	11.2
296.11340	2.2
297.12302	1.4
304.85226	0.6
309.08765	1.0
309.12100	0.7
312.11133	3.1
315.13629	0.9
323.10501	1.7
324.10782	0.6
327.13480	0.9
339.09711	0.7
341.11380	2.4
344.21594	0.9
355.13062	2.0
361.65314	0.5
399.01215	0.6
404.19870	1.4
420.19662	2.4
430.17700	1.0
448.18771	47.8
449.18915	5.6
464.18167	1.2
474.16376	1.3
480.21057	2.4
492.17755	100.0
493.18097	14.0
523.34698	1.5
524.20386	11.8
524.25922	0.4
525.20459	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.4
59.01236	2.2
61.98700	1.2
63.18599	0.6
64.43003	0.6
66.18395	0.6
70.29237	1.2
70.29630	2.3
71.01231	1.3
72.99148	1.3
75.00723	2.5
84.02689	0.6
85.02824	8.8
89.02311	0.8
93.03313	0.8
94.02827	0.6
94.06480	2.5
96.95877	2.7
99.04391	0.9
101.02280	1.0
101.68748	0.6
104.04942	1.3
106.06474	1.9
107.03648	5.6
108.04440	1.0
111.00726	1.4
116.04949	1.1
116.57775	0.6
120.04456	0.9
122.06002	38.7
124.07541	1.9
129.01834	1.3
132.04448	10.5
133.04927	1.4
134.06050	3.4
135.04324	1.3
135.06749	0.9
137.88892	0.6
139.02657	1.8
144.04514	0.9
146.02357	0.8
146.05978	1.0
147.02948	2.7
148.03999	0.7
150.05484	1.5
152.07072	76.8
153.07411	2.9
158.02368	2.5
160.03925	5.1
161.04485	1.1
162.05556	1.6
164.03403	1.9
166.04945	1.4
167.05754	1.0
172.03877	1.0
172.11221	0.6
173.00792	1.1
174.05516	2.2
176.03441	4.8
176.07031	1.2
190.05008	18.0
191.01883	4.3
191.05595	1.7
209.02846	1.1
209.11847	1.6
211.12340	1.1
215.11807	3.1
219.10161	0.8
220.09883	0.8
223.08736	3.9
224.09503	3.6
227.08194	0.9
237.10307	1.2
238.10970	1.2
239.08051	1.2
239.11850	14.6
240.10138	2.7
240.12294	1.3
241.09753	1.6
249.10123	0.6
251.08212	1.1
251.11774	2.2
252.08829	1.2
253.06276	3.2
253.09601	1.2
255.07683	1.6
255.11346	2.0
265.09763	2.9
267.07758	4.0
267.11246	1.5
268.08438	4.1
275.16312	0.9
279.07846	1.4
279.11365	0.7
280.08456	2.7
281.09393	1.1
283.10873	49.7
284.11273	3.9
295.10849	10.4
296.11307	1.2
309.08658	0.9
312.11105	4.0
315.13400	1.9
323.10266	1.4
327.13474	1.3
340.10495	0.8
341.11331	4.3
355.12778	4.4
356.13559	1.0
404.20056	1.0
420.19119	2.3
424.18347	0.8
448.18750	49.9
449.19009	5.2
464.17651	1.2
474.16824	0.9
480.21414	11.9
481.21649	1.4
492.17731	100.0
493.18060	13.5
496.21265	1.1
506.18594	0.9
524.20355	53.2
525.20709	7.6
526.16986	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.6
59.01255	3.9
61.98702	2.0
64.29295	0.7
69.38472	3.2
69.38893	3.9
71.01238	3.0
71.60508	0.8
78.95786	5.7
85.02821	9.4
89.02287	1.1
89.14397	0.7
94.06489	3.2
98.19761	1.6
101.02317	2.5
104.04913	0.9
106.06516	1.3
107.03667	7.3
108.04435	1.0
111.00753	2.5
113.02309	0.8
120.04367	1.2
122.05112	1.6
122.06005	32.1
124.07569	2.7
132.04395	4.7
134.06018	6.2
135.04378	1.7
137.02364	0.9
139.02672	1.9
144.04422	1.0
147.02893	1.4
150.05522	1.1
152.07077	54.0
152.99443	1.0
153.07422	2.2
154.28583	0.9
157.06523	1.2
160.03932	2.4
162.05412	1.0
164.03491	0.9
171.00613	1.6
172.03967	1.4
173.00822	1.3
174.05528	1.0
176.03481	2.0
190.04971	6.4
191.01944	4.3
191.05551	0.9
209.02875	1.5
215.11848	2.6
223.08676	3.3
224.09512	3.2
226.07344	1.2
227.08086	1.9
239.11856	10.7
240.10289	1.2
241.09795	2.5
251.11842	1.8
253.06140	3.2
253.09717	1.6
254.06892	1.0
255.07777	1.0
255.11349	1.8
265.09927	1.9
266.06952	0.9
267.07602	2.5
267.11337	1.9
268.08505	1.8
271.10782	0.9
277.09766	0.9
279.07901	1.1
279.11795	1.1
280.08524	3.5
281.09323	1.8
283.10886	33.1
284.11224	3.9
287.10388	1.1
289.18027	1.3
295.10843	11.1
296.11298	2.3
307.10873	1.0
309.08801	1.5
309.12305	1.2
312.11227	1.4
315.13513	3.1
322.26443	0.9
327.09964	1.1
327.13235	1.7
327.21616	0.9
341.11368	3.9
355.12912	1.5
420.19113	3.2
430.17511	1.3
437.28790	1.1
448.18820	15.0
449.18948	2.4
464.18240	1.4
474.16846	1.6
480.21201	2.2
492.17752	23.5
493.18152	3.4
496.21066	2.8
506.19284	2.7
523.34601	3.3
524.20294	100.0
525.20660	18.3
525.28430	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	2.2
58.73174	0.8
59.01248	7.3
61.98690	2.4
71.01253	5.6
71.57912	0.8
71.58288	1.5
72.23413	0.9
72.99192	1.3
73.02827	1.4
75.00748	1.0
78.95779	6.2
84.02036	1.1
85.02818	14.0
87.69876	0.9
89.02283	2.4
89.08636	0.9
89.20617	0.8
94.06475	3.6
98.16772	0.8
99.00808	1.0
101.02303	3.4
106.06483	2.6
107.03645	6.2
107.04880	0.9
111.00705	2.6
113.02328	1.9
122.06003	30.1
124.07550	2.4
129.01854	1.1
132.04439	4.8
134.05997	7.0
135.04372	4.6
136.04765	1.6
138.23871	0.9
139.02669	2.0
145.05045	1.0
147.02951	1.9
150.05507	1.3
152.07068	54.0
152.65526	0.9
152.99483	1.4
153.07390	2.6
158.02327	1.2
160.03902	2.3
161.04578	1.6
162.05452	1.3
164.03366	1.2
172.03949	0.9
173.00766	2.0
175.07298	0.9
176.03491	1.8
178.04984	1.3
190.05022	5.3
191.01862	5.9
192.06645	1.2
197.11679	1.2
199.08803	0.9
209.03017	1.9
211.12396	1.1
212.10660	1.4
215.11780	3.1
223.08701	4.2
224.09450	3.4
227.08104	1.5
227.89076	1.0
239.04688	1.3
239.11815	10.8
241.09708	2.9
251.08351	1.0
251.11752	1.5
253.06137	2.7
253.09831	1.1
255.07661	1.9
255.11137	1.6
267.07693	3.5
267.11176	1.8
268.08365	2.8
274.15649	2.5
275.16367	6.8
276.16757	3.3
279.11246	1.0
280.08508	4.0
281.09219	1.3
283.10843	29.7
284.11102	1.9
289.18152	1.8
295.10822	10.9
309.08789	1.5
309.12094	1.1
315.13431	3.0
327.09595	1.4
327.13263	1.7
339.09650	1.2
341.11325	2.9
355.13058	1.6
420.19751	2.8
430.17630	1.2
448.18771	12.5
449.18726	1.3
464.18002	1.7
474.16617	2.3
492.17822	25.2
493.17996	2.6
496.20416	1.4
504.37976	1.1
506.19333	1.9
523.34503	6.6
524.20276	100.0
524.34900	3.5
525.20703	16.6
525.27460	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	6.3
70.59849	5.7
70.60188	1.8
78.95782	19.8
96.96861	2.0
100.78975	1.6
113.09608	2.2
150.23349	1.6
152.99492	24.4
153.73877	1.7
171.00446	2.9
171.10042	2.1
195.13873	22.1
195.54666	1.8
227.03159	2.1
264.68945	1.9
277.21732	20.8
293.21100	1.8
295.22794	100.0
296.23053	8.5
523.26593	58.3
523.32782	4.0
524.26556	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	523.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30536	0.7
53.94574	0.9
57.03313	2.5
59.01257	1.0
68.02377	0.9
69.48246	6.2
70.35223	0.9
85.02798	1.7
97.06464	2.1
98.20564	0.9
123.08069	1.1
125.09605	3.5
127.11158	1.6
129.09163	2.0
139.11229	1.6
141.12779	1.5
151.11249	1.1
153.12762	2.9
167.10710	5.3
169.12227	1.1
171.10181	5.9
181.12292	7.9
181.82899	0.9
185.11745	57.7
186.12073	2.9
197.11726	1.6
199.13356	1.7
201.11201	3.0
210.57274	0.9
211.13194	1.8
228.13631	1.1
229.10722	5.6
249.22148	2.2
265.21707	1.1
267.23386	0.9
293.21225	20.5
294.21573	1.0
295.22629	1.1
311.22263	100.0
312.22614	9.9
325.23712	1.8
339.89273	0.9
367.24536	1.4
417.33917	1.2
461.32733	4.3
462.32932	1.1
479.33829	2.8
480.33875	1.2
523.32770	8.5
524.33374	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	2.3
59.01246	8.8
63.40508	2.1
69.78296	4.8
69.78719	8.0
71.01255	3.1
72.14869	1.8
78.95777	32.6
96.96828	2.7
124.18953	1.6
134.59171	2.0
152.98325	2.8
152.99496	46.6
156.74667	2.1
171.00568	4.5
171.10182	12.2
195.13831	15.9
227.03284	4.9
243.12224	2.4
277.21719	28.5
295.22778	100.0
296.23065	8.0
523.26727	96.4
524.26904	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	523.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95835	1.6
60.99179	4.7
71.58009	2.9
78.95781	100.0
79.95641	1.5
83.08538	1.5
85.95264	1.4
88.98673	27.8
95.09220	1.4
96.95887	8.6
96.96851	7.7
105.98324	1.8
112.34319	1.5
113.94604	1.6
152.99498	93.6
153.99812	6.9
171.00516	4.7
229.47862	1.7
254.05399	1.8
255.23419	3.6
266.56308	1.5
279.23282	2.3
281.24783	5.2
282.25189	6.2
410.97314	1.6
433.23611	14.6
435.25192	2.7
436.25494	9.4
523.31793	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69212	2.5
58.00463	3.0
59.01255	54.7
69.34329	28.4
71.01257	53.8
72.99171	6.5
73.02826	7.3
78.95781	16.6
83.01242	5.8
85.02830	18.1
89.02316	42.3
97.02783	3.1
101.02325	38.0
111.00829	4.1
113.02328	10.6
119.03461	3.0
121.02886	4.8
125.02364	3.5
128.86696	2.6
131.03410	18.6
133.04921	4.5
149.04443	26.4
152.99486	8.9
161.04530	5.2
165.05501	5.2
180.68115	2.9
181.25571	2.6
191.05589	8.5
201.11172	2.9
202.52249	2.5
243.10376	2.9
281.08136	3.4
287.18594	4.1
301.14392	4.1
331.17645	9.9
361.16507	12.3
463.21884	100.0
464.21957	9.9
523.21216	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	523.2183
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.97484	0.3
56.13703	0.3
57.03336	0.3
57.29467	0.3
59.01247	2.7
62.65441	0.3
71.01260	1.5
73.02824	0.7
75.00735	0.4
85.02824	3.2
87.00748	0.6
89.02303	0.4
93.03339	1.4
96.95877	0.9
98.20576	0.7
101.02319	1.0
101.02911	0.3
108.02025	0.7
109.02835	4.0
111.00738	0.7
113.02327	0.6
118.19323	0.3
119.04884	0.3
121.02843	11.9
122.02807	0.5
122.03644	9.6
122.04535	0.7
123.04469	1.7
124.01477	1.5
129.01756	0.4
129.03378	0.9
133.05014	0.4
134.03624	1.0
135.04401	2.0
136.01585	0.3
136.05194	0.6
137.02341	2.9
137.05836	0.4
146.03609	0.4
147.02998	0.5
147.04413	6.3
148.05206	0.4
149.05978	1.1
150.03087	0.7
154.02599	1.5
155.10606	0.4
160.05176	0.4
161.04526	0.6
161.05989	1.4
164.04689	0.6
165.05487	22.7
166.05788	1.3
168.04140	0.5
178.06277	0.6
179.07066	9.1
180.07475	0.5
191.01912	1.2
191.06866	0.3
208.07312	0.5
209.03004	0.7
209.08102	1.0
209.11853	0.4
223.09676	1.4
283.09717	0.3
298.11993	0.8
313.14474	1.1
315.12427	2.7
316.12918	0.6
346.14185	8.2
347.14380	0.7
361.16556	100.0
362.16888	12.0
406.85489	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2186
Annotation	Mascaroside
Peak:m/z	Relative Intensity
55.01746	2.2
57.03318	3.8
58.00439	0.9
59.01250	22.1
66.87816	0.4
67.63720	0.4
69.03322	0.6
70.07819	2.0
71.01252	20.1
72.99181	1.9
73.02808	3.6
73.94431	0.4
75.00758	0.7
83.01256	4.1
84.02045	0.5
85.02820	22.3
86.03119	0.5
87.00761	3.1
89.02314	9.8
93.03330	1.2
95.01250	2.0
96.95885	8.9
97.02819	0.5
99.00765	2.4
101.02319	16.3
107.04899	0.6
108.02029	0.8
109.02835	4.6
111.00761	2.8
113.02323	6.3
114.73106	0.5
119.03403	4.2
119.04935	0.6
121.01950	0.6
121.02834	10.7
122.03628	10.5
123.04415	2.4
124.01521	1.7
125.02297	0.5
129.01854	2.3
131.03366	1.0
133.04890	1.6
134.03598	1.0
135.04401	2.9
136.05161	1.6
137.02345	2.4
137.05954	0.5
137.93535	0.5
147.02902	2.8
147.04388	6.5
148.05238	0.7
149.04478	1.0
149.05952	0.7
154.02585	1.7
155.70705	0.5
159.02879	0.6
160.05040	0.6
161.04491	1.4
161.05949	2.6
162.06688	0.7
162.87593	0.5
163.03903	0.7
163.07436	0.5
164.04684	1.0
165.05475	23.5
166.05833	1.0
168.04086	0.5
173.00818	0.5
173.05959	0.7
175.03915	0.5
175.07634	0.6
176.08362	0.5
178.06248	0.8
179.05650	0.8
179.07040	6.6
191.01877	5.3
191.07040	2.0
209.02956	1.3
209.08064	0.8
209.11668	2.2
223.09671	0.6
227.12836	0.9
297.02466	0.6
298.12097	1.2
313.10931	0.7
313.14288	3.2
315.12341	1.8
316.13071	1.1
328.13147	1.9
329.13956	1.3
343.11893	0.6
343.15503	5.2
344.15930	0.8
346.14154	9.6
347.14917	3.1
361.16534	88.0
362.16885	10.7
425.68936	0.5
463.21631	3.7
508.19229	1.0
523.21808	100.0
524.22174	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	523.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.4
56.43790	0.2
57.03307	0.7
58.00460	0.2
59.01249	7.2
61.77036	0.2
61.98697	0.2
71.00883	0.3
71.01250	4.4
71.58060	0.3
72.99174	0.4
73.02829	1.1
75.00746	0.5
78.95778	1.4
80.96394	0.2
81.03322	0.5
82.95341	0.2
83.01259	0.6
83.04893	1.7
85.02818	4.7
87.00735	0.4
89.02306	1.2
93.03329	0.4
95.01263	0.4
96.95897	0.2
97.02818	0.3
99.00709	0.4
100.07571	0.3
101.02314	2.9
107.03661	0.4
107.04897	2.8
108.02034	0.4
108.04447	0.2
109.02848	0.4
111.00809	0.8
113.02329	1.8
113.58798	0.2
115.00257	0.3
119.03385	0.4
120.21924	0.2
121.02798	0.3
121.06485	0.2
122.03622	6.4
122.06002	2.1
123.04479	1.0
129.01831	0.3
131.08539	1.2
132.04390	0.4
134.03650	0.4
134.06035	0.3
135.04411	60.7
136.05110	3.9
136.07558	0.2
137.02386	0.3
137.06035	1.0
143.03450	0.2
145.02841	0.4
145.04964	0.5
147.04407	0.8
147.06511	0.3
147.08163	0.3
148.05200	4.3
149.06018	1.2
151.03893	0.2
152.07079	4.0
152.99486	0.4
153.07417	0.2
157.06476	0.4
159.04401	1.7
160.03969	0.3
160.05180	1.9
161.04449	0.8
161.05693	0.3
162.06737	0.3
164.04703	1.3
171.08084	0.7
173.06015	0.8
174.06775	15.5
175.07542	5.0
176.08292	1.0
177.09091	0.4
179.06975	0.2
187.07591	0.4
188.08438	1.0
189.09148	4.8
190.05032	0.6
190.09724	0.6
191.01889	0.8
199.18010	0.3
202.09973	0.8
205.12340	0.2
209.02975	0.2
210.06897	0.3
211.07358	0.2
211.13374	0.2
217.12280	0.4
225.16014	0.2
229.14586	0.2
230.13051	2.2
230.15144	0.2
239.11874	0.5
239.14308	0.4
241.08702	0.2
242.13054	2.9
243.13567	0.5
243.17126	0.4
244.14758	0.3
245.15442	6.7
245.17979	0.3
246.15948	0.6
247.17035	0.3
250.28943	0.2
253.06339	0.2
255.14058	0.6
256.14569	0.4
257.15427	4.3
258.15906	0.5
259.13367	0.4
260.14099	1.3
261.14835	0.4
267.07809	0.3
271.13525	0.4
273.14932	0.9
274.15735	47.4
275.16483	100.0
276.16840	9.7
280.08472	0.3
281.09409	0.3
282.09735	0.3
283.10852	1.6
289.14417	2.0
290.14795	0.2
294.10086	0.2
295.10934	0.6
301.14908	0.2
301.18118	1.4
316.16846	0.5
317.17520	1.5
318.17938	0.3
326.10034	0.5
327.21539	0.3
341.11258	0.2
361.29660	2.2
366.82684	0.2
419.20746	4.3
420.21262	0.5
437.21985	0.6
447.17813	0.3
448.18765	0.6
479.20972	1.1
480.22595	0.2
491.16940	0.3
492.17911	1.0
523.21967	8.2
523.34692	7.9
523.43109	0.3
524.20288	5.9
524.35193	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	523.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42011	0.4
52.42870	0.4
53.36484	0.4
53.80492	0.4
58.65337	0.4
59.01244	2.8
63.96105	1.0
66.36015	0.4
68.07635	0.4
69.03336	1.0
70.06226	0.9
70.06639	1.4
71.01247	9.8
71.04852	0.4
72.99175	0.5
73.02814	1.7
75.00739	0.5
78.95766	0.7
78.98466	6.1
79.95603	10.0
80.49465	0.4
80.96387	64.2
81.03317	0.7
85.02815	3.5
87.00747	2.3
89.02315	0.6
94.97955	15.7
94.98568	0.8
96.95894	1.6
97.02835	1.3
99.00706	0.5
101.02329	3.6
106.21883	0.4
106.97966	3.6
111.00751	0.8
113.02309	0.7
115.00244	2.1
121.73792	0.4
122.97483	3.1
125.02324	2.5
127.03912	1.0
134.96538	0.6
134.97473	5.0
136.03792	0.4
136.99026	1.5
148.99049	6.1
152.07086	0.6
152.98534	5.7
158.59608	0.5
161.16737	0.4
164.98540	11.3
167.07317	0.5
203.24231	0.4
206.99643	2.4
211.13188	0.5
223.13295	1.7
225.00679	15.1
225.05432	0.5
226.00995	0.4
271.09756	0.5
287.22256	1.7
299.04291	3.5
523.18518	100.0
524.10968	0.7
524.18842	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70554	0.4
59.01245	0.6
60.99170	0.6
71.58084	0.6
71.58450	0.5
78.95779	60.2
79.95622	0.6
84.07459	0.4
84.97318	0.5
85.45150	0.4
88.98669	3.5
96.95882	0.9
96.96839	6.8
106.67544	0.5
120.85433	0.4
150.97923	1.6
152.99496	100.0
153.99910	1.1
154.74229	0.4
158.43130	0.5
158.79433	0.5
171.00566	4.5
255.23315	4.6
281.24838	3.9
347.46954	0.5
433.23465	1.4
434.47842	0.5
435.25143	23.1
436.25696	2.0
441.10040	0.5
469.38165	0.6
502.01865	0.5
522.28784	3.9
523.31921	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	523.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87060	1.1
57.03318	2.6
59.01248	16.8
61.98691	1.7
64.03209	1.4
70.35148	4.0
70.35535	2.5
71.01251	24.6
72.99156	1.5
73.02801	5.6
75.00724	2.3
78.95789	9.0
78.98458	3.3
79.95612	4.9
80.96390	25.5
81.03309	1.6
83.01261	3.6
85.02826	19.6
87.00728	3.8
89.02308	6.1
93.03351	3.1
94.97982	6.7
95.01250	1.4
96.95887	3.2
96.96799	1.3
97.02808	2.0
99.00756	2.2
99.04384	14.1
101.02310	12.8
108.02073	1.6
111.00755	4.2
113.02351	8.3
113.03034	1.1
115.00238	6.6
119.03345	1.8
121.02840	76.3
121.06461	2.7
122.03664	2.7
122.97478	3.1
125.02343	1.8
129.01843	2.0
133.02837	1.8
134.03604	2.3
134.97473	1.9
135.04402	3.6
135.08011	1.8
137.02336	3.2
138.52129	1.1
142.81728	1.1
146.03577	1.6
147.04411	1.5
148.99049	2.2
149.02335	18.5
150.03168	8.9
152.98491	3.7
152.99603	1.9
157.06395	1.5
159.04385	2.3
160.05193	2.2
161.04533	2.2
161.05977	8.3
162.06801	13.6
163.03880	2.0
164.04649	2.0
164.98560	4.8
171.00626	2.1
171.23576	1.1
173.00887	1.4
173.05919	1.8
174.06804	3.4
175.04037	1.2
175.07558	16.8
177.09134	1.8
179.07011	1.8
187.03928	1.3
189.05490	2.8
190.06302	19.6
191.01865	4.7
191.06601	1.5
194.06642	4.4
195.06639	2.0
201.05470	2.3
202.06299	2.9
203.07065	26.4
204.07365	2.2
205.08636	4.1
206.99550	2.1
209.02855	1.5
210.06798	1.5
225.00716	9.4
230.13077	97.7
231.13400	8.3
245.15414	15.1
246.15678	1.5
256.10971	2.6
258.12579	60.8
259.12845	5.2
273.11566	2.9
273.14938	20.5
274.12061	1.4
284.10544	2.5
287.16653	2.0
289.14444	59.7
290.14783	5.7
299.12753	4.6
302.11569	8.5
311.10477	1.5
313.03833	1.5
317.13916	100.0
318.14215	9.6
331.15567	1.7
333.13251	2.6
341.13931	1.9
343.11859	5.1
344.12637	1.8
359.14966	12.0
361.12839	7.2
361.29495	5.0
387.12549	1.7
449.27161	1.6
451.19910	7.9
470.69925	1.4
522.33716	3.7
523.18372	62.4
523.34760	21.5
524.18719	6.6
524.26453	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	522.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31270	0.7
52.13368	0.8
57.03318	1.0
59.01261	6.4
69.03341	0.8
71.01244	1.2
71.58344	1.2
73.08360	0.7
76.67671	0.8
77.17172	0.8
78.95785	13.4
97.06482	1.3
99.10061	0.8
115.68910	0.8
121.02859	3.1
121.99963	1.0
122.03641	3.5
127.23189	0.7
135.04437	0.9
136.05202	1.4
140.01085	5.2
147.04530	0.8
152.99519	3.8
164.08299	1.3
165.12646	0.9
167.14349	3.1
171.10257	1.0
193.15967	4.1
196.03749	2.9
207.17522	2.6
214.04814	6.0
217.06525	1.3
231.17514	1.0
249.14774	1.2
249.18588	30.3
249.21202	1.7
250.18919	2.1
275.16541	17.7
276.16800	1.6
281.21188	5.0
293.17612	68.8
294.17834	4.0
307.19208	3.2
317.17752	1.3
325.20200	100.0
326.20560	9.1
343.42493	1.1
352.49805	0.8
448.30035	0.8
522.24805	22.9
522.31799	2.5
523.25043	2.3
523.32788	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	522.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	1.7
59.01261	6.7
59.97803	1.3
71.04843	1.7
71.57500	1.7
78.95773	49.8
121.02853	3.9
122.03581	3.9
123.04468	1.8
136.05209	2.7
140.01089	14.9
152.39221	1.3
152.99467	6.7
167.14308	5.8
193.15892	3.6
196.03743	21.0
207.17522	3.1
214.04788	5.3
219.36124	1.6
231.17519	2.7
233.15479	2.0
249.18571	41.6
250.18849	2.6
275.16522	30.1
276.16898	1.7
276.89929	1.5
281.21234	6.3
293.17599	85.3
294.17737	6.4
307.19199	2.7
325.20206	100.0
326.20544	8.3
373.63745	1.5
508.10867	1.3
522.24707	70.6
522.31085	3.7
523.25006	8.4
523.32037	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	522.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	27.8
60.01578	3.9
61.01674	5.2
61.98705	100.0
67.36683	2.3
67.85252	2.2
69.58992	6.1
69.59409	8.3
78.95786	11.9
82.24928	1.8
102.28621	2.0
121.18028	2.0
143.04498	2.9
152.99469	5.9
250.09445	3.0
251.09602	3.5
267.10156	4.8
268.10583	10.1
269.11029	8.6
270.11264	4.7
280.10532	7.5
282.11200	2.9
463.21652	2.4
508.66165	2.0
522.24756	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	522.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39413	1.6
57.03325	4.1
59.00958	2.2
59.01250	28.3
64.68491	1.5
69.03323	6.6
69.39722	14.5
71.01255	4.3
71.04903	2.2
72.99186	2.3
73.24313	1.8
78.95774	52.5
79.95589	2.6
80.96381	10.9
83.04893	7.4
85.02847	2.5
93.03323	1.8
94.97980	1.7
95.04879	2.5
96.95905	2.6
96.96822	1.8
99.04411	2.0
101.02329	2.2
109.06474	10.5
111.04407	1.9
116.92741	2.2
122.00005	3.3
135.04337	2.1
140.01114	15.0
152.99553	13.4
153.09212	2.4
165.12871	2.1
167.10693	7.1
168.04253	4.8
171.10196	5.3
179.14394	3.0
195.10233	2.7
195.13864	13.5
196.03783	12.7
196.97670	2.0
197.11758	11.9
201.11270	5.8
205.12192	9.8
207.13847	2.0
209.11902	1.9
211.03589	1.7
211.13364	4.1
214.04826	7.3
223.13359	100.0
224.06744	2.1
224.13692	6.0
225.14938	6.7
235.13281	1.8
237.14948	22.0
242.07909	5.2
245.19138	2.8
267.16040	3.0
287.16498	2.4
289.18094	17.1
290.18607	2.5
294.36273	1.8
307.19183	4.9
325.20197	60.1
326.20645	4.2
360.65753	2.1
434.19287	1.8
448.14890	1.9
448.21039	39.1
449.21246	3.4
504.23645	7.6
522.24750	80.6
523.18524	14.0
523.25226	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	522.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41227	0.8
54.55840	0.8
54.82744	0.7
55.12020	0.7
59.01257	1.7
59.73399	0.7
61.98704	100.0
69.97614	3.2
71.01246	1.7
73.64359	0.7
78.95764	4.3
82.08146	0.7
89.02319	1.2
101.02354	0.8
128.38509	0.8
132.46425	0.8
152.99554	2.0
159.08220	0.8
184.33954	0.8
218.73952	0.9
289.18149	2.9
295.75232	0.8
307.19315	0.8
325.20056	1.0
352.72513	0.8
378.89883	0.8
450.49216	0.9
492.19485	1.1
522.24664	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	521.2521
Annotation	Cognatine
Peak:m/z	Relative Intensity
51.06857	0.5
54.02306	0.5
59.01236	1.7
62.56585	0.6
69.27376	5.1
75.05281	0.4
76.65149	0.5
78.95776	20.8
79.00277	0.4
84.07865	0.5
86.67426	0.5
96.96825	1.7
97.06483	0.5
106.09014	0.5
111.08041	0.6
113.09583	0.7
121.42332	0.6
152.99492	24.8
153.99727	0.6
171.00533	3.0
171.10146	0.5
179.14320	1.4
181.12289	0.5
195.13831	13.5
196.14461	1.6
205.12318	1.3
211.13434	0.5
223.13353	10.6
223.15384	0.9
227.03246	2.1
231.21176	0.6
235.16986	3.1
245.04237	3.3
256.13211	1.4
265.21762	1.4
275.20163	8.2
276.20526	0.9
293.21222	100.0
294.21548	10.8
452.18109	0.9
504.40302	0.5
521.25208	72.2
522.25555	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	521.2523
Annotation	Cognatine
Peak:m/z	Relative Intensity
50.77852	1.4
59.01250	5.4
59.54078	1.2
68.46828	1.3
71.07278	2.5
71.07623	1.5
78.95776	44.4
96.96844	2.8
152.99493	71.3
171.00522	4.5
171.10144	2.0
191.90074	1.3
195.13826	17.3
205.12309	2.2
223.13423	9.6
227.03242	6.2
228.13658	1.6
230.75882	1.4
238.35582	1.5
245.04234	2.5
275.20209	7.4
278.07071	1.4
293.21240	84.9
294.21579	5.8
296.22809	1.7
424.34918	1.3
429.20294	2.3
452.18250	2.8
521.25153	100.0
522.25470	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	521.2518
Annotation	Cognatine
Peak:m/z	Relative Intensity
57.03327	5.1
59.01250	4.7
69.60491	4.1
71.01295	0.6
73.75537	0.6
73.84411	0.5
76.91144	0.6
77.07296	0.6
78.95774	29.6
83.04908	0.8
85.02826	0.8
85.06473	1.0
90.06008	0.5
96.95909	0.8
96.96848	2.6
97.06463	1.6
104.09227	0.5
109.06483	1.5
113.09608	22.5
121.10100	1.3
131.28844	0.6
139.11176	2.4
141.09068	0.9
146.64610	0.5
150.97908	0.9
152.99492	47.6
167.10678	4.0
171.00616	2.7
171.10175	3.9
177.12762	1.6
179.10689	1.9
183.13828	1.4
194.80937	0.6
195.13829	3.6
197.11771	0.9
223.13307	1.0
227.03160	5.1
241.10803	1.7
245.04323	2.5
249.22223	3.7
275.20126	3.6
293.21237	100.0
294.21539	9.2
297.28708	0.6
298.97971	0.8
338.71332	0.6
397.53177	0.8
429.20563	1.9
437.03012	0.7
450.26523	0.6
521.25214	90.4
522.25433	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	521.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.7
59.01252	26.6
59.56140	1.3
60.99170	1.7
61.98716	5.3
71.01252	10.9
71.57970	2.0
72.99172	3.3
73.02839	2.5
75.00743	5.7
78.95777	2.0
83.01254	3.1
85.02821	9.0
86.26352	1.5
87.00750	2.9
88.98689	6.3
89.02329	11.8
97.02835	4.6
98.19932	2.1
99.00764	8.3
101.02345	6.8
108.04440	2.6
111.00766	2.2
113.02348	4.9
119.03430	3.3
122.06022	8.2
125.09667	1.7
128.03471	1.8
129.01791	1.5
133.04988	6.9
134.06050	1.8
136.07600	2.7
137.02357	2.5
142.02611	1.6
143.04530	2.3
152.07086	8.3
153.05446	2.9
161.04465	2.0
162.09119	4.1
163.11174	7.2
175.00360	1.8
180.06555	5.6
181.12250	18.8
190.02670	4.7
191.01921	2.7
205.04973	4.4
206.62575	1.4
207.10201	40.3
208.10522	2.3
209.02882	1.8
225.11281	100.0
226.11627	8.6
229.08607	2.1
230.09059	2.9
235.08258	1.9
243.12419	11.5
253.09282	7.2
256.06955	1.6
269.12885	1.9
270.68973	1.8
272.08896	2.9
281.13074	1.7
297.12466	1.9
313.12076	1.7
316.02048	1.5
322.77036	1.5
367.10226	1.7
435.29178	1.6
446.17108	1.6
450.20346	3.2
461.20288	48.2
462.14944	1.5
462.20590	7.0
478.19800	25.4
521.09528	2.0
521.22986	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	521.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52411	3.3
59.01250	100.0
60.01584	5.4
71.01249	25.5
71.57887	4.7
73.02827	20.7
75.00729	7.3
78.95786	11.0
83.01265	7.9
85.02840	10.3
89.02322	6.6
95.72199	3.8
101.02329	23.8
113.02309	14.6
119.03425	4.6
122.05987	4.7
149.04489	3.7
152.99522	8.2
161.04422	8.7
290.85175	3.5
293.21210	10.4
296.74384	3.8
301.03192	4.6
361.16489	4.4
521.24829	8.7
535.28375	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	521.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	0.3
59.01259	1.3
70.25378	0.9
71.01261	1.1
72.00779	3.4
73.02832	0.2
74.02336	5.3
74.04548	0.2
75.00761	0.3
78.95778	0.4
85.02847	1.0
89.02353	0.5
98.20100	0.5
101.02333	0.7
111.00771	0.3
113.02310	0.5
116.04946	15.8
117.05267	0.4
118.21576	0.2
119.41068	0.2
130.06505	0.6
142.06525	4.2
143.06868	0.2
145.07185	0.3
149.43321	0.2
159.09189	5.4
161.04568	0.4
162.09303	0.2
186.05511	0.9
201.14903	0.2
203.08195	100.0
204.08548	5.3
209.03038	0.2
309.12439	19.5
310.12674	2.1
353.31735	0.3
359.28372	0.5
415.16565	0.6
446.17911	0.3
521.33234	2.6
522.25586	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00576	1.8
58.82327	1.9
59.01256	85.1
66.80415	1.7
69.57973	8.8
69.58406	6.3
71.01264	2.4
73.02849	2.4
78.95773	8.7
83.04945	2.7
85.02879	2.2
89.02340	2.4
110.93510	1.8
134.81868	2.0
151.07562	4.8
152.99506	4.4
171.10188	2.2
177.51762	2.2
206.46243	1.8
237.58789	2.2
269.11823	100.0
270.12198	7.9
281.11856	19.5
282.11911	2.5
521.25867	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	521.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	4.6
59.79811	1.3
59.90187	1.1
64.36734	1.0
67.17327	1.2
71.01247	5.6
71.56910	1.9
73.02809	2.1
78.95776	4.4
84.63381	1.1
85.02841	1.2
96.44400	1.1
96.95911	2.1
101.02357	2.6
103.06038	1.2
106.08817	1.3
113.02303	1.7
121.02858	3.4
122.98428	1.4
123.00816	1.4
134.03670	1.4
135.04399	5.6
136.05190	1.8
147.04430	3.4
149.02347	2.6
150.03136	8.3
152.99487	1.8
158.03668	2.7
159.04410	7.8
160.05220	30.1
161.05963	9.2
163.03893	6.4
164.04695	5.0
173.06023	3.6
175.07576	29.1
177.05502	8.9
178.02708	1.4
178.06303	7.4
193.05049	1.2
193.08551	1.8
216.70148	1.5
329.13956	100.0
330.14182	8.1
359.15314	2.1
413.16135	1.9
431.17282	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30694	0.9
57.03311	2.9
57.95744	0.9
58.00475	4.6
59.01251	100.0
60.01585	1.8
61.98713	1.8
68.02519	0.8
71.01255	74.7
71.57635	1.3
72.01594	1.8
72.99183	9.5
73.02821	2.5
75.00736	3.0
75.37496	0.9
78.95782	1.0
83.01263	3.0
85.02822	17.1
87.00764	6.7
87.02811	1.0
89.02318	96.6
90.02666	1.6
93.03334	2.7
95.01266	3.3
96.95901	1.4
97.02843	1.3
99.00729	1.0
101.02324	44.5
108.02054	3.1
109.02843	2.1
111.00791	1.3
113.02328	30.5
115.00247	1.0
119.03390	42.0
121.02838	3.4
122.03645	1.2
123.04375	2.0
125.02335	1.4
128.03459	1.1
131.03369	5.2
133.04973	7.6
137.02335	5.2
143.03427	7.4
147.03003	1.2
149.04448	2.9
150.03064	1.0
155.05017	1.0
158.03581	1.2
159.04408	3.8
160.05203	7.9
161.04457	7.0
161.05861	2.1
172.05196	3.4
173.06018	3.0
175.07509	3.2
179.05539	17.5
187.07521	1.6
188.95934	2.1
189.05521	9.3
190.06311	10.3
191.01971	1.2
192.04384	1.0
199.13414	1.2
205.08644	6.9
209.02962	1.5
223.13376	1.3
243.12280	1.5
271.02512	1.3
281.08371	1.4
285.16992	1.7
296.10532	4.5
299.02063	1.2
310.46603	1.1
311.12744	4.7
316.02280	2.7
317.02942	1.7
329.14078	2.2
341.09836	2.2
341.13907	29.3
342.14279	4.9
405.17789	1.2
439.05701	1.1
521.09009	1.9
521.15228	1.1
521.22382	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	521.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03297	0.3
59.01242	1.1
69.52744	1.0
69.53181	1.1
71.01260	1.8
73.02808	0.5
75.00714	0.2
85.02831	1.7
89.02310	0.3
95.01248	0.4
101.02312	1.0
109.02795	0.3
111.00784	0.4
113.02334	0.9
116.78094	0.2
121.02841	3.5
122.03696	1.2
123.00778	0.9
123.04396	0.6
124.01540	0.8
133.04927	0.4
135.04402	0.4
136.01599	0.4
136.05197	0.9
137.02367	1.3
137.06032	0.4
143.04947	0.6
145.02901	0.4
146.03673	0.4
147.04442	1.8
149.02345	1.7
150.03122	5.3
151.03828	0.8
153.05457	0.5
158.03609	1.9
159.04405	7.1
160.05208	24.7
161.04446	1.1
161.05963	7.6
162.03146	0.3
162.06313	0.3
163.03911	4.1
164.04709	4.7
165.05165	0.4
173.05978	3.4
174.06339	0.5
175.07561	22.0
176.04689	0.8
176.07852	1.3
177.05504	6.5
178.06261	6.5
179.03331	0.3
179.06642	0.4
189.05232	0.3
191.01842	0.4
191.07050	0.3
192.07875	0.7
193.08638	2.9
194.85693	0.3
271.02405	0.6
299.12756	0.4
300.02740	0.7
313.12839	0.3
314.11655	0.9
329.13925	100.0
330.14264	10.9
359.11139	0.4
359.14993	2.9
360.15375	0.4
490.98856	0.3
521.10602	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08618	0.2
57.03315	0.4
59.01243	1.2
67.95325	0.2
71.01247	3.0
72.99179	16.0
73.02824	0.8
75.00745	81.5
76.01081	0.7
80.69268	0.2
83.01274	0.9
85.02802	1.7
87.00766	0.3
87.04431	0.3
93.03333	16.6
94.03687	0.4
94.25249	0.3
95.01257	0.5
95.04935	0.4
96.99204	0.7
99.00740	0.4
101.02319	3.4
108.02051	0.6
113.02328	1.7
115.03893	2.2
121.02823	1.1
123.04403	9.6
124.04780	0.3
133.04959	100.0
134.05298	3.2
136.01581	1.4
137.02338	26.0
138.02664	0.9
139.30644	0.3
147.04405	0.3
149.02338	0.6
161.47261	0.2
163.03810	0.3
191.03438	0.5
221.04352	0.5
281.06650	30.2
282.06979	2.2
314.42395	0.3
364.38815	0.3
405.11847	8.1
406.12106	1.2
463.12436	31.3
464.12851	5.2
503.15512	0.4
521.16583	6.9
522.16895	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12026	0.5
52.70258	0.5
57.03326	1.0
59.01250	6.8
61.98693	0.5
71.01258	3.8
71.04889	1.3
71.57524	0.8
72.99188	2.0
73.02826	1.1
75.00751	2.7
83.01249	0.8
85.02821	6.7
89.02336	1.9
93.03338	35.4
94.03674	1.1
96.95879	0.5
97.02861	0.5
99.00775	0.8
101.02331	2.4
106.06551	0.6
107.03653	0.6
108.08093	1.8
111.00764	0.9
112.93604	1.8
113.02333	1.1
115.00244	1.0
115.03894	19.8
121.02847	1.1
122.06020	2.5
123.04372	0.8
128.03410	0.9
129.01849	1.2
132.04471	1.3
133.04947	3.7
135.04407	0.8
137.02344	100.0
138.02689	4.2
143.04536	0.6
147.02928	0.7
147.06534	2.6
149.02350	1.8
150.05527	2.0
150.42227	0.5
151.03902	1.4
152.07079	6.3
163.11176	0.5
178.93561	0.5
179.03374	1.0
181.12273	1.6
191.01970	1.7
198.14496	0.5
207.10190	2.1
209.02965	1.6
225.11279	7.0
243.12415	0.9
253.07150	69.4
254.07491	5.2
266.06943	0.8
271.02536	1.7
273.03088	0.5
281.09326	2.8
293.09296	1.7
297.12369	0.8
299.02097	0.8
300.02338	0.9
301.02457	1.5
314.04312	1.0
315.04984	1.0
315.13397	2.4
316.05029	1.4
359.12933	0.8
446.17032	4.1
461.20459	3.8
478.19839	0.8
490.16058	1.5
521.16699	5.2
521.23914	1.4
521.33057	1.4
522.18109	2.3
522.25189	0.8
541.10681	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0944
Annotation	Quercetagetin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
57.03293	0.5
57.66825	0.4
58.47399	0.4
59.01246	3.0
60.01603	0.5
63.02269	0.7
65.00195	3.0
68.99685	0.7
69.28626	4.8
71.01245	1.1
72.99175	0.7
79.78175	0.4
83.01250	1.4
85.02811	1.8
86.03210	0.5
93.03352	0.4
95.01270	1.6
96.95889	0.7
107.01280	3.4
108.02092	0.5
108.99203	0.6
109.02878	2.3
109.99982	14.8
111.00767	6.2
121.02855	0.9
123.00772	2.9
124.01582	2.2
125.02319	2.9
125.99509	0.6
133.02820	0.9
135.00763	0.7
136.01563	0.9
136.98718	2.7
137.02330	1.5
137.99490	4.5
139.00266	17.0
140.00652	0.5
141.01866	0.6
141.03404	0.5
141.98993	0.7
143.04973	0.7
145.02881	0.5
146.03644	0.5
147.00768	0.9
147.02968	0.6
147.04404	0.6
148.00444	0.5
148.01549	1.5
149.02367	1.1
151.00269	12.0
151.03854	0.8
151.51698	0.5
152.01093	3.8
153.01741	0.5
155.04869	0.5
159.04488	0.9
161.02336	1.3
163.00307	2.6
164.01082	3.2
164.98175	1.4
165.01837	1.0
165.98990	21.1
166.99776	7.4
168.00128	0.4
169.01300	1.2
171.04424	1.7
173.02292	0.6
174.03082	1.2
175.03900	1.1
176.01088	0.8
177.01865	0.6
178.99780	15.5
180.00342	0.5
183.04378	0.4
184.84753	0.5
185.00859	0.5
185.02330	0.8
186.03142	0.8
187.03928	2.1
188.04494	0.5
189.01898	0.5
190.02615	0.7
190.99760	0.7
192.00684	0.9
193.01259	1.3
193.98482	1.6
194.99303	2.1
198.03108	1.5
199.03915	4.4
200.04475	0.8
201.01845	3.6
202.02657	0.9
203.03394	2.0
204.03874	0.7
206.99280	1.9
208.00024	1.0
209.02876	0.7
213.01842	0.7
214.02681	2.1
215.03387	3.0
216.04134	1.5
217.01294	0.8
217.05093	0.6
218.02130	0.5
219.02960	0.7
226.02635	1.0
227.03464	6.3
229.01369	1.1
230.02092	0.8
231.02988	2.8
232.03593	1.6
241.01251	0.6
242.02103	4.3
243.02971	9.0
244.03522	2.2
245.01033	0.5
245.04462	1.3
247.06149	0.7
255.03009	4.1
256.03354	0.6
259.02451	5.0
260.03030	1.4
261.03986	0.7
268.10580	0.8
270.01651	8.8
271.02463	45.1
272.03021	5.2
273.04004	2.5
278.37244	0.5
280.10605	0.6
287.01971	25.6
288.02505	5.5
289.03320	0.8
297.03784	0.7
299.01947	29.3
300.02435	2.3
301.03656	0.7
315.01465	1.9
315.04785	0.5
316.02216	100.0
317.02936	58.4
318.03357	3.5
341.02997	1.1
359.03802	0.5
395.06296	0.6
477.10721	0.6
479.08405	5.5
480.08530	0.8
503.08521	1.3
521.09363	88.8
522.09711	11.1
546.47516	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	0.6
60.41438	0.5
70.15328	0.9
70.15730	1.2
78.95776	59.0
88.98669	1.6
96.96845	4.0
125.97516	0.4
150.97878	1.0
152.99492	67.0
153.99815	0.9
171.00578	2.2
184.03722	2.4
209.13007	0.4
213.83147	0.4
240.06398	7.5
241.21680	1.1
258.07495	2.0
279.23285	100.0
280.23627	7.0
431.22104	1.4
433.23541	21.4
434.24060	1.5
520.30536	35.3
521.30823	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	520.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44547	0.5
59.01256	1.3
60.92429	0.5
78.95779	52.5
83.87732	0.5
88.98680	3.0
93.49462	0.5
96.96849	6.4
98.19814	1.1
130.73999	0.6
150.97964	1.6
152.99495	92.5
153.99828	1.5
165.62959	0.5
171.00577	2.5
178.76357	0.5
184.03757	0.9
240.06378	1.2
258.07495	2.1
260.94333	0.6
279.23297	100.0
280.23593	6.5
324.54355	0.5
403.37451	0.6
431.22079	1.8
433.23608	25.3
434.24066	2.5
520.30835	11.2
521.31213	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	520.268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66180	0.5
64.13296	0.5
78.95776	67.4
87.47442	0.5
88.98687	2.1
90.44257	0.5
96.96845	6.4
98.20635	1.3
103.71867	0.5
119.95192	0.5
135.56332	0.4
144.15096	0.5
150.69756	0.4
150.97946	1.2
152.99498	100.0
153.25792	0.5
153.27081	0.5
153.99832	1.8
155.00351	0.4
171.00552	3.3
188.71710	0.5
277.22037	0.5
279.23230	3.0
431.21979	1.4
433.23593	37.4
434.23840	3.6
520.26691	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	520.268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84234	0.3
57.95329	0.4
59.01242	2.1
60.82251	0.3
70.20127	1.3
71.01257	1.0
78.95777	49.5
79.90631	0.4
88.98698	0.9
89.02311	1.2
92.31097	0.3
93.72827	0.3
96.96844	5.7
100.63090	0.3
101.02300	0.5
119.03361	0.7
119.94437	0.4
126.14069	0.4
150.97958	2.2
152.99493	100.0
153.99828	1.1
171.00574	4.3
184.03706	1.1
240.06418	0.8
258.07440	1.9
278.22052	0.6
279.23285	76.3
280.23642	5.1
296.25845	1.0
297.84497	0.5
319.95157	0.4
340.24918	1.7
431.22018	0.5
433.23596	20.2
434.24091	2.6
520.31049	9.6
521.30847	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96632	0.3
59.01247	1.9
60.99218	0.5
69.47625	0.9
69.48050	1.9
78.95778	64.4
80.16553	0.3
86.68971	0.3
88.98660	1.9
96.96843	5.2
98.20492	0.7
104.67767	0.3
147.01259	0.3
150.97913	2.1
152.99495	100.0
153.99847	1.3
171.00592	2.8
241.04100	0.4
249.87886	0.3
279.23294	3.8
280.23611	2.4
281.23703	0.3
431.21768	1.1
433.23587	37.4
434.23996	3.3
520.26770	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32926	0.4
59.01245	1.8
69.40852	1.3
69.41264	2.6
78.95779	59.6
81.83792	0.4
82.87251	0.4
88.98633	0.4
92.40784	0.4
96.96850	5.2
98.20666	0.7
112.07520	0.4
137.39009	0.4
147.30168	0.4
150.63937	0.5
150.97966	1.8
152.99496	100.0
153.99825	1.2
171.00566	2.6
197.22661	0.5
233.73627	0.5
240.03632	0.5
279.23276	2.8
280.23651	0.8
433.23593	38.7
434.23907	3.8
515.26276	0.5
520.26465	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	520.268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92118	1.8
53.18151	2.1
53.24593	2.0
54.31795	2.2
55.01774	2.2
57.03308	3.8
59.01254	12.9
60.20514	1.8
71.01252	4.6
71.04902	18.6
71.57493	3.3
78.95776	68.5
83.04906	4.3
85.61986	1.9
95.04874	2.5
96.96881	2.4
97.06477	9.8
104.66777	2.3
107.04868	4.9
109.53693	2.0
111.04368	3.3
112.66466	2.0
121.10095	2.4
122.00029	3.0
123.08048	3.8
125.09630	5.2
131.21478	2.3
140.01082	18.3
149.09608	2.7
151.11177	2.6
152.99471	16.8
177.12764	13.0
181.12320	2.3
196.03716	29.6
207.13863	3.9
214.04724	9.9
219.13806	3.4
233.15295	3.8
235.16956	3.5
249.14720	2.9
265.18069	10.4
273.18619	6.5
291.16391	2.3
291.19662	48.4
292.19980	4.9
294.14185	2.7
305.21201	17.5
306.91486	2.1
323.22247	97.2
324.22531	8.6
520.26733	100.0
521.27026	9.7
540.51447	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	520.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02849	15.6
59.01256	5.1
61.93036	2.3
62.11811	2.8
66.03352	2.8
70.79344	4.7
70.79706	5.0
71.01244	3.4
74.02346	32.1
78.95759	3.1
81.04455	3.0
82.02887	3.6
82.53716	2.2
85.03963	2.6
86.02353	13.1
87.05515	6.4
97.03918	2.5
99.05512	21.5
101.07079	5.3
102.05482	3.8
109.03983	5.1
111.05508	3.9
125.03472	5.0
127.05006	6.3
128.02499	4.5
128.03427	75.7
129.54497	2.2
132.35883	2.1
135.05544	9.5
141.06599	4.8
143.04526	93.6
144.04828	3.0
145.06094	3.0
146.04477	9.8
152.99510	3.0
153.06570	6.7
166.09734	4.1
167.04492	4.5
167.08067	4.6
179.04543	26.9
181.06087	3.5
185.05614	5.4
195.13815	2.5
197.05536	6.6
207.26559	2.6
210.08783	24.4
213.14949	5.5
247.13721	13.3
254.05147	3.2
254.07800	61.2
272.08862	82.0
273.09103	5.9
307.07938	2.7
308.07501	12.2
391.18976	11.3
502.22150	12.5
520.23230	100.0
521.23596	11.1
538.22406	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02289	1.1
58.99461	1.7
59.01251	3.4
60.36675	1.1
61.98713	1.4
71.58187	1.9
72.46899	1.1
78.95776	14.3
85.20593	1.1
95.22188	1.1
125.80540	1.1
128.03549	1.2
152.99460	8.3
157.08652	1.1
195.13835	3.3
224.06847	1.9
275.20053	1.5
277.21771	4.0
285.16748	3.0
292.19955	3.2
293.21289	5.4
294.21509	3.3
295.22775	19.0
303.17850	27.6
304.18246	3.4
347.16824	100.0
348.17087	8.4
434.20242	5.7
446.77194	1.1
476.21085	43.4
477.21381	4.6
520.24744	1.6
520.30682	12.9
521.25208	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	519.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00944	1.3
59.01254	100.0
71.57812	1.3
71.58174	1.7
78.95782	9.5
87.15331	1.2
95.04958	1.6
96.95908	1.6
106.10185	1.3
152.99487	7.0
153.73978	1.2
155.09178	1.7
156.06882	1.4
185.15378	3.2
194.45798	1.4
198.59991	1.4
213.80135	1.3
224.06874	2.3
259.13409	1.7
261.14944	2.1
292.20416	1.6
293.21237	8.5
294.21619	15.9
295.22662	6.0
334.34180	1.5
354.61053	1.2
431.31628	1.8
475.30814	3.3
519.29285	4.6
520.30005	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22855	0.7
52.99414	0.8
59.01252	100.0
65.51361	0.7
69.28442	8.7
78.95785	3.0
100.50709	0.8
152.99503	3.8
163.17592	0.8
171.10150	1.0
184.20171	0.8
224.21413	0.7
337.65161	0.8
423.32690	1.1
459.35040	0.9
460.35422	0.7
519.26215	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	519.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
64.19343	3.8
71.57657	7.0
75.00740	3.8
78.95795	16.3
93.87556	3.3
138.56107	3.0
142.36852	2.9
149.26215	4.2
152.99500	13.3
178.39496	3.2
304.24060	13.8
368.68082	3.3
441.33643	11.5
459.35052	17.6
469.75876	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29230	0.4
55.01774	0.4
56.59902	0.4
58.07455	0.4
59.01244	1.3
63.01878	0.4
63.14563	0.4
71.04899	1.7
75.30915	0.4
78.95772	0.4
83.04907	0.7
97.02219	0.6
97.02826	4.9
97.06443	0.7
97.95432	0.4
98.19790	0.9
99.00755	15.8
102.93460	0.4
107.78269	0.4
109.06492	1.2
110.03617	1.4
111.04476	0.4
125.09611	4.5
126.99474	1.3
135.08046	0.8
136.05199	1.1
142.02603	1.8
153.12659	0.4
155.14337	1.1
163.11180	7.3
167.41237	0.4
181.12257	17.4
182.12621	1.2
195.13831	1.4
197.11807	0.9
199.13344	7.6
207.10194	40.4
208.10654	2.2
223.13344	0.8
225.11269	65.5
226.11606	4.2
229.61411	0.6
229.63586	0.6
243.12343	100.0
244.12663	6.5
275.20114	1.2
293.21210	21.1
294.21649	1.7
519.33221	36.7
520.33624	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.7
68.02407	0.6
71.04887	1.1
72.57783	0.3
78.95810	0.7
83.04885	0.3
85.39166	0.3
90.77035	0.3
97.02830	2.6
97.06449	0.8
99.00753	12.7
103.10793	0.3
109.06462	0.8
110.03618	0.7
110.98459	0.4
123.08067	0.5
125.09621	3.2
126.99469	0.5
128.99158	0.7
135.08131	0.3
136.05186	0.7
142.02623	0.7
152.99442	1.4
153.12833	0.3
155.14304	0.7
161.09579	0.3
163.11172	3.9
181.12257	10.6
182.12540	0.6
197.11774	0.5
199.13315	6.0
200.13863	0.3
207.10201	22.7
208.10501	1.8
225.11264	43.3
226.11629	3.5
243.12334	100.0
244.12686	6.8
257.83563	0.3
275.20105	0.6
282.64346	0.3
293.21295	0.9
333.06989	0.4
334.07257	0.4
398.10373	0.3
418.79288	0.3
420.17081	0.3
519.33197	3.0
520.33582	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	2.1
55.55700	0.9
56.64043	1.0
57.03330	2.5
58.00462	3.7
59.01254	52.5
60.87349	1.0
70.30091	0.8
71.01257	62.7
71.58118	1.5
72.53792	0.9
72.99167	4.2
73.02445	1.3
73.02822	17.5
78.95786	7.0
83.01254	7.3
85.02828	20.0
87.00755	4.4
87.04394	5.3
88.01105	1.0
88.47026	1.0
89.02316	35.4
95.01250	5.9
95.04919	1.2
96.96849	1.6
99.00761	4.5
101.02324	33.1
103.03933	1.7
113.01617	1.8
113.02333	20.0
113.05931	1.0
119.03403	17.5
131.03423	2.4
143.03374	2.9
143.04504	1.4
149.04448	2.8
152.99524	2.4
159.02928	1.6
161.04501	7.5
170.98967	0.9
171.10252	1.0
179.05579	7.1
209.11737	1.5
221.15437	1.2
223.13324	4.6
265.07431	1.3
291.19885	1.0
323.18622	2.1
357.26453	44.0
358.27115	4.6
387.15430	1.0
519.24500	6.3
519.31738	100.0
520.23230	3.5
520.32104	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	519.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12095	0.3
57.03322	0.7
59.01250	51.7
60.01592	1.2
61.01686	0.6
61.98705	0.5
65.00213	1.5
71.01252	5.4
72.99192	0.4
73.02813	2.2
78.72183	0.3
78.95786	1.0
83.01273	1.3
84.62389	0.3
85.02811	4.0
89.02314	1.9
93.03330	2.0
95.01257	0.8
97.02844	1.3
98.20646	0.8
99.00786	0.9
99.04366	0.3
101.02326	4.2
107.01299	0.5
109.02827	2.6
111.00779	1.2
112.93666	0.5
113.02328	3.0
114.40353	0.3
115.80437	0.3
119.03377	0.8
121.02849	3.9
122.03178	0.4
125.02337	0.5
133.02837	0.5
135.00807	0.5
135.04465	0.5
137.02344	1.9
147.00833	0.6
148.01569	0.4
149.02403	0.7
149.99532	0.4
151.00266	1.4
153.01846	0.4
161.02344	0.5
161.04466	1.1
163.00284	0.6
163.04012	0.4
165.01849	13.9
166.02223	1.1
171.04427	1.2
175.03900	0.7
183.03017	0.5
183.04498	0.5
183.46631	0.4
187.03854	0.5
191.01910	0.4
191.03584	0.4
193.01411	2.5
197.02701	1.1
198.03159	0.4
199.03937	3.3
201.01843	0.9
203.03450	0.9
207.02934	1.4
214.02713	0.6
215.03407	2.4
222.05394	0.4
225.01851	0.5
226.02617	1.7
227.03426	4.1
228.03848	0.5
229.01469	0.6
229.65063	0.5
237.07635	1.0
242.02126	0.9
243.02940	7.7
244.03407	0.8
254.02205	1.9
254.16402	0.4
255.02895	2.6
255.05365	0.4
256.03674	0.6
257.04218	0.4
259.06027	0.4
269.04489	2.3
270.01639	1.0
270.04587	0.6
271.02469	76.6
272.02847	7.0
278.81848	0.4
281.06604	0.8
282.01816	0.6
285.03940	2.9
286.04550	0.8
287.05502	1.0
288.05630	0.4
296.02878	0.4
297.03934	1.0
299.01959	100.0
300.02493	17.1
300.06070	0.5
301.03119	0.7
313.03546	0.5
313.53540	0.4
314.04306	90.0
315.05038	54.0
316.05429	4.6
319.62720	0.4
325.02341	1.3
339.03888	0.8
340.04568	2.8
355.03882	0.4
356.04672	0.8
357.05429	2.1
357.26447	0.4
381.22870	0.4
399.18640	0.5
399.23813	8.3
400.24332	1.1
417.24902	5.1
459.09390	0.5
459.26123	1.1
477.10382	4.9
478.10864	0.6
519.11407	62.9
519.22546	4.0
519.31927	1.7
520.11639	12.7
520.23535	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.1
59.01250	100.0
60.01603	1.2
61.53767	0.6
61.98707	1.3
71.01250	6.3
71.57986	0.7
71.58383	0.8
72.99186	1.2
73.02831	1.9
75.00726	0.7
80.96384	0.9
83.01247	1.3
85.02822	7.4
87.04395	0.8
89.02319	2.3
93.03352	1.2
96.95886	3.0
99.00751	0.9
101.02294	3.5
109.02890	0.8
111.00759	0.8
112.48615	0.7
112.93608	0.9
113.02341	4.6
119.03385	0.7
129.01833	1.4
161.04483	1.5
165.01860	1.0
180.06995	0.6
183.01172	1.1
184.01921	0.7
191.01909	2.0
197.02733	1.2
197.11830	2.3
198.84714	0.7
209.02933	1.2
209.17529	0.7
219.07814	1.0
241.10803	4.7
271.02585	2.5
272.13431	0.7
299.02023	3.4
314.04395	3.5
314.69724	0.8
315.05130	2.5
357.17389	1.0
360.07144	0.7
399.23785	13.3
400.24203	1.7
401.21210	0.7
417.24939	3.4
459.26013	2.0
519.11407	2.8
519.22870	9.3
519.30182	1.2
520.23242	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12095	0.3
57.03322	0.7
59.01250	51.7
60.01592	1.2
61.01686	0.6
61.98705	0.5
65.00213	1.5
71.01252	5.4
72.99192	0.4
73.02813	2.2
78.72183	0.3
78.95786	1.0
83.01273	1.3
84.62389	0.3
85.02811	4.0
89.02314	1.9
93.03330	2.0
95.01257	0.8
97.02844	1.3
98.20646	0.8
99.00786	0.9
99.04366	0.3
101.02326	4.2
107.01299	0.5
109.02827	2.6
111.00779	1.2
112.93666	0.5
113.02328	3.0
114.40353	0.3
115.80437	0.3
119.03377	0.8
121.02849	3.9
122.03178	0.4
125.02337	0.5
133.02837	0.5
135.00807	0.5
135.04465	0.5
137.02344	1.9
147.00833	0.6
148.01569	0.4
149.02403	0.7
149.99532	0.4
151.00266	1.4
153.01846	0.4
161.02344	0.5
161.04466	1.1
163.00284	0.6
163.04012	0.4
165.01849	13.9
166.02223	1.1
171.04427	1.2
175.03900	0.7
183.03017	0.5
183.04498	0.5
183.46631	0.4
187.03854	0.5
191.01910	0.4
191.03584	0.4
193.01411	2.5
197.02701	1.1
198.03159	0.4
199.03937	3.3
201.01843	0.9
203.03450	0.9
207.02934	1.4
214.02713	0.6
215.03407	2.4
222.05394	0.4
225.01851	0.5
226.02617	1.7
227.03426	4.1
228.03848	0.5
229.01469	0.6
229.65063	0.5
237.07635	1.0
242.02126	0.9
243.02940	7.7
244.03407	0.8
254.02205	1.9
254.16402	0.4
255.02895	2.6
255.05365	0.4
256.03674	0.6
257.04218	0.4
259.06027	0.4
269.04489	2.3
270.01639	1.0
270.04587	0.6
271.02469	76.6
272.02847	7.0
278.81848	0.4
281.06604	0.8
282.01816	0.6
285.03940	2.9
286.04550	0.8
287.05502	1.0
288.05630	0.4
296.02878	0.4
297.03934	1.0
299.01959	100.0
300.02493	17.1
300.06070	0.5
301.03119	0.7
313.03546	0.5
313.53540	0.4
314.04306	90.0
315.05038	54.0
316.05429	4.6
319.62720	0.4
325.02341	1.3
339.03888	0.8
340.04568	2.8
355.03882	0.4
356.04672	0.8
357.05429	2.1
357.26447	0.4
381.22870	0.4
399.18640	0.5
399.23813	8.3
400.24332	1.1
417.24902	5.1
459.09390	0.5
459.26123	1.1
477.10382	4.9
478.10864	0.6
519.11407	62.9
519.22546	4.0
519.31927	1.7
520.11639	12.7
520.23535	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86769	73.8
56.40694	83.4
56.46722	74.7
57.72768	64.0
59.25167	66.6
65.36411	74.4
67.65085	74.1
81.87066	86.8
131.75201	92.0
229.40877	100.0
236.19769	92.8
339.20071	84.0
519.32391	84.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.6
59.01249	100.0
60.01584	1.4
70.60389	0.6
71.01248	1.9
73.02814	1.2
78.95776	0.4
83.01265	0.4
85.02838	0.9
87.00790	0.3
89.02324	0.4
89.59823	0.2
93.03374	0.4
99.04426	0.3
101.02311	2.1
102.02708	0.3
109.84605	0.3
111.00735	0.4
113.02343	0.9
125.02365	0.4
131.03456	0.3
152.99498	0.4
161.04472	0.4
165.01912	0.3
271.02560	1.1
299.01993	1.6
314.04333	2.5
315.05048	1.3
515.86707	0.3
519.11603	1.6
519.24200	0.7
519.31671	0.7
520.22510	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02211	0.7
52.43070	0.7
57.03312	1.4
58.00440	0.7
59.01250	31.7
61.98705	1.1
65.00214	0.8
69.03328	1.3
69.94353	3.3
71.01254	7.7
72.99180	1.1
73.02810	2.2
83.01280	1.7
85.02832	4.9
87.00740	0.9
89.02321	6.3
93.03336	0.8
95.01263	1.0
96.95896	1.9
97.02776	0.6
101.02316	6.0
109.02832	1.0
109.99960	1.8
111.00784	0.9
113.02311	3.4
119.03386	2.3
121.02876	1.4
123.04409	1.7
133.02852	1.7
136.01471	0.9
136.98674	0.9
147.04419	1.0
149.09631	0.6
151.03917	1.0
161.02272	0.8
161.04451	1.9
164.98203	4.2
165.01820	6.2
165.99014	3.6
166.42772	0.7
167.10701	3.3
171.04413	1.2
178.99835	1.3
179.05487	1.7
179.10675	2.4
179.14330	2.7
180.00574	1.7
191.01617	0.6
193.01305	2.0
195.13843	9.3
196.14168	1.0
197.07774	0.7
199.03940	2.1
205.12245	9.0
206.12666	0.8
208.00122	0.8
215.03474	3.9
223.02417	1.0
223.13351	100.0
224.13737	6.5
226.02731	1.0
227.03455	3.9
228.03827	0.8
235.08231	0.9
240.04228	0.7
243.02905	9.4
253.09262	19.9
254.02179	2.3
255.02983	9.7
256.03442	1.3
269.04553	0.9
271.02475	48.1
272.03082	8.2
285.03983	1.3
287.05371	0.8
296.03192	0.8
297.04233	0.9
299.01971	69.6
300.02594	16.0
304.02045	0.9
314.04312	55.8
315.05081	64.6
316.05447	5.5
357.13644	1.0
357.26450	2.5
459.22272	10.7
477.10291	1.6
519.11420	43.3
519.31799	7.5
520.11816	6.2
520.31592	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70117	1.1
58.00475	2.0
59.01256	29.7
59.86672	1.1
60.81748	1.1
61.98723	1.7
69.03310	1.2
71.01259	22.6
72.99185	1.5
73.02812	3.1
75.00749	1.8
78.95783	8.2
81.03288	1.6
83.01223	1.2
85.02834	3.2
87.00755	2.1
89.02320	30.6
89.76765	1.1
96.95921	1.2
97.02808	1.6
98.20632	2.1
101.02328	8.4
113.02338	5.5
124.01473	1.4
125.02380	7.0
128.03394	2.2
131.03410	11.4
131.86182	1.1
140.33829	1.1
142.06744	1.3
149.04469	13.9
152.99474	4.7
165.09134	100.0
166.09460	4.3
185.11671	2.0
188.67543	1.2
191.05544	4.0
293.08795	24.0
294.09091	2.8
305.17715	2.4
519.22168	1.6
519.30365	2.6
520.23303	4.6
530.27094	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02747	3.3
53.51529	2.6
54.97956	2.8
59.01252	100.0
69.24245	32.6
71.01256	35.9
72.99192	3.9
73.02819	34.8
78.95782	7.2
81.95231	2.9
83.01273	12.1
83.59789	2.5
85.02831	7.3
87.00829	2.5
89.02322	12.5
101.02318	37.1
101.55725	3.2
106.06507	3.6
107.04900	9.0
113.02304	17.6
119.03413	6.2
128.03419	10.3
134.03625	29.7
135.04425	28.9
138.87566	2.7
139.86664	3.0
143.03401	4.2
147.04410	8.2
149.04698	2.7
149.06009	4.0
152.99446	3.9
161.04483	10.4
165.05481	6.7
239.10904	3.6
252.62817	3.2
267.07339	3.5
267.10239	73.8
268.10577	3.4
400.20764	3.7
411.14523	10.8
429.15744	5.1
471.16577	11.1
477.17554	4.2
519.18860	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	519.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02859	4.9
59.01255	50.5
61.66243	4.5
71.01258	41.8
71.13177	9.5
71.13515	4.5
73.02842	6.2
74.02345	6.2
77.90260	4.3
78.95795	10.1
83.01254	7.1
83.04890	5.3
85.02810	23.5
86.02334	5.7
87.04402	8.9
89.02327	20.7
97.02859	4.6
99.00753	6.5
101.02333	17.0
113.02343	14.7
119.03391	8.0
128.03435	14.6
129.03802	5.3
143.04538	16.5
144.04869	5.1
152.99515	8.1
159.10226	6.5
161.04538	8.5
168.57692	5.0
177.03282	8.1
189.11234	11.8
196.06906	4.9
206.22043	5.7
226.27150	5.3
248.65359	4.4
256.10248	5.1
267.10056	5.5
272.09006	7.9
273.09198	8.1
306.07690	14.3
307.08090	9.8
357.26489	42.4
519.31702	100.0
520.31757	6.0
533.22266	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	519.1874
Annotation	(-)-Pinoresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.88931	3.7
52.56069	4.3
54.41206	4.5
54.73693	4.3
59.01250	37.3
70.06994	19.8
71.01254	18.9
74.02359	6.1
78.95760	10.3
85.02840	5.8
87.00748	3.9
89.02313	25.9
93.03330	4.4
101.02320	13.0
113.02332	13.7
119.03360	6.5
121.02844	6.4
128.03427	7.2
136.01569	74.8
143.04501	9.1
151.03917	100.0
152.99469	9.0
223.07706	5.3
248.07953	7.8
267.10052	5.1
279.10468	5.3
286.10284	4.3
306.07687	4.5
307.08051	6.1
342.11075	6.9
357.13394	94.1
358.13770	8.8
519.23804	5.4
521.11652	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	519.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33848	0.3
54.34709	0.3
57.70866	0.3
58.33339	0.3
59.01250	100.0
60.01586	1.3
69.46085	0.6
69.46489	1.9
71.01257	0.3
85.02824	1.4
90.52393	0.3
93.03327	5.5
115.05431	1.4
117.03401	0.4
119.04919	4.8
130.04150	1.7
131.04929	10.9
132.05252	0.5
143.04924	2.0
149.05988	3.4
155.04921	0.6
207.08092	0.5
211.07498	0.6
219.08299	0.4
223.07616	1.9
231.08127	0.4
233.09599	0.4
237.09180	5.8
238.09497	0.6
243.08278	0.3
248.08342	1.5
249.09181	31.7
250.09482	3.1
259.07669	0.8
260.08279	0.7
261.09189	2.9
262.09494	0.4
267.10248	81.8
268.10568	9.8
279.10254	44.9
280.10635	5.6
297.10989	0.5
305.31519	0.3
363.37439	0.3
490.75433	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1144
Annotation	6-Methoxykaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
51.44724	0.2
57.03313	0.4
59.01252	4.3
61.98687	0.4
63.02260	0.3
64.99933	0.3
65.00217	0.9
71.01254	1.1
71.41714	0.4
74.51715	0.3
80.96404	0.4
83.01254	0.5
83.92619	0.3
85.02826	1.7
89.00191	0.4
89.02314	0.6
93.03336	0.7
96.95892	0.4
97.02826	0.5
101.02325	0.8
107.01268	0.5
108.02128	0.3
109.02832	2.4
109.19823	0.3
111.00788	0.6
112.87962	0.3
121.02838	3.9
125.09585	0.3
129.01759	0.3
133.02827	0.4
135.00740	0.5
139.03870	0.4
143.93948	0.3
147.00739	0.5
148.01579	0.3
149.02368	0.7
149.99501	0.4
151.00262	1.1
161.02377	0.3
161.04491	0.3
163.00246	0.8
165.01845	10.8
166.02103	0.3
171.04402	1.0
175.04016	0.5
183.02896	0.7
183.04411	0.5
187.04048	0.3
190.99953	0.3
191.01935	0.3
193.01392	2.4
198.03169	0.4
199.03963	2.9
201.01892	0.9
203.03471	0.5
210.93033	0.3
211.13496	0.3
213.02046	0.2
215.03404	2.2
221.04579	0.4
226.02655	1.3
227.03444	3.9
228.04054	0.7
242.02144	0.8
243.02943	7.2
244.03380	0.6
254.02252	1.9
255.02907	2.7
256.03696	0.5
257.04404	0.4
259.06024	0.6
268.03784	0.3
269.04480	2.3
270.01666	0.9
271.02472	69.9
272.02850	5.8
272.26483	0.3
282.01587	0.4
285.04071	3.1
286.04639	0.6
287.05624	0.8
294.52710	0.3
297.03934	0.8
299.01956	100.0
300.02502	16.1
301.03146	0.7
313.03372	0.4
314.04312	96.7
315.05045	58.4
316.05444	5.2
342.93643	0.3
344.53571	0.4
357.06229	0.9
380.60245	0.3
477.10461	4.9
478.11136	0.7
519.11426	70.7
519.31879	3.2
520.11810	11.9
520.19666	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1141
Annotation	6-Methoxykaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
51.60093	0.5
59.01248	1.0
69.47532	4.4
80.12391	0.6
83.01253	1.1
85.02840	1.3
89.02328	0.7
100.48952	0.7
107.01240	1.1
114.34794	0.6
128.03412	0.7
134.24362	0.6
142.69583	0.5
143.04532	1.0
145.02853	1.0
151.00233	5.7
153.01801	0.6
163.00380	0.7
171.04440	0.8
183.04482	1.8
187.04002	0.7
189.01978	0.8
197.02644	0.9
198.53854	0.6
199.03957	8.6
209.02957	0.6
215.03391	3.0
226.02698	0.7
227.03459	6.4
242.02171	3.3
243.02963	31.0
244.03398	3.5
254.02203	0.8
255.02974	14.9
256.03421	1.9
257.04553	4.6
270.01602	3.4
271.02460	41.6
272.02945	5.1
277.53790	0.6
285.04022	10.4
286.04825	2.6
287.05673	1.1
299.01959	69.6
300.02689	29.9
300.05728	0.5
301.02997	1.9
306.07660	0.7
313.03384	0.8
314.04306	65.9
315.05069	100.0
316.05432	10.3
357.06366	1.2
388.06961	0.6
519.11438	65.8
519.22308	3.9
520.11810	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	519.1144
Annotation	6-Methoxykaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
59.01251	36.8
69.94236	1.1
70.98792	2.4
71.01253	3.6
73.02809	1.6
73.80805	1.1
89.02303	1.7
101.02306	2.6
109.02820	1.5
121.02824	2.2
143.37300	1.0
151.00302	1.2
165.01857	9.0
174.23029	1.0
179.38727	1.2
190.11902	1.3
193.01195	1.5
199.03879	2.7
215.03438	1.4
227.03369	3.3
243.02968	5.8
249.79620	1.1
255.02994	1.4
269.04663	1.4
271.02478	66.5
272.02820	5.1
285.04138	3.5
299.01971	100.0
300.02411	13.1
314.04315	96.0
315.01309	1.8
315.05005	33.3
316.05539	2.3
372.60556	1.1
399.23999	3.7
417.24951	4.0
459.09476	9.7
460.09622	1.6
468.64847	1.1
519.11456	57.7
520.11847	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	519.1142
Annotation	6-Methoxykaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
59.01238	0.4
60.47318	0.1
60.62303	0.1
63.01999	0.2
63.02286	0.4
63.43430	0.1
64.99873	0.3
65.00185	1.6
71.01256	0.1
72.30574	0.1
80.70535	0.1
83.01296	0.2
84.90885	0.1
89.00209	0.4
91.01765	0.3
93.03336	0.4
93.64377	0.1
94.89902	0.1
97.02826	1.0
99.92976	0.1
102.25343	0.1
107.01250	0.7
108.02075	0.3
109.02135	0.1
109.02823	2.9
109.03568	0.2
109.99934	0.2
119.01279	0.2
121.02842	3.8
122.03190	0.2
133.02852	0.8
133.99944	0.1
135.00757	0.2
139.03928	0.3
143.04875	0.2
145.02881	0.2
147.00763	0.5
148.01578	0.3
149.02350	0.5
149.99500	0.5
151.00258	1.7
157.02876	0.2
161.02324	0.2
163.00291	1.0
163.03868	0.2
165.01839	11.2
166.02187	0.4
169.01367	0.2
171.04440	1.0
175.03912	1.1
177.01796	0.2
179.03328	0.2
183.02985	0.2
183.04451	0.5
187.03993	0.7
188.04366	0.2
189.01851	0.2
189.05423	0.1
190.02693	0.2
190.99760	0.2
191.03409	0.3
193.01347	2.0
194.01714	0.2
197.02409	0.4
198.03143	0.4
199.03917	4.8
200.04366	0.3
201.01884	1.2
203.03410	0.8
210.03198	0.1
211.03915	0.2
213.01828	0.2
215.03427	2.3
216.04163	0.4
225.01843	0.5
226.02661	2.3
227.03438	5.4
228.04057	0.6
229.01350	0.5
229.97916	0.2
231.02972	0.3
239.03448	0.2
241.01297	0.2
242.02200	0.9
243.02948	9.4
244.03401	0.9
254.02156	3.1
254.04883	0.2
255.02927	3.4
256.03561	0.5
257.04517	0.4
259.06125	0.4
269.04553	2.2
270.01663	1.2
270.04565	0.2
271.02460	94.2
272.02847	7.8
282.01639	0.8
283.02399	0.2
285.04028	2.4
286.04599	0.4
287.05563	0.9
297.04086	0.6
298.01004	0.2
299.01941	100.0
300.02475	14.3
301.03015	0.5
313.03491	0.4
314.04300	72.1
315.05020	43.2
316.05457	3.8
357.06372	0.6
477.10312	3.8
478.10696	0.5
519.11407	52.6
520.11768	8.9
520.19806	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.9
61.87374	0.4
61.98696	1.7
67.17905	0.4
69.68350	2.6
71.86534	0.4
78.95309	0.9
78.95776	12.7
95.40983	0.4
96.96844	0.9
98.20433	1.0
131.51663	0.4
135.93446	0.5
152.99498	13.3
171.00522	0.7
182.02142	1.0
238.04828	1.8
256.05939	1.3
279.23285	100.0
280.23621	8.3
290.17847	0.5
293.24902	1.3
433.23636	1.0
436.33804	0.5
482.19449	0.5
518.22449	0.6
518.28918	15.1
519.29181	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	518.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61632	0.4
59.01237	1.1
61.98702	1.3
71.57938	0.6
78.95779	11.9
96.96866	1.3
120.32011	0.4
128.76013	0.4
134.71844	0.4
152.98306	0.8
152.99500	10.7
171.00566	0.6
182.02190	1.5
238.04829	1.7
256.05835	1.8
279.23300	100.0
280.23672	7.5
284.52505	0.4
286.06857	0.4
293.24811	0.9
310.00842	0.4
418.33255	0.4
433.23361	0.6
518.28857	14.3
519.29047	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	518.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32272	0.5
53.45956	0.4
56.93203	0.4
59.01238	1.0
62.96281	0.5
69.73172	1.8
69.73582	1.1
78.95777	79.6
96.47821	0.5
96.96843	6.6
103.98542	0.4
127.07541	0.5
150.97914	1.8
152.99493	100.0
153.99863	0.8
171.00562	3.5
184.03719	1.7
240.06406	6.9
258.07587	1.4
259.20721	0.6
277.21716	71.8
278.22043	3.5
431.22012	24.9
432.22372	2.2
457.02328	0.5
474.96967	0.5
518.28979	26.9
519.28760	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	518.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.2
59.01257	1.3
64.40857	0.2
69.03341	0.3
70.73344	0.6
71.01244	0.3
71.04919	0.2
71.71038	0.2
77.69353	0.2
78.95778	13.5
79.59568	0.2
83.04892	0.3
87.90385	0.2
95.04893	0.3
96.96883	0.2
97.29311	0.2
102.22155	0.2
111.08026	0.6
113.09590	0.3
121.02787	0.2
125.09614	0.2
141.09091	0.2
152.99498	1.9
155.10728	0.2
167.10675	0.5
168.02870	0.3
168.04225	3.4
177.12808	0.4
179.10699	0.2
179.14342	1.1
181.12314	0.4
194.05789	0.2
195.13841	10.8
196.14352	1.1
205.12271	0.9
205.15840	0.5
210.29309	0.2
211.13345	0.7
223.13356	9.3
224.06883	2.9
224.13904	0.8
225.14992	0.2
228.13683	0.7
231.21054	0.5
235.16989	1.9
239.12779	0.3
242.07948	5.3
249.22403	0.2
256.13147	1.5
265.21793	0.5
275.20163	6.5
276.20483	0.5
291.19968	0.3
293.21231	100.0
294.18219	0.4
294.21564	8.4
341.62997	0.2
355.84851	0.2
386.82758	0.3
449.21948	0.4
518.28876	20.1
519.22577	0.3
519.29358	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	518.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84295	0.3
53.58699	0.3
59.01243	0.5
70.63422	0.5
78.95773	47.6
79.15096	0.2
80.67522	0.3
96.96840	5.7
98.20325	0.4
111.19571	0.3
118.87526	0.2
120.99165	0.2
150.97916	1.5
152.99486	100.0
153.99796	1.4
171.00552	3.4
199.50407	0.3
203.83894	0.3
277.21707	1.8
294.04007	0.8
299.02072	0.4
322.24768	0.3
431.22000	24.2
432.22278	2.5
442.75894	0.3
518.10638	0.3
518.24994	2.8
518.31555	0.4
519.26703	0.6
519.65308	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	9.2
70.10621	0.9
70.11036	1.7
78.95776	63.5
95.75469	0.5
96.96833	5.2
122.98427	1.0
150.97923	2.0
152.99492	100.0
153.99852	1.7
171.00554	2.9
209.78557	0.5
226.53006	0.5
240.06529	0.6
277.21762	9.1
278.22119	3.0
279.22433	0.6
431.22012	35.9
432.22269	3.1
500.01782	0.6
500.09109	0.5
518.25958	3.0
519.27338	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.1
59.44731	0.4
61.98678	0.4
65.49619	0.4
65.93367	0.4
78.95776	64.9
79.65423	0.4
94.91106	0.4
96.17668	0.4
96.96844	6.0
114.71600	0.5
150.97966	1.4
152.99489	100.0
153.99898	0.5
170.59706	0.5
171.00574	3.2
191.09441	0.4
240.77032	0.3
273.62128	0.4
277.21613	2.5
311.27008	0.4
313.02716	0.4
332.76974	0.4
345.73764	0.4
370.83740	0.5
431.22003	31.6
432.16980	0.6
432.22427	1.8
518.25439	1.8
519.27271	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	518.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02851	8.3
59.01243	1.9
71.01256	1.4
71.37167	1.3
71.37524	1.2
72.00780	1.2
72.59619	0.8
74.02345	19.0
75.00748	0.9
78.95795	1.7
82.02865	2.1
83.54971	0.8
86.02345	7.0
86.05992	1.1
87.05512	4.3
90.00071	1.1
93.23527	0.8
94.62104	0.8
97.03952	1.8
99.05524	16.2
101.02345	1.1
101.07090	3.2
102.05485	1.8
107.06038	1.3
109.03967	2.8
111.05521	1.4
112.03942	1.2
116.01681	1.4
123.05592	2.1
124.03932	1.1
125.03435	2.5
127.05031	3.5
128.03432	42.0
129.03780	0.9
135.05521	5.3
137.07092	1.5
141.06558	4.8
143.04529	60.4
144.04900	1.4
145.06064	2.3
146.04515	5.5
149.07077	0.9
152.99480	1.1
153.06596	4.3
160.00653	17.3
166.09790	2.8
167.04510	4.5
167.08163	1.9
170.03229	0.9
177.03300	6.8
179.04556	12.9
179.06052	1.3
181.06013	1.4
185.05597	2.1
192.07683	1.1
197.05626	1.9
210.08801	10.7
254.07785	18.2
272.08899	26.2
278.82236	0.8
288.06580	10.7
306.07651	100.0
307.07886	4.6
433.78824	0.9
501.56644	0.8
519.22699	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82235	1.7
59.01245	3.3
60.68328	1.8
65.27355	1.7
68.15005	1.7
71.56832	2.3
72.04411	4.4
72.99168	11.8
74.02343	47.4
75.00741	16.3
80.00327	1.7
81.32863	1.7
85.02802	3.0
85.19254	1.5
102.60132	1.5
115.03916	4.1
116.03425	69.0
116.07043	6.0
117.01835	2.8
117.02884	1.7
133.04961	100.0
134.05258	5.2
173.00883	1.8
212.89919	1.8
227.04800	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	517.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
69.34383	3.7
70.87377	5.2
70.87717	9.1
78.95780	36.3
92.72707	3.9
151.89433	4.8
152.99506	63.4
174.12784	4.1
178.44710	4.1
270.44800	4.2
300.01666	4.8
302.22525	10.6
435.25003	14.2
436.24866	4.4
439.32101	8.3
447.84647	4.2
457.33044	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	518.151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04478	0.7
57.03305	1.2
59.01251	7.5
70.96970	1.1
70.97270	1.3
71.01258	4.1
73.02821	1.2
85.02826	8.1
86.03176	1.2
87.00732	1.0
89.02307	2.6
96.95881	3.0
101.02318	4.9
106.06507	100.0
107.06832	4.2
108.08066	3.6
111.00743	1.6
113.02348	1.2
114.71513	0.9
119.03361	1.1
120.08134	0.8
130.06458	1.0
132.04460	1.6
137.05927	0.9
140.31410	0.8
143.03392	1.0
147.02852	1.5
150.05511	76.1
151.05823	3.8
161.04480	0.9
164.07094	7.6
173.00810	1.0
174.05486	1.3
191.01907	3.0
192.06592	5.5
194.04509	47.3
195.04811	2.7
201.47408	1.0
209.03001	1.9
210.08530	0.8
233.85439	1.0
236.05550	4.0
357.10867	2.1
418.93405	1.2
432.15796	1.3
458.12735	1.6
475.66763	1.0
518.15155	27.9
518.26117	1.9
519.15948	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	518.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73053	0.4
57.03317	0.6
59.01257	4.8
61.49508	0.4
65.23932	0.4
71.01247	3.1
71.57644	0.5
71.58595	0.4
72.99190	0.8
73.02820	0.8
83.01284	0.5
85.02830	4.4
86.03122	0.4
89.02324	1.7
90.87942	0.4
93.03320	1.1
96.95892	0.5
100.92434	0.4
101.02316	2.8
106.06505	100.0
107.06174	0.7
107.06814	3.6
108.08089	0.8
111.00785	0.5
113.02301	1.5
118.06506	1.5
119.03394	1.3
122.36765	0.4
125.02335	0.6
147.06505	1.6
148.06914	0.8
150.05508	93.0
151.05898	4.3
161.04489	0.6
164.07074	8.2
165.07361	0.5
179.05496	0.9
191.01866	1.5
192.06587	4.8
194.04512	26.2
195.04829	1.5
209.02997	0.8
221.06628	0.5
236.05597	1.6
241.27713	0.5
299.46823	0.5
356.13239	0.7
412.74881	0.4
458.13126	1.1
459.36938	0.5
491.22748	0.4
518.15045	16.3
518.26337	0.7
519.15314	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	5.4
71.01260	3.5
71.58031	0.4
71.58489	0.6
75.27285	0.4
78.95773	1.3
79.11543	0.3
85.02831	0.8
87.00774	0.4
88.22574	0.4
89.02310	3.1
101.02320	3.6
113.02330	1.6
116.71990	0.3
116.92451	0.3
119.03407	0.7
152.99483	2.0
154.42700	0.4
161.04427	1.4
190.69958	0.3
208.87152	0.3
221.97627	0.4
235.08200	0.9
253.09265	12.8
254.09619	0.8
281.24857	100.0
282.25211	8.2
508.91876	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01041	0.2
55.01752	0.4
58.00438	0.2
58.83273	0.2
59.01252	4.4
71.01252	3.9
71.57578	0.2
72.99157	0.2
73.02820	0.8
78.95770	1.5
83.01251	0.4
85.02819	0.9
87.00765	0.5
89.02321	3.3
91.03889	0.2
95.01322	0.3
99.00743	0.4
101.02325	4.0
113.02335	2.0
119.03355	0.9
125.02353	0.2
133.04951	0.2
143.03386	0.4
152.99478	2.9
159.33907	0.2
161.04489	1.2
179.05554	0.4
213.17146	0.2
235.08160	1.0
253.09261	12.8
254.09550	0.5
281.24847	100.0
282.25183	8.4
435.25113	0.6
438.97839	0.2
443.31622	0.2
491.41403	0.2
493.14084	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3172
Annotation	Bartogenic acid
Peak:m/z	Relative Intensity
57.03318	2.1
59.01257	10.0
59.14345	1.0
68.02440	1.4
69.03331	1.4
71.01247	2.6
71.57719	1.3
73.02825	2.4
78.95779	1.6
84.24947	0.9
85.02815	2.6
87.00756	71.4
88.01084	1.3
96.95924	1.1
97.35583	1.1
126.99417	1.1
152.99504	1.3
171.10236	2.7
194.95656	1.0
217.00224	1.1
223.13516	1.1
242.08319	1.0
293.21185	2.2
313.03381	1.2
415.28464	2.5
427.27914	1.2
429.30469	1.9
443.27951	36.4
444.28415	6.9
445.29590	32.4
446.29886	5.6
455.31473	5.4
457.27335	1.2
462.39630	1.1
473.32724	100.0
474.33087	15.8
479.00839	1.1
499.30563	10.2
500.31213	1.1
517.31677	46.2
518.32056	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	517.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.7
58.00448	1.2
59.01252	28.3
69.00790	0.9
70.02230	2.4
70.02625	1.2
71.01251	10.0
72.99184	10.7
75.00749	23.7
80.26218	0.7
80.32777	0.6
83.04910	1.3
85.02819	10.6
87.00756	13.7
91.52280	0.7
96.95887	3.0
98.19774	1.1
101.02266	1.7
102.08880	0.8
106.06527	3.0
111.00743	0.9
112.98682	3.6
115.00254	62.5
115.03854	1.3
116.00607	1.3
122.43434	0.8
123.04408	29.0
124.04701	1.0
126.12998	0.8
129.01801	0.7
133.01326	4.4
133.04958	100.0
134.03654	0.8
134.05292	2.5
136.84676	0.8
147.02911	1.1
147.06540	2.6
150.05486	1.6
155.03365	1.0
161.04419	1.9
173.04466	71.0
174.04770	2.1
191.01917	3.9
191.05524	6.3
201.11360	1.5
209.03001	8.1
209.11746	3.2
231.08632	1.6
249.09741	8.3
285.09784	2.1
295.10205	0.9
331.67181	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37642	0.3
57.03309	0.5
58.00471	0.5
59.01249	100.0
60.01588	1.3
61.58937	0.3
68.70056	0.4
69.78097	1.5
69.78506	1.0
71.01251	5.3
72.99168	0.6
73.02822	2.9
73.79546	0.3
75.00745	0.4
83.01276	0.8
85.02809	1.9
89.02328	1.9
91.47781	0.3
95.01321	0.6
97.02843	0.6
98.20517	0.7
99.04403	1.1
101.02315	4.4
101.05965	0.6
113.02319	2.9
119.03391	0.8
121.02776	0.4
125.02361	0.5
153.94385	0.4
161.04506	1.8
165.91435	0.4
166.18265	0.4
197.02762	0.8
207.13844	0.4
223.13403	0.4
225.14984	0.5
253.18132	0.8
295.22610	0.6
300.02719	0.4
313.03720	0.5
337.20193	0.6
397.22348	0.8
415.23361	3.7
416.23615	0.5
517.24017	3.3
517.31183	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62790	3.1
57.03313	5.1
59.01252	35.3
71.01250	22.7
71.57545	6.4
72.99169	3.3
73.02826	7.2
83.01267	6.1
83.04886	5.5
85.02818	49.2
87.00726	3.7
89.02322	9.5
101.02335	23.8
111.00742	10.4
113.02303	9.7
115.00283	4.0
124.01557	7.4
129.01863	7.2
139.00281	4.0
147.02782	5.1
151.00287	8.4
152.01048	54.6
157.01285	3.9
161.04465	6.5
173.00764	6.4
178.99774	18.4
191.01881	18.7
208.00058	48.2
209.00757	11.9
209.02928	12.3
269.10168	6.6
311.11606	4.8
341.11462	3.9
431.15714	29.6
473.16690	8.7
517.11963	100.0
517.19427	7.4
518.12317	11.8
518.26166	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	517.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.2
59.01250	91.6
60.01580	0.8
71.01266	2.6
72.99183	1.0
73.02821	0.6
85.02823	12.3
89.02321	1.4
93.03336	4.8
94.45975	0.6
96.95900	0.6
98.20567	1.1
101.02345	2.2
111.00787	1.7
112.72043	0.6
113.02316	0.8
119.03440	1.0
119.04929	1.0
120.97374	0.5
129.01866	1.1
143.04607	0.8
147.03091	1.1
147.04420	35.1
147.28409	0.6
148.04764	2.1
161.04439	0.7
171.04449	1.2
173.00758	1.1
174.44658	0.6
191.01810	4.1
209.02946	3.9
219.08011	0.8
227.86459	0.5
229.64972	0.6
231.08173	0.7
235.07616	2.3
236.08382	4.5
237.09143	5.6
247.07712	1.4
248.08482	0.9
249.09177	1.3
260.08121	0.7
265.08679	100.0
266.09006	11.0
272.09064	0.6
275.07169	1.9
276.07809	1.5
277.08682	88.1
278.09003	9.1
283.02332	0.7
295.09869	1.4
306.07721	1.5
312.02710	1.1
313.03192	0.8
415.23065	0.9
508.32532	0.6
517.10010	1.0
517.21698	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68456	0.8
59.01249	4.6
61.98686	3.2
71.01254	2.1
71.58070	1.1
76.16572	0.6
78.95778	29.4
89.02322	1.1
96.96840	2.0
101.02306	2.3
112.27214	0.6
113.02334	1.0
141.51875	0.7
152.99495	32.9
171.00543	1.1
176.92574	0.7
182.02132	1.7
238.04828	6.5
253.09338	1.9
254.09518	1.9
255.09680	4.8
256.05826	1.5
256.10037	1.8
277.21722	100.0
278.22061	34.6
279.22391	16.9
280.22617	11.4
431.22031	2.2
516.27295	36.4
517.27399	4.2
535.19922	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62322	0.7
59.01250	1.8
61.98705	4.4
63.35163	0.6
71.01247	0.9
71.57725	1.0
71.58116	0.9
78.95779	14.5
114.42909	0.8
152.99503	16.8
153.71918	0.7
161.98950	0.7
163.93588	0.7
171.00456	0.8
187.98181	0.7
227.53229	0.6
238.04826	1.5
256.05887	2.0
277.21716	100.0
278.22037	7.0
312.92200	0.7
396.82678	0.7
431.21902	2.3
516.20056	0.8
516.27295	16.3
517.27637	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	516.273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	4.3
61.01658	0.7
69.56984	4.0
71.01258	3.0
72.01569	0.7
72.99155	0.6
78.95308	1.2
78.95774	25.0
85.02846	0.9
89.02296	1.3
89.05326	0.5
91.02786	0.7
96.96848	1.7
98.19798	1.1
101.02320	1.9
102.02656	1.0
113.02331	1.8
114.02618	0.6
123.04278	0.6
125.22914	0.5
152.99490	26.3
182.02063	1.0
236.32828	0.7
238.04774	6.8
241.21692	8.6
253.09224	1.1
254.09535	2.3
255.09726	4.3
256.05948	1.7
256.09949	1.4
266.22012	1.3
274.47668	0.6
277.21713	100.0
278.22055	35.5
279.22345	19.2
280.22620	12.9
431.21967	1.1
466.29440	3.9
516.27350	35.7
517.27368	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	516.273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	4.3
61.01658	0.7
69.56984	4.0
71.01258	3.0
72.01569	0.7
72.99155	0.6
78.95308	1.2
78.95774	25.0
85.02846	0.9
89.02296	1.3
89.05326	0.5
91.02786	0.7
96.96848	1.7
98.19798	1.1
101.02320	1.9
102.02656	1.0
113.02331	1.8
114.02618	0.6
123.04278	0.6
125.22914	0.5
152.99490	26.3
182.02063	1.0
236.32828	0.7
238.04774	6.8
241.21692	8.6
253.09224	1.1
254.09535	2.3
255.09726	4.3
256.05948	1.7
256.09949	1.4
266.22012	1.3
274.47668	0.6
277.21713	100.0
278.22055	35.5
279.22345	19.2
280.22620	12.9
431.21967	1.1
466.29440	3.9
516.27350	35.7
517.27368	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	516.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.1
57.03319	1.4
58.00468	2.1
59.01250	100.0
60.01593	1.0
61.98695	0.8
65.51859	0.5
68.02408	7.1
69.58275	3.4
71.01251	49.5
72.01590	0.5
72.99179	3.2
73.02837	2.2
75.00750	1.9
83.01264	1.8
85.02821	9.0
87.00758	3.3
89.02314	58.2
90.02678	0.8
95.01251	2.2
97.02797	0.6
99.00758	1.3
101.02319	25.2
108.66450	0.4
111.00755	0.7
113.02331	18.5
114.02710	0.5
116.92758	0.9
117.92754	0.5
119.03385	21.9
125.02380	0.8
126.99458	19.2
127.99773	0.9
131.03377	2.6
135.04507	0.5
136.36061	0.5
143.03439	5.8
146.52972	0.4
149.04506	1.8
159.02881	0.9
161.04462	9.9
166.09779	4.4
179.05539	11.2
197.02721	1.1
229.14450	0.6
313.03638	1.3
516.28680	1.0
517.09424	0.5
517.24365	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	516.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12345	0.4
55.13438	0.4
57.03324	8.2
58.00451	0.6
59.01249	52.6
60.01581	0.7
61.98704	1.4
68.02409	1.6
71.01253	17.2
71.58421	0.7
72.99186	1.4
73.02831	2.2
74.39782	0.4
75.00775	0.6
78.95804	0.4
83.01244	1.0
84.18571	0.4
85.02831	4.3
87.00747	1.5
89.02316	19.5
93.03350	0.8
95.01263	1.0
99.04395	7.3
100.04716	0.6
101.02320	10.1
111.00834	0.6
113.02328	6.9
119.03390	6.7
119.69056	0.4
125.02336	4.9
125.63912	0.4
126.02707	0.5
126.99455	100.0
127.99806	3.0
131.03369	0.9
143.03395	1.9
149.04431	1.1
161.04433	3.0
166.09770	17.1
167.10175	0.5
171.10228	0.5
179.05496	3.4
197.02728	4.6
203.08162	0.5
210.93060	0.6
211.13432	1.1
218.78717	0.4
229.14423	2.2
230.14850	1.1
337.18506	0.6
355.15897	9.3
420.25461	0.6
441.28455	0.5
470.23148	0.5
516.28918	1.5
517.09656	0.7
517.20288	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	516.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.4
58.00467	2.4
59.01251	100.0
60.01586	2.4
61.98738	0.7
68.02406	3.1
71.01254	45.9
71.26466	1.5
71.26823	0.6
72.99181	3.3
73.02837	3.6
74.03167	0.6
75.00740	1.0
78.95784	0.8
83.01264	1.3
85.02821	8.4
87.00775	2.6
89.02317	56.1
90.02611	0.8
93.03326	0.6
95.01299	2.0
97.06471	0.7
99.00770	0.8
101.02319	22.3
101.06024	0.7
113.02329	18.7
119.03390	21.7
125.02313	0.8
126.99442	6.0
127.00234	0.8
131.03410	2.8
136.71016	0.6
143.03395	5.0
149.04498	1.7
152.99437	1.0
161.04445	7.4
166.09789	0.9
171.10294	1.1
179.05521	12.8
209.11786	0.6
293.21136	1.1
303.14282	0.7
306.33115	0.7
445.39575	0.7
474.27896	1.1
506.49982	0.8
515.28851	2.6
516.28833	4.7
517.24573	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	515.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.4
58.00467	0.2
59.00960	0.3
59.01252	5.0
59.09384	0.1
59.77476	0.2
69.32420	1.2
69.32835	0.4
71.01252	3.7
73.02814	0.6
75.00724	0.3
78.95366	0.2
78.95778	0.9
79.00490	0.1
83.01260	0.4
85.02829	1.0
87.00755	0.6
89.02312	2.9
91.03889	0.2
95.01273	0.4
97.02836	0.2
99.00774	0.2
101.02323	3.8
113.02336	1.6
115.03824	0.2
119.03410	1.0
133.04982	0.3
143.03410	0.4
152.99516	1.9
161.04482	1.2
179.05553	0.3
235.08264	1.0
253.09265	13.2
254.09598	0.4
261.22351	0.3
279.23285	100.0
280.23624	6.4
395.72751	0.2
433.23615	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.2
57.03323	0.2
58.00469	0.3
59.01250	5.9
69.26550	0.2
69.26952	1.1
71.01254	4.7
72.99168	0.3
73.02821	0.9
76.97641	0.1
78.95779	3.2
83.01263	0.5
83.04887	0.1
83.77069	0.1
85.02823	1.2
86.28592	0.1
87.00751	0.5
89.02316	3.4
91.03867	0.2
95.01273	0.4
96.96841	0.3
97.02822	0.3
98.19712	0.2
99.00749	0.2
101.02325	4.1
113.01620	0.2
113.02333	1.8
119.03381	0.8
125.02268	0.2
131.03416	0.2
133.04938	0.3
143.03369	0.4
152.99500	6.0
161.04459	1.6
171.00566	0.3
179.05542	0.4
210.17494	0.1
218.36383	0.1
235.08211	1.0
253.09262	13.5
254.09630	0.5
261.22211	0.3
279.23282	100.0
280.23636	6.7
280.26797	0.2
433.23468	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79877	0.5
55.39111	0.5
59.01254	100.0
60.01603	0.5
69.82178	0.8
69.82480	2.9
71.01261	7.9
73.02825	2.8
83.01273	0.7
85.02843	3.2
86.12067	0.5
89.02328	2.5
89.45940	0.5
93.65264	0.4
95.01278	0.9
98.20564	0.6
99.00773	0.9
101.02326	5.7
102.47574	0.4
113.02334	3.3
119.03415	1.1
121.02885	0.6
122.85878	0.5
125.09617	0.4
143.03499	0.6
146.68611	0.5
147.94981	0.4
158.67947	0.4
161.04457	2.2
162.95488	0.5
171.10242	1.9
209.11824	1.2
216.79648	0.4
238.10735	0.5
279.19724	0.6
393.70673	0.5
395.24634	2.2
413.25443	10.7
414.25919	1.6
455.26587	1.8
473.27332	0.5
515.29791	1.4
516.30371	0.5
543.30292	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01591	0.9
61.97213	0.2
68.02413	0.3
70.18153	0.2
70.44704	0.8
71.01247	3.9
72.99148	0.3
73.02812	1.5
75.00788	0.2
83.01251	0.4
85.02827	1.4
87.00773	0.3
89.02328	0.8
95.01247	0.4
96.95883	0.2
97.02816	0.3
98.20329	0.4
99.00746	0.4
101.02327	3.5
113.02296	1.6
119.03371	0.5
126.96452	0.2
143.03450	0.3
161.04459	2.1
168.48943	0.2
233.18967	0.3
251.20192	1.0
253.09311	0.5
261.18597	0.4
273.76282	0.3
279.19638	5.0
280.20074	0.6
324.64246	0.2
395.24463	0.6
413.25452	4.1
414.26041	0.5
455.26706	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96377	0.4
59.01262	0.7
60.54207	0.5
61.79477	0.4
65.68197	0.4
71.57709	0.7
78.95779	53.9
91.00323	0.4
96.96850	5.5
118.50278	0.4
136.94913	0.7
150.97911	1.4
152.99496	100.0
153.99846	1.2
171.00572	4.3
178.95821	0.6
197.41196	0.4
234.98674	0.6
245.16365	0.4
252.99739	0.9
275.80579	0.4
279.23312	1.9
433.23605	22.2
434.23907	1.7
536.74353	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
69.53587	2.6
71.01252	9.6
77.02443	2.5
78.74612	3.2
78.95782	3.3
79.02700	3.1
85.02837	13.4
89.02290	7.4
100.99581	3.1
101.02309	7.2
102.33530	3.2
113.02355	5.4
119.03363	3.8
146.95825	6.0
161.13277	8.6
170.59424	2.8
182.15877	3.2
187.11238	30.2
190.94768	11.1
205.12325	30.4
209.02908	3.6
229.12297	5.4
229.67809	3.6
235.79013	2.9
249.11226	4.4
255.71024	3.5
277.35709	3.3
282.16467	3.1
309.13559	16.4
434.98438	3.9
510.95352	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	515.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56911	2.2
51.84290	1.9
57.03316	3.2
59.01251	100.0
66.37289	2.0
69.73245	11.3
71.01244	17.4
72.99183	3.6
73.02812	4.0
76.50377	2.3
78.95766	2.2
80.96420	2.6
85.02829	12.1
89.02309	9.4
93.03338	2.0
96.95905	2.1
98.20512	4.3
99.04402	2.4
99.71985	2.2
101.02333	10.1
101.05955	7.9
111.00764	5.6
113.02323	7.8
119.03370	3.6
119.04873	2.1
128.03438	2.8
133.02866	2.9
133.04979	3.1
161.02357	6.5
161.04448	2.6
161.13263	8.2
162.02666	3.4
163.00276	2.3
186.25740	2.3
187.11217	19.9
191.01953	2.7
205.12294	39.5
206.12637	2.5
209.03006	3.5
221.40941	2.9
223.13451	5.4
227.03328	2.6
229.12332	4.1
249.11427	6.6
265.14438	2.6
274.82596	2.3
283.02380	2.6
284.26642	2.6
293.08148	3.1
309.13425	16.7
310.13794	2.9
324.07983	3.5
435.42950	2.3
515.19635	2.1
515.29364	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70056	2.9
59.01246	17.4
59.40601	2.8
64.18761	2.9
70.17359	2.7
71.01248	12.4
71.57633	5.5
72.78934	2.7
73.02814	3.7
78.95776	14.5
84.57076	2.9
85.02827	3.7
87.00757	2.7
89.02281	3.0
93.03339	10.7
96.95876	6.5
96.96856	12.2
97.98727	3.4
101.02367	3.1
107.04926	6.6
113.02304	3.5
119.04924	5.5
121.06512	3.5
134.03619	15.6
135.04413	22.2
136.07857	3.0
149.05978	4.0
152.99501	12.2
165.05495	3.9
177.05492	5.6
199.13484	6.7
210.06836	4.1
211.07553	6.2
223.07410	4.0
224.08562	4.2
225.09126	11.8
236.08542	3.5
237.09068	3.7
253.08694	100.0
265.08679	46.6
283.09784	20.1
293.08075	6.4
295.09555	4.8
322.35345	3.1
329.11743	31.0
330.12225	5.7
341.11832	20.9
359.12912	7.5
371.12848	3.5
394.91571	3.0
419.14890	6.8
431.14944	15.6
449.16129	3.5
515.18713	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	515.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37120	1.0
57.02461	1.0
57.65287	0.9
67.01784	2.0
71.57091	1.4
72.99185	3.5
83.01275	2.7
85.02822	28.2
91.90026	1.1
92.74226	0.9
93.38306	0.9
96.95898	2.2
101.02319	2.3
104.84831	1.1
108.36861	1.0
111.00764	100.0
112.01114	1.5
129.01830	12.6
135.04439	8.6
154.99774	14.1
160.27693	1.0
171.08597	1.0
173.00832	55.0
174.01205	1.3
177.38919	1.0
179.03423	18.3
191.01889	5.3
232.94160	1.0
341.08707	10.6
342.09091	1.8
375.19592	1.0
467.30789	1.1
515.10455	1.3
539.78534	1.0
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
50.43224	0.1
59.01244	1.5
60.01576	0.4
61.01677	0.4
61.98701	100.0
62.98408	0.1
75.28264	0.1
83.04913	0.3
85.02833	0.5
87.80390	0.1
93.50463	0.1
119.44074	0.2
142.75403	0.1
143.96104	0.1
170.59747	0.1
203.79666	0.1
209.02931	0.1
225.16002	0.2
226.57553	0.1
229.51535	0.2
436.32919	0.2
452.33215	0.8
453.33456	1.4
454.33694	3.3
454.39648	0.2
514.32916	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43518	1.1
52.68883	1.0
55.77269	1.0
57.03316	1.0
67.01761	1.4
68.83878	1.1
70.17697	1.0
71.57130	1.4
72.99191	5.7
73.02813	1.8
73.44802	1.1
83.01273	2.3
85.02823	21.5
96.95898	2.7
101.02333	1.4
111.00763	100.0
112.01108	2.3
129.01816	6.6
135.04422	11.2
142.28175	1.0
147.22429	1.3
147.73053	1.1
154.99767	14.2
173.00830	58.8
174.01250	1.8
179.03404	10.2
180.03702	1.6
191.01898	17.5
209.02977	1.2
328.17401	1.3
341.08911	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	514.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58718	0.7
59.01252	22.1
61.98691	1.7
67.38110	0.6
67.38478	0.6
67.95444	0.5
71.01241	1.3
71.57426	1.0
78.95776	17.1
80.96384	1.4
89.02293	0.6
96.95902	1.0
96.96834	1.1
113.02329	0.6
117.93489	0.7
122.98319	0.7
130.29854	0.7
148.04691	0.6
152.99529	3.9
155.77621	0.6
168.04205	3.0
169.15897	3.8
197.15373	1.3
213.15054	0.6
215.16475	100.0
216.16817	4.4
224.06903	6.6
242.07832	1.3
410.84000	0.7
440.24176	65.0
441.24530	5.4
485.16010	0.8
497.15955	2.0
515.21973	3.4
515.28644	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11458	0.3
58.00444	0.3
58.96649	0.3
59.01252	7.3
71.01259	4.8
72.94875	0.3
72.99162	0.4
73.02804	1.2
73.82989	0.3
78.95776	10.7
83.01266	0.5
85.02831	1.0
87.00753	0.7
89.02322	3.4
96.96852	0.7
101.02334	4.4
113.02316	2.0
115.03857	0.4
119.03391	0.9
133.04991	0.3
141.49286	0.3
152.99490	16.3
153.99825	0.4
161.04517	0.8
171.00565	0.8
179.05531	0.5
235.08134	1.2
253.09258	14.0
254.09450	0.7
259.20676	0.8
277.21716	100.0
278.22079	9.0
331.21588	0.3
431.21954	3.3
444.26022	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50946	1.1
58.02847	6.5
59.01247	2.5
61.43854	1.0
61.98707	2.5
65.06534	1.1
71.18118	2.4
73.72037	0.9
74.02342	14.0
75.00762	1.3
78.04113	1.2
78.09180	1.1
78.95786	4.8
81.04440	1.2
82.02868	1.5
85.03981	1.0
86.02334	6.8
86.06022	1.0
86.98974	2.4
87.05516	3.9
90.00086	1.3
96.95898	1.8
96.96855	2.4
97.03966	2.1
99.05526	14.8
101.07070	2.1
102.05509	2.8
107.06023	1.4
109.03917	1.3
109.07613	1.0
112.03913	1.5
121.72915	1.0
123.05505	1.6
125.03458	1.8
126.24419	1.1
127.05041	2.4
128.03430	38.2
130.08597	1.1
131.04501	1.4
135.05507	4.9
141.06613	4.2
143.04526	51.7
144.09935	1.2
145.06042	1.8
146.04500	3.9
152.99422	5.3
153.06618	5.1
160.00661	15.1
166.09735	2.7
167.04509	2.5
167.08192	1.6
177.03320	5.0
179.04582	12.8
181.06053	1.5
185.05571	2.0
185.54167	1.1
191.01823	1.3
197.05824	1.4
199.13351	1.3
210.08839	10.0
242.07733	1.5
254.07774	18.8
272.08868	27.9
288.06583	9.7
306.07654	100.0
307.07962	5.0
352.17502	1.5
373.34113	1.1
394.18021	1.2
514.18793	3.3
515.19012	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	513.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45107	0.2
55.01756	0.5
59.01252	6.3
62.80654	0.3
63.20087	0.3
69.33025	0.5
69.33428	2.4
71.01250	5.1
72.99159	0.3
73.02827	1.0
78.95779	6.7
83.01252	0.5
83.04877	0.3
85.02821	0.9
87.00740	0.5
88.10375	0.3
89.02315	3.4
91.19983	0.2
95.01261	0.5
96.96829	0.4
101.02325	4.2
107.34609	0.2
113.02316	1.4
119.03394	0.9
125.02323	0.3
133.04984	0.4
143.03363	0.5
152.99492	9.0
161.04449	1.7
179.05470	0.4
190.84869	0.3
214.78125	0.3
233.22899	0.3
235.08180	0.9
253.09264	15.9
254.09651	0.7
277.21716	100.0
278.22049	7.7
431.21954	2.6
500.21686	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.3
58.00449	1.6
59.01249	100.0
60.01583	1.4
61.98689	1.1
68.02409	22.3
69.02750	1.4
69.03327	2.1
69.65398	2.3
69.65833	2.3
71.01250	62.9
72.01580	2.0
72.99174	2.7
73.02817	83.4
74.03163	1.6
75.00728	1.8
78.95780	1.8
80.96385	1.3
83.01257	24.3
84.01546	0.9
84.02040	0.8
85.02827	9.9
87.00750	3.0
89.02312	6.9
95.01267	1.4
97.02820	1.7
98.20515	1.3
99.00751	0.7
101.02321	53.8
102.02664	1.0
111.00760	2.1
113.02318	11.2
117.01802	0.7
117.05466	2.6
119.03397	2.8
125.02337	2.8
126.99468	8.0
127.99804	2.2
128.99141	5.3
129.01833	1.1
131.03389	3.5
133.02806	0.8
135.04405	1.6
143.03404	4.2
147.02884	1.1
149.04445	2.7
152.99457	0.8
155.03471	1.4
161.04445	8.7
162.04849	0.7
166.09779	1.9
175.14822	1.5
175.47026	0.7
178.02612	0.8
191.01917	1.8
195.13853	0.8
203.05588	1.3
209.02988	0.9
209.11769	2.0
211.13310	1.0
229.19591	7.4
245.15062	0.8
246.15347	1.3
261.09406	0.8
261.18555	7.6
263.20154	0.9
273.18597	46.5
274.19043	5.0
279.19653	1.7
283.13440	0.8
291.19641	54.6
292.19992	4.0
293.21207	1.5
309.20709	9.6
310.20981	1.3
334.97925	0.9
350.00070	0.9
368.62802	0.7
453.12686	0.8
453.24426	1.2
471.25729	2.1
513.27008	47.4
514.27246	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01107	0.8
58.00452	1.8
59.01250	41.4
60.01582	0.8
61.98693	0.7
70.97830	2.0
71.01255	30.3
72.99191	3.5
73.02824	3.4
79.95609	1.3
80.96381	6.4
83.01263	2.7
84.02023	0.8
85.02813	11.1
86.06089	0.7
87.00768	1.6
89.02312	17.9
89.02819	1.1
94.97961	1.2
95.01274	2.7
96.95911	1.0
99.00790	0.9
101.02317	16.0
101.05988	1.8
101.26797	0.9
107.04892	1.1
111.00762	1.4
113.02326	10.2
119.03416	5.7
135.04413	31.4
136.05063	1.0
138.48520	0.8
156.89021	0.8
161.02354	1.7
164.98584	1.0
175.07556	2.0
179.05696	0.9
189.09274	1.2
204.11478	10.2
205.05153	0.8
209.02969	1.4
211.97031	0.9
216.11404	1.1
219.13872	1.9
225.00604	1.3
256.14734	0.9
269.92072	0.8
274.15744	16.6
275.16055	1.8
289.18033	3.9
292.16797	26.1
292.19958	1.4
293.17255	2.9
307.19189	11.0
308.19553	1.2
333.16922	1.1
445.02676	1.2
454.22079	13.6
455.22528	1.5
457.91003	0.8
469.24454	35.7
470.24792	5.9
495.22263	6.3
496.22626	1.5
513.23529	100.0
514.23743	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	513.234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08456	0.3
51.19902	0.3
59.01245	1.4
61.98713	0.5
69.41983	0.6
69.42374	2.5
71.01257	1.4
73.02827	0.4
74.88577	0.3
75.00738	0.4
80.96382	0.4
85.02815	2.2
87.04405	2.2
94.54312	0.3
96.95876	0.7
98.19812	0.7
101.02327	0.6
107.04895	1.1
111.00775	0.6
113.02338	0.4
123.04356	0.3
131.08525	0.4
134.03601	0.4
135.04411	41.6
136.04816	1.3
137.06032	0.4
144.96164	0.3
147.04407	0.4
149.06000	0.3
158.42662	0.3
160.05243	0.7
161.04501	0.5
175.07576	2.8
176.08165	0.4
177.09064	0.4
189.09105	1.6
191.01953	0.4
204.11504	14.0
205.11858	0.8
209.02962	0.5
209.11783	2.1
215.10736	0.4
216.11569	1.4
219.13829	2.8
227.12840	0.8
231.13875	0.8
234.12575	1.2
235.12857	0.4
256.14719	0.5
274.15701	4.2
275.15924	0.6
276.87796	0.3
289.18076	1.5
292.16797	78.7
293.17126	7.8
307.19131	100.0
308.19495	12.1
351.18173	2.9
513.23651	2.2
514.24060	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82536	4.4
59.01250	18.3
65.07999	4.1
71.01243	16.9
71.57376	5.3
78.95786	30.3
89.02316	14.5
96.95890	23.0
96.96826	28.6
98.02377	5.7
101.02328	9.4
107.04919	21.7
113.02306	7.0
118.17785	4.4
119.03404	10.4
128.21585	4.3
130.64919	5.4
134.03610	17.5
135.04433	100.0
152.99530	11.3
165.05473	35.4
179.05563	13.3
254.41946	4.4
267.10300	35.1
403.62311	5.0
421.78833	5.3
429.15540	10.5
477.17694	69.8
478.18488	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	513.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47454	0.4
54.61023	0.3
59.01247	0.4
66.79548	0.3
69.38703	3.3
76.50475	0.3
78.95777	57.0
83.38721	0.3
96.96843	6.2
98.19846	0.8
101.59869	0.3
101.85502	0.3
112.96485	0.3
122.38422	0.3
134.49217	0.3
136.94891	0.5
150.97896	1.6
152.99492	100.0
153.99828	0.6
156.94086	0.4
163.71310	0.4
171.00581	4.6
178.95985	0.5
234.98586	0.6
252.99683	1.6
277.21683	1.5
431.22037	18.6
432.22250	0.8
453.18826	0.6
474.53314	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	17.9
61.13215	6.3
62.79597	6.8
71.01244	18.2
71.03637	14.5
71.03964	9.1
72.46095	8.1
78.95789	50.7
79.41718	7.2
82.07686	6.6
89.02341	19.8
91.39936	6.9
96.95898	27.9
96.96835	100.0
96.97405	7.7
101.02332	11.7
113.02354	9.2
118.72287	6.6
119.03367	9.8
132.65912	7.6
147.04433	13.8
149.06075	13.6
152.99609	8.3
159.68149	6.9
161.04399	9.0
179.05508	16.9
184.33987	8.0
263.46994	7.3
267.10168	9.3
272.77301	8.2
289.58252	7.2
477.17691	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	512.263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	17.4
60.22071	0.3
61.98700	0.9
65.69408	0.2
71.01254	0.4
71.28658	0.6
78.95776	6.7
79.95613	0.3
80.96389	2.0
86.60999	0.3
96.95879	0.4
96.96861	0.4
103.27158	0.3
103.55026	0.3
149.96445	0.3
152.98428	0.4
152.99471	2.8
167.14362	0.6
168.04187	1.3
183.13818	4.2
195.13838	10.0
196.14194	0.5
211.13330	0.7
213.14906	100.0
214.15250	5.3
224.06900	0.7
228.07933	0.3
242.07973	2.4
310.73419	0.3
316.41119	0.3
326.35251	0.3
438.22607	36.4
439.23013	3.2
512.25012	0.4
513.19995	3.2
531.22168	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	29.8
61.98705	1.3
71.01242	1.5
74.29636	0.6
74.72218	0.5
78.95782	20.7
80.20761	0.6
80.96392	3.5
83.04887	0.8
94.97965	0.8
96.96842	1.6
98.20560	1.5
122.98412	1.1
152.99486	7.1
157.88333	0.5
168.04239	3.8
183.13815	8.9
184.03142	0.5
195.13844	15.1
196.14159	0.8
211.13303	0.8
213.14906	100.0
214.15285	4.9
224.06921	8.6
225.00668	1.0
229.59068	0.7
242.07912	2.2
310.61560	0.6
333.61914	0.7
425.95557	0.7
438.22595	74.6
439.22891	6.6
452.31064	3.9
513.12543	0.8
513.19843	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	511.304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69976	0.3
56.01605	0.3
60.39837	0.3
62.04930	0.3
66.29185	0.3
69.64147	0.4
69.93212	1.5
78.95771	16.8
85.65337	0.4
93.09973	0.4
96.96845	1.1
98.19862	0.4
101.66988	0.3
139.26166	0.3
152.99486	30.5
153.99811	0.9
171.00555	1.3
227.03201	5.6
245.04271	1.3
283.26410	100.0
284.26776	9.0
419.25687	0.8
511.30371	61.2
512.30701	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57433	0.6
51.76435	0.5
52.83023	0.5
55.01759	0.6
59.01252	100.0
60.01580	0.6
64.94501	0.6
70.19153	0.5
70.23586	2.3
71.01263	3.6
73.02827	1.0
78.95786	2.0
85.02844	1.6
89.02304	0.7
99.00809	1.0
101.02344	2.1
113.02341	1.6
119.33791	0.6
143.03323	0.6
152.99553	0.8
161.04515	3.1
223.72307	0.6
228.62129	0.6
274.24121	0.5
286.43716	0.5
349.11670	0.6
524.76276	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02855	8.1
59.01246	3.5
66.84703	1.5
71.01254	2.4
71.57406	2.3
74.02343	15.2
81.04448	2.2
82.02832	1.3
83.17885	1.2
85.02817	6.0
86.02346	4.4
87.05488	2.4
96.95908	2.7
97.03967	2.1
99.05515	11.7
101.07101	2.5
102.05466	2.3
109.03978	2.3
109.07604	1.4
111.00769	2.0
125.03487	2.6
127.05003	3.6
128.03430	36.4
133.06833	6.7
135.05530	5.4
141.06583	2.8
143.04523	52.0
145.05994	2.6
146.04488	7.2
153.06627	4.4
166.09883	2.3
167.04503	2.6
167.08197	4.1
179.04530	13.2
181.06183	1.8
184.10854	2.3
185.05698	2.7
191.01837	1.7
197.05542	2.7
210.08768	12.4
228.09755	1.6
233.64534	1.5
249.00023	1.2
252.84409	1.3
254.07816	24.3
262.54422	1.2
272.08899	37.0
277.12265	3.1
293.22110	1.6
295.10510	1.8
360.12067	3.3
360.67737	1.3
378.13043	3.1
388.15659	10.6
406.16498	100.0
407.16663	10.6
446.23340	1.3
505.09390	1.5
512.20636	11.8
513.20575	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	511.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72400	0.4
59.01250	2.8
61.98711	0.8
68.02417	0.6
71.01253	0.7
71.57360	0.5
72.99177	0.3
73.02831	0.4
78.95775	5.0
87.00756	1.6
93.03331	0.5
95.94881	0.4
96.95875	0.4
96.96823	0.5
115.88544	0.4
117.03337	1.3
117.11785	0.3
119.04918	86.5
120.05254	2.4
126.99426	1.0
128.99146	1.2
145.02864	8.1
151.03905	0.7
152.99477	3.5
163.03920	100.0
164.04243	3.4
171.10190	0.6
183.13847	0.6
195.13818	0.8
211.13351	1.6
212.13664	1.2
213.14905	6.1
224.06819	0.7
290.15204	2.4
305.17520	2.0
325.09265	3.4
327.97400	0.4
343.21432	0.7
349.16608	3.7
381.17218	0.4
437.21249	0.7
438.22638	5.2
450.20410	0.5
511.22495	2.1
515.76147	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.9
61.98709	2.7
63.12028	0.4
71.01249	1.2
71.46048	0.4
71.57028	1.0
73.02824	0.6
78.61945	0.4
78.95789	4.8
85.02834	0.6
96.95928	0.7
96.96823	1.0
101.02318	1.4
103.13385	0.4
113.02325	0.7
117.03371	3.6
119.04918	59.7
120.05265	1.9
145.02855	9.6
152.99527	3.3
163.03920	100.0
164.04248	4.3
193.75764	0.5
211.13475	0.5
259.13165	0.5
343.21289	2.0
347.17178	0.8
365.18240	6.1
366.18524	0.6
403.72464	0.5
511.23425	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	1.3
61.98715	2.9
67.31561	0.4
71.01250	1.1
71.58328	0.5
73.02831	0.5
78.95782	3.4
93.03342	0.5
96.95898	0.7
96.96861	0.6
101.02313	1.1
113.02338	0.8
117.03338	3.2
119.04922	54.2
120.05234	1.2
121.02850	0.5
135.04468	1.0
137.02266	0.5
145.02870	8.8
152.99449	2.9
163.03925	100.0
164.04280	4.0
211.13460	0.6
213.14973	0.9
225.14848	0.6
228.92503	0.5
261.87683	0.5
284.42548	0.5
332.20694	0.5
347.17148	1.6
365.18103	7.0
451.32587	0.6
511.21616	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05161	1.9
51.76250	1.7
53.17791	1.2
56.56444	1.3
57.03318	8.3
59.01256	12.0
60.09020	1.4
64.82388	1.3
71.01265	1.8
71.05765	3.5
78.95778	27.8
85.02838	1.9
87.74031	1.4
91.73428	1.4
93.03335	5.3
96.95900	2.0
96.96851	3.7
99.04391	9.5
100.42431	1.7
101.02336	3.6
106.04114	4.2
107.04911	7.5
108.02106	1.9
117.03355	2.3
119.04912	3.4
121.02834	2.7
123.04410	3.5
125.02351	3.0
134.03633	100.0
135.04460	26.5
137.02382	2.5
143.04477	1.6
147.04445	4.4
149.05914	1.9
151.03886	1.6
152.99509	30.2
164.04701	1.9
165.05467	4.8
171.00412	2.0
195.08008	2.6
196.08783	1.7
197.06038	4.0
197.09563	2.2
209.05945	2.8
210.06812	59.0
211.07582	31.7
225.05614	1.5
225.09167	13.8
241.08659	4.9
247.09698	1.7
253.08685	65.4
254.09073	3.4
267.10202	2.1
283.09717	10.5
285.07651	2.4
301.12344	2.2
329.11816	72.1
330.12140	6.0
343.21170	3.1
359.12961	13.4
360.13284	2.1
371.12646	1.9
371.73517	1.6
419.14999	11.3
449.16547	1.6
479.17010	1.9
511.23026	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	511.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.9
59.01252	2.0
65.00175	0.2
69.39582	0.2
71.01246	1.1
71.57613	0.5
74.02316	0.5
78.95770	0.7
79.95609	2.9
83.01258	0.3
85.02818	4.3
89.02322	0.3
96.36201	0.3
96.95889	100.0
99.04403	1.4
99.05527	0.5
101.02320	0.8
113.92526	0.5
114.93311	2.6
121.02776	0.3
125.02348	0.9
129.01819	0.6
143.04501	1.4
144.54041	0.3
147.02919	0.6
165.01837	0.3
170.99554	0.3
177.03337	2.5
191.01941	1.3
194.70638	0.3
224.96935	0.3
277.04364	0.2
283.07623	1.4
307.03519	0.4
311.11249	0.4
335.04349	0.4
367.07123	1.2
413.14490	0.9
427.09378	0.5
511.07483	0.4
511.23312	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63346	0.3
55.27101	0.3
58.61372	0.3
59.01251	100.0
60.01592	0.8
70.87215	0.7
70.87595	0.5
71.01258	5.8
73.02812	1.9
78.95782	0.6
83.01241	0.7
85.02817	2.1
89.02302	1.8
90.00055	0.3
99.00755	0.6
101.02317	3.0
113.02331	3.1
119.03416	1.0
143.03392	0.4
143.27438	0.4
152.99551	0.6
161.04468	1.7
186.42203	0.3
218.52380	0.3
362.69275	0.3
433.62912	0.4
467.30112	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81454	0.2
58.00478	0.3
59.01254	100.0
60.01601	0.5
69.50529	1.1
69.50957	1.0
71.01257	5.0
72.99201	0.4
73.02822	1.4
78.95795	1.0
83.01268	0.5
83.99409	0.3
85.02827	1.9
87.00744	0.4
89.02328	3.1
90.72872	0.3
94.87171	0.3
95.01260	0.6
99.00771	0.5
101.02321	2.6
105.58455	0.3
106.07902	0.3
110.25677	0.2
111.09624	0.2
113.02348	3.4
119.03400	1.0
132.51025	0.3
143.03415	0.4
152.99532	1.1
161.04535	0.8
168.21031	0.2
172.29054	0.3
228.09950	0.3
449.29306	0.5
467.30481	1.2
509.33319	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55426	0.5
55.75698	0.5
62.96307	0.6
70.67069	0.7
70.67408	1.4
78.95777	45.1
87.75655	0.5
96.96868	1.1
98.19916	0.6
101.15285	0.5
131.72868	0.5
150.97928	0.6
152.99490	16.4
161.21396	0.5
168.04195	3.7
169.04555	0.6
169.90924	0.5
180.89908	2.6
191.36981	0.5
196.89415	28.8
197.89450	0.8
224.06898	8.9
225.07304	3.2
227.03313	2.8
242.07928	1.8
243.08350	0.7
245.04193	1.1
281.24857	47.7
282.25259	3.7
283.26419	60.1
284.26761	100.0
285.27054	3.0
351.72232	0.6
357.21609	0.7
508.33987	3.0
509.16367	2.3
509.28546	19.8
509.34579	25.5
510.29022	1.7
510.34833	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2027
Annotation	Lactoside B
Peak:m/z	Relative Intensity
54.52468	1.3
59.01240	5.2
60.19289	1.4
61.98697	1.8
69.74004	8.5
78.95775	3.3
86.49084	1.9
96.96823	1.8
97.26864	1.4
99.04408	8.0
107.04938	1.7
113.02298	2.1
117.98527	1.5
130.06784	1.6
131.08539	1.5
135.04419	58.1
136.05086	2.0
147.04405	2.0
174.06778	6.0
175.07425	4.4
176.08347	11.0
189.09109	5.3
235.30565	1.6
244.14673	100.0
245.14970	5.6
259.17035	15.9
303.16010	78.1
304.16437	7.0
345.16974	4.8
347.14993	4.2
415.15604	3.1
417.35870	1.6
452.16864	1.8
465.21158	17.7
466.21893	1.7
534.43945	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2027
Annotation	3-[4-[1-(4-Hydroxy-3-methoxyphenyl)-1,3-dihydroxyisopropoxy]-2-hydroxyphenyl]propyl alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
53.21654	0.4
57.03313	2.3
59.01252	23.1
59.22620	0.4
71.01249	4.7
73.02821	3.4
75.00753	2.4
75.97440	0.4
77.03806	0.4
78.95744	0.5
80.96409	0.7
83.01256	2.2
83.04887	0.8
85.02816	3.3
87.00765	1.7
89.02330	0.7
95.04902	4.7
97.02799	0.9
98.19830	1.1
99.04395	1.0
101.02314	2.8
105.03342	1.0
109.06481	0.8
111.00784	1.2
113.02324	1.3
119.08560	1.2
121.02884	0.5
121.06458	0.7
123.04409	100.0
124.04745	2.8
125.02344	0.6
125.05952	0.8
129.01753	0.5
135.08035	2.0
135.11725	0.6
137.08653	0.6
137.09615	4.6
141.05490	0.6
149.02353	1.3
153.09045	0.5
161.04454	0.8
161.09622	3.1
161.39044	0.4
163.07564	5.8
177.09193	0.6
179.10683	3.5
181.08604	6.3
191.01866	0.8
197.11758	3.2
203.10736	1.1
205.08556	0.7
223.09694	6.7
241.10721	3.1
247.09818	0.8
265.10779	1.4
281.06641	0.6
283.11859	0.7
307.12030	0.5
325.12836	1.8
329.23233	1.1
385.15088	1.8
491.19003	2.3
509.20300	59.0
509.28806	2.4
510.20612	8.3
525.84943	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05388	0.2
59.01253	1.1
59.98376	0.2
62.57895	0.2
69.33888	1.3
71.01245	1.2
73.35869	0.2
78.95789	0.8
79.05426	0.2
84.09509	0.1
85.02837	0.8
87.53851	0.1
89.02326	0.3
93.03374	0.3
95.01267	0.2
97.02827	0.2
99.04398	7.2
101.02350	0.4
107.04926	1.4
113.02333	1.6
113.05978	0.3
119.03435	0.2
121.02827	0.2
121.06489	1.5
122.03677	0.3
123.04385	0.5
128.99181	0.2
131.08578	1.2
134.03641	1.8
135.04416	58.5
135.07903	1.0
136.05257	2.4
137.05962	0.2
141.05553	0.2
147.04408	0.6
148.05193	0.4
149.05978	0.7
152.99490	0.4
157.06548	0.3
159.04453	0.4
160.05202	1.9
160.11864	0.2
161.04477	0.3
161.05939	0.6
162.06708	0.2
171.00385	0.2
171.08037	0.2
172.05228	0.2
173.06009	0.4
174.06778	6.6
175.07559	6.7
175.27272	0.2
176.08354	13.5
177.08733	0.3
182.68513	0.2
185.15416	0.2
188.08374	1.2
189.09142	6.2
190.09506	0.2
191.10753	1.0
203.10687	0.3
212.08269	0.2
213.09091	0.3
214.09930	0.3
229.12292	0.5
244.14651	100.0
245.14999	6.7
245.17580	0.2
259.17023	15.2
260.17456	1.2
270.12567	1.8
285.14944	1.4
286.15631	0.4
288.13657	1.8
299.12772	0.4
302.15372	0.2
303.16003	73.8
304.16339	5.6
304.19882	0.3
315.16159	0.2
317.17560	0.4
327.15997	0.2
328.68515	0.2
329.13995	1.7
330.14465	0.4
345.17038	5.8
346.17429	0.6
347.14996	5.2
348.15402	0.3
353.25406	0.2
393.83804	0.2
447.18054	2.0
448.18222	0.3
465.21271	16.4
466.21674	2.0
509.20425	3.2
509.27432	0.3
510.20163	0.3
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
54.50479	0.9
57.03323	35.9
57.52147	0.9
59.01250	22.6
70.85664	2.5
71.01253	4.1
75.49290	0.9
75.49937	0.9
76.63105	0.8
82.02857	2.4
85.02827	2.3
89.02328	2.6
96.95855	1.3
99.04393	22.6
101.02330	9.2
105.91763	0.9
125.02341	5.7
125.03120	0.8
145.07613	59.1
146.08012	3.0
161.04471	12.4
165.01898	1.5
170.07167	2.6
188.08214	43.4
189.08598	2.2
214.09789	33.9
215.10143	1.9
226.09717	2.2
228.11389	1.5
244.10890	3.7
256.10886	18.1
257.11374	1.3
268.10831	2.3
279.13562	1.1
296.75317	0.8
304.13031	33.5
305.13510	1.6
306.04465	1.2
313.98859	4.2
322.14066	100.0
323.14417	7.7
329.01233	7.6
330.01657	1.3
364.15106	2.2
365.14603	5.2
393.96768	1.1
417.89954	1.1
466.18457	3.8
509.07666	7.4
509.28259	1.5
510.07733	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	509.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33308	2.3
57.03328	89.5
59.01254	100.0
63.89621	2.7
69.78359	7.0
69.78787	9.3
71.01250	18.6
72.99216	4.2
73.02812	9.1
75.00748	5.4
78.95774	19.2
83.01234	4.2
83.04902	2.8
85.02825	4.3
89.02317	12.0
96.96843	5.1
98.19873	4.1
98.37122	2.6
99.04395	96.9
101.02328	36.0
113.02334	6.4
119.03407	14.3
119.04924	9.4
121.02798	4.0
123.04411	4.0
125.02341	44.8
128.03438	2.5
135.04414	4.2
147.04462	35.1
152.99500	14.5
168.13365	2.3
171.10202	3.6
173.06029	2.6
197.05952	3.3
199.07603	3.7
209.11800	6.3
217.85687	2.4
245.08102	12.2
249.09283	5.9
258.32300	2.6
269.08078	5.4
283.22809	3.1
287.09155	4.1
293.08133	14.7
294.08316	4.1
313.10724	3.6
329.23248	12.2
355.13013	2.4
399.12677	5.3
452.90988	2.9
454.01785	2.9
463.86871	2.9
509.17050	4.5
509.29544	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	509.13
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79049	1.0
55.01748	2.5
57.03320	12.2
59.01248	12.9
69.48647	2.1
69.49065	6.0
71.01263	11.5
72.99184	2.8
75.00740	3.6
78.95737	1.0
83.01269	3.0
84.02035	3.1
85.02821	100.0
86.03158	2.2
87.00774	1.4
89.02317	6.5
93.03326	4.3
96.95851	2.5
101.02319	2.8
103.00240	2.1
109.02819	2.4
111.00755	7.0
113.02314	1.7
115.00197	1.4
116.92773	1.3
119.03356	1.3
121.02776	1.2
122.03648	2.4
129.01833	21.2
133.01352	2.2
135.04388	1.2
145.09721	1.0
147.02882	18.9
147.04369	4.1
161.02327	1.2
161.04549	1.5
165.05481	3.2
173.00832	3.3
187.64697	1.0
191.01891	40.1
191.03612	2.2
192.02266	1.3
209.02966	62.1
210.03339	2.0
217.98004	1.1
238.03510	1.1
241.08635	9.7
260.23218	1.1
269.08231	1.0
285.07648	4.5
306.07654	1.5
347.14990	17.0
348.15460	1.2
353.10242	1.8
477.10309	5.5
509.20648	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	509.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59219	0.8
55.01748	2.9
57.03321	11.8
58.00461	1.0
59.01249	14.2
65.86311	0.6
68.99686	1.3
70.91425	1.6
71.01252	10.3
72.91598	0.6
72.99186	2.3
73.02816	1.2
74.35963	0.6
75.00757	3.1
81.50831	0.7
83.01265	2.5
84.02030	2.2
85.02822	100.0
86.03139	1.7
87.00746	2.2
89.02309	6.8
93.02322	0.6
93.03345	3.7
96.95931	1.2
98.20520	0.9
101.02322	6.1
103.00221	1.0
107.04913	6.3
109.02853	1.2
111.00751	3.4
113.02312	2.9
115.00234	0.7
119.03397	2.3
119.04903	1.4
121.02844	0.9
125.50845	0.7
125.60303	0.8
129.01837	18.5
133.01299	1.2
134.03629	2.9
135.04427	19.0
136.01564	2.9
136.04796	1.2
143.03424	0.7
143.04514	0.9
147.02905	21.4
147.04300	1.3
151.03900	2.7
161.02330	1.0
161.04427	1.3
165.05482	5.3
173.00861	3.1
179.05623	1.5
191.01884	21.6
192.02161	1.1
209.02969	37.4
210.03267	1.4
241.08684	14.1
242.09018	0.7
269.08307	1.3
285.07739	3.3
286.07968	0.8
299.12836	2.5
343.13828	0.8
347.12546	1.0
353.10580	0.8
449.23999	3.9
461.18182	13.5
477.10178	5.3
486.05341	0.7
509.20929	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.5
56.36345	0.5
57.03043	0.6
57.03325	12.2
59.01245	8.9
66.26269	0.5
68.42355	0.5
68.99692	1.3
69.71465	2.8
71.01255	6.5
72.99174	2.5
73.02819	0.9
75.00757	2.7
83.01253	3.0
83.49979	0.5
84.02052	2.6
85.02822	100.0
86.03156	1.5
87.00751	3.0
89.02328	1.5
93.03336	3.6
96.95892	9.8
98.19876	0.8
99.00761	0.9
101.02311	1.5
103.00246	1.2
109.02834	1.7
111.00756	5.7
115.00275	1.3
119.04871	0.9
125.03430	0.7
129.01833	23.2
133.01352	2.1
133.02817	0.7
134.08893	0.6
135.04359	0.8
147.02901	19.2
149.02084	0.5
154.99751	0.6
157.19875	0.5
161.02306	1.3
165.01888	0.6
173.00827	3.8
191.01901	40.7
192.02240	1.5
209.02968	53.5
210.03297	1.9
241.08681	10.1
242.09029	1.4
285.07672	3.8
286.07938	0.6
306.07721	0.9
347.14972	0.7
353.10284	1.5
415.10394	1.4
459.09378	1.7
477.10522	4.9
509.21997	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.341
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96273	0.1
69.35432	0.3
69.35847	0.6
78.95777	20.4
82.43279	0.1
82.94823	0.1
96.95905	0.2
96.96828	0.3
98.20569	0.2
102.40057	0.1
122.98423	0.2
134.98415	0.2
152.99489	3.6
168.04228	3.1
171.00482	0.1
194.05775	0.1
196.89462	1.2
197.95464	0.1
212.25366	0.1
224.06895	9.1
225.07224	0.3
227.03163	0.2
242.07944	2.0
255.23209	0.2
265.25403	0.3
281.24863	3.9
283.26416	100.0
284.26755	8.1
375.59595	0.1
419.25839	0.2
508.34067	22.0
509.28485	1.2
509.34503	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	508.268
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.2
59.01259	1.6
70.64674	4.9
70.91355	1.2
78.95780	41.2
99.08014	3.1
104.79880	1.2
113.09591	4.7
120.72849	1.3
125.09592	1.9
129.09113	5.2
139.11183	2.8
140.01079	14.9
152.99442	8.4
164.42731	1.2
169.12323	2.9
170.46475	1.7
171.10225	10.0
181.12254	3.1
183.13785	3.7
193.12215	3.1
196.03711	19.8
197.11786	9.6
199.13338	5.9
211.13358	17.3
214.04803	4.7
218.09970	1.5
293.21207	17.0
311.22284	100.0
312.22641	5.0
323.63562	1.3
329.55170	1.2
449.06897	1.7
467.28107	1.5
479.11899	1.3
508.26791	88.2
509.26804	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	508.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.7
59.93753	1.1
71.35315	1.7
78.95782	43.0
81.32428	1.0
99.08024	2.1
111.08112	1.4
113.09595	2.0
114.11102	1.2
122.00059	1.5
129.09119	5.7
140.01085	14.6
152.99455	4.8
169.12256	3.7
171.10173	3.6
181.12274	5.3
181.82906	1.2
183.13875	2.8
193.12296	2.5
196.03754	22.3
197.11786	13.0
198.12059	1.8
199.13324	8.2
211.11461	1.8
211.13339	20.4
214.04848	6.2
275.20047	2.5
293.21240	13.9
294.21844	1.4
311.22278	100.0
312.22638	8.3
508.26794	85.3
509.26947	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	508.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26844	1.3
54.68603	1.5
54.85925	1.4
55.81824	1.3
59.01249	25.2
59.03519	1.4
61.56974	1.4
61.72436	1.2
69.40120	10.9
78.95777	100.0
96.96839	6.8
98.19858	3.4
99.08044	1.8
113.09567	3.2
129.09134	1.7
140.01097	6.1
152.99522	19.5
169.12331	2.5
171.00562	16.4
181.12285	2.8
196.03725	3.8
197.11751	9.4
199.13344	3.2
211.13319	10.8
214.04810	4.0
239.97932	1.4
244.32780	1.5
293.21259	11.9
309.20679	1.7
310.21097	1.8
311.22272	73.0
312.22635	5.2
355.74832	1.6
500.73007	1.9
508.26767	71.3
508.33743	9.2
509.27078	9.6
509.34024	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	508.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77985	0.7
54.14856	0.6
57.03317	6.8
59.01245	4.7
61.98688	1.8
68.75390	0.6
70.00462	3.1
71.01266	5.4
72.99180	1.4
75.00757	2.6
83.01249	1.4
84.02035	1.1
85.02820	62.5
86.03139	1.0
87.00732	1.8
89.02314	2.2
94.24217	0.8
96.64646	0.7
101.02371	1.0
103.00229	1.0
111.00770	3.2
118.72073	0.7
129.01822	4.9
129.32700	0.7
133.01329	4.2
135.04408	1.6
147.02945	3.9
165.03932	1.6
167.03409	1.2
173.00870	1.8
179.03471	1.0
191.01894	28.7
192.02222	1.1
209.02963	100.0
210.03297	3.5
274.21939	0.8
352.61139	0.8
371.06070	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	508.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.0
59.01247	1.8
59.39845	0.9
69.62316	5.2
69.78817	0.8
78.95777	100.0
79.20767	0.7
80.91134	1.0
83.04893	1.1
96.96848	7.6
97.02813	1.1
113.09588	3.8
121.02797	1.4
121.10144	1.1
124.00765	0.8
125.09590	1.4
139.11179	11.6
140.01131	5.5
144.96532	0.8
152.99489	18.4
157.07924	0.8
168.57036	0.8
171.00560	14.1
171.10176	18.0
185.11697	2.2
193.12209	3.6
195.01146	0.8
195.13766	1.1
196.03708	4.0
197.11754	0.9
211.13379	4.9
214.04796	3.5
221.34065	0.9
228.19394	0.9
244.34172	0.8
293.21191	13.4
294.21381	1.9
309.20627	1.3
310.21039	1.8
311.22250	62.0
312.22571	4.7
331.26126	0.8
398.02295	0.9
508.26773	85.0
509.27145	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	507.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74644	0.4
53.34179	0.4
59.01246	0.6
62.22698	0.4
67.79672	0.4
70.06850	1.2
70.07241	0.8
75.69569	0.4
78.95772	20.1
79.56014	0.5
92.02660	0.4
96.96848	1.9
98.19871	0.5
152.99487	32.8
153.99850	0.6
171.00543	1.6
221.83578	0.4
227.03241	4.7
245.04218	1.2
279.23276	100.0
280.23633	9.4
337.69476	0.4
339.95859	0.5
415.22559	1.0
424.74921	0.4
507.27240	55.4
508.27625	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	507.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	0.7
73.12225	0.5
74.90674	0.5
78.95778	21.0
96.96844	1.9
98.20580	0.9
104.39381	0.4
152.99492	32.5
171.00558	1.4
171.90445	0.4
227.03224	4.8
245.04347	1.0
261.22076	0.6
279.23282	100.0
280.23639	10.4
325.18365	0.6
415.22348	0.9
483.13333	0.5
507.27267	50.3
508.27667	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	5.0
57.03328	5.0
58.00477	1.0
58.38792	0.6
59.01250	88.4
60.01582	0.8
61.98697	0.8
69.03332	1.9
71.01251	60.6
71.21709	1.0
72.01587	1.2
72.99185	2.1
73.02817	18.5
74.71785	0.7
75.00761	2.3
78.95779	13.4
83.01258	10.1
85.02819	28.2
87.00731	3.4
89.02322	11.6
91.49902	0.7
95.01263	4.7
96.95908	1.1
96.96857	1.0
97.02846	2.3
99.00754	8.0
101.02320	45.4
102.02634	1.6
107.01291	2.0
111.00754	4.2
113.02330	24.0
119.03389	5.7
125.02375	1.2
126.99438	4.6
129.01830	2.9
131.03423	0.9
136.07603	1.1
141.98169	20.2
142.59474	0.6
142.98955	65.0
143.03355	3.0
143.96736	1.3
143.97881	23.9
143.99245	2.1
144.98204	1.1
149.04388	0.8
152.99481	2.0
159.02893	6.6
160.96899	0.8
161.04465	22.7
162.04758	0.8
171.00537	2.0
171.13860	1.3
184.68365	0.6
205.08644	2.0
241.06381	0.9
242.06590	0.9
243.06087	9.6
243.07974	99.6
244.06226	0.9
244.08327	9.1
283.10986	0.7
299.25888	2.1
345.30084	18.4
346.30646	1.5
372.44119	0.6
419.88474	0.6
458.65778	0.8
472.02225	0.7
507.26404	4.8
507.35339	100.0
508.26895	1.5
508.35617	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	507.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59430	0.4
53.76098	0.4
59.01242	0.9
65.06439	0.4
69.92178	2.0
78.95774	17.3
96.96837	1.8
148.29836	0.4
152.99489	26.0
171.00502	1.9
171.03389	0.4
171.70595	0.5
227.03223	4.3
245.04280	1.3
279.23276	100.0
280.23621	11.1
280.26706	0.5
359.00690	0.4
507.27234	45.3
508.27576	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40614	1.0
53.77687	1.1
54.35696	1.0
55.01759	1.8
57.03313	3.8
58.00455	2.4
59.01249	64.2
61.98705	3.1
66.57001	1.2
68.02406	2.6
71.01250	56.9
71.58160	1.2
72.01607	1.6
72.99179	4.7
73.02821	11.0
75.00749	4.5
78.95767	5.3
83.01260	5.0
85.02831	25.0
86.03159	1.4
87.00764	2.9
89.02319	30.8
93.03341	4.2
95.01276	1.5
96.95903	1.6
97.02817	2.4
99.00739	4.6
100.00162	1.4
101.02318	28.9
111.00770	5.8
113.02338	13.4
113.92756	1.2
115.00289	1.5
119.03391	3.3
122.05990	1.4
123.50278	1.3
125.02336	3.5
126.99462	1.6
131.03398	17.6
133.04965	2.2
135.04425	6.7
137.02348	1.9
143.03419	2.5
143.04532	1.8
149.04419	11.0
156.36624	1.1
159.02988	2.3
161.04454	14.0
171.36389	1.3
173.00819	1.5
191.01825	1.8
191.05528	3.9
205.03342	1.6
209.02954	1.2
211.13362	6.0
233.06540	2.3
242.13063	5.2
257.15570	1.6
293.08829	3.4
301.14386	3.4
309.08615	1.8
315.18097	14.0
316.18555	1.4
319.15515	4.9
411.20892	1.3
433.18997	1.3
447.22327	100.0
448.22638	11.8
507.19489	1.6
507.28491	2.5
507.35248	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	507.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75857	0.4
59.01263	1.0
65.02504	0.5
68.22594	0.5
70.93349	1.1
78.95776	22.6
85.77384	0.4
96.96846	1.4
152.99486	30.5
153.99776	0.6
166.11427	0.5
171.00560	2.0
189.01685	0.5
227.03159	4.9
245.04286	2.5
279.23276	100.0
280.23615	8.5
415.22491	0.8
507.27231	58.6
508.27591	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.7
57.03309	2.7
58.00454	1.3
59.01254	34.8
60.99165	1.5
70.72309	3.2
71.01254	29.1
72.99181	5.3
73.02828	8.5
75.00724	2.1
75.55022	1.0
78.95774	4.1
81.67513	1.0
83.01251	4.7
85.02826	13.3
87.00745	2.9
88.00263	2.1
88.98685	7.3
89.02316	47.5
92.80395	1.0
93.03326	1.5
95.01274	1.3
95.10716	1.1
96.95892	1.7
97.02796	1.9
99.00763	4.4
101.02327	23.5
111.00752	3.7
113.02337	9.6
125.02328	2.6
131.03410	7.2
143.03304	2.6
149.04437	4.2
152.07037	1.5
159.02769	1.8
161.04475	9.2
171.10262	1.1
173.89012	1.0
191.01884	1.1
191.05626	1.4
196.92398	1.2
209.15364	2.5
211.13353	5.2
219.37730	1.1
233.06464	1.3
315.18158	14.0
331.77197	1.3
437.22742	1.1
447.22290	100.0
448.22696	10.5
466.16727	1.2
491.71304	1.3
507.24234	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	507.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40923	0.2
56.99718	0.2
59.01245	1.1
63.75080	0.2
71.01233	0.4
72.99179	7.2
75.00747	6.2
79.82749	0.3
83.01262	0.3
85.02818	1.2
86.50012	0.2
95.13776	0.3
96.09908	0.2
96.95865	0.4
101.02383	0.3
110.82625	0.3
133.04967	100.0
134.05307	2.8
148.34158	0.3
151.00311	0.7
165.05467	0.3
175.14792	0.3
191.01883	0.4
194.00856	0.5
255.02831	0.6
256.03351	0.3
257.03510	0.4
271.02554	0.9
272.02917	0.8
273.03131	0.9
284.03293	0.4
295.10251	0.4
300.02817	1.5
301.03192	1.9
302.03391	2.6
303.04004	1.3
349.77682	0.3
447.09558	0.4
507.10617	2.4
507.27869	0.5
508.10956	1.1
524.99567	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.0
58.00482	1.1
59.01250	22.4
70.01223	4.1
71.00857	1.2
71.01256	20.7
72.99158	1.5
73.02815	1.2
78.95795	3.1
83.57090	0.9
85.02795	5.0
88.03933	0.9
89.02323	21.8
90.94052	0.9
95.01293	1.5
96.91508	1.1
101.02327	11.9
106.04137	2.7
107.04916	30.4
108.02066	1.9
108.05189	1.1
111.45690	1.1
113.02355	7.8
119.03385	10.3
119.04878	1.9
121.02843	2.5
122.03670	1.1
123.04391	2.4
128.03418	1.3
134.03642	11.7
135.04420	100.0
136.04774	3.2
143.03419	2.2
146.03629	1.6
147.04460	5.1
149.02364	4.3
149.04463	0.9
150.03105	5.0
161.04445	3.6
165.04112	2.4
165.05493	40.3
166.05850	1.7
167.42485	0.9
172.06328	1.1
179.05595	5.4
195.06577	2.5
253.08771	1.5
270.11115	0.9
282.08932	2.6
287.41354	1.1
297.11325	25.4
309.11078	1.0
352.48215	1.1
459.16595	4.5
507.18607	8.1
508.18329	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	507.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63976	16.8
59.01245	73.1
59.92491	18.3
70.07915	100.0
70.32738	21.1
71.01262	27.9
79.56377	18.9
83.33806	17.4
89.02301	46.4
97.60587	17.2
98.19844	20.1
113.02319	22.5
119.03410	20.1
141.14104	18.6
166.46719	18.8
167.50078	21.0
179.05513	85.1
186.64450	19.8
296.98441	21.8
428.91058	24.4
475.40762	22.4
477.54285	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	507.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91915	0.3
55.01756	2.3
57.03327	3.2
58.00200	0.4
58.00469	1.3
59.01249	67.3
60.01586	0.8
64.29926	0.4
69.03333	1.4
71.01253	41.6
71.57770	0.4
71.58175	0.5
72.99178	2.0
73.02818	11.4
75.00755	2.2
77.90190	0.4
78.95776	24.6
83.01257	5.1
84.02039	0.4
85.02819	20.4
87.00742	2.4
89.02313	9.3
89.02824	0.7
95.01258	3.1
96.95889	0.4
96.96861	1.7
97.02835	1.0
98.20206	0.4
99.00763	5.4
101.02323	28.4
102.02705	0.5
104.97668	0.4
107.01282	2.3
109.50096	0.4
110.98435	0.6
111.00762	2.5
113.02328	16.1
116.99137	0.5
119.03390	3.7
122.52679	0.4
125.02340	1.5
126.99448	5.2
129.01836	1.5
131.03497	0.7
132.04550	0.4
136.07558	2.7
141.01852	0.4
141.98174	17.7
142.98956	62.8
143.03368	1.8
143.97873	13.0
143.99236	1.2
152.99467	4.0
159.02901	3.7
161.04469	15.3
161.05833	0.8
162.04817	0.4
171.00549	4.2
171.10190	0.5
171.13872	0.8
179.05565	1.4
191.01912	1.0
205.03543	0.8
205.08665	0.8
211.13403	0.4
241.06348	0.7
243.07944	100.0
244.06082	0.5
244.08290	6.3
255.15244	0.5
283.10941	1.2
299.25876	2.1
344.28583	0.4
345.30051	11.1
346.30051	0.4
412.77802	0.4
432.19202	1.0
473.58643	0.4
476.18179	2.5
506.25232	4.4
506.34085	3.1
507.25732	10.1
507.35339	66.1
508.20016	0.9
508.26245	1.3
508.35629	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	506.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	0.9
61.98683	1.1
63.41080	1.1
71.15758	2.0
72.64124	0.8
78.95325	1.2
78.95777	20.8
88.45695	0.8
96.71666	0.9
140.01082	5.5
152.99509	2.7
196.03729	10.1
214.04893	2.0
256.23694	2.4
281.24826	1.8
309.27972	100.0
310.28210	7.6
424.25427	1.7
448.87466	1.0
506.32559	29.8
507.32526	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	506.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02380	0.1
59.09079	0.1
62.96271	0.2
71.58305	0.1
78.95776	19.5
87.76830	0.1
96.96881	0.2
122.98389	0.1
134.98398	0.1
141.83989	0.1
152.99490	3.0
153.99796	0.2
168.04228	2.7
171.00542	0.1
194.05914	0.1
224.06885	9.0
225.07239	0.2
242.07942	2.1
267.23148	0.1
279.23294	1.9
280.23575	0.5
281.24847	100.0
282.25183	7.6
314.26871	0.1
417.23785	0.2
506.32504	20.3
507.27560	0.2
507.33112	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	506.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.8
69.60701	1.5
69.61131	1.4
71.01255	0.6
78.95770	1.1
81.34773	0.4
84.16231	0.4
85.02811	1.0
92.83022	0.3
93.03336	80.1
94.03681	2.4
94.06543	0.4
95.04885	0.4
99.36920	0.4
107.04863	0.6
109.06496	0.9
121.64824	0.4
162.12802	1.2
164.14365	3.6
174.12782	0.7
176.14383	2.1
182.05995	0.6
190.12297	4.6
196.07611	0.5
197.08394	2.7
198.09084	0.7
202.12305	1.5
208.13377	18.8
209.13734	1.9
210.09177	0.6
220.13385	11.4
220.15540	0.6
221.13733	0.9
232.17050	0.7
244.17061	1.1
255.02962	0.4
270.18735	0.5
280.17142	1.0
282.18588	0.5
284.50171	0.4
288.16183	0.5
294.74741	0.4
296.16595	2.4
296.19559	0.4
308.12961	0.5
308.16544	10.4
309.16843	0.9
314.17609	9.2
315.17868	1.0
326.17642	6.4
327.17981	0.6
338.21094	2.0
350.21191	2.4
364.19168	3.5
365.19647	0.9
375.11179	0.5
376.22708	0.5
382.20206	10.0
382.31308	0.4
383.20602	1.3
387.20047	0.4
394.20102	0.7
402.20645	5.8
403.21008	0.6
412.21317	0.6
420.21762	1.6
444.25464	3.9
488.24426	6.7
489.24582	0.7
506.25455	100.0
507.25790	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	506.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90918	0.3
56.47564	0.3
59.01239	0.9
62.17836	0.3
69.77790	0.3
70.35792	0.3
71.13334	0.6
78.95778	1.0
85.02824	1.0
93.03335	77.3
94.03677	2.4
94.06491	0.5
95.04880	0.4
109.06460	0.7
119.04895	0.8
124.39703	0.4
134.23819	0.3
152.99481	0.4
162.12770	1.0
164.14362	3.9
166.71391	0.3
172.10866	0.6
174.12759	0.4
176.14369	1.9
190.12309	5.1
196.07538	2.0
197.08322	0.6
202.12254	0.9
208.13376	18.8
209.13707	1.3
214.38489	0.4
220.13383	9.7
221.13647	0.7
232.17001	0.7
266.11914	0.4
280.17099	0.4
288.10294	0.7
289.11130	0.8
290.11829	1.0
293.21136	0.4
296.16583	3.0
302.11877	0.5
308.16611	5.9
309.16953	0.7
314.17624	7.8
315.17987	0.8
317.10635	0.6
317.14026	0.5
326.17615	4.6
327.17715	0.6
338.21350	0.7
345.13693	3.9
346.13959	0.8
348.19882	0.5
350.21274	3.9
351.21530	0.6
364.19244	1.5
376.22952	0.9
382.20291	1.2
400.98431	0.4
401.21906	1.1
402.20715	5.9
402.41086	0.4
403.21115	1.2
420.21811	1.5
426.24423	1.0
433.47952	0.4
444.25439	6.0
445.25922	1.1
470.23251	1.6
488.24402	7.3
489.24469	1.3
506.25452	100.0
507.25830	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37410	1.3
67.77374	1.4
69.88016	8.9
71.04895	10.0
78.95776	58.2
92.72614	1.3
93.09215	1.2
96.96797	2.1
97.06467	4.3
98.20440	2.5
98.47207	1.3
121.10128	4.6
125.09614	4.2
127.02771	1.4
137.09631	8.0
140.01088	12.7
152.99492	7.1
171.00555	2.9
171.10173	23.0
183.18475	1.7
185.11777	7.9
196.03763	20.0
214.04749	6.7
237.15022	2.0
243.94714	1.6
251.16502	18.8
252.16862	1.5
281.42157	1.5
291.19647	37.5
292.19995	2.3
309.20712	73.0
310.20987	3.4
346.11484	1.4
488.97614	1.6
506.25217	100.0
507.25793	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	506.2526
Annotation	Cytochalasin M
Peak:m/z	Relative Intensity
57.03323	7.7
57.48691	1.2
59.01255	8.5
69.87052	8.3
71.01257	4.2
71.04888	7.1
76.51802	1.3
78.95779	50.3
93.03346	1.6
94.26093	1.6
96.96864	4.9
97.06472	3.6
98.20433	1.8
99.04387	4.7
101.02306	2.2
107.67494	1.3
121.10107	5.5
125.02324	4.5
125.09607	3.8
137.09615	8.0
140.01097	4.8
152.99478	11.2
159.38367	1.3
171.00594	6.7
171.10179	19.1
185.11734	6.2
196.03741	3.8
197.11824	2.5
197.90895	3.0
199.90630	54.8
200.90945	1.7
214.04813	7.5
223.13246	1.4
235.17102	1.9
237.14914	1.8
251.09283	1.9
251.16513	21.1
291.19669	35.6
292.20029	3.9
305.08841	3.4
309.20728	100.0
310.21078	8.6
342.72681	1.4
393.06863	1.5
506.25223	60.4
507.25583	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	506.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	39.0
65.03838	2.4
66.38505	1.4
69.03334	1.5
69.55923	11.0
71.04893	13.0
78.95781	96.7
81.03301	1.5
95.04837	1.6
96.96844	6.4
97.06470	5.3
98.19833	1.5
107.04926	1.2
121.06493	3.2
121.07343	1.5
124.24224	1.6
125.00063	1.5
125.09576	3.2
137.09621	8.5
140.01089	8.1
151.34390	1.3
152.99487	26.2
171.00560	14.9
171.10194	21.0
185.11774	6.0
186.12114	2.0
195.13889	2.9
196.03761	10.4
207.13889	1.7
209.11826	2.6
211.13405	5.7
214.04764	7.6
221.15437	2.5
223.17105	2.7
233.15564	2.3
235.13408	2.1
236.13635	3.2
251.16518	10.4
277.14459	1.5
291.19678	34.6
292.20074	2.6
308.19550	2.0
309.20728	81.3
310.21088	6.7
358.12039	4.7
370.12112	3.2
406.16327	3.1
417.17090	6.5
429.17230	5.8
432.21729	2.3
446.24609	1.6
506.25247	100.0
506.31555	4.1
507.25558	11.9
507.32901	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	506.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75601	1.2
59.01242	4.9
69.25290	13.7
71.04884	4.4
77.27692	1.4
78.95774	23.6
81.88506	1.6
134.03615	1.8
140.01091	8.8
145.00322	1.3
149.61258	1.4
152.99492	3.9
153.55104	1.4
163.67815	1.3
169.08447	1.3
189.16510	1.5
195.13849	12.3
196.03720	4.6
207.13759	3.4
207.17496	5.5
211.13432	2.1
214.04863	8.5
220.47231	1.5
221.15390	5.7
223.17024	22.7
233.15396	12.2
235.16911	2.4
251.13881	3.1
251.16507	65.4
252.16797	4.5
273.18671	1.8
291.19717	12.8
309.20721	100.0
310.21011	10.2
415.22565	1.6
445.16501	2.1
506.25186	55.9
507.25397	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	506.2523
Annotation	Cytochalasin M
Peak:m/z	Relative Intensity
57.03316	1.4
59.01237	1.9
59.45301	0.8
59.96375	0.9
69.00233	0.8
69.92556	1.4
69.92965	3.2
71.01241	1.1
71.04890	12.0
72.26553	0.8
75.14533	0.8
78.95775	66.4
80.12079	0.7
86.12703	0.8
93.06986	1.2
96.86515	0.8
96.96851	1.4
97.06452	4.7
98.19784	1.0
107.04895	1.6
119.08590	0.8
121.10125	5.8
122.00005	2.4
123.08044	1.5
125.09616	8.1
137.09613	9.5
140.01093	18.4
141.12766	1.2
152.99464	6.1
159.01610	0.7
171.00543	2.5
171.10176	25.3
185.11745	9.5
196.03729	23.4
197.11723	1.6
207.13766	1.3
209.11758	1.4
213.36044	0.8
214.04741	6.9
219.13901	1.2
233.15430	0.8
235.17036	1.7
237.14815	1.8
246.25003	0.9
251.16486	23.7
252.16824	1.4
273.18472	1.0
291.19650	41.0
292.19962	3.6
309.20697	77.0
310.21036	6.8
506.25211	100.0
507.25583	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	506.2524
Annotation	Cytochalasin M
Peak:m/z	Relative Intensity
57.03311	1.3
59.01234	2.2
68.02402	2.7
71.02077	1.3
71.04892	3.2
71.13707	3.0
73.69109	1.2
78.95779	64.3
96.96828	2.4
97.06421	1.7
106.94016	1.3
113.85326	1.5
140.01068	12.1
152.99480	8.5
154.38860	1.2
162.95280	1.7
171.00525	5.0
195.13896	8.4
196.03752	17.7
207.17535	2.7
209.19611	1.3
214.04858	6.8
221.15387	5.0
223.17006	14.7
224.17319	1.7
233.15501	10.2
251.16515	48.0
252.16791	3.9
266.38983	1.6
273.18549	1.9
291.19705	14.5
299.13596	1.4
309.20724	66.2
310.20920	3.8
451.16443	1.4
506.25214	100.0
507.25653	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	506.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	4.9
59.01250	5.1
69.03329	2.8
69.43279	3.4
69.43706	8.3
71.01247	1.4
71.04891	2.3
72.30707	1.2
73.02821	1.7
74.15889	1.3
78.95779	84.4
80.02548	2.7
81.03340	4.2
83.01281	7.7
83.04906	3.7
95.04893	3.4
96.06504	1.4
96.96813	1.5
97.06482	3.6
109.06457	2.2
111.04425	1.9
113.09606	1.9
122.00005	2.6
123.04420	5.0
123.08059	4.1
125.05981	2.7
125.09613	9.1
135.08051	1.9
138.44203	1.1
139.11218	7.6
140.01099	23.7
151.11221	7.2
152.99504	13.5
153.09183	1.3
157.58043	1.1
163.11214	7.4
165.12779	18.6
167.10693	4.5
171.10240	2.1
179.10721	3.8
181.12296	8.7
191.10730	3.9
193.15933	3.7
196.03758	33.0
207.10234	2.8
209.11787	67.4
210.12137	3.2
211.13336	2.0
214.04845	10.6
247.20686	12.5
256.62695	1.3
262.06116	1.4
263.20078	2.0
265.21683	3.2
273.18628	2.8
281.21182	2.5
291.19684	67.8
292.20071	4.4
293.21313	2.0
309.20718	51.7
310.21060	3.6
389.39401	1.5
488.31778	1.4
506.25262	100.0
506.31787	5.9
507.25552	11.4
507.33142	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	506.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	3.9
59.01247	12.5
60.41108	2.6
69.03355	3.3
70.32517	3.6
70.32861	10.2
74.59246	2.2
78.95772	38.3
80.02528	3.3
81.03316	3.6
82.57055	2.9
83.01267	9.5
83.04903	6.7
95.04898	3.4
98.20568	3.1
123.08015	2.9
125.09617	9.2
139.11174	10.1
140.01076	11.0
150.91454	2.8
151.11198	4.2
152.99487	10.5
163.11191	9.0
165.12813	18.1
167.10735	6.8
171.10168	6.5
179.10715	3.6
181.12352	6.2
191.10687	4.6
193.15939	3.4
196.03789	8.2
209.11772	94.9
210.12221	4.0
211.13361	3.1
214.04889	12.2
225.14926	2.5
247.20625	10.7
263.16718	2.5
265.21811	4.4
273.18756	2.9
291.19666	100.0
292.20032	7.3
305.78064	2.5
309.20712	98.3
310.20969	7.1
310.71307	2.7
505.31500	3.1
506.25189	56.0
506.31924	6.5
507.25391	5.3
507.33212	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	506.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46441	1.3
57.03326	2.0
59.01239	4.0
61.98691	2.3
69.92662	5.7
71.01254	18.2
72.00764	2.5
72.01588	1.2
75.00764	1.8
82.02863	2.1
84.04405	1.3
85.02824	10.4
89.02346	1.6
96.95914	2.4
100.03912	16.6
111.00760	3.6
112.03909	2.7
118.05034	1.8
120.27041	1.1
129.01831	2.1
129.06549	1.8
140.07045	1.6
147.02974	1.6
164.14351	2.3
175.08426	1.1
176.14386	2.6
178.15936	3.7
184.06094	2.0
191.01923	3.0
193.05003	1.3
201.08725	1.5
204.13831	3.7
208.13403	3.0
209.02995	2.0
220.13391	4.1
222.14946	15.5
260.16531	3.4
272.08841	1.5
277.19196	19.5
289.19250	1.4
305.22479	1.8
317.22250	6.8
321.18164	22.1
322.18555	2.7
334.25055	3.9
346.25012	15.2
347.25122	1.8
349.21674	1.7
356.26627	1.4
360.22787	6.9
361.21298	8.6
374.28101	7.0
378.24045	4.3
390.23987	10.4
391.24713	2.4
400.25989	5.5
418.27087	12.6
419.26865	1.7
422.22873	5.2
434.22964	11.8
444.24875	2.7
462.26086	40.6
463.26529	6.5
478.25464	4.6
488.23724	2.9
506.25070	100.0
507.25586	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	505.3171
Annotation	Iriomoteolide 1a
Peak:m/z	Relative Intensity
57.03314	4.4
57.62812	1.2
59.01252	7.7
64.92251	1.4
69.03313	4.2
69.87063	5.3
69.87473	2.6
71.01255	8.2
71.04884	1.9
78.95782	22.7
83.04892	6.4
85.02763	1.5
85.06472	2.3
95.04899	4.4
97.06480	6.6
98.20438	2.3
99.08038	1.6
107.04921	2.6
107.09764	1.2
109.06451	2.8
111.04377	3.4
119.04925	1.2
123.08022	3.1
125.05988	6.2
130.70741	1.2
135.08012	1.3
137.09608	3.9
139.11176	1.8
140.01099	3.3
149.09567	2.0
151.07579	3.8
152.99507	9.5
153.49948	1.1
155.10670	2.7
167.10675	5.3
171.00565	2.5
171.10190	3.4
179.10762	2.3
187.50391	1.2
189.12894	1.4
193.12306	6.2
196.03783	2.1
205.15874	3.2
207.13925	2.3
209.11794	3.6
209.15393	6.4
223.17009	2.2
225.14944	1.3
233.15459	3.6
235.17075	2.6
251.16426	4.0
259.13406	1.7
261.15060	1.4
265.14359	1.3
267.16000	5.4
271.17050	1.5
279.15814	1.6
289.18192	1.7
291.19675	12.7
307.19016	1.3
309.20682	17.1
313.47302	1.3
323.22385	4.4
337.25134	1.3
365.82404	1.2
375.29004	2.2
385.27457	5.4
387.25272	2.0
403.28574	11.8
404.28824	1.9
443.31485	1.6
461.32672	7.0
469.29745	1.9
477.32144	7.2
487.30869	10.2
505.31760	100.0
506.25262	13.6
506.32132	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	505.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28937	4.0
57.03315	5.6
59.01249	61.2
60.00490	4.9
71.01245	13.4
71.49908	9.5
72.99176	7.1
75.00747	11.4
78.95773	35.4
81.42300	5.4
85.02820	18.5
87.00763	6.2
94.28612	5.0
99.00779	8.3
105.35821	4.8
110.98405	6.4
113.02322	17.6
150.12444	5.3
152.99463	29.8
167.01065	12.0
180.86043	4.6
227.03221	6.0
236.32999	4.5
241.95438	4.9
249.06120	15.8
255.23296	95.1
273.21606	4.9
277.21686	17.2
279.23294	100.0
280.23590	9.1
281.25073	6.0
337.18707	5.9
407.29712	6.0
425.30295	6.0
445.33273	14.1
447.25180	35.6
505.22726	7.7
505.30249	69.9
506.30176	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	505.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	3.3
59.01246	9.1
69.03314	4.1
70.23567	4.2
70.23959	3.0
71.01254	17.3
72.99171	2.8
75.00753	14.3
78.95778	16.5
82.87910	1.3
83.01244	2.8
85.02824	21.0
87.00753	5.3
89.02328	3.0
91.03849	1.7
95.01266	6.1
99.00761	13.9
111.00762	4.2
111.72281	1.5
113.02333	28.5
126.39217	1.4
131.03392	3.2
139.00220	1.9
140.01044	2.5
152.99500	9.3
157.01289	2.8
196.03635	3.4
197.04222	1.8
205.07243	1.9
227.03214	1.9
249.06120	21.0
255.23270	100.0
256.23694	3.5
267.07166	6.9
269.24689	1.9
277.21738	2.3
279.23254	19.4
281.24805	1.6
307.26434	11.5
308.26736	33.8
337.19131	2.1
358.85663	1.8
434.98477	2.0
447.25278	4.0
487.29877	2.2
491.79666	1.8
505.30292	94.5
506.30466	11.9
515.92072	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	505.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.6
57.03316	3.0
59.01249	10.3
61.87275	0.8
67.01720	0.9
68.99687	1.7
69.03325	4.7
70.75761	2.0
70.76122	1.6
71.01256	21.5
72.99180	2.7
73.02819	1.7
75.00746	15.6
78.95773	1.8
83.01260	6.0
85.02833	22.5
87.00742	7.9
89.02299	4.2
89.50604	0.8
91.03867	1.2
95.01266	6.5
99.00169	1.4
99.00770	16.7
103.00246	1.3
111.00776	4.0
112.01533	1.2
113.02335	31.1
115.00278	1.3
129.01810	1.5
131.03404	3.4
139.00267	1.4
157.01309	4.4
175.02367	2.1
205.07097	3.6
223.08093	0.9
249.06125	28.0
250.06470	1.4
255.23268	100.0
256.23605	6.9
267.07208	6.9
277.21570	1.3
279.23309	3.8
471.98743	1.0
505.30200	87.5
506.30606	9.8
509.21005	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	3.8
57.03333	8.8
59.01255	63.7
65.53241	2.4
67.50889	2.9
68.95935	2.4
70.87168	5.1
71.01252	100.0
72.99182	14.2
73.02814	11.9
75.00750	12.1
78.95775	39.5
83.01263	4.5
85.02827	34.2
87.00742	15.3
88.23355	2.8
89.02324	24.5
93.03350	5.9
95.01272	2.9
95.04946	3.4
96.95904	4.8
96.96832	4.1
97.02849	3.8
97.06477	8.5
99.00771	4.9
101.02314	26.9
108.65284	2.1
109.02848	2.7
111.00788	13.9
113.02351	21.9
115.00256	58.2
119.03402	3.5
121.02852	6.1
123.04436	2.9
125.02328	6.1
125.09624	3.4
129.01833	5.7
133.02837	7.1
133.04962	3.0
134.03618	7.1
137.02364	4.9
151.00285	7.2
152.99516	7.0
159.02917	3.1
160.95552	3.2
161.04478	6.0
163.00349	3.1
171.00537	7.8
171.10179	11.4
173.00792	5.1
177.01912	3.0
177.03319	3.2
178.02638	4.0
183.13867	5.4
185.11781	5.7
191.01869	3.0
197.11757	3.5
209.02956	4.3
209.11783	21.1
211.13316	33.6
221.11777	5.1
221.19104	9.6
229.14340	18.2
232.07681	4.4
239.12750	3.3
243.02950	14.4
255.02979	21.4
265.18134	6.6
269.17563	9.4
271.02448	52.3
272.02957	7.4
283.19141	8.3
291.19614	6.6
299.01959	3.6
300.02728	76.4
300.06131	4.7
301.03427	38.5
301.14655	3.8
301.20355	14.8
309.20505	4.3
324.14545	2.6
326.11871	21.1
327.15991	3.9
327.21756	85.0
328.22177	7.3
343.28583	3.4
345.16995	7.8
445.24286	6.9
463.25589	17.2
487.32190	4.4
503.63812	2.9
505.10001	50.7
505.26474	67.8
505.33911	33.6
506.10095	8.2
506.25754	34.0
506.33347	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10732	0.7
59.01247	1.8
69.46211	0.9
69.46438	3.7
69.46855	4.0
78.95771	12.3
84.22752	0.8
88.08898	0.9
96.96846	2.0
97.30791	1.0
152.99500	20.3
192.70042	0.8
227.03206	3.1
233.22502	1.5
245.04189	1.7
275.20352	0.8
277.21716	100.0
278.22101	6.5
394.75101	0.8
505.25720	23.7
506.25769	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	505.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80610	0.7
58.02848	1.9
59.01256	7.9
69.79132	5.5
70.02847	9.2
71.01263	3.4
71.04887	11.0
71.39809	0.9
73.01310	0.7
73.02806	1.7
78.95784	2.3
83.01237	1.4
83.04915	1.2
85.02815	1.3
87.05499	4.8
89.02322	1.2
98.19969	1.4
99.04399	4.8
101.02325	3.4
108.76717	0.9
112.51746	0.8
113.02332	2.2
116.07056	2.8
129.05524	1.3
130.03235	7.9
142.66412	0.8
143.04564	0.9
146.08136	63.4
147.05850	2.3
147.08456	1.1
152.99440	1.5
161.04445	1.1
195.80913	0.8
203.08418	1.1
209.11781	13.8
217.11903	15.4
227.12871	6.0
228.13249	0.9
277.12262	100.0
278.12582	4.7
289.51044	1.1
313.16486	1.1
322.61069	0.9
334.70251	0.9
343.21396	1.7
374.59122	0.9
386.19669	0.9
400.87622	0.8
445.20398	5.8
463.25525	3.1
505.26413	13.1
506.26422	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	505.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	0.8
69.77939	0.4
69.94384	0.4
71.01263	0.4
71.04177	0.6
71.04519	0.5
78.95774	15.8
87.71679	0.4
88.97451	0.4
96.96828	1.6
113.14682	0.4
145.13142	0.4
152.99484	25.7
153.99794	0.6
171.00575	1.1
227.03256	4.5
245.04305	1.8
254.10783	0.4
259.20639	0.7
275.20303	0.6
277.21713	100.0
278.22040	11.8
413.20859	0.5
505.25690	40.6
506.25998	6.3
513.03479	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.9
66.20705	0.6
69.46124	1.7
69.46548	3.5
73.98277	0.6
78.95776	31.5
96.96848	2.2
117.40221	0.6
152.99496	43.6
167.67105	0.7
171.00549	2.9
178.51079	0.6
201.99342	0.6
227.03253	7.0
230.19122	0.6
234.74689	0.7
245.04213	2.0
259.20737	0.7
277.21725	100.0
278.22095	8.5
279.20963	0.4
279.23282	16.5
280.23639	28.8
384.45035	0.6
413.21027	1.1
430.03595	0.7
433.18375	0.6
505.25671	55.0
506.26035	6.8
534.47131	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.3
65.74667	0.4
69.57803	3.3
69.58208	0.9
72.56332	0.4
78.95782	8.4
96.96813	0.5
107.24283	0.5
128.59850	0.5
152.99503	16.3
171.00557	1.5
185.82648	0.5
227.03241	2.1
233.22704	0.7
239.17418	0.4
245.04329	1.8
277.21729	100.0
278.22052	8.5
372.31985	0.4
378.70990	0.5
505.25760	19.8
506.26059	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	505.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79092	1.8
54.56699	1.5
55.01764	2.7
57.03320	2.7
58.02854	1.7
59.01254	38.4
70.02856	9.9
71.01257	33.7
71.04896	12.1
71.57961	1.8
72.99184	2.1
73.02821	9.0
78.95783	6.9
79.45103	1.8
83.01263	3.4
85.02813	12.6
86.76615	1.7
87.00744	3.8
87.05519	4.7
89.02319	14.6
92.48393	1.9
93.03345	1.6
96.95946	1.8
97.02834	2.5
99.00758	2.8
99.04395	4.4
101.02328	23.4
101.56179	1.5
102.96710	1.6
105.98820	1.6
107.70982	1.6
111.00783	2.0
111.98617	1.4
113.02348	8.3
115.00227	2.5
116.07044	2.7
121.02883	2.3
125.02375	2.1
130.03207	7.0
131.03403	7.2
138.86827	1.6
143.03395	2.9
146.08136	75.2
147.05855	3.1
149.04491	4.0
152.99486	4.0
161.04520	9.2
198.00131	1.7
209.11826	12.5
217.11885	15.9
227.12872	5.6
229.86082	1.6
258.82089	1.7
277.12277	100.0
278.12628	3.6
313.16498	11.4
343.21109	4.5
445.20740	75.5
446.21100	8.3
463.25650	2.5
505.26306	29.3
506.26743	3.2
531.53143	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	505.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	2.5
58.00462	1.4
59.00956	1.6
59.01254	32.3
70.00793	2.5
70.01205	3.9
71.01255	34.0
73.02817	8.4
78.95778	34.8
79.96917	1.2
80.25876	1.3
83.01279	3.3
85.02816	12.4
86.99688	1.1
87.00739	2.3
87.67155	1.1
89.02316	17.8
96.96850	2.5
99.00743	4.0
101.02330	22.2
111.00816	2.9
113.02345	11.7
115.03844	1.6
125.02335	3.4
131.03418	9.5
140.41409	1.2
149.04448	9.8
152.99487	6.7
159.02884	1.9
161.04521	7.1
171.00534	3.4
191.05519	2.7
233.06737	2.3
293.08835	1.4
313.16592	13.9
322.60446	1.4
430.27396	1.5
445.20746	100.0
446.21085	11.0
463.25552	1.9
505.26868	6.9
506.25217	22.3
527.42969	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	505.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	2.4
57.03308	2.5
59.01250	43.5
69.03311	1.5
69.33886	7.1
69.34316	1.6
71.01253	45.0
72.99156	2.4
73.02818	12.3
78.95776	41.0
83.01254	3.7
84.10432	0.9
85.02824	14.1
87.00732	2.5
89.02317	22.4
93.81026	0.9
95.01238	2.2
96.96841	3.6
97.02814	2.0
99.00756	5.3
101.02324	29.8
109.06462	1.1
110.98421	2.9
111.00745	3.9
113.02336	16.3
115.03926	1.0
119.03372	1.3
121.02795	1.2
123.04410	1.1
125.02319	3.3
129.01871	1.1
131.03394	15.7
135.04433	0.9
143.03409	2.2
149.04465	10.7
151.11205	1.6
152.99515	11.3
159.02959	1.9
159.70715	0.9
161.04462	9.9
171.00552	6.2
191.05551	2.9
209.11795	1.4
233.06517	2.6
261.15012	1.0
281.14218	0.9
293.08905	1.5
313.16611	15.2
314.16962	1.8
445.20749	100.0
446.21014	9.9
461.19226	1.2
487.30707	1.2
505.25955	7.6
505.32629	2.0
506.25272	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	505.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.7
57.03302	0.7
59.01249	28.9
61.98692	0.7
64.51746	0.4
69.26692	5.3
69.63569	0.6
71.01249	5.6
71.04837	0.5
73.02795	1.2
75.00733	0.5
78.95795	2.5
78.96169	0.4
83.01257	0.9
83.04879	0.5
85.02820	3.6
89.02321	2.4
93.03340	1.0
96.95867	0.6
99.00754	0.9
101.02306	3.8
111.00744	1.2
113.02307	1.9
115.00249	0.7
119.03369	1.2
128.99095	0.6
133.02861	0.7
134.03653	1.0
137.02258	0.5
141.42560	0.5
143.03445	0.6
152.99602	0.8
161.04445	1.1
178.02682	0.7
191.10623	0.5
209.11763	100.0
210.12096	6.8
211.13318	0.8
215.18126	0.5
235.08232	3.0
241.07976	2.7
253.09254	9.9
254.09470	0.6
255.03049	1.1
261.48212	0.5
271.02441	2.6
300.02643	3.7
301.03290	1.2
304.13956	0.5
309.20587	0.8
327.16064	0.8
343.21417	0.6
345.16946	1.2
445.20978	0.9
445.31848	0.6
505.10324	2.2
505.23447	2.2
505.30463	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	505.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.3
59.01250	5.1
60.01595	0.3
61.01661	0.5
65.09182	0.2
69.31232	1.9
71.01260	2.1
73.02779	0.3
78.95761	1.1
83.04900	2.8
85.02805	1.4
86.31116	0.2
89.02302	0.8
93.03355	0.4
94.45969	0.2
98.19808	0.4
99.00751	0.3
101.02319	1.1
107.04886	0.2
111.00768	0.4
113.02338	0.6
115.00256	0.4
122.03632	4.1
123.07999	0.3
133.02876	0.3
134.03677	0.4
135.04411	1.8
136.05118	0.2
137.02344	0.3
137.05975	0.7
140.01051	0.3
142.93597	0.2
144.76666	0.2
148.01538	0.9
152.04134	0.2
157.06480	0.4
159.04411	0.4
161.02353	0.7
161.04462	0.5
162.03191	1.4
170.07280	0.5
171.08078	3.7
173.05981	0.7
174.06798	2.2
175.03854	0.6
177.09103	0.8
178.02650	0.3
181.74619	0.2
185.06085	0.5
187.07568	0.8
188.08359	3.4
189.09103	1.3
197.09752	0.2
197.11742	1.3
198.03162	0.2
199.02267	0.4
200.04726	0.3
201.05504	2.2
202.06168	0.4
202.09953	0.3
209.11714	0.6
211.13240	0.3
213.05569	0.5
215.07089	7.0
215.10435	0.3
216.07858	7.5
217.08250	0.5
229.08627	0.3
255.03017	0.3
255.13623	0.3
256.14719	0.3
257.15457	0.3
258.12482	0.4
271.02588	0.3
273.14923	0.9
283.13400	1.0
291.19989	0.3
299.12946	1.3
300.02689	0.7
300.13608	1.5
301.14438	100.0
302.14786	9.0
309.20798	2.0
325.14383	0.5
343.15424	0.5
343.28589	0.4
345.16928	0.3
371.15161	0.2
377.88580	0.2
445.18631	0.7
482.43567	0.2
504.23883	0.3
505.10394	0.5
505.23386	2.6
505.33780	1.0
506.25327	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68084	0.3
59.01252	40.8
60.01580	0.4
70.88351	0.7
72.99181	9.6
73.02788	0.4
75.00745	11.9
83.11184	0.3
85.02813	1.0
89.02336	0.8
96.95911	0.9
101.02310	0.6
111.00709	0.4
147.06535	100.0
147.23256	0.3
148.06871	3.1
153.05478	1.0
191.01883	0.4
237.06076	0.5
267.09991	0.4
295.10294	0.4
309.12140	0.4
379.85031	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
64.96697	4.1
66.92326	4.5
69.35331	47.6
71.01257	89.1
72.99188	8.3
73.02787	11.8
74.12053	4.4
74.74289	4.3
75.00741	12.0
78.95787	6.7
83.01212	4.3
83.04890	6.5
85.02828	12.7
87.00735	8.6
89.02323	79.4
93.03333	15.7
95.01273	6.5
95.04844	5.5
96.57340	4.3
97.02843	8.7
99.00735	5.1
99.16161	4.4
101.02328	53.0
113.02348	31.6
115.03880	9.5
116.05028	5.4
116.18623	4.9
119.03378	24.5
119.04876	9.4
125.02364	4.5
125.05985	5.7
127.04929	5.1
130.04114	6.2
133.04971	5.3
134.03645	11.6
143.03374	10.5
143.04565	4.8
149.02339	5.5
150.03113	10.7
152.99516	5.3
161.04485	13.8
165.05475	18.4
171.10182	27.4
178.04765	4.5
179.05569	37.9
185.11748	7.8
193.04968	35.3
195.06544	12.3
201.11238	10.2
203.08258	27.1
209.11795	5.3
237.14786	7.9
249.09273	36.2
279.10327	12.4
289.18069	7.4
293.08173	11.5
294.48770	5.1
325.10138	6.7
325.20184	12.3
343.21259	48.1
343.25162	6.8
385.22134	13.2
415.23276	7.5
429.15463	15.8
441.15515	17.4
445.24805	8.0
505.13931	7.9
505.27451	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	505.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	5.5
59.03336	0.6
65.00140	0.7
71.01257	4.4
71.04890	2.7
71.57671	0.8
72.99187	2.6
73.02819	0.9
75.00745	22.5
79.95601	0.7
83.01237	0.6
85.02818	6.0
87.00719	0.8
89.02314	2.3
91.35298	0.6
93.03323	2.2
96.95913	1.4
101.02316	2.5
108.02091	0.7
111.00745	4.1
113.02332	1.6
115.03899	40.1
119.03384	1.6
121.02831	3.9
122.03627	4.3
129.01849	1.0
133.02835	2.1
133.04958	10.6
134.03638	30.4
135.04054	1.1
137.02341	5.3
139.03998	1.4
144.07706	0.9
149.02351	8.1
149.05991	10.1
150.03136	36.9
151.00261	2.1
151.03441	1.9
160.01570	1.2
164.04700	2.5
165.05495	42.9
165.87743	0.7
166.05804	2.4
173.00813	1.6
175.03934	1.2
178.02637	19.1
178.99835	1.2
179.05542	1.7
179.07010	0.6
180.04239	2.8
183.01154	0.9
191.01953	1.1
193.05002	100.0
194.05342	4.8
195.06570	40.6
196.06946	1.7
203.08269	0.8
206.05956	0.7
223.06096	1.2
227.03357	1.0
243.02980	2.5
255.02948	5.1
271.02463	13.3
272.02899	1.7
282.09067	1.0
288.03970	0.6
292.12949	1.4
293.13434	1.3
300.02740	21.4
301.03500	10.7
325.14713	0.8
341.10385	2.5
342.11243	0.7
343.11560	0.8
353.60422	0.6
389.12473	6.5
399.17319	1.1
463.09116	1.0
505.09753	13.2
505.20227	6.5
505.27463	4.5
506.10019	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	505.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01345	0.7
55.01757	0.9
57.03329	1.3
59.01250	64.5
65.47807	0.7
69.51818	3.1
69.52235	2.6
71.01252	24.7
72.34618	0.8
72.99198	1.9
73.02827	8.2
75.00742	0.9
78.95780	11.3
83.01241	2.8
85.02824	9.1
87.00778	1.2
89.02332	5.0
93.03342	0.8
94.04563	0.6
95.01292	0.8
96.96857	1.0
99.00769	2.6
101.01674	1.4
101.02312	13.8
111.00746	2.4
113.02314	7.5
114.99461	2.5
115.00260	8.2
119.03408	2.1
125.02361	1.0
125.05994	1.2
129.01814	1.4
134.03603	1.5
141.98172	100.0
142.98434	3.7
143.03409	1.3
148.01546	1.0
149.04454	1.1
152.99495	2.2
159.02948	1.6
161.04497	4.8
171.00592	2.1
173.04472	0.8
177.01895	1.2
195.13837	1.1
196.91476	1.1
197.02733	2.3
198.03128	1.4
199.02283	1.6
205.08665	5.6
205.12378	0.8
209.03032	1.3
209.11806	2.5
211.13342	1.3
219.78793	0.7
223.13338	8.7
224.13651	0.7
227.19485	0.7
238.65083	0.9
241.06328	80.4
242.06685	5.6
253.09254	2.4
255.02943	1.6
271.02371	2.2
285.03253	0.8
287.05948	0.8
290.18439	0.9
300.02618	4.3
300.05676	0.9
301.03360	1.9
323.16766	0.8
324.17065	1.0
325.16458	2.0
343.28500	2.8
345.17224	1.1
459.22186	1.8
504.23431	6.3
505.10010	2.9
505.23303	12.3
505.33835	24.0
506.25476	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	505.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	5.6
65.00155	1.4
68.05331	1.0
68.45703	1.0
71.01251	11.1
71.57304	1.1
71.57671	1.0
73.02823	2.0
77.78590	1.0
83.01260	1.2
85.02831	4.1
87.00757	1.4
89.02293	1.6
93.03333	48.9
94.03665	1.5
95.01288	2.3
96.95876	1.6
96.99199	1.3
100.76299	0.9
101.02335	7.2
101.07626	1.3
107.01286	3.4
108.02061	4.2
109.02861	1.8
109.62045	0.9
113.02345	3.9
116.21230	1.2
121.02848	5.1
125.02350	1.3
131.04947	1.2
134.03699	1.7
135.04434	2.8
136.01572	4.8
137.02339	61.8
138.02698	2.5
142.67235	0.9
147.04420	2.1
148.01563	1.3
149.02348	14.5
151.00285	11.2
151.03926	4.1
151.97026	0.9
152.01047	4.9
163.00356	2.1
163.03941	4.3
164.04695	15.1
165.01781	1.4
169.04977	1.7
172.85220	1.1
178.99712	5.0
179.03259	1.5
179.07047	7.4
191.03479	1.5
193.01347	10.3
208.03697	29.8
209.04211	2.3
211.03999	1.4
223.06068	41.7
224.06383	1.8
226.02638	2.2
227.03517	3.6
242.41483	1.2
243.02939	11.1
249.09209	3.5
254.02182	1.8
255.02948	28.3
256.03201	2.3
267.10211	7.6
271.02457	60.8
272.02832	7.0
273.03793	1.3
279.10248	4.3
281.06647	24.4
282.07031	1.6
283.02396	1.1
299.02011	1.5
300.02728	100.0
301.03433	43.4
302.03915	2.9
313.39151	1.1
323.64850	1.2
326.03067	1.3
461.14603	3.0
463.08899	3.5
505.10370	33.3
505.13409	46.2
506.13647	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0989
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
59.01247	1.6
63.02263	0.8
65.00191	1.1
70.98003	0.3
70.98361	0.3
71.01267	0.4
72.99190	0.2
73.02802	0.3
76.68748	0.2
78.95757	0.2
83.01252	0.8
85.02835	1.0
89.02322	0.3
91.01762	0.4
92.71419	0.2
93.03331	0.6
96.95860	1.0
101.02338	0.4
102.01830	0.2
107.01265	2.9
108.02054	1.4
109.02836	1.8
111.00768	0.4
113.02317	0.2
115.03903	3.0
118.19385	0.2
119.01254	0.3
121.02859	2.4
123.00771	0.2
124.01579	0.3
125.02374	0.3
133.02849	0.3
133.04984	0.5
134.03616	1.8
135.00764	1.0
136.01585	0.4
137.02307	0.9
139.03929	0.2
145.02887	0.2
146.03770	0.2
147.00755	0.2
147.04448	0.2
148.01598	1.6
149.02371	1.5
149.05992	0.6
150.03139	2.4
151.00272	10.8
151.03856	0.3
152.00719	0.2
152.67268	0.2
153.01802	0.2
155.04906	0.2
159.04404	0.4
163.00278	2.8
164.01109	0.8
165.01802	0.4
165.05486	3.1
167.04880	0.3
169.01384	1.1
171.04466	0.2
171.10233	0.3
171.66133	0.2
173.00980	0.2
174.03111	0.3
175.03992	0.2
178.02693	0.9
178.99783	5.7
180.04213	0.3
183.01086	0.4
183.04422	0.5
184.01801	0.2
185.02350	0.4
185.06000	0.2
186.03171	0.2
187.03940	0.7
190.99973	0.2
191.01939	0.2
192.00549	0.4
193.01376	0.3
193.04980	4.6
195.06548	2.3
197.02628	0.3
198.03107	0.3
199.03941	1.2
201.01833	0.4
201.05481	0.4
202.02757	0.2
203.03407	0.4
209.02713	0.5
209.11919	0.3
211.03952	1.0
213.01826	0.3
214.02577	0.2
215.03423	1.0
216.04259	0.6
226.02696	1.3
227.03439	3.4
228.03909	0.4
229.01459	0.2
229.05016	0.8
236.41693	0.2
239.03439	0.4
242.02295	0.2
243.02960	11.0
244.03423	1.2
245.04488	1.3
250.06293	0.3
254.02209	2.1
255.02962	28.3
256.03348	2.5
257.04507	0.3
266.02222	0.2
271.02466	57.8
272.02914	6.0
273.03943	1.2
282.09024	0.4
283.02441	1.2
284.03366	0.2
286.01205	0.4
299.01990	2.6
300.02734	100.0
301.03445	52.8
302.03845	4.1
313.03564	0.2
325.14664	0.6
325.20319	0.2
341.10223	2.5
342.10724	0.2
343.11972	0.4
389.12473	1.0
445.07703	2.8
446.08328	0.3
463.08746	2.3
464.09052	0.2
468.09113	0.2
501.44858	0.2
505.09872	50.7
505.21545	1.9
506.10117	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	505.0989
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
55.29266	0.1
59.01250	0.2
63.02261	0.7
65.00191	1.3
71.13590	0.2
72.14600	0.1
72.29427	0.1
78.90607	0.1
83.01262	0.8
91.01765	0.3
93.03329	0.5
107.01266	2.6
108.02042	1.7
109.02841	1.5
111.00827	0.2
119.01266	0.5
119.17075	0.1
120.02072	0.2
120.97012	0.1
121.02837	2.1
121.03655	0.2
123.00774	0.1
124.01547	0.2
125.02326	0.3
135.00761	0.7
137.02357	0.6
147.00774	0.2
148.01555	1.8
149.02307	0.5
151.00281	10.9
152.00671	0.5
153.01816	0.2
158.07277	0.1
159.04398	0.3
161.02361	0.2
163.00291	3.0
163.03911	0.2
164.01085	0.9
164.04710	0.2
165.01764	0.3
167.04944	0.2
169.01337	0.8
171.04401	0.3
173.06107	0.2
174.03191	0.4
175.03966	0.3
178.99799	5.6
180.00175	0.2
183.04442	0.5
185.02322	0.2
187.03918	0.6
188.04774	0.2
190.02733	0.2
190.99803	0.4
192.00522	0.3
193.01413	0.2
195.04436	0.2
198.03156	0.3
199.03934	1.0
200.04465	0.2
201.01921	0.4
201.05562	0.4
203.03481	0.4
208.03636	0.2
209.00836	0.2
211.03932	1.3
212.04602	0.2
213.01773	0.1
214.02686	0.2
215.03497	0.8
216.04189	0.6
223.06081	0.2
226.02660	1.9
227.03458	4.1
228.03972	0.5
229.01462	0.2
229.04933	0.8
239.03357	0.5
242.01909	0.3
243.02950	11.9
244.03505	1.1
245.04527	1.4
254.02176	2.6
255.02959	28.6
256.03369	2.5
257.04523	0.3
267.10126	0.3
271.02463	63.3
272.02921	6.7
273.03958	1.1
279.10352	0.2
283.02429	1.2
284.03061	0.2
299.02060	1.5
300.02731	100.0
301.03424	44.6
302.03857	3.5
343.04517	0.6
369.87457	0.2
445.07709	0.2
463.02789	0.2
463.08887	2.6
464.09161	0.4
505.09836	46.8
506.10193	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	504.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79597	0.1
59.01238	0.9
62.96280	0.2
71.01269	0.3
76.74641	0.1
78.95776	23.5
96.96835	0.4
113.11288	0.1
122.98380	0.2
134.98422	0.3
149.84512	0.2
152.99483	3.6
166.24399	0.2
166.68903	0.2
168.04239	3.1
171.00761	0.2
193.16093	0.2
194.05847	0.2
224.06874	9.9
225.07227	0.5
227.03325	0.2
229.93951	0.2
242.07936	2.2
242.44629	0.2
261.22281	0.3
277.21704	6.3
278.22073	1.5
279.23282	100.0
280.23633	8.5
280.26782	0.4
337.69302	0.2
445.23560	0.2
446.23953	0.3
504.30963	19.4
505.19232	0.4
505.25467	0.5
505.31708	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	2.9
59.01249	9.6
69.03332	1.9
69.46336	16.2
71.04868	2.0
72.99192	2.1
78.95777	82.8
81.03327	5.1
83.01266	7.1
83.04916	3.0
93.03309	1.9
95.04909	4.2
96.95919	2.2
97.02835	4.8
97.06461	10.1
99.00826	2.1
99.01584	1.9
99.04417	2.8
104.97445	2.1
109.06471	3.8
114.01840	1.7
121.02840	2.0
121.06438	2.0
122.00003	4.5
123.04402	7.1
123.07999	3.0
125.09613	13.2
137.09615	5.6
140.01082	26.1
148.21794	1.9
151.11259	2.9
152.99493	12.8
153.00555	2.3
163.07610	2.7
163.11185	15.3
165.12804	3.7
167.10657	1.9
171.10220	3.7
179.10640	2.3
181.12259	4.4
185.11714	9.0
191.10739	4.4
191.14328	14.2
196.03738	39.1
207.10255	8.8
208.10428	1.9
209.11781	53.5
210.12115	3.8
214.04828	10.0
217.16031	1.9
225.11290	6.3
245.19061	27.3
246.19397	2.8
271.17020	2.2
272.15131	1.7
289.18100	65.6
290.18451	6.7
303.58228	1.9
307.19125	47.3
307.32529	1.9
308.19458	2.5
311.29562	1.8
504.23724	100.0
504.30109	5.0
505.24246	13.2
505.31625	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	504.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43153	0.5
52.18874	0.5
59.01242	1.4
68.52026	0.6
71.01241	0.7
71.20318	1.2
75.00742	3.5
79.95604	2.2
85.02818	0.9
96.95886	100.0
97.95848	0.6
110.45373	0.5
130.29245	0.5
133.04916	1.5
135.35548	0.5
136.81126	0.6
183.99144	0.8
190.77602	0.5
243.83141	0.5
310.03568	2.7
493.71973	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	4.8
59.01247	6.7
62.45645	1.7
65.03841	48.8
66.24689	1.8
70.98340	4.9
71.01231	4.5
71.04897	35.3
75.00774	1.7
78.95778	68.3
80.57564	1.7
81.03312	3.1
83.04907	3.9
96.96840	3.6
97.06470	61.1
101.02364	2.4
109.06496	3.5
110.07713	1.8
113.47967	2.0
119.08559	5.3
121.06490	76.1
122.06862	2.1
122.98402	2.9
123.08059	3.5
125.09619	36.1
129.18150	2.0
137.09618	3.0
140.01091	12.5
152.99525	23.3
156.38129	1.8
162.46014	2.1
171.00499	3.4
171.10175	20.5
185.11781	60.7
193.46802	1.8
196.03722	11.1
209.11792	33.9
211.13365	34.0
212.13680	2.2
214.04776	18.6
221.19092	3.3
229.59769	1.8
233.15497	4.1
235.13370	100.0
236.13715	4.6
238.80925	2.1
271.62848	1.8
283.19067	2.7
289.18091	27.1
290.18524	2.6
301.20261	3.0
307.19150	71.1
308.19501	6.8
327.21924	2.5
406.16144	2.4
445.24738	4.3
448.19080	1.9
463.25531	6.7
504.23755	98.9
505.26462	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	504.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.2
55.15086	1.3
57.03335	2.6
59.01250	2.4
59.30497	1.4
65.03837	27.5
71.04897	24.6
71.29671	1.9
78.95779	80.7
79.25990	1.4
81.51785	1.5
83.04900	3.7
96.96819	2.4
97.06470	24.9
109.06460	1.9
119.08559	4.2
121.06485	39.7
121.99996	2.6
122.06834	2.0
125.09623	20.4
130.98032	1.4
133.23692	1.3
138.46660	1.5
140.01074	19.4
143.13971	1.6
152.99474	11.2
158.24496	1.4
160.64836	1.3
171.00641	2.1
171.10165	9.5
181.96080	1.7
184.24667	1.3
185.11757	33.3
196.03749	25.9
209.11815	16.9
210.12082	2.6
211.13351	18.1
214.04837	8.6
214.06480	1.4
217.12408	1.3
233.15541	1.5
235.13367	64.7
236.13724	5.4
245.42038	1.4
273.70261	1.3
284.03156	1.5
289.18079	13.7
290.18405	2.1
307.19141	31.8
308.19418	2.1
326.62708	1.7
350.50735	1.5
360.13135	1.5
418.49423	1.6
504.23703	100.0
505.23816	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10325	0.3
57.03321	1.5
59.01249	8.5
60.01577	0.4
61.98688	0.4
64.76437	0.3
68.21519	0.4
70.53877	1.3
71.01247	1.1
71.02179	0.4
73.02805	0.7
78.95774	7.7
83.04881	0.4
85.02811	0.7
91.51936	0.3
91.52499	0.4
96.95833	0.4
96.96837	0.8
101.02338	0.4
111.00751	1.3
129.15340	0.3
135.04402	0.4
140.45845	0.4
152.99501	1.1
171.00548	1.0
183.01106	1.3
197.02652	0.8
227.46202	0.4
241.01498	0.4
287.20181	0.4
299.01932	0.4
299.05591	0.6
321.02582	0.4
322.16113	0.4
323.16797	1.0
341.17667	0.7
347.27435	0.4
363.31110	0.4
392.79813	0.5
393.31192	0.4
407.29523	0.8
419.29572	1.1
425.30753	0.7
437.30576	1.9
455.31635	2.2
456.32275	0.4
467.31815	1.0
485.32672	10.2
486.33044	1.6
503.23373	5.1
503.33746	100.0
504.23593	6.3
504.34091	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	503.338
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
57.03327	0.7
59.01238	0.9
60.99151	0.3
71.01243	0.6
73.02814	3.6
85.02816	0.4
105.72542	0.2
197.43275	0.2
375.30493	0.6
377.28613	0.3
455.31821	0.6
473.32709	1.6
485.32620	2.5
486.33386	0.5
503.33759	100.0
504.34143	17.0
504.39786	0.4
519.70752	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	3.2
59.88596	0.8
68.02417	0.8
70.33451	3.2
70.55587	0.7
71.01217	0.9
78.95776	85.7
80.96379	1.1
90.98787	0.7
96.95898	2.6
96.96863	4.5
119.52550	0.8
126.99498	1.5
130.79828	0.8
150.97914	1.2
152.99496	83.8
166.66316	0.8
168.04214	3.1
170.99199	0.6
171.00552	20.2
224.06866	7.3
225.07249	3.8
227.03273	5.4
231.21141	38.5
232.21516	2.8
242.07945	2.3
245.04289	100.0
246.04645	3.3
253.18446	0.8
275.20148	46.7
276.20532	4.1
277.21722	36.6
278.22061	67.2
279.22440	3.2
429.36075	0.9
466.82748	0.8
503.24084	39.1
503.30057	15.4
504.03259	1.0
504.23981	6.6
504.29608	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	503.2515
Annotation	Platanionoside E
Peak:m/z	Relative Intensity
54.88224	1.1
58.02558	1.8
58.02849	22.3
59.01249	9.2
67.19948	1.0
67.50568	1.1
69.78873	7.0
70.83670	1.1
71.01254	2.3
72.00774	1.7
73.03937	5.1
78.95756	2.6
81.42108	1.1
83.01234	1.2
89.02291	1.5
90.64091	1.1
91.05406	5.5
95.04851	1.4
96.04456	1.2
97.03974	1.9
98.02339	2.6
98.19811	1.3
101.02312	1.6
108.08078	1.6
108.85107	1.2
111.05492	1.9
113.07101	49.5
114.05504	5.0
115.05032	7.4
118.06499	2.0
124.49477	1.3
127.63290	1.3
140.07086	3.2
141.10193	1.6
143.11794	1.9
147.04431	17.9
151.08676	1.7
152.07069	6.1
152.99489	3.8
155.11809	2.1
164.07092	10.7
166.12349	1.6
167.04482	1.7
167.11819	9.6
169.09711	3.4
181.09770	2.2
182.08174	2.1
186.12402	1.9
209.12921	4.9
210.12418	2.8
211.10835	3.4
217.13402	21.9
218.13609	1.8
223.10880	1.4
228.58522	1.3
261.12424	63.9
262.12830	4.9
330.21838	2.0
374.20731	1.8
429.24850	3.2
461.23657	1.2
473.24057	41.2
474.24573	6.0
485.17343	2.5
485.24014	25.1
486.24283	3.2
503.25125	100.0
504.25476	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	503.286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01576	0.8
67.91871	0.3
71.01251	1.7
71.21137	0.4
73.02815	0.7
75.00793	0.4
78.95763	0.3
82.68315	0.3
83.04879	0.3
85.02855	1.0
87.00763	0.3
89.02319	0.6
101.02338	1.0
111.00784	1.7
113.02344	0.5
121.02838	0.4
126.99417	0.4
148.60497	0.4
161.04466	0.6
169.39970	0.3
176.34741	0.3
183.01193	2.3
197.02751	1.3
200.73268	0.3
209.02762	0.8
211.13290	0.5
215.12709	0.3
215.58539	0.3
225.11398	0.3
229.65974	0.3
239.08411	0.4
259.07700	0.3
323.16739	2.1
324.17270	0.4
330.46515	0.4
334.70285	0.3
341.17953	0.8
360.51022	0.4
375.00443	0.3
401.25366	1.1
503.23132	11.7
503.34195	1.9
504.23553	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	503.1612
Annotation	fagopyritol A2
Peak:m/z	Relative Intensity
53.27098	1.9
55.39709	1.9
55.45226	1.8
57.03321	2.3
58.00470	3.8
59.01248	87.2
63.11003	2.0
71.01251	89.1
71.57690	2.6
72.01571	2.5
72.99175	4.1
73.02817	8.1
74.11224	2.4
81.69616	2.0
83.01254	3.4
85.02820	14.0
87.00748	25.3
89.02316	97.9
95.01266	4.6
95.52831	2.2
97.02824	3.8
101.02319	61.9
104.97039	2.7
107.03336	2.6
107.52364	2.2
113.02325	37.1
119.03384	15.5
125.02355	3.2
131.03401	6.1
141.01816	2.3
143.03392	11.0
149.04448	5.2
161.04462	22.5
172.71974	2.0
179.05534	100.0
221.06616	64.8
273.31146	2.4
281.08713	4.9
323.06250	2.4
323.09796	7.7
341.11053	4.2
488.88245	2.2
503.16217	59.1
504.16690	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	503.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83324	0.4
57.03331	0.7
59.01250	86.3
60.01589	0.7
71.01259	2.5
71.04895	1.7
71.05496	0.8
72.99181	3.0
73.02821	1.2
75.00746	5.3
85.02824	3.8
87.00737	0.4
89.02342	1.1
96.95892	8.5
100.79530	0.4
101.02351	1.1
111.00761	1.2
115.03896	32.6
116.04236	0.9
117.01812	3.4
129.01855	0.6
133.04961	60.7
134.05289	1.7
147.02924	0.7
161.04453	0.4
173.00819	0.5
175.06036	100.0
176.06346	4.5
191.01884	1.6
295.10300	1.3
388.35971	0.4
436.17548	0.5
497.77515	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	86.9
60.01587	0.9
61.98702	0.6
71.01248	1.0
71.49452	0.9
72.99176	7.3
75.00742	7.6
78.71405	0.5
85.02847	2.3
86.02347	0.9
87.00750	9.1
88.00262	4.0
89.02328	0.7
95.88940	0.6
96.26714	0.5
101.02341	0.6
108.03056	0.4
111.00785	1.1
123.76185	0.4
126.10590	0.5
128.03462	0.5
133.04961	100.0
134.05257	2.5
137.02338	1.0
147.06508	4.7
154.99580	0.4
179.03294	0.5
243.93275	0.5
248.17480	0.4
503.16141	0.6
528.97089	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.154
Annotation	Umbilicaxanthoside A
Peak:m/z	Relative Intensity
57.03308	1.9
59.01258	1.6
60.38058	0.9
69.95941	4.1
76.77235	0.9
78.95781	43.9
89.02336	1.1
96.96837	8.7
97.06471	6.9
101.02329	2.0
123.08046	3.2
125.09618	65.5
143.04631	1.1
143.10674	1.7
152.99489	21.9
153.00717	1.2
153.40582	0.9
156.98708	1.0
163.05969	1.1
163.92770	0.9
169.08661	2.5
187.09689	61.8
188.10052	1.3
209.41928	1.1
241.01151	26.9
259.02151	1.5
315.04929	2.5
323.09006	9.3
341.10114	1.0
503.15344	100.0
504.15918	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	503.1197
Annotation	5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-(6''-acetyl)-galactoside
Peak:m/z	Relative Intensity
59.01239	0.3
59.95690	0.2
60.30004	0.2
63.02279	0.3
64.99933	0.2
65.00227	0.6
69.33595	1.7
72.71935	0.2
75.70586	0.2
76.60616	0.1
80.06420	0.2
84.57073	0.2
93.03316	0.9
107.01279	0.5
109.99970	1.4
117.03309	0.8
133.02805	0.2
133.99982	0.6
136.95903	0.2
136.98720	0.6
137.06390	0.2
149.99428	0.2
151.00221	0.9
155.04907	0.2
159.04369	0.5
161.99507	0.6
163.00327	0.4
165.01865	1.0
167.04926	0.3
169.01396	0.3
169.02786	0.2
171.04419	0.3
173.06029	0.2
182.03636	0.4
183.02809	0.2
183.04416	3.4
184.04767	0.2
185.02377	0.3
187.03917	0.4
193.01418	0.3
197.02576	0.2
199.03857	0.2
200.04709	0.6
210.03200	0.2
211.03941	3.6
212.04558	0.6
223.02203	0.2
223.73712	0.2
226.02730	0.3
227.03447	19.6
228.03984	2.3
239.03458	0.3
240.04266	0.5
241.04936	0.2
243.06522	0.9
254.01961	0.2
255.02968	74.1
256.03479	9.2
257.04105	0.5
269.04504	0.6
271.06149	1.0
283.02466	100.0
284.03146	28.8
285.03665	1.8
298.04819	53.8
299.05569	89.1
300.05936	8.2
341.06601	0.6
461.10733	0.4
503.11954	31.0
504.12271	4.3
526.16925	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.8
60.15889	0.9
61.98704	18.7
64.90760	0.9
65.70882	0.7
71.01263	1.9
78.95777	27.1
82.96407	0.9
85.02827	1.4
95.01244	0.9
110.91713	0.9
113.02317	1.5
122.00011	1.7
140.01108	5.7
141.09192	0.7
149.52570	0.8
152.99525	4.9
161.31339	0.9
174.23503	0.8
196.03754	11.3
207.35471	0.8
212.40938	1.0
214.04874	2.5
229.58414	0.9
253.21664	5.7
255.65558	0.9
277.21719	20.6
279.23196	2.1
305.24872	100.0
306.25159	6.0
335.17496	1.2
370.82056	1.0
445.23636	4.8
454.85797	1.0
502.29419	27.7
503.20297	1.6
503.29095	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	502.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.1
59.98391	0.1
62.96281	0.2
64.68945	0.1
69.28264	0.1
69.28397	0.2
69.29048	0.2
71.01254	0.3
75.70934	0.1
78.95776	23.1
83.04916	0.2
96.96834	0.4
122.98390	0.3
124.56446	0.1
127.07568	0.3
134.98422	0.2
152.99498	3.1
158.61180	0.1
161.71837	0.1
168.04228	3.6
171.00621	0.1
187.52177	0.1
194.05789	0.2
196.45290	0.1
197.10226	0.1
203.02498	0.1
205.19518	0.1
219.32918	0.1
224.06886	10.9
225.07184	0.3
233.22780	0.3
242.07942	2.9
259.20682	0.4
261.18912	0.1
275.20236	0.3
277.21713	100.0
278.22049	7.4
383.69702	0.1
407.58066	0.1
413.21066	0.2
425.80414	0.1
440.35037	0.1
479.49725	0.1
502.29431	20.1
503.29828	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	502.223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	1.4
65.99723	2.2
66.00845	0.8
71.14853	0.6
78.95778	1.8
82.39520	0.5
91.01756	0.6
93.01932	5.6
94.02220	0.6
100.07568	2.4
101.02290	0.7
101.05964	38.5
102.06270	1.2
110.98396	3.8
115.92010	0.6
125.07090	1.3
126.99458	91.9
127.99811	2.2
128.81424	0.6
146.90530	0.7
152.99495	0.8
167.01071	0.6
179.09259	1.2
184.13356	100.0
185.02138	9.7
185.13712	4.7
204.07742	2.6
217.12970	0.7
229.68216	0.8
236.13986	1.4
253.21811	3.4
263.15112	21.4
263.17767	1.3
264.15399	1.2
278.16226	13.9
279.16611	1.6
290.16254	2.8
374.21951	45.5
375.22388	5.5
416.62292	0.8
421.23611	2.9
502.21909	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	502.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22108	0.1
59.01248	0.9
68.79206	0.1
69.25613	0.2
69.26019	1.2
71.01263	0.3
78.95775	7.1
83.04921	0.2
83.68419	0.1
83.74945	0.1
84.15504	0.1
127.07527	0.2
152.99477	0.5
168.04225	1.9
195.19440	0.1
197.11890	0.1
199.45044	0.1
202.52802	0.1
219.13774	0.1
222.59587	0.1
224.06946	1.5
232.58478	0.1
233.22614	0.1
242.07959	3.2
259.20639	0.6
275.20047	0.3
277.21713	100.0
278.22055	6.5
392.17551	0.1
502.29398	5.8
503.29782	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45724	1.6
55.04096	1.6
57.03312	2.3
59.01252	8.5
62.96282	2.1
65.03849	1.9
69.03345	2.3
71.01258	2.4
71.04893	10.6
71.57549	2.2
72.61609	1.6
73.02828	6.6
74.83395	1.7
78.95779	82.4
80.70924	1.7
81.03290	1.7
83.04915	2.3
93.47504	1.6
95.04891	1.9
96.96824	1.8
97.06462	4.9
99.04401	65.8
107.04882	1.8
109.06478	3.7
120.13271	1.5
121.06468	3.5
122.00019	2.8
123.04410	2.1
123.08058	21.6
125.05956	7.5
135.08035	2.1
136.05196	4.5
140.01108	27.1
147.08109	2.8
149.09595	4.8
149.13292	1.7
152.99503	17.7
161.09578	1.7
161.13235	1.8
162.06816	2.1
175.11163	3.1
189.12772	4.6
193.12274	4.9
196.03737	41.4
197.04103	2.1
205.12286	4.3
214.04865	11.8
219.13817	5.8
243.17525	28.7
249.14940	4.3
269.15469	4.8
287.16534	76.1
288.16907	5.0
293.21228	2.7
305.17593	100.0
306.17902	6.6
345.13776	2.3
445.19785	1.8
480.53519	2.1
502.22134	99.1
503.22437	9.9
503.30246	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	502.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.7
61.21152	0.2
62.97260	0.3
65.99726	1.3
69.61787	0.6
69.62202	1.6
74.63869	0.3
78.95781	1.1
91.01788	0.4
101.05962	4.2
108.01909	0.3
110.98418	1.7
125.98194	0.4
126.99458	100.0
127.99810	3.1
150.83289	0.3
176.08220	0.5
177.06625	0.4
185.02144	3.4
190.06065	0.7
192.07722	0.5
204.07707	0.5
205.08557	2.3
216.96979	0.3
217.04968	0.6
232.07204	3.7
233.07996	1.0
236.12885	0.6
246.16167	0.4
253.21754	1.0
260.06592	1.4
262.15616	0.5
274.12125	0.5
274.15500	0.3
289.14346	2.0
290.15082	7.7
291.15463	0.5
317.13760	3.5
318.14536	1.7
400.13647	0.4
421.23688	0.7
474.21973	0.3
486.54327	0.3
502.21149	30.4
503.21414	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	502.221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	7.2
59.59628	1.1
61.10151	1.2
71.04894	9.0
71.58360	2.0
71.75980	1.1
73.02805	3.0
78.95776	27.6
96.37856	1.2
96.95892	3.7
97.06464	3.3
99.04398	44.8
100.04736	1.5
105.63381	1.2
109.06470	3.3
114.22897	1.3
121.06500	3.4
123.08059	13.6
125.05978	6.2
136.05209	2.2
140.01082	8.5
149.09627	6.2
150.43463	1.4
152.99519	6.4
161.09622	1.9
161.13190	2.0
189.12846	2.3
193.12221	3.8
193.95204	1.3
195.13727	1.6
196.03751	3.2
196.14241	1.5
197.33855	1.6
205.12325	2.2
214.04785	10.1
219.13780	4.1
221.15352	1.5
233.19171	1.7
243.17514	23.9
245.09294	1.3
249.14923	2.5
269.15390	2.3
287.16534	60.9
288.16824	4.1
305.17581	100.0
306.18027	6.3
345.13812	2.3
502.22144	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26135	0.4
59.01250	100.0
60.01598	1.3
65.61450	0.5
69.87706	2.9
71.01250	7.8
72.99217	0.5
73.02821	4.9
76.31158	0.5
83.01275	2.1
85.02842	2.0
87.00787	0.9
89.02310	6.5
98.19928	0.6
99.00760	1.0
101.02320	8.0
113.02325	5.1
119.03381	3.3
125.02297	0.5
131.03394	1.0
143.03398	1.5
149.04483	1.4
161.04468	2.9
179.05544	3.5
200.42024	0.4
230.46829	0.5
241.76805	0.5
381.22580	1.2
399.23886	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	502.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59636	0.9
59.01247	3.1
65.99718	2.6
68.02425	1.4
69.88644	0.8
81.03221	1.0
93.01955	4.0
101.05961	4.6
108.01933	1.5
113.05964	100.0
114.06283	2.6
124.07571	2.8
126.99451	30.3
153.06580	2.5
164.08208	1.0
166.09767	63.4
167.10085	2.6
182.09273	21.9
182.10893	1.4
184.13290	7.9
229.53986	1.0
234.06874	13.8
235.07327	1.0
249.82608	1.0
250.15572	1.5
260.14182	1.6
261.07886	1.6
275.15210	2.4
278.15045	13.7
279.14969	0.9
326.29681	0.8
361.13351	2.1
392.73502	0.8
502.21988	9.8
503.22168	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	501.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01577	1.4
71.01254	0.6
71.04107	0.7
78.35883	0.3
80.56203	0.3
88.83160	0.3
102.99408	0.3
161.04468	0.4
169.68443	0.3
212.28296	0.3
221.15469	0.4
229.86192	0.3
297.63568	0.3
380.29233	0.4
385.79996	0.3
399.24286	0.3
476.10046	0.3
528.45630	0.4
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
59.01250	100.0
60.01583	1.1
70.69492	1.0
71.01265	0.7
71.64013	0.3
74.02341	0.5
85.02812	0.3
101.02309	0.3
112.37997	0.3
140.81863	0.3
203.08240	0.6
222.09192	0.7
239.79855	0.3
245.09329	2.3
293.55258	0.3
441.24918	0.4
509.78525	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53942	2.2
57.03341	3.0
59.01248	13.1
59.34812	2.7
69.26814	19.2
69.27226	5.0
70.38542	2.1
71.01263	3.6
73.64536	2.2
78.95789	8.8
85.01879	2.1
93.81164	2.3
96.95943	3.3
99.04408	5.1
101.02322	4.1
110.35132	2.9
112.04742	3.0
113.02375	2.8
119.03408	2.9
119.43185	2.4
121.02847	100.0
122.03156	3.3
125.02335	3.0
131.04915	2.5
279.10214	15.4
283.80334	2.4
297.11349	61.3
298.11649	5.3
314.36002	2.6
340.07648	2.3
439.77203	2.3
501.23663	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	501.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06807	4.8
59.01250	100.0
62.32889	4.3
63.57657	4.8
71.01251	55.0
71.57619	6.0
71.58041	4.7
72.99181	6.3
73.02817	54.8
74.02350	5.8
78.95785	17.6
83.01271	10.5
85.02827	12.0
89.02294	11.4
96.95883	5.4
101.02314	42.1
113.02325	11.7
116.04934	6.5
129.00264	5.0
131.03419	7.8
131.04961	25.8
134.03642	10.2
145.02936	11.0
149.05994	9.6
152.99516	8.6
161.04466	10.0
174.01515	6.5
175.02274	4.4
185.11787	7.4
193.04973	16.0
203.08159	14.0
205.12456	5.3
229.12315	6.3
261.09030	8.1
279.10242	43.8
335.39102	5.8
343.44330	5.1
351.09781	6.9
395.15057	8.0
435.17703	8.0
501.17532	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	501.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12065	0.1
57.03328	0.4
58.02866	0.5
59.01251	100.0
60.01594	0.7
62.59232	0.1
69.47092	0.8
69.47517	0.4
70.02863	0.5
71.01254	2.2
72.04438	0.2
73.02831	0.5
74.02349	3.4
74.02741	0.3
75.00776	0.2
83.01257	0.3
84.04432	0.6
84.16155	0.1
85.02805	1.1
85.65780	0.2
87.00774	0.5
89.02321	1.6
89.26318	0.1
93.03339	0.4
95.01277	0.2
95.26308	0.2
98.02382	0.7
98.19772	0.2
99.00816	0.2
99.04384	0.2
101.02316	1.3
102.96809	0.1
111.00774	3.0
111.46891	0.1
113.02356	0.9
116.03429	1.3
116.04940	1.3
117.66412	0.2
119.03437	0.6
132.89430	0.2
142.06584	0.2
143.03378	0.2
159.09190	0.3
161.04471	0.7
173.00829	0.2
179.05508	0.3
201.10248	0.3
203.08205	3.3
203.09976	0.3
204.08452	0.3
209.11600	0.2
222.09171	2.2
224.96375	0.1
245.09280	12.6
246.09584	1.0
281.63486	0.2
351.13544	1.4
399.23950	0.3
441.19403	0.2
441.24652	0.3
457.17853	0.5
466.16727	0.2
486.58984	0.2
501.21463	0.4
501.30533	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
69.52684	2.2
69.53114	2.8
71.49290	0.7
78.95741	0.9
83.69858	0.6
91.03906	1.7
112.19280	0.8
141.51830	0.7
142.54256	0.7
279.19589	0.9
325.18506	1.8
365.26910	9.0
517.70001	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79374	1.1
54.87677	1.0
59.01249	2.4
69.40460	8.1
71.01252	1.9
72.99176	4.6
75.00735	5.8
78.95789	2.7
85.02828	9.9
96.95891	11.1
96.96851	4.3
98.02354	100.0
98.20653	1.9
98.95493	1.8
99.01884	1.9
99.02707	1.8
111.00764	1.7
115.91956	1.3
133.04959	37.3
133.05984	1.8
134.05310	2.0
148.39777	1.0
155.59863	1.2
172.06078	1.7
172.15967	1.0
175.10837	1.1
191.01935	4.0
209.03024	9.6
272.36023	1.1
383.19562	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	2.7
57.03324	4.1
58.00467	2.0
59.01252	35.0
61.98693	1.0
67.78080	0.9
68.02411	100.0
69.02744	1.1
71.01256	47.9
71.58129	1.2
72.99178	2.3
73.02821	12.7
75.00737	1.6
83.01253	7.0
84.49113	0.8
85.02823	25.9
85.06471	3.3
87.00741	4.7
89.02321	20.2
95.01260	3.0
99.00739	5.4
101.02324	33.0
102.02657	0.9
111.00020	0.9
111.00765	2.5
113.02332	18.0
114.02619	1.0
119.03410	7.0
124.05031	1.2
125.02319	1.1
129.01874	1.2
133.02931	1.0
133.04947	1.1
139.00314	0.9
143.03429	3.0
154.98880	2.0
155.30394	0.9
158.23506	0.9
159.02924	4.5
161.04463	27.1
162.04900	1.1
179.05521	1.4
187.09752	1.0
191.01929	2.0
201.11348	1.2
205.03479	1.1
221.07362	6.4
239.08286	1.0
269.09558	3.9
269.12067	0.8
277.12933	22.6
278.13309	1.2
278.63724	0.8
323.10654	1.3
338.12750	3.6
339.13245	1.3
399.12051	2.4
413.13754	11.4
414.14139	1.3
431.14755	30.6
432.15179	4.3
500.17975	10.8
501.18063	1.4
501.30548	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	499.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99123	0.8
54.16212	0.8
56.67885	0.9
59.01249	100.0
60.01574	1.3
71.56895	1.2
84.50536	0.9
91.03882	2.8
97.84051	0.9
109.47289	0.8
109.58484	0.8
114.56435	0.8
115.18765	0.9
165.38266	0.9
183.01102	1.7
325.18359	3.6
347.25876	1.7
365.26962	6.6
385.44266	0.9
440.09589	1.1
456.13016	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3065
Annotation	6alpha-Hydroxylup-20(29)-en-3-oxo-27,28-dioic acid
Peak:m/z	Relative Intensity
55.01133	0.4
57.03320	0.9
59.01253	2.9
61.98699	0.4
69.77353	0.9
69.77766	1.4
71.01254	1.2
71.04844	0.4
71.90916	0.4
73.02818	0.5
77.42873	0.4
83.04903	4.9
85.02834	0.6
85.06462	0.5
98.19715	0.4
101.02322	0.7
109.06480	1.0
130.81145	0.4
247.40878	0.4
329.21262	0.5
351.26898	1.0
365.28528	0.7
371.26010	0.9
381.31561	0.9
393.23212	0.4
393.31598	5.6
394.32104	0.9
407.29703	1.6
409.30783	0.6
411.32813	0.4
425.30432	2.5
437.30627	4.9
438.30841	0.5
455.31631	32.0
456.32062	4.8
457.27814	0.7
481.29727	4.4
482.29669	0.8
499.30655	100.0
500.31015	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	499.292
Annotation	Tricalysioside T
Peak:m/z	Relative Intensity
57.03310	1.5
58.00465	1.4
59.01254	53.8
64.71243	1.0
66.00883	0.9
69.03333	1.4
71.01259	31.8
71.58091	1.1
71.58456	1.3
72.99172	2.9
73.02826	23.5
78.95779	2.2
83.01261	5.8
85.02835	7.2
87.00747	5.0
88.64482	0.9
89.02330	7.1
93.72063	0.9
95.01284	2.1
97.02863	1.2
99.00783	1.2
101.02328	19.6
113.02348	8.6
119.03471	1.1
125.02352	1.0
152.99495	4.1
223.17018	4.7
277.21692	14.6
278.22104	1.2
295.22821	7.3
309.20700	1.1
439.26987	15.6
440.27374	2.6
457.28024	33.4
458.28122	4.2
482.26517	1.0
499.29156	100.0
500.29492	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	499.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56435	37.4
56.98705	34.8
59.01245	86.5
71.72937	38.0
78.95784	95.7
152.99458	93.9
242.93156	38.9
255.23212	46.5
256.23663	38.7
277.21619	100.0
291.23160	98.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.5
57.03315	3.3
58.00469	4.1
59.01250	100.0
60.01589	1.1
61.98727	0.7
70.21684	2.5
71.01254	74.9
72.99183	6.9
73.02802	3.7
75.00735	1.2
78.95795	1.6
83.01245	4.6
84.25171	0.6
85.02826	20.2
85.03349	1.0
86.03210	0.8
87.00745	4.0
89.02317	80.2
90.02711	0.9
93.03327	1.4
95.01270	3.8
96.95905	1.9
97.02824	1.1
98.20293	1.5
99.00758	1.9
101.02322	45.8
105.44022	0.8
111.00761	9.5
113.02328	30.9
114.02656	0.8
119.03389	37.9
120.03745	1.0
125.02361	1.3
128.03418	0.8
129.01836	0.7
130.08649	2.6
131.03366	4.0
133.04959	1.9
134.03661	1.0
135.02931	0.7
135.72073	0.7
139.51312	0.7
143.03395	7.1
147.02913	0.8
149.04489	3.3
154.99780	1.1
161.04469	7.5
161.87794	0.6
163.11234	0.8
163.44145	0.7
171.10214	2.4
173.00850	2.2
178.02519	0.7
179.05524	14.1
179.06970	1.2
191.01984	1.4
209.11794	0.8
247.11838	0.7
247.67009	0.8
253.17261	0.7
258.42224	0.7
286.33939	0.8
331.23987	1.9
499.29648	11.7
500.24075	1.1
500.30255	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10680	6.0
51.63897	6.4
58.82454	6.4
59.01254	100.0
68.02391	8.5
70.74178	6.4
71.01250	11.9
78.95779	12.3
83.04949	6.9
113.02351	11.4
123.39871	8.1
141.55527	6.5
149.65742	7.4
183.01144	12.8
197.02766	37.3
254.29605	6.7
277.21680	83.5
278.22156	9.4
291.23331	16.4
292.23428	7.0
297.22733	7.4
325.18390	97.6
326.18817	15.3
391.94196	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	499.2678
Annotation	Kadcoccilactone E
Peak:m/z	Relative Intensity
59.01249	94.3
60.01567	0.9
68.02376	1.0
70.43776	0.9
78.95773	28.8
89.02428	0.7
89.05035	0.8
96.96847	2.9
98.19717	1.3
143.04512	1.2
152.99487	55.0
153.99825	1.0
171.00581	4.1
197.02611	2.0
209.11780	1.3
227.03218	11.5
245.04283	8.0
271.22778	100.0
272.23102	10.5
311.16769	1.4
325.18292	3.6
499.26733	81.6
500.27094	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	499.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96002	0.7
56.81505	0.7
57.03334	4.5
59.01253	2.7
71.01257	100.0
71.04907	1.6
71.57754	1.4
72.01589	0.9
72.99184	25.3
78.95784	2.6
80.96181	0.7
85.02842	3.3
87.00764	2.0
89.02328	0.9
91.03901	1.3
93.14867	0.8
96.96873	1.4
96.99216	1.4
97.06466	1.0
99.04418	2.2
100.37292	0.8
101.02335	1.5
113.02329	0.9
115.00261	15.9
121.02864	0.8
125.02375	1.2
125.09605	0.7
129.43340	0.7
130.73637	0.7
137.02393	0.8
137.09613	1.1
152.99452	4.0
160.95563	1.0
171.10184	1.9
179.20856	0.7
185.11775	0.9
191.01958	2.6
193.06534	19.1
194.06883	1.5
223.47308	0.8
235.04951	0.8
251.16487	2.2
291.19641	7.7
309.20728	19.0
310.21188	1.6
363.21783	1.2
383.24258	1.2
407.20673	1.8
481.24448	14.9
482.24731	1.7
499.25162	10.9
500.26608	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81629	0.5
55.01768	0.7
59.01250	4.5
62.15901	0.5
65.41476	0.5
69.03314	1.1
69.86353	3.0
71.01256	100.0
71.04897	1.8
72.01600	1.2
72.99181	26.1
75.00743	4.0
78.95770	2.9
82.59040	0.7
85.02833	4.4
87.00767	4.0
89.02308	1.6
91.03880	1.4
93.34997	0.5
95.01274	1.1
96.96856	1.3
96.99189	1.4
97.06515	1.0
98.19828	1.2
99.00745	2.9
113.02338	5.3
115.00259	13.2
121.02831	2.9
125.09607	1.2
130.27292	0.6
135.03210	0.6
137.09615	0.6
150.57362	0.6
152.99512	2.4
171.10208	2.7
175.02365	0.9
185.11794	1.1
189.32579	0.5
195.99838	0.6
205.16168	0.6
231.13913	1.2
249.06233	0.8
249.15018	4.2
251.16537	3.1
267.07205	1.1
291.19659	7.8
305.17621	0.7
309.20700	16.9
310.20987	1.5
345.20905	1.0
383.24539	1.4
401.08780	1.2
429.05008	1.0
455.03000	3.8
481.24472	17.2
482.24881	1.5
489.31262	0.7
499.22046	8.8
499.26147	6.3
500.21814	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88717	0.6
59.01247	1.0
63.31635	0.5
65.27151	0.5
65.78568	0.5
69.28839	0.5
71.01255	100.0
71.04910	0.5
71.18987	1.3
72.01597	1.1
72.99182	13.6
75.00713	0.5
78.95793	0.7
79.44897	0.6
81.84486	0.5
87.00768	0.7
91.03889	2.6
96.38751	0.5
96.99169	0.6
99.00708	0.5
115.00262	13.2
133.01390	1.3
152.99538	1.0
165.86044	0.6
195.13873	0.8
207.17560	0.8
223.16978	3.0
233.15446	2.4
251.16496	20.9
251.18976	1.2
261.18597	0.6
291.19592	3.0
309.20682	15.6
310.21252	0.8
325.20212	6.0
383.24478	1.4
407.20755	0.7
481.24448	5.8
499.25360	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	499.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01746	0.5
59.01245	2.3
60.73093	0.6
70.09667	0.6
70.15416	2.6
71.01254	100.0
72.01578	1.0
72.99182	16.9
78.95779	1.2
87.00733	1.2
90.58922	0.5
91.03911	2.7
96.99186	0.6
97.02861	0.6
97.64213	0.6
115.00255	15.7
116.14228	0.5
133.01317	3.1
140.27692	0.5
152.99492	1.8
163.30701	0.5
166.91371	0.6
171.10164	0.6
195.13777	1.0
207.17450	1.0
223.17058	3.9
233.15463	3.1
248.84047	0.6
249.65103	0.6
251.16508	22.6
252.16798	1.2
291.19638	3.5
309.20694	16.0
310.21136	1.0
325.20169	5.9
337.78192	0.6
383.24265	1.0
407.20578	0.6
481.24438	6.4
482.24930	0.7
499.24951	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	499.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20697	1.0
59.01244	3.7
63.88631	1.0
71.01254	100.0
71.58224	1.8
72.01583	1.3
72.99174	12.0
73.02793	1.2
78.95780	3.2
81.98543	1.2
83.49288	1.1
85.67231	1.0
89.02325	1.3
91.03888	2.6
101.02367	1.2
113.02321	1.6
115.00266	13.3
152.99533	3.6
161.11330	1.1
192.56148	1.3
223.17056	2.9
233.15378	2.6
251.16508	24.0
271.22760	1.5
291.19638	2.5
309.20773	13.9
325.20233	3.5
481.24295	4.5
499.25314	2.9
508.63931	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	499.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23085	0.2
59.01250	100.0
60.01585	1.3
64.97952	0.2
65.98699	0.2
69.03329	0.2
69.55048	0.4
69.55455	1.6
71.01257	3.2
72.99168	0.4
73.02816	5.3
77.20409	0.2
83.01258	1.6
85.02814	0.4
89.02319	1.1
101.02322	5.5
113.02335	1.9
119.03410	0.5
125.02367	0.3
126.99484	0.3
131.03371	0.7
131.96915	0.3
143.03403	0.6
149.04504	0.7
155.03444	0.4
161.04434	1.3
217.15950	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	499.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00175	0.4
55.01755	2.7
57.03040	0.7
57.03321	12.7
58.00423	0.5
59.01252	6.2
68.32840	0.3
68.99696	0.7
71.01253	2.4
71.04088	1.0
72.99184	1.3
73.02790	0.6
75.00748	1.0
83.01255	2.6
84.02032	2.9
85.02821	100.0
86.03140	2.2
87.00751	1.2
89.02314	0.4
101.02321	0.7
103.00268	1.2
111.00755	4.6
115.00254	0.6
129.01828	10.3
129.02754	0.6
133.02867	0.7
134.03615	1.4
135.04411	0.7
138.25658	0.3
147.02885	15.2
148.03214	0.8
163.85478	0.3
173.00844	2.1
173.30042	0.4
177.01816	0.4
178.02667	1.5
191.01898	34.9
192.02234	1.5
209.02998	0.6
220.24631	0.4
224.30029	0.4
307.12027	0.5
321.20905	0.3
345.57306	0.4
406.46381	0.5
499.14316	0.8
515.97577	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.4
57.03324	14.5
59.01247	5.9
59.90447	0.2
68.99689	0.5
69.28837	1.3
69.29272	1.5
69.83252	0.3
71.01258	2.8
72.99170	1.2
73.02831	0.5
75.00748	1.8
83.01273	2.4
84.02045	2.2
85.02822	100.0
86.03152	2.2
87.00759	0.7
88.32022	0.3
98.96131	0.3
99.00753	0.3
101.02311	0.6
103.00237	1.9
111.00762	3.9
115.00249	0.5
120.08077	0.4
122.06023	0.4
129.01828	9.5
134.03629	4.0
147.02892	13.8
173.00858	1.6
178.02611	0.5
191.01904	28.2
192.02271	1.0
195.58337	0.3
220.41524	0.3
226.12367	0.3
270.11234	0.4
279.52209	0.3
307.11935	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.3
57.03324	12.4
59.01252	7.1
61.98696	0.9
68.02385	0.5
68.99692	1.0
70.21052	1.3
71.01250	6.2
72.99181	2.4
73.02819	1.0
75.00742	2.7
83.01254	3.5
83.13793	0.4
84.02023	2.8
85.02821	100.0
86.03154	1.9
87.00750	1.7
89.02323	1.6
95.01303	0.4
95.60516	0.4
96.95864	0.6
97.19563	0.4
98.19832	0.5
99.00770	0.5
101.02312	1.8
101.10867	0.5
103.00249	1.7
104.11761	0.4
111.00764	7.7
113.02268	0.4
115.00256	1.1
119.03349	0.6
129.01836	8.6
133.01302	0.7
133.02840	0.9
134.03633	2.4
134.94289	0.4
135.04393	1.1
143.03421	0.5
145.01297	0.5
147.02893	13.4
154.99811	0.6
170.80304	0.4
173.00858	3.2
177.01811	0.7
178.02606	2.0
191.01900	35.4
192.02313	0.7
209.02950	2.7
273.48703	0.4
275.09253	0.7
320.00992	0.5
442.47626	0.4
499.14450	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78950	1.5
57.03332	2.4
59.01250	3.4
61.45709	1.4
62.89833	1.4
69.66287	10.1
71.01237	3.3
72.99191	6.8
74.48849	1.3
75.00742	7.9
78.95775	18.5
79.95621	2.2
85.02824	20.8
88.69160	1.4
91.53754	1.6
95.32844	1.6
96.95890	100.0
96.96822	30.3
98.02354	79.1
111.00767	7.8
133.04965	54.7
133.05974	2.8
134.05296	2.5
147.02864	2.9
173.00879	2.5
188.07936	1.6
191.01851	8.7
209.02937	6.6
352.67209	1.9
353.55460	1.7
404.61536	1.6
421.73553	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	499.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15395	1.0
62.85053	0.9
64.41200	1.1
67.01763	2.8
69.81861	1.6
69.82272	5.2
72.99194	4.5
83.01266	3.8
85.02825	28.3
96.95908	3.5
98.19794	2.2
101.02296	1.9
111.00764	100.0
112.01089	2.1
119.04918	2.4
129.01799	8.0
130.85706	1.1
147.02898	1.4
154.99765	13.0
156.42252	1.1
173.00833	54.6
174.01158	2.1
191.01884	4.4
209.03017	3.1
237.20357	1.1
313.62659	1.0
353.54611	1.4
464.24472	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	498.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00195	1.3
58.02851	1.3
59.01251	1.4
71.57969	2.7
73.03946	18.5
74.02348	45.5
81.53465	1.3
82.06485	1.8
87.05521	4.6
112.02660	1.8
118.04970	4.8
126.09129	4.0
130.08621	3.1
141.10208	3.5
143.11806	23.5
152.07121	7.1
152.99435	1.4
153.10303	3.6
156.91049	1.3
165.10278	2.1
169.09761	10.6
169.13376	3.6
187.10867	7.7
200.13979	47.2
201.14204	1.6
209.18921	1.5
226.15503	2.9
226.21718	36.9
227.22144	2.4
270.20679	5.1
283.23886	18.9
379.29614	3.3
384.44638	1.5
397.30756	6.4
410.33810	2.3
454.32867	100.0
455.33243	10.6
480.34085	1.8
498.35501	39.1
499.35739	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	498.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00462	0.2
59.01251	35.1
60.01578	0.5
63.12318	0.2
66.49290	0.2
68.02410	4.9
69.03340	0.2
69.54946	1.4
71.01252	8.7
72.01572	0.2
72.99199	0.4
73.02818	9.8
75.00734	0.3
78.95778	0.3
79.65176	0.2
83.01258	2.0
83.52362	0.2
85.02824	1.5
87.00744	0.3
89.02316	1.8
91.01781	0.4
93.03324	0.2
97.02837	0.2
98.19846	0.4
101.02322	7.2
113.02325	3.3
119.03409	0.7
124.07600	0.2
125.02325	0.5
126.99458	100.0
127.99799	2.9
130.85883	0.2
131.03394	0.5
131.14946	0.2
143.03375	0.4
149.04488	0.3
155.03383	0.2
161.04387	0.9
166.09772	8.5
209.27362	0.2
322.58374	0.2
326.38574	0.2
330.23602	0.6
346.08319	0.2
411.02802	0.2
498.25323	0.3
500.70538	0.2
509.38275	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62688	0.2
59.01245	1.7
59.13161	0.2
71.01286	0.8
71.57633	0.3
73.02845	0.4
75.00785	0.3
78.95799	0.6
79.38165	0.2
80.96444	0.2
82.08375	0.2
83.92779	0.2
84.06781	0.2
85.02856	0.9
93.03332	17.7
93.48160	0.3
94.03719	0.4
94.32887	0.2
96.95934	0.3
99.00790	0.3
101.02324	0.2
107.01377	0.2
107.04906	0.3
116.97094	0.2
137.34526	0.2
171.10143	0.3
175.61194	0.2
181.12321	0.2
196.07613	0.3
199.13391	0.5
200.10797	0.9
202.85857	0.2
209.08397	0.2
209.11784	0.2
210.09151	1.8
212.10735	1.8
222.09221	0.5
224.10773	1.8
225.11238	0.4
288.10291	0.5
302.12100	0.4
304.13431	0.9
306.14978	2.8
307.15311	0.3
316.13452	1.3
318.14960	3.2
330.23541	0.6
348.19009	0.2
374.17783	0.3
379.17969	0.3
392.18616	1.4
410.17697	0.4
412.19144	100.0
413.19498	15.9
413.23849	0.2
439.19937	0.3
498.22818	37.7
499.23126	7.4
499.30243	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2885
Annotation	Sodwanone G
Peak:m/z	Relative Intensity
56.63943	1.8
57.03944	1.6
70.90882	4.3
70.91211	2.1
75.87503	1.9
78.95779	14.0
109.45973	1.6
147.47427	2.1
152.99483	19.6
209.51511	1.7
227.03297	2.9
255.23375	2.4
269.24854	100.0
270.25183	7.8
465.22366	2.0
497.28842	36.2
498.29327	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	498.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.7
56.02164	0.3
57.03343	0.5
58.00466	1.0
59.01250	100.0
60.01580	1.3
62.24494	0.3
68.02412	8.7
69.03327	1.5
71.01251	30.9
72.99182	1.0
73.02817	38.4
74.03145	0.7
75.00747	2.3
81.03304	0.7
83.01256	9.3
85.02825	3.2
87.00728	0.8
89.02312	5.2
95.01246	1.0
97.02831	0.4
99.00780	0.7
101.02319	27.4
102.02629	0.6
103.68645	0.3
113.02327	9.9
117.01775	0.3
119.03400	1.8
125.02268	1.1
126.99454	10.9
127.99810	0.4
131.03368	2.3
143.03319	1.1
149.04396	0.9
155.03346	0.9
161.04448	2.6
166.09723	1.6
203.05305	0.3
230.11539	0.3
230.13689	0.4
296.19089	0.3
303.38239	0.3
330.23383	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59602	0.5
54.00189	0.4
54.46500	0.5
55.01773	1.2
56.63506	0.5
56.86430	0.6
57.03311	0.9
57.16603	0.5
58.00473	1.0
58.36472	0.5
58.62529	0.5
59.01252	45.7
71.01254	26.7
72.99176	1.8
73.02821	20.4
78.95778	2.2
82.89828	0.5
83.01264	5.2
85.02834	4.9
87.00749	2.5
88.45991	0.5
89.02316	5.7
95.01262	1.1
97.02781	0.6
99.00755	1.6
101.02322	18.0
101.02995	0.9
109.15273	0.5
111.07996	0.8
113.02333	7.1
119.03378	1.3
125.02325	1.0
128.83224	0.5
143.03404	0.9
152.99464	0.8
161.04442	1.5
179.14331	1.2
195.13847	1.0
209.11722	1.0
223.13371	1.4
269.21246	1.9
275.20129	9.7
276.20526	0.9
277.21646	1.9
293.21219	26.4
294.21619	2.9
437.25391	7.0
438.25940	0.9
443.56509	0.6
455.26526	15.1
456.26776	1.6
497.27567	100.0
498.27924	19.3
498.35257	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2756
Annotation	Simplexin I
Peak:m/z	Relative Intensity
55.01745	0.8
57.03307	1.0
58.00456	1.0
59.01252	44.3
60.01585	0.3
69.03313	1.0
70.25826	0.3
70.27620	0.3
71.01256	23.6
72.99174	1.5
73.02818	22.0
74.03144	0.4
78.95763	0.6
81.19778	0.3
83.01258	5.9
84.65930	0.4
85.02819	5.1
87.00741	2.2
89.02312	5.6
95.01273	1.2
95.04890	0.5
97.02831	0.4
99.00738	0.8
101.02325	17.9
102.97816	0.3
111.08061	0.5
113.02316	6.0
119.03378	1.6
125.02358	0.7
131.03354	0.6
143.03426	0.6
152.99509	0.5
155.03369	0.4
161.04474	1.4
171.10229	0.5
179.14325	0.9
181.12233	0.5
183.13829	0.5
195.13953	0.5
205.15907	0.6
209.11855	0.4
211.13295	0.4
223.13388	2.0
231.21149	0.7
249.22313	0.4
269.21185	0.5
275.20160	8.4
276.20483	0.5
277.21793	2.6
293.21219	23.9
294.21588	2.0
437.25403	6.9
438.25864	0.9
455.26501	14.6
456.26819	2.1
467.76804	0.5
497.27557	100.0
498.27921	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	497.2526
Annotation	12,13-Deoxyroridin E
Peak:m/z	Relative Intensity
59.01250	1.6
69.41092	2.8
69.41521	5.3
71.01259	1.7
75.80512	0.8
78.95784	20.7
96.96857	1.5
97.06433	1.2
99.04429	1.7
99.08022	6.8
102.05500	0.9
110.98409	9.2
125.09645	1.9
127.11195	4.5
139.11215	3.1
152.99504	14.5
158.70244	0.9
167.01048	4.6
167.14343	2.3
170.60736	1.0
171.10199	11.2
183.13850	8.2
185.02132	8.5
185.11739	1.2
193.12428	2.3
199.13303	1.3
209.11815	2.2
211.13351	43.7
212.13742	2.1
223.13426	1.3
229.14403	26.9
230.14738	1.2
269.17831	1.0
293.21378	3.1
311.22186	1.7
329.23343	100.0
330.23706	5.4
435.18140	1.0
448.20932	2.0
497.25412	62.7
498.25562	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	497.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.7
60.51606	0.6
65.03832	6.9
66.93494	0.6
70.08388	2.7
71.01257	100.0
71.04891	5.5
72.99184	23.6
78.95774	0.9
87.00768	1.9
97.06474	11.6
107.04919	0.9
115.00275	12.3
119.04934	0.9
121.06496	10.7
123.08064	0.7
125.09610	6.3
135.04404	0.6
135.08090	0.7
140.12581	0.6
152.99524	0.9
185.11766	16.0
191.10683	0.7
209.11790	6.2
210.96793	0.7
211.13351	6.1
217.12242	0.8
217.62518	0.6
233.15370	0.7
235.13359	12.7
236.13875	0.7
289.14905	0.9
289.18137	5.0
304.35352	0.8
307.19162	28.2
308.19565	2.3
309.17093	7.5
343.18857	0.9
361.20233	1.1
363.21872	0.7
381.22870	1.4
479.22928	9.4
480.23248	1.3
486.57581	0.7
497.23737	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	497.2525
Annotation	12,13-Deoxyroridin E
Peak:m/z	Relative Intensity
59.01248	9.3
60.99157	2.9
68.50149	1.1
68.69613	1.1
69.03327	3.5
71.01257	1.3
71.04896	2.7
71.57584	1.8
78.95773	51.6
83.04883	1.5
85.02823	11.2
86.40571	1.2
88.23069	1.1
96.96832	5.2
125.09608	1.6
150.97978	1.8
152.99487	74.4
160.45003	1.3
171.00517	19.3
171.98241	1.4
175.54283	1.4
183.17429	8.3
187.09592	1.6
187.48152	1.2
197.19040	6.2
205.19489	3.2
213.11177	1.1
221.19057	3.6
223.20551	3.2
225.22198	9.7
227.03181	4.5
233.11642	1.4
245.04272	100.0
246.04588	3.1
251.20221	2.6
269.21191	55.3
270.21515	5.3
311.07950	1.6
377.09207	1.3
378.89725	1.4
479.24301	1.5
497.25116	78.0
498.25586	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	497.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	2.7
62.01646	1.1
62.01974	1.3
65.03832	5.3
66.00788	1.2
69.55431	9.9
71.01257	100.0
71.04895	2.4
72.01612	1.4
72.99189	23.2
78.95794	4.5
87.00754	1.9
96.99247	1.7
97.06462	9.2
98.45709	1.2
115.00259	14.6
121.06485	10.8
125.09629	5.6
137.17690	1.5
143.03796	1.2
150.25549	1.3
152.99490	3.2
157.07553	1.3
158.07953	1.4
185.11746	11.7
209.11726	3.6
211.13332	5.7
235.13347	11.4
289.18097	4.4
289.21625	1.2
307.19125	22.7
309.17108	7.0
346.62302	1.4
469.36670	1.4
479.22955	9.5
479.29037	2.2
497.23480	4.0
497.29819	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	497.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.4
58.02845	0.5
59.01252	0.6
61.98703	0.6
71.01262	0.9
71.56393	0.4
72.99178	0.6
75.00745	0.3
77.55807	0.4
78.95776	0.6
79.05541	0.3
82.02851	1.1
84.04423	5.1
85.02823	2.9
87.00779	0.4
89.02317	0.4
93.03334	100.0
94.03664	3.2
96.95891	0.6
101.02322	0.4
102.05480	1.3
111.00751	0.5
116.03400	0.5
118.02872	3.8
121.02881	0.3
128.03430	4.4
128.10722	0.4
129.01826	0.3
135.04445	0.4
136.03929	8.3
137.02339	0.5
137.04335	0.3
141.10226	0.8
147.02975	0.3
148.03987	0.5
154.12164	0.4
160.07562	1.4
162.05544	2.3
167.11836	1.7
168.10226	0.3
169.13393	1.0
171.14961	4.0
173.00790	0.7
186.05540	0.7
188.03439	0.7
188.10764	0.5
191.01894	1.0
195.11299	0.8
197.12888	15.2
198.11363	3.1
198.13121	0.7
202.44537	0.3
204.06595	0.5
209.02968	1.8
215.13948	15.4
216.14186	0.5
241.11882	2.5
273.16043	0.6
291.17142	30.1
292.17532	2.3
298.90704	0.3
317.15048	10.1
318.15280	0.9
335.16110	42.9
335.71414	0.3
336.16483	3.9
377.17114	0.9
380.72205	0.3
460.09760	0.4
497.21384	57.8
498.21689	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	496.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77130	0.3
58.25090	0.2
71.58183	0.3
78.90900	0.2
78.95779	25.3
84.57082	0.2
92.18745	0.2
96.96808	1.6
107.62370	0.2
127.89675	0.2
150.97980	0.5
152.99498	17.5
153.99898	0.4
154.59764	0.3
171.00554	0.5
184.03732	1.4
192.27042	0.2
195.22101	0.2
238.22557	0.3
240.06392	6.3
255.23279	100.0
256.23624	6.9
258.07477	1.6
321.63641	0.2
369.75677	0.2
391.22565	0.4
409.23575	3.7
410.23984	0.4
421.23633	0.3
496.30499	33.4
497.30771	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	496.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
69.74139	0.6
71.57758	1.3
77.86472	0.7
78.95779	63.8
80.04261	0.7
92.82838	0.8
96.96848	7.4
107.43997	0.6
108.74940	0.7
150.97981	1.5
152.99495	100.0
153.99799	0.9
171.00604	1.3
255.23318	4.2
409.23605	38.2
410.24121	2.2
433.15732	0.8
496.26682	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	496.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
69.74139	0.6
71.57758	1.3
77.86472	0.7
78.95779	63.8
80.04261	0.7
92.82838	0.8
96.96848	7.4
107.43997	0.6
108.74940	0.7
150.97981	1.5
152.99495	100.0
153.99799	0.9
171.00604	1.3
255.23318	4.2
409.23605	38.2
410.24121	2.2
433.15732	0.8
496.26682	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	496.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.3
59.01250	2.2
61.98702	100.0
66.10049	0.2
70.03226	0.9
71.01257	1.1
72.99164	0.2
73.02842	0.2
78.95776	0.4
83.01257	0.3
83.71805	0.2
85.02815	1.4
89.02322	1.2
96.95901	0.3
98.19831	0.3
101.02322	1.1
111.00784	0.7
113.02299	0.5
119.03391	0.3
143.03442	0.3
152.99571	0.3
161.04562	0.3
169.12224	0.6
170.12663	0.7
171.10289	0.3
173.00864	0.3
179.05511	0.3
183.11630	0.2
191.01892	0.5
260.39935	0.2
261.67508	0.2
269.07806	0.2
314.99857	0.3
316.00027	0.8
316.99457	0.2
337.84592	0.2
406.21954	0.3
436.25516	0.3
487.74240	0.2
496.06604	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59740	2.0
57.03296	3.2
59.01251	41.2
61.98711	2.9
65.03825	2.6
68.02397	7.0
69.03319	4.5
71.01258	4.8
71.04901	2.9
71.28909	3.8
71.29242	2.4
73.02838	2.5
78.95775	7.6
79.95602	3.0
83.04873	11.1
85.02824	3.3
85.06468	5.6
86.66833	2.0
89.77549	1.8
91.05472	2.4
93.03332	1.8
97.06453	5.2
101.02368	2.7
107.08524	3.4
109.06479	4.9
111.08034	7.8
119.04893	2.5
123.08046	3.6
124.01186	1.8
125.09602	22.3
129.09094	2.2
134.21451	2.0
137.09579	3.0
152.99506	6.5
163.11179	4.1
166.09782	2.4
171.10188	27.0
178.66620	1.9
183.13849	3.1
185.11781	3.2
187.14876	3.4
189.16379	4.3
205.15961	8.8
207.13858	2.1
209.11758	12.6
211.00310	1.8
211.13332	25.8
215.14517	9.3
215.83360	1.8
221.15414	5.9
231.13882	5.9
233.15421	100.0
234.15715	10.0
247.13374	2.0
249.14914	28.3
250.15292	2.7
251.16533	5.7
273.18356	2.1
331.18973	2.2
331.26395	5.9
341.24826	7.8
357.24582	2.7
359.25781	3.9
366.76837	1.8
367.22653	3.5
375.25299	6.0
377.27112	2.5
385.23849	30.9
386.24292	4.2
393.26434	6.1
403.24893	72.2
404.25327	12.0
421.25967	58.7
422.26251	8.1
477.28580	96.7
478.29025	19.3
495.29669	99.9
496.30035	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	2.4
59.01247	10.8
64.95068	2.0
65.03832	3.8
78.95759	11.7
80.96178	2.2
83.04905	11.8
85.06464	3.0
97.06475	6.8
102.22923	2.0
109.06488	4.3
111.08067	5.8
119.04886	3.9
125.09609	16.5
131.24069	2.1
132.37064	2.3
152.99530	14.7
171.10199	38.1
185.11736	3.2
186.01270	2.3
187.14859	3.0
189.16528	3.7
205.15919	9.1
207.13832	3.7
209.11757	4.5
211.13358	14.3
215.14442	5.5
221.15367	3.9
231.13803	5.9
233.15431	80.6
234.15851	4.9
237.86877	2.3
249.14935	28.7
251.16411	4.7
331.26462	4.6
341.24881	5.7
359.25830	2.5
367.22659	4.9
375.25241	3.0
377.27145	4.1
385.23834	25.9
393.26514	3.3
399.67856	2.5
403.24881	76.3
404.25266	9.0
421.25970	74.0
422.26450	8.6
437.24634	3.4
477.28577	70.4
478.28961	9.5
495.29630	100.0
496.29922	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20673	1.3
59.01239	2.3
71.01221	1.9
71.58344	2.9
72.00780	9.4
72.01124	1.7
74.02348	7.3
78.95795	8.3
82.39383	1.5
82.44154	1.6
116.04963	35.5
130.06572	8.4
131.03630	2.3
142.06525	44.3
152.99474	5.8
157.07631	100.0
158.07973	3.3
159.09178	14.4
173.07126	2.5
180.08099	1.8
186.05565	4.8
192.08199	2.1
203.08197	62.7
233.15508	3.2
241.77263	1.8
275.20270	3.1
324.21619	3.1
419.23184	2.2
437.24454	96.0
438.24692	8.7
477.27591	55.6
478.27661	5.7
495.28683	58.1
496.29086	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	495.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76224	1.4
57.03329	2.5
57.81343	1.3
59.01272	5.0
69.03349	2.5
69.25465	1.2
69.93906	1.4
71.01271	2.7
71.36825	2.2
78.95783	35.4
83.04937	1.9
85.02821	11.6
88.83759	1.2
89.02333	1.7
96.95921	3.3
96.96877	3.3
97.06480	4.5
102.85844	1.2
106.40215	1.4
107.04940	3.7
108.05321	1.3
109.76131	1.3
109.89658	1.3
110.98421	11.0
115.54960	1.2
121.02882	5.6
122.03246	1.6
123.04427	1.3
127.11216	2.5
134.50877	1.3
134.73035	1.3
135.04453	8.4
136.04793	3.8
137.01068	1.1
137.09679	3.6
137.72955	1.3
149.02393	1.7
152.99512	16.4
165.05544	2.4
166.05888	1.6
167.01106	5.8
167.14403	1.5
171.10184	27.7
177.12814	1.5
183.13942	5.5
185.02112	8.2
192.41335	1.4
197.11816	1.7
201.11230	1.5
209.11864	1.6
211.13345	23.1
221.11928	4.2
227.12907	1.4
229.14394	15.0
230.14766	1.8
239.13074	2.0
240.34120	1.9
249.15047	1.3
260.14178	1.7
261.15128	4.1
287.66953	1.5
288.13855	3.6
289.14651	4.1
291.19858	5.0
324.90326	1.5
327.21750	100.0
328.22314	5.5
495.23941	62.5
496.24136	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2236
Annotation	Glaucarubin
Peak:m/z	Relative Intensity
57.03313	2.5
58.00463	2.6
59.01253	65.0
62.16404	0.7
69.35423	1.3
69.35838	5.1
71.01257	39.6
72.07381	0.7
72.99207	3.6
73.02806	4.1
73.27041	0.6
78.95753	1.3
83.01257	4.6
85.02825	10.5
87.00743	1.5
89.02318	23.5
91.58950	0.7
95.01247	3.5
99.00727	1.7
101.02324	25.6
105.58159	0.7
107.04900	2.7
111.00742	0.9
113.02339	11.3
119.03401	8.6
122.10803	0.6
126.99461	5.5
135.04416	40.5
136.04689	1.0
143.84666	0.7
146.83192	0.6
147.04372	1.3
149.04512	0.9
152.99486	1.4
159.04362	1.7
171.08118	1.0
171.10170	2.6
173.05888	1.4
174.06784	8.2
175.07581	3.9
179.05484	0.9
183.13753	0.6
188.08363	2.4
188.95033	0.8
189.09138	50.3
190.09544	3.4
211.13341	2.0
229.14474	1.5
256.14648	9.7
258.16202	6.0
259.16855	0.7
271.17056	3.6
273.15149	1.0
273.18527	1.3
274.15747	27.0
275.16119	2.4
289.18079	7.3
290.18210	0.8
318.13861	0.8
327.21735	6.0
335.88110	0.6
424.35342	0.8
436.12073	0.8
436.21021	34.0
437.21326	4.0
451.23380	73.2
452.23685	7.8
477.21219	6.5
478.21136	1.0
495.22397	100.0
496.22742	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	495.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.7
59.01249	1.2
68.25072	0.3
71.01261	2.4
71.37598	0.9
73.02823	1.1
74.02362	0.9
78.95792	1.3
82.61063	0.4
85.02818	2.2
87.00774	0.4
99.00785	0.4
99.05511	0.7
101.02327	1.4
107.04901	2.1
110.98401	0.7
113.02312	1.5
113.96669	0.3
130.46989	0.3
131.08569	1.0
135.04416	49.6
136.04665	2.3
138.98723	0.4
143.04503	2.9
147.04448	0.9
152.99509	1.5
159.04417	1.4
160.05217	1.5
161.04445	0.8
168.15443	0.4
168.23076	0.4
171.08046	0.6
171.10150	1.8
173.05975	0.6
174.06770	12.9
175.07565	5.0
176.08179	0.4
176.46219	0.4
177.03322	4.1
183.13774	0.6
185.02121	0.5
188.08269	0.6
189.09148	3.7
211.13374	0.8
238.55101	0.4
244.14687	1.1
256.14630	2.8
259.16797	0.5
262.68088	0.4
271.17023	0.9
274.15738	100.0
275.16101	8.3
283.07574	3.0
289.18094	97.3
290.15237	0.6
290.18478	9.1
327.21710	5.4
328.22061	0.5
333.16934	1.5
389.11829	0.5
495.23611	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	495.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
71.01248	55.9
71.57748	24.4
80.96365	16.2
85.02828	72.3
87.00745	17.2
89.02311	25.1
101.02313	30.3
108.38909	15.1
116.50792	15.7
120.01033	15.8
121.02828	26.3
135.03058	17.9
140.01686	15.7
161.04483	22.0
226.47105	17.0
230.21880	15.6
261.03036	15.6
267.07391	36.6
267.10187	30.9
279.10474	17.3
297.11249	45.4
299.01932	18.2
323.59271	18.6
384.15363	18.4
442.58102	18.1
495.14523	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	495.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	66.4
57.97427	14.6
59.01251	81.7
71.01250	28.8
71.56978	4.4
71.57438	5.7
72.01589	4.8
72.99178	4.6
73.02802	8.4
78.95782	100.0
80.91574	5.3
83.01258	14.5
83.82150	5.6
85.02821	7.4
85.38441	3.9
96.95901	6.6
96.96848	12.3
98.00566	8.6
99.00700	8.1
99.04404	58.7
101.02338	29.9
107.04897	4.9
111.45751	4.5
113.02331	5.4
119.03454	5.6
119.05032	4.3
121.02798	4.6
124.00916	22.9
125.02404	26.9
134.97755	4.3
135.04379	5.5
139.03621	6.2
140.00421	11.7
141.01175	4.6
147.04282	6.1
151.00044	5.8
152.99490	90.6
161.04529	7.9
163.03854	7.6
165.24530	5.0
167.99899	8.0
169.00705	6.5
183.02731	27.0
189.05219	5.6
195.10228	7.7
205.60709	4.5
236.37033	5.1
251.09291	12.7
267.13330	4.6
269.10245	15.4
283.67188	4.4
291.08572	14.9
309.09598	11.4
311.11475	4.8
333.09479	13.4
335.07623	21.0
351.10635	60.2
353.08499	15.5
413.14581	15.1
435.12659	14.1
495.20084	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	26.6
61.82581	3.1
70.17609	15.1
71.01252	22.9
75.00743	11.9
78.95773	80.9
78.96216	5.3
79.56555	4.4
89.02335	29.2
93.03320	4.6
95.98054	3.5
96.95884	3.8
96.96827	8.6
101.02307	10.0
113.02296	8.6
119.03396	17.6
121.02824	3.6
130.04074	6.0
131.04926	21.3
140.22461	3.8
143.03374	6.9
152.99484	100.0
161.04491	3.9
171.00529	8.4
179.05551	18.6
279.10275	38.3
495.19739	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45638	2.2
50.90067	2.0
57.14899	1.9
61.98697	17.2
63.24087	2.0
71.58585	3.5
75.00739	3.8
75.66767	2.0
78.95779	41.3
91.31495	2.6
96.96843	3.4
104.40330	2.2
105.40191	2.5
108.88858	1.8
117.42997	2.1
124.83655	2.8
152.99489	54.6
238.04787	7.4
255.23268	100.0
256.23587	8.1
281.25021	3.4
399.59186	2.1
409.23468	8.6
477.26257	2.8
494.21600	3.6
494.28754	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3534
Annotation	28-Homobrassinolide
Peak:m/z	Relative Intensity
56.23133	1.2
59.01240	2.9
62.76583	1.2
65.95061	1.3
69.03310	3.5
69.68124	2.3
69.68534	6.4
71.01253	1.4
78.95766	8.6
84.33015	1.2
91.92911	1.2
94.01836	1.4
107.04877	2.5
109.06458	1.1
111.08020	1.2
123.08054	2.3
125.24265	1.1
152.99474	11.7
161.49007	1.1
166.76741	1.1
167.33270	1.2
183.17427	6.2
212.67058	1.2
220.54778	1.6
227.16351	1.9
228.75113	1.2
229.18050	2.2
235.17009	1.3
236.17705	1.3
245.15387	3.0
293.21341	1.5
295.22797	2.3
297.24249	2.0
313.23798	3.1
325.24042	1.6
401.34225	1.9
411.32187	1.3
427.32202	4.3
431.35245	3.9
449.36404	8.8
450.36316	1.4
493.35370	100.0
494.35687	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	493.303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69717	0.5
53.30772	0.6
57.03313	0.6
57.19489	0.4
58.00462	1.0
59.01250	100.0
59.22969	0.5
60.01589	1.9
61.01702	0.8
61.98687	0.6
67.22709	0.4
69.35821	5.2
71.01251	15.3
72.99191	1.5
73.02817	0.8
78.95800	0.7
83.01279	0.8
84.62028	0.5
85.02814	3.2
87.00780	1.0
87.75581	0.5
89.01747	0.8
89.02319	18.2
95.01315	0.7
101.02332	7.7
113.02326	6.1
113.03051	0.5
114.46890	0.4
117.83484	0.5
119.03389	7.4
125.09636	2.5
126.99453	5.4
127.99809	1.9
128.99170	22.4
129.99515	0.9
131.03415	0.7
137.09624	0.7
141.12752	4.3
143.03435	1.5
153.12758	1.1
155.10728	2.1
156.11006	0.9
161.04512	0.7
166.09750	0.7
169.12297	0.8
171.10196	1.1
171.13731	2.6
179.05574	3.0
185.15410	0.6
199.09732	1.0
209.11806	1.5
211.13326	0.8
227.12909	1.0
249.21912	0.6
251.23903	0.6
255.93375	0.5
267.23303	8.0
268.23691	0.7
294.19199	0.5
313.23837	35.8
314.24210	2.9
322.93289	0.6
384.67798	0.5
419.24695	0.6
461.22623	1.3
493.30505	4.2
494.30811	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	4.6
57.91214	1.9
59.01251	100.0
61.98710	2.4
62.91348	1.5
70.07967	3.5
70.08377	6.4
71.01252	49.1
72.99194	3.1
73.02811	8.0
75.00754	2.6
78.95807	1.9
78.96940	1.7
83.01263	5.5
85.02825	23.7
87.00748	4.4
89.02314	27.7
92.86326	1.6
95.01282	2.9
95.67438	1.6
96.95886	5.0
98.19906	2.7
98.20461	2.2
99.00766	3.7
101.02323	31.7
111.00774	2.5
113.02334	20.9
119.03399	13.9
143.03354	3.7
149.21202	1.8
157.21770	1.7
159.02882	3.7
159.06520	1.9
161.04465	18.4
175.03955	1.8
179.05502	6.0
191.01852	3.2
209.03018	4.3
209.81679	1.7
271.19037	3.8
336.35025	1.6
345.19116	5.4
433.24451	74.4
434.24731	11.6
493.19357	2.3
505.50681	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	493.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	1.3
59.01250	3.4
71.04901	7.4
71.58125	1.3
72.00768	3.1
74.02322	1.4
76.80366	1.0
78.95777	10.3
83.04900	1.3
97.06487	6.2
97.07006	1.3
102.60885	1.3
116.04959	8.1
119.82342	1.2
121.02905	1.6
123.08032	3.6
128.04967	1.7
130.06477	4.4
131.03685	1.2
142.06538	24.2
144.04448	1.2
152.99492	4.6
157.07629	75.5
158.07953	3.5
171.10179	1.8
173.07091	3.1
179.07283	1.2
187.61588	1.2
192.08090	2.4
203.08241	10.0
206.59554	1.2
224.14386	1.9
237.14847	1.9
263.13156	1.9
284.16614	4.8
290.15549	1.6
290.18787	1.4
291.19724	10.3
308.16745	1.3
322.17935	1.5
323.10077	1.2
334.17963	1.6
362.24707	1.3
388.22870	2.4
406.23962	8.6
431.27063	3.1
449.28152	5.3
475.25906	2.6
493.27112	100.0
494.27539	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	493.2443
Annotation	Ephemeroside
Peak:m/z	Relative Intensity
58.00466	1.4
59.01253	61.5
60.01566	1.2
69.02328	0.6
71.01257	16.4
71.29407	1.3
72.99187	1.0
78.95801	2.8
85.02819	4.0
87.00758	0.8
89.02319	18.9
89.21764	0.6
101.02315	9.2
113.02338	8.4
119.03402	9.9
126.63508	0.5
128.51202	0.5
128.99178	3.9
143.03384	2.8
149.04485	0.7
152.99484	2.0
161.04466	2.8
179.05550	7.7
201.12787	1.7
201.14804	1.2
213.82167	0.7
237.37828	0.6
269.19073	5.6
287.20120	5.6
288.20609	0.7
313.18134	12.8
314.18146	0.9
325.20129	1.2
331.19144	100.0
332.19507	9.0
345.20676	0.7
351.21335	0.9
373.20242	7.8
374.20676	0.7
493.24478	40.6
493.31070	1.5
494.24878	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	493.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	2.2
62.99977	1.0
65.19572	1.0
66.47666	0.8
71.49808	1.1
71.50172	2.3
75.67721	1.3
78.95782	69.5
96.96854	6.9
97.06469	1.3
110.98420	6.9
121.02858	2.1
122.03632	2.8
128.62773	1.1
136.05232	1.6
152.99513	11.3
164.08316	1.3
165.12779	1.2
167.01051	3.8
167.14311	3.7
169.12112	1.2
171.00580	10.3
172.00937	1.7
185.02173	6.2
193.15962	2.8
207.17569	3.2
231.17532	1.8
233.15451	1.4
249.18575	29.9
250.18919	3.1
275.16571	19.2
276.17123	1.0
281.21277	6.2
293.17603	65.7
294.17981	3.4
295.23059	1.2
296.23022	2.2
307.19101	3.8
311.22177	5.9
313.18555	1.0
325.20203	100.0
326.20627	6.6
351.21365	1.4
492.27429	3.0
493.21826	13.8
493.27692	32.0
493.35242	6.2
494.28348	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	493.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	2.2
62.99977	1.0
65.19572	1.0
66.47666	0.8
71.49808	1.1
71.50172	2.3
75.67721	1.3
78.95782	69.5
96.96854	6.9
97.06469	1.3
110.98420	6.9
121.02858	2.1
122.03632	2.8
128.62773	1.1
136.05232	1.6
152.99513	11.3
164.08316	1.3
165.12779	1.2
167.01051	3.8
167.14311	3.7
169.12112	1.2
171.00580	10.3
172.00937	1.7
185.02173	6.2
193.15962	2.8
207.17569	3.2
231.17532	1.8
233.15451	1.4
249.18575	29.9
250.18919	3.1
275.16571	19.2
276.17123	1.0
281.21277	6.2
293.17603	65.7
294.17981	3.4
295.23059	1.2
296.23022	2.2
307.19101	3.8
311.22177	5.9
313.18555	1.0
325.20203	100.0
326.20627	6.6
351.21365	1.4
492.27429	3.0
493.21826	13.8
493.27692	32.0
493.35242	6.2
494.28348	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	493.221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	13.7
69.03341	2.1
69.22873	1.4
69.26735	3.4
69.27148	10.7
78.95782	69.4
80.96203	3.5
96.96864	3.7
97.06503	1.8
105.69798	1.4
110.98424	9.8
113.05959	1.5
113.09604	3.1
114.09871	1.7
121.02848	3.4
122.03610	3.8
140.01126	4.5
142.01521	1.4
152.99513	12.3
157.36531	1.3
167.01088	2.1
167.14326	4.2
168.04231	1.5
171.00569	7.4
185.02180	9.2
193.12271	3.4
193.15933	2.7
194.12579	4.6
195.12827	2.4
196.03792	3.4
197.04031	2.1
198.04361	1.7
207.17435	4.3
209.15361	1.4
214.04875	1.7
233.15434	1.8
239.12955	1.8
249.18581	34.0
250.18971	2.4
257.19168	2.5
267.15903	1.5
275.16562	24.7
275.19852	2.1
276.17117	1.8
276.20535	5.3
277.21033	1.6
278.21182	2.6
281.21249	5.7
293.17633	69.7
293.21075	5.5
294.18158	3.2
294.21548	12.8
295.21924	8.4
296.22122	8.3
299.42200	1.3
307.19220	3.5
325.20206	100.0
326.20529	7.7
391.82938	1.4
475.33963	1.7
492.26572	5.5
492.33746	2.4
493.21780	9.9
493.27112	36.2
493.34918	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	493.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13342	1.1
59.01255	11.5
69.70013	6.7
75.00764	4.2
78.95317	1.4
78.95782	23.0
93.03345	5.1
96.95908	2.9
96.96865	2.8
101.02344	1.6
107.04928	2.4
115.05414	2.7
119.04928	2.8
121.02843	5.5
123.00750	2.0
125.09633	2.1
130.04169	2.4
131.04912	4.4
133.06500	1.2
135.04390	6.7
135.08049	1.4
143.04933	4.6
145.06523	2.1
147.04387	1.5
149.05949	1.8
152.99506	25.5
171.10284	1.7
181.37494	1.3
195.08121	1.3
197.05997	1.6
209.06065	2.6
211.07587	2.3
213.14920	2.3
214.15288	4.4
219.08153	3.8
223.07561	1.9
225.05696	1.1
231.08192	1.4
233.05934	1.3
235.07692	1.7
238.06093	1.4
247.07648	4.4
249.09129	2.1
253.08675	6.0
259.07666	5.0
265.08722	3.9
268.07437	1.8
271.09906	3.3
277.08597	3.4
279.10498	1.4
283.09778	9.7
289.18088	5.9
307.19196	1.3
325.12451	2.9
335.10605	1.6
336.11606	1.8
337.12338	6.1
339.09970	1.6
341.11987	1.9
343.13400	1.8
345.13571	2.5
349.12289	2.6
353.11963	7.2
354.12503	1.6
355.13168	5.6
365.11804	12.9
366.12146	1.6
367.13483	5.2
371.12836	26.8
372.13266	3.6
377.11740	6.1
383.12912	64.1
384.13290	8.6
385.14188	1.7
394.11984	1.5
395.12836	16.9
396.13034	1.7
401.13937	100.0
402.14352	11.3
411.19904	2.0
413.13956	99.0
414.14444	12.0
431.15076	10.7
432.15103	1.5
443.15005	8.0
463.17645	24.0
464.18457	2.7
475.17294	3.1
493.23077	5.9
506.66577	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	493.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74157	0.8
59.01234	1.1
70.43641	0.8
70.95152	0.8
71.01263	0.9
71.29316	2.2
75.21613	1.0
78.95778	6.9
88.31667	0.8
93.03352	1.5
102.53078	0.9
106.04120	3.1
107.04919	30.6
117.47395	1.1
119.04911	1.8
121.02838	7.7
123.04403	2.2
134.03639	10.2
135.04419	100.0
136.01559	4.3
136.04723	3.3
145.06487	1.1
147.04433	13.9
147.07983	1.1
148.04741	0.9
151.03918	3.1
152.99492	6.1
160.05196	2.9
165.05498	34.2
166.05887	1.4
211.07573	0.9
211.13353	1.2
237.05478	1.7
247.07629	1.3
253.08838	1.0
263.06894	1.0
265.14441	1.0
269.08109	1.5
269.51712	0.9
297.11279	6.4
327.12256	4.8
415.15530	1.2
427.15607	1.6
431.14844	1.5
445.16400	10.0
448.43457	0.9
493.18396	3.1
493.22705	1.2
506.61139	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23592	5.8
58.40421	6.3
59.01246	25.2
69.54865	30.1
69.55299	25.8
71.01238	23.6
89.02294	16.7
93.03333	26.9
93.56682	5.7
101.02338	14.0
119.04887	11.9
123.04404	7.4
135.04359	7.7
147.04477	12.0
151.03914	41.0
159.04356	8.5
161.05931	12.6
181.05074	12.2
201.05428	7.0
235.07631	7.7
237.09128	19.9
246.90846	6.4
253.08569	10.6
265.08682	100.0
268.45862	7.6
283.09735	27.9
295.09821	42.7
313.10721	22.4
324.22678	6.8
331.11639	13.8
420.81482	7.2
445.15100	38.1
457.15051	10.9
475.16138	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84551	2.5
56.12442	2.4
56.51717	2.2
59.01253	27.9
69.52068	8.7
69.52494	12.3
71.01261	25.9
75.00734	5.5
78.95779	5.0
85.02834	4.6
89.02323	20.0
93.03355	3.7
99.00755	3.0
100.74762	2.3
101.02339	13.3
107.04913	6.1
108.02084	2.8
109.02834	5.4
113.02355	8.1
119.03392	6.8
119.04932	3.6
121.02847	5.5
122.03634	7.0
123.04415	50.6
131.04922	8.8
133.02820	8.2
135.04424	11.5
135.56747	2.8
137.02403	2.9
145.02843	7.3
147.04410	9.7
149.02345	5.1
149.05995	6.4
150.03125	26.3
151.03926	100.0
152.04268	3.5
158.36755	2.7
163.03935	23.4
179.05449	6.4
181.05005	43.7
201.99542	2.9
211.07599	4.2
265.08646	7.6
283.09784	43.0
284.10184	4.7
295.09845	4.8
445.15063	66.5
446.15408	5.9
493.17065	42.4
514.74115	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	493.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85843	1.1
59.01247	20.0
66.29753	1.1
69.29963	5.6
69.30394	6.6
69.51614	1.2
71.01251	6.9
78.95777	2.7
88.89463	1.2
89.02313	5.1
94.23910	1.1
96.96826	2.1
101.02307	2.3
105.15273	1.1
107.04899	3.6
109.02834	3.9
119.03377	1.5
119.04858	2.6
121.02847	4.9
122.03622	2.9
123.03533	2.4
123.04413	46.3
127.86258	1.3
128.03392	1.6
131.04904	2.0
133.02844	2.2
135.04430	8.3
137.02345	1.5
147.04431	5.0
147.95357	1.1
149.02316	2.5
149.05960	2.2
150.03163	7.2
150.25803	1.3
151.03918	100.0
152.04216	2.7
163.03882	4.0
165.05450	3.4
181.04994	45.1
210.02203	1.2
223.07556	6.1
241.08710	13.5
253.08723	5.8
265.08670	2.2
283.09738	11.1
295.09656	1.7
397.13968	1.5
445.14975	8.0
475.15820	1.4
493.17096	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	493.0987
Annotation	Quercetagetin 7-methyl ether 4'-glucoside
Peak:m/z	Relative Intensity
50.26455	2.2
53.43316	2.2
59.01250	18.7
67.03876	2.1
69.29932	24.4
69.90290	2.1
71.01244	11.9
72.99194	2.8
73.02823	2.5
75.00753	2.8
78.95764	2.8
84.64461	2.1
85.02840	12.4
89.02308	4.7
90.81288	2.2
91.78137	2.2
101.02319	6.9
104.34901	2.4
107.04916	2.5
109.02849	7.3
111.00725	2.9
113.02320	3.5
119.03331	3.2
120.04424	6.9
130.02885	2.4
133.22786	2.2
135.04427	11.0
135.09503	2.4
136.01569	5.9
137.02347	3.6
138.05548	2.5
139.00272	4.7
148.01530	2.9
149.02353	9.3
149.99475	2.2
151.00339	2.5
153.01860	10.7
157.17955	2.4
161.02396	4.3
163.00209	2.5
164.01085	3.7
164.98242	5.6
165.01859	21.3
165.05508	3.1
165.98996	6.3
166.02483	3.9
167.03368	3.9
168.06569	5.4
174.01860	8.5
175.00262	6.7
176.01125	3.2
178.99799	6.4
186.03107	2.5
187.03928	3.7
189.01945	2.8
191.01749	2.7
193.01376	9.3
195.02913	3.6
198.03117	5.2
199.03899	4.8
203.03345	3.8
204.16629	2.6
214.02594	3.5
215.03444	9.3
217.01508	2.8
226.02690	7.4
231.02899	4.3
242.02151	13.2
243.02942	10.7
244.03708	5.2
254.02153	9.9
255.02608	2.8
257.04492	5.8
259.02429	4.1
265.07617	6.5
268.28409	2.4
269.04575	7.7
270.01694	14.0
271.02481	58.7
272.03125	5.7
273.03958	2.5
285.04068	29.2
286.04590	6.9
287.01993	46.3
287.05142	4.3
288.02591	3.8
298.01108	5.2
299.01877	6.7
301.03528	2.6
302.04193	3.3
303.05017	3.9
313.03497	53.9
314.04083	6.5
315.01419	88.1
316.01962	19.8
329.02972	2.7
330.03775	87.7
331.04547	67.4
332.04807	4.0
355.09171	23.4
357.08105	2.7
475.20178	3.7
492.29041	3.9
493.09866	100.0
493.21790	5.1
494.10190	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	493.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56458	0.9
59.01251	8.3
61.00639	0.8
65.53967	0.9
71.01239	3.2
71.57942	0.9
71.58354	0.9
75.00746	1.6
78.95754	2.1
85.02824	2.7
86.03170	1.1
89.02327	1.1
93.03320	2.8
101.02335	2.0
107.04887	2.6
108.04453	5.4
119.04917	3.3
120.04397	1.0
121.02828	1.1
122.06027	7.3
132.04445	1.0
134.03632	5.4
135.04419	8.4
137.02278	1.1
146.06004	1.2
147.08086	1.4
151.03903	1.2
160.03949	11.6
160.05132	2.0
162.05473	1.7
165.05487	2.7
171.10060	1.2
175.02632	2.0
188.03429	10.9
188.67683	0.9
189.04164	1.5
190.05003	1.7
200.10715	3.2
204.02925	3.9
212.07204	1.4
213.06679	1.5
218.04527	14.9
219.05046	1.1
222.09303	1.1
223.08687	1.1
224.07158	1.2
226.03702	2.0
227.08173	1.3
238.05074	1.4
239.08328	2.1
239.11835	2.4
240.10318	1.3
243.11357	20.5
244.11693	1.6
250.08701	3.3
251.08202	2.2
252.08968	2.0
253.06279	3.1
253.09805	1.9
254.06908	3.2
255.07568	3.4
256.03629	2.1
264.06659	1.3
265.07547	9.9
265.11963	2.6
266.08130	2.5
266.10693	1.3
267.03949	4.6
267.07770	4.2
267.11346	13.8
268.09195	1.9
269.09357	9.2
280.04895	1.8
281.05652	11.1
281.08997	1.6
282.06339	3.1
282.09976	1.2
283.07611	6.0
283.10480	6.0
287.10342	1.6
293.06033	1.2
293.09412	2.3
294.07013	1.3
295.07175	10.7
296.07986	5.6
297.11270	1.1
309.08713	5.4
310.09546	2.7
311.10361	100.0
312.10699	9.4
313.08124	1.5
337.08322	15.2
338.08539	1.1
343.12955	2.7
355.09311	52.9
356.09335	4.4
369.10974	1.7
373.15561	9.0
374.15967	1.2
376.17566	1.4
387.11948	67.7
388.12451	7.0
417.14368	5.2
445.16592	10.4
449.17062	2.0
457.19031	1.3
461.10843	6.1
462.11591	1.2
475.20148	3.5
492.29086	2.0
493.16046	48.2
493.28244	1.7
494.16464	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	492.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	2.2
68.49133	1.1
69.03329	0.9
69.61469	8.0
78.95778	64.9
79.06366	1.0
96.96838	3.6
105.27431	1.2
119.74665	1.0
122.00027	1.8
124.91483	1.2
128.02443	1.1
140.01067	8.5
147.16090	1.0
151.42136	1.0
152.99516	10.3
171.00586	8.0
171.10185	8.5
195.13853	16.3
196.03780	11.1
196.14153	1.3
214.04909	5.5
255.62709	1.1
277.21716	27.3
278.21881	2.3
295.22778	100.0
296.23203	7.6
327.22171	1.1
383.37192	1.0
492.27328	73.8
493.27847	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	492.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.6
63.02389	0.6
63.37376	0.6
63.47045	0.7
69.29816	4.3
69.30238	2.8
77.96631	0.6
78.95779	12.0
113.09602	1.9
127.28617	0.6
129.71616	0.7
140.01100	3.7
152.99489	1.4
179.14316	0.7
181.12384	0.8
195.13846	17.5
196.03795	1.6
196.14226	1.1
214.04803	3.6
277.21722	15.1
278.22064	1.1
295.22787	100.0
296.23123	7.7
307.37631	0.7
325.20233	0.9
375.84677	0.7
388.80887	0.8
476.49033	0.7
492.27328	20.6
493.27563	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	492.224
Annotation	ryanodine
Peak:m/z	Relative Intensity
52.38563	0.5
59.01252	3.3
63.71142	0.5
69.03310	0.5
70.10345	1.0
70.10760	1.8
71.01255	2.9
72.99196	2.2
73.02808	0.5
73.48221	0.5
75.00749	37.3
78.95769	0.5
79.14152	0.4
85.02803	1.0
87.00751	7.1
89.02273	0.5
93.03339	51.1
94.03669	1.7
94.06514	0.7
97.02813	1.7
99.00772	1.6
101.02257	0.5
107.60667	0.5
119.04941	0.8
147.04428	0.5
157.05246	1.3
162.12746	0.6
164.14374	3.2
170.06076	0.5
173.05980	1.3
174.12759	0.6
176.14330	1.2
190.12282	3.1
200.14368	1.8
206.11861	1.2
208.13379	22.0
209.13750	1.5
211.09653	0.5
220.13388	5.8
222.14934	1.1
232.13406	1.4
244.13425	2.6
250.14394	3.2
262.14264	0.6
274.65402	0.5
278.17404	0.6
291.59177	0.5
294.18610	1.0
296.16660	2.3
310.18045	1.2
314.17651	22.4
315.17722	2.3
320.16571	5.2
328.19205	4.2
338.17657	20.2
339.17987	2.0
356.18692	24.3
357.19131	2.5
384.21713	0.9
386.19556	0.8
394.20248	10.6
395.20468	1.6
398.19580	0.9
438.19296	1.8
456.20343	2.0
474.21323	8.7
475.21466	1.6
491.28659	0.6
492.22409	100.0
493.22760	15.4
493.29575	0.3
500.52109	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3379
Annotation	28-Homodolicholide
Peak:m/z	Relative Intensity
56.10309	1.0
57.03309	0.9
59.01249	3.0
60.70066	0.8
69.03331	2.8
69.73268	4.4
70.90689	0.8
71.01232	0.9
71.04843	0.9
72.99186	3.1
75.00739	1.5
78.95789	6.9
95.04913	0.9
98.19808	1.7
104.30869	0.7
152.99524	9.9
179.14342	1.2
181.15930	4.0
209.09718	1.2
225.14987	2.1
226.06187	0.9
227.16492	1.4
237.15454	0.9
243.13913	1.8
245.15434	3.9
249.91603	0.9
261.15009	1.2
263.20090	5.9
264.20593	0.8
269.06931	0.8
273.47269	0.8
286.15808	0.8
295.22635	2.3
383.10965	1.2
399.32898	1.8
409.19009	1.8
425.30652	2.2
456.13480	1.8
473.32394	2.2
480.30341	0.9
491.33798	100.0
492.34256	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	491.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03303	1.3
57.86604	0.3
59.01237	1.5
59.68402	0.3
59.98436	0.4
69.03329	3.6
69.42101	0.3
71.01233	0.4
71.04890	0.7
71.06071	0.6
75.24066	0.3
78.18022	0.3
78.95781	31.9
83.04898	0.4
85.06444	0.6
86.92448	0.3
96.96842	2.7
97.06470	0.4
109.06530	0.8
121.06416	0.4
137.09605	0.5
140.01083	1.0
142.30037	0.4
149.05995	0.8
151.07513	0.8
152.99493	8.0
161.41333	0.3
171.00560	5.8
171.28302	0.4
193.12285	9.8
194.12570	0.7
195.13884	1.0
196.03761	0.4
214.04881	0.8
227.16470	7.3
235.17058	0.6
236.17332	1.3
245.15448	0.5
259.13388	0.4
261.15021	1.8
263.16516	100.0
264.16870	7.5
275.20157	0.6
276.20596	1.6
277.21710	1.1
287.25308	0.3
291.19815	0.5
292.20074	0.4
293.21277	1.7
294.21585	5.1
295.22766	6.1
321.24481	0.5
379.26102	0.3
383.36499	0.3
397.27560	0.4
418.23816	0.4
437.30603	1.2
453.30002	0.5
455.31689	0.9
473.32758	1.0
491.26187	3.4
491.33829	29.4
492.27426	21.0
492.34171	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	491.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35432	0.1
55.01742	0.2
59.01245	5.2
71.01248	4.5
71.57615	0.2
71.58012	0.2
72.99184	0.3
73.02821	1.0
83.01281	0.4
85.02835	1.1
87.00740	0.4
89.02312	2.9
95.01246	0.2
97.02825	0.2
99.00777	0.3
101.02327	4.0
102.02640	0.2
103.03854	0.3
113.02329	2.0
119.03384	1.0
125.02325	0.3
125.80614	0.2
131.03371	0.2
133.04967	0.6
143.03404	0.4
158.76901	0.2
161.04478	1.3
179.05511	0.7
202.55527	0.2
233.08525	0.2
235.08206	1.7
253.09256	13.3
254.09598	0.8
255.23254	100.0
256.23596	10.0
374.70758	0.2
397.54883	0.2
491.26114	0.2
491.33536	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.338
Annotation	Phlomishexaol A
Peak:m/z	Relative Intensity
51.15011	0.6
57.03310	1.4
59.01250	8.3
69.03310	3.2
69.23213	7.8
71.01254	1.3
71.04888	1.2
73.02818	1.3
78.95783	2.2
79.22655	0.7
81.06937	0.8
83.04939	0.8
85.02820	1.3
93.03379	0.9
95.04927	1.0
98.20650	1.1
99.04447	0.9
101.02377	0.9
107.04912	0.6
107.63619	0.7
109.06489	3.7
111.08061	5.1
123.08031	1.6
125.09667	0.6
139.07504	3.2
151.11169	1.4
152.99573	1.8
153.12729	1.4
171.10233	0.9
177.76524	0.8
183.13826	5.1
193.12161	0.6
221.15536	1.2
233.15475	1.1
251.16536	2.2
263.16516	0.8
273.14948	1.1
291.19748	1.0
309.20670	4.8
329.13873	0.8
341.28586	2.9
353.28519	2.1
371.29559	15.1
372.29868	1.2
387.28986	0.9
415.28629	2.9
443.31879	1.8
446.01971	0.6
453.34677	0.7
455.31693	3.0
473.32861	7.1
474.60709	0.7
491.33911	100.0
492.27863	0.7
492.34250	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	491.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89894	0.3
56.21486	0.4
56.73698	0.3
58.65413	0.4
59.01250	4.0
69.28088	0.6
69.28484	3.4
71.01257	3.4
72.99196	0.4
73.02808	1.2
78.95779	3.7
79.43803	0.3
81.71808	0.4
83.01256	0.5
83.45723	0.4
85.02834	0.7
87.00749	0.7
88.93674	0.3
89.02311	2.6
97.38843	0.4
101.02324	4.3
111.98888	0.4
113.02318	1.5
119.03363	1.1
133.04950	0.7
135.84827	0.4
143.03435	0.6
152.99500	5.4
161.04466	1.5
176.52797	0.4
215.09152	0.4
235.08229	1.6
253.09262	12.4
253.11897	0.7
254.09818	0.5
255.23273	100.0
256.23624	6.9
279.23196	0.9
294.68909	0.3
295.26611	0.6
327.46976	0.4
390.89319	0.4
409.23471	1.0
491.33704	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	491.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.2
57.03313	1.2
58.00461	0.9
59.01249	29.4
69.03315	1.2
71.01252	12.9
72.99181	0.7
73.02818	3.5
75.00742	0.4
77.32574	0.3
83.01253	2.2
85.02820	5.9
85.99951	0.6
87.00748	4.0
89.02312	2.8
95.01243	1.0
97.02803	1.0
98.19809	0.7
99.00745	1.3
101.02324	7.2
102.94726	0.3
103.81374	0.3
111.00739	0.9
112.01511	0.6
113.02335	3.6
113.09570	0.7
119.03381	0.6
124.01559	0.9
125.02309	1.6
125.09566	0.4
127.11166	1.2
143.03386	0.9
143.10675	0.9
171.10188	0.8
172.65303	0.3
195.40935	0.3
211.13319	0.5
229.14380	0.7
232.49045	0.3
239.20323	0.4
239.65092	0.4
241.21674	0.6
269.21155	4.4
270.63632	0.3
285.20737	0.7
287.22272	38.2
288.22604	3.3
293.21152	0.9
299.02020	0.7
299.22220	1.3
301.23856	0.7
311.22452	0.7
313.03424	0.8
314.04233	1.1
328.05637	0.4
329.06622	1.9
329.23276	2.2
347.16870	0.5
381.97891	0.3
401.24832	0.3
422.53995	0.3
431.26492	19.1
432.26819	2.2
449.27536	38.4
450.27829	5.2
491.28595	100.0
492.28882	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	491.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98243	3.7
57.03327	3.7
59.01253	43.9
70.69609	10.2
71.01261	18.2
75.00716	3.7
78.95787	25.4
83.04898	4.5
89.02322	22.6
96.95925	5.1
122.89327	4.6
125.87239	5.2
130.27946	3.8
152.99475	37.7
202.32018	4.0
214.04817	4.8
262.00400	4.9
263.05881	5.2
263.20105	15.8
265.07452	12.1
267.09167	13.9
279.16089	12.1
293.21414	13.6
295.08563	9.7
295.22791	12.6
309.10205	100.0
310.10474	10.1
311.22318	26.2
387.06702	5.9
393.21524	4.5
409.19012	28.4
456.14005	10.3
491.34366	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	491.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.9
57.03318	6.9
59.01254	66.9
60.01594	1.4
69.03323	6.4
69.68317	11.3
71.01254	24.0
71.04889	5.9
72.99175	1.7
73.02811	8.0
78.95779	20.9
83.01257	4.7
83.04901	2.4
85.02818	12.4
85.06480	2.2
85.99976	2.7
86.41286	1.8
87.00737	2.3
89.02310	6.7
95.01224	1.5
95.04893	2.7
97.02843	3.2
97.06455	1.9
99.00741	4.5
99.04395	2.9
101.02316	20.5
105.33108	1.8
107.04872	1.9
108.13686	1.7
109.06451	2.9
111.08039	4.0
111.34589	1.8
113.02335	6.7
119.50985	1.7
121.06493	2.4
123.08060	2.8
124.99990	4.8
129.09122	2.2
151.07581	1.6
151.11226	1.7
152.99506	13.5
154.55276	1.7
181.02695	3.5
189.12688	2.0
193.12151	1.7
195.13797	10.7
199.03708	6.0
199.13426	1.9
207.13878	3.3
207.17519	3.4
211.13301	7.3
221.15440	9.9
223.16991	13.4
227.16562	2.1
233.15424	9.8
235.16925	1.8
241.21790	1.7
243.13750	2.8
245.15338	3.9
247.13425	1.9
247.16905	2.8
251.16518	42.3
252.16768	3.8
263.16327	1.9
265.18106	4.3
271.13492	2.6
273.14978	2.1
273.18628	2.7
287.22363	3.6
291.19638	9.0
293.21127	6.4
303.19611	3.8
309.17484	3.4
309.20688	66.2
310.21078	5.0
311.22330	1.8
329.23572	7.9
364.71246	1.6
383.29486	2.4
385.31381	1.8
389.23282	2.6
396.47394	1.8
431.26465	29.8
432.26816	2.1
443.31406	4.6
445.29614	7.1
447.31186	1.7
449.27539	57.5
450.27802	4.6
455.31836	10.8
473.32953	16.3
491.28510	100.0
491.33963	69.3
492.28726	10.7
492.34470	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	491.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73310	1.6
54.28828	1.5
55.01752	2.7
56.11675	1.5
57.03323	7.2
57.37591	1.8
58.00463	2.9
59.01251	100.0
61.98706	17.3
62.50471	1.6
65.00185	1.6
71.01251	55.5
72.94976	1.7
72.99181	3.8
73.02821	13.6
74.47413	1.9
75.00754	8.1
80.92886	2.1
83.01266	5.9
84.02029	1.9
85.02824	59.3
87.00750	8.6
89.02319	21.2
95.01267	5.3
96.95901	2.7
98.20559	3.6
99.00772	6.8
101.02329	33.0
108.02033	2.1
109.51296	1.7
111.00775	6.6
113.02330	21.9
119.03336	8.4
121.02856	6.1
122.06005	5.9
123.04442	3.2
129.01860	4.5
143.03459	2.7
143.04500	2.3
147.02888	3.0
152.07057	11.1
155.10677	3.9
159.02881	6.4
161.04442	21.1
173.00777	2.6
179.05580	3.7
181.12309	5.0
191.01884	9.4
193.05058	1.8
199.13356	3.6
209.02997	7.1
227.03461	5.7
228.03764	3.6
229.03995	3.1
229.69693	2.1
239.11870	2.9
255.02959	8.5
256.03317	9.1
257.03586	11.9
267.11270	2.5
269.17532	19.8
283.10864	8.1
284.03146	9.3
285.03772	13.7
286.03931	18.1
287.04620	8.7
341.19861	3.6
361.18503	3.5
413.21780	6.2
431.22845	72.1
432.23206	10.3
448.18875	6.8
459.09164	2.0
491.11029	19.3
491.18942	2.7
492.17828	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	491.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	5.1
57.03320	9.0
59.01249	100.0
61.71509	1.7
61.98446	1.8
61.98703	17.2
64.37132	1.8
68.99680	2.8
69.37185	18.6
71.01251	59.5
72.99174	3.8
73.02821	11.1
75.00739	11.1
78.95765	1.9
83.01257	6.7
85.02821	62.7
87.00759	8.7
87.21046	2.1
89.02309	30.4
93.03319	2.6
95.01270	5.3
96.95905	2.0
99.00754	6.3
101.02324	35.1
101.05927	1.9
108.02050	4.7
109.02863	1.7
110.67059	1.7
111.00784	7.2
113.02338	25.3
119.03364	11.6
121.02840	4.5
122.06013	12.0
123.04390	3.7
128.03366	2.4
129.01826	6.6
131.62091	1.7
132.04330	2.0
133.04962	5.2
134.03618	2.1
135.46671	1.8
136.33849	2.3
143.03444	3.2
143.04459	2.7
147.02892	7.4
147.75105	2.0
148.60480	2.2
152.06068	2.1
152.07095	18.7
155.10652	3.3
159.02899	6.1
161.02332	2.1
161.04474	21.8
163.11230	3.1
173.00800	3.2
177.05508	4.3
178.02599	5.8
179.05540	4.5
181.12283	5.1
191.01900	14.0
193.04982	7.1
195.10158	2.6
199.13301	3.4
209.02963	9.9
223.08673	2.1
223.56575	2.3
227.03415	4.5
228.03720	4.4
239.11824	5.0
251.16496	4.8
255.02917	6.8
255.11249	2.2
256.03293	4.4
257.03528	7.8
267.11249	3.2
269.17578	27.5
283.10861	15.1
284.03265	8.2
285.03738	10.4
286.03848	13.2
287.04559	7.0
295.10880	3.1
329.11133	2.8
341.19379	3.5
343.17657	3.8
357.14539	2.0
361.18835	4.3
413.21918	5.5
431.22818	89.3
432.23358	13.0
433.14938	3.1
448.18762	15.1
458.43134	1.9
491.11020	15.6
491.18991	8.2
492.17688	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	491.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38402	1.0
54.16998	1.2
56.27040	1.2
59.01245	2.9
71.57621	1.0
71.57972	1.1
78.95776	33.0
83.92612	1.3
120.96872	6.0
125.98618	1.1
134.98466	2.0
137.00020	1.2
138.97916	9.6
152.99503	20.5
159.59756	1.1
183.17467	1.8
190.29308	1.1
195.00586	11.8
213.01642	4.9
277.21722	100.0
278.22049	7.3
280.23468	1.6
281.15540	1.2
432.04758	1.2
447.34683	2.5
473.23102	53.1
474.23450	5.9
491.23849	5.8
491.33676	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	491.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30027	1.1
54.90129	1.4
57.03315	2.1
59.01256	9.9
61.98698	1.7
68.55388	1.2
69.03345	1.6
70.87650	3.6
71.01250	2.7
71.04881	4.1
75.69739	1.3
78.95787	30.6
83.04903	2.2
85.02861	1.5
99.04391	1.9
99.07996	1.7
111.08009	2.1
123.08060	4.6
124.80906	1.3
124.99989	7.3
134.03688	1.6
152.99480	14.8
155.71968	1.3
177.45714	1.3
181.02559	3.8
195.13834	8.5
199.03783	9.0
207.13857	4.4
207.17387	4.0
221.15349	5.6
223.09740	1.4
223.16995	22.2
233.15436	11.0
234.13228	1.4
237.14813	1.6
239.64101	1.2
243.13977	1.3
245.15417	2.0
249.15005	2.8
251.16515	61.3
252.16837	3.9
258.01276	1.4
273.18555	1.5
277.14145	3.2
291.19672	10.0
306.17941	1.5
308.12506	2.0
309.20718	100.0
310.21121	8.4
311.22498	1.4
360.23083	1.4
449.27936	2.9
455.31253	2.8
473.32657	8.2
491.23730	36.9
491.33655	12.0
492.24463	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	491.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	4.5
63.42927	0.4
67.67800	0.4
69.69227	1.7
69.69652	1.1
71.01256	3.6
72.99187	0.5
73.02818	0.7
75.15398	0.4
78.95778	61.3
83.01241	0.7
83.61705	0.4
85.02827	0.6
87.00772	0.5
89.02313	2.2
96.96837	5.9
101.02328	3.3
113.02332	1.7
119.03359	0.6
143.39346	0.4
150.97929	1.5
152.99495	100.0
153.70799	0.4
153.99828	1.2
161.04497	1.4
163.59695	0.4
171.00571	3.0
212.92155	0.6
230.27817	0.4
230.93253	0.7
235.08203	0.6
240.26378	0.5
252.99658	0.6
253.09256	10.2
255.23273	77.0
256.23541	3.3
295.26508	2.2
409.23593	32.8
410.24017	2.6
491.22833	0.5
491.33875	1.2
492.30945	0.6
499.23053	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02299	1.0
59.01250	1.5
71.58147	1.7
71.58531	1.3
78.95780	72.2
83.72383	1.0
96.96839	4.9
106.34973	1.0
133.37822	0.9
135.04329	1.0
152.99495	100.0
155.36667	1.1
171.00554	3.0
251.16524	1.2
255.23288	5.3
400.52661	1.1
409.23608	37.2
410.23941	3.9
447.34787	1.3
491.33844	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	491.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	1.1
57.03329	4.8
58.00458	3.3
59.01251	100.0
63.94721	0.6
71.01253	44.8
71.57752	1.1
72.01575	0.8
72.99188	3.8
73.02798	5.1
75.00769	2.1
83.01255	3.8
85.02820	45.7
86.03166	1.3
87.00738	3.5
89.02316	45.6
90.02670	1.1
93.03385	1.3
95.01292	2.3
99.00784	0.9
99.04395	5.1
101.02319	28.9
111.00779	2.5
112.98289	0.7
113.02331	19.5
116.92776	1.3
119.03391	25.5
119.04243	1.3
125.02365	0.9
128.96251	0.7
129.01836	4.9
131.03412	2.7
133.04956	0.7
133.64201	0.8
143.03426	5.7
147.02917	9.6
147.04471	1.3
149.02435	1.0
149.04451	2.6
150.43280	0.7
161.04472	7.8
173.00891	1.7
176.47998	0.7
179.05545	24.4
180.05951	1.3
181.12349	0.7
191.01884	12.8
207.13840	72.4
208.14186	3.9
209.03029	1.7
209.11809	1.0
223.06100	1.6
225.14969	1.7
251.12857	16.6
255.10316	3.2
267.10229	1.2
269.13974	2.0
271.02539	1.2
285.04150	1.7
306.07816	0.8
307.53711	0.9
311.14954	10.3
314.04471	1.7
329.06937	1.4
329.11517	1.3
329.15906	1.3
337.00320	0.8
387.15317	1.4
387.20233	22.6
387.24951	1.3
388.20776	2.6
429.16211	1.0
431.19049	10.0
432.19666	1.6
449.20258	0.9
452.88074	0.8
491.21182	18.5
492.21649	3.2
513.01978	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75161	0.5
56.97909	0.5
59.01255	2.8
69.52917	2.3
69.53342	1.9
71.01255	3.3
73.02829	0.6
78.95760	0.5
79.40014	0.5
85.02811	1.7
89.02329	1.2
93.03380	0.8
101.02328	1.8
107.04888	0.9
108.02055	0.6
113.02307	1.8
121.02868	0.7
121.51555	0.5
122.03572	0.5
123.04397	1.4
124.01508	0.6
137.02330	2.1
143.04770	0.6
146.03598	0.7
147.04366	1.5
149.02325	1.0
149.06000	0.7
150.03131	7.2
151.03848	0.6
158.03722	1.2
159.04446	8.3
160.05215	31.1
161.04538	1.1
161.05966	7.1
163.03914	6.6
164.04738	4.0
173.05980	3.3
174.06487	0.6
175.07565	29.4
176.04657	0.7
176.07816	1.3
177.05481	5.8
178.06290	4.9
192.07706	0.5
193.08565	2.6
299.12881	100.0
300.13235	6.3
329.10547	0.7
329.13910	3.9
330.14078	0.8
375.16058	0.6
513.62805	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52472	2.1
59.01255	53.3
68.02406	4.2
69.61782	15.3
71.01260	37.2
72.99176	3.4
74.02322	3.4
74.80998	1.9
78.95775	6.8
84.12571	1.7
85.02834	5.6
87.00767	4.5
89.02318	39.5
93.03332	8.8
96.96857	2.4
98.19672	2.1
101.02332	21.4
108.02058	2.5
113.02325	15.7
119.03383	16.7
119.04903	2.2
121.02841	14.5
122.03238	2.3
128.03406	2.7
130.04129	6.4
131.03397	2.4
131.04900	4.4
134.03598	3.0
135.04448	2.8
137.02361	3.3
143.03404	3.4
143.04900	4.7
145.06448	3.1
152.99466	4.6
156.05721	2.9
172.05284	2.6
173.05966	11.4
179.05550	5.9
180.65132	2.3
185.05965	2.5
215.35043	2.5
237.69374	2.1
240.80969	2.1
241.85841	2.2
243.78189	2.5
247.07570	2.6
248.08327	4.1
249.09167	26.0
261.09128	2.7
279.10275	100.0
280.10559	8.5
315.18097	2.3
329.13599	4.2
459.16534	2.3
472.77979	2.4
492.25418	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	491.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62080	2.0
57.03305	2.8
57.78267	2.0
58.00471	4.0
58.03798	2.0
59.01252	100.0
62.26751	2.3
69.45287	8.1
69.45718	11.6
71.01256	67.5
72.99185	4.1
74.69897	2.3
83.01277	2.8
85.02821	11.6
87.00780	4.5
88.33570	2.4
89.02322	73.4
93.03343	11.5
95.01260	4.6
101.02328	34.2
108.02068	2.4
109.02828	4.6
113.02320	26.4
114.45157	2.1
119.03393	32.4
121.02820	14.2
124.01598	3.6
125.02309	12.8
130.04144	3.1
131.03372	4.0
131.04930	9.8
135.04393	3.5
137.02332	13.9
143.03410	7.5
143.04994	2.9
145.36122	2.3
149.04428	3.8
149.05980	2.5
155.01466	2.5
157.06593	2.9
161.04459	6.1
163.03908	5.1
171.04417	3.3
173.05998	10.0
179.05550	14.0
185.05956	2.7
192.78925	2.5
207.08014	2.8
211.07565	4.6
223.07587	3.6
237.05702	3.3
247.07399	2.7
249.09200	3.6
253.08684	3.0
261.09344	3.2
263.07059	3.7
265.08774	3.8
267.10422	3.5
279.10245	64.8
280.10611	7.8
281.08212	41.6
282.08444	2.9
293.08194	28.6
294.08667	4.1
302.43832	2.5
311.09335	14.3
329.90277	2.3
459.17072	3.1
461.14536	5.8
473.14529	5.1
491.15671	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	491.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97442	1.7
57.03315	5.6
59.01249	13.6
66.62024	1.6
69.03317	4.3
71.01260	7.2
71.04919	4.9
71.57451	3.0
73.02802	2.5
73.80014	2.0
75.00765	2.8
78.95779	71.5
83.30336	1.7
85.02846	2.6
93.03373	2.0
95.04902	3.5
96.96809	3.4
99.04397	8.8
101.02328	4.4
107.04885	5.8
110.98412	2.6
113.02308	2.4
121.06484	2.6
123.04370	3.7
123.08071	3.0
124.99962	1.7
125.02323	2.0
125.09521	1.8
134.03642	1.9
135.04428	55.2
135.07985	2.0
136.05182	2.4
139.04021	2.0
149.06033	2.2
149.61415	1.7
152.99492	17.1
160.05228	2.6
163.67940	2.0
171.00534	7.2
174.06775	5.1
175.07535	5.4
176.08366	10.4
185.02092	2.2
189.09100	7.1
191.10715	2.0
191.14265	2.1
195.13924	2.7
197.11673	3.5
207.13884	3.5
223.16917	3.5
231.14096	2.3
233.15359	3.6
244.14656	100.0
245.15030	13.4
251.16577	11.0
255.19632	3.6
259.17038	13.8
265.18091	4.1
270.12546	3.5
276.20419	2.6
285.15082	2.3
291.19592	17.9
292.19879	2.4
294.21417	5.1
303.16003	65.4
304.16327	6.0
305.21201	4.6
309.20679	17.6
323.22211	25.0
325.58923	2.3
327.16068	5.5
327.21484	2.0
341.17459	2.3
345.17017	16.3
349.19482	2.9
369.16989	2.3
377.23587	4.1
387.18112	25.7
397.27597	3.3
415.28226	4.2
429.30106	3.8
433.29721	2.7
447.20090	3.4
455.31613	6.3
473.32764	10.2
486.52399	2.3
491.25714	31.3
491.33728	30.3
492.25687	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	491.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	41.6
60.01579	0.9
63.12325	0.9
69.48193	7.4
71.01266	0.9
72.99181	10.0
75.00746	8.8
85.02822	1.2
88.96470	0.8
119.04947	1.5
120.25386	0.9
133.04958	100.0
134.05246	1.3
135.04442	1.3
159.69151	0.8
163.03941	1.7
165.73665	0.8
231.45557	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99715	0.3
57.02510	0.3
59.01250	39.4
60.01569	0.5
63.69105	0.2
70.64403	0.5
70.64779	0.6
72.99174	6.7
75.00744	8.3
81.14562	0.3
93.50114	0.3
132.12384	0.3
133.04959	100.0
134.05266	1.7
139.68898	0.3
143.26117	0.3
167.34630	0.3
292.97974	0.3
295.10431	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01589	1.1
65.31744	0.2
71.01247	0.4
71.44842	0.2
73.02809	0.3
77.82222	0.1
78.95778	0.4
85.02827	0.2
101.02318	0.3
113.02361	0.2
114.11980	0.2
126.99457	11.3
130.21831	0.2
161.04478	0.5
389.13983	0.6
390.14157	0.2
431.14911	0.2
452.54980	0.2
491.25824	0.4
506.38843	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17573	0.5
57.03297	0.8
59.01242	2.3
65.21650	0.5
69.39915	4.9
71.01249	1.7
72.99174	4.0
73.02812	0.7
73.99490	0.6
74.02320	0.8
75.00745	100.0
76.01092	0.7
85.02828	2.5
96.95909	0.8
97.78493	0.6
101.02375	0.6
110.09773	0.6
111.00737	0.8
113.02354	0.7
116.03411	0.6
119.04909	0.8
123.04435	1.4
129.01801	0.6
135.04393	0.8
147.06540	11.4
148.06880	0.7
173.00833	0.9
179.03362	0.5
252.49182	0.6
329.10400	0.6
346.77020	0.5
353.80673	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38429	0.2
59.01249	100.0
60.01591	1.0
62.86898	0.1
69.47260	1.1
70.03288	0.2
70.75794	0.2
70.96219	0.1
71.01263	0.5
73.02827	0.3
75.92982	0.1
78.95766	1.4
78.96127	0.1
83.93137	0.1
85.02816	0.3
93.03357	0.1
101.02332	0.2
122.98457	0.1
124.91302	0.2
126.99457	11.8
127.99801	0.3
149.26752	0.1
152.99521	0.3
161.04422	0.2
171.00571	0.4
229.94647	0.2
302.28662	0.2
323.22275	0.2
329.17780	0.6
348.68604	0.2
371.12741	0.2
389.13940	0.7
390.14474	0.2
431.14996	0.4
490.25842	0.3
491.26083	1.0
491.34457	0.2
501.70313	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27486	0.2
52.08192	0.1
59.01249	100.0
60.01582	0.8
71.01240	0.3
78.95766	1.3
85.02818	0.3
98.20161	1.2
101.02319	0.2
111.08175	0.2
126.99453	32.3
127.99813	1.1
144.96049	0.3
152.99493	0.3
171.00511	0.2
195.53596	0.2
221.11655	0.2
265.10455	0.5
288.05569	0.3
291.19553	0.3
323.22183	0.7
397.43570	0.2
450.10452	0.2
490.25317	0.4
490.34915	0.3
491.25714	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	2.1
58.02827	0.7
59.01251	22.4
60.01584	0.8
60.66562	0.6
61.98697	1.3
62.25478	0.6
62.29727	0.8
65.07491	0.6
68.27857	0.7
70.57396	2.2
71.01252	8.6
72.99175	2.2
73.02813	1.6
75.00751	2.0
78.95768	0.8
83.01263	1.4
85.02821	18.7
87.00772	1.1
89.02319	5.9
93.03335	0.7
94.06502	5.3
95.01238	1.0
96.95886	1.6
101.02323	6.8
103.03880	1.5
104.04914	1.5
105.01785	1.7
106.06477	1.9
111.00760	21.6
112.01127	1.1
113.02338	3.4
119.03369	1.4
123.04398	1.6
124.07578	4.8
129.01819	4.1
136.01526	0.7
143.97861	0.7
147.02896	2.4
148.03944	27.4
149.04279	0.9
152.07014	0.9
154.99779	3.1
160.03957	15.3
160.05185	2.4
161.04698	9.6
162.05511	4.3
168.06584	8.8
171.73015	0.7
173.00818	9.6
174.05467	1.3
175.02647	0.8
175.07573	4.0
182.08121	2.0
185.46964	0.8
190.02684	1.7
191.01884	3.3
193.03741	4.7
193.08693	0.8
205.04961	1.0
223.05713	0.8
226.08725	2.3
227.02403	0.9
237.06627	1.9
240.08928	1.1
253.09796	29.9
254.10135	2.9
255.11340	12.8
267.11420	11.3
283.10849	20.4
284.11230	1.8
285.12442	39.5
286.12692	3.4
293.09396	1.4
299.12903	13.5
300.13300	1.0
310.97830	0.7
311.10309	11.4
311.13373	1.4
312.10733	1.2
327.09955	7.4
327.13443	1.7
329.11380	55.5
330.11700	4.1
367.10208	1.4
371.12430	8.0
372.12503	1.3
491.16653	100.0
492.16962	11.7
502.11386	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1562
Annotation	(1S,2R)-O-Methylnyasicoside
Peak:m/z	Relative Intensity
57.03315	7.7
59.01252	49.8
68.61535	3.5
71.01257	16.4
71.18136	7.4
78.95775	7.5
89.02323	21.7
93.03338	14.8
95.01265	5.6
99.04417	5.5
101.02318	11.0
109.02834	12.8
113.02341	5.9
119.04926	6.7
121.02854	66.9
121.61114	3.2
123.00783	12.5
123.04393	4.6
124.01559	42.3
125.02363	17.7
128.03447	9.5
135.04439	4.9
137.02348	96.1
143.04659	4.5
145.02789	4.9
145.06487	7.3
147.04422	5.6
151.03912	5.5
152.99420	4.0
159.04445	9.0
161.04446	13.5
161.05972	10.8
163.03879	7.2
173.06000	6.6
177.05501	8.0
179.05663	5.0
189.05403	8.8
207.06392	4.7
223.07547	4.3
239.07074	49.1
251.07103	37.1
253.08716	8.3
262.99280	3.3
265.08841	4.0
269.08240	22.3
279.07599	3.5
279.10257	21.6
281.08215	33.8
299.09323	31.7
306.07635	5.6
311.09238	43.7
329.06543	6.5
329.10291	100.0
330.10498	7.1
461.14667	9.0
491.15567	58.2
492.15829	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	491.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	2.1
57.03319	3.9
58.00469	3.9
59.01252	100.0
60.01579	2.1
62.19394	2.0
69.03333	3.2
70.29283	6.9
71.01254	74.7
71.69876	1.7
71.87752	1.6
72.99176	7.2
73.02799	4.0
75.00757	4.9
78.95783	5.1
81.31645	1.7
83.01271	4.1
85.02808	13.4
87.00748	8.4
88.89642	1.9
89.02321	83.9
93.03333	13.5
95.01269	7.0
97.02828	4.0
98.20477	2.3
101.02325	41.3
108.02065	5.0
109.02813	7.2
112.95172	2.2
113.02331	26.8
119.03394	30.2
119.04849	2.1
121.02843	16.3
122.00664	1.8
124.01557	7.2
125.02338	19.2
128.03435	2.8
130.04128	5.3
131.03368	2.8
131.04919	5.4
133.02867	1.9
134.03589	2.3
135.04425	3.8
137.02336	14.6
143.03395	5.7
143.04837	1.6
145.02881	2.4
145.06500	4.4
147.04445	4.6
149.04463	3.8
149.05966	2.8
152.99478	6.0
157.06506	3.6
159.04451	3.7
161.04462	4.9
161.05817	2.1
163.03920	5.2
167.08366	2.1
171.04382	3.1
172.05208	1.8
173.05943	10.0
177.05405	2.2
179.05560	14.4
189.05411	3.7
205.04944	3.3
211.07565	8.3
217.04811	2.0
223.07574	9.2
227.07037	3.7
235.07523	2.7
237.05525	2.0
237.09277	4.0
239.07042	5.9
249.09163	6.0
251.07101	3.8
253.08664	7.7
255.16060	2.1
261.09229	2.6
263.07071	5.9
264.07687	2.3
265.08688	6.0
267.10141	3.9
269.08163	3.0
275.07123	3.0
279.10245	44.0
280.07590	2.1
280.10593	4.4
281.08182	66.3
282.08502	5.0
293.08191	47.5
293.10614	1.5
294.08603	3.8
311.09222	25.3
329.10541	2.1
352.97363	2.0
382.75186	1.8
427.30713	2.0
461.14404	13.3
473.14404	7.2
491.15192	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1196
Annotation	Betuletol 3-glucoside
Peak:m/z	Relative Intensity
51.24522	0.4
58.30657	0.4
59.01255	5.0
65.00195	0.7
68.19822	0.4
69.42297	1.3
69.42717	2.1
71.01242	1.8
73.02822	0.6
75.00745	0.7
85.02818	1.4
89.02323	0.8
91.40708	0.4
93.03304	0.7
95.04886	0.4
97.02831	0.6
98.19737	0.4
99.04397	0.6
101.02314	1.0
113.02312	0.7
119.04848	0.6
127.04933	0.4
147.04453	0.4
165.01871	2.8
171.10167	0.6
182.03607	0.5
198.03131	1.6
199.03918	0.4
210.03093	0.6
213.05499	0.9
214.02779	1.8
215.03407	0.5
226.02679	3.3
227.03374	1.0
241.01431	0.9
241.05034	1.4
242.02171	13.0
243.02939	5.6
244.14682	0.7
245.00761	1.2
254.02206	5.9
255.02783	0.8
257.04553	7.5
258.05292	1.1
269.04520	6.3
270.01712	12.5
270.04581	0.6
270.12656	0.4
271.02454	11.6
272.02734	0.8
285.04037	12.5
286.04736	2.8
298.01215	3.2
299.01953	16.0
300.02313	1.0
301.07098	0.6
305.17734	0.5
313.03525	66.5
314.04236	28.4
315.04779	2.2
328.05862	35.8
329.06641	100.0
330.06982	8.2
385.13937	1.0
490.21448	0.5
490.27563	0.8
491.11972	28.5
491.20630	1.6
491.27597	3.9
492.12454	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	490.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72449	2.1
59.01260	13.1
62.72371	2.2
62.81098	1.9
68.67677	2.1
70.63524	4.7
70.63918	5.4
73.81964	2.2
78.95309	4.0
78.95775	83.2
83.04893	2.3
88.65047	2.1
95.65837	2.3
99.38747	2.2
113.09599	9.1
140.01083	17.5
149.13310	4.8
152.99503	7.1
159.86775	2.1
188.44449	2.3
193.12263	46.5
194.12489	4.1
196.03720	31.4
214.04837	8.6
231.21130	9.7
275.20148	46.3
276.20340	4.9
293.21216	99.9
294.21558	8.0
314.83002	2.3
349.03638	2.4
490.25748	100.0
491.26041	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	490.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20728	0.3
57.03312	0.4
59.01247	0.8
67.77727	0.3
69.71497	1.8
69.71918	0.8
72.99177	0.6
78.95781	15.1
83.04882	0.6
99.08049	0.4
108.97463	0.3
122.00018	1.0
125.09608	0.7
139.11182	2.6
140.01100	3.3
152.99481	1.5
153.12816	1.7
154.87140	0.4
166.02713	0.5
172.52422	0.4
191.17986	3.4
196.03745	14.8
203.23691	0.4
229.19591	0.4
247.20668	2.4
248.20929	0.4
293.21234	100.0
294.21524	7.8
310.10480	0.7
324.60388	0.4
352.79956	0.4
402.94611	0.4
437.14307	0.4
490.25711	4.1
490.32559	0.8
491.25839	0.6
511.61316	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96090	1.0
57.03327	1.2
59.01244	4.0
60.21250	1.2
66.65894	1.0
69.03323	1.3
70.86803	2.9
78.95781	31.4
102.04500	1.2
121.99989	1.3
130.61902	1.2
140.01083	7.7
152.99472	4.5
171.00591	1.3
171.10219	3.2
195.13831	6.6
196.03725	8.8
196.14391	1.4
198.98911	1.1
214.04771	5.9
223.13341	6.0
228.13707	1.6
235.17009	12.6
256.13196	2.2
275.20169	25.0
276.20374	1.9
293.21234	100.0
294.21603	6.3
322.43509	1.2
447.34723	1.9
454.30530	1.6
472.31763	1.8
490.25858	45.7
490.32449	3.4
491.26126	5.0
491.33878	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	490.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	4.5
69.54604	4.0
69.55032	2.2
78.95781	30.9
92.15726	0.7
94.43359	0.6
98.20590	0.8
105.46083	0.9
113.09592	1.5
122.00018	2.0
136.56755	0.7
140.01085	9.3
144.86067	0.8
149.13248	1.2
152.99463	2.7
160.88655	0.8
177.16403	1.2
193.12292	13.5
194.12688	1.0
195.13812	8.5
196.03712	13.2
214.04790	6.5
223.13319	5.4
231.21149	2.7
256.13153	1.6
275.17108	0.8
275.20163	16.3
293.21225	100.0
294.21613	6.2
392.76508	0.9
421.18707	1.1
432.08331	0.8
490.25757	51.9
491.26160	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	490.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38171	0.4
58.59592	0.4
59.01244	1.6
62.23569	0.4
69.74396	2.9
71.01244	0.5
71.04871	0.6
75.56339	0.4
78.95778	100.0
89.61832	0.4
96.96843	7.7
98.20449	0.8
101.30347	0.5
110.98377	0.4
115.33427	0.4
122.98441	0.7
124.99992	1.7
125.19152	0.4
138.18457	0.4
140.01134	1.2
150.98016	0.5
152.99495	20.8
153.00751	1.0
157.08617	0.5
163.07646	0.4
167.00996	0.5
171.00558	22.5
182.02199	1.8
183.13837	1.6
191.07091	0.7
196.03700	1.2
197.02122	1.5
207.13660	0.6
211.13385	0.6
214.04822	1.4
235.17075	2.1
249.18501	0.6
252.84929	0.5
261.18622	0.5
268.05811	0.7
275.20047	3.2
291.19724	0.7
293.17935	0.9
293.21231	10.8
294.21570	1.2
321.24371	0.6
323.22229	0.8
335.18411	0.8
341.81348	0.5
352.15372	0.7
378.16833	1.0
392.18488	5.5
398.28345	0.5
406.91098	0.4
408.17343	0.4
416.21988	1.8
421.18845	1.1
489.32376	1.2
489.68027	0.6
490.25815	73.8
490.32233	4.1
491.26080	8.0
491.33780	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	489.3585
Annotation	Cycloastragenol
Peak:m/z	Relative Intensity
57.03326	0.3
59.01231	0.6
68.98959	0.2
83.19995	0.2
93.03352	0.6
141.01175	0.2
248.40431	0.2
303.98047	0.2
383.20956	0.4
407.17514	0.6
417.34457	0.2
471.34827	0.7
489.35886	100.0
490.36261	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	490.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86292	0.2
56.54824	0.2
59.01226	0.2
64.00541	0.3
65.16653	0.2
65.99715	1.5
87.84709	0.2
96.47382	0.2
98.19815	0.4
101.05956	100.0
102.06296	2.7
108.01905	1.1
121.09859	0.2
124.07555	2.6
125.07094	0.4
125.07893	0.2
126.99449	13.4
127.99809	0.5
149.07159	0.3
152.08153	0.3
153.06592	2.8
164.08203	1.0
165.09023	0.3
166.09749	1.6
176.08286	0.4
208.13416	0.4
212.70453	0.2
234.06856	10.4
235.07210	0.6
250.15578	19.1
251.15891	1.7
252.63513	0.2
257.63583	0.2
260.13980	0.2
261.08032	1.1
266.15070	20.7
267.15466	1.5
278.15088	0.3
292.08588	0.7
299.09949	0.2
314.25314	0.2
334.21417	0.5
350.20776	0.2
361.13239	1.9
388.14526	0.3
434.59729	0.2
490.20840	1.9
491.20813	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95981	1.1
57.03313	2.4
59.00952	2.2
59.01251	34.4
66.51089	1.7
70.02786	1.3
70.63091	3.6
71.01250	25.2
72.99168	3.0
73.02813	2.7
75.00708	1.6
78.95755	7.0
82.50439	1.3
83.01273	2.4
85.02811	6.5
87.00758	2.1
89.02312	14.0
93.03349	1.4
95.01251	1.9
96.96862	1.4
97.06466	1.7
101.02323	9.4
113.02337	6.5
119.03380	3.0
125.09628	1.5
125.16700	1.1
137.09615	2.1
146.08148	2.1
152.99475	4.8
171.10146	6.0
174.87512	1.2
177.12756	1.3
185.11746	5.2
197.11755	2.6
201.11203	3.4
209.11723	2.4
211.13332	14.8
221.11783	2.4
229.14363	3.7
239.12883	1.9
239.16446	2.4
245.15329	1.3
253.14381	2.0
277.12115	2.7
291.19635	7.3
307.70224	1.2
309.20663	8.2
314.62057	1.2
327.21799	20.2
328.22113	1.5
341.16217	1.2
360.32684	1.2
395.65979	1.2
471.31149	3.5
489.26910	100.0
490.27408	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	489.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92351	0.9
59.01253	16.5
69.37440	9.4
70.46278	0.9
71.01257	12.4
72.99181	1.4
73.02827	2.1
75.00721	1.3
78.95766	4.2
83.01259	1.4
85.02817	7.1
87.00703	1.4
89.02328	5.9
95.01274	1.6
95.04869	1.6
97.06458	1.3
99.00792	1.1
99.04403	1.2
101.02326	12.3
110.96368	0.9
111.08035	1.0
113.02296	5.3
119.03353	1.8
119.61282	1.0
121.02779	1.1
125.09601	1.6
126.18587	0.9
127.11147	1.7
129.02020	1.0
137.09572	1.4
146.08110	2.8
152.99478	2.4
155.10718	4.8
161.04520	1.3
164.04622	1.5
165.12724	1.5
167.14253	1.3
171.10165	13.8
179.10587	1.2
183.13809	1.8
185.11678	1.8
187.19934	0.9
193.08533	1.0
197.11806	1.3
201.11243	1.1
206.90567	0.9
209.11903	2.2
211.13362	11.4
221.11476	1.3
227.12868	1.1
229.12350	1.6
229.14426	25.1
239.12758	1.4
249.14909	3.3
253.14284	1.5
265.18137	1.3
275.12881	3.3
276.13568	2.8
277.12061	1.5
291.19604	7.2
308.12674	2.2
309.20642	6.4
311.21973	1.7
327.21735	21.6
328.22037	1.9
335.84824	1.0
369.22382	2.1
391.19669	2.2
459.18146	3.3
471.25583	1.6
471.31451	1.8
489.26913	100.0
490.27316	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.07468	6.6
61.54435	6.4
68.87789	5.8
69.03303	7.0
71.01259	62.1
71.58683	12.5
72.99156	13.7
73.02838	6.2
78.95762	6.4
80.96360	11.4
83.01231	6.8
85.02828	18.5
87.00773	9.7
89.02312	72.1
96.95886	9.2
97.02824	32.0
99.47932	7.0
101.02318	23.4
113.02329	10.2
126.99406	8.9
137.17305	6.7
161.04446	7.6
171.10168	18.9
179.05492	21.8
181.60368	6.8
209.11688	9.6
267.09409	13.0
291.19547	33.9
309.10190	11.8
309.20682	63.6
321.10196	10.5
321.51483	7.2
407.17487	37.3
425.70490	6.8
489.32700	59.7
490.32745	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	489.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71841	2.6
59.01250	31.1
69.03326	6.2
69.94716	15.2
71.01260	25.5
71.04884	3.6
75.00745	2.9
78.95781	100.0
85.02805	3.2
89.02316	27.9
96.96829	8.7
98.20517	3.6
101.02338	6.9
113.02322	5.8
119.03387	5.1
121.06439	2.9
124.99915	3.6
152.99480	24.8
153.89270	2.7
171.00545	22.8
179.05447	5.2
183.07881	2.5
191.76253	2.5
215.16483	14.8
223.16867	5.3
245.15372	3.9
247.17047	7.2
275.20175	4.5
277.14539	2.7
291.19647	7.3
293.21204	22.5
309.20718	12.8
387.29187	14.1
389.16428	7.8
392.18515	3.7
407.17429	13.1
413.27002	4.3
445.33270	12.1
471.31268	17.4
489.25479	2.7
489.32544	45.3
490.25897	63.4
490.32553	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	489.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71841	2.6
59.01250	31.1
69.03326	6.2
69.94716	15.2
71.01260	25.5
71.04884	3.6
75.00745	2.9
78.95781	100.0
85.02805	3.2
89.02316	27.9
96.96829	8.7
98.20517	3.6
101.02338	6.9
113.02322	5.8
119.03387	5.1
121.06439	2.9
124.99915	3.6
152.99480	24.8
153.89270	2.7
171.00545	22.8
179.05447	5.2
183.07881	2.5
191.76253	2.5
215.16483	14.8
223.16867	5.3
245.15372	3.9
247.17047	7.2
275.20175	4.5
277.14539	2.7
291.19647	7.3
293.21204	22.5
309.20718	12.8
387.29187	14.1
389.16428	7.8
392.18515	3.7
407.17429	13.1
413.27002	4.3
445.33270	12.1
471.31268	17.4
489.25479	2.7
489.32544	45.3
490.25897	63.4
490.32553	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	489.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	72.7
69.03341	8.7
69.59411	40.4
71.01257	19.9
75.00726	7.4
75.35903	5.7
78.00577	5.7
78.95785	28.5
85.28371	5.8
86.23836	5.1
89.02325	29.1
95.77816	5.6
101.02333	8.8
111.08082	5.8
113.02309	8.0
119.03423	5.6
129.07004	5.7
152.99504	6.1
174.99162	7.0
179.05481	8.8
196.03798	10.9
197.11778	20.6
217.00270	16.8
240.35048	6.1
265.07684	9.9
267.09113	14.4
291.19745	9.1
293.21237	87.1
309.10202	100.0
309.20697	26.7
310.10483	7.8
407.13885	22.1
489.32169	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	489.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95981	1.1
57.03313	2.4
59.00952	2.2
59.01251	34.4
66.51089	1.7
70.02786	1.3
70.63091	3.6
71.01250	25.2
72.99168	3.0
73.02813	2.7
75.00708	1.6
78.95755	7.0
82.50439	1.3
83.01273	2.4
85.02811	6.5
87.00758	2.1
89.02312	14.0
93.03349	1.4
95.01251	1.9
96.96862	1.4
97.06466	1.7
101.02323	9.4
113.02337	6.5
119.03380	3.0
125.09628	1.5
125.16700	1.1
137.09615	2.1
146.08148	2.1
152.99475	4.8
171.10146	6.0
174.87512	1.2
177.12756	1.3
185.11746	5.2
197.11755	2.6
201.11203	3.4
209.11723	2.4
211.13332	14.8
221.11783	2.4
229.14363	3.7
239.12883	1.9
239.16446	2.4
245.15329	1.3
253.14381	2.0
277.12115	2.7
291.19635	7.3
307.70224	1.2
309.20663	8.2
314.62057	1.2
327.21799	20.2
328.22113	1.5
341.16217	1.2
360.32684	1.2
395.65979	1.2
471.31149	3.5
489.26910	100.0
490.27408	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	489.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31301	0.4
57.03324	0.9
59.01250	100.0
60.01585	1.0
61.98701	1.3
63.02275	0.4
65.33094	0.3
71.58043	0.6
72.99180	0.6
73.02820	0.8
75.00759	0.5
83.01279	1.0
85.02824	7.0
86.03182	0.4
89.02318	0.9
93.03356	1.4
96.95894	0.4
101.02332	1.4
107.01244	1.7
108.02088	0.5
109.02867	0.8
111.00777	0.9
113.02319	0.7
116.92776	0.4
119.03413	0.4
121.02889	0.4
129.01831	0.4
132.02092	1.2
133.02852	0.8
133.04990	0.5
135.00766	1.0
135.04456	0.4
143.04929	0.5
147.02888	1.4
151.00267	1.2
153.01848	0.5
159.04410	1.2
161.04521	0.3
163.00291	2.2
164.01031	0.6
167.04903	0.6
169.06564	0.5
171.04443	0.6
172.04974	0.4
173.00842	0.6
177.15010	0.4
178.99940	0.4
183.04417	1.0
185.02393	0.6
185.05962	1.9
187.03867	2.1
189.05475	1.0
191.01941	2.3
192.02206	0.3
195.04523	0.7
196.16005	0.3
197.06003	0.6
199.03967	1.1
200.04524	0.5
210.01331	0.3
210.03239	0.4
211.03957	3.1
211.13362	0.4
212.04765	0.5
213.02074	0.3
213.05530	1.8
214.02699	0.3
227.03445	30.6
228.03798	2.9
229.05019	8.4
230.05371	0.5
239.03387	1.7
240.04173	0.8
241.05020	1.2
255.02962	64.9
256.03415	6.3
257.04529	5.0
258.04977	0.7
267.02979	0.9
283.02463	0.8
284.03256	69.8
285.04013	78.1
286.04379	7.3
286.07425	0.6
327.05099	0.6
387.20160	0.9
429.21768	0.4
489.10367	27.7
489.26730	1.0
490.10690	4.2
490.17523	0.5
510.69196	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13499	0.3
56.46032	0.3
57.03343	0.7
58.02861	0.5
59.01250	100.0
60.01574	1.0
68.00600	0.3
69.03311	0.3
70.02842	1.8
70.23829	1.6
71.01249	2.5
71.04885	2.2
73.02843	0.5
73.65866	0.3
75.00758	1.0
78.95777	0.5
79.95630	0.3
83.01258	0.4
85.02827	1.7
87.00755	0.4
87.05527	1.0
88.90480	0.4
89.02332	1.3
93.03349	0.5
95.01260	0.4
99.00774	0.3
99.04414	0.9
101.02338	1.3
113.02350	0.8
116.07133	0.4
119.03403	0.3
119.04912	0.4
121.02851	0.4
125.09617	0.4
129.05537	0.3
130.03259	1.2
146.08133	13.0
147.05850	0.6
147.08507	0.4
166.67265	0.3
167.42628	0.3
179.66945	0.3
183.01135	3.5
185.11780	0.8
197.11821	1.0
198.23994	0.4
209.02744	1.0
209.11836	0.7
210.03479	0.6
213.16811	0.3
217.11906	2.7
217.20644	0.3
223.64401	0.3
225.09247	1.3
239.07458	0.3
248.40166	0.3
273.18948	0.3
277.12265	17.0
278.12631	1.1
285.20688	2.0
291.19717	1.1
309.15268	1.7
309.20660	1.8
327.16257	1.1
327.21790	2.2
396.16055	0.3
429.24936	1.0
447.26144	2.2
488.18405	0.4
489.21722	11.0
489.27383	7.4
490.21802	1.8
490.27866	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54264	0.3
57.03333	0.6
59.01250	100.0
60.01593	0.6
60.83014	0.3
71.01257	3.9
71.57723	0.5
72.99199	0.5
73.02840	1.1
78.95773	2.5
83.01283	0.8
85.02826	2.5
87.00773	0.5
89.02328	1.2
93.03344	0.9
95.01284	0.3
95.04934	0.5
97.06506	0.7
99.00774	0.6
101.02345	2.7
110.06777	0.3
111.00775	0.6
113.02339	1.6
119.03438	0.5
121.02861	1.1
122.05997	0.8
126.99488	0.5
132.04413	0.3
133.04956	0.5
137.47685	0.3
143.03442	0.4
152.07071	2.5
154.58102	0.3
158.12041	0.3
161.04500	1.0
165.82803	0.3
171.00604	0.3
171.10100	0.4
176.03601	0.4
181.06592	0.7
183.01227	0.4
190.04988	2.1
191.01944	0.3
209.11812	0.9
239.76797	0.3
241.71359	0.4
253.09380	0.5
253.18115	0.8
327.22113	0.3
345.29944	0.6
355.12936	2.0
387.20016	0.4
403.27014	0.9
429.25107	1.8
447.26120	2.0
448.26291	0.4
453.20355	4.5
454.20840	0.7
472.26382	0.5
489.15100	0.6
489.27313	7.8
489.33881	0.7
490.20770	1.1
490.27628	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
69.46638	23.6
69.63014	3.0
71.01257	31.1
72.99180	5.2
73.02821	23.9
78.95759	6.2
85.02824	11.6
87.00764	8.3
87.04343	3.0
89.02312	21.9
91.81305	2.8
96.95906	3.6
98.19797	5.9
101.02328	52.2
103.03870	16.1
103.25047	2.8
113.02331	4.1
115.03883	5.4
116.04996	3.2
119.03394	11.6
119.46506	2.8
125.02380	3.0
126.40927	2.8
128.03453	3.6
131.03371	8.9
134.03654	2.9
141.04398	2.6
143.03389	13.0
143.04485	4.1
145.04971	8.5
161.04469	3.4
161.08025	5.2
163.06030	66.3
203.08182	6.8
205.07191	20.4
253.08652	2.9
269.51743	2.9
309.12268	3.4
429.17566	11.3
456.31842	3.1
489.17206	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	489.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	8.7
58.00463	3.5
59.01255	100.0
71.01257	74.0
72.99188	5.4
73.02814	2.6
74.18843	1.3
78.95756	7.8
83.01265	2.2
85.02832	10.9
86.10178	1.4
87.00767	5.0
89.02319	88.0
95.01264	4.3
99.04402	4.8
101.02328	33.7
108.02070	7.6
110.39961	1.8
113.02335	28.2
116.92814	2.5
119.03397	33.9
121.02852	4.2
123.04427	11.9
125.02357	2.9
130.04132	5.3
131.03410	5.7
143.03413	10.2
145.06541	9.1
149.04459	3.4
152.99493	3.4
161.04482	6.9
173.06018	20.6
179.05576	19.1
181.03291	1.5
181.60085	1.5
183.07745	2.3
183.10172	9.4
227.06682	3.5
235.07686	2.3
255.03015	3.9
261.05637	5.0
263.07166	2.8
264.07867	5.6
265.08682	2.1
265.35049	1.6
268.61017	1.6
279.10248	10.5
284.03149	3.2
285.04187	2.9
309.07834	2.7
309.11246	17.0
310.11536	2.3
351.12463	3.3
471.16821	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	489.1765
Annotation	Campenoside
Peak:m/z	Relative Intensity
54.15303	0.5
57.03322	2.2
59.01250	14.9
67.47552	0.5
67.63102	0.6
68.02405	2.4
69.03340	1.0
70.16637	0.5
71.01254	6.7
71.34780	1.0
72.99194	0.9
73.02807	2.4
74.02338	0.5
83.01268	1.1
85.02823	6.5
87.00747	0.7
89.02323	1.4
93.03353	0.7
95.01290	1.2
96.95885	0.6
99.00762	1.1
99.04385	1.4
101.02326	4.8
108.01994	0.5
111.00774	3.4
113.02314	3.4
119.04941	1.0
121.02841	91.3
122.03210	3.0
129.01903	0.8
134.03590	0.9
136.01556	40.0
137.02411	1.2
145.06549	0.8
147.04402	1.3
151.03912	67.5
152.04260	3.2
152.99519	0.5
154.45221	0.5
159.03044	0.8
159.04387	0.9
160.05220	0.9
161.02345	0.6
161.04482	3.0
163.03929	1.2
164.84181	0.6
173.00793	0.8
173.05969	0.7
175.07518	0.9
187.03859	0.5
191.01941	1.2
203.54195	0.5
209.03020	0.8
209.11775	0.7
211.12239	0.5
225.15036	1.0
226.02069	0.7
281.11862	1.2
283.11868	0.9
312.10013	2.5
327.12350	100.0
328.12717	10.3
369.19211	2.5
383.07736	0.6
385.68143	0.5
387.20163	2.0
388.76263	0.7
429.21332	1.2
489.19382	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	3.1
69.22742	20.2
71.01253	2.0
78.95779	55.1
88.79139	1.6
96.96838	12.7
127.11171	7.5
128.03497	3.5
133.04961	2.4
143.04407	1.9
152.99492	57.3
157.07333	1.7
165.94351	2.1
171.10225	3.5
173.11749	100.0
174.12135	3.1
241.01170	31.6
309.11105	9.7
315.04837	9.3
327.12228	2.7
470.71884	1.9
489.17429	96.2
490.17737	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	489.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	2.8
71.01254	3.9
71.57078	2.4
72.99168	2.5
78.95780	43.5
79.12605	2.0
79.39058	1.9
90.38221	1.9
96.95888	2.2
96.96836	8.1
113.03468	2.9
127.11162	7.6
152.99490	78.9
171.10262	2.5
173.11752	100.0
174.12053	4.3
223.00122	8.0
241.01155	19.2
315.04953	12.4
348.16876	2.4
433.06174	2.2
447.66925	2.1
489.17410	96.3
490.17752	5.7
513.77740	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1038
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
59.01250	5.0
60.85852	0.2
63.02269	0.5
65.00199	0.5
69.35912	0.4
69.36322	1.3
75.37946	0.2
80.12214	0.2
83.01257	0.5
85.02836	0.4
86.97124	0.1
89.02280	0.1
89.46658	0.2
91.01766	0.3
93.03334	1.2
101.02335	0.2
107.01273	2.1
109.02835	0.7
121.02855	0.3
127.87505	0.2
132.02052	1.4
135.00787	1.9
136.01685	0.2
137.02328	0.3
141.06914	0.2
143.04903	0.9
144.57983	0.2
145.02852	0.4
145.06462	0.2
149.12206	0.2
151.00262	1.8
152.48366	0.2
153.01813	0.7
154.04176	0.2
155.04922	0.2
157.06520	0.6
159.04408	0.8
163.00287	2.4
164.01044	0.5
165.01808	0.2
167.04910	0.7
169.01440	0.2
169.06454	1.0
171.04445	0.6
173.02380	0.2
173.05913	0.2
183.04466	0.9
185.02469	0.4
185.06038	1.6
187.03889	2.3
188.04175	0.3
189.05492	0.7
190.99745	0.3
195.04454	0.6
197.06044	0.9
199.03929	1.1
200.04744	0.5
201.05457	0.5
208.00066	0.2
211.03955	2.5
212.04581	0.3
213.05444	1.5
214.02394	0.3
215.03452	0.3
217.04927	0.3
227.03444	30.6
228.03822	2.2
229.05009	9.4
230.05334	0.5
239.03471	1.4
240.04155	0.7
241.05019	1.3
243.02998	0.2
255.02957	62.9
256.03452	7.7
257.04526	6.3
258.04938	0.4
267.02985	1.0
283.02435	0.6
283.05640	0.2
284.03247	85.6
285.03995	100.0
286.04382	7.5
327.05096	0.6
357.74048	0.2
360.42950	0.2
489.10364	37.1
490.10712	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	488.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59553	0.9
56.15154	0.8
59.01250	1.7
71.58064	1.6
78.95776	27.8
138.01996	0.8
150.61151	0.9
152.99498	3.8
154.02663	5.5
210.05331	14.0
228.06447	2.3
251.20081	1.0
252.20461	2.1
257.60654	1.0
277.21725	100.0
278.22079	7.1
302.02875	0.9
436.10931	1.1
488.27835	21.1
489.28122	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	488.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59266	1.2
57.03327	10.8
59.01253	8.3
69.03320	1.3
69.87705	3.0
69.88106	5.7
71.04909	2.8
73.51618	1.2
78.95780	45.7
83.04908	1.4
85.06477	1.5
97.06475	4.4
98.20486	1.3
111.08050	3.1
113.09606	38.4
119.08551	1.5
121.10134	3.5
122.00071	2.4
125.62656	1.3
134.63872	1.2
139.11176	13.9
140.01086	10.1
142.91360	1.4
152.99474	6.0
162.83884	1.7
163.07680	1.8
165.12785	3.2
177.09117	4.7
193.12227	2.1
196.03741	18.7
214.04807	8.2
247.20599	8.6
261.18546	1.8
271.01096	1.4
291.19678	100.0
292.20023	7.5
293.21268	1.9
408.31998	1.5
445.33206	1.5
470.30081	2.1
471.31165	2.5
488.24313	39.4
488.30988	4.2
489.25040	2.9
489.32315	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	488.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86356	0.5
57.03324	0.7
59.01253	2.7
62.96324	0.4
71.01257	1.7
71.04885	0.6
71.57005	0.6
71.57394	0.7
73.02834	0.7
78.95779	59.9
83.04901	0.5
87.00750	0.5
96.96847	7.7
101.02306	0.7
107.58776	0.4
117.52199	0.4
150.97945	1.1
152.99493	100.0
153.99857	1.2
171.00441	0.8
239.16461	2.2
240.54425	0.4
247.16948	0.9
283.13287	0.7
291.19791	0.7
309.20715	0.7
315.04813	0.5
331.03363	0.5
398.84338	0.5
403.26987	0.5
406.22711	0.5
436.04236	0.5
471.31219	1.3
488.24216	37.4
488.30411	1.6
489.25388	3.9
489.31839	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	488.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26852	0.9
55.82584	0.9
56.75454	0.8
57.03329	7.2
59.01257	5.5
70.98628	2.4
71.01249	1.0
71.04881	5.0
71.66291	0.8
76.38862	1.0
78.95780	14.5
83.04871	1.0
89.02312	1.0
97.06475	2.8
100.65765	0.9
103.69967	0.9
107.72539	0.8
107.92410	0.8
109.74667	0.8
113.09612	33.8
114.09999	1.7
121.10135	3.5
121.99957	1.0
133.10083	1.4
139.11192	9.8
140.01051	6.0
149.13248	0.9
152.99452	2.1
165.12762	2.8
177.09138	3.7
193.12407	1.1
193.15974	0.9
196.03700	4.6
204.03435	1.1
214.04811	8.5
247.20699	8.1
291.19669	100.0
292.19962	7.8
346.14108	1.8
488.24191	14.8
488.30725	1.8
489.24844	1.4
489.32233	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	488.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	2.2
71.01261	1.4
71.58414	0.9
72.99162	0.6
76.52546	0.5
78.95779	60.2
85.02866	0.6
96.96838	8.6
97.06499	0.7
101.02303	0.9
110.98412	0.7
121.02856	1.2
123.08037	0.5
125.09615	0.8
137.00027	0.6
147.04395	1.0
150.97910	1.8
152.99495	100.0
153.99802	1.1
171.00565	1.1
239.16521	1.7
243.13831	0.7
291.19724	1.6
309.20825	1.1
347.11536	0.8
395.26093	0.8
397.27145	0.7
453.30673	0.8
470.29523	0.8
471.31390	1.4
488.24197	40.1
488.29465	1.5
489.25378	4.2
489.32449	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28783	0.3
59.01260	3.0
71.01242	1.5
71.58216	0.5
73.02803	0.4
78.95776	100.0
85.02800	0.7
87.00749	1.0
89.02316	1.2
93.00629	0.4
93.03352	0.5
96.96836	8.5
101.02330	1.6
101.05942	0.6
113.02352	0.6
113.13171	0.4
114.75043	0.3
117.03349	0.4
119.03436	0.4
119.04947	0.8
121.02832	0.6
128.65082	0.3
132.08398	0.4
140.01083	0.9
145.02843	0.8
152.99490	19.8
161.04515	0.4
171.00554	20.1
195.13768	0.4
223.16922	1.0
224.17343	1.4
233.15405	1.0
234.15739	1.5
241.49290	0.5
249.14883	0.8
251.16521	6.7
252.16811	8.9
253.09258	2.5
253.18259	1.8
254.09589	1.1
313.03143	0.4
324.12241	0.8
327.21503	0.4
329.15714	0.5
329.21234	0.8
414.20496	1.4
415.20691	0.4
429.24603	0.7
447.25812	2.0
488.24185	60.1
489.24612	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	488.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	6.9
67.35229	0.6
69.03317	1.3
69.63423	2.6
69.63830	1.4
71.01247	1.6
71.04911	0.8
75.00714	0.7
76.06483	0.5
78.95779	37.6
85.02834	0.8
96.96837	1.6
97.06466	1.1
98.19868	0.8
101.02292	0.7
109.06481	0.9
119.04978	0.6
121.02795	0.6
121.10119	0.7
122.00019	1.4
140.01094	9.5
148.08832	1.4
151.11169	1.3
152.99504	11.1
165.12775	17.6
166.13065	1.2
167.10712	0.6
175.11270	0.6
193.12276	8.5
195.13779	0.6
196.03737	12.0
213.77162	0.6
214.04790	6.3
221.11871	1.2
225.14957	1.0
229.19589	2.0
231.60966	0.6
233.15457	0.7
234.80545	0.6
245.15460	1.4
247.20633	8.8
259.13315	0.6
261.15137	0.7
263.16556	1.1
273.18597	10.9
274.18866	0.7
291.19669	100.0
292.20001	7.5
430.20340	0.9
470.29456	1.0
471.31161	1.9
488.24216	41.6
488.30869	2.8
489.24539	4.8
489.32202	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	488.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.7
59.01250	19.8
60.01587	0.5
61.98708	0.9
68.02407	100.0
68.66430	0.3
69.02120	0.6
69.02747	1.2
69.12078	0.3
71.01246	2.7
71.57445	0.3
71.57921	0.4
73.02812	3.1
75.00754	0.6
75.04729	0.3
78.87987	0.3
78.95770	1.1
79.56328	0.4
83.01246	0.7
85.02821	3.9
86.03143	0.5
89.02305	0.5
99.00764	0.4
101.02327	1.8
111.00755	2.6
113.02360	0.6
119.03398	0.4
121.02842	5.5
136.01540	3.1
137.09598	2.5
138.09935	1.1
141.98193	2.0
147.02847	0.4
151.03899	3.9
152.99541	1.4
161.04468	1.0
163.11160	0.9
173.00752	0.6
182.53467	0.4
191.01837	0.9
194.02939	0.4
205.12265	3.0
206.12671	1.7
209.11732	2.6
210.12082	1.6
224.02260	53.1
225.02600	2.9
227.03445	0.4
249.21362	0.3
255.03046	0.5
284.03271	0.6
285.03989	0.6
297.11478	0.5
309.11331	0.4
327.12344	5.8
369.19366	0.4
426.17764	0.4
456.17242	0.5
487.19589	0.8
488.19839	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	487.3427
Annotation	Rubianol a
Peak:m/z	Relative Intensity
57.03308	0.4
57.26926	0.3
59.01247	2.6
59.24819	0.4
61.98690	0.6
71.01247	0.9
83.04858	0.3
96.01885	0.4
101.02277	0.5
115.48043	0.3
145.42433	0.3
164.83565	0.6
251.20067	0.9
291.19754	0.6
298.70206	0.4
341.84293	0.3
355.10519	0.4
403.30084	0.6
409.30801	0.4
421.31113	9.9
422.31329	1.5
439.32199	8.1
440.32394	1.4
457.33099	0.6
469.33212	19.6
470.33566	2.9
484.27112	0.4
487.34280	100.0
488.34650	15.6
488.41785	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3424
Annotation	Rubianol a
Peak:m/z	Relative Intensity
57.03328	0.7
59.01247	2.4
65.74221	0.6
71.01249	1.1
71.58240	0.6
73.02805	1.6
154.40346	0.7
178.87509	0.7
311.16888	1.2
323.16928	0.9
325.18304	1.5
365.65677	0.7
381.27469	0.7
403.30240	1.1
413.30597	5.3
421.31113	18.0
422.31454	2.3
439.32111	3.8
440.32394	0.7
457.32977	3.5
469.33151	6.9
470.33505	0.8
487.34296	100.0
488.27939	1.2
488.34631	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	487.343
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
57.03324	0.3
59.01250	3.0
61.98674	0.6
68.02406	0.4
71.57643	0.3
93.03349	0.4
125.09609	0.2
126.15676	0.3
126.99529	0.3
139.77089	0.2
209.99519	0.2
219.92664	0.3
230.72305	0.2
336.93417	0.3
380.49533	0.2
405.15900	0.5
439.32187	0.7
457.33319	1.5
469.33307	2.3
470.33405	0.6
487.34274	100.0
488.34604	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94188	3.5
57.03327	5.3
59.01247	35.1
65.03815	8.8
70.99569	8.5
71.01254	30.7
71.04893	18.4
78.95766	30.0
82.54851	3.4
89.02315	25.1
90.50034	3.2
97.06502	17.7
101.02329	6.6
101.50481	3.3
113.02393	8.6
113.09593	13.5
119.03370	4.2
121.06492	10.4
139.11221	3.6
140.01147	6.3
152.99477	4.6
179.05548	8.4
185.11757	11.2
196.03740	10.4
209.11703	4.7
211.13330	6.0
214.04803	3.7
235.13344	11.0
237.73198	3.5
267.69775	3.5
289.18103	4.4
291.19672	100.0
307.19061	18.0
345.13794	22.2
487.30127	5.7
488.24316	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38652	4.8
57.50385	5.0
59.01254	100.0
68.02397	8.7
71.01254	57.0
71.57999	6.5
72.99176	6.8
73.02824	14.1
75.00766	5.4
78.95784	25.4
83.01224	5.1
85.02814	26.4
89.02316	13.9
90.37226	5.2
93.03331	5.3
96.95880	6.8
99.00783	6.9
101.02332	37.7
113.02353	29.6
115.79486	4.8
119.03423	6.1
126.99458	10.8
133.02849	5.7
134.67903	5.3
147.21332	5.8
161.04466	23.8
171.10127	11.3
209.11607	6.0
251.16496	6.8
264.88364	6.1
485.92850	6.0
487.25647	5.3
487.33035	23.8
488.24268	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55386	7.6
59.01246	100.0
59.45129	8.2
60.63434	8.4
71.01257	26.2
73.02787	11.9
83.01269	12.6
85.02824	24.6
98.19795	37.6
101.02302	17.2
102.06305	9.5
113.02329	10.7
141.62219	8.7
202.65125	8.9
218.83727	9.5
229.71700	9.5
238.26016	8.9
245.36612	10.7
331.48245	9.5
487.25195	28.7
487.32684	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	487.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01595	1.0
61.98697	0.2
71.01243	1.7
71.57956	0.3
71.86524	0.3
72.01601	0.3
73.02830	0.6
78.95795	0.7
83.01280	0.3
85.02837	1.0
89.02341	0.7
99.00803	0.4
101.02325	1.5
113.02335	0.7
121.02827	0.3
125.09533	0.2
140.36697	0.3
143.03339	0.3
144.72404	0.2
161.04523	0.5
183.82130	0.3
207.08156	0.3
208.08910	1.3
223.11235	27.9
224.11578	2.4
301.53638	0.3
486.32364	0.4
487.23511	0.6
487.32886	0.9
488.24069	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09478	1.0
53.53373	1.0
59.01254	100.0
60.01572	1.4
69.81996	2.1
69.82418	4.1
71.01250	4.3
73.02822	1.9
78.09578	0.9
78.95791	4.0
83.01262	1.4
85.02831	1.6
89.02323	1.4
93.03341	2.9
96.95912	1.3
96.96835	1.9
98.19861	1.2
98.73323	1.0
101.02324	3.4
113.02357	2.8
121.02877	1.8
133.82655	1.1
145.59627	1.0
152.99504	4.2
171.10176	4.2
183.81195	1.0
220.71771	1.0
226.02715	1.0
232.37140	1.1
265.08746	5.7
283.09665	1.1
427.10938	5.0
487.15955	3.8
487.25204	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	485.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.8
59.01249	1.6
61.98693	0.4
69.60735	0.2
71.01261	0.7
71.50341	0.2
75.25660	0.2
81.03368	0.3
85.02831	0.8
97.06506	0.2
97.57005	0.2
107.62042	0.2
111.00806	0.2
112.75874	0.2
131.26509	0.2
147.02863	0.2
151.97215	0.2
172.87949	0.4
205.42073	0.2
342.14249	0.2
347.27481	0.3
363.30496	0.5
375.30762	0.6
377.28320	0.3
393.31732	0.3
437.30469	0.8
455.31647	2.0
456.31955	0.4
467.31631	2.5
468.32455	0.5
470.02194	0.2
483.31262	0.3
485.32721	100.0
486.33069	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	485.3272
Annotation	Acerinol
Peak:m/z	Relative Intensity
55.01751	0.8
57.03328	0.7
59.01242	0.5
59.13987	0.3
60.05035	0.3
71.04907	0.3
71.57656	0.5
73.02817	48.4
74.03164	0.7
78.95763	0.3
85.02819	0.7
92.90487	0.3
95.03564	0.2
97.06445	0.8
106.04375	0.2
117.01780	0.5
123.08019	0.3
191.01961	0.3
219.07574	0.3
268.80194	0.3
311.16940	0.5
367.26370	1.9
393.28082	0.6
405.31619	1.2
406.31839	0.3
421.30933	1.4
423.32523	2.1
424.33438	0.3
441.30127	3.5
442.30032	0.7
467.31827	1.6
485.32675	100.0
486.33060	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3121
Annotation	Discarine F
Peak:m/z	Relative Intensity
50.44191	0.6
52.07081	0.7
55.01762	6.2
57.03328	7.1
58.00481	1.0
59.01254	33.0
69.03313	1.3
69.34193	0.9
69.34590	5.5
71.01257	100.0
72.01608	1.8
72.99183	2.6
73.02823	31.2
75.00749	2.0
83.01261	13.6
84.02055	0.9
85.02827	45.7
87.00742	3.5
87.04400	3.4
89.02322	13.0
95.01266	8.1
97.02852	2.8
99.00761	14.0
101.02326	55.3
102.02673	0.7
111.00786	1.9
113.02332	44.0
114.02673	0.6
116.48181	0.6
119.03406	5.7
125.02347	2.7
129.01837	2.6
142.90967	0.6
143.03383	4.4
152.99576	0.8
159.02907	9.5
161.04466	46.5
162.04758	1.2
169.18225	0.6
179.05557	1.2
205.03596	2.1
208.24571	0.7
249.14922	5.2
253.09019	0.9
323.25818	3.6
485.31216	51.7
486.31369	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	485.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15042	2.4
59.01255	100.0
63.85721	2.8
70.12453	13.0
76.84127	2.5
78.95770	6.0
88.49314	2.5
93.03310	5.5
96.95901	4.2
98.19910	3.9
120.05536	2.6
122.69566	2.5
219.13828	3.0
277.21866	3.2
353.21213	10.3
368.63626	2.9
375.23267	5.1
393.24396	22.1
411.25403	15.0
467.27826	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	485.3117
Annotation	Discarine F
Peak:m/z	Relative Intensity
55.01758	4.8
57.03328	4.5
58.00463	3.6
59.01254	49.3
59.98545	1.7
70.09560	6.3
71.01256	100.0
72.99195	3.5
73.02822	25.1
78.95796	2.1
83.01250	10.0
83.12628	1.5
85.02827	36.7
87.00778	4.1
87.04377	2.4
88.65385	1.4
89.02322	34.7
95.01270	7.3
99.00758	11.9
101.02324	62.7
112.99636	1.7
113.02338	39.8
116.89140	1.6
119.03398	14.3
119.85249	1.4
121.02805	1.6
129.01785	2.1
129.45023	1.6
131.03387	1.8
143.03392	6.6
158.15630	1.6
159.02896	6.4
161.04471	41.0
162.83856	2.0
179.05505	4.7
205.03476	2.2
236.85915	1.8
239.16353	1.6
252.69118	1.7
273.47250	1.6
403.15500	2.1
445.29065	1.9
485.24493	2.7
485.31223	42.7
486.31659	5.6
508.57642	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	485.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22270	1.4
57.03319	8.3
59.01253	100.0
61.27120	1.7
61.98701	3.1
71.01264	11.7
71.28935	3.8
73.02827	4.6
75.00751	3.6
81.03335	3.6
83.01276	5.0
85.02821	42.1
86.03143	1.7
89.02321	4.4
93.03335	6.3
99.00768	2.3
101.02314	5.8
111.00743	3.3
113.02316	5.8
119.04929	3.0
121.02844	3.9
123.04430	4.0
125.09599	2.8
129.01828	5.4
137.02365	1.9
141.55963	1.7
147.02902	4.6
151.61188	1.5
152.99606	2.7
160.95491	2.4
161.04430	2.0
162.95294	2.1
163.11063	1.8
169.12262	2.8
171.10201	9.3
175.64474	1.6
180.63655	1.4
183.13881	3.2
191.01909	15.3
192.24660	1.7
197.11775	8.0
201.11340	3.9
207.10156	2.4
209.02986	2.9
209.11797	5.6
211.13344	12.0
213.11208	2.0
215.12689	1.8
221.18213	1.9
225.11238	6.7
229.04910	2.3
229.08713	2.7
230.05916	4.3
231.06586	2.4
241.10803	5.9
243.06635	3.0
243.12328	8.2
262.04596	2.1
285.07764	11.1
285.10672	2.0
309.14874	2.5
317.17487	3.3
337.11105	2.6
349.10815	6.3
365.16620	2.5
378.11002	8.8
379.11847	21.7
425.18365	2.9
485.15933	33.7
485.23019	3.4
485.30630	2.1
486.16287	5.6
486.22247	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	485.13
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.6
57.03322	14.5
58.03647	0.4
59.01249	6.3
68.99673	0.7
71.01247	3.0
71.25056	0.2
71.37502	0.3
72.99187	1.6
73.02825	0.5
75.00750	1.6
83.01252	2.5
84.02039	2.7
85.02820	100.0
86.03152	2.4
87.00737	1.0
89.02328	0.6
101.02331	0.9
103.00244	1.1
104.85866	0.3
109.58340	0.3
111.00758	4.0
112.93608	0.7
115.00246	0.7
129.01831	9.0
129.26736	0.3
134.03642	1.8
135.04390	1.2
137.02350	0.4
141.36064	0.3
147.02892	14.1
173.00838	1.6
178.02641	0.9
191.01892	34.1
192.02214	1.2
275.09213	0.4
293.10397	0.7
306.13257	0.3
353.26868	0.4
459.74487	0.3
467.11682	0.6
485.13135	0.8
486.20041	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.1
57.03326	13.5
59.01249	6.3
68.99664	0.6
69.48919	3.4
71.01248	2.7
72.99181	0.9
73.02788	0.7
75.00742	1.6
80.84359	0.4
83.01258	2.2
84.02023	2.4
85.02823	100.0
86.03156	2.2
87.00741	1.0
89.02322	1.0
101.02311	1.1
103.00256	1.6
111.00768	3.8
112.93605	1.1
115.00224	0.8
129.01830	10.4
134.03642	2.0
135.04398	0.6
147.02896	15.9
147.04066	0.9
148.03261	0.6
173.00848	2.5
178.02585	0.8
191.01909	37.2
192.02266	1.3
293.10294	0.7
309.11926	2.5
467.11761	0.7
485.12994	1.0
501.32474	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.13
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75471	0.4
55.01745	2.2
57.03321	13.9
59.01246	5.3
68.99712	0.6
71.01254	3.3
71.38033	0.7
72.99175	1.3
73.02822	0.6
75.00748	1.6
78.91757	0.3
83.01268	2.4
84.02036	2.4
85.02821	100.0
86.03162	2.4
87.00776	0.9
90.66871	0.4
96.69307	0.4
101.02325	0.6
103.00261	1.3
111.00760	4.8
115.00283	0.8
129.01831	10.4
134.03645	1.2
135.04361	0.6
147.02895	16.3
173.00819	2.4
176.97934	0.4
178.02629	1.0
179.03314	0.5
191.01897	38.7
192.02243	1.3
293.10300	0.5
467.12088	1.0
485.13058	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02850	6.9
59.01252	12.1
61.98693	0.7
69.53075	3.7
69.53497	0.8
69.69036	0.6
72.14101	0.6
78.95787	1.1
83.04839	0.6
93.03315	1.3
95.79570	0.6
117.03361	1.9
120.04446	0.6
121.02847	2.3
121.18996	0.6
123.04416	4.5
131.74394	0.6
133.02818	0.9
134.03636	79.9
135.03960	2.2
152.99490	1.3
160.84113	1.2
168.13858	16.4
178.08568	0.6
201.28981	0.6
209.06044	1.1
210.06851	0.8
212.12773	0.9
221.06006	3.2
223.07567	1.1
236.07198	2.1
238.08748	1.3
242.05972	0.7
270.11334	2.5
289.16876	0.6
304.19193	5.0
353.21182	0.9
362.21204	0.8
364.19119	1.0
378.20770	4.6
390.20715	7.3
391.20786	0.9
393.24435	1.3
394.23926	0.9
411.25436	1.6
422.23364	100.0
423.23706	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	484.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86692	0.6
55.01765	3.3
56.39655	0.5
57.03324	4.3
58.00464	2.4
59.01249	40.9
60.01611	0.9
66.45750	0.5
68.02407	100.0
69.02103	0.5
69.02746	0.9
69.03322	0.5
69.33939	3.2
69.34357	1.5
69.59119	0.5
70.14791	0.4
71.01250	57.2
72.01588	0.8
72.99189	3.0
73.02814	13.8
74.03150	0.5
75.00748	1.1
78.95775	0.5
78.96608	0.4
83.01251	5.5
84.02003	0.6
85.02818	24.9
87.00739	3.9
89.02316	21.2
95.01247	4.5
97.02828	1.2
99.00753	6.2
101.02318	37.0
102.02644	0.6
111.00767	1.0
113.02325	22.5
119.03382	6.8
125.02348	1.4
129.01834	1.8
131.03433	1.0
143.03392	2.6
145.01262	0.5
147.02937	0.9
149.04506	0.6
159.02890	5.3
161.04456	32.5
162.04858	1.1
165.01122	0.6
171.10127	0.5
179.05557	1.5
191.01915	0.8
205.03587	1.0
209.07315	39.2
210.07603	2.5
215.80409	0.5
239.08336	5.9
241.07329	1.3
242.07632	1.5
248.05954	0.6
253.06453	0.6
255.97798	0.5
281.01230	0.9
303.38272	0.5
309.14948	0.7
311.10468	2.5
322.13251	10.4
323.13681	1.4
373.06229	0.5
373.90836	0.5
397.14148	0.6
401.13684	21.8
402.14206	2.8
415.15390	2.0
484.18365	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	483.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.3
59.01242	0.7
60.99179	0.4
68.02358	0.3
69.32180	0.3
69.58125	2.0
71.01237	0.3
78.95770	0.5
83.04895	0.4
85.02861	0.2
100.49503	0.2
109.06429	0.3
139.58434	0.2
152.99506	0.6
162.20889	0.3
171.10146	0.5
197.02708	1.9
209.02878	0.3
251.11096	0.3
311.22128	0.3
325.18408	5.1
326.18564	0.6
370.84601	0.3
391.30261	0.3
393.31827	0.6
421.30988	1.1
435.29092	1.0
437.30710	0.5
439.32574	0.5
447.28754	0.4
453.30103	2.1
454.30829	0.3
465.30017	2.3
466.30313	0.5
483.31131	100.0
484.31461	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.319
Annotation	Unknow
Peak:m/z	Relative Intensity
64.80114	5.2
71.57513	7.0
78.95773	19.0
81.03345	22.4
81.28815	4.4
82.54022	4.8
83.04903	100.0
84.04458	7.3
95.02428	7.2
95.04871	6.6
95.14508	5.9
95.31693	5.1
98.02371	8.6
100.07568	6.2
100.37759	5.2
112.07587	6.4
112.88730	5.4
114.92309	5.2
125.07082	12.9
135.04317	6.7
152.99467	7.6
156.07648	6.3
209.11739	32.3
219.07852	6.1
224.17715	31.1
225.16045	45.7
242.18707	5.5
271.10568	20.6
301.27380	5.6
333.22995	36.3
339.11786	8.4
351.23892	24.6
353.49789	4.9
354.24042	6.5
355.60663	4.9
369.25000	8.7
420.28845	24.9
437.31293	16.4
438.29996	8.6
439.32791	8.6
447.29727	88.1
448.30029	12.1
449.31277	83.3
450.31845	29.7
451.33011	21.1
465.30777	91.6
466.31210	11.8
483.22287	9.1
483.32254	31.5
484.23526	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	483.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51347	0.5
64.06682	0.4
67.46349	0.4
69.57034	2.7
69.57449	0.9
78.95779	7.6
96.96844	0.9
102.80397	0.5
103.50670	0.5
146.61555	0.5
152.99495	17.0
159.51698	0.6
171.00499	1.4
227.03209	3.1
236.36754	0.5
245.04327	1.8
255.23271	100.0
256.23627	5.8
274.27515	0.5
367.20157	0.5
483.27301	29.3
484.27789	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	483.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
69.78351	2.0
69.78771	0.7
78.95779	16.1
95.73929	0.4
96.96833	1.1
98.19805	0.8
111.13490	0.4
114.55488	0.4
126.51057	0.4
141.29221	0.5
152.99500	27.5
154.26224	0.5
171.00560	1.1
227.03200	4.0
245.04247	0.8
255.23276	100.0
256.23608	6.3
256.26038	0.5
305.76581	0.4
391.22681	0.5
452.05768	0.4
483.27301	44.7
484.27747	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	483.2961
Annotation	Pubeside B
Peak:m/z	Relative Intensity
55.01750	3.6
57.03321	3.8
58.00463	4.3
59.01250	100.0
60.01592	1.7
61.98687	0.8
65.24033	0.8
69.03322	0.8
69.93062	3.8
71.01253	75.6
72.01613	0.8
72.99184	5.6
73.02820	9.6
75.00756	1.1
76.59871	0.7
78.95771	1.2
79.40340	0.7
83.01251	7.0
85.02821	22.0
87.00751	3.0
88.81287	0.7
89.02316	71.7
95.01255	5.7
97.02837	1.0
98.48812	0.7
99.00779	3.0
101.02323	55.8
102.02682	1.6
111.00782	1.7
111.47788	0.8
113.02328	34.1
114.02660	1.1
119.03388	40.8
125.02341	0.9
131.02568	0.6
131.03380	3.3
143.03400	5.0
149.04454	2.5
149.51181	0.6
159.02890	1.7
161.04457	10.7
179.05539	5.6
209.02678	0.8
276.98236	1.8
294.58887	0.8
321.24362	1.4
382.47824	0.8
465.28690	1.2
480.08344	0.7
483.29626	47.3
484.29947	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	483.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23001	0.5
54.15762	0.3
59.01249	1.1
69.83547	1.7
78.95785	0.5
83.04888	0.7
89.94111	0.4
111.08025	0.4
130.65775	0.4
152.99489	1.0
171.10199	0.6
173.08083	0.5
231.72287	0.4
325.17990	0.5
393.31711	0.9
421.30997	1.5
435.28943	0.6
437.30328	0.6
439.31821	0.4
453.29980	1.7
454.30392	0.5
465.30124	2.4
466.31006	0.6
483.31125	100.0
484.31503	15.8
484.36795	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43240	0.9
54.91060	1.1
55.01757	2.7
55.40815	1.1
57.03313	4.0
57.49303	0.8
58.00480	1.4
59.01250	52.1
71.01254	49.6
71.01665	1.8
71.57740	1.8
72.99180	4.3
73.02821	11.4
75.00742	3.8
78.95754	9.0
83.01254	9.2
85.02826	30.5
85.99969	0.9
87.00736	2.7
87.04388	1.7
89.01759	1.1
89.02319	21.5
93.03344	3.3
95.01267	2.3
96.21614	0.9
96.95890	5.8
96.96840	1.4
97.02843	2.3
99.00757	5.2
99.08076	0.9
101.02319	38.8
101.02997	1.9
102.02728	1.0
111.00761	7.9
113.02325	19.8
115.00293	1.0
118.96413	0.9
119.03397	2.0
125.02291	2.7
128.03407	1.1
129.01794	2.1
131.03395	13.3
137.02411	1.0
143.03401	2.6
147.02840	1.4
149.04488	3.6
152.76350	1.0
152.99483	3.0
155.35347	1.0
159.02890	1.4
161.04477	8.5
167.16393	0.9
171.10156	2.5
173.00887	1.7
191.01881	3.0
191.05472	1.0
205.12119	0.9
209.02974	2.7
233.06593	1.8
241.13345	3.4
247.13458	1.6
253.09311	1.5
265.07635	1.3
285.12338	2.1
291.18140	32.0
292.18478	2.6
322.13196	1.9
335.17035	1.0
343.37271	0.9
391.18817	1.1
399.09439	1.0
423.22348	100.0
424.22754	8.8
454.11111	1.1
483.10455	2.0
483.23071	4.2
483.29593	1.4
484.25601	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	483.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00164	0.6
69.63588	1.1
69.63995	3.8
77.54314	0.7
78.95778	21.5
85.34901	0.7
91.08961	0.7
94.57023	0.7
96.96835	1.7
98.19781	0.8
104.34844	0.6
148.56554	0.7
152.99492	28.4
171.00502	1.1
227.03146	4.4
249.66170	0.8
250.46254	0.9
255.23270	100.0
256.23575	7.5
483.27307	37.7
484.27728	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33163	3.5
69.33591	1.9
70.70554	0.5
78.95781	16.1
96.96828	1.4
109.07258	0.6
125.82362	0.6
129.84335	0.6
152.99503	28.7
153.99770	0.6
171.00594	0.7
227.03271	3.2
227.67931	0.7
239.90749	0.5
245.04381	1.1
255.23271	100.0
256.23663	7.6
308.15640	0.6
319.16150	0.5
483.27289	45.3
484.27463	4.8
491.11441	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2366
Annotation	Segetalin B
Peak:m/z	Relative Intensity
57.03330	2.1
58.22327	0.4
59.01245	2.4
69.74850	1.5
69.75262	0.5
71.01247	1.1
78.95779	59.2
96.96854	6.9
99.04395	2.0
101.02341	0.7
107.63993	0.3
111.00787	0.4
117.46744	0.3
118.05525	0.3
125.02346	1.2
150.97923	2.2
152.99496	100.0
153.99826	1.1
171.00562	4.0
171.10229	0.7
173.57784	0.3
196.47778	0.4
201.93422	0.4
211.13333	0.9
229.14493	0.4
247.15576	0.4
329.23434	0.5
349.90680	0.3
359.13049	0.7
483.23651	25.1
484.23734	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	483.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93306	2.5
58.15474	2.4
59.01242	8.8
69.92823	15.9
71.01254	4.9
72.99175	4.2
75.00750	39.5
78.95774	7.9
89.02322	5.2
90.81561	2.6
91.57499	2.5
98.19936	4.0
99.00742	2.8
101.91452	2.6
111.00746	2.7
119.04901	2.4
121.02836	4.9
121.10107	3.8
135.02888	44.6
135.28717	3.1
152.74638	3.3
152.99498	5.6
154.43257	2.6
171.10191	5.7
176.67816	2.8
195.13828	4.6
209.04434	2.9
210.64647	2.7
223.13402	5.6
255.23207	4.4
256.13022	3.5
275.20181	11.0
293.21234	100.0
294.21405	7.2
349.12686	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	481.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34624	0.7
57.03315	1.2
59.01257	1.2
65.03827	2.7
70.97973	1.4
72.99239	0.7
78.95778	9.7
83.04890	0.8
85.02837	0.9
125.09606	5.1
127.11140	3.4
134.03642	0.9
135.04459	1.7
152.99492	10.6
153.74980	0.7
165.05510	1.1
165.12808	1.8
167.14301	1.1
171.10190	3.0
183.13808	1.5
193.08456	4.0
193.12202	1.0
195.64008	0.7
209.11737	7.0
211.13367	7.6
218.69946	0.9
221.11618	1.7
229.14417	100.0
230.14720	6.4
231.09962	2.0
233.11578	5.9
235.13377	5.3
249.10991	2.6
249.14935	0.7
251.12753	9.9
252.13052	0.9
269.12378	1.6
295.11606	7.1
297.58417	0.8
376.85684	0.8
481.18692	7.5
481.27588	23.1
482.27725	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	482.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.9
59.01244	3.2
71.01237	2.4
71.04909	1.5
71.57755	1.0
78.95778	46.2
96.95899	1.6
96.96851	2.1
97.02823	6.3
97.06467	2.4
99.00774	9.7
99.04384	2.0
107.04933	1.9
109.06448	1.6
110.03618	1.1
113.02377	1.0
121.02783	1.1
122.98418	22.7
123.08035	1.1
125.09615	20.4
125.73454	0.8
128.03432	0.9
128.88191	0.8
131.08168	0.9
135.04420	6.6
136.04683	1.6
142.02640	1.2
143.04556	1.2
149.05925	1.1
152.99475	12.7
161.04497	2.0
163.11212	6.6
165.05510	1.1
166.05788	1.8
168.04227	7.2
174.80589	1.1
176.05873	1.5
177.06651	2.1
181.12257	21.0
182.05817	3.2
182.12640	0.9
187.64497	0.9
203.66609	1.0
205.06154	4.1
207.10202	47.1
208.10573	2.7
219.07732	2.4
224.06873	13.7
225.11276	100.0
226.11650	3.5
231.15959	1.0
232.16422	1.1
239.12778	0.9
242.07967	3.4
243.12334	3.0
257.13937	36.1
268.10657	1.2
270.12177	1.1
283.02112	1.0
285.17102	3.0
321.10959	2.9
338.11435	1.4
339.11975	4.6
379.11624	1.2
381.13062	1.9
402.35809	0.9
404.15836	1.4
411.14325	1.1
423.14417	6.5
482.21664	53.1
483.21884	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	482.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	2.1
71.01250	3.1
71.04893	2.2
71.57053	2.0
72.13948	1.3
78.95782	28.2
83.04898	3.0
93.55045	1.3
96.00803	1.3
96.96819	1.5
97.02851	6.6
97.06470	2.4
99.00746	11.8
104.53136	1.4
110.03631	1.4
122.98432	12.2
125.09637	16.8
127.05005	2.8
142.02644	3.2
152.99512	14.3
163.11156	10.5
169.02654	1.5
181.12230	22.4
207.10207	40.0
208.10544	2.9
224.06847	2.6
225.11272	100.0
226.11632	6.0
242.07939	4.1
243.12341	4.0
257.13925	47.0
258.14352	2.5
267.15723	1.9
273.11581	1.5
285.16992	4.6
423.14368	6.8
424.13574	1.5
482.21716	29.7
483.22122	3.4
483.31818	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	483.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	3.0
63.31719	0.4
68.02406	5.9
69.43658	0.5
69.47076	4.3
70.39664	0.4
71.01258	4.4
73.02824	1.2
78.91782	0.6
78.95773	4.4
83.93204	0.4
84.46911	0.4
85.02825	1.7
89.02314	1.6
96.37766	0.4
101.02321	2.7
105.64895	0.5
113.02309	1.3
117.01616	0.5
152.99486	6.1
161.04457	1.6
176.97742	0.4
178.57021	0.5
182.01927	0.4
198.06653	18.5
199.07037	1.1
209.07346	2.8
241.07283	100.0
242.07697	7.5
243.08806	1.5
254.18394	0.6
278.06100	0.5
322.13266	0.6
376.13873	38.8
377.14584	14.7
378.14752	0.6
401.13968	1.0
483.23358	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70269	1.3
55.01753	5.8
59.01247	4.0
65.03837	11.8
67.92435	1.5
70.86771	4.4
71.01257	3.0
71.04898	4.8
73.02784	1.5
78.95787	16.1
79.47516	1.2
85.02857	1.3
96.95930	1.9
96.96832	8.4
97.06466	23.9
99.00761	100.0
100.01083	1.4
121.06484	20.2
121.45615	1.3
125.09637	9.6
139.58160	1.3
152.99484	9.2
153.99799	1.3
155.00005	2.1
160.63153	1.4
185.11778	25.3
209.11795	9.4
211.13319	10.8
235.13321	17.6
289.18011	7.0
307.19156	39.7
308.19553	3.0
309.17072	11.0
310.17300	1.7
331.50595	1.2
481.24576	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	481.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
69.54843	0.8
71.19991	0.8
71.38583	0.7
78.95777	58.5
96.43521	0.9
96.96838	6.1
98.19778	3.0
106.99765	0.8
152.99490	100.0
153.99840	1.4
166.67982	0.9
171.00572	18.2
171.02026	1.1
227.03226	9.5
245.04277	76.8
246.04646	2.7
253.21704	55.7
254.22066	4.1
370.83356	1.0
481.25714	97.3
482.26010	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	481.257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93916	0.8
78.95774	57.1
96.96823	3.0
150.97870	1.1
152.99490	98.8
171.00554	20.6
227.03232	7.4
245.04277	100.0
246.04573	3.1
253.21703	65.2
254.22141	6.3
369.48672	1.0
435.29541	1.1
481.25699	90.1
482.26108	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	481.257
Annotation	Unknow
Peak:m/z	Relative Intensity
67.81740	0.9
69.82536	5.5
78.95774	64.5
89.22713	0.9
96.28500	0.9
96.96850	5.8
125.09680	1.2
150.97908	1.6
152.99486	100.0
153.99797	1.5
164.62714	1.0
171.00563	18.1
172.14214	1.0
227.03203	8.5
245.04280	80.2
246.04604	2.7
253.21695	53.4
254.22052	4.8
285.70901	1.2
399.30179	1.1
481.25696	99.9
482.26080	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	481.257
Annotation	Unknow
Peak:m/z	Relative Intensity
67.38635	1.1
68.87644	1.1
70.32054	3.7
73.67125	1.3
74.33983	1.2
78.95773	55.5
96.96830	5.1
108.12720	1.2
126.75606	1.2
129.24500	1.1
139.42621	1.3
152.99492	75.1
170.78195	1.1
171.00560	17.1
204.97905	1.2
227.03233	7.1
238.87216	1.1
245.04291	100.0
246.04668	3.0
253.21710	72.5
254.21996	6.8
291.85159	1.2
314.75851	1.1
338.02075	1.4
354.15424	1.2
481.25705	79.9
482.26096	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	481.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27982	0.9
69.03607	1.0
78.95773	61.5
85.16721	1.0
86.04411	0.9
90.69320	0.8
96.96837	5.5
98.20656	2.2
152.99481	100.0
153.99846	1.7
171.00565	17.8
227.03192	7.3
245.04279	71.4
246.04611	2.5
253.21695	54.9
254.22020	2.9
343.75674	1.0
481.25699	86.9
482.25946	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	481.2214
Annotation	Dulciol C
Peak:m/z	Relative Intensity
51.98048	0.5
59.01253	1.6
61.36692	0.6
71.01221	0.7
71.58321	1.1
71.58679	0.7
78.95780	20.3
84.05094	0.6
96.95894	2.3
96.96832	2.1
127.07549	2.7
152.99495	29.8
153.99741	1.0
156.57652	0.6
171.00586	3.1
171.06505	1.7
173.85788	0.6
174.01601	1.5
223.16975	14.8
227.03188	1.3
235.17006	27.2
236.17278	2.3
245.04269	1.5
253.18073	100.0
254.18411	5.7
271.49188	0.6
294.99658	0.6
436.99609	0.6
481.22089	42.7
482.22479	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	481.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00993	1.5
59.01256	20.3
60.87278	1.0
62.34528	1.1
69.23313	11.6
69.23716	1.3
71.01257	18.3
73.02831	3.1
78.95783	88.1
83.01269	1.3
85.02824	3.6
87.00743	1.8
89.02322	12.9
96.95892	1.3
96.96847	8.1
99.00750	1.7
101.02337	10.4
106.02921	1.0
113.02362	4.9
119.03389	3.4
131.03360	6.4
146.60532	1.1
149.04471	8.9
150.97896	1.2
152.99507	100.0
161.04471	3.1
171.00540	5.1
171.10188	1.6
191.05565	2.7
289.16571	8.9
334.07382	1.1
352.41101	1.0
395.03705	1.2
421.20850	15.1
422.20963	1.6
426.61453	1.1
481.22089	34.5
482.22546	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	481.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59155	1.7
57.03329	2.9
58.84307	1.6
59.01242	9.8
61.57887	1.6
71.01243	7.0
71.53385	3.5
71.65401	1.7
75.00749	2.0
78.95768	2.6
83.01242	2.3
83.04899	3.4
85.02829	19.9
87.38370	1.9
89.02325	8.6
96.95896	3.0
99.00773	1.8
101.02331	6.4
111.00764	12.9
111.75344	1.9
113.02334	4.8
125.09610	2.2
126.43361	1.7
129.01817	3.6
134.33734	1.7
143.14973	1.9
147.02850	4.7
154.99722	2.4
161.04482	1.8
162.09673	1.6
163.11195	4.1
171.10109	2.8
173.00836	6.7
191.01889	7.8
201.09337	2.4
201.11243	47.7
202.11632	2.3
209.02917	9.3
209.11768	100.0
210.12155	7.1
227.12874	20.8
246.25922	1.7
253.09270	29.8
295.10327	3.1
437.19809	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	481.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82963	1.6
57.03334	9.3
59.01262	11.0
63.80493	1.7
68.82967	1.5
69.94666	8.4
71.01265	2.3
78.95782	79.7
81.03356	1.8
83.26736	1.6
93.03371	2.2
96.95911	10.6
96.96848	8.2
98.20521	1.8
99.04401	8.8
101.02316	2.1
119.04879	2.3
122.94593	1.4
125.02354	4.9
127.15163	1.8
131.04935	4.6
135.04390	2.6
149.05963	1.7
150.97896	1.8
152.99507	100.0
153.99828	2.8
154.99907	3.6
160.29208	1.4
163.03966	2.7
165.05455	3.7
171.00519	5.0
171.46912	1.8
243.08043	1.8
250.88850	1.7
267.10236	2.2
279.10272	4.1
283.09641	1.9
297.11398	7.9
298.11917	2.0
327.21469	1.6
378.19217	1.6
419.17691	6.7
438.12903	1.9
457.99603	1.7
463.11594	2.4
481.21863	39.2
482.22266	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	481.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39159	0.1
50.81931	0.1
57.03316	0.5
59.01254	1.4
61.98697	2.0
70.91459	0.3
70.91777	0.2
71.01250	3.5
73.02819	1.0
78.95785	0.3
83.01239	0.4
83.04906	0.2
85.02821	2.7
86.06321	0.2
87.00722	0.2
89.02319	0.4
95.01267	0.3
97.02824	0.2
99.00772	0.5
101.02323	1.8
104.37652	0.1
106.04958	0.2
107.04911	2.1
108.02046	0.4
109.02855	0.3
111.00755	0.9
113.02316	1.4
118.64939	0.2
121.02827	0.2
122.03626	7.4
123.04448	1.1
125.02291	0.2
125.05936	0.2
129.01796	0.6
131.08542	0.6
134.03619	0.6
135.04413	46.5
136.05261	4.4
137.05980	2.0
145.13498	0.2
147.04396	0.4
148.05197	5.8
149.06009	1.4
152.99478	0.4
154.99785	0.2
157.06482	0.2
159.03052	0.2
159.04413	0.9
160.05185	1.2
161.04459	1.2
161.05759	0.3
162.06717	0.3
164.04755	0.8
171.08107	0.3
173.00818	0.3
173.06006	0.4
174.06770	7.9
175.07521	2.7
176.08310	1.1
177.09041	0.6
185.11763	0.3
187.07556	0.2
188.08388	0.8
189.09143	3.0
190.09795	0.5
191.01741	0.2
199.07431	0.2
201.09146	0.2
202.09927	0.9
205.12044	0.2
209.11896	0.4
213.09103	0.2
216.30356	0.2
217.12204	0.3
227.12587	0.2
227.14563	0.2
230.13068	2.0
231.13409	0.3
239.14337	0.5
242.13091	3.9
243.13547	0.6
245.15445	8.8
246.15843	0.6
247.16888	0.5
255.13846	0.7
256.14102	0.2
257.15454	5.3
258.15768	0.6
259.13351	0.4
260.14102	1.3
261.14658	0.2
271.13397	0.3
274.15744	21.5
275.16492	100.0
276.16849	9.4
284.08701	0.3
289.14481	0.6
319.15494	0.5
342.75089	0.2
371.03418	0.2
396.10712	0.2
423.26944	0.2
437.21667	0.4
481.20816	5.8
482.21011	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3093
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
53.46748	0.6
57.48317	0.5
68.02384	0.9
70.18515	2.6
70.18889	1.0
78.95775	26.6
82.35275	0.5
90.04169	0.6
96.96832	1.3
122.00014	1.4
127.29649	0.6
140.01088	5.5
152.99471	4.5
171.00578	2.0
196.03722	10.2
214.04756	2.2
245.04247	0.7
255.23268	1.9
283.26410	100.0
284.26779	12.2
420.78232	0.6
423.24863	0.9
480.30939	35.0
481.25760	0.8
481.31461	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	480.31
Annotation	Unknow
Peak:m/z	Relative Intensity
62.12072	0.1
62.96275	0.1
71.49938	0.3
72.49532	0.1
75.10825	0.1
78.95776	18.7
80.70116	0.1
96.96850	0.4
106.22794	0.1
114.71197	0.1
125.92141	0.1
130.23282	0.1
134.98402	0.2
142.72472	0.1
152.99490	3.2
168.02875	0.2
168.04236	2.6
171.00555	0.3
174.98010	0.1
186.32840	0.1
224.06883	8.4
225.07285	0.2
237.22150	0.3
242.07945	2.0
245.04349	0.7
253.21736	1.5
255.23265	100.0
256.23621	5.7
256.26389	0.2
282.25165	0.2
283.25214	0.2
315.01758	0.1
340.57074	0.1
391.22507	0.1
480.30945	20.6
481.25510	0.8
481.31363	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	481.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53494	0.2
54.53068	0.2
55.01774	0.2
57.03317	0.4
59.01251	1.0
61.98682	0.2
67.01760	2.5
71.01254	0.8
72.99179	3.0
73.02805	0.3
75.00753	0.9
78.95775	1.5
83.01264	3.2
85.02824	17.4
86.03137	0.3
93.03342	0.5
96.96858	0.2
98.19746	0.4
99.00762	1.1
101.02344	1.6
111.00763	100.0
112.01102	3.1
113.02318	0.3
114.96785	0.2
129.01836	5.8
134.03589	0.4
143.03406	0.3
150.57431	0.2
152.99474	1.6
154.99767	14.8
155.38539	0.3
156.00101	0.5
162.03215	0.3
173.00832	35.9
174.01167	1.2
178.02676	0.2
275.09186	0.7
481.21722	0.6
482.17957	0.8
502.54935	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81536	0.2
57.03330	0.3
59.01241	1.0
61.98695	1.8
67.01753	2.9
69.35195	0.2
69.38906	2.1
69.49399	0.2
71.01244	0.8
72.99183	3.4
73.02791	0.3
78.95777	0.8
81.46129	0.2
83.01261	2.7
85.02819	17.9
93.03329	0.3
98.20572	0.5
99.00748	0.9
99.67547	0.2
101.02316	2.3
111.00758	100.0
112.01086	2.7
113.02345	0.4
129.01830	5.8
130.02164	0.3
134.03656	0.5
137.02322	0.4
143.03360	0.2
152.40620	0.2
152.99478	0.7
154.99760	14.6
156.00089	0.7
161.04449	0.7
173.00821	35.1
174.01169	1.5
220.35713	0.2
240.23425	0.3
274.15842	0.2
275.09216	0.3
289.16589	1.5
355.19196	0.2
421.20477	1.1
481.22095	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84829	0.2
52.74226	0.2
54.03114	0.2
55.89569	0.2
57.03309	0.3
59.01252	1.2
67.01763	2.8
69.54381	2.0
71.01260	0.7
72.99180	3.2
75.00758	1.2
78.95782	1.4
83.01255	3.5
85.02824	19.3
86.03152	0.4
93.03342	0.3
99.00775	0.9
101.02338	2.0
101.72061	0.3
111.00768	100.0
112.01101	3.0
129.01845	5.5
133.02872	0.3
134.03647	0.7
152.99490	1.1
154.99782	13.8
156.00130	0.4
173.00835	34.8
174.01147	0.9
178.02629	0.3
275.09241	0.7
276.79031	0.3
392.69244	0.3
413.03482	0.2
481.21439	0.4
482.18204	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38456	0.2
59.01250	100.0
60.01585	1.0
69.03326	0.2
71.01267	0.4
71.04908	0.3
73.02817	0.2
78.95776	0.8
80.96390	0.7
87.04385	4.3
89.25285	0.2
96.95905	0.3
98.19778	0.7
99.37228	0.2
104.49000	0.2
109.08053	0.2
110.15641	0.2
152.99548	0.4
160.66814	0.2
171.10172	0.3
197.11687	0.2
211.13477	0.2
251.16527	0.2
293.20749	0.4
311.21677	0.4
479.23804	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	479.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38456	0.2
59.01250	100.0
60.01585	1.0
69.03326	0.2
71.01267	0.4
71.04908	0.3
73.02817	0.2
78.95776	0.8
80.96390	0.7
87.04385	4.3
89.25285	0.2
96.95905	0.3
98.19778	0.7
99.37228	0.2
104.49000	0.2
109.08053	0.2
110.15641	0.2
152.99548	0.4
160.66814	0.2
171.10172	0.3
197.11687	0.2
211.13477	0.2
251.16527	0.2
293.20749	0.4
311.21677	0.4
479.23804	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	480.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59467	0.1
69.41981	0.5
74.78886	0.1
78.95773	5.5
84.46552	0.1
89.91120	0.1
92.71855	0.1
96.96885	0.1
98.19797	0.1
121.84877	0.1
142.93196	0.1
152.99492	0.8
168.04218	1.3
171.00549	0.1
224.06891	0.9
237.22157	0.1
242.07953	2.1
245.04306	0.2
253.21733	0.6
255.23267	100.0
256.23608	6.2
269.44333	0.1
354.02719	0.1
480.30948	5.4
481.25494	0.2
481.31375	0.6
496.23044	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13441	0.2
71.57543	0.3
78.95697	8.4
90.80093	0.3
96.96801	0.3
107.32499	0.2
109.65453	0.2
140.01079	2.0
142.34262	0.2
146.63008	0.2
152.99492	2.4
155.58351	0.2
167.51152	0.3
171.00433	0.9
196.03735	1.1
214.04759	2.1
229.73480	0.2
255.23241	3.0
283.26410	100.0
284.26767	7.8
352.72974	0.3
396.95129	0.3
480.31189	9.3
481.31595	1.1
506.91422	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31779	0.5
55.01762	0.9
57.03317	1.1
58.65036	0.5
59.01249	6.3
71.01251	5.4
71.04870	1.7
73.02789	1.4
79.92220	0.6
83.04896	0.6
85.02816	2.4
87.00755	0.6
89.02298	3.7
97.02819	2.3
98.20010	2.8
99.00758	11.8
101.02326	5.4
103.60938	0.6
109.06438	0.8
111.00777	2.0
113.02319	1.4
118.69346	0.6
119.03384	1.3
122.32615	0.6
123.08022	1.0
125.09644	3.3
127.11156	1.4
142.02640	0.9
161.02258	0.6
161.04457	0.9
163.11200	5.8
169.92116	0.6
171.10126	1.6
181.12259	16.3
182.12456	0.8
197.11754	1.7
199.13326	32.5
200.13669	1.7
207.10213	29.3
207.11856	0.4
208.10500	1.5
209.02951	1.1
225.11270	65.2
226.11613	4.8
243.12360	19.8
244.12675	1.3
253.09242	3.4
279.72241	0.6
317.15970	0.6
397.42938	0.6
461.20325	11.7
462.20547	1.6
479.21301	100.0
480.21698	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	479.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	2.4
59.01270	11.7
63.07245	2.4
63.62814	2.3
65.83719	2.1
71.01251	8.8
71.57246	3.2
72.99201	3.2
75.00743	14.1
78.20852	2.1
78.95789	9.4
85.02819	17.6
87.00759	5.2
89.02314	3.8
95.01244	2.5
99.00755	3.4
100.86179	2.2
103.86784	2.1
113.02341	17.0
114.30551	2.3
121.02866	2.8
125.09583	3.4
135.04346	3.3
141.44687	2.1
152.99513	7.2
168.82843	2.2
171.10187	8.4
199.13332	2.9
211.13290	3.8
223.36296	2.5
225.11218	3.8
229.14432	50.3
237.50528	2.6
243.12395	2.8
249.06206	9.2
372.71494	2.2
379.81677	2.3
395.23679	2.4
431.15204	8.1
461.20297	3.3
471.00046	2.6
479.21509	100.0
480.20956	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	479.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34900	0.5
55.83356	0.5
57.03314	1.9
59.01241	2.8
61.67332	0.5
63.19217	0.5
64.18079	0.6
66.28870	0.6
69.03329	0.6
69.28199	5.1
78.95775	11.4
83.04906	0.7
96.95898	0.6
97.06412	0.6
99.08026	1.5
104.97353	0.6
110.98409	9.1
111.08015	0.8
113.09580	3.1
123.07992	0.7
125.09608	1.0
129.09117	3.7
139.11191	2.8
151.11111	1.2
152.99489	1.0
165.12721	0.6
167.01044	5.5
167.14362	0.7
169.12241	2.6
171.10197	7.9
172.66188	0.5
181.12241	3.0
183.13774	2.0
185.02112	8.0
185.11687	1.1
193.12219	3.6
197.11761	7.7
197.83830	0.6
198.12070	0.7
199.13327	3.9
209.11717	0.9
211.13336	14.5
212.13625	1.1
265.21747	0.6
275.20114	1.6
285.23944	0.7
293.21219	17.9
294.21603	2.2
311.22275	100.0
312.22638	9.6
443.22763	0.7
453.15167	0.5
479.24136	37.7
480.24344	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	479.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72939	0.4
57.03294	1.3
59.01246	3.0
62.96235	0.6
69.03329	0.6
69.49281	0.8
69.49683	3.6
71.01261	0.6
78.95772	13.9
83.04858	1.1
86.22087	0.5
96.95875	0.7
97.02832	0.7
99.08004	2.4
101.74285	0.5
110.98415	11.2
111.08042	0.9
113.09583	2.4
121.10091	1.1
125.09580	1.6
126.99440	1.0
129.09076	3.5
139.11165	4.0
151.11244	0.6
152.99467	0.6
153.12729	0.6
161.60402	0.6
163.11252	1.1
165.12761	1.5
167.01071	7.7
167.10654	0.8
169.12251	1.7
171.10175	12.5
172.10428	0.7
177.12732	0.7
179.81969	0.6
181.12192	2.3
183.13792	2.3
185.02113	9.2
185.11682	1.4
186.12076	0.5
193.12306	4.1
197.11743	7.7
199.13290	3.4
200.29684	0.5
201.11305	0.7
207.10110	0.7
209.11638	1.1
211.13329	13.1
231.21080	0.6
249.22261	1.1
259.95712	0.5
265.21747	0.6
275.20120	0.8
285.14990	1.1
293.21219	16.2
294.21494	1.8
311.22253	100.0
312.22623	9.9
479.24142	43.7
479.31323	0.9
480.24405	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	479.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.5
58.44685	0.8
59.01252	5.2
62.96291	1.2
65.44186	0.7
69.34140	7.2
69.34562	0.9
71.01273	1.6
72.99184	0.8
78.95779	22.1
80.96400	5.9
81.60114	0.8
83.04899	1.4
96.95895	2.0
99.08040	3.5
110.98423	15.9
113.09605	2.4
129.09158	5.3
139.11212	2.0
147.06552	0.9
151.11159	1.3
163.07639	0.9
167.01070	11.5
169.12270	2.4
171.10139	7.3
171.90045	0.8
181.12320	3.1
183.13805	2.7
185.02167	8.1
193.12268	3.5
197.11761	9.3
199.13379	4.6
201.11368	1.5
211.13350	16.7
212.13716	1.5
223.13391	0.9
225.11302	1.9
232.97606	0.8
241.85051	1.0
249.21983	0.9
274.54559	0.8
275.20053	1.4
289.49118	0.8
293.21274	13.7
311.22281	100.0
312.22592	9.5
397.09442	1.5
479.24200	52.0
480.24518	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	479.2053
Annotation	Garcidepsidone B
Peak:m/z	Relative Intensity
53.50697	0.5
54.80426	0.5
59.01247	6.7
61.98695	0.6
69.23207	0.5
71.01238	0.9
75.42660	0.5
78.95775	16.0
80.96391	9.3
83.04915	0.7
85.02797	1.1
86.19213	0.6
96.95879	6.0
96.96817	0.6
110.98412	9.8
111.92816	1.6
121.02851	0.9
122.03619	1.1
126.03134	0.6
135.04370	0.7
152.07069	0.9
152.99483	8.8
167.01059	3.1
167.14365	2.5
171.10182	0.6
185.02139	8.1
190.05067	1.8
192.07889	0.6
193.15927	1.0
201.11427	0.6
211.13329	2.0
223.20575	2.6
225.11327	0.7
231.17381	0.8
249.18597	7.3
258.69330	0.6
267.19641	100.0
268.19971	8.7
275.16510	10.6
276.16806	1.2
293.17590	40.4
294.17905	3.5
311.18637	64.8
312.19037	6.7
312.22543	0.9
447.15509	1.6
479.20490	62.4
480.20749	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	479.206
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25370	0.7
56.62704	0.6
59.01226	1.9
60.91343	0.6
71.01244	1.4
75.00772	0.7
78.95779	66.5
79.95596	0.8
80.96402	0.7
81.03345	0.6
89.02325	0.9
89.88302	0.6
93.03343	2.6
96.95893	8.0
96.96844	6.5
98.20584	1.3
101.02324	0.9
119.04909	2.0
121.02834	2.5
123.04432	0.8
131.04904	1.5
132.05740	2.5
133.06464	1.2
134.03648	10.0
135.04414	2.6
135.54593	0.7
143.04912	2.0
145.06511	4.8
147.04411	3.1
149.05954	0.8
150.97964	1.4
152.99495	100.0
153.99788	1.5
161.06013	1.4
165.05492	1.1
171.00545	3.9
171.10028	0.7
177.05646	1.0
177.39169	0.7
211.07661	1.9
211.13333	1.4
225.09294	1.5
251.10776	2.2
253.08713	4.6
265.08713	3.1
269.11862	1.4
283.09692	1.7
283.19333	1.3
329.11740	1.6
341.11893	1.6
357.14893	4.2
369.15015	1.1
371.13153	0.7
387.16013	22.4
388.16595	1.5
399.16107	1.0
416.37207	0.7
417.17038	7.0
418.17477	1.0
431.15210	2.7
461.19696	5.2
479.20453	23.7
480.21164	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	479.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.6
57.03013	0.3
57.03312	0.6
58.00492	0.3
59.01251	4.3
69.03330	0.4
69.53700	2.3
71.01245	3.2
71.04887	2.1
73.02830	0.5
75.00733	0.4
76.50008	0.3
78.95775	0.3
83.04893	0.6
85.02833	1.2
87.00737	0.4
89.02323	2.3
95.01200	0.3
95.04846	0.4
97.02817	3.4
97.06467	1.1
99.00752	16.3
100.01105	0.5
101.02310	2.3
103.42633	0.3
109.06464	1.2
110.03602	0.7
111.00778	0.4
113.02327	1.1
114.05441	0.3
119.03400	0.4
123.04391	0.4
123.08020	0.5
125.09611	4.8
127.11179	0.4
135.08043	0.4
136.05200	0.5
142.02661	0.8
151.00305	0.3
152.01134	0.4
153.12759	0.6
155.14316	0.5
156.84734	0.3
161.04492	0.8
163.11188	6.7
164.11507	0.4
167.03416	0.7
169.12178	0.3
171.10208	0.9
178.99683	0.4
179.05399	0.4
179.10732	0.4
181.12254	17.7
182.12651	1.2
197.11783	0.9
199.13324	13.7
200.13663	0.9
207.10196	27.4
208.10507	2.1
218.67126	0.3
225.11273	43.6
226.11586	3.2
231.69574	0.3
243.12347	33.6
244.12703	2.5
253.09343	1.5
271.02368	1.1
272.03143	0.6
299.01974	1.6
311.07898	0.3
314.15808	0.3
316.02014	0.9
317.02966	0.5
317.15976	0.9
461.20358	1.2
479.08218	3.3
479.21292	100.0
480.21634	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	479.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	0.3
59.01248	1.0
64.27968	0.3
69.83828	0.2
78.95779	52.5
80.96393	0.5
96.95911	0.4
96.96841	6.1
110.98417	0.8
119.42162	0.3
122.35196	0.3
134.03625	0.7
134.66339	0.3
150.97968	1.7
152.99495	100.0
153.99863	1.4
171.00572	4.6
171.10265	1.3
193.04987	0.6
197.11676	0.3
210.21265	0.2
211.13382	0.5
249.18631	0.5
293.17819	0.5
293.21268	1.0
311.22244	4.7
479.20032	7.7
480.20853	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37698	0.5
53.06120	0.5
59.01242	1.8
61.98689	1.0
69.03333	0.6
71.01240	1.3
71.57389	0.8
71.57725	1.0
71.84919	0.6
73.44930	0.6
78.95776	63.5
89.02325	0.9
93.03349	0.7
96.95900	3.3
96.96844	6.3
107.04893	0.7
119.04917	1.8
121.02864	1.3
124.98701	1.3
128.03348	0.9
130.04146	5.5
131.04929	17.5
132.32706	0.6
134.03658	1.2
135.04396	2.0
140.16081	0.6
149.05991	11.9
150.97870	1.8
151.07564	1.5
152.99493	100.0
153.99870	0.9
163.13512	0.6
171.00565	4.9
210.06773	0.7
225.09062	0.8
239.07104	0.9
241.08563	1.3
253.08789	1.1
265.08701	2.3
267.10287	3.4
269.11777	4.0
270.08917	1.3
283.09836	2.8
284.10577	8.3
285.11096	1.8
295.09851	0.8
297.11407	2.1
299.12701	1.1
329.14059	7.9
331.11957	1.2
355.69504	0.6
371.12820	0.8
383.12839	1.1
387.15881	1.2
391.15286	1.0
394.49252	0.8
399.15906	2.0
401.13782	1.4
413.13718	1.4
417.17065	44.1
418.17596	3.0
431.14963	1.1
447.18216	1.4
449.17426	2.1
461.19598	5.2
479.20563	32.4
480.20981	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	479.205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	3.8
65.87827	0.7
70.63589	1.1
70.63946	2.3
71.01244	1.2
78.95779	14.7
80.96382	2.2
96.95899	1.5
98.60277	0.7
110.98421	9.4
118.90859	0.9
122.03575	1.0
152.99477	10.6
167.01050	3.2
167.14296	2.8
185.02100	7.0
190.04974	2.7
193.15804	1.2
205.15193	0.8
207.17360	1.2
211.13350	1.6
223.20578	2.0
249.18547	7.6
267.19641	100.0
268.19980	6.8
275.16522	9.6
276.16742	0.9
293.17578	37.9
294.18063	2.0
311.18640	63.7
312.18942	6.1
402.78513	0.8
439.85321	1.0
444.99414	0.9
447.15762	2.9
479.20462	64.9
480.20779	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	479.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.0
55.49434	1.0
57.03317	1.5
58.00456	1.1
59.01249	11.9
69.65121	5.2
71.01256	12.3
72.99186	2.2
73.02823	5.0
83.01267	4.0
85.02820	9.7
87.00759	1.5
89.02329	3.2
93.03335	2.3
95.01276	1.3
95.04891	1.0
96.26357	0.8
99.00745	1.4
101.02314	9.8
106.04137	3.7
107.04914	30.7
108.02062	1.2
111.00735	6.4
113.02349	4.7
118.04728	0.9
123.04431	2.0
134.03647	20.3
135.04417	91.7
136.04774	3.3
139.07489	0.9
148.77747	0.9
151.07545	3.4
161.04538	1.3
165.05490	23.1
171.10220	4.3
173.00772	2.0
177.03304	2.0
191.01923	1.3
197.11809	1.5
201.11273	3.0
207.10219	2.8
225.11285	12.7
241.12338	1.0
243.12195	1.6
253.09270	4.8
269.11829	22.8
270.12137	1.3
313.13031	2.3
317.11411	1.0
361.92877	1.1
431.17084	100.0
432.17529	11.3
461.20175	3.0
479.19312	11.4
480.19717	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	479.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38806	0.4
55.69640	0.5
57.00131	0.4
59.01249	5.6
59.01488	0.5
60.01586	0.5
61.98718	1.2
68.99698	2.0
69.99980	2.3
71.01266	2.3
73.02849	0.8
76.98093	0.5
78.95778	1.7
80.04915	5.3
80.05312	0.4
80.96405	2.1
85.02829	1.8
89.02333	0.8
93.03317	3.7
94.06541	2.2
101.02341	1.4
102.37919	0.5
104.04939	4.0
107.03663	6.3
108.04436	55.8
109.04794	1.8
111.00758	0.8
111.92902	0.5
113.02330	0.9
116.04925	0.6
117.03316	0.6
119.03371	0.7
120.04468	0.7
122.06009	39.1
123.06345	1.0
124.07596	1.0
126.99429	0.6
128.93828	0.5
132.04448	19.9
133.04808	1.1
134.06030	3.0
135.04420	1.7
139.02647	2.2
144.04442	2.3
148.03986	2.3
150.05577	0.7
152.07077	100.0
152.99533	1.4
153.07451	4.2
160.03915	0.9
166.05031	0.5
171.10265	0.8
173.00900	0.5
174.01895	1.7
176.03461	10.0
177.03806	0.5
186.01996	0.5
188.03444	5.7
188.08311	1.0
189.08784	1.1
208.06079	1.0
210.09178	1.6
211.13458	0.6
223.06342	4.7
225.11322	0.7
238.08684	14.9
239.09015	0.9
244.03491	0.4
244.14667	1.4
250.08772	1.1
269.12894	2.0
273.12448	46.6
274.12796	3.2
277.49924	0.4
297.09387	0.6
297.12473	7.6
298.12750	0.5
311.10370	0.8
313.11966	2.7
339.09668	1.7
341.11411	67.8
342.11697	7.3
347.14850	0.8
373.14120	5.7
374.14099	0.6
389.43686	0.5
403.16614	25.8
404.16864	3.1
437.21011	0.7
447.15503	2.8
448.15552	0.6
479.17999	17.9
480.18527	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	479.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23584	1.7
54.33269	1.6
55.01752	2.3
57.03327	9.6
57.03558	1.9
57.59188	1.7
58.00464	4.1
59.01251	100.0
60.01570	2.3
61.98695	2.1
69.03339	8.7
70.17223	6.3
71.01251	65.1
71.04887	2.0
72.99182	27.4
75.00740	4.5
78.95776	4.6
79.05403	6.4
80.02472	1.7
81.03318	3.5
83.01261	2.8
83.04901	10.3
85.02820	25.4
87.00743	9.4
89.02319	57.9
90.02619	1.9
91.33305	2.0
93.03319	6.2
94.03638	1.7
95.01247	4.9
95.04897	6.6
96.95872	5.7
97.02832	3.5
97.06459	8.8
98.19807	2.0
98.20347	2.9
99.00754	2.4
99.04395	15.5
101.02325	40.4
105.07005	2.2
107.04887	2.7
109.06467	3.5
111.00757	5.4
111.04385	2.8
113.02332	28.1
119.03387	22.2
123.04400	6.4
123.08041	7.4
124.05235	3.1
125.05997	9.3
129.01819	11.7
131.03369	2.4
134.06004	1.6
137.02309	3.8
138.02702	2.3
141.05544	2.0
143.03436	3.0
149.09573	2.3
151.00270	2.0
158.06015	3.6
161.04436	5.2
163.11176	4.8
167.07056	15.5
173.00822	4.0
175.11209	14.3
179.05551	16.2
183.06535	2.1
191.01828	4.6
193.12225	7.1
202.04793	2.0
207.10201	11.8
209.02998	3.9
210.03059	1.7
219.10138	2.8
221.11740	3.4
225.11380	2.8
237.11279	3.5
255.12390	1.9
281.06842	2.4
281.10068	2.9
282.06961	3.6
283.07159	3.6
299.11368	15.8
317.03571	1.7
347.13461	7.1
382.11465	4.4
387.16650	19.0
388.16904	2.2
406.28702	1.8
419.15424	1.9
479.17889	51.9
480.18414	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	479.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
61.81613	2.3
64.50185	2.1
69.97458	12.6
72.59367	2.3
78.95776	30.3
93.03329	14.9
96.95887	4.9
96.96839	3.0
107.04906	8.5
119.04932	3.5
134.03647	27.9
135.04414	37.4
149.05977	7.3
152.99501	43.1
165.05476	5.0
177.05495	17.1
185.28326	2.1
189.05478	3.1
208.04959	3.0
210.06804	12.8
211.07622	16.2
212.38225	2.9
223.07581	8.1
224.08331	5.9
225.09207	24.3
227.12999	2.6
235.07558	3.7
237.09158	5.1
248.39693	2.6
253.08691	100.0
254.08990	5.9
265.08685	57.2
266.08920	5.8
283.09708	9.9
295.09378	3.6
329.11810	34.9
331.48502	2.7
341.11835	38.4
342.12106	5.2
348.64474	2.3
359.12888	6.9
371.12769	3.2
431.14868	6.0
479.21146	12.9
488.10626	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	479.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48158	1.5
57.94051	1.6
58.00468	2.0
59.01244	8.4
61.98697	2.2
63.35507	2.1
65.03833	3.0
71.01250	7.2
71.56892	3.2
72.99191	3.6
73.02795	2.1
75.00757	3.5
78.95778	70.0
80.96364	2.0
85.02814	2.8
87.00755	4.4
88.86248	1.8
89.02338	2.4
93.03352	9.7
96.95911	2.2
96.96853	8.9
97.02878	2.1
99.00767	5.5
101.02339	2.7
106.04122	2.9
107.04906	5.7
113.02357	2.9
115.05385	2.1
119.04881	4.3
121.02840	17.9
125.09622	3.2
130.04097	3.0
131.04901	5.8
134.03587	2.2
135.04382	13.0
137.34833	1.9
143.04907	3.9
145.06419	2.5
147.04404	8.7
149.05966	6.0
150.97993	3.1
152.99496	100.0
153.99907	2.7
164.04703	7.2
165.05478	12.9
171.00607	3.0
171.10167	3.1
177.05513	7.6
181.12242	2.5
182.36990	1.9
183.10143	2.1
195.08134	2.0
199.13336	4.0
207.10205	5.0
210.06891	2.8
211.07542	3.0
223.07603	3.1
225.09166	2.9
225.11282	9.1
227.07144	1.9
229.14342	7.2
235.07610	3.8
237.09120	3.4
239.07108	2.3
243.12245	6.4
247.07594	7.2
249.09132	2.3
253.08670	27.0
255.06541	2.5
259.07614	4.0
265.08685	18.2
277.08734	2.9
278.70413	1.8
283.09778	47.0
284.10150	4.9
295.09756	4.2
301.10785	2.3
313.10831	3.5
325.12421	4.0
331.11887	11.3
337.12387	6.0
341.11975	4.1
353.11932	9.2
354.12576	2.7
355.13440	7.4
359.12930	2.9
365.11734	12.1
367.13211	3.9
371.12891	29.7
372.13196	5.0
374.43219	2.0
377.11871	6.0
383.12842	54.1
384.13223	6.0
386.96777	2.0
395.12674	15.2
401.13931	53.3
402.14307	5.8
405.16873	4.2
413.13943	69.4
414.14230	7.8
431.14865	28.7
432.15292	4.2
443.15036	5.3
449.16049	36.1
450.16458	2.6
461.15863	15.2
462.15930	2.3
479.20145	52.8
479.26465	4.8
480.20850	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88548	0.6
59.01250	3.6
61.98684	1.4
63.83686	0.6
69.03321	1.4
70.32037	1.1
70.32441	1.6
71.01256	1.7
72.99171	0.9
74.02346	0.7
76.14784	0.6
78.95777	40.7
80.96398	4.2
83.01225	0.7
85.02790	1.2
91.92940	0.7
93.03345	1.8
96.95872	1.0
96.96837	7.0
101.02327	0.8
102.25447	0.6
106.80677	0.6
108.02082	0.8
113.02370	0.9
119.04878	1.7
121.02844	44.1
122.03209	1.0
126.64951	0.7
135.04457	1.0
139.61971	0.8
143.04926	1.2
145.06514	0.7
147.04393	5.5
150.97993	0.8
152.99492	59.8
153.99802	0.6
171.00558	5.0
171.10088	0.9
199.13390	3.2
209.06076	0.9
211.13356	0.8
225.05551	0.8
227.07056	1.6
235.07591	0.9
237.05579	1.6
239.07103	1.9
240.07896	1.1
241.08275	0.7
242.63033	0.8
253.08685	4.9
255.06619	6.4
265.08765	0.8
272.06873	2.0
283.09750	1.9
295.09653	1.3
309.11316	2.2
325.12247	2.4
341.11847	1.4
342.12613	2.8
343.13303	1.2
370.12115	2.7
371.12881	19.3
372.13275	1.6
401.14008	2.2
405.16782	2.0
413.14032	1.2
431.14981	100.0
432.15356	9.3
438.38474	0.7
461.15860	6.4
479.20706	22.1
480.20831	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	479.083
Annotation	Gossypin
Peak:m/z	Relative Intensity
59.01233	3.3
63.29967	0.9
65.00203	1.4
69.44827	8.2
71.01244	1.7
71.04931	1.1
77.12759	0.9
83.01247	2.0
83.04901	1.1
86.63068	0.9
87.72150	0.9
89.02322	1.1
95.01266	2.4
97.02853	1.2
97.06474	0.9
99.00751	5.8
101.02332	1.1
107.01262	2.3
109.02822	3.3
109.99986	4.1
111.00777	2.8
113.02293	1.4
123.00801	2.5
124.01559	2.2
125.02342	1.6
125.09603	1.4
135.00728	1.1
136.98717	1.7
137.02333	1.2
137.99500	2.0
139.00249	4.3
143.60262	1.1
151.00267	7.4
152.01027	4.7
153.01671	1.8
160.56332	1.2
161.02292	1.4
163.00296	3.5
163.11108	2.4
164.01064	3.8
164.02409	1.0
165.98976	4.1
166.99754	3.6
171.10228	1.6
175.03879	1.5
178.99776	5.9
181.12271	5.9
183.04405	1.0
187.03976	2.2
194.99243	1.3
198.03137	1.2
199.03937	2.3
199.13309	3.9
201.01868	1.6
203.03430	2.1
206.99466	1.0
207.10184	8.3
214.02635	3.2
215.03357	2.4
216.04172	1.6
221.06699	0.9
225.11237	14.8
226.11502	1.1
227.03523	5.8
229.01442	1.4
230.02141	1.6
231.02936	2.8
241.01427	3.5
242.02109	4.5
243.02983	8.6
243.12326	9.7
244.03380	1.6
245.00992	2.1
245.04475	1.6
255.02852	4.8
259.02460	3.2
270.01694	8.6
271.02454	30.4
272.03146	8.9
273.03989	4.3
287.01968	13.6
288.02594	5.8
289.03506	1.5
298.01215	3.9
299.01959	28.4
300.02411	2.7
316.02213	45.9
317.02957	31.2
318.03448	1.6
435.09500	1.1
461.07358	2.3
479.08282	100.0
479.21103	31.4
480.08691	12.7
480.21646	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	478.294
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
52.72210	0.5
60.97519	0.5
69.49908	1.0
69.50304	3.6
78.95779	18.7
106.44165	0.5
106.91799	0.4
121.99966	0.6
140.01093	4.1
152.99475	1.8
170.36382	0.5
171.00529	0.8
196.03719	11.0
214.04868	2.3
223.56020	0.5
281.24857	100.0
282.25229	7.4
304.52728	0.5
478.29398	26.7
479.29575	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	479.085
Annotation	3,5,7,2',3',4'-Hexahydroxyflavone 3-glucoside
Peak:m/z	Relative Intensity
59.01247	13.9
63.02262	2.6
65.00187	5.1
66.15785	1.2
67.01771	1.2
68.99677	1.5
69.26345	13.1
71.01246	10.7
72.99178	3.3
73.02795	2.3
75.00755	3.4
78.95761	1.7
81.03269	1.4
83.01252	2.7
85.02824	7.8
87.00716	2.1
89.02304	6.1
90.52074	1.1
93.03336	6.1
95.01259	3.7
97.02814	1.6
99.00746	10.4
101.02315	5.5
107.01248	5.4
109.02856	1.9
109.99953	1.6
111.00744	10.7
113.02328	3.9
117.03342	2.5
119.03386	2.6
119.04936	1.4
121.02840	1.6
122.05997	1.2
123.00764	4.3
123.04379	1.9
124.01550	1.8
125.02338	4.0
125.09638	2.1
127.28036	1.1
131.04991	1.2
132.02072	2.0
133.02859	2.4
133.04904	1.5
133.93340	1.2
135.04362	1.5
136.98697	2.8
137.02332	4.0
139.00259	11.2
139.33891	1.5
143.04930	3.7
145.02866	3.8
145.06102	6.0
149.99487	1.9
151.00279	18.8
152.01027	3.0
153.12766	2.0
154.99773	2.5
155.04999	1.8
158.06017	1.7
159.04422	4.5
161.04517	1.7
163.00288	5.0
164.01071	3.9
164.98241	1.7
165.01852	1.3
166.99776	2.7
169.01373	3.4
171.04414	4.1
171.10149	6.0
173.02371	2.0
174.03206	2.2
175.03738	1.6
177.01822	1.4
178.99799	14.9
179.03304	1.3
180.00151	1.4
181.12247	8.8
183.04378	2.2
187.03886	4.6
189.01874	2.9
189.05507	1.8
191.01785	1.5
192.00623	3.2
193.01271	2.4
194.99290	1.7
197.11746	10.1
198.12143	3.7
199.03941	4.7
199.13359	35.6
200.13612	1.7
201.05460	2.0
203.03444	4.1
205.01253	1.6
207.10181	8.7
208.00060	1.3
209.00827	2.4
214.02704	2.2
215.03450	6.0
216.04114	4.1
217.05017	12.6
223.09601	1.5
225.11275	18.5
227.03447	7.6
229.01366	1.3
229.05095	2.0
231.02965	5.7
232.03813	2.4
242.02200	4.9
243.02948	14.0
243.12335	22.4
244.03665	3.0
245.04483	5.5
251.10367	3.1
253.09219	3.7
255.02991	9.2
256.03409	1.4
259.02417	14.2
260.03104	3.4
270.01703	6.3
271.02478	44.7
272.03036	7.2
273.04004	5.2
283.02542	3.4
283.09808	1.9
284.03192	1.7
285.03976	7.4
287.02014	15.8
288.02679	3.9
289.03564	2.3
297.04065	2.0
299.01959	48.5
300.02521	5.8
301.03583	3.3
316.02231	35.9
317.02963	25.9
318.03415	1.7
358.64175	1.4
359.05917	1.4
362.53357	1.3
379.10425	5.8
383.13089	3.0
401.13867	2.7
413.13904	3.4
435.08984	2.3
449.16141	2.0
451.09012	2.8
461.07336	4.0
461.20547	2.0
478.20087	2.9
479.08334	100.0
479.20917	86.4
480.08624	15.6
480.21408	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	478.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85609	0.6
52.99969	0.5
57.98537	0.5
70.10250	2.6
70.90364	0.5
71.38159	0.5
78.11410	0.5
78.95779	57.3
79.35991	0.5
79.61346	0.5
84.19550	0.5
90.26133	0.5
96.96844	4.0
98.20473	0.6
127.14748	0.6
140.01077	1.9
143.68205	0.5
146.83186	0.5
152.99487	10.9
160.46361	0.5
171.00565	9.0
196.03729	0.8
214.04779	1.8
219.42752	0.5
280.23581	0.7
281.24857	100.0
282.25232	8.6
299.67892	0.6
478.29391	38.0
479.29749	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	478.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61002	0.3
62.96273	0.3
78.18198	0.4
78.95779	20.1
88.93688	0.3
121.20236	0.3
122.00060	0.6
140.01079	5.3
152.99496	1.6
196.03737	10.0
197.04066	0.4
214.04727	2.6
227.60326	0.4
242.83897	0.3
281.24860	100.0
282.25211	9.9
478.29419	22.4
479.29843	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	477.3224
Annotation	Polyporusterone A
Peak:m/z	Relative Intensity
57.03312	3.1
59.01244	5.2
59.92919	1.7
63.91012	2.2
64.22671	2.3
69.03330	10.5
71.57852	4.2
71.58226	2.5
78.95778	55.0
79.04182	2.2
80.96198	11.1
83.04891	4.1
94.04141	3.9
95.04907	7.0
96.96814	4.2
97.06471	32.9
123.08063	5.2
127.11189	5.2
137.09628	13.3
138.84334	2.2
151.00269	4.0
151.11273	10.5
152.99501	15.6
153.99829	2.7
171.00594	3.6
171.10216	2.3
193.89548	2.3
202.14807	2.1
203.14307	3.1
205.15977	7.8
209.15422	5.0
215.16537	2.2
221.15384	10.3
223.16989	34.6
231.13846	2.3
249.14966	33.9
253.21729	4.6
267.16049	57.9
268.16284	3.8
277.21729	2.7
295.22809	8.8
301.03439	10.0
314.65878	2.5
335.22055	3.7
400.49707	2.2
403.28003	2.7
415.32114	8.1
459.31055	42.3
460.31735	5.8
477.26736	19.5
477.32404	100.0
478.32574	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	477.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53747	15.4
51.22540	17.6
59.01258	28.1
68.14539	17.6
70.87548	53.5
75.50034	19.7
78.95789	100.0
106.58969	17.8
109.02772	18.0
110.81204	17.8
151.00291	19.6
152.99496	71.9
157.20256	17.6
239.12733	18.3
244.31932	20.3
279.23254	32.5
281.24774	61.0
301.03622	89.5
319.30725	18.6
416.48044	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.8
59.01252	100.0
61.98698	3.1
70.69424	1.5
70.69804	4.8
71.01255	33.8
72.99200	1.7
73.02806	9.8
83.01251	3.2
85.02822	14.0
87.00757	2.5
89.02322	20.3
95.01260	3.6
99.00788	3.4
101.02323	28.9
111.00838	1.8
113.02332	16.7
119.03369	8.4
121.02853	3.0
131.03448	2.5
135.24571	1.3
143.03380	4.1
159.02832	1.9
161.04466	24.8
165.01805	7.3
173.05852	1.4
179.05539	8.4
181.74942	1.2
188.37321	1.4
193.01352	2.2
226.02698	2.0
227.03403	2.7
243.03017	3.8
254.02379	1.9
255.19641	2.2
270.99725	2.7
271.02481	42.4
272.02798	4.3
285.03937	3.0
299.01959	52.7
300.02567	9.2
314.04294	53.9
314.07925	2.8
315.05029	40.4
316.05441	3.4
357.94122	1.6
417.24921	43.9
418.25381	5.3
477.10406	45.6
478.10867	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	477.226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.8
59.01250	18.4
63.20843	0.9
69.03327	3.3
69.65065	7.3
71.01250	1.5
78.95307	1.3
78.95776	22.5
83.04880	1.1
85.02806	2.2
94.00413	1.1
95.04948	1.3
97.02827	14.4
97.06459	3.1
101.80869	1.1
109.06517	1.3
110.98402	15.7
111.08057	9.7
121.10140	1.9
125.09615	2.3
127.07516	1.6
134.03598	1.1
135.04375	1.3
137.02303	1.2
137.09616	3.9
146.46060	1.1
152.99532	7.1
163.11192	1.5
165.12811	2.2
167.01067	10.0
167.60474	1.2
169.12270	3.7
171.10190	11.9
177.12788	1.2
179.10646	1.2
181.12305	1.5
183.13818	4.1
185.02150	13.9
185.11729	2.6
193.12274	1.9
195.13867	3.3
197.11768	32.4
198.12051	3.4
199.13312	1.9
209.11867	2.1
211.13338	16.1
221.11853	1.2
223.13312	1.5
223.17029	1.6
227.12898	1.1
233.15413	2.4
239.12962	1.4
247.20567	1.8
251.16486	4.2
263.20126	3.0
265.17886	1.2
273.18607	2.0
291.19650	44.0
292.19974	4.6
309.20703	100.0
310.21057	10.3
325.08188	1.0
327.16049	1.1
329.88632	1.0
472.96146	1.2
477.22610	57.6
478.23010	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	477.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	21.8
64.71220	17.4
66.18403	15.5
71.01249	38.1
71.57696	19.6
71.58074	36.9
78.95766	79.6
88.71057	16.6
90.33280	19.2
92.66789	17.8
106.53299	17.9
135.85835	19.7
151.00369	17.3
152.99504	71.6
221.89467	17.3
279.23291	100.0
281.24768	52.4
296.92319	17.0
301.03186	29.0
379.45700	20.4
477.35617	37.9
488.08408	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	477.226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	2.7
59.01249	11.3
68.22606	2.1
69.03329	9.4
69.94934	7.1
69.95339	4.5
71.01258	3.2
71.04903	3.8
71.39063	1.7
75.00725	2.3
78.59830	1.7
78.95779	55.5
83.04872	2.5
93.03365	2.3
96.96843	2.5
97.06475	2.8
98.19818	1.9
104.88015	1.7
109.80263	2.0
110.98406	15.3
121.02837	3.2
128.74158	1.8
132.10757	1.7
135.04425	1.9
152.99495	47.7
153.67500	2.2
161.90712	1.8
167.01085	9.3
167.10666	2.6
171.00485	2.2
171.10347	2.1
185.02145	10.2
193.12193	1.9
195.13875	10.1
195.82922	1.9
205.15862	2.3
207.13870	2.9
207.17436	2.8
210.06714	4.5
211.13309	5.1
221.15439	8.6
222.06882	2.2
223.07564	4.3
223.16969	18.6
227.03244	2.0
231.13937	6.0
233.15437	13.3
249.14934	27.0
251.13907	3.2
251.16507	51.9
252.16876	4.0
273.18616	3.2
291.19635	20.8
301.03513	7.1
309.20715	100.0
310.21127	8.2
395.67603	2.1
415.15369	2.7
477.17880	10.1
477.22351	43.6
477.32333	3.9
478.23370	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	477.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	1.8
57.03325	5.8
59.01257	5.1
67.25542	0.8
69.03307	1.6
71.01270	2.3
71.04897	1.6
71.57056	2.0
78.95776	25.2
80.02534	1.5
80.53645	1.1
81.03320	2.9
81.45947	0.9
82.48324	1.2
83.01263	11.1
83.04893	4.4
95.04892	2.9
97.06478	5.7
97.46434	0.9
109.06470	1.7
110.03664	1.0
110.98407	19.8
111.08060	1.7
113.09612	1.3
123.04413	2.9
123.08038	4.1
124.41407	1.1
125.05955	2.0
125.09632	9.6
127.07530	1.2
127.11125	2.1
135.08006	1.0
137.09634	1.8
139.11198	7.7
140.89566	1.4
141.09132	1.1
151.11182	6.2
152.99422	1.4
153.12671	1.3
161.09608	2.4
162.10495	1.2
163.11185	11.0
165.09241	1.4
165.12762	18.0
166.13130	1.1
167.00958	6.9
167.10648	6.5
167.14340	1.3
171.10097	1.3
179.14278	1.2
181.12271	10.2
183.13831	2.0
184.88684	1.5
185.02106	19.0
191.10643	6.6
193.12209	1.0
193.15868	5.4
197.11685	1.2
207.10210	1.4
209.11765	100.0
210.12085	6.3
211.13387	2.9
247.20589	13.6
248.21230	1.5
265.21646	5.4
273.18582	4.3
281.21112	2.2
291.19659	86.8
292.19980	9.3
309.20700	85.8
310.21078	10.9
325.54242	1.1
344.81949	1.0
399.45819	1.1
422.80991	1.2
433.93332	1.2
477.22586	54.4
478.23120	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	477.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08266	1.6
52.42812	1.6
55.01749	1.4
57.03333	7.6
59.01256	6.1
62.96785	1.6
69.24846	8.1
69.25275	9.8
71.01260	3.3
71.04909	11.7
78.95779	57.6
83.04906	2.2
85.02861	2.8
93.03362	6.5
96.96844	2.1
97.06478	4.8
99.04417	2.7
104.97378	1.9
110.98411	23.1
119.04916	3.0
121.10169	4.4
123.08107	2.0
125.09631	5.8
126.86244	1.5
130.04181	3.1
131.04948	2.5
134.03671	6.8
137.09624	13.3
143.04964	2.2
147.04446	10.8
147.08200	1.7
152.99516	24.2
167.01071	23.5
171.10185	29.8
172.10594	1.9
183.08176	2.8
185.02139	10.9
185.11688	9.2
209.11914	1.7
210.06897	6.4
211.07611	19.9
211.13345	1.7
235.17033	2.7
237.09206	2.7
237.15007	2.9
239.07126	1.7
240.08011	3.4
241.08694	8.7
247.20856	1.9
249.09230	3.6
251.16466	31.8
252.16870	9.9
258.12335	1.8
261.09216	1.8
267.10431	3.1
279.10294	2.1
291.19678	48.7
292.20074	4.1
309.20706	100.0
310.21173	7.0
312.11502	2.4
327.13907	2.4
339.13858	2.5
355.13666	4.7
357.15353	3.6
367.13364	9.3
385.10278	1.9
385.14310	7.8
386.14972	2.0
397.14493	9.6
415.15500	32.5
416.16031	5.9
445.16528	10.1
446.17499	2.2
477.22824	76.7
478.23074	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31339	0.9
55.01773	0.9
57.03303	1.6
58.01746	0.8
59.01250	26.4
69.03320	1.6
71.01257	2.3
71.04893	2.1
71.14272	2.3
72.64812	0.9
73.02816	1.1
75.00758	1.0
78.95776	40.3
81.27215	0.9
83.04900	2.1
85.02821	1.9
87.04401	1.3
93.03315	1.1
96.95872	1.4
96.96873	0.8
97.02848	5.8
97.06470	2.8
101.02320	1.2
104.97349	1.6
109.06504	1.4
110.98415	33.8
111.08041	17.1
119.08546	1.4
121.10139	1.6
123.08092	1.2
127.07552	2.2
134.03635	1.4
137.09621	3.7
152.99503	6.4
153.12698	1.3
157.64029	0.9
165.12820	1.6
167.01053	22.3
167.10551	1.1
168.01312	1.0
169.12280	7.2
171.10162	13.2
179.03534	1.0
181.12228	1.9
183.13828	3.1
185.02142	15.9
185.11761	3.4
190.05042	2.6
193.12230	2.0
195.13780	1.6
197.11765	75.7
198.12115	3.6
199.13329	3.0
209.11861	1.5
209.15425	3.1
211.13333	15.9
212.13933	1.1
212.82849	1.0
223.13472	1.3
223.17015	2.4
225.14915	3.7
227.12901	2.7
233.15471	1.7
247.20639	1.3
251.16553	5.4
263.20181	2.4
265.18262	1.0
271.02441	2.0
273.18542	2.1
291.19656	31.2
292.19983	3.7
309.20715	100.0
310.21124	8.6
477.22574	86.2
478.22888	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	477.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	3.3
59.01253	5.3
59.43629	0.7
61.98708	1.2
69.32748	2.7
69.33164	6.8
71.01263	1.8
71.04900	9.4
75.00774	1.7
78.95781	41.3
83.04937	0.8
85.02849	1.0
94.98799	1.0
95.04901	0.9
96.95892	1.4
96.96843	3.3
97.06475	4.3
99.04397	2.2
101.02339	1.3
104.23131	1.0
107.04929	2.0
107.89762	0.9
110.98423	14.8
111.14002	0.9
121.06458	1.2
121.10153	4.5
123.08041	0.9
125.09602	5.8
135.08141	1.0
137.09622	8.7
141.12791	1.8
147.04419	3.2
148.04826	1.2
149.06004	1.3
152.99506	45.0
167.01033	6.5
171.00575	2.0
171.10184	23.3
172.10550	0.9
175.14870	1.2
185.02144	9.2
185.11761	10.0
197.11748	2.1
223.13217	1.1
235.16878	1.4
235.56294	0.9
242.23717	0.8
247.20746	1.5
251.16527	20.5
252.16747	1.6
265.08835	1.0
266.71213	0.9
267.09460	0.9
273.18738	1.3
279.41058	1.0
291.19681	43.1
292.20004	3.2
301.03613	1.1
309.20731	100.0
310.21066	7.3
415.14789	5.5
447.14859	1.0
459.17111	1.5
477.23175	40.7
478.22787	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	477.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.4
55.32360	0.3
57.03318	1.4
59.01253	8.6
60.01582	0.3
60.31722	0.3
61.98683	0.5
69.03333	3.1
69.33359	1.6
69.33791	1.5
71.01251	5.1
71.04887	2.2
72.99192	0.5
73.02825	1.2
73.04873	0.4
75.00739	1.1
81.03313	0.3
83.01255	0.8
83.04896	0.5
85.02818	3.8
85.08388	0.3
87.00745	0.7
89.02301	3.8
93.03339	0.6
95.01286	0.7
96.95911	0.5
97.02825	0.3
97.06466	0.7
98.19688	0.4
99.00718	0.7
101.02317	4.8
108.04427	0.5
111.00687	0.4
113.02329	2.1
119.03371	0.8
120.02065	0.4
123.04427	0.5
123.08054	1.1
125.09621	2.3
133.04958	0.7
134.04626	0.5
136.07607	0.6
137.02296	0.3
137.09590	0.4
138.03142	0.4
143.04472	0.4
149.09674	0.4
151.00276	0.3
151.11206	1.7
153.05466	3.8
153.12770	2.3
161.04469	1.3
161.09605	2.3
172.22331	0.3
179.10701	7.0
180.10999	0.5
191.01875	0.4
197.11763	100.0
198.12109	4.9
209.02971	1.1
214.53166	0.3
223.09705	2.4
241.10782	12.1
242.11075	0.4
253.09229	3.5
255.02950	0.3
271.10883	1.8
272.03262	0.7
315.09818	0.7
315.14600	0.5
317.15985	0.4
320.14102	0.4
417.11630	0.4
459.18692	0.9
477.19724	97.0
478.20108	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	477.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86168	1.1
57.03328	4.1
59.01245	7.4
61.98682	1.1
69.03325	1.1
69.63855	1.3
71.01235	3.2
73.02813	1.4
78.95773	48.8
80.02576	2.4
80.82774	1.3
81.03325	4.1
81.55138	1.2
83.01255	9.8
83.04906	5.6
97.02853	1.9
97.06478	3.4
98.03631	1.2
104.97362	2.6
107.04897	1.5
110.98414	38.3
111.08030	2.3
113.09552	1.7
123.04389	2.1
123.08028	3.2
125.05965	1.7
125.09620	9.6
136.24449	1.2
139.11162	7.7
151.11198	5.1
162.83905	1.5
163.11195	7.5
165.12761	14.7
167.01053	41.9
167.10681	7.1
171.10205	5.7
179.10744	1.6
181.12300	9.3
185.02122	13.3
185.11778	2.4
191.10710	5.7
193.15906	2.6
207.10197	1.5
209.11761	68.6
210.12123	5.3
211.13321	3.9
219.17520	1.3
222.50755	1.2
225.11273	1.9
247.20647	10.0
265.21793	3.4
266.22012	1.3
273.18500	3.9
281.21005	1.8
291.19659	68.1
292.20013	5.7
301.03610	1.2
309.20715	52.6
310.21060	5.5
403.24380	1.5
477.22565	100.0
478.22870	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	477.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	8.2
61.98705	5.2
69.03322	2.9
69.53371	17.7
78.95786	50.9
85.02861	2.1
93.03331	12.0
96.95908	6.6
96.96833	5.5
104.01437	2.2
107.04904	2.0
119.04888	3.3
120.12670	2.0
121.02851	50.6
130.04141	2.9
130.79823	2.2
131.04915	10.1
135.04379	3.3
137.05991	2.5
145.06514	3.8
147.04424	6.6
149.05989	6.1
152.99493	65.5
171.00525	5.1
171.04482	2.8
171.10181	2.7
211.07542	3.1
213.05449	2.8
220.12891	2.2
221.05980	3.3
225.05690	2.7
237.05765	2.4
237.09048	3.7
238.06247	5.0
239.07135	15.8
249.09244	4.2
251.07080	2.5
255.06595	3.2
261.09088	2.8
264.08020	3.9
265.08572	3.5
267.06641	5.7
267.10352	4.2
277.08752	8.2
278.09415	8.2
279.10284	7.4
281.08240	3.2
282.08945	4.7
289.08780	5.4
290.09485	6.1
291.10339	8.4
292.11060	2.7
293.11838	6.4
293.18796	3.3
295.09653	4.0
296.10223	3.2
297.11038	2.8
301.03473	6.0
305.11795	7.0
308.10391	3.7
328.11154	2.3
329.10400	2.2
354.12360	2.5
355.13376	16.2
357.11398	6.0
367.13306	4.1
385.10611	3.4
397.14249	5.2
415.15552	81.1
416.15778	7.7
417.17316	20.6
427.15369	7.9
429.17111	9.0
445.12744	100.0
446.12830	11.6
447.18463	6.2
459.18201	35.9
460.18448	2.9
477.15610	10.8
477.19208	14.2
478.15933	4.1
478.49539	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.8
61.98708	1.7
67.45943	0.9
71.37849	1.9
72.71759	1.0
78.95782	7.4
90.88443	1.0
93.03356	1.9
96.95930	1.3
103.05424	2.8
117.11304	1.0
119.04922	3.8
123.04454	1.1
130.04147	21.0
131.04935	55.5
132.05255	2.9
133.06528	1.2
134.03607	1.5
135.04488	1.2
135.05595	1.2
136.03957	2.7
137.02347	1.5
147.04472	2.0
149.05997	27.2
150.06340	1.2
152.99515	11.0
185.55421	1.1
185.95418	1.1
193.06558	1.0
194.95818	1.2
221.06143	2.6
221.09216	1.8
223.07605	1.5
225.09210	1.0
229.06570	3.3
231.08142	6.0
235.07678	2.1
236.08510	1.9
237.09215	1.3
239.07092	11.7
239.09283	1.4
241.56863	1.2
246.06763	2.5
247.07587	6.2
248.08115	1.2
249.09193	5.1
254.09576	1.2
256.40094	1.0
259.07736	1.7
263.07364	1.2
264.07944	12.4
265.08591	9.7
266.09387	1.8
267.07199	2.2
267.10269	21.9
268.07501	6.1
268.10513	1.8
277.08878	4.1
279.10205	1.6
281.08237	1.8
282.08984	18.1
283.09717	6.9
295.09811	15.1
296.10284	2.5
297.11304	3.5
327.12360	31.0
328.12857	2.4
351.14047	1.2
357.11337	1.2
367.13278	1.3
368.14267	1.9
371.12598	3.2
379.13376	3.1
385.14767	3.4
397.14490	22.0
398.14825	3.4
399.12527	1.5
415.15536	100.0
416.15887	11.3
445.16537	1.5
477.19321	41.5
478.19711	5.1
493.96042	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	4.2
59.01234	3.7
68.88348	1.6
70.26596	8.0
71.04889	4.4
75.10155	1.5
78.95780	39.9
91.08923	1.6
93.03338	11.0
96.96861	2.1
99.94134	1.6
101.02326	2.3
110.98417	11.6
115.05404	2.6
118.41076	1.7
119.04920	6.8
121.02874	2.7
125.09620	2.0
130.04123	2.8
131.04922	7.6
134.03638	29.6
137.09579	3.0
143.04907	3.4
144.05695	2.1
147.04430	4.6
149.06036	2.5
149.64690	1.7
152.99509	34.2
162.06816	2.5
167.01089	11.1
171.10194	12.1
185.02132	3.5
185.11732	4.7
194.05743	3.1
199.07835	1.9
210.06775	2.7
211.07588	6.6
223.07571	3.2
225.09161	2.9
233.09720	5.6
235.07663	2.2
237.09135	4.5
240.07664	2.1
247.07693	2.7
248.08380	3.3
249.09215	12.6
251.16466	10.5
252.16983	2.2
253.08908	1.9
259.07541	2.0
267.10294	20.6
279.10220	14.0
291.19675	21.2
302.46390	1.9
309.20734	40.4
310.21027	2.2
339.09869	2.3
339.13785	6.1
355.13373	15.7
357.14795	2.2
366.11581	1.9
367.13388	40.1
368.13577	5.0
369.14880	6.1
374.78461	1.8
385.14444	34.5
386.14642	4.2
397.14474	21.4
398.14526	3.4
415.15491	100.0
416.15778	10.1
445.16333	3.3
477.23331	29.5
478.23056	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	477.1918
Annotation	Garcinisidone E
Peak:m/z	Relative Intensity
53.20923	0.6
54.58575	0.6
57.03322	0.7
57.65911	0.7
59.01255	7.7
61.98714	3.2
64.64061	0.6
69.67351	2.0
69.67759	2.6
71.01253	2.9
71.05479	0.6
72.99181	1.2
75.00787	1.2
78.95783	29.4
80.96375	0.7
85.02828	1.4
87.00762	2.9
89.02325	1.4
93.03342	2.4
96.95918	1.4
96.96867	2.7
101.02348	1.0
101.59005	0.7
107.04897	1.8
111.84443	0.8
116.04925	0.8
117.03355	1.8
119.03419	0.7
119.04922	3.1
121.02839	0.9
121.81087	0.6
130.04176	0.8
131.04927	3.3
134.03645	0.8
135.04427	2.9
143.04933	2.7
147.04433	8.7
149.06032	1.2
152.99500	37.9
159.04361	0.8
161.05975	1.5
165.05554	0.9
171.00574	1.8
171.10208	0.9
172.32913	0.7
177.12743	2.1
203.08235	1.5
203.10719	1.2
205.06525	2.4
221.11839	2.6
222.09094	1.0
223.07538	1.7
225.09204	1.2
229.06436	0.7
231.08142	1.7
234.29245	0.7
237.05577	0.8
237.09233	1.7
241.08698	2.5
243.08191	1.2
247.07620	1.2
249.09201	1.4
261.09302	1.1
265.08710	2.1
267.10223	1.4
277.08691	1.1
279.10330	2.6
295.09814	2.8
296.10449	0.7
297.11374	2.1
301.03629	1.3
301.86371	0.7
302.08932	0.7
321.12900	1.3
323.10898	1.0
329.11963	0.9
337.12241	0.9
339.13867	1.5
341.11798	2.4
343.13589	0.8
343.21451	0.9
345.14853	0.7
347.11090	0.8
349.12390	2.2
355.13361	1.9
357.11255	1.0
357.15097	2.5
359.12720	2.0
361.12341	1.1
367.13284	6.6
368.13925	1.0
375.16226	1.5
379.13351	2.3
385.14600	2.2
387.12445	1.0
388.13342	1.8
397.14319	3.6
401.27167	0.8
415.15564	3.3
427.15582	4.8
428.15677	1.4
445.16678	8.4
446.17200	0.9
459.18170	1.7
477.19238	100.0
478.19504	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	477.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	8.1
69.03326	13.3
70.87280	1.9
71.04902	6.0
71.57798	3.2
75.00748	3.0
77.77026	1.8
78.31237	2.0
78.95778	58.2
78.96217	3.9
93.03340	6.1
96.95865	2.7
96.96861	5.0
100.01730	2.0
106.04181	1.9
110.55054	1.9
110.98430	7.9
117.03315	2.6
119.04903	3.8
121.02849	32.5
121.06461	2.1
123.15807	1.9
131.04889	5.2
134.03625	19.6
137.09581	2.2
145.06503	3.3
147.08052	5.6
149.02350	5.7
152.99487	64.6
157.06470	2.5
159.04446	5.2
160.05217	33.1
167.01138	3.8
167.10646	2.0
171.00572	3.8
171.10153	5.3
175.07545	7.7
185.02112	5.1
185.05920	2.2
193.12291	3.0
195.13925	4.4
205.12460	3.7
205.16037	2.2
210.06854	4.2
211.07574	10.0
214.16953	2.3
216.20251	2.3
221.15500	3.6
225.09183	2.7
231.13887	8.7
236.08154	2.2
239.07095	24.0
245.04214	2.6
249.14928	63.9
250.15068	2.6
251.16408	3.2
279.10254	5.8
282.08939	3.6
291.19699	18.8
297.11411	4.8
301.03406	2.5
309.20761	25.4
331.32361	2.2
385.14365	7.9
397.14560	5.8
415.15524	100.0
416.15762	11.6
458.33676	7.2
459.33987	4.1
477.17987	20.2
478.19333	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	477.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66950	3.1
55.01780	2.5
55.07425	2.7
59.01252	100.0
71.01256	70.1
71.06303	5.1
71.06613	3.3
72.99190	7.4
73.02834	3.2
78.95808	2.9
83.01237	2.4
85.02829	9.3
89.02313	83.8
89.02830	5.2
93.03348	5.3
95.01263	3.7
101.02327	31.3
113.02343	29.6
119.03398	34.9
119.04897	6.6
120.01122	4.9
121.02859	8.0
130.56882	3.1
131.03384	3.4
131.04930	7.8
135.04390	3.5
143.03416	5.2
147.04433	14.7
161.04459	7.7
161.05907	6.1
173.06035	4.1
179.05544	18.5
196.80777	2.7
210.06860	19.4
211.07620	9.1
223.07628	10.6
240.07945	3.7
241.08556	7.0
267.10275	10.1
279.10315	8.3
285.11261	10.3
296.52533	2.5
315.12332	4.1
318.73120	3.3
363.65878	2.7
408.35553	2.6
429.15714	6.4
459.16635	11.2
477.17215	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	477.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65266	0.5
55.01753	0.8
57.03313	1.9
58.00459	0.9
59.01250	19.9
70.33842	2.0
70.65753	0.4
71.01255	30.2
72.90602	0.4
72.99185	2.6
73.02812	4.6
75.00744	1.2
75.24595	0.4
79.90401	0.4
83.01259	2.7
85.02824	19.0
86.03152	1.0
87.00748	2.1
89.02317	17.4
89.04173	0.5
91.00252	2.1
93.03331	1.5
95.01258	1.9
96.95895	2.4
97.02844	0.6
99.00763	2.0
101.02323	12.4
101.02988	0.6
106.04137	1.8
107.04909	12.2
108.02021	0.7
108.05228	0.6
111.00778	4.6
113.02330	10.0
114.02680	0.5
117.03357	1.2
119.03388	6.7
119.04830	0.8
121.02828	0.7
123.04417	1.7
129.01816	2.0
131.03387	0.8
131.04915	1.9
133.06473	0.7
134.03632	40.7
135.04430	38.2
135.05254	0.4
136.04755	1.2
143.03413	2.0
143.04420	0.5
147.02882	0.9
147.04411	4.1
149.05981	1.6
159.02907	1.6
161.04462	7.1
165.05487	10.6
169.42744	0.5
173.00821	2.7
179.05542	6.9
191.01889	3.2
195.08076	2.9
196.08723	0.8
202.46941	0.5
209.02985	11.7
211.07590	0.6
237.09128	0.7
239.10667	3.0
241.08617	0.5
247.95680	0.5
267.10251	100.0
268.07730	0.6
268.10593	10.6
297.13559	1.1
371.05969	0.6
429.15491	21.0
430.15927	2.5
477.17670	23.7
478.18054	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	477.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98597	1.9
59.01254	24.7
62.04632	1.9
69.25059	1.7
70.97337	6.3
71.01252	19.5
72.10059	1.9
73.02825	3.1
73.53719	1.8
85.02814	3.9
89.02319	22.5
95.01264	2.5
101.02312	11.5
106.04110	3.7
107.04922	29.7
113.02312	7.4
119.03394	9.4
131.03383	2.4
134.03636	29.9
135.04420	100.0
136.04736	2.5
143.03447	2.4
161.04480	5.8
165.05489	28.9
179.05515	8.3
187.45442	2.2
195.08110	2.9
234.94273	2.3
238.09940	2.5
239.10660	2.4
267.10269	59.3
268.10452	3.8
279.10187	6.4
429.15509	15.7
477.17569	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20086	0.1
50.60945	0.2
52.48752	0.1
52.94719	0.1
56.70371	0.1
57.03323	0.3
59.01251	6.5
65.99737	0.2
71.01254	2.0
71.04878	0.3
71.58270	0.2
71.58646	0.2
72.20448	0.1
73.02804	0.8
75.00761	0.3
78.95779	0.8
80.96400	0.4
83.01276	0.5
85.02811	0.9
89.02314	0.5
92.04913	0.1
93.03322	0.9
94.06503	1.5
94.07076	0.2
96.95887	0.2
99.00743	0.2
101.02335	1.1
101.82721	0.1
102.11857	0.1
104.04896	0.3
105.01775	0.2
107.03652	2.7
109.01550	0.2
110.98418	0.4
113.02313	0.5
119.03399	0.2
120.04443	0.3
121.02831	0.3
121.05219	0.1
122.06005	20.8
123.06341	0.8
124.07555	0.5
125.02328	0.2
126.99455	0.2
128.03424	0.3
130.02875	3.5
131.03302	0.1
133.02849	0.3
134.03662	0.3
134.05984	0.6
135.04393	0.3
139.02632	0.7
143.03444	0.2
143.04515	0.4
146.02368	0.3
147.03101	0.2
148.03928	0.5
152.07074	43.8
152.99490	0.3
153.07436	1.8
158.02252	0.1
160.01614	0.2
160.03992	0.9
161.04469	0.2
162.03101	0.2
162.05559	1.0
165.01834	0.2
166.04982	0.3
167.01114	0.2
171.10199	0.4
173.01109	0.2
173.06000	0.2
174.01878	33.3
175.02254	2.0
179.03433	0.2
179.59138	0.1
186.01891	3.4
187.02635	0.7
188.03395	0.4
188.08353	2.2
189.08846	0.2
204.08720	0.2
208.07626	0.2
215.24567	0.2
219.01659	0.4
236.07019	0.2
237.10367	0.2
251.16409	0.3
254.13087	0.2
255.13811	0.7
266.06900	0.2
268.09775	1.3
271.02432	0.7
272.08887	0.2
273.14951	0.3
273.20718	0.3
281.09299	1.8
282.09625	0.2
291.19528	0.5
293.09216	0.4
299.01883	0.7
301.03571	0.3
308.08310	0.2
309.20630	1.1
311.10373	9.0
312.10818	0.8
314.04398	0.8
315.05164	0.7
338.62857	0.2
339.09830	100.0
340.10144	10.4
417.19019	0.7
417.24030	0.2
435.19943	1.1
435.25711	0.4
436.20633	0.3
477.10767	0.4
477.16431	5.4
477.21902	0.7
477.27524	1.3
478.16214	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70099	0.5
52.84377	0.4
58.33174	0.5
59.01257	0.8
69.76950	3.1
71.01234	0.6
72.99176	3.8
75.00745	100.0
76.01074	0.9
83.69632	0.5
89.02312	0.7
123.04448	0.7
133.04961	21.4
134.05284	1.3
184.37839	0.5
303.60370	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73895	3.6
53.04782	3.9
57.63371	4.5
59.01244	19.2
70.72974	12.8
71.01225	10.7
72.99186	15.2
75.00727	14.9
76.67858	4.2
85.02830	24.6
86.84275	4.3
89.02329	12.8
93.03313	4.2
96.95875	5.1
101.02281	5.6
106.40788	4.2
107.04910	7.6
111.00816	4.0
113.02286	5.1
121.02841	13.8
123.04347	5.6
131.22354	4.5
133.03995	7.9
133.04959	92.8
134.03674	8.8
135.04439	24.3
149.06001	4.9
160.05200	7.0
161.04782	5.0
161.05949	26.6
165.05432	11.7
176.58429	5.2
191.01936	10.7
209.02931	21.2
237.09225	20.4
248.08362	8.8
249.09164	18.4
267.10251	100.0
268.10648	11.3
279.10223	14.9
280.10297	5.0
297.11288	12.2
315.12390	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	477.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.4
71.01266	0.8
71.56438	1.3
72.99196	3.3
75.00745	100.0
76.01088	1.2
83.50542	0.6
83.87026	0.6
85.02811	0.6
88.29120	0.6
110.98138	0.6
119.65361	0.5
133.04962	14.6
135.04376	1.2
158.60460	0.6
209.03194	0.6
267.10294	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31132	0.3
59.01252	100.0
60.01590	1.2
69.23077	2.8
69.23482	0.5
70.77885	0.3
71.01260	1.3
73.02818	0.3
78.95782	3.0
80.96396	1.4
83.01301	0.5
83.08227	0.3
85.02835	1.3
93.03363	0.4
96.95936	0.4
98.19647	0.3
99.00784	0.3
101.02338	0.7
105.01836	0.6
110.98418	1.7
113.02317	0.6
121.02859	0.4
121.10109	0.7
122.06000	0.3
125.09642	0.9
126.99460	27.4
127.99827	0.7
133.02875	1.2
134.03661	1.1
135.04446	0.7
137.02377	0.3
137.09653	0.4
150.03180	0.6
152.07141	0.5
152.99506	0.6
159.04486	0.4
160.01578	0.3
161.06032	0.5
163.03963	0.4
167.01093	0.8
171.10240	1.1
174.03143	0.3
177.01837	0.5
178.02695	1.0
179.03441	1.1
183.13741	0.3
185.02184	1.2
185.11800	0.8
195.13850	0.4
197.11839	0.6
209.11861	0.6
211.13347	7.0
212.13766	0.4
221.04506	0.3
223.17039	0.8
233.15604	0.9
249.15094	0.8
251.16498	2.7
269.09555	0.4
284.57697	0.3
289.17816	0.3
291.19656	10.2
292.20004	0.7
299.02106	0.9
309.15240	0.4
309.20676	6.2
310.21225	0.4
314.04263	0.7
315.05258	0.6
315.16074	0.3
327.16077	0.6
345.17227	0.6
371.15063	0.7
417.28558	1.8
435.29678	1.2
459.21524	0.5
472.87595	0.3
477.11246	0.6
477.22763	6.4
477.28867	0.7
478.16589	0.4
478.23206	0.5
478.29742	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.14
Annotation	Pilosidine
Peak:m/z	Relative Intensity
55.01755	2.0
56.97683	0.9
57.03312	1.9
59.01252	46.9
59.55857	1.0
61.98696	1.9
68.18855	0.9
68.99677	1.0
71.01254	18.0
71.57584	1.3
72.99184	2.0
73.02815	3.4
73.45348	0.9
74.14304	1.0
75.00750	1.6
77.26023	0.9
78.95792	0.9
83.01264	3.6
85.02830	8.6
87.00733	2.2
89.02319	4.5
93.03335	41.9
95.01266	2.9
96.20554	1.1
96.95898	1.3
96.99200	2.2
97.02821	1.1
99.00761	2.1
99.04374	1.2
101.02322	14.4
106.62711	1.0
108.02070	5.1
110.11981	0.9
111.00740	3.6
113.02334	7.9
119.03394	1.3
119.04904	3.3
121.02834	4.1
123.04398	6.5
124.01546	2.4
125.02298	1.3
133.04904	1.3
134.03606	1.3
135.04416	17.5
136.01576	2.8
136.05200	5.3
137.02344	88.8
138.02640	2.0
141.30988	1.0
143.03386	1.0
148.65517	0.9
151.03905	4.4
151.07576	5.7
152.07071	2.7
161.04453	1.9
169.79773	0.9
177.05476	2.8
180.06500	1.1
195.06549	60.1
196.06870	2.2
204.00677	0.9
209.02904	1.3
237.45448	1.0
269.17142	1.2
281.06656	100.0
282.07004	7.0
297.13336	1.9
397.39035	0.9
431.22827	2.2
445.28696	1.1
459.12994	3.9
469.94226	1.2
477.13974	98.1
478.14282	12.5
478.20065	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	477.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.5
59.01251	4.7
60.95395	0.4
64.64045	0.4
70.60129	0.9
71.01250	2.2
72.01652	0.4
75.00724	0.7
78.95732	0.6
83.01211	0.5
85.02844	2.1
87.00735	0.6
89.02308	0.8
93.03330	0.6
101.02319	1.4
107.01260	1.1
111.00682	0.6
113.02290	1.0
116.92769	0.7
125.02354	0.8
133.04988	1.0
134.03595	1.0
135.03941	0.6
137.02356	1.6
143.04613	0.5
147.04352	0.5
149.05954	0.5
151.00256	3.1
153.01843	0.8
155.10689	0.6
169.01280	1.0
171.04424	0.7
171.10226	0.5
175.03928	0.7
178.02608	0.7
178.99805	1.0
187.03992	0.8
193.05002	1.0
194.05302	0.5
197.11818	1.2
199.03905	3.9
201.01865	1.6
203.03287	0.6
209.11725	0.6
212.09526	0.6
215.03412	3.8
226.02641	0.5
227.03479	3.6
227.11853	2.3
242.02167	10.8
243.02956	42.8
244.03267	3.7
255.02992	0.9
257.04544	12.8
258.04916	0.9
265.91678	0.4
270.01685	10.5
271.02469	42.5
271.10843	1.4
272.02795	2.9
285.04062	23.7
286.04694	8.5
287.05283	0.8
299.02002	8.2
300.02625	4.3
314.04309	46.9
315.04907	11.2
357.06009	1.4
439.13541	0.5
477.10339	100.0
478.10760	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1036
Annotation	6-Methoxykaempferol 3-galactoside
Peak:m/z	Relative Intensity
55.01750	1.4
56.90643	0.7
57.03320	4.3
59.01239	5.2
70.10228	2.0
70.10622	1.7
71.01245	5.8
72.99190	1.1
82.46347	0.8
83.01249	1.0
84.02051	1.3
85.02821	43.9
86.03158	1.2
89.02306	1.8
95.69987	0.9
98.19878	1.6
101.02362	1.0
111.00774	2.7
111.09360	0.8
116.92706	0.8
129.01839	4.8
133.01344	2.0
135.04393	0.9
147.02887	4.8
169.12212	0.9
173.00890	1.0
191.01917	20.3
197.11665	1.4
209.02965	100.0
210.03319	3.1
218.41725	0.9
261.76752	0.9
273.23636	1.0
357.65015	0.9
371.06107	3.6
477.19785	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	477.0675
Annotation	Hypolaetin 7-O-glucuronide
Peak:m/z	Relative Intensity
59.01242	5.4
63.02262	1.3
65.00196	3.1
71.01251	5.1
71.57833	1.6
72.99175	1.0
73.17960	0.8
78.95779	1.9
83.01273	2.6
85.02834	2.4
87.00771	1.7
89.02316	1.2
93.03349	2.8
101.02330	1.0
107.01270	9.0
109.02816	5.0
113.02328	2.8
119.03406	0.8
121.02818	8.6
127.21500	1.0
128.03403	1.3
149.02333	1.1
149.33168	0.9
151.00269	29.4
152.99510	1.5
159.04411	1.1
163.00270	3.1
169.01308	2.8
177.03209	1.1
178.99756	12.9
183.04393	1.3
187.03867	1.2
201.05528	1.2
206.90808	0.9
211.03918	1.9
211.13332	1.1
227.03441	2.0
229.05002	2.7
240.04135	1.1
245.04526	2.7
255.02911	6.0
265.08670	6.3
271.02472	1.2
273.04016	2.7
283.02481	2.5
301.03531	100.0
302.03726	4.5
305.21500	1.3
356.39722	1.0
477.06528	8.9
477.23242	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	477.1039
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
56.16622	0.2
59.01244	0.6
63.02274	0.4
65.00166	1.1
69.25198	2.2
71.01270	0.3
71.50488	0.3
78.78698	0.2
83.93491	0.2
89.00212	0.2
91.01771	0.3
93.03316	0.3
97.02840	1.0
98.20645	0.4
107.01266	0.4
108.02085	0.3
109.02813	2.6
109.99915	0.2
121.02838	5.3
133.02835	0.4
139.03856	0.2
147.00789	0.4
148.01567	0.4
149.02364	0.5
149.99542	0.5
151.00252	1.3
159.04303	0.3
163.00256	0.9
165.01839	14.9
166.02159	0.8
171.04442	0.6
175.03981	0.7
183.02911	0.4
183.04408	0.3
187.03943	0.8
193.01355	2.9
198.03041	0.3
199.03928	3.1
201.01898	0.9
203.03429	0.5
215.03519	1.4
225.01959	0.4
226.02577	1.7
227.03427	4.3
228.04105	0.9
229.01347	0.6
242.02081	0.5
243.02954	7.2
244.03401	0.4
254.02155	2.4
255.02899	3.1
256.03571	0.5
257.04657	0.5
259.06137	0.6
269.04532	2.6
270.01736	1.0
270.04587	0.3
271.02460	78.3
272.02844	6.7
282.01788	0.4
285.03952	2.7
286.04654	0.6
287.05685	1.3
297.04022	0.6
299.01947	100.0
300.02518	16.7
301.03021	0.9
313.03543	0.5
314.04303	89.0
315.05045	63.5
315.12650	0.4
316.05438	5.1
357.06210	1.0
358.06754	0.2
477.10345	82.2
478.03790	0.6
478.10721	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	476.278
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44457	0.6
70.10127	3.1
70.10464	0.7
71.72967	0.7
78.95778	64.2
86.79069	0.6
91.08021	0.6
96.96841	4.8
107.01335	0.6
140.01082	2.9
152.99493	9.6
171.00569	10.7
191.24997	0.7
196.03764	0.9
214.04788	2.5
223.22540	0.7
279.23291	100.0
280.23676	5.5
476.27847	36.2
477.28165	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	476.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58374	0.3
58.83301	0.3
59.01236	1.4
69.74648	2.5
71.01254	0.4
78.51623	0.4
78.95777	22.0
91.80135	0.4
122.00030	0.9
140.01088	5.3
152.99496	2.9
183.01022	0.4
196.03737	10.4
197.04192	0.4
214.04811	2.4
261.22189	0.6
277.21542	0.6
279.23282	100.0
280.23642	8.1
344.05270	0.5
386.04575	0.4
476.27814	23.5
477.28040	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	476.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	3.5
71.01249	2.9
71.56939	1.1
72.00795	4.2
72.99182	9.7
75.00738	11.2
78.95764	0.8
80.62070	0.6
86.18887	0.7
87.04420	0.7
89.02313	2.2
93.03339	2.9
96.95882	0.7
99.00755	2.3
101.02318	2.1
117.01823	1.2
119.03426	1.1
119.04915	8.1
129.01788	1.9
133.04964	100.0
134.05293	2.1
147.02908	0.8
163.03918	9.7
165.74986	0.8
175.06044	2.0
179.05453	0.8
180.06581	38.3
181.06961	2.2
205.07091	2.3
215.67567	0.8
235.08145	1.0
284.63556	0.7
370.27237	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37766	6.2
53.69276	5.3
55.81882	6.6
57.03323	28.5
59.01245	41.7
61.98705	100.0
69.88030	16.0
69.88445	26.7
71.01262	18.4
78.95778	18.5
82.03397	6.0
91.53669	6.5
98.19889	14.3
99.04398	32.6
101.02337	14.4
113.02323	6.7
114.05513	7.8
121.02822	32.0
122.03172	8.7
125.02347	13.2
128.03452	10.6
152.99474	13.2
197.11726	12.1
228.29231	6.5
301.03522	28.5
313.11050	10.1
314.11151	30.1
368.78311	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	476.1561
Annotation	CB3717
Peak:m/z	Relative Intensity
59.01249	7.9
59.12726	1.2
69.53537	1.3
69.86717	1.7
69.87126	5.7
71.01247	1.8
72.00777	9.2
72.21801	1.2
75.00733	2.1
86.02329	10.1
87.49997	1.3
89.02327	1.7
95.04899	4.5
100.62104	1.2
108.42120	1.2
118.06546	1.4
121.02845	3.2
123.04406	88.1
124.04775	2.2
131.04901	2.1
133.04956	3.5
133.06491	1.8
134.03680	1.5
135.04434	6.6
144.04568	1.2
146.03590	1.7
146.05962	1.7
147.04417	14.8
148.07660	2.6
149.06004	3.2
155.37917	1.2
161.05997	3.9
162.05589	2.3
164.04805	1.3
164.07048	2.0
168.53784	1.2
176.07045	4.5
177.05476	3.1
179.07069	3.9
180.07399	3.7
191.03415	8.7
197.20404	1.3
204.06612	1.6
205.04941	2.8
208.06091	36.8
209.03049	1.9
209.06329	3.1
219.06627	2.7
222.07732	8.4
232.27611	1.2
236.09225	4.2
237.09084	2.1
247.05966	1.6
249.09167	1.5
250.07195	14.0
264.08728	4.0
266.41986	1.5
267.10226	11.3
277.40518	1.7
292.08276	20.1
310.92673	1.2
315.12442	1.8
352.10345	11.8
353.10831	1.9
476.15585	100.0
477.16022	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	475.3432
Annotation	Oogoniol
Peak:m/z	Relative Intensity
57.03322	3.0
57.75513	1.0
59.01242	4.9
61.60176	1.0
69.03332	1.8
70.91273	2.4
70.91611	1.3
71.01231	1.3
73.02843	1.0
78.95760	6.7
81.03331	3.6
83.04890	2.1
95.04884	1.6
97.06521	1.3
99.04384	5.2
107.04902	1.7
109.06489	1.8
110.98420	1.6
121.06482	4.8
123.08076	5.8
125.09605	1.7
133.06483	1.7
149.09705	1.4
152.99503	6.0
193.12270	2.7
203.14420	1.2
207.13786	2.6
209.11806	3.5
221.11763	1.7
231.13910	1.9
233.15410	1.2
243.13780	3.6
245.15369	3.4
245.19066	23.2
246.19380	2.4
247.16978	3.0
260.17740	2.7
261.15112	2.0
271.20737	3.3
289.18146	3.7
295.22864	2.2
299.23801	25.3
300.24231	2.5
307.19257	3.4
311.22455	1.2
325.25159	1.5
363.27081	2.0
381.27951	12.2
382.27954	1.3
399.29010	21.2
400.29224	1.4
417.30032	3.3
439.32242	6.0
441.29962	4.7
457.33224	100.0
458.33545	11.4
475.34686	36.1
476.34732	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	475.343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	2.6
59.01249	1.6
60.82841	0.4
65.03835	5.7
69.03329	2.4
69.04789	0.3
70.33437	0.4
71.04896	4.0
71.57702	0.7
74.53876	0.4
75.00737	0.8
78.95781	11.1
83.04898	1.7
85.06459	1.3
93.03358	1.3
95.04922	0.6
97.06470	6.4
99.07485	0.5
99.08027	2.9
100.00293	1.2
107.85533	0.4
110.98414	4.7
113.09624	2.3
119.04864	0.4
119.08532	0.8
121.02853	3.4
121.06483	8.2
123.08072	0.7
125.09623	3.8
131.04956	0.9
135.04456	0.5
137.02377	0.5
137.09569	0.5
143.04466	0.4
143.10680	1.8
145.06522	1.4
147.04420	1.0
149.06033	0.9
151.07588	0.8
152.99509	3.9
153.12698	0.5
167.01067	4.1
171.10129	0.6
171.13898	1.8
173.00075	0.5
185.02110	1.7
185.11790	5.5
209.11736	3.3
211.13362	3.3
213.12804	0.7
225.12740	0.5
235.13388	7.8
236.13779	0.5
239.07050	0.5
243.13907	5.0
245.15485	1.0
247.16963	0.6
249.15039	0.7
250.15352	0.9
250.18419	0.4
254.05730	0.7
257.15457	12.0
258.15820	1.0
267.06549	0.6
267.13702	0.5
269.15469	1.0
269.21109	0.9
283.16965	0.4
283.20438	0.4
285.18671	1.1
289.18152	2.3
297.18622	0.9
307.19150	4.5
311.20306	0.5
313.21646	2.0
327.23138	0.4
330.15216	0.9
339.94101	0.4
341.21210	1.0
381.28259	1.8
387.17136	0.9
399.29037	27.8
400.29318	3.4
413.13992	0.6
423.28891	1.1
427.15091	0.4
427.24890	0.8
431.16281	1.5
439.32120	1.0
441.29984	0.5
443.15186	1.1
445.16565	0.9
457.33218	100.0
458.28613	0.3
458.33542	13.6
475.21762	8.2
475.28717	1.2
475.34363	20.1
476.21658	1.3
476.34689	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	475.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.6
57.03329	1.3
57.53103	0.5
59.01251	100.0
60.01602	1.0
61.98697	1.4
67.19988	0.4
69.73358	0.5
71.01250	7.7
71.57877	0.7
72.01604	0.6
72.46075	0.4
72.69967	0.5
72.99181	1.5
73.02841	1.8
75.00746	2.1
83.01270	1.5
85.02825	4.0
87.00736	1.3
89.02312	4.8
93.03333	7.4
96.95911	0.7
99.00764	0.6
99.04406	0.8
101.02311	5.4
111.00777	1.0
111.04487	0.6
113.02326	2.9
117.05343	0.6
119.03397	1.4
119.04945	1.5
121.02866	1.4
123.04424	0.7
125.02346	0.6
133.04971	1.7
134.03635	23.0
135.03969	1.0
136.01552	0.8
137.02342	16.9
138.02698	0.8
139.03957	0.7
143.03369	0.6
147.06514	0.8
149.05981	7.1
151.03806	0.5
161.04471	1.3
167.10750	0.6
178.02641	12.1
179.03009	0.8
179.05507	1.0
191.01938	0.8
193.04996	24.5
194.05333	1.5
195.10207	0.7
221.11833	2.8
224.10979	0.5
239.12770	1.3
242.03943	0.5
253.09166	0.7
265.10464	1.1
281.06647	19.6
282.06952	1.5
297.05920	0.7
313.11853	1.9
355.13068	0.6
357.13321	0.6
369.13199	0.6
387.10989	0.6
415.23148	1.0
431.13275	1.0
433.23972	0.6
447.13235	0.8
475.12360	16.5
475.18176	1.1
476.12717	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	475.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.7
58.00473	0.7
58.23355	0.7
59.01249	75.8
60.01603	1.3
66.47128	0.7
67.54076	0.6
68.02408	100.0
69.02135	4.8
69.02737	11.1
69.43439	5.1
71.01252	24.2
72.01602	1.0
72.99196	1.1
73.02818	5.3
75.00748	0.8
79.95606	1.0
83.01265	2.2
85.02821	9.1
87.00771	1.2
89.02312	11.4
90.02659	0.9
91.03982	0.6
95.01264	1.0
97.02801	0.9
99.00733	1.9
101.02326	12.7
102.02669	1.5
111.00761	1.5
113.02332	9.3
114.02600	0.9
117.40451	0.8
119.03391	4.8
125.02310	0.7
126.99467	1.1
128.99164	19.3
129.00111	1.3
129.99510	8.1
143.03423	2.2
159.02901	1.9
161.04462	11.0
162.90752	0.7
173.00819	0.7
179.05569	1.6
183.01143	2.6
197.02707	17.6
198.03407	2.9
209.02963	0.7
211.04259	1.7
221.11867	0.7
225.05879	0.7
230.02513	3.6
239.12852	1.6
253.18132	2.2
261.22476	0.7
265.07553	1.8
295.13742	7.5
295.19125	1.4
296.14133	1.1
313.03442	1.9
313.14655	5.0
406.11713	1.3
415.23355	23.9
416.23721	2.8
475.20026	58.6
476.20303	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	475.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00211	0.3
55.01755	0.9
57.03318	1.2
58.00471	1.8
58.21998	0.3
59.01249	100.0
60.01583	1.4
69.03313	1.6
69.79121	1.3
69.79536	0.8
71.01251	40.0
72.01599	0.7
72.99187	2.6
73.02817	36.7
74.03162	0.6
75.00771	1.1
79.09110	0.3
81.03361	0.7
82.38403	0.3
83.01256	11.6
84.02023	0.3
85.02821	12.2
85.72881	0.3
87.00759	1.4
89.02315	11.3
93.03338	2.4
95.01260	2.5
96.95876	0.9
97.02835	0.6
99.00780	1.2
99.04383	0.7
101.02319	39.0
102.02638	0.9
111.00763	4.8
113.02324	21.6
114.02657	0.5
115.03893	0.5
116.00770	0.4
119.03389	4.8
119.04991	0.3
121.02847	0.6
121.07369	0.3
125.02338	1.7
125.65833	0.3
129.01855	1.1
131.03387	4.0
133.04947	0.4
134.03632	2.9
137.02347	3.4
143.03406	3.8
143.04433	0.7
147.02939	0.8
149.04477	3.1
149.05949	1.0
154.99779	0.7
155.03455	1.0
161.04459	9.2
173.00819	1.7
178.02647	2.3
179.05565	1.2
179.47034	0.3
191.01965	1.1
193.04968	4.3
203.05502	0.8
209.02989	0.6
210.03120	0.3
221.06653	0.9
221.11665	0.3
239.12724	0.4
281.06760	2.0
415.23444	0.7
431.23627	0.4
433.47488	0.4
475.12463	3.1
475.21945	1.0
499.86200	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00468	0.3
59.01252	100.0
60.01599	0.9
61.98707	0.3
65.00178	0.3
71.01250	3.5
71.04886	0.5
71.57499	0.3
72.99192	0.5
73.02828	1.1
74.73167	0.3
75.00762	0.2
78.95786	1.0
83.01241	0.4
83.21292	0.3
85.02837	0.8
89.02325	2.5
90.82858	0.3
93.03331	0.6
95.01307	0.3
96.95906	1.0
97.02802	0.4
97.06493	0.3
101.02317	2.6
111.00792	0.4
112.43886	0.3
113.02354	1.9
119.03404	1.0
119.08582	0.8
121.02885	0.4
121.06489	1.0
125.09645	0.6
135.08083	0.4
137.02267	0.3
139.03893	0.5
142.02493	0.4
147.06581	0.3
161.04482	1.0
163.00302	0.5
164.01035	0.5
164.36934	0.3
165.01817	2.3
171.10236	0.8
185.02196	0.4
185.11792	0.5
196.84215	0.3
209.11775	0.4
211.13344	0.4
211.17003	0.7
214.02632	0.4
249.14752	0.4
266.29993	0.3
289.18103	1.6
292.09674	0.8
307.19272	1.0
313.03302	0.3
355.21246	1.9
373.22321	6.1
374.22607	0.4
415.23355	6.7
416.23889	1.1
418.84103	0.4
475.08847	3.6
475.20984	1.6
475.28622	0.9
476.09473	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00895	0.4
53.18525	0.4
56.58854	0.4
57.22397	0.3
59.01250	100.0
60.01582	1.1
70.41748	1.7
71.01251	4.0
73.02839	0.7
85.02827	1.1
86.15491	0.4
87.29073	0.4
89.02314	2.9
93.89085	0.4
101.02328	3.4
109.06476	0.5
113.02338	1.2
115.24367	0.4
119.03358	0.8
125.96839	0.4
147.06665	0.5
161.04453	1.5
176.32047	0.5
177.12724	1.6
183.01123	0.5
195.13834	21.7
196.14189	1.2
209.11798	0.5
211.13448	0.6
235.08363	0.4
239.12888	2.7
253.09294	1.7
261.09824	0.4
265.95294	0.4
291.32712	0.4
355.12885	0.7
355.21143	1.0
373.22220	4.0
374.22852	0.7
415.23511	3.5
475.21579	14.9
475.27905	1.0
476.22009	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	475.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	2.5
59.01249	15.3
69.03315	2.9
69.77779	8.5
69.78180	3.9
70.14689	2.0
78.95780	17.4
87.04425	2.7
98.19865	2.7
100.57340	2.0
109.06526	2.5
111.08041	4.6
123.08102	2.5
124.99993	5.0
130.00185	1.9
131.64209	2.0
141.01611	3.9
152.99503	6.8
170.00615	2.3
176.71227	1.9
181.02634	3.4
188.73923	2.1
193.12328	3.6
195.13850	5.9
199.03735	9.1
223.13391	9.3
249.18526	6.8
275.20038	10.7
277.18243	3.4
293.21237	100.0
294.21542	8.5
295.19302	3.8
305.24878	2.7
311.22229	6.8
332.49927	2.6
333.20462	11.8
334.21457	3.7
393.21249	3.1
431.31821	3.0
457.33194	8.6
475.24225	16.3
475.34131	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	475.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25418	1.9
54.28454	2.0
59.01239	4.3
65.73270	2.0
74.83989	1.7
78.95768	19.6
82.02086	1.9
114.83886	1.9
120.96828	2.5
128.34941	2.1
131.62849	2.1
147.67706	2.5
152.99498	8.0
195.00526	3.0
209.68176	2.1
213.01518	2.2
214.95084	2.1
229.26315	2.7
263.16504	15.8
277.21631	4.1
278.21957	2.9
279.23291	100.0
280.23572	7.4
283.45544	2.3
341.66647	2.3
455.09146	2.2
475.24683	14.2
475.34299	6.4
476.27615	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.5
57.03322	6.0
59.01254	17.8
65.01379	1.3
69.03331	2.6
70.87030	2.9
70.87365	2.4
71.01254	4.5
71.04897	1.5
75.00757	1.8
78.95771	27.1
80.02551	3.1
81.03339	8.1
83.01262	10.9
83.04900	7.7
85.02827	4.0
89.02395	1.5
93.03341	1.8
95.04917	3.8
96.46104	1.5
96.95893	1.4
97.02816	4.5
97.06473	11.6
99.04400	1.4
100.45662	1.3
109.06439	3.4
110.98407	22.5
119.08548	2.3
121.02825	5.2
121.06493	1.8
123.03645	1.6
123.04410	10.1
123.08057	4.1
125.06013	2.6
125.09616	16.2
131.27530	1.9
133.06482	1.6
135.07999	3.5
137.06000	2.3
137.09647	9.1
141.12746	3.0
145.35323	1.3
147.06526	3.1
149.06041	2.9
149.09573	1.5
151.11224	4.3
161.09563	1.7
163.11191	18.3
165.01791	3.8
165.12761	4.9
167.01015	7.3
167.10680	2.4
171.10217	3.4
177.12785	2.0
179.10721	3.0
180.07629	1.4
181.12300	5.9
185.02129	24.5
185.11766	13.7
187.86449	1.4
191.08974	1.7
191.10718	6.5
191.14354	16.0
197.11751	1.6
207.10201	10.6
209.11772	100.0
210.12100	5.7
211.13397	4.2
225.11281	9.4
231.13942	1.9
245.19086	39.3
246.19403	3.7
263.20105	4.5
271.17044	5.1
289.18100	99.2
290.18488	7.6
307.19150	70.8
308.19644	6.8
359.04132	1.5
401.23514	2.0
475.21057	50.0
475.27621	6.3
476.21588	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	475.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01732	1.6
57.03315	4.7
59.00982	1.7
59.01251	18.3
69.03329	2.9
69.82941	2.7
69.83350	3.4
71.01257	3.0
73.02817	1.7
77.88420	1.0
78.95777	62.5
80.02555	1.5
81.03329	4.7
83.01263	6.6
83.04905	3.3
84.80160	1.1
85.02818	2.1
94.98914	1.1
95.04916	2.9
97.02828	3.4
97.06492	6.6
98.20517	2.2
104.97357	2.6
109.06471	2.6
110.98410	43.1
113.02311	1.1
121.02787	1.2
121.06483	3.0
123.04403	6.8
123.08068	3.8
125.09594	12.5
135.08073	2.7
136.99989	2.0
137.05920	1.0
137.09628	5.6
141.12773	1.9
149.05989	1.9
151.11188	2.3
152.31747	1.1
152.99481	2.0
161.04486	1.1
161.09518	1.8
162.07339	1.1
163.07555	1.2
163.11203	12.1
165.12779	3.3
167.01062	45.1
167.10638	2.8
171.10141	2.4
179.10852	1.2
181.12256	4.5
185.02122	12.1
185.11719	9.6
186.12219	1.5
191.10722	2.5
191.14308	13.3
207.10178	7.8
209.11768	59.3
210.12096	4.2
211.13263	2.0
217.15921	1.7
225.11342	6.5
226.11954	1.4
227.18025	1.5
245.19055	26.1
246.19397	2.4
247.17014	1.7
263.20380	1.3
271.17087	1.6
289.18103	73.3
290.18356	5.4
307.19147	40.2
307.21991	0.7
308.19470	2.6
347.16870	2.0
433.28183	2.4
475.21048	100.0
475.27878	3.5
476.21417	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.21
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01783	0.9
57.03315	4.6
59.01242	5.3
64.65375	1.1
71.57239	1.4
71.57584	1.6
73.40504	1.0
74.10440	1.1
78.95774	27.4
80.02551	2.1
81.03328	5.0
83.01243	10.6
83.04891	3.3
95.04900	2.2
97.02819	4.6
97.06461	7.6
104.97353	1.6
106.04128	1.7
107.04828	1.2
109.06483	2.6
110.98416	18.6
121.06474	2.8
123.04436	7.7
123.08035	3.7
125.09601	14.0
135.08025	3.8
137.06029	1.3
137.09602	9.0
141.12706	1.5
149.06032	1.6
151.11157	2.1
152.82869	1.3
163.07549	1.8
163.11182	14.7
164.08440	1.4
164.11615	1.3
165.09123	1.0
165.12741	3.5
167.01051	8.8
167.10641	2.8
171.10156	1.3
173.09766	1.2
179.10707	2.0
180.13437	1.2
181.12273	3.8
185.00607	1.9
185.02122	20.7
185.11765	11.8
189.12788	1.1
191.10716	4.2
191.14331	15.4
197.11720	1.4
207.10159	6.4
209.11763	70.5
210.12093	4.6
211.13341	2.1
217.15923	2.5
221.78168	1.1
225.11281	7.0
231.10271	1.1
245.19069	32.9
246.19440	4.0
263.20132	2.6
271.17044	3.9
289.18085	100.0
290.18472	9.8
307.19135	60.7
308.19354	7.1
462.77191	1.1
475.21017	45.3
475.27817	2.4
476.21585	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	475.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	0.4
59.01251	12.2
69.03313	0.6
69.38002	1.3
69.38422	1.7
71.01237	1.2
71.04893	4.0
73.02824	0.7
78.95775	10.3
80.02537	1.0
80.96352	0.4
81.03319	1.7
83.04897	1.7
85.02810	0.4
87.00761	0.4
89.02314	0.4
93.03330	0.6
95.04902	1.7
97.06461	0.7
98.03578	1.1
101.02302	0.9
106.04124	0.9
107.04891	0.4
109.02839	0.6
109.06476	12.5
110.98416	9.0
111.04398	5.6
111.08019	1.4
113.02296	0.7
121.06461	0.8
123.08056	1.7
125.09611	0.3
127.07568	2.4
129.09056	0.4
135.08052	0.9
137.05965	0.6
137.09583	0.8
143.10652	1.1
145.06473	2.0
149.05957	0.4
149.09575	1.5
151.11163	0.9
152.99455	0.7
153.09062	0.4
155.10660	0.4
159.08025	0.4
163.11209	0.7
167.01057	2.9
167.10695	2.7
169.12241	0.4
171.10155	0.5
175.99968	0.4
177.12758	0.4
179.10678	1.3
181.12213	0.8
185.02129	8.5
191.14314	0.8
195.13814	2.4
209.11673	0.8
217.15750	0.3
235.13287	1.2
243.17525	0.4
245.19083	5.3
246.19437	0.5
249.14880	0.7
251.16447	1.0
271.17032	1.6
273.14944	0.8
287.16403	2.0
289.18088	100.0
290.18436	9.5
307.19162	8.6
308.19510	0.7
428.09140	0.4
475.21057	22.9
476.21600	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	475.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	0.4
59.01251	12.2
69.03313	0.6
69.38002	1.3
69.38422	1.7
71.01237	1.2
71.04893	4.0
73.02824	0.7
78.95775	10.3
80.02537	1.0
80.96352	0.4
81.03319	1.7
83.04897	1.7
85.02810	0.4
87.00761	0.4
89.02314	0.4
93.03330	0.6
95.04902	1.7
97.06461	0.7
98.03578	1.1
101.02302	0.9
106.04124	0.9
107.04891	0.4
109.02839	0.6
109.06476	12.5
110.98416	9.0
111.04398	5.6
111.08019	1.4
113.02296	0.7
121.06461	0.8
123.08056	1.7
125.09611	0.3
127.07568	2.4
129.09056	0.4
135.08052	0.9
137.05965	0.6
137.09583	0.8
143.10652	1.1
145.06473	2.0
149.05957	0.4
149.09575	1.5
151.11163	0.9
152.99455	0.7
153.09062	0.4
155.10660	0.4
159.08025	0.4
163.11209	0.7
167.01057	2.9
167.10695	2.7
169.12241	0.4
171.10155	0.5
175.99968	0.4
177.12758	0.4
179.10678	1.3
181.12213	0.8
185.02129	8.5
191.14314	0.8
195.13814	2.4
209.11673	0.8
217.15750	0.3
235.13287	1.2
243.17525	0.4
245.19083	5.3
246.19437	0.5
249.14880	0.7
251.16447	1.0
271.17032	1.6
273.14944	0.8
287.16403	2.0
289.18088	100.0
290.18436	9.5
307.19162	8.6
308.19510	0.7
428.09140	0.4
475.21057	22.9
476.21600	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	475.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20284	2.3
57.03319	6.2
59.01253	38.9
69.03308	2.3
69.95820	11.9
71.01234	3.2
73.02808	3.1
78.95779	38.7
81.03322	5.2
83.01254	8.4
83.04885	5.2
85.02841	5.0
86.14439	2.3
86.35625	2.1
93.03351	14.6
94.03689	5.5
95.01285	2.1
95.04892	9.5
96.95869	2.6
97.02850	6.5
97.06464	5.1
106.63654	2.1
109.06475	8.0
110.98414	30.6
112.82230	2.3
113.05971	7.7
121.06543	2.5
123.04401	7.4
123.08064	6.0
125.09616	17.7
126.99451	11.1
131.10455	2.2
135.08067	2.5
137.06018	3.0
137.09616	9.9
141.12761	3.4
142.02632	2.5
147.06526	8.6
147.81047	2.7
161.09578	2.1
163.11191	17.1
165.12782	4.3
167.01077	21.0
168.90948	2.0
171.10191	3.2
177.12779	2.4
179.10782	2.8
181.12245	5.1
185.02156	22.5
185.11765	14.4
191.10728	5.8
191.14348	18.9
193.12305	3.4
207.10246	11.1
209.11775	81.7
209.13760	4.3
211.13324	3.6
225.11235	5.3
236.47787	2.6
245.19073	33.4
263.20102	3.0
271.17017	5.3
289.18097	100.0
290.18494	10.6
307.19162	64.1
308.19516	5.5
383.20523	4.7
401.22064	3.5
475.20804	58.0
475.28003	8.7
476.21130	12.6
499.11508	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	475.21
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94389	0.4
55.01748	0.5
57.03310	0.4
59.01250	12.1
61.85597	0.3
61.98690	0.6
69.03299	0.5
69.43665	2.2
69.44073	0.7
71.01238	1.7
71.04887	3.5
72.99153	0.6
73.02798	0.8
75.00738	1.6
78.95776	9.6
80.02549	1.1
81.03326	1.2
83.04905	2.0
85.02795	1.3
89.02293	0.7
93.03329	0.9
95.04891	1.6
96.95860	0.5
97.06451	0.7
97.27127	0.4
98.03590	1.3
101.02326	1.2
106.04100	1.1
107.04910	0.7
109.02813	0.8
109.06474	12.4
110.06757	0.6
110.98405	8.3
111.04397	5.9
111.08025	1.3
112.05193	0.5
113.02308	1.0
120.05660	0.3
121.06469	1.0
123.04435	0.7
123.08021	1.5
127.07536	2.6
133.10094	0.5
135.08046	0.7
135.11754	0.4
136.07558	0.4
137.05962	0.8
137.09590	0.7
141.09114	0.4
143.10651	1.3
145.06461	1.5
147.06503	0.8
149.09598	1.2
151.11159	0.7
152.99474	0.8
167.01060	3.2
167.10706	2.9
171.10159	0.6
177.12810	0.9
179.10689	1.0
181.12204	0.6
185.00626	0.7
185.02130	9.0
191.14345	0.6
195.13837	3.2
207.17482	0.5
209.11687	2.3
223.13458	0.5
224.90953	0.7
227.17918	0.5
228.77504	0.4
235.13374	1.5
245.19092	5.0
249.15012	1.0
251.16559	1.3
271.16895	1.8
273.14877	0.4
287.16586	2.0
289.18085	100.0
290.18427	10.2
299.93277	0.4
307.19147	9.4
308.19540	0.9
475.21039	25.8
475.27734	1.4
476.21429	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	475.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	6.7
56.50688	2.1
57.03308	2.9
59.01250	14.3
59.76976	1.8
65.03833	59.3
69.03339	4.4
71.04895	39.9
71.57951	3.5
75.00755	3.2
78.95776	37.9
78.96218	3.7
79.35839	2.0
83.04903	4.2
89.17426	2.4
97.06472	68.5
109.06474	2.7
110.98415	22.5
111.34412	1.9
115.58215	2.3
119.08565	10.0
121.02833	4.5
121.06483	99.2
122.06847	2.8
123.08052	5.5
125.09618	43.8
137.09573	3.0
141.12732	2.7
147.04434	3.0
152.99510	9.8
162.47148	2.4
164.08420	2.8
167.01103	12.6
171.10204	2.7
185.02184	20.4
185.11769	85.5
194.96806	2.3
209.11787	44.6
211.13358	37.5
235.13362	100.0
236.13705	6.3
249.14908	10.7
250.15259	25.4
289.18100	23.9
290.18445	2.9
293.44452	2.4
307.19144	74.6
308.19370	7.2
405.58179	2.2
413.13864	3.3
443.15021	3.0
475.21103	68.8
476.21478	8.9
485.91321	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	475.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96285	0.3
57.03309	0.4
59.01249	36.4
71.01250	3.4
71.58066	0.3
72.99189	0.4
73.02820	0.9
75.00743	0.5
79.95613	0.9
83.01265	0.4
85.02812	2.0
87.00737	0.4
89.02314	2.2
99.00809	0.4
101.02321	1.9
106.06561	0.6
108.08092	1.4
111.00779	1.0
113.02328	1.5
115.91994	0.4
116.92725	0.8
119.03373	1.0
128.99252	0.5
135.04430	0.4
146.08073	0.4
147.06483	0.4
148.03940	3.2
152.07111	1.1
160.03946	1.8
161.04700	2.5
183.01141	5.1
184.01897	0.6
193.03746	1.7
195.13866	2.2
197.02704	26.6
198.03412	4.5
209.02840	0.7
209.11829	0.4
211.04184	1.8
211.13489	0.4
216.00900	0.4
230.02502	4.5
253.09431	0.7
267.11224	0.6
269.12958	6.8
269.15640	0.6
270.13431	0.9
277.12335	0.5
295.10913	5.9
295.13858	3.0
296.11255	0.7
313.03592	1.4
313.11902	5.5
313.14920	9.1
314.12216	0.5
314.15323	0.9
321.50787	0.5
329.86972	0.4
415.23419	1.6
443.65302	0.4
475.20166	100.0
476.20590	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	475.182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90955	3.0
59.01253	46.0
71.01258	41.5
71.57374	4.1
71.57835	5.7
73.02816	4.5
78.95776	13.8
85.02816	8.3
89.02318	43.7
91.82480	4.1
93.03347	18.4
96.95907	3.6
97.24857	3.4
101.02321	25.6
105.78954	3.4
108.67484	3.4
113.02325	8.9
113.07095	4.0
114.27444	3.8
119.03378	4.4
128.03493	5.4
131.03375	14.1
131.04903	3.6
133.05019	3.2
140.01086	4.8
143.04512	6.3
145.06459	3.8
147.04381	4.0
149.04443	31.3
152.99457	6.6
159.04427	3.4
167.83440	3.4
167.85025	3.4
171.10219	16.1
177.03302	13.3
191.05511	6.7
201.11281	9.3
231.08080	4.7
247.07428	6.8
253.08659	51.4
254.09088	5.2
255.94519	3.9
259.07687	5.2
261.12503	10.4
265.08606	8.4
267.10156	5.1
269.08054	7.2
277.08652	7.3
283.09595	37.3
295.09674	29.0
296.10110	6.5
313.10840	100.0
314.11057	5.1
415.16135	19.7
475.16071	30.0
475.21854	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	475.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49122	4.6
59.01242	12.4
70.77276	11.8
70.77647	9.7
71.01252	10.4
73.02853	8.1
81.74824	4.5
85.02833	7.1
101.02349	12.4
101.68062	5.2
113.02306	5.3
129.91380	5.4
135.43402	5.2
151.07552	37.7
173.63391	6.1
313.12927	100.0
314.13235	7.8
489.78430	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	475.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	49.5
63.07309	0.7
69.93329	2.7
72.99177	21.4
75.00746	16.4
86.19676	0.6
98.19884	0.8
131.87737	0.6
147.06528	100.0
148.06931	3.0
203.20995	0.6
270.38104	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59728	1.4
59.01255	40.2
59.29817	1.4
69.45233	1.5
71.01253	3.0
71.44334	3.0
75.00735	2.7
75.04795	1.4
76.50787	1.5
78.36488	1.3
85.02840	1.7
89.02330	2.5
96.95902	6.1
96.96854	3.2
126.13200	1.3
127.77888	1.5
128.03397	1.9
146.03639	34.0
147.04114	3.0
161.04691	2.0
161.05974	9.5
161.34453	1.4
164.04701	25.3
178.44659	1.4
179.07066	100.0
180.07419	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	475.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72890	1.4
55.01766	2.5
57.03330	1.8
59.01256	100.0
60.01596	1.9
65.03839	24.2
69.03343	1.5
71.01247	1.7
71.04890	13.0
78.95785	18.4
83.04906	1.6
86.27616	1.4
93.03372	3.8
95.04910	1.6
97.06473	26.7
110.98416	7.0
119.08556	2.8
121.02083	1.9
121.02872	16.7
121.06489	36.0
125.09625	16.6
147.04474	2.2
152.99493	5.9
157.06508	2.1
167.01068	2.6
175.07529	2.2
185.02184	7.1
185.11765	28.7
186.12183	2.2
209.11739	14.9
211.13345	11.2
225.46405	1.6
235.13373	36.9
236.13577	2.9
238.06255	2.0
249.14978	3.0
250.15297	4.9
251.16518	8.4
254.05914	5.4
265.08630	1.6
266.05853	9.2
267.06430	1.8
269.08307	3.7
281.08237	11.0
289.18091	8.6
307.19147	23.8
308.19437	2.1
382.12012	2.6
397.14539	2.8
415.15613	8.8
427.15952	6.9
427.25119	1.6
445.16507	10.1
457.16617	18.8
458.16800	2.5
475.21393	15.8
475.27368	2.5
476.23541	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	475.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59358	0.5
57.85151	0.5
60.88358	0.5
70.58224	0.4
71.16499	1.1
72.99175	12.3
75.00750	7.9
85.02840	1.2
133.04962	100.0
134.05305	2.1
178.90437	0.5
182.08719	0.5
188.74876	0.5
191.01927	0.5
209.02931	1.5
221.42552	0.5
221.97267	0.5
321.31912	0.5
404.62415	0.5
410.52512	0.6
450.80197	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1764
Annotation	Chushizisin I
Peak:m/z	Relative Intensity
53.36481	1.3
54.44867	1.3
56.65536	1.3
59.01246	3.9
69.48214	10.5
78.95777	2.6
93.03345	1.4
103.05421	2.0
119.04926	5.5
119.74541	1.3
121.02847	10.5
130.04147	12.0
131.04926	37.8
132.10950	1.5
147.04431	62.6
147.05598	3.0
148.04707	1.5
149.05992	13.5
152.99481	3.3
160.05203	2.2
209.06050	1.5
219.08066	4.0
223.07607	2.5
234.06827	2.6
235.07600	5.7
237.05492	5.4
237.09259	3.2
238.06213	2.7
245.06178	3.6
247.07600	8.1
249.05481	1.6
251.07179	2.9
251.23180	1.3
252.07898	5.3
252.42296	1.4
263.07138	11.5
264.07648	2.0
265.08658	25.7
266.05884	5.1
267.06656	4.8
275.07159	5.5
277.08383	1.5
279.06641	3.3
280.07404	27.4
280.10321	2.2
281.07965	8.0
284.06879	2.4
291.06323	1.6
293.08200	23.1
294.08823	2.9
294.57828	1.5
295.09744	8.6
307.09723	2.5
310.08313	1.8
325.10815	29.7
327.12479	4.1
351.12350	2.6
371.27264	1.3
382.12177	4.3
383.12939	3.0
385.14539	3.1
397.14496	3.2
409.14432	3.3
413.13968	94.8
414.14301	8.7
431.14987	3.6
442.14127	2.8
443.15149	3.1
445.16467	4.5
457.16669	22.1
458.17126	4.0
459.14294	1.6
475.17682	100.0
476.18011	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	475.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	100.0
59.01255	16.9
67.64684	1.6
70.07795	8.6
71.01247	2.4
73.52267	1.7
81.97056	1.8
93.03353	12.7
99.04398	52.3
101.02319	23.4
107.04951	2.2
119.04927	7.5
121.02847	33.5
125.02335	9.7
131.04932	6.2
133.02940	2.2
134.03673	2.4
135.04378	10.9
143.04974	2.6
145.02911	3.3
147.04456	3.5
149.05971	5.0
159.04451	3.6
161.04469	83.1
177.05479	4.3
210.06798	4.0
222.06747	2.5
223.07658	6.8
225.09207	7.7
235.07649	6.4
236.08284	2.1
237.09203	7.0
239.07062	2.8
247.07631	4.2
253.05977	3.3
253.08670	69.6
254.08936	4.7
259.07532	2.5
265.08673	55.1
266.09042	4.5
269.11713	4.1
277.08740	6.4
283.09753	52.7
284.10184	2.9
293.92197	2.1
295.09772	52.3
296.10098	4.1
301.10831	26.8
302.11362	2.1
313.10831	33.6
314.11255	2.6
325.10431	2.7
343.11795	12.2
355.11859	4.9
365.14059	2.2
383.15021	5.7
395.15067	3.3
445.15106	6.3
468.95599	2.2
475.16061	6.0
483.37146	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	475.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.6
58.00476	2.9
59.01254	49.0
69.43445	10.9
71.01255	30.8
72.99186	1.4
85.02844	8.7
87.00758	2.9
89.02319	26.2
93.03332	12.4
95.01279	1.7
101.02320	12.5
106.00552	1.3
108.02053	2.3
109.02842	20.2
113.02341	10.7
119.03382	13.7
121.02842	30.5
121.03680	2.3
130.04138	5.4
131.03430	1.6
131.04951	7.9
134.03696	1.8
135.04407	3.7
137.02335	3.3
143.03416	3.1
143.04898	2.8
145.02875	2.5
145.06520	6.3
147.04431	3.9
159.04405	1.5
161.04463	4.0
161.05930	1.6
171.04448	1.6
173.06012	6.9
179.05496	6.3
189.05563	1.8
193.05017	5.2
221.09654	1.8
237.09172	5.2
241.92136	1.3
247.07639	3.1
249.09161	1.9
251.07272	1.9
259.07672	4.1
265.08691	100.0
266.08966	7.9
267.09991	1.5
275.07138	1.7
277.08682	60.7
278.09113	4.6
281.06628	4.4
284.03217	2.1
295.09671	16.7
296.09854	1.6
299.05594	1.6
313.10843	2.5
445.15131	6.6
457.15152	9.1
475.11719	2.6
493.16251	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59719	0.6
55.73728	0.7
65.44244	0.6
77.26111	0.7
78.95776	100.0
79.25451	0.6
96.96836	7.8
104.58029	0.6
127.44418	0.8
142.32063	0.7
143.10126	0.6
152.99493	15.8
159.22760	0.7
171.00546	15.0
171.01894	1.2
177.49417	0.6
181.88152	0.8
214.04700	0.7
277.21725	1.7
353.06296	0.8
355.38498	0.8
400.22577	1.9
474.26224	52.3
475.26645	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	475.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14890	0.7
55.01752	0.8
57.03325	1.3
59.01250	27.5
70.91525	0.7
70.91858	1.9
71.01251	13.8
72.99174	1.8
73.02826	4.7
74.08420	0.6
75.00751	1.5
75.50933	0.7
78.95766	1.0
83.01259	2.2
85.02825	14.6
87.00755	1.5
89.02319	5.6
93.03334	39.3
94.03654	1.2
95.01249	2.6
96.95887	2.0
96.99194	1.6
99.00750	1.2
101.02316	11.4
108.02088	1.2
109.02834	1.5
111.00760	17.8
112.01100	0.7
113.02322	7.1
116.92751	2.2
119.03412	2.1
119.04878	1.1
121.02849	6.1
125.02299	1.0
129.01831	1.9
130.83064	0.8
131.04916	1.0
133.02811	1.2
134.03629	62.4
135.04272	1.2
136.01555	2.7
137.02338	64.4
138.02679	2.8
139.03957	3.8
143.03426	1.1
147.04410	2.2
149.02325	1.5
149.05989	22.4
150.03163	1.2
154.99762	2.2
159.04385	0.8
161.04472	1.7
173.00813	5.4
178.02625	46.5
179.03142	2.2
179.05537	0.9
191.01888	1.0
191.03424	2.0
193.04991	100.0
194.05324	4.8
209.02904	1.0
221.04517	1.6
239.05498	1.0
239.12820	1.4
265.08731	7.5
277.08725	3.6
281.06656	44.9
282.06970	3.2
295.09869	1.4
299.05576	0.9
306.07596	1.3
313.03482	2.6
332.83215	0.7
431.13397	1.4
475.12430	81.0
476.12714	10.2
476.50565	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59618	0.7
54.42147	1.1
59.01254	1.0
69.40421	2.7
69.40856	5.7
74.72026	0.8
78.95784	27.0
87.32999	0.8
98.20601	2.0
122.00024	1.2
134.42259	0.9
140.01105	5.7
152.99515	2.6
153.32980	0.8
196.03728	12.8
214.04701	2.3
233.22719	1.1
277.21732	100.0
278.22046	8.3
429.21893	1.0
474.26236	26.2
475.26974	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	474.198
Annotation	Unknow
Peak:m/z	Relative Intensity
60.56256	1.4
71.11832	4.3
72.00789	8.3
72.99179	9.5
75.00751	8.5
75.71358	1.6
81.05069	1.5
147.04529	25.6
147.06540	100.0
148.06865	2.6
157.54839	1.6
164.07091	79.5
165.07440	2.8
187.64003	1.4
226.12723	1.5
260.05692	1.4
286.63840	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	474.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	1.5
64.85806	0.8
65.70589	0.8
78.95778	9.2
84.27219	0.7
88.62149	0.7
93.78664	0.7
105.40170	0.7
121.81368	0.7
140.01082	3.0
152.99490	0.9
171.63445	0.8
196.03720	1.4
214.04718	4.2
229.68373	1.1
230.56328	0.8
277.21713	100.0
278.22046	8.5
386.35898	0.8
474.26318	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	473.3271
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
51.98447	0.6
54.87019	0.8
59.01245	0.8
59.49322	0.7
59.73332	0.7
69.03318	2.5
70.45083	2.9
78.95776	2.7
83.04892	2.1
109.06480	1.0
127.11192	2.6
127.75050	0.6
130.41382	0.7
135.12746	0.7
135.87163	0.7
147.07832	0.6
149.05986	0.8
151.07602	1.3
152.99487	0.9
156.78639	0.7
163.14815	1.4
193.12286	8.7
195.65608	0.6
196.03864	0.8
200.59424	0.8
209.15367	1.9
261.14859	1.9
263.16522	100.0
264.16901	6.8
277.21738	7.6
473.22668	1.1
473.32578	5.1
474.33234	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57806	4.4
56.07969	4.4
59.01252	81.8
71.01257	46.3
72.99168	5.3
75.00741	6.3
78.95777	15.2
85.02872	6.2
89.02322	47.2
101.02319	20.4
113.02332	13.3
119.03365	13.6
121.10138	10.1
159.23494	4.8
162.83820	7.6
171.10172	18.2
179.05498	10.9
229.86639	6.3
275.20090	33.6
276.20563	5.5
277.21719	100.0
278.21860	6.8
293.21292	31.1
391.18146	25.0
392.18484	7.0
473.23190	10.2
474.27261	5.7
477.19144	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	473.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76105	0.8
59.01247	3.7
69.28751	10.3
78.95771	11.6
79.64721	0.9
102.28906	0.9
134.04599	3.5
139.01561	2.2
140.02602	1.1
152.99525	2.6
153.42674	0.9
195.04201	2.1
213.05272	4.0
277.21719	100.0
278.22049	6.9
293.21054	2.0
303.23318	2.8
314.33942	1.0
317.58307	0.9
322.97827	1.0
343.73395	1.0
473.26566	4.5
473.32797	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	473.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	12.9
67.96136	2.7
70.26360	8.0
70.26753	4.4
71.01250	9.0
78.95785	15.6
79.67770	2.4
86.19732	2.8
89.02310	10.5
96.32198	2.3
101.02266	2.8
179.05544	3.4
189.06467	2.6
195.00633	2.9
196.03706	6.5
207.19310	2.9
208.45808	2.9
277.21719	100.0
278.22055	5.2
293.21188	12.8
354.09924	3.9
385.18597	2.7
473.23157	7.0
473.32483	3.0
474.26346	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	473.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58248	0.3
57.03334	0.6
59.01250	100.0
60.01582	1.1
67.51572	0.3
68.02428	0.4
71.01264	1.3
72.99150	0.4
73.02829	0.4
75.00757	0.4
78.95783	1.3
81.76187	0.3
85.02840	0.9
89.02332	0.5
96.95908	0.5
97.06470	0.5
101.02314	0.7
102.29126	0.3
110.98427	1.1
125.09650	1.8
133.02888	0.6
134.03647	0.4
135.08072	0.9
147.04379	0.4
171.10258	0.9
185.02133	0.5
187.09741	0.6
209.11871	0.5
217.00298	1.4
229.14494	1.2
238.89229	0.4
249.15239	0.5
287.16586	1.4
305.17587	4.0
473.19907	2.2
473.27502	2.4
474.28506	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86927	1.0
57.03661	0.9
59.01253	100.0
60.01585	0.9
71.58026	1.3
78.95786	4.8
152.99464	1.4
174.99219	1.1
189.62927	1.0
217.00230	2.2
247.36516	0.9
315.11310	2.2
363.90723	1.1
401.70825	0.9
455.31500	1.5
473.32797	3.5
474.25784	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57925	0.7
55.35830	0.6
59.01245	2.1
70.22113	1.4
70.22536	2.4
71.01256	1.3
78.95774	10.9
80.27934	0.6
89.02333	1.6
98.16514	0.6
120.96861	2.8
124.07566	0.6
138.97908	1.9
152.99483	4.1
195.00560	5.0
196.03667	0.8
208.41676	0.7
213.01630	1.5
277.21735	100.0
278.22067	6.9
293.21274	1.5
354.09613	1.0
473.23172	11.6
473.32861	2.3
474.26019	2.4
487.86795	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	98.1
58.03652	1.8
59.01252	49.2
68.99713	1.4
71.01255	22.7
71.58036	2.4
72.99173	5.7
73.02828	17.1
75.00373	1.6
75.00735	8.6
78.95775	2.8
79.66013	1.2
79.95638	1.4
81.03334	3.7
83.01256	7.6
85.02818	6.8
89.02322	7.4
92.24434	1.4
93.03364	2.4
97.06500	3.2
99.04398	60.5
101.02319	37.7
111.04444	1.5
113.02327	7.4
113.05990	3.0
119.03435	2.8
123.04424	12.7
125.02335	35.1
125.09633	5.4
126.02711	1.7
127.03844	1.5
131.03464	1.4
141.05467	3.2
143.03430	4.5
147.06520	27.1
153.05518	1.8
161.04471	9.6
165.74445	1.3
167.10695	100.0
168.11047	5.1
171.10178	3.1
179.05553	3.6
191.10854	2.8
192.20285	1.4
200.27443	1.3
208.93271	2.3
209.11787	5.0
229.14536	1.6
244.67952	1.3
246.17012	1.2
250.07069	1.2
263.07776	2.6
269.09485	1.6
305.08884	2.2
305.17636	2.1
323.09796	6.9
454.10101	1.6
465.50458	1.4
473.21280	2.5
473.27335	15.6
474.25183	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	473.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66220	5.0
53.27245	4.9
59.01249	100.0
63.37953	4.7
67.63314	4.9
70.59109	9.0
70.59464	12.7
71.01254	65.4
72.99179	7.5
73.06171	5.0
82.04248	4.5
85.02841	10.2
89.02319	64.1
96.95873	9.4
97.93808	4.7
101.02312	31.4
112.81348	4.8
113.02322	33.8
119.03420	34.0
143.03378	10.7
161.04486	15.0
179.05548	77.1
236.44405	4.6
239.06660	5.6
271.63657	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61219	0.2
59.01244	0.6
66.00854	0.3
68.02409	100.0
69.02110	0.3
69.02744	0.9
70.57910	0.6
78.95776	23.2
96.96840	1.9
98.93362	0.2
100.96284	0.2
101.05961	2.0
109.29565	0.2
124.97897	0.8
126.99453	0.8
141.98198	2.3
151.08717	0.2
152.08202	2.1
152.99503	4.2
160.84106	0.3
162.83830	0.6
162.96501	0.2
166.09787	1.7
168.76027	0.2
171.00577	4.2
211.05327	0.2
217.00314	0.3
222.00697	0.3
234.00713	0.5
235.12334	0.2
235.14464	1.2
250.00206	5.9
250.02756	0.4
251.00392	0.4
262.15582	4.5
263.16006	0.5
292.08707	0.4
293.30652	0.2
400.22577	0.3
404.14017	0.4
438.08310	0.4
474.26257	13.7
490.21866	0.2
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
55.01759	6.9
55.79955	0.8
57.03320	4.8
58.00460	2.1
59.01251	100.0
60.01585	1.7
60.81743	0.7
62.09896	0.6
68.49404	0.6
68.99716	0.7
69.03329	2.1
71.01252	74.5
72.01617	0.8
72.99181	4.2
73.02818	26.3
75.00743	1.8
83.01260	17.1
84.02068	1.0
85.02821	36.4
86.03142	0.8
87.00736	5.7
89.02316	20.8
92.53051	0.7
95.01264	5.4
97.02843	3.1
99.00751	10.5
101.02321	85.7
102.02676	1.9
111.00739	1.0
112.01563	1.1
113.02328	32.6
119.03384	8.3
125.02342	4.3
129.01843	0.9
143.03403	6.8
154.06108	0.8
159.02884	5.6
161.04466	26.3
161.05817	1.5
179.05559	3.3
205.03537	1.0
210.04787	0.7
229.23383	0.9
243.18733	0.7
252.56378	0.7
263.06570	0.9
269.10300	28.2
269.13101	1.6
270.10709	2.2
311.11377	7.8
413.14517	1.1
431.15564	79.7
432.15924	8.9
473.16483	9.5
474.17401	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00453	5.3
59.01251	100.0
70.72712	5.2
70.73114	5.7
71.01255	69.6
72.99194	17.8
73.02829	5.4
78.95789	4.9
85.02816	18.0
87.00760	3.6
89.02322	79.0
90.02658	3.3
93.03350	17.4
95.01286	5.4
101.02317	36.7
103.00229	4.5
113.02332	39.2
115.05362	4.7
119.03402	30.0
119.04950	20.5
131.03387	7.8
133.01334	3.3
143.03419	7.2
143.04982	5.7
144.71750	2.8
147.04446	3.6
159.04395	5.2
161.04472	4.4
161.05858	3.1
166.90489	3.3
179.05539	8.5
193.03516	32.2
209.11790	3.8
213.49458	3.2
237.09221	3.3
248.08569	3.2
249.09175	93.7
250.09538	7.3
263.06976	4.7
281.08255	14.4
293.08154	27.9
443.13989	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	473.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	6.9
55.79955	0.8
57.03320	4.8
58.00460	2.1
59.01251	100.0
60.01585	1.7
60.81743	0.7
62.09896	0.6
68.49404	0.6
68.99716	0.7
69.03329	2.1
71.01252	74.5
72.01617	0.8
72.99181	4.2
73.02818	26.3
75.00743	1.8
83.01260	17.1
84.02068	1.0
85.02821	36.4
86.03142	0.8
87.00736	5.7
89.02316	20.8
92.53051	0.7
95.01264	5.4
97.02843	3.1
99.00751	10.5
101.02321	85.7
102.02676	1.9
111.00739	1.0
112.01563	1.1
113.02328	32.6
119.03384	8.3
125.02342	4.3
129.01843	0.9
143.03403	6.8
154.06108	0.8
159.02884	5.6
161.04466	26.3
161.05817	1.5
179.05559	3.3
205.03537	1.0
210.04787	0.7
229.23383	0.9
243.18733	0.7
252.56378	0.7
263.06570	0.9
269.10300	28.2
269.13101	1.6
270.10709	2.2
311.11377	7.8
413.14517	1.1
431.15564	79.7
432.15924	8.9
473.16483	9.5
474.17401	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53215	0.8
57.03323	0.7
59.01250	10.9
64.38114	0.9
69.06531	0.8
69.35590	7.9
69.84040	0.8
71.01260	3.3
72.99186	0.8
74.75858	0.8
75.00762	2.4
78.95770	3.4
87.00752	1.3
89.02325	3.3
89.19272	0.8
93.03334	2.4
95.04995	0.8
96.96874	1.5
101.02325	2.0
103.01701	0.8
109.36194	0.7
110.79770	1.0
113.02341	1.8
115.00266	0.8
119.03381	0.8
119.04916	3.2
121.02867	2.1
123.04381	1.1
128.03404	1.2
129.03345	3.3
131.04552	0.9
143.04945	5.2
145.06487	3.4
152.99568	1.2
156.05725	2.2
157.96996	0.8
181.08618	0.9
207.08105	3.2
219.08102	3.0
220.08693	1.4
221.09669	2.4
231.08122	0.9
233.05998	3.3
234.06763	7.3
235.07513	1.4
237.09167	10.8
243.23415	0.8
246.06969	4.3
247.07622	43.6
248.08357	25.1
249.09181	83.2
250.09460	5.4
267.10217	3.7
281.08035	0.9
293.08197	100.0
294.08582	8.6
311.09210	7.2
311.12878	3.2
392.30325	0.9
473.18222	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97427	2.4
59.01249	25.9
67.15607	2.3
71.01250	24.1
71.18080	4.8
72.99187	23.0
73.02818	7.1
75.00749	5.2
78.95763	9.3
85.02845	13.3
87.00748	4.5
89.02313	10.7
93.03336	6.6
95.01270	3.7
96.96883	2.4
99.00779	2.6
101.02325	8.1
103.00261	6.6
104.65099	2.5
106.67101	2.4
108.87011	2.4
113.02313	21.6
119.01466	2.4
119.04919	9.0
121.02852	13.7
128.03381	3.1
129.03300	3.6
131.03360	5.2
143.04921	6.5
145.06502	18.7
152.99481	3.5
156.05721	3.2
160.05217	8.8
192.29500	2.3
193.03464	63.6
221.09497	2.8
223.07698	3.4
234.06796	7.0
236.08412	9.7
237.06987	4.5
237.09186	55.8
238.09529	3.7
247.07605	45.3
248.08392	22.8
249.09171	81.6
250.09534	7.1
267.10309	24.7
272.08694	2.5
281.08167	6.2
286.01086	2.5
293.08221	100.0
294.08572	10.0
311.09238	54.2
311.12601	3.9
312.09671	3.4
330.01779	3.1
413.17874	5.0
473.18051	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	472.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96320	1.0
59.01255	7.6
63.67954	0.9
67.54040	0.8
71.57710	1.4
78.95775	10.0
83.04942	1.1
89.93405	0.9
106.41293	1.0
107.03889	1.0
112.23047	0.9
115.14436	0.9
140.01086	3.6
141.01515	1.3
152.99500	1.9
158.23520	0.9
160.84146	1.2
162.83850	2.1
177.16447	1.4
196.03712	2.0
214.04749	6.6
231.21091	4.4
275.20154	100.0
276.20554	6.5
281.38461	0.9
305.19922	0.9
472.24619	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	472.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	31.3
68.10661	0.9
71.01252	2.7
71.57106	1.1
75.19196	1.1
78.95782	16.8
89.02293	2.1
97.26403	0.9
98.17260	0.8
101.02309	1.8
119.03440	0.9
119.04851	1.2
125.09599	1.0
127.11201	6.6
130.08626	1.3
134.45435	1.0
152.99487	4.7
155.03236	0.8
155.10654	1.7
161.05849	0.9
168.04218	3.1
171.10139	2.1
173.11758	100.0
174.12061	2.9
201.30077	0.9
211.87584	0.9
219.47881	0.9
224.03146	0.9
224.06839	5.2
225.11246	1.3
227.22276	0.9
228.88771	1.1
242.07964	1.5
275.35098	0.9
293.08188	1.8
295.10294	3.3
296.10764	1.9
398.19476	65.5
399.19693	3.7
428.25162	1.0
442.98483	1.0
472.21545	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89388	1.1
59.01255	27.2
69.55528	1.3
71.01261	6.1
73.02819	2.7
78.95777	6.6
80.79053	1.4
89.02309	1.8
94.85356	1.2
98.19816	2.5
101.02332	4.7
113.02348	1.9
127.11188	4.9
128.03421	1.7
139.96530	1.4
152.99493	3.7
171.10213	5.3
173.11754	100.0
174.12071	3.9
191.46794	1.3
225.11259	2.8
230.14755	1.6
242.07925	1.3
281.08273	1.7
293.08200	4.2
295.10513	1.7
398.19409	33.7
422.16245	1.3
431.15585	3.8
473.17911	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	472.1977
Annotation	CHEBI:68265
Peak:m/z	Relative Intensity
59.01254	3.9
68.02380	0.5
68.99678	1.8
70.58278	0.4
71.01235	1.3
80.71681	0.4
83.01279	0.5
85.02818	1.7
92.04972	0.4
93.03336	20.2
94.03677	0.8
96.99165	0.5
99.00749	1.0
101.02332	0.4
106.41413	0.4
111.00764	8.3
112.01558	1.0
112.02476	0.4
118.64389	0.4
125.02325	1.6
126.99462	1.3
129.01848	0.6
134.06003	0.5
138.03157	0.5
144.00566	0.6
154.99736	1.1
156.11992	0.4
172.07536	1.1
173.00821	3.2
173.07387	0.4
176.03436	0.5
176.07233	0.5
177.04234	2.0
190.05023	16.7
190.12331	0.4
191.05785	10.6
202.05045	0.7
203.05797	0.6
204.06589	10.7
205.06906	0.6
208.13309	0.5
209.03110	0.6
216.06592	1.8
217.07368	2.9
218.08218	0.7
220.13330	0.8
223.04756	2.9
232.09750	0.5
246.11281	1.3
251.08179	0.5
252.27353	0.4
264.08890	0.4
274.14328	0.5
288.12561	1.4
300.12421	4.0
301.09454	0.4
301.12698	0.6
306.13458	15.5
307.13712	1.4
318.13443	38.3
319.13782	3.8
330.13614	0.8
378.15414	1.2
412.17639	24.3
413.17877	3.7
424.17456	0.6
454.18591	2.1
472.19733	100.0
473.12564	0.8
473.20056	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	472.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76901	0.1
58.00440	0.2
59.01251	4.1
66.00819	0.1
68.02409	65.4
69.02112	0.4
69.02741	0.7
69.40571	1.3
71.01250	2.8
72.99187	0.1
73.02820	0.4
83.01266	0.3
85.02824	1.2
87.00774	0.1
89.02312	3.2
91.01774	0.4
91.92101	0.1
92.71252	0.1
95.01243	0.2
101.02309	2.0
105.67679	0.1
113.02343	1.4
117.86057	0.1
119.03393	1.6
126.99456	100.0
127.99788	3.3
131.03423	0.2
143.03419	0.4
149.02240	0.2
149.04424	0.2
151.98976	0.5
161.02316	0.3
161.04517	0.8
166.79570	0.1
179.05518	0.7
208.02727	0.4
236.53738	0.2
263.11328	0.3
275.11313	0.4
336.70135	0.2
403.11670	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.1
59.01246	1.7
62.01950	0.1
68.02410	25.0
69.02752	0.2
69.42505	1.0
70.86046	0.1
71.01255	1.8
72.99147	0.1
73.02821	0.4
83.01247	0.3
85.02825	1.0
87.00793	0.1
89.02322	0.8
91.01785	0.3
95.01289	0.1
98.19789	0.2
98.60078	0.1
99.04405	0.3
101.02325	0.9
111.00757	0.6
113.02322	0.8
119.03398	0.4
126.99458	100.0
127.99796	3.4
128.99223	0.1
143.03383	0.2
151.99004	0.4
161.04471	0.7
173.00868	0.3
173.08218	0.2
179.05534	0.3
208.02892	0.2
209.60071	0.1
263.11450	0.3
275.11395	1.2
403.11786	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3478
Annotation	Odoratone
Peak:m/z	Relative Intensity
58.34275	0.4
59.01244	1.5
69.40070	3.8
72.17086	0.5
75.76495	0.5
77.30020	0.5
98.19780	0.6
126.99489	0.6
197.47957	0.5
387.21539	0.6
423.32639	1.3
453.33734	2.2
471.34784	100.0
472.35114	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	471.3481
Annotation	HEDERAGENIN
Peak:m/z	Relative Intensity
57.03314	0.5
59.01249	3.5
61.98700	1.0
66.98987	0.5
70.99148	0.7
70.99484	1.2
71.01244	2.0
75.72757	0.5
82.50371	0.5
83.04879	1.0
89.02332	2.0
96.50102	0.5
101.02271	0.6
112.47454	0.6
129.51729	0.5
147.33716	0.6
152.99362	0.5
228.71402	0.6
291.19580	2.2
301.91434	0.5
342.21585	0.5
383.93869	0.6
389.16379	1.4
409.30887	0.7
419.60730	0.6
441.33762	1.6
453.33569	2.2
471.35281	100.0
472.35608	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	471.3477
Annotation	Hispidone
Peak:m/z	Relative Intensity
57.03320	4.4
59.01245	0.4
60.99177	0.5
64.03357	0.2
67.05923	0.3
70.24380	1.2
71.01245	0.4
77.00386	0.3
83.04874	1.4
96.96228	0.2
101.19771	0.3
103.11012	0.3
190.27963	0.3
196.87642	0.3
197.90413	0.3
241.21722	0.3
381.31750	0.5
393.31476	1.5
394.31989	0.4
407.12360	0.3
409.30942	0.4
411.00076	0.3
423.32623	0.4
425.34216	0.4
441.33734	1.3
453.33673	5.7
454.34000	0.8
461.59802	0.3
471.34790	100.0
472.35135	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	471.3116
Annotation	Kuguacin Q
Peak:m/z	Relative Intensity
57.03328	1.8
59.01259	9.3
69.03311	4.9
71.58324	2.8
78.64914	1.4
78.95778	4.6
86.27929	1.6
93.03329	6.6
97.02824	2.6
109.02827	10.1
111.04387	2.0
114.47337	1.7
119.04928	2.4
121.02808	2.4
123.00783	3.6
125.02374	1.8
138.96288	1.5
141.01505	1.6
145.02835	1.8
145.06477	3.7
149.09624	5.2
151.11194	5.4
163.03827	2.0
171.10170	5.0
207.13838	11.3
209.15388	1.9
221.11681	1.6
243.13847	9.0
245.15359	5.8
255.13803	2.8
265.18073	26.7
271.13300	5.7
281.15485	2.1
283.13428	8.4
283.16144	1.6
285.14877	6.6
289.18048	2.0
297.14932	2.2
298.15759	12.7
299.16412	12.8
300.16684	2.4
323.20193	2.7
329.16437	7.8
375.23401	1.8
377.24615	4.7
395.25958	24.5
396.25586	2.3
413.26865	3.4
435.28741	5.1
453.30103	46.1
454.30389	4.4
471.31055	100.0
472.31561	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	471.26
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	15.0
59.01255	24.4
70.68311	6.1
71.01261	33.2
71.04903	9.7
73.02827	18.7
75.54534	2.1
78.95788	3.7
83.01308	3.6
83.44795	2.4
85.02835	8.4
85.99984	2.4
87.00761	29.3
89.02328	4.7
96.91022	2.4
97.02854	2.9
97.06503	2.5
99.00763	26.3
99.04403	7.9
101.02324	71.8
113.02361	10.4
118.02625	4.0
120.46722	2.6
121.10123	7.5
123.04415	2.4
124.01582	2.5
124.23572	2.1
125.02361	9.0
125.09605	6.4
137.09618	9.9
143.04593	2.7
152.99478	3.2
159.02817	2.4
161.04460	4.6
165.09135	18.4
171.10155	19.8
177.12657	3.2
178.04756	25.6
185.11794	6.1
209.11787	2.7
231.17642	3.3
235.17001	18.9
237.14949	4.8
243.17461	3.5
251.16492	21.5
263.16769	2.9
265.18106	2.6
273.18817	2.3
275.16592	9.2
275.20178	23.4
276.20724	2.6
280.23868	2.6
285.88394	2.6
287.16599	5.3
289.21689	2.5
291.19641	37.0
293.17584	23.5
293.21201	22.4
309.20715	100.0
310.20987	5.1
315.19574	9.2
323.18570	3.9
327.19528	3.5
333.20749	22.7
345.20786	7.4
351.21783	54.2
352.22412	4.5
363.21729	8.9
364.41086	2.6
381.22873	32.6
411.24005	19.5
427.11841	3.4
471.25790	17.4
471.32272	3.4
471.34326	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	5.4
59.00583	3.3
59.00940	3.9
59.01258	55.4
62.00168	3.0
69.03329	3.4
69.37422	30.8
71.01254	44.4
72.99189	3.1
73.02812	11.2
78.95768	3.3
83.01257	4.1
83.04905	3.6
85.02850	16.7
85.06464	12.1
87.00754	10.7
89.02318	24.4
95.01299	3.5
99.00765	8.7
99.07981	2.9
101.02332	47.8
111.08041	2.7
113.02339	25.0
113.98028	2.8
119.03372	6.4
125.02307	4.3
152.99506	4.6
161.04469	6.8
171.10185	3.3
178.04761	9.5
187.61794	2.9
195.13760	6.4
197.11798	4.2
211.13371	6.0
221.15231	5.3
223.17027	12.2
233.15359	8.5
235.16962	4.8
251.16534	50.1
287.16605	4.5
291.19666	63.5
293.17709	5.2
293.21265	9.6
309.20706	84.8
310.21268	3.8
333.20883	6.9
345.20850	8.1
351.21561	4.6
363.21759	4.3
381.22879	13.2
413.21796	10.5
449.90500	3.1
471.15875	4.5
471.25961	100.0
472.26218	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	471.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63899	1.7
54.64174	2.0
58.00477	2.0
59.01251	46.6
61.98704	4.8
64.01809	1.8
69.52422	15.8
71.01257	40.6
85.02828	4.2
86.43017	2.0
87.00744	2.5
89.02319	49.2
101.02303	13.3
105.20581	1.8
113.02328	12.3
119.03426	11.1
127.40458	1.9
143.03371	3.6
154.99020	1.8
161.04463	3.2
162.83813	4.8
164.83530	4.9
165.12767	18.9
177.79512	2.0
179.05524	11.8
197.41704	2.2
247.20647	8.9
273.18597	5.6
291.19659	100.0
292.19885	11.1
398.91837	1.9
409.45059	2.6
471.03342	2.4
471.34924	62.3
472.03094	3.2
472.35052	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	471.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.5
57.03314	1.6
58.00472	4.1
59.01250	100.0
60.01590	0.8
61.45297	0.7
69.45964	3.5
69.46371	2.3
71.01249	53.3
72.99188	6.0
73.02807	1.4
83.01260	3.2
85.02820	12.4
87.00758	1.8
89.02313	54.6
90.02635	1.1
95.01272	3.9
98.19706	1.6
101.02321	32.7
113.01693	0.6
113.02330	21.4
119.03384	28.8
131.03410	2.6
143.03407	2.6
147.47932	0.8
149.04491	2.3
151.76770	0.7
161.04494	1.5
175.14842	0.9
178.85216	0.7
179.05548	5.3
195.13751	1.0
229.19492	5.7
261.18561	5.3
263.20166	1.2
273.18573	40.1
274.18997	3.3
279.19601	3.1
291.19647	51.9
292.20068	4.6
293.21304	1.1
306.16272	0.7
309.20660	10.3
310.21039	1.1
471.25983	63.5
472.26346	7.7
474.18454	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01579	0.9
70.28333	2.3
71.01250	7.6
72.99174	0.8
77.61356	0.5
83.01262	0.7
83.04903	0.9
85.02821	4.1
87.24053	0.5
89.02315	7.4
95.01252	1.1
95.04916	1.0
98.20127	1.2
101.02332	5.7
106.77724	0.5
107.04906	0.5
113.02320	7.9
114.93199	0.7
119.03399	2.4
120.05730	1.4
129.90224	0.5
135.04401	0.6
147.11696	0.5
157.06528	1.2
159.08136	1.4
159.11671	2.1
160.15514	0.5
161.04430	1.5
161.13271	10.9
169.10217	0.8
172.08847	0.8
179.05597	1.5
185.09686	0.8
185.13324	1.7
187.11201	29.0
188.11555	1.6
203.14334	1.3
205.12263	38.5
206.12689	2.4
215.14413	0.6
223.13332	1.8
229.12312	10.3
230.12727	1.0
247.13400	2.7
249.11292	8.1
250.11591	0.9
259.13382	1.4
265.14417	3.2
277.14529	0.7
289.39816	0.7
291.12476	1.1
300.99844	0.6
309.13416	16.6
310.13864	1.8
471.18314	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16877	0.5
58.00448	0.6
59.01251	100.0
69.37043	5.0
71.01247	7.3
71.01604	0.6
72.99204	0.6
73.02818	0.7
83.01275	0.6
83.04921	0.5
85.02819	3.3
89.02319	6.0
93.06964	0.5
95.01266	0.9
95.04898	0.8
96.95895	0.7
99.04420	0.5
101.02306	5.4
101.02791	0.4
111.00774	0.6
113.02341	4.0
117.52876	0.5
119.03401	3.0
119.04934	0.9
120.05705	0.5
135.04443	0.5
145.02887	1.4
150.06754	0.8
159.08073	1.8
159.11700	1.4
161.04520	1.5
161.13261	8.2
162.13617	0.8
163.03908	1.2
172.08925	1.1
179.05548	1.3
183.62225	0.5
185.09677	0.6
185.13356	0.9
187.11220	22.9
188.11557	1.1
203.14389	0.9
205.12289	42.5
206.12654	2.2
211.13350	3.1
223.13405	1.2
229.12268	5.6
247.13417	1.4
249.11281	9.8
265.14566	1.6
267.12393	0.7
291.12424	1.5
309.13425	22.4
310.13882	1.8
367.17764	0.7
411.16861	1.5
444.74799	0.6
471.19049	2.7
471.25961	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	2.2
55.57270	0.7
58.00466	4.3
59.01249	100.0
60.01598	1.0
71.01251	59.5
71.04893	2.5
71.15067	2.1
71.83747	0.7
72.01614	1.0
72.99172	4.9
73.02822	2.3
80.96387	2.8
83.01244	3.4
84.53475	0.7
85.02339	1.0
85.02821	13.2
85.99950	0.7
87.00709	3.9
89.02316	58.7
90.02641	1.0
91.06302	0.9
91.52881	0.7
95.01283	3.6
101.02325	34.0
113.02328	22.3
117.03332	5.7
119.03390	26.4
131.03398	2.7
132.02051	6.4
132.39337	0.8
133.02786	1.2
134.03629	45.5
135.03986	1.6
143.03368	3.1
144.41978	0.8
149.04449	1.6
149.05991	3.0
160.01561	46.0
161.02196	3.6
161.04431	1.6
164.98495	0.9
175.03920	70.7
176.04257	3.9
179.03186	0.9
179.05502	3.2
193.04991	31.6
194.05371	1.0
219.10193	1.8
232.07365	3.5
247.09721	93.7
248.10069	8.8
277.09283	10.2
295.10330	37.3
296.10724	2.5
309.11917	22.2
310.12253	1.6
427.16006	4.0
471.15167	13.3
471.24527	2.0
472.15726	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.8
58.00459	1.4
59.01254	100.0
65.03832	1.4
65.84412	0.9
68.51569	0.9
69.03329	1.8
69.81804	2.9
69.82205	2.4
71.01257	36.4
72.99174	2.8
73.02821	36.1
75.00766	1.3
78.95776	2.4
81.03320	1.1
83.01264	13.0
85.02831	5.4
85.90501	0.9
87.00752	1.3
89.02321	10.1
93.03347	5.0
96.95927	1.1
96.96834	1.0
97.02837	1.4
99.00721	1.5
100.44902	0.9
101.02328	36.0
111.00784	1.4
113.02328	12.6
115.05397	1.6
117.03308	1.7
119.03379	2.5
119.04916	15.9
125.02306	1.3
131.03429	4.5
143.03413	3.2
143.04910	1.7
145.02866	7.9
146.62796	0.9
149.04448	4.1
152.99449	1.2
160.27513	1.0
161.04471	7.3
161.13301	4.5
163.03912	11.2
176.00766	0.9
185.12961	0.9
185.84914	0.9
187.11247	7.8
191.05495	1.2
203.14336	1.4
205.10506	1.5
205.12288	15.0
207.13988	1.2
211.13295	2.6
223.13420	1.3
229.12329	3.6
235.13390	2.1
247.13394	1.8
248.08374	2.3
249.09181	54.2
249.11273	3.1
250.09602	4.4
267.10291	1.5
307.08176	3.7
309.13446	3.6
338.03568	1.1
441.00659	0.9
453.26773	1.2
471.21750	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	471.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00446	1.3
59.01249	43.2
68.95126	1.1
70.73714	3.3
70.74112	1.1
71.01246	25.9
72.55315	1.0
72.99169	2.7
78.95774	4.5
78.98466	1.6
79.05068	1.1
79.95580	1.4
80.96390	13.9
85.02831	6.5
87.00726	1.8
89.02316	31.9
94.97937	2.2
95.01244	1.5
98.51400	1.1
101.02319	14.5
113.02325	11.2
119.03383	10.7
125.02296	1.2
134.03642	10.5
135.04240	1.4
143.03365	2.1
151.08611	1.2
152.99548	2.8
160.01550	4.3
164.98471	1.5
171.10144	1.5
175.03981	5.8
179.05484	2.4
193.04973	3.1
204.20232	1.1
207.10222	2.6
219.25404	1.2
225.00725	2.3
225.11264	2.6
235.05865	1.7
243.12299	2.3
247.09798	5.6
277.09558	1.2
295.10324	100.0
296.10764	5.8
471.15573	24.1
471.34656	1.1
472.16003	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	470.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	72.4
59.01250	100.0
61.98707	7.0
63.88152	5.2
67.29583	4.9
69.98122	29.3
71.01259	49.5
72.99220	6.1
73.02824	18.6
74.02351	5.6
78.95750	15.4
81.03291	6.3
81.74862	5.2
83.01263	10.7
83.04895	5.3
85.02831	16.7
87.00791	6.3
89.02332	18.7
93.05188	6.8
99.04395	83.3
101.02336	49.4
111.01901	6.0
113.02315	16.5
114.99208	8.2
123.04426	14.9
125.02367	37.3
128.03423	6.2
145.62221	6.1
146.02451	6.8
146.05992	18.7
152.99489	10.2
161.04482	20.3
164.07042	7.0
179.05522	14.8
258.11349	8.1
259.63620	5.6
290.10281	11.6
308.11328	10.4
326.08707	7.5
424.36819	5.6
470.32047	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.1
55.95008	0.3
57.03315	0.8
58.00465	1.0
59.01251	26.5
60.01590	0.3
66.00845	0.7
68.02411	100.0
69.02126	0.3
69.02744	1.0
69.03326	0.5
70.03951	0.4
70.55073	1.0
71.01254	35.1
72.01597	0.3
72.99171	1.7
73.02824	1.1
75.00784	0.3
76.37403	0.2
83.01257	1.9
85.02831	4.1
87.00755	5.0
87.04391	4.4
89.02319	12.9
90.02644	0.3
94.03982	0.7
95.01268	1.5
97.06482	0.3
98.19975	0.4
99.00778	0.7
101.02326	8.9
111.00754	0.9
113.02334	6.2
116.01054	0.3
117.05466	17.6
118.05803	0.3
119.03394	6.1
126.99459	68.1
127.99812	2.2
129.01802	1.0
129.05476	0.5
131.03410	0.6
141.05499	0.3
143.03424	0.8
143.07027	0.4
147.55057	0.3
150.06635	5.4
151.98955	0.3
159.02922	0.5
161.04434	0.7
165.05527	0.3
166.06149	0.7
167.06993	0.4
171.06522	0.4
179.05501	0.6
204.11096	0.3
208.02840	0.7
209.03682	0.6
234.00732	2.8
235.01324	0.4
237.95042	0.3
240.63197	0.3
243.08719	0.7
257.05807	1.0
261.09747	2.5
278.06946	1.2
290.07065	0.3
308.08261	0.4
315.11832	0.5
342.13049	2.4
380.10214	1.2
470.13336	8.8
471.13739	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.0
57.03323	1.3
58.00472	1.3
59.01249	27.5
66.00833	0.5
66.62997	0.2
68.02408	100.0
68.99677	0.2
69.02097	0.7
69.02750	0.9
69.03310	0.2
69.36012	1.9
70.03963	0.4
71.01251	34.4
71.04916	0.3
72.01605	0.5
72.99178	1.3
73.02817	0.9
74.64180	0.2
75.00751	0.3
75.38075	0.2
83.01244	1.2
85.02821	4.0
87.00748	5.3
87.04386	4.0
89.02318	13.3
92.68277	0.2
94.04004	0.5
95.01260	1.1
99.00774	0.6
99.04409	0.6
101.02321	9.5
103.00253	0.3
111.00737	1.3
113.02332	6.8
117.05462	18.1
118.05800	0.6
119.03390	5.7
122.07154	0.2
125.02379	0.4
126.99454	65.6
127.99787	1.9
129.01819	1.1
131.03380	0.5
137.04108	0.2
137.05991	0.4
141.05536	0.3
141.06516	0.3
143.03410	1.0
149.04482	0.5
150.06635	5.3
151.98952	0.3
152.08211	0.3
159.02863	0.6
161.04491	1.1
162.95277	1.3
163.95633	0.6
164.94989	0.6
165.05443	0.3
166.06100	0.8
166.09822	0.3
167.07039	0.6
168.07713	0.2
171.06444	0.4
179.05540	0.8
180.07597	0.3
181.04199	0.4
183.06554	0.3
208.02745	0.6
209.03691	0.7
225.07631	0.2
234.00697	2.8
243.08733	1.0
246.09448	0.2
257.05875	1.3
261.09753	2.5
272.30817	0.2
278.07019	1.6
308.08224	0.4
312.11127	0.3
342.13004	2.0
343.13470	0.2
380.10361	1.0
393.00134	0.2
401.10205	0.3
470.13290	9.0
471.13486	0.9
472.50281	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99185	1.1
62.16324	0.5
66.22185	0.4
71.33089	0.5
71.57877	0.8
78.95773	0.8
97.06480	2.5
126.99444	3.4
153.01642	0.5
195.00529	0.6
255.23293	2.7
314.83026	0.5
351.26648	0.7
374.31189	0.5
406.63550	0.6
407.33136	9.7
408.33521	1.7
421.31134	1.4
423.32712	6.6
424.32928	0.8
425.34143	0.9
451.25403	0.5
451.32108	14.2
452.32501	2.0
469.33185	100.0
470.33511	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17379	0.8
70.18980	2.0
70.19371	2.4
75.25549	0.9
77.19156	0.8
78.95775	6.7
79.43609	0.9
80.85703	0.9
98.19938	1.1
152.99486	14.6
171.00696	1.0
225.00017	1.0
227.03264	3.3
228.75346	1.0
231.53596	0.9
241.21696	100.0
242.22015	5.4
245.04396	1.3
264.01535	0.9
347.91245	1.0
469.25717	26.8
470.26068	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	469.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61853	0.3
59.01248	1.0
71.01257	0.6
71.57703	0.7
96.71682	0.4
97.06474	1.5
104.86354	0.3
111.45434	0.3
123.08034	0.8
152.34103	0.3
152.99461	0.4
159.04167	0.6
162.83925	0.5
166.49162	0.3
172.53912	0.3
245.11494	0.8
255.23283	1.9
351.26837	1.4
379.30014	0.6
395.33041	0.6
407.33243	4.9
408.33255	0.8
421.31198	1.0
423.32748	0.5
425.34641	0.4
433.30872	0.6
439.32092	1.7
440.32306	0.6
451.26764	0.5
451.32162	3.0
452.32568	0.7
467.31540	0.6
469.33203	100.0
470.33566	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	469.2574
Annotation	Bacilysocin
Peak:m/z	Relative Intensity
71.13561	1.3
78.95770	6.4
92.56109	0.5
94.29751	0.5
99.83820	0.5
107.19006	0.5
152.99496	14.1
157.84875	0.6
168.88713	0.7
171.00542	1.2
175.85504	0.6
210.06943	0.6
227.03244	3.2
239.75021	0.5
241.21696	100.0
242.22050	5.9
245.04201	1.4
308.36005	0.6
314.94595	0.6
469.25671	22.0
469.32309	1.0
470.26050	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	469.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.5
59.01251	3.1
68.99694	0.4
69.03330	0.3
70.17555	1.3
71.01250	1.3
71.04878	1.1
73.02818	1.2
75.89157	0.3
81.03330	0.4
83.04912	0.7
85.02784	0.7
89.02315	0.4
93.03323	0.4
96.95906	0.4
97.02817	2.6
97.06470	1.0
99.00753	9.7
101.02316	1.0
101.58052	0.3
109.06466	1.0
109.82088	0.3
110.03597	0.6
113.02355	0.5
123.08058	0.3
125.09597	3.3
135.08087	0.4
136.05170	0.5
136.97227	0.3
142.02629	0.7
153.12735	0.7
155.14294	0.6
160.95563	0.5
163.11185	4.5
171.10179	1.2
181.12267	18.5
182.12596	1.2
187.09697	1.3
197.11720	1.1
199.11465	0.5
199.13322	10.9
200.13689	0.5
207.10204	22.8
208.10565	1.5
211.13432	0.6
225.11269	41.0
226.11673	2.4
243.12343	100.0
244.12677	6.1
247.16867	0.3
261.11063	0.3
265.17831	0.5
292.95584	0.3
300.10162	0.3
309.09396	0.3
310.13242	0.3
380.63657	0.4
407.24393	0.7
425.25439	1.9
426.20676	0.4
427.23260	0.5
469.24405	16.6
470.24792	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	468.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02859	3.9
59.01259	1.5
59.44125	1.4
60.76890	1.4
61.73743	1.5
71.56746	2.5
71.57103	1.4
73.02831	1.5
73.03951	4.6
78.95784	18.0
83.97068	1.5
87.05502	7.2
97.03957	1.8
98.02353	5.6
98.02996	1.5
110.02356	1.7
112.03919	2.7
114.05497	57.7
115.05862	2.0
122.98453	4.6
125.09621	5.5
126.06634	7.7
127.05031	2.3
129.06584	8.8
135.04459	2.0
137.09550	1.7
139.08701	3.5
144.07686	33.8
152.99495	12.2
153.10265	2.5
155.11815	4.2
166.08649	2.3
167.19157	1.4
168.07677	17.6
169.06158	1.5
173.42239	1.5
183.11333	6.2
185.09225	3.4
185.11824	2.5
186.08769	60.1
187.08865	1.5
229.14410	2.0
243.12384	9.0
243.16052	1.9
254.18718	7.3
311.20966	3.6
353.18417	3.6
382.24435	3.4
383.14737	4.3
468.24759	100.0
469.25272	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	469.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	4.1
57.03328	5.6
59.01254	20.1
65.03834	26.6
69.31054	27.9
71.01260	15.4
71.04894	46.0
73.02812	10.9
85.02842	5.4
87.00747	61.6
95.04937	3.0
96.95888	4.3
97.02819	3.8
97.06470	43.3
98.93916	3.1
99.00751	5.9
99.04443	2.8
101.02334	43.1
109.42824	2.4
116.53109	2.5
118.42684	2.6
119.08578	2.8
121.06487	50.0
123.08041	7.4
125.09608	26.0
130.93335	2.4
133.06512	2.7
135.08054	9.1
135.84508	2.5
152.99574	3.6
163.11243	3.1
171.10188	5.9
178.04694	5.0
184.44966	2.8
185.11778	36.3
209.11775	13.8
211.13293	15.8
219.13756	5.5
227.12787	7.7
235.13354	36.2
235.16985	5.1
239.12883	5.1
249.15038	5.7
289.18033	14.8
291.19669	100.0
292.20004	5.5
305.17453	4.5
307.19156	60.2
313.17886	5.5
331.19177	22.4
331.22833	3.7
343.19098	35.8
344.19366	3.9
349.20242	26.0
355.19019	3.3
361.20148	4.7
373.20337	5.6
379.21237	13.8
391.21048	5.9
409.22293	12.7
469.25577	3.5
494.72699	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	467.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	3.5
59.01245	13.1
61.98682	2.3
62.11810	2.0
68.02401	2.8
70.71478	2.0
71.01247	2.9
71.56954	3.0
71.57317	2.9
75.07380	2.2
78.53335	2.2
78.95774	67.0
85.02831	22.9
96.96828	6.7
110.03504	4.0
121.10091	2.8
128.99174	5.0
129.01857	2.6
146.81493	2.4
147.02896	4.2
152.99489	100.0
153.99763	2.9
171.00592	19.2
178.52840	2.1
191.01945	6.9
191.39290	2.2
197.02737	8.5
204.06171	2.4
209.11757	2.2
227.03232	7.8
239.20102	54.8
240.20493	3.9
245.04282	75.4
245.06737	4.4
246.04642	3.3
251.49297	2.1
285.47601	2.4
291.19672	8.5
325.18417	19.5
407.13754	5.4
467.24185	92.8
468.24805	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	467.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.0
69.53712	1.6
69.54125	3.4
78.95774	14.7
78.96214	1.1
96.96854	1.3
118.84967	0.6
150.97881	0.7
152.99498	26.8
171.00475	1.1
227.03256	4.7
239.20128	100.0
240.20534	5.8
245.04228	2.2
277.21719	1.7
389.19470	0.6
467.24103	28.7
468.24832	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	467.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18457	0.7
54.02377	0.6
55.97937	0.6
59.01250	2.3
64.47721	0.6
70.91476	1.4
71.01265	0.8
78.95786	10.2
79.86878	0.6
134.27068	0.6
149.03976	0.7
152.99486	18.5
167.51057	0.7
171.00488	1.0
175.66568	0.8
218.42961	0.6
227.03223	4.2
239.20132	100.0
240.20461	5.4
241.21724	2.0
242.21980	2.6
245.04289	2.2
467.24124	27.8
468.24557	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	467.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.0
59.01256	5.3
61.01630	0.8
69.63995	5.5
71.01218	0.7
78.95773	49.2
80.96365	1.2
81.77275	0.9
85.02813	8.4
93.03329	0.8
96.96834	4.9
98.20521	1.7
126.99416	1.1
152.99484	81.6
153.99832	2.0
154.06129	1.4
171.00542	17.8
179.06833	0.9
191.01848	2.7
197.02748	2.6
212.27365	0.9
227.03275	6.0
239.20117	100.0
240.20480	9.3
245.04283	94.1
246.04672	2.8
269.02823	0.9
291.19635	2.5
293.21149	2.2
300.22897	0.9
309.66513	0.9
325.18460	6.3
353.04315	1.0
407.14148	1.1
467.18433	2.4
467.24146	62.7
468.24509	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	467.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50210	1.4
59.01246	3.5
61.98700	1.7
71.01283	2.4
71.51036	1.7
71.57355	2.4
72.99184	5.1
73.02859	1.7
75.00756	11.3
78.95763	7.8
85.02863	1.6
92.51626	1.7
113.99451	2.4
116.92745	7.0
117.01825	4.4
119.04928	1.9
121.02855	12.9
126.39114	1.6
135.02902	5.5
152.99503	9.4
154.99962	3.7
174.01620	100.0
175.01978	2.9
181.24376	1.4
194.67326	1.4
223.07739	1.9
235.07976	1.7
239.07176	3.1
250.06142	2.0
251.07100	11.5
261.05301	1.6
261.09213	2.4
263.10703	2.3
275.10898	1.5
275.20062	7.5
277.21771	1.8
331.19220	5.1
347.18695	6.6
349.20139	3.3
419.12955	1.9
437.13956	9.2
449.13742	23.6
450.13992	1.7
467.15619	1.6
467.23145	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	467.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	6.6
61.98706	3.2
70.19498	1.5
71.01226	2.7
71.57268	2.9
71.57623	1.6
72.99188	8.6
75.00748	11.1
76.75712	1.5
78.95776	14.4
83.01272	2.5
86.18362	1.6
88.47030	1.3
96.96860	2.1
100.86059	1.9
106.40997	1.8
113.99460	2.9
115.32954	1.7
121.02858	2.0
135.02864	8.4
150.41373	1.7
152.99515	18.1
154.99902	2.6
156.00520	2.1
174.01622	100.0
175.01944	3.9
178.49393	1.9
180.77274	1.5
188.59433	1.6
233.35034	1.5
275.20154	7.3
281.79160	1.5
325.09613	2.3
331.18967	3.6
343.52414	1.6
347.18616	6.1
349.20078	4.7
407.20694	1.7
464.20856	1.8
467.22424	2.8
467.28491	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	467.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06118	3.0
55.95612	2.7
59.01261	21.6
71.01263	35.8
71.57928	3.5
71.58315	3.7
72.99178	7.9
73.02824	9.3
74.59716	3.2
75.00766	27.0
78.95771	14.7
83.01251	5.6
85.02821	8.9
87.00718	4.0
89.02308	13.7
97.02863	3.3
99.00786	3.5
101.02328	19.6
109.29992	3.0
113.02321	9.6
113.99487	5.5
125.02317	3.5
125.09612	7.3
126.99470	3.6
135.02942	19.8
152.99487	17.0
161.04503	7.6
174.01630	100.0
187.09717	5.6
214.91129	2.7
275.20197	17.5
277.21713	8.4
331.19174	13.0
333.20697	3.8
347.18588	22.0
349.20245	8.1
350.06738	4.9
352.19116	2.7
387.30060	3.9
407.17386	3.8
467.29910	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36098	4.1
57.03326	24.0
58.02853	4.8
59.01262	41.7
68.77227	4.1
69.36023	36.3
69.36445	10.3
71.01266	17.2
72.99184	4.6
78.95783	26.3
85.02827	6.6
89.02333	5.9
94.62185	4.3
96.95889	7.7
98.19848	9.6
99.04398	20.9
101.02335	12.6
107.04939	5.0
114.05515	36.5
125.02335	8.4
126.06676	5.7
134.03635	19.6
135.04439	14.3
144.07701	22.4
145.01451	4.2
152.99489	10.1
160.06358	21.7
161.04462	9.9
161.07123	71.4
165.05522	6.3
168.07753	13.2
175.08737	40.7
183.11356	4.7
186.08743	36.5
187.08809	6.3
189.06641	100.0
201.10181	11.0
203.08203	37.3
203.11879	9.9
229.09752	22.6
243.12373	7.2
253.08571	4.8
254.18658	9.0
255.73772	5.5
256.81097	5.0
305.11420	60.0
323.12494	96.8
324.12970	5.3
365.13376	5.2
461.65857	4.6
467.21353	25.2
468.24936	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.5
68.47527	0.7
71.34328	0.7
71.57653	1.2
74.35545	0.7
78.95777	18.6
136.01659	0.7
149.38860	0.7
152.99484	1.8
154.02669	3.4
179.65343	0.7
210.05318	8.0
228.06438	1.5
255.23271	100.0
256.23605	5.2
466.29407	21.2
467.29828	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	467.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.1
57.03325	47.8
58.00462	1.3
58.03622	0.9
59.01250	26.9
69.69334	3.3
69.69760	2.2
71.01251	8.7
71.09492	0.9
72.99192	1.8
73.02830	1.8
75.00755	1.0
83.01264	2.8
84.02055	1.4
85.02821	54.8
86.03136	1.3
89.02313	3.3
98.19877	1.3
99.04392	21.3
101.02322	11.6
111.00767	15.3
119.03384	0.8
125.02365	7.7
129.01842	6.1
134.03629	1.4
145.07622	3.8
147.02930	8.7
154.99765	2.4
159.09328	0.9
160.06334	12.3
161.04478	10.9
161.07109	39.8
162.07523	2.0
171.10233	4.9
173.00822	8.2
173.10840	1.3
175.08676	30.3
176.09012	1.3
182.09825	0.9
185.10745	1.4
187.08722	3.9
189.06618	72.2
190.06932	2.7
191.01900	16.6
192.02342	1.0
201.10207	7.6
203.08209	32.9
203.11833	8.7
204.08530	1.8
209.02974	6.0
229.09769	18.5
230.10039	1.7
245.09303	1.0
275.09372	1.3
277.11981	2.7
305.11429	68.3
306.11642	3.9
323.12457	100.0
324.12811	8.9
365.13580	13.3
366.13806	1.5
375.20255	0.9
405.16714	1.6
467.16690	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	466.2937
Annotation	1-heptadecanoyl-glycero-3-phosphoethanolamine
Peak:m/z	Relative Intensity
51.38023	1.1
61.97623	1.0
71.57704	2.0
78.15858	1.2
78.95780	32.4
82.66020	1.2
96.96852	2.0
106.21845	1.3
140.01068	4.7
152.99490	12.2
171.00510	2.4
196.03749	8.8
199.05191	1.3
214.04631	1.8
269.24857	100.0
270.25198	5.4
277.21631	1.6
466.29376	26.2
467.30606	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	465.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00185	1.2
59.01254	1.8
67.62464	1.1
69.16060	1.2
69.54842	1.3
69.93673	6.2
98.20544	1.7
110.39238	1.3
127.11177	2.7
153.12749	2.3
169.12206	1.6
171.10179	61.2
172.10521	1.9
181.12253	6.8
197.11690	1.4
199.13443	1.4
211.13422	2.3
219.81296	1.1
249.22144	3.4
265.21658	1.5
293.21213	24.5
294.21555	1.9
311.22275	100.0
312.22568	11.4
353.22763	1.4
372.96606	1.2
447.31186	7.6
465.31985	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	466.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86924	1.0
57.03324	24.0
59.01254	7.3
62.39668	0.9
69.03316	2.4
71.57207	1.7
76.27887	1.3
78.95776	26.7
82.02838	1.1
83.04908	1.5
85.02821	5.8
89.02350	1.4
96.96842	3.0
97.06530	1.4
99.04422	8.7
101.02332	6.4
111.08047	8.4
122.98421	5.7
125.02364	1.8
140.01079	3.9
145.07616	21.6
152.99495	9.2
161.04446	4.4
165.12761	100.0
166.13094	4.9
167.04562	1.0
168.04189	2.2
181.12216	1.7
183.13815	17.7
188.08209	14.3
191.10722	1.2
196.03738	6.5
209.11803	8.9
214.04668	1.2
214.09799	11.3
215.10136	1.5
222.24019	1.0
224.06848	2.0
227.12813	17.5
241.14386	6.0
242.07924	3.4
251.16466	1.6
256.10901	5.9
268.10852	1.6
269.17578	24.8
270.17389	2.9
304.13107	8.2
322.14108	20.3
323.14334	1.4
400.73080	1.1
407.14859	2.8
424.62619	1.0
466.22110	28.7
466.27524	1.6
467.22348	4.4
481.32101	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	465.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.7
58.02840	1.3
59.01250	6.7
60.36962	0.5
62.85241	0.5
69.03349	0.9
70.02852	0.6
70.98011	1.1
71.01250	6.9
73.02818	1.3
75.47683	0.5
78.95783	2.1
79.91993	0.5
81.03333	9.0
83.01255	0.9
83.04903	26.7
84.04421	1.8
84.05233	0.7
85.02833	1.8
86.62385	0.4
87.00739	1.1
89.02324	4.4
91.32470	0.4
95.01289	0.8
95.04903	1.2
96.96844	0.7
97.06474	0.5
98.02360	23.8
101.02323	5.8
107.06037	0.6
108.04439	1.2
108.54685	0.5
112.03958	1.3
112.07567	2.3
113.02305	2.7
119.03413	1.5
125.07124	3.1
125.09631	2.4
126.05503	1.6
127.11192	2.5
128.03418	0.6
129.10289	0.6
132.60442	0.5
143.08116	0.9
150.12599	0.5
152.99503	2.0
155.08215	0.5
157.13414	0.7
161.04485	1.7
165.12798	0.6
167.14291	1.2
171.10193	1.3
179.05527	1.1
179.60512	0.5
183.13867	0.8
185.11789	1.9
197.12872	0.7
207.14957	1.9
209.11809	2.4
211.13348	5.7
221.12949	0.5
224.17677	8.6
225.16039	11.4
225.18085	0.8
229.14423	100.0
230.14789	5.8
241.14511	2.3
242.18636	1.2
253.09274	22.6
254.09605	1.1
268.16620	1.2
281.18677	0.8
320.23309	0.8
333.22986	4.3
337.26169	1.3
338.24451	1.5
351.24100	3.5
352.22430	5.9
369.20874	0.7
369.24930	2.7
373.10495	0.5
373.18640	8.9
374.18997	1.4
381.25110	1.2
391.19720	6.8
391.27072	0.6
409.28302	1.5
419.30194	0.7
420.28574	1.5
429.28601	1.4
437.31467	2.6
447.29797	23.0
448.17371	1.0
448.29858	1.9
465.30811	80.5
466.20889	0.7
466.31137	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	465.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.9
57.03322	6.7
58.00469	1.4
59.01249	21.8
60.01567	0.2
67.01765	0.6
68.99679	0.5
69.03323	2.3
69.43146	0.2
69.43542	0.9
71.01251	81.9
71.04887	0.1
72.01585	1.2
72.01978	0.2
72.99178	2.6
73.02817	10.2
74.03182	0.2
75.00751	0.5
78.95776	1.7
80.96346	0.2
81.03334	0.4
81.06953	0.2
83.01257	7.4
83.04910	0.1
84.01572	0.1
84.02037	1.7
85.02821	58.8
85.99976	0.3
86.03151	0.9
87.00750	4.6
87.04369	0.3
89.02316	17.9
90.02646	0.4
95.01260	19.5
95.04891	1.2
96.01611	0.5
96.95889	0.5
96.96822	0.2
97.02820	2.0
97.06495	0.2
98.19904	0.2
98.20546	0.2
99.00755	6.2
99.04395	0.1
101.02320	18.1
102.02657	0.4
111.00780	0.7
112.01554	2.9
113.02328	100.0
113.05875	0.7
114.02664	2.6
115.03876	0.5
119.02558	0.3
119.03387	4.8
123.00854	0.2
123.08057	0.1
124.01572	1.0
125.02340	1.5
127.00239	0.1
131.03389	0.8
133.04964	2.7
133.13196	0.1
137.02321	0.4
139.00235	1.1
142.02647	0.3
143.03395	3.0
149.04402	0.3
152.99496	2.7
159.02800	0.2
161.04459	4.8
161.05809	0.3
163.14803	0.4
174.01608	0.4
179.05528	0.5
189.16440	0.2
203.17914	0.3
207.17410	0.2
211.13339	0.4
215.18008	0.8
233.19063	0.4
294.02835	0.1
303.23114	0.2
321.24307	0.6
336.55930	0.1
351.21671	0.2
395.76654	0.1
417.26389	0.1
447.27267	0.1
465.22394	0.9
465.28519	10.5
466.22729	0.2
466.28799	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	465.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	20.0
60.99826	2.3
69.75329	17.3
70.85069	2.3
71.01261	23.7
72.99191	3.2
73.02821	4.6
74.62312	2.5
75.32852	2.2
78.95786	11.3
83.01240	2.6
85.02847	10.1
89.02337	9.3
97.85624	2.6
101.02305	13.1
102.12527	2.6
113.02349	8.9
117.96143	2.5
125.09612	3.7
127.11241	2.6
143.04523	5.7
151.69749	2.6
152.99512	3.0
164.07106	2.8
171.10120	3.2
175.96541	2.7
193.12711	2.4
195.99915	2.8
209.11703	4.5
211.13379	8.0
223.13429	3.6
229.14389	41.4
241.14471	9.0
247.13669	2.8
373.18677	100.0
374.19086	7.0
378.49097	2.5
391.19754	63.2
392.20108	5.9
422.10593	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	465.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56680	0.6
57.03330	1.4
59.01250	8.6
69.57726	4.6
71.01259	5.2
71.10394	0.7
72.99162	1.1
73.02829	1.2
74.02333	1.1
75.00744	0.9
76.47746	0.6
78.95776	3.6
85.02820	2.4
88.85483	0.6
89.02324	4.3
93.03346	2.0
98.87921	0.6
101.02328	4.4
106.04121	1.3
106.56807	0.7
107.04910	10.2
108.02124	0.6
113.02323	2.2
119.03377	1.1
119.04884	1.3
121.02837	2.2
123.04399	0.8
125.09629	1.3
127.11166	2.8
127.34492	0.7
132.05692	2.5
133.06448	1.1
134.03622	7.3
135.04422	39.6
136.04762	1.5
143.03381	0.8
143.04893	3.6
145.06470	7.3
147.04451	2.9
150.56071	0.6
151.03905	0.7
152.99507	2.6
159.03021	0.8
161.04509	1.3
161.05989	1.4
165.05484	13.8
167.14362	0.6
171.10159	2.5
183.13805	0.8
203.38028	0.6
206.27686	0.6
209.11774	2.5
211.13348	3.7
229.14420	100.0
230.14809	6.2
237.09123	0.8
251.10690	0.8
253.09264	14.4
267.10269	0.9
269.08972	0.8
269.11749	4.3
285.11288	2.2
285.20596	0.9
345.15765	1.9
357.14844	3.0
369.15070	1.2
387.16040	20.6
388.16336	2.4
399.15607	1.2
417.17239	3.0
429.16275	0.9
435.18011	4.3
447.17398	0.7
465.27390	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	465.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.1
58.65091	0.6
59.01253	7.4
62.58408	0.6
67.60517	0.6
69.43421	0.5
70.88577	1.6
71.01257	7.4
72.99181	1.4
73.02850	0.9
73.11555	0.5
78.95779	1.4
83.01266	0.7
85.02822	2.2
87.00748	1.4
89.02334	6.7
89.15811	0.6
95.01297	0.6
98.25735	0.6
101.02328	4.8
113.02329	3.8
117.82188	0.5
119.03401	1.3
121.02920	0.5
123.48024	0.6
125.09624	1.4
127.11174	2.7
130.08595	0.6
143.03372	0.7
155.14244	0.7
161.04454	2.5
167.14314	1.0
171.10162	2.4
179.05544	1.4
183.13799	1.7
185.11749	2.8
193.12225	0.5
201.11258	1.4
209.11754	2.2
211.13350	7.1
215.12877	0.8
223.13248	0.6
229.14417	100.0
230.14757	4.4
253.09258	22.7
254.09639	0.6
277.12247	0.7
304.23724	0.6
373.18735	2.3
391.19565	1.6
447.22440	0.8
465.19446	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	465.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.5
57.03315	0.9
59.01250	5.2
59.34731	0.2
64.46262	0.2
69.39153	1.4
70.50047	0.2
71.00883	0.3
71.01258	3.2
72.99185	0.5
73.02827	0.6
81.03332	0.9
83.01259	0.8
83.04900	3.4
84.05252	0.2
85.02824	2.8
86.27271	0.2
87.00754	0.6
89.02309	3.5
95.01250	0.3
98.02355	1.8
98.19824	0.4
101.02318	4.5
111.00735	1.1
113.02316	2.2
119.03394	1.2
125.09603	1.3
126.05412	0.2
127.11179	2.4
131.03394	0.2
143.03313	0.3
143.10651	0.2
155.14323	0.8
161.04457	1.9
165.12779	0.4
167.14313	1.4
171.10184	2.2
173.00896	0.2
179.04039	0.2
179.05493	1.0
183.13814	0.8
185.11746	2.7
191.01877	0.7
193.12250	0.2
209.03026	0.7
209.11734	2.0
211.13341	6.7
212.13629	0.3
224.17593	0.8
225.16035	1.0
227.12927	0.2
229.14401	100.0
230.14729	6.3
239.98940	0.2
253.09258	23.7
254.09598	0.7
302.03647	0.3
306.22278	0.2
333.22879	0.5
351.24124	0.3
352.22238	0.5
369.24854	0.4
373.18677	0.3
384.22324	0.3
420.28638	0.3
447.29672	2.3
465.09409	0.4
465.20135	2.2
465.30762	10.4
466.31125	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42207	0.4
53.96927	0.4
70.08804	2.0
71.01250	0.5
78.95779	57.9
79.95605	0.8
96.95897	8.9
96.96832	6.4
113.02328	0.5
129.24593	0.4
150.97906	2.0
152.99495	100.0
153.99818	1.3
171.00549	3.4
174.01614	0.8
211.35410	0.4
271.67984	0.4
303.54846	0.4
311.22308	0.5
360.95853	0.4
405.71057	0.5
465.15283	0.9
465.22400	18.7
466.22668	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	465.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.5
57.03313	0.6
57.54553	0.3
58.94025	0.3
59.01251	3.3
60.24662	0.4
69.55499	0.7
69.55894	2.7
71.01250	8.8
72.99178	0.8
73.02818	2.2
75.00755	2.2
78.95770	3.6
79.95615	0.5
83.01267	1.0
85.02813	4.1
87.00763	0.9
89.02349	0.6
93.03329	4.9
94.54906	0.4
95.01266	1.1
96.95888	0.7
96.96859	0.5
99.00764	1.5
101.02333	5.0
108.02021	0.6
113.02329	4.7
114.45385	0.3
117.21698	0.4
121.02843	41.4
122.03629	100.0
123.03911	3.3
133.04953	5.6
133.05875	0.6
135.04408	1.8
136.01569	0.8
136.05164	0.5
137.02335	0.6
143.03395	0.5
143.09447	0.3
152.99483	4.5
154.02641	5.5
159.02905	1.2
161.04472	3.7
167.03323	0.9
176.04744	0.4
189.90822	0.4
211.13519	0.4
218.09772	0.3
258.16248	2.6
259.16922	3.4
260.17163	0.4
284.08835	0.6
301.18365	0.4
465.22092	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81990	0.3
59.01250	0.9
59.57437	0.2
69.22130	0.2
69.56107	0.6
69.56509	1.7
71.01258	4.6
72.96327	0.3
73.02819	1.4
78.95782	1.2
83.01256	0.7
85.02815	1.7
89.02323	0.5
96.95920	0.4
98.20511	0.6
99.00753	0.6
101.02319	3.2
107.04916	2.7
108.77644	0.3
109.02824	0.5
113.02350	3.1
122.03612	1.3
131.08556	1.3
133.04977	0.4
135.04414	53.2
136.05276	4.4
137.02367	0.3
137.05945	0.6
145.02844	0.3
147.04442	0.8
148.05202	0.8
149.05963	0.8
152.99492	1.0
154.02597	0.3
157.06499	0.5
159.02930	0.8
159.04428	2.2
160.05211	2.5
161.04472	4.0
164.04706	8.5
165.05130	0.3
171.08118	1.8
173.06015	1.1
174.06781	21.4
175.07558	5.5
176.04700	0.5
176.08272	0.7
181.12263	0.3
187.07487	0.4
188.08372	1.0
189.09142	4.5
190.09711	0.3
197.83774	0.3
202.09903	0.4
207.13849	0.3
243.13795	0.4
244.14626	1.4
251.66444	0.3
257.15497	0.7
258.16229	100.0
259.16931	40.0
260.17328	3.4
271.17267	0.5
273.15076	2.0
282.96680	0.3
283.17047	0.3
284.08984	4.9
284.12009	0.3
285.09366	0.6
286.15845	0.5
291.16135	1.5
301.18115	5.5
302.18414	0.6
313.18106	1.2
347.45694	0.3
421.22318	11.6
422.22601	1.7
465.21335	4.9
466.21567	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63823	0.6
52.33506	0.8
59.01245	2.2
66.28178	0.8
66.93084	0.7
70.40648	0.7
77.37107	0.7
78.95778	20.0
97.22364	0.7
98.19771	1.4
121.99973	1.4
138.42241	0.7
140.01111	4.0
152.99469	3.9
166.86092	0.7
173.79517	0.7
180.70868	0.7
186.46581	0.7
196.03720	10.0
214.04811	2.3
267.23291	100.0
268.23627	7.7
296.67041	0.7
375.15582	0.7
464.27777	20.0
465.28171	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	464.2438
Annotation	Zygosporin D
Peak:m/z	Relative Intensity
59.01242	1.1
61.98676	0.8
68.02402	1.7
71.01264	0.9
71.37715	0.6
78.95781	1.5
80.57142	0.3
85.02839	0.6
93.03336	30.5
94.03648	0.8
95.01331	0.4
106.04122	0.8
107.04874	0.8
114.48279	0.3
118.23747	0.3
119.04906	0.8
126.99454	0.7
127.07523	0.5
132.37366	0.4
152.99481	1.5
157.15567	0.3
174.12842	0.4
176.14391	0.6
183.26445	0.3
188.14401	0.5
196.07565	0.4
197.08380	1.3
202.12256	0.7
208.13339	1.6
209.11897	0.4
210.09193	1.1
212.10847	0.4
220.13345	4.3
222.15031	1.0
234.14861	0.6
266.15335	0.4
280.17068	1.3
282.18610	1.0
294.18393	0.4
296.20056	1.4
306.15167	0.6
307.15637	0.5
308.16605	4.9
310.18182	1.4
312.15942	0.5
314.17603	1.3
322.18097	3.7
326.17584	5.9
327.18314	0.7
328.19223	0.8
334.18011	0.7
340.19144	9.2
341.19470	0.7
352.19171	0.9
354.09775	0.4
358.20139	1.7
370.20102	2.7
376.22937	0.8
390.24289	1.4
402.25085	0.4
416.22324	9.3
417.22684	1.3
421.92719	0.4
428.22290	4.9
429.22525	0.7
434.23343	0.7
446.23318	4.2
447.23712	0.8
452.66553	0.4
464.24396	100.0
465.24783	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	464.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99469	0.3
55.01743	0.7
57.03328	1.7
59.01248	5.1
61.98695	0.6
69.03311	0.5
70.01456	1.6
71.01251	14.5
72.99159	0.6
73.02814	2.5
73.69762	0.3
75.00731	0.6
77.61879	0.3
78.95771	6.3
83.01250	1.4
85.02822	11.0
87.00744	0.8
87.26587	0.3
89.02316	3.3
93.03331	19.2
95.01262	3.2
95.04836	0.4
96.96839	1.4
97.02827	0.5
99.00763	0.9
101.02323	3.6
106.04114	0.9
108.02080	0.4
109.06418	0.4
112.01560	0.5
113.02325	17.0
119.03368	1.2
119.04928	1.7
126.99490	0.3
127.07518	1.0
133.04933	2.1
152.99501	4.0
161.04434	0.9
161.47633	0.3
164.14362	0.3
174.01570	0.4
174.12851	0.4
176.14345	0.7
183.06699	0.3
184.07547	0.7
189.33609	0.3
190.12450	0.4
196.07693	0.4
198.09154	0.6
202.12343	0.6
204.13940	0.3
208.13361	0.9
210.09091	0.7
210.12253	0.3
212.10693	1.1
213.11041	0.4
217.69234	0.3
220.13426	2.9
222.14922	0.5
234.15002	0.7
276.10129	0.4
280.17023	0.4
282.18597	0.9
283.08557	0.5
284.20340	0.7
287.09579	0.6
290.11810	1.9
296.20227	1.6
302.11914	0.8
304.13467	0.4
305.14426	0.3
308.16559	1.7
310.18088	0.6
314.17612	0.5
322.18085	2.7
326.17606	2.0
328.19223	0.7
334.18164	0.4
340.19162	3.1
345.13770	6.5
351.14484	0.4
352.19128	0.8
370.20132	1.0
374.20996	0.7
376.22763	0.7
390.24307	1.6
400.23117	0.4
402.24570	0.8
405.15945	0.9
416.22318	10.3
417.22684	1.7
428.22253	9.9
429.22552	1.7
434.23334	1.1
446.23322	6.3
447.23590	0.9
464.24399	100.0
465.24353	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	464.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98331	1.9
58.52610	1.5
59.01256	29.9
60.01584	4.6
61.01670	4.8
61.41700	1.5
61.98704	100.0
66.32168	1.5
66.80000	1.5
71.57421	1.5
72.99182	7.9
75.00754	4.7
85.02814	3.8
107.73072	1.6
111.00746	1.8
125.02345	3.6
133.04961	74.3
133.37199	1.7
134.05310	33.9
135.05408	26.0
136.05717	8.8
153.54535	1.6
479.89508	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	464.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07249	1.7
59.01249	40.8
60.01577	5.0
61.01660	7.3
61.73547	1.9
61.98700	92.5
71.30996	4.0
72.99174	10.9
73.29784	1.6
75.00745	8.3
76.62669	1.8
111.50833	1.9
125.02328	7.8
133.04955	100.0
134.05301	44.7
135.05396	40.7
136.05762	10.9
187.02385	7.2
253.21268	2.1
455.93759	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	464.159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81004	0.2
55.43892	0.2
58.35028	0.2
59.01250	5.9
59.10312	0.2
62.60560	0.2
64.00523	0.3
65.99722	2.4
68.02393	0.3
93.00816	0.3
98.02352	1.3
98.20548	0.4
101.05961	100.0
102.06299	2.2
108.01911	4.2
108.86230	0.2
109.24133	0.2
116.92820	0.3
123.01863	0.7
125.07085	0.2
126.99457	10.1
127.99766	0.5
128.94307	0.2
150.02989	0.9
153.06602	2.6
167.80577	0.2
175.99007	0.9
178.00589	0.3
192.07713	0.3
208.01666	3.5
209.01936	0.3
224.10358	4.3
234.08847	0.6
235.02774	1.7
240.09866	20.1
241.10115	0.9
313.04443	0.2
335.07947	0.6
372.37466	0.2
464.15817	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	2.4
58.90689	2.5
59.01253	40.6
71.01247	28.9
71.21289	3.4
72.99183	7.9
73.02827	9.9
73.03938	3.3
74.02330	3.5
75.00742	38.1
81.52472	2.4
83.01281	5.9
83.04871	2.2
85.02827	32.5
88.04646	2.1
89.02325	10.4
93.03317	2.8
95.01289	3.4
95.02400	7.0
101.02324	26.2
102.36954	2.3
105.52497	2.6
111.00774	18.9
113.02341	9.7
115.05028	3.3
119.03419	4.6
129.01881	4.1
137.02335	8.5
143.03445	2.8
147.12935	2.5
156.96878	31.1
161.04463	14.1
164.14395	4.2
173.00821	5.8
185.11731	4.3
191.01886	12.1
199.13332	9.0
208.13469	2.7
209.11826	17.7
227.12787	13.6
253.09264	7.7
258.06613	10.4
259.07156	5.4
265.18088	3.2
281.06644	8.5
283.19125	4.4
289.07162	3.2
301.14493	3.3
301.19910	3.0
304.20529	4.2
417.24887	42.9
418.25372	5.3
433.20746	12.9
463.13318	4.8
463.26004	100.0
464.26175	13.0
485.10025	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	463.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31697	1.1
59.01251	6.4
69.37704	7.9
69.38129	3.1
78.95782	22.7
83.89800	1.2
96.95901	2.5
96.96866	2.0
97.06436	1.4
110.98419	9.8
113.09573	1.1
116.92773	1.7
152.99490	17.3
167.01056	7.6
171.10130	7.0
177.12833	1.7
185.02124	5.8
195.13824	19.0
214.00093	1.2
217.00252	3.9
244.10336	1.1
271.02603	1.4
277.21719	25.1
278.22305	2.0
293.21103	1.7
294.21603	1.4
295.22791	100.0
296.23071	4.9
300.02719	1.8
301.03601	1.1
423.93832	1.2
463.24930	22.0
464.25095	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	463.2488
Annotation	schweinfurthin G
Peak:m/z	Relative Intensity
59.01231	1.4
61.99669	0.6
62.87330	0.5
79.01719	0.7
95.51897	0.6
98.19777	2.0
101.02282	0.6
105.11922	0.6
107.04874	0.8
108.64230	0.6
119.04910	0.9
121.02813	1.0
123.04403	1.0
145.02849	10.8
147.04427	0.8
149.02301	1.9
150.03127	3.9
151.00267	0.7
163.00267	0.6
176.91315	0.6
177.01851	10.1
178.02609	3.9
189.01784	1.4
191.03427	1.7
211.07538	1.3
225.05745	0.9
225.09004	0.9
227.07071	6.3
228.07727	2.2
233.09644	0.6
241.05032	3.2
242.05763	2.6
243.06612	0.7
255.06592	64.4
256.07300	20.7
257.07877	1.2
267.06519	4.4
268.07144	0.7
269.08148	9.3
281.08118	1.1
321.11200	0.9
323.12613	0.7
360.42050	0.7
377.17627	1.2
393.17004	2.3
394.17688	2.5
463.24881	100.0
464.25214	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2471
Annotation	schweinfurthin G
Peak:m/z	Relative Intensity
56.41171	0.4
57.03320	0.8
57.45110	0.4
58.49446	0.4
59.01248	3.7
66.30262	0.3
69.00876	0.4
71.21653	0.6
78.95779	24.8
83.04903	0.8
84.89452	0.4
87.24548	0.4
94.98924	0.3
101.49982	0.4
104.97388	0.7
110.98413	18.8
113.09618	3.5
133.60664	0.4
136.99995	0.7
149.00009	1.0
150.12204	0.3
152.99454	0.7
156.07642	0.4
162.06796	0.5
167.01060	18.6
168.01408	0.6
171.10167	1.9
177.12836	0.5
179.14333	1.2
185.02130	5.4
194.98804	2.5
195.13840	20.2
196.14206	1.1
209.11742	0.6
211.13266	1.2
217.00333	0.6
234.09076	0.4
268.67969	0.4
275.20303	0.7
277.21719	16.5
278.22064	1.5
293.21271	0.7
294.21436	0.5
295.22778	100.0
296.23117	10.5
463.11011	1.7
463.24655	47.5
464.11365	0.4
464.24960	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	463.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93433	0.5
57.03307	0.6
58.66831	0.4
59.01236	1.7
70.69327	1.5
73.56844	0.5
74.41681	0.4
78.95315	0.5
78.95775	10.3
95.35608	0.5
109.06654	0.5
110.98429	6.3
112.84895	0.5
113.09591	1.9
152.99480	4.4
158.84549	0.5
167.01057	2.8
171.10153	1.1
179.14334	1.2
181.12260	0.6
185.02127	5.9
195.13849	14.5
196.14227	0.7
200.55251	0.4
277.21729	15.3
278.22153	1.2
294.21350	0.5
295.22791	100.0
296.23132	6.1
463.09265	0.5
463.24747	15.0
464.25113	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75229	1.0
57.03336	3.1
59.01248	17.1
61.98718	1.1
68.11871	1.2
69.03359	1.4
69.88955	2.0
69.89371	4.9
71.01256	18.1
72.99210	5.3
73.02814	2.1
75.00753	16.9
75.01154	2.2
78.95776	5.7
83.01272	1.9
85.02831	23.9
87.00764	5.7
89.02306	5.7
91.03855	1.1
93.03337	3.3
95.01287	5.7
96.95909	2.6
98.20499	1.4
99.00764	8.5
101.02319	2.6
103.00262	3.3
106.04116	2.3
107.04915	19.5
108.02077	3.1
108.05270	1.4
113.02331	27.5
113.03064	1.9
115.00294	3.1
117.01823	2.8
119.04926	2.6
121.02846	13.8
123.04431	1.1
129.01851	2.5
131.04906	3.1
134.03638	8.3
135.04419	72.9
136.04761	3.7
147.08063	2.0
149.05952	1.3
152.99475	6.5
156.78102	1.1
156.98724	1.2
157.01332	1.4
160.05243	7.2
165.05495	24.3
166.05887	1.6
169.09665	1.3
175.02417	4.5
175.07521	2.1
183.13850	15.2
190.57736	1.2
195.13823	12.1
205.07233	1.2
209.11801	1.1
210.06831	1.6
213.14908	60.2
214.15359	3.6
223.07961	1.4
224.13936	1.3
231.05090	1.3
239.07161	5.1
241.08719	3.4
242.15091	2.2
247.48618	1.2
249.06229	4.7
249.14926	1.7
265.08624	1.8
267.07242	7.2
267.10172	2.2
279.10345	2.6
283.09753	3.3
297.11273	7.2
298.11887	1.4
309.72903	1.2
385.14429	3.0
397.14630	1.8
415.15558	18.4
416.16098	2.7
427.25592	11.2
433.16263	1.3
445.21030	2.7
463.21936	100.0
464.22150	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	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.7
59.01249	8.6
61.98698	0.6
69.03340	0.5
70.02220	1.0
70.02637	0.6
71.01247	4.5
73.02799	1.6
75.00729	0.5
78.95777	1.4
80.96406	0.5
83.01267	0.7
85.02802	1.5
87.00764	0.9
89.02314	3.7
93.03342	0.5
93.23546	0.3
95.01304	0.3
96.95915	0.3
97.06513	0.5
97.58224	0.3
99.04406	0.5
99.59183	0.3
101.02326	4.3
111.08042	1.3
113.02335	2.0
119.03380	1.4
121.02839	0.4
122.03629	0.5
125.02353	0.4
133.05003	0.4
134.98645	0.3
135.04402	0.9
143.03386	0.5
152.99472	1.7
161.04428	1.5
165.12756	18.7
166.13101	1.0
172.05219	0.5
173.84431	0.4
179.05478	0.4
183.13820	100.0
184.14149	5.5
201.05510	0.4
209.11803	4.3
210.11978	0.3
211.07509	0.4
227.12825	28.6
228.13174	2.0
235.08246	0.7
242.13184	0.6
253.09261	6.0
256.72131	0.4
271.02530	0.7
283.13400	4.1
284.13803	0.4
300.02682	0.7
301.03430	0.5
301.14340	5.1
319.15344	0.4
322.26944	0.4
327.15936	1.0
345.17053	0.8
375.18042	0.4
377.13809	0.6
419.20688	0.6
445.20871	0.7
463.21796	79.7
464.22177	8.3
464.28363	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.4
57.03310	0.7
57.61682	0.3
58.00463	0.7
59.01249	26.0
67.54031	0.3
69.03326	0.4
70.87004	0.6
71.01251	9.5
72.99179	1.1
73.02818	1.7
75.00746	0.9
78.95798	0.4
79.18828	0.3
80.02540	0.9
80.96352	0.4
81.03316	1.4
83.01260	1.3
83.04408	0.4
83.04900	5.0
84.02026	1.0
85.02816	4.4
86.03111	0.4
87.00748	1.3
89.02318	7.8
93.03307	0.9
95.01248	0.5
95.04917	0.7
96.95889	0.3
97.02794	0.4
99.00734	0.5
99.04427	0.3
101.02325	7.7
109.02795	0.4
111.00748	1.4
113.02331	3.5
113.05902	0.3
118.74890	0.3
119.03374	1.4
122.03610	0.4
125.02360	0.5
125.05958	0.4
125.09618	0.6
129.01871	0.4
131.03400	1.9
133.04961	0.6
135.04393	0.4
135.08051	0.6
137.02342	1.0
143.03392	0.6
149.02477	0.3
149.04465	2.8
151.00293	0.4
151.07503	0.4
161.04468	2.8
163.11197	4.1
165.12714	2.2
179.05481	0.7
181.12274	1.2
191.01984	0.8
191.05548	0.5
191.10692	1.2
199.13313	5.2
200.13774	0.4
209.11769	100.0
210.12109	7.1
227.12834	30.2
228.13226	1.9
235.08098	0.6
243.02921	0.3
253.09274	14.7
254.09641	0.6
254.56987	0.3
255.02986	0.9
262.75235	0.4
263.12921	0.7
271.02475	2.5
276.32736	0.4
281.06583	0.4
300.02731	3.5
301.03552	1.7
301.06509	0.3
301.11874	0.4
312.46692	0.3
331.17685	0.8
343.17572	0.4
361.18643	0.9
383.71405	0.3
432.19165	0.3
463.08139	1.8
463.21735	7.6
464.22470	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75229	1.0
57.03336	3.1
59.01248	17.1
61.98718	1.1
68.11871	1.2
69.03359	1.4
69.88955	2.0
69.89371	4.9
71.01256	18.1
72.99210	5.3
73.02814	2.1
75.00753	16.9
75.01154	2.2
78.95776	5.7
83.01272	1.9
85.02831	23.9
87.00764	5.7
89.02306	5.7
91.03855	1.1
93.03337	3.3
95.01287	5.7
96.95909	2.6
98.20499	1.4
99.00764	8.5
101.02319	2.6
103.00262	3.3
106.04116	2.3
107.04915	19.5
108.02077	3.1
108.05270	1.4
113.02331	27.5
113.03064	1.9
115.00294	3.1
117.01823	2.8
119.04926	2.6
121.02846	13.8
123.04431	1.1
129.01851	2.5
131.04906	3.1
134.03638	8.3
135.04419	72.9
136.04761	3.7
147.08063	2.0
149.05952	1.3
152.99475	6.5
156.78102	1.1
156.98724	1.2
157.01332	1.4
160.05243	7.2
165.05495	24.3
166.05887	1.6
169.09665	1.3
175.02417	4.5
175.07521	2.1
183.13850	15.2
190.57736	1.2
195.13823	12.1
205.07233	1.2
209.11801	1.1
210.06831	1.6
213.14908	60.2
214.15359	3.6
223.07961	1.4
224.13936	1.3
231.05090	1.3
239.07161	5.1
241.08719	3.4
242.15091	2.2
247.48618	1.2
249.06229	4.7
249.14926	1.7
265.08624	1.8
267.07242	7.2
267.10172	2.2
279.10345	2.6
283.09753	3.3
297.11273	7.2
298.11887	1.4
309.72903	1.2
385.14429	3.0
397.14630	1.8
415.15558	18.4
416.16098	2.7
427.25592	11.2
433.16263	1.3
445.21030	2.7
463.21936	100.0
464.22150	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	463.2103
Annotation	Garciniaxanthone E
Peak:m/z	Relative Intensity
58.91835	0.5
59.01244	0.6
61.88513	0.4
61.98708	0.9
65.35924	0.4
71.45393	0.9
78.95779	68.1
91.91185	0.4
96.95885	0.6
96.96838	7.4
106.75771	0.5
121.02850	0.7
130.48039	0.5
133.04953	0.8
150.97932	1.4
152.99504	100.0
153.99826	1.0
157.23578	0.5
171.00565	9.2
175.08403	0.5
329.23615	0.6
463.21118	21.9
464.21478	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97092	0.3
53.20734	0.2
55.01761	0.3
57.03310	0.3
59.01250	4.6
59.12428	0.2
70.25563	0.2
71.01249	3.6
71.44559	0.5
72.99187	0.5
73.02248	0.2
73.02811	0.5
73.23956	0.2
80.02551	0.9
81.03311	0.8
81.85310	0.3
83.01240	0.5
83.04897	4.3
84.02022	1.0
84.25071	0.3
85.02790	1.4
87.00735	0.7
89.02318	3.5
93.03326	0.6
95.01255	0.4
97.06451	0.4
99.00760	0.6
101.02328	4.6
111.00748	0.7
113.02312	1.4
119.03391	1.0
125.05967	0.4
131.03403	0.3
133.05052	0.4
135.08131	0.7
135.09195	0.3
139.00246	0.5
143.03371	0.3
151.00285	0.6
152.01027	0.4
161.04460	1.5
163.00221	0.4
163.11186	3.4
165.12773	2.0
166.99684	0.4
178.99770	0.4
181.12289	0.5
185.11748	0.4
191.10730	0.5
199.03938	0.3
199.13318	2.0
209.11769	100.0
210.12109	6.7
217.85924	0.3
227.03444	1.0
227.12836	20.9
228.13187	2.0
235.08162	0.6
243.03004	1.7
244.03670	0.4
253.09253	13.3
254.09566	0.7
255.02953	4.4
257.04489	1.0
271.02460	5.0
272.03180	1.8
283.02411	1.2
300.02713	7.5
301.03436	4.8
302.04028	0.5
368.70761	0.3
445.20703	0.4
463.08817	13.1
463.21652	1.7
464.09140	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	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56820	0.3
53.91309	0.3
54.07791	0.3
59.01246	4.9
61.59710	0.3
63.70086	0.3
69.89657	0.3
71.01256	2.3
71.13325	0.7
73.02820	0.5
75.00738	2.5
79.05396	0.3
79.26733	0.3
80.02535	0.8
81.03323	1.2
82.00173	0.3
83.01251	0.5
83.04900	3.4
84.02029	0.9
85.02830	1.0
87.00764	0.3
89.02318	2.7
93.03341	0.5
95.04890	0.5
97.06467	0.8
99.77646	0.3
101.02332	2.6
113.02321	1.3
119.03391	0.3
125.05991	0.6
133.22568	0.3
134.65797	0.3
135.08105	0.5
137.02376	0.4
141.05492	0.6
143.03357	0.5
151.00299	0.3
161.04446	1.1
163.11211	3.3
165.12767	1.8
179.05502	0.5
181.12309	0.5
191.10675	0.7
199.13179	0.3
209.11765	100.0
210.12111	7.0
218.68333	0.3
227.12836	19.4
228.13135	1.4
253.09254	14.8
254.09537	0.7
281.06680	1.0
282.07025	0.3
283.11789	1.1
301.03577	1.0
301.11874	0.4
463.18240	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2113
Annotation	Garciniaxanthone E
Peak:m/z	Relative Intensity
59.01254	1.9
61.76529	0.4
71.58110	0.7
78.95777	74.5
80.63733	0.4
96.95902	1.4
96.96830	5.7
111.48929	0.5
111.89314	0.4
124.68481	0.4
139.67876	0.4
150.47974	0.5
150.97955	1.3
152.99492	100.0
153.99832	1.3
171.00552	3.3
174.99113	0.6
175.07115	0.4
209.11671	0.5
209.15376	0.8
217.00240	2.3
271.02460	0.8
277.21701	1.2
295.22620	2.5
300.02744	0.7
344.70383	0.5
391.73184	0.5
427.22360	0.5
463.20865	16.6
464.21207	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2104
Annotation	Garciniaxanthone E
Peak:m/z	Relative Intensity
59.01255	1.1
63.89120	0.3
69.40868	1.4
69.41297	1.0
78.95778	50.8
96.96847	5.8
102.30539	0.3
126.99487	0.4
134.20845	0.3
150.97949	1.9
152.99493	100.0
153.99886	1.1
171.00549	4.4
173.54733	0.3
181.31319	0.3
194.78171	0.2
204.67603	0.3
294.22177	0.3
463.20990	13.1
464.21277	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	463.2105
Annotation	Garciniaxanthone E
Peak:m/z	Relative Intensity
52.00057	0.3
52.39709	0.3
59.01258	1.0
62.96271	0.5
69.04888	0.3
71.13306	0.7
71.13656	0.4
78.95779	59.4
96.95897	1.2
96.96844	7.4
123.35174	0.3
125.22809	0.3
131.04950	0.5
131.05991	0.3
135.04404	0.5
149.05977	0.8
150.97931	2.4
152.31577	0.3
152.99496	100.0
153.99847	1.4
155.52641	0.3
171.00589	4.7
173.84917	0.3
249.41393	0.3
254.54616	0.4
276.38101	0.3
463.21027	15.9
464.21344	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2105
Annotation	Garciniaxanthone E
Peak:m/z	Relative Intensity
59.01265	0.6
61.98694	0.4
67.95069	0.3
71.34711	0.4
78.95779	74.9
96.96845	5.5
114.63299	0.3
135.98660	0.3
150.97983	1.7
152.99500	100.0
153.99843	1.0
171.00568	3.5
217.63249	0.4
309.20840	0.4
463.21057	23.1
464.21469	2.1
482.68860	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	21.2
64.11848	2.6
67.81696	2.5
70.23785	6.5
70.24170	5.5
70.32363	2.7
71.01252	7.0
71.29898	2.6
72.99195	4.0
73.02831	6.0
78.95790	13.9
80.96453	3.1
85.02804	3.9
87.00748	2.7
93.03350	32.5
96.95899	4.1
98.19819	3.6
101.02339	5.8
119.04925	10.3
121.02850	71.7
128.03453	7.4
130.04153	4.3
131.04915	9.1
133.06482	6.8
135.04410	6.1
143.04939	11.5
145.02861	6.4
145.06500	8.7
147.04454	2.7
147.08096	11.3
152.99550	13.3
156.05627	4.5
157.06473	7.2
159.04469	3.1
160.05185	18.1
161.06007	7.8
164.07098	3.7
171.07758	3.4
171.10207	3.8
175.07552	8.7
201.11375	3.1
209.06088	2.6
209.11725	13.2
211.07533	5.3
223.07552	9.7
227.12848	7.4
236.08237	7.0
237.09167	12.7
239.07230	8.5
247.07625	5.9
247.13835	3.8
249.09204	15.4
251.07123	68.9
252.07584	6.2
261.09143	8.4
262.09906	6.3
263.10709	11.0
265.08783	3.2
269.07889	3.1
273.09421	3.5
275.10815	6.6
278.09457	3.6
279.10269	11.9
291.10297	18.3
293.11639	4.5
337.12280	5.0
339.12485	6.4
349.12247	10.5
351.12262	6.6
354.12585	5.7
355.13409	100.0
356.13870	11.8
361.12067	4.3
367.13361	88.2
368.13654	11.1
379.13419	17.7
385.09497	3.7
385.14474	72.6
386.14771	6.3
397.14438	50.5
398.14746	5.8
403.15686	14.3
415.15491	52.1
416.16061	5.2
427.15445	86.2
428.15848	10.3
433.16434	39.8
434.16766	5.3
445.10419	5.0
445.16531	61.0
446.16785	5.2
463.17395	10.0
463.25397	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	463.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	5.7
59.19883	0.9
69.03335	2.9
70.45105	3.3
71.01266	3.5
75.00763	0.9
78.95780	12.3
84.02015	1.2
85.02853	1.8
89.02318	2.6
91.33334	0.9
93.03342	5.6
96.95903	6.4
96.96841	1.8
101.02320	2.2
106.04143	4.0
107.04913	11.7
108.02059	1.8
113.02348	1.4
117.03378	3.1
119.04930	2.7
121.02857	28.5
123.04397	3.3
130.04161	1.3
131.04933	5.5
133.02823	1.2
134.03648	31.3
135.04420	34.8
136.04791	1.4
138.03078	0.9
138.99994	0.8
143.04985	1.1
145.06494	4.9
147.04424	2.6
147.08087	7.3
149.02357	1.1
149.06013	2.4
152.99501	15.8
156.05655	2.0
157.06502	3.5
159.04449	5.8
160.05220	30.6
161.05836	2.9
165.05502	8.2
165.12767	3.7
175.07597	6.4
183.13840	20.8
209.05954	1.1
209.11771	1.2
210.06778	5.6
211.07573	5.4
213.14905	2.1
225.09109	2.2
227.12715	4.3
239.07126	22.3
240.07535	1.9
249.09152	1.1
251.10840	1.0
253.09247	1.4
265.08740	2.8
267.10321	5.3
279.10272	7.1
283.09833	2.4
297.11288	3.3
300.65936	1.0
313.11044	1.4
355.13519	1.7
367.13626	1.8
371.12787	1.3
385.14572	10.0
397.14496	9.2
415.15540	100.0
416.15869	10.4
433.16141	1.3
445.16525	1.0
463.21875	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	463.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	4.4
59.58829	0.8
69.03324	2.3
69.69805	0.8
70.44785	2.6
71.01250	3.5
75.00747	2.4
78.95789	7.0
82.00380	0.7
85.02834	2.5
87.00775	1.0
89.02326	0.9
93.03354	7.7
93.68824	0.9
95.01328	0.8
96.95889	3.1
96.96826	1.0
98.19832	0.9
101.02345	0.9
106.04134	3.0
107.04920	9.4
108.02057	1.1
113.02319	4.5
113.03033	0.8
115.44498	0.8
117.03398	1.8
119.04907	3.0
121.01958	1.1
121.02846	22.8
123.04406	2.1
130.04118	1.6
131.04962	3.8
133.02875	0.8
134.02646	1.6
134.03642	26.7
135.04431	36.2
145.06506	4.7
147.04391	1.7
147.08075	5.5
149.05965	1.5
152.99504	9.6
156.05685	2.0
157.06522	4.6
159.03188	0.8
159.04424	4.0
160.03870	1.5
160.05219	30.8
161.05849	2.4
165.05479	9.9
165.12790	2.6
175.07559	7.0
183.13841	15.3
195.13858	1.4
209.06120	1.3
209.11739	1.9
210.06822	4.4
211.07545	5.5
213.14914	9.6
225.09204	0.8
227.12819	6.4
236.08351	1.2
239.07092	20.0
251.10756	1.9
253.09117	2.0
265.08691	2.6
267.07391	1.6
267.10239	5.0
279.10297	7.7
283.09698	4.8
290.45966	0.8
291.10291	1.2
297.11365	3.5
367.13364	1.0
371.12714	1.0
385.14368	6.5
397.14505	9.0
401.13696	0.9
403.15488	1.1
415.15503	100.0
416.15921	11.1
427.15417	1.2
433.16312	1.3
445.16595	1.7
452.18921	0.9
463.22150	22.4
464.22067	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92331	1.3
53.23112	1.3
59.01257	7.7
68.29983	1.3
69.52151	1.5
69.73218	9.5
71.01267	4.5
78.95780	7.7
79.95609	4.2
83.80969	1.3
85.02817	3.1
87.00750	1.5
89.02319	2.3
93.03334	10.2
96.95903	3.8
98.20709	1.7
99.00791	1.8
101.02296	2.0
106.04124	2.8
107.04908	17.5
110.88774	1.9
119.04910	5.4
121.02865	10.4
123.04414	2.7
128.03435	2.1
130.04143	2.7
131.04904	6.1
134.03639	35.1
135.04416	55.8
143.04871	3.0
145.06487	5.1
149.06039	1.8
152.99495	6.1
157.06572	1.8
162.06644	2.0
165.05452	13.5
171.10149	2.1
194.05672	2.0
197.11821	1.8
210.06743	2.1
211.07590	5.5
223.07596	2.1
232.08766	1.6
233.09651	5.8
236.08322	2.3
237.09116	4.5
247.07700	2.4
248.08395	2.3
249.09200	7.5
251.07080	10.6
251.10748	1.6
253.08694	3.5
261.09216	2.3
263.06842	2.3
263.10696	3.5
267.10202	9.3
274.09979	1.6
279.10297	8.8
283.09784	5.3
291.10233	2.4
293.11783	1.5
327.69986	1.7
337.12109	2.2
339.14218	2.3
355.13412	12.8
356.13727	2.4
366.46866	1.7
367.13367	40.4
368.13641	6.4
369.14880	5.3
377.09799	1.7
379.13406	3.1
385.14426	30.0
386.14545	2.7
397.14481	20.7
398.14832	2.0
415.15509	100.0
416.15845	9.0
427.15424	9.2
463.16934	10.5
463.25861	14.0
464.17838	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	55.6
59.01255	67.7
69.42155	8.4
69.42562	22.4
71.01259	54.1
72.99191	7.1
73.02825	18.0
74.02335	5.5
75.00748	4.7
75.41801	3.0
77.87933	3.5
78.95789	12.9
83.01274	14.4
85.02831	18.2
87.00787	4.6
89.02322	43.8
93.03340	14.9
93.42805	3.1
95.01284	3.7
95.04948	4.1
97.06484	3.3
98.19770	3.9
99.00712	3.2
99.04396	35.7
101.02334	48.9
111.04389	3.9
113.02328	18.3
119.03404	9.6
119.04922	4.9
121.02843	55.0
123.04411	17.2
125.02349	17.7
131.03452	6.6
131.04919	4.8
135.04396	5.3
139.03864	6.4
143.03426	6.0
143.04749	5.2
149.04451	11.3
152.99490	8.2
161.04494	27.5
186.31363	3.4
195.65576	3.4
196.62160	4.0
201.05258	3.9
209.11789	16.3
211.07684	8.9
224.08282	5.7
227.12888	4.6
231.08177	3.9
233.06125	4.5
237.09181	7.1
241.08649	6.4
247.07748	3.7
251.07216	8.9
261.09433	3.3
263.07416	5.3
275.10770	10.0
293.11902	10.5
331.17810	4.2
349.12326	13.0
355.13467	22.1
361.12140	4.7
366.12390	4.0
367.13388	59.6
368.13654	4.4
379.13309	8.8
385.14392	10.6
397.14487	18.7
403.15607	5.3
404.14819	14.3
415.15723	19.2
427.15857	15.9
433.16656	52.9
434.16888	5.2
445.16574	100.0
446.16861	13.8
463.16885	25.7
463.22543	9.3
464.17349	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	463.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	3.1
61.98730	1.4
67.43690	1.1
71.57394	1.0
72.39752	1.0
78.95311	2.2
78.95773	36.9
96.95917	1.5
110.98402	4.1
119.04932	2.2
144.68109	1.1
147.25308	1.2
149.00005	34.4
152.99500	15.7
171.10175	10.9
183.13817	1.3
185.02136	3.3
194.98792	100.0
195.13789	1.9
195.99091	2.6
217.00276	3.4
229.14383	1.4
232.29579	1.1
271.02518	2.5
277.21716	16.5
293.21152	1.8
294.21527	1.9
295.22772	58.2
300.02768	3.8
463.11212	67.7
463.25183	9.3
464.11331	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	463.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04407	2.3
57.03322	100.0
58.00475	3.0
58.03659	2.8
59.01251	96.4
61.70829	2.4
69.47649	19.3
71.01254	52.2
71.25288	2.2
72.99165	4.3
73.02819	33.1
79.05426	3.2
81.03347	3.2
83.01256	15.3
83.04881	3.4
85.02831	13.9
87.00759	5.8
89.02315	37.6
93.03333	10.6
95.01263	3.2
97.02828	3.1
97.06443	4.7
98.19824	5.7
99.04392	52.6
101.02321	63.6
108.02039	4.5
109.02839	3.8
111.00726	2.5
111.04404	5.5
113.02322	21.9
115.76353	2.8
118.65800	2.3
119.03372	12.3
121.01955	4.2
121.02843	73.5
123.04395	25.3
125.02326	25.9
131.03387	5.2
137.02257	2.6
139.03900	8.6
141.05490	4.3
143.03401	6.2
151.00336	3.8
161.04482	43.9
179.05516	11.4
191.01793	3.3
199.13335	4.9
209.11758	45.8
210.12094	5.0
227.12837	16.0
232.20573	2.7
233.06709	2.9
243.02814	3.2
253.09273	6.0
255.02989	6.6
263.07846	4.7
263.12885	3.3
271.02512	13.5
285.09854	3.8
300.02762	18.4
301.03430	11.5
319.10297	3.4
323.09705	5.6
442.68051	2.9
463.08777	10.6
463.14594	4.4
463.21716	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	463.0882
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.20799	0.4
59.01241	0.4
60.33805	0.4
63.02252	0.4
65.00188	0.9
70.28923	0.4
71.34792	0.4
83.01259	1.1
104.48593	0.3
107.01284	2.1
108.02057	1.4
109.02833	1.8
119.01234	0.5
121.02837	1.4
127.56319	0.5
135.00798	1.1
148.01573	1.7
151.00284	9.7
163.00273	2.1
164.01054	0.5
169.01321	0.8
178.99785	5.4
187.03864	0.5
192.00523	0.6
199.03903	0.9
209.11807	1.1
211.03952	0.9
220.33569	0.4
226.02713	2.1
227.03426	2.9
227.12782	0.9
239.03699	0.4
243.02950	9.7
244.03270	1.1
245.04494	0.7
254.02150	1.8
255.02963	21.4
256.03220	1.1
271.02469	51.5
272.02878	5.1
273.03989	0.9
283.02390	0.9
299.02084	1.6
300.02731	92.2
301.03476	61.8
302.03915	4.9
343.04492	0.7
463.08810	100.0
464.09177	12.3
464.15829	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61525	0.4
53.91382	0.5
59.01241	0.9
63.96325	0.4
78.95779	26.1
96.96865	0.7
98.19716	0.8
99.91264	0.5
107.49570	0.5
110.98425	0.5
112.61740	0.5
140.01076	5.5
149.82405	0.5
152.99498	10.8
165.78839	0.5
171.10204	1.0
196.03751	10.6
214.04846	2.6
218.83408	0.5
226.42760	0.5
265.21729	100.0
266.22049	5.6
268.93610	0.5
277.21674	1.6
279.23370	0.9
295.22766	4.2
393.43994	0.5
462.26291	20.5
463.25906	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	462.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	0.3
68.31265	0.3
69.47495	2.1
78.95779	12.1
96.96844	0.9
98.19798	0.5
99.97250	0.3
101.56956	0.3
106.78732	0.3
110.98448	0.4
115.21230	0.3
140.01051	1.7
149.00000	4.0
152.99496	4.1
167.74208	0.3
171.00575	1.2
171.10201	0.7
185.02188	0.4
194.98796	15.5
195.13821	0.4
196.03757	0.5
214.04849	2.5
217.78117	0.3
247.20702	0.5
265.21719	100.0
266.22061	6.4
277.21722	1.1
293.21320	0.5
294.21588	1.5
295.22775	5.3
300.02890	0.3
301.75580	0.3
347.16388	0.3
462.26251	8.3
463.11176	9.3
463.25961	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99103	1.6
53.16021	1.3
59.01241	7.6
66.99523	1.3
71.56989	2.2
74.02357	1.6
77.40129	1.3
85.82817	1.4
87.06977	1.4
92.59248	1.6
101.05959	56.7
126.99460	51.5
127.99766	1.7
133.04956	15.8
134.05295	5.1
137.08281	2.3
141.31148	1.4
165.07809	2.7
190.55899	1.4
197.07930	2.1
203.08044	1.5
219.02647	1.4
250.15576	100.0
251.15924	6.8
271.02539	1.7
294.25214	1.9
324.11551	1.7
356.82452	1.4
463.29822	1.5
476.26266	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.228
Annotation	cytochalasin Z16
Peak:m/z	Relative Intensity
53.11718	0.5
59.01250	4.8
59.75308	0.5
64.45364	0.5
69.44260	0.6
70.25106	0.6
78.95777	5.2
93.03333	100.0
94.03661	1.8
96.95901	2.9
101.02433	0.5
101.05952	0.7
109.06460	0.9
110.98425	2.3
126.99477	0.7
133.04977	5.8
134.05302	1.3
152.99481	0.9
162.12747	1.3
164.14349	7.6
167.01064	1.7
171.10201	4.3
176.14362	2.3
181.23235	0.6
185.02153	2.3
186.52829	0.7
190.12277	7.4
195.13829	1.7
202.12294	1.1
208.13359	31.0
209.11696	1.7
209.13649	1.4
217.00282	0.8
220.13409	6.7
223.32835	0.7
226.11623	0.7
256.70444	0.7
270.18671	1.1
277.21707	8.3
293.21075	2.8
294.21579	10.0
295.22757	22.7
296.16370	3.5
314.17603	12.3
400.23117	0.8
418.23840	31.6
419.24271	4.2
444.21841	1.7
462.22879	52.6
463.23450	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	462.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26787	9.2
59.01250	63.8
61.54219	8.0
67.66623	9.0
68.02411	57.1
71.57250	12.0
75.00752	9.7
78.57690	8.1
78.95781	10.2
88.43787	8.2
98.91664	8.1
113.20332	9.0
126.99400	12.6
133.04958	100.0
134.05319	17.6
217.00223	12.8
220.86072	9.4
225.11420	8.4
351.95929	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	462.1918
Annotation	4-hydroxy Nonenal Glutathione
Peak:m/z	Relative Intensity
54.34681	1.2
58.02855	10.6
59.01245	6.5
70.02850	1.8
70.54417	1.3
71.01244	4.9
71.57117	2.1
72.00800	1.7
74.02353	18.3
78.95781	5.1
82.02871	2.3
86.02353	8.6
86.05983	1.8
87.05518	4.2
89.02325	4.2
90.00086	1.6
93.03370	1.4
97.03967	2.5
99.05527	14.3
99.99789	1.9
100.97083	1.5
101.02311	1.7
101.07088	3.2
102.05450	2.4
107.06075	1.8
109.03934	3.3
112.03912	2.0
121.02886	1.9
123.05505	1.8
123.25292	1.6
124.03970	1.7
127.05041	3.0
127.35413	1.6
128.03432	39.8
135.05525	5.0
141.06572	4.1
143.04527	51.9
143.08881	1.9
144.04898	2.1
145.06198	2.5
146.04465	5.5
152.99484	2.8
153.06604	5.9
160.00650	16.6
166.09805	2.0
167.04428	3.8
167.08282	1.7
171.08231	1.5
177.03336	4.1
179.04491	11.1
181.06020	1.9
185.05579	2.3
197.05630	2.2
209.11752	2.3
210.08797	10.7
242.07678	1.8
243.02870	1.5
245.85950	1.7
254.07809	17.7
255.02980	4.0
271.02509	8.3
272.08875	25.7
272.11633	2.4
288.06601	9.8
299.01706	1.8
300.02673	11.3
301.03589	6.5
306.07663	100.0
307.07916	5.5
309.18863	1.7
462.18942	2.7
463.08691	11.5
463.16956	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	461.2906
Annotation	Verbacine
Peak:m/z	Relative Intensity
55.07006	0.3
57.03308	0.4
59.01251	3.1
68.02389	1.7
70.33012	0.9
71.04897	0.4
71.06567	0.3
72.99175	0.5
75.00738	0.5
79.01768	0.3
101.05981	0.4
109.06465	0.4
116.40719	0.3
123.04420	1.4
125.05978	4.1
125.09556	0.5
131.52484	0.3
133.04004	0.6
133.04955	8.8
134.05273	0.3
137.09673	0.4
151.03912	6.5
152.04256	0.3
166.02631	0.5
173.09692	0.3
177.01828	1.2
178.02365	0.3
179.03366	1.5
180.04179	2.0
191.10727	0.4
207.10196	2.6
217.08618	2.7
221.08109	5.6
222.08853	2.6
223.09639	1.7
225.11276	0.6
235.09702	100.0
236.10269	11.0
237.10837	0.6
241.61942	0.3
249.11282	2.1
249.18539	0.6
279.23303	0.7
293.24966	0.9
301.21674	0.6
301.40948	0.3
307.09476	0.3
315.16043	0.4
333.17029	7.0
334.17511	1.1
335.15131	0.4
335.18698	1.2
375.21661	0.7
377.19757	0.3
391.21091	0.7
392.22018	3.3
393.22705	0.4
417.30270	0.3
461.29053	92.5
462.29388	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	461.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53970	0.3
55.01748	0.9
57.03321	1.0
58.00477	0.6
59.01250	31.2
60.01593	0.4
61.73138	0.3
64.01483	0.3
68.02418	0.3
68.99656	0.3
69.03317	1.2
71.01254	15.3
71.04896	1.0
71.57652	0.4
72.99165	2.0
73.02815	3.7
75.00733	0.7
75.06633	0.3
78.95777	0.7
79.95614	0.4
83.01263	2.6
85.02818	5.7
85.99969	0.7
87.00753	4.4
89.02330	1.4
93.03317	0.3
95.01276	0.9
96.95895	16.0
97.02839	1.3
99.00730	1.4
101.02322	6.3
109.06466	1.7
111.00751	0.7
112.01533	0.5
113.02340	2.8
124.01559	1.0
125.02335	1.3
129.01791	0.3
133.04961	4.9
135.08118	0.4
142.02596	0.4
143.03394	0.5
152.99484	0.7
163.11111	0.9
207.10213	4.7
208.10492	0.4
211.20609	1.2
225.11282	3.9
226.11493	0.5
239.20149	2.4
253.09193	1.0
257.21194	27.6
258.21527	2.0
269.21210	0.7
271.22833	1.2
278.11417	0.3
299.22211	0.8
327.21887	0.5
371.78015	0.3
401.25443	12.1
402.25876	1.5
419.26480	38.8
420.26874	4.8
443.26523	0.4
461.27557	100.0
462.27905	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	461.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.3
68.80054	0.8
78.95784	9.3
124.99994	2.0
144.54681	0.9
152.99492	3.7
181.02567	1.7
199.03712	3.0
205.60719	0.8
229.31270	1.2
279.23294	100.0
280.23642	7.2
293.24899	2.6
451.39081	0.9
461.26736	5.9
461.36679	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	461.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41216	0.3
55.01739	0.4
57.03307	1.2
58.00455	1.0
59.01252	35.7
60.01585	0.7
69.03319	0.9
71.01255	17.1
72.99195	1.9
73.02820	5.3
75.00740	0.8
78.95758	1.2
79.95596	0.7
81.03335	0.4
83.01261	2.6
83.04865	0.5
85.02347	0.4
85.02825	6.1
87.00729	3.5
89.02318	6.3
95.01242	1.2
96.95884	2.0
97.02829	1.1
99.00752	1.7
101.02323	10.6
109.06508	2.3
111.00761	0.6
113.02336	5.1
119.03426	1.7
124.01502	0.7
125.02273	0.6
133.04951	6.3
137.02319	0.4
152.07185	0.3
152.99481	1.2
161.04463	0.6
163.07529	0.5
163.11154	1.3
181.12202	0.4
197.19026	0.9
207.10196	7.1
225.11259	4.9
225.14832	0.7
228.72513	0.4
229.44487	0.4
239.20129	6.6
240.20439	0.6
253.09218	1.0
257.21216	15.6
258.21500	0.8
269.21136	0.6
271.22769	0.9
299.22192	0.4
325.25290	0.5
353.28540	0.4
401.20477	0.7
401.25388	8.0
402.25668	1.1
419.26511	31.5
420.26892	4.4
425.27145	0.4
443.28088	3.6
444.28494	0.8
461.21423	5.2
461.27774	100.0
462.21790	0.5
462.28165	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	461.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70498	0.7
55.19691	0.8
57.03326	2.0
59.01253	8.7
68.02406	1.3
71.01282	0.8
71.13866	1.7
72.99181	0.9
73.02847	0.9
78.95776	38.1
84.87634	0.9
92.30766	0.8
96.95907	1.4
97.06463	1.0
109.06487	2.9
110.97634	1.7
110.98415	25.5
113.09615	6.8
121.10117	2.0
121.33940	0.8
126.99520	1.1
128.99159	1.1
133.04968	11.1
136.99919	0.9
139.11188	1.1
167.01076	27.5
167.10719	1.8
171.10182	4.7
177.12573	1.2
179.10707	1.0
183.13840	11.9
184.14139	1.0
185.02126	8.0
185.11856	1.1
195.13837	5.9
207.10225	4.6
211.13333	3.1
219.58350	0.9
223.13272	4.1
225.11266	2.6
245.49365	1.1
249.22180	1.3
256.13101	1.2
265.21765	0.9
275.20108	11.0
293.21231	100.0
294.21530	11.8
297.15332	2.3
299.02039	0.9
338.50070	0.8
413.62885	0.9
457.22198	0.8
461.23172	40.2
461.32840	3.4
462.23688	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	461.231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79402	0.6
51.22054	0.6
59.01257	1.8
60.72899	0.7
70.68024	1.5
70.68394	1.3
71.01232	0.7
78.95782	12.5
88.41272	0.7
96.95882	2.8
97.06537	0.7
110.98416	7.5
121.10123	1.4
152.99527	6.2
167.01112	3.8
171.10161	2.9
179.14308	0.9
183.13795	3.7
185.02127	6.8
195.13855	9.4
211.13361	0.9
213.57906	0.7
223.13382	5.4
223.16895	0.9
225.14938	0.7
235.17030	3.3
256.13150	1.8
275.20163	15.3
293.21225	100.0
294.21561	7.5
357.04160	0.6
461.23163	17.7
461.29041	0.7
462.23523	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	461.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25443	0.6
53.19411	0.6
59.01218	1.9
69.54790	1.5
69.55194	5.1
71.01215	0.7
78.95777	39.3
93.61581	0.7
96.95847	2.2
96.96828	1.3
104.97321	1.2
110.98412	23.9
113.09540	0.9
121.02849	0.7
121.10091	1.3
137.00021	1.4
152.99480	13.9
153.99815	1.2
167.01064	20.7
171.10143	3.0
179.14270	1.0
185.02153	6.9
193.12228	1.4
195.13829	11.5
196.14345	1.2
200.18413	0.7
207.10056	0.8
211.13402	1.2
223.13373	8.8
228.13564	0.8
231.21136	1.0
232.04080	0.8
237.14893	0.8
256.13184	2.5
259.37723	0.8
275.20129	11.8
277.21744	1.4
279.23203	2.3
293.21213	100.0
294.21564	8.9
392.15988	1.9
461.23169	45.4
462.23428	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	461.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	3.2
59.01244	4.1
71.58035	1.2
74.43097	1.0
78.95781	17.9
92.53116	1.0
96.95906	3.1
103.91220	1.1
110.98388	9.5
111.08078	1.0
113.09621	12.0
121.10118	2.9
139.11163	1.4
141.41994	1.2
144.10362	1.1
152.99484	6.6
167.01047	4.8
167.10788	1.8
171.10179	10.2
172.10413	1.2
173.26797	1.0
183.13786	2.6
185.02138	6.4
190.68999	1.1
195.13850	3.2
223.13312	1.1
235.17007	1.9
249.22191	1.5
263.20209	2.0
264.20502	3.1
268.28949	1.0
275.20123	14.4
291.19977	1.1
293.21222	100.0
294.21503	9.2
415.82010	1.2
461.23245	15.2
462.23361	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	461.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.4
55.37321	0.2
57.03326	1.3
58.00468	0.4
59.01252	10.0
69.03340	0.7
71.01256	7.1
71.04888	0.9
72.01598	0.3
72.99171	1.3
73.02817	2.6
75.00757	0.7
81.03353	0.4
83.01253	1.6
83.04912	0.8
85.02822	5.4
87.00758	1.1
89.02304	3.9
90.31316	0.3
93.03353	0.4
95.01255	0.6
97.02828	6.8
97.05940	0.3
97.06488	1.0
98.58716	0.3
99.00756	10.8
100.01118	0.4
100.73866	0.3
101.02325	5.1
109.06483	2.2
110.03626	1.9
111.00763	0.5
111.04421	0.3
112.01575	0.3
113.02345	2.5
115.03902	0.5
119.03370	1.2
121.02907	0.3
121.06483	0.4
123.04430	0.6
123.08056	0.5
125.02338	0.5
125.09606	3.2
128.03438	0.5
129.01836	0.6
131.07031	0.5
133.04951	4.4
135.08070	1.2
136.05212	1.1
137.02361	0.3
142.02609	2.7
143.03352	0.5
145.04915	0.4
145.10243	0.4
147.02943	0.3
147.84903	0.3
157.05009	0.4
161.04465	1.4
161.09554	0.6
163.11188	7.1
164.11552	0.6
179.05504	0.5
179.10696	0.5
181.12262	16.1
182.12601	1.2
191.01877	1.2
197.02728	0.9
197.11745	0.6
198.03442	0.4
199.13344	2.0
207.10197	47.6
208.10551	2.8
209.02957	1.7
225.11270	100.0
226.11595	6.2
230.02451	0.4
235.08142	2.5
243.12350	12.9
244.12642	0.7
253.09270	7.0
281.12228	0.9
299.15085	0.8
317.16010	1.4
452.08356	0.3
461.20059	39.5
462.20517	4.6
469.70535	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35690	0.5
56.58534	0.5
57.41739	0.6
59.01234	2.4
60.39711	0.6
60.63671	0.5
64.64497	0.6
70.00145	2.2
70.00552	1.4
71.04877	0.6
72.66571	0.6
73.00589	0.5
78.95779	15.3
92.74732	0.6
96.26830	0.6
110.98418	10.2
113.09613	0.7
121.10126	0.9
152.99487	3.0
167.01064	6.9
167.10745	0.8
171.10147	2.2
172.12122	0.6
179.14240	1.0
180.78967	0.6
183.10135	0.8
185.02118	8.3
193.12206	1.7
195.13837	10.1
196.14336	0.8
205.12288	1.3
223.13374	7.9
231.21123	1.2
235.17006	4.7
256.13162	1.6
275.20181	13.8
276.20438	1.4
279.46033	0.8
293.21234	100.0
294.21512	8.8
431.47888	0.7
461.23108	21.1
462.23358	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.2
59.01249	2.1
62.96267	0.4
65.03833	0.3
69.54079	1.8
78.95779	56.6
85.02798	0.3
91.03885	0.5
93.03326	0.4
96.95889	0.8
96.96838	6.7
97.06465	0.3
97.65644	0.3
97.78242	0.3
103.64168	0.2
121.02823	0.6
121.06490	0.4
123.04366	0.4
130.04129	0.3
131.04848	0.3
134.03586	0.3
135.04442	0.4
140.01073	0.3
147.04463	0.4
150.97963	1.6
152.99496	100.0
153.99849	1.9
155.17288	0.3
162.03122	0.5
168.27591	0.2
171.00562	4.6
171.10213	0.3
181.09372	0.3
209.11725	0.3
211.13486	0.4
221.15364	1.9
229.14497	0.4
257.08325	0.2
267.06625	0.5
278.22186	0.4
279.23434	0.3
311.09488	0.4
327.21725	1.6
383.13113	0.3
387.16977	0.3
404.13065	0.3
413.14069	0.7
431.15210	0.9
443.14954	2.0
461.19733	10.9
462.19501	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.2
62.03460	0.3
62.96284	0.3
70.64288	0.6
70.64649	0.8
78.95779	58.0
93.03323	0.3
96.95885	0.9
96.96846	6.6
150.97888	1.5
152.99495	100.0
153.99835	0.7
170.13831	0.3
171.00568	4.8
183.62367	0.3
189.79767	0.3
209.11908	0.3
209.15300	0.4
245.19122	0.3
293.21371	0.4
323.10544	0.4
461.19510	6.9
461.32803	0.4
462.19962	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17812	0.7
59.01254	3.7
62.15052	0.8
66.68259	0.7
69.54021	1.7
69.54420	4.9
71.01256	5.8
72.99187	1.0
73.02810	1.0
78.95756	1.3
83.01268	0.9
85.02822	1.6
89.02319	1.6
98.20519	1.5
101.02280	2.3
107.04903	2.6
108.02077	1.0
113.02339	1.6
121.02842	1.7
123.04420	1.0
125.92185	0.7
128.03401	1.4
131.04955	1.3
134.03638	8.3
143.04971	6.1
145.06506	63.9
146.06819	2.6
147.04434	8.4
161.04466	2.1
161.05876	1.4
163.07562	9.6
207.10196	1.2
225.11288	2.1
237.14890	1.2
240.65779	0.9
269.11823	100.0
270.12207	6.1
299.12646	3.0
306.07413	1.3
307.07819	1.3
344.63690	0.7
358.06171	0.8
436.51898	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.2
57.97446	0.2
58.23100	0.2
59.01257	2.1
59.98601	0.2
61.98673	0.3
62.96283	0.4
65.03844	0.4
69.92268	0.6
69.92708	0.6
71.01241	0.3
71.04897	0.3
77.59884	0.2
78.95780	61.0
79.95624	0.2
85.02804	0.4
91.03883	0.4
93.03331	0.3
96.95879	0.6
96.96844	6.7
97.06447	0.4
98.20493	0.3
119.04889	0.2
121.02817	0.4
121.06483	0.4
123.04317	0.2
124.00907	0.5
130.04131	0.2
131.03580	0.2
135.04408	0.2
149.06012	0.2
150.97957	1.9
152.99496	100.0
153.99879	1.4
157.06410	0.2
162.03113	0.3
171.00572	5.0
171.10149	0.5
185.11870	0.2
196.03725	0.2
209.11763	0.2
211.13283	0.3
221.15417	1.7
229.14430	0.3
267.06610	0.3
277.21722	0.4
278.22101	0.3
279.23355	1.0
280.23615	0.3
327.21741	1.5
328.22076	0.2
431.14731	0.3
443.15088	1.3
461.19565	11.9
462.19662	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72594	1.9
55.01779	2.5
59.01256	29.9
68.04916	1.9
69.78986	9.9
69.79392	4.5
71.01264	23.5
72.99200	2.3
73.02830	7.2
75.00735	2.6
78.95769	2.2
83.01275	7.7
85.02833	8.6
85.99958	1.9
86.59639	2.0
89.02320	7.6
93.03339	3.9
98.20612	2.1
99.00777	2.4
101.02322	11.8
113.02330	7.6
131.04939	4.4
149.05986	6.7
151.07578	8.4
175.07550	4.9
269.11844	57.6
269.14722	3.3
270.12186	5.7
281.11819	47.6
282.12155	3.3
362.87036	2.2
431.17096	100.0
432.17462	9.3
443.17087	77.8
444.17371	7.8
461.16528	2.7
461.23993	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	461.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40996	0.5
59.01252	2.0
59.57575	0.6
61.60073	0.5
65.52843	0.6
70.00124	1.2
70.00540	1.6
71.01264	3.5
73.02843	0.6
83.01231	0.7
85.02830	1.2
87.00748	0.5
88.03899	0.8
89.02321	1.0
89.08688	0.5
93.03327	1.6
97.00780	0.5
98.94143	0.5
101.02334	2.4
102.88226	0.5
106.04135	1.5
107.04909	2.1
108.02041	1.2
113.02332	1.1
119.04900	0.6
121.00298	0.5
121.02839	1.7
123.04443	1.5
131.04907	0.8
132.05685	0.6
134.03633	7.3
143.04938	6.5
144.05710	0.9
145.06500	75.2
146.06808	3.4
147.04431	8.0
152.99500	0.9
153.20592	0.6
161.04478	2.1
161.06013	2.4
162.06776	0.9
163.07579	8.3
199.59535	0.6
233.97855	0.6
255.37907	0.6
263.10745	0.6
269.11826	100.0
270.12158	6.5
281.11795	1.4
299.12900	10.7
300.13293	0.9
347.52420	0.5
461.18842	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95444	7.4
69.52476	5.6
70.74438	12.2
70.74796	14.4
72.99182	18.2
75.00735	14.9
78.95792	16.3
93.44270	7.1
97.88383	7.9
109.44866	7.1
110.04426	7.4
113.94145	6.3
133.76041	6.2
147.06543	100.0
164.49913	6.1
184.24883	7.2
209.42522	6.8
278.51141	6.6
295.76733	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	461.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57844	0.3
57.76429	0.3
59.01253	29.9
60.36303	0.3
63.89391	0.3
69.52165	0.7
69.52575	1.9
72.99185	5.3
75.00743	5.3
79.79047	0.3
133.04971	100.0
134.05315	2.2
192.27667	0.3
284.68979	0.3
430.37616	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01590	1.1
61.17942	0.3
61.98697	0.5
71.01238	1.4
71.58642	0.3
72.70937	0.2
73.02819	0.7
75.00750	0.4
78.95790	0.6
79.95648	0.3
80.96410	0.9
85.02834	1.2
89.02334	0.8
93.03324	2.0
96.95873	1.3
97.02840	0.4
99.00760	0.3
101.02334	0.8
109.06500	0.9
113.02368	0.7
121.02856	0.8
133.04959	3.9
137.02342	3.6
137.03308	0.4
140.51035	0.3
152.01028	0.3
152.99562	0.7
161.04520	0.5
163.11195	0.4
207.10207	3.3
218.71138	0.3
225.11241	2.3
233.11688	0.3
253.09424	1.0
257.21140	0.5
296.16385	0.3
298.05051	0.4
359.15146	0.3
401.09088	0.3
401.25735	0.3
418.17902	0.3
429.20239	0.6
445.89661	0.3
461.21082	1.8
461.28491	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	461.109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02443	0.5
59.01253	7.8
65.00212	0.8
70.09389	2.5
71.01262	2.0
72.71980	0.5
72.82887	0.6
73.02819	1.0
78.95764	0.5
85.02818	1.0
93.03371	1.0
101.02303	0.9
108.15823	0.5
109.99987	1.6
113.02238	0.6
116.88477	0.5
119.03352	0.8
133.04927	1.9
151.00244	1.2
165.01891	1.4
167.95564	0.5
183.04410	2.3
211.03897	3.1
225.11316	0.7
227.03444	14.7
228.04037	2.1
243.06570	1.6
255.02962	59.0
256.03513	7.8
269.04388	0.7
271.06024	1.1
283.02472	92.6
284.03149	28.7
285.03601	2.0
298.04813	60.2
299.05582	100.0
300.05969	7.7
327.21762	0.7
341.06821	0.7
363.51910	0.5
461.10889	43.1
462.11328	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	461.1088
Annotation	Tamarixetin 3-rhamnoside
Peak:m/z	Relative Intensity
55.01767	2.4
57.03323	12.5
59.01250	12.8
64.03568	0.5
68.99689	0.5
71.01265	6.3
71.57760	0.6
72.99173	2.1
73.02827	0.6
73.56147	0.6
75.00755	2.4
83.01255	3.0
84.02026	2.8
85.02823	100.0
86.03149	1.6
87.00764	2.2
89.02331	1.8
94.32718	0.6
101.02325	2.2
103.00239	1.7
103.18555	0.5
111.00771	4.6
113.02366	0.7
119.04936	3.4
129.01822	9.2
133.01309	1.9
133.04948	6.6
147.01767	0.8
147.02905	11.9
161.04544	0.5
163.03856	1.3
173.00822	1.9
191.01895	38.9
192.02280	1.4
197.02676	1.5
200.04620	0.6
207.10233	1.3
209.02972	53.3
210.03398	1.2
225.11240	1.6
253.09352	0.6
281.12234	1.1
283.13651	0.8
285.04044	0.5
299.05606	1.2
355.06625	5.1
461.18057	5.0
461.23871	2.0
461.37302	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.8
59.01250	4.4
64.90459	0.7
78.95781	38.5
98.19809	1.1
110.98428	5.9
113.09608	2.8
121.10104	1.9
138.97865	0.9
140.01111	6.2
152.99490	10.1
167.01112	4.4
171.10199	6.6
183.13832	1.1
185.02147	2.4
185.11751	1.1
195.13914	1.2
196.03735	12.7
203.23274	0.8
214.04803	3.2
224.40170	0.7
263.20166	100.0
264.20523	8.7
266.82791	0.7
275.20169	7.2
293.21228	36.8
293.24509	1.8
348.94470	1.0
442.23376	1.0
460.24734	21.2
460.31161	2.0
461.23212	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	460.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	0.6
59.01262	2.5
59.01513	0.4
66.51111	0.4
71.57579	0.9
78.95782	22.7
92.53658	0.4
96.95900	0.9
96.96831	1.5
105.81915	0.5
110.98415	2.1
113.09621	2.3
121.10081	0.9
129.05342	0.6
139.11276	0.7
140.01096	3.0
152.99506	9.1
153.99797	0.7
167.01094	1.5
171.00575	2.0
171.10181	2.9
183.13849	0.6
185.02158	1.7
196.03702	1.4
214.04793	3.8
231.21167	0.7
235.17072	0.6
263.20166	100.0
264.20532	7.4
275.20166	4.5
277.21738	2.1
278.22107	1.2
293.21255	25.3
297.77820	0.5
427.38516	0.5
460.24731	11.0
460.30646	0.5
461.23419	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	459.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35366	2.0
59.01251	22.4
71.01259	4.3
71.04897	4.2
71.18841	6.9
78.43729	2.6
78.95782	13.3
89.22247	2.4
93.03349	29.2
96.95910	7.6
96.96826	2.7
97.11617	2.8
106.04118	3.7
108.02056	3.7
112.38200	2.6
119.04920	8.7
121.02833	12.9
133.06487	14.3
145.06464	3.9
152.99478	23.6
171.08080	6.5
171.10217	2.7
173.09712	5.5
183.08058	4.5
191.10692	9.0
195.08061	4.8
197.09627	7.4
203.10902	2.4
209.09663	4.0
217.12350	2.7
219.13879	15.7
251.14362	4.3
273.18817	2.7
279.17505	3.3
291.19861	3.5
301.05173	2.7
309.22153	5.8
325.20328	3.0
329.21292	8.4
335.20090	11.4
347.22476	3.2
349.25427	6.5
353.21207	33.4
354.21649	2.4
365.21259	8.5
375.23224	14.2
393.20541	2.0
393.24362	69.3
394.24579	7.4
405.24399	10.4
411.25415	100.0
412.25671	9.0
423.25400	7.8
441.26379	6.8
459.26529	4.3
459.31958	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	459.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.7
57.45298	1.0
59.01250	100.0
64.40936	1.2
69.49209	5.1
69.49618	4.0
78.95784	18.9
83.04889	1.3
96.96828	1.8
98.19781	1.6
110.98441	6.6
113.09595	1.3
121.02847	1.3
121.10091	7.3
125.09645	4.8
138.18007	1.1
152.99480	24.8
158.93076	1.3
167.01102	2.0
185.02074	5.1
185.11739	10.3
197.11809	1.9
209.11725	1.9
261.11191	1.6
277.21667	11.9
279.23282	3.2
291.19656	76.9
292.19925	5.6
325.20227	7.1
459.21741	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	459.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15046	1.9
59.01256	30.5
69.26626	1.8
69.26965	21.0
71.01250	6.6
71.04891	2.9
78.95792	4.7
85.02839	2.3
93.03339	32.8
96.95884	1.9
97.06478	2.9
98.19835	3.7
101.02324	2.8
106.04130	3.9
119.04887	10.8
120.72744	1.9
121.02860	10.1
131.04965	2.0
132.05702	3.3
133.06496	14.8
145.06509	5.5
147.04425	1.9
149.05931	2.2
152.99506	8.6
169.06604	3.4
171.08028	3.5
173.09662	3.2
181.72107	2.0
183.07907	1.9
191.10721	9.2
195.08144	5.8
196.08810	2.4
197.09659	7.9
209.09731	5.5
210.10440	2.3
212.11919	2.7
219.13884	19.5
223.11276	3.5
225.12643	3.0
225.14717	2.2
235.11253	2.6
251.14342	4.0
255.19644	4.7
273.18658	2.9
309.22235	9.0
311.16467	3.9
329.21231	11.0
335.20050	12.9
347.22284	2.8
349.25278	6.7
353.21249	41.5
354.21405	3.1
361.25519	2.5
365.20975	10.2
367.26318	6.3
375.23163	15.9
393.24371	69.9
394.24634	7.0
399.23880	3.9
401.09109	2.4
405.24512	10.7
406.24524	2.4
411.25421	100.0
412.25772	12.3
417.24847	11.1
423.25232	6.6
429.14572	2.8
441.26416	5.4
459.26157	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	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00019	0.1
55.01757	0.5
57.03320	0.6
58.00465	0.5
59.01250	100.0
60.01589	0.9
69.03336	0.3
71.01252	9.7
71.58210	0.2
72.01609	0.1
72.99187	0.6
73.02821	2.7
75.00766	0.6
78.88322	0.1
80.96387	0.2
83.01253	1.5
85.02823	4.1
85.99986	0.2
86.03143	0.1
87.00758	0.6
87.04380	1.0
89.02317	3.4
95.01278	0.8
96.30136	0.1
97.02846	0.3
99.00756	1.2
101.02320	6.0
101.05961	2.0
102.02695	0.1
111.00757	0.8
112.01532	0.2
113.02328	4.1
114.02657	0.1
116.92807	0.1
118.90243	0.1
119.03391	1.5
119.26381	0.1
125.02334	0.6
127.87720	0.1
131.03392	0.1
133.02785	0.1
133.04985	0.4
135.04419	0.2
143.03397	0.6
159.02884	0.3
161.02414	0.3
161.04459	2.8
165.01894	0.4
178.77722	0.1
179.05487	0.7
191.01782	0.2
195.13988	0.2
196.32521	0.1
205.03520	0.2
223.13393	0.3
224.13969	0.2
227.03589	0.2
254.02296	0.2
255.19601	0.9
271.02481	2.5
271.05087	0.2
272.02887	0.2
285.04169	0.2
291.10382	0.2
297.20627	1.0
299.01962	4.4
299.05286	0.2
300.02304	0.7
314.04272	3.8
315.04990	1.4
363.22009	0.2
381.22876	0.4
399.23889	3.8
400.24597	0.4
417.24918	5.6
418.25067	0.7
459.09344	3.4
459.21625	0.2
460.09695	0.7
460.27179	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	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19561	0.8
56.92466	0.8
57.03333	4.1
57.62645	0.9
59.01254	100.0
60.01587	1.0
60.35205	0.8
61.98711	1.3
71.01250	2.6
71.20960	0.8
71.57804	1.0
72.99214	1.6
75.00732	3.6
78.95779	21.7
81.26538	0.9
89.02325	1.5
91.03884	2.8
92.16058	0.9
96.96850	1.6
99.04388	3.5
101.02335	2.2
104.78416	0.9
113.02351	1.1
115.07529	0.8
119.04913	3.4
121.02835	3.2
133.04965	17.3
134.03592	1.3
135.04465	1.3
143.04997	1.0
147.04422	9.9
152.99493	31.2
161.04533	1.1
162.03171	1.8
188.57051	1.0
209.11766	1.4
229.82190	1.0
235.07759	0.9
237.05537	3.1
237.14862	1.4
246.55177	0.9
247.07668	1.6
251.07062	1.1
265.05075	5.1
265.08612	1.5
277.21756	8.1
279.23285	2.5
281.08316	1.5
293.08173	1.1
311.09265	5.8
325.20236	9.8
327.21387	1.2
353.11688	1.1
367.13223	1.7
399.12451	2.3
411.12360	3.8
413.32245	0.9
417.25113	1.2
429.13376	4.6
441.13483	4.5
442.13669	1.4
459.13599	5.8
459.25394	1.7
460.15018	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.6
58.00473	0.9
59.01250	100.0
60.01603	0.8
71.01250	18.1
71.57298	0.7
72.01607	0.6
72.80817	0.3
72.99185	1.2
73.02823	6.5
75.00758	0.4
80.96440	0.5
83.01266	2.7
85.02833	4.3
87.00768	1.5
89.02318	16.3
90.02670	0.4
95.01271	1.0
99.00764	1.1
101.02322	14.4
101.02993	0.8
102.02722	0.6
111.00735	0.4
113.02322	7.3
114.02740	0.4
114.59541	0.4
119.03395	7.9
125.02355	0.5
131.03430	0.7
134.36206	0.4
134.79283	0.4
143.03383	2.0
144.03548	0.4
149.04466	0.6
156.90054	0.4
157.74968	0.4
159.02911	0.6
161.04463	4.9
171.10211	0.7
179.05521	5.4
209.15434	0.5
219.17694	0.4
255.19739	2.3
262.86740	0.4
345.83575	0.4
346.63440	0.5
399.23862	0.9
417.24973	4.9
418.25186	0.6
459.25867	1.1
460.27206	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18560	0.3
51.77714	0.2
57.03322	0.4
58.00460	0.8
59.01250	100.0
60.01595	1.2
70.41589	0.4
70.41941	0.7
71.01250	9.9
72.99193	0.6
73.02838	0.3
85.02834	0.9
87.00750	0.6
89.02317	17.7
90.94351	0.3
95.01276	0.5
96.95923	0.3
98.20287	0.4
101.02325	5.2
113.02335	4.5
119.03383	6.7
131.03397	0.6
140.48436	0.3
143.03419	0.9
143.37956	0.3
149.04449	0.5
152.44206	0.3
161.04445	1.7
171.10205	0.3
179.05544	4.3
437.31448	0.3
459.25986	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16150	0.2
55.01760	0.7
57.03324	1.2
59.01249	100.0
60.01586	1.4
69.03322	0.3
71.01250	13.8
72.99192	0.8
73.02821	5.1
75.00748	4.5
77.56249	0.2
78.95797	0.3
81.95817	0.3
83.01244	1.8
85.02818	6.7
87.00761	0.8
87.04401	1.2
89.02314	5.7
95.01270	1.0
97.02862	0.5
99.00760	1.1
100.16715	0.2
101.02324	8.8
111.00748	1.5
113.02328	7.7
119.03379	1.9
121.02834	0.4
122.06036	0.5
125.02354	0.8
129.01857	0.9
130.08636	0.3
132.02040	0.3
133.02895	0.6
133.04942	1.3
135.04428	1.1
143.03432	1.0
147.02898	1.0
149.04424	0.4
159.03006	0.3
161.02379	2.6
161.04439	3.3
169.12280	0.3
179.03435	0.7
179.05557	0.6
191.01921	1.2
223.13422	0.8
253.98743	0.3
255.19685	0.7
297.20743	0.3
325.14804	0.3
329.19824	1.0
331.95270	0.3
343.21390	0.4
381.23145	0.4
399.23856	8.3
400.24344	1.1
417.24893	8.4
418.25467	0.7
459.21146	0.9
468.77109	0.3
481.80905	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01789	0.3
57.03323	0.8
59.01250	100.0
60.01590	0.7
60.81483	0.4
61.98703	0.6
70.82697	0.3
71.01252	7.7
71.01614	0.6
71.58239	0.6
72.99185	0.6
73.02833	1.6
79.16270	0.3
80.96394	1.5
83.01276	0.5
85.02814	3.5
87.00764	0.6
89.02320	4.6
95.01282	0.7
96.95914	0.6
99.00766	0.7
100.76980	0.4
101.02331	4.8
111.00835	0.4
113.02338	3.2
119.03411	2.5
125.02337	0.4
142.98953	0.5
143.03419	0.9
149.04485	0.5
159.02896	0.5
161.04456	4.1
161.09691	0.4
179.05574	1.2
188.06421	0.4
223.13400	0.8
315.25616	0.4
399.23935	1.4
459.26157	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	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.6
55.64170	0.3
57.03326	0.6
59.01251	100.0
60.01587	1.0
61.50333	0.3
61.92779	0.3
65.49561	0.2
65.95631	0.3
68.31231	0.3
68.60847	0.3
71.01254	7.7
71.20796	0.5
72.99194	0.6
73.02821	2.0
75.00736	0.4
82.49972	0.3
83.01279	1.0
85.02821	3.9
85.03287	0.4
87.04398	0.8
89.02327	2.4
93.03321	0.3
95.01281	0.6
96.95885	0.3
97.02835	0.4
99.00772	1.1
101.02323	4.3
111.00765	1.4
113.02336	6.8
119.03429	0.6
129.01805	0.4
139.11147	0.3
143.03412	0.5
159.02859	0.3
161.04462	2.9
164.95030	0.4
174.01593	0.4
194.21385	0.3
223.13458	0.4
243.04929	0.4
253.18196	0.8
255.19946	0.4
261.17078	0.3
297.18854	0.4
308.13809	0.4
343.21399	0.4
384.42017	0.3
399.23846	6.0
400.24054	0.5
415.23627	1.7
417.24899	2.6
418.25449	0.4
459.22626	4.3
460.23029	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63937	0.6
59.01257	1.6
71.57603	1.4
78.95789	8.5
87.03520	0.7
91.66599	0.8
111.70950	0.7
117.46805	0.9
124.99979	3.9
149.18835	0.7
152.99475	1.6
181.02670	2.2
199.03651	4.1
230.50363	0.8
272.80496	0.8
277.21729	100.0
278.22061	7.2
459.25067	5.9
460.25577	1.2
473.67557	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28592	0.5
58.17072	0.5
59.01245	2.2
61.44997	0.5
69.29495	5.0
78.95778	21.5
88.00806	0.5
89.64017	0.6
125.00016	4.7
152.99501	6.3
174.96542	0.5
181.02655	8.2
196.02216	0.7
199.03696	3.7
274.57788	0.6
275.20078	1.1
277.21722	100.0
278.22092	7.9
297.72064	0.6
447.53384	0.6
459.25195	11.5
459.35031	4.7
460.25958	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	459.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.5
55.20552	0.2
57.03316	0.6
59.01251	100.0
60.01585	1.1
69.03311	0.3
69.24669	2.6
71.01253	6.8
72.99190	0.7
73.02815	2.1
75.00739	2.5
75.01057	0.2
76.78442	0.2
79.95644	0.2
80.96387	0.2
83.01265	1.1
83.04895	0.2
85.02827	4.1
87.00786	0.4
87.04360	0.5
89.02324	3.0
93.03368	0.4
95.01289	0.7
96.95827	0.2
98.19774	0.5
99.00782	0.7
100.01009	0.2
101.02328	4.7
101.05982	0.9
107.14762	0.2
111.00787	0.8
112.01640	0.2
113.02325	2.3
119.03418	0.8
122.06033	0.3
124.01563	0.3
125.02372	0.7
129.01855	0.7
131.03426	0.3
131.04582	0.3
133.02879	0.3
133.04959	1.9
135.04405	1.2
135.08168	0.2
143.03445	0.5
147.04446	0.2
159.02968	0.3
161.02382	0.9
161.04459	1.7
173.00879	0.3
179.03473	0.9
179.05582	0.3
191.01968	0.6
223.09724	0.2
223.13438	0.9
255.19644	0.4
271.02518	0.5
289.18201	0.7
296.03137	0.3
297.03915	0.4
297.20972	0.4
299.02063	0.9
314.04468	0.8
315.04883	0.2
343.21283	0.3
363.22183	0.3
381.23007	0.7
399.23782	2.3
400.24286	0.3
401.16418	0.2
417.24942	2.4
418.25436	0.5
459.09177	1.5
459.21506	0.9
466.45740	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	5.2
60.23205	1.2
71.58236	2.3
78.95779	25.0
119.70412	1.3
122.14851	1.3
124.99982	4.8
130.09225	1.3
147.85297	1.4
152.99478	12.4
181.02640	9.0
277.21722	100.0
278.22076	6.7
278.24719	1.2
287.23901	3.6
299.10327	1.3
441.33643	5.3
459.25143	14.4
459.34937	2.2
460.25421	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	459.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.4
57.03320	0.9
58.00479	0.2
59.01248	12.2
60.01583	0.2
66.58926	0.1
69.03328	2.1
69.55392	0.3
69.55788	1.2
71.00885	0.3
71.01256	4.6
71.04889	0.8
72.99162	0.4
73.02823	1.1
80.96392	0.7
81.03288	0.2
83.01254	0.5
83.04892	0.4
85.02831	1.0
85.06465	0.5
87.00746	0.7
89.02316	3.5
93.03349	0.3
95.01297	0.3
95.04872	0.3
97.06469	0.2
98.20479	0.3
99.00747	0.3
101.02325	4.4
105.81620	0.2
108.05692	0.3
108.38154	0.2
109.06470	0.5
113.02322	1.7
119.03363	1.0
121.02826	0.2
123.07971	0.2
125.09592	0.4
131.03331	0.2
131.88768	0.2
133.04942	0.4
134.56273	0.2
135.11659	0.2
141.01593	0.3
141.09148	0.2
142.85106	0.2
143.03381	0.3
146.73224	0.2
149.09613	0.5
152.99434	0.3
153.09084	0.2
161.04427	1.8
161.13258	0.4
165.32031	0.2
167.10704	3.4
168.11111	0.2
168.57899	0.2
169.04703	0.2
177.12778	0.5
179.05554	0.4
179.10760	1.1
179.14311	3.3
180.14671	0.3
195.13840	9.8
196.14188	0.6
205.12271	9.3
206.10796	0.2
206.12610	0.7
223.13350	100.0
224.13689	7.1
225.04765	0.2
235.08157	0.9
253.09267	15.7
254.09648	0.8
459.22299	4.2
460.22635	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94640	0.2
55.01746	0.4
57.03310	0.8
58.00459	0.5
59.01249	19.1
61.98698	0.3
68.05435	0.2
69.03323	2.2
71.00890	0.3
71.01254	4.8
71.04892	0.6
71.58010	0.3
72.99180	0.3
73.02805	1.1
75.00738	0.3
82.51649	0.2
83.01250	0.6
83.04882	0.7
85.02822	1.3
85.06474	0.5
87.00750	0.4
89.02312	4.3
91.03846	0.2
93.03349	0.5
95.01226	0.5
95.04917	0.4
99.00751	0.2
101.02328	5.0
109.02876	0.2
109.06461	0.5
112.93613	0.5
113.02328	2.2
119.03349	1.3
122.43356	0.2
125.09609	0.5
131.03432	0.3
134.03362	0.2
135.11624	0.3
139.25977	0.2
141.09117	0.3
143.03366	0.5
149.09610	0.5
151.10957	0.3
161.04451	1.5
161.13297	0.4
167.10677	3.3
177.12781	0.4
179.05492	0.6
179.10690	1.0
179.14316	3.5
187.11185	0.4
195.13824	9.6
196.14215	0.6
201.11183	0.5
205.12283	8.9
206.12605	0.6
209.02882	0.2
223.13339	100.0
224.13675	7.2
235.08051	0.5
253.09258	17.5
254.09642	1.0
307.75378	0.2
331.87747	0.2
336.88168	0.2
459.22177	3.7
460.22458	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.7
59.01255	23.3
71.01250	1.5
71.04874	1.3
71.44908	2.0
74.02020	1.0
78.95783	15.9
88.90676	1.0
89.21455	1.0
93.03374	6.3
96.90836	1.1
97.06517	1.6
100.00272	1.7
110.98405	8.4
113.09623	3.8
121.02859	2.9
121.10115	9.7
123.08001	1.1
125.09641	6.5
139.11174	1.0
145.26649	1.1
152.99503	6.3
159.10156	1.1
167.01065	4.9
171.10173	1.1
180.53529	1.2
185.02161	7.7
185.11731	10.5
197.11806	3.6
207.13818	2.7
211.13350	2.0
216.26228	1.1
291.19659	100.0
292.19946	7.5
301.17981	1.1
309.20929	1.7
313.18076	4.1
314.15698	2.0
317.21204	3.7
329.21097	1.3
371.17972	1.4
401.98260	1.1
411.25217	1.8
415.16931	2.4
423.25549	2.5
430.57034	1.1
441.26245	3.0
459.21637	10.4
459.30655	3.0
460.23111	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	2.2
59.01253	16.4
69.03336	3.4
71.01260	44.1
71.04877	2.8
72.99185	10.0
73.02795	2.1
73.12213	1.4
78.95774	19.7
80.84139	1.6
81.03372	1.7
83.04907	15.3
85.02813	2.6
87.00755	2.8
87.04411	3.0
89.02356	2.6
93.03349	27.2
95.04926	3.1
95.79794	1.4
96.95895	2.3
96.96823	3.0
97.06477	3.8
101.02325	2.8
113.02331	2.8
115.00249	15.2
115.63481	1.9
121.02863	4.5
123.08060	4.6
125.09614	2.1
133.01306	6.1
135.08044	10.3
147.04465	7.5
152.98311	2.7
152.99503	38.2
153.09157	3.0
161.05940	1.8
163.03963	2.1
171.10181	38.6
175.03897	5.3
201.11285	13.0
203.03490	2.1
209.15407	2.7
211.13371	4.8
212.13678	5.7
219.13870	2.7
223.13313	3.9
237.14877	13.3
249.09149	2.0
249.14871	4.6
255.15973	15.6
267.10193	11.5
277.21780	11.0
279.23288	2.0
285.17090	12.7
297.11090	3.0
325.20297	1.9
343.21274	100.0
344.21579	9.5
411.11841	2.0
415.23218	2.5
441.21176	5.9
459.14230	5.0
459.22620	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	459.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94731	0.8
55.40087	0.8
59.01242	4.2
60.18389	0.9
65.99718	9.6
66.00819	2.5
68.02410	91.5
69.78137	2.3
69.78543	4.2
71.01263	1.1
108.01963	1.5
109.02717	3.4
121.02817	2.0
124.07575	59.5
125.07925	1.5
126.99455	100.0
127.99783	3.3
137.08371	0.9
139.08685	1.4
151.98988	3.6
152.08211	3.1
164.08183	3.0
165.07788	1.8
165.08986	2.4
166.09775	41.5
167.10103	2.0
181.01646	1.1
190.06046	1.1
191.09274	1.2
193.08501	17.7
208.02762	8.6
235.13081	15.2
250.15576	61.7
250.31992	1.0
251.15929	5.1
262.15549	2.0
263.16333	1.4
275.12762	1.4
292.08533	2.3
365.77652	1.1
459.19144	97.7
460.19437	12.4
460.26077	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74628	1.1
59.01250	9.6
65.99709	8.0
66.00821	1.8
66.04449	1.1
68.02412	86.6
68.45959	1.1
71.57804	2.3
108.01952	1.3
109.02655	1.3
121.02845	1.6
124.07574	41.8
126.99465	50.0
127.99883	1.5
132.02930	1.6
139.08716	1.4
151.98967	3.8
152.99493	4.0
154.56868	1.1
165.07808	1.6
165.09023	3.6
166.09773	17.2
193.08502	21.4
194.62959	1.2
208.02750	8.6
234.14935	1.4
250.15596	58.7
251.15897	3.3
253.74724	1.2
262.15350	1.4
275.12466	2.3
277.21768	2.5
291.19492	1.7
292.08856	1.4
297.15326	2.0
331.19034	1.4
459.19180	100.0
460.19482	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	459.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45176	2.4
52.49144	2.1
55.01753	2.3
57.03309	4.4
58.00458	4.9
58.46978	2.3
59.00952	5.0
59.01250	100.0
61.67319	2.4
70.07561	9.4
71.01256	75.3
72.99178	6.6
73.02803	2.7
77.69939	2.1
78.95765	8.6
82.87903	2.1
83.01234	2.4
85.02828	19.9
87.00731	6.2
89.02322	90.3
93.03355	12.6
95.01270	3.1
99.00726	3.1
99.08043	2.7
101.02328	36.9
113.02332	35.0
115.00244	3.5
117.55630	2.5
119.03401	34.6
121.02824	2.7
123.04433	2.3
125.02341	2.3
131.03406	3.6
131.05020	2.2
143.03400	7.7
145.06400	3.3
146.03616	5.8
147.04399	4.5
149.04442	4.0
152.99481	8.0
161.04474	10.8
173.05966	6.3
179.05530	28.0
182.51874	2.5
212.13716	3.4
216.40692	2.3
249.09193	20.0
258.17633	2.7
267.10095	5.1
276.62299	2.6
279.10284	28.8
297.11191	17.9
305.11719	4.4
321.11307	5.2
429.16354	2.7
441.15662	13.3
459.16818	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	459.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32015	8.5
59.01254	94.6
63.52180	10.4
69.41766	93.2
71.01256	72.7
72.99173	15.5
73.42346	9.9
78.95786	34.4
85.02824	12.9
89.02327	56.4
96.00775	10.0
98.20653	10.5
101.02331	21.9
106.97047	9.9
109.64548	9.9
119.03384	29.3
121.02892	19.1
126.39254	11.8
128.03418	13.2
130.35403	10.9
131.04919	35.9
144.24919	11.0
152.99554	13.2
162.18530	9.4
202.22195	10.8
223.13344	12.8
243.08195	25.4
261.09204	18.6
279.10263	100.0
297.11182	14.7
459.18964	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	459.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94731	0.8
55.40087	0.8
59.01242	4.2
60.18389	0.9
65.99718	9.6
66.00819	2.5
68.02410	91.5
69.78137	2.3
69.78543	4.2
71.01263	1.1
108.01963	1.5
109.02717	3.4
121.02817	2.0
124.07575	59.5
125.07925	1.5
126.99455	100.0
127.99783	3.3
137.08371	0.9
139.08685	1.4
151.98988	3.6
152.08211	3.1
164.08183	3.0
165.07788	1.8
165.08986	2.4
166.09775	41.5
167.10103	2.0
181.01646	1.1
190.06046	1.1
191.09274	1.2
193.08501	17.7
208.02762	8.6
235.13081	15.2
250.15576	61.7
250.31992	1.0
251.15929	5.1
262.15549	2.0
263.16333	1.4
275.12762	1.4
292.08533	2.3
365.77652	1.1
459.19144	97.7
460.19437	12.4
460.26077	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61613	0.6
57.04785	0.5
66.90268	0.5
71.01251	2.2
71.36767	0.7
73.02834	0.7
74.57308	0.6
85.02828	0.8
93.03369	0.9
94.98591	0.6
96.96696	0.5
101.02325	1.3
113.02361	1.4
114.75482	0.6
116.39165	0.5
118.96761	0.5
119.04922	1.4
121.02850	100.0
122.03179	2.4
144.53410	0.5
145.06464	2.0
147.04321	0.7
161.04504	1.7
226.84125	0.5
237.89557	0.5
246.64293	0.6
249.09172	1.0
251.10789	0.8
267.10257	1.7
279.10382	0.8
297.11331	59.7
298.11652	6.1
437.66904	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64664	0.5
53.72183	0.4
59.01249	3.8
70.55669	1.3
71.01245	1.3
78.95780	0.5
85.02847	0.8
89.02322	1.6
97.59998	0.5
101.02316	0.9
113.02293	0.4
119.03391	0.6
130.04120	1.2
131.04933	10.4
149.06059	0.6
215.08528	0.5
231.08099	1.5
233.09666	1.3
241.06570	0.6
242.07413	3.6
243.08112	14.4
244.08562	1.2
249.09207	1.0
250.09874	0.6
260.08392	0.5
261.09204	9.8
262.09485	1.0
267.10358	1.3
279.10269	13.1
280.10620	1.3
293.08313	0.8
297.11322	100.0
298.11673	8.5
339.12085	0.4
445.61371	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00460	6.5
59.01255	100.0
71.01254	60.7
71.44973	6.9
85.02824	5.9
87.00744	3.5
88.69148	3.1
89.02324	98.2
93.03339	12.7
96.78564	3.2
101.02321	28.4
113.02328	34.8
117.73991	3.5
119.03408	35.9
131.03375	5.8
143.03432	7.9
145.06442	8.3
149.04504	5.5
157.32425	3.7
161.04436	11.3
173.05942	6.8
179.05566	26.5
249.09109	20.4
279.10226	17.5
429.15579	5.5
441.15414	9.4
477.39435	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	459.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77351	1.8
54.11538	1.5
58.00467	4.6
59.01250	22.0
61.98707	2.8
71.01247	8.3
71.56907	2.2
73.02791	1.7
74.47044	1.5
77.80459	1.7
78.95768	18.3
85.02849	1.6
89.02303	4.7
93.03333	18.3
94.26418	1.7
96.95889	2.5
96.96835	4.2
101.02283	2.5
113.02332	2.2
114.91429	2.1
119.04910	15.1
121.02826	3.2
121.64941	1.7
123.08063	2.0
129.44919	2.0
131.04500	3.1
133.04958	3.4
134.03613	5.7
135.04407	18.5
147.04453	10.3
152.99495	36.7
165.05464	14.6
171.13818	6.6
174.01610	3.7
192.04163	1.7
203.08467	1.8
203.66913	1.5
219.08253	1.8
223.07607	3.2
223.13232	1.8
227.12735	1.8
231.08095	35.7
232.08455	2.7
237.09184	3.0
237.94295	1.7
249.09157	18.8
251.07042	2.1
263.07065	7.5
267.10251	70.5
268.10449	3.3
277.21704	19.0
278.21909	2.3
281.08145	7.1
287.16504	3.7
289.18030	4.8
293.08228	19.8
297.11279	2.4
305.08084	5.1
311.09235	100.0
312.09464	6.6
317.08319	11.0
379.68274	1.7
383.13062	2.9
393.11163	2.1
399.12250	4.5
411.12231	7.0
423.12390	2.6
429.13287	7.5
429.17603	6.0
441.13535	7.0
459.14642	8.3
459.21442	1.9
460.14670	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	459.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	18.9
61.32763	0.7
61.98716	1.2
69.03315	2.4
71.01247	2.6
71.58244	1.9
72.99180	0.8
78.95787	3.5
85.02836	1.7
87.79794	0.8
89.02316	1.9
93.03337	8.4
96.95918	0.9
113.02369	1.0
119.03431	1.0
119.04939	3.3
121.02848	60.9
122.03146	1.6
131.04929	2.0
133.04987	0.9
134.03639	1.6
135.04398	2.7
138.06314	0.8
143.04944	1.6
145.06502	1.5
147.04422	7.1
149.06036	1.6
152.99493	5.8
157.06511	1.0
159.04407	1.1
160.05267	1.8
161.02188	0.9
161.04605	0.9
161.05991	1.0
165.05437	1.9
171.10226	0.8
193.06573	1.0
197.11746	1.4
205.06578	0.8
209.05956	1.8
211.07607	2.6
219.08214	1.0
221.06012	3.3
223.07581	2.9
223.13312	2.7
224.08287	1.7
231.08116	1.4
235.07684	0.9
235.13379	1.2
237.05597	4.2
237.09222	4.1
239.07137	9.9
240.07416	1.3
246.09688	1.0
249.09235	2.0
251.07190	1.6
253.08765	1.7
256.07352	1.7
261.09158	2.4
263.07010	1.6
263.10806	1.2
264.11761	1.1
265.05103	2.8
265.08701	1.0
267.10294	1.0
277.08923	0.9
279.10281	3.5
280.07642	1.0
281.08182	12.6
283.06134	2.0
289.18271	0.9
293.11673	0.9
297.11334	4.1
335.10831	1.4
337.12225	4.9
343.21341	1.1
349.12323	1.9
353.11761	2.1
354.12515	4.5
355.13339	23.7
356.13715	2.0
367.13535	5.2
371.12637	1.6
381.11121	1.1
385.14441	6.1
385.25110	2.0
397.14444	2.4
399.12268	1.6
411.12317	2.2
415.15503	47.7
416.15924	5.1
429.13202	5.3
430.13763	1.2
431.15030	2.2
441.13492	5.7
442.13989	1.8
459.14493	100.0
460.14749	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	457.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54234	1.1
58.76248	1.2
59.01262	7.9
59.01516	1.6
69.30295	12.6
71.01260	5.1
81.93694	1.1
82.04765	1.3
87.00768	2.3
89.02303	7.4
98.51376	1.1
101.02309	2.1
105.70589	1.2
113.02332	1.5
119.03329	1.4
161.04465	3.1
179.05502	10.2
277.21710	100.0
278.22009	11.6
289.53134	1.2
344.53448	1.2
439.32193	1.6
457.33292	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53064	0.7
53.84413	0.7
59.01252	100.0
60.01601	1.0
69.72519	5.9
71.01266	1.0
71.04884	1.1
78.95776	0.9
96.50175	1.0
121.02858	2.0
145.90004	0.8
203.42453	0.7
217.00212	2.5
228.53406	0.9
291.19681	2.0
323.22330	2.9
374.99136	1.0
433.73212	0.9
457.27872	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	457.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91139	0.8
59.01253	100.0
64.24233	0.9
67.63318	0.9
68.08838	0.9
69.72924	1.9
69.73322	5.8
71.01214	1.1
74.81539	0.9
83.85918	1.0
119.49107	1.0
128.23682	1.0
130.49983	1.0
133.79100	1.1
177.79172	1.2
182.17313	1.0
193.37843	1.2
197.25110	1.0
201.45842	1.1
217.00333	1.7
281.17081	1.1
323.22238	2.8
361.54230	1.1
374.99515	1.3
457.27631	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	459.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01228	1.9
71.01251	1.6
71.19479	1.4
72.99177	1.8
73.02818	41.9
74.03115	1.1
85.02827	5.7
93.29932	1.2
99.00768	6.4
116.92725	4.6
117.01825	100.0
118.02187	2.6
118.04929	1.2
133.04976	9.6
134.28114	1.1
179.03331	1.2
191.01852	2.0
193.65768	1.1
204.83987	1.2
209.02937	1.2
341.11096	1.7
417.88193	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	457.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
59.91244	2.5
66.03880	2.7
69.03322	2.5
71.06869	6.3
71.07216	3.2
78.95794	6.4
83.92998	2.8
93.03362	3.5
95.04917	5.9
100.71792	2.5
109.06510	3.0
119.04932	8.0
119.67495	3.0
123.08024	3.9
133.06499	33.0
147.04424	8.5
152.99480	5.5
156.88889	2.5
171.10156	5.0
189.12788	3.7
217.00211	5.2
243.17494	13.6
269.15573	4.2
287.16531	64.0
288.16888	6.4
305.17822	5.5
309.11130	3.2
337.12354	2.7
355.13504	4.1
361.20306	3.1
365.11929	6.8
377.11838	6.1
378.22815	3.0
383.13013	23.0
395.12796	14.9
396.13321	4.1
399.12296	3.7
427.11859	8.8
439.11700	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2596
Annotation	(+)-Lucidenic acid A
Peak:m/z	Relative Intensity
59.01257	18.3
69.71112	2.1
70.91254	6.6
71.01248	7.3
71.04897	35.3
75.05391	2.2
78.95777	6.6
88.76565	2.6
93.03341	50.7
97.06481	48.9
105.21719	2.2
106.04152	2.4
108.02073	3.4
119.04913	10.0
121.02853	100.0
122.03174	2.7
123.08059	10.0
132.05685	3.8
133.06503	4.6
134.03603	3.8
135.01035	2.4
135.04340	3.1
138.95784	2.3
152.99492	3.4
156.05714	19.6
169.06499	4.7
170.07274	11.3
171.07979	3.7
171.10236	5.3
182.07274	2.8
183.08102	2.9
184.08885	5.1
185.11804	2.7
189.09196	15.1
195.08112	3.4
196.08929	4.4
197.09734	4.2
207.13809	5.4
209.09717	4.6
211.13304	3.0
217.00188	15.6
219.13898	8.3
221.09761	3.4
223.11224	3.6
233.15509	5.0
235.13382	4.2
243.13918	3.9
246.35820	2.5
253.16068	2.6
259.17004	4.0
265.18121	3.5
267.17642	4.5
269.15436	3.0
271.17117	3.0
273.14941	3.1
281.15469	8.3
285.15341	5.3
285.18613	17.7
287.16507	4.9
289.18143	3.4
293.15628	5.5
293.18958	3.8
299.16565	67.6
299.19952	6.4
300.17010	4.9
303.16159	2.6
307.17236	5.6
311.16586	33.9
313.18088	8.9
315.19623	21.1
317.21423	4.9
319.17035	7.3
323.16437	3.2
325.18097	15.3
327.19553	9.5
337.18060	28.4
338.18549	4.6
345.20880	11.7
349.18149	5.7
365.21240	12.3
365.25006	3.3
374.99310	6.6
391.22913	11.9
403.22589	3.9
409.23877	96.1
410.24231	11.8
413.30905	4.6
421.23785	32.3
439.24527	15.9
439.32507	2.6
440.25507	3.2
457.25150	5.8
457.33261	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	457.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.9
57.03329	1.2
58.00463	0.8
59.01251	100.0
60.01588	1.2
69.03322	0.6
71.01254	18.3
71.57588	0.4
72.99180	1.8
73.02817	6.3
75.00770	0.8
78.23778	0.3
81.03340	0.5
83.01261	2.6
83.04929	0.4
85.02821	7.1
85.81396	0.3
87.00771	0.9
88.98714	0.3
89.02319	7.0
93.03345	0.4
95.01247	1.6
95.04877	0.3
96.95869	0.4
97.02832	0.7
99.00751	2.0
99.04421	1.1
101.02323	12.8
105.01801	1.3
109.06495	0.6
111.00761	0.4
112.01585	0.2
113.02326	7.8
119.03396	3.0
123.04459	0.3
125.02354	0.9
131.03409	0.4
132.44115	0.3
136.55072	0.2
143.03453	1.0
149.04492	0.3
159.02921	0.8
161.04468	6.4
162.89246	0.6
166.41400	0.3
177.12840	0.4
179.05565	1.0
195.13821	0.3
207.13905	1.0
209.11847	0.9
217.00356	0.4
223.13400	0.3
227.12883	0.3
229.14249	0.4
237.18556	0.3
249.15134	0.4
253.18030	2.5
267.09143	0.7
283.06445	0.3
297.17365	0.4
367.18283	0.3
397.18051	0.3
397.22177	1.3
398.68744	0.3
415.23373	9.3
416.24020	1.1
419.12964	0.4
421.12936	0.5
432.69324	0.3
439.27151	0.3
457.11417	0.5
457.24350	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	457.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59985	0.3
55.01756	0.6
57.03325	1.4
58.00463	1.3
58.46820	0.3
59.01249	100.0
60.01580	0.8
69.03325	0.9
70.97939	0.6
71.01254	19.3
71.04907	0.6
72.99189	1.1
73.02814	12.8
75.00761	0.3
83.01260	3.8
83.04895	0.7
85.02818	5.5
85.96420	0.3
87.00728	2.1
89.02319	9.9
95.01286	1.2
96.34189	0.3
97.02837	0.5
97.06484	1.2
99.00751	1.5
101.02318	15.5
101.05956	1.7
102.02677	0.4
111.00752	0.4
113.02324	7.2
113.03054	0.5
119.03371	3.8
125.02344	1.0
125.09615	0.3
131.03444	0.5
143.03401	1.6
149.04463	0.7
149.09511	0.3
155.03445	0.4
161.04474	3.2
164.22701	0.4
165.12762	15.1
166.13156	0.9
179.05673	0.7
183.13809	5.8
184.14124	0.4
195.13907	0.6
225.01781	0.3
235.16985	3.7
250.14021	0.4
253.18028	3.1
265.18228	0.5
397.22360	4.0
398.22809	0.7
415.23364	4.6
416.23843	0.8
457.24481	0.8
458.25363	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27692	0.1
55.01750	0.4
57.03321	0.6
58.00465	0.4
59.01250	100.0
60.01590	1.0
60.76402	0.1
61.21389	0.1
64.29818	0.1
68.99654	0.2
69.03329	0.2
69.67131	0.3
69.67555	0.5
71.01253	12.0
72.01613	0.2
72.99194	0.6
73.02820	3.8
73.82188	0.1
83.01260	1.2
83.04879	0.3
83.65653	0.1
85.02821	4.5
85.06434	0.2
85.25817	0.1
87.00764	0.6
89.02316	6.9
93.49311	0.1
95.01273	1.2
97.02831	0.2
98.20529	0.1
99.00748	0.9
101.02322	5.9
102.02707	0.2
109.06449	0.2
111.00787	0.2
113.02333	11.2
113.05964	0.2
114.02663	0.3
119.03387	2.3
125.02347	0.5
126.99468	0.4
131.03400	0.5
143.03459	0.5
147.11647	0.2
149.04460	0.3
149.09673	0.3
159.02936	0.3
161.04466	2.2
179.05495	0.7
217.16045	0.1
235.17085	0.3
253.17944	0.2
397.22351	1.3
398.23056	0.2
415.23282	1.4
416.23602	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.8
57.03323	1.2
58.00468	0.7
59.01248	100.0
60.01589	1.2
69.03326	0.6
71.01250	21.7
72.01591	0.4
72.99182	1.0
73.02811	8.5
75.00756	0.5
81.06969	0.4
83.01263	3.3
85.02820	7.5
85.74863	0.3
87.00758	0.9
89.02318	9.7
90.98761	0.3
95.01251	1.4
96.95878	0.3
97.02830	0.7
99.00744	1.6
101.02316	13.7
101.06013	0.4
108.19781	0.3
109.61507	0.3
111.00727	0.3
113.02322	9.6
114.06769	0.7
119.03369	3.4
125.02412	0.6
127.05031	0.5
127.07538	0.3
131.03410	0.6
141.09158	1.2
141.94138	0.3
143.03387	1.5
149.04524	0.6
157.22272	0.3
159.02917	0.7
161.04428	2.8
165.01999	0.3
165.12672	0.4
178.40343	0.3
179.05559	1.0
183.13814	0.6
188.54433	0.3
218.77502	0.3
235.17043	2.0
253.18083	4.4
253.20567	0.4
271.02481	0.7
299.01956	1.4
299.54974	0.3
314.04205	1.9
315.05035	0.7
351.13605	0.3
397.22266	12.0
398.22833	1.5
415.23352	16.8
416.23682	2.2
457.07666	0.6
457.24478	2.6
457.29547	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61143	0.3
54.56436	0.3
55.01762	1.0
57.03326	4.4
58.00467	0.5
59.01252	100.0
59.71200	0.3
60.01581	1.0
69.03330	1.2
69.38212	1.5
69.38646	1.8
71.01254	23.3
71.04886	1.9
72.99190	0.8
73.02819	14.8
75.00778	0.5
81.03328	0.9
83.01254	4.2
83.04927	1.3
85.02825	6.7
87.00777	1.3
87.04414	0.4
88.35915	0.4
89.02319	7.2
95.01279	1.7
95.04932	1.0
97.02856	0.9
97.06487	2.1
99.00775	1.3
99.04437	0.7
101.02322	17.6
101.05965	7.6
113.02333	13.2
113.03139	0.4
113.06005	0.5
119.03384	2.2
125.02385	0.6
125.09676	0.7
126.99452	0.6
131.03398	1.0
139.11211	1.0
143.03427	1.6
149.04449	0.8
159.02809	0.4
161.04462	4.9
165.12767	22.0
166.13153	0.8
179.05544	0.7
183.13837	26.1
184.14224	1.4
209.11784	0.5
235.17024	7.7
235.19324	0.6
236.17604	0.5
249.19037	0.3
253.18066	9.5
253.20610	0.5
254.18388	0.6
325.20740	0.4
397.22369	2.0
415.23697	1.3
443.12344	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26871	0.4
55.01770	0.5
58.00456	0.9
59.01250	100.0
60.01581	1.0
63.47963	0.5
69.03332	0.5
71.01257	18.6
72.99179	0.9
73.02821	10.3
73.21561	0.4
77.48936	0.4
83.01253	2.6
85.02833	4.2
87.00766	0.6
89.02316	12.1
94.91234	0.4
95.01300	0.7
96.95882	0.5
98.20554	1.0
99.00752	0.8
99.85149	0.4
101.02328	14.1
109.05700	0.4
111.00788	0.8
113.02325	8.2
119.03394	4.4
130.75117	0.5
131.03418	1.7
143.03452	0.6
149.04543	0.7
161.04500	2.4
179.05600	1.3
187.03937	0.4
193.14394	0.5
303.76498	0.4
446.19742	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26871	0.4
55.01770	0.5
58.00456	0.9
59.01250	100.0
60.01581	1.0
63.47963	0.5
69.03332	0.5
71.01257	18.6
72.99179	0.9
73.02821	10.3
73.21561	0.4
77.48936	0.4
83.01253	2.6
85.02833	4.2
87.00766	0.6
89.02316	12.1
94.91234	0.4
95.01300	0.7
96.95882	0.5
98.20554	1.0
99.00752	0.8
99.85149	0.4
101.02328	14.1
109.05700	0.4
111.00788	0.8
113.02325	8.2
119.03394	4.4
130.75117	0.5
131.03418	1.7
143.03452	0.6
149.04543	0.7
161.04500	2.4
179.05600	1.3
187.03937	0.4
193.14394	0.5
303.76498	0.4
446.19742	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12521	8.8
71.57672	11.4
71.58018	8.5
72.99178	22.1
75.00754	12.8
78.09032	8.7
99.96985	8.2
147.06538	100.0
148.42325	9.4
195.52075	9.4
261.61096	9.7
376.73740	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	457.1847
Annotation	SCHEMBL16243022
Peak:m/z	Relative Intensity
50.59881	0.4
57.03305	1.1
59.01260	1.0
69.34701	4.7
73.15689	0.5
78.95778	21.8
83.04904	0.7
84.23393	0.5
85.02843	0.8
90.59908	0.4
96.96838	2.3
99.92506	0.5
125.09637	2.6
127.11168	3.7
152.99500	30.1
155.14320	1.6
165.12669	0.5
167.14305	2.2
171.00531	2.5
171.10156	2.7
173.11742	1.9
183.13910	1.5
193.12321	0.8
209.11708	2.6
211.13330	10.4
212.13547	0.6
223.13281	1.7
227.01274	0.5
227.03180	3.1
229.14415	100.0
230.14740	5.5
245.04254	1.4
250.14560	1.2
365.13705	1.1
383.15192	0.6
398.19510	0.9
431.13736	0.5
457.18436	59.2
458.18808	5.9
460.99561	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.3
59.01249	3.1
60.31126	0.8
69.78868	5.4
71.01264	2.1
73.19028	0.8
74.02371	0.9
75.00766	0.9
78.95777	13.6
83.04892	0.9
89.02319	1.7
96.00790	2.5
96.95882	1.0
96.96853	2.5
104.88017	1.0
108.35157	0.8
113.02365	1.3
121.02777	0.9
125.09573	1.6
127.11190	3.6
128.03409	1.1
130.08585	1.1
143.04582	0.9
152.99509	11.4
155.14355	1.0
167.14337	0.9
171.00580	1.0
171.10231	2.7
209.11691	4.1
211.13293	6.6
229.14412	100.0
230.14706	5.9
245.04340	2.5
295.09943	1.2
336.66446	0.8
337.12402	1.0
359.08643	1.0
422.23251	1.5
439.25000	1.3
457.18521	35.9
458.18802	2.0
458.24588	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81124	0.4
57.03311	0.9
59.01235	1.2
63.25046	0.4
70.69811	0.9
70.70181	0.9
71.01247	0.8
72.99191	1.0
75.00729	0.8
78.95777	10.3
83.04908	0.8
85.02824	0.8
89.02318	0.9
96.95901	0.5
96.96841	1.1
125.09583	1.7
127.11189	3.7
133.02863	0.7
133.04956	3.4
135.04408	0.9
146.74864	0.5
146.98102	0.4
152.98300	0.8
152.99484	10.5
155.14323	1.1
160.01530	0.5
161.02339	4.9
165.12785	1.0
167.14336	1.7
171.00526	1.9
171.10197	3.2
179.03413	1.0
183.13921	1.5
193.12265	0.8
202.82224	0.4
209.11761	3.0
211.13359	8.7
212.13649	0.5
227.03203	1.0
229.14410	100.0
230.14755	4.9
245.04297	1.5
250.14378	0.4
295.10342	2.3
323.07639	3.5
354.03799	0.5
431.28226	0.5
437.37704	0.4
457.18466	38.1
458.18991	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	457.177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.5
58.00455	1.5
58.02847	2.7
59.01252	71.9
61.89178	0.9
62.83167	0.8
70.02842	6.2
70.82491	2.4
71.01251	11.3
72.04413	1.5
72.99162	1.1
73.02812	6.3
74.02345	33.4
83.01265	2.1
85.02807	5.1
86.02357	1.1
89.02310	9.0
93.03354	1.2
96.95887	1.4
98.02345	8.2
98.20235	1.2
98.78228	0.8
99.00748	1.5
99.02639	1.1
101.02316	9.8
111.00769	1.3
112.93619	1.3
113.02323	7.3
116.03426	11.7
116.04931	10.3
119.03381	2.3
128.03511	1.3
137.37468	0.7
142.06493	1.4
143.03496	1.0
159.09164	1.5
161.04495	3.2
162.83760	1.3
165.12746	2.6
171.10147	0.9
201.10243	2.9
203.08202	27.2
204.08521	2.2
217.00372	1.0
222.09178	9.7
223.09492	1.0
228.86026	0.8
235.17014	0.8
245.09277	100.0
246.09576	6.4
295.42358	0.8
351.13538	6.1
371.22650	4.4
374.23499	0.8
397.22116	4.5
415.23495	3.9
458.26123	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.9
61.98682	0.4
63.64965	0.3
68.02409	0.6
78.63706	0.4
93.01936	9.2
100.35661	0.3
121.02741	0.5
126.99453	41.1
127.99773	1.0
135.04134	2.5
145.08614	0.4
147.04091	1.8
148.03824	0.5
148.04979	0.5
149.03336	19.2
150.03696	0.7
159.04149	3.6
163.09801	0.9
174.99103	0.4
176.04385	1.6
178.09746	0.9
191.09274	0.9
206.10367	2.1
215.10481	1.6
217.00272	2.0
218.10435	4.7
233.11516	100.0
234.11816	5.7
272.10358	0.5
317.17197	2.1
325.18646	0.4
329.17297	3.2
329.23276	0.5
374.99207	0.7
457.17520	3.3
457.30246	0.7
458.18057	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.7
58.02554	0.2
58.02849	4.5
59.01252	5.1
61.98696	0.2
70.02853	5.3
70.97700	0.4
71.01256	1.7
72.00778	0.8
72.04407	1.1
73.02817	1.7
74.02345	26.3
75.02691	0.5
76.38424	0.2
82.82599	0.1
83.01257	0.6
84.04420	6.6
85.02828	0.5
86.47792	0.1
89.02314	0.5
93.03326	1.5
98.02352	6.4
101.02322	1.8
113.02321	0.6
116.03429	11.1
116.04938	12.8
117.03785	0.3
117.05276	0.7
119.03379	0.2
128.71992	0.2
130.06544	0.8
142.06525	1.4
146.06013	0.8
159.09177	1.7
161.04489	0.3
169.66968	0.2
183.09212	0.5
186.05511	0.3
199.08682	0.6
201.10271	3.5
202.10561	0.2
203.08197	28.6
204.08517	1.4
217.00067	0.2
222.09192	22.0
223.09547	2.3
242.63739	0.2
245.09280	100.0
246.09607	7.7
294.77988	0.2
307.14554	0.2
351.13498	7.7
352.13885	0.8
425.48865	0.2
457.17712	2.9
458.17746	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	14.2
59.01255	7.5
69.61806	3.9
69.62237	3.6
71.01254	5.8
73.02838	1.1
76.43748	0.9
78.95773	7.9
85.02824	2.7
89.02338	1.8
93.03329	1.2
95.04912	1.6
96.95885	1.0
96.96854	2.4
98.02364	1.8
99.08040	82.1
100.08377	2.4
101.02319	2.8
101.05945	1.2
105.03301	1.0
113.02331	2.8
113.03496	1.6
115.00255	1.1
121.02767	1.0
123.04410	100.0
124.04767	2.5
125.02473	0.9
127.07547	71.3
128.07866	1.6
129.05469	73.5
130.05794	1.6
130.08621	4.1
131.04468	1.0
136.82378	0.9
138.03093	2.1
143.07030	1.0
147.04549	1.2
152.99518	3.2
153.05487	40.3
154.05823	2.1
161.04532	7.7
164.75702	1.0
171.06548	19.1
189.07605	2.2
211.13315	2.7
217.00383	1.1
227.23137	1.0
253.08546	1.2
253.14032	1.0
265.08725	1.3
277.08755	2.0
285.09842	11.5
422.23071	2.2
440.20520	2.0
457.17163	17.6
457.23553	1.5
457.25601	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90054	3.4
57.03326	11.5
59.01252	46.2
68.42705	3.2
70.51226	4.8
70.51574	13.5
71.01264	17.0
77.95676	3.5
78.95789	19.8
79.71085	3.6
85.02829	7.3
89.02310	4.8
96.31744	3.1
96.95885	4.8
96.96877	7.5
99.08034	47.3
101.02293	5.1
113.02375	4.1
123.04418	100.0
124.04722	4.2
127.07533	63.3
128.03406	4.0
129.05492	18.9
130.08687	7.2
131.04623	4.9
135.99164	3.8
152.99503	10.9
153.05479	39.4
161.04460	6.3
171.06525	11.9
171.13771	4.7
200.90558	3.9
211.13373	21.0
285.09973	10.0
421.31674	3.9
440.20563	6.2
457.16461	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	457.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	5.3
67.06956	0.5
71.01254	3.1
71.57454	0.5
71.57850	0.7
72.99181	10.6
74.02348	0.7
75.00746	7.4
78.95774	15.1
79.56872	0.5
83.60133	0.5
85.02832	1.1
89.02322	4.8
93.97908	0.5
94.17802	0.5
96.95896	1.0
96.96812	0.8
101.02313	2.7
111.00747	0.8
113.02341	1.5
117.03347	2.0
119.03405	1.6
123.04412	0.6
132.02057	3.1
133.02861	16.9
133.04961	54.5
134.03209	0.7
134.05295	1.7
135.04417	14.6
136.04739	1.1
152.99496	3.8
160.01569	7.0
161.02347	100.0
162.02719	4.0
171.00560	2.5
173.00940	0.7
179.03412	15.6
180.03761	1.2
193.32076	0.6
229.14375	1.9
295.10522	10.2
296.10751	1.2
323.07703	81.6
324.08099	6.2
341.08749	12.1
425.17648	3.1
456.20065	0.7
457.13477	13.6
457.20099	5.1
458.13995	1.3
458.20663	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06223	0.8
57.03323	12.5
59.01263	5.1
71.01244	4.8
71.58038	1.4
73.02824	1.7
77.48156	0.8
78.95776	3.6
79.04685	0.8
83.04882	1.0
85.02819	1.4
89.02325	1.3
95.04910	1.6
99.08040	66.7
100.08395	1.4
101.02300	2.5
113.02352	1.9
123.04414	100.0
123.12183	0.8
124.04727	3.1
127.07547	74.7
128.07869	2.1
129.05475	55.5
130.05807	1.4
131.04492	2.7
138.03098	1.8
138.31732	0.8
152.99434	2.8
153.05489	45.3
154.05775	1.2
158.63052	0.8
161.04500	7.8
171.06569	19.0
189.07584	3.5
211.13350	4.3
229.14491	1.2
273.60526	0.8
285.09787	13.2
295.09680	0.9
439.16202	1.2
457.17099	12.2
458.17496	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.7
59.01236	3.8
69.80223	1.6
69.80631	2.9
71.01254	1.7
72.99174	10.1
75.00751	6.3
78.94505	0.7
85.02821	2.0
89.02312	2.2
96.95869	4.5
111.00750	3.7
113.02357	1.2
115.03857	0.9
117.03340	2.3
119.03365	1.4
125.02347	1.2
132.02072	2.9
133.02844	14.7
133.04958	55.3
134.05290	1.0
135.04419	44.5
136.04765	2.1
145.02924	0.7
160.01529	5.0
161.02345	93.2
162.02676	4.4
173.00851	2.0
179.03412	39.8
180.03726	2.3
193.04997	0.8
286.21805	0.8
295.10687	4.6
297.09955	1.0
323.07700	100.0
324.08115	7.0
341.08728	16.7
342.09128	1.1
399.80698	0.8
457.13446	17.4
458.13870	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00452	1.4
59.01250	37.4
63.98661	1.3
70.03207	8.0
71.01256	21.8
72.99178	4.4
75.00751	1.8
85.02814	7.3
89.02312	34.3
90.94351	1.4
95.01278	1.8
97.75150	1.5
101.02335	16.2
111.00785	2.3
113.02339	10.0
117.03372	2.1
119.03398	14.6
126.96486	1.8
128.64381	1.5
133.02870	2.4
133.04970	15.9
135.04416	6.3
143.03357	2.1
145.02834	5.5
161.02348	9.4
163.03899	4.1
173.00752	2.3
179.03423	6.8
179.05486	2.8
240.47612	1.7
284.46335	1.9
295.10370	100.0
296.10632	6.3
323.07458	1.9
325.60553	1.8
457.13641	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	457.135
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00460	2.2
59.01249	55.1
69.53085	1.6
70.99157	3.1
71.00886	2.8
71.01255	33.8
72.99182	4.1
73.02845	1.9
83.01246	3.0
85.02834	12.3
87.00748	2.8
89.02316	40.0
95.01316	2.2
96.95910	8.1
101.02318	20.1
107.04916	2.4
107.30573	1.9
109.02800	2.5
111.00755	16.9
113.02316	17.0
113.80141	1.6
115.03890	5.7
117.03349	2.0
119.03391	15.3
121.02824	3.1
129.30260	1.8
133.02835	2.8
133.04958	2.5
135.04422	5.3
154.99786	2.0
161.02368	5.0
173.00792	6.4
179.03421	12.4
179.04831	1.6
179.05618	3.0
181.91182	1.7
205.08606	6.4
233.08113	3.5
295.10345	100.0
296.10666	7.6
397.97620	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	456.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51197	0.7
57.03341	1.4
59.01249	6.1
62.21424	0.8
63.98209	0.8
64.55049	0.7
69.36114	7.4
70.77493	0.9
71.01247	3.9
78.95780	33.8
80.02560	2.0
81.03336	1.2
82.04617	0.9
83.04904	7.8
84.02064	0.9
89.02321	3.5
95.04939	0.9
98.20569	1.5
99.04416	1.4
101.02318	2.2
103.73862	0.8
104.33728	0.7
116.70538	0.8
117.03384	0.8
119.03379	2.2
119.04913	1.2
125.02322	1.3
125.05988	0.9
128.03487	0.9
135.08061	1.1
140.01076	8.9
145.02853	3.2
146.03255	1.7
151.78162	0.9
152.99551	3.7
163.03860	1.0
163.11191	6.5
165.12746	3.8
181.12320	1.3
191.10670	1.4
196.03717	10.9
209.11775	100.0
210.12177	5.8
214.04764	2.0
227.12865	19.6
228.13062	1.5
229.14421	4.5
231.10237	1.5
232.10562	2.5
295.09714	2.6
297.22443	0.8
309.12000	2.4
310.12430	3.8
407.09610	0.9
424.17422	25.0
425.17746	1.4
456.20102	33.3
457.19501	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	456.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41606	1.3
58.02846	5.3
58.22809	1.2
70.69701	4.0
74.02341	5.5
80.69516	1.4
86.02374	3.4
87.05529	3.4
99.05537	5.5
109.03988	1.6
127.05027	2.6
128.03432	16.4
135.05562	1.6
141.06610	2.0
143.04544	25.7
143.05667	2.0
146.04532	2.6
160.00700	9.0
167.04524	2.9
177.03282	2.8
177.70375	1.5
179.04567	5.4
189.85570	1.5
194.21829	1.9
210.08812	5.9
254.07794	10.5
272.08963	18.3
288.06540	5.7
306.07684	100.0
307.07816	4.9
467.59409	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	456.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89672	0.5
52.20795	0.5
56.42934	0.5
59.01270	1.2
63.15463	0.5
70.24895	2.5
78.95776	11.0
80.02596	1.5
81.03374	1.9
83.01207	0.6
83.04894	6.9
84.02078	1.8
89.02325	0.8
91.57277	0.5
95.04899	1.0
96.96814	0.6
101.02339	0.6
125.05962	0.9
135.08066	1.2
140.01085	2.9
152.99547	2.0
163.11212	4.9
165.12802	3.4
169.12253	0.5
171.10239	0.6
171.25787	0.6
181.12228	0.7
185.11816	0.9
191.10762	1.2
196.03773	1.3
209.11778	100.0
210.12126	6.0
211.13249	1.7
214.04788	3.9
227.12851	30.8
228.13142	1.5
229.14357	2.5
231.15956	6.0
259.15579	1.2
279.88229	0.5
424.17444	6.8
431.69061	0.6
456.19754	21.6
457.19025	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	455.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	5.7
64.53655	4.3
64.58247	4.3
66.22385	4.5
66.93073	4.8
68.27748	4.6
70.49179	5.4
70.64091	15.5
75.07291	4.8
78.95773	29.7
82.99570	4.6
96.95868	5.0
100.99479	5.1
108.28233	4.8
109.02855	6.9
152.99498	6.9
153.12759	13.5
163.11229	8.5
165.12762	22.1
179.10728	6.3
181.12270	100.0
182.12531	7.4
197.11725	9.4
199.13362	41.0
215.12857	16.1
227.20085	9.3
329.13910	11.2
363.25418	42.3
455.30496	11.1
455.35388	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	5.7
64.53655	4.3
64.58247	4.3
66.22385	4.5
66.93073	4.8
68.27748	4.6
70.49179	5.4
70.64091	15.5
75.07291	4.8
78.95773	29.7
82.99570	4.6
96.95868	5.0
100.99479	5.1
108.28233	4.8
109.02855	6.9
152.99498	6.9
153.12759	13.5
163.11229	8.5
165.12762	22.1
179.10728	6.3
181.12270	100.0
182.12531	7.4
197.11725	9.4
199.13362	41.0
215.12857	16.1
227.20085	9.3
329.13910	11.2
363.25418	42.3
455.30496	11.1
455.35388	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3527
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
55.80270	0.5
70.80783	1.5
72.05693	0.5
78.09582	0.5
115.14667	0.5
116.85030	0.5
126.99467	0.6
136.08961	0.6
189.44479	0.6
190.47792	0.7
219.54698	0.5
249.36905	0.6
437.34338	0.9
455.35294	100.0
456.35608	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	455.2654
Annotation	Dendronpholide L
Peak:m/z	Relative Intensity
51.49074	1.0
57.03312	1.6
59.01252	39.2
61.55229	1.0
61.98705	1.2
69.98075	5.7
71.01255	21.8
72.99173	2.5
76.38686	1.1
78.95805	1.0
83.01260	2.6
85.02832	7.2
87.00749	1.6
89.02317	19.7
95.01257	1.9
96.95880	1.8
99.00732	1.7
101.01692	1.2
101.02330	14.7
102.64520	1.0
113.02316	7.3
119.03394	5.9
142.35054	1.0
144.37906	1.0
154.56125	1.0
165.89461	1.1
171.10196	12.0
197.12041	1.1
209.11887	6.2
209.13460	1.2
223.13351	1.5
227.12910	2.7
233.11427	1.0
267.14252	1.4
275.20081	6.4
276.81949	1.5
277.21576	1.2
293.21219	25.7
294.21594	2.3
455.26492	100.0
456.26965	17.6
461.44379	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.3
63.96104	10.3
64.21829	1.2
65.03822	2.7
65.17594	1.3
68.02408	100.0
68.04105	1.2
68.99683	5.2
69.02110	2.3
69.02759	4.3
70.93184	3.3
77.57063	1.3
79.95607	3.5
81.03327	7.5
91.05421	5.9
93.03327	3.4
95.01266	12.1
95.04875	7.3
96.79153	1.2
102.73074	1.3
106.04142	2.1
107.04917	15.2
108.02061	2.5
109.02856	5.9
119.04897	14.0
121.02843	3.9
121.06451	9.2
122.03614	5.7
123.04375	2.9
124.97876	3.8
125.02309	2.3
126.97572	3.2
126.99428	3.6
127.99755	1.4
128.99161	2.8
133.06537	5.6
135.04410	93.7
136.04869	2.5
137.05997	25.0
138.06308	1.5
143.08911	1.6
147.04411	14.4
150.03171	3.7
150.06737	5.4
151.02127	2.3
160.95573	17.3
161.95880	7.3
162.95274	67.8
163.03920	5.4
163.95631	12.7
164.02943	1.7
164.94969	18.5
175.07933	1.3
179.01611	4.1
180.02432	9.0
181.03156	2.3
182.05824	6.4
212.01445	14.3
261.18542	1.8
275.14658	1.8
288.68460	1.4
292.06799	2.1
293.15726	4.4
294.16559	28.7
295.16910	3.5
326.15536	74.6
327.15848	6.5
342.80930	1.4
360.55865	1.5
455.26282	4.2
455.35452	23.0
456.36011	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	455.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08688	0.3
54.14505	0.3
59.01258	0.6
63.29284	0.4
71.01241	0.9
71.13013	0.9
75.32050	0.4
78.95778	7.7
83.04874	0.4
85.93500	0.4
87.55245	0.3
87.84150	0.3
95.95905	0.4
96.96820	0.6
109.06460	1.4
152.99489	16.2
162.83813	0.5
163.11214	0.9
171.00536	1.1
207.10181	2.1
211.13370	1.5
225.11391	0.6
227.03244	3.5
227.20117	100.0
228.20473	6.9
245.04335	1.4
277.18082	0.6
295.19064	0.6
297.15335	1.2
455.24133	25.8
456.24356	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	455.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38636	0.3
59.43563	0.4
68.41896	0.4
71.58126	0.5
73.01481	0.3
78.95779	20.1
96.96837	2.1
117.03280	0.5
121.02837	0.4
145.02820	0.9
150.97949	0.4
152.99495	30.3
153.99959	0.4
171.00552	1.6
175.23518	0.3
221.80638	0.4
227.03215	4.8
227.20128	100.0
228.20502	5.2
245.04358	1.0
363.19348	1.1
401.02747	0.4
455.24170	40.7
455.35080	1.3
456.24597	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	455.2651
Annotation	Klyxumine A
Peak:m/z	Relative Intensity
52.13472	0.1
54.07536	0.2
55.01757	1.1
55.17291	0.2
57.03320	1.0
58.00463	0.7
59.01250	100.0
60.01578	1.1
60.24262	0.2
61.98699	1.7
69.96210	0.6
69.96613	0.4
71.01252	15.6
72.01611	0.3
72.99186	0.7
73.02818	4.7
75.00751	0.3
81.03351	0.2
83.01259	2.1
85.02824	5.9
85.99970	0.2
87.00758	1.0
87.04395	1.1
89.02316	6.8
93.03350	0.4
95.01292	0.7
97.02837	0.3
98.20632	0.2
99.00761	1.6
99.04436	0.2
99.87576	0.2
101.02323	11.0
101.05994	1.4
102.02668	0.2
102.17053	0.2
111.00799	0.2
112.01601	0.3
113.02328	6.2
119.03384	3.3
119.04232	0.2
125.02335	0.4
131.03430	0.3
143.03423	1.1
149.04469	0.4
159.02861	0.9
161.04460	6.2
171.10240	0.7
179.05560	1.4
189.56703	0.2
209.11894	0.5
227.12924	0.2
293.21173	0.4
294.72784	0.2
395.24448	0.7
413.25439	6.2
414.25723	0.8
437.25296	0.2
455.14120	0.2
455.26758	0.4
455.35840	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95308	1.2
78.95774	21.5
94.62246	0.5
96.96836	1.9
107.20055	0.5
127.53169	0.5
128.65662	0.6
138.19705	0.5
147.91263	0.5
150.97943	0.7
152.99489	32.1
162.78770	0.5
165.12796	0.7
171.00565	1.1
181.12256	2.4
199.13184	0.9
227.03242	4.5
227.20128	100.0
228.20482	5.7
229.42731	0.7
245.04361	1.7
293.21384	1.4
363.25641	0.8
381.26486	2.3
386.61551	0.6
455.24149	40.7
455.34097	3.9
456.18854	0.6
456.24280	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	455.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00879	0.4
52.47345	0.4
68.55547	0.4
69.31103	0.4
70.07814	2.3
77.03929	0.5
78.95776	18.7
96.96838	1.8
117.03338	0.7
118.44786	0.5
145.02811	0.8
150.97911	0.5
152.99490	28.8
168.37863	0.5
171.00563	1.1
171.18736	0.4
205.12453	0.4
227.03247	5.4
227.20120	100.0
228.20464	5.9
245.04228	0.7
245.61948	0.5
363.19501	0.5
455.24167	43.6
455.34744	1.3
456.24524	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	455.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98065	0.8
55.40572	0.7
56.88888	0.8
57.03323	9.4
59.01253	100.0
60.01605	0.8
61.93344	0.7
66.13044	0.6
70.08262	3.4
71.01258	8.0
73.02823	1.1
78.95773	4.3
83.01272	0.8
83.04913	1.4
85.02856	2.3
89.02316	4.6
95.04903	1.5
96.96879	1.1
99.04410	7.5
101.02316	5.7
107.04948	0.7
109.00914	0.6
113.02351	2.1
114.97031	0.7
119.03424	2.4
125.02356	2.3
125.09600	1.0
137.09557	0.7
143.03539	1.1
152.99529	2.2
161.04436	4.3
209.11650	1.1
215.14502	0.9
218.13130	1.6
233.15443	14.6
234.15858	1.4
269.07187	1.0
270.81049	0.7
287.15979	0.8
311.15103	1.5
427.40021	0.7
455.16708	1.6
455.35535	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	455.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05909	0.5
59.01238	1.2
61.98673	0.5
64.77321	0.6
68.02400	0.5
71.56966	0.5
71.57351	0.5
78.95773	17.4
79.95637	0.5
80.66273	0.5
83.04919	0.5
96.96858	1.0
104.89030	0.5
126.94077	0.5
126.99503	0.5
150.97972	0.6
152.99487	31.5
153.12781	0.8
165.09053	0.6
165.12790	1.2
166.09741	0.5
171.00543	1.3
181.12253	9.3
183.01117	0.6
199.13295	3.6
209.11801	1.3
227.03256	4.0
227.20108	100.0
228.20419	6.9
245.04254	0.9
293.28403	0.5
297.15344	2.0
325.18262	0.6
363.19260	1.0
363.25354	2.0
375.58157	0.5
455.24136	45.1
455.34836	1.8
456.24539	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	455.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59530	0.3
54.45015	0.3
55.01763	1.7
55.84041	0.3
57.03316	1.3
58.00463	0.9
59.01251	100.0
60.01581	1.0
69.03342	0.9
69.24465	0.5
69.24866	3.5
71.01253	29.1
71.04883	0.5
72.99186	1.5
73.02818	25.3
75.00749	0.8
83.01257	7.6
85.02823	8.2
87.00762	1.3
89.02319	7.9
93.03388	0.6
95.01238	1.8
95.04919	0.6
97.02826	0.4
99.00748	1.6
101.02320	25.3
101.05994	0.4
102.02681	0.7
109.02854	0.6
111.00716	0.3
111.01913	0.8
113.02328	12.7
113.09592	0.5
119.03384	2.8
120.48820	0.3
121.10110	1.3
125.02360	0.9
126.03728	0.4
127.07542	0.4
131.03381	1.5
135.04428	1.1
135.08069	0.6
137.42206	0.3
141.01811	0.4
141.09155	2.8
143.03394	1.3
146.08142	0.4
149.04472	1.1
155.03435	0.6
159.02879	0.4
161.04460	3.9
162.04945	0.4
163.11267	0.8
176.13889	0.3
179.05559	0.6
205.15985	1.2
215.14301	2.0
223.09087	0.4
233.11682	1.3
233.15416	36.7
234.15736	3.5
235.16980	0.3
251.16504	1.4
323.16180	0.5
363.17270	0.4
377.19647	1.2
395.20737	8.0
395.25568	0.6
396.21130	1.3
413.21829	8.0
414.22421	1.0
455.22812	1.1
456.22003	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.8
57.03314	0.9
58.00469	1.0
58.61495	0.3
59.01250	100.0
60.01588	1.3
61.98709	0.7
62.48177	0.3
69.03333	1.3
69.53254	2.6
71.01252	30.3
71.04880	0.5
72.01604	0.5
72.99183	1.5
73.02817	26.1
74.03167	0.6
75.00753	1.1
78.95790	0.4
81.03326	0.4
83.01251	7.5
85.02822	6.1
87.00739	0.7
89.02319	8.3
93.03310	0.5
95.01253	2.1
96.95893	1.1
97.02873	0.5
99.00766	1.1
101.02322	26.2
102.02676	0.7
109.02887	0.5
111.00750	0.4
111.01900	0.5
113.02326	16.2
114.02638	0.3
119.03387	2.8
121.10097	2.0
123.15398	0.3
125.02357	1.2
128.55785	0.3
130.08621	0.4
130.24413	0.3
131.03391	2.3
143.03418	2.3
149.04451	2.2
152.99477	0.5
155.03400	0.7
161.04478	5.4
163.11351	0.3
165.12791	0.5
174.01588	0.5
179.05563	0.4
183.13857	1.1
203.05537	0.5
209.03004	0.4
227.13049	0.5
233.15421	3.4
234.15839	0.4
399.17010	0.3
455.16965	0.6
455.35406	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70058	3.1
59.01255	14.9
71.01265	12.5
71.38201	6.6
78.95782	48.4
82.05956	3.0
83.04904	11.5
85.02792	4.2
89.02328	11.8
94.64191	2.9
96.95867	5.4
96.96843	16.8
101.02329	8.4
113.02377	6.1
113.03425	3.3
119.03414	3.7
119.04916	4.9
140.01122	5.3
145.02867	20.9
148.50978	3.0
152.99519	12.0
163.03946	5.3
163.11218	5.9
165.12819	6.7
196.03741	3.5
209.11765	100.0
227.12798	28.7
231.10251	10.8
231.15930	3.5
243.08815	6.3
264.90823	3.3
309.11942	11.8
314.03842	3.7
357.08932	8.0
376.95352	3.2
424.17422	7.8
455.17392	4.9
455.25003	5.0
455.34906	3.6
456.19785	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	455.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87553	0.8
68.22841	0.8
69.67689	4.3
71.01256	7.0
84.71634	0.7
85.81782	0.7
88.38267	0.7
93.22080	0.7
96.89294	0.7
99.00736	1.0
99.92458	26.1
100.92616	1.0
100.93221	4.1
110.07899	0.9
115.91962	100.0
116.92010	4.2
116.92744	64.4
116.93395	1.0
116.93620	1.4
117.92776	1.8
132.92262	0.9
144.30841	0.7
172.95390	46.1
173.95479	2.7
186.93378	0.9
281.24817	2.9
381.17368	1.4
397.16870	1.8
455.21143	5.8
478.47476	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97210	2.2
55.01752	4.6
57.03310	6.1
59.01248	73.5
61.98713	3.3
69.64287	13.0
71.01253	45.1
72.45950	2.2
72.99188	5.2
73.02806	21.0
75.00782	2.8
76.21529	2.2
77.42416	2.0
78.95773	3.9
83.01246	18.0
85.02823	34.0
85.06443	3.7
87.00733	2.7
89.02307	7.6
93.03336	3.0
95.02390	2.3
96.95895	3.3
96.96868	2.1
98.10358	2.4
98.20557	2.6
99.00742	10.5
101.02321	57.5
106.03938	2.1
111.00761	6.2
112.93609	2.7
113.02348	19.1
115.64539	2.5
119.04912	18.8
122.06007	2.3
123.32066	2.6
125.02330	3.7
128.03412	4.7
129.01843	4.8
129.05472	21.4
130.81956	2.1
135.63341	2.3
137.70799	2.0
139.11156	2.1
139.32465	2.4
139.82233	2.1
145.01418	2.1
152.07104	4.0
152.99469	2.7
159.02867	6.1
161.04483	14.0
163.03955	21.5
164.01704	4.5
164.04211	2.2
249.13417	83.8
250.13876	3.7
357.21268	2.5
395.19226	100.0
396.19589	13.1
455.16159	3.2
456.17523	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	453.226
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96304	0.8
69.93297	3.1
78.95776	68.4
83.14345	0.7
96.96838	5.0
111.13718	0.6
121.05113	0.6
150.97919	1.3
152.99492	100.0
153.99850	1.2
171.00548	16.0
177.98416	0.6
199.77670	0.6
203.01819	0.6
225.18559	55.8
226.18912	5.4
227.03252	10.3
245.04291	73.5
246.04636	3.0
288.00015	0.9
311.16846	1.4
435.30939	0.7
453.22595	93.7
454.22983	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	455.0976
Annotation	Riboflavin monophosphate
Peak:m/z	Relative Intensity
59.01260	1.0
70.70704	1.5
71.01242	1.1
78.68018	0.5
78.95781	80.4
79.38670	0.5
82.04221	0.6
84.96378	0.5
87.00753	0.5
89.36892	0.6
89.54916	0.5
96.96846	100.0
128.03427	0.5
138.97926	4.3
152.44107	0.7
198.06694	1.6
199.00089	9.7
212.08261	4.1
213.01633	8.3
241.07353	4.0
243.08980	0.7
255.08818	5.6
392.61691	0.6
455.09732	18.7
456.10016	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.5
55.80044	1.4
57.03323	5.4
58.00451	5.4
59.01250	82.8
69.48341	1.6
69.70660	3.6
69.71058	9.7
71.01254	45.8
71.70840	1.6
72.99168	6.9
74.84052	1.6
78.95785	21.5
83.01261	2.7
84.02063	1.8
85.02822	28.9
85.06485	1.5
87.00746	1.9
87.09525	1.7
89.02313	61.1
93.03333	2.3
95.01257	3.2
96.96867	3.8
99.04374	1.9
101.02313	28.0
111.00706	2.8
113.02338	17.1
117.03337	11.1
119.03395	27.1
119.04226	1.6
119.04906	21.4
120.01135	5.4
133.06467	2.4
135.04424	3.3
143.03392	2.4
145.02858	72.5
146.03192	4.3
152.99443	6.0
161.04535	2.5
161.05963	7.0
163.03912	21.2
177.05594	3.4
191.01964	4.4
205.04948	7.0
209.11758	17.6
210.12111	2.1
227.12860	3.5
231.10213	34.3
232.10550	5.4
235.06131	1.9
265.07184	2.2
291.82047	2.0
293.08725	9.3
309.11893	100.0
310.12158	6.4
312.10907	2.1
331.68030	2.7
357.08890	4.8
357.88647	1.5
366.62793	1.6
381.67245	1.8
411.16150	2.6
455.16736	10.6
456.16681	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	453.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78635	0.7
59.01245	0.9
61.98679	0.9
66.91924	0.8
69.85928	2.0
69.86345	2.0
78.95772	52.1
85.68893	0.8
96.96845	4.0
143.86382	0.7
150.97888	1.3
152.99484	71.3
153.99765	1.0
161.83116	0.7
162.89267	1.6
171.00552	20.7
202.56325	0.7
202.96274	0.7
220.12910	0.8
225.18544	67.6
226.18916	4.2
227.03157	4.6
245.04274	100.0
246.04585	3.2
291.19434	0.8
453.22540	40.7
454.22919	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	453.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	1.4
59.01253	20.6
62.47330	1.0
69.71046	5.0
69.71473	2.7
70.84733	1.1
71.01254	5.1
72.99150	1.5
73.02825	1.5
76.03698	1.0
78.95779	4.7
79.20641	1.1
79.95598	3.8
80.50580	1.2
85.02830	7.1
87.00732	1.6
89.02303	2.0
96.95889	100.0
96.96797	9.2
97.92983	1.7
99.00755	1.5
101.02311	4.6
110.03472	1.8
111.00751	1.5
112.05045	2.5
113.02298	2.3
113.92513	3.6
114.93282	13.5
129.01830	1.1
141.04546	1.2
147.02922	1.2
161.04359	1.7
191.01933	1.7
269.10150	2.0
453.20029	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	0.4
67.35234	0.3
67.59151	0.3
69.78752	1.6
71.01256	0.5
78.95782	100.0
89.02328	0.7
96.95927	0.4
96.96850	0.5
108.05686	0.4
110.89780	0.4
110.98422	90.7
111.98720	0.9
132.39015	0.3
175.59959	0.3
179.05565	0.6
314.82562	0.3
341.10974	0.4
426.04657	0.3
453.10205	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92111	0.4
78.95782	0.6
95.66512	0.5
99.92456	6.2
100.93237	2.1
115.91962	100.0
116.36395	0.5
116.73059	0.5
116.91967	4.2
116.92751	6.6
132.92229	0.7
151.65533	0.5
161.71152	0.6
172.95410	3.9
204.36076	0.5
279.23260	0.8
405.17224	0.9
435.18289	0.8
453.19412	2.4
453.33771	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39268	0.5
67.76043	0.6
71.01255	7.3
71.58089	0.7
99.92457	27.9
100.92534	1.3
100.93243	3.6
101.23000	0.5
112.64187	0.6
115.91962	100.0
116.92008	4.1
116.92742	64.4
117.49165	0.6
117.92722	2.3
132.92252	0.8
142.94321	0.6
144.95863	1.7
148.16043	0.6
154.94290	0.6
172.95390	38.5
173.95457	2.5
244.81329	0.6
251.55472	0.6
255.23260	1.4
256.23596	1.0
279.23224	2.0
379.15930	1.0
435.18100	0.7
453.19531	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	452.2444
Annotation	Terpendole I
Peak:m/z	Relative Intensity
52.66772	0.5
57.48903	0.5
58.02851	23.3
71.58178	0.7
78.95779	1.2
93.85333	0.5
94.64547	0.5
96.95882	0.6
118.85951	0.5
126.10946	0.5
152.99481	1.5
154.99957	0.5
157.06464	0.5
159.89296	0.5
168.13864	9.3
170.03667	0.9
171.04439	0.6
171.10152	0.5
183.04428	4.1
193.06532	0.5
201.05438	1.0
205.06628	1.1
207.04469	1.0
208.05199	1.4
211.03970	2.8
212.12886	1.0
221.06068	4.8
222.06757	3.2
223.07355	0.6
227.07100	0.7
233.05949	0.9
234.06947	0.5
235.03966	1.0
235.07529	1.0
237.09094	0.6
239.07179	1.2
249.05568	9.5
250.06300	9.8
256.07303	2.6
265.08694	31.2
266.08817	2.7
268.07468	1.7
271.09738	4.4
282.05310	0.8
283.09760	89.5
284.09692	8.5
285.09457	0.6
392.16861	0.6
437.22107	1.4
452.24417	100.0
453.24716	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	452.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43786	0.5
71.34890	1.0
73.12505	0.4
73.88835	0.5
78.88580	0.5
78.95777	20.8
96.96844	1.1
133.81903	0.4
140.01079	1.7
152.99464	2.4
171.00575	3.2
196.03790	1.0
202.67615	0.5
214.04811	2.1
255.23280	100.0
256.23639	7.0
298.74173	0.5
348.43057	0.5
452.27838	14.4
453.28107	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.278
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
53.50072	0.1
62.96268	0.2
64.46162	0.2
68.02406	1.3
69.28465	0.3
69.28866	1.5
78.95773	17.7
90.47896	0.2
98.20554	0.3
103.90302	0.1
104.97302	0.2
122.00010	0.6
122.38503	0.2
122.98449	0.2
126.99451	0.5
134.98441	0.2
140.01079	5.0
152.99506	1.7
153.85851	0.1
160.95512	0.2
196.03732	9.7
197.04027	0.2
214.04837	2.1
228.13474	1.1
237.22198	0.4
255.23260	100.0
256.23602	9.5
452.27802	24.2
453.28104	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	451.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	2.2
70.92712	5.7
71.44215	1.6
75.66635	1.5
78.95782	2.5
79.12809	1.6
89.02338	2.5
120.49141	1.8
128.45387	1.9
139.89671	1.7
152.99518	1.6
154.88263	1.4
218.85435	1.7
223.20695	3.2
225.22208	35.7
226.22568	3.0
255.23230	2.1
271.22806	100.0
272.23169	6.6
281.24792	4.3
282.25153	4.6
283.25580	10.1
338.36548	1.6
449.12827	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	451.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39062	0.1
58.02838	0.4
59.01238	0.2
64.88510	0.1
69.49271	1.0
70.02840	0.1
71.01251	0.2
72.04416	0.1
75.67195	0.1
80.04935	0.4
81.03329	10.2
82.03652	0.2
83.04894	30.0
84.05217	0.8
85.02799	0.2
89.02318	0.2
100.07548	0.3
107.06037	1.0
108.04434	1.2
111.00754	0.2
125.07093	3.2
126.05480	0.7
126.07503	0.1
143.08145	1.8
157.13374	0.2
166.12323	0.1
207.14963	3.8
208.13371	0.3
208.15349	0.3
224.15385	0.2
224.17627	4.7
225.16028	12.2
226.16301	0.6
242.18701	1.7
243.19087	0.1
250.15581	0.3
268.16656	0.4
268.94003	0.1
288.91864	0.1
290.22394	0.3
306.21960	0.2
307.23950	0.3
309.21872	0.5
324.22839	0.2
324.26556	2.3
333.22952	4.2
334.23239	0.4
339.27774	0.2
341.29379	0.2
351.24020	1.3
367.27084	1.2
385.28091	0.4
433.31833	5.9
434.32224	0.8
451.32877	100.0
452.33212	13.4
452.39929	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98089	4.0
54.83288	4.0
59.01242	5.7
65.42429	4.0
71.01257	5.7
71.07135	4.8
71.07477	9.5
78.95773	20.5
79.31533	4.8
82.58939	3.9
86.50376	5.0
94.36664	4.1
99.92445	14.7
115.91969	73.6
116.92761	52.5
152.99495	10.4
172.95384	30.7
195.00548	10.9
232.38042	4.3
255.23282	100.0
280.23541	7.3
281.23920	9.1
375.97327	5.4
451.18875	8.5
451.24139	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	451.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59992	0.9
56.59069	1.2
58.81442	1.0
69.81543	0.8
70.07964	3.1
78.95786	5.3
91.28430	1.0
99.92476	7.5
100.93288	1.9
111.73056	1.2
115.91964	100.0
116.91975	3.5
116.92756	7.3
132.92247	1.2
152.99460	2.1
172.95410	4.5
195.00533	2.6
201.44058	1.2
255.23260	32.2
256.23615	1.6
353.11334	1.0
370.04092	1.1
451.18246	1.8
451.24643	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	451.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26669	1.0
52.68620	1.2
55.01748	2.7
55.51180	0.9
56.24881	1.1
57.03307	4.1
58.00461	4.8
59.01250	98.0
66.67020	0.9
71.01251	91.2
71.57353	1.4
72.01598	1.7
72.99170	7.7
73.02819	18.2
75.00751	1.0
83.01248	7.2
83.97131	1.0
85.02824	27.0
87.00767	5.6
87.04391	3.1
89.02316	91.0
90.02622	1.5
95.01259	7.6
99.00755	3.2
101.02319	54.5
102.02639	1.1
103.03889	3.9
110.57457	1.1
111.00746	4.4
112.01110	1.1
113.02332	31.6
114.02663	1.2
119.03387	43.2
120.03716	1.6
127.61337	1.2
129.01947	1.0
131.03378	3.6
143.03397	9.0
147.11684	2.8
149.04416	3.7
161.03200	1.3
161.04482	14.0
169.12222	1.0
172.28194	1.0
179.05524	26.0
180.05788	1.1
184.06065	3.5
201.14790	1.6
225.93034	1.1
229.14427	10.0
234.07999	1.1
262.99518	1.0
283.76331	1.1
289.20206	33.9
290.20465	2.6
343.64893	1.0
384.68314	0.9
451.25446	100.0
452.25677	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	33.0
61.98693	16.7
70.10569	16.2
71.37289	35.4
75.00742	19.7
80.65777	17.4
81.07793	18.1
85.02830	24.6
111.00743	26.5
118.82002	16.3
146.08073	39.3
147.06519	100.0
217.11894	23.6
309.11206	79.0
316.27890	19.1
362.16339	18.6
451.21954	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64059	3.3
59.01251	14.7
69.49595	11.4
69.50024	13.7
71.01260	5.2
72.99184	20.4
75.00745	5.3
75.20909	4.4
80.02877	4.4
83.01259	4.1
85.02810	22.6
89.02335	4.6
95.88049	3.2
96.95897	12.4
101.02319	6.1
111.00759	100.0
117.03330	5.8
129.01816	6.1
143.15678	3.6
143.42567	3.2
147.04388	4.8
147.06516	45.3
154.99762	13.6
173.00812	38.5
174.05513	6.6
188.07216	4.2
191.01825	7.2
215.08070	4.3
259.00558	3.4
259.07376	4.8
277.08215	16.6
292.08609	3.9
384.49716	3.6
451.13620	5.9
451.21854	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	451.1741
Annotation	Ligulacephalin B
Peak:m/z	Relative Intensity
57.05937	1.7
57.39885	1.7
59.01253	13.7
69.03306	2.2
71.01276	4.0
71.28892	4.7
74.92340	1.8
78.95781	19.6
89.02316	2.5
96.95914	1.8
101.02319	3.2
131.04910	3.8
149.05888	2.0
152.99500	20.7
167.10738	3.3
171.00563	2.9
179.14313	5.0
195.13811	15.3
203.71564	2.1
205.12366	10.7
213.11610	1.8
215.16496	58.9
223.13350	100.0
224.13728	7.7
227.16441	2.6
240.07283	3.5
253.09183	7.1
255.06085	2.3
257.07114	2.1
301.09940	3.4
323.82394	1.9
388.12875	2.1
389.13135	11.6
450.06808	2.1
451.17065	42.0
452.17587	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	450.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72146	0.8
65.24341	0.7
65.37617	0.7
70.18736	3.6
78.95779	24.3
83.69830	0.8
95.72686	0.7
110.67292	0.7
140.01039	2.2
152.99489	7.8
171.00566	2.9
208.55742	0.7
208.84016	0.7
214.04733	1.9
253.21722	100.0
254.22130	6.7
268.36765	0.8
336.38239	0.9
450.26309	12.1
451.26715	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	450.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
69.49464	0.3
69.54571	1.9
75.72057	0.2
78.95776	20.2
112.18728	0.3
121.99988	0.7
140.01080	4.7
152.99504	3.2
171.00522	0.3
183.34613	0.3
190.56012	0.3
196.03735	9.6
196.05557	0.5
204.34622	0.3
214.04802	1.9
253.21706	100.0
254.19394	0.3
254.22050	7.2
391.18097	0.8
450.26236	21.5
451.26553	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00956	0.4
59.01236	1.7
71.01270	0.5
78.95779	17.7
83.04897	0.7
108.85986	0.5
121.99954	0.7
124.49920	0.4
140.01085	3.8
152.99489	4.3
171.00581	0.8
196.03737	7.8
197.03896	0.5
214.04803	2.5
235.20657	1.4
253.21712	100.0
254.22049	7.1
354.10004	0.8
391.18140	0.7
450.26297	15.6
451.26678	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	450.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57940	0.4
53.37751	0.3
59.01231	0.7
60.25528	0.4
69.60286	1.6
69.60721	1.4
75.49448	0.4
77.95143	0.4
78.95777	18.7
85.01972	0.4
106.45499	0.3
121.99992	0.7
134.98416	0.4
140.01096	4.5
152.99474	2.1
171.64224	0.4
196.03737	10.4
200.46048	0.4
202.95695	0.4
214.04796	2.0
235.20613	1.0
253.21709	100.0
254.22081	7.3
447.30890	0.5
450.26294	20.4
451.26471	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	450.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38569	0.8
57.80442	0.6
59.01260	3.4
71.01257	0.9
78.95777	26.7
86.61926	0.6
96.96815	0.7
98.19800	1.9
99.21465	0.7
114.96991	0.5
121.99997	1.3
134.03679	0.7
135.04385	0.8
138.83873	0.6
140.01094	8.7
147.88809	0.6
152.99513	6.0
166.02592	0.9
171.10167	2.3
196.03763	15.0
199.69839	0.6
209.11804	1.8
214.04808	2.7
220.76711	0.6
223.13538	0.7
223.16978	14.4
224.17232	1.0
235.14662	1.1
235.17014	23.6
236.17319	1.9
240.07384	0.8
253.18074	100.0
254.18422	7.0
358.11722	1.0
388.12741	1.4
450.22629	39.3
451.22675	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	10.1
69.28541	1.0
69.28881	8.5
71.01263	2.6
72.01572	1.0
73.02824	1.2
77.12193	0.8
78.95782	14.0
81.44041	0.7
83.01270	1.0
83.04928	0.9
85.02827	1.2
89.02324	1.8
89.74507	0.7
101.02333	2.0
113.02342	1.2
139.12488	0.8
140.01117	3.7
140.18060	0.7
142.45186	0.8
147.04434	0.9
152.99496	4.7
155.25423	0.8
157.70467	0.7
196.03729	1.8
214.04800	5.0
223.16997	13.3
224.17339	1.3
235.13435	1.2
235.17004	25.6
236.17361	1.9
253.18077	100.0
254.18440	8.1
317.19754	0.9
418.13708	0.9
450.22690	16.7
451.23187	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	450.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36170	0.5
56.39571	0.5
57.03318	1.6
59.01246	4.3
61.13902	0.5
61.98702	100.0
70.41734	0.6
70.42072	2.1
71.01258	1.4
72.99161	0.8
73.02817	0.8
74.94492	0.5
82.67049	0.5
83.01254	0.8
85.02817	4.6
86.03179	0.7
89.02323	0.9
89.65436	0.6
98.19816	0.6
99.04408	1.1
99.92507	0.6
101.02332	1.5
107.03680	0.6
108.44675	0.5
111.00761	12.9
112.00443	0.6
112.01082	3.3
113.02360	0.8
116.92775	2.1
117.92762	1.2
122.06001	4.4
127.44950	0.7
129.01834	0.8
131.03679	0.7
132.04451	0.7
136.30698	0.6
151.11168	1.5
152.07077	14.3
152.11545	1.1
154.99742	1.5
157.37480	0.7
158.02478	0.7
169.12250	10.3
170.12581	7.3
173.00838	4.8
174.01213	1.2
190.04988	5.7
211.12048	0.5
213.11313	2.2
214.11639	1.8
222.07669	6.1
387.15591	20.3
388.15967	2.1
449.20352	2.8
450.14600	0.4
450.20590	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	449.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	1.1
69.89353	0.6
70.59870	2.1
78.95776	15.1
82.77593	0.6
86.53508	0.7
110.98401	11.6
127.11455	0.5
144.40881	0.6
167.01056	10.1
185.02068	3.2
217.51013	0.6
272.50067	0.6
281.24838	100.0
282.25189	9.4
322.47806	0.7
337.44641	0.6
358.46680	0.6
367.23080	2.4
449.26724	15.8
450.26819	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93063	0.3
58.16951	0.3
59.86136	0.3
63.57097	0.3
70.28304	0.3
70.93638	0.3
70.93968	0.8
75.98318	0.3
78.95783	4.9
84.89871	0.3
110.98415	4.3
152.99455	0.5
167.01083	2.6
180.23541	0.3
184.31728	0.3
185.02142	3.6
281.24850	100.0
282.25232	8.9
382.98770	0.3
449.26740	6.4
450.27191	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2885
Annotation	Chaksine
Peak:m/z	Relative Intensity
56.19097	0.4
56.97937	0.4
59.01253	3.7
63.96124	2.6
69.85248	0.9
69.85658	1.8
71.01247	1.4
77.05407	0.4
78.95766	2.5
79.95605	4.5
85.02830	0.5
89.02303	0.5
96.95892	13.9
96.96828	0.9
101.02333	1.2
112.90434	0.5
119.03421	0.6
126.99454	0.9
152.99518	2.1
183.13837	17.5
184.14211	0.6
195.13846	13.6
196.14275	0.5
211.13452	1.1
213.14914	100.0
214.15236	4.8
223.13103	1.7
224.67313	0.5
233.11752	0.5
235.13075	2.9
267.12180	2.5
269.21228	1.1
279.12213	2.1
309.08075	0.5
321.69659	0.4
372.90543	0.4
447.25372	0.7
449.22205	1.6
449.28476	24.2
450.28659	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	449.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
68.34658	0.3
78.95771	5.0
100.86317	0.4
104.23341	0.3
110.98416	4.5
152.99504	0.8
167.01077	3.4
177.48343	0.4
184.45625	0.3
185.02138	2.9
236.97627	0.3
281.24850	100.0
282.25183	8.0
449.26770	5.8
450.27029	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.1
71.57061	0.7
75.21197	0.4
78.95774	11.5
79.95578	0.5
84.32067	0.4
104.97356	0.6
110.98417	8.3
111.00676	0.5
154.11005	0.4
167.01070	8.2
185.02118	3.3
221.08534	0.9
268.81366	0.4
281.24841	100.0
282.25192	10.7
282.27609	0.3
367.23178	1.4
407.74481	0.4
449.21899	0.5
449.26749	13.9
449.33023	0.8
450.26880	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	449.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07354	0.4
56.65128	0.5
59.01256	6.3
71.01264	3.8
71.57450	0.8
72.99165	0.6
73.02846	0.8
78.95789	1.9
79.34351	0.4
83.01266	0.9
85.02826	1.2
87.00736	0.9
89.02316	3.1
93.03340	1.9
101.02324	4.5
106.04039	0.5
111.04349	0.4
113.02333	1.4
119.03283	0.5
119.04916	0.6
120.05279	0.4
121.02863	1.1
134.03641	0.7
135.04393	1.2
147.79462	0.4
152.99461	1.3
154.97327	0.5
161.04448	2.5
167.14346	0.7
173.04514	0.9
179.05531	1.0
183.13872	2.7
195.13831	7.4
196.14275	0.5
211.13318	0.9
213.14912	100.0
214.15263	5.9
241.05217	0.6
243.47105	0.4
253.09244	14.9
254.09610	0.6
269.08145	0.9
283.12506	0.7
287.22226	0.6
300.13095	0.6
301.13568	1.0
357.11227	2.0
387.12366	1.9
417.13412	0.8
449.15994	4.3
449.27567	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	449.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27377	1.6
55.01759	1.8
57.03306	4.4
57.46780	1.6
57.68775	1.5
58.00465	3.3
59.01248	100.0
60.01568	2.0
61.76521	1.5
61.98697	9.1
71.01252	67.3
71.57380	1.4
72.99161	6.3
73.02818	3.6
75.00735	1.8
83.01234	4.4
85.02819	33.7
87.00740	7.5
89.02310	94.0
90.02705	1.6
95.01257	3.0
96.95870	2.6
101.02314	35.9
102.02634	1.5
111.00761	20.9
111.20051	1.5
112.01086	1.7
113.02338	25.2
119.03387	40.5
121.02843	3.6
129.01823	3.5
129.05440	4.7
131.03371	4.9
143.03416	7.4
143.97791	3.1
147.02873	1.7
149.04424	3.8
154.99736	3.8
155.61444	1.4
161.04420	8.0
169.67787	1.5
173.00821	8.2
179.05527	24.4
191.01888	7.7
209.02979	3.4
226.01962	5.9
227.02306	7.5
231.10269	1.7
257.08142	4.1
257.56595	1.6
269.17599	2.1
287.18625	2.5
389.18134	2.9
449.24646	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	449.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32558	0.4
59.01248	6.9
70.25107	1.9
71.01254	4.6
71.56758	0.4
73.02830	1.0
78.95752	2.0
79.91833	0.4
83.01287	0.6
85.02834	1.4
87.00715	0.7
87.32197	0.4
89.02327	4.7
93.03323	1.4
98.19877	0.5
99.00744	0.4
101.02323	4.6
113.02336	2.5
119.03391	1.2
121.02854	2.9
134.03635	0.7
145.06396	0.6
147.04413	0.7
152.99493	1.0
160.05237	0.5
161.04471	2.6
161.05635	0.5
173.04517	0.6
179.05559	0.7
183.13837	10.8
184.14139	0.8
195.13834	11.7
195.15562	0.7
196.14285	0.7
211.13382	0.8
213.14908	100.0
214.15256	6.0
221.06169	0.5
224.13643	1.2
225.05557	0.8
225.14938	3.3
226.06328	0.6
233.05977	0.4
241.05017	0.6
247.07597	0.9
249.05740	0.6
250.06271	0.4
251.07295	0.5
253.09258	19.0
254.09612	1.4
259.07886	0.5
265.08673	0.8
267.06604	0.8
269.08246	0.8
277.08722	0.6
311.10999	0.5
313.08694	0.5
339.10263	0.5
356.10568	1.0
357.11362	4.4
369.11417	0.9
387.12225	3.4
388.12631	0.5
417.13525	5.3
418.13657	0.8
419.18692	1.0
449.16037	24.2
449.27094	0.8
450.16403	3.9
450.22388	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	449.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11547	0.3
57.21244	0.3
59.01254	5.0
67.40852	0.3
69.83832	0.4
71.01248	3.2
71.34804	0.6
71.35136	0.4
72.18581	0.3
73.02816	0.6
77.59635	0.3
78.89633	0.3
78.95774	2.3
83.01321	0.4
85.02843	0.9
87.00762	0.6
89.02327	4.0
93.03323	0.9
98.19988	0.4
101.02329	4.1
106.94062	0.4
113.02373	1.7
119.03397	1.1
134.03593	0.4
143.03479	0.4
152.75513	0.3
152.99474	0.9
161.04495	2.0
173.04527	0.5
179.05539	0.7
183.13837	10.9
184.14169	0.4
193.12320	0.8
195.13843	11.2
196.14133	0.5
197.15294	0.4
207.13966	0.4
211.13268	0.7
213.14911	100.0
214.15282	5.1
224.06937	0.9
225.14903	10.0
235.35397	0.3
253.09271	18.6
254.09557	1.0
271.53970	0.4
426.51495	0.3
449.15997	1.9
450.22852	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	449.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96867	0.3
55.01746	0.3
57.03319	1.1
58.00455	0.4
59.01251	5.5
68.81135	0.3
69.03332	0.3
71.01251	2.7
71.57942	0.5
73.02812	0.6
78.95796	1.2
79.63200	0.3
83.01270	0.8
85.02834	1.1
87.00743	0.7
89.02312	3.2
90.16257	0.3
93.03336	1.1
99.00714	0.3
99.04402	0.4
101.02318	3.5
112.14604	0.3
113.02323	2.2
119.03409	0.8
121.02860	1.9
125.02288	0.5
134.03661	0.4
134.98055	0.3
135.04388	0.7
143.04922	4.3
152.99486	1.0
161.04489	1.8
167.14290	0.6
171.10164	0.4
173.04492	0.6
173.35724	0.3
179.05496	0.8
183.13835	3.2
183.55458	0.3
195.12064	0.4
195.13843	7.5
196.14186	0.4
211.13354	1.0
213.14911	100.0
214.15245	5.8
228.21866	0.3
235.08006	0.5
253.09268	15.9
254.09586	0.3
255.06668	0.3
267.06421	0.4
285.07672	0.6
286.08255	0.4
289.96872	0.3
301.10776	2.0
311.42523	0.4
431.14978	1.8
433.13235	0.5
449.16022	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44107	0.3
59.01247	0.5
71.34932	0.8
73.02752	0.4
78.95777	68.0
85.02813	0.6
87.18468	0.4
95.09117	0.4
96.95876	0.5
96.96842	6.3
113.02348	0.8
116.92758	1.7
116.97118	0.4
150.97929	2.1
152.99495	100.0
153.99826	2.3
154.99931	1.8
171.00571	3.6
239.62044	0.4
295.22662	0.6
310.79984	0.5
373.67099	0.4
449.23080	15.4
450.23358	1.7
469.89432	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.2
57.03319	0.4
58.00475	0.3
59.01252	5.2
68.99364	0.2
69.03334	0.2
70.61961	0.2
71.01254	4.2
71.27294	0.2
71.57308	0.2
71.57681	0.2
72.13026	0.2
72.99178	0.3
73.02820	0.7
75.70927	0.2
78.95779	2.5
81.03332	0.2
81.62347	0.2
83.01250	0.4
85.02834	1.3
87.00761	0.9
89.02322	4.1
93.03319	0.9
95.01259	0.3
96.95892	0.2
97.02850	0.3
101.02322	4.6
113.02335	2.3
119.03397	1.3
119.04863	0.2
121.02814	0.2
125.02361	0.3
129.01897	0.2
142.00526	0.2
143.03404	0.5
147.04446	0.3
149.04488	0.3
152.99493	1.0
161.04466	2.7
171.47675	0.2
173.04495	0.2
176.37210	0.2
179.05522	0.8
183.13843	12.7
184.14157	0.6
193.12297	1.0
195.13844	12.2
196.14162	0.7
197.15492	0.4
207.13782	0.3
211.13187	0.5
213.14911	100.0
214.13156	0.3
214.15250	5.9
224.06889	0.6
225.14920	8.1
226.06352	0.2
230.52365	0.2
231.43651	0.2
242.07932	0.2
253.09268	18.8
254.09624	0.9
267.06659	0.3
357.11255	0.2
357.19150	0.7
363.16586	0.3
375.20197	0.8
387.12183	0.4
401.14032	0.3
417.13306	0.3
449.16101	1.7
450.23129	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86669	0.3
59.01231	0.6
63.67378	0.3
69.07022	0.2
69.69739	1.3
70.44201	0.3
70.49660	0.3
73.02822	0.3
78.95775	64.2
96.95866	0.8
96.96838	6.3
98.19727	0.3
98.95469	0.3
116.92780	1.5
117.01800	0.5
117.92754	0.3
127.15598	0.3
150.97937	2.4
152.99490	100.0
153.99799	2.0
154.99998	0.4
171.00557	3.4
254.17262	0.3
277.21744	0.7
295.22659	0.6
449.23074	12.0
450.23364	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	449.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	4.0
58.00469	2.4
59.01249	93.2
60.01583	1.7
61.98706	4.1
67.01763	1.7
69.54842	4.6
71.01251	23.7
72.99185	5.4
73.02823	2.3
79.95623	0.6
83.01276	3.0
85.02824	20.8
87.00777	1.2
89.02310	19.7
91.42838	0.6
93.03328	6.3
95.01292	2.1
98.20596	1.3
99.00755	0.7
99.04399	9.2
101.02322	13.4
108.02052	4.9
111.00764	62.2
112.01109	2.0
113.02328	9.6
113.03059	1.0
119.03395	6.0
119.36344	0.6
123.04421	3.8
123.05241	0.7
124.76662	0.5
125.02298	0.8
129.01833	4.4
134.03568	0.8
135.04430	0.7
137.02350	10.2
152.01044	9.5
154.43025	0.6
154.99736	10.1
161.04451	1.3
165.12740	5.5
167.03410	13.4
168.03732	0.8
173.00827	24.8
174.01169	1.1
177.40480	0.5
179.05525	1.3
180.79015	0.6
185.11795	0.7
189.12863	0.8
191.01907	1.2
191.05461	0.7
207.13838	9.3
209.11760	28.7
210.12148	2.3
213.11189	0.9
225.14911	13.6
226.15277	0.7
227.12930	0.9
251.12907	4.6
257.08231	0.7
269.13922	100.0
270.14310	6.8
275.09271	1.4
281.06625	8.9
287.01883	0.7
287.14951	2.2
287.18631	1.2
389.20996	1.1
417.58841	0.7
449.11368	8.3
449.20209	78.0
450.20688	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	449.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.7
57.03323	8.3
57.03901	0.4
57.78019	0.4
59.01250	14.6
61.98702	55.5
67.01771	2.7
71.01263	5.6
71.57871	0.9
72.99175	4.9
73.02827	1.8
75.00755	0.5
78.95789	0.6
83.01263	4.9
85.02826	23.4
87.00740	0.5
89.02319	2.7
89.86199	0.5
93.03349	0.9
97.06485	2.5
99.00755	1.0
99.04395	5.7
99.92466	0.8
101.02322	8.5
111.00762	100.0
112.01096	3.0
113.02338	2.2
115.91982	1.9
116.92747	10.8
116.98934	0.4
117.92763	0.9
119.03384	1.1
122.05997	3.6
125.02339	2.4
129.01828	6.0
132.04453	0.9
133.02852	0.8
133.04927	0.6
134.03642	2.2
135.04462	0.7
143.03416	0.5
147.02924	0.8
151.11186	11.3
152.07072	7.4
152.11539	0.6
154.99762	13.8
156.00140	0.6
158.02362	0.9
161.02365	1.7
161.04466	1.7
162.03151	1.4
162.65245	0.5
169.12256	80.9
170.12564	4.7
170.15697	0.4
173.00829	30.0
174.01190	1.2
179.05470	0.7
190.05037	4.5
191.01869	0.8
195.10173	1.3
211.13388	0.9
213.11272	14.8
214.11601	1.1
216.14810	0.4
222.07690	4.3
227.29918	0.4
246.05243	0.8
253.09373	3.1
253.33366	0.4
275.09238	2.3
287.22272	0.5
305.06116	1.5
308.05392	0.6
357.19189	0.7
375.20557	1.2
387.07608	0.6
387.15558	11.6
422.37088	0.5
449.20261	58.3
450.20633	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	449.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21425	1.2
57.03339	1.8
58.62255	1.3
59.01245	9.2
60.47852	1.1
71.01262	3.6
71.55978	1.2
71.56895	2.1
72.99161	1.5
75.00747	3.1
78.95781	6.6
81.47886	1.2
83.96040	1.4
88.87394	1.2
89.02331	2.0
93.03333	16.0
101.02325	3.3
106.04099	1.5
107.04913	7.3
111.12714	1.2
113.02332	3.1
119.04905	5.2
121.02823	4.9
121.06469	1.5
122.24447	1.3
131.04913	3.2
133.04962	8.6
134.03635	17.2
135.04433	23.5
139.26323	1.4
139.81931	1.4
147.04396	3.3
149.05913	3.0
151.11185	3.1
152.99464	3.8
161.04514	1.7
165.05421	3.0
165.12689	1.8
166.53639	1.2
169.12273	14.3
171.10199	1.4
174.41614	1.6
177.05487	5.8
199.13239	1.5
210.06819	4.7
213.11255	3.7
221.05925	1.7
223.07657	8.2
224.08214	2.4
225.09126	6.0
225.14992	1.5
227.12817	5.3
235.07555	3.2
236.08308	1.5
237.09131	2.4
252.07797	2.8
253.08691	100.0
254.08969	5.1
264.08078	1.6
265.08676	31.7
266.09100	2.4
283.09906	9.6
329.11868	21.7
371.12869	5.7
414.16672	1.4
419.15073	2.3
431.15359	8.0
432.15341	1.9
435.38916	1.3
449.20319	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	449.1603
Annotation	Artonin T
Peak:m/z	Relative Intensity
57.03321	1.1
58.00451	1.0
59.01251	11.7
61.98674	1.3
64.47403	1.2
66.87893	1.0
71.01260	7.7
71.47018	1.0
71.56992	2.0
73.02810	1.3
78.95782	7.6
85.02814	2.8
87.00735	1.7
89.02318	9.3
90.02637	1.6
93.03333	2.5
95.07466	1.0
96.70029	1.0
96.96815	1.8
97.02758	1.3
101.02310	5.0
103.05399	2.0
113.02355	2.4
119.03417	1.8
119.04900	4.5
121.02846	25.7
130.04158	14.0
131.03354	3.1
131.04929	48.8
132.05222	2.2
134.03560	2.0
135.04414	3.6
147.04370	3.7
149.04524	3.1
149.05984	18.7
152.99416	1.7
163.39668	1.0
177.27037	1.0
193.06380	2.0
195.13718	1.4
197.05946	1.3
206.16786	1.1
208.05247	5.2
209.05978	3.0
211.03920	2.9
211.13315	1.5
212.13687	1.9
213.14937	17.4
219.04396	2.6
221.06046	9.9
225.05576	3.4
226.06288	6.8
228.04185	1.2
237.05516	18.4
238.05881	1.6
239.07092	35.9
240.04211	10.7
240.07402	2.3
241.04922	3.1
249.05621	5.6
253.04993	5.6
253.09131	3.2
254.05832	44.4
255.06464	9.1
258.05325	4.7
265.05057	2.3
267.06613	28.3
268.07068	3.1
268.62241	1.1
269.08173	8.6
270.08340	1.5
284.06796	2.3
299.09241	41.6
300.09552	3.5
301.14569	8.2
327.12479	2.1
369.11694	1.1
387.12372	97.9
388.12637	9.6
417.13364	1.4
449.16025	100.0
449.27060	2.6
450.16406	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	449.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.6
59.01250	100.0
59.87720	0.5
60.01595	0.7
66.81969	0.4
70.94080	1.0
71.01251	6.6
71.96947	0.4
73.02814	2.1
78.95798	1.0
79.10417	0.4
80.59105	0.4
83.01275	0.6
85.02825	3.2
88.98683	0.5
89.02302	1.3
95.01298	0.6
99.00762	1.0
101.02319	4.0
111.00751	1.6
113.02344	3.3
126.99456	84.2
127.99768	2.9
128.99301	0.4
132.73633	0.4
143.03418	0.7
159.02858	0.6
161.04457	7.5
164.08237	0.5
173.00810	0.9
219.55324	0.4
243.98512	0.5
273.29211	0.5
364.93875	0.5
385.24298	0.5
389.13727	2.8
393.36267	0.4
423.23300	0.5
449.15854	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.7
59.01251	100.0
71.01251	7.6
71.58181	0.9
72.99195	0.8
73.02834	2.1
74.56573	0.6
78.95794	1.5
85.02818	4.5
89.02325	1.8
101.02317	4.4
111.00786	4.7
113.02348	2.2
126.08092	0.8
126.99461	76.6
127.99810	2.5
132.04465	0.7
143.03551	0.7
154.99753	0.6
158.99062	0.7
159.03020	1.0
161.04506	6.3
173.00859	1.8
177.44243	0.6
351.03766	0.7
369.90579	0.7
389.13629	1.8
449.26907	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74363	0.5
52.92381	0.5
59.01250	100.0
60.01597	1.1
61.98693	0.5
64.66286	0.5
69.93349	3.0
71.01253	8.4
72.99210	0.7
73.02827	1.6
78.95769	1.3
83.01297	0.5
85.02813	4.2
89.02322	1.5
95.01280	0.7
98.20541	0.6
99.00758	1.0
101.02320	4.7
111.00781	2.6
113.02335	3.4
119.03413	0.9
126.99457	78.2
127.99805	2.3
154.99825	0.7
161.04472	7.4
173.00812	1.1
176.91418	0.6
192.50786	0.6
292.62946	0.6
309.65045	0.6
311.22333	0.6
315.92365	0.6
389.13660	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	449.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24863	0.4
55.01760	2.0
57.03324	11.6
58.00448	1.0
59.01250	19.8
60.01572	0.6
61.98701	6.3
67.01759	1.4
68.99661	0.7
71.01251	14.9
71.57022	0.6
72.01571	0.6
72.99178	4.0
73.02823	2.1
75.00741	2.6
78.95741	0.6
83.01248	4.8
84.02031	2.1
85.02822	100.0
86.03147	2.7
87.00747	1.8
89.02309	11.9
93.03336	0.6
95.01250	0.9
96.95901	0.5
99.00759	1.3
101.02321	9.2
103.00249	1.1
111.00763	62.5
112.01106	1.6
113.02322	4.4
115.00259	0.5
119.03381	4.3
129.01822	12.7
131.03447	0.4
133.01294	1.3
143.03436	0.9
147.02885	11.7
147.04074	0.8
151.44235	0.4
154.99753	8.6
155.10652	0.7
156.00131	0.5
159.10078	0.5
161.04430	2.3
171.10156	0.5
173.00829	21.0
174.01161	0.8
179.05576	2.4
187.03926	0.6
187.07600	0.5
191.01903	20.5
192.02197	0.9
192.28671	0.4
197.06038	1.5
201.11186	0.5
209.02966	16.6
213.09175	12.1
213.11226	1.0
214.09593	0.9
225.14940	0.7
231.10187	1.3
241.05037	0.7
257.08163	24.8
258.08536	2.0
275.09348	1.0
287.05573	0.5
287.15073	1.1
287.18689	2.5
387.20248	0.5
388.20505	0.7
389.20865	2.2
405.11334	0.5
449.10815	0.7
449.24683	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	449.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.6
56.98624	0.8
57.03311	3.4
59.01249	49.1
60.01574	2.0
61.98693	2.6
65.00182	1.5
67.01757	3.8
68.99691	1.0
71.01250	18.1
71.57108	1.2
72.99184	5.9
73.02825	2.0
80.96378	0.8
83.01256	7.0
85.02818	32.2
87.00748	1.2
89.02322	8.0
93.03329	33.5
95.01245	2.2
96.99181	0.9
97.02827	1.2
99.00761	1.6
99.04368	4.6
101.02328	11.0
107.01288	2.1
108.02049	30.0
111.00762	100.0
112.01098	2.7
113.02350	5.5
119.03384	1.9
121.02850	1.9
123.04406	13.3
125.02322	1.9
129.01828	7.0
134.03612	1.2
135.04417	11.7
136.01569	2.6
137.02341	44.0
138.02725	1.5
147.04424	2.1
151.00276	11.3
152.01056	50.3
153.01414	1.2
154.99762	13.3
161.04521	1.0
165.05533	1.0
165.12761	2.2
167.03409	66.9
168.03703	3.3
173.00836	28.2
179.05490	1.0
191.01822	1.9
207.13831	3.7
209.11771	11.9
213.11270	0.9
225.14861	4.1
231.10301	1.6
251.12773	1.6
269.13931	32.4
270.14212	2.4
275.09192	2.2
281.06653	38.7
282.07068	2.1
287.05606	9.4
449.10791	32.1
449.20288	23.1
450.11002	4.5
450.20551	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	449.109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14693	0.3
54.19235	0.3
57.03313	0.3
57.57644	0.3
59.01254	4.3
67.01755	3.5
69.39411	0.3
71.01263	2.2
71.44441	0.6
72.99184	3.5
73.02808	0.5
77.28921	0.3
78.68613	0.3
83.01256	3.1
84.98077	0.3
85.02825	17.0
89.02314	0.8
98.25390	0.3
99.00764	0.8
101.02316	2.5
111.00767	100.0
112.01096	3.0
113.02354	0.9
119.03383	0.4
122.98727	0.4
123.85183	0.3
124.07581	1.4
128.36125	0.4
129.01001	0.4
129.01860	4.6
134.03688	0.4
154.99779	14.0
173.00845	31.3
174.01181	1.2
211.13333	0.5
213.13931	0.4
269.21097	0.9
287.13992	3.4
287.22318	6.3
309.50500	0.4
329.15121	0.5
449.27570	17.8
450.27994	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70644	0.4
59.01233	1.8
59.19501	0.4
59.59573	0.4
71.06344	0.9
72.29903	0.4
77.01609	0.4
78.95780	28.7
96.96819	0.6
109.89941	0.5
116.92726	0.7
117.01784	0.5
121.99972	1.1
126.06561	0.4
140.01083	5.0
152.99496	18.2
153.99867	0.7
180.23174	0.4
196.03740	9.5
214.04808	2.5
251.20140	100.0
252.20453	7.8
297.60715	0.5
345.50003	0.5
364.98425	0.5
404.20718	0.5
448.24722	19.4
449.24789	2.0
474.47745	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55984	0.4
52.55241	0.4
53.25964	0.4
55.01760	0.5
57.03332	2.5
59.01255	6.0
65.00196	0.7
67.01762	2.2
69.26526	0.7
69.26933	4.2
71.01242	3.1
72.99177	6.3
73.02824	3.0
75.00753	0.6
79.95589	0.7
80.96390	1.6
83.01259	4.6
85.02826	32.4
86.03175	0.9
89.02322	1.3
96.95924	0.7
99.00759	1.3
101.02335	3.2
106.93378	0.4
107.01301	0.7
110.02315	0.4
111.00761	100.0
112.01115	2.8
117.01832	2.8
119.03334	0.7
121.02823	1.0
129.01825	10.1
133.02933	1.0
134.03658	2.5
135.04402	4.7
137.02370	1.6
142.90935	0.5
147.02895	0.5
149.02341	1.4
151.00299	4.2
152.01053	0.6
154.99767	14.5
156.00154	0.5
159.04465	0.6
160.01591	0.7
161.02406	1.2
161.04503	0.5
162.03081	0.8
164.04669	0.6
165.01849	3.2
173.00829	35.4
174.01132	1.0
174.03116	2.0
175.03848	0.4
177.57623	0.5
180.04185	2.0
183.13786	0.6
185.11858	0.7
187.03922	0.5
189.05432	0.6
191.01897	19.1
192.70831	0.5
195.06528	2.4
197.06071	1.0
208.03723	1.2
212.13683	0.5
213.09163	5.5
213.11145	0.9
214.09563	0.5
223.06082	2.9
225.00621	0.5
225.05679	0.5
225.07680	1.9
227.12839	4.0
231.10214	9.4
232.10571	0.6
246.05334	0.5
257.08002	1.1
275.09238	3.4
276.09607	0.8
287.05603	4.0
287.15054	0.8
287.77521	0.5
297.11346	0.5
313.41260	0.6
321.84961	0.5
343.11920	0.9
405.12430	0.5
449.10388	0.8
449.15668	0.8
460.94119	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	4.3
61.98717	0.6
69.03323	1.0
70.87122	1.5
71.01254	1.0
78.95780	12.9
79.95612	2.0
83.04902	0.7
85.02795	0.6
85.97559	0.5
96.95898	1.1
101.49693	0.6
107.74884	0.6
109.40480	0.8
121.02863	1.0
123.04414	0.7
127.65159	0.6
140.01097	3.6
152.99460	4.3
171.10092	0.7
182.27351	0.6
189.16464	1.4
195.13908	3.9
196.03741	1.8
207.13896	1.5
207.17529	2.5
214.04802	3.6
221.15459	2.7
223.16989	12.5
233.15424	15.7
234.15744	0.9
251.16510	100.0
252.16814	7.2
253.08720	0.7
302.06888	0.5
337.98904	0.6
345.40219	0.6
388.16446	0.8
400.16568	0.8
418.17215	1.0
448.21106	16.6
449.21216	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	448.247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04854	1.0
59.01242	4.0
70.33002	2.0
70.33399	2.0
78.62282	0.9
78.95781	50.7
96.95934	4.8
96.96860	4.7
116.92749	1.3
119.04879	0.9
124.34375	1.0
140.01137	2.4
145.02876	1.7
152.99500	68.4
153.99861	3.6
171.00565	3.4
196.03746	1.2
214.04729	2.8
230.37762	0.9
251.20149	100.0
252.20497	6.2
375.13574	0.9
448.25189	7.9
449.23145	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	447.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
61.63512	2.4
69.59968	18.2
89.45255	2.2
167.01108	5.0
279.23288	100.0
280.23712	9.7
301.51804	2.5
327.50293	3.0
447.24976	7.4
472.36121	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49486	0.9
52.64806	0.8
59.01255	6.9
63.96108	0.9
66.38683	0.7
66.80732	1.0
69.03314	1.6
70.05497	3.9
71.01270	0.9
76.29749	0.7
78.95779	38.1
79.95611	4.0
95.04918	1.0
95.34478	0.9
98.19781	1.2
121.02850	2.2
122.00008	1.8
131.42636	0.8
136.66029	0.9
140.01079	11.3
147.04407	3.6
148.04771	2.0
152.99489	4.0
159.26686	0.8
189.16457	2.6
195.13882	5.3
196.03734	16.6
203.33458	1.0
207.13831	1.4
207.17441	2.5
213.14827	1.8
214.04741	4.6
221.15456	3.5
223.16994	10.9
224.17078	1.1
231.13974	1.0
233.15456	18.9
249.14980	2.3
250.15402	2.9
251.16519	100.0
252.16859	7.2
300.09470	1.4
311.21960	1.1
323.03156	0.9
335.95792	0.9
368.13928	3.0
386.49481	0.9
389.13519	1.3
448.21054	53.9
448.26041	2.2
449.21222	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	447.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47817	0.3
59.01230	0.5
69.31992	3.0
69.32407	0.7
71.77353	0.3
75.01526	0.3
77.50479	0.3
77.79566	0.3
78.95783	6.7
90.38850	0.3
110.98417	3.8
128.00571	0.3
152.99489	0.4
160.04961	0.3
167.01083	2.5
185.02170	3.4
198.43889	0.3
207.31102	0.4
279.23297	100.0
280.23660	10.0
334.82187	0.3
447.25156	5.2
448.25568	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	0.4
60.32278	0.3
65.58136	0.3
69.60015	0.3
78.95786	3.8
81.68982	0.3
93.89713	0.4
110.98417	4.1
126.66782	0.4
152.78012	0.3
152.99600	0.4
167.01042	2.4
185.02103	3.1
229.49823	0.5
256.83270	0.4
261.22421	0.7
279.23294	100.0
280.23599	9.4
353.62469	0.4
447.25146	5.2
448.25412	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05441	0.2
59.01251	0.8
69.63732	0.7
69.64152	1.3
75.19486	0.2
78.95780	7.9
98.19810	0.6
104.97371	0.3
110.98421	6.6
113.99228	0.2
133.03136	0.3
152.99474	0.6
167.01071	5.2
185.02132	3.4
197.78087	0.3
214.93880	0.3
261.22086	0.6
279.23294	100.0
280.23636	9.1
401.16586	0.3
447.25204	4.6
448.25500	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.4
57.03327	3.8
58.00469	1.4
59.01251	100.0
59.69442	1.1
61.98701	3.9
64.43692	1.0
69.63959	7.5
71.01254	37.5
72.99213	1.2
72.99684	1.2
73.02813	13.7
77.87251	1.1
83.01251	5.0
85.02821	21.1
87.00754	19.5
89.02326	6.8
95.01263	2.7
99.00761	5.2
101.02328	23.1
111.00777	3.3
113.02324	15.9
119.03380	3.2
126.14832	1.0
129.01794	2.3
143.03430	1.2
159.02892	3.9
161.04468	20.0
183.01689	1.2
207.13782	1.9
209.11711	1.4
211.13257	3.0
225.14870	4.2
285.13443	2.0
297.17142	9.8
327.05112	3.2
387.20282	46.8
388.20407	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	447.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.1
62.43594	0.2
70.92944	0.7
78.95775	8.7
94.05714	0.3
95.52531	0.3
104.97313	0.3
110.98409	5.4
112.49720	0.3
152.99524	0.3
167.01070	5.8
168.01361	0.3
185.02142	3.9
192.04755	0.2
201.59021	0.3
221.08130	0.6
279.23273	100.0
280.23630	11.1
280.26752	0.6
351.87283	0.3
447.25119	8.8
448.25616	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00496	0.2
59.01250	100.0
60.01582	1.0
61.98695	0.4
66.10194	0.2
69.27454	0.3
70.22837	0.6
70.23225	0.5
71.01253	3.5
71.04884	0.4
72.99198	0.4
73.02824	0.4
75.00748	0.4
83.01214	0.3
85.02831	1.5
86.97584	0.2
87.00773	0.7
89.02317	3.0
93.03345	1.1
96.95919	0.5
97.02882	0.2
98.20419	0.3
101.02296	2.1
111.00779	1.0
112.14611	0.2
113.02357	1.3
116.92797	0.5
119.03391	1.4
123.04404	2.7
125.02480	0.2
136.01561	0.3
137.02354	1.6
143.03439	0.3
146.08130	1.4
151.00354	0.3
161.04494	0.9
165.38708	0.2
173.00926	0.3
179.05582	0.6
183.13919	0.4
197.02658	1.3
198.03596	0.3
209.11827	1.3
210.12144	0.5
211.04083	0.3
211.13376	5.0
218.53169	0.3
227.03441	7.1
228.03915	0.3
230.02527	0.6
239.03583	0.3
253.09290	0.7
255.02953	8.4
256.03421	1.5
267.10703	0.6
277.12302	1.3
281.06757	0.9
284.03265	6.7
285.03998	2.4
387.10840	1.3
387.20300	1.6
447.09564	7.2
447.17206	3.2
447.22614	0.7
448.09848	0.9
448.17206	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28761	1.0
55.01749	2.6
57.03319	3.1
58.00455	4.4
59.01252	90.6
60.01583	1.4
67.65319	0.8
68.07919	1.0
69.03347	1.7
71.01254	76.7
71.57069	1.8
72.01598	1.6
72.99172	7.6
73.02821	15.0
75.40407	0.9
78.95782	6.8
83.01264	7.4
83.04893	0.9
85.02826	15.2
85.99979	1.0
87.00762	9.4
89.02320	100.0
90.02607	1.2
92.05158	0.9
93.03329	2.0
95.01260	3.1
96.95869	1.2
97.02852	1.7
99.00770	3.8
101.02323	56.3
101.08414	0.9
111.00784	3.8
113.02336	17.9
113.03087	1.9
115.03915	1.0
115.05397	1.5
119.03391	17.7
119.04884	2.1
120.03783	1.0
121.18987	0.9
123.65346	0.9
125.02317	2.8
125.09611	2.0
129.01825	0.9
130.04160	1.2
131.03400	39.7
131.04897	1.8
133.06491	1.2
135.04475	1.1
143.03381	2.6
143.04945	2.0
147.04428	1.1
149.04460	49.6
151.07571	2.7
152.00966	0.9
152.99513	4.8
161.04410	4.7
179.05521	5.9
183.13843	3.5
191.03778	1.1
191.05531	19.5
191.07135	2.1
211.13344	52.8
212.13669	2.9
223.13275	1.9
223.70511	1.0
233.06567	1.4
243.10262	1.6
244.46284	1.0
251.42165	0.9
253.09334	5.5
255.06580	2.0
259.07626	1.3
263.10611	2.2
269.11859	1.6
277.08835	1.2
278.09396	2.2
279.10162	3.1
280.10913	1.2
293.11807	1.7
299.13022	1.5
315.18143	3.8
349.11853	1.4
369.14899	3.0
381.14941	5.3
387.15964	10.6
388.16461	1.4
393.15079	2.1
394.15463	1.2
399.16013	21.5
400.16357	2.7
411.15805	3.8
417.17093	29.5
418.17538	4.4
429.17059	27.3
430.17279	3.9
447.22150	9.4
448.21814	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	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.6
59.01250	61.9
60.01576	0.4
61.06964	0.3
62.16312	0.3
66.15936	0.4
69.33921	1.2
69.34341	2.8
71.01249	5.5
73.02821	6.3
74.17114	0.4
80.96410	0.8
83.01260	1.8
83.41199	0.4
83.75307	0.5
85.02832	0.8
87.00763	0.8
89.02328	4.2
96.95903	0.6
99.00774	0.5
101.02321	9.0
106.75247	0.4
113.02320	4.3
119.03396	1.8
131.03452	0.8
137.09555	0.4
143.03418	1.4
148.93970	0.4
149.04466	1.4
155.03505	0.4
161.04431	3.7
161.52672	0.4
166.43436	0.4
167.14285	0.6
183.13821	6.5
184.14151	0.5
184.49910	0.4
185.57544	0.4
193.12277	2.2
211.13335	100.0
212.13693	6.9
235.08275	0.7
253.09268	12.5
254.09618	0.9
313.57007	0.5
353.83163	0.4
447.09628	0.5
447.22308	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	2.9
59.01251	94.6
68.26257	2.3
71.01251	54.6
71.37852	4.8
72.27647	2.3
73.02828	17.5
80.77541	2.1
83.01269	9.1
84.11124	2.3
85.02820	25.5
87.00746	5.1
89.02307	19.0
95.01256	4.5
95.29755	2.3
96.04438	2.2
99.00756	9.0
100.14596	2.1
101.02317	40.4
111.00748	3.3
111.36388	2.3
113.02316	29.5
118.01836	2.1
119.03373	7.5
123.04379	2.3
125.02268	3.1
129.01787	2.4
132.78712	2.2
133.66640	2.3
137.09619	2.7
143.03387	5.1
152.27528	2.7
159.02870	4.5
161.02431	3.5
161.04449	37.0
171.54660	2.2
173.00763	2.6
179.05522	3.7
211.13095	2.4
225.14882	26.1
281.11111	2.7
307.16022	2.2
387.20200	100.0
388.20465	12.5
447.29599	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	447.2234
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
55.01757	5.0
57.03329	4.7
58.00465	3.2
59.01252	51.8
59.26702	1.6
66.92907	1.5
69.03337	7.5
71.01255	63.4
71.57702	1.8
71.58102	2.4
72.99162	3.5
73.02824	17.5
74.02355	2.0
75.00696	1.8
77.66096	1.4
78.95786	3.4
83.01262	10.4
85.02824	26.4
85.06470	2.3
87.00765	3.4
89.02317	27.4
93.03346	10.8
95.01280	3.4
95.95648	1.4
96.95895	1.7
97.02833	4.9
99.00773	9.7
101.02327	44.4
106.44255	1.4
111.00749	5.0
113.02336	18.7
114.71663	1.5
119.03403	1.8
119.04884	2.4
121.02850	57.4
122.03188	3.0
125.02316	5.2
125.09556	3.0
129.05460	9.6
130.41800	1.6
131.03381	15.8
131.04938	4.0
135.04431	2.1
143.03423	3.2
145.06488	2.9
147.04405	5.3
149.04485	9.7
149.05656	1.4
151.07581	3.4
152.99449	1.9
159.02911	3.1
161.04466	20.6
173.05989	1.8
181.12389	2.1
183.13924	2.7
187.09602	1.9
199.13281	2.7
207.10191	3.5
209.05974	2.2
211.07703	1.5
211.13333	30.7
212.13593	2.4
223.07787	1.7
225.05510	7.1
225.09236	1.8
225.11296	4.7
227.07066	5.5
233.06549	5.4
239.92249	1.5
243.12311	2.8
253.09232	5.5
263.10724	1.8
269.08109	1.7
271.05884	2.5
281.11658	1.8
285.23230	1.6
292.07254	1.6
293.08664	2.1
306.37692	1.5
311.10236	1.8
315.18112	43.0
316.18463	2.9
317.15970	6.7
341.11703	2.3
343.13391	4.6
369.11386	3.9
381.14893	2.5
386.11508	2.3
387.12253	3.4
393.14859	4.2
399.16248	7.2
411.15988	8.1
417.17520	7.1
429.17621	21.9
447.14508	99.4
447.22342	100.0
448.14615	12.3
448.22650	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	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01597	1.4
63.87543	0.4
71.01252	8.7
71.01608	0.7
71.57011	0.6
72.99185	1.6
75.00756	0.9
85.02835	1.8
87.00771	0.9
89.02314	15.3
96.95895	1.0
98.43529	0.5
101.02328	5.0
104.25541	0.4
111.00795	1.6
113.02341	4.0
119.03398	5.3
131.03387	0.7
133.04973	5.0
143.03407	1.2
145.06036	0.9
149.04510	1.1
151.07600	1.1
161.04491	2.2
162.14813	0.5
173.00931	0.6
179.05534	10.6
184.98218	0.4
190.50458	0.4
198.92545	0.5
226.91774	0.5
285.79364	0.5
305.66962	0.5
320.85840	0.5
330.60464	0.5
341.08167	1.0
387.07727	0.5
447.22672	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00453	0.7
59.01251	100.0
60.01594	0.7
69.65985	1.8
69.66396	0.8
71.01252	7.2
72.99189	0.5
73.02818	0.9
85.02824	2.0
87.00777	0.6
89.02318	10.6
95.01292	0.4
96.95906	0.5
101.02328	4.2
111.00755	0.8
113.02334	3.6
119.03392	4.3
121.16366	0.4
128.03435	0.6
131.03395	0.6
143.03435	1.1
145.06139	1.8
146.04483	0.5
149.04491	0.9
161.04485	1.7
179.05545	5.6
225.11345	1.2
269.10269	0.6
285.07687	0.4
387.20358	1.3
401.14685	1.8
451.01218	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14625	0.2
55.09859	0.3
59.01249	0.4
69.94800	1.1
78.95778	58.2
86.34167	0.2
95.83868	0.3
96.96844	7.3
100.85806	0.2
150.97945	1.8
152.99493	100.0
153.99831	1.2
154.99864	0.3
159.10707	0.2
171.00546	3.6
178.68633	0.2
188.17984	0.2
214.46710	0.2
293.21140	0.4
311.22198	0.5
376.16013	0.3
447.21500	9.8
448.21664	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.215
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61180	0.2
57.47007	0.2
59.01242	0.8
62.96276	0.3
69.86923	1.1
71.54926	0.2
78.95774	57.9
96.95908	0.4
96.96839	6.2
109.47677	0.2
111.47918	0.2
149.00012	1.4
150.97908	1.9
152.99486	100.0
153.99799	1.6
171.00537	4.0
171.01859	0.3
187.03845	0.2
195.14084	0.2
211.13312	0.7
281.72009	0.2
293.21332	0.4
343.79590	0.2
375.44385	0.2
447.13489	7.4
447.21567	10.7
448.13904	0.9
448.21790	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	447.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.2
61.24184	0.5
62.60476	0.4
62.96301	0.6
70.11688	2.5
72.99188	0.8
78.95777	86.3
90.00099	0.4
96.95877	1.9
96.96838	7.7
98.48795	0.4
114.09340	0.5
148.99989	5.6
150.97920	2.4
152.99490	100.0
153.99860	1.1
158.92439	0.6
171.00554	3.5
174.89267	0.4
179.01056	0.6
205.15988	0.6
273.14740	1.6
379.53500	0.5
431.10489	1.2
447.13492	28.0
447.21497	17.2
448.13837	3.6
448.22076	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1921
Annotation	Obliquine
Peak:m/z	Relative Intensity
58.02846	5.3
58.89318	1.8
59.01253	53.4
59.68314	1.5
68.02399	3.7
68.99683	2.0
71.01254	14.4
72.97716	1.6
72.99185	2.4
73.02841	1.5
73.03947	20.0
73.10074	1.5
74.02365	1.7
78.95778	2.0
85.02800	2.4
85.03954	2.2
89.02322	18.8
93.03311	2.1
95.01272	2.9
97.03955	4.3
98.02355	3.6
101.02340	8.8
112.05009	2.3
113.02334	4.3
115.00176	1.6
115.05014	35.4
119.03378	6.9
123.04438	5.1
127.05007	5.3
128.03409	2.0
130.06094	5.3
133.01315	2.0
134.03545	1.9
135.04402	4.0
139.08743	1.9
141.10178	1.8
143.04469	1.6
143.11717	1.8
145.06076	3.2
148.04283	28.5
149.04518	1.9
152.99510	2.8
154.06096	4.3
155.03416	7.5
161.04581	1.8
161.07407	1.6
169.09755	3.0
169.13347	5.5
172.07198	5.4
179.05585	1.8
186.04573	3.6
202.08012	2.4
213.12373	5.3
217.13727	10.4
218.09680	2.0
219.39285	1.5
225.07695	2.1
225.14987	2.4
226.15620	5.2
243.11696	2.8
261.12753	6.9
266.20172	1.7
267.10294	7.7
274.15948	24.7
318.14810	3.0
331.17969	7.8
377.03812	1.9
387.20547	3.8
399.14288	5.2
417.18118	64.8
418.18414	4.6
429.17990	18.2
430.18295	2.0
447.19116	100.0
448.19406	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	447.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	68.2
62.34618	1.3
71.01262	13.3
71.37497	3.2
72.99197	1.9
73.02840	4.8
74.45406	1.3
78.95778	3.1
85.02837	4.2
87.00804	2.1
89.02332	5.4
95.01317	1.3
95.04977	1.6
96.96861	1.7
101.02332	11.6
106.04131	4.1
108.02073	1.4
113.02338	5.6
119.03386	2.8
121.02907	1.3
121.06515	2.1
123.04356	1.6
125.14497	1.4
128.03435	1.9
133.04985	6.4
138.63791	1.5
141.28445	1.3
145.06163	2.1
151.07562	100.0
152.07903	5.4
161.04497	16.6
179.05556	1.7
205.03439	1.7
235.08136	7.4
237.37329	1.7
322.98129	1.5
359.17365	1.7
387.16519	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06775	1.5
59.01251	17.8
63.96120	5.7
66.84415	1.4
69.03324	5.9
71.01257	5.6
71.57876	3.0
73.02835	2.9
78.95773	11.7
79.95609	18.8
80.96391	4.6
84.45644	1.7
85.02837	3.2
87.00734	2.1
89.02334	3.5
93.03355	5.1
96.95899	3.7
101.02345	4.7
108.02058	2.4
119.04929	3.4
121.02847	27.3
143.04897	2.0
147.04413	34.6
152.99487	6.2
160.05185	3.4
161.05983	5.8
163.03969	3.2
165.09091	1.7
172.95291	1.6
173.06033	6.8
183.04396	2.0
184.05211	12.2
185.05971	5.2
187.03871	1.9
196.03722	2.4
197.06036	6.4
198.06798	2.6
200.04703	3.5
211.03947	5.1
212.04732	55.3
213.05470	25.2
215.07065	4.2
223.07571	4.5
223.17093	2.6
226.06250	1.7
235.07590	2.2
236.08388	4.2
237.05626	1.9
237.09181	3.9
239.07039	15.7
240.07599	1.9
243.10156	8.5
249.14940	3.6
250.15315	8.2
251.07141	25.1
251.16507	13.5
252.07884	24.2
253.08426	4.2
254.05779	3.5
255.06648	3.7
265.08713	5.6
267.06616	4.4
267.10016	2.1
271.09744	16.1
284.07010	5.5
291.19330	1.6
299.09152	9.4
323.13303	2.1
328.10995	2.1
329.23224	2.3
358.12003	13.4
359.12387	1.9
385.10999	3.9
387.16000	4.3
388.13126	100.0
389.13504	16.0
391.15286	1.9
399.16235	7.2
417.17273	16.4
418.17371	3.8
429.16721	5.6
447.18216	54.3
447.26062	9.8
448.19623	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22069	1.7
57.67907	1.6
58.00451	1.7
59.01258	30.7
65.71377	1.5
70.93291	2.0
70.93631	3.9
71.01251	19.1
73.02820	3.7
78.95778	11.5
79.02346	1.5
85.02818	4.1
87.00755	2.1
89.02323	31.1
93.03339	12.7
99.93913	1.8
101.02345	13.7
102.28490	2.1
113.02316	3.7
119.03390	2.1
119.04916	3.3
121.02824	4.7
130.04129	3.8
131.03406	12.4
132.05701	12.4
134.03656	8.9
135.04381	2.9
143.04929	12.2
145.06506	43.9
146.06789	2.0
147.04414	10.4
149.04475	17.8
151.07539	1.7
152.99486	3.6
155.02176	1.6
163.07527	2.2
191.05540	7.3
211.13351	12.9
221.06026	2.7
223.07562	11.4
224.08264	7.2
225.09193	2.9
235.07620	6.3
236.08406	8.4
237.09093	4.2
239.10660	3.8
249.09250	2.2
253.09357	1.9
253.12392	1.9
256.07376	6.9
261.09158	3.3
262.10007	3.1
263.10806	10.4
268.07309	10.9
275.10776	13.7
281.11816	4.6
299.12848	18.6
355.13071	2.0
357.15002	15.0
358.15103	2.2
369.14926	36.9
370.15494	4.2
381.14969	2.3
387.16028	79.9
388.16180	9.2
399.15991	100.0
400.16312	12.7
417.16983	11.9
429.17123	19.8
447.17786	5.0
448.20929	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	447.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10143	0.9
63.36105	0.9
67.03143	0.9
72.99184	5.5
75.00738	3.9
82.08009	1.0
98.20547	2.1
126.66985	0.8
133.04959	100.0
134.05261	2.7
135.52171	1.0
163.08220	0.9
342.43768	0.8
397.65051	0.9
410.87079	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
59.35638	2.1
61.98698	2.1
68.99695	6.0
69.03333	3.4
70.17709	8.8
71.01260	28.2
73.02826	3.7
73.70576	2.3
78.50543	2.4
85.02824	6.6
87.00722	2.5
89.02325	31.6
95.01260	6.7
95.23934	1.9
101.02335	25.3
113.02313	9.2
119.03383	9.0
123.04390	9.6
137.02353	2.5
146.48329	2.1
155.03391	13.9
158.86240	2.0
161.04456	4.9
179.05508	3.6
225.07593	4.3
225.14879	3.7
232.51245	2.2
267.06494	4.3
327.05151	6.5
387.20297	14.5
400.32141	2.3
447.09277	7.2
447.22424	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	447.1813
Annotation	Griffonianone C
Peak:m/z	Relative Intensity
55.27451	0.4
57.03308	0.7
59.01250	11.8
69.03327	1.4
71.01257	1.2
71.57290	0.7
78.95780	8.3
79.95594	2.9
80.96385	0.5
84.02054	0.7
85.02826	0.6
89.02313	0.9
89.78782	0.4
91.03922	0.4
93.03338	3.5
96.95912	0.7
96.96819	1.3
99.80888	0.4
101.02312	0.7
107.04906	0.6
108.02058	0.7
119.04906	1.6
121.02846	72.8
122.03172	2.4
125.09613	0.6
130.04175	0.7
135.04462	0.5
143.04936	0.9
145.06490	2.6
147.04416	2.0
150.69025	0.5
152.99498	3.0
161.05861	0.5
171.00551	1.0
173.05981	1.0
211.13356	2.1
225.09085	0.6
226.06236	0.7
241.08823	0.8
243.10242	0.9
253.08704	1.3
255.10231	0.9
258.05365	0.5
263.10767	0.8
269.11755	3.9
271.06955	0.9
271.09766	15.7
272.10117	1.2
281.11603	0.7
288.10004	2.1
293.11865	1.4
297.11441	0.9
311.12814	2.0
324.11520	0.6
325.14484	1.5
327.21686	1.5
355.13504	3.2
367.13132	1.2
369.14938	3.8
373.16016	0.6
385.14572	1.4
386.15128	3.9
387.16000	27.5
388.16333	2.6
399.15918	1.6
401.17557	0.7
405.25171	0.5
417.17123	1.5
429.16992	1.6
447.18106	100.0
448.18454	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	447.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91842	0.3
59.01269	0.5
62.96273	1.4
69.05166	0.3
70.10991	1.5
70.99801	0.2
78.95779	60.1
96.96837	3.7
126.68401	0.3
149.00003	20.7
152.99493	24.5
155.05069	0.3
158.92450	2.2
171.00578	0.7
179.01070	3.1
205.15932	1.3
240.96680	0.4
267.11551	0.4
310.33966	0.3
347.08319	0.4
354.92584	0.3
378.22510	0.4
381.01212	0.3
417.12363	0.7
418.12607	0.3
431.10229	3.0
432.10800	0.6
447.13425	100.0
448.13791	9.9
448.20374	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00071	1.1
52.85717	1.1
54.34567	1.2
59.01254	15.9
68.02400	4.5
70.33220	4.8
71.01257	2.6
78.95776	43.7
79.75519	1.1
89.02325	2.2
96.95897	14.3
96.96853	3.1
97.06608	1.5
98.20478	1.3
98.95468	1.7
101.02307	1.6
131.50093	1.2
149.00005	19.6
152.99496	11.1
158.92421	1.5
171.00453	1.2
179.01099	2.5
184.26044	1.3
205.15878	2.2
211.13339	12.3
232.97897	1.2
279.19791	1.5
279.23203	2.0
387.20355	1.9
431.10577	2.4
447.13434	100.0
448.13733	14.4
463.10834	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	447.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.9
71.01261	0.4
71.32877	0.2
71.33210	0.4
72.99181	4.1
75.00741	3.7
85.02815	0.5
88.14051	0.2
89.02309	0.3
92.28574	0.2
103.00197	0.2
105.01813	100.0
106.02161	1.6
107.69659	0.2
111.00783	0.4
113.49594	0.2
115.21590	0.2
133.04947	1.9
182.73192	0.2
191.75450	0.2
209.02917	0.4
216.99155	0.3
246.98618	0.4
293.02740	0.2
381.26459	0.2
397.54562	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12884	2.0
59.01252	25.2
69.70821	2.2
69.71228	7.4
71.01257	100.0
72.99184	14.6
73.66227	1.3
74.02333	1.8
78.95805	4.6
89.02312	9.6
93.03344	7.7
101.02334	4.1
105.42406	1.3
107.04938	2.6
113.02351	3.7
115.00258	40.8
119.03398	2.6
119.04930	2.4
121.06638	1.7
123.04436	1.7
133.01331	82.3
134.01665	3.5
134.03609	3.4
135.04433	13.5
135.91783	1.7
147.04401	2.3
149.05937	2.3
152.99518	3.0
159.04543	1.8
165.05426	2.0
177.05504	3.7
210.06761	2.7
211.07535	1.9
223.07613	3.1
224.08313	1.8
225.09138	4.9
235.07713	1.8
237.09276	2.4
253.08684	71.6
254.09076	4.4
265.08704	26.8
266.08926	3.2
283.09811	5.2
286.72821	1.5
295.09692	2.4
301.10806	51.0
302.10938	3.5
313.10815	30.4
314.11084	3.1
444.61148	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79743	0.2
59.01250	2.4
65.00191	0.5
69.03307	0.2
71.01237	0.5
71.21322	0.4
72.99220	0.2
80.02548	0.5
80.96390	0.3
81.03313	0.3
85.02837	0.4
89.02313	0.2
91.01770	14.7
92.02108	0.5
93.03335	0.8
95.01271	0.8
96.95885	0.8
101.02344	0.3
107.04896	0.5
108.02049	18.6
109.02871	4.0
111.00761	0.2
121.02823	0.9
122.99899	0.3
123.00768	5.3
124.01514	0.7
135.00777	14.2
136.01144	0.3
137.02338	4.3
138.02631	0.2
145.21700	0.2
145.38130	0.2
149.02409	0.4
152.01057	16.4
153.01334	0.4
161.04518	0.2
169.06531	0.3
177.01833	0.2
197.06036	1.5
199.07523	0.5
211.13353	1.8
213.05467	1.0
215.07098	0.8
225.05576	0.4
235.10721	0.2
241.04945	0.2
243.06590	100.0
244.06935	7.4
253.09256	0.2
294.26245	0.2
381.10275	0.2
387.10861	0.7
405.11667	0.2
447.13034	3.1
447.26306	0.4
448.13431	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1295
Annotation	Belalloside B
Peak:m/z	Relative Intensity
57.03308	0.2
59.01249	1.9
60.81926	0.1
64.39391	0.1
67.89795	0.1
69.03342	0.2
71.01258	0.7
72.99210	0.2
75.00748	0.2
84.18130	0.1
85.02831	0.9
87.00756	0.2
89.02325	0.5
93.03336	26.7
94.03671	0.6
95.01254	0.4
98.19756	0.3
101.02332	0.6
108.02045	0.4
111.00746	0.8
113.02356	0.2
119.03426	0.2
121.02844	0.2
128.10588	0.1
129.01836	0.2
132.04483	0.2
136.01573	0.4
137.02344	100.0
138.02682	3.4
161.04494	0.2
173.00833	0.3
179.03514	0.2
183.13823	0.2
191.01956	0.2
199.07623	0.2
208.37709	0.2
209.11742	0.2
211.13316	4.0
212.13834	0.2
219.07750	0.5
225.14766	0.2
229.08641	0.7
229.30560	0.2
245.19191	0.1
253.09357	0.7
273.07669	0.2
341.08820	0.5
387.10965	0.4
447.13126	1.1
447.21979	0.2
449.24380	0.1
456.49286	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	447.1294
Annotation	Siebolside A
Peak:m/z	Relative Intensity
51.02282	0.7
59.01249	12.8
63.96135	0.6
67.01768	0.5
68.99663	0.6
69.03326	71.8
70.03667	1.0
71.01251	1.7
71.06047	1.1
73.02804	0.7
78.95781	0.5
79.01745	5.8
79.02126	0.5
79.95618	1.6
80.96416	2.2
81.03334	3.7
81.60521	0.4
82.95969	1.4
83.01250	1.3
85.02804	3.1
95.01267	7.4
96.95889	41.7
97.02826	40.2
98.03189	0.6
101.02347	1.0
107.01265	29.4
108.02073	9.2
109.02884	3.2
111.00767	1.5
113.02312	1.1
121.02856	3.0
123.00764	11.0
125.02335	100.0
126.02633	2.8
133.02841	2.0
135.00775	42.5
135.04390	0.8
136.01624	3.3
137.02336	2.1
145.02840	0.5
149.02365	1.6
151.00272	70.7
151.99304	0.8
152.01065	19.0
153.01826	4.9
163.03917	5.0
177.01837	8.0
189.01865	0.6
194.02057	0.5
197.05977	1.2
198.06703	0.6
207.02890	0.8
211.13332	1.7
221.83900	0.4
224.53250	0.5
225.05644	0.9
235.05901	0.6
236.66170	0.5
242.05807	89.7
243.06538	47.7
244.06937	3.7
257.07993	0.5
279.05264	0.5
285.07761	2.8
339.07159	4.6
340.07605	0.5
387.10770	1.9
447.12933	37.1
447.25894	0.9
448.13235	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	446.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	5.8
62.40352	0.8
63.34836	0.8
63.96115	1.5
69.03325	16.0
69.61209	5.4
69.61616	1.6
71.01244	1.1
78.95780	40.2
79.95606	2.4
81.36465	0.8
83.48392	0.9
95.04924	1.9
96.95901	1.6
96.96848	1.7
97.06480	1.3
103.54828	0.9
121.02866	5.4
122.00018	1.5
131.04916	1.2
140.01093	10.9
149.13232	1.1
152.99472	5.9
161.13277	1.2
167.10719	2.3
171.10216	1.4
186.28925	0.8
187.14867	1.2
193.12270	3.4
196.03738	21.8
205.12267	6.4
205.13948	0.9
205.15891	5.0
214.04756	6.5
221.15428	7.7
224.78471	0.9
231.13872	20.0
249.14941	100.0
250.15244	7.9
251.07019	1.1
252.07454	1.6
280.10522	1.3
342.75778	0.8
368.13992	1.1
414.98544	1.0
416.16077	2.4
428.16022	4.2
446.19553	49.3
447.19916	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	446.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73196	0.9
59.01247	9.5
63.96107	6.3
69.03329	27.0
78.95775	15.8
79.01722	1.3
79.95606	10.0
80.96398	1.5
87.53471	1.2
93.03349	1.9
96.95886	13.2
96.96844	1.5
97.02824	8.5
107.01244	4.9
108.02058	3.0
109.02872	0.9
111.08019	1.4
119.04910	1.7
121.02835	3.4
123.00773	1.4
125.02334	15.1
130.04137	3.5
131.04529	2.4
135.00772	6.8
135.04446	1.2
136.01553	1.1
140.01093	4.8
141.20578	1.0
145.06491	3.7
146.06828	1.3
147.04402	1.4
151.00275	10.9
151.11197	1.0
152.01067	3.4
152.99477	3.5
161.06015	1.1
161.13231	1.0
173.05989	2.5
175.11281	1.1
177.01849	1.4
179.10933	1.1
187.14949	1.8
191.07103	3.7
192.07375	3.2
193.12256	2.4
194.09590	1.0
196.03749	2.9
198.24242	1.0
205.12257	5.2
205.14186	0.9
205.15887	5.1
214.04761	4.9
221.15428	6.1
223.16972	1.0
229.47275	1.3
231.13882	15.7
232.14294	1.7
242.05836	12.3
243.06621	4.8
249.14925	100.0
250.15239	6.8
261.18576	1.0
298.11502	3.1
398.14764	2.6
410.15030	2.5
416.15784	3.4
428.15909	5.7
446.19781	15.4
446.25342	2.3
447.14047	5.8
447.19836	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	447.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	8.2
63.02268	0.2
65.00201	0.4
69.40849	0.8
69.41281	0.9
83.01241	0.3
85.02830	0.2
89.02305	0.5
93.03328	0.6
98.20531	0.4
101.02307	0.4
107.01255	1.2
111.00777	0.2
123.04362	0.4
125.02369	0.4
132.02074	0.3
135.00653	0.3
143.04988	0.3
151.00284	2.2
153.01817	0.5
159.04388	0.5
163.00278	0.6
169.01404	0.4
169.06497	0.4
174.03195	0.4
175.03859	0.3
178.99768	0.6
183.04405	1.3
185.02322	0.3
185.05988	0.6
187.03882	0.7
197.02614	0.2
197.05927	0.3
199.03998	0.4
207.10004	0.2
209.11784	0.6
210.12073	0.4
211.03963	1.9
211.13426	1.2
212.04625	0.3
213.05519	0.8
227.03444	74.3
228.03807	4.5
229.04973	1.9
239.03395	0.9
240.04166	0.4
241.04955	0.5
255.02960	95.2
256.03555	14.1
257.04364	2.0
269.04355	0.3
283.02469	0.3
284.03250	79.9
285.03958	33.1
286.04358	2.3
299.05566	0.4
327.05127	1.5
408.90234	0.2
447.09293	100.0
448.09595	12.3
448.15939	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.8
57.03326	79.8
58.03661	1.2
59.01251	100.0
60.01578	0.7
69.03332	0.4
71.01255	19.4
71.56890	0.5
73.02819	9.0
75.00734	0.5
78.95776	2.4
81.03328	1.6
83.01252	4.0
83.04942	0.8
85.02824	11.3
85.06476	2.7
87.00755	1.2
88.32295	0.3
89.02332	1.7
93.03323	0.4
95.01263	1.9
96.58939	0.4
96.96835	1.2
97.02828	0.9
97.06474	0.6
99.00766	4.5
99.04396	76.0
100.04738	1.2
101.02321	26.5
102.02637	0.4
109.02801	0.6
111.04370	0.8
113.02330	9.2
121.02787	0.9
121.92190	0.3
125.02340	32.0
125.09607	3.7
126.02682	0.6
129.05472	11.8
135.04410	0.7
143.03424	2.1
152.79263	0.3
152.99460	1.7
159.02859	1.1
161.04465	12.9
163.11105	0.8
171.10057	0.4
181.12183	1.9
187.09653	2.1
197.11723	0.4
199.13315	2.3
203.34686	0.3
205.03352	0.8
207.10164	2.2
211.13321	2.5
225.09267	0.5
225.11244	4.2
243.12325	3.5
261.13394	2.1
263.12830	0.8
265.08713	1.0
285.05106	0.6
298.98941	0.3
303.06387	20.1
304.06509	0.9
317.16031	7.0
335.87192	0.4
345.07465	2.7
361.11710	0.5
375.56161	0.4
385.10233	0.6
447.10629	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.2
57.03326	100.0
58.03655	1.3
59.01253	89.0
60.32404	0.5
62.44008	0.5
65.73553	0.6
71.01256	17.6
71.57726	0.9
72.99196	1.0
73.02819	8.3
78.95782	1.1
81.03330	1.2
83.01273	3.6
85.02822	8.8
87.00755	0.7
89.02300	1.2
95.01249	1.2
99.00757	2.9
99.04398	77.6
100.04733	1.4
101.02325	25.5
113.02337	7.8
121.02790	1.7
125.02346	27.0
125.42068	0.6
126.02673	0.8
143.03386	1.2
152.99518	0.8
159.02866	1.2
161.04478	8.3
183.13824	0.9
211.13266	1.9
236.40329	0.7
261.13303	0.8
267.70599	0.7
270.07642	0.6
303.06430	14.1
345.06985	1.9
355.13248	0.7
399.11942	2.4
447.09720	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	99.5
59.79088	0.7
60.01592	1.5
61.98726	0.6
64.67155	0.7
68.12735	0.6
70.50105	1.6
70.50506	1.1
78.95779	67.2
91.03933	1.0
93.03325	0.8
96.95912	3.1
96.96826	6.9
98.20487	0.7
111.08092	1.2
121.02860	3.4
125.09641	1.1
129.40237	0.7
132.64944	0.7
139.11252	0.9
144.42345	0.7
150.97946	1.8
152.99507	100.0
153.99841	2.0
171.00581	4.6
171.10201	1.7
175.55363	1.0
187.09708	0.9
201.11104	1.3
291.19632	0.8
293.21036	1.3
298.55069	0.8
311.22250	10.9
312.22723	1.1
361.73279	0.7
445.20163	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	445.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10736	1.3
57.60150	1.3
59.01255	100.0
71.35027	2.1
71.35360	2.0
76.44364	1.3
76.91233	1.5
78.95782	8.1
91.03921	1.5
96.95901	5.3
100.21889	1.4
121.02863	1.7
152.99513	8.4
171.10199	1.5
196.03633	2.4
211.52194	1.3
249.18604	9.9
299.46085	1.5
311.22290	16.3
329.60684	1.8
349.22580	1.4
397.93149	1.5
446.23019	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	445.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
61.39001	1.0
65.40724	1.2
70.63683	2.1
70.64075	2.2
78.95780	21.5
93.43989	1.1
96.95905	5.2
96.96835	2.8
120.87541	1.3
128.07484	1.4
152.99493	30.3
164.61360	1.3
171.00536	1.3
277.21616	2.8
311.22189	8.8
387.47653	1.4
445.20029	3.9
453.15363	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18738	1.0
58.07420	1.1
59.01254	94.2
70.43850	3.3
70.44227	1.9
71.76042	1.1
76.00582	1.0
78.95779	70.9
80.37629	0.9
91.03893	1.5
91.75411	1.1
93.95138	0.9
96.95884	14.3
96.96828	6.7
98.19730	1.0
120.75580	1.2
121.02831	4.5
125.09615	1.4
125.21718	1.0
150.97952	1.8
152.99500	100.0
153.99817	2.4
161.05862	1.1
171.00578	4.5
171.10124	1.1
175.71422	1.1
242.31375	1.2
267.10428	1.4
269.04312	1.2
291.19629	1.4
297.11340	1.1
305.08517	1.3
311.22256	12.8
387.08011	1.8
445.20117	11.0
446.20776	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2958
Annotation	(R)-4-((3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7,11-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
Peak:m/z	Relative Intensity
55.89385	0.3
57.03323	0.5
59.01249	19.9
68.02408	0.5
70.05839	0.3
71.01247	1.3
71.04881	0.5
78.95776	0.6
89.02341	0.3
91.03860	0.4
96.95891	9.7
97.06463	0.4
101.02299	0.4
101.05966	0.7
119.79762	0.3
121.02854	0.8
122.03595	0.3
125.09541	0.6
126.99481	0.4
135.04388	1.0
137.02333	0.4
145.09703	1.1
152.91649	0.6
152.99504	0.8
153.09052	0.7
159.04350	0.4
161.02307	0.5
162.03157	0.4
162.06772	2.3
163.03943	0.4
167.94748	0.3
174.03221	0.3
183.13774	0.4
187.03941	0.6
188.04648	0.6
189.05490	1.1
209.11752	0.9
211.11446	0.6
211.13324	5.6
215.07043	0.5
233.08211	0.4
234.08931	3.8
235.09521	0.4
271.23026	0.3
287.05545	0.4
292.13116	0.6
303.12476	0.5
305.14136	0.5
311.22095	2.0
325.25330	0.6
347.14890	0.7
353.28531	2.7
354.29010	0.5
373.20123	0.4
383.29526	0.5
397.27444	1.0
415.28598	2.7
427.28589	3.3
428.28983	0.5
445.29556	100.0
446.29901	16.4
454.18958	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88982	0.7
59.01249	31.7
67.77958	0.8
68.02401	10.2
70.54287	1.3
71.01237	2.9
72.99174	1.3
75.00735	0.9
85.02835	1.9
89.02306	2.9
101.02325	2.0
111.00755	2.0
113.02356	0.8
119.03384	1.2
121.02820	0.7
128.03468	0.9
141.98166	37.9
142.98994	3.6
147.06549	4.3
152.72324	0.9
154.98962	3.3
165.15752	0.7
179.05450	0.8
183.87798	0.7
188.04538	2.5
209.11717	4.6
210.12094	2.9
224.02260	100.0
225.02609	4.8
233.19984	0.8
239.27565	0.7
300.29874	0.8
343.59348	0.8
387.20206	1.0
416.58514	0.8
469.44055	0.7
473.08566	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27071	0.3
54.88946	0.3
59.01236	1.1
71.13523	0.4
71.13837	0.3
74.20892	0.3
78.95776	6.1
80.23021	0.2
90.14450	0.3
110.98417	5.8
125.53069	0.3
152.99487	0.4
153.45541	0.3
156.21049	0.3
167.01085	3.1
183.59909	0.3
185.02148	3.8
277.21713	100.0
278.19043	0.6
278.22061	8.7
445.23560	5.8
446.24210	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.6
69.39407	2.7
78.95775	10.4
96.95925	0.7
98.19752	0.6
110.98416	7.5
167.01056	6.8
185.02147	3.9
233.22668	0.4
259.20618	0.4
277.21722	100.0
278.22067	10.9
325.18063	0.4
344.08057	0.4
358.74942	0.4
445.23581	9.2
446.23898	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77987	0.4
58.64865	0.4
59.01254	1.7
71.04452	0.8
78.95772	10.1
80.27377	0.3
82.42283	0.3
96.95897	0.8
99.66068	0.4
104.97310	0.4
109.68019	0.3
110.98409	7.7
118.67081	0.4
127.07542	0.4
157.58409	0.3
167.01048	5.5
185.02124	4.9
236.14757	0.3
259.20389	0.4
277.21710	100.0
278.22061	11.2
280.10452	0.4
325.18280	0.5
395.23145	0.4
445.23581	9.2
446.24106	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	445.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.3
59.01236	1.3
59.72739	0.3
65.09126	0.3
65.44778	0.3
70.40646	0.4
71.35139	0.6
78.95776	8.5
91.29246	0.3
94.53069	0.3
104.33096	0.3
104.97331	0.5
110.98415	7.4
130.68919	0.3
152.99487	0.3
167.01053	5.3
185.02107	4.1
224.98967	0.3
259.20743	0.3
277.21710	100.0
278.22058	9.3
292.87808	0.3
325.18634	0.3
445.23615	8.1
446.23706	0.7
460.59915	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67884	0.3
59.01243	1.3
60.88494	0.4
70.09815	1.7
73.83515	0.3
75.28994	0.3
77.17528	0.4
78.17969	0.4
78.95773	16.7
98.19784	0.5
104.97302	0.4
110.98414	9.9
136.99930	0.5
152.99483	0.4
166.99644	0.7
167.01059	13.9
185.02112	4.1
233.15483	0.4
233.22832	0.4
246.67064	0.4
275.20126	0.5
277.21707	100.0
278.22043	10.7
331.21396	0.3
401.49167	0.4
445.23572	16.1
446.23801	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	445.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.3
63.15570	0.6
64.63861	0.6
70.09467	2.0
70.09875	1.1
73.82437	0.5
78.95780	22.5
92.27334	0.6
104.97352	1.3
110.98414	15.5
113.95127	0.6
116.49265	0.6
167.01057	14.4
185.02097	3.8
244.78413	0.6
246.33804	0.6
277.21722	100.0
278.22098	6.8
290.09030	0.6
445.23596	15.2
446.23834	1.1
468.31000	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2079
Annotation	Trp Glu Ile
Peak:m/z	Relative Intensity
55.01762	4.5
57.03334	5.2
58.00479	2.8
59.01253	69.7
60.01591	1.6
61.98724	1.2
69.03344	4.0
71.01256	100.0
71.57794	1.4
71.58161	0.9
72.01610	1.5
72.99187	5.7
73.02826	23.5
75.00752	1.8
76.73426	0.8
78.95805	2.4
81.03357	2.1
83.01265	11.5
85.02828	39.4
87.00777	6.4
89.02320	52.9
89.07716	0.8
93.03372	3.9
93.98267	0.7
95.01293	3.6
97.02850	3.9
99.00748	8.6
101.02328	65.8
105.01901	1.1
111.00774	8.2
113.02332	30.0
115.03948	2.4
119.03441	2.9
119.04975	1.5
121.02879	3.2
125.02348	8.4
129.01880	1.2
129.13959	1.0
130.04204	1.2
131.03410	27.2
131.04979	2.8
132.44539	1.0
134.03702	3.7
137.02353	1.3
143.03397	4.5
145.02934	0.9
145.06529	1.1
147.04477	0.9
149.04483	32.6
150.04884	1.1
151.11237	3.5
152.99580	2.0
159.02966	4.7
160.05275	1.7
161.04482	26.1
161.05835	1.9
165.05502	1.1
191.05577	8.0
192.05965	0.9
197.06052	1.1
209.11864	2.4
225.05624	1.7
233.06685	8.1
243.08174	1.0
249.09312	1.4
251.07263	1.8
261.09109	1.2
265.08728	1.9
267.10297	1.5
279.10522	1.6
293.08975	3.9
297.11389	5.8
313.16577	43.9
314.16849	4.3
361.12451	1.1
367.13678	1.6
373.12625	1.8
379.13535	1.4
391.13669	2.4
397.14780	2.7
409.14566	2.7
415.15463	5.8
427.15558	6.8
445.16742	7.1
445.21121	76.2
446.16556	1.4
446.21469	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	445.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26497	0.3
57.03320	0.4
59.01252	100.0
60.01578	0.8
70.42990	0.8
70.43629	0.3
71.01250	7.2
72.99191	0.6
73.02823	0.4
75.00744	0.6
78.95782	0.9
81.25234	0.3
83.01270	0.4
83.28111	0.3
85.02831	2.2
87.00748	1.7
89.01759	0.6
89.02316	12.3
93.03339	0.3
95.01289	0.7
96.96873	0.3
99.00780	0.6
99.04367	0.3
101.02321	3.9
113.02338	5.5
113.03075	0.4
115.00282	0.3
117.03376	0.6
119.03397	4.7
121.02841	0.7
131.03365	0.5
134.27797	0.3
143.03432	1.3
149.04451	0.4
152.99464	0.5
161.04488	1.8
179.05504	2.1
209.11728	2.6
214.98268	0.3
219.07790	0.8
244.41167	0.3
253.09076	0.7
267.76340	0.3
269.04556	10.7
270.04901	0.8
297.07596	0.4
299.03717	0.3
309.07889	0.4
327.12521	1.1
329.06314	0.3
339.12485	1.1
385.18796	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.9
69.40666	1.3
69.41096	2.3
78.95767	5.5
98.19797	0.6
110.98418	4.5
151.18114	0.4
152.28719	0.4
167.01064	2.0
185.02127	4.5
259.20688	0.4
275.20245	0.4
277.21707	100.0
278.22076	10.5
338.19818	0.4
445.23538	4.4
446.23950	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
62.08054	1.2
70.89941	3.3
71.01254	29.1
72.99174	4.2
73.02803	2.4
83.01228	1.9
83.04888	4.2
85.02821	4.9
87.00742	4.2
89.02319	38.4
92.24705	1.3
100.72105	1.4
101.02324	20.1
113.02335	12.7
119.03398	15.0
121.02855	2.8
121.06456	1.6
131.03375	3.1
138.06752	2.2
143.03380	2.7
147.06555	4.6
149.04424	1.8
151.07593	1.6
152.08302	2.2
153.09131	11.0
161.04456	8.8
179.05537	19.0
191.46346	1.3
205.12242	5.2
209.11757	3.8
223.13306	5.7
224.02249	3.0
283.09564	2.7
357.17953	2.7
380.35025	1.3
385.18753	8.0
453.92300	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	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31005	1.3
55.01753	1.8
57.03301	1.4
59.01249	87.5
70.39858	4.8
71.01251	25.6
71.04877	3.6
73.02822	9.2
83.01257	2.5
85.02815	10.4
87.00744	4.1
89.02311	16.9
95.01259	1.9
98.20509	1.4
99.00747	3.1
101.02330	15.5
111.00725	1.3
113.02314	11.4
115.05796	1.2
117.05452	28.5
119.03389	8.1
121.06475	3.2
122.05994	1.4
131.03375	6.2
137.09622	7.7
143.03403	1.8
147.04436	1.6
147.08052	3.2
149.05928	1.4
152.07060	3.9
153.07391	2.1
161.04436	16.5
161.09554	1.4
163.11195	36.0
175.11142	10.2
179.05606	3.1
187.11218	5.1
190.05055	2.9
191.05348	4.4
205.12267	100.0
206.12617	7.8
209.11803	3.5
221.06610	19.3
339.04883	1.6
355.12900	2.1
356.13220	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	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31396	1.7
53.57360	1.7
54.69825	2.1
55.01743	2.9
57.03308	7.0
59.01251	70.0
60.99160	1.9
62.24125	1.7
67.37286	1.8
69.40571	17.5
71.01252	46.4
71.04918	1.9
73.02831	12.9
75.00749	2.4
83.01261	5.4
84.59895	1.8
85.02827	28.5
85.03290	3.0
87.00751	11.0
89.02309	16.0
91.90430	1.8
95.01273	3.5
98.20605	3.4
99.00775	6.3
101.02328	29.7
112.53547	1.8
113.02321	20.8
117.05463	19.9
119.03373	7.7
121.06495	7.5
127.29419	2.0
137.09647	23.4
138.05563	2.4
153.20750	1.7
159.02885	4.1
161.04475	35.5
175.11244	8.3
177.12807	2.4
179.10716	5.2
187.11235	6.1
204.11464	13.9
205.12276	100.0
206.12546	6.6
209.11803	5.0
221.80055	2.1
229.12398	4.5
247.13382	7.5
259.13522	2.5
277.14566	4.6
277.27069	1.9
367.17502	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	445.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	2.8
58.00431	1.4
59.01248	100.0
62.55252	1.3
70.41002	1.2
70.91249	2.9
71.01251	30.5
73.02814	9.0
75.00755	2.4
81.03312	1.5
83.01263	2.6
83.04858	2.1
85.02823	10.6
87.00739	4.0
89.02306	19.7
93.03339	1.4
95.01278	1.6
99.00772	1.4
100.33720	1.5
101.02321	18.1
111.00747	3.6
112.45853	1.4
113.02331	11.5
114.36922	1.3
116.30311	1.4
117.05460	38.4
118.05741	1.5
119.03374	9.4
120.01212	2.0
121.06474	1.3
128.03429	1.7
131.03410	4.0
137.02357	2.0
143.03430	2.2
147.06487	1.7
147.08066	2.7
149.04486	1.3
161.04474	16.3
161.09602	4.6
163.11192	32.3
173.00789	1.6
175.11249	7.7
176.08348	1.5
177.12854	1.6
179.05540	5.7
179.10699	5.8
180.06540	1.7
187.11205	6.8
190.09920	1.7
204.11372	1.5
205.12271	85.7
206.12642	5.0
209.11757	36.9
210.12114	2.9
221.06587	18.6
223.13307	2.2
235.89725	1.3
253.09297	4.4
279.11121	1.5
314.50256	1.2
335.81470	1.5
367.17496	1.5
403.19901	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	1.9
62.96287	0.9
64.40029	0.4
69.26863	4.2
78.55240	0.4
78.95780	76.3
80.42553	0.4
82.64330	0.3
96.96851	6.8
101.05225	0.4
102.02277	0.4
103.17186	0.4
121.02773	0.4
134.98428	1.0
150.97923	1.6
151.21405	0.4
152.99498	100.0
153.99820	1.8
171.00574	1.3
223.16954	0.6
251.16606	0.8
288.40198	0.4
309.20767	0.8
371.16348	3.9
387.15970	1.0
427.18912	0.6
445.19977	41.5
446.20230	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	445.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.8
59.07344	0.4
61.74234	0.4
62.96283	0.4
69.26703	4.1
69.27110	0.6
73.01712	0.4
78.95779	75.4
96.95871	0.5
96.96842	6.9
99.72818	0.4
100.41507	0.4
106.09238	0.4
110.69299	0.4
121.02847	0.7
134.98444	0.9
150.97928	1.7
152.99498	100.0
153.98560	0.4
153.99831	1.4
155.20099	0.4
171.00587	1.0
193.61925	0.4
204.44466	0.5
223.17043	0.5
251.16446	0.8
260.79459	0.5
291.19730	1.3
309.20822	1.0
316.58859	0.5
371.16232	3.8
387.15714	0.6
445.19952	38.6
446.20236	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	445.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17216	0.3
50.58184	0.4
57.03328	0.4
58.00471	1.2
59.01249	100.0
60.01585	1.6
66.23576	0.3
66.30255	0.3
66.42823	0.4
66.94933	0.3
67.04199	0.4
70.79547	1.1
71.01253	16.8
71.26817	0.3
72.01607	0.4
72.99196	1.5
73.02816	0.4
75.00751	0.6
79.63979	0.3
79.83965	0.3
83.01247	0.5
83.04897	2.3
85.02808	2.3
87.00758	0.7
89.02316	30.7
95.01263	0.9
96.95863	0.4
100.29278	0.4
101.02326	8.1
109.23755	0.3
110.30107	0.4
111.00777	0.5
112.20555	0.3
113.02328	6.9
119.03384	11.0
131.03432	1.7
137.02365	0.5
143.03403	3.4
144.31679	0.4
147.06578	1.2
149.04504	1.3
153.01843	0.6
156.70850	0.4
161.04465	4.5
179.05534	18.6
180.05913	0.7
205.12302	0.9
209.11803	0.7
242.76720	0.4
308.16986	0.4
372.10739	0.4
445.21317	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	4.2
65.99720	0.6
66.00514	0.4
66.00838	7.4
68.02411	31.7
69.24507	4.1
69.24915	1.2
71.01236	0.8
80.04926	0.8
83.01278	0.4
89.02330	1.0
96.08109	0.6
96.95890	1.8
101.05972	1.6
113.02275	0.5
118.90255	0.5
126.99450	9.2
132.59592	0.5
151.98970	0.9
152.08206	8.2
153.09001	0.5
176.47870	0.5
180.13884	2.9
198.34430	0.6
208.02725	1.2
208.13345	8.1
209.11824	1.0
209.13692	0.7
212.12730	0.5
236.14005	100.0
237.14337	6.2
248.14082	1.6
249.14651	0.7
260.10254	1.2
261.11060	1.4
277.21613	1.4
289.17572	0.6
292.08560	1.0
311.16992	0.7
317.17291	5.2
325.76578	0.5
445.17575	44.8
446.17950	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	445.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28672	1.1
51.18442	1.0
54.01181	1.3
58.97385	1.2
59.01255	100.0
60.01609	1.6
63.07903	1.0
66.61253	1.1
71.57574	2.0
78.95778	12.0
84.69189	1.0
95.04897	1.1
96.95898	5.2
121.02876	3.7
149.00031	5.9
152.99474	7.0
173.22275	1.0
181.06635	1.2
205.15875	4.0
263.67667	1.1
277.21713	7.7
326.39484	1.6
355.16827	19.0
385.17868	11.4
387.22180	1.2
429.34937	1.3
445.19788	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	445.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	28.5
60.01558	2.3
68.81468	2.0
69.03314	3.4
69.94636	13.9
71.01260	3.7
71.04892	2.5
75.88074	2.1
78.95778	34.6
93.03323	16.5
96.95894	55.8
96.96860	10.5
117.03359	5.8
119.04875	9.8
121.02846	47.8
123.04408	13.8
124.56101	2.4
130.04132	5.0
131.04915	18.5
133.02858	13.1
134.03607	6.8
135.04346	2.8
143.04861	2.8
145.02850	9.4
145.06483	3.8
147.04413	9.1
147.07983	2.3
149.05922	7.2
152.99498	88.0
160.05188	3.3
161.05959	6.9
162.02097	2.4
162.03159	26.0
173.05966	3.5
195.13890	12.5
199.00447	2.4
207.13805	7.6
207.17387	5.5
209.11765	4.1
210.06764	6.7
211.07703	3.2
221.15388	5.6
223.07579	4.8
223.17003	33.6
225.10484	2.6
233.05977	2.7
233.15408	14.5
235.07640	3.4
235.17024	3.7
236.08150	4.8
237.09065	3.3
248.08466	2.8
249.09183	10.2
251.07088	6.6
251.16498	83.7
252.16896	6.3
263.10764	3.5
267.10138	9.7
268.10730	3.5
269.08154	10.5
269.11798	6.9
274.09100	2.3
279.10260	12.5
291.19678	13.9
295.09897	3.0
297.11365	16.7
309.20712	100.0
310.20953	9.5
318.76102	2.7
339.12360	5.6
349.12170	3.4
355.13351	4.2
367.13412	13.9
379.13260	6.4
385.14294	5.7
387.15860	3.7
397.14203	11.9
398.86621	2.2
409.14209	4.2
415.15433	33.7
416.15726	6.3
427.15518	40.6
428.15836	6.5
445.16089	63.5
445.20245	57.3
446.15872	3.6
446.20865	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90532	0.5
57.03334	1.0
59.01249	99.8
60.01584	0.7
68.46269	0.8
68.60390	0.6
70.02634	3.2
70.02914	0.9
71.01245	7.6
72.99162	1.3
73.02818	2.3
75.00750	1.0
83.01272	1.3
83.04903	1.4
85.02827	3.4
87.00770	0.7
89.02293	2.9
93.03337	0.6
94.45831	0.7
96.95871	0.6
98.20496	1.1
99.00763	0.9
101.02329	5.3
111.00751	0.7
113.02339	3.0
117.05459	100.0
118.05806	2.5
119.03416	1.5
121.78663	0.6
131.03491	0.7
133.04967	5.7
136.33365	0.7
138.05507	0.9
143.03487	0.6
147.06555	1.2
161.04454	6.1
163.11198	5.6
165.12704	0.7
175.11154	1.8
179.10744	1.0
179.65509	0.6
187.11198	1.3
205.12285	14.7
206.12527	0.8
209.11771	40.8
210.12146	2.3
221.06602	2.3
253.09184	4.0
279.10791	2.9
299.11252	2.0
299.85040	0.7
445.16452	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77280	0.6
58.00463	2.7
59.01239	2.2
65.10378	0.5
69.61852	3.4
75.00761	0.7
78.95756	0.6
87.62383	0.7
93.03349	1.4
107.04935	1.3
115.91945	1.2
116.93797	0.5
119.04938	1.6
121.02847	1.4
127.41781	0.7
130.04135	2.1
131.04033	1.0
131.04935	13.2
135.04405	3.7
147.04405	1.4
149.05992	0.6
165.05493	10.9
205.06544	0.7
209.11816	1.0
210.44376	0.6
211.07333	0.6
215.08653	1.3
223.07498	0.6
231.08115	4.2
232.01746	0.6
233.09680	2.3
241.06482	0.7
242.07379	5.8
243.08119	23.2
244.08449	1.7
249.09181	2.7
250.09802	1.5
261.09186	15.6
262.09570	0.9
266.43497	0.6
267.10242	9.1
268.10748	1.1
279.10284	26.5
280.10651	2.2
293.08063	0.7
297.11319	100.0
298.11658	9.3
379.13293	1.2
397.14487	1.6
409.14496	1.2
415.15521	2.2
416.15759	0.8
427.15472	6.5
428.16431	0.8
445.16513	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37597	4.4
59.01250	14.0
62.80338	4.2
69.94250	16.9
71.01248	5.1
93.03332	33.4
115.05372	5.2
117.63160	4.0
119.04937	6.0
121.02836	20.0
130.04124	16.6
131.04909	33.7
141.98154	22.8
143.04910	10.5
145.06461	14.3
146.03621	4.7
147.04475	12.9
147.17964	4.1
149.05997	9.7
152.99487	12.0
159.15662	4.7
161.05975	9.2
173.06044	7.6
178.84747	4.8
191.07088	11.4
197.05927	4.5
211.07605	7.0
223.07581	20.5
234.06584	4.3
235.07753	7.2
236.08215	4.7
237.09093	7.9
241.06483	10.0
241.08698	15.4
248.08388	4.9
249.09193	15.6
251.07082	6.6
259.07693	6.5
260.08389	7.4
277.08569	7.7
278.09772	5.9
279.10114	7.2
293.11884	6.3
297.11115	8.4
321.11453	21.1
355.13345	19.7
356.13324	5.6
367.13321	81.2
368.13800	5.4
379.13434	49.8
380.13483	7.9
381.14786	6.2
385.14468	13.0
391.13135	13.9
397.14429	50.5
398.14716	7.0
409.14386	31.2
410.14691	5.2
415.15488	100.0
416.15759	16.6
427.15491	85.4
428.15811	6.0
445.16547	79.8
446.17017	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	445.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	12.0
69.03316	16.0
70.65951	2.9
70.70025	11.0
72.42330	3.0
77.96108	3.6
78.95782	50.8
92.66797	3.3
93.03329	15.4
97.78591	3.5
99.00771	17.1
121.02847	80.2
122.03220	4.0
131.04970	7.9
133.06462	4.0
135.04361	4.7
140.01071	9.4
147.04419	4.0
147.08058	4.3
149.13243	3.7
152.99489	18.7
160.05246	7.0
175.07574	8.2
181.06493	7.4
193.12227	3.9
196.03703	19.8
205.12230	7.5
205.15869	6.9
210.06723	3.2
211.07599	4.1
214.04753	3.2
221.15407	7.4
225.05629	3.4
231.13841	17.4
237.09154	5.5
239.07076	17.8
239.11938	4.8
249.09271	6.4
249.14937	100.0
251.07098	36.6
251.10796	3.8
278.60306	4.1
279.10162	5.6
283.10852	3.9
290.62546	3.5
291.10309	8.7
297.11334	7.8
309.20499	3.7
355.13358	5.1
357.09570	4.6
367.13528	20.6
379.13538	7.1
385.14365	23.6
397.14398	15.7
398.14789	4.0
415.15448	32.3
416.15839	5.1
427.15430	54.4
428.15741	10.5
445.16055	20.8
446.19473	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35635	2.3
67.01188	2.4
71.38210	5.1
72.49528	2.7
80.29852	2.6
93.03346	3.5
115.05379	5.8
119.04923	6.6
130.04158	3.5
131.04922	18.0
143.04904	8.7
165.05466	5.9
171.04642	3.1
223.07622	3.6
231.08124	7.4
233.06148	3.6
237.09282	4.2
242.07413	4.7
243.08104	18.6
249.09236	7.2
259.07590	6.5
260.08328	3.9
261.09186	11.2
267.10257	7.4
279.10162	14.5
297.11343	46.7
298.11673	6.0
337.12177	2.9
349.12390	14.3
355.13412	4.6
360.11411	3.1
361.12341	20.3
367.13373	24.2
373.12338	8.2
379.13474	35.4
380.13828	5.2
385.14249	12.3
391.13467	15.7
397.14459	45.5
398.15009	5.9
409.14557	15.2
415.15527	100.0
416.15823	11.3
427.15482	92.7
428.15781	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	445.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	4.1
67.07004	1.1
70.19498	2.5
70.19907	3.9
78.95795	5.5
93.03345	5.7
96.95908	3.6
107.04914	1.3
107.84479	1.3
119.04916	2.8
121.02848	77.1
122.03206	2.0
130.04085	1.3
131.04922	3.8
135.04405	2.0
145.06525	2.3
147.04413	4.1
152.99518	1.9
205.06497	1.5
210.06924	1.8
221.05971	1.3
221.72142	1.6
223.07616	2.3
223.11334	1.8
233.06064	6.4
235.07773	1.8
237.09181	2.5
249.09258	3.5
251.07111	18.6
268.07269	2.1
269.08188	3.1
279.10056	1.9
297.11447	2.1
327.22058	1.4
339.12421	6.4
347.10883	1.4
349.12390	5.0
353.11996	1.3
355.13467	4.6
366.12534	1.9
367.13361	20.7
368.13797	1.4
379.13840	2.0
397.14523	2.1
409.14383	4.2
415.15573	19.8
416.15631	2.5
427.15488	100.0
428.15967	10.1
431.63956	1.2
445.16568	24.5
445.23367	2.5
446.18463	1.6
453.75418	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	445.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	3.3
61.21791	0.5
67.01769	0.6
69.86702	3.1
71.01238	0.6
78.95789	2.9
84.02033	0.7
85.02865	0.7
91.01778	0.8
93.03352	3.8
95.01284	0.6
96.95925	0.7
100.66106	0.6
100.71238	0.5
108.02049	1.4
119.04924	1.7
121.02847	100.0
122.03161	3.2
126.99464	1.4
131.02644	0.6
131.04932	3.0
134.03603	1.0
135.04434	0.7
136.01572	15.6
137.02377	6.4
143.04922	1.4
145.02873	0.7
145.06502	1.6
146.03685	1.5
147.04463	2.5
149.05998	1.4
152.99498	3.4
159.04510	0.6
160.05270	1.2
161.05928	0.8
162.03110	0.8
163.03923	0.9
165.05534	0.6
171.10236	0.6
173.06004	1.1
181.06499	1.7
223.07690	1.0
225.05563	1.4
226.06288	3.7
233.05983	0.7
238.06345	0.7
239.07155	0.9
241.08760	0.8
243.08112	1.4
247.07300	0.6
249.09259	0.8
251.07181	3.8
252.07837	1.5
258.05304	1.3
261.09253	0.9
267.10257	1.5
269.08179	60.8
270.08536	4.4
277.08762	1.1
279.10156	2.6
291.10300	0.7
293.11847	1.3
295.09656	1.4
297.11316	5.4
312.09979	1.2
313.07217	4.8
329.23343	1.7
349.12305	1.2
355.13385	1.5
367.13367	2.7
375.22244	0.6
385.14383	2.5
397.14371	2.2
399.15958	1.5
415.15482	9.0
416.15854	1.1
427.15512	18.1
428.15744	1.6
445.11227	4.6
445.16507	44.0
446.16809	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	444.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	5.6
65.44438	1.3
69.18794	1.4
69.77223	1.3
71.01279	1.7
71.57665	2.5
72.99177	9.7
75.00747	11.8
76.87708	1.4
89.02306	1.8
101.02328	1.6
111.00770	2.6
111.69331	1.6
115.08647	2.0
119.03426	1.7
123.04345	2.2
130.08717	2.3
131.03378	1.8
132.06602	3.6
133.04961	100.0
139.49521	1.5
149.02365	6.8
156.10722	1.4
167.03473	2.0
173.00815	1.8
206.04492	3.3
227.98543	1.6
267.09891	5.9
383.19345	3.5
445.13382	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	444.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	5.4
68.12053	5.5
70.86849	5.8
71.48031	5.4
71.56861	12.4
71.57220	5.9
72.99184	13.9
75.00750	17.8
92.26889	5.6
95.87698	6.0
99.00758	6.7
105.52685	5.8
133.01469	12.6
133.04971	100.0
147.75562	5.8
148.04243	40.9
150.04111	25.7
158.63847	6.0
191.15442	5.6
378.12216	5.9
441.32297	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	445.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.2
55.53142	0.8
57.03307	1.5
58.00472	4.5
59.01248	68.4
65.00195	1.2
69.70246	6.2
71.01248	48.0
71.04893	6.8
72.99179	5.6
73.02801	1.9
74.02364	1.0
83.01258	3.0
85.02818	8.9
87.00764	2.8
89.02314	53.7
90.02631	1.3
91.01768	8.2
95.01258	6.1
96.95916	1.0
98.19831	1.2
101.02312	30.9
102.46287	0.9
107.01263	2.1
108.02064	3.5
111.00773	3.1
113.02318	21.5
114.02723	1.4
119.03386	26.6
123.00771	2.9
123.04405	27.8
124.04716	1.2
125.02349	2.3
128.03421	3.0
131.03360	1.2
133.58870	0.9
135.00778	5.8
135.54759	0.9
136.01556	2.2
143.03386	2.6
143.04546	3.2
149.04492	1.4
151.00368	1.2
151.03915	2.3
152.01083	3.7
161.04515	1.5
162.06793	1.2
163.84505	0.9
166.02599	1.2
166.99719	1.7
167.03403	55.1
168.03752	1.9
178.06242	3.0
179.05560	2.8
191.03427	1.4
193.08626	1.2
206.05768	32.4
207.06111	1.3
209.04460	3.6
209.11781	3.0
221.08125	100.0
222.08533	6.1
254.07777	1.2
269.06393	1.1
272.08908	1.7
277.09259	13.6
295.10318	70.6
296.10736	3.2
346.73383	1.0
401.14499	4.3
427.21658	1.2
445.13107	11.2
445.18781	1.2
446.13562	1.5
447.06772	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1352
Annotation	6-O-Benzoylsucrose
Peak:m/z	Relative Intensity
56.71845	1.4
57.03322	45.1
59.01251	71.7
69.03325	1.9
70.79749	2.9
70.80101	2.2
71.01254	34.0
72.99182	2.4
73.02809	11.0
73.91752	1.2
75.00744	14.2
78.95798	1.5
83.01244	5.0
83.04897	1.6
85.02827	7.7
87.00734	2.4
87.21566	1.3
89.02315	22.9
91.88600	1.4
93.03342	13.7
94.03625	1.3
96.76781	1.4
96.95895	1.7
97.06429	1.7
99.00735	2.3
99.04393	23.7
101.02323	30.1
107.04910	3.5
108.02107	1.8
113.02346	12.4
115.29880	1.5
119.03399	7.5
121.02843	100.0
122.03201	2.1
123.04391	6.4
125.02345	8.7
131.03377	2.2
133.04984	2.1
138.12520	1.7
139.03929	7.0
143.03412	4.0
145.05270	1.4
149.04433	2.9
159.02948	1.7
161.03186	2.8
161.04469	36.4
177.87875	1.5
179.05513	21.2
179.10681	3.2
183.74982	1.6
194.92471	2.9
205.12224	2.7
209.11742	11.9
233.50972	1.4
251.04942	1.4
253.09105	2.3
255.02908	1.7
263.07559	8.0
271.02454	3.2
300.02725	4.6
301.09253	7.9
323.09808	18.5
324.09869	2.1
360.12625	1.5
445.07538	6.3
445.13904	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	444.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31740	9.3
56.14640	9.5
58.02846	9.5
59.01258	52.7
62.40173	10.7
69.92458	38.0
70.71020	10.7
71.01262	33.3
74.02344	22.3
75.00747	14.4
76.09023	9.7
81.02064	11.4
83.57024	9.3
85.02809	11.0
86.02351	22.3
89.02338	19.2
99.05533	14.0
101.02327	26.7
113.02321	14.6
128.03432	72.5
137.00575	27.9
137.02341	15.6
140.09105	11.3
143.04515	51.2
145.06087	27.6
152.27448	9.1
153.00052	17.8
153.36884	10.8
160.00682	13.9
171.01149	10.8
171.07669	21.4
174.90144	9.6
179.04543	12.2
210.08766	10.0
227.05196	9.5
244.09279	10.0
254.07874	16.8
272.08859	42.4
276.44952	9.7
304.06070	66.1
305.08917	11.2
306.07602	32.8
411.10730	10.2
443.18906	28.8
444.19662	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	444.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02844	7.2
58.05780	0.9
59.01253	3.8
66.03362	1.2
69.84018	7.1
71.01258	2.1
71.44910	1.1
74.02351	15.5
78.95789	2.0
82.02863	1.6
86.02354	6.7
87.05526	3.6
89.02332	1.7
94.52041	1.1
97.03978	4.1
98.20564	1.6
99.05515	15.4
100.00266	3.0
101.02339	1.8
101.07081	2.7
102.00027	1.5
105.99518	2.6
109.03947	1.3
110.05937	1.0
112.03911	1.0
113.03424	1.0
128.03427	50.4
129.03833	1.5
135.05576	3.5
138.05507	3.6
140.79623	1.0
141.06616	2.8
143.04524	58.2
144.04857	1.8
145.06111	3.5
146.04510	4.9
153.06616	2.7
166.09735	3.0
167.04556	2.9
167.08130	1.3
169.06166	1.2
175.01729	3.0
179.04530	9.1
181.06111	1.6
185.05682	2.5
197.05617	2.3
209.11784	1.5
210.08823	8.5
254.07822	15.0
272.08890	100.0
273.09213	3.9
304.06064	23.5
313.65302	1.2
338.04861	33.3
339.05048	2.5
444.19366	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	443.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53337	3.3
60.15518	3.4
61.79712	3.0
71.57166	4.1
73.64422	3.0
91.75152	3.2
151.03899	10.5
159.79617	3.4
180.04192	10.6
221.08151	5.8
235.09714	70.7
236.10345	23.9
249.11328	4.5
254.59116	3.5
266.27356	3.8
289.24741	3.8
340.87073	4.0
443.28012	100.0
444.28308	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	443.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14228	6.7
66.40569	7.5
72.87610	7.0
74.44733	6.5
98.20657	15.3
112.27590	7.7
151.03902	13.2
217.42804	7.5
219.03571	7.3
221.58887	8.6
229.23393	7.4
229.58757	7.3
235.09634	59.2
236.50957	7.4
369.90967	9.8
443.27975	100.0
444.28235	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	443.2801
Annotation	Foetidinol
Peak:m/z	Relative Intensity
50.05615	0.7
62.97304	0.7
70.09288	2.6
72.27450	0.7
91.15518	0.7
107.04903	1.0
109.70113	0.7
123.04377	2.3
125.05972	4.9
151.03914	9.4
152.04619	1.0
165.05556	0.8
177.01918	1.1
179.03404	3.2
180.04199	8.6
191.10689	0.7
203.10803	0.7
207.10178	1.3
208.07394	0.8
217.08549	3.4
221.08125	6.4
222.08846	1.8
223.53310	0.7
233.08287	1.3
235.09697	83.4
236.10394	25.2
237.10782	1.4
247.09723	3.5
249.11310	5.8
254.55095	0.8
315.32083	0.7
374.20633	1.1
386.23648	0.8
443.27969	100.0
444.28305	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35114	3.1
54.76558	3.0
57.03305	4.5
57.90990	2.9
59.01249	100.0
65.18762	3.2
65.99721	4.1
68.02408	3.2
71.01258	20.8
71.57690	4.9
72.99170	14.0
73.02827	6.3
81.03308	4.0
83.04922	3.9
85.02809	22.7
87.00774	4.7
89.02315	29.4
93.03337	5.1
101.02308	15.1
109.02793	4.3
111.00765	88.5
113.02326	14.2
119.03381	9.8
121.02849	9.0
123.04398	6.0
125.02299	3.8
128.03438	6.8
129.01790	4.5
130.46571	3.9
131.22054	3.6
132.26451	3.5
135.04372	6.1
137.02292	6.5
138.05479	14.1
143.04543	8.6
151.03874	5.7
154.99751	11.4
157.97681	37.9
161.04420	5.8
163.03928	5.6
173.00804	32.3
174.05304	4.3
179.05499	15.0
191.01958	17.9
204.04141	3.9
209.11804	32.1
240.01770	18.9
253.09233	4.3
254.97365	3.6
270.06140	11.9
272.08990	8.3
380.38300	3.7
425.06583	3.9
452.98016	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20584	0.9
59.01254	100.0
70.01890	4.9
78.95774	3.0
79.30690	1.0
94.57297	0.8
152.99478	3.8
153.76642	0.9
182.11456	0.9
185.11673	1.2
238.06316	5.5
239.07018	2.9
251.16563	1.4
291.19672	4.2
309.20712	10.0
443.18872	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63760	1.7
59.01253	100.0
63.31148	1.6
70.67349	3.4
70.67757	3.3
78.95783	3.7
79.23641	1.7
91.03907	2.3
94.89300	1.8
96.95858	1.9
145.02841	2.3
152.99515	6.0
163.84691	1.7
169.69299	1.7
197.11708	2.4
291.19540	3.4
309.20612	10.0
325.08942	2.7
328.60727	1.8
357.18201	1.9
382.78882	1.8
383.13138	2.4
427.87271	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	443.265
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72177	0.6
59.01249	100.0
60.01580	0.9
69.60883	1.0
69.61294	3.8
71.01262	0.7
91.03870	3.2
96.27169	0.6
96.95905	1.0
98.19888	1.4
104.62286	0.6
109.06505	0.8
111.08106	0.9
126.05308	0.8
135.04578	0.6
197.11790	2.3
239.10707	5.5
291.19608	4.0
309.20737	10.8
310.21161	1.3
444.27548	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	443.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26653	0.5
52.06712	0.5
55.80347	0.4
59.01249	100.0
60.01587	0.6
70.93499	1.3
72.74567	0.4
91.03863	1.0
96.12026	0.5
99.56229	0.4
111.08092	0.9
158.23164	0.4
169.14848	0.5
197.11716	2.5
291.19687	3.4
309.20648	6.5
355.28934	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41554	1.0
59.01252	100.0
65.03831	3.9
71.04906	1.5
71.06464	2.7
78.95788	2.7
81.37346	1.1
93.03346	11.2
95.87160	1.2
96.95879	1.5
97.06467	3.2
99.73820	1.2
104.15587	1.1
121.02801	3.5
121.06500	5.4
125.09599	2.3
131.04889	1.2
133.02853	2.4
143.04907	1.2
147.04408	1.5
147.08023	1.2
152.99524	8.0
157.06577	1.2
161.05991	1.6
171.10165	1.3
173.05951	1.5
180.66048	1.1
185.11728	2.4
209.11650	1.1
222.06744	1.0
223.07596	2.8
235.13426	5.3
238.06332	2.0
239.07051	7.6
251.07185	5.9
251.16405	1.5
252.07784	1.5
267.06671	5.0
279.10135	1.9
291.19498	2.2
295.09647	1.4
307.09769	1.8
307.19141	4.2
309.20679	13.8
318.08319	1.1
319.09790	2.6
338.61322	1.0
355.13388	1.5
367.13376	2.8
385.14279	2.0
395.12790	1.7
397.14539	1.4
413.13934	12.3
414.14188	1.9
425.14072	11.5
426.14124	1.8
443.14603	24.3
444.15414	4.7
448.77716	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	0.3
57.03330	0.5
59.01249	100.0
60.01576	1.0
71.01255	3.5
72.86217	0.3
72.99174	1.6
73.02828	1.4
75.00748	5.3
83.01229	0.7
85.02808	2.1
89.02328	1.0
93.03322	0.5
96.95913	0.9
99.00751	0.6
101.02341	2.6
103.91903	0.4
109.06544	0.4
113.02315	1.7
119.03401	0.3
133.04956	11.1
151.08882	0.4
161.04466	0.4
165.12804	0.9
171.10260	1.2
177.57295	0.3
179.10725	0.4
207.10263	1.3
211.13385	0.4
217.10863	0.6
225.11281	0.8
243.12329	1.7
265.05392	0.7
282.12393	0.3
283.06409	2.6
291.19727	0.4
309.20660	2.0
318.89615	0.3
327.21732	1.3
353.19107	0.7
371.20203	1.1
383.15222	2.5
401.25644	1.5
443.18707	0.9
443.26910	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75077	1.5
59.01250	100.0
61.18447	1.7
66.16899	1.7
71.57739	1.9
78.95791	9.3
82.92698	1.5
87.45332	1.5
96.95887	3.0
99.12009	1.9
152.99483	20.4
191.41508	1.6
261.11032	1.9
262.11804	3.2
273.58057	1.8
308.92905	1.6
309.20660	3.5
331.18805	3.2
339.11154	1.7
355.89130	1.7
358.55676	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	443.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
71.57963	1.4
77.00661	1.1
78.95778	48.9
83.50339	1.2
89.65892	1.1
96.96822	5.9
97.01240	1.2
108.79979	1.2
124.01282	1.2
142.01480	1.2
148.65927	1.2
150.97894	2.4
152.99498	84.8
153.99850	2.5
171.00510	3.8
209.11740	2.2
232.50819	1.5
265.73096	1.2
291.19608	2.2
309.20639	3.6
348.47488	1.4
374.76257	1.3
411.86142	1.4
443.18591	2.8
443.27490	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	443.1923
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01754	2.0
57.03312	1.9
59.01255	35.8
59.07170	1.2
67.26965	1.3
70.98214	1.3
71.01258	28.7
71.12430	2.2
72.99174	3.5
73.02822	5.3
79.91109	1.1
80.38107	1.4
83.01264	3.6
83.04872	1.3
85.02814	11.7
85.41184	1.2
88.33716	1.1
89.02319	18.4
95.01247	2.6
96.95884	5.0
99.00764	1.8
101.02320	20.4
113.02329	13.6
119.03419	8.2
121.06465	1.3
125.53793	1.2
137.41599	1.2
155.37210	1.2
158.01521	1.3
159.46185	1.2
179.05460	1.3
219.13791	1.3
232.40172	1.4
393.09079	1.2
443.19211	100.0
444.19608	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	443.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	6.7
69.77410	2.1
69.77837	3.4
71.01270	0.8
78.95776	10.3
88.46545	0.8
98.20623	1.3
110.98412	7.6
151.07584	1.9
152.99449	2.5
167.01062	3.7
181.07335	0.8
185.02126	9.5
231.21127	6.3
235.40157	0.9
275.20151	100.0
276.20514	9.5
300.87753	0.8
302.67197	0.9
317.10602	0.9
332.88550	0.8
443.22009	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	443.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00462	6.2
59.01252	100.0
59.53481	3.4
66.75613	4.0
71.01263	27.4
71.57244	5.5
72.99183	7.0
73.02821	14.8
78.49246	3.3
78.95779	10.3
85.02823	24.0
89.02321	28.2
93.03339	16.8
101.02362	21.8
103.03891	18.3
115.05434	3.7
115.92031	4.2
119.03375	8.8
119.04923	15.5
121.02838	11.3
127.03908	4.8
131.04930	7.1
143.04912	4.0
145.04999	5.3
147.04424	10.8
152.99516	6.5
156.59314	3.4
162.89282	11.7
163.06088	6.9
173.06056	3.6
195.13846	4.5
201.11203	3.5
213.14958	5.5
215.15408	3.5
237.84581	4.1
249.09212	47.7
253.08507	4.5
261.09195	22.5
263.10754	5.0
265.08582	10.0
279.10303	9.5
282.11011	3.8
306.88736	4.2
321.11377	7.9
383.12674	6.2
395.12576	4.6
407.44757	4.3
413.15448	5.5
425.15988	18.7
443.14700	49.6
443.19910	4.3
443.23740	7.6
444.15466	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42426	1.4
55.01733	1.8
57.03323	2.2
58.00449	5.3
59.01248	100.0
59.98368	1.4
60.01543	1.3
68.52757	1.4
69.70471	7.0
71.01249	76.5
72.99152	6.9
73.02817	3.9
73.25612	1.2
78.17783	1.4
79.05417	3.5
80.96384	1.7
81.03333	4.0
83.01252	3.4
85.02815	17.3
87.00742	2.6
88.57206	1.3
89.02312	85.3
93.03336	1.8
95.01249	4.4
95.04885	4.9
96.95866	3.6
98.19740	1.5
99.00737	1.6
99.03828	1.7
99.04375	9.3
101.02322	37.4
101.25904	1.4
106.04130	1.8
107.04909	7.6
109.06465	1.7
111.00764	10.0
113.02321	25.8
113.05953	2.0
119.03391	31.4
124.92413	1.5
125.02355	2.2
131.03387	2.6
139.07466	3.4
143.03378	3.1
149.04405	3.7
149.66541	1.8
159.11679	3.2
161.04462	4.3
161.09746	1.3
169.10194	2.8
173.00839	3.9
179.05536	6.9
185.09595	2.2
187.11205	53.5
188.11501	4.5
192.94548	26.4
219.13826	18.8
220.14223	2.4
221.79279	1.6
231.10156	5.7
263.12848	39.7
264.13095	4.3
302.83984	1.8
327.21680	2.3
443.22861	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	443.156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.6
57.03326	100.0
58.03655	2.2
59.01250	73.2
71.01255	16.2
71.57933	1.3
72.99176	1.2
73.02809	6.3
75.00770	1.4
80.90632	1.0
81.03319	1.7
83.01254	6.2
85.02824	10.7
86.67126	1.0
89.02318	1.1
93.03345	2.1
95.01291	0.9
96.95860	1.0
99.00759	2.2
99.04397	79.3
100.04731	2.3
101.02323	30.9
102.02683	1.2
111.00761	2.0
112.93616	3.6
113.02325	9.3
121.02843	1.9
124.51327	0.9
125.02320	19.3
134.03632	1.1
137.02371	3.4
138.01819	1.3
143.03423	1.4
161.02419	1.2
161.04456	7.7
193.05099	1.4
299.11371	23.1
300.11816	1.9
443.15375	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1501
Annotation	Chlorohyssopifolin D
Peak:m/z	Relative Intensity
52.26502	0.6
58.09805	0.5
59.01256	11.4
71.45006	1.0
71.45348	0.6
71.88851	0.6
88.48929	0.5
93.03340	13.2
94.03701	0.6
95.04904	1.0
105.03347	1.1
106.04139	1.2
117.03345	4.6
119.04913	2.1
121.02847	12.6
123.04420	14.3
130.04092	1.2
131.04895	1.4
133.02856	19.6
134.03654	7.7
143.04942	0.7
145.02861	8.4
145.06557	2.8
146.79314	0.6
147.04405	2.3
147.08060	3.1
156.05714	2.5
157.06487	3.4
159.04439	2.5
160.05219	12.7
161.05838	1.3
161.64250	0.7
162.03148	22.7
163.03526	1.1
166.26587	0.6
173.06056	1.5
175.07578	2.2
210.06822	1.5
211.07539	2.9
223.07616	0.9
232.10492	0.6
237.09114	0.8
238.06287	4.2
239.07074	3.6
251.10710	0.8
251.16551	1.8
252.07837	1.1
265.08688	0.7
267.06622	16.4
267.09723	1.2
268.06976	1.4
278.09418	0.8
293.08365	0.7
307.10013	0.9
309.20825	3.6
367.13272	1.0
369.14804	0.7
371.44897	0.7
383.12781	1.2
395.13101	0.8
413.13980	10.7
414.14429	1.1
415.14938	0.9
425.13855	5.7
432.66974	0.6
443.15015	100.0
444.15286	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	443.15
Annotation	Chlorohyssopifolin D
Peak:m/z	Relative Intensity
54.95133	0.3
59.01229	0.4
68.31822	0.2
69.03324	2.7
70.63620	1.1
71.01250	0.3
72.79892	0.3
78.35997	0.3
78.95766	0.4
93.03336	2.8
98.19872	0.4
107.04887	0.3
119.04926	1.2
121.02847	34.1
122.03199	1.0
131.04959	0.3
143.04887	0.8
145.06502	0.9
147.04398	1.9
160.05197	0.5
173.05984	0.4
193.06450	0.4
219.08017	0.4
221.06004	1.8
223.07581	0.8
234.06830	0.9
237.05469	0.7
238.06335	0.3
239.07085	0.8
239.10690	0.4
243.08119	0.4
247.07671	1.3
248.08221	0.3
249.05537	1.4
249.08919	0.3
251.07149	2.5
252.07877	3.1
256.35068	0.3
261.09256	0.8
265.08746	2.7
267.06604	4.7
268.07278	0.4
273.09351	0.4
277.08771	0.9
279.10446	0.3
284.06854	3.3
289.08685	1.2
291.10147	0.4
293.08215	0.7
295.09689	0.3
306.09308	0.4
307.09879	0.7
319.09515	0.3
321.11484	1.3
327.21683	0.7
335.10635	0.6
337.12225	2.6
353.11783	0.8
354.12509	3.6
355.13403	1.5
365.11722	1.3
377.11984	0.3
382.11972	3.5
383.12860	11.4
384.13187	1.2
395.12970	1.1
396.13113	0.3
413.13815	1.9
414.14465	0.4
425.13864	1.3
426.14365	0.4
443.14990	100.0
444.15338	13.9
444.21774	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00469	4.2
59.01255	3.0
67.64137	0.5
67.99413	0.4
71.01260	2.7
71.57207	0.6
72.76357	0.5
73.02837	0.7
85.02827	0.6
93.03330	2.3
94.68833	0.4
101.02337	0.7
106.69304	0.5
107.04923	2.4
115.00225	0.8
116.66751	0.5
117.03336	0.7
119.04934	5.2
133.01300	0.7
134.03635	2.8
135.04428	10.7
136.04811	0.6
147.04437	6.5
165.05499	30.8
166.05823	1.0
171.10141	0.7
219.08133	0.8
223.07582	0.6
224.08353	2.2
229.14583	0.8
230.07365	0.8
231.08131	6.3
232.08549	0.5
237.09280	1.3
239.10760	6.7
240.11073	0.9
247.07610	1.8
248.08434	0.6
249.09145	1.6
258.79666	0.4
259.07654	9.0
260.07999	0.8
263.07254	1.4
265.08676	2.4
266.09415	0.7
277.08698	10.3
278.09152	0.7
291.06943	0.6
291.10330	0.8
293.08255	0.7
294.09100	1.1
295.09763	100.0
296.10098	8.3
327.21707	5.8
413.13657	0.7
425.13815	1.8
443.14987	3.6
443.22687	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	443.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.9
57.03358	1.2
59.01255	14.4
69.95346	1.0
71.01257	14.9
71.57539	1.7
71.57913	1.2
72.99203	2.7
73.02825	5.2
78.95782	4.2
83.01260	5.1
85.02827	7.8
85.99973	2.1
87.00743	1.8
89.02303	3.7
93.03334	27.1
101.02322	9.0
111.00764	1.5
113.02338	3.5
119.04842	1.4
130.04161	1.6
131.04929	1.6
133.06480	1.2
143.04901	4.6
151.07596	7.2
171.10162	1.3
175.07565	4.3
219.08179	4.0
234.06935	1.7
235.07585	10.1
236.08400	11.9
237.09167	90.3
238.09538	4.4
263.07123	25.2
263.10233	1.5
263.11105	1.5
279.10281	4.3
281.08212	71.9
281.11832	62.5
282.08768	5.9
282.11914	5.7
282.15790	1.1
443.17139	100.0
444.17651	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	443.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.9
57.03358	1.2
59.01255	14.4
69.95346	1.0
71.01257	14.9
71.57539	1.7
71.57913	1.2
72.99203	2.7
73.02825	5.2
78.95782	4.2
83.01260	5.1
85.02827	7.8
85.99973	2.1
87.00743	1.8
89.02303	3.7
93.03334	27.1
101.02322	9.0
111.00764	1.5
113.02338	3.5
119.04842	1.4
130.04161	1.6
131.04929	1.6
133.06480	1.2
143.04901	4.6
151.07596	7.2
171.10162	1.3
175.07565	4.3
219.08179	4.0
234.06935	1.7
235.07585	10.1
236.08400	11.9
237.09167	90.3
238.09538	4.4
263.07123	25.2
263.10233	1.5
263.11105	1.5
279.10281	4.3
281.08212	71.9
281.11832	62.5
282.08768	5.9
282.11914	5.7
282.15790	1.1
443.17139	100.0
444.17651	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	443.15
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.7
68.04805	0.6
68.52153	0.6
69.23376	7.1
69.23774	1.0
71.01270	0.6
73.63181	0.7
78.59355	0.7
101.15082	0.7
115.05431	3.3
115.75445	0.7
119.04937	2.2
130.04126	1.8
131.04936	1.8
133.06477	0.8
143.04994	4.0
145.06456	1.1
147.04422	14.0
155.04984	0.8
187.03935	1.9
193.06448	0.9
195.08051	0.7
207.08086	0.7
217.06570	0.7
219.08136	1.8
221.06009	2.0
223.07671	1.3
231.08138	2.3
235.07738	1.5
237.05324	0.8
239.07132	2.5
247.07632	2.9
248.08165	0.9
251.07080	3.0
259.07620	8.1
260.08008	0.7
260.12842	0.6
261.05292	0.7
265.08694	6.5
276.07953	2.4
277.08670	4.2
278.08893	0.8
279.06598	1.1
323.10611	1.2
333.09149	0.7
335.10843	2.1
337.12317	3.2
347.10715	1.8
348.11578	1.2
349.12360	6.4
350.12973	0.9
351.10193	1.1
355.13522	1.0
359.10654	1.0
361.12375	2.3
365.11752	8.4
366.12430	1.1
367.13635	1.7
369.10968	0.9
375.10138	1.6
376.10831	0.7
377.11816	15.9
378.12201	2.0
379.13336	3.9
383.12866	25.1
384.13220	2.5
389.11780	9.7
390.12637	0.9
395.12857	55.6
396.13199	6.7
397.14426	2.1
407.12888	9.8
408.13239	1.2
413.13950	100.0
414.14246	14.2
425.13925	90.6
426.14273	12.9
443.14938	8.3
444.15305	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.9
63.12406	0.5
69.35200	4.7
83.01299	0.6
87.00790	0.6
89.03812	0.6
105.01816	14.3
106.04168	0.5
108.16055	0.5
117.03328	5.2
128.18430	0.5
132.02089	1.5
133.02843	23.4
134.03629	58.3
135.04373	4.5
149.05992	5.0
160.01526	0.7
161.02348	100.0
162.02657	4.6
168.73248	0.5
175.03915	1.4
178.02647	0.9
179.03392	2.2
193.04985	81.5
194.05324	4.4
201.04347	0.5
205.04982	7.7
267.05112	4.6
281.06665	20.8
282.06897	1.4
320.46771	0.5
437.08304	0.6
443.15942	0.6
443.27823	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.8
60.33934	0.2
61.14003	0.2
67.01757	2.6
68.02107	0.3
71.01250	0.5
71.51992	0.2
71.58456	0.4
72.56789	0.2
72.99181	2.9
74.66757	0.2
79.99702	0.2
83.01264	3.1
85.02821	17.7
86.03167	0.5
93.03336	0.2
99.00748	0.8
101.02343	1.8
102.98481	0.4
111.00761	100.0
112.01104	2.5
119.04890	1.1
120.99506	0.2
124.63152	0.2
129.01837	5.5
131.85152	0.2
154.99763	15.0
156.00157	0.4
163.03905	0.5
173.00827	33.5
174.01167	1.0
179.30447	0.2
191.01936	1.0
211.13496	0.2
221.08191	0.2
241.32387	0.2
270.64566	0.2
277.41214	0.2
345.14172	0.2
443.22775	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	11.6
59.01252	11.1
61.98731	0.2
65.03829	0.3
69.69045	0.9
69.69447	0.6
71.01249	3.3
72.99165	0.3
73.02828	0.4
75.00766	0.3
81.03332	0.3
81.32053	0.2
83.01257	0.5
85.02822	1.5
88.53714	0.3
89.02316	1.8
91.02718	0.3
93.03336	51.8
94.02849	0.3
94.03677	1.5
99.04395	10.2
100.04732	0.2
101.02325	4.5
111.00784	0.3
113.02328	1.4
119.03385	0.5
121.02837	0.9
123.04434	0.8
125.02337	4.8
135.04396	0.3
137.02342	100.0
138.02673	3.7
141.05516	0.3
141.37743	0.3
143.03398	1.0
148.04178	0.3
151.03947	1.6
154.09790	0.2
161.04471	2.0
179.03366	1.6
191.02010	0.4
203.05569	1.8
209.04515	0.5
243.08662	0.6
263.07077	0.4
281.08209	0.4
299.07751	0.5
305.08762	8.9
361.79761	0.3
443.13745	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2596
Annotation	Spiramine E
Peak:m/z	Relative Intensity
54.44723	0.5
55.34161	0.5
59.01259	3.7
60.84227	0.5
66.03362	13.8
68.02409	1.0
71.29544	0.6
71.29857	0.8
75.39098	0.5
80.04935	1.8
80.33793	0.5
108.04448	1.4
109.06473	1.9
111.08059	1.8
113.09592	1.0
119.04914	11.1
126.99487	1.7
139.07558	0.7
140.96892	0.7
157.08607	27.8
158.08920	1.0
161.01039	0.6
162.12794	2.3
164.10722	85.9
165.11067	5.2
168.49454	0.6
177.11517	1.9
178.06123	1.1
178.12276	5.7
188.10751	0.7
203.13074	2.7
204.10185	0.8
206.11778	3.0
209.10518	3.2
218.05336	4.2
223.08516	0.7
258.18610	0.8
260.20163	17.3
261.20425	0.8
284.16586	0.7
286.18112	7.9
304.19180	36.7
305.19452	3.1
322.20078	1.0
398.20801	0.6
442.25974	100.0
443.26312	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	443.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	5.3
63.40689	0.3
67.01765	2.7
67.75648	0.3
69.44453	2.7
71.01262	1.0
72.28068	0.3
72.99179	3.4
73.02831	0.3
83.01257	3.5
85.02821	16.5
86.31036	0.3
89.02303	0.5
99.00766	1.1
101.02335	2.0
105.01846	0.3
108.91227	0.3
111.00764	100.0
112.01101	3.0
112.93628	0.4
117.01814	0.6
119.04926	0.9
126.12947	0.3
128.03462	0.5
129.01834	5.4
133.02910	0.6
134.03616	1.3
154.99774	13.0
156.00072	0.4
161.02400	1.8
173.00836	32.0
174.01163	0.6
187.08807	0.3
189.87480	0.3
191.01913	4.4
193.05003	1.6
193.06560	0.4
197.12878	1.0
214.83287	0.3
215.13939	3.4
232.72423	0.3
256.44785	0.3
258.10196	0.3
343.37766	0.3
368.93091	0.3
443.23099	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	2.7
69.38205	11.0
69.38609	3.1
71.04876	2.0
72.13193	1.4
72.87064	1.6
78.95767	4.1
83.78816	1.6
93.03336	2.5
103.05414	3.7
103.34786	1.6
116.53145	1.5
119.04946	5.9
130.04138	25.6
131.04924	100.0
132.05231	3.2
133.06485	1.6
147.04434	14.9
149.05989	97.2
150.06358	3.2
152.99496	7.0
199.80544	1.4
209.09727	1.7
233.15414	5.3
273.18643	3.9
274.19489	2.7
291.19751	10.8
292.20346	8.8
294.51373	1.9
321.22250	8.3
328.78656	1.5
334.96777	2.0
335.20108	2.2
347.20175	3.2
353.21155	20.2
361.25467	5.5
365.21170	25.5
366.21722	2.8
375.23309	1.7
376.75183	1.7
378.15240	1.8
383.22238	6.6
393.24213	11.2
405.24246	19.1
406.24493	3.0
411.25458	10.6
423.25250	16.7
424.25696	2.5
441.26242	3.7
442.26611	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	441.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	28.1
63.89031	3.1
71.04893	6.9
71.57724	3.2
71.58132	4.3
76.92831	3.1
78.95801	5.4
79.12569	2.6
80.89397	2.4
92.97710	2.8
107.82603	2.7
117.78420	3.1
119.04889	8.5
133.06483	6.2
146.07253	4.1
147.11693	12.9
150.28793	2.7
152.99518	5.4
159.08012	9.1
164.89401	3.5
171.10222	5.4
172.08809	4.3
173.09546	3.2
175.11198	8.8
209.09616	4.7
217.00174	3.8
293.19116	8.9
309.22147	5.1
321.22070	17.6
347.20068	10.3
351.19427	4.0
353.21188	38.1
354.21561	4.5
361.25299	10.0
365.21191	100.0
366.21527	10.9
367.22632	4.3
383.22195	10.0
387.23514	3.3
393.24219	18.7
405.24347	61.9
406.24704	5.3
411.25323	13.7
423.25421	63.2
424.25809	10.1
441.26251	10.2
442.26413	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	442.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06653	0.4
50.34949	0.4
59.01249	10.1
66.15284	0.4
67.78781	0.4
69.28895	3.9
71.01254	5.0
73.02821	4.4
75.90644	0.4
76.14868	0.5
78.95779	0.5
81.33999	0.4
83.01255	1.3
85.02821	2.9
89.02294	0.9
92.04932	4.6
93.03332	47.2
94.03680	1.7
101.02312	3.4
102.03394	0.5
113.02323	1.3
116.04948	0.9
118.02887	1.8
119.04900	1.5
121.02895	0.4
127.13486	0.4
131.03661	100.0
132.04494	15.8
133.02852	3.1
133.04796	0.5
136.03931	5.2
144.04449	59.2
145.04800	3.1
146.02354	1.3
148.03912	0.5
158.05988	0.6
160.03972	0.6
161.04414	0.9
165.00116	0.5
174.05504	1.0
192.08118	1.8
208.07616	1.6
209.02974	0.5
219.06824	4.3
220.07616	45.0
221.07947	3.6
224.07130	0.7
236.07159	4.4
237.07854	6.0
238.08693	39.0
239.09033	2.7
242.08160	0.5
252.06636	7.9
264.10352	3.6
269.09412	0.4
270.07724	3.2
382.12921	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	441.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66850	4.8
59.01254	100.0
71.01231	4.1
71.57623	7.9
71.58031	7.7
75.22096	4.9
78.95779	10.4
91.03761	4.7
96.95879	7.4
152.99553	7.1
161.05997	13.5
161.93443	5.1
167.94193	4.8
171.10315	6.1
186.91519	4.9
191.09680	4.9
197.11713	10.2
209.11816	7.9
212.69104	4.3
213.12755	5.6
217.00177	10.0
267.98102	4.7
330.96841	5.2
343.19302	7.2
381.11508	14.1
423.25354	6.8
441.26324	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	441.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22741	0.5
59.01249	100.0
69.08807	0.5
70.63819	1.9
73.26155	0.6
92.48852	0.5
96.39631	0.5
171.10220	1.3
179.57805	0.6
209.11742	0.7
210.45238	0.5
254.68925	0.6
260.26367	0.7
289.18091	2.9
307.19128	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	441.249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.5
57.03325	0.5
58.00470	0.9
59.01249	100.0
59.28456	0.1
60.01583	1.1
69.03318	0.8
69.25668	0.4
69.26073	1.1
71.01252	23.9
72.01596	0.3
72.99173	1.1
73.02818	29.2
74.03161	0.4
75.00745	0.6
81.03320	0.4
83.01257	8.1
85.02819	3.1
87.00767	0.8
89.02312	5.8
91.63768	0.1
95.01247	0.8
97.02827	0.5
98.19728	0.3
99.00735	0.4
99.04417	0.2
101.02321	22.4
102.02647	0.5
111.00780	0.2
113.02323	8.4
114.02661	0.2
117.01785	0.2
119.03379	1.9
125.02348	0.7
126.99438	0.2
131.03400	2.5
137.02271	0.2
143.03404	1.6
149.04428	0.9
155.03384	1.0
161.04451	2.7
162.04784	0.2
179.05524	0.3
203.05511	0.2
255.39444	0.2
259.27551	0.1
442.17657	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	441.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.3
59.01251	100.0
60.01584	0.9
70.16084	0.3
78.72655	0.3
80.31638	0.3
151.11240	0.3
171.10255	0.9
191.14275	0.4
209.11838	1.4
221.11710	0.3
245.19122	0.7
283.13632	0.5
289.18161	3.0
299.71573	0.4
307.19159	4.0
419.95038	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.249
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
55.01756	0.9
57.03337	1.1
58.00487	0.3
58.69582	0.2
59.01250	100.0
60.01580	1.2
65.69902	0.2
66.28200	0.3
69.03342	0.4
69.26528	2.7
70.32162	0.2
71.01251	14.2
72.99203	0.5
73.02818	4.2
74.03658	0.2
75.00748	0.4
83.01246	2.6
83.04907	0.3
85.02824	6.5
87.00743	0.4
89.02312	2.5
95.01263	1.3
97.02857	0.3
97.06518	0.3
99.00745	1.9
101.02325	7.0
113.02325	5.3
113.03055	0.5
119.03400	0.9
125.02370	0.4
125.09634	0.5
129.01865	0.4
139.07515	0.3
143.03439	0.7
159.02925	1.0
161.04463	4.5
193.15997	0.6
195.13887	0.6
200.48314	0.3
209.11752	1.2
217.23976	0.3
237.14883	1.3
237.18559	2.5
238.18980	0.3
381.22763	4.4
382.23221	0.5
399.23874	6.8
400.24286	0.7
441.28665	2.2
442.55679	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2492
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
50.32171	0.3
50.37337	0.4
52.70043	0.3
57.95878	0.3
59.01250	100.0
59.14379	0.3
60.01584	1.0
71.01254	4.5
71.13660	0.8
73.02836	1.0
83.01272	0.5
85.02837	1.5
87.00786	0.4
89.02324	1.6
99.35497	0.4
101.02331	2.1
110.49635	0.4
113.02330	2.3
119.03389	0.9
161.04480	1.2
187.38646	0.4
202.33112	0.3
256.01227	0.3
399.23611	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00463	0.5
59.01251	100.0
59.61879	0.4
60.01595	1.0
66.72726	0.4
71.01254	5.3
71.44607	0.6
73.02826	1.8
76.58970	0.4
80.75274	0.4
83.01263	1.0
85.02829	1.2
89.02310	2.3
97.06950	0.4
99.00789	0.4
101.02317	3.3
113.02325	2.5
119.03429	1.0
137.02368	0.5
151.01921	0.4
161.04497	0.8
254.08150	3.0
255.08435	0.5
397.15744	1.8
399.24127	0.6
441.28915	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	0.3
57.03310	0.3
59.01250	100.0
60.01588	1.1
60.15367	0.2
69.37630	0.4
69.38046	1.3
71.01253	3.5
72.99175	0.3
73.02815	1.0
83.01271	0.5
85.02820	1.7
89.02323	1.5
95.01272	0.3
99.00770	0.5
101.02322	2.2
113.02311	2.0
119.03400	0.7
143.03378	0.3
161.04459	0.9
179.05569	0.2
242.57626	0.2
316.21646	0.2
359.39294	0.2
399.23788	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.5
56.45852	0.3
57.03324	0.3
58.00465	0.4
59.01250	100.0
60.01586	1.4
69.03327	0.9
69.45086	1.7
71.01251	20.0
71.95081	0.2
72.01617	0.5
72.99196	0.7
73.02818	31.4
74.03152	0.4
75.00759	0.4
77.59801	0.2
83.01260	7.3
85.02823	2.7
87.00776	0.6
89.02320	5.4
95.01280	1.1
97.02854	0.6
98.19812	0.6
98.20464	0.6
99.00770	0.4
99.04354	0.3
101.02319	21.6
102.02667	0.4
103.74847	0.2
113.02318	6.7
113.03043	0.4
114.02667	0.2
119.03385	1.7
125.02354	0.8
126.99443	0.3
131.03398	1.8
143.03416	1.3
149.04489	0.9
150.86162	0.3
155.03403	0.6
161.04459	2.3
179.05609	0.5
219.45218	0.3
288.28027	0.3
385.44223	0.3
434.89810	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.08427	0.9
71.01221	1.4
71.57737	1.3
78.95730	1.1
83.04890	1.0
111.64008	1.0
113.14151	0.9
116.19744	1.1
118.93272	1.1
125.09602	1.9
129.01794	0.9
151.11176	1.5
169.12242	2.1
171.10205	3.3
190.29794	1.0
197.11540	1.0
211.13324	1.4
217.00116	1.3
283.13757	2.5
289.18231	5.5
293.21188	2.6
307.19211	4.2
409.07169	1.6
425.95538	1.1
440.33090	1.0
441.09918	2.2
441.27130	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	441.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
59.99915	0.2
60.01591	1.0
71.01254	3.6
71.38568	0.4
73.02823	1.2
83.01276	0.3
85.02826	1.8
89.02299	1.3
93.03349	0.3
95.01260	0.3
99.00761	0.4
101.02323	1.6
108.26400	0.2
113.02331	2.1
119.03407	0.4
125.11194	0.2
137.02382	0.6
143.03387	0.3
159.00584	0.2
161.04456	1.0
179.05568	0.3
202.64215	0.2
240.10660	0.2
273.78937	0.2
341.19974	0.2
342.20468	0.2
398.76688	0.3
399.24030	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.6
57.03320	0.7
57.54002	0.3
58.00479	0.7
59.01249	100.0
60.01587	1.2
71.01250	18.4
72.99172	1.3
73.02814	8.8
76.12214	0.3
83.01267	2.9
85.02824	5.7
87.00761	1.4
87.04392	0.5
89.02312	11.8
95.01273	1.0
96.95934	0.5
97.02843	0.4
99.00777	1.6
101.02321	15.4
101.05978	0.6
102.02673	0.4
105.58048	0.3
113.02339	7.4
114.02719	0.4
119.03387	5.6
125.02367	0.9
131.03429	1.1
143.03397	1.7
149.04445	0.9
159.02850	0.4
161.04477	4.6
161.05655	0.5
179.05539	3.0
192.70912	0.4
200.53291	0.3
211.13379	0.8
229.14453	1.3
283.06238	0.4
283.28848	0.3
359.01273	0.4
381.13791	0.4
399.23880	2.0
412.13599	0.4
441.17535	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.3
58.00448	0.3
59.01251	100.0
60.01597	0.9
69.03320	0.4
69.44093	3.0
71.01255	8.3
72.99190	0.6
73.02818	7.0
83.01254	2.3
84.30907	0.3
84.88519	0.3
85.02828	1.8
87.00786	0.6
89.02322	4.4
90.56983	0.3
95.01278	0.7
101.02321	6.6
113.02328	4.5
118.57590	0.3
119.03415	1.5
125.02361	0.6
131.03435	1.0
139.11226	0.9
143.03397	0.3
148.49567	0.3
149.04518	0.3
161.04527	0.8
193.15926	0.5
237.14835	0.8
264.69824	0.3
441.28680	0.6
444.98401	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69004	0.4
59.01260	1.0
70.93182	1.1
78.95340	0.4
78.95776	7.5
96.96849	0.9
103.17066	0.5
152.99504	8.8
153.00722	0.6
171.00533	1.0
174.71860	0.5
183.13841	15.0
184.14136	0.7
194.46037	0.5
195.13853	13.6
211.13435	1.4
212.13673	2.2
213.14919	100.0
214.04771	0.5
214.15289	5.5
227.03149	1.2
245.04320	1.9
245.63007	0.5
292.79553	0.5
297.07321	0.5
412.63644	0.5
441.18951	25.8
442.19354	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	441.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43527	1.0
52.95305	1.1
57.03321	1.0
59.01249	3.9
63.88250	1.0
69.22785	2.9
69.23188	10.0
71.01243	1.1
77.16911	1.3
78.95789	22.0
96.96847	3.1
114.49813	1.0
115.00260	1.3
118.99336	1.0
127.76844	1.0
143.10699	2.8
152.99500	30.9
162.02267	2.4
183.13850	13.2
184.14140	1.6
195.13873	13.3
211.13397	8.0
212.13702	9.5
213.14922	100.0
214.15295	6.2
227.03197	3.9
265.63611	0.9
283.98029	1.1
291.10168	1.0
343.20892	1.5
349.14224	2.0
381.15939	1.9
391.95374	1.1
409.18616	1.4
441.18942	55.6
442.19174	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	441.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72443	5.9
59.01257	49.7
65.28704	5.5
71.01258	30.1
71.56976	10.2
73.02810	10.0
73.06789	6.0
76.35207	6.8
78.95773	58.7
85.02831	10.8
89.02321	19.7
98.63268	6.6
99.05498	6.8
101.02306	18.0
113.02294	9.4
116.07071	24.3
127.11158	6.8
131.03383	9.3
137.32469	6.2
140.01059	21.9
145.02837	7.0
146.24367	7.3
152.99469	13.4
154.06122	8.9
159.10165	7.1
161.04414	8.0
163.03915	8.1
171.10104	8.0
194.91818	6.2
196.03719	18.7
196.33946	7.1
201.11290	78.8
209.11769	100.0
214.04784	22.7
217.08656	8.2
227.12709	6.6
227.14105	10.4
249.13434	25.0
281.63556	6.1
321.14441	12.2
381.17648	66.5
387.18451	7.3
398.15762	7.4
424.17459	33.7
441.17343	10.9
442.18457	81.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26355	0.9
57.03330	37.9
58.66402	1.0
59.01255	31.6
64.56317	1.0
68.83440	0.9
70.22588	1.9
70.22971	2.3
71.01261	6.6
73.02828	3.8
78.95779	26.7
83.01271	1.8
85.02820	2.5
88.03880	1.0
96.96836	5.1
99.00796	1.7
99.04401	26.5
101.02340	12.9
113.02329	1.9
125.02351	8.0
136.03951	4.7
144.99350	1.0
152.99498	35.7
159.10161	0.9
171.00658	1.3
183.13840	20.9
184.14291	1.0
195.13826	16.7
211.13368	3.2
212.13686	5.1
213.14917	100.0
214.15300	5.8
215.16467	4.0
216.16772	4.8
227.03217	2.9
245.04243	1.3
262.47137	1.1
283.08823	1.8
297.13428	9.8
343.21344	3.1
349.14066	1.4
381.15799	1.1
404.94739	1.0
441.18918	58.2
442.19275	4.6
442.24600	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	441.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44277	8.4
59.01247	67.1
70.01207	45.2
71.01247	49.5
78.95766	73.5
80.96346	9.5
85.02834	13.5
89.02296	45.4
96.95916	8.7
101.02338	37.5
113.02348	25.0
119.03412	21.2
135.17542	7.8
139.07474	8.7
141.57578	9.0
152.99498	37.2
164.59691	8.1
175.93651	9.7
200.13895	10.2
205.12312	20.5
226.11682	12.2
330.13110	11.9
348.71439	9.4
397.18890	14.2
441.17682	100.0
442.18268	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	5.4
69.30112	1.7
69.30513	5.3
71.01257	2.5
82.02843	3.6
85.02812	1.4
89.02312	2.2
93.03336	8.1
94.02860	43.2
94.06490	0.8
95.03178	1.0
96.04427	5.6
96.95899	0.8
101.02325	1.4
105.05730	2.9
106.26239	0.6
108.02066	1.5
108.04436	3.0
110.06010	1.3
113.02336	0.8
114.05478	0.8
119.03374	0.7
120.08080	100.0
121.08418	3.4
122.05982	1.8
124.74956	0.6
125.56325	0.6
133.83176	0.7
134.06018	1.5
135.05492	1.0
136.03943	4.3
137.04723	2.1
138.05504	27.7
139.05902	0.7
148.07568	3.6
150.05516	2.0
152.07097	7.2
161.40591	0.7
164.07077	19.7
165.07442	1.0
166.08784	0.7
177.81142	0.7
192.99583	1.9
212.10742	2.6
215.11794	2.0
216.06645	1.1
217.13428	1.3
225.07921	2.4
240.10245	11.0
241.10287	2.0
242.16534	0.8
243.11354	1.0
257.06866	3.3
258.07715	5.6
259.10922	2.5
261.12411	5.6
279.80118	0.7
284.09299	15.1
285.09775	2.3
285.12534	2.2
286.10846	0.9
303.13483	19.0
304.13892	2.3
335.12537	1.6
381.14554	31.8
382.14877	3.8
423.15598	51.7
424.15933	7.7
441.17902	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79364	1.1
57.03312	2.3
58.00472	4.1
59.01254	100.0
71.01258	74.4
71.14984	1.0
71.33875	1.2
71.57761	1.8
72.99175	5.5
73.02834	1.7
73.38718	1.0
78.95784	13.9
85.02827	9.3
87.00759	5.4
89.02324	91.5
95.01262	5.1
96.00768	1.6
96.96858	2.1
99.00780	1.2
99.04433	1.2
101.02331	35.0
113.02332	30.1
113.03069	2.2
115.00253	9.4
119.03395	32.2
131.03395	2.7
131.04964	1.8
133.01306	1.3
143.03432	7.2
149.04491	3.2
152.99529	5.9
161.04488	8.2
171.10165	1.3
179.05554	23.0
215.16508	19.3
216.16846	12.6
219.53467	1.1
221.79773	1.1
244.16557	2.0
261.09274	4.1
262.09665	1.3
263.10757	2.0
279.10254	6.7
318.75211	1.3
321.11435	5.3
343.21149	1.4
381.15723	1.7
440.24176	2.5
441.15570	14.7
441.21365	1.2
441.24564	5.1
442.15536	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	441.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00458	5.2
59.01253	100.0
59.99006	1.9
63.64915	1.2
71.01257	72.7
71.52664	2.1
72.00780	2.5
72.99181	7.2
73.01038	9.9
73.02824	2.7
74.01384	1.3
78.95786	29.1
83.01273	2.6
83.09055	1.1
85.02834	9.5
87.00758	5.4
87.98508	12.6
88.02120	4.0
89.02319	87.2
95.01272	6.3
96.76566	1.1
96.96846	10.8
101.02322	32.8
113.02330	25.5
115.98006	43.8
116.01670	3.3
117.00054	45.7
119.03392	36.5
128.03389	2.1
131.03445	3.0
131.04875	1.9
143.03407	5.7
144.04456	2.6
145.06021	1.7
148.06201	8.7
149.04466	3.0
152.99467	2.9
160.00656	29.3
161.04497	7.6
179.05539	17.0
211.13362	3.3
212.13788	5.7
241.16660	1.3
247.36316	1.5
261.09271	2.7
262.09912	2.4
279.10181	4.2
321.11224	5.3
343.21164	1.5
357.08978	2.9
372.16992	1.2
381.15897	1.5
441.15445	16.4
442.15753	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	441.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27204	0.8
53.39034	0.7
54.39529	0.8
54.49254	0.7
56.74503	0.8
57.03323	1.1
58.00477	3.3
59.01250	54.8
60.16265	0.8
69.37992	5.4
69.38415	1.7
71.01254	36.6
71.04902	1.6
72.99180	3.3
73.02823	1.2
80.26009	0.7
83.01268	1.9
85.02823	7.8
87.00761	1.4
89.02314	38.5
90.02659	0.9
93.03341	0.9
95.01277	2.1
101.02325	20.4
110.62738	0.8
111.00757	0.9
113.02338	12.1
115.03868	1.2
117.03354	5.6
119.03392	17.1
119.04900	14.2
121.64559	0.9
131.03430	1.0
131.08171	3.6
132.05669	1.0
133.06462	2.4
142.41026	0.8
143.03397	1.5
145.02853	49.0
146.03226	1.6
161.04628	1.3
161.06029	3.6
163.03914	20.0
164.04265	1.4
173.10341	2.1
177.05495	1.8
179.05505	2.1
200.17683	1.5
205.04988	4.0
217.08638	37.2
218.09018	2.2
223.09628	1.1
265.07101	1.1
277.09308	3.4
295.10333	100.0
296.10715	4.8
397.15192	1.3
428.15372	0.8
441.14093	3.4
441.28500	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	441.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	61.9
70.56510	8.4
71.01259	33.4
78.95778	7.7
85.02838	8.9
87.00763	2.8
89.02321	37.7
99.00784	3.2
101.02318	22.9
113.02324	15.8
117.03358	7.6
119.03394	17.4
119.04899	21.1
133.06470	2.7
143.81355	2.4
145.02853	53.8
145.03917	4.3
161.05983	3.1
163.03896	21.0
189.87480	2.6
217.08659	41.0
218.09006	2.8
245.14020	2.7
295.10355	100.0
397.20776	3.6
441.17520	5.7
442.18420	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	440.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58836	1.0
59.01250	3.7
62.54362	1.1
63.45451	1.1
63.64621	1.0
69.59084	1.6
69.59492	8.0
71.04900	1.8
78.95778	72.1
81.03298	1.1
83.04885	1.3
97.02832	6.7
97.06460	2.2
99.00759	20.2
113.16785	1.2
120.08097	1.8
122.00027	1.7
125.09624	4.4
139.52376	1.3
140.01079	24.7
142.02582	2.3
152.99504	14.0
163.11208	6.8
171.00598	1.8
171.10187	3.6
181.12274	18.6
196.03731	17.3
197.11981	1.4
199.13332	11.8
207.10202	42.7
208.10638	2.2
214.04814	4.5
215.12891	2.7
225.11279	64.1
226.11632	4.9
243.12350	90.0
244.12732	5.7
247.75667	1.4
297.11386	1.3
324.64966	1.3
350.63190	1.3
379.11597	1.6
390.72324	1.3
405.77539	1.2
408.85468	1.2
422.15796	2.0
440.16891	100.0
441.17267	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	440.169
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01230	6.9
66.76801	2.3
68.44150	2.5
71.05389	3.1
71.05717	5.0
75.00738	3.3
78.95779	67.3
96.96843	5.3
97.02816	4.8
99.00748	13.0
117.03385	4.2
125.09603	4.1
133.04947	7.2
137.59453	2.5
140.01099	20.2
145.02814	12.1
152.99535	13.1
163.03886	2.6
163.11191	8.5
171.10156	6.0
181.12315	18.8
195.14386	2.8
196.03696	14.7
199.13312	11.7
207.10213	36.9
214.04791	7.6
214.93494	2.8
225.11252	50.4
226.11523	3.3
243.12350	71.9
244.12689	3.8
259.02954	2.6
277.12164	4.3
375.38419	2.8
376.77521	3.0
422.15942	6.0
440.16843	100.0
441.17233	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	441.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00478	2.2
59.00952	3.8
59.01252	77.0
69.00999	1.8
70.89184	4.1
70.89511	2.6
71.01258	44.5
71.04922	2.1
72.99184	5.0
73.02819	3.3
78.95778	7.2
80.63525	1.7
82.76256	1.6
83.01239	3.3
85.02824	10.7
87.00760	2.2
89.02322	50.4
95.01273	4.1
96.95879	2.8
96.96867	2.0
99.90695	1.8
101.02326	32.1
113.02319	15.4
117.03363	11.2
119.03415	26.2
119.04907	28.5
145.02859	100.0
145.06064	2.7
146.03143	2.5
147.04492	2.0
152.99518	6.3
160.27435	1.8
163.03917	33.0
166.33286	1.8
189.08998	2.4
200.07904	1.8
217.08656	65.9
218.09102	4.2
249.13330	3.2
277.09222	5.6
295.10361	62.9
296.10504	3.7
381.18036	8.8
397.15057	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	439.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79668	1.6
59.01273	1.4
60.83725	1.3
96.95905	1.8
98.19759	3.7
99.08016	13.2
99.92455	1.7
127.07550	6.5
129.09128	3.2
133.70050	1.6
145.07458	2.6
145.08600	52.3
146.08963	2.7
151.11230	1.4
169.12152	1.9
181.12286	1.7
185.17561	1.5
197.11765	7.0
199.13312	4.2
211.13344	10.2
213.86581	1.8
293.21298	7.8
311.22253	100.0
312.22449	9.3
439.30634	10.5
440.31238	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	440.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	15.6
66.07192	1.1
66.36943	1.2
71.01253	6.7
71.04894	2.5
71.58308	1.2
78.95786	30.7
85.02804	2.3
89.02322	6.5
89.47583	1.1
96.96817	1.5
97.02817	4.7
97.98107	1.2
99.00771	18.7
101.02334	4.6
113.02368	3.1
119.03386	3.6
125.09615	5.4
128.03342	1.6
135.04462	5.8
140.01068	8.0
142.02676	1.8
142.05002	1.2
152.99503	9.4
155.14311	1.6
161.05954	1.3
163.11244	6.5
169.92746	1.2
171.00578	1.3
171.10164	2.4
181.12273	15.3
196.03725	3.1
199.13312	9.1
205.12468	1.2
207.10205	34.6
208.10590	2.0
214.04878	7.3
215.12825	8.1
217.12274	1.6
225.11276	61.9
226.11653	3.4
243.12355	100.0
244.12605	7.4
248.86694	1.1
330.13058	2.5
397.18448	1.6
422.15845	2.2
440.16818	58.5
441.12326	1.7
441.17697	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48438	1.2
55.14193	1.4
56.18253	1.3
59.01254	100.0
60.04105	1.2
68.02184	1.2
69.34122	12.7
71.01264	2.8
72.99174	1.5
78.95766	3.0
85.02828	1.5
87.00725	1.5
88.98677	5.2
93.03353	4.1
96.95905	2.1
98.20644	2.5
121.02852	1.7
121.73256	1.5
129.01837	3.6
132.04408	1.6
133.06502	1.9
147.04419	11.1
163.03848	2.3
244.08231	1.5
263.54425	1.5
287.16476	3.6
305.17575	1.5
317.08249	4.6
329.23389	2.6
393.11569	1.7
405.23944	1.6
411.12292	21.3
412.12677	3.9
439.11472	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	439.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	30.4
59.61241	7.9
62.05692	6.6
65.54343	7.3
69.56406	8.3
69.63834	7.6
71.01250	33.3
73.02856	7.9
75.00743	9.0
78.95786	9.9
82.40304	6.5
85.16929	6.9
95.89327	7.7
101.02344	13.8
103.40383	7.3
113.02311	17.5
114.73916	8.9
121.30278	7.8
146.25818	7.2
152.80110	8.3
173.17670	7.6
240.22498	9.6
277.21756	100.0
278.22125	11.8
291.23273	27.1
319.22815	19.7
331.22791	33.6
349.24121	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	439.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	22.3
69.63976	52.7
69.64380	17.2
71.01260	29.7
75.00746	16.0
78.95784	13.8
85.02828	10.4
101.02366	8.6
113.02325	11.9
113.67512	8.4
123.20313	9.9
125.93230	8.9
175.67325	10.9
182.46434	9.1
218.70444	9.2
254.43796	9.4
277.21735	100.0
317.17603	9.7
319.22717	23.6
331.22864	44.1
352.49930	11.2
421.09882	26.2
439.31967	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	439.161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80824	0.4
57.03316	3.5
59.01254	100.0
60.01574	1.1
69.50892	4.3
71.01271	1.6
71.83239	0.4
73.02831	0.7
78.95773	2.4
84.85994	0.5
85.02841	0.5
88.06640	0.6
96.96831	1.3
98.19820	1.2
99.04402	3.8
101.02358	1.5
107.31042	0.5
125.02361	2.0
130.47276	0.5
133.06523	1.0
138.33856	0.5
152.99577	1.5
154.79912	0.5
161.04446	1.2
176.18799	0.5
183.13760	0.6
193.08473	1.3
211.13379	1.9
249.15675	0.6
269.07828	0.5
271.13257	1.5
357.23016	1.1
379.20898	0.7
398.51566	0.5
439.17404	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.7
58.00467	1.3
59.01250	100.0
60.01585	1.1
61.98687	0.6
69.03330	1.9
69.33746	4.1
71.01250	34.4
72.01596	0.5
72.99199	1.1
73.02816	48.0
74.03151	0.5
75.00743	0.8
81.03321	0.6
83.01257	12.3
85.02818	4.1
87.00777	1.1
89.02310	7.3
89.02816	0.5
95.01276	1.5
95.04902	0.4
97.02869	0.9
98.19754	0.7
99.00690	0.5
101.02320	35.4
102.02683	0.9
108.60422	0.4
113.02331	12.0
119.03423	2.3
121.10133	0.8
125.02396	1.2
131.03386	3.2
134.41187	0.4
141.99097	0.4
143.03416	1.6
149.04462	1.4
155.03453	1.3
161.04472	3.7
209.11787	0.5
211.13387	0.6
217.15932	5.5
218.16260	0.4
326.98981	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07996	0.2
69.72588	1.1
71.02951	0.2
73.01434	0.2
78.95778	47.1
79.88802	0.2
96.95948	8.0
96.96842	100.0
98.19812	0.4
130.74168	0.2
165.69604	0.2
181.60312	0.2
267.02594	0.2
439.08655	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	73.1
59.01253	61.4
69.62593	1.8
69.63001	8.0
71.01257	17.9
73.02832	4.8
78.95783	47.1
81.03362	2.6
83.01274	2.2
83.04901	5.9
85.02824	7.3
96.95915	4.2
96.96867	3.7
99.00786	1.9
99.04398	59.7
101.02328	17.2
113.02351	6.7
117.57561	1.3
125.02345	20.6
133.06499	2.7
140.01111	1.6
140.59732	1.2
140.71703	1.2
143.03479	1.2
152.99483	11.7
159.02997	2.0
161.04465	11.4
168.04274	5.9
169.04692	1.4
171.10172	2.6
183.13832	20.8
184.14174	15.1
186.66408	1.3
195.13734	14.1
196.03697	2.1
196.14171	14.0
203.05589	3.9
211.13353	32.4
213.14906	100.0
214.15257	93.8
215.15508	2.0
222.66829	1.5
224.06903	12.2
225.07307	3.4
242.07939	3.6
243.08414	1.4
292.17044	1.4
312.26614	2.9
342.11972	1.3
408.17999	2.0
421.31882	16.1
438.22644	10.0
439.17798	1.9
439.23065	49.7
439.32498	15.4
440.20895	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	438.262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15621	0.4
54.04682	0.4
57.55140	0.3
69.46926	3.2
71.01261	0.8
78.95780	5.5
81.04349	0.4
93.16619	0.4
98.19832	0.9
140.01060	1.7
141.17300	0.4
152.99483	1.6
196.03732	1.2
205.40497	0.4
214.04797	2.3
241.21700	100.0
242.22047	7.4
242.24368	0.7
421.08749	0.4
438.26208	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	438.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
70.10843	0.9
70.11253	1.6
78.95779	15.9
99.62402	0.5
122.00022	0.7
140.01056	3.6
152.99438	1.3
196.03723	8.3
214.04822	1.6
241.21695	100.0
242.22026	7.4
243.92635	0.5
364.25598	0.5
438.26279	19.2
439.26608	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	438.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	0.4
61.98693	0.3
71.56432	0.1
71.56754	0.1
78.95775	6.4
84.57803	0.1
94.18069	0.1
96.95855	0.1
96.96832	0.2
102.48915	0.1
113.91672	0.1
115.53580	0.1
122.02175	0.1
139.66634	0.1
152.99522	0.8
165.12689	0.2
168.02888	0.1
168.04231	1.8
177.12737	0.2
183.13829	16.1
184.14204	0.9
189.88788	0.1
195.13832	13.8
196.14095	0.8
211.13405	0.6
213.14902	100.0
214.15239	5.4
224.06924	1.1
241.89713	0.1
242.07932	2.6
346.28162	0.1
438.22617	11.4
439.22977	1.1
443.54791	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	438.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56664	0.2
55.41351	0.1
57.03326	4.4
57.66247	0.2
59.01256	4.1
61.98702	0.7
71.01251	1.1
71.57903	0.2
71.58282	0.3
73.02772	0.3
78.95778	20.8
80.29266	0.2
81.03337	0.3
83.04893	0.3
85.02822	0.4
90.49176	0.2
96.95917	0.4
96.96838	0.5
97.06455	0.2
99.04392	3.5
101.02337	1.1
113.02314	0.3
122.98491	0.2
125.02337	1.3
134.98438	0.2
152.99500	3.4
161.04456	0.6
165.12750	0.3
167.14326	0.2
168.04221	3.6
177.12817	0.4
183.13835	18.0
184.14195	0.9
190.84195	0.2
194.02097	0.2
194.05829	0.2
195.13841	15.4
196.14211	0.9
203.05539	0.3
211.13390	0.6
213.14908	100.0
214.15248	6.0
224.06892	9.0
242.07962	2.3
257.96082	0.2
358.21265	0.2
421.31927	0.5
427.47433	0.2
438.22620	29.7
439.23004	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	438.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26317	4.4
58.02848	6.7
59.01260	13.0
60.22292	4.8
63.96111	7.8
69.70575	32.0
70.02852	5.3
71.01263	12.2
72.00761	6.0
72.99180	4.6
73.02795	5.1
73.98197	8.7
74.02354	28.4
77.53191	4.3
78.19122	4.6
81.02085	6.1
82.02851	11.2
83.83755	4.6
85.02818	6.6
85.03963	4.5
86.02379	14.9
87.05539	10.8
89.02300	6.7
97.03963	12.5
99.05542	18.6
100.00282	100.0
101.02306	6.9
104.73438	4.6
111.00774	6.9
111.56890	4.8
112.03934	5.0
113.03456	10.9
114.00086	7.1
116.18756	4.7
120.01176	5.2
123.05544	8.2
125.03481	9.5
127.05031	11.7
128.03421	76.6
133.06772	6.1
137.07117	5.3
137.18553	4.7
138.05545	6.6
141.06609	34.2
142.25735	4.1
143.04529	47.3
145.06120	23.6
146.08116	33.9
160.00676	16.3
166.09779	5.3
167.04535	41.6
169.02451	9.2
169.06107	10.6
179.04535	10.1
185.05611	20.3
210.08708	8.3
224.06790	7.0
254.07750	20.3
272.08908	27.7
304.06119	24.7
306.07681	13.3
398.11685	5.8
438.15381	22.8
439.17325	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	438.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02848	7.3
70.42345	0.8
71.12984	2.0
72.00780	1.0
74.02347	16.1
78.95765	1.4
82.02853	2.1
86.02356	5.8
86.05969	0.9
86.98985	1.5
87.05495	4.0
87.87811	0.8
90.00049	1.9
95.02411	1.0
97.03942	2.3
99.05520	13.8
101.07088	2.4
102.05479	1.8
104.77521	0.8
107.06042	1.0
109.03931	2.7
112.03934	1.7
116.01650	1.2
120.01112	1.2
123.05540	1.8
124.03951	1.6
127.05016	2.8
128.03426	36.5
129.52370	0.9
131.04543	1.2
135.05527	3.7
137.07109	1.0
141.06593	3.1
143.04527	53.7
144.01141	0.9
144.04832	1.5
145.06073	2.1
146.04482	3.5
146.82349	0.8
153.06575	3.5
155.08075	0.9
159.99434	1.5
160.00653	15.2
166.09766	1.6
167.04514	3.5
167.08188	1.0
171.07631	1.2
177.03319	6.2
179.04538	11.1
181.06181	1.7
184.10799	0.9
185.05576	2.0
192.07759	1.0
197.05577	3.0
210.08817	11.6
212.41747	0.9
231.04349	1.3
231.27188	1.0
254.07811	21.0
272.08890	33.3
288.06638	12.4
306.07657	100.0
307.07983	7.1
438.14114	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95975	2.1
58.02847	7.1
60.86174	2.2
68.04908	2.5
70.71082	6.7
74.02351	16.2
78.95785	6.8
86.02361	6.7
87.05507	3.9
96.95928	3.3
96.96851	2.6
99.05524	12.8
101.07079	3.0
102.05462	2.9
105.91434	2.4
110.57127	2.4
127.05041	3.5
128.03441	39.4
135.05493	2.7
137.02339	3.7
141.06583	4.0
143.04533	55.0
146.04468	5.2
152.99518	9.3
153.06587	3.2
160.00684	16.3
167.04579	2.7
167.08154	2.6
177.03310	5.8
179.04523	10.3
182.38985	2.5
203.12790	8.4
210.08763	8.4
254.07799	17.7
257.69562	2.7
272.08878	27.9
285.81104	3.2
288.06595	11.8
306.07660	100.0
307.08047	6.5
438.10706	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	437.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01593	0.8
60.85056	0.3
61.98697	1.6
63.25214	0.3
69.87080	1.8
71.01257	1.2
72.99188	0.4
73.02832	0.9
74.21886	0.3
75.00718	0.3
80.96387	0.6
85.02826	1.3
89.02335	0.7
96.95880	0.6
99.00768	0.4
101.02351	1.1
112.93581	0.3
125.02437	0.3
129.06667	0.3
130.28200	0.3
130.58440	0.3
131.07013	0.3
133.02853	0.6
135.04443	1.2
137.02327	0.3
155.84283	0.4
160.01588	0.9
201.11206	1.4
274.15814	0.6
275.16510	0.7
335.20819	0.9
340.08041	0.9
363.23984	0.5
377.21872	0.5
437.19354	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2673
Annotation	1-O-hexadecyl-2-acetyl-sn-glycero-3-phosphate
Peak:m/z	Relative Intensity
57.17524	3.9
68.25283	4.2
71.21940	8.3
73.15515	4.3
78.95778	70.4
96.96841	5.0
119.00704	4.3
120.44302	4.2
152.99492	100.0
169.95393	4.8
192.70947	4.8
234.14032	4.1
253.36586	4.8
257.10748	4.6
322.45505	4.7
385.38779	4.9
437.26846	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	437.231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	10.0
63.54505	6.7
64.59088	6.0
66.91975	6.3
71.01238	6.8
71.57389	9.4
71.57778	9.1
73.50472	6.3
74.37325	6.9
78.95773	77.6
88.98681	21.0
96.96874	7.8
101.45152	6.1
115.80674	6.1
152.99493	100.0
190.51501	7.0
209.11864	9.6
226.10156	6.1
231.10054	7.9
241.59016	7.2
249.11037	28.0
315.17081	7.0
317.86148	6.8
405.16745	12.4
437.25699	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	60.7
69.34167	47.7
69.34588	100.0
71.53543	15.0
77.86528	12.7
78.95782	65.4
88.98673	24.3
92.85483	14.3
94.88879	14.0
112.35373	16.0
113.04580	14.2
128.99191	20.5
150.93559	16.2
152.99527	76.3
171.13995	13.9
193.01790	14.9
201.11220	33.5
213.14828	16.7
269.17578	28.8
456.05579	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	437.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25159	16.1
59.01232	31.7
67.09942	14.7
71.29672	28.6
72.43251	18.5
78.95779	100.0
81.53869	16.9
96.95888	26.8
103.45281	16.6
103.81170	15.8
107.76138	17.1
113.65782	16.3
121.10165	21.3
129.46950	15.5
131.87469	16.7
146.36034	15.8
152.99489	92.9
157.07623	31.9
170.85588	16.6
170.88338	16.1
259.52362	16.8
268.88214	15.5
270.16025	20.6
301.01773	18.5
329.17258	33.2
332.16028	40.5
340.54153	16.4
343.70547	17.6
359.50293	17.2
434.82047	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	437.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
70.08018	100.0
96.95911	25.5
107.49161	26.1
133.04938	95.5
147.82487	26.3
148.11903	21.1
166.14772	21.9
175.00275	23.0
199.72745	23.1
220.94835	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	437.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.8
58.94474	2.0
59.01247	11.1
59.24868	1.7
71.01265	19.2
71.56891	1.8
72.99170	3.2
75.00737	11.9
76.39717	2.2
76.99196	2.0
78.95795	5.6
85.02827	15.8
87.00759	5.7
89.02319	5.9
92.76436	1.8
96.95876	1.8
97.06461	11.4
98.16533	1.8
99.00783	7.3
101.02314	3.9
103.00319	2.2
111.00816	1.9
113.02338	16.2
123.08072	5.1
125.08736	3.8
125.09617	64.1
126.09925	2.5
152.99486	5.9
187.09700	39.0
188.10046	2.5
195.27751	1.9
201.11163	10.6
249.06206	3.8
261.13376	8.7
267.07468	3.5
277.97009	2.0
350.68710	2.2
419.15350	3.7
437.16571	100.0
438.16461	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	437.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88651	0.6
56.72557	0.7
57.03336	4.2
57.62428	0.7
57.94669	0.7
59.01257	11.0
68.99700	1.3
69.03316	1.0
69.49689	0.6
69.49977	6.0
71.01258	13.8
72.99186	4.6
73.02839	1.1
75.00748	11.9
78.95784	4.6
83.01247	1.0
85.02827	12.2
87.00751	4.9
87.01667	0.6
89.02319	3.1
93.03335	0.8
95.01247	3.3
96.95918	1.3
97.06470	7.5
98.19866	0.9
99.00755	9.3
101.02342	1.6
103.00262	1.3
111.00760	1.5
113.02346	12.9
115.00242	1.2
117.01827	1.9
123.08026	4.2
124.00890	0.9
125.09619	69.1
125.84930	0.6
126.09978	2.8
129.01848	1.2
143.10649	1.5
151.59622	0.7
152.99486	5.2
157.01363	0.8
169.08662	1.8
175.02396	1.5
187.09688	45.0
188.09987	1.6
201.11186	1.0
231.05173	1.0
242.07707	0.9
247.79750	0.7
249.06137	10.2
257.10336	0.7
261.13425	6.3
267.07239	2.5
325.37216	0.7
375.16876	1.6
419.15536	2.8
437.16626	100.0
438.16919	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	436.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	3.0
69.77172	2.9
71.01228	0.5
78.18712	0.5
78.95778	16.7
90.03429	0.5
96.96850	0.8
98.20491	1.0
122.89313	0.7
124.27908	0.5
125.87213	3.4
140.01062	2.3
152.99467	5.2
157.86214	7.9
171.00583	1.9
196.03740	0.7
205.34932	0.7
214.04774	3.4
214.06549	0.5
221.19177	0.9
235.12605	0.6
239.20129	100.0
240.20459	6.7
287.01462	0.6
301.03156	1.1
436.09131	0.7
436.24567	9.9
437.25073	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	436.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	2.2
64.96416	1.2
68.73226	1.2
69.52590	11.1
70.98531	1.5
72.96819	1.3
78.95779	25.1
85.00220	1.3
98.19896	2.7
140.01117	7.0
152.99503	7.7
161.56026	1.3
179.62872	1.3
196.03752	8.6
196.78767	1.3
206.48779	1.4
214.04803	2.4
239.08897	1.4
239.20146	100.0
240.20496	5.2
271.19946	1.2
277.21567	1.3
333.72205	1.3
428.07990	1.5
436.24741	23.4
437.25244	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	436.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93257	0.4
59.01257	3.0
69.95441	1.9
71.01248	0.6
78.83677	0.4
78.95779	19.9
82.60917	0.3
90.15582	0.3
98.19891	0.7
98.36044	0.4
102.26266	0.3
109.24850	0.3
110.17358	0.3
122.00044	0.7
137.02779	0.4
140.01089	5.3
152.99521	2.1
168.53349	0.3
192.05260	0.4
196.02023	0.7
196.03729	9.9
214.04781	2.6
221.19066	1.0
239.20131	100.0
240.20464	7.0
296.92264	0.4
298.53470	0.4
436.24701	16.4
437.24963	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1086
Annotation	Fortuneanoside J
Peak:m/z	Relative Intensity
58.00462	1.1
59.01252	3.5
61.98729	0.5
69.47083	2.5
69.47511	2.6
71.01240	2.8
72.99181	0.9
78.95761	0.6
80.43228	0.6
84.28757	0.6
85.02793	2.1
89.02304	1.2
93.03331	14.0
101.02316	3.3
109.02840	1.7
111.00771	5.7
113.02335	1.7
119.03413	0.8
124.01581	3.8
125.05971	0.9
125.09652	1.2
127.11163	3.1
128.03427	1.5
134.60158	0.6
137.02338	58.7
138.02664	2.0
143.04549	2.2
160.00597	0.7
161.04457	1.1
171.10164	1.7
173.00894	1.3
181.01326	2.1
191.01891	0.7
199.09766	0.8
201.11253	51.2
202.11604	1.9
209.02898	0.8
212.42528	0.7
213.05399	0.8
216.04225	1.2
227.03510	1.5
228.04144	1.7
229.05003	7.2
230.05803	20.2
231.06548	16.5
232.06979	1.0
253.09302	9.5
256.03757	28.4
257.04236	2.5
274.04831	45.3
275.05341	5.5
306.07690	3.2
343.06720	1.8
419.09903	5.0
437.10861	100.0
438.11176	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2754
Annotation	(-)-Salvisyriacolide
Peak:m/z	Relative Intensity
57.03315	3.1
57.34194	2.4
59.01249	14.8
65.64008	2.1
69.03321	2.2
69.22296	2.3
69.94527	12.9
73.85345	2.6
77.62436	2.6
83.04897	14.5
85.06490	3.0
93.03337	3.5
97.06474	4.1
107.08549	2.9
109.06503	4.2
111.08018	7.0
123.08035	2.6
125.09644	15.5
125.30264	2.4
137.09608	3.3
151.11186	3.1
171.10181	8.5
205.15857	9.3
207.13806	4.6
209.11821	3.3
210.08617	3.4
211.13332	14.5
213.12767	2.7
221.15341	5.7
231.13885	10.4
233.15439	34.6
234.15617	3.8
237.45444	2.9
247.16913	7.7
249.14948	44.9
250.15271	3.0
263.16684	2.8
266.15265	3.2
276.14322	2.8
297.82629	2.5
331.26355	3.2
339.23541	3.6
341.24969	5.8
359.25815	2.8
367.23047	2.9
369.07001	2.8
373.27557	3.4
385.23865	18.3
386.24692	2.8
400.00742	2.7
403.24832	10.9
417.26471	100.0
418.26672	13.0
435.27533	45.1
436.27740	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	436.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02853	12.5
58.99469	4.4
61.71980	2.2
71.14749	5.6
72.00787	4.8
74.02343	33.4
82.02855	3.7
82.75816	2.5
86.02345	12.0
86.98980	2.5
87.05514	8.2
89.68042	2.8
97.03933	3.4
99.05534	24.7
101.07082	4.8
102.05459	5.6
109.04021	2.7
121.69762	2.6
123.05553	2.8
127.05034	5.7
128.03438	71.0
135.05533	5.4
141.06595	5.5
143.04530	100.0
145.06128	3.5
146.04497	10.4
153.06586	5.2
160.00647	20.1
166.09679	3.3
167.04532	6.6
167.08177	4.7
177.03271	5.7
177.88904	2.8
179.04581	18.3
185.05534	2.7
197.05670	5.4
210.08813	22.6
254.07816	18.1
272.08829	31.5
288.06479	6.4
306.07645	93.3
307.07803	5.1
332.09140	5.2
372.07394	2.9
436.14185	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	435.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	6.6
59.01247	20.2
66.77579	1.9
71.01260	16.0
71.02361	2.5
71.57055	2.4
73.02826	3.2
73.03947	6.0
78.95785	14.6
83.04890	2.0
83.67254	2.1
85.02828	6.1
89.02341	3.6
94.16869	2.0
96.95890	2.0
97.43173	2.4
99.08039	54.5
101.02338	6.8
101.05990	5.2
105.11493	2.2
113.02340	8.4
117.19844	2.1
127.07552	66.7
128.07892	3.5
129.05475	100.0
129.10220	3.4
130.06047	2.6
133.04944	2.9
143.04581	2.9
144.10803	2.1
147.04417	2.9
152.99591	12.5
153.05489	32.7
161.04489	7.4
164.07089	10.1
168.11299	3.9
171.06561	15.8
186.12386	7.3
204.34349	2.3
225.13475	7.2
263.11234	13.8
307.10495	2.1
332.15225	3.0
349.18228	2.5
361.22598	5.5
391.19803	7.7
435.17499	31.3
435.22687	22.5
436.18497	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	435.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	94.7
59.01242	100.0
61.98687	17.2
64.88421	17.4
71.01247	28.2
73.56142	20.1
78.95782	46.9
99.04390	57.3
101.02313	30.2
128.03442	28.0
130.33382	22.2
138.27660	21.5
152.99458	46.6
273.68387	22.6
331.19217	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2518
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
60.13695	0.2
62.96270	0.3
67.62461	0.3
69.54327	0.3
69.72604	0.3
70.16026	1.3
78.95779	57.3
79.85296	0.3
82.50776	0.3
84.51424	0.3
96.96846	5.4
110.38637	0.3
120.10702	0.3
123.00806	0.3
127.18562	0.3
150.97948	1.7
150.98911	0.3
152.99496	100.0
153.99849	1.3
171.00583	3.2
210.45500	0.3
247.56371	0.3
267.23383	1.0
281.24918	1.0
435.25177	7.2
436.25439	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27625	0.4
53.89140	0.4
57.03327	1.1
58.89890	0.4
59.01251	5.0
63.86785	0.4
69.03330	1.6
69.81061	2.3
70.18477	0.4
71.01255	7.0
71.04906	2.0
73.02830	2.6
83.01271	0.8
85.02818	3.7
87.00746	0.7
89.02287	0.4
93.03359	0.9
93.06972	1.9
96.95917	0.5
99.00745	1.7
101.02325	5.9
106.04048	0.4
111.08030	0.6
113.02338	2.8
121.06479	6.2
139.07545	100.0
140.07881	3.8
159.02937	0.5
161.04466	5.7
191.01862	0.4
192.39799	0.4
199.09592	0.7
199.13309	0.5
267.34543	0.5
269.10266	8.7
287.99225	0.4
352.46710	0.4
396.14914	0.5
399.94992	0.4
405.43893	0.4
417.22797	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15843	0.3
56.17472	0.4
57.03314	1.0
59.01250	2.8
61.98700	0.8
67.05402	0.9
69.02977	0.4
69.03330	1.6
69.28609	2.0
69.29038	1.6
71.01255	3.7
71.04891	1.6
73.02820	1.4
83.01247	0.5
85.02839	2.2
93.06973	0.5
95.08564	0.5
96.95916	0.4
99.00750	0.4
101.02329	3.2
113.02335	1.6
121.06476	3.8
122.87729	0.3
139.07547	100.0
140.07884	3.9
159.02956	0.5
161.04501	3.0
199.09735	0.3
269.10239	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	435.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
66.97485	9.7
69.62844	63.1
79.76632	9.4
87.00762	32.9
90.20621	9.0
93.03952	8.7
96.96806	8.8
98.19831	17.5
107.04901	21.6
110.02330	60.6
110.40844	8.4
111.00728	12.9
111.45125	9.6
129.10258	11.2
164.29100	8.7
175.51176	10.4
181.09750	46.6
201.08783	15.6
210.33467	11.2
223.10855	25.7
261.10989	48.8
262.90454	9.8
275.10397	100.0
355.11349	17.1
399.10046	10.1
417.11420	40.5
435.12473	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92560	1.4
57.03332	7.8
58.02843	6.6
59.01266	1.8
62.39300	1.6
71.56487	2.5
71.56900	2.2
84.04455	2.1
85.02835	7.6
87.00760	46.8
95.59840	1.8
100.07238	1.7
107.04905	33.4
109.01549	2.4
109.02859	2.6
110.02366	100.0
111.00774	22.3
112.98707	7.1
123.03127	1.9
129.10246	20.6
132.93822	1.4
133.04977	1.9
133.23932	1.7
155.11839	5.2
164.07101	3.3
165.08934	1.7
171.11310	1.7
173.00900	2.5
179.11858	2.6
181.09760	74.5
183.07663	4.4
199.10852	5.8
201.08728	6.2
207.07672	4.7
223.10834	29.9
225.08759	5.1
243.09955	2.0
249.12418	4.4
261.10880	46.6
275.10385	94.5
276.10736	6.5
277.08417	7.7
293.11530	5.0
295.09399	5.1
303.12149	2.5
319.09424	4.9
337.10394	2.7
339.08173	2.3
355.11465	12.5
357.09396	4.9
375.10458	4.7
381.09317	4.9
399.10519	13.9
417.11484	34.1
418.11563	2.7
435.12570	36.6
436.12552	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	434.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38371	0.6
59.01251	1.8
68.02386	1.8
78.95773	1.0
80.96405	1.4
88.03909	3.7
99.92465	1.0
119.36366	0.6
126.99454	22.4
127.99813	1.0
136.05023	3.6
150.06630	3.7
152.99451	1.2
155.87222	0.6
160.05093	1.1
166.09772	100.0
167.10208	3.4
178.06137	1.2
180.07689	1.7
198.08807	1.1
202.39529	0.7
210.08784	45.7
211.09201	2.9
220.10851	1.3
249.14914	0.6
250.15642	1.7
266.22052	1.7
294.14627	0.7
390.20020	1.1
434.14899	5.0
434.72678	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1964
Annotation	Cryogenine
Peak:m/z	Relative Intensity
58.02855	16.9
59.01257	8.0
66.03354	1.4
67.30868	1.1
70.60130	1.0
71.01269	2.6
72.36304	0.9
74.02347	29.8
81.04464	2.6
82.02850	3.2
84.04401	2.2
85.02816	1.4
86.02337	11.2
86.05973	1.9
87.05515	6.8
88.03934	1.7
89.02317	2.4
95.02341	1.0
96.04441	1.8
97.03940	3.9
99.05519	23.9
101.07098	6.3
102.05489	4.5
107.06018	2.3
108.04462	0.8
109.03938	5.1
109.07553	1.9
110.06051	0.9
111.05501	3.4
112.03934	3.1
113.03390	1.0
117.82867	0.9
118.12324	0.8
123.05541	1.0
124.03937	1.4
125.03471	4.1
126.01804	1.0
126.04233	1.7
127.05014	4.9
128.03429	75.0
129.03775	2.3
135.05536	10.3
137.07059	1.4
141.06583	4.2
143.04526	100.0
144.04918	2.2
145.06073	4.1
146.04501	11.6
153.06593	8.8
155.08138	1.3
161.09982	14.5
166.09732	5.5
167.04497	4.0
167.08205	6.8
170.03242	2.5
171.04044	2.7
179.04547	24.6
180.04839	1.0
181.06020	2.8
184.10895	1.5
185.05569	2.9
192.07755	2.2
197.05617	4.2
210.08763	23.7
211.09102	1.0
220.70332	1.0
228.09793	2.1
248.13258	1.5
254.07802	52.0
255.08109	2.1
272.08881	56.7
273.09189	3.3
286.62527	1.1
305.15457	7.1
416.18521	11.1
417.19217	1.3
434.19644	72.4
435.19708	7.4
448.19739	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	0.4
68.02415	2.1
70.45393	1.0
80.63043	0.5
82.67445	0.4
85.93097	0.4
90.21997	0.4
95.01140	0.5
109.02843	1.6
116.92764	0.6
126.99457	49.2
127.99813	1.4
134.07137	38.9
135.07487	1.8
136.02690	1.4
150.06638	0.9
158.06953	0.4
160.05072	6.0
161.05479	0.4
163.03781	56.9
164.04192	2.3
166.09668	1.1
178.06137	21.9
179.06432	0.9
210.08775	100.0
211.09103	4.9
218.12946	0.4
247.09608	1.7
275.24820	0.4
294.14539	1.7
323.12784	0.4
434.14798	4.8
435.15207	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17858	0.8
55.01750	3.3
56.01521	0.7
57.03323	4.9
58.00458	2.5
59.01250	100.0
60.01600	1.4
68.99686	1.0
69.03332	0.9
70.07733	1.1
70.08141	2.3
71.01253	72.6
71.04935	0.8
72.99170	3.9
73.02817	13.1
75.00753	1.0
75.16936	0.6
80.74638	0.6
83.01254	6.9
85.02821	25.2
85.99965	0.7
86.03198	1.1
87.00310	0.8
87.00737	3.9
87.04393	4.4
88.96387	0.7
89.02315	51.1
90.02663	1.1
95.01252	5.9
96.95914	1.0
97.02846	0.9
99.00750	6.1
99.04356	0.6
101.02321	47.4
101.06008	0.9
102.02693	1.1
102.35634	0.6
107.04836	0.8
111.71056	0.6
113.02329	28.4
118.14617	0.6
118.60017	0.7
119.03389	24.1
120.01125	6.1
125.02348	1.9
129.01804	0.7
131.03392	3.1
138.03101	1.1
139.11194	0.8
140.33850	0.6
143.03419	6.1
149.04550	3.3
152.78008	0.7
153.05527	1.1
159.02913	4.5
159.06558	2.2
161.04462	25.2
162.04871	1.2
168.04219	2.0
179.05521	10.8
183.10193	7.5
191.03384	0.7
191.47035	0.7
192.04176	0.7
193.01508	0.8
194.05820	0.9
197.11821	0.9
205.03433	0.8
207.06592	1.6
208.03716	1.3
209.08174	1.1
209.11957	0.9
223.06082	3.2
235.13412	1.9
249.10213	0.8
253.14461	1.7
269.13104	1.6
271.19156	8.8
272.19492	0.9
313.11951	5.4
319.17685	3.0
345.19177	5.5
415.19357	1.4
415.24069	0.9
433.24521	46.7
434.24911	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	433.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.7
57.03320	2.4
58.00457	1.5
58.02848	0.8
59.01249	100.0
60.01596	1.0
69.03328	0.9
71.01250	55.4
71.57864	0.3
72.01579	0.7
72.99174	3.2
73.02814	9.4
74.02356	2.1
75.00756	0.9
81.03326	0.5
82.02843	0.4
83.01257	5.6
85.02821	17.3
85.99963	0.7
86.02369	0.8
87.00742	3.5
87.04391	3.3
87.05530	0.4
89.02313	33.4
93.03331	0.5
95.01268	3.8
95.04904	0.4
96.95853	0.6
97.02821	1.0
99.00755	3.7
99.05520	2.0
101.02319	33.5
101.07039	0.3
102.02653	0.8
102.05447	0.6
109.03925	0.4
111.00735	0.6
112.75454	0.3
113.02325	22.2
113.05913	0.4
114.02667	0.8
115.03921	0.4
119.03389	16.3
121.02814	0.4
125.02312	1.1
125.03423	0.3
125.53674	0.3
127.04964	0.4
128.03426	5.4
129.01871	0.6
131.03401	1.8
133.04961	1.0
135.05539	0.6
137.06982	0.3
141.06569	0.5
143.03397	3.7
143.04529	7.1
146.04475	1.2
149.04482	0.9
159.02866	2.8
159.06496	2.3
161.04456	19.7
161.09950	1.1
162.04831	0.6
179.05661	6.7
183.13815	0.7
197.05579	0.5
197.11784	0.8
205.03534	0.8
209.11792	1.1
210.08786	1.9
227.12549	0.4
229.08717	0.5
245.45345	0.4
249.09850	0.9
254.07791	4.3
271.19107	6.9
272.08914	4.6
272.19431	0.7
305.15228	0.5
319.17569	2.1
345.19177	3.0
346.19550	0.6
373.18668	0.4
415.23093	0.9
416.18582	0.6
433.24414	28.3
434.19537	5.0
434.24786	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	433.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91238	0.3
62.96283	0.3
78.95779	69.4
96.96847	6.3
98.19752	0.6
150.97955	1.7
151.98061	0.3
152.99496	100.0
153.99843	1.6
171.00574	3.3
186.88161	0.2
194.13866	0.3
218.37141	0.3
279.23340	1.2
433.23581	9.8
434.23926	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45247	2.5
69.45579	0.3
73.32600	0.2
78.95779	54.7
96.96847	5.5
150.97932	1.7
151.09990	0.3
152.99503	100.0
153.99876	1.3
171.00557	4.2
279.23389	1.0
433.23642	5.0
434.24100	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.5
57.03325	2.1
58.00467	4.2
58.28532	0.3
59.01252	100.0
60.01587	1.0
60.21133	0.3
71.01255	68.2
72.01598	0.8
72.99175	4.1
73.02817	4.8
75.00742	0.4
83.01265	3.7
84.02016	0.5
85.02824	15.7
86.03186	0.4
87.00752	3.4
87.04398	1.8
89.02317	75.1
90.02663	1.2
95.01267	5.0
97.02818	0.5
99.00764	1.7
101.02323	38.2
102.02685	0.5
107.03410	0.5
113.02330	27.3
114.02644	0.8
119.03391	35.9
120.03728	0.5
125.02287	0.9
129.01805	0.4
131.03391	3.9
143.02347	0.5
143.03406	7.0
149.04485	2.7
149.94736	0.3
151.03665	0.3
159.02870	0.8
161.03191	0.6
161.04463	9.3
179.05533	16.3
180.05774	0.4
271.19183	1.6
328.24554	0.3
345.18961	0.4
412.28809	0.4
433.24457	5.7
434.24561	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02141	0.4
57.03315	0.6
59.01251	100.0
60.01575	0.8
61.98674	0.5
65.22423	0.5
71.01247	3.5
71.28716	0.8
72.99139	0.5
73.02821	0.8
75.00748	1.0
78.95783	0.7
83.04902	0.5
85.02836	2.0
87.00758	0.5
89.02312	3.0
89.20653	0.4
101.02335	2.0
109.06422	0.5
111.00786	0.6
111.43677	0.5
113.02358	1.6
119.03421	1.2
136.03963	0.5
143.03394	0.6
165.00084	0.6
197.11801	1.9
235.13405	0.7
247.13499	0.7
271.19101	1.1
433.24307	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00423	0.3
62.82222	0.3
62.96269	0.5
64.08435	0.3
70.92982	0.5
78.95779	58.6
84.13741	0.3
96.96848	6.5
122.57962	0.3
150.97960	1.8
151.71634	0.3
152.99496	100.0
153.99831	0.7
171.00566	4.0
279.23410	1.4
433.23624	7.2
434.23657	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71077	0.3
59.01251	0.5
64.97456	0.2
67.33241	0.2
70.41790	0.3
70.42130	1.2
78.95778	62.7
78.99677	0.3
82.92099	0.3
96.96844	6.0
99.17937	0.2
117.17894	0.3
150.97919	1.4
152.99493	100.0
153.99850	1.5
154.99934	0.4
159.88110	0.3
171.00555	3.7
172.49687	0.3
181.95876	0.3
265.06372	0.3
269.28284	0.3
279.23325	1.4
280.23773	0.3
325.54453	0.3
334.17807	0.3
433.23569	8.9
434.23865	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.6
57.03323	2.0
58.00469	1.7
59.01250	100.0
60.01577	1.2
69.03331	1.3
70.59995	1.7
71.01254	34.2
72.99178	1.9
73.02811	7.1
75.00752	1.0
81.03334	0.7
81.40351	0.5
82.87148	0.5
83.00838	0.6
83.01247	2.6
85.02818	11.1
87.00758	2.0
87.04402	2.0
89.02316	19.7
93.03330	0.8
95.01271	2.2
97.02840	0.9
99.00783	2.5
101.02325	20.9
101.03001	1.0
105.69568	0.5
113.02325	15.1
119.03390	10.3
123.04382	0.9
131.03363	1.7
133.04953	2.0
137.02348	0.9
141.06900	0.6
143.03421	2.4
143.04488	1.1
147.11690	0.6
149.04417	0.6
159.02901	1.7
159.06544	1.1
161.04472	10.9
179.05568	4.9
197.11745	1.3
209.11754	0.7
229.08690	2.4
249.10112	0.6
271.19098	4.1
272.09073	1.2
319.17633	1.3
345.19214	1.4
433.24503	19.8
434.19592	0.7
434.24869	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	433.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57146	3.7
58.00496	3.5
59.01253	100.0
69.36845	16.2
69.37275	18.7
71.01259	70.8
72.01584	3.3
72.99202	6.3
75.00784	4.1
78.95771	25.4
83.23223	3.3
85.02848	11.7
89.02321	89.6
93.03358	15.0
95.01288	6.1
97.61148	3.4
98.19843	8.2
101.02327	38.5
104.08020	3.4
113.02345	32.8
119.03413	25.3
130.08673	5.8
136.64078	3.9
143.03410	5.6
152.99481	16.8
161.04518	13.0
179.05508	23.1
193.77357	4.7
207.08095	6.5
217.03281	13.7
223.07573	32.1
235.07637	8.4
236.04208	3.6
253.08725	22.3
291.74252	3.7
295.09729	11.3
433.20746	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	433.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	16.3
59.01921	1.1
62.80763	1.0
66.39606	0.9
71.01228	1.5
71.29286	1.4
74.72234	1.1
78.95771	4.7
93.03336	24.0
108.02106	1.1
114.05535	1.3
117.03365	1.5
119.04925	9.6
121.02858	24.7
122.03187	1.8
123.04340	1.2
129.28647	1.0
130.04166	2.5
131.04918	6.9
133.06505	1.4
134.03658	1.1
143.04901	6.0
145.06462	3.0
147.04483	1.8
149.06059	5.4
152.99483	2.1
153.13683	0.9
156.05666	1.4
157.06412	1.6
160.05197	1.6
161.05957	3.3
173.05959	1.6
197.11781	1.6
209.05968	1.8
209.11786	1.5
210.06793	3.5
211.07564	3.3
219.08142	1.7
223.07614	4.6
224.08226	1.3
225.09048	1.6
233.09776	2.2
235.07614	2.2
236.08360	3.0
237.09241	5.3
239.07101	7.8
245.06136	1.0
246.06839	1.6
247.07646	4.5
248.08334	3.6
249.09171	4.7
250.10022	1.8
251.10909	2.0
253.08737	13.4
255.06592	3.7
259.07584	3.1
260.08246	3.4
261.09213	10.0
262.09659	1.9
263.10794	1.9
263.79086	1.2
265.12259	3.1
273.09167	4.9
274.09915	2.2
275.10907	1.3
278.09430	2.7
279.10263	7.5
283.09711	4.7
284.09869	1.4
353.11597	1.4
354.12576	2.7
355.13370	34.7
356.13632	2.2
365.11682	2.3
366.12497	3.0
367.13385	51.0
368.13593	5.8
385.14471	100.0
386.14780	12.7
403.15567	3.3
415.15701	8.3
432.24188	1.2
433.16837	2.3
433.24191	3.8
434.16821	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	433.0905
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	17.1
59.01249	12.3
71.01241	1.3
73.02827	0.6
74.02345	0.2
74.78576	0.2
81.03334	0.5
83.01250	0.4
85.02829	0.9
89.02301	0.8
98.20561	0.5
99.04391	14.4
100.04720	0.5
101.02322	3.9
108.02044	0.4
113.02323	0.6
115.05095	0.3
119.03363	0.2
123.04465	0.4
125.02335	10.1
126.02664	0.4
126.99452	100.0
127.99785	2.9
128.03436	0.3
141.07312	0.2
143.00572	0.2
143.03407	0.5
152.01082	0.6
152.49561	0.2
161.04468	0.6
167.03383	1.1
178.58511	0.2
179.05557	0.2
197.11758	1.2
209.11656	0.2
247.70558	0.2
252.13312	0.2
289.04999	1.1
331.05740	0.4
429.75674	0.2
433.08884	0.5
433.20563	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01188	2.9
51.63316	2.6
52.47518	2.4
59.01249	9.7
63.15360	2.8
71.01247	7.7
71.56948	3.1
72.99171	15.3
75.00760	14.6
76.17522	2.8
81.03339	4.6
83.01259	3.5
85.02816	5.3
89.02306	6.0
92.04318	2.6
93.03328	30.6
109.02857	13.2
111.00765	5.1
116.38428	2.6
120.43212	3.0
123.04375	6.1
133.04961	100.0
134.05299	3.8
137.02336	87.4
138.02666	3.8
149.04390	3.8
151.03876	8.8
155.03424	4.6
167.03453	4.9
179.03432	13.3
195.02911	7.6
253.07033	14.0
299.07672	8.4
317.08838	8.5
327.07635	4.1
330.13629	2.7
371.33887	3.3
433.12881	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	433.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39152	14.2
59.01255	89.6
68.02193	16.6
71.56940	22.5
72.99172	23.3
75.00748	23.3
78.95770	15.0
85.61621	17.4
88.38277	13.7
89.02343	19.9
93.03318	28.7
101.02325	20.2
104.34321	14.5
106.49675	15.6
133.04994	79.1
137.02347	100.0
179.03392	16.3
207.11443	15.6
291.90308	16.0
381.27277	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	433.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05569	0.6
58.02966	0.6
59.01252	100.0
60.01582	1.0
60.77847	0.6
68.02396	0.7
71.58412	0.6
71.58800	0.9
78.95770	0.7
85.02852	0.6
93.03362	1.5
94.47262	0.6
97.88350	0.7
101.02344	0.7
123.14243	0.7
125.94856	0.7
126.99476	3.9
127.00346	0.6
141.57101	0.7
152.99493	0.6
157.86249	1.5
162.05557	3.0
179.77199	0.6
197.11838	1.0
241.95782	0.6
242.58514	0.8
269.12375	1.0
288.16760	0.8
361.11316	2.6
397.08987	1.8
433.29123	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	432.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65726	0.4
62.96259	0.4
64.19781	0.3
75.77138	0.3
78.95779	81.3
79.96215	0.8
80.96205	0.8
82.61500	0.3
96.96854	6.2
108.08617	0.4
116.08650	0.4
118.68098	0.4
118.90135	0.4
122.75079	0.4
150.97923	1.2
152.44522	0.4
152.99501	100.0
153.99847	16.9
154.99966	2.6
171.00526	3.6
172.01012	0.6
278.22137	1.0
295.18872	0.3
432.22379	9.4
433.22409	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.5
65.00777	0.3
67.88959	0.3
71.01262	0.3
71.58447	0.3
85.02824	0.3
87.00774	0.3
96.95905	1.5
98.95471	1.2
98.96309	0.3
99.00889	0.3
110.02126	0.3
111.01936	0.3
131.61092	0.3
136.07637	0.4
165.82745	0.3
171.10071	0.4
209.11691	0.5
241.89967	0.4
252.25446	0.3
341.24738	0.9
353.24481	0.6
357.28104	1.8
369.27994	3.7
370.28036	0.5
383.25919	1.0
385.27460	0.4
387.28995	1.1
395.26178	0.5
401.26773	1.7
413.27023	5.7
414.27048	0.8
431.28000	100.0
432.28391	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	432.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00471	0.6
58.72759	0.3
59.01251	100.0
60.01578	1.4
63.03906	0.3
69.03332	0.7
69.45380	1.4
69.45805	1.7
71.01251	14.4
71.11397	0.3
72.99194	1.1
73.02816	13.8
74.42406	0.3
75.00745	3.5
76.01128	0.4
83.01255	3.3
83.80473	0.4
85.02818	3.3
85.03185	0.3
87.00764	1.0
89.02316	8.1
89.02826	0.6
93.03329	3.5
95.01282	1.3
96.95831	0.5
101.02319	13.3
105.01809	0.6
111.00768	0.4
113.02325	8.1
119.03375	3.5
122.05939	0.4
125.02356	0.4
131.03404	1.6
137.09657	0.4
143.03413	1.4
149.04462	2.1
157.64281	0.3
161.04474	6.8
162.04813	0.3
164.07097	0.6
179.05573	3.9
179.17244	0.3
197.11792	1.0
203.05621	0.5
221.06671	1.8
266.10248	0.8
284.11423	4.6
285.11728	0.4
326.12408	6.4
327.12820	0.6
432.17813	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59191	2.4
56.38179	2.8
56.49564	2.8
58.02855	13.8
59.01255	35.1
70.86702	4.9
70.87032	4.8
71.01262	10.7
72.99203	4.8
73.02821	6.9
74.02355	21.2
74.59627	2.9
75.00738	6.8
75.37511	2.6
77.86272	2.9
78.95785	17.5
85.02820	6.7
86.02345	10.8
87.00729	3.1
87.05518	5.1
89.02338	5.3
93.03323	6.9
96.96845	3.3
99.05525	20.4
101.02330	10.0
101.07049	3.1
102.05537	4.3
103.03887	4.7
107.04942	6.2
109.03918	3.2
112.03956	3.2
121.02829	8.6
127.04975	6.2
128.03433	63.7
131.03448	3.4
131.04759	4.1
133.04964	10.8
134.03661	26.9
134.05273	3.8
135.04312	12.9
135.05486	6.2
136.04793	7.5
141.06615	5.3
143.04533	79.6
145.06134	3.6
146.04535	7.5
152.99509	21.4
153.06616	3.9
158.97446	3.0
160.00658	15.3
163.06116	6.3
166.09834	6.6
167.04610	4.5
167.08049	3.3
177.03305	12.4
179.04610	14.3
185.05574	3.9
191.42044	3.0
205.07117	5.8
209.11856	2.7
210.08777	14.3
234.16866	3.8
253.08646	3.6
254.07835	29.3
265.08710	15.0
266.09042	25.8
272.08890	35.0
284.10110	3.4
288.06668	9.8
306.04187	6.2
306.07660	100.0
307.08069	4.6
317.42566	3.1
341.19449	3.4
355.13522	3.5
401.15680	3.0
411.16690	3.3
432.17688	10.7
433.24576	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	431.2799
Annotation	Plakortolide N
Peak:m/z	Relative Intensity
59.01249	1.5
65.00777	0.3
67.88959	0.3
71.01262	0.3
71.58447	0.3
85.02824	0.3
87.00774	0.3
96.95905	1.5
98.95471	1.2
98.96309	0.3
99.00889	0.3
110.02126	0.3
111.01936	0.3
131.61092	0.3
136.07637	0.4
165.82745	0.3
171.10071	0.4
209.11691	0.5
241.89967	0.4
252.25446	0.3
341.24738	0.9
353.24481	0.6
357.28104	1.8
369.27994	3.7
370.28036	0.5
383.25919	1.0
385.27460	0.4
387.28995	1.1
395.26178	0.5
401.26773	1.7
413.27023	5.7
414.27048	0.8
431.28000	100.0
432.28391	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	431.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.5
58.00476	0.6
59.01251	100.0
60.01580	1.1
66.74706	0.6
71.01254	14.0
72.00783	0.8
73.02817	3.9
74.02338	3.8
77.88544	0.5
83.01283	2.2
85.02831	6.3
85.40904	0.5
86.02348	8.9
86.02815	0.7
87.00769	0.8
89.02325	6.3
92.04955	1.5
95.01284	1.3
99.00773	1.8
99.04424	2.3
101.02321	10.6
113.02338	6.0
116.05006	0.6
119.03420	2.5
120.04456	0.7
130.06577	1.1
130.64221	0.6
131.03639	3.9
132.04457	7.7
132.62456	0.6
144.04453	7.3
146.04854	0.5
149.27092	0.5
157.07623	27.6
157.17189	0.6
158.06073	2.3
158.08023	2.1
159.02957	1.9
161.04483	7.9
175.08719	2.2
201.06645	2.1
207.13927	1.4
209.15379	1.0
219.07697	35.7
220.07953	3.2
251.12891	13.1
252.13412	0.9
307.11020	0.7
325.11914	18.9
326.12329	1.7
343.02838	0.5
371.20697	16.8
372.21228	2.0
431.18759	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	431.229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01583	1.0
68.78008	0.5
69.03342	0.6
70.54745	1.7
71.01259	10.5
72.99178	1.2
73.02838	1.6
75.00757	1.5
78.95773	2.7
83.01283	0.6
85.02845	2.4
87.00764	1.0
88.98677	0.6
89.02322	13.0
89.05721	0.6
93.03348	0.8
101.02332	7.4
105.01839	1.6
110.67006	0.6
113.02338	4.9
119.03409	6.4
119.91570	0.6
121.02875	0.9
123.08150	0.6
128.03438	13.5
133.04953	2.9
134.03629	1.6
135.04456	1.7
143.03409	2.1
143.04546	0.6
143.07062	0.5
149.04549	0.8
152.99500	3.7
161.04459	3.7
178.62599	0.6
179.05557	4.1
180.03062	0.5
188.68678	0.5
191.14304	0.6
195.10269	1.2
203.08249	1.2
209.11807	0.8
211.03876	0.6
226.09094	1.4
227.03470	10.5
228.03967	0.8
229.05086	2.3
238.66862	0.5
255.02977	14.2
256.03632	2.1
257.04669	1.2
265.08716	3.0
283.09723	0.6
284.03275	12.5
285.04022	21.8
286.04535	1.8
371.20682	4.9
378.81485	0.6
423.97119	0.6
431.09836	10.8
431.15045	1.3
431.22943	2.1
432.09970	1.2
432.18161	8.9
432.23331	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55163	0.3
70.15601	1.6
78.95777	63.7
96.96844	6.3
98.20434	0.4
150.97928	1.9
152.99493	100.0
153.99867	0.9
171.00577	3.4
228.12592	0.3
257.31592	0.4
270.42929	0.4
277.21722	0.9
428.98889	0.4
431.22046	7.0
434.87189	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.0
68.02401	0.7
70.10510	0.6
70.10907	0.4
78.95773	63.0
87.18136	0.2
90.19933	0.2
96.24303	0.2
96.95899	2.8
96.96834	5.7
98.19859	0.3
110.98405	0.3
126.99443	0.4
132.13376	0.2
150.97903	1.9
152.99484	100.0
153.99771	1.4
156.42175	0.2
167.01064	0.3
171.00562	4.0
176.13857	0.2
183.01080	0.4
263.20206	1.6
277.21756	0.6
286.81915	0.2
297.14963	0.2
311.16760	1.3
431.21994	6.4
432.22339	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.0
57.03330	0.9
59.01254	100.0
60.01600	1.2
71.01256	10.1
71.56618	0.5
71.57068	0.4
72.99193	1.1
73.02819	3.2
75.00760	0.8
78.95766	3.0
79.60961	0.4
83.01275	1.4
85.02831	4.1
86.02348	0.9
87.00755	1.0
89.02316	3.3
95.01289	0.6
97.02823	0.6
99.00787	1.4
101.02328	7.4
107.04926	0.9
113.02325	4.2
119.03427	1.2
121.02856	0.5
128.03415	0.6
133.04976	1.1
134.03671	1.3
135.04430	2.3
143.03456	1.0
143.07091	0.6
150.26175	0.4
152.99504	4.0
157.07660	1.6
159.02910	1.3
161.04469	5.7
195.67880	0.4
203.08243	1.2
205.03452	0.6
209.11816	0.7
209.15454	1.1
219.07790	2.5
221.69186	0.4
241.06563	0.6
241.12035	0.5
265.08679	3.7
299.19138	0.4
325.11945	0.7
343.21371	0.6
371.13544	0.6
371.20752	14.3
372.21243	1.1
393.82257	0.5
431.22974	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27584	0.2
53.72120	0.3
60.70747	0.2
61.53352	0.2
62.96272	0.3
66.01394	0.2
69.53835	1.2
69.54263	0.9
78.30435	0.2
78.95780	59.8
96.96851	7.1
108.82064	0.2
120.43580	0.2
141.33856	0.3
150.97913	2.2
152.99498	100.0
153.99861	1.4
171.00552	3.6
197.47443	0.3
268.65591	0.3
277.21802	0.6
431.21985	2.9
432.22253	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20087	0.2
51.64309	0.2
57.71784	0.3
59.09388	0.3
62.96257	0.3
66.06306	0.3
69.26112	0.3
69.26261	0.4
69.26701	2.6
69.86675	0.3
71.64512	0.2
78.95776	59.2
89.76184	0.2
96.96844	7.2
113.24686	0.3
150.97945	1.6
152.99492	100.0
153.99838	1.4
171.00548	3.3
259.57718	0.2
277.21750	0.7
431.21982	3.9
432.22470	0.4
445.03732	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41471	0.3
56.93816	0.3
69.33164	2.9
78.95776	39.4
96.96841	4.9
150.97920	1.1
151.38731	0.3
152.99492	100.0
153.99805	1.4
171.00554	4.0
209.30495	0.3
223.80421	0.3
277.21844	0.8
354.98416	0.3
355.57962	0.3
370.27887	0.3
431.22025	5.5
432.22287	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2204
Annotation	PA(18:3(6Z,9Z,12Z)/0:0)
Peak:m/z	Relative Intensity
53.52599	0.3
59.01254	0.6
70.33075	1.3
70.43958	0.4
74.14262	0.4
78.95775	64.6
96.70582	0.3
96.96836	6.8
98.20472	0.5
150.97916	1.7
152.99487	100.0
153.99847	1.0
171.00554	2.9
177.03735	0.4
277.21823	0.6
431.22018	6.8
432.22391	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01737	0.9
57.03305	1.7
58.00462	2.3
59.01250	64.3
69.61414	2.6
69.61823	2.8
71.01250	28.3
72.93024	0.7
72.99181	3.6
73.02811	2.5
75.00727	1.5
76.02131	0.8
77.07253	0.7
83.01239	1.7
85.02821	7.9
86.44138	0.7
87.00774	1.2
89.02319	21.1
95.01228	2.0
99.04391	20.5
101.02322	14.5
105.01795	2.3
111.04366	0.8
113.02323	9.8
119.03384	8.7
121.06487	1.4
128.03413	2.3
143.03383	1.7
143.04474	1.3
161.04468	2.2
163.03896	1.7
172.85257	1.0
179.05495	2.0
180.60493	0.8
189.12831	5.0
203.08145	1.8
207.13853	27.4
208.14154	1.0
209.11728	5.4
212.35683	0.9
227.12804	2.7
233.11728	1.4
239.80573	0.8
247.76524	0.9
251.12857	100.0
252.13264	9.4
260.40732	0.8
269.13785	2.2
272.08810	1.1
371.20599	2.6
428.83096	0.9
431.19116	42.9
432.19327	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	431.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.7
58.00463	2.7
59.01252	68.0
67.16611	0.6
70.82380	1.8
70.82727	1.2
71.01251	31.2
72.99178	2.3
73.02829	2.6
78.83287	0.7
83.01268	1.6
85.02830	6.7
87.00744	1.5
89.02320	29.7
95.01276	2.1
99.04396	17.5
100.04731	0.7
101.02331	13.7
109.50542	0.7
113.02333	10.0
119.03387	11.2
121.06516	1.0
132.04475	1.0
143.03415	2.1
157.07642	1.8
161.04468	1.9
163.14795	0.8
169.66513	0.7
175.60149	0.8
179.05476	3.3
189.12772	3.8
207.12001	1.4
207.13852	19.4
208.14301	0.8
209.11778	1.7
219.07707	2.3
251.12874	100.0
252.13184	7.6
252.58678	0.8
258.21768	0.7
269.13907	1.1
325.12106	1.4
371.20963	1.8
431.19196	30.1
432.19418	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.7
57.03329	1.2
59.01251	100.0
60.01587	1.4
69.03317	0.3
69.39489	3.1
71.01254	8.8
72.99169	0.4
73.02815	3.2
83.01270	1.8
83.01791	0.3
85.02821	5.4
87.00739	0.4
89.02312	2.1
95.01289	0.8
96.95899	0.3
99.00776	1.5
99.04397	0.4
101.02327	7.7
113.02330	4.7
119.03424	0.5
125.20537	0.3
131.03412	0.4
143.03406	0.6
159.02954	1.0
161.04465	10.2
162.04858	0.5
179.05574	0.4
200.39645	0.3
205.03435	0.4
230.10052	0.3
358.65924	0.3
371.17093	10.3
371.21603	0.7
372.17554	1.4
379.97156	0.4
413.46298	0.4
417.64502	0.4
431.19522	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88859	2.8
51.38618	2.8
57.03323	11.2
59.01256	100.0
61.85287	2.6
67.82394	2.5
69.91776	16.6
71.01254	45.0
72.99191	6.7
73.02816	35.1
74.95291	3.5
85.02827	13.7
86.27792	2.7
87.00745	8.8
87.04379	3.2
89.02352	20.1
91.42085	3.0
94.71063	3.2
95.69014	3.8
99.04385	6.4
101.02321	55.6
103.03891	24.2
113.02324	5.3
115.03917	6.3
119.03381	12.7
121.02888	4.2
125.02328	15.8
131.03383	9.2
143.03404	11.1
143.59134	2.9
145.04961	11.1
152.99573	3.7
161.04526	3.4
163.06052	83.3
205.07121	20.5
265.09341	6.1
309.14511	6.3
320.15247	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	431.1712
Annotation	Effuside II
Peak:m/z	Relative Intensity
55.01762	1.6
57.03315	0.9
58.00472	0.9
59.01254	12.6
60.01586	0.2
68.99696	0.3
69.03318	0.4
69.99563	1.0
71.01258	8.2
72.01574	0.3
72.99177	1.6
73.02819	3.0
78.57700	0.2
78.95772	1.0
83.01263	2.9
85.02826	4.6
85.99978	1.3
87.00764	1.0
89.02319	1.4
93.03340	3.8
95.01265	0.8
97.02841	0.2
99.00751	0.8
101.02328	6.0
103.14457	0.2
107.04890	0.2
111.00774	0.8
111.50711	0.2
113.02328	2.1
116.77252	0.2
119.03422	0.5
121.02834	0.7
133.06416	0.2
135.04401	0.4
152.99495	0.7
175.07587	0.6
209.06026	0.7
210.06816	2.5
211.07332	0.3
223.07607	2.0
224.08376	1.6
225.09044	0.4
237.09120	0.4
239.10803	0.3
251.10789	1.1
252.11342	0.2
256.07455	0.4
265.08643	0.4
267.10284	0.3
268.03751	0.7
269.11829	57.5
270.12152	4.7
270.14798	0.4
311.12872	0.8
336.43195	0.2
337.81659	0.2
382.59854	0.3
390.67566	0.2
431.17096	100.0
432.17462	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	431.1561
Annotation	Zizybeoside I
Peak:m/z	Relative Intensity
50.09972	2.4
55.01756	4.8
57.03336	5.7
58.00494	2.2
59.01250	52.6
67.02938	2.1
69.84055	2.5
71.01257	50.0
71.49272	5.3
72.99178	19.2
73.02826	16.4
74.02332	2.5
75.00734	13.6
78.95773	7.8
83.01249	6.8
85.02825	29.2
87.00732	2.6
89.02328	14.1
95.01266	4.5
99.00748	7.7
99.23623	2.2
101.02326	55.9
113.02315	18.6
119.03407	6.7
130.08627	4.0
131.04509	4.4
143.03375	3.6
147.06534	100.0
152.99521	12.9
159.02867	6.0
161.04474	17.0
203.12799	17.0
269.10327	29.7
314.47290	2.7
357.17615	3.0
409.79803	2.5
431.15811	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1557
Annotation	8-O-Acetylmussaenoside
Peak:m/z	Relative Intensity
59.01251	100.0
60.01581	1.2
70.64606	2.8
71.01258	6.8
73.02824	1.6
75.00755	1.0
82.18150	0.9
85.02830	2.3
85.90292	0.9
89.02318	1.9
97.02832	0.9
101.02330	5.5
111.00764	1.2
113.02348	2.4
119.03360	1.7
137.02361	2.5
149.02344	1.1
149.05940	1.2
161.02350	2.4
161.04460	4.1
170.11038	0.9
176.04745	2.2
177.54572	1.0
179.03445	3.5
187.44177	1.0
191.02016	1.2
194.05789	6.0
209.08134	21.9
269.10300	3.2
283.04712	1.1
421.36368	1.0
431.15567	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	431.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55580	0.3
59.01250	100.0
59.68138	0.3
60.01585	1.0
69.03323	0.2
69.36497	2.2
69.36908	0.4
71.01252	1.6
73.02822	0.4
85.02831	1.3
98.20499	0.4
100.86568	0.3
101.02350	1.0
103.91923	0.3
109.19315	0.3
112.86808	0.2
113.02333	0.4
125.85091	0.3
126.99458	28.8
127.99814	1.2
128.45139	0.3
137.02391	0.3
148.23549	0.3
152.09955	0.3
161.04494	0.8
166.26221	0.3
203.41603	0.2
228.48303	0.3
346.29407	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01581	1.0
71.01263	0.5
71.58634	0.2
72.75269	0.1
73.02838	0.2
85.02843	0.5
85.78091	0.2
95.43334	0.1
96.01981	0.2
101.02335	0.4
110.41177	0.2
113.02330	0.3
126.99454	17.4
127.99807	0.4
132.16502	0.2
133.02846	0.2
133.64722	0.2
139.68282	0.2
151.52365	0.1
161.04442	0.4
193.26067	0.2
220.03722	0.2
264.12930	0.2
339.19656	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.3
59.01255	5.8
69.40802	0.6
69.41201	2.5
71.01254	1.0
73.02827	0.5
78.95779	1.3
85.02840	0.3
87.04404	1.2
89.02313	0.5
91.03893	0.9
93.03318	1.7
95.04892	0.3
101.02350	0.6
117.03351	2.6
119.04921	47.6
120.05269	1.5
121.02842	1.8
123.04399	0.5
125.09667	0.4
133.06488	0.4
133.13747	0.3
135.04428	0.7
135.08015	0.7
145.02878	0.7
147.04422	1.1
152.99496	2.1
163.03926	100.0
164.04263	3.4
171.10181	1.0
201.11147	0.3
203.07997	0.4
209.11720	0.8
249.14815	0.6
251.12866	0.5
265.08450	0.3
269.08286	0.4
275.15173	0.3
281.17545	0.5
299.18604	0.4
301.20560	0.3
339.21854	0.4
357.22876	1.7
371.12946	0.6
383.13019	0.8
431.14386	1.5
431.22867	0.7
432.14374	0.4
445.15698	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1347
Annotation	7-Hydroxy-3',4'-methylenedioxyflavan 7-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.92019	0.8
54.52652	1.1
58.00473	1.0
59.00991	1.5
59.01259	20.4
60.29869	1.0
65.12561	1.0
71.01258	9.5
71.57571	0.7
73.02856	1.1
78.95779	4.3
83.01227	1.1
85.02838	3.4
89.02325	7.2
90.13497	0.9
101.02325	7.6
113.02335	3.7
119.03436	2.7
121.02811	2.9
122.34405	0.9
125.15108	1.0
149.04515	1.2
152.99464	3.0
188.61082	0.8
192.93663	0.9
205.06493	1.3
221.05997	1.2
223.07590	1.4
230.39352	1.0
233.05995	12.1
236.51021	1.0
239.07120	1.3
251.07126	10.3
269.08200	100.0
269.11642	6.8
270.08585	7.0
429.90866	1.0
431.12939	5.0
431.17212	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	431.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.3
59.01255	5.8
69.40802	0.6
69.41201	2.5
71.01254	1.0
73.02827	0.5
78.95779	1.3
85.02840	0.3
87.04404	1.2
89.02313	0.5
91.03893	0.9
93.03318	1.7
95.04892	0.3
101.02350	0.6
117.03351	2.6
119.04921	47.6
120.05269	1.5
121.02842	1.8
123.04399	0.5
125.09667	0.4
133.06488	0.4
133.13747	0.3
135.04428	0.7
135.08015	0.7
145.02878	0.7
147.04422	1.1
152.99496	2.1
163.03926	100.0
164.04263	3.4
171.10181	1.0
201.11147	0.3
203.07997	0.4
209.11720	0.8
249.14815	0.6
251.12866	0.5
265.08450	0.3
269.08286	0.4
275.15173	0.3
281.17545	0.5
299.18604	0.4
301.20560	0.3
339.21854	0.4
357.22876	1.7
371.12946	0.6
383.13019	0.8
431.14386	1.5
431.22867	0.7
432.14374	0.4
445.15698	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0982
Annotation	LMPK12110338
Peak:m/z	Relative Intensity
50.06045	1.5
59.01251	23.6
67.80276	1.5
71.01257	7.6
71.57597	1.3
73.02806	2.6
77.03842	2.9
77.17661	1.4
78.95778	8.1
79.01766	1.9
80.04190	1.2
85.02826	1.9
89.02334	4.2
92.42012	1.4
93.03330	3.2
95.50741	1.5
96.96836	1.5
101.02327	3.7
113.02370	2.1
117.01876	2.9
117.03358	11.7
119.04947	1.7
121.02840	4.6
124.53328	1.4
135.04459	4.0
149.02324	3.0
151.07661	1.7
152.99542	4.0
159.04460	2.4
161.02371	5.1
163.03932	3.7
197.06000	1.3
219.71756	1.3
233.06017	4.0
239.07138	2.5
251.07088	14.4
252.07803	1.7
253.08606	1.8
265.08737	1.6
268.03662	1.8
269.04602	4.1
281.04553	6.5
282.05304	5.8
283.06110	53.8
284.06451	2.8
293.43289	1.5
295.06165	2.9
311.05597	100.0
312.05975	7.6
314.04205	1.8
323.05670	7.2
341.06680	17.2
342.06750	2.0
413.09277	1.9
431.09839	42.8
431.19250	4.6
432.10117	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	429.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37671	0.4
58.59172	0.4
59.01249	100.0
60.01588	1.3
68.02407	0.7
89.02320	0.8
91.03893	1.4
96.95922	1.0
116.36768	0.4
118.89843	0.4
134.89339	0.4
195.13860	0.7
230.08337	0.4
277.21918	1.1
295.22742	9.5
295.25854	0.5
296.23224	1.0
311.17117	0.5
338.86020	0.4
414.97617	0.4
429.15631	0.7
429.30286	1.1
430.30048	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86304	2.5
57.03315	11.5
58.02850	37.0
59.01250	18.0
68.02408	27.8
71.01254	4.9
72.60944	2.6
78.95786	4.5
88.98687	8.4
89.02332	7.1
93.03333	4.8
96.31401	2.4
96.95895	18.9
98.20657	5.3
99.08011	3.6
101.02306	6.4
106.04114	9.8
107.04942	3.5
108.02046	3.6
113.09603	4.8
119.04919	35.0
125.09636	3.2
126.99475	5.7
128.99188	4.8
129.09134	5.0
132.92754	2.6
136.07591	4.7
139.11214	5.8
149.04478	2.8
151.11157	3.7
152.99506	9.3
165.02197	2.8
168.13863	5.1
176.35608	2.6
178.08661	4.7
182.15475	3.9
186.31366	2.8
198.15047	3.2
205.12036	17.6
206.12404	5.3
210.14880	6.6
212.45251	2.6
227.03464	7.0
248.44099	2.8
255.03052	11.3
272.16547	7.5
284.03375	10.9
285.04041	24.4
286.18274	7.3
288.19638	15.8
290.17560	3.5
300.19684	56.8
301.20047	3.5
302.21326	13.2
312.19644	19.4
316.19153	41.2
318.20847	11.9
330.20721	100.0
331.21173	12.0
384.28983	3.2
394.27573	11.6
395.27988	3.2
412.28525	83.8
413.28973	12.9
430.29712	93.8
431.09677	20.6
431.29703	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	429.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
61.91345	0.7
69.51321	1.1
69.51723	3.8
70.21996	0.5
71.30805	0.6
79.01782	1.1
106.90524	0.5
111.04394	4.9
123.04416	1.8
151.03906	5.8
160.00737	0.6
165.05473	1.2
177.01808	1.1
177.09131	0.7
180.04225	2.3
191.10751	1.1
193.05008	1.7
193.08670	1.6
200.75929	0.8
203.07040	3.0
207.06525	5.9
208.07298	5.3
209.07892	1.0
209.15503	0.6
219.06612	1.2
221.08139	68.9
222.08794	14.4
223.09293	0.8
226.62746	0.6
233.08144	7.4
234.08800	0.8
235.09720	9.8
235.16939	0.7
247.09688	2.0
249.11110	0.6
275.12927	0.7
277.10764	1.6
287.12943	1.8
289.14621	0.9
303.15939	1.0
317.13983	0.7
343.18884	1.0
345.16986	1.3
359.18713	1.8
360.19391	1.9
385.27628	0.7
429.26425	100.0
430.26746	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	429.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49921	1.9
56.62040	2.0
59.01254	100.0
66.18788	2.0
70.93375	6.2
78.95774	45.1
90.14384	1.7
90.51243	2.1
91.03903	2.2
96.96854	6.8
112.94306	2.5
152.99495	83.9
171.00548	5.4
174.32840	2.5
233.05919	2.3
295.22830	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.3
76.13776	0.8
99.92443	5.0
100.93234	3.6
104.42233	0.9
109.02802	1.0
111.04403	4.9
115.91953	100.0
116.91951	7.1
116.92725	5.1
117.75594	0.9
123.04388	1.8
132.92245	1.1
151.03912	8.8
172.95367	5.0
177.01852	0.9
177.09227	1.2
179.03416	1.9
180.04193	4.1
193.08565	2.1
203.07079	3.0
207.06541	5.8
208.07289	2.4
221.08130	83.5
222.08847	23.1
223.09410	0.9
233.08081	4.5
235.09706	5.2
303.16513	0.9
309.92941	0.8
381.17343	1.0
429.20108	4.1
429.26395	85.4
430.26697	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	429.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64801	4.1
57.03314	23.8
59.01249	100.0
68.93652	3.9
71.01260	43.6
71.58090	5.9
72.99155	5.3
73.02824	10.9
78.95787	8.5
85.02834	18.0
87.00771	12.8
89.02319	15.0
99.00778	5.5
101.02315	25.8
113.02360	19.7
130.08635	10.0
131.03391	13.4
137.09659	9.5
152.99521	5.6
159.02913	4.5
161.04515	24.3
192.11510	14.2
198.09038	4.9
205.12337	6.3
207.13832	61.3
221.06644	36.4
230.73380	5.6
237.60353	4.8
247.83177	4.4
249.11215	9.7
369.19254	11.3
387.20319	12.9
429.17014	7.8
429.27469	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	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46812	0.6
57.03328	1.9
59.01253	100.0
67.68521	0.6
71.01255	18.0
71.58097	0.6
72.99203	0.8
73.02821	4.2
74.02354	0.7
78.95766	1.4
83.01247	1.1
85.02829	6.5
87.00769	1.8
89.02307	3.3
95.01265	0.8
96.95905	1.7
99.00765	1.4
101.02330	8.4
110.03089	0.6
113.02329	6.9
114.62423	0.7
129.04994	0.6
131.03432	0.9
137.09622	0.8
143.03488	0.7
152.99548	1.0
159.02930	1.9
161.04478	12.2
192.11517	0.6
201.14966	4.0
207.10320	0.8
207.13826	4.5
223.13435	1.8
267.12555	1.8
338.95618	0.7
429.21396	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.4
59.01252	100.0
60.01583	2.1
71.01255	27.5
71.57346	1.3
71.57707	1.8
73.02821	16.2
74.02359	1.3
78.95796	4.1
83.01257	6.7
85.02840	6.1
85.45522	1.2
87.00790	1.8
88.03928	3.7
89.02313	12.3
96.37019	1.3
96.37651	1.4
99.00777	1.3
101.02328	23.2
103.59372	1.1
113.02347	10.9
119.03382	4.6
128.03450	1.4
130.08673	1.9
131.03340	1.3
143.03391	1.7
152.08379	4.3
161.04465	5.0
171.10199	3.2
199.09644	1.4
225.11302	1.4
225.14876	3.3
231.15936	2.7
232.16278	6.6
267.10272	2.8
268.10596	2.2
277.12283	2.3
307.42081	1.1
369.19180	8.5
370.19565	1.4
374.00610	1.3
387.20218	24.8
388.20560	2.5
399.22452	1.5
429.15894	1.4
429.21051	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	429.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27545	0.3
51.75307	0.3
57.03326	0.5
58.00472	1.0
59.01250	100.0
60.01587	0.5
70.44634	1.4
70.44973	0.4
71.01253	20.3
72.99186	1.1
79.64477	0.3
83.01283	1.1
85.02824	3.4
87.00770	1.5
89.02316	24.6
90.02653	0.4
94.64618	0.4
95.01279	1.3
97.91479	0.3
101.02321	8.6
107.04904	0.4
113.02325	7.2
117.56322	0.5
119.03379	9.1
131.03391	0.7
137.01498	0.3
143.03435	1.6
149.04507	0.8
161.04457	1.9
161.13271	0.6
179.05511	4.2
183.68880	0.4
187.11235	0.6
205.12265	0.5
223.13335	2.2
249.11237	0.9
249.77512	0.5
267.12427	2.0
270.81442	0.4
429.18387	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57499	0.3
69.99442	1.2
74.15514	0.3
76.63474	0.3
99.92458	5.9
100.93237	3.1
115.91958	100.0
116.91963	4.8
116.92744	6.2
117.92349	0.3
118.86817	0.3
121.76633	0.3
132.92245	1.1
134.13670	0.3
140.96439	0.3
142.94292	0.3
155.95222	0.3
172.95370	4.6
221.08163	4.2
222.08864	1.3
222.10873	0.3
243.28821	0.3
255.23300	0.8
355.15683	0.6
371.14920	0.3
381.17294	0.8
429.19498	3.7
429.26447	4.1
430.19794	0.7
430.26672	0.4
439.10086	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58687	0.4
58.23056	0.3
59.01249	3.4
71.13562	0.3
71.57361	0.5
74.11081	0.3
78.95779	55.9
90.51509	0.3
96.96841	6.2
150.03717	0.4
150.97935	2.4
152.99495	100.0
153.99809	0.9
171.00560	4.6
196.65439	0.4
275.20224	0.6
361.15320	0.4
429.20288	3.5
452.33298	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66385	0.4
54.59299	0.3
59.01250	100.0
59.30497	0.4
60.01583	0.9
61.98707	0.7
63.22822	0.4
66.01579	0.5
70.34945	0.9
70.35341	0.9
71.01269	0.7
85.02827	0.5
99.92493	1.2
105.65140	0.4
113.02354	0.7
115.92004	1.8
116.47967	0.3
116.92744	2.5
135.29233	0.4
138.08846	0.4
171.10260	0.5
172.16434	0.4
387.20392	0.7
429.15732	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03508	0.9
57.03316	4.0
59.01249	100.0
68.15446	0.8
70.54696	3.3
71.00887	1.8
71.01252	24.1
71.04874	1.3
72.99164	2.3
73.02814	3.3
73.58066	0.8
83.01266	2.9
83.04900	1.2
84.57000	0.9
85.02825	6.6
87.00751	5.2
89.02311	16.2
93.03304	1.2
95.01234	1.4
97.06470	2.7
99.04388	1.8
101.02318	10.7
107.04890	10.1
109.02840	1.3
111.00797	1.0
113.02334	7.7
116.85998	1.0
119.03382	5.4
120.05689	2.5
121.02859	1.3
125.00555	1.5
125.02307	1.1
135.04405	2.8
152.04688	1.4
153.00060	1.9
161.02296	1.5
161.04503	1.9
161.09628	9.1
161.13222	5.2
163.11156	1.4
172.08838	1.1
179.05548	1.9
187.11208	13.4
189.09174	2.9
203.10703	2.4
205.12277	10.0
207.10243	2.5
223.13341	46.7
224.13655	3.6
229.12360	1.7
249.09151	1.5
249.11284	7.9
250.11511	1.0
267.12366	44.5
268.12659	2.7
369.19403	1.7
387.20264	1.3
397.14349	2.0
429.17639	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	429.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.0
58.00468	2.6
59.01250	100.0
60.01579	1.3
60.74775	0.7
71.01252	37.1
72.99186	2.6
73.02826	1.2
81.06964	0.9
83.01275	0.9
83.04906	0.8
85.02814	6.6
87.00767	1.9
89.02316	43.1
89.12729	0.6
95.01263	2.3
98.20666	1.4
99.00799	0.7
99.04411	4.7
101.02321	18.9
111.04417	2.1
113.02326	15.5
117.94791	0.7
119.03391	19.2
119.04243	1.1
131.03415	2.0
143.03432	2.9
149.04489	1.9
150.06737	0.8
161.02293	0.8
161.04497	2.4
161.13271	14.4
162.13686	1.2
179.05527	6.2
187.11194	2.5
205.12274	39.0
206.12651	2.6
207.10339	1.1
220.92491	0.9
249.11298	39.6
250.11664	2.0
292.81314	0.7
385.18442	0.8
423.35748	0.7
429.17603	10.0
429.23401	1.2
430.18170	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02600	0.9
57.03298	1.4
58.00451	3.7
59.01249	100.0
60.01579	1.0
67.41636	1.0
69.28851	10.6
71.01251	48.9
72.99180	2.7
76.04893	1.0
81.06963	1.7
83.01281	2.0
85.02821	8.5
87.00740	2.4
89.02312	71.7
95.01252	3.4
99.04381	5.7
101.02323	30.2
111.04355	1.2
113.02335	20.1
119.03387	35.6
131.03409	4.3
136.94391	1.0
139.90535	1.0
143.03424	5.2
145.46884	1.1
149.04453	2.9
151.92271	1.0
161.04462	3.6
161.13271	25.4
162.13612	1.1
179.05518	9.3
187.11182	2.8
205.12271	64.1
206.12614	3.8
223.13585	1.1
245.79649	1.1
249.11292	65.6
250.11646	4.7
429.17523	11.4
430.18222	1.2
440.03391	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10402	0.3
69.51936	0.4
70.97455	0.8
71.11089	0.4
72.67110	0.3
72.99178	8.3
75.00739	5.4
75.42495	0.4
96.12260	0.4
133.04956	100.0
134.05286	2.3
153.16080	0.3
159.69060	0.3
208.95827	0.3
250.17805	0.4
352.38654	0.4
410.31937	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62471	1.4
55.02399	1.4
56.35548	1.6
59.01241	2.6
69.63120	2.8
69.63545	10.4
71.01263	1.7
72.99181	9.2
74.34935	1.7
75.00755	5.7
78.95779	3.5
87.00751	100.0
95.84233	1.4
101.02267	2.1
105.01853	1.8
131.04509	2.7
133.02797	1.8
133.04970	54.5
137.93916	2.0
138.22586	1.7
161.02348	3.7
166.60217	1.4
179.03415	2.1
179.69519	1.7
201.12016	1.7
223.71242	1.7
323.07849	2.4
341.11063	2.7
429.11874	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	429.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48812	0.4
54.91920	0.5
55.01733	0.5
57.03323	1.3
58.00472	4.3
58.02848	1.0
59.01250	100.0
60.01578	0.8
69.97789	0.4
71.01253	59.4
71.57899	0.6
72.01584	0.9
72.99181	4.7
73.02812	1.7
73.03923	1.6
75.00734	0.7
78.95768	0.5
81.06995	0.7
83.01254	1.7
85.02821	10.5
87.00746	3.0
89.02316	70.1
90.02663	1.2
93.03323	5.9
95.01266	3.6
97.02818	0.7
97.03985	0.7
99.04405	1.6
101.02323	31.0
102.02641	1.0
111.00755	1.3
113.02328	23.0
115.05029	2.0
116.04691	0.4
119.03392	28.4
119.04807	5.4
120.03719	0.6
130.08635	4.8
131.03412	3.3
137.02385	0.5
143.03409	4.9
143.04887	1.9
143.11806	4.0
148.23799	0.5
149.04466	2.5
151.89937	0.4
161.04437	4.7
161.13261	4.4
164.96400	0.4
169.09671	0.7
173.00719	0.6
179.05527	14.8
180.05719	0.7
187.10889	1.9
205.10521	0.7
205.12282	9.6
206.12614	0.7
223.11307	0.5
223.13272	1.7
223.96971	0.5
224.37891	0.4
247.07417	0.5
248.08372	2.3
249.09039	40.8
249.11296	9.6
250.09398	2.8
250.11661	0.9
256.20215	2.6
267.09967	1.2
267.12320	1.2
278.18427	0.4
309.11264	0.6
309.51212	0.4
313.22183	0.7
371.86154	0.5
385.18472	0.5
399.22479	6.8
411.22177	2.1
429.16583	3.8
429.23148	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	429.14
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03049	5.4
57.03327	86.8
59.01251	100.0
60.51403	3.6
68.40246	3.3
69.45259	17.3
69.45681	12.9
71.01253	51.5
73.02830	20.3
73.03938	5.4
78.95787	13.2
81.03338	5.1
82.02858	3.7
83.01276	4.8
85.02814	8.9
89.02319	38.7
97.11131	3.6
99.04394	59.6
101.02330	50.1
109.03939	4.6
113.02325	27.3
115.08649	4.3
119.03381	16.0
123.04414	19.8
125.02315	17.5
127.04998	11.6
128.03427	9.1
129.06575	6.1
129.10130	4.0
131.03404	4.0
134.03627	12.3
136.01503	4.7
137.02364	6.5
140.08200	3.9
143.03368	10.2
144.07605	4.2
145.06090	12.0
149.04494	3.9
149.06007	5.1
151.03899	3.8
152.99530	8.8
161.03212	6.0
161.04482	83.6
162.04814	3.3
179.05545	38.4
193.05034	5.4
263.07697	35.9
267.10394	4.3
323.09879	42.3
362.68674	5.4
384.68063	20.5
385.18161	11.2
429.13895	4.1
429.23196	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	429.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	22.4
58.00464	1.4
58.43412	0.9
59.01250	100.0
60.01593	1.0
60.73872	0.9
65.45476	1.0
69.40897	4.7
69.41315	3.5
71.01249	37.7
72.01569	1.4
72.99177	1.8
73.02815	22.6
83.01244	7.0
85.02824	9.2
87.00776	2.1
89.02315	25.6
95.01254	2.0
97.06456	1.2
97.68060	1.0
99.04388	11.6
101.02322	33.1
110.98405	1.2
113.02337	18.9
113.06001	1.4
119.03378	10.6
123.04403	8.8
125.02341	3.4
131.03389	2.7
141.05513	2.3
143.03401	5.4
149.04457	2.5
152.08348	1.6
153.05467	1.3
155.03485	1.2
161.04463	24.9
165.05498	1.1
167.01024	0.9
171.10167	7.1
177.27258	0.9
179.05530	18.1
183.06656	0.9
184.68410	0.8
196.38394	0.9
199.09697	1.7
202.33263	1.0
207.10158	1.6
221.06641	2.8
225.14925	3.0
233.06563	1.5
263.07697	6.4
285.09766	7.1
323.09818	14.0
324.10205	1.1
339.12170	1.4
369.19183	6.8
387.20264	11.8
388.20786	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1402
Annotation	Polygalatenoside A
Peak:m/z	Relative Intensity
57.03323	60.0
58.00457	1.8
58.03682	1.3
59.01252	100.0
61.41450	1.4
69.03332	2.0
69.37759	4.0
69.38187	7.1
71.01255	29.9
72.99173	2.0
73.02827	15.1
75.00726	1.6
78.41042	1.3
78.95760	1.2
83.01247	5.8
85.02815	12.2
87.00735	4.1
89.02323	20.6
93.03345	1.6
95.01247	2.7
97.02833	3.6
97.06463	1.7
98.20258	5.4
99.00745	3.9
99.04395	32.9
100.04713	1.4
101.02323	37.3
107.04903	1.3
111.00751	2.6
113.01740	1.2
113.02345	15.6
113.06053	1.3
119.03394	6.9
119.04933	2.1
121.02800	2.5
122.20805	1.2
123.03517	2.9
123.04407	48.4
124.04721	1.8
125.02344	16.7
126.02647	1.2
129.01849	1.5
137.09592	2.1
141.05449	1.9
143.03403	5.8
147.04373	2.7
149.04433	2.2
159.02930	2.1
161.04462	28.0
165.05443	2.1
177.03935	2.3
179.05544	11.0
203.05649	1.7
205.12306	1.9
225.14906	3.6
233.06563	1.5
248.78842	1.2
249.11218	3.0
263.07663	6.4
267.08743	20.7
285.09787	35.4
286.10089	3.0
307.73636	1.4
317.04163	1.3
323.09787	12.0
327.10834	7.1
342.16702	1.3
351.18198	1.3
369.19141	4.4
370.19327	1.5
387.20297	9.0
389.17291	1.4
429.13474	2.6
452.37500	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	429.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45167	0.3
57.03310	0.3
59.01247	7.4
63.66886	0.3
64.31844	0.3
69.80029	2.1
70.75468	0.3
71.01254	1.1
72.99174	2.2
75.00735	2.6
87.00757	0.9
87.18579	0.4
89.02320	1.1
96.95936	0.5
101.02305	0.5
105.01812	100.0
106.02155	1.4
107.04895	0.8
113.02351	0.5
132.02049	0.7
133.02847	16.6
134.03691	1.6
135.04408	20.5
136.04745	0.9
161.02344	84.1
161.09593	0.6
161.13260	0.3
162.02675	4.2
179.01819	0.6
179.03404	10.5
180.03761	0.6
187.11182	1.1
205.04976	2.8
217.11870	0.7
223.13289	3.6
240.95857	0.3
246.95531	0.3
249.04138	0.5
267.05087	56.2
267.12350	5.7
268.05426	3.8
369.15475	0.4
429.08350	1.8
429.17456	0.8
439.07211	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1246
Annotation	mannosylglucosylglyceric acid
Peak:m/z	Relative Intensity
59.01252	2.7
61.98695	1.9
70.08292	2.1
70.08702	4.4
71.01227	1.2
74.49785	1.1
82.02637	1.2
85.02829	1.5
87.00749	100.0
88.01059	1.3
89.02351	1.5
91.67915	1.1
105.01821	1.9
133.04939	6.5
137.30617	1.1
148.76549	1.1
179.05594	2.0
183.94327	1.3
317.67422	1.4
338.63278	1.5
341.10886	4.3
357.15057	1.5
429.12491	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	428.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	2.1
58.73567	1.0
59.01257	18.6
70.54430	3.8
71.01267	4.0
73.02835	2.4
78.95779	22.0
85.02830	1.5
87.00725	1.2
88.03892	1.6
89.02325	2.3
101.02325	2.6
110.96622	1.0
113.02374	2.4
127.11195	2.2
128.03387	1.2
130.08609	2.1
131.04921	1.4
133.17723	1.2
134.03668	6.7
140.01100	6.7
149.05956	1.7
152.99510	3.7
171.10179	6.8
185.11763	1.2
196.03722	9.3
213.11356	1.8
213.14957	3.3
214.04831	2.2
225.24654	1.0
229.14523	3.3
231.15981	100.0
232.16325	5.0
239.10873	1.6
267.10229	14.8
268.10898	1.4
373.49417	1.1
402.11755	1.2
410.16290	1.4
428.20596	39.7
429.20917	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	428.2077
Annotation	Guan-fu base A
Peak:m/z	Relative Intensity
51.07697	0.4
59.01245	4.7
60.01548	0.6
67.17110	0.4
67.85129	0.4
68.99689	10.6
69.28268	2.7
69.28678	1.1
71.01222	1.0
79.51938	0.3
80.96376	0.5
93.03335	53.7
94.03667	1.5
96.95881	5.8
96.99191	4.7
98.20627	0.7
99.00758	1.1
104.31812	0.4
112.01509	0.5
113.02242	0.6
118.89861	0.4
123.27646	0.5
155.53334	0.4
158.09573	0.5
168.78656	0.4
172.07487	0.5
176.14391	0.8
179.30431	0.4
190.08759	0.5
205.07376	1.1
211.49240	0.4
216.06577	1.7
216.13823	0.7
217.07379	5.2
218.08153	12.2
218.15385	0.7
222.53598	0.4
230.08131	1.8
230.15456	1.7
231.08966	4.5
244.09642	0.8
246.14915	1.6
262.14453	13.7
263.07959	1.4
263.14841	0.7
270.18674	0.9
274.14478	71.7
275.14874	7.8
278.10358	1.2
307.14273	0.6
322.16644	0.5
334.16571	10.5
335.17078	1.7
368.18649	15.2
369.19049	2.3
386.22821	0.5
428.20755	100.0
429.21039	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	428.208
Annotation	Guan-fu base A
Peak:m/z	Relative Intensity
59.01254	4.9
67.27771	0.4
68.99690	12.8
69.24342	0.5
69.50226	2.8
71.01256	1.0
85.02802	0.7
87.84456	0.4
93.03339	56.1
94.03671	1.4
96.99190	5.3
98.20573	0.7
99.00725	0.7
101.02367	0.5
110.84100	0.4
113.01083	0.5
113.02291	0.4
120.01151	1.8
120.08098	0.6
120.88176	0.4
148.07513	0.5
164.14253	0.5
172.07571	0.6
176.14383	1.2
190.08714	0.5
204.06529	0.5
205.07451	0.7
216.06612	1.3
216.13922	0.5
217.07396	5.1
218.08174	11.8
218.15402	0.8
219.08586	0.9
220.17799	0.4
230.08215	1.5
230.15440	1.8
231.08972	4.4
234.14919	0.7
237.06294	0.4
237.49799	0.4
244.09735	1.0
246.14937	1.7
262.14471	12.6
263.07986	1.5
263.14780	1.1
270.18637	0.8
274.14484	71.4
275.14899	7.7
278.10275	1.8
280.39700	0.4
322.16803	0.9
334.16623	12.2
335.16965	1.3
349.15457	0.4
368.18643	14.6
369.19049	1.5
428.20770	100.0
429.21097	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	428.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96180	1.7
58.02855	13.1
59.01236	7.8
69.49514	14.9
71.01247	3.9
72.00767	2.8
74.02352	23.2
82.02860	2.2
85.02829	2.9
86.02342	12.2
87.05505	6.9
88.03898	2.4
90.00053	2.1
97.03959	4.2
98.20503	4.3
99.05524	19.8
101.02304	3.4
101.07087	3.3
108.02058	4.7
109.03978	2.3
112.03862	2.2
116.01680	2.8
123.05550	2.6
127.05041	4.3
128.03432	69.9
131.04535	2.1
135.05530	4.0
141.06570	4.0
143.04524	80.5
145.06021	3.8
146.04477	6.4
150.05499	2.2
153.00006	3.8
153.06596	5.4
154.99623	7.8
155.08217	2.6
160.00636	14.0
161.04370	2.4
167.04510	6.6
167.08272	2.4
171.07631	4.0
175.01813	4.6
177.03329	4.9
179.04552	19.3
181.06186	2.5
185.05605	4.4
197.05536	3.1
199.07204	2.1
210.08762	14.2
235.11780	2.2
236.12195	2.7
242.07712	2.0
254.07849	25.5
272.08884	48.2
273.09177	2.5
288.06500	10.1
302.96326	2.0
304.06058	8.4
306.07645	100.0
307.07874	4.6
367.15939	3.9
368.16299	13.1
427.39020	2.3
428.11130	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	427.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45879	0.9
59.01250	100.0
67.91555	0.9
70.87804	1.0
71.57677	0.8
78.51180	1.0
89.29812	0.9
98.70413	1.0
116.02526	0.9
130.96600	0.8
186.09427	0.9
318.69748	1.0
363.32257	1.0
367.07532	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02351	1.9
59.01250	100.0
64.93824	2.1
78.95780	5.1
107.27008	1.8
152.99446	4.5
170.95959	2.4
183.82111	1.9
209.72147	2.0
229.38362	1.9
293.21399	3.7
321.32578	2.1
343.80435	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	427.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20909	3.8
53.49231	3.1
59.01253	100.0
72.30982	3.5
78.95784	5.1
95.45289	3.2
106.41659	3.3
111.87193	3.2
141.43034	3.9
152.99464	6.5
170.53477	3.4
196.50403	3.8
203.44728	3.7
243.92845	4.4
293.21188	3.5
367.13269	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	427.27
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.10344	2.1
60.71554	2.3
69.46914	21.0
69.47247	3.8
91.03929	3.1
114.71078	2.5
186.05600	2.4
293.21158	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	427.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
68.78973	1.4
70.93324	3.7
78.95798	1.8
80.09493	1.5
84.66372	1.5
87.52148	1.3
91.03891	1.6
96.95878	10.4
107.49505	1.3
120.09759	1.4
164.56372	1.5
178.31154	1.3
266.56165	1.6
275.20114	2.5
293.21298	7.6
294.21637	1.6
394.75388	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	427.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05449	0.6
59.01251	100.0
60.01595	1.4
68.02406	1.3
71.48149	0.6
71.58466	0.9
78.13953	0.6
91.81810	0.6
96.95911	1.3
99.92455	1.1
113.34638	0.7
115.07526	0.6
118.89875	1.5
128.99208	1.0
201.07806	1.8
232.52695	0.7
278.05811	0.7
293.21249	3.9
311.22549	0.8
321.00256	0.7
428.10629	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	427.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	52.0
70.19171	4.4
71.01259	34.0
72.99178	10.7
78.95790	2.7
92.92747	1.2
96.95896	6.3
98.20515	1.6
115.00269	15.8
121.02863	13.7
127.52209	1.1
127.92335	1.1
133.01320	9.9
152.99492	1.9
167.14334	2.0
195.13823	9.4
207.10049	1.1
213.14706	1.2
275.20166	1.8
291.19678	3.5
293.21240	8.3
298.18442	1.2
311.22296	100.0
312.22583	10.4
313.07114	4.6
321.24200	1.7
365.23419	2.0
392.13055	1.2
409.22375	4.9
427.10089	2.2
427.23541	2.5
431.03528	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	427.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40228	1.2
59.01252	68.9
61.98689	1.9
70.87495	3.9
71.01251	30.7
72.99185	9.4
76.15912	1.6
78.95777	2.5
96.95888	26.5
96.96851	2.2
99.92468	2.7
115.00244	17.1
118.89809	2.0
121.02833	7.5
133.01331	6.2
133.05017	1.4
134.89383	1.7
167.14333	2.0
183.13693	2.9
195.13835	7.3
196.60081	1.4
242.15172	1.5
291.19620	1.6
293.21161	10.8
311.22275	100.0
312.06064	1.7
312.22607	6.7
313.07233	2.7
323.06235	1.6
353.21240	1.7
365.23117	2.6
409.22293	6.2
427.10599	1.9
427.23288	3.2
435.68265	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	427.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02847	11.8
59.01241	4.2
61.98705	2.4
67.74921	1.0
71.01229	1.2
71.28628	2.0
74.02328	2.2
78.95781	3.4
82.06481	2.3
83.02383	3.9
84.00786	15.8
84.25007	1.1
85.11784	1.2
87.05518	17.5
88.08472	0.9
88.42851	0.9
93.20876	1.1
101.02325	1.1
110.01092	1.9
112.03922	4.2
112.07553	1.4
121.02866	1.6
125.10725	1.6
129.06580	8.8
129.10233	33.9
130.04155	1.1
131.04913	5.3
134.03647	1.0
139.08672	11.3
140.07101	1.3
141.10272	5.2
147.04489	1.2
152.07074	6.9
153.10245	3.3
155.11803	2.6
165.10251	6.4
166.08656	13.6
166.94070	1.0
167.06911	2.3
169.06084	1.8
169.09741	52.7
170.10051	2.2
181.13396	2.1
182.12924	33.3
183.11334	3.8
197.16586	2.5
200.13992	47.0
200.15860	2.4
201.12378	8.6
201.14113	2.0
221.16685	1.5
224.14003	45.3
225.12378	11.7
225.14250	2.4
226.12685	1.1
238.19281	6.7
242.15067	100.0
243.15315	4.4
259.07458	1.6
264.17105	1.9
267.10123	1.1
268.20227	3.2
282.18100	2.0
309.23059	1.3
310.21259	1.9
314.20892	5.5
351.24139	2.3
385.24564	15.5
386.24576	1.5
395.23126	4.9
409.14651	1.3
425.87476	1.2
426.79562	1.2
427.16232	15.8
427.25580	82.8
428.15854	2.6
428.20737	1.8
428.25806	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	427.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.6
57.03328	1.2
58.00483	0.5
59.01250	100.0
60.01589	1.1
61.98709	1.1
64.34026	0.5
65.40882	0.4
68.99683	0.5
69.03328	0.7
71.01255	21.5
72.99189	1.3
73.02816	12.9
75.00744	0.7
77.37223	0.4
83.01249	3.7
83.89299	0.6
83.89874	0.5
85.02822	5.9
87.00772	1.3
87.46199	0.5
89.02304	5.1
92.12534	0.4
95.01270	1.6
95.04910	1.2
97.02824	2.7
99.00774	1.5
101.02319	13.0
108.05696	1.0
109.02820	0.6
109.06499	0.7
111.04376	0.4
112.93591	2.3
113.02335	9.5
113.05985	1.7
119.03413	1.1
122.03655	1.0
123.08023	2.2
125.02319	1.0
125.06010	1.7
131.03384	0.8
133.04964	1.6
136.05191	1.6
137.05965	0.7
138.06758	12.0
139.07567	4.7
143.03413	0.9
147.08089	0.6
149.04491	0.7
149.05983	0.8
151.07553	11.5
152.04739	0.7
152.08331	25.7
153.09116	62.0
154.09430	3.3
161.04456	4.9
161.09572	1.0
163.11215	1.6
165.09079	2.6
167.07069	1.4
187.11263	0.7
190.09929	1.7
203.05603	0.6
205.12265	20.1
206.12642	1.2
223.13345	8.0
265.10986	0.8
282.59598	0.5
356.11707	0.6
367.17490	5.2
368.17871	0.8
385.18759	2.6
409.12265	0.5
427.19763	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	427.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01585	1.0
60.15051	0.3
68.57410	0.2
69.26688	2.8
71.01263	1.2
73.02859	0.3
85.02842	0.9
93.03323	0.3
98.20025	1.2
101.02304	0.4
120.08118	0.3
135.02890	0.3
203.05626	0.3
347.02328	0.9
368.29977	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68616	1.1
57.21209	0.9
59.01249	6.2
64.44765	1.0
69.68914	7.1
71.01277	1.6
74.63357	1.2
78.95784	5.6
80.69290	1.0
82.02850	4.6
83.04890	1.8
93.03343	21.8
94.02862	51.2
94.06480	1.6
95.03157	2.3
96.04418	20.3
96.04983	1.7
98.18336	1.1
98.20564	1.1
105.05717	2.2
107.12962	1.2
108.04420	2.4
110.05984	3.1
110.98401	3.5
112.31165	1.2
115.68011	1.3
120.08080	80.6
121.08436	3.7
125.72958	1.4
131.89600	1.1
134.09642	1.3
135.08156	1.0
136.03902	2.0
137.04741	1.8
138.05498	32.6
147.62332	1.2
150.05519	2.3
152.07092	11.7
164.05800	1.7
164.07085	18.4
167.01067	3.6
179.10814	3.6
209.11768	25.1
210.09186	8.6
210.12170	2.5
211.09811	2.0
212.10573	1.2
215.11850	1.8
217.13492	2.2
223.13449	3.1
224.10695	3.4
226.12320	100.0
227.12820	10.4
229.13449	7.1
240.10278	2.4
242.27879	1.2
258.11273	4.2
259.10962	2.0
261.12430	27.6
262.12634	1.7
270.11328	34.9
271.11758	2.5
271.14557	2.7
303.13470	19.8
304.13773	2.2
367.16574	16.4
395.14850	7.0
409.17419	3.2
427.17307	8.3
430.73691	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	427.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63892	1.1
57.03325	22.2
58.85627	1.1
59.01251	100.0
71.01260	11.4
71.57688	1.5
72.99181	1.7
73.02828	4.2
78.95770	4.8
83.22989	1.3
85.02813	8.5
87.00745	1.6
89.02326	8.4
96.96853	3.8
99.04387	13.7
101.02349	17.5
105.01844	2.5
113.02330	10.5
119.03403	9.6
119.27969	1.0
121.02846	25.5
123.04441	1.7
125.02350	6.4
127.18866	1.2
135.04395	2.0
147.04422	2.1
161.04445	14.4
211.13486	1.7
212.13805	1.7
217.08702	1.7
229.14371	2.1
230.14728	1.5
245.08189	5.2
247.09758	11.3
248.10211	1.7
259.09848	2.1
289.10840	4.1
305.08960	1.3
413.22009	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	427.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01583	1.1
71.01260	0.8
71.18681	0.6
83.34532	0.3
83.66849	0.4
85.02826	0.4
96.38560	0.3
99.04031	0.4
179.98889	0.4
245.11484	0.3
287.23154	0.4
347.02377	0.7
360.42365	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10856	0.9
57.03324	100.0
58.00470	1.2
58.03662	1.6
59.01250	89.9
69.03345	1.5
71.01251	33.6
72.99161	2.9
73.02821	18.7
78.95768	1.8
79.05396	2.1
81.03361	2.2
82.33914	1.0
83.01266	4.9
83.04900	1.1
84.57146	1.0
85.02814	8.9
87.00753	2.2
89.02313	17.2
93.03324	2.0
94.02868	3.5
95.01270	2.9
96.04370	1.0
96.95928	1.2
97.02881	1.0
97.06400	1.4
98.20586	1.5
99.04393	77.0
100.04711	2.2
101.02319	44.5
109.06470	1.1
110.13708	1.0
111.00761	1.1
113.02328	15.5
113.05959	2.3
115.00205	1.3
116.27782	1.2
119.03374	5.5
120.08060	5.8
121.02851	1.9
123.04436	11.3
125.01430	1.4
125.02334	25.6
131.03406	2.6
138.05511	2.6
141.05472	3.6
143.03395	4.1
148.44054	1.0
149.04451	3.2
151.78186	1.1
152.99484	1.6
153.05464	1.2
153.09135	2.4
161.04480	7.8
163.46373	1.0
179.05585	4.2
199.13286	1.8
200.63518	1.1
205.12311	3.2
226.12306	8.9
227.12654	1.9
261.12445	2.7
270.11224	3.1
303.13663	1.9
312.11536	1.0
338.84500	1.3
367.17123	2.1
427.15149	6.2
427.20770	1.4
428.15903	1.6
431.29987	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	3.0
63.48329	1.0
66.86115	1.0
69.72962	8.2
70.68148	1.1
71.01249	2.4
72.99187	8.4
75.00735	8.2
78.95780	2.4
87.04404	1.4
89.02297	2.5
99.00743	2.6
101.02287	2.1
118.43332	1.2
119.03367	1.8
129.01808	2.1
130.08629	43.8
131.03412	1.8
133.04959	100.0
134.04376	1.1
134.05247	2.9
134.21219	1.3
149.95093	1.4
175.06110	2.2
196.77722	1.3
205.07137	2.4
226.02034	1.2
390.85291	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	426.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97505	0.3
53.39031	0.2
58.67460	0.3
59.01249	0.7
60.39363	0.3
63.13526	0.3
68.02417	0.4
68.71066	0.3
69.73305	1.2
81.88208	0.3
85.45692	0.3
89.77933	0.3
97.06458	0.6
98.20425	0.6
101.75617	0.3
109.06486	0.4
119.04892	1.1
123.08030	0.4
125.09600	3.8
126.99416	0.6
127.34325	0.3
136.11212	18.8
137.11537	1.0
162.12781	0.6
164.14337	3.6
166.09834	1.8
174.12819	0.3
177.11528	1.0
178.12247	0.9
178.45409	0.3
190.12286	2.8
205.14557	0.3
208.13342	4.6
209.10507	1.4
209.13651	0.5
237.13646	0.6
244.18330	0.4
244.20692	5.3
245.20998	0.7
259.44037	0.4
260.20169	0.5
262.21710	9.9
263.22144	0.9
270.18665	3.2
284.78546	0.3
288.19675	41.1
289.19986	4.2
306.20721	51.8
307.21024	5.5
325.18365	0.5
362.15091	0.4
390.15564	0.4
408.25403	3.7
409.25784	0.5
426.26480	100.0
427.26776	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.6
70.50147	0.9
70.89201	2.2
78.95785	17.4
87.43241	0.9
96.88017	0.9
97.06460	3.2
100.66032	1.0
116.21558	0.9
122.98412	3.3
123.08035	2.0
125.09615	33.3
127.11185	2.9
140.01074	2.6
142.26828	1.0
152.99455	2.6
155.14357	1.1
158.89473	0.9
167.14297	1.4
168.04272	1.3
171.10185	0.9
196.03717	1.8
201.09515	1.8
201.11261	19.4
209.11816	1.4
211.13316	5.6
214.04823	3.4
224.06828	3.7
229.14415	100.0
230.14757	6.8
331.25293	1.1
414.43997	0.9
426.19022	24.3
427.19080	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	426.19
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11019	0.3
57.03084	0.4
57.03325	5.4
59.01244	1.3
70.87158	0.7
71.01253	0.6
71.04891	0.5
73.02809	1.1
78.95779	22.5
83.04906	0.6
84.02023	0.6
85.02837	0.7
99.04416	1.8
101.02316	1.6
109.17283	0.4
121.02847	7.0
122.00050	0.9
125.02322	1.6
125.09605	3.0
127.11183	3.7
129.61613	0.4
135.04384	0.7
140.01083	7.8
143.03333	0.4
147.04387	0.9
152.99513	2.9
153.12741	0.8
155.14278	2.0
163.03902	0.6
163.11098	0.5
165.12790	0.6
167.14351	1.4
171.10184	4.4
183.13805	1.5
185.11740	1.6
196.03757	8.8
197.11749	0.8
209.11769	3.2
211.11475	0.7
211.13367	9.8
214.04802	2.5
229.14415	100.0
230.14742	5.6
409.71884	0.4
412.17175	0.4
426.19000	44.3
427.19592	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	426.1902
Annotation	CHEBI:91220
Peak:m/z	Relative Intensity
51.61893	0.7
52.04355	0.9
52.04643	0.8
59.01235	0.8
60.78488	0.8
61.18129	0.8
70.13769	3.1
71.01235	1.1
78.95778	100.0
79.50265	0.8
96.96841	8.2
98.68739	0.7
108.80441	0.8
110.72260	0.8
111.34662	0.9
117.79118	0.8
140.01054	0.9
152.99486	18.0
171.00551	18.3
249.87173	0.8
301.63968	0.9
328.05835	3.5
352.15381	2.6
426.19000	67.4
427.19315	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	426.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79121	0.3
57.03325	1.7
59.01248	0.4
68.02495	0.3
69.03329	0.5
70.91411	0.6
71.04906	0.3
74.74876	0.3
76.93277	0.3
78.95779	9.5
82.45707	0.3
83.04897	0.6
84.02021	0.3
85.02816	0.6
97.06495	1.8
100.09699	0.2
102.12957	0.3
118.04769	0.3
121.51653	0.3
121.99939	0.4
122.98405	1.1
123.08025	1.2
125.09618	18.2
126.09936	0.9
127.11181	2.6
129.98923	0.3
140.01088	2.6
152.99477	2.1
155.14406	0.6
165.12732	0.4
165.27429	0.3
167.14342	1.8
169.08563	0.6
171.10199	3.1
183.13847	1.3
185.11726	2.5
187.09726	1.2
193.12238	0.7
196.03728	1.2
201.11270	13.0
202.11636	0.6
209.11739	2.2
211.13361	8.2
212.13680	0.4
214.04808	2.7
229.14413	100.0
230.14777	5.8
242.07884	0.6
268.69434	0.3
278.61188	0.3
367.11575	0.9
370.43488	0.3
390.51230	0.3
426.19009	21.1
427.19104	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.19
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.6
59.01235	1.0
59.25523	0.3
69.34390	3.7
71.04877	0.4
78.95777	17.5
84.02052	0.4
84.19675	0.3
85.02827	0.6
122.00034	0.5
125.09623	4.1
127.11172	4.6
140.01077	5.1
152.99477	1.2
155.14297	2.4
165.12836	0.7
166.02446	0.3
167.14311	1.8
169.12189	0.5
171.10129	0.5
183.13843	0.6
193.12250	0.4
196.03745	8.7
209.11775	2.1
211.13316	5.1
214.04797	3.3
229.14407	100.0
230.14731	5.9
245.25415	0.4
382.90802	0.4
426.18985	37.2
427.19382	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	426.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49184	0.4
57.03320	1.0
59.01251	4.7
60.76133	0.4
67.41164	0.4
70.98071	1.2
71.01232	0.9
73.02850	0.4
73.73589	0.4
73.76916	0.4
78.95773	8.6
85.02790	0.7
96.96828	1.5
101.56858	0.4
108.15201	0.4
114.01888	0.6
121.99921	0.5
125.09621	1.4
127.11176	3.1
140.01089	2.2
143.53946	0.4
152.99461	2.9
155.14340	1.4
161.35941	0.4
165.12775	0.7
167.14354	1.0
171.10176	3.3
183.13795	1.0
185.11761	1.7
195.36838	0.4
196.03729	1.4
201.11241	0.5
209.11755	3.2
211.13344	7.3
214.04822	2.8
229.14407	100.0
230.14749	6.0
281.80267	0.5
282.55154	0.4
295.69455	0.4
311.91724	0.4
367.13867	1.2
408.17996	1.0
426.18979	20.7
427.19464	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	425.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
69.80795	1.6
71.01241	1.6
71.12997	1.7
71.13363	4.0
78.95793	3.7
81.41597	1.5
88.98679	10.8
90.54852	1.4
116.94878	1.5
122.46245	1.3
128.79868	1.5
129.09073	1.5
152.99481	2.5
165.05280	1.7
168.20435	1.5
171.10310	2.4
179.14928	1.6
202.36423	1.7
291.19653	3.3
309.20688	4.1
333.20248	2.1
335.22177	5.3
343.24615	2.2
353.21231	2.4
379.20993	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	425.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86209	2.3
59.01250	6.6
61.98702	3.0
64.93177	2.2
65.89544	2.3
69.53983	6.5
69.54410	11.6
71.01260	100.0
71.04890	13.1
72.99192	36.4
73.10963	2.5
78.95782	5.5
87.00732	2.8
88.63087	2.3
90.93269	2.5
96.99197	4.8
115.00275	56.2
133.01328	12.3
133.05005	2.8
137.09604	10.9
152.19237	2.2
152.99510	4.4
171.10213	18.2
172.38072	2.3
291.19696	26.5
295.08591	3.7
309.20724	81.4
310.21014	9.2
327.21912	5.0
365.16220	2.6
407.20770	26.8
408.20892	5.6
425.22031	23.8
426.22327	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	425.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29502	0.7
55.56124	0.7
57.59858	0.6
59.01253	100.0
60.01607	1.1
63.85486	0.7
71.01262	1.9
71.57309	0.7
71.57681	1.0
72.99173	0.9
75.00759	2.5
77.22594	0.7
78.95781	2.4
82.08213	0.7
96.95897	1.8
97.40813	0.8
115.03934	1.4
133.04982	3.6
152.99474	1.9
177.93460	0.7
197.11923	0.8
213.94121	0.7
215.42390	0.8
291.19708	3.1
309.20627	3.6
353.19290	4.1
365.14236	2.1
425.18143	2.7
425.24670	1.1
426.23645	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.0
59.01254	2.3
61.10366	0.7
62.49725	0.8
70.25501	0.8
71.01258	33.4
71.57435	1.0
72.99185	14.2
75.00735	0.9
75.29181	0.8
78.66589	0.8
78.95784	2.0
84.78368	0.7
90.93235	0.9
92.92683	1.0
97.06473	1.6
113.09634	1.1
115.00266	16.6
115.07510	1.2
125.05964	1.4
133.01317	7.3
133.04947	1.2
141.09120	1.3
152.99477	1.5
165.12769	2.2
167.14400	1.2
178.27071	0.9
181.12315	1.7
193.12392	0.9
195.13776	1.0
211.13286	2.3
221.15541	1.2
229.14497	1.2
240.13600	1.2
247.20662	2.0
257.21277	1.0
273.18591	2.0
276.99887	0.9
281.21304	1.6
291.19693	25.2
292.20258	1.2
297.41458	1.0
299.07950	0.8
309.20718	100.0
310.21039	9.7
333.20676	0.8
363.21878	1.2
403.00906	0.9
407.20798	3.4
425.21973	1.3
425.29605	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	425.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.8
69.03362	1.3
69.50989	2.4
69.51398	9.7
71.01256	43.8
71.04913	1.5
72.99186	12.2
77.46880	1.3
78.95781	2.4
86.29381	1.3
91.39604	1.2
92.92686	2.2
93.86942	1.2
94.05598	1.2
105.27123	1.3
115.00269	12.5
118.30938	1.3
128.76488	1.4
133.01312	5.4
152.48511	1.1
168.80986	1.2
195.13840	3.8
207.17456	2.5
221.15503	2.8
223.16951	16.2
233.15456	9.2
251.16522	51.4
252.16846	4.6
291.19617	9.3
309.20721	100.0
310.21078	7.9
407.20816	5.5
425.22168	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	425.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	2.0
60.59388	1.0
67.23674	1.0
69.76101	6.3
71.01256	55.3
71.04901	1.4
72.99177	15.5
78.52824	0.8
78.95776	3.1
86.82376	0.9
92.02730	0.8
96.96841	1.4
97.06461	0.8
97.84127	0.8
101.48838	1.0
109.13657	0.9
115.00256	15.7
119.12539	0.9
124.83069	1.0
126.93690	0.8
133.01305	6.0
133.04965	1.3
152.99460	1.2
195.13861	5.6
202.70340	0.9
207.13860	1.7
207.17503	3.0
221.15350	1.3
223.17001	13.0
226.35204	1.0
233.15399	7.4
251.16521	49.3
252.16846	4.0
291.19635	6.3
309.20706	100.0
310.21078	8.1
407.20691	6.7
411.25266	1.1
425.21786	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	425.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.9
59.01253	2.2
65.38022	0.6
69.03329	1.3
69.79900	1.7
69.80312	1.7
71.01255	97.2
71.04893	4.1
72.01575	1.2
72.78202	0.8
72.99181	33.5
75.00747	1.6
78.95773	4.7
87.00744	1.7
95.04910	0.6
96.96842	3.3
96.99200	3.0
97.06481	2.1
97.47424	0.5
99.00771	1.0
111.08044	0.8
115.00255	31.7
115.91929	3.7
116.00569	0.7
121.06545	0.8
121.10138	2.7
123.08021	0.9
124.68581	0.6
125.09628	3.6
133.01320	8.0
134.04648	0.8
137.09604	5.6
145.41338	0.7
148.93236	0.6
171.10176	12.5
185.11761	4.6
197.11766	1.9
209.11748	1.4
211.13412	0.8
219.13837	0.8
235.16919	0.7
247.20731	1.0
251.16508	13.5
252.16980	1.0
253.07515	2.3
265.07654	0.9
267.09283	0.8
273.18750	1.4
277.07635	1.2
291.19675	26.4
292.19983	2.1
295.08633	13.3
296.08932	1.3
309.20715	100.0
310.21036	8.7
325.20245	0.8
326.89224	0.7
327.21875	3.6
328.08359	4.7
347.15524	2.2
356.11612	1.5
359.29736	0.7
365.16385	3.8
388.10513	1.4
407.20786	24.2
408.21054	2.4
425.12582	1.0
425.22452	14.0
426.22412	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	425.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12782	0.7
55.70807	0.7
57.66589	0.7
59.01258	2.1
69.03333	1.0
69.86086	4.0
71.01254	100.0
71.04886	3.7
72.01594	1.2
72.99180	29.9
87.00763	1.9
95.87815	0.8
96.99198	3.6
97.06486	1.4
99.00788	0.8
115.00254	30.1
121.10104	2.4
123.08010	0.8
125.09592	3.6
128.03468	0.7
133.01328	9.4
137.09598	4.9
171.10191	10.4
181.10704	0.8
185.11752	3.4
235.17102	1.4
251.16528	11.3
273.18549	0.8
291.19656	21.7
292.19885	0.9
309.20700	71.9
310.21054	6.3
324.04987	0.7
324.95245	0.8
407.20740	24.5
408.21078	2.6
425.16531	0.6
425.21820	15.6
426.22092	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.7
59.20735	0.8
69.71062	5.4
71.01254	100.0
71.04899	4.7
72.01600	1.0
72.99181	33.6
78.95759	0.9
83.04874	1.0
87.00760	1.0
96.99200	2.7
97.06466	2.2
98.19779	1.1
105.35331	0.8
115.00259	29.0
118.97856	0.8
121.10112	2.4
121.48312	0.9
125.09581	2.5
133.01331	9.4
137.09615	3.9
141.12708	0.8
171.10197	8.5
185.11745	3.3
197.11673	1.1
219.13835	0.8
229.24406	0.7
233.80768	0.8
251.14117	1.6
251.16487	10.8
291.19666	22.1
292.19907	2.6
309.20709	79.5
310.21078	7.9
342.81943	0.9
345.87207	0.8
358.61487	0.8
373.48032	0.9
407.20737	24.8
408.20984	3.2
425.13446	1.2
425.15271	0.9
425.21790	15.9
426.22079	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	425.1817
Annotation	Abscisic acid glucose ester
Peak:m/z	Relative Intensity
57.02349	5.2
57.03313	11.2
59.01249	42.5
61.98691	14.6
69.37247	38.7
71.01253	22.8
73.02809	9.0
82.02845	4.7
83.04893	6.4
85.02832	31.7
93.03329	42.9
94.02859	36.3
96.95892	5.7
97.02824	10.1
99.04420	8.0
101.02358	7.5
107.04888	8.3
108.05660	7.3
109.02847	6.0
111.04415	11.3
113.02287	9.3
113.05995	18.6
119.04986	5.0
119.08556	6.7
122.03616	8.6
123.08047	8.3
125.05999	12.3
136.03998	10.1
136.05206	15.8
137.02335	15.8
137.05945	6.3
137.09618	7.1
138.05507	32.3
138.06755	13.5
139.07549	36.4
148.05209	8.5
151.07562	74.1
152.04695	10.3
152.08313	32.9
153.09077	16.6
161.09677	8.0
163.07547	10.0
163.11232	6.4
167.06996	6.3
196.76128	5.0
197.11728	5.5
201.12779	31.9
203.10681	21.9
204.11514	44.8
209.08385	6.8
210.09050	5.8
219.13853	79.8
219.15848	7.2
224.10735	23.1
226.12306	17.3
237.17250	4.8
245.11833	9.6
263.12866	100.0
264.13129	7.7
287.13116	5.9
305.14389	4.8
321.16174	11.3
325.31708	6.1
365.15347	10.1
418.68774	5.3
425.17944	18.6
433.09702	4.7
434.99261	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	425.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85764	0.9
54.41368	0.9
55.79483	1.0
59.00989	1.5
59.01252	17.4
63.84712	1.0
65.03817	1.4
69.86613	6.6
71.01226	1.5
78.95793	1.4
93.03334	69.7
94.02881	3.0
94.03663	2.3
98.20427	2.0
108.04456	2.9
120.08076	3.6
122.06020	5.8
124.03952	7.3
132.08096	1.4
136.03944	3.6
137.04781	1.2
138.05498	3.4
139.62204	1.0
147.05531	3.0
150.04036	1.1
150.05495	2.9
151.11250	1.2
174.86656	1.1
175.05084	3.1
186.12599	1.2
195.34975	1.0
198.12764	1.5
201.10265	12.5
201.94801	1.1
212.10957	1.3
213.10289	7.3
214.12321	2.1
215.11949	1.1
225.10164	6.7
226.10828	2.2
227.08209	1.3
229.09793	19.8
229.13376	7.3
230.10020	1.4
239.11897	7.3
240.12607	6.2
241.09712	4.8
241.13435	32.5
242.10394	1.3
242.13725	1.8
245.12939	3.2
247.10724	1.8
251.11874	4.1
254.10602	4.7
255.11430	1.8
257.12891	7.4
269.12949	47.7
270.13242	4.3
272.11603	2.3
273.12299	2.2
279.64545	1.3
287.13998	58.0
288.14349	5.7
289.12006	5.1
301.11905	19.6
302.11945	2.0
319.12985	100.0
320.13342	9.1
402.90100	1.3
407.16293	2.3
425.17160	86.1
426.17505	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	425.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60484	0.2
59.01248	15.8
69.94125	1.2
71.01247	0.5
72.99179	12.6
73.69966	0.2
75.00742	9.0
85.02813	0.5
89.02312	0.4
92.47511	0.2
97.06462	4.9
98.20570	0.3
115.03883	1.5
133.04955	100.0
134.05292	2.6
161.04466	0.6
161.13271	0.7
203.10710	1.9
205.12260	3.2
249.11168	0.4
309.13419	0.9
321.16956	0.4
425.13715	0.6
425.18375	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29759	1.9
59.01246	3.7
61.06293	1.9
69.34988	10.4
69.35425	9.0
71.01257	3.1
72.00773	27.4
85.02824	6.6
93.03340	2.6
94.02869	2.4
99.30874	2.5
100.00278	92.3
100.03911	8.0
111.00761	10.8
144.02928	100.0
145.03278	2.9
148.06232	2.7
153.61946	2.3
173.00739	5.1
210.08801	2.2
242.11528	2.2
329.69727	2.4
397.43338	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	425.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37730	0.3
50.78671	0.3
51.41699	0.3
58.00473	0.6
59.01252	100.0
60.01592	1.0
69.32971	2.4
69.33385	0.8
71.01254	3.1
72.99186	0.3
73.02868	0.3
78.95791	0.4
82.84008	0.3
83.01257	0.4
85.02814	0.3
88.71525	0.3
89.02326	4.2
101.02322	8.4
110.33360	0.3
113.02348	1.2
119.03397	8.0
157.06511	0.4
169.06552	0.7
171.08191	0.5
181.06538	0.4
189.05661	0.3
199.07556	0.4
203.07098	1.0
211.07579	0.3
215.07150	1.0
223.07600	0.4
227.07085	0.3
229.14474	1.3
238.07358	0.3
241.08823	0.6
243.06688	1.8
245.08156	8.6
246.08522	0.9
251.07164	0.6
257.08206	2.5
269.08163	2.3
275.09406	0.6
287.09216	0.7
316.63519	0.3
390.78561	0.3
428.72910	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05062	0.7
52.10727	0.7
59.01233	2.1
59.94939	0.7
68.02409	0.7
70.97284	1.7
78.71326	0.7
78.95781	58.6
80.02558	1.0
83.04893	3.4
88.80032	0.7
92.68139	0.8
96.96839	8.0
100.82534	0.7
108.00072	0.7
114.05520	0.8
122.00001	0.8
125.09602	2.3
140.01109	4.7
150.97942	1.6
152.99498	100.0
153.99873	1.3
163.11166	2.7
165.12712	1.6
171.00537	1.3
185.11737	2.3
187.09660	1.6
188.10005	1.4
196.03729	7.1
199.13290	1.4
209.11786	43.9
210.12148	2.8
214.04794	3.3
227.12848	12.1
253.84714	0.9
380.14804	19.4
381.15201	1.9
424.17429	57.0
425.17828	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05707	0.3
51.96061	0.3
52.41942	0.3
54.10587	0.3
55.73881	0.3
60.39575	0.4
61.49617	0.3
78.95309	0.8
78.95773	15.8
87.41911	0.3
89.70541	0.3
98.19764	0.8
100.53724	0.3
122.00026	0.5
140.01096	4.5
152.99529	1.6
155.49513	0.3
196.03743	8.2
214.04781	2.3
227.20122	100.0
228.20456	8.0
290.90549	0.5
326.24097	0.3
424.24707	20.2
425.24829	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	425.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	1.3
59.01254	2.1
59.71412	1.2
71.01260	3.1
71.29523	1.6
71.29851	2.6
72.99188	8.1
73.02818	21.8
78.95766	5.4
84.02334	1.4
86.01179	1.3
93.03335	10.9
96.96819	3.3
99.00756	14.7
115.00239	1.6
115.91949	4.8
117.01828	78.6
117.03194	2.0
119.04963	6.4
121.10145	3.0
130.04184	3.2
131.04929	5.7
133.06502	3.5
133.57373	1.4
134.04623	1.5
135.04422	1.3
137.09610	1.3
141.29509	1.3
143.04948	2.7
147.04428	32.4
148.04779	1.9
160.05212	23.7
161.06000	59.9
162.03209	2.4
162.06351	3.0
171.04445	5.8
173.06000	3.8
188.04742	4.0
189.05501	97.4
190.05809	3.2
192.04204	20.0
195.08148	1.6
198.71275	1.4
201.05583	2.2
219.04466	1.7
219.08084	3.1
221.15501	2.3
223.07552	6.1
233.05966	1.8
234.06796	4.4
235.07616	18.3
236.08138	2.7
237.09169	6.4
246.06845	2.0
247.07605	19.8
248.08336	2.1
249.09282	2.0
259.07602	3.2
263.07187	4.7
264.07916	11.0
265.08627	5.0
273.09250	2.7
274.06516	1.5
275.07138	17.3
276.07904	20.4
277.08618	5.3
289.08603	2.0
291.10400	2.9
292.07486	1.9
295.09744	1.4
296.23840	1.5
307.19116	4.2
313.08603	1.4
319.09744	7.3
325.20181	25.9
363.10239	3.3
365.11877	4.4
365.16376	1.9
366.12631	4.3
367.13382	5.0
377.11923	5.0
379.13556	2.4
389.11813	3.0
392.10672	2.7
395.12869	100.0
396.13217	8.3
397.14563	8.4
406.11722	1.4
407.12863	83.8
408.13452	9.4
425.13974	81.8
425.22107	11.4
425.26563	2.2
426.14301	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	424.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34459	1.3
59.01245	6.8
64.10416	1.2
69.80401	6.4
71.01247	2.6
71.32446	1.5
78.95309	3.3
78.95781	65.7
96.95916	3.6
96.96837	2.3
111.08033	2.4
129.08081	1.3
140.01106	21.1
152.99501	25.4
165.12770	28.1
166.13138	1.7
175.02431	1.5
181.12387	1.3
183.13841	100.0
184.14162	5.5
196.03755	16.2
199.13385	2.7
203.08168	3.2
209.11760	5.0
214.04869	3.9
222.09149	2.1
227.12866	51.6
228.13208	5.2
241.56595	1.6
343.21167	2.0
406.16248	9.1
424.17429	78.5
425.17902	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	423.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69418	0.3
68.64746	0.3
70.14980	1.1
70.15375	0.5
72.62352	0.2
78.95776	13.0
104.97351	0.5
110.98418	9.0
137.00056	0.4
152.99507	0.5
153.94162	0.3
163.76337	0.2
167.01074	11.2
185.02147	2.5
245.04643	0.3
255.23271	100.0
256.23605	8.3
256.26337	0.4
322.66571	0.3
423.25195	17.5
424.25482	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	424.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	2.0
59.23436	0.6
67.01760	1.5
69.44616	5.6
71.01239	1.5
72.99179	4.2
78.95770	4.5
83.01283	3.7
85.02822	14.4
90.29165	0.6
99.00746	0.9
101.02322	1.8
111.00759	100.0
112.01100	3.0
129.01830	5.4
151.03838	0.7
152.99442	1.5
154.99756	14.0
161.02342	1.3
173.00819	40.2
173.04761	2.0
174.01143	1.0
188.07106	1.4
191.01891	2.6
191.05766	0.8
206.08273	1.1
250.07266	3.3
352.77402	0.6
424.17599	2.6
436.67538	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45146	1.4
57.03300	2.0
59.01262	12.9
60.23474	1.7
60.75283	1.4
64.88023	1.5
71.01250	12.4
72.01582	3.8
73.01671	1.5
78.95779	59.8
83.01238	1.7
85.02798	3.5
87.00722	1.9
89.02315	4.9
90.02653	1.7
91.02726	2.1
96.95885	1.8
96.96812	1.9
99.00745	1.9
101.02282	5.1
102.02667	2.2
104.03040	1.6
111.08042	1.7
113.02278	2.8
131.03404	2.5
140.01077	15.4
152.99483	15.9
165.12752	25.8
183.13834	100.0
184.14153	6.2
196.03740	15.7
197.11714	2.4
209.11760	8.4
213.14958	3.5
214.04779	6.4
227.12845	66.5
228.13129	3.7
229.44078	2.2
292.17529	2.1
317.11652	1.6
343.21048	1.9
350.59741	1.8
380.26248	2.8
424.17270	72.4
424.21558	4.8
425.17673	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	424.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.1
59.01244	3.2
69.48456	4.1
69.48889	2.9
71.01250	1.3
71.73072	0.9
78.95777	65.0
84.73589	0.9
96.95900	3.2
97.82771	0.8
103.61172	0.9
109.06422	1.0
111.08036	2.3
122.00003	2.2
140.01070	18.5
145.02805	1.1
152.99496	20.8
165.12762	25.3
166.13100	1.9
183.13831	100.0
184.14185	6.2
194.74869	0.8
196.03723	17.0
197.04228	0.9
199.13268	2.6
203.08215	1.6
209.11763	3.5
213.14847	0.8
214.04829	3.0
222.09331	1.4
227.12834	48.4
228.13126	2.9
406.16339	8.6
424.17407	70.6
425.17841	6.8
442.46002	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
65.06841	0.4
68.48547	0.4
68.94732	0.3
70.60732	1.2
78.95777	12.2
87.20634	0.4
90.37626	0.4
91.29579	0.4
104.97398	0.4
105.32061	0.4
110.98412	8.7
125.50200	0.4
133.91470	0.4
152.99464	1.3
167.01062	11.3
185.02153	2.3
190.58997	0.5
255.23279	100.0
256.23593	8.0
284.60690	0.4
330.67685	0.5
423.19479	0.7
423.25211	15.3
424.25446	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	423.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
68.55495	0.3
70.15184	1.7
78.95779	14.4
85.99645	0.3
104.97371	0.5
110.98420	9.8
121.74670	0.4
137.77693	0.4
152.99406	0.7
167.01064	10.2
185.02115	2.7
255.23277	100.0
256.23630	7.3
339.20081	0.4
415.17648	0.4
423.25183	13.3
424.25394	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	423.252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08244	0.4
59.30695	0.4
65.07456	0.4
69.40578	3.9
73.35920	0.4
74.86636	0.3
75.74642	0.4
78.95776	9.8
78.96220	0.8
84.66524	0.4
110.98419	6.5
133.95860	0.4
135.86563	0.4
167.01067	8.7
185.02095	3.0
255.23283	100.0
256.23627	8.7
423.25241	9.5
424.25363	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63598	0.2
56.28033	0.3
56.50996	0.3
62.65547	0.3
69.34860	0.3
78.95779	7.3
80.52139	0.2
110.98418	6.3
115.29903	0.3
130.27524	0.3
152.99474	0.4
167.01064	6.0
185.02145	2.6
241.21788	0.4
251.49954	0.4
255.23271	100.0
256.21106	0.6
256.23630	7.1
420.96927	0.4
422.30038	0.3
423.19495	0.5
423.25168	8.6
424.25635	1.0
444.82120	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84107	0.4
60.73126	0.4
62.96266	0.4
69.63085	1.2
69.63516	1.3
69.77752	0.4
78.95780	10.3
98.20518	0.8
102.60269	0.4
104.97328	0.5
110.98412	6.9
152.99469	1.2
167.01065	9.0
185.02144	2.6
255.23268	100.0
256.23618	8.4
295.87411	0.4
423.25171	13.2
424.25516	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	423.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99584	0.9
55.01762	6.7
57.03331	8.3
58.00456	3.5
59.01254	75.2
69.03317	2.4
69.05392	1.0
69.75207	2.6
69.75636	3.5
70.02861	1.2
71.01258	100.0
72.01594	1.4
72.99185	5.5
73.02441	1.8
73.02821	27.1
75.00732	1.0
78.95785	15.2
79.95584	1.0
81.03327	1.4
81.45397	0.9
83.01262	16.1
85.02830	39.0
85.99982	1.5
86.03132	0.9
87.00733	3.3
89.02322	49.7
95.01282	4.9
96.95921	4.8
96.96875	2.5
97.02828	4.1
98.19886	2.1
99.00773	10.9
101.02330	81.1
101.31828	1.2
102.02701	1.2
111.00787	7.8
113.02338	29.9
115.03886	1.6
117.03350	2.6
117.54433	1.1
119.03440	2.0
119.04913	1.7
121.02782	1.6
125.02362	6.2
129.01830	3.1
131.02473	1.7
131.03409	28.9
143.03381	4.2
145.02859	14.5
146.08125	2.9
149.04448	12.3
152.99489	5.5
159.02884	4.3
161.04474	29.0
191.05521	1.3
205.03453	2.1
215.05574	1.1
231.69540	1.1
233.06662	6.7
255.23195	2.1
277.12241	3.0
291.18158	90.9
292.18600	6.0
318.14761	1.1
335.17273	1.2
398.45932	1.0
423.17233	4.9
423.22327	57.7
424.17673	1.2
424.22702	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	423.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45163	0.3
58.41808	0.3
66.72615	0.3
71.07237	0.8
78.95782	8.8
96.76645	0.4
104.97376	0.5
108.85174	0.4
110.98412	5.9
150.12933	0.4
154.14426	0.4
167.01060	6.5
185.02107	2.2
200.00247	0.4
208.95174	0.4
255.23274	100.0
256.23615	7.7
277.45670	0.4
423.25177	10.5
424.25485	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.4
59.01241	0.1
60.07494	0.1
62.96264	0.5
71.01260	0.2
71.20822	0.1
71.21156	0.1
71.74987	0.1
73.02823	0.3
76.46595	0.1
76.97837	0.1
78.95775	38.7
94.98933	0.5
104.97346	1.6
109.00460	0.1
110.98412	20.6
111.98788	0.2
112.98858	0.1
117.15830	0.1
134.98431	0.2
136.99980	1.1
152.99478	0.5
163.89220	0.1
167.01060	10.8
168.01424	0.2
185.02127	3.0
237.22131	0.5
255.23264	100.0
256.20804	0.2
256.21576	0.2
256.23602	9.1
423.25177	12.1
424.25479	1.6
435.91397	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	423.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90954	0.9
55.01765	8.6
57.03325	8.0
58.00477	4.7
59.01252	88.7
69.03329	2.0
70.00390	1.6
70.00802	2.9
71.01253	100.0
72.01575	1.0
72.99176	8.0
73.02821	27.6
75.00742	1.3
78.95784	3.1
80.33678	0.8
81.03344	1.3
83.01257	21.5
84.01585	1.5
84.02048	0.8
85.02824	43.9
85.99983	2.1
87.00764	5.7
89.02317	47.5
90.02608	1.1
95.01267	4.0
96.95917	1.4
97.02834	4.4
99.00159	1.2
99.00765	12.4
101.02325	87.4
102.02647	1.0
111.00784	10.9
111.01505	1.6
113.02332	32.3
115.03925	1.6
125.02312	5.8
129.01842	2.3
131.03395	31.0
143.03421	4.9
149.04443	10.7
152.99481	2.0
159.02892	4.1
161.04468	28.0
173.21233	0.9
191.05513	1.6
215.05511	1.1
225.14848	1.4
226.15317	5.1
233.06607	5.6
273.17126	1.3
291.18140	87.2
292.18500	5.2
311.64050	0.8
316.72672	0.9
335.17090	1.0
361.14938	1.2
423.22360	57.9
424.22559	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	423.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	3.4
59.01244	5.7
71.01254	4.6
71.57697	0.6
72.99147	0.6
73.02795	1.1
78.95782	1.4
83.04901	0.9
85.02834	2.4
87.00739	0.7
89.02331	3.1
93.03310	0.9
94.02852	5.4
95.04910	0.5
96.95855	0.5
97.06473	10.2
98.06796	0.6
101.02319	3.4
111.00777	0.7
113.02339	3.6
119.03355	0.9
120.08085	9.3
123.08057	5.7
125.09610	91.6
126.09951	3.9
136.04025	0.5
138.05505	3.2
138.64488	0.4
143.10690	1.5
147.02937	0.5
152.07097	0.7
161.04462	1.6
164.07089	2.8
169.08643	2.0
173.11700	0.7
179.05490	0.6
187.09677	88.0
188.10027	4.5
191.01846	0.5
192.26230	0.5
196.65933	0.4
240.10349	1.5
253.09210	4.4
257.06940	0.8
258.07672	1.0
261.13422	1.5
284.09314	2.0
303.13593	2.9
320.87686	0.6
405.17682	1.7
420.22482	0.6
423.18777	100.0
424.19113	12.1
441.78024	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	3.5
57.03318	2.8
62.66344	3.1
65.03832	36.1
66.04143	2.8
69.27562	26.5
71.01256	98.0
71.04897	28.7
72.99178	33.8
80.46462	2.6
81.02092	2.6
82.77684	2.6
93.18710	2.9
96.99163	2.8
97.06463	44.8
115.00249	11.9
119.08571	6.6
121.06483	59.8
125.09628	32.6
135.08095	3.5
137.09647	4.4
141.12775	3.0
171.10303	3.8
185.11775	62.2
209.11781	30.0
211.13292	25.3
235.13371	72.2
236.13750	6.8
289.18069	30.7
307.19171	100.0
308.19370	7.8
361.20230	4.4
405.19156	16.0
406.19223	4.0
423.12579	4.0
423.20413	10.0
438.68347	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	423.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29888	5.7
57.03335	6.7
59.01242	36.6
71.01264	27.2
71.57664	7.0
71.58056	6.8
73.02817	8.4
75.00745	10.5
78.95767	12.6
79.95604	6.1
85.02829	39.7
87.00780	9.1
89.02331	8.5
96.95902	8.1
101.02308	15.7
128.29124	5.8
135.04466	6.8
157.15527	6.2
179.05429	5.6
245.07013	7.3
387.20361	8.6
423.17889	100.0
424.18375	13.4
445.88281	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	423.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.4
57.93293	1.4
59.01263	14.6
70.31486	1.5
71.01257	15.3
71.75768	1.6
72.99183	4.1
75.00742	11.6
78.95780	31.7
79.42612	1.4
85.02831	16.2
87.00761	4.5
89.02338	7.2
95.01271	3.5
96.96847	2.1
97.06471	3.3
98.19747	3.4
99.00756	7.7
101.02338	5.1
103.00262	2.0
109.06508	1.9
113.02345	21.0
117.01859	2.2
122.98406	2.4
123.08139	2.2
125.09624	44.7
127.11214	3.2
140.01138	1.7
149.04510	1.7
152.99492	41.0
173.11757	61.2
174.12125	3.0
175.02371	3.1
187.09694	34.9
188.10072	2.7
196.03796	1.9
209.11772	9.8
222.55147	1.6
227.12801	2.6
229.17567	2.4
249.06189	3.9
253.09251	3.0
261.13531	2.2
261.19855	1.7
267.07245	5.4
309.92041	1.6
377.89328	1.8
380.14832	6.8
405.17319	2.3
423.18784	100.0
424.17715	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.13
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29301	0.5
59.01253	22.5
62.96286	0.5
64.94532	0.5
69.57820	1.8
69.58259	1.8
71.01251	1.9
75.00734	0.6
78.95779	100.0
79.95604	1.3
80.96375	1.0
89.02306	1.5
96.95911	2.4
96.96846	9.3
101.02306	3.0
104.26475	0.4
113.02316	1.1
119.03410	2.3
126.99131	0.4
130.08603	0.5
131.04527	1.8
152.99500	2.5
173.05943	1.4
187.07626	0.5
201.05518	1.9
221.02299	0.5
225.05588	0.5
229.10020	0.5
243.06596	5.4
255.06578	1.1
255.15910	0.9
255.23283	1.5
267.06674	0.8
273.07672	0.7
319.16666	0.8
333.00616	0.5
423.17874	15.5
424.17639	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17427	0.5
52.41545	0.5
58.02874	0.6
59.01243	1.6
61.53635	0.5
70.02848	2.7
71.01249	1.1
71.04893	4.1
71.57814	0.7
74.98969	0.9
78.95774	5.7
79.95591	0.7
87.05511	1.8
96.95879	2.5
96.96844	0.9
99.04433	1.2
113.03447	3.5
116.07092	0.5
117.03352	23.3
117.04193	1.1
118.03658	0.9
119.04924	8.6
126.32575	0.5
129.05528	0.6
130.03229	2.9
131.66837	0.5
145.02861	100.0
146.03180	3.7
146.08138	19.6
147.05861	1.1
147.08452	1.3
152.99475	2.1
163.03909	2.2
173.03767	0.9
183.13805	0.5
184.91092	0.5
199.13306	2.1
200.44542	0.5
209.11783	0.8
217.11909	3.0
222.05852	1.6
228.34846	0.5
264.31161	0.5
267.10315	0.9
277.12277	18.9
278.12582	1.5
296.21136	0.5
300.41751	0.5
335.19699	1.0
343.21262	0.6
379.18811	0.7
379.26022	0.9
423.16440	3.3
424.16769	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62289	0.7
59.01247	2.9
60.26542	0.5
70.00992	1.0
70.01405	2.4
71.01250	1.6
78.95776	27.9
80.69992	0.7
83.04893	0.6
89.02303	0.8
93.03362	0.6
93.08163	0.7
96.95892	1.8
121.02827	1.1
121.99972	1.1
140.01122	6.0
152.99521	6.2
181.12263	0.8
195.13835	5.3
196.03723	14.0
197.11777	0.8
197.15352	3.7
205.58420	0.7
207.13846	14.7
214.04730	3.2
223.13474	0.7
225.14919	100.0
226.15263	5.8
291.18051	1.1
305.93304	0.8
342.12106	0.7
422.19559	34.2
423.19995	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	423.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95310	2.0
78.95779	53.4
96.96845	100.0
98.92468	1.1
110.98428	4.7
219.00015	1.0
306.69711	1.0
320.57797	1.0
405.11713	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15725	0.8
59.01248	3.0
62.96929	1.0
69.54724	0.9
71.01252	2.6
71.56715	0.7
71.57195	1.4
78.95776	1.8
81.93912	0.8
89.02303	1.7
101.02288	1.5
110.00443	0.9
113.02297	0.8
120.01142	100.0
121.01506	1.2
121.59994	0.9
128.03410	0.9
165.12634	1.0
165.27211	0.9
181.12141	0.9
207.10123	1.3
209.11754	7.3
223.05673	0.9
223.93686	0.8
225.11317	1.6
274.24966	0.8
294.80780	0.9
387.79306	1.0
402.15875	1.0
422.15549	1.7
423.18863	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	422.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96401	1.0
59.01251	8.9
66.45509	1.0
66.98902	0.9
70.25021	4.1
71.01275	1.5
78.95778	87.4
79.95633	1.0
96.95887	1.1
96.96846	7.9
97.02834	8.3
99.00762	2.4
101.02304	1.2
106.62305	0.9
109.06470	1.4
110.03616	2.6
120.01164	1.0
122.77324	1.2
125.09595	2.0
131.30630	1.0
136.05200	1.8
140.01071	8.6
142.02628	3.5
152.99490	40.8
163.11215	8.0
181.10785	0.7
181.12265	20.4
196.03754	16.8
197.11845	1.2
207.10210	50.7
208.10663	2.5
214.04782	4.4
225.11279	100.0
226.11662	6.4
243.06757	1.2
422.15872	54.2
423.16965	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	421.2595
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
57.03302	1.7
59.01255	3.7
63.56544	0.6
68.02380	0.7
69.03330	1.8
69.66741	4.8
81.03314	1.1
83.04901	7.0
85.06454	2.4
93.03308	1.3
97.06478	2.7
98.19843	0.8
100.40909	0.7
105.06918	0.7
107.08559	1.1
109.06463	2.1
111.08061	3.3
114.29796	0.7
119.04913	1.4
121.06475	0.9
123.08016	1.4
125.09618	8.9
125.10586	1.1
126.99460	2.2
128.99179	1.9
137.09599	1.3
149.09592	0.9
151.11188	0.8
152.81026	0.7
171.10179	25.1
185.11743	1.3
187.14867	1.7
189.16446	1.2
203.14359	1.2
204.65137	0.7
205.15891	3.9
209.11786	2.3
211.13342	5.7
213.12637	0.9
215.14256	1.4
219.10379	0.9
221.15468	2.8
231.13844	2.8
233.15434	30.4
234.15785	3.1
237.15013	0.9
243.17160	0.8
249.14954	13.9
251.16684	1.4
257.17581	2.1
272.71381	0.7
314.69308	0.6
331.26440	1.4
341.24893	2.8
359.25833	1.7
367.22675	2.1
375.25473	2.2
377.26910	1.9
385.23871	6.2
393.26355	2.6
403.24884	59.5
404.25113	8.2
421.25946	100.0
422.19571	5.0
422.26251	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	422.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	0.5
60.09846	0.2
66.00848	0.9
66.95836	0.3
68.02399	0.5
71.46724	0.4
73.02768	0.2
73.11840	0.3
79.95618	0.3
91.01740	0.4
107.20889	0.3
108.01936	0.6
124.07584	0.7
126.99454	100.0
127.99798	2.8
128.99155	1.4
137.08383	1.2
139.08658	0.4
152.08205	2.9
165.07860	3.2
165.09033	0.9
167.99727	0.7
185.02118	0.5
192.07666	0.3
193.08501	1.9
197.08018	1.5
236.50922	0.3
243.19737	0.3
248.13889	0.3
250.15578	69.1
251.15900	5.1
255.23311	0.7
386.24698	0.3
402.80942	0.3
421.32468	0.3
422.14813	0.4
423.25842	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06735	14.6
70.60451	53.0
72.89909	16.1
87.00755	71.9
88.98708	31.2
98.72653	14.3
121.02845	100.0
122.03167	35.6
174.33716	12.9
385.14642	43.5
403.24969	32.9
421.27924	97.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2594
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
57.03323	1.4
59.01248	3.1
65.03823	1.5
71.58040	1.1
74.35355	0.6
83.04897	1.4
84.67725	0.6
85.02843	0.7
87.00750	1.4
87.05200	0.6
88.98665	3.5
95.04893	0.7
96.95865	1.0
97.06437	3.0
109.06499	1.8
111.08055	0.8
121.02828	1.4
123.08057	2.4
125.09612	15.2
126.99447	2.9
128.99167	1.4
159.08083	0.9
163.11186	1.6
171.10162	3.7
183.13873	0.9
184.06085	0.7
185.11725	1.0
189.16397	2.8
207.13921	1.5
209.11801	4.3
211.13312	4.8
213.14931	1.5
215.14345	4.9
216.14789	0.8
233.15408	77.1
234.15807	7.2
235.16917	0.6
248.14142	1.5
249.14903	3.9
250.15559	0.9
251.16510	4.8
279.88867	0.7
331.17929	0.6
331.26474	3.6
341.24600	0.6
359.25943	0.8
367.22437	0.9
375.25296	2.2
385.23810	6.4
386.23990	1.1
386.51749	0.8
393.26553	3.3
403.24866	100.0
404.25150	13.2
421.25964	19.2
422.26358	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	421.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.5
78.95773	13.9
79.95612	0.8
80.96388	0.6
88.95014	0.3
98.52655	0.3
104.97356	0.9
110.98412	12.3
118.11819	0.3
126.99454	1.1
133.82741	0.3
152.99472	1.1
166.72237	0.3
166.99652	0.5
167.01056	9.5
183.01141	0.9
185.02122	10.7
196.10869	1.1
197.02710	1.9
197.11093	0.4
221.08368	0.5
253.21695	100.0
253.86658	0.3
254.22043	9.0
339.19968	8.6
340.20209	0.8
421.18524	1.0
421.23578	14.3
422.18787	0.5
422.23904	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	421.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84836	3.8
51.97450	3.2
56.96395	3.3
57.73444	3.3
59.01254	5.5
60.53870	3.0
64.75112	4.5
70.11246	7.8
70.11666	10.5
78.95779	8.2
87.00748	9.2
88.98685	39.2
89.02312	7.4
96.95902	3.7
98.20427	4.4
103.79752	3.7
121.02856	100.0
122.03199	41.8
151.53691	4.1
152.99474	7.4
190.98405	3.6
219.09995	5.4
230.22542	3.5
277.32965	4.4
311.22305	3.7
331.15286	4.2
331.19016	20.6
410.16415	4.8
421.22937	3.8
421.27902	78.6
422.28503	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	421.236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56059	2.8
59.01247	5.0
60.99180	13.8
61.51025	2.9
69.03349	3.8
71.04898	4.7
71.57729	5.0
72.99167	4.7
88.00365	3.6
88.98681	100.0
89.02307	15.6
90.45776	2.9
90.95509	3.2
97.02837	8.5
121.02836	6.1
133.86433	3.6
147.07980	3.2
170.53043	3.3
193.08333	3.3
215.10468	4.2
233.11551	33.9
273.14728	4.3
313.17862	12.6
331.18759	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	421.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	5.9
56.28214	1.1
57.03332	6.8
58.00473	3.4
59.01253	78.2
63.62816	1.2
69.03338	3.4
69.53855	8.8
71.01254	100.0
72.99187	5.0
73.02823	21.3
78.95789	3.8
81.03333	1.6
81.16692	1.3
83.01260	14.4
85.02827	38.4
86.72681	1.4
86.93986	1.1
87.00762	5.4
89.02322	48.4
95.01270	4.4
96.95930	1.2
97.02843	5.2
99.00759	9.7
101.02326	59.8
102.02637	1.8
111.00786	8.3
113.02334	26.3
115.03883	1.8
119.03390	1.7
125.02362	8.3
127.11163	1.9
131.03401	26.5
143.03421	4.3
149.04442	10.8
159.02908	3.5
161.04471	22.3
191.05592	2.8
215.05669	2.3
233.06593	7.0
289.16589	30.2
290.17084	2.0
315.48340	1.3
421.15451	2.4
421.20795	29.7
422.21002	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
72.67616	0.7
72.85335	0.6
78.95773	37.4
84.83201	0.7
86.72112	0.6
94.76233	0.6
100.85435	0.6
110.98414	51.6
126.04779	0.7
152.99472	3.2
167.01056	13.5
181.61621	0.8
185.02124	100.0
186.02467	1.8
253.21716	27.5
254.22049	2.4
338.17374	0.7
421.23608	11.6
422.23535	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38157	0.5
63.59043	0.4
64.29493	0.6
69.43835	2.0
69.44257	2.5
78.95773	31.6
87.11589	0.5
104.97387	0.5
110.98414	55.3
112.69215	0.5
152.99448	4.0
167.01088	3.5
175.11314	0.6
185.02127	100.0
186.02444	2.4
217.94301	0.6
253.21709	28.3
254.22075	3.8
383.29724	0.7
421.23611	3.9
428.05441	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73758	1.4
63.12753	1.5
70.39757	6.7
76.21916	1.3
78.95766	14.2
82.60130	1.4
85.44269	1.7
101.93288	1.5
105.01785	2.0
110.98421	7.8
119.49985	1.5
124.83803	1.7
127.11684	1.7
128.87657	1.6
167.01045	9.8
185.02155	2.8
188.11021	1.6
197.02725	3.2
198.68452	1.8
229.22733	1.9
253.21706	100.0
254.21988	8.1
339.20020	14.4
340.19952	1.7
347.25894	1.8
352.74884	1.6
421.08221	3.7
421.18405	2.8
421.23538	11.7
422.24127	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	421.2081
Annotation	(3R)-1-Octen-3-yl-beta-primeveroside
Peak:m/z	Relative Intensity
55.01759	5.9
56.28214	1.1
57.03332	6.8
58.00473	3.4
59.01253	78.2
63.62816	1.2
69.03338	3.4
69.53855	8.8
71.01254	100.0
72.99187	5.0
73.02823	21.3
78.95789	3.8
81.03333	1.6
81.16692	1.3
83.01260	14.4
85.02827	38.4
86.72681	1.4
86.93986	1.1
87.00762	5.4
89.02322	48.4
95.01270	4.4
96.95930	1.2
97.02843	5.2
99.00759	9.7
101.02326	59.8
102.02637	1.8
111.00786	8.3
113.02334	26.3
115.03883	1.8
119.03390	1.7
125.02362	8.3
127.11163	1.9
131.03401	26.5
143.03421	4.3
149.04442	10.8
159.02908	3.5
161.04471	22.3
191.05592	2.8
215.05669	2.3
233.06593	7.0
289.16589	30.2
290.17084	2.0
315.48340	1.3
421.15451	2.4
421.20795	29.7
422.21002	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45023	0.7
57.03326	5.8
58.02842	3.1
59.01250	1.9
65.68317	0.8
69.81258	0.9
69.92281	4.9
70.02851	14.4
71.04891	17.9
72.00801	0.9
73.04096	0.8
83.05760	0.7
84.69219	0.8
87.05513	7.4
96.31475	0.7
99.04401	10.2
101.02316	1.8
115.05019	2.0
116.07066	3.5
128.07086	1.4
129.05458	1.6
130.03232	11.0
146.08133	97.5
147.05907	4.0
147.08478	1.9
217.11890	20.4
217.13901	1.6
243.13376	0.9
277.12268	100.0
278.12515	6.3
279.53891	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54403	1.9
57.03311	2.9
58.02851	2.6
59.24521	1.7
62.54079	2.0
69.26565	21.4
70.02852	10.3
71.04890	12.3
81.62638	1.8
87.05528	4.6
95.06027	2.0
97.77419	1.9
99.04397	6.0
130.03241	3.6
146.08145	53.5
147.05859	2.3
211.82925	1.8
217.11931	11.3
231.83298	2.0
277.12280	100.0
278.12622	5.9
381.21704	2.3
424.22729	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	421.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	7.6
59.01254	5.5
70.02847	11.9
70.32301	9.4
71.04893	12.7
73.98109	2.2
75.00754	4.3
87.05508	6.7
99.04387	6.2
112.14937	2.3
127.63718	2.3
128.03392	3.0
130.03191	8.8
131.98387	2.3
146.08127	81.3
147.05907	4.1
147.08421	5.4
162.65100	2.4
189.06856	2.5
217.11931	16.7
277.12280	100.0
278.12640	5.3
306.07458	2.7
437.33456	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03436	1.6
59.01233	5.2
61.87130	1.7
69.39449	15.7
74.02328	1.6
76.39855	1.8
78.95790	9.2
86.21569	1.5
91.03892	1.8
93.04461	32.3
96.96868	2.6
118.95644	1.6
134.09650	2.6
143.04485	2.4
146.09657	3.0
152.99498	14.2
162.12801	15.3
162.98895	1.6
164.14366	29.4
171.10193	1.7
172.11211	3.1
172.38957	1.7
177.03377	3.8
188.51010	1.7
190.12296	39.7
191.12636	2.2
201.92517	1.6
208.13397	42.6
213.53941	1.9
235.21802	1.5
258.19852	4.5
284.17703	68.3
285.18042	7.2
302.18741	65.1
303.19183	7.5
328.16681	4.5
346.17593	2.2
420.14865	4.6
420.21426	100.0
421.21451	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	421.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	9.9
59.01248	8.1
64.76304	2.8
67.25792	2.3
71.01257	8.4
71.17383	4.6
72.99182	6.8
75.00732	4.5
85.02821	100.0
87.00737	3.0
89.02322	3.6
93.03345	4.1
111.00719	3.9
121.02866	7.7
123.00798	3.0
123.04375	3.4
129.01834	8.2
139.03888	4.8
139.59370	2.5
147.02898	10.0
149.02364	6.6
162.36873	2.5
167.03378	8.7
171.32518	2.6
173.00839	4.1
191.01913	40.9
193.80789	2.5
209.02983	38.5
239.56720	2.5
370.05225	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	420.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.4
59.01258	9.0
59.62458	0.6
60.55560	0.6
61.54832	0.7
69.03316	2.2
70.18363	2.9
70.18728	1.4
71.01249	2.8
71.04889	1.3
72.99184	0.6
78.09000	0.7
78.95780	30.8
85.06469	1.0
89.02306	3.2
96.95886	1.6
99.04398	1.4
101.02333	2.6
109.06470	0.8
113.02329	1.3
119.03356	1.2
121.02856	1.5
122.00039	0.8
125.09615	0.8
131.04964	0.9
135.04376	1.1
140.01071	8.5
152.99513	7.5
167.10646	3.5
179.10811	1.1
179.14337	3.7
195.13840	12.7
195.17464	0.7
196.03738	14.3
205.12286	12.1
214.04849	5.0
223.13365	100.0
224.13660	6.3
241.18095	3.7
267.10675	0.8
270.27127	0.7
279.10278	1.7
420.17969	27.2
421.18472	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	420.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.5
59.01260	2.9
69.03339	2.3
70.61285	0.5
70.97969	0.8
70.98346	1.0
71.01256	0.7
71.04887	0.8
78.95778	9.4
79.95597	0.9
83.04862	0.5
85.02835	0.5
85.63389	0.5
93.03320	0.5
95.04868	0.5
96.95903	2.1
96.96828	0.5
107.92866	0.5
113.02319	0.5
119.64362	0.4
121.02834	0.6
125.09649	0.5
140.01045	2.4
151.08101	0.4
152.99504	3.6
167.10690	2.9
177.12820	0.5
179.04485	0.4
179.10712	1.2
179.14339	4.3
180.14699	0.5
195.13847	10.2
196.03761	1.9
197.10469	0.4
205.12277	9.5
206.12508	0.6
214.04805	4.8
218.60855	0.4
223.13362	100.0
224.13713	6.4
227.06787	0.4
252.16115	0.5
259.05670	0.8
376.15347	0.6
390.14264	0.9
402.13968	0.6
420.18314	7.9
421.15579	1.6
421.24258	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	0.6
65.99696	0.3
66.00835	0.6
68.02408	5.3
68.16211	0.1
71.56793	0.1
71.57214	0.2
79.01653	0.3
80.96393	0.2
81.02091	0.2
81.03321	0.3
82.01596	0.4
83.04904	1.2
91.01777	0.3
91.17753	0.1
93.03326	0.2
95.90277	0.1
96.01896	0.4
99.07999	0.2
108.01936	0.4
108.04424	0.5
124.06662	0.3
124.07571	5.1
125.07095	0.2
125.07931	0.3
126.09143	1.1
126.99453	100.0
127.56239	0.2
127.99782	3.4
128.07108	0.2
129.05463	0.3
134.03506	0.1
135.05557	0.8
137.08365	0.5
138.09152	0.3
139.08662	0.5
146.07161	0.4
149.05910	0.2
150.06641	2.8
151.06894	0.2
152.08192	16.8
153.08524	0.6
163.06270	0.6
163.07410	1.1
164.08218	0.7
165.09021	0.8
166.09767	8.1
167.10083	0.5
177.01700	0.1
180.07523	0.2
182.98531	0.1
191.06985	1.1
192.07668	0.7
193.08499	0.6
196.07205	9.5
196.10876	0.4
197.07588	0.3
197.10312	0.4
199.96126	0.2
210.08542	0.2
217.32365	0.2
220.14514	0.6
223.20731	0.1
236.13954	0.2
248.14006	64.6
249.14342	5.5
250.15562	0.3
347.25928	0.3
420.13263	4.7
421.13553	0.6
421.26062	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02845	8.0
71.56477	1.9
74.02348	19.9
78.95780	45.3
86.02361	6.7
86.98956	2.1
87.05499	3.2
95.18024	2.0
99.05506	17.8
99.73943	2.1
100.03994	2.0
101.04165	2.9
101.07088	4.5
110.98420	42.5
121.90325	2.5
123.05590	3.1
127.05004	4.1
128.03432	38.1
129.03700	2.5
135.05553	4.6
137.07140	2.0
141.06573	4.6
143.04526	67.8
145.06104	3.7
146.04497	5.6
147.06541	3.4
152.00040	2.3
153.06638	3.6
157.07884	2.2
160.00668	13.6
167.08223	2.1
176.05534	2.4
177.03375	6.5
179.04495	15.6
185.05669	3.2
197.05591	4.3
210.08810	12.2
224.34454	1.9
254.07751	17.8
272.08865	28.6
273.03937	3.4
288.06635	7.7
306.07632	100.0
307.07870	7.9
420.14163	4.2
421.07413	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	419.221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	75.7
68.22410	30.4
70.68018	100.0
73.00301	29.6
73.78301	29.6
76.27984	27.8
78.95763	74.6
93.22539	29.9
96.95901	75.1
131.15688	30.1
148.46539	34.1
152.99547	39.9
164.89990	27.4
166.67183	31.5
419.17450	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62836	1.0
56.17166	1.1
59.01252	100.0
64.76306	1.0
69.24979	11.6
78.95784	1.5
87.00732	1.0
114.36991	0.9
146.62923	1.0
154.70164	1.0
223.29808	1.2
234.42044	0.9
246.95726	1.1
251.16533	2.2
419.17728	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15704	0.3
59.01254	0.3
66.00851	0.8
68.02411	3.2
69.41524	1.6
69.41933	0.7
70.45753	0.3
79.01626	0.6
80.04932	0.6
80.77187	0.3
83.01143	0.6
83.04910	1.4
87.00770	0.3
91.01767	0.4
108.01926	1.2
110.03484	7.1
123.00610	1.5
126.99454	100.0
127.03888	5.5
127.99805	3.0
135.00635	1.0
138.02998	1.1
148.05052	2.5
150.06644	0.8
151.97812	0.3
152.08202	12.1
162.06625	0.4
163.07410	6.9
164.08197	2.6
165.09004	2.1
166.09784	0.5
177.99495	0.3
192.07707	51.5
193.08049	3.0
196.07204	14.9
197.07518	0.8
206.12852	0.5
220.14505	13.4
221.14752	0.7
234.81804	0.3
248.14014	13.0
249.14317	1.1
292.12900	0.5
347.25912	0.3
420.13428	0.8
421.13644	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88900	9.7
59.01252	52.0
71.58392	25.8
78.95779	85.3
96.95889	21.5
103.91985	15.0
104.87314	11.3
110.98482	15.7
137.82954	10.1
145.09683	12.3
152.99487	100.0
167.01076	15.2
251.16483	48.6
265.05276	21.0
283.06357	70.6
301.02948	15.9
383.15137	36.9
419.13141	73.4
419.18335	24.2
419.28934	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	28.1
61.78281	10.5
70.33240	32.1
70.33653	21.1
78.95784	100.0
83.49392	10.1
84.57359	13.3
88.52501	9.5
93.24303	9.6
96.50793	11.9
96.95905	20.1
117.26198	11.8
121.02797	17.3
125.09667	11.7
146.58763	10.2
151.38089	10.2
152.99507	67.8
168.99684	11.1
209.11771	15.1
233.15378	22.6
237.14827	10.9
251.16444	69.0
253.08690	26.6
303.40710	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	419.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11989	28.2
70.87157	55.0
70.87504	50.0
71.04874	30.6
75.86084	30.7
78.95805	32.7
116.64562	29.8
122.19681	29.8
126.99466	100.0
129.64041	41.5
146.49965	28.8
152.79984	29.7
192.07692	49.4
267.39633	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	100.0
66.08723	21.9
68.02405	20.8
69.37286	22.0
70.45451	37.4
72.66825	22.3
105.70496	19.0
126.99374	44.1
152.63734	23.3
179.32745	22.7
260.68921	23.1
275.94873	24.7
401.23315	64.2
419.24277	63.4
438.56784	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	13.9
62.11978	9.0
69.18134	7.9
69.26904	8.5
69.27229	100.0
78.95777	15.5
83.03822	10.3
87.00758	15.2
98.20542	22.6
173.01376	9.6
175.02011	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	419.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42231	0.5
55.74157	0.4
59.01236	1.3
60.63893	0.5
68.02404	2.1
70.33855	0.4
71.57835	0.7
78.95776	12.4
95.95088	0.5
96.96850	0.8
99.23097	0.5
105.92154	0.4
110.21082	0.4
110.98401	3.5
120.31438	0.5
152.99495	13.1
159.80429	0.5
167.01065	2.1
171.00638	0.5
185.02148	3.3
210.29533	0.5
251.20143	100.0
252.20465	8.1
316.16699	1.4
419.22153	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	419.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21116	3.2
52.39232	3.0
52.42012	3.0
57.03315	3.6
57.79723	3.0
59.01261	17.1
70.87672	6.9
71.04897	13.2
78.95789	12.8
82.93534	3.4
93.03367	4.7
110.98412	4.2
112.25550	3.0
121.02839	7.5
134.03596	6.3
137.02354	34.1
139.01888	3.1
152.99472	9.0
185.02133	5.6
249.14923	3.8
251.16519	100.0
252.16824	7.9
259.34152	3.7
269.08289	3.9
270.09000	18.5
271.05969	3.2
302.07959	5.0
313.10831	29.6
314.11023	4.5
342.39551	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	419.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96531	0.2
59.01250	1.7
65.03831	0.5
70.86938	0.2
70.87256	0.4
71.01251	0.6
76.73150	0.2
85.02825	0.5
89.30613	0.2
92.40193	0.2
93.03338	55.6
93.18929	0.2
94.03680	1.6
97.17771	0.2
137.02348	100.0
138.02681	3.6
162.83980	0.2
248.68416	0.2
277.12164	0.2
285.15356	0.2
368.79633	0.2
419.26700	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.8
57.03320	1.1
58.00473	3.9
59.01252	75.7
65.91925	0.7
68.54267	0.6
69.03336	1.3
71.01255	66.9
71.57444	0.7
72.01579	1.4
72.99172	3.9
73.02818	9.6
78.95776	1.0
81.03329	0.8
83.01253	2.4
85.02823	9.1
85.99986	1.5
87.00758	8.4
89.02321	100.0
90.02655	1.4
93.03327	1.5
97.02850	1.3
98.37663	0.6
101.02326	37.0
102.02646	1.2
104.08630	0.6
113.02335	9.7
119.03380	5.1
121.02850	0.8
125.02351	1.9
131.03400	41.3
132.03751	1.5
135.04472	1.0
149.04463	53.9
150.04842	1.3
152.99480	0.9
161.04512	0.7
162.52821	0.6
191.05550	18.2
225.09174	1.0
253.08673	10.9
254.91092	0.7
271.19150	1.0
280.05927	0.6
313.40674	0.6
345.22882	1.2
371.12985	1.0
401.14023	1.7
423.13391	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72153	11.7
53.43508	11.3
56.24107	11.6
58.67201	13.2
59.01244	47.1
70.16985	13.9
78.95802	24.4
87.00764	100.0
96.95903	21.1
152.99529	22.0
201.81841	15.9
251.16588	93.5
252.16748	14.5
269.16226	14.3
399.09021	17.0
419.17703	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49224	21.0
56.08447	19.8
59.01245	44.7
70.15343	100.0
78.95781	45.7
87.00762	65.7
96.95846	27.9
104.06195	18.7
114.27978	19.7
152.99547	25.8
309.20609	24.5
334.57947	22.5
432.49142	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00764	0.6
59.01241	0.6
59.49301	0.5
61.62469	0.6
78.95776	24.2
96.96828	1.0
98.20548	1.5
110.25270	0.6
110.98431	4.7
120.54826	0.5
126.86373	0.5
141.21603	0.6
150.97890	0.8
152.99493	32.1
167.01073	1.4
171.00533	1.7
179.55843	0.6
185.02130	3.9
197.65166	0.6
228.21094	0.7
251.20135	100.0
252.20493	8.5
419.22083	5.4
420.22449	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56939	0.3
59.84476	0.3
62.96282	0.4
64.25530	0.3
72.45897	0.4
78.95777	53.4
96.96844	5.5
150.97942	1.7
151.94740	0.3
152.99492	100.0
153.99832	1.5
171.00543	3.3
229.59776	0.4
251.20158	1.3
265.21729	0.9
419.22046	4.3
420.22440	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	4.7
68.02407	6.7
69.72467	7.8
69.72876	4.9
87.00745	2.5
88.98662	12.5
96.95856	2.6
110.52961	2.2
124.98993	2.4
126.99453	100.0
149.06039	2.1
152.66370	1.9
194.93617	2.0
221.16508	15.1
329.17273	6.7
345.20764	3.1
359.11530	3.9
386.66751	2.1
398.52097	2.3
401.23141	2.7
409.35162	2.0
419.24329	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	417.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53245	8.0
59.01249	26.0
60.20233	8.5
67.19222	10.2
71.01250	27.2
71.57987	11.4
71.58466	15.6
71.58832	10.0
76.02844	8.1
77.45000	7.8
78.95756	8.5
81.80348	10.0
86.32216	10.5
87.64514	9.4
101.02315	11.4
129.95470	8.0
207.19662	8.9
255.23273	100.0
269.24872	36.8
279.23062	15.0
281.24652	21.0
297.24350	14.2
309.24359	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	417.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45549	9.6
59.01250	31.2
67.29109	10.3
69.28214	77.1
69.28629	33.7
69.41672	9.6
71.01265	23.8
75.00773	12.5
79.71897	11.1
101.42736	10.6
113.02325	12.2
139.04674	10.4
163.85533	10.2
218.03139	10.1
243.76729	10.4
255.23244	100.0
256.23743	11.3
281.29077	10.8
297.24335	23.0
309.24268	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	417.286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	30.2
68.65163	16.2
69.20052	13.9
71.06285	44.0
76.53246	14.1
95.10275	14.3
125.35814	13.6
152.99498	22.9
184.06683	15.9
239.08960	17.4
254.75876	14.7
255.23279	63.5
281.24875	100.0
309.24277	24.3
349.25653	15.3
417.21066	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.5
60.43356	1.3
61.97131	1.3
68.02415	3.3
78.95771	4.4
89.56290	1.1
100.37685	1.3
103.91906	3.9
107.88663	1.2
110.98413	3.9
122.89314	8.8
125.87211	16.9
126.88007	45.8
126.99441	2.6
139.88788	1.9
147.75523	1.2
147.97011	1.2
152.89572	3.3
152.99486	1.2
157.86221	19.2
167.01038	2.5
185.02118	3.3
185.95351	1.8
196.88602	4.5
204.97328	1.9
233.15387	2.0
251.20146	81.8
263.43054	1.3
265.00934	2.0
267.02457	2.1
269.04019	7.0
293.00854	1.2
313.03036	33.2
314.03192	2.6
346.02728	2.4
349.00677	100.0
350.00992	5.7
383.10876	6.3
417.26367	1.7
418.07773	7.0
418.26639	3.1
419.07822	1.4
419.22144	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	417.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	5.1
57.03320	4.6
58.00479	3.1
59.01251	75.2
59.47734	0.6
60.01584	0.9
65.63412	0.6
67.01766	0.8
69.03323	0.7
71.01254	100.0
71.57680	1.0
72.01595	1.2
72.99183	4.4
73.02821	23.1
75.00745	1.9
81.03319	0.8
83.01266	10.4
84.01534	0.6
85.02822	38.6
87.00753	5.9
87.04394	2.7
89.02318	51.8
93.29349	0.6
95.01265	6.2
97.02821	2.1
99.00760	8.4
101.02324	65.6
102.02671	1.4
111.00773	1.2
113.02328	41.1
114.02673	1.2
116.03375	0.7
119.03392	24.7
125.02353	1.9
128.58580	0.6
129.01767	0.8
131.03406	2.8
133.04811	0.9
143.03412	7.7
149.04427	2.3
159.02899	6.2
161.04471	36.7
179.05516	8.5
205.03444	1.2
249.83315	0.6
255.19699	2.6
308.51660	0.7
383.50223	0.7
417.24942	22.4
418.25806	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	417.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	5.9
57.03318	5.4
58.00473	2.2
59.01250	62.5
61.18280	0.4
69.03317	0.8
69.51367	1.8
69.51796	1.2
71.01253	100.0
72.01585	1.0
72.99179	4.2
73.02819	22.7
74.71592	0.4
75.00758	1.5
78.08475	0.4
80.88757	0.4
81.03316	0.5
83.01257	9.9
84.02047	0.7
85.02821	36.2
87.00747	3.6
87.04385	2.2
89.02316	36.1
90.02662	0.6
95.01265	6.7
97.02830	2.2
99.00757	10.0
101.02323	67.2
102.02634	1.1
111.00768	0.5
112.01527	0.7
113.02329	39.8
114.02682	0.7
117.53989	0.4
119.03387	15.7
121.43729	0.5
125.02332	2.5
129.01831	1.6
131.03384	1.6
143.03400	5.9
143.31056	0.4
146.23207	0.4
149.04443	1.2
159.02896	7.9
161.04465	51.2
162.04826	1.7
169.81444	0.4
179.04008	0.7
179.05498	4.5
185.15381	0.4
203.08206	0.7
204.08540	0.7
205.03433	0.8
241.13876	0.4
255.19742	2.9
407.23605	0.5
417.24942	42.0
418.25278	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	417.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47239	0.3
59.01252	100.0
59.30667	0.3
60.01590	1.2
64.96291	0.3
70.65206	0.3
71.01270	1.0
71.06863	0.5
71.07182	0.3
73.02844	0.3
79.37898	0.3
83.01270	0.4
83.04924	0.4
83.50350	0.3
89.02295	0.4
94.20952	0.3
101.02331	0.7
105.01860	0.4
111.08067	1.2
113.02376	0.5
118.75587	0.3
119.22491	0.3
121.02871	0.9
125.09638	1.1
133.04984	0.3
173.08147	1.0
187.09711	0.7
194.55864	0.3
211.13309	0.5
232.37361	0.3
256.45627	0.3
261.13489	0.4
313.35220	0.3
317.38730	0.3
351.59024	0.3
402.25632	0.3
417.12860	0.4
417.21500	1.1
417.28662	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2491
Annotation	Dendronobiloside B
Peak:m/z	Relative Intensity
55.01755	5.4
57.03325	4.7
58.00466	2.4
58.35527	0.3
59.01249	39.2
60.01578	0.5
62.20338	0.3
67.01762	0.3
68.99679	0.3
69.03332	0.8
71.01251	100.0
71.58034	0.5
72.01588	1.3
72.99180	3.8
73.02818	23.3
74.03145	0.4
75.00748	1.8
77.91665	0.3
81.03336	0.4
82.02843	0.3
82.99066	0.3
83.01256	9.6
83.04880	0.3
84.02056	0.7
85.02822	39.1
86.03139	0.6
87.00758	3.5
87.04384	2.7
89.02316	23.9
90.02656	0.4
95.01263	7.2
97.02815	2.0
99.00758	11.8
101.02322	51.3
102.02674	1.5
111.00776	1.0
113.02327	35.6
114.02676	0.9
114.25880	0.3
115.03914	0.5
119.03390	10.2
120.03738	0.3
125.02352	1.8
129.01796	2.0
131.03406	1.3
133.04997	0.3
139.00282	0.4
143.03406	4.3
149.04457	0.8
159.02904	7.3
161.04472	40.1
162.04808	1.2
171.10172	0.4
178.04755	0.3
179.05542	2.2
204.56523	0.3
205.03444	2.1
209.11765	0.5
255.19559	1.5
297.20682	0.6
343.21298	0.9
417.25104	22.8
418.25339	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	417.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.5
57.03326	1.8
58.00459	3.4
59.01252	100.0
61.96604	0.9
70.53368	1.6
70.53716	2.4
71.01255	57.6
72.01595	0.9
72.99203	4.1
73.02818	1.9
77.29813	0.8
83.01246	1.8
85.02818	10.8
85.67686	0.7
87.00745	3.1
88.45171	0.8
89.02319	79.1
90.02679	1.9
95.01276	3.8
96.95886	0.8
99.03738	0.8
99.04404	18.4
101.02331	31.8
113.02337	24.1
119.03392	35.2
126.81345	0.8
131.03391	3.6
143.03419	4.9
149.04460	2.9
161.04451	3.8
163.14857	1.9
179.05550	14.1
224.26172	0.8
237.14935	64.6
238.15196	4.1
238.65434	0.8
266.28824	1.0
275.99789	0.8
417.21030	4.8
418.21335	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56023	0.3
53.92078	0.4
53.92858	0.4
54.25299	0.4
56.46486	0.3
59.01250	100.0
60.01596	1.1
63.88955	0.5
69.87334	2.3
71.01274	1.2
72.99188	1.2
75.00743	6.0
85.02839	0.9
89.02283	0.6
93.03334	4.9
94.03689	1.2
97.06491	1.1
101.02335	0.7
105.01780	0.9
111.08069	1.2
112.22931	0.4
112.25197	0.4
113.02321	0.5
121.02854	1.2
121.41505	0.4
123.48904	0.4
125.09653	0.8
133.04953	8.9
173.08115	0.9
177.06657	1.6
187.09695	0.8
207.12141	0.6
211.13431	1.1
255.16167	0.7
266.89825	0.4
272.03571	0.4
283.69409	0.4
306.51886	0.4
310.16913	0.4
311.14059	0.5
313.16449	0.6
321.87234	0.5
359.20813	0.8
363.12442	0.6
381.13785	1.5
417.11761	1.7
417.21188	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	417.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
59.38063	0.1
60.01574	0.9
70.23856	0.3
70.24259	0.3
71.01260	0.4
73.02814	0.1
73.45152	0.1
75.00754	0.1
85.02821	0.2
91.66837	0.1
93.03370	0.1
98.20434	0.2
101.02329	0.3
103.91899	0.3
113.02348	0.2
121.02810	0.1
122.81904	0.1
122.89315	0.2
125.09660	0.2
129.45506	0.1
133.04973	0.4
137.09686	0.1
161.04451	0.2
165.12776	0.1
187.09674	0.1
211.13373	0.2
237.05894	0.1
239.07510	0.2
265.05365	0.3
281.04846	0.2
283.06454	0.8
301.02960	0.2
329.23264	0.2
381.13757	0.7
417.11292	1.2
417.20383	0.2
417.25311	0.1
418.12231	0.2
422.96286	0.1
430.13760	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	417.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01572	1.3
60.29919	0.2
69.78854	1.2
71.01266	0.4
85.02789	0.2
93.04510	0.2
97.36330	0.2
98.19833	0.2
101.02319	0.3
133.04974	0.3
210.23270	0.2
236.25082	0.2
281.96179	0.2
283.06418	0.7
301.02982	0.2
329.23157	0.3
353.56387	0.2
381.13797	0.5
417.11429	1.0
418.12149	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72343	11.7
54.76800	13.0
55.61854	11.7
58.78551	12.3
59.01250	100.0
68.02388	14.2
70.87214	22.5
71.01246	39.9
73.02797	15.6
80.96372	16.6
85.02788	15.9
94.37369	12.8
96.25110	11.5
96.95879	18.3
101.02319	17.3
126.99484	19.4
132.00552	12.2
133.04950	16.7
141.09018	13.4
152.30145	11.8
153.05862	12.8
188.84529	13.6
312.02533	13.9
353.11417	21.5
417.16101	26.2
417.21506	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78057	17.9
57.03287	21.4
59.01252	100.0
71.01252	44.3
71.57499	18.7
85.02818	23.9
89.02335	23.3
97.02303	20.8
133.04852	19.5
275.57605	20.9
340.20703	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55691	19.5
52.00848	27.7
59.01249	57.9
78.95782	100.0
84.94985	22.2
98.20571	58.4
110.99435	25.5
121.02811	29.5
152.99416	32.8
295.07397	28.8
417.14093	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78057	17.9
57.03287	21.4
59.01252	100.0
71.01252	44.3
71.57499	18.7
85.02818	23.9
89.02335	23.3
97.02303	20.8
133.04852	19.5
275.57605	20.9
340.20703	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72343	11.7
54.76800	13.0
55.61854	11.7
58.78551	12.3
59.01250	100.0
68.02388	14.2
70.87214	22.5
71.01246	39.9
73.02797	15.6
80.96372	16.6
85.02788	15.9
94.37369	12.8
96.25110	11.5
96.95879	18.3
101.02319	17.3
126.99484	19.4
132.00552	12.2
133.04950	16.7
141.09018	13.4
152.30145	11.8
153.05862	12.8
188.84529	13.6
312.02533	13.9
353.11417	21.5
417.16101	26.2
417.21506	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89916	2.2
59.01253	100.0
64.16473	2.0
71.01256	25.0
71.57474	2.3
73.02841	10.7
75.00745	3.8
78.95777	5.4
83.01249	2.7
85.02824	12.4
89.02296	2.2
90.28335	2.1
94.03457	2.2
96.96828	3.6
101.02326	13.5
102.05530	5.4
103.75935	2.3
111.93247	2.2
113.02344	8.6
128.03416	16.4
143.03416	2.6
143.04491	2.7
146.04500	4.0
152.99477	5.4
159.02885	3.3
161.04482	36.2
165.09116	6.4
179.34285	2.3
192.00768	2.0
211.13423	2.6
215.43283	2.2
299.20053	2.7
357.15582	13.4
368.49942	2.5
387.52762	2.3
418.16519	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	417.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22108	0.8
50.31131	1.0
53.44985	0.9
55.01735	1.0
59.01252	100.0
60.01585	1.4
67.84597	1.1
69.28041	2.8
69.28458	8.6
71.01252	32.2
72.42432	1.0
72.99174	2.3
73.02824	4.5
75.00742	1.4
83.01266	3.0
85.02829	9.2
89.02317	31.1
95.01259	2.8
98.20643	2.2
99.00774	1.4
101.02325	22.0
113.02326	14.1
119.03387	13.2
131.03407	1.5
143.03409	3.3
149.24530	1.1
151.07550	2.8
152.51224	1.1
159.02876	1.7
161.04472	27.1
168.89371	1.0
177.09123	4.6
177.10518	1.1
179.05551	5.6
189.08748	2.2
195.10213	2.8
205.03452	1.3
255.06572	1.7
311.50397	1.2
357.15558	22.3
358.15802	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1765
Annotation	Ascleposide B
Peak:m/z	Relative Intensity
55.01748	1.2
58.00471	1.9
59.01252	100.0
61.84367	1.0
70.29203	4.0
71.01254	46.8
72.99181	3.2
73.02819	37.9
75.00748	3.2
76.03922	1.1
78.95790	1.7
81.03338	1.3
83.01254	13.6
85.02828	11.4
87.00757	1.8
89.02318	15.8
89.29512	1.1
95.01279	1.7
96.95890	4.4
97.02815	1.7
98.19875	1.4
99.00783	3.8
101.02322	47.2
111.00771	2.2
111.08025	1.2
113.02333	13.1
119.03374	6.8
119.04865	1.1
125.02348	2.5
127.05014	2.0
129.01831	1.9
131.03389	2.6
133.04948	3.1
135.02870	1.2
140.49738	1.0
143.03419	3.7
149.04491	1.8
151.11263	1.3
152.99554	1.0
155.03444	1.5
160.03966	1.9
161.04486	11.2
171.10211	3.6
173.00865	1.2
174.91528	1.2
177.09152	2.7
179.05487	1.3
193.04955	1.8
193.76921	1.2
195.10243	1.5
203.05644	1.1
204.03015	1.4
204.23114	1.2
211.90158	2.5
226.63728	1.1
227.03210	1.3
331.17703	4.8
341.11331	2.0
375.16669	2.8
399.16895	7.9
417.17688	46.1
418.18158	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08200	0.5
54.39922	0.4
59.01256	2.0
69.33782	4.4
71.01254	0.9
78.95786	0.8
82.86542	0.5
83.04861	0.6
93.03350	4.4
101.02332	0.5
108.02045	0.7
119.04926	0.8
121.02872	2.6
123.04428	0.8
124.98501	0.4
130.04147	1.3
131.04939	1.1
132.05710	1.0
133.06544	0.7
134.03647	2.6
143.04932	7.0
145.06503	47.1
146.06845	1.9
147.04430	3.5
152.99561	0.9
160.05153	0.5
161.05966	0.9
163.07547	1.3
171.10211	1.1
183.48784	0.5
202.44638	0.5
207.08122	0.8
208.05289	0.6
209.05992	0.8
210.06920	0.8
211.07639	0.8
211.13290	0.8
222.09341	0.6
223.07619	22.3
224.08372	14.0
225.09128	6.5
232.05492	0.5
239.12914	0.6
249.09375	0.5
250.10027	1.9
251.10701	1.0
252.07880	0.7
256.07355	6.3
257.07898	0.6
261.09161	1.4
262.09995	1.2
263.10773	10.0
264.11237	0.9
280.11212	0.6
307.20306	0.5
325.20221	0.9
343.21143	3.4
357.10748	1.2
357.14990	15.3
358.15155	1.7
369.11041	0.8
369.15036	1.3
387.16064	100.0
388.16473	11.8
399.12436	1.7
417.12704	0.7
417.17188	1.6
419.88492	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82455	1.2
53.13270	1.0
57.03321	1.7
59.01249	9.3
66.50764	1.2
69.03330	13.6
69.33708	11.9
71.01279	1.2
78.95783	13.2
93.03365	1.2
95.04895	1.9
96.68325	1.0
97.06465	1.3
97.52023	1.2
103.91935	1.4
110.98404	8.6
113.89046	1.0
121.02850	17.8
125.42370	1.2
136.01500	1.7
143.96292	1.3
161.13286	1.1
167.01070	4.2
167.10651	2.5
167.65471	1.1
174.21492	1.1
175.11261	1.9
185.02135	8.6
193.12366	2.3
205.12244	4.3
205.15935	4.4
221.15401	7.4
231.13867	15.6
241.05025	6.9
249.14943	100.0
250.15176	5.6
251.19438	1.2
265.08777	1.5
269.08173	1.6
290.64899	1.2
381.13641	3.3
417.12955	7.2
417.16971	10.9
417.25287	2.0
418.13235	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	417.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57008	0.2
55.11904	0.3
59.01248	0.7
70.02053	0.3
70.08868	1.2
71.01248	0.6
72.99185	11.0
75.00749	8.1
89.02316	0.8
93.03339	0.4
99.00811	0.2
101.02314	0.6
101.10935	0.2
121.02863	1.8
132.21002	0.2
133.04965	100.0
134.05309	2.4
149.04454	0.7
227.72714	0.3
259.83655	0.3
417.14215	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	417.1346
Annotation	Kraussianone 1
Peak:m/z	Relative Intensity
51.44704	0.4
69.03326	2.6
70.06348	1.8
70.06699	0.6
71.10090	0.3
74.85958	0.5
75.04585	0.4
82.80522	0.4
85.22729	0.3
86.74498	0.4
93.03338	2.9
96.56057	0.4
98.26215	0.4
103.74667	0.4
119.04924	1.6
121.02851	37.7
122.03166	1.4
141.15352	0.4
143.04930	0.8
145.06451	0.8
147.04427	1.8
156.05467	0.5
195.04434	1.6
197.05898	0.5
208.05278	0.9
211.04033	0.8
213.05557	0.8
221.06052	1.1
222.06631	0.5
222.69908	0.4
223.03943	1.2
223.07590	0.4
225.05585	2.6
226.06303	5.0
227.06894	0.5
233.06059	1.1
235.07346	0.8
235.28813	0.4
239.07089	3.0
240.07562	0.4
241.05081	6.0
245.06029	1.0
247.07597	0.5
251.07158	1.0
258.05319	4.4
259.05612	0.5
263.07132	1.6
267.06616	0.6
269.08194	0.9
280.07315	0.7
281.08005	0.6
293.08176	0.7
295.09833	1.1
311.10840	0.9
319.42230	0.5
328.11066	2.4
329.11615	0.6
331.57553	0.4
337.08746	0.4
339.10193	2.2
340.10666	0.6
351.10138	0.4
355.09518	0.5
356.10532	5.4
357.11337	14.3
358.11575	1.6
364.28979	0.5
369.11411	1.3
387.12344	2.4
399.12329	0.6
417.13443	100.0
418.08157	0.7
418.13794	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	417.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48408	0.6
53.56766	0.6
56.58646	0.6
57.15956	0.6
59.01256	1.0
61.22951	0.7
69.23563	5.5
69.23975	1.5
71.01237	0.8
72.81602	0.7
78.95791	0.9
84.53587	0.6
93.03339	4.9
94.38924	0.6
108.02068	0.7
119.04914	1.1
121.02842	4.5
130.04156	1.1
131.04930	1.2
132.38876	0.6
134.03658	3.6
135.04443	1.0
143.04910	8.3
145.06499	42.1
146.06850	2.4
147.04430	3.0
163.07605	1.3
171.10052	0.6
203.68010	0.6
207.08240	0.7
208.05249	1.1
210.06854	0.7
211.07643	1.8
213.05525	0.8
221.05971	1.3
222.09430	1.2
223.07620	21.2
224.08385	10.7
225.09113	4.9
233.06084	1.5
237.09357	0.7
239.12846	1.2
249.05585	0.9
250.09961	1.7
251.10985	0.8
252.07964	0.8
256.07367	5.5
261.09232	1.0
263.10754	8.5
264.11133	0.7
298.06546	0.7
320.62134	0.9
323.10794	1.0
325.20334	0.9
339.10251	1.5
343.21347	2.4
351.10382	3.4
357.11252	2.7
357.14987	14.7
358.15555	1.6
363.10428	2.7
369.11234	9.1
369.15027	1.1
370.11578	0.9
381.11411	2.3
387.12332	9.6
387.16187	100.0
388.16583	11.7
393.24713	0.6
394.84344	0.7
399.12292	16.3
400.12991	2.3
417.12790	1.4
417.17212	2.5
422.59839	0.7
429.19421	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33745	0.6
53.90189	0.5
59.01258	3.2
69.32430	5.4
71.01252	3.8
73.02827	0.8
74.23045	0.5
75.00755	0.8
78.95791	1.8
80.92029	0.5
83.04910	0.6
85.02844	1.7
85.61655	0.5
89.02338	2.1
93.03345	2.7
96.95912	0.7
99.00761	0.6
101.02331	1.6
103.62716	0.5
113.02378	1.5
117.03312	1.0
119.03432	0.9
121.02847	17.6
122.03165	0.8
131.04950	1.5
147.04463	0.9
152.99619	0.6
159.31085	0.5
161.02361	2.0
161.04478	1.2
171.10197	0.8
207.08122	1.3
209.11617	0.6
219.08095	1.2
221.06020	2.3
232.05261	0.9
233.06049	8.0
234.06647	1.0
235.07697	1.2
237.05536	0.6
237.15025	0.7
239.07137	3.7
247.07649	0.8
249.05531	1.0
250.06306	3.0
251.07117	3.0
253.08716	0.7
263.07239	1.0
265.05148	0.7
265.08936	0.7
267.06653	0.6
269.08197	2.0
275.07065	0.6
289.05429	0.6
295.06516	0.5
309.08899	1.3
311.09348	0.9
321.09573	0.7
323.10736	1.1
325.08600	1.4
325.20221	1.0
333.09021	0.8
335.10687	1.0
339.10327	1.2
341.11661	1.1
343.21237	8.1
349.08542	0.8
350.09528	1.4
351.10233	15.0
352.10614	2.3
353.11877	2.6
357.11145	2.9
361.08578	1.0
362.09302	1.7
363.10287	9.8
364.10654	2.0
369.11288	11.8
370.11594	2.0
380.10553	1.1
381.11334	19.0
382.11658	3.0
387.12360	31.1
388.12686	4.4
399.12363	100.0
400.12720	13.7
417.13419	18.0
417.21027	1.3
418.13745	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03691	0.5
59.01242	2.2
67.01765	2.2
69.55323	3.5
71.01236	1.0
72.61001	0.5
72.99174	3.9
73.02819	0.6
83.01260	2.4
85.02819	15.3
86.03169	0.7
87.00763	0.6
99.00743	1.0
101.02321	2.2
102.98390	0.6
109.02876	0.6
111.00763	100.0
112.01077	2.8
114.57693	0.5
121.02807	0.9
123.04418	1.3
129.01839	4.1
133.04918	0.7
137.02336	2.0
138.03058	1.0
148.01587	0.9
149.02342	0.8
153.05458	0.7
154.87036	0.6
154.99770	16.1
166.02669	0.7
173.00829	47.4
174.01134	1.5
181.05011	1.0
191.01884	6.6
227.45496	0.5
276.91364	0.5
304.27655	0.5
332.37039	0.6
367.06699	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	417.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	7.9
71.01263	3.9
71.56603	2.2
71.56995	1.9
72.99191	6.9
73.02803	2.1
83.01285	2.3
85.02818	20.9
93.03371	1.7
96.95920	1.8
99.00753	3.2
101.02327	6.0
102.05481	2.0
108.02046	2.3
109.02856	2.5
111.00760	100.0
112.01093	2.4
116.07127	1.7
117.01855	2.2
121.02850	4.1
123.04411	5.5
127.05051	7.2
128.03380	7.5
129.01840	3.6
133.04977	3.9
137.02385	4.3
138.03082	1.9
145.06114	6.3
148.01506	1.7
149.02322	2.4
153.05411	1.7
154.99777	13.3
164.03461	5.1
166.02605	2.3
166.61871	1.3
167.03458	2.1
171.10204	6.0
172.99411	2.7
173.00839	43.7
178.04977	1.7
181.05005	2.6
191.01921	16.7
195.93346	1.5
236.08145	3.0
277.08374	3.4
295.09485	10.3
306.63495	1.5
341.11398	2.0
417.13193	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	415.2489
Annotation	Macrolactin M
Peak:m/z	Relative Intensity
52.24996	0.7
52.82301	0.7
53.21838	0.7
55.71104	0.9
59.01245	2.7
71.04893	2.0
87.91285	0.8
88.28362	0.9
95.04906	4.6
98.20552	3.3
107.04899	1.3
108.27162	0.8
121.02843	6.1
123.04412	100.0
124.04742	2.8
130.51385	0.8
147.11734	1.1
149.09601	1.2
168.72083	0.9
171.27628	0.9
194.76074	0.9
233.15343	3.6
269.95483	0.9
273.18573	3.9
291.19656	6.0
292.20374	3.5
295.20795	4.3
321.18478	1.6
327.19785	4.3
332.63583	0.8
335.23901	1.5
339.19608	17.4
340.19922	1.7
357.20425	4.1
367.22757	5.3
374.17856	0.9
379.22717	9.5
380.22778	1.4
385.23770	4.9
397.23792	7.0
415.24808	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2489
Annotation	Macrolactin M
Peak:m/z	Relative Intensity
55.02096	1.6
59.01259	10.7
61.98703	14.9
64.31683	1.4
68.02368	1.6
70.15440	6.3
71.01237	2.4
71.04887	4.3
74.39515	1.6
107.04903	5.8
120.05686	2.0
121.02829	2.0
133.06494	2.4
141.01566	1.5
142.57043	1.5
145.10147	3.0
146.07271	3.3
147.08052	4.6
147.11740	11.6
149.09624	6.6
159.08092	2.9
170.12813	1.5
173.09689	1.8
175.11201	1.5
179.06857	2.0
187.11243	1.7
189.12828	2.3
227.14523	1.7
229.07480	2.4
251.16542	2.8
295.20697	18.8
321.18585	5.3
325.17960	3.2
333.15823	5.3
335.23721	4.2
339.19650	100.0
340.20044	13.3
341.21075	3.1
379.22787	31.0
380.22919	4.0
385.23315	1.9
397.23871	33.5
398.24292	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94145	21.8
59.01249	100.0
70.42249	71.4
71.93463	27.0
74.44725	23.7
76.09949	22.7
113.04430	25.1
115.25678	23.9
116.36279	26.5
124.83424	23.6
165.61345	22.7
328.97995	23.5
353.56894	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	415.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	100.0
67.21314	12.5
70.15363	43.5
71.00388	10.9
72.18425	9.8
98.20436	16.0
98.85311	10.7
152.99527	12.8
170.50104	10.8
178.98221	12.6
265.39529	12.5
279.23267	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	3.6
57.03316	4.1
57.58780	0.8
58.00461	4.4
59.01250	100.0
60.01570	1.3
69.03323	0.9
69.71115	5.3
71.01252	81.1
72.01601	1.7
72.99187	5.5
73.02820	8.3
74.02305	0.9
83.01246	6.3
85.02817	22.2
86.03143	1.0
87.00738	3.4
89.02316	75.3
90.02652	0.9
93.03358	0.9
95.01268	4.7
97.57840	0.8
99.00741	4.6
101.02322	51.4
113.02326	29.3
119.03389	34.8
125.02311	1.2
131.03377	3.5
143.03439	5.2
149.04427	2.6
151.57071	1.1
159.02904	2.1
159.93822	0.7
161.04448	9.7
165.12747	1.0
179.05511	8.0
203.08189	2.8
373.18732	1.3
406.71173	1.0
415.14835	1.4
415.23587	20.3
416.23636	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2336
Annotation	Dendroside C
Peak:m/z	Relative Intensity
55.01756	6.5
57.03329	6.2
58.00451	2.1
59.01250	55.0
65.00580	0.6
66.67144	0.7
69.03327	1.5
69.40224	6.2
70.77387	0.6
71.01254	100.0
72.01597	1.8
72.99207	2.9
73.02818	24.5
75.00759	1.6
75.17371	0.6
83.01253	11.0
84.02040	0.9
85.02822	43.6
86.03129	1.0
87.00754	5.2
87.04372	0.8
89.02316	26.8
90.02680	0.7
93.03346	0.8
95.01267	7.6
97.02828	2.2
99.00752	12.2
101.02322	58.9
101.05968	1.4
102.02673	1.1
111.00801	1.4
113.02328	40.3
114.02693	1.3
119.03400	11.6
125.02384	1.8
129.01851	1.9
131.03407	1.3
133.02800	0.8
143.03395	5.1
159.02922	8.8
161.04463	39.7
162.04802	1.2
179.05528	2.3
183.13812	1.0
189.77568	0.7
205.03471	1.4
211.13390	3.8
253.18013	7.5
257.04895	0.6
355.17593	1.1
373.18652	3.1
415.23532	34.8
416.24023	3.9
416.28531	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	1.3
71.57530	0.8
74.98972	6.6
77.00539	78.1
87.92434	0.7
97.69534	0.7
137.91243	0.7
147.08038	2.6
149.09549	1.3
152.99471	0.8
163.11214	2.7
176.25870	0.7
187.11227	2.1
265.12631	1.1
279.13647	0.8
279.23193	0.9
280.14539	0.8
309.22391	1.9
337.21732	100.0
338.22101	12.8
415.23044	10.9
415.28027	1.3
416.23654	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	415.234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98156	0.3
57.03322	0.5
58.00475	0.4
59.01250	100.0
60.01599	1.0
69.99766	1.6
71.01254	8.7
72.99189	1.1
73.02821	2.7
75.00741	0.8
83.01268	1.1
85.02829	3.8
87.00754	3.7
87.20569	0.4
89.02316	5.4
89.20165	0.4
93.03313	0.5
95.01274	0.6
96.24113	0.4
97.06492	0.6
99.00737	0.7
101.02325	5.7
101.02988	0.4
105.01816	11.4
113.02317	4.3
116.12784	0.3
119.03391	2.6
125.09666	0.4
127.11110	0.4
131.03400	0.4
141.01569	0.8
143.03334	0.5
161.04425	2.8
171.10175	1.2
179.05486	0.8
181.03593	0.4
183.13820	0.4
201.54146	0.4
203.08261	0.4
210.09193	0.7
211.13341	2.2
211.17068	0.4
214.87813	0.4
221.11760	0.4
222.91464	0.4
225.11539	0.9
229.14380	1.5
233.74438	0.4
248.10629	0.6
263.16537	0.8
279.19629	0.5
292.09564	4.1
293.21295	0.6
294.21631	1.5
327.22266	1.7
328.20215	4.6
355.21274	1.0
373.22269	10.8
374.22815	0.8
415.23386	17.7
416.23706	1.9
433.99310	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.6
55.23002	0.7
57.03315	1.7
58.00467	5.0
58.07704	0.7
59.01250	100.0
59.95286	0.7
59.98382	1.5
60.01583	1.0
71.01253	59.4
72.99176	4.3
73.02822	2.5
73.46592	0.7
74.02334	0.9
75.00733	1.2
83.01234	2.7
85.02819	14.0
87.00751	3.4
89.02318	76.3
90.02660	1.6
93.06993	1.0
95.01252	4.0
99.04395	12.1
101.02325	34.6
102.02665	0.8
113.02327	24.8
119.03384	33.8
126.60400	0.8
130.08606	1.3
131.03383	3.1
143.03413	5.7
145.02818	1.4
149.04439	3.2
161.04512	4.5
161.13284	1.3
173.13254	3.5
179.05525	9.5
185.11833	0.8
191.14291	1.2
203.08170	2.3
219.06667	0.9
235.13359	45.7
236.13620	3.1
268.30151	0.7
358.94342	0.8
371.11154	1.4
415.19705	2.7
415.24271	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	1.5
57.03317	1.0
58.00454	2.2
59.01249	61.5
60.01606	0.8
62.64834	0.5
67.05412	0.6
69.03318	6.6
69.47147	4.3
71.01252	33.1
72.99165	3.1
73.02816	2.4
75.00743	0.6
75.73868	0.5
79.95639	0.5
83.01254	3.0
85.02336	0.8
85.02818	10.3
87.00748	2.9
89.02315	27.2
95.01256	2.0
95.04878	0.7
96.95904	0.9
99.00759	0.7
101.02322	19.6
113.02319	10.8
115.03893	9.9
119.03391	11.2
123.07986	0.7
125.02335	0.6
131.03384	1.0
143.03398	1.2
147.11655	0.7
161.04408	1.5
167.07104	0.9
173.13283	8.5
179.05508	1.6
191.14388	0.8
211.13316	1.5
217.12383	1.3
235.13370	7.7
236.13672	1.0
237.14914	0.6
253.14447	1.7
397.18707	4.5
398.18851	0.7
415.19711	100.0
416.19974	10.5
435.31711	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1974
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
54.45986	0.8
54.70364	0.8
55.01743	1.0
58.00457	2.7
59.01252	100.0
60.01588	1.9
66.96443	0.7
69.03323	2.4
70.17595	0.8
71.01256	67.0
71.57349	1.5
71.58020	0.9
72.01588	1.1
72.99190	4.9
73.02822	75.2
74.03150	1.4
74.50443	0.9
75.00734	1.5
78.95786	1.4
81.03333	1.3
83.01260	26.5
83.04910	1.0
85.02834	7.3
85.52496	0.9
87.00736	3.3
89.02316	18.0
91.03996	0.8
93.03346	3.9
95.01290	2.1
97.02830	1.7
99.00772	2.5
99.04394	1.3
101.02322	68.4
111.04350	1.1
113.02334	16.1
115.00221	1.0
115.05401	1.2
117.03283	1.0
119.03419	6.2
119.04900	2.9
121.02859	6.0
125.02307	2.4
125.98737	0.9
130.04118	0.9
131.03377	3.1
131.04901	2.8
134.03632	9.5
135.04398	1.4
143.03459	4.3
143.04868	2.2
149.04437	3.4
149.05931	1.3
152.99492	1.7
155.03400	1.7
161.04471	8.7
171.10139	1.5
173.06091	0.9
193.12260	10.1
203.05562	1.1
203.08255	1.7
209.11705	1.6
211.13301	1.2
218.48164	1.1
231.08113	1.0
233.09546	2.0
236.08499	1.6
237.09258	1.0
239.07117	2.9
247.07707	1.0
248.08386	1.9
249.09189	3.5
250.09584	2.7
251.09738	2.8
267.06583	1.3
269.11789	3.2
279.10431	1.3
295.06088	2.2
323.18466	1.0
341.19620	2.4
350.12485	0.8
355.13193	2.9
355.17633	3.0
361.12283	1.1
367.13354	10.5
373.18741	8.6
379.13455	3.6
385.14465	12.0
386.14984	1.8
397.14441	8.0
415.15527	17.2
415.19666	14.5
416.15671	1.7
416.20468	1.6
434.38272	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	5.7
67.18032	1.1
68.53922	0.9
69.03314	1.3
69.47806	0.8
70.72187	1.6
70.72522	1.0
71.01255	1.0
73.34730	0.8
78.95770	1.4
93.03344	19.2
100.49886	0.9
108.02000	1.6
111.80600	1.2
117.03357	1.1
119.04923	3.2
121.02847	100.0
122.03159	3.3
130.04131	1.1
131.04912	1.6
132.02136	1.1
134.03612	6.8
143.04964	4.6
143.07036	2.4
145.02864	2.4
145.06506	3.6
147.04488	2.3
157.06583	1.0
159.04446	1.2
160.05200	6.7
169.06390	1.0
173.06013	1.4
209.05984	1.5
210.06767	3.2
211.07605	4.3
221.05978	2.6
223.07585	5.3
225.05707	1.0
236.08490	3.1
237.09254	5.2
238.06322	1.3
239.07103	57.8
239.12863	3.1
240.07495	3.4
249.09198	4.5
250.09933	1.6
251.10742	2.4
257.13916	1.8
259.07611	1.3
260.08347	1.3
261.09229	6.2
263.10815	1.7
263.16547	1.4
273.09106	1.6
278.09442	2.7
279.10309	12.5
279.19739	1.6
291.10187	2.2
331.17584	1.1
349.12347	1.5
353.11929	1.8
354.12433	4.7
355.13394	20.8
356.13666	1.8
357.06128	12.5
358.06622	1.6
366.12662	1.6
367.13397	44.4
368.13638	5.4
369.15045	1.5
379.13434	1.8
385.14462	74.1
386.14816	8.8
397.14612	3.9
415.15530	54.0
415.23776	3.6
416.16003	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	415.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	5.7
57.03329	5.2
58.00445	2.7
59.01250	41.6
69.03326	2.0
69.97423	3.0
71.01253	79.6
72.01587	1.1
72.99162	3.3
73.02819	32.2
75.00731	2.0
81.03325	1.1
83.01254	24.9
83.04896	0.8
85.02824	44.9
85.99942	1.3
86.03146	1.7
87.00741	4.1
89.02319	9.1
93.03328	2.1
95.01282	4.9
96.95884	1.0
97.02829	5.0
99.00758	12.2
101.02322	70.1
102.02667	1.7
103.03884	4.2
107.04951	1.0
111.00746	4.7
113.02325	28.6
114.02646	0.9
115.03850	1.0
119.03371	3.2
123.18392	0.7
125.02344	7.4
127.03854	0.8
129.01813	2.4
131.03369	0.9
137.02324	3.1
138.02878	0.7
143.03421	6.7
145.04950	1.7
149.06036	0.7
154.99663	0.9
159.02919	6.5
161.04460	56.8
162.04739	1.4
163.05980	2.8
166.70189	0.7
173.00746	2.1
179.32347	0.8
191.01909	0.8
205.03539	4.0
229.07132	2.0
247.08261	4.2
269.10294	100.0
270.10709	6.3
281.19791	1.3
299.20993	1.1
313.09311	1.1
325.14481	2.1
415.10580	1.6
415.16107	30.3
415.21564	1.7
416.16321	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	415.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.8
60.19613	0.1
61.22558	0.2
71.01254	1.2
72.00777	6.5
74.02341	9.4
85.02831	0.5
89.02334	0.6
98.20575	0.4
101.02328	0.6
107.04917	0.3
109.36213	0.2
113.02325	0.5
116.04944	28.7
117.05284	1.2
119.03403	0.3
129.05684	0.3
130.06519	0.7
132.08072	0.4
142.06531	7.7
143.06885	0.3
157.07591	0.4
159.09183	7.6
160.09518	0.4
161.04651	0.2
186.05511	1.3
187.05896	0.2
197.11662	0.2
203.08191	100.0
204.08514	6.0
222.09167	0.5
229.51654	0.2
247.65970	0.2
265.13251	0.4
309.12305	0.9
415.16434	2.6
416.16739	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.3
63.78087	0.1
71.01257	0.6
71.47592	0.1
71.57898	0.2
72.00777	5.3
73.02812	0.2
74.02341	7.7
83.01255	0.1
85.02825	0.3
87.00748	0.1
89.02325	0.5
93.03323	0.3
99.00777	0.2
101.02345	0.3
113.02314	0.3
116.04945	22.6
117.05289	1.1
121.02812	0.1
128.04956	0.1
130.06519	0.6
132.08025	0.2
142.06522	6.3
143.06879	0.4
144.04448	0.1
145.02847	0.3
157.07626	0.5
157.69948	0.1
159.09180	6.2
160.09503	0.2
161.04633	0.3
186.05508	1.3
203.08192	100.0
204.08530	5.9
211.13271	0.1
213.88814	0.1
219.06581	0.1
222.09236	0.4
224.10434	0.1
246.40488	0.1
265.13480	0.3
309.12433	1.2
310.12936	0.2
367.03452	0.1
371.11377	0.2
415.16571	2.7
415.22632	0.2
416.16681	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31068	1.2
57.03318	1.8
59.01255	47.0
59.41684	1.2
69.65620	7.2
69.66029	2.7
93.03341	25.2
98.93246	1.3
107.04885	2.7
115.05390	1.6
117.03374	3.9
119.04914	8.0
121.02839	5.0
126.24350	1.3
128.85316	1.4
130.04141	13.9
131.04898	5.6
133.06512	9.4
134.03638	4.5
140.02496	1.5
143.04944	10.4
145.06494	16.2
149.05925	2.9
151.11150	3.2
161.05980	11.6
173.06015	12.8
191.07129	7.3
206.07216	1.3
209.06128	1.4
211.07588	12.7
212.07826	1.5
219.08154	1.8
219.17503	3.1
221.06039	4.3
222.06749	2.6
223.07616	38.8
224.07971	3.5
231.08258	1.4
233.09448	1.4
235.07593	5.1
236.08327	2.5
237.09196	6.3
239.07085	4.8
245.09741	2.1
247.07637	4.8
248.08069	2.2
249.09123	5.2
251.10670	5.3
260.08304	2.0
261.09161	3.0
263.10712	4.1
263.16498	42.4
264.16934	2.3
273.09094	3.0
275.69809	1.4
279.10129	2.0
279.19650	17.5
291.10110	2.7
309.11444	1.9
321.11890	1.5
337.12433	1.9
341.19632	5.1
349.12256	4.0
355.13364	63.1
356.13727	8.6
365.11777	2.5
367.13379	100.0
368.13742	12.3
369.14923	5.0
379.13400	53.5
380.13760	7.9
385.14502	17.5
386.14731	2.3
397.14447	28.9
397.22180	2.7
398.14615	4.6
415.15485	16.3
415.23392	42.7
416.15790	3.1
416.23669	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	415.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55144	1.3
56.86975	1.2
57.03320	2.7
58.00461	3.0
59.01250	45.3
60.01580	1.5
70.02847	1.2
71.01251	31.6
71.57642	2.3
72.99184	3.7
73.02823	4.7
73.61678	1.2
82.02841	5.8
83.01260	3.6
84.04423	7.8
85.02832	12.2
89.01810	2.3
89.02317	24.9
91.79404	1.1
95.01241	3.1
96.95889	1.2
98.02329	2.9
99.00755	2.5
100.00246	1.8
101.02319	19.9
108.01362	2.3
108.02055	32.9
109.02845	17.7
111.00767	2.1
111.03110	1.6
112.03876	1.7
113.02335	13.8
116.03413	3.6
119.03384	10.9
120.03587	1.6
120.04439	28.1
121.02829	2.8
123.00761	4.1
123.04417	25.6
124.01527	5.7
125.02311	1.3
128.03426	13.9
134.02390	2.5
135.04434	3.1
143.03426	1.2
148.03960	2.0
151.02679	1.7
161.04395	6.2
162.05513	5.7
164.03444	100.0
165.03848	4.0
166.04988	2.7
167.03407	2.4
177.04271	1.9
178.05008	54.5
179.05397	4.6
185.09637	1.4
192.06570	5.0
203.08176	3.9
205.09734	5.7
215.05835	1.5
217.09688	4.5
218.04468	2.3
219.11313	3.5
220.06073	3.6
221.12895	2.8
230.08168	1.6
235.11070	2.4
235.13422	5.2
245.09247	3.6
247.10852	58.7
248.09186	3.2
248.11284	3.3
265.11920	47.7
265.14792	2.0
266.12292	2.5
291.09885	5.0
298.07214	1.9
355.12830	4.2
356.13779	10.6
371.16071	16.6
397.14026	26.4
398.14413	2.4
415.15076	83.8
416.15540	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	415.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41029	0.3
52.70449	0.3
58.00458	1.3
59.01255	3.5
65.03821	0.5
69.50231	3.1
71.01250	1.1
71.04906	0.5
73.02821	0.5
78.95768	0.8
85.02849	0.5
89.02311	0.5
89.03845	1.0
90.46189	0.4
91.03879	0.6
91.05437	0.4
93.03318	3.0
95.04906	0.5
101.02335	0.8
107.04893	0.7
110.80913	0.4
115.05434	4.4
117.03346	1.3
119.04919	9.1
120.05197	0.4
121.02824	1.0
130.04115	1.9
131.04912	1.1
133.06482	0.5
134.03627	4.8
135.04417	13.8
136.04767	0.8
143.04948	7.6
145.06445	0.3
147.04425	1.1
155.04958	0.4
157.06493	0.7
160.05191	0.4
161.76842	0.4
163.03923	1.3
165.05487	6.9
171.10178	1.1
193.06450	0.6
195.08054	0.9
202.07806	0.5
203.08444	1.0
205.06586	2.5
206.07179	0.5
207.08069	1.4
209.06029	0.4
210.06813	1.6
211.07600	1.7
211.43390	0.4
219.08138	1.0
221.09709	1.6
223.07637	3.3
225.09245	0.5
230.07350	1.2
231.08115	24.7
232.08540	2.0
233.05965	1.0
235.07614	2.3
236.08229	0.8
237.09148	3.5
239.07184	1.0
239.12875	0.4
239.16487	0.9
241.08690	0.6
246.72516	0.4
247.07608	1.0
248.08237	0.5
249.09204	18.9
250.09598	1.7
263.07187	2.0
267.10260	100.0
268.10574	9.3
279.19565	0.5
288.16855	0.4
297.20770	2.8
321.56494	0.4
323.10794	0.7
323.18668	0.5
331.11230	0.7
332.38535	0.4
333.12772	0.9
337.12341	1.7
341.19681	2.2
347.10519	0.6
349.12299	11.9
349.16327	0.7
350.12851	2.0
351.13873	1.3
355.13419	5.3
356.13568	0.6
359.10764	1.3
360.11588	1.7
361.12326	14.2
362.12848	2.7
367.13367	19.4
368.13791	2.9
377.11700	0.9
378.12555	1.2
379.13397	21.3
380.13773	3.6
385.14499	18.1
386.14685	2.4
397.14450	54.5
398.14783	8.5
415.15500	52.0
416.15918	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	415.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29485	0.7
58.02841	3.6
58.68866	0.6
59.01254	5.0
59.43816	0.6
67.01749	0.6
71.01254	3.1
71.11431	0.6
71.57554	0.6
72.99184	0.6
74.02338	1.2
81.03345	1.1
82.02846	1.4
83.01250	1.0
83.04901	1.5
84.04418	6.7
85.02834	2.8
86.02338	0.8
89.02331	1.6
95.01286	0.8
99.05511	1.6
101.02290	1.1
101.07082	5.1
106.04107	1.6
108.02050	24.4
109.02839	42.5
109.03915	5.7
110.03186	1.6
112.93588	0.9
113.02316	1.5
116.81173	0.7
119.04919	7.9
121.02882	0.9
123.00743	1.3
123.04408	16.3
124.01581	0.8
127.05023	64.8
128.03427	11.1
128.05388	1.6
133.01598	1.0
134.02383	3.7
136.03946	2.2
136.07558	0.7
148.03954	2.5
150.05457	0.8
151.02603	0.8
153.02931	1.5
164.03442	12.7
166.04997	1.2
174.05745	0.6
175.06168	0.6
176.03510	0.7
176.07098	1.4
177.04201	0.8
178.05026	8.3
178.08585	1.5
190.08739	1.2
192.06616	2.4
204.10231	2.4
219.11237	1.7
220.06117	1.5
221.12877	3.1
236.07965	1.3
237.08765	22.5
238.09142	1.6
247.10847	47.2
248.09087	5.0
248.11287	2.2
249.08910	2.6
265.11920	53.1
266.12311	4.5
273.08691	1.3
275.42587	0.7
277.08325	2.3
291.09906	6.7
325.11975	0.9
353.15002	6.5
371.16080	8.9
372.16391	1.3
397.14001	14.7
398.14505	1.6
415.15073	100.0
416.15408	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	415.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	2.2
56.62494	1.0
56.89560	1.2
57.03325	3.0
58.00466	4.4
59.01252	100.0
64.02314	1.1
69.03329	2.8
71.01254	73.8
71.57898	1.8
72.01570	1.3
72.99172	7.3
73.02824	8.1
76.81716	1.1
81.03324	1.9
83.01274	6.6
85.02830	17.8
87.00755	14.9
89.02319	78.6
93.03323	1.1
95.01251	4.5
97.02844	6.5
99.00752	3.0
101.02325	65.3
113.02332	28.9
119.03399	28.3
123.04396	5.8
125.02329	15.6
131.03389	4.8
143.03400	11.0
149.04475	3.3
152.99521	1.2
161.04463	13.7
179.05528	27.0
185.04504	2.7
221.06570	6.8
235.08167	11.8
253.09238	19.0
263.07693	4.1
275.55414	1.3
305.08865	2.2
321.90363	1.2
369.19125	1.4
415.14587	90.6
416.14957	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	415.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53159	1.3
58.00455	2.0
59.00949	2.3
59.01249	46.9
61.29992	1.4
71.01249	27.6
71.04879	7.1
71.56583	2.8
72.99180	2.5
83.01278	1.6
85.02819	5.4
89.02319	30.9
92.73715	1.6
93.03341	23.1
95.01267	1.9
101.02322	17.8
108.60142	1.5
111.00740	3.1
113.02315	15.3
115.03905	1.7
119.03380	15.9
121.02815	8.3
131.03366	1.4
133.05011	1.4
137.02339	38.0
138.02664	1.8
143.03416	4.0
146.47704	1.7
149.04457	1.7
161.04495	1.4
163.07565	5.4
164.14722	1.5
179.03404	3.4
179.05592	2.8
191.07063	50.8
198.66191	1.5
277.09344	3.6
295.10327	100.0
296.10751	7.7
337.32950	1.6
415.12317	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47976	2.6
51.64946	2.1
59.01250	100.0
71.03438	2.6
71.46563	5.0
76.81387	2.4
83.58779	2.3
89.36397	2.2
137.24248	2.7
164.71541	2.1
247.48866	3.4
251.97113	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06419	1.1
53.77652	1.2
59.01259	31.7
70.52972	3.5
70.53321	2.1
76.30974	1.3
93.03356	4.6
102.59180	1.2
105.01802	2.5
109.06483	3.1
115.05470	2.1
119.04942	2.3
121.02850	31.5
130.04137	4.2
131.04944	11.5
133.06502	2.0
134.03612	1.9
134.05402	1.2
135.04446	2.0
143.04918	5.3
143.07079	2.2
145.06502	3.1
147.04424	15.5
149.05994	4.7
161.02345	2.4
161.05939	2.4
195.04510	1.6
209.06017	1.7
210.06815	1.3
211.07541	2.2
219.08124	2.2
221.05989	2.7
223.07568	4.5
233.05902	1.6
235.07649	9.8
236.08412	8.6
237.05597	2.1
237.09122	3.0
239.07059	1.9
239.12849	4.1
246.07028	1.6
247.07648	4.6
248.08386	2.5
249.05505	7.1
250.06393	1.8
251.07086	2.8
252.07828	3.0
263.07114	6.1
263.16513	25.8
264.07999	4.8
265.08698	3.2
275.07150	11.5
276.07629	2.1
279.19702	10.0
311.10696	2.0
323.10867	1.7
331.17664	2.1
337.08676	2.4
338.09219	1.7
339.10291	12.4
341.19693	4.4
349.08685	2.4
350.09280	3.3
351.10144	5.2
354.08643	1.6
355.09613	2.7
355.13428	5.3
357.11356	9.8
361.12228	1.8
367.09464	17.0
367.13385	9.4
368.09723	2.4
369.11288	3.4
378.08636	2.1
379.09680	20.5
379.13620	4.0
380.10126	2.2
385.10764	100.0
385.14725	21.0
386.10889	10.8
386.14246	1.8
386.15289	2.8
397.10522	93.6
397.14667	14.1
398.10812	10.3
415.10764	1.7
415.15506	20.6
415.23380	25.0
416.15854	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	413.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	100.0
61.98714	35.8
67.09564	14.6
71.01280	19.7
71.57757	28.8
75.00748	40.7
77.00212	17.9
85.02850	44.5
89.02313	23.8
99.92493	26.7
100.90316	19.9
107.75117	17.2
126.99468	22.9
133.06451	21.0
138.54825	17.1
155.98523	15.1
195.13628	20.0
263.92426	16.7
293.21262	16.4
295.22897	74.6
313.09644	20.0
427.44516	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
67.10604	4.0
71.57426	7.7
95.05911	5.1
280.47879	4.7
280.51358	4.5
306.41779	5.0
339.44687	4.6
421.92322	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	413.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	3.1
61.98724	2.1
64.83523	0.9
71.58263	0.8
73.02823	100.0
74.03156	1.8
78.95763	1.0
80.28999	1.0
80.31908	0.7
89.50527	0.8
93.03355	2.3
98.08327	0.7
121.02868	2.3
124.26215	0.8
166.02573	1.2
236.08308	0.8
242.21164	0.9
251.07132	1.1
261.09155	0.9
279.10269	6.5
281.17706	1.5
307.09781	6.2
339.10074	1.5
348.78104	0.8
355.09723	7.2
356.10132	0.9
367.09717	2.9
383.09180	6.9
383.13242	1.0
384.09677	0.9
385.14374	1.1
395.09326	2.0
401.80563	0.9
412.13425	1.1
413.09900	14.9
413.15192	1.1
414.10632	2.4
424.26678	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85024	0.5
54.82168	0.5
57.03333	0.9
58.02848	6.8
59.01245	3.1
66.03360	0.5
69.96900	2.9
71.01250	1.2
74.02346	46.7
78.95770	1.8
82.06493	1.9
85.03954	0.6
87.05515	36.4
97.03967	0.8
99.04389	1.2
101.07117	0.9
111.05530	2.1
112.02669	2.8
112.03939	2.1
121.03957	0.5
122.09666	0.6
126.09121	3.9
129.06595	43.7
129.10234	4.7
130.05002	0.5
130.07014	0.9
130.08623	5.6
134.44646	0.5
139.08662	1.0
140.07056	3.2
140.10722	0.9
143.11807	25.9
144.12166	1.4
152.99489	0.8
153.10237	3.2
155.11819	1.8
157.13382	1.5
166.08658	3.0
167.11827	0.7
169.09746	4.6
181.17111	0.9
182.12912	1.9
182.15532	0.7
183.11275	3.1
187.10840	7.8
195.15036	1.1
197.12813	0.6
197.16498	1.2
200.14003	3.0
208.13477	2.6
214.15581	3.0
221.16594	0.9
224.13982	2.3
225.16061	2.7
242.15178	1.4
252.20802	1.7
256.20294	16.2
257.20700	0.9
270.21732	0.7
294.21732	1.5
300.19031	0.8
327.24020	11.6
328.24371	0.8
338.20703	0.7
369.25186	3.8
371.22913	1.4
413.24042	100.0
414.19327	0.9
414.24438	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	413.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47532	0.6
56.77119	0.7
59.01240	2.8
63.17471	0.7
66.76352	0.7
66.81144	0.7
68.48811	0.6
69.88842	2.8
76.17947	0.6
76.95039	0.7
77.75266	0.6
78.34647	0.6
78.95776	6.2
96.95896	17.4
96.96867	1.8
99.25452	0.7
101.71941	0.6
103.57924	0.7
152.99498	23.8
208.68730	0.8
233.83435	0.7
234.71771	0.8
240.69012	0.8
264.13730	0.7
277.21719	100.0
278.22064	6.6
322.21161	0.8
413.21048	6.5
414.21436	0.9
430.24512	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77363	0.3
55.01764	0.6
55.31408	0.4
57.03329	1.4
59.01253	100.0
60.01595	0.9
69.58258	3.1
71.01260	7.9
72.99215	0.6
73.02821	2.6
78.95798	1.4
83.01265	1.2
85.02836	4.1
89.02343	1.7
95.01270	1.0
99.00786	1.3
101.02326	5.2
106.46442	0.4
113.02332	3.1
122.09258	0.4
138.11063	0.4
143.03450	0.6
147.90193	0.4
152.99495	0.6
159.02966	0.4
161.04483	2.3
209.15500	1.6
210.86482	0.4
295.19379	0.5
353.19806	1.3
368.22559	0.4
371.20728	7.2
413.14099	1.2
413.22073	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.4
57.03330	1.2
59.01251	100.0
60.01590	0.8
67.79459	0.2
69.03358	0.3
69.23426	3.1
71.01251	8.2
72.99197	0.3
73.02819	2.6
73.21579	0.2
83.01270	1.2
85.02821	4.8
87.00761	0.4
89.02316	1.6
95.01279	0.7
98.20557	0.5
99.00774	1.0
101.02321	5.5
113.02324	2.9
159.02959	0.6
161.04462	3.2
161.94734	0.3
202.00362	0.3
209.15353	1.8
227.77214	0.3
277.12454	0.3
312.72900	0.3
346.56747	0.3
353.19699	2.3
360.25571	0.3
371.20724	9.9
372.21255	0.9
413.22028	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
64.62091	1.0
70.90850	3.1
89.89643	0.8
96.95872	2.5
115.07416	1.0
126.99457	32.1
152.99496	5.4
159.57260	0.9
277.21713	18.3
322.59528	1.0
413.21368	1.4
413.28946	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	413.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
63.76248	0.7
69.36390	5.4
82.74388	0.6
87.00739	0.6
103.01115	0.7
126.99457	28.7
127.99830	0.8
413.26480	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.21
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29141	1.1
59.01244	3.7
60.62808	1.1
65.50114	1.1
69.60399	8.7
78.95791	4.9
88.10352	1.2
152.99500	23.4
208.12614	1.2
277.21729	100.0
278.22070	8.4
287.06375	1.1
302.93796	1.2
349.78873	1.2
413.20822	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	413.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25222	4.9
57.03086	6.7
57.03329	93.6
59.01256	82.3
71.01256	9.6
71.57381	9.8
71.57742	5.2
74.02316	5.6
78.95785	13.5
85.02853	6.9
85.14694	5.2
99.04406	100.0
101.02320	24.4
102.14571	5.5
125.02360	29.5
139.52380	5.2
152.99503	18.5
155.74365	5.6
189.92493	5.2
223.43500	6.1
224.12915	7.8
269.10416	7.8
413.14597	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	100.0
59.01254	73.3
71.01253	15.2
73.02818	6.6
74.19641	2.4
79.20727	2.6
83.01258	4.9
85.02826	10.2
99.04396	66.7
101.02329	24.4
113.02352	7.6
118.89486	2.6
125.02342	20.0
158.58551	2.7
161.04457	8.1
255.91832	2.4
269.10229	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61430	0.4
57.03330	1.1
58.00460	2.1
59.01253	45.8
66.28244	0.6
69.29169	4.2
71.01259	14.1
71.04860	0.4
71.40441	0.4
72.99180	2.9
73.02814	6.1
74.02376	0.5
78.95770	2.3
81.03352	0.6
83.01239	0.7
83.04905	1.1
85.02821	10.7
87.00743	0.6
89.02320	9.9
91.81822	0.5
93.03339	11.7
96.96859	0.5
99.00797	0.5
99.04378	0.9
101.02316	8.9
102.32348	0.4
103.03213	0.5
103.03896	8.7
106.54564	0.4
108.02056	0.6
109.02868	1.1
115.05437	5.2
119.03431	4.8
119.04915	13.4
123.04400	1.0
124.84957	0.4
125.09629	0.5
126.65595	0.5
127.03908	2.0
130.04199	0.5
130.71040	0.5
143.04906	4.1
145.04956	1.8
147.04417	0.6
152.99586	1.0
154.53671	0.6
163.06024	2.7
166.13199	0.4
180.34050	0.5
183.13792	0.5
184.05316	0.5
189.12837	0.6
199.13179	0.7
207.08113	1.1
214.15237	1.8
215.15559	1.3
216.15747	1.1
223.07695	1.1
233.06065	0.6
233.11751	0.7
234.06944	0.6
245.59619	0.5
247.07571	1.5
248.08423	4.2
249.09186	100.0
250.09540	7.3
251.10703	1.2
267.10254	1.8
277.12213	0.8
309.11368	1.6
395.20712	0.6
413.15506	2.9
413.21411	1.7
414.21442	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06781	0.3
57.03326	0.4
59.01253	2.5
59.34795	0.4
67.54992	0.4
69.51214	2.7
71.01252	0.6
72.99178	0.6
80.96445	0.3
85.02792	0.7
87.00748	0.5
87.63801	0.3
89.02334	0.4
91.26539	0.3
93.03340	1.2
101.02318	0.7
102.27910	0.3
105.01818	21.7
117.03358	0.8
119.04918	37.7
120.05257	1.7
123.33822	0.3
129.02217	0.4
132.02078	1.2
133.02852	25.1
134.03223	0.7
135.04424	3.6
145.02866	4.6
156.84366	0.3
161.02354	100.0
162.02695	4.3
163.03918	72.0
164.04251	3.8
179.03424	1.6
189.55487	0.5
202.82082	0.3
205.05006	6.6
206.05331	0.5
209.11728	0.4
219.03000	0.5
249.04024	0.6
251.05594	22.0
252.05898	1.4
267.05093	4.1
413.08984	1.0
413.21973	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	2.2
60.73026	0.7
61.98695	2.0
71.57845	1.0
78.61840	0.8
93.03333	13.3
107.04923	0.9
117.03350	1.0
119.04903	6.1
121.02841	1.3
130.04153	1.0
131.04950	3.9
133.02885	1.0
133.06483	3.1
138.06871	0.8
143.04929	3.2
147.04428	19.5
149.06015	1.9
151.19641	0.8
159.04433	0.7
159.22783	0.7
160.05202	15.2
161.05997	65.1
162.06323	2.6
171.04449	7.3
173.06006	3.2
187.03958	0.9
188.04530	0.7
189.05505	78.3
190.05783	3.7
192.04216	11.6
193.04587	1.1
195.08099	1.3
201.05513	3.2
207.07947	0.8
208.05092	0.9
209.05974	1.3
210.06757	1.5
211.07587	6.1
214.86554	0.9
219.08156	1.8
221.05980	2.0
222.06822	2.6
223.07596	26.6
224.07965	1.4
233.06061	1.8
234.06694	1.5
235.07628	6.0
236.08347	1.7
237.09120	1.2
245.05975	1.4
246.06929	0.9
247.07588	4.1
249.09140	0.9
251.16551	1.2
259.07697	1.6
260.08240	1.4
261.09164	6.5
263.07138	9.6
264.07901	4.0
265.08630	0.8
271.07559	0.8
272.08447	0.8
273.09244	1.3
274.06622	0.9
274.09869	0.8
275.07153	6.6
276.07925	2.8
277.08685	2.0
279.10086	0.9
287.07019	1.4
288.07892	1.1
289.08728	5.3
290.09369	1.7
301.08676	4.6
302.09464	2.0
307.09695	1.1
315.05835	0.9
326.18536	1.8
333.09180	0.7
337.12137	1.0
339.09903	0.9
349.12158	0.8
351.10226	1.6
353.11813	4.4
354.12692	4.5
355.13333	10.6
356.13562	1.0
365.11859	2.2
366.12390	1.1
367.09534	1.2
367.13412	3.5
377.12167	1.2
383.12875	87.8
384.13245	10.2
385.14777	1.5
394.11887	0.9
395.12949	100.0
396.13293	13.8
413.14154	43.8
413.22299	2.2
414.14630	6.0
436.72678	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.9
59.41326	0.4
69.40835	4.4
71.01255	0.6
78.95776	12.9
89.02313	0.6
93.53573	0.4
102.26642	0.4
120.40840	0.4
121.02834	0.4
122.00040	0.5
140.01091	4.6
152.99463	1.9
169.15904	4.1
171.10126	0.5
196.03702	7.9
197.15402	1.5
211.13228	1.0
212.13640	2.1
213.14946	1.1
214.04811	1.5
215.16475	100.0
216.16815	5.9
267.10309	0.8
347.39429	0.4
389.64111	0.4
412.21066	26.1
413.21429	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	412.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02855	8.8
70.58670	0.7
71.12653	1.9
72.00771	2.1
74.02345	19.2
82.02846	1.8
84.04413	0.9
85.46124	0.9
86.02349	7.1
86.05994	1.4
86.98965	1.7
87.05518	5.4
90.00053	1.7
97.03971	1.9
99.05518	16.8
101.07063	2.3
102.05476	2.2
109.03955	2.8
109.07572	1.6
111.00729	3.1
111.05562	1.6
112.03925	2.5
116.01663	1.5
118.04995	0.9
123.05527	2.3
124.51959	0.7
125.03452	1.7
127.05019	3.6
128.03432	42.9
131.04633	1.0
135.04555	0.9
135.05515	4.5
141.06602	5.6
143.04527	62.2
144.04895	2.0
144.49902	0.9
145.06129	2.6
146.04486	5.6
153.06589	5.0
155.08170	0.9
160.00656	17.4
163.03862	0.9
166.09750	3.2
167.04553	5.2
167.08170	2.2
171.07666	0.8
173.00766	1.4
177.03299	6.4
179.04556	11.9
181.06085	2.0
184.10820	1.0
185.05571	1.6
188.43442	0.8
192.07805	1.3
197.05623	2.1
198.08789	1.5
210.08789	11.0
231.04390	1.1
232.33109	0.8
236.48515	0.8
242.07710	0.9
254.07848	13.2
272.08887	21.0
288.06537	8.3
306.07651	100.0
307.07968	7.8
412.11722	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	411.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03803	11.9
59.01252	100.0
65.14863	12.7
69.40883	25.5
69.41291	89.9
78.95779	19.2
84.64094	11.8
89.47232	12.3
94.23305	14.1
152.99489	21.1
154.99898	18.8
218.10973	12.9
355.91788	12.4
379.44507	15.3
437.58817	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13647	1.2
59.01253	100.0
82.96612	1.5
98.20535	5.2
205.67740	1.5
215.83220	1.7
311.76263	1.8
353.21567	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	411.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
69.55569	46.1
78.95801	6.3
96.95917	6.2
98.19770	7.3
137.08643	5.6
151.77524	6.1
152.99443	7.9
154.99887	7.3
197.02705	7.2
320.23911	7.3
353.21613	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	412.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15200	1.0
58.02851	8.7
64.00407	1.0
68.18501	1.1
69.25256	12.3
70.02859	1.2
71.01266	1.6
74.02345	16.0
78.95773	7.1
81.04432	1.4
82.02854	1.1
86.02351	5.3
87.00755	3.2
87.05522	2.8
96.96842	7.2
99.05521	15.1
101.07091	2.1
102.05510	1.6
103.17871	1.0
107.06019	1.6
108.02039	1.7
109.03989	1.6
110.20850	1.1
113.07211	1.1
119.52210	1.0
123.05566	1.8
127.05021	2.0
128.03436	35.3
128.04373	2.1
135.05524	3.9
141.06593	3.8
143.04529	59.9
145.06084	3.3
146.04480	6.1
152.01085	2.2
153.01840	1.4
153.06598	4.3
160.00662	13.6
166.09821	1.4
167.04565	4.1
167.08167	2.6
177.03328	4.6
179.04521	7.5
185.05573	1.9
187.79851	1.1
197.05598	1.5
203.01013	1.2
210.08743	10.0
242.07872	1.3
247.09314	1.1
254.07819	13.3
272.08878	22.8
278.87167	4.5
288.06583	10.7
296.88287	2.7
306.07657	100.0
307.07828	6.1
314.89432	1.3
315.07251	5.1
345.49921	1.0
412.11569	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	412.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35151	1.7
58.02852	10.0
63.96513	1.7
71.56116	2.7
74.02346	17.3
82.02856	2.2
86.02359	5.2
86.05994	2.1
87.05511	4.5
90.00051	2.3
93.89324	1.9
94.20827	1.8
96.96833	4.9
99.05508	12.8
102.05457	2.4
109.03918	2.2
112.03957	2.6
125.03503	2.2
127.05070	3.4
128.03435	39.3
139.32092	1.7
141.06555	3.5
143.04533	47.4
144.04874	2.2
145.06097	2.0
146.04468	4.7
153.06567	2.2
160.00648	15.9
166.09734	2.3
167.04507	3.8
167.88333	1.8
177.03325	6.0
179.04515	8.4
185.05644	2.2
207.24060	1.7
210.08771	8.8
223.17912	2.0
254.07751	16.9
272.08902	25.3
288.06549	7.8
301.08530	2.2
306.07669	100.0
307.07782	3.0
412.12076	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	411.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92920	0.8
59.01249	11.4
61.98703	2.1
71.01250	3.6
72.99165	3.6
75.00745	43.5
78.95776	0.9
82.87552	0.8
85.75266	0.8
87.00758	0.9
89.02327	6.0
93.03323	1.0
99.00761	1.9
99.22903	0.9
99.92422	0.9
101.05952	1.5
109.32381	0.7
117.01802	1.9
118.93187	0.8
125.09602	1.8
135.02888	49.3
139.31775	0.9
139.39911	0.9
142.30881	0.7
171.10217	1.2
179.14339	1.0
180.45348	0.9
187.09633	1.5
195.13828	5.3
214.27342	0.8
223.13361	5.9
228.13705	1.0
235.17110	1.4
256.13208	1.9
265.21817	0.9
275.20132	8.5
283.13748	0.9
293.21213	100.0
294.21487	9.2
301.47501	0.9
392.08618	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	4.6
61.98714	6.8
66.19623	2.7
71.01269	3.3
71.04884	5.4
71.57845	5.5
71.59888	3.2
78.95781	6.0
93.03340	22.8
97.98132	2.8
99.92509	3.7
106.04140	4.2
107.04887	2.8
108.02084	3.4
115.91989	7.4
116.92767	12.2
119.04884	12.7
127.83958	2.9
132.05704	4.3
133.06488	19.7
134.97403	2.7
143.97087	3.0
145.06502	3.6
158.07294	3.1
169.06505	5.7
171.08093	8.4
173.09673	6.6
191.10712	15.2
195.08116	9.1
197.09694	6.2
209.09770	4.0
219.13866	30.1
221.09755	4.5
305.15479	5.9
305.20972	3.0
309.22168	9.4
335.20288	14.5
336.57864	2.8
349.25449	8.8
353.21173	59.7
354.21442	11.2
367.26389	8.2
375.12698	4.5
375.23221	15.1
376.23383	3.8
393.24365	100.0
394.24646	12.6
411.25339	85.3
412.25787	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	411.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	5.9
61.98709	13.0
69.92093	7.4
78.95787	12.3
87.86550	2.0
93.03331	2.1
96.46731	1.8
96.96847	2.4
98.19893	4.0
99.08039	3.2
137.09634	2.1
139.11217	4.2
147.04425	2.7
147.42873	1.7
152.99489	3.6
165.12770	13.4
167.14378	1.7
171.10182	11.9
183.13867	5.2
187.04906	1.8
193.08368	16.6
193.12291	5.1
205.12065	3.4
207.09874	2.3
211.13315	30.3
219.10033	2.7
221.11514	10.0
229.14409	11.7
231.09941	6.7
233.11560	100.0
234.11806	5.2
249.11252	18.0
251.12553	51.5
329.23325	76.2
329.27277	4.2
330.23709	6.3
339.13257	2.1
342.15579	2.0
351.21518	53.3
352.21844	2.6
383.12808	5.4
395.20255	3.0
411.12167	16.4
411.23932	2.7
412.12646	2.4
425.19583	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	411.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	8.3
61.98695	5.3
71.05740	4.7
71.06096	3.0
77.38353	2.3
78.95790	2.2
95.04945	2.0
96.95909	10.1
99.08061	3.3
106.33021	1.7
113.09603	2.2
129.09123	7.5
130.71930	2.2
139.11214	4.3
153.12714	2.8
162.94165	1.9
165.12769	2.9
169.12315	3.9
171.10155	4.7
181.12325	6.3
193.08368	19.8
193.12111	2.4
194.50153	1.8
197.11838	3.0
199.13351	7.0
205.08630	2.6
207.09975	5.0
211.13387	6.1
219.09949	13.5
221.11578	24.5
223.09525	7.7
226.58803	2.1
233.11588	21.2
235.09450	3.7
237.09778	4.6
239.11320	2.6
241.09377	2.7
249.11134	19.4
251.11032	2.7
265.10495	3.1
293.21332	3.5
311.22284	2.9
315.19247	3.2
329.23318	61.8
330.23712	5.5
333.19028	10.4
351.21494	100.0
352.21362	9.1
360.15073	2.1
411.13196	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	410.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16294	0.9
59.01235	1.3
64.42796	0.9
69.87429	4.5
76.74078	1.0
77.79826	0.9
78.95773	21.3
79.18671	1.0
79.71343	0.9
98.63734	0.9
109.03802	1.1
116.07203	1.1
134.57996	1.1
140.01082	4.5
140.95633	1.1
146.08162	1.6
146.26170	1.1
152.99503	3.6
174.01526	0.9
183.13823	4.3
185.11743	2.6
195.13789	13.1
196.03738	9.7
196.14294	1.3
200.51822	1.2
211.13373	2.0
213.14909	100.0
214.15312	6.3
215.67165	1.0
277.12195	1.8
284.87134	1.1
410.14059	1.9
410.19440	24.9
411.19867	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	410.195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	1.4
70.67556	1.2
70.67909	1.9
78.95779	22.9
119.06251	0.7
122.00017	1.0
140.01096	6.4
151.29947	0.7
152.99500	2.9
153.09134	0.8
155.19922	0.6
171.10323	0.8
172.15701	0.8
183.13849	15.0
184.14212	0.8
185.11761	3.7
195.13855	15.5
196.03729	10.3
211.13364	1.0
213.14908	100.0
214.04823	2.3
214.15265	6.5
410.19498	31.4
411.19849	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	410.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17583	0.6
56.91861	0.6
59.01255	1.3
66.05920	0.7
78.95776	100.0
79.47359	0.7
90.13482	0.6
94.32816	0.7
96.50840	0.7
96.96842	7.9
105.10441	0.6
135.19466	0.7
140.01083	0.6
147.04327	0.8
152.99484	20.2
164.07079	2.6
170.09225	0.7
170.99171	0.9
171.00539	18.9
181.35551	0.7
190.90208	0.7
213.11284	0.7
284.07919	0.7
336.15793	2.5
410.19504	60.6
411.20020	6.5
412.24646	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.0
61.32354	0.5
73.78786	0.4
78.95776	8.6
89.29453	0.4
98.19764	1.0
130.08632	0.5
140.01089	1.5
152.99493	3.1
167.14339	0.5
168.74440	0.5
183.13829	5.3
184.14302	0.4
185.11783	1.8
195.13843	13.1
196.03691	1.0
196.14082	0.7
211.13324	1.1
213.14908	100.0
214.04816	2.9
214.15228	6.7
229.14365	3.0
244.36386	0.4
328.43527	0.5
340.24908	0.4
410.19495	9.9
411.19916	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	8.9
62.74577	1.6
64.51714	1.8
67.01764	2.4
71.01245	5.3
72.72573	1.9
72.99174	9.3
75.00768	1.8
83.01268	3.9
85.02814	17.9
85.74526	1.5
89.02310	3.5
96.63537	1.8
98.19725	3.9
101.02337	5.1
103.39950	1.6
110.95955	1.7
111.00760	100.0
112.01118	3.0
113.02310	2.4
119.03387	2.4
129.01817	4.1
133.04959	15.2
135.04393	2.7
147.04407	7.5
154.99744	14.1
173.00819	49.3
174.01160	3.0
174.05550	4.2
191.01883	7.4
191.03412	2.1
192.06630	4.8
236.05637	7.5
238.15027	1.8
295.10217	13.8
313.10068	1.8
375.12991	2.0
407.79187	1.7
411.14996	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	410.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34063	1.2
60.24197	1.6
67.01754	3.1
69.65514	7.8
70.31387	1.4
72.99177	8.9
83.01249	3.5
84.15783	1.2
85.02824	16.5
88.17502	1.5
96.95872	1.5
101.02348	1.6
103.86582	1.3
109.98290	1.4
111.00761	100.0
112.01105	2.1
117.01840	1.4
119.04861	2.1
121.02827	1.4
123.04366	2.4
129.01846	4.9
135.04446	1.7
147.04486	8.8
154.99728	14.2
160.03960	1.4
165.05533	2.5
169.93866	1.4
173.00833	40.0
174.01117	1.6
174.05579	3.5
191.01929	9.9
192.06635	4.8
212.46413	1.5
218.70813	1.4
234.39154	1.3
236.05568	5.3
315.71848	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75632	0.5
52.15436	0.5
53.94813	0.5
59.01259	4.0
66.88712	0.5
69.30721	4.3
69.31135	1.7
76.84065	0.5
78.95778	59.6
96.96849	5.9
110.98378	2.0
150.97945	2.0
152.99493	100.0
153.99875	1.4
167.01041	1.9
171.00539	3.6
173.87923	0.5
185.02109	1.1
195.24687	0.5
213.14970	1.0
241.21709	48.3
242.22057	3.9
255.23256	1.7
264.31973	0.6
409.23584	8.6
410.23956	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2362
Annotation	1-Palmitoylglycerol 3-phosphate
Peak:m/z	Relative Intensity
55.38385	0.4
69.45221	2.5
75.27533	0.3
76.30334	0.3
78.95778	70.6
96.96838	5.0
135.22910	0.3
135.79759	0.3
150.97935	1.7
152.99495	100.0
153.99841	1.5
171.00583	3.0
196.66699	0.3
255.23196	2.1
320.91687	0.4
322.93073	0.4
342.61990	0.4
376.21036	0.4
409.17984	0.6
409.23563	11.7
410.23947	1.5
414.95999	0.4
429.76813	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87288	1.6
59.01251	25.1
60.06409	1.3
61.48540	1.4
71.57558	2.3
78.95774	26.2
87.12146	1.5
110.98418	3.8
135.42767	1.5
143.50655	1.4
152.99493	30.8
154.99969	1.4
167.01096	2.7
185.02087	2.5
241.21698	100.0
242.22081	6.4
330.00067	1.5
409.23541	9.2
410.24191	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	409.2361
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
54.33458	0.3
68.73024	0.3
70.05468	1.6
72.35321	0.3
78.95777	63.5
84.23208	0.3
85.83638	0.3
96.96838	5.4
98.19870	0.4
113.94147	0.3
150.97955	1.5
152.99493	100.0
153.99829	1.6
171.00575	3.7
187.06575	0.3
202.81232	0.3
241.21626	2.4
255.23288	1.2
270.62131	0.3
279.86807	0.3
409.23599	12.8
410.24136	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	409.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96267	0.6
64.84592	0.3
69.59333	2.3
75.16325	0.3
78.10305	0.3
78.95777	64.8
89.26136	0.3
96.96844	5.4
107.57220	0.3
122.74252	0.4
128.39626	0.3
135.23897	0.3
142.32523	0.3
150.97920	1.8
152.99493	100.0
153.99814	1.4
171.00597	2.9
187.95674	0.3
255.23250	2.2
261.29355	0.3
409.23611	10.6
410.23926	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94528	1.0
55.46511	1.0
59.01255	3.1
60.28574	1.0
69.76492	7.6
78.95770	62.9
85.02807	1.3
89.47942	1.0
96.96862	5.5
96.98228	1.4
98.20487	1.3
100.41270	1.0
108.81961	1.1
110.98389	2.6
111.84785	1.1
150.97879	1.8
152.99483	100.0
153.99812	1.8
156.66205	1.1
167.01038	4.1
171.00569	2.9
185.02095	1.6
241.21675	38.0
241.24171	2.0
242.21977	3.1
255.23137	2.5
255.42563	1.2
262.54657	1.3
280.61737	1.3
325.18436	1.7
327.18369	1.6
409.23541	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	409.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94759	0.2
62.96273	0.3
69.87793	1.1
69.88201	0.5
78.95780	77.9
96.96845	7.0
98.19772	0.3
109.24914	0.3
150.97925	1.9
152.99506	100.0
153.99831	1.1
163.88388	0.3
171.00546	2.7
202.75810	0.3
216.42874	0.3
243.17186	0.3
255.23262	2.5
409.23602	10.8
410.24057	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69143	1.4
55.01756	5.1
59.01257	3.8
61.98703	3.0
68.78256	1.6
70.28320	1.6
70.67300	2.0
70.67635	4.1
71.01257	3.2
71.04889	4.4
71.32477	1.4
73.02817	6.1
74.73062	1.6
78.95790	23.9
85.84312	1.6
92.10180	1.6
95.04897	1.7
96.95876	3.9
96.96827	1.9
99.00762	100.0
100.01093	2.4
108.39825	1.8
111.85361	1.6
117.01837	26.3
120.65434	1.8
121.10143	3.1
125.09648	4.9
137.09628	4.6
152.99501	29.9
171.10242	10.9
185.11769	4.2
204.34055	1.9
251.16460	13.2
267.09216	2.7
291.19687	30.1
293.21155	2.3
309.20724	73.3
310.21155	10.1
311.22421	4.8
327.21872	5.6
347.15460	2.7
349.16803	8.9
349.56757	1.8
409.22913	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	409.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	4.3
56.95238	2.3
57.03330	2.2
59.01246	5.0
61.98709	15.0
69.03337	2.5
71.01266	3.4
73.02807	6.7
75.00740	4.9
78.95779	47.2
80.87114	2.0
96.96845	5.0
97.02833	4.0
99.00760	96.8
99.92435	6.9
115.91962	36.5
116.92741	9.7
117.01833	14.8
141.37769	2.4
152.99498	63.1
160.84084	3.2
171.10173	4.1
188.78429	2.3
193.08398	4.6
195.13805	6.1
207.13797	2.8
223.16933	18.1
233.11540	7.7
233.15405	8.2
251.12654	2.9
251.16528	62.9
252.16840	5.6
291.19785	11.9
297.66595	2.2
309.20728	100.0
310.21024	7.9
327.21841	7.4
343.49438	2.2
349.16501	2.4
349.20108	4.1
391.17712	5.1
409.13376	3.1
409.18832	7.4
409.23636	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	409.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11927	0.7
55.01755	5.4
57.03315	0.7
59.01270	1.4
61.98698	2.2
63.05191	0.8
63.24364	0.7
69.27351	1.4
69.27760	6.0
71.01244	2.4
71.04889	4.7
73.02822	7.6
78.95770	1.5
80.09489	0.7
83.04964	0.9
96.95878	0.9
97.06462	1.2
99.00761	100.0
100.01093	2.7
107.04900	1.2
117.01826	25.7
121.10126	3.1
125.09618	4.0
137.09618	4.9
152.99487	1.3
171.10191	11.7
185.11763	3.9
197.11806	1.2
207.13843	0.8
241.35973	0.8
251.16522	13.7
252.16766	0.8
291.19656	27.0
292.19983	1.0
295.66513	0.7
309.20709	73.6
310.21036	4.4
311.22235	1.1
327.21786	2.0
347.15259	1.0
349.20120	0.8
409.22604	9.9
410.22858	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94122	1.2
58.00451	1.3
59.01256	16.2
61.98706	3.9
69.03323	3.2
71.57496	1.6
74.89539	1.2
78.95761	9.0
80.91563	4.2
93.03336	2.6
96.95912	1.5
113.09653	2.2
127.02379	1.4
135.98253	1.3
149.09552	1.8
152.99500	9.1
153.12651	1.2
161.09718	1.4
162.10402	2.3
163.11186	9.5
167.10704	17.3
177.09106	2.1
177.11578	1.4
178.36121	1.2
181.12294	1.4
181.63142	1.1
191.10683	3.3
193.08400	2.0
197.11755	2.8
209.11703	6.6
213.08949	1.6
219.43083	1.3
229.08475	1.8
231.10022	100.0
232.10298	5.7
237.07462	2.1
245.06712	1.4
247.08186	2.8
249.09848	15.4
249.11066	18.8
275.09033	4.7
281.08884	2.8
309.20709	3.5
327.21738	27.9
328.21997	4.4
331.18665	1.7
349.19943	14.2
409.23682	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24580	4.4
59.01250	14.4
61.98710	43.9
63.10132	4.2
67.97653	5.0
71.01244	8.6
71.58429	7.5
78.95782	25.0
93.03358	5.4
109.63254	5.1
111.08046	22.0
122.86318	4.3
152.99448	5.6
169.12250	4.3
177.93086	4.7
185.11760	16.8
193.08403	8.2
197.11795	39.4
207.09961	19.5
209.11884	7.8
219.09984	82.0
221.11606	20.0
233.11613	5.7
237.09824	5.9
239.12677	5.3
243.10045	4.7
249.11020	15.1
261.11121	9.6
273.15103	4.9
279.10861	24.5
280.12909	6.9
287.16284	7.4
312.11755	6.3
313.17682	12.0
327.21780	100.0
328.21991	9.4
331.18872	30.9
349.19864	91.8
350.19675	8.1
373.11902	5.0
390.62729	4.5
410.23096	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	409.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	4.9
59.01247	12.5
61.00718	2.4
61.98683	4.5
69.03317	3.2
69.43504	19.8
71.01243	5.0
71.04873	2.6
78.95780	99.4
85.02839	10.4
95.04912	3.5
96.95894	10.0
96.96835	5.3
97.02836	9.3
97.06458	3.9
98.20561	4.0
127.11143	4.4
137.09631	5.5
152.99487	21.1
155.10716	2.5
165.12737	18.2
171.10143	14.6
179.10547	4.1
183.13779	5.7
183.47827	2.2
186.09511	2.7
188.42712	2.6
193.08423	28.6
193.11920	2.2
203.10620	2.9
207.09911	14.0
211.13414	13.8
219.10010	5.1
221.11737	12.4
222.08707	4.0
229.14403	8.7
231.10063	11.2
233.11584	100.0
234.11928	4.9
249.10866	5.3
251.11038	40.2
252.11574	5.6
261.11121	25.4
273.14587	5.0
291.19565	2.9
313.17920	7.0
327.21808	58.7
328.21814	4.1
331.18970	13.0
349.19913	90.2
350.20056	8.2
409.14355	3.7
409.18723	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	409.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62751	2.4
57.03323	5.5
57.10831	2.3
59.01250	17.3
69.03310	5.7
71.01241	8.7
71.58488	3.7
78.95774	5.1
79.95597	5.5
80.91545	4.0
80.96392	4.1
82.95986	4.3
83.04885	4.2
85.02824	25.5
93.03339	4.4
95.04924	3.0
96.95898	33.8
97.02827	18.9
97.06461	7.1
99.92469	7.4
102.25134	2.5
102.70889	2.6
109.06466	3.2
111.08016	2.8
115.00257	2.1
115.91993	3.9
125.09649	5.7
127.11143	3.0
137.09636	6.8
163.11218	3.8
165.08763	2.7
165.12769	19.1
171.10199	45.8
183.13861	3.9
193.08406	34.3
197.11549	3.2
207.10033	12.7
209.11682	6.9
211.13344	25.0
219.09975	5.0
221.11600	16.7
222.08870	5.4
223.09335	2.9
229.14441	18.4
231.10039	15.6
233.11563	99.2
234.11887	5.2
239.12843	4.4
243.09904	3.0
249.11334	14.3
251.12541	39.9
252.11374	3.8
261.11136	13.5
264.44785	3.2
291.19525	3.2
294.10706	3.1
307.19107	4.1
327.21729	100.0
328.22064	8.7
329.23270	4.7
331.18719	11.3
349.19867	66.0
350.19861	8.1
393.18872	8.9
403.33133	2.5
409.18732	25.1
409.23727	12.3
410.19257	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	11.3
62.13710	1.4
69.56005	4.1
69.56414	8.4
71.01261	10.3
78.20432	1.5
78.95778	100.0
85.02825	3.6
89.02306	7.5
96.96861	8.5
98.20538	2.1
101.02309	4.4
113.02324	3.2
115.08676	1.7
147.04414	3.0
152.99489	26.2
164.07094	5.5
171.00552	19.2
211.88762	1.7
229.14400	14.3
277.16525	4.8
336.15756	3.3
409.20288	2.4
410.19562	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	1.3
56.88119	1.5
57.03342	1.7
58.00477	1.5
59.01255	14.8
71.01250	18.4
71.17393	1.7
71.17729	2.1
72.63995	1.2
73.02819	5.1
78.95779	100.0
81.16917	1.3
83.01260	3.2
85.02824	5.5
89.02315	9.3
96.95860	1.7
96.96838	7.7
98.20468	1.3
101.02325	10.7
105.73801	1.2
113.02322	4.9
115.08678	1.9
125.02315	1.3
131.03375	6.7
147.04422	3.0
149.04501	3.1
152.99506	27.1
153.06540	1.5
161.04414	4.3
164.07112	6.8
171.00563	17.6
185.11867	1.8
209.11806	2.4
211.13588	1.6
229.14407	9.1
265.07745	1.5
277.16571	14.8
314.93768	1.5
327.11203	3.8
336.15875	3.4
397.09607	1.5
409.20673	9.1
410.19604	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1887
Annotation	1-Acetyltagitinin A
Peak:m/z	Relative Intensity
57.57630	0.8
58.00460	1.5
59.01250	7.0
66.34280	0.8
66.48341	0.7
69.03332	1.4
71.01257	3.0
71.57603	1.5
75.00748	13.6
78.95780	16.1
85.57574	0.8
89.42080	0.7
90.97006	1.7
95.04910	2.3
96.00772	1.0
96.96846	7.9
99.00761	15.6
100.30577	0.9
109.06426	0.8
117.01820	0.9
118.96542	2.1
121.02838	1.2
125.09616	0.9
127.07501	1.1
127.11149	2.4
132.98087	4.1
152.99498	22.9
155.10739	1.2
160.97617	1.4
171.10143	2.0
174.99173	10.4
183.13823	2.6
186.99181	1.2
189.00688	1.5
193.08318	0.9
201.11267	13.4
213.04561	1.0
215.02266	0.8
221.15347	0.9
223.17001	0.8
225.04407	1.8
227.05881	2.1
229.03867	1.3
229.07570	3.3
233.15395	1.0
239.02234	2.3
241.00316	1.3
243.05495	1.7
251.16528	6.4
255.05467	1.5
257.04556	1.4
257.07068	18.0
259.08612	3.1
269.07034	2.7
271.05145	4.9
271.08521	4.2
273.18533	1.1
275.20169	1.1
279.09311	1.5
283.08536	1.1
291.19638	2.2
293.21277	1.3
297.10156	3.9
298.07257	6.7
299.04721	1.1
299.08167	17.7
299.11740	2.9
300.08539	1.1
301.06033	1.8
309.20743	9.5
311.08163	1.7
311.22296	28.2
312.22607	1.3
327.21777	0.9
333.20367	1.9
339.11261	4.2
340.11661	1.0
347.15268	2.5
349.16965	4.6
350.59711	0.8
354.09866	1.3
367.17865	1.5
381.15948	1.4
391.18036	4.7
393.15546	1.1
407.17358	2.0
409.19046	100.0
410.19525	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	408.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01227	0.6
64.03264	0.4
69.03326	0.6
71.57940	0.6
72.49025	0.4
77.62609	0.3
78.95779	20.6
84.05269	0.4
108.96931	0.4
121.02939	0.4
122.00018	0.7
140.01079	5.2
152.99500	2.1
165.12762	0.4
167.14325	0.4
171.10161	0.4
183.13835	9.0
193.12279	2.3
194.91600	0.4
196.03738	9.8
208.15570	0.4
211.13344	100.0
212.13670	5.7
214.04803	2.5
283.88232	0.5
287.96945	0.3
408.17935	19.5
409.18375	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	409.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	22.4
69.51989	10.7
69.52396	33.7
71.01244	18.4
75.00739	14.6
78.95774	12.6
79.61283	5.0
83.04893	9.9
85.02824	12.1
99.00756	6.5
101.02262	4.5
111.08032	45.6
113.02352	23.6
129.94864	4.6
149.14304	4.7
152.99503	15.7
159.10175	86.2
160.48312	5.1
173.08154	35.2
249.06116	14.0
274.21933	4.6
315.89914	5.7
409.17178	100.0
410.17725	10.4
410.29608	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2205
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
50.76114	0.2
59.01256	0.4
60.18705	0.2
61.40613	0.2
61.95227	0.2
62.96248	0.2
64.21815	0.2
70.60445	0.9
78.95778	50.0
79.27069	0.2
88.98688	0.4
96.77828	0.3
96.96838	6.8
110.98389	0.3
132.64949	0.2
137.28748	0.2
150.97905	1.7
152.99493	100.0
153.99855	1.5
167.01079	0.3
171.00565	3.8
239.20125	4.1
253.21696	1.5
317.20892	0.4
325.18381	0.4
337.72940	0.2
386.56921	0.3
407.22049	5.5
408.22351	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54168	0.4
55.81655	0.3
59.01252	100.0
60.01595	1.2
61.98697	0.5
62.93331	0.3
66.97350	0.3
71.01271	0.6
71.57935	0.5
75.00745	0.6
77.09118	0.3
78.95796	0.6
79.83853	0.3
82.69307	0.3
85.02852	0.5
96.95897	2.9
152.91679	0.5
171.10229	1.5
178.02727	0.4
194.92879	0.4
309.20700	0.6
325.20099	1.7
347.04880	0.6
347.15402	2.4
401.47617	0.4
407.17255	0.6
408.24332	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70291	0.6
58.08034	0.5
59.01242	1.4
60.90336	0.6
68.02405	44.7
78.95778	6.7
79.89859	0.5
82.03965	3.1
83.02406	0.8
93.19459	0.6
96.01900	1.6
101.05965	11.3
110.03479	3.5
124.07555	0.6
126.99452	100.0
127.99774	3.0
139.08673	2.0
152.08199	2.5
152.99471	7.9
166.09738	9.8
171.00562	0.9
181.10022	0.6
182.09204	1.0
183.01082	1.3
184.01341	0.9
189.48376	0.5
194.09274	7.5
225.88191	0.6
234.00595	0.8
241.21727	5.1
292.08481	5.1
325.18570	0.8
326.18738	7.6
327.18317	1.3
331.36185	0.6
408.17868	0.8
409.23511	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	407.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	4.3
59.01246	12.9
65.03838	22.2
69.03347	2.1
71.01243	1.5
71.04896	13.0
71.58132	1.9
73.49126	1.4
75.00749	12.1
78.95767	4.4
83.04895	1.5
91.89326	1.4
96.95900	1.9
96.96837	6.9
97.06470	27.5
99.00761	35.6
117.01824	1.9
119.08576	5.1
121.06491	39.8
122.10098	1.2
125.09610	19.1
129.26755	1.5
132.98080	5.7
136.48906	1.2
137.09616	2.6
173.01207	2.0
174.99153	17.3
185.11749	35.6
186.12094	1.3
195.13745	1.5
209.11775	17.1
211.13316	15.6
223.16910	3.1
233.15422	4.4
235.13370	40.3
236.13753	2.7
251.16556	10.0
257.08542	1.9
273.14893	2.7
285.08069	2.9
287.09711	3.5
289.12006	5.2
289.18100	11.6
291.09055	1.6
301.07562	1.7
303.08963	2.1
305.10733	7.0
307.12268	11.2
307.19113	32.0
309.20755	18.0
310.21121	2.4
311.11685	4.5
331.12189	3.7
347.15460	6.1
349.13312	100.0
350.13644	10.1
351.11588	1.9
407.20612	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.221
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
51.89491	0.9
59.01247	2.1
71.57777	1.1
78.95779	66.3
96.96854	6.2
110.98438	3.6
134.85631	1.0
150.97972	2.2
152.99495	100.0
167.01088	3.0
171.00632	4.1
185.02103	1.5
239.20129	49.5
240.20518	4.6
253.21599	1.6
333.24435	7.0
407.22055	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	407.207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	29.3
61.98707	3.2
68.84441	1.3
69.03302	1.9
71.01254	74.8
72.01595	1.6
72.99171	1.8
75.00741	26.5
78.95778	2.1
90.97016	1.6
95.04887	2.6
96.99174	2.4
98.90576	2.5
111.08041	5.7
115.00261	89.5
115.91969	1.7
116.00600	1.6
116.92777	2.4
129.10289	1.5
132.98116	1.9
139.89317	1.3
152.49828	1.5
169.01753	1.5
174.99210	3.0
185.01286	2.1
191.03824	1.8
197.11784	22.5
199.02818	3.1
205.05350	2.7
211.02870	3.0
221.37337	1.6
235.22800	1.4
239.05937	2.2
245.04951	3.9
247.06529	4.1
247.49208	1.6
249.04422	2.0
251.06013	8.5
251.16542	6.1
253.07599	9.7
261.04666	1.8
261.18524	2.8
263.06061	5.8
263.20251	1.6
265.07559	20.2
267.09137	16.7
269.07135	1.8
279.05316	3.0
291.19714	9.7
292.20059	1.6
293.07242	1.9
295.08627	49.1
296.08835	3.1
309.10202	100.0
309.20700	21.2
310.10614	8.0
310.21201	2.7
311.08038	1.9
325.20197	2.0
347.15402	4.2
389.16562	2.1
407.21515	31.7
408.21039	6.0
427.94833	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	Daumone 4
Peak:m/z	Relative Intensity
55.01757	1.5
57.03316	3.0
58.00453	1.7
59.01250	58.3
65.91164	0.6
70.93327	1.5
71.01255	29.2
72.99181	3.2
73.02820	1.8
76.19015	0.6
80.96452	0.6
83.01255	2.4
85.02818	12.9
87.00771	1.0
89.02314	24.5
95.01271	2.5
101.02316	19.3
101.05943	0.7
102.17434	0.7
105.01798	2.1
106.60305	0.6
111.08001	0.8
113.02325	9.2
117.39073	0.7
119.03389	9.1
127.11223	1.5
129.01825	0.8
132.19704	0.6
133.04976	0.6
134.10115	0.6
143.03395	1.2
153.17293	0.6
161.04448	2.8
165.12758	9.5
165.51196	0.8
171.10181	100.0
172.10533	4.6
179.05476	1.9
183.13835	15.5
191.01877	1.0
191.73291	0.8
201.14970	0.9
202.02690	1.2
202.28638	0.7
209.11784	5.3
222.96393	0.7
226.11723	0.7
227.12836	41.3
228.13312	1.9
233.45891	0.8
245.13887	5.5
253.09251	10.5
254.09612	0.8
283.13470	1.2
305.16208	1.1
325.14328	0.7
347.16904	0.8
350.92813	0.7
374.71011	0.7
389.18134	1.7
407.19223	83.2
408.19504	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	407.205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70266	3.4
54.59226	2.7
57.03319	4.6
59.01256	17.2
69.03327	4.3
70.07893	11.9
71.01257	4.0
71.04890	13.7
75.00753	5.6
78.95780	9.9
80.89880	2.7
83.04891	9.7
83.82723	2.7
91.59424	3.1
95.03239	2.8
96.95885	32.3
97.06468	3.8
98.43046	3.4
98.47646	3.0
99.04414	5.6
99.92490	3.6
104.29223	3.0
108.10812	3.0
109.06502	3.4
116.84786	2.9
119.04899	3.2
120.08201	3.0
127.07500	3.9
135.35434	3.2
147.04437	3.9
152.99506	10.5
171.10150	8.5
177.12695	5.1
179.14398	4.4
191.14296	4.2
207.13818	6.6
209.33357	3.1
219.10002	4.5
220.74040	3.4
221.11520	7.1
221.15411	6.4
225.14970	11.4
231.46223	3.3
237.14948	10.8
245.11481	23.5
247.13074	10.6
259.13104	4.9
267.16046	7.8
289.14111	11.7
289.18002	9.2
291.19449	4.9
307.19156	9.7
309.20703	10.9
325.20172	100.0
326.20697	4.7
329.17300	11.9
347.18768	16.7
352.08545	3.6
389.16422	8.8
404.78580	3.1
407.17706	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	407.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.5
57.03324	98.0
58.03655	1.8
59.01251	100.0
60.01580	1.0
60.48341	1.2
63.57701	0.8
69.69573	3.3
69.70002	3.5
71.01250	15.1
73.02808	5.6
73.39246	0.9
78.95777	9.2
80.96352	1.3
81.03314	1.4
83.01245	4.6
85.02822	10.3
88.62333	0.9
89.02294	2.1
93.03322	3.3
99.00757	2.9
99.04397	72.3
100.04710	1.8
101.01697	1.6
101.02330	29.8
104.97713	0.9
113.02333	5.7
113.94145	0.9
121.02818	1.9
125.02339	19.0
128.03447	1.0
138.56894	0.9
143.03352	2.1
154.65741	1.0
159.02892	1.7
161.04472	5.1
163.00185	1.7
171.04427	1.7
171.10144	2.5
178.02628	1.3
190.94794	1.0
211.13332	1.1
213.05321	1.0
257.04428	3.0
263.14969	26.4
264.15204	1.1
265.07437	1.4
285.03897	2.2
305.15988	1.9
340.14719	1.1
341.19839	1.0
378.07034	1.3
407.07593	26.6
407.18878	3.3
408.07947	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	407.161
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60006	0.6
59.01249	7.9
71.01238	1.2
73.02810	1.0
78.95782	3.4
79.95615	1.5
85.02834	1.0
93.03335	11.3
93.99490	0.6
94.06516	1.7
96.75542	0.5
96.95884	10.9
105.05703	3.8
107.03657	4.3
108.02051	2.2
112.28082	0.6
120.08078	100.0
121.05233	3.2
121.08427	3.7
122.06001	84.3
123.06350	2.7
128.03320	0.6
134.06000	2.3
136.07585	4.7
137.02274	0.6
137.04735	1.4
148.07607	2.1
152.07086	7.4
164.07085	20.2
165.07407	1.0
165.34859	0.6
170.96597	0.7
171.10176	2.0
190.94914	1.2
210.09108	0.7
212.10678	1.1
215.11859	0.8
225.07912	1.6
227.11931	0.9
240.10260	8.4
242.08189	14.9
243.08466	0.9
243.14929	3.9
257.06882	2.6
269.12933	5.0
284.09241	8.0
285.09827	2.4
287.14011	35.7
288.14294	3.2
313.11938	0.9
317.09030	1.0
347.32724	0.6
395.92712	0.6
407.16165	62.3
408.16425	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	27.5
61.98689	1.5
64.55445	1.4
65.42046	1.5
66.92950	1.5
67.01750	1.6
69.03323	3.9
69.54130	12.1
69.68741	1.4
75.00748	40.1
78.95805	8.6
83.04907	1.6
90.97009	3.6
93.03352	4.4
95.04909	6.5
96.96838	10.6
97.02838	11.6
98.90593	1.8
107.04942	1.6
117.68310	1.8
121.06480	2.1
132.98085	7.9
139.00328	1.5
140.98561	1.6
148.78128	1.4
152.99399	3.4
155.86861	1.6
163.00601	2.3
173.01163	1.6
174.99184	23.9
177.02267	2.1
185.01237	2.5
195.13853	5.8
196.68767	1.6
205.12231	1.8
209.01392	1.9
221.15366	2.8
223.13467	2.8
223.17136	2.3
227.02316	1.5
227.06146	1.8
227.99449	1.7
233.15446	2.1
251.16539	7.0
259.06543	1.9
261.08655	1.9
265.04059	2.4
265.07663	1.7
269.07089	3.6
273.04639	1.9
273.08066	1.5
273.14746	5.8
275.06021	2.2
277.07458	7.4
279.09192	12.6
285.08255	2.9
287.09821	5.2
289.12018	4.1
291.09265	3.8
291.19687	8.9
301.07767	2.6
303.09137	2.3
305.10715	6.3
307.12241	11.6
309.10266	6.5
309.20743	35.6
310.20895	2.4
311.11771	6.1
321.10199	84.3
322.10504	6.3
323.08301	1.6
323.11801	23.7
324.12332	1.7
331.12430	2.8
347.15399	5.8
349.13330	100.0
350.13571	8.2
351.11090	2.5
407.17599	6.7
408.18054	1.9
414.22992	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.6
59.01252	84.0
71.01248	6.3
71.19710	1.6
73.02834	1.9
75.00739	4.7
78.05964	1.4
82.02854	4.6
85.02834	13.5
101.02327	3.2
129.01830	1.7
137.02333	2.6
142.64909	1.6
145.07622	100.0
146.07985	3.7
170.07185	9.1
188.08234	27.8
191.01869	4.2
211.13269	3.1
213.10316	2.1
214.09804	81.9
215.10054	4.2
224.11876	1.7
226.09818	4.4
228.11247	3.5
238.09933	1.7
244.10847	9.3
256.10898	31.3
257.10965	2.6
268.10834	6.2
286.11954	3.4
304.09589	3.5
304.13007	56.8
305.13272	6.6
316.23978	1.8
325.14301	3.9
343.15372	3.5
403.66364	1.9
407.07285	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	407.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.2
61.98695	2.9
69.49002	4.6
69.49403	2.4
77.09187	0.8
78.95779	100.0
88.03919	0.9
89.02278	1.1
96.95859	2.2
96.96842	83.5
101.02318	1.2
110.98412	64.7
133.04948	5.7
147.06516	3.4
156.99704	0.8
205.07487	0.9
273.03925	1.6
275.49887	0.9
371.12112	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75372	0.4
57.03328	0.6
59.01253	9.6
61.60728	0.4
68.02410	0.6
69.03321	0.9
71.01272	0.7
71.57470	0.6
75.00745	8.0
78.95762	0.7
79.95602	0.6
80.96389	100.0
83.04876	0.5
86.98988	0.8
95.04906	0.7
96.95866	0.4
96.96874	0.7
97.02852	0.4
97.06469	0.6
98.20193	0.4
98.90571	2.2
100.55153	0.4
107.04918	0.6
107.08595	0.4
111.08037	2.4
113.04205	0.7
115.05750	2.1
125.09647	0.5
127.11204	0.7
144.06085	1.1
155.14337	0.5
165.12759	7.1
166.13048	0.7
169.12222	0.8
171.10173	1.5
174.99184	1.0
181.01761	0.5
181.12279	0.5
197.11752	7.0
198.12012	0.7
208.81233	0.4
211.13255	0.8
223.02838	0.5
225.04465	0.5
245.04808	0.8
247.06537	0.9
247.20671	3.1
249.08707	0.8
251.06023	1.2
253.07640	1.4
256.11420	0.8
263.06030	1.6
265.07605	6.1
267.09113	4.3
273.18658	2.0
279.05750	0.6
291.19632	16.1
292.19980	2.2
295.08658	3.3
297.06412	0.6
307.17285	2.1
308.17810	0.5
309.10184	34.6
309.20602	5.6
310.10620	2.3
325.18393	60.6
326.18759	6.3
349.13342	0.7
389.16531	0.7
407.10403	0.6
407.15564	4.1
407.24792	0.5
408.16684	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24268	1.6
58.02850	15.7
60.95639	1.5
61.83315	1.5
66.03345	2.2
69.28187	19.5
74.02348	29.3
82.02861	2.6
84.01534	1.6
84.04401	1.8
85.04688	1.7
86.02354	13.9
86.05981	2.6
87.05505	6.8
88.03944	2.6
97.03946	2.7
99.05521	24.1
101.07093	4.2
102.05484	6.3
109.03944	5.0
111.05508	3.1
125.03453	2.9
127.05013	4.0
128.03432	85.4
129.03719	1.8
133.06847	18.0
135.05515	8.6
137.07115	1.7
139.08603	1.8
141.06577	3.9
143.04524	100.0
144.04854	3.2
145.06073	3.1
146.04506	11.9
153.06593	6.6
166.09720	3.9
167.04550	2.5
167.08179	3.7
171.03920	3.4
179.04543	26.6
180.04843	1.8
181.06102	2.6
185.05608	5.4
192.07689	2.3
196.53020	1.8
197.05592	6.3
210.08809	26.6
211.09163	2.1
228.09828	4.8
254.07800	58.1
272.08881	63.9
273.09219	4.1
277.12253	5.9
300.14633	1.8
308.07800	2.7
388.15390	12.0
406.16534	66.3
407.16730	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	406.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02846	13.4
66.03359	1.4
67.08521	0.6
70.10179	2.1
72.00782	1.0
73.30618	0.5
74.02343	24.5
78.14365	0.6
81.04453	2.1
82.02847	3.0
84.04412	1.6
86.01857	1.1
86.02346	12.0
86.05999	2.2
87.02634	1.4
87.05517	5.2
88.03927	0.7
95.02364	0.8
96.04419	1.0
97.03937	3.7
98.19859	1.0
99.05512	22.5
101.07071	4.8
102.05486	4.2
107.06031	1.9
109.03928	4.3
109.07578	1.0
111.05526	2.0
112.03906	2.3
113.03453	0.8
123.05592	1.8
124.03973	0.7
124.07607	0.7
125.03417	3.8
126.04237	0.7
127.05022	3.8
128.03424	72.4
129.03754	2.0
133.06827	18.2
135.05536	6.3
137.07068	1.8
139.04971	0.7
141.06580	2.7
143.04521	100.0
144.04861	2.8
145.06075	3.6
146.04500	10.5
149.07147	0.8
153.06595	6.3
155.08141	1.6
165.41760	0.6
166.09772	3.5
167.04541	3.5
167.08168	6.4
168.48146	0.6
170.03247	2.6
171.04028	2.4
179.04547	24.8
180.04907	1.5
181.06123	2.6
184.10690	1.0
185.05727	3.1
192.07634	2.9
197.05614	5.3
210.08755	24.6
211.09177	1.2
228.09898	1.7
236.06693	1.9
254.07796	52.5
255.08165	3.8
272.08865	52.2
273.09140	3.6
277.12238	6.8
292.11111	0.7
308.07190	1.2
388.15396	10.9
389.15884	1.2
406.16516	59.8
407.16772	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	406.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87372	0.3
53.97367	0.2
59.01231	0.6
66.00849	0.8
67.30298	0.3
68.02406	13.9
70.26902	0.8
70.27291	0.6
79.95613	0.3
83.01115	0.4
91.01787	0.4
96.01904	7.3
96.87096	0.3
96.95889	9.7
97.95848	0.5
98.95451	0.8
101.05976	1.3
109.81672	0.3
124.01413	5.9
125.02201	17.2
126.02967	0.6
126.99454	100.0
127.08627	0.7
127.99785	3.2
128.99158	2.1
138.48543	0.3
140.07091	0.5
141.09065	0.5
142.41086	0.3
164.08191	6.6
165.08621	0.5
171.10175	0.3
180.07693	1.4
181.60555	0.3
182.09267	72.9
183.09642	3.3
193.08508	3.0
245.46088	0.3
250.15778	0.4
266.15060	0.7
278.15027	1.7
279.15509	0.4
290.52066	0.3
292.08423	0.4
304.86969	0.3
325.18533	0.5
326.27737	1.6
406.15463	2.8
406.23404	5.8
407.15744	2.1
407.23297	0.8
410.28030	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.3
60.32198	0.1
68.02397	0.3
78.95781	0.4
101.05956	100.0
102.06283	2.6
126.99456	4.4
127.00407	0.1
128.99164	0.5
150.01025	0.2
152.08182	0.2
152.99484	0.2
171.00571	0.2
180.07678	0.4
182.09265	29.8
183.01134	1.0
183.09647	1.6
185.02052	0.1
197.02715	1.2
228.16823	0.1
266.15125	0.3
325.18408	6.3
339.19949	0.2
406.15363	1.2
407.16028	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67259	0.2
78.95766	0.4
101.05959	100.0
102.06289	2.1
110.98360	0.2
126.99435	1.3
128.99141	0.3
152.99437	0.4
180.07689	0.5
180.54771	0.2
182.09274	2.2
183.01172	0.6
183.09645	0.2
185.02081	0.2
197.02817	0.3
266.26462	0.2
272.80872	0.2
295.25134	0.2
325.18448	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	406.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.6
62.51801	0.2
65.66680	0.2
66.00846	0.4
68.02408	12.4
71.38350	0.4
81.19917	0.2
91.01772	0.4
96.01902	5.3
101.05959	3.1
106.98471	0.2
110.01067	0.4
124.01427	7.2
125.02201	22.6
126.02550	0.3
126.03003	0.3
126.99455	100.0
127.08672	0.8
127.99801	2.9
128.99167	0.9
135.95857	0.3
139.08717	0.5
140.06995	0.4
152.08296	0.3
164.62967	0.2
167.08170	1.8
170.06032	0.2
180.07687	1.7
182.09267	99.4
183.01106	0.3
183.09634	4.6
193.08543	0.3
197.02701	4.5
198.03424	0.5
221.08029	0.5
230.02576	0.5
239.20183	0.5
266.15091	1.3
293.21826	0.2
324.17319	0.3
325.18411	19.8
362.27890	0.4
388.25912	0.7
405.26459	0.9
406.15359	9.0
406.26776	6.6
407.15796	1.0
407.27097	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40571	0.6
59.01241	2.1
59.73818	0.5
63.44207	0.5
68.02385	0.6
78.95770	5.2
80.00861	0.5
96.96808	0.6
97.22818	0.5
101.05958	100.0
102.06313	2.9
105.67077	0.5
126.99455	2.9
128.99168	6.4
148.28949	0.6
152.99490	5.7
171.00554	3.2
171.10164	1.1
180.07689	10.4
181.08051	0.9
182.09280	3.3
183.01144	5.3
186.82251	0.7
229.39536	0.7
325.18405	18.7
401.92911	0.6
406.13968	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90462	5.0
59.01250	100.0
60.02792	3.9
62.28805	4.4
66.39256	4.1
71.57593	7.3
72.34959	4.2
78.95775	7.5
92.39296	5.0
102.06271	3.8
135.43176	3.9
152.99492	5.4
166.52266	3.9
210.34163	4.8
245.15901	4.5
351.88205	4.8
377.48242	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	4.8
68.02405	7.3
71.01255	0.7
74.15984	0.5
78.95787	1.0
83.04893	1.1
87.25487	0.5
95.04852	0.6
96.95889	0.5
97.06469	0.8
101.05997	1.4
101.63673	0.5
108.08906	0.6
109.06456	1.3
111.08015	1.3
116.94867	0.6
124.01424	0.8
125.02210	2.5
126.99454	19.8
127.99766	0.9
128.99142	1.2
135.08052	0.9
137.09601	1.0
165.37117	0.5
167.75954	0.5
179.14171	0.8
180.07655	1.2
181.08057	0.6
181.12291	0.7
182.09244	10.7
182.21138	0.6
203.14322	0.8
205.15968	0.6
211.13330	0.8
213.14880	1.7
231.17500	1.2
237.14937	0.7
239.16483	2.6
241.18054	1.8
247.13310	1.2
253.18214	0.6
267.19720	0.8
275.16650	1.3
277.21936	0.5
291.19693	1.2
292.08417	0.9
313.25375	0.9
315.26907	2.3
323.16855	2.4
323.22281	4.4
325.25366	4.7
333.28052	1.4
341.24799	1.9
343.26480	3.2
351.23303	1.1
359.25949	3.3
361.27408	2.2
362.28131	0.7
369.24423	4.5
370.24765	0.9
377.26959	1.3
387.25400	11.3
388.25684	1.2
405.26459	100.0
406.15497	1.8
406.26840	14.1
414.28778	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2648
Annotation	3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate
Peak:m/z	Relative Intensity
57.03332	1.0
59.01246	4.5
68.02411	3.9
70.15533	3.4
78.95778	1.8
83.04902	1.6
85.23970	1.0
97.06484	0.9
98.20605	1.2
101.05963	1.1
102.05500	1.6
126.99447	4.4
128.99170	1.7
135.33925	0.8
152.99529	1.5
173.57910	0.8
180.07701	1.8
182.09235	1.8
183.13669	0.9
211.13275	1.1
213.14900	2.0
231.17433	1.0
239.16490	2.0
241.18117	1.3
247.13443	1.1
315.26883	1.6
325.25281	2.7
333.27820	1.0
341.24777	1.6
343.26413	3.3
359.26019	2.6
361.27548	2.3
369.24396	4.8
377.26904	1.2
387.25412	12.5
388.25824	1.2
405.26443	100.0
406.26794	15.6
427.02405	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56924	2.3
59.01229	5.3
60.94923	2.4
60.99177	4.2
69.57412	18.5
70.31222	2.1
78.95777	69.0
84.80804	2.2
88.98681	22.9
89.02312	9.0
96.96836	9.0
105.97777	2.2
106.99778	2.0
109.06434	2.0
152.99496	100.0
171.03247	2.5
315.19522	18.8
316.19482	3.4
395.87729	2.4
405.20557	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	405.2644
Annotation	3-Oxocholic acid
Peak:m/z	Relative Intensity
59.01242	1.1
63.05994	0.3
70.01480	0.6
70.01869	1.1
73.59559	0.3
78.17229	0.3
78.95773	0.8
83.04905	2.0
85.06459	20.7
85.15264	0.3
86.06796	0.4
98.19876	0.3
101.05943	0.5
101.82371	0.3
102.42184	0.3
111.04399	10.3
112.04757	0.4
120.68050	0.3
126.99439	0.5
129.05464	100.0
130.05803	2.7
135.48299	0.3
140.34554	0.3
148.35814	0.3
180.07703	0.4
182.09328	0.3
195.13940	0.5
255.23358	0.6
275.20163	3.0
293.21225	7.8
294.21609	0.6
374.18985	0.4
386.44781	0.3
403.32892	0.3
405.32928	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.8
59.01252	4.9
68.02407	7.3
68.16400	0.4
69.03304	0.5
70.65768	0.5
70.81808	1.1
70.82161	0.8
71.04871	0.6
83.04894	1.4
95.04882	0.7
96.95871	0.5
97.06445	1.1
100.05658	0.5
101.05952	2.1
109.06459	1.2
111.08043	0.9
122.72610	0.4
125.02188	1.8
126.99454	19.5
127.99759	1.0
128.99115	1.0
135.08101	0.6
137.09642	1.1
152.08183	1.0
157.12123	0.5
167.08174	0.5
171.10243	0.5
177.12697	0.6
180.07675	1.9
181.12148	0.6
182.09274	8.2
211.13365	1.0
213.14825	2.3
231.17485	1.6
239.16431	2.3
241.18034	1.2
247.17104	0.5
257.18872	0.5
259.69092	0.4
267.19635	1.1
271.20535	0.5
277.18060	0.7
291.19540	0.8
313.25363	0.7
315.26923	2.4
317.28397	0.8
323.16916	2.6
323.22070	2.6
323.48093	0.5
325.25320	5.2
326.25778	0.5
333.28049	0.7
341.24786	1.9
343.26208	3.3
351.23444	0.9
359.26031	3.0
361.27478	3.9
369.24246	5.1
377.26886	1.0
387.25412	13.1
388.25720	0.8
405.26456	100.0
406.15326	0.8
406.26749	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	405.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	56.0
71.01233	3.9
71.04896	36.5
71.57307	3.8
71.57670	5.9
72.99175	32.9
77.50101	3.0
78.95785	9.5
80.74531	3.3
84.31976	3.3
91.48940	3.4
93.03363	3.7
94.95499	3.3
96.95875	4.8
97.06489	9.1
107.04974	4.5
112.04460	3.7
120.88152	3.5
125.09600	7.7
142.86456	3.8
147.08069	9.9
152.99480	5.0
217.16110	3.6
219.13896	5.2
222.58525	3.7
233.42369	4.2
235.16905	8.2
265.18100	6.2
284.14307	4.3
291.19669	80.3
292.19986	9.3
305.21310	10.2
313.17850	82.5
314.18140	11.4
323.22235	100.0
324.22632	11.2
331.17569	4.4
345.14389	5.1
345.20462	11.3
373.18729	11.4
405.16187	7.7
405.22009	23.9
406.22693	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	405.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37648	0.9
59.01238	2.4
71.57643	0.9
71.58021	1.0
78.95779	55.2
88.71789	0.9
88.98686	0.9
92.03902	0.9
96.96863	6.7
115.37302	0.9
126.02090	0.7
150.97897	1.5
152.99496	100.0
153.99818	1.4
167.93594	0.8
171.00636	4.5
197.27484	0.8
251.20142	1.2
291.19958	0.8
405.20471	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	405.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.1
57.03321	0.6
58.00484	0.7
59.01251	70.4
60.01603	0.5
60.28500	0.4
61.98693	0.5
68.99702	0.4
71.01253	22.7
71.57777	0.4
71.58176	0.5
72.01600	0.5
72.99185	1.3
73.02819	11.4
75.00726	0.6
78.95822	0.3
79.95604	0.8
80.96412	0.7
83.01255	3.9
83.04903	0.4
85.02831	6.9
87.00756	1.3
89.02316	7.6
89.02828	0.6
91.01830	0.4
93.03342	0.8
94.56808	0.4
95.01269	0.9
96.95879	5.4
97.02854	0.9
99.00758	2.1
101.02323	16.9
102.02687	0.6
109.02852	0.4
111.00783	0.4
113.02330	7.8
119.03388	3.7
126.99458	100.0
127.99812	3.5
129.01830	0.6
129.05647	0.4
131.03391	0.7
135.04427	1.3
139.95110	0.3
141.10403	0.5
143.03404	1.6
148.03955	2.7
149.04427	0.5
155.14301	1.2
159.02937	0.9
161.02412	0.4
161.04463	7.8
179.03372	1.0
181.15846	0.6
183.13826	4.3
198.60686	0.4
199.13315	2.9
201.14781	0.6
205.03539	0.4
225.11223	0.7
225.14893	0.8
236.72276	0.4
317.17511	0.4
323.50388	0.4
345.19202	8.4
346.19394	0.8
353.53036	0.5
363.20218	7.4
364.20483	0.5
405.15463	3.8
405.21198	27.8
406.16504	0.5
406.21832	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	405.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29898	0.7
59.01252	100.0
71.01261	1.2
71.57726	0.9
73.90775	0.5
80.96387	3.7
96.95889	2.1
98.10890	0.5
111.92859	0.9
119.47868	0.5
211.13385	1.0
223.13463	1.0
327.15799	0.7
405.25174	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2129
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01758	1.1
57.03327	1.1
58.00481	0.7
59.01252	74.6
60.01582	0.7
69.83942	1.1
69.84346	2.0
71.01253	31.0
72.99170	2.3
73.02818	20.2
74.02331	0.5
79.95598	0.9
80.96409	0.7
83.01261	6.6
85.02826	7.9
87.00734	1.5
89.02321	10.9
93.03394	0.6
95.01281	1.8
96.45368	0.5
96.95882	2.9
99.00761	2.5
101.02323	25.4
102.02674	0.7
110.51958	0.5
113.02330	8.9
119.03365	4.0
125.02321	1.0
126.99455	100.0
127.99809	3.1
128.03435	0.5
129.01784	0.6
131.03394	1.5
134.03625	0.5
135.04366	0.8
143.03409	1.5
149.04463	0.9
155.14297	2.1
161.04468	7.7
161.05780	0.6
179.03331	0.6
179.05522	0.7
181.15874	0.8
183.13812	8.9
191.02115	0.6
199.13362	3.9
201.14828	1.4
225.11229	1.3
225.15010	0.6
345.19202	8.3
363.20227	13.1
364.20639	1.2
385.44589	0.7
405.15897	1.9
405.21259	45.3
406.21921	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	405.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.0
69.27402	1.1
69.27823	3.1
75.60571	0.4
78.95776	65.5
82.72532	0.4
88.98661	0.9
89.02351	0.6
96.96844	4.6
98.19826	0.7
137.67903	0.3
140.16499	0.4
150.97931	1.7
152.99490	100.0
153.99872	1.1
165.47362	0.4
171.00568	2.4
232.19537	0.4
239.54642	0.5
251.20227	1.5
277.67456	0.4
315.19476	0.5
405.20490	8.8
406.20395	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19595	0.5
59.01249	0.6
78.95779	50.1
96.96854	4.5
98.19735	1.2
135.65091	0.6
150.97984	1.6
152.99496	100.0
153.99823	1.7
171.00595	3.8
230.32544	0.6
251.20143	1.0
405.20441	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34607	0.4
59.01235	0.8
62.96287	0.4
67.94642	0.4
69.27474	4.6
78.76573	0.5
78.95779	70.2
88.98637	0.4
95.68170	0.4
96.96840	4.4
113.61559	0.5
132.14513	0.4
139.24535	0.5
146.16568	0.4
150.97920	2.3
152.99496	100.0
153.99832	1.7
161.63171	0.4
171.00558	2.1
251.20279	2.1
251.22594	0.5
275.30859	0.4
307.51541	0.5
315.19617	0.5
386.05548	0.4
405.20441	8.6
405.25647	0.7
406.21094	0.9
414.05380	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1921
Annotation	Argentine
Peak:m/z	Relative Intensity
57.03327	2.2
58.58693	1.1
59.01262	5.9
65.00642	1.1
65.03825	4.2
66.93427	1.4
69.03326	3.6
70.15905	5.0
71.01257	100.0
71.04894	19.4
72.01582	1.6
72.99174	2.8
78.95788	2.6
80.47881	1.0
81.03339	2.1
83.04876	2.1
88.98689	2.3
92.36378	1.1
95.04908	3.2
96.95918	3.2
96.99207	5.0
97.06474	12.5
99.00758	2.0
107.04932	6.3
109.06479	2.8
113.51080	1.2
115.00266	49.1
117.80774	1.3
119.04932	6.0
121.06502	13.6
123.08059	3.3
125.09612	12.7
135.08073	3.3
147.07964	1.1
161.06015	1.3
173.09599	1.6
175.07585	3.3
185.11736	9.8
191.10736	7.1
193.11140	1.2
197.11725	1.9
208.60265	1.5
209.11731	4.8
211.13362	3.6
217.12225	1.3
220.14684	11.2
221.15164	1.9
233.15477	3.0
235.13359	10.8
245.15422	3.3
265.14386	1.8
271.13309	1.3
275.12640	1.4
287.16507	2.1
289.14511	9.0
289.18130	8.9
290.15005	1.4
299.20261	1.7
305.17538	4.1
307.19284	6.0
317.21097	11.1
343.19034	4.1
361.20276	5.3
405.19211	67.4
406.19440	9.0
406.24326	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18166	1.1
59.01251	22.0
71.01260	11.7
71.04900	2.7
71.57423	2.1
71.68683	1.2
72.99158	1.2
73.02812	2.7
74.53126	1.2
75.00780	1.5
85.02805	6.2
87.00765	2.7
89.02321	6.6
90.46279	1.2
92.72754	1.3
93.03342	14.3
95.01275	1.7
95.04915	3.7
96.95911	1.6
97.02828	4.2
99.00750	10.5
100.44621	1.2
101.02296	7.9
113.02329	6.4
123.03520	2.6
123.04408	50.6
124.04755	1.8
125.09627	3.0
133.04958	1.5
135.04373	1.9
136.01578	1.4
137.02341	23.2
141.01784	2.0
149.02324	3.0
150.03119	4.8
153.14015	1.5
161.04527	1.4
163.11183	4.9
165.05489	4.6
172.05234	2.7
173.06001	2.5
174.03117	3.1
177.03214	2.0
179.03520	1.6
181.12291	16.0
183.10146	7.2
185.11621	1.4
195.06488	1.9
199.13321	9.9
207.10219	21.6
221.04422	1.4
223.09743	2.4
225.11310	35.2
226.11665	2.3
243.12354	100.0
244.12741	7.4
267.12247	3.4
272.09021	1.3
281.06677	32.0
282.06979	2.4
285.13409	3.3
285.85345	1.3
325.14465	8.2
343.15506	4.2
357.13312	2.2
361.17206	1.7
405.11917	21.9
405.17603	9.6
406.12021	3.6
406.17285	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	405.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02852	8.4
59.01249	2.0
67.28851	0.5
69.35063	2.5
69.35489	2.7
71.01255	0.6
74.02348	19.7
78.95774	0.9
81.49886	0.6
87.05499	1.3
90.00096	0.8
91.81659	0.5
97.03916	0.8
99.04932	1.0
99.05524	14.4
113.03372	0.8
116.77999	0.5
128.03462	1.0
131.04541	4.2
143.04527	45.1
144.04843	1.6
160.00612	0.6
177.03316	100.0
178.03600	3.1
209.11795	1.8
225.11264	0.7
227.12500	0.9
244.38608	0.5
278.53168	0.6
405.17096	2.3
406.18234	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57158	1.7
57.03291	2.7
57.24543	2.0
59.01249	21.8
59.09753	1.8
65.20068	1.7
69.59523	12.0
71.01257	20.5
72.99198	3.9
73.02821	3.8
74.00607	1.9
74.02335	3.0
78.95782	5.1
85.02827	7.9
87.00739	2.1
89.02300	5.5
97.06538	2.3
99.00748	6.4
101.02291	9.8
113.02326	7.0
114.05515	2.1
115.34730	1.6
125.09655	2.0
139.11160	2.4
141.12851	1.9
143.04471	3.0
152.99532	2.0
155.14296	3.5
163.11176	3.2
177.03333	3.9
181.12283	9.6
183.13817	7.3
199.13344	100.0
200.13739	5.4
207.10222	9.6
225.11305	31.4
227.12886	2.1
243.12360	80.7
244.12543	3.8
325.89963	1.9
361.18719	24.2
405.12820	4.1
405.17603	47.6
406.18314	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	405.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83528	0.3
57.03324	46.3
58.00489	0.5
58.03682	0.7
59.01251	100.0
60.01582	1.0
63.06289	0.3
65.95438	0.2
69.03326	0.3
70.90156	0.3
71.01257	11.4
72.99180	1.0
73.02824	4.9
75.00764	0.3
79.05431	0.4
79.05951	0.3
81.03317	0.8
83.01260	2.6
85.02820	3.5
87.00738	0.4
87.95544	0.3
89.02319	8.5
93.03340	0.6
95.01280	0.7
97.06506	0.3
99.00800	0.3
99.04397	35.1
100.04740	1.1
101.02322	16.3
113.02332	4.5
113.06020	0.3
114.02739	0.3
115.95227	0.3
119.03400	2.5
120.01212	0.3
123.04428	2.7
125.02341	9.9
131.03397	0.6
135.04436	0.4
135.75690	0.3
137.02361	0.5
139.03902	2.0
141.05496	0.6
143.03381	1.6
143.04462	0.7
149.04472	1.0
150.05504	0.6
153.05441	0.5
161.02357	0.6
161.04475	2.1
179.05533	2.4
229.16049	0.3
256.59534	0.3
261.13309	0.8
303.06360	0.5
303.14529	0.3
405.12253	0.4
405.16763	0.6
405.20996	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.6
70.15719	1.7
72.99194	0.5
73.01022	0.6
79.05406	0.5
80.96389	100.0
83.04900	0.4
95.04903	0.4
96.95876	0.4
98.01797	0.5
111.08048	0.8
113.04186	5.2
119.04976	0.4
123.08057	0.4
123.97087	0.4
125.00574	0.8
139.29855	0.4
140.02919	1.1
163.11198	1.0
165.12750	3.3
166.90875	0.4
185.68999	0.4
191.14310	3.6
209.11790	0.4
211.13408	0.4
215.10873	0.4
217.15907	0.6
221.11813	0.9
245.19096	3.0
271.17078	0.9
289.18103	12.6
290.18420	1.1
305.15918	1.1
323.16852	55.7
324.17154	5.1
367.78427	0.4
405.14014	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	405.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.8
59.01249	2.9
60.67935	0.5
61.32343	0.4
69.90790	1.9
72.99168	0.7
79.95640	0.7
80.96387	100.0
86.98955	0.5
95.04887	0.6
96.95899	0.5
98.20485	0.9
108.26698	0.4
113.04185	4.8
126.99513	0.6
137.09671	0.7
140.02893	1.0
149.09544	0.6
153.12756	0.9
159.16589	0.4
163.11172	1.1
165.12723	1.4
182.07646	0.5
187.07953	0.8
191.14357	2.3
216.08195	0.5
220.14626	2.6
221.15227	0.7
245.19066	5.8
248.32707	0.4
271.16983	1.1
289.18088	14.8
290.18369	1.0
305.15723	0.7
323.16833	61.2
324.17209	6.5
343.45505	0.5
405.13794	3.7
405.18933	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43225	0.3
57.03309	0.5
59.01252	2.2
63.96102	1.4
71.01263	0.5
71.04874	0.6
71.58509	0.4
79.95615	3.8
80.96392	100.0
85.02825	0.4
93.03310	0.4
96.95899	1.2
102.01324	1.9
109.01079	0.5
111.22578	0.4
111.92830	17.3
112.93620	0.6
125.09574	0.5
139.05690	0.4
140.37183	0.4
153.07353	0.5
163.11229	0.6
171.10231	0.5
182.07584	1.1
183.13786	1.8
191.14366	0.5
199.13354	0.5
227.18068	0.7
233.15454	1.3
245.19067	0.9
251.10979	0.5
254.58788	0.4
261.16711	0.6
267.11630	0.6
267.14246	4.3
268.14709	0.6
271.17078	1.5
289.18076	5.1
290.18469	1.0
305.15756	6.8
306.15894	0.7
323.16833	35.7
324.17206	4.0
405.14084	18.3
405.19376	0.7
405.22424	0.5
406.14407	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.6
59.01250	17.2
60.01599	0.5
68.99694	1.0
69.03314	0.4
69.70536	1.5
69.70941	0.8
71.01254	10.3
72.99165	1.1
73.02828	2.3
78.95777	1.1
83.01256	1.5
85.02810	4.6
87.00745	0.9
89.02310	2.6
93.03334	26.8
94.03670	0.7
95.01260	1.4
95.04912	4.3
96.99194	1.4
97.99964	0.4
99.00758	2.5
101.02322	7.7
105.03354	0.7
108.02039	1.4
109.06460	0.5
113.02326	5.1
119.03378	0.8
119.04920	0.7
121.02834	2.5
122.03635	0.7
123.04408	100.0
124.04755	4.2
125.02346	0.6
133.02895	0.5
133.04967	0.6
135.04434	1.0
136.01575	2.3
137.02344	49.9
138.02693	1.6
147.04472	0.6
149.02342	6.4
150.03137	7.1
161.02333	0.8
161.04530	0.6
163.11189	1.2
164.04654	1.4
165.05490	10.4
166.05922	0.8
166.44467	0.4
173.06030	0.7
174.03165	0.9
178.04964	0.4
179.03409	1.5
179.10762	0.5
180.04214	0.7
181.12270	1.9
183.10181	10.0
184.10472	0.6
189.05524	0.9
191.03470	1.1
194.05783	1.0
195.06583	5.1
196.06839	0.5
199.13329	1.6
207.10233	3.7
209.08125	1.5
209.11745	0.5
221.04553	0.7
223.09743	0.7
223.13441	0.4
224.10031	0.6
225.11311	7.7
243.12350	15.5
244.12674	0.9
246.20284	0.4
281.06653	57.2
282.06995	3.9
325.14429	2.0
343.15540	1.4
357.13425	2.7
387.16223	0.5
405.11920	35.3
405.17355	2.7
406.12231	4.4
406.17676	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	13.5
59.01250	100.0
60.01589	1.1
71.01255	4.0
71.13134	0.5
73.02811	1.6
75.61949	0.2
83.01280	0.9
85.02834	1.0
89.02318	3.0
99.04392	10.0
100.04752	0.3
101.02325	5.3
101.05168	0.3
113.02347	1.7
119.03408	0.7
123.04385	0.5
124.39359	0.3
125.02335	2.7
126.02651	0.3
137.02364	0.4
141.05476	0.3
143.03442	0.6
149.04506	0.4
161.04507	0.8
165.85561	0.3
179.05563	0.7
261.78601	0.3
303.06433	0.8
405.12103	0.3
405.17087	0.3
405.21814	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16533	0.5
56.47290	0.5
57.03319	0.6
59.01253	100.0
60.01583	1.1
61.37103	0.6
71.01225	2.8
71.57880	0.7
71.58244	0.5
72.99186	0.8
78.95811	0.8
79.95625	0.6
81.32405	0.5
85.02823	3.1
89.02332	1.2
93.03342	5.2
95.28780	0.5
97.01940	0.6
101.02364	1.9
111.00759	0.8
113.02342	0.8
123.04414	1.1
134.03688	0.6
137.02357	10.5
138.02701	0.8
141.98134	0.6
150.03194	0.7
150.05515	0.6
160.01529	0.6
161.02338	1.2
165.05540	0.6
172.05211	0.6
173.06036	1.1
174.03131	0.8
185.54445	0.5
197.12227	0.6
199.04166	0.5
281.06546	0.8
285.11627	0.6
318.11526	0.8
325.14737	1.1
329.10532	1.2
343.15601	1.3
405.06616	0.7
405.11789	0.8
405.21414	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	1.6
59.01244	9.8
63.02258	1.7
65.00196	1.8
68.99673	1.0
69.03322	3.4
69.15295	0.7
71.01257	6.2
71.57840	1.3
73.02811	1.0
78.95795	1.0
79.95610	0.9
83.01270	1.0
85.02816	5.0
89.02324	2.3
93.03339	15.6
95.01293	1.0
95.04902	1.2
97.02836	1.7
101.02330	3.0
107.01273	1.2
108.02049	1.3
109.02845	5.6
112.93597	1.4
113.02354	2.1
117.03344	1.2
119.01279	1.5
119.03447	1.1
119.04932	2.3
121.02873	2.8
123.00806	0.8
123.04411	23.6
125.02308	4.4
128.99179	1.4
133.02867	3.4
134.03600	1.1
134.86766	0.7
135.00829	1.6
135.04439	1.1
136.01569	1.2
137.02328	14.0
139.03902	4.2
142.54480	0.8
143.04932	3.6
145.02852	8.5
147.00795	3.5
147.02917	0.8
147.04391	2.1
148.01566	3.7
149.02327	4.9
150.05511	1.2
151.00325	3.6
155.04950	1.7
156.88916	0.8
159.04503	0.9
161.02364	4.7
163.00299	4.1
165.01825	1.3
167.04916	1.4
169.02791	1.0
169.06436	0.9
169.12250	0.8
171.04436	9.4
175.00351	3.9
175.03978	1.1
176.01062	3.3
181.12158	0.9
182.03539	0.8
183.04424	5.6
187.03920	5.6
189.01837	1.3
191.03505	1.0
195.04416	3.7
196.05165	1.1
197.06087	1.1
198.03191	3.0
199.03951	5.3
200.04660	1.8
201.05592	1.0
210.03186	1.2
211.03954	20.0
212.04648	2.7
213.01968	3.4
213.05486	3.3
214.02617	3.3
215.03479	2.6
223.03922	1.3
226.02672	1.9
227.01273	1.3
227.03409	10.3
228.04189	5.6
229.04921	2.5
239.03464	8.2
240.04195	3.3
241.01385	1.7
241.05138	2.1
242.02255	3.7
242.05792	4.5
243.02940	1.9
243.06616	2.3
254.02205	1.2
255.02962	23.3
256.03732	14.3
257.04501	5.0
266.02322	1.9
267.02972	14.5
268.03735	4.6
270.01773	2.2
271.02539	2.1
277.37769	0.8
281.06659	10.9
282.01794	0.9
283.02478	48.2
284.03098	9.1
285.04028	1.8
287.07196	0.9
295.02496	2.2
303.06802	0.9
305.08221	1.1
311.01968	23.3
312.02747	50.2
313.03387	9.2
333.07742	2.7
349.07159	1.8
377.01831	1.7
377.06644	36.1
378.06891	5.5
405.06183	100.0
405.11618	7.2
405.20901	4.3
406.06754	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02847	12.1
59.01254	3.7
60.75552	1.6
70.32425	7.3
71.01260	3.3
74.02348	24.4
82.45921	1.8
83.55802	1.6
85.02826	1.8
86.02362	8.7
87.05516	6.7
90.00049	3.4
97.03944	3.6
99.05537	22.7
101.07075	3.7
102.05482	9.1
112.03956	3.1
116.01649	2.1
123.05585	1.8
125.03473	2.3
127.05060	5.2
128.02498	3.7
128.03430	55.9
135.05537	6.9
137.07108	2.2
141.06602	8.6
143.04532	86.9
145.06097	3.5
146.04507	6.4
153.06580	4.2
160.00653	23.0
166.09840	4.2
167.04553	5.2
167.08217	2.9
177.03333	9.3
179.04579	17.4
181.06140	3.0
185.05583	3.3
192.07675	2.2
197.05673	3.7
210.08806	16.1
231.04341	2.2
254.07816	26.6
272.08911	34.7
272.11664	3.1
273.09207	2.5
288.06528	10.0
298.27750	1.8
306.07663	100.0
307.07956	6.5
307.45294	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	404.138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31125	0.3
51.27411	0.4
53.84529	0.3
66.00839	0.6
68.02406	9.1
70.02898	1.7
72.49704	0.3
83.01121	0.7
95.01140	0.4
111.04407	1.1
124.01456	0.5
125.02217	2.3
125.07098	1.1
126.05572	0.4
126.57269	0.4
126.99454	100.0
127.99805	3.4
134.68481	0.4
136.08722	0.7
147.04311	0.6
152.08177	3.5
162.06628	1.9
164.08185	4.0
165.05342	0.9
165.06619	0.5
166.09782	0.9
180.07703	39.5
181.08044	1.5
237.02620	0.4
263.49417	0.4
276.13516	2.2
288.17386	0.4
306.44241	0.5
335.52789	0.4
404.13876	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	0.3
63.39557	0.2
66.00819	1.0
67.01646	0.4
68.02406	3.5
77.51875	0.2
83.01115	2.8
83.04901	0.3
83.26215	0.2
91.01777	0.3
95.01150	0.6
101.05967	0.2
111.04430	0.2
124.01425	0.3
125.02186	1.2
125.07095	6.7
125.08012	0.3
126.99452	66.8
127.99776	2.1
136.08667	0.5
152.08206	2.5
153.06609	0.8
162.06694	0.8
163.07411	0.6
165.05307	0.5
171.13554	0.2
180.07698	100.0
181.08051	4.2
185.02438	0.2
192.07718	0.4
234.97025	0.2
250.06393	0.2
264.13486	1.4
276.13550	0.6
334.12640	0.2
404.13760	5.8
405.13962	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74291	0.4
59.01240	1.4
61.98717	0.5
66.00854	0.4
68.02413	6.8
72.99168	0.4
79.95586	0.7
80.96402	0.5
81.03199	0.4
83.01151	0.9
84.01878	0.4
93.03358	0.4
95.95065	0.5
96.95887	3.3
97.02849	0.4
97.72659	0.3
98.19766	0.9
111.04400	1.1
124.01368	0.6
125.02199	2.4
125.07106	1.1
126.99458	100.0
127.99808	2.6
134.03516	0.4
134.07111	0.4
136.08623	0.8
148.05087	0.4
152.08211	3.0
156.05132	0.4
162.06633	1.6
164.08185	4.6
166.09792	1.3
180.07706	43.2
181.08028	1.8
192.07780	0.8
203.63725	0.4
260.10471	0.4
276.13589	1.9
404.13895	1.4
404.18301	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	404.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	0.7
59.01256	9.4
61.72118	0.6
61.98703	1.3
63.45891	0.6
67.16126	0.6
69.30447	5.8
69.30865	1.1
71.01260	6.2
72.99174	0.5
73.02818	0.9
74.28613	0.7
79.95609	0.9
80.96417	0.8
83.01260	1.0
85.02841	3.8
85.06439	0.6
87.00719	0.7
88.82102	0.6
89.02316	4.9
92.04935	37.1
93.03306	0.7
93.05283	1.6
96.95899	1.9
98.20154	3.3
99.00825	0.7
100.02662	0.6
100.22216	0.6
101.02333	3.6
113.02341	2.0
116.04942	2.1
119.03388	1.3
125.22346	0.7
136.03946	100.0
137.04294	3.8
181.15912	0.7
199.13321	2.5
218.82771	0.6
225.14999	1.5
242.08455	0.7
405.06076	1.0
405.15930	1.4
405.21252	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.3
61.98693	1.4
66.00835	1.1
68.02411	7.3
71.57117	0.9
83.01131	2.2
98.56310	0.6
101.05982	0.7
125.02187	0.6
125.07088	7.7
126.99455	71.4
127.99809	2.8
137.66866	0.6
152.08170	2.3
162.06609	0.8
165.05276	0.8
166.09811	1.1
180.07709	100.0
181.08072	4.6
181.37395	0.6
258.77451	0.6
264.13495	1.9
323.16730	0.6
404.13852	6.6
405.26712	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67498	0.6
56.72782	0.6
61.74553	0.7
61.98705	100.0
64.60261	0.7
69.75349	0.5
71.19862	1.3
86.61269	0.6
87.32922	0.8
131.39960	0.8
140.95511	0.6
147.99748	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03294	1.1
59.01250	9.3
61.74888	1.1
64.18274	0.8
71.01276	2.3
71.18982	1.7
71.19301	0.9
74.17634	0.9
78.95776	3.9
85.90485	0.9
89.02328	2.9
91.03889	18.0
99.08051	5.5
122.14664	1.0
123.23343	0.9
125.09615	1.7
127.11192	3.4
133.04965	1.8
139.11211	6.1
152.99435	2.7
165.12698	1.1
171.10193	17.1
172.10464	1.5
183.13853	3.6
193.12311	2.3
211.13356	24.2
212.13763	1.3
229.14436	17.6
245.87256	1.1
293.18469	1.0
293.21463	1.8
311.22275	10.7
329.23315	100.0
330.23718	7.8
337.17633	1.0
369.20007	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	403.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.5
59.01249	13.1
61.98695	1.0
70.45590	0.8
70.87724	1.8
70.88041	1.0
71.01256	2.6
71.04911	0.9
72.23854	1.0
78.95774	6.9
89.02314	4.5
91.03883	18.5
99.08047	6.5
113.66239	0.9
125.09671	1.2
127.11205	3.3
132.93344	0.9
139.11183	6.0
152.99503	13.6
157.12212	1.3
167.14343	1.2
171.10204	19.7
183.13849	4.4
193.12311	2.9
201.11118	1.1
209.11740	2.2
209.94647	0.9
211.13335	29.8
212.13699	1.4
225.01526	1.2
229.14403	19.0
230.14742	1.2
270.00568	1.0
293.21271	2.3
311.22293	8.9
327.21777	4.4
329.23325	100.0
330.23621	8.3
402.88226	1.3
403.14267	2.7
403.23227	2.2
418.59915	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66828	1.0
59.01254	100.0
69.79539	5.8
74.78002	1.2
78.95780	33.9
79.95615	3.8
96.95902	8.4
96.96854	3.2
97.89545	1.0
150.97949	1.3
151.16269	1.2
152.99498	58.8
153.99760	1.0
157.29575	1.0
160.74220	1.2
171.00558	7.8
256.55753	1.0
275.70627	1.1
277.21198	1.2
311.22116	1.5
367.15756	1.6
403.13437	1.4
403.18332	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	403.27
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00462	1.9
59.01254	6.4
70.54170	2.3
70.54569	3.2
78.95787	10.8
91.03881	3.2
96.96819	1.1
99.08029	6.5
121.02842	2.3
125.09618	1.3
127.07570	1.6
129.09103	6.3
152.99513	15.0
155.10672	1.3
160.84061	1.3
164.07066	1.6
169.12219	5.5
171.10159	2.3
177.68909	1.2
181.12251	4.2
183.13857	2.1
193.12224	1.9
197.11703	3.9
199.13326	14.9
201.11269	1.9
211.13379	12.1
211.81837	1.3
221.94789	1.2
223.13356	3.0
229.14520	1.5
237.14989	2.7
239.16415	1.6
293.21173	3.3
311.22284	32.9
312.22769	3.5
327.21637	3.8
329.23318	100.0
330.23730	8.8
403.14087	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	403.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18387	0.2
59.01250	100.0
60.01594	1.1
69.35548	0.7
69.35973	1.8
71.01272	0.9
85.02845	0.8
88.32742	0.2
89.02316	0.3
96.95889	0.3
101.02350	0.6
105.79533	0.3
107.56488	0.2
113.02391	0.3
152.07251	0.3
178.42621	0.3
209.16989	0.2
266.14017	0.4
283.10941	0.6
329.23376	0.4
369.20007	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
71.13319	20.9
78.95795	78.2
97.37482	14.1
107.17416	15.2
113.72720	15.1
152.99489	100.0
186.69566	17.7
353.85040	15.6
422.19592	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	403.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90676	21.6
53.11931	28.3
54.16216	22.8
59.01247	82.2
59.69798	23.2
60.40546	24.7
68.02413	26.4
69.76069	100.0
70.21407	27.8
90.67345	23.8
96.95908	50.5
98.19844	52.8
98.20486	48.3
104.53687	26.6
123.88860	26.5
126.99460	61.3
133.02791	31.5
143.79489	25.5
152.99506	45.3
188.43181	22.8
192.04176	79.9
294.90024	28.8
322.36383	24.3
365.14157	34.9
403.11737	46.7
403.18655	27.3
403.24762	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	403.1764
Annotation	Cochliomycin A
Peak:m/z	Relative Intensity
55.61227	0.6
55.77793	0.5
59.01252	6.2
61.98664	0.6
62.35030	0.5
63.41257	0.6
70.81348	0.9
70.81660	1.0
71.01267	2.8
79.95620	0.9
81.03306	0.8
87.96195	0.6
89.02312	2.0
93.03347	3.9
95.04903	1.3
96.95910	3.1
97.99960	1.1
101.02325	1.4
108.02045	2.9
109.02127	1.1
109.02844	17.6
109.06490	1.0
119.03394	1.2
121.02850	4.4
122.03660	3.5
123.04450	0.9
124.01580	0.6
124.35362	0.7
130.04019	0.7
132.02017	0.7
133.02872	1.2
134.03609	1.5
135.04404	2.1
137.02325	2.1
145.02841	0.7
146.03632	3.0
147.04358	1.0
154.02628	1.1
158.03682	0.8
159.04462	4.5
160.01588	1.5
161.02301	1.3
161.05972	1.9
161.13246	2.9
167.53625	0.7
171.04437	0.8
172.05261	5.1
173.05959	2.9
174.03160	4.9
174.06790	1.1
175.03894	2.4
176.04634	0.7
177.12740	1.9
185.05965	2.7
186.06790	1.4
187.03957	10.5
187.07558	6.7
187.11232	0.7
192.04181	1.9
197.06052	2.7
198.06818	3.0
199.03918	1.6
199.07631	1.8
200.04695	5.1
200.08426	1.4
201.05502	3.2
201.09169	0.8
202.02643	2.5
202.06163	0.8
203.03435	0.6
203.10748	1.1
205.12283	28.7
206.12660	1.7
211.07588	2.3
213.05614	2.9
213.09152	1.0
215.07072	7.2
217.05090	1.4
221.11729	1.8
223.13333	2.6
227.03593	0.6
228.04338	0.8
231.02962	2.2
231.10141	0.8
237.14955	2.0
245.04622	0.7
249.11302	7.7
281.13846	6.3
282.14313	0.9
291.08118	0.6
297.14935	2.7
299.16693	0.9
307.13306	1.2
309.14960	5.5
311.16501	0.8
315.15942	1.9
325.14636	4.5
326.15118	2.4
327.15979	2.3
329.13812	0.6
341.17892	0.8
343.15509	2.8
344.16287	4.8
353.13925	3.1
359.18814	2.0
371.15030	8.7
375.17963	1.0
385.16547	10.7
386.16760	1.5
388.15485	1.1
403.17615	100.0
404.17969	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	403.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58461	1.1
55.01749	1.3
58.00469	2.9
59.01254	74.7
59.98392	1.2
61.48291	1.1
67.68965	1.0
68.18929	1.0
69.95510	5.9
71.01257	44.1
72.01601	1.1
72.99170	2.5
73.02842	1.1
73.90981	1.1
79.12684	0.9
83.01266	1.3
85.02830	9.0
86.51268	1.3
87.00730	1.2
89.02322	57.0
95.01270	2.6
98.84285	1.1
99.04391	5.5
101.02325	23.2
110.95053	0.9
111.40283	1.2
113.02339	15.2
119.03394	20.0
124.05206	2.8
131.03413	2.3
135.11713	5.3
140.22008	1.1
143.03339	3.2
149.04497	1.3
161.04463	3.1
161.09645	4.3
179.05469	4.4
179.10709	48.0
180.11095	2.5
223.09718	100.0
224.09970	4.6
241.10748	1.6
287.60883	1.1
403.16083	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	403.161
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
57.03327	4.1
59.01254	95.3
66.12254	1.5
69.48228	13.1
71.01250	19.6
72.99237	1.3
73.02827	1.9
83.01228	1.9
83.04910	2.5
85.02832	4.1
87.00740	2.0
89.02325	15.0
98.19750	1.4
99.04392	5.7
101.02338	8.9
113.02319	7.6
119.03416	5.0
119.08524	2.6
133.10068	2.0
135.11751	3.4
137.09631	4.2
161.09633	3.7
169.48238	1.8
177.03172	1.7
179.10748	12.5
181.08655	13.4
197.09969	3.0
197.11774	50.2
223.09721	21.6
241.10794	100.0
242.11096	4.8
283.11841	3.1
382.83893	1.6
403.15915	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	403.161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69630	1.1
58.00470	3.5
59.01253	80.9
59.45985	1.2
67.05385	1.4
68.82698	1.2
70.91555	3.7
71.01257	40.0
72.01558	1.3
72.99194	3.5
73.66813	1.3
77.66238	1.2
83.01280	2.4
85.02827	6.5
89.02320	51.5
95.01272	2.8
99.04401	5.5
101.02332	20.6
111.04424	1.6
113.02338	15.0
116.84784	1.3
119.03394	20.4
124.05208	2.0
131.03401	1.4
135.11696	4.3
143.03421	2.8
150.88716	1.2
153.35536	1.3
161.04451	1.7
161.09654	1.5
179.05522	4.8
179.09105	2.5
179.10706	49.6
180.11049	1.8
193.68321	1.2
223.09708	100.0
224.10037	4.6
258.73080	1.4
329.97302	1.3
353.31329	1.5
358.28079	1.4
389.38412	1.4
403.15948	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	403.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19933	0.6
59.01250	1.7
61.98706	0.6
62.03036	0.6
65.77150	0.6
69.23661	2.2
69.24088	4.9
71.01227	0.7
78.95779	78.3
82.39399	0.7
91.03857	1.0
96.95912	0.8
96.96844	6.4
98.19747	1.2
99.08039	1.7
119.67458	0.6
120.47693	0.7
121.02841	0.7
125.09679	0.8
129.09088	1.5
139.11176	0.6
139.75648	0.6
150.97896	1.3
152.99496	100.0
153.99883	1.3
171.00551	2.8
171.10173	2.6
171.86641	0.6
185.11870	1.2
197.11824	1.3
199.13348	1.2
201.11308	0.7
211.13388	2.0
229.14461	0.9
233.18082	0.8
245.02510	1.7
249.15080	0.7
293.21210	1.7
311.22275	4.2
329.23315	29.0
329.27292	1.4
330.23676	1.5
403.15170	10.3
403.19986	1.0
404.15814	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99343	0.2
59.01260	1.4
59.59890	0.2
60.63929	0.2
61.32359	0.2
62.00958	0.2
62.96270	0.3
69.03355	0.4
70.32601	0.4
70.33004	0.6
71.26447	0.2
75.00750	0.3
78.95779	55.1
79.95615	0.3
80.91192	0.2
81.76980	0.2
82.70673	0.2
91.03892	0.3
96.95897	0.3
96.96849	7.2
99.08035	0.6
121.02844	1.0
122.03146	0.4
124.30692	0.2
129.09108	0.8
129.98940	0.2
138.98335	0.2
150.97939	1.8
152.99496	100.0
153.99869	1.1
163.07979	0.2
169.12270	0.4
171.00557	5.3
181.12279	0.8
197.11829	0.4
199.13344	1.9
201.76514	0.3
211.13339	1.4
225.73787	0.3
249.14995	0.5
265.62891	0.3
293.21417	0.6
311.22284	3.8
315.07574	0.3
324.93271	0.3
329.23328	9.9
330.23746	0.7
403.09805	0.4
403.15057	5.7
403.23560	0.5
404.15567	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.5
57.03325	1.3
58.00467	5.1
59.01248	100.0
60.01588	1.2
68.95920	0.3
71.01250	79.3
72.01588	1.0
72.99181	7.7
73.02816	2.4
75.00739	0.5
75.19181	0.3
79.95624	0.4
82.21951	0.3
83.01265	3.2
84.02036	0.7
85.02821	15.1
86.03165	0.4
87.00747	5.3
89.02313	93.5
90.02644	1.7
92.04939	0.8
95.01259	4.7
97.02850	0.3
99.00757	1.2
99.04420	0.4
101.02318	42.0
102.02679	0.9
109.02808	0.5
113.02327	30.9
114.02656	0.9
119.03382	36.2
120.03702	0.9
121.02821	0.4
125.02338	1.0
126.99451	33.2
127.99729	0.8
130.94624	0.3
131.03392	3.7
136.03967	2.1
137.02298	0.4
139.00244	0.6
143.02534	0.3
143.03427	4.1
149.04463	3.0
159.02907	0.4
161.04468	4.4
179.04048	0.6
179.05515	5.8
211.05261	2.4
211.17821	0.3
241.06503	1.6
241.08479	0.7
313.08420	0.5
327.08783	0.5
403.11435	1.5
403.17200	0.3
404.12967	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60996	0.8
57.82846	0.9
57.83146	0.8
59.00985	0.8
59.01243	5.6
69.40954	7.8
71.01236	2.2
80.04917	2.7
85.02829	2.3
87.00733	1.0
87.76955	0.9
89.02306	2.5
95.04893	1.6
96.95881	1.2
98.19772	1.1
101.02323	1.8
104.04931	1.5
107.03602	1.2
108.04474	1.3
110.70394	0.8
113.02304	1.5
116.04913	0.9
119.03403	1.6
120.04434	1.1
122.06014	13.1
123.06383	1.1
124.07564	2.2
130.02885	2.3
132.04445	18.1
133.04901	1.9
146.02371	1.5
146.05898	1.0
147.03166	4.9
148.03859	2.3
150.05481	4.0
152.07051	5.8
158.02357	6.7
160.03934	11.8
161.04678	2.9
162.05479	3.1
174.05510	1.2
176.03445	12.3
176.07036	3.0
183.09256	2.2
184.07590	2.7
190.05017	17.0
196.11273	2.0
198.04230	1.7
198.09262	1.1
206.04448	5.2
209.07129	1.7
211.06502	1.2
211.08563	1.8
211.12279	6.9
212.05840	3.6
212.10713	3.6
213.06639	2.0
213.10298	1.8
215.11829	5.2
220.02562	1.4
223.08533	4.9
223.13297	1.4
224.07315	1.4
224.09445	13.7
225.06393	1.7
225.08099	1.9
225.09952	1.6
226.07318	4.3
227.08153	5.7
234.04045	1.6
236.05893	1.1
237.10265	1.3
238.08878	1.4
239.04510	1.9
239.08138	3.6
239.11850	29.6
240.10477	7.9
240.12364	1.8
241.09718	12.2
250.07326	2.2
252.05406	1.8
253.06146	26.0
253.09082	1.7
253.09918	2.3
254.03587	0.9
254.06679	3.9
255.07719	3.3
255.11375	8.9
256.08386	2.0
259.79474	0.9
265.09769	2.6
266.06970	1.0
267.07639	8.4
268.08496	13.1
271.07202	1.4
281.09280	7.3
283.10876	78.9
284.11172	6.6
294.06461	1.3
309.05377	1.8
309.08777	23.9
310.09164	2.8
315.13260	2.5
322.59515	1.0
327.09851	91.0
328.10178	6.9
333.79440	1.0
341.11414	2.4
353.07803	4.9
359.12387	3.0
366.06473	1.0
371.08795	100.0
372.09116	10.7
403.11362	43.7
403.19986	1.9
404.11688	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	403.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	9.6
61.01643	1.5
61.98697	1.6
71.01239	5.0
75.00737	1.5
78.95747	1.8
79.61845	1.4
82.57621	1.4
83.00668	1.4
83.01246	1.9
85.02811	3.4
89.02299	3.5
99.00809	1.5
104.04949	1.9
108.04448	1.7
110.47351	1.4
113.02321	1.8
120.04434	2.1
122.06014	10.2
124.07638	1.9
130.02919	2.5
132.04456	21.2
146.02365	2.4
146.06038	1.9
147.03104	3.0
148.03955	3.0
150.05486	5.7
158.02357	6.3
160.03952	10.0
161.04568	1.7
162.05510	4.8
174.01891	1.7
174.05524	2.4
176.03477	13.8
176.07068	4.0
183.09265	2.2
184.06151	2.2
187.31151	1.6
190.05028	23.2
191.02043	2.6
196.11278	1.9
198.04112	1.9
209.07124	4.6
211.12114	2.8
212.05736	4.8
212.10748	3.3
215.11917	7.0
220.02431	3.1
223.08687	5.0
224.07329	2.9
224.09431	18.0
226.07465	5.0
227.08136	6.0
234.04031	2.3
235.04774	2.5
238.08582	1.8
239.04665	1.6
239.08134	3.6
239.11858	30.5
240.10158	6.4
240.12375	1.7
241.09741	13.1
250.07452	1.9
252.05450	1.9
253.06180	26.7
253.09012	2.1
253.09889	2.1
254.06557	2.7
255.07719	4.1
255.11295	8.5
265.09760	4.3
267.03574	1.7
267.07666	9.1
268.08563	12.2
269.13538	1.5
281.09351	7.5
283.10873	80.6
284.11279	7.4
289.17706	1.7
309.08829	19.7
310.09073	1.6
315.13437	1.7
327.09857	100.0
328.10251	10.0
341.11310	3.8
353.07428	4.2
359.12326	3.2
371.08817	79.5
372.09094	8.7
403.11343	52.4
403.19327	2.5
404.11667	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	403.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	8.5
60.06533	1.8
67.01785	2.1
71.01262	2.9
71.57076	3.2
72.99178	7.1
74.02315	2.1
79.42194	2.0
83.01236	2.8
85.02814	18.6
89.02335	3.0
89.03416	2.5
94.52653	1.9
101.02280	3.9
102.05478	7.5
109.02795	3.0
109.07291	2.4
111.00761	100.0
121.02845	4.6
123.00706	2.5
123.04422	5.7
128.03419	3.4
129.01843	4.9
131.08133	2.6
137.02374	3.2
143.04527	6.8
153.59296	2.2
154.99789	13.5
167.03386	7.7
173.00832	44.4
174.03001	2.0
191.01891	17.4
209.02950	3.0
212.60825	2.0
229.03543	3.1
232.28830	2.2
254.07800	4.7
288.06717	2.2
306.07623	6.9
403.16101	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	403.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84838	1.7
57.03330	2.1
59.01244	6.6
67.01756	4.5
70.57836	1.7
71.01254	5.9
71.32262	4.0
72.99157	10.4
73.02834	4.2
75.00733	3.7
82.87343	2.1
83.01243	2.1
85.02827	29.4
87.70896	1.9
89.02306	3.6
93.03332	5.5
95.01262	2.8
99.00758	2.3
101.02309	5.1
102.05481	6.9
109.02850	2.9
111.00764	100.0
111.04362	2.1
113.02337	2.3
117.01819	2.4
121.02853	5.4
123.04403	6.0
125.02321	3.3
127.05066	4.5
128.03435	2.7
129.01828	7.1
137.02362	6.2
139.03905	3.0
149.02350	4.9
153.47328	2.1
154.99777	17.4
158.06038	2.0
165.81186	2.1
167.03413	6.6
168.04211	2.6
173.00833	47.4
174.01160	2.6
191.01901	25.9
193.41475	1.9
209.02985	19.7
214.23856	2.0
251.36867	1.7
283.88422	1.9
403.11469	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	403.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08448	1.6
59.01255	8.4
67.01757	4.0
69.85523	7.0
69.85961	3.1
71.01266	2.5
72.99189	8.9
73.02829	3.0
75.00746	6.9
83.01257	3.1
83.06254	1.6
85.02823	20.8
89.02316	2.7
93.03304	3.3
95.01281	2.0
101.02317	3.5
104.03466	1.5
111.00766	100.0
112.01103	4.0
119.03368	1.8
121.02835	2.6
123.00738	2.3
123.04407	6.0
123.81541	1.6
128.03456	2.6
129.01830	5.8
133.04953	7.0
134.05292	2.4
135.05400	3.3
137.02342	6.1
139.03891	1.7
143.04538	2.3
149.02324	4.5
151.03914	2.4
153.00053	16.7
154.99765	15.6
167.03400	7.0
173.00818	42.4
181.08681	1.7
188.00339	1.7
191.01906	17.3
195.06586	1.7
209.02928	2.0
241.07066	2.6
241.89027	1.6
270.90723	1.7
306.07703	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	401.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77114	2.3
59.01254	100.0
71.18804	4.7
77.20866	2.1
103.91946	2.5
121.02850	43.6
124.89134	2.0
137.32394	2.4
152.54961	2.4
162.53619	2.0
180.05576	2.2
190.35011	2.6
313.07092	12.4
357.06140	5.3
401.08844	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	401.3059
Annotation	Androsterone Enanthate
Peak:m/z	Relative Intensity
53.43039	0.3
59.01239	1.1
60.86027	0.3
64.79964	0.3
69.34805	0.3
71.01250	0.5
71.56824	0.3
89.02268	0.4
101.02325	0.3
104.36026	0.3
112.83930	0.3
121.02828	1.8
133.04958	0.7
225.46657	0.3
236.24551	0.4
269.10333	0.4
332.32077	0.3
332.36700	0.3
401.30585	100.0
402.30917	13.1
402.36246	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23456	1.3
57.03317	2.6
57.08797	1.2
58.00479	1.8
59.01251	6.5
69.50987	7.2
69.51398	2.7
71.01284	1.7
78.95778	1.6
83.04900	1.6
85.02846	1.3
89.02321	1.8
91.03906	6.5
93.03322	1.6
97.06477	2.3
99.21569	1.3
111.08046	10.5
121.02843	6.2
152.99493	1.3
153.12750	1.7
169.12245	6.2
171.10185	3.1
177.05594	1.2
177.50294	1.2
183.13792	1.8
195.13734	1.4
197.11766	44.2
198.12096	1.4
199.13345	4.4
201.11275	1.9
209.11783	2.3
209.15515	2.2
211.13365	6.3
221.15497	2.2
239.12866	1.6
239.16483	14.1
251.16531	4.2
263.19992	1.7
285.05923	1.3
291.19720	9.0
309.20673	32.1
310.20996	2.5
327.21756	100.0
328.22159	9.4
329.96078	1.2
401.09689	2.0
401.14368	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	401.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07890	0.9
57.03340	2.3
58.00460	2.4
58.81480	0.9
59.01249	9.3
59.47477	1.0
60.20279	0.9
66.52516	1.0
69.03339	1.4
69.45795	9.3
71.01287	2.8
71.04889	1.6
83.04901	1.1
85.02843	1.6
89.02332	1.4
91.03903	5.7
93.03331	1.0
97.06511	2.8
98.19781	1.3
99.63340	1.0
109.02845	1.1
109.06480	1.2
111.08052	12.1
121.02854	5.6
125.09618	1.0
137.09660	1.5
169.12279	4.2
169.72894	0.9
170.18967	1.0
171.10216	5.5
171.22113	0.8
181.06500	1.6
181.12193	1.7
183.13834	2.3
185.11758	4.5
191.07942	1.0
195.13885	2.4
195.59438	1.0
197.11769	47.3
198.12074	2.7
199.13338	7.1
201.11298	2.3
209.11783	3.3
209.15399	7.2
211.13326	7.0
221.11829	2.4
221.15477	1.1
223.11908	1.0
223.17020	4.5
225.05542	1.3
227.12889	1.0
233.15408	2.3
239.12889	1.8
239.16486	4.3
245.02695	1.2
251.16515	17.8
252.16957	1.5
263.20166	1.4
267.16150	1.4
273.18582	1.6
285.05667	1.6
291.19666	11.2
292.19949	1.4
309.20724	43.3
310.21072	4.2
327.21771	100.0
328.22162	12.1
371.13071	1.9
401.08746	2.6
401.14191	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	401.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03625	1.0
57.03328	2.6
59.01256	6.4
61.85525	1.0
64.89159	1.1
69.03314	1.8
69.30552	2.7
69.30961	8.1
71.01254	3.9
72.99139	1.1
73.52096	1.1
78.95757	1.1
83.04907	1.6
85.02830	9.4
89.02334	3.0
91.03887	17.9
93.03326	1.2
95.04946	1.4
97.02879	1.5
97.06480	4.2
113.05975	2.3
121.02843	16.9
124.34106	1.1
127.11223	1.3
137.09663	3.5
171.10202	19.0
183.13844	8.0
201.11275	1.6
209.11787	1.1
211.13318	17.2
212.13770	1.2
229.14404	7.0
234.34819	1.2
291.19632	4.9
292.20035	1.6
309.20746	11.2
310.21017	1.4
313.07214	5.5
327.21762	100.0
328.22089	10.2
390.91205	1.1
401.08801	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	401.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57714	1.3
57.03319	2.6
59.01244	6.8
69.03336	2.5
70.92443	2.5
71.01238	2.5
85.02829	10.5
89.02318	3.7
90.49531	1.2
91.03879	18.2
97.02843	3.0
97.06461	4.2
119.83823	1.4
121.02831	1.7
125.09644	1.7
127.11194	1.5
131.14354	1.5
137.09613	4.2
171.10188	27.9
183.13811	4.1
198.59007	1.3
201.11241	3.2
209.11722	2.5
211.13290	16.7
212.13641	1.6
221.11714	1.8
229.14436	12.0
239.12906	2.7
291.19598	6.9
309.20621	8.2
327.21759	100.0
328.22180	8.2
341.77985	1.4
421.75388	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	401.2329
Annotation	Macrolactin K
Peak:m/z	Relative Intensity
57.03318	0.5
59.01258	3.2
71.01253	1.0
71.56866	0.7
79.95636	0.5
83.04888	0.9
92.91878	0.6
93.03347	1.6
97.02818	0.7
101.78474	0.4
103.91882	0.8
111.04388	1.6
121.02847	6.4
122.89322	3.4
126.99464	0.5
134.61380	0.4
204.97159	1.0
218.98866	0.5
231.02119	0.6
233.19077	1.8
243.02452	1.0
249.35786	0.5
251.20137	46.4
252.20465	4.0
255.02333	1.1
257.04074	2.0
259.16989	1.6
275.01376	0.9
277.18076	10.5
277.20956	0.9
278.18384	1.1
287.01462	6.5
295.19128	100.0
296.19507	8.3
301.02988	13.6
302.03253	0.9
313.07159	1.6
357.06232	0.7
357.24179	0.6
401.12573	4.1
401.23273	45.5
402.23581	6.0
403.06467	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01579	1.8
69.82482	3.9
69.82911	1.1
71.01264	1.1
87.00763	0.8
93.56088	0.8
121.02825	9.9
122.03218	0.8
169.23637	0.9
171.10173	1.9
271.13098	0.9
294.96826	0.7
308.76727	0.8
313.07172	2.5
325.14459	0.9
327.21756	5.3
357.06146	0.8
357.16898	1.3
401.08759	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	401.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	3.3
59.01255	10.6
69.03362	1.5
69.31833	3.4
69.32256	8.4
71.01244	5.0
71.64274	1.2
72.99168	1.3
73.02821	2.1
75.00734	1.4
78.95808	2.1
85.02829	9.9
85.06446	1.3
89.02313	4.3
90.84580	1.0
91.03885	14.4
93.03312	1.6
97.02773	1.1
97.06474	3.2
101.02336	1.3
116.92690	1.3
121.02851	100.0
122.03196	3.6
127.11133	2.1
137.09631	2.7
142.46338	1.2
147.04367	2.6
152.99519	2.5
159.10759	1.2
171.10176	12.5
181.06479	7.0
183.10242	1.4
183.13820	10.4
186.98163	1.5
211.13350	9.5
213.05421	4.4
225.05502	6.1
229.14484	3.0
239.16228	1.9
251.16461	2.4
265.18073	4.7
283.19153	11.7
291.19666	3.2
309.20596	7.5
313.07144	30.6
314.07498	3.0
325.20279	1.8
327.21765	77.9
328.22205	6.4
329.11652	2.5
342.08881	4.4
357.06183	7.8
383.20203	1.6
401.08905	23.2
401.13986	3.3
401.21747	11.8
402.09409	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	401.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	13.1
65.32722	5.3
71.57898	6.9
108.89838	9.2
121.01974	6.3
121.02840	100.0
134.15894	4.7
158.05981	14.9
225.05533	7.7
303.02747	12.9
313.07260	31.9
340.16245	6.1
357.05945	13.8
385.48901	5.5
401.08737	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	13.1
65.32722	5.3
71.57898	6.9
108.89838	9.2
121.01974	6.3
121.02840	100.0
134.15894	4.7
158.05981	14.9
225.05533	7.7
303.02747	12.9
313.07260	31.9
340.16245	6.1
357.05945	13.8
385.48901	5.5
401.08737	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41256	0.7
55.01753	1.4
57.03319	2.4
58.00460	5.2
59.01248	100.0
60.01585	1.2
69.03323	0.9
69.86761	2.4
69.87153	1.3
71.01251	66.9
72.99178	22.9
73.02826	3.2
75.00740	10.9
78.52536	0.7
83.01267	2.3
84.02050	0.8
85.02821	16.7
87.00754	3.6
89.02313	70.2
90.02618	0.8
95.01273	3.4
101.02320	35.0
102.99287	0.8
103.37176	0.7
111.00759	2.8
113.02323	23.8
119.03382	28.0
120.03741	1.1
123.04444	1.4
126.97852	0.8
128.39526	0.7
131.03400	2.0
133.04959	98.6
134.05304	2.7
143.03438	2.9
149.04436	1.9
151.07547	1.5
152.94849	0.7
153.09105	1.7
161.04468	2.5
161.09633	1.3
164.08298	1.1
164.71107	0.8
170.05777	2.0
173.00862	1.3
178.09843	0.9
179.05539	5.4
187.07523	1.6
191.01875	1.5
197.29424	0.8
203.10693	4.9
205.36380	0.8
206.09363	7.4
209.02956	1.1
221.11758	7.6
222.12082	0.8
239.09160	1.0
239.12849	0.9
258.60269	0.7
267.69009	0.8
282.74823	0.9
306.84610	0.9
312.54758	0.8
401.18109	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54021	0.4
59.01251	100.0
60.01596	1.2
69.98904	0.5
71.01250	1.2
73.02818	0.7
78.95751	2.4
80.87535	0.4
83.01274	0.4
85.02807	0.5
89.02312	0.5
95.88004	0.5
96.95920	0.4
96.96841	0.6
98.19827	1.2
101.02322	1.1
119.24261	0.4
146.03419	0.5
153.34682	0.5
180.91055	0.5
307.15610	0.5
325.11969	0.7
327.21939	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85501	0.5
53.90096	0.6
59.01250	2.1
70.40157	1.5
71.00837	0.5
71.01243	1.2
75.00754	0.7
78.95779	13.7
80.94705	0.6
81.94537	0.6
84.19609	0.5
95.08974	0.6
96.96850	1.0
113.02314	0.6
115.76193	0.6
121.02847	1.0
126.41373	0.5
127.11189	5.9
130.08623	0.8
135.04466	1.0
152.99496	24.8
155.10757	0.7
171.00574	1.2
171.10147	0.9
173.11754	100.0
174.12077	4.7
215.12883	0.6
227.03180	3.6
245.04245	0.9
258.50168	0.6
309.11066	1.0
335.11365	0.7
401.15799	40.1
402.16397	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	401.1603
Annotation	Kadsuralignan A
Peak:m/z	Relative Intensity
57.03325	0.6
59.01249	4.8
61.74005	0.4
69.01689	0.4
69.25484	4.3
69.25895	0.6
71.01245	1.9
79.95609	0.7
83.04887	0.5
85.02828	1.1
89.02332	1.3
91.03885	2.0
93.03323	0.8
96.95893	8.2
98.03586	0.5
98.19840	0.9
99.08064	0.7
101.02314	0.8
106.84144	0.4
119.61067	0.5
121.02843	14.0
149.27571	0.4
161.02312	0.9
165.12737	0.9
168.11455	0.5
171.10172	1.2
172.05144	0.9
175.03909	1.0
181.06534	1.1
183.13802	0.7
185.06007	1.5
186.06793	10.8
187.03992	0.8
187.07097	1.0
189.05484	0.7
193.15868	0.7
196.05229	0.7
197.05988	3.8
197.09775	0.7
199.03909	1.1
199.07605	5.3
200.04800	0.6
200.07889	0.5
201.05478	1.0
209.06027	1.2
211.13336	1.7
212.04732	1.8
213.05565	1.1
213.09169	1.5
214.06210	0.5
215.03465	1.3
218.05783	3.2
225.05452	1.3
227.03406	1.6
227.07098	1.4
229.04933	0.8
240.04245	13.2
241.04990	8.4
241.08643	0.6
241.12263	0.8
242.05251	0.9
243.03000	0.6
243.06506	0.6
247.20702	1.0
255.13887	0.6
258.05377	0.6
269.15524	0.7
272.03299	0.5
272.06912	1.3
291.19635	8.4
295.13348	1.2
307.13477	0.9
309.10223	7.2
309.20700	5.0
313.07169	4.7
323.12830	1.1
325.14478	1.2
327.21796	3.0
339.15976	1.9
341.13904	0.8
351.12369	24.4
352.12582	3.0
357.06250	1.7
357.16849	2.7
358.27213	0.5
369.13419	18.9
370.13599	2.3
383.07724	0.7
383.14996	28.4
384.15466	2.9
401.16034	100.0
401.25195	8.0
402.09012	4.5
402.16397	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	401.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
65.75781	1.5
71.19881	4.4
91.01001	1.7
104.62249	1.8
123.06896	1.7
146.03653	21.0
153.09180	1.9
155.61307	1.9
161.05957	6.0
164.04744	15.2
179.07068	52.8
221.11909	1.7
267.09821	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	401.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49104	1.2
55.34488	1.3
59.01255	100.0
59.12186	1.1
70.92077	1.7
70.92391	1.7
71.01251	2.2
86.68453	1.1
89.02325	1.7
92.06258	1.2
101.02356	2.4
126.25771	1.2
128.77673	1.1
133.05019	1.7
146.03639	24.7
153.09047	1.6
161.06017	7.3
164.04704	16.6
165.05069	1.1
179.07065	49.9
180.07352	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	401.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00452	0.7
59.01250	100.0
60.01606	0.9
63.96973	0.6
70.86305	0.5
71.01258	4.2
71.57006	0.7
72.99178	0.5
73.02830	1.2
73.35557	0.4
75.00761	0.9
76.18503	0.5
77.88691	0.5
83.01265	0.6
85.02831	2.4
89.02324	1.6
91.77930	0.5
92.45673	0.6
101.02318	3.0
111.00784	0.8
111.05255	0.6
113.02331	1.0
119.03377	0.8
131.03394	0.7
133.04985	0.7
161.04555	0.8
170.98520	0.5
173.11066	0.5
175.80656	0.6
179.10739	0.9
193.18591	0.6
197.04602	0.7
269.33612	0.6
289.91974	0.6
314.92944	0.6
395.89734	0.8
401.18555	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38907	0.7
54.43654	0.6
57.80052	0.6
59.01251	100.0
60.01579	1.2
71.01246	3.2
71.57579	0.9
73.02818	1.7
74.32691	0.8
75.00742	1.0
77.36929	0.8
85.02840	2.0
89.02345	2.3
96.95897	0.6
101.02339	2.7
113.02354	1.3
133.04987	0.7
137.02402	0.7
161.04480	1.0
171.10213	0.7
179.10579	0.9
193.18040	0.6
230.44327	0.7
248.58296	0.8
401.18369	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	401.1452
Annotation	Benzyl alcohol beta-D-xylopyranosyl (1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.31197	1.0
55.01751	5.4
57.03321	7.1
58.00453	4.3
59.01250	74.8
66.72449	1.2
69.03340	2.2
71.01254	100.0
71.19849	2.6
71.20184	2.1
72.01566	1.6
72.98815	1.4
72.99168	7.7
73.02826	22.8
76.14358	1.3
83.01254	14.8
85.02824	50.7
87.00755	3.6
89.02319	60.4
90.02643	2.1
95.01292	3.0
96.95901	1.6
97.02814	3.5
99.00749	10.4
101.02323	65.1
102.02638	2.1
109.02798	1.6
111.00771	19.5
113.02335	29.5
115.03905	3.0
119.03385	10.1
120.24785	1.3
123.04436	2.5
125.02337	7.5
128.03398	1.8
129.01807	2.6
131.03397	20.6
137.02251	1.4
138.06863	1.5
141.54732	1.3
142.67654	1.4
143.03372	4.9
144.59946	1.5
149.04428	9.8
159.02907	3.8
161.04474	26.7
165.01831	2.3
173.00809	3.0
177.09106	1.5
179.05522	3.4
180.04294	2.1
187.07449	2.5
191.01915	1.9
191.05515	3.1
195.06448	2.3
203.10768	4.5
221.04407	1.5
221.08167	9.6
221.11697	2.3
233.06543	7.8
269.10281	48.6
270.10693	4.3
295.10300	9.9
296.10556	1.8
399.49469	1.4
401.14438	36.8
402.14914	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	401.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85974	0.2
56.99685	0.2
57.73859	0.2
59.01257	1.3
71.01262	0.6
72.99181	10.1
75.00745	7.8
85.02842	0.5
89.02313	0.6
101.02316	0.4
108.87548	0.2
111.00775	0.8
119.03423	0.2
123.04365	0.3
133.04961	100.0
134.05307	2.8
156.87749	0.2
164.01054	0.3
165.01862	0.3
173.00824	0.3
179.03343	0.2
179.07066	0.3
189.75568	0.2
195.06567	0.3
215.12634	0.2
239.09007	0.3
386.08472	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.3
59.01250	10.7
61.79554	0.7
69.32690	0.7
69.39595	2.5
69.40022	4.4
71.01242	3.1
72.99190	1.2
75.00752	0.9
75.85774	0.8
79.44179	0.8
82.02847	3.0
84.04425	1.5
85.02832	2.5
89.02306	1.1
90.05203	0.7
93.03342	1.3
96.95931	1.2
99.00756	0.8
101.02323	2.1
108.02052	14.3
109.02824	2.5
109.03958	2.2
111.00760	5.7
121.02834	1.4
123.00762	1.2
123.04410	17.6
124.01546	2.1
124.04706	1.0
125.03462	1.4
127.05022	41.9
128.03426	26.9
128.05376	1.1
129.03804	1.0
133.01491	0.8
133.04944	2.0
145.06088	39.6
146.97517	0.7
148.03905	1.5
150.05510	0.8
153.02957	2.0
154.99712	0.9
161.04453	2.4
161.09668	1.3
164.03441	58.6
165.03748	2.6
166.04962	3.9
167.03404	1.9
171.04027	8.6
173.00830	2.0
178.01392	2.5
178.05017	17.9
179.03392	4.6
179.05016	0.9
179.10677	3.4
191.01965	0.8
192.06473	0.8
206.08206	0.9
218.06921	1.1
233.09430	1.0
235.07159	1.5
236.07991	21.9
237.08336	1.4
251.10368	9.9
277.05359	1.6
277.08286	26.8
278.08771	1.4
295.09335	100.0
296.09671	7.9
306.02130	0.9
371.13458	1.5
401.13513	21.3
401.18457	1.7
402.13858	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	401.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02848	1.0
58.18971	0.6
58.87889	0.8
61.58206	0.6
70.92653	2.3
71.01248	0.9
82.02847	3.0
83.47748	0.6
83.75018	0.7
84.04411	2.7
85.02823	1.0
89.02306	0.9
91.36673	0.8
93.03332	1.4
97.03875	0.7
98.02369	0.8
101.07113	1.2
108.02054	23.7
108.79826	0.8
109.02910	3.4
109.03944	3.6
111.00771	1.5
121.98165	0.8
122.03668	0.8
123.00794	1.8
123.04407	23.8
124.01542	2.1
124.04732	0.9
125.03448	2.5
127.05024	57.0
128.03421	38.3
128.05345	1.9
129.03712	1.4
133.01601	1.3
135.04375	0.9
145.06093	52.6
146.06448	1.5
148.03912	1.7
150.05508	1.3
153.02966	2.2
164.03445	86.0
165.03784	3.1
166.05051	5.7
167.03397	4.0
171.04025	8.1
178.01476	4.1
178.05017	27.2
179.05341	1.5
192.06569	1.7
206.08145	1.4
218.06915	1.4
233.09268	2.4
234.07573	0.8
235.07187	2.5
236.07980	38.6
237.08257	3.3
251.10359	12.7
252.10796	0.9
262.05948	0.9
277.08289	33.8
278.08627	2.0
295.09338	100.0
296.09622	7.4
401.13562	19.0
401.18188	1.3
402.13885	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	401.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04695	1.5
56.35902	1.5
57.87354	1.5
59.01254	43.0
61.90634	1.4
71.01257	7.2
71.57441	1.4
72.99153	2.3
75.00748	10.0
76.52670	1.5
82.02874	1.9
84.04436	1.9
85.02808	4.9
85.03949	1.7
89.02319	2.8
93.03355	2.6
96.95844	3.1
98.20489	1.5
99.00740	2.2
101.02321	4.5
107.04896	12.4
108.02061	15.0
109.02805	4.5
111.00754	4.9
113.02335	3.8
115.00279	6.6
117.05434	2.9
119.03364	1.7
119.71033	1.7
121.02840	5.2
123.04417	36.7
124.04778	2.0
127.05027	45.5
128.03426	26.9
133.01428	2.0
133.04964	9.4
135.04416	4.7
145.06091	41.8
148.03929	2.0
153.02975	2.5
154.99911	1.9
161.04442	2.6
164.03447	59.5
165.03889	1.8
166.05035	4.0
167.03362	2.6
171.04048	8.6
171.10152	2.3
173.00819	2.8
178.01407	4.5
178.05029	19.7
179.03421	77.1
180.03761	3.6
192.06503	2.0
206.08110	1.9
233.09279	3.3
236.07977	30.0
237.22888	2.1
251.10449	12.1
272.61792	1.8
277.08273	26.1
295.09341	100.0
296.09741	6.8
307.61429	1.6
371.13437	4.7
401.13565	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69351	1.7
57.03323	6.8
59.01249	24.7
61.98697	6.2
64.13387	1.8
71.01245	14.6
71.55984	2.7
72.99162	10.6
75.00755	9.8
83.01238	4.0
84.09307	2.2
85.02821	54.5
87.00771	5.8
89.02311	17.2
100.86400	2.1
101.02325	6.6
105.01815	100.0
111.00761	13.0
113.02315	4.1
118.17553	1.8
119.03377	5.3
123.04449	3.0
129.01822	5.8
133.01311	4.7
133.04950	15.0
147.02863	5.5
148.44550	2.1
161.04504	2.5
173.00861	2.4
179.05482	4.1
191.01915	18.4
209.02928	29.6
239.09322	2.0
258.43817	1.9
341.10931	13.7
401.14484	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83223	26.0
59.01239	97.4
70.32787	100.0
70.33139	45.9
70.50652	24.5
73.53166	21.5
80.78181	24.8
83.96873	27.2
96.00780	27.8
114.01880	43.2
115.95699	24.0
117.01824	45.4
128.03386	26.6
131.04465	35.5
234.11591	26.8
323.16272	52.0
341.17163	69.8
401.19101	31.0
415.87680	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	400.2129
Annotation	Smenospongine B
Peak:m/z	Relative Intensity
59.01251	0.7
63.82188	0.4
66.54851	0.4
69.96099	1.8
71.01247	0.5
76.61762	0.4
84.10606	0.4
85.02825	1.1
86.99576	0.3
93.03337	100.0
94.03667	3.1
97.46983	0.4
115.63718	0.4
116.17588	0.4
117.49712	0.4
119.04921	0.4
121.02861	1.1
127.07559	0.6
149.88980	0.4
162.12791	0.9
164.14375	4.7
165.14575	0.4
176.14362	1.5
183.06824	0.8
184.07599	0.6
190.12302	3.8
208.13376	18.1
209.13657	1.2
220.13353	3.3
232.16969	1.1
239.09486	1.5
270.18607	1.1
276.15994	5.0
288.16040	1.5
289.16891	1.1
296.16537	9.7
297.16919	0.9
314.17621	3.8
320.20142	0.5
338.21225	8.8
339.21619	0.9
346.92105	0.4
356.22375	2.9
364.19000	0.9
382.20236	12.2
383.20593	1.7
385.59479	0.4
387.07986	0.4
400.21271	97.8
401.21631	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	399.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34732	47.5
66.37575	53.4
78.17706	47.6
86.12225	45.3
98.19741	100.0
149.42978	49.5
169.81715	48.5
184.46036	44.3
193.87309	50.3
196.67929	53.4
232.10912	49.6
239.13135	46.4
306.87589	65.2
317.08368	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	6.0
70.14758	7.6
71.01250	4.9
78.95777	27.0
85.02840	2.0
85.31429	1.7
98.20494	1.9
101.02308	3.0
120.31696	1.5
127.11201	4.2
137.34427	1.4
140.01094	6.2
145.17729	1.6
145.59712	1.7
152.99510	3.8
155.10757	1.8
159.03011	1.9
161.04420	2.3
162.59103	1.6
185.11761	10.4
196.03743	9.4
199.09525	2.0
201.11320	8.1
203.12825	100.0
204.13196	5.3
214.04807	3.6
269.10245	2.1
400.17480	40.8
400.22714	2.5
401.18341	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	399.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	7.3
59.01247	48.4
63.69786	4.5
69.03319	6.0
69.25047	50.4
71.01257	14.1
71.04881	7.4
77.32610	4.6
83.04913	15.8
89.02311	14.9
91.03880	49.7
99.04378	8.7
103.00207	4.0
109.06451	13.4
161.52827	5.2
167.10735	6.7
171.10242	5.6
185.11809	6.1
195.13875	12.4
197.11812	8.2
197.15381	4.8
207.13849	32.4
209.11890	5.8
223.13422	9.3
225.14914	46.8
237.14897	61.4
249.14873	9.7
267.15973	12.4
289.18192	35.3
307.19086	17.7
325.20181	100.0
326.20551	8.7
399.12234	9.5
399.23972	12.9
410.63474	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	399.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	8.0
59.01245	40.9
67.89288	5.2
83.04890	8.8
89.02325	10.7
91.03869	53.5
97.06464	7.1
99.04448	9.4
109.06468	7.1
147.04424	7.9
171.10175	7.8
195.13846	9.6
197.11749	9.7
202.99512	5.8
207.13815	25.6
209.11726	11.3
223.13428	9.0
225.14923	44.1
237.15031	33.4
239.16299	7.4
249.14896	19.1
267.15955	17.9
281.21280	9.9
288.38373	5.9
289.17993	26.6
296.85028	5.9
298.60049	6.0
307.19226	29.6
314.07761	7.7
325.20193	100.0
326.20563	8.7
355.20377	7.9
399.12183	11.4
399.24152	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	399.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30996	2.5
50.43727	3.2
57.03320	7.6
59.01257	40.4
69.03339	4.3
70.25674	8.5
71.01260	7.4
71.04889	6.8
74.66367	3.2
80.39286	3.2
83.04916	10.8
87.04375	3.0
89.02338	17.7
91.03887	52.3
97.06444	3.6
99.04381	6.1
106.04164	2.8
109.06457	7.7
111.04417	3.3
111.08047	2.8
167.10724	2.8
171.10165	5.8
172.47304	3.3
179.14333	3.1
181.12323	3.7
195.13803	6.8
197.11755	7.0
197.15286	3.3
201.11229	4.3
207.13852	30.7
208.14183	3.4
209.11821	5.2
211.81146	3.0
223.13330	6.9
225.14941	47.1
237.14919	44.5
249.14964	10.9
267.16034	12.1
276.70514	3.1
289.17993	36.1
307.19183	16.3
325.20206	100.0
326.20435	6.8
399.12451	9.8
399.23920	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	399.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32376	0.4
58.65089	0.4
59.01250	100.0
60.01575	0.6
69.83471	2.4
81.04453	0.4
85.02825	1.3
96.41808	0.4
111.00776	1.4
182.40396	0.4
211.13374	0.8
228.17142	0.5
399.16843	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31150	1.0
56.99316	1.0
58.27153	0.9
59.01252	100.0
60.01590	2.0
60.09311	1.0
61.01673	2.0
71.01263	1.6
71.57437	2.0
78.95783	5.7
85.02821	1.4
89.02338	1.4
93.03344	1.3
101.02316	1.3
101.27180	1.2
108.21168	1.1
152.99521	5.6
171.10155	1.7
175.45815	1.1
195.10284	1.2
201.11200	1.9
201.14975	1.6
202.15276	2.9
246.58376	1.4
249.09093	2.0
268.04025	1.2
325.20151	2.6
355.26050	2.5
378.12317	1.4
399.12256	2.1
399.24896	1.7
400.23566	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	399.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01279	1.2
58.00477	1.5
58.32598	1.3
59.01254	100.0
60.01609	1.8
68.41579	1.2
71.01247	5.5
71.44511	2.4
72.99148	1.6
73.35460	1.2
78.95769	5.4
89.02306	4.9
92.78101	1.2
96.20701	1.4
101.02332	9.8
113.02310	1.3
119.03420	7.5
121.05070	1.2
152.99500	3.6
155.56273	1.4
173.05844	1.4
189.05452	2.2
201.05605	1.7
213.05400	1.4
217.04970	2.2
219.06552	10.2
225.84383	1.3
231.06660	1.5
233.08112	1.3
243.06638	3.9
293.47452	1.3
399.13458	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	397.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01347	10.0
67.10226	8.9
69.50278	84.1
78.95775	42.1
79.95599	15.7
96.95891	90.1
130.08609	77.2
143.11783	94.4
243.12186	9.4
255.23309	26.4
266.00717	9.4
279.23190	15.9
288.47623	9.9
292.16321	9.7
299.25928	21.0
333.30612	10.3
348.01260	11.6
397.22897	100.0
397.30557	69.2
398.19861	21.8
409.15302	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51288	0.7
69.70786	5.5
73.03941	6.3
73.37891	0.8
78.95771	1.7
79.95605	9.2
95.95130	2.7
96.95887	67.7
98.20749	0.8
103.71575	0.9
122.97468	4.4
124.51624	0.8
126.09145	0.9
130.08629	68.6
131.08987	2.3
143.11801	100.0
144.12135	3.3
187.10843	4.9
226.21672	2.8
266.21274	6.2
279.23303	1.7
299.25998	5.1
353.31790	7.4
354.31989	1.0
397.22610	77.2
397.30692	93.2
398.23096	8.3
398.31033	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	397.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73790	0.4
57.03324	1.0
59.01249	2.1
65.75324	0.4
69.51537	3.0
71.01255	0.6
78.95777	20.0
80.96393	0.5
82.02845	0.4
83.04908	0.9
85.02826	0.5
86.30231	0.4
94.94437	0.4
96.96846	1.0
104.97404	0.6
110.98420	14.2
114.05472	0.7
119.04926	2.2
125.09649	1.4
127.05054	1.0
127.11155	3.7
128.03490	0.5
136.99977	0.7
139.11201	0.5
145.02875	0.9
152.99477	2.5
155.14328	0.7
165.12772	0.9
167.01073	12.2
167.14301	2.5
171.10222	3.7
183.10226	0.4
183.13805	1.5
185.02118	4.1
193.12283	0.8
201.11198	1.2
209.11780	2.5
211.13342	9.2
229.14412	100.0
230.14729	6.5
235.13249	0.4
335.19742	0.5
351.65881	0.4
397.16226	32.9
398.16553	2.8
399.18369	0.4
412.90845	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22949	8.3
59.01250	26.5
76.60500	10.8
78.95754	52.6
79.95609	30.5
80.96398	73.5
87.00752	24.3
90.11228	10.4
92.35613	10.3
95.11153	9.1
96.55371	10.0
96.95900	100.0
98.19680	19.3
134.97488	11.6
136.63243	9.6
145.52412	9.4
147.65009	9.3
152.99507	19.5
164.98590	11.6
197.11829	22.2
225.00824	11.8
229.40620	13.2
241.01259	25.0
255.23241	62.6
256.23679	18.5
288.49002	10.1
339.19858	31.0
372.23718	9.3
375.19412	41.5
375.69620	15.9
397.18320	16.3
397.23282	76.2
397.69394	26.6
398.19937	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59310	0.3
52.02495	0.2
54.26893	0.2
57.03324	0.7
57.39636	0.2
59.01247	0.6
71.01267	0.4
71.04936	0.4
71.57693	0.3
72.99203	0.2
78.95782	8.9
82.39011	0.2
83.04891	0.5
85.02845	0.7
96.95872	0.5
96.96843	1.6
101.02350	0.3
102.56130	0.2
110.98413	4.2
121.02853	0.6
125.09631	1.9
127.11172	3.4
128.66158	0.2
130.08572	0.3
152.99487	2.4
155.14299	0.8
163.11224	0.3
165.12750	0.6
167.01091	1.4
167.02342	0.3
167.14357	1.7
171.10178	2.7
172.10513	0.8
173.11765	1.7
174.14763	0.2
183.13812	1.6
185.02133	3.7
193.12280	0.9
206.16853	0.3
209.11815	2.6
210.12175	0.3
211.13344	8.1
212.13678	0.5
229.14415	100.0
230.14758	5.4
230.16869	0.5
267.10193	0.4
337.10449	0.4
369.63565	0.3
397.12277	0.7
397.16290	13.5
398.16553	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	397.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	1.5
59.01251	1.6
71.01254	0.5
71.04868	0.5
75.00706	0.3
78.95776	10.4
80.96374	0.4
83.01256	0.9
83.04909	0.4
84.02013	0.6
85.02831	1.2
89.02328	0.4
94.09247	0.3
95.04906	0.4
96.95896	0.7
96.96834	0.4
97.06462	0.6
101.02318	0.7
110.98405	3.4
114.05450	0.5
118.86029	0.4
119.03391	0.4
121.82634	0.3
125.09624	3.5
127.11182	4.0
136.05200	0.9
137.02380	0.3
141.63542	0.3
151.07567	1.8
152.99475	2.9
155.14319	1.7
165.12781	0.9
167.01077	1.1
167.14313	1.6
171.10123	0.4
175.07692	0.5
183.13773	0.4
185.02106	3.6
189.05562	0.5
191.07059	1.0
193.08594	2.4
201.11224	0.4
209.11731	1.5
211.13344	2.5
217.04976	1.0
223.13390	0.4
229.14407	100.0
230.14752	6.7
235.06125	0.6
235.09720	10.6
235.13266	0.4
236.10135	0.6
318.99942	0.3
345.82846	0.3
397.11838	1.6
397.16312	10.1
397.24243	0.5
398.16507	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88199	0.3
51.92915	0.4
57.03314	1.3
57.67119	0.3
59.01234	1.2
69.88642	0.3
71.01260	0.5
71.04892	0.4
71.57752	0.5
78.95779	5.7
83.04913	0.7
85.02814	0.9
96.95930	0.6
97.06466	0.4
110.98417	3.1
125.09630	2.5
127.11180	2.7
152.99478	1.6
155.14334	1.4
163.11195	0.4
165.12775	0.5
167.01064	1.0
167.14308	1.1
171.10219	3.5
182.46252	0.4
183.13812	0.7
185.02138	3.2
209.11806	2.5
211.13339	5.8
229.14415	100.0
230.14780	6.0
373.62598	0.4
378.78522	0.4
397.16315	12.9
398.16779	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	397.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
71.01270	0.8
71.57401	0.6
71.57869	1.3
78.95780	16.1
87.00780	0.9
93.03356	0.9
96.96843	1.7
99.92473	5.3
109.06463	1.0
115.91979	1.0
121.02864	1.7
123.08096	0.8
129.48953	0.9
133.06500	16.9
134.06868	1.1
142.99785	0.8
152.99509	19.4
171.00644	1.0
171.10274	1.1
187.96191	0.7
196.09825	0.8
211.13426	1.1
229.14459	1.7
251.16600	1.0
283.29739	0.7
287.16507	1.2
291.19592	0.8
305.17615	3.4
323.18848	1.5
365.13791	2.6
367.14117	3.3
379.21451	1.0
397.03906	3.0
397.14966	4.7
397.22610	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	397.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	4.3
56.79082	2.1
57.03310	5.2
58.00470	4.5
59.01254	100.0
69.03319	5.0
70.87405	6.3
71.01257	97.6
72.99187	8.0
73.02824	21.9
75.00750	3.5
81.03325	3.1
83.01271	8.8
85.02837	18.6
87.00748	15.5
87.66817	2.0
89.02323	70.7
91.03868	3.0
92.66694	1.7
95.01251	7.6
97.02830	17.1
99.00754	7.5
101.02326	81.7
103.03893	2.2
111.04426	3.2
113.02332	32.1
115.03855	2.1
119.03399	21.0
125.02354	21.7
131.03392	2.7
133.04956	7.0
137.02292	2.0
139.03934	4.1
143.03384	11.6
149.04439	1.8
159.42538	2.2
161.04466	20.9
179.05536	4.9
212.90065	1.9
217.07062	3.2
221.06654	4.1
235.08179	23.7
245.06703	2.7
254.20494	2.2
263.07623	2.5
277.09137	2.7
287.07840	2.7
321.09427	1.9
379.12543	2.7
397.13501	64.2
397.18634	3.9
398.13803	7.0
417.21625	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	397.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.9
59.01250	100.0
60.01596	1.1
66.32645	0.4
66.56815	0.4
69.03345	0.9
71.01252	17.0
72.99187	0.7
73.02827	1.9
77.94761	0.4
78.95776	0.4
83.01253	1.1
84.02061	0.6
85.02821	11.8
85.06507	0.4
87.00758	1.0
88.15387	0.4
89.02312	3.1
95.01263	4.2
97.02832	0.5
99.00774	1.5
101.02339	2.3
112.07078	0.4
113.02329	21.5
114.02671	0.7
119.03453	0.6
128.12392	0.4
141.12946	0.5
142.08850	0.4
147.11723	0.9
152.99419	0.5
161.04536	1.2
183.53062	0.4
183.58276	0.4
203.05730	0.6
211.60751	0.5
229.31927	0.5
383.40994	0.4
397.08200	0.4
397.22263	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	395.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22365	6.0
56.82641	5.7
59.01236	20.0
59.21038	6.7
61.98702	47.3
64.60801	6.2
71.57343	8.0
78.95769	15.3
86.36919	5.8
95.04861	7.9
96.95863	8.0
99.08025	24.5
112.72224	7.7
113.27299	6.0
129.09120	73.5
138.09183	6.2
152.99457	8.7
159.25063	5.9
183.13850	52.5
223.13133	7.8
267.12100	11.8
295.23047	7.6
313.23865	78.3
314.24207	11.2
316.50781	6.1
317.20734	15.0
334.57120	7.4
335.21982	100.0
336.22397	8.1
344.13071	7.3
364.57407	6.4
367.19775	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	397.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35633	0.4
50.99259	0.4
55.04272	0.5
59.01237	1.3
67.01762	2.2
69.28923	4.8
71.01241	0.7
72.99181	4.0
78.95786	0.7
83.01275	3.6
85.02817	16.3
99.00735	0.9
101.02327	2.0
109.60449	0.5
111.00762	100.0
111.63428	0.5
112.01112	2.7
129.01836	5.3
149.02266	0.6
152.99480	0.6
154.99767	14.5
173.00824	26.3
174.01208	0.8
184.88676	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2203
Annotation	(9S,10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate
Peak:m/z	Relative Intensity
54.99886	0.3
57.80017	0.3
62.96265	0.4
70.64028	0.6
76.52058	0.3
77.88820	0.3
78.95779	72.2
82.19720	0.3
96.96838	5.0
113.35546	0.3
123.87546	0.3
150.97945	1.7
152.99493	100.0
153.99866	1.7
171.00562	2.7
241.21690	2.4
277.21826	2.3
395.21997	9.7
395.27142	0.6
396.22256	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70090	0.5
57.03320	0.6
59.01249	8.1
60.23395	0.5
61.98704	8.7
69.83952	3.1
71.01260	1.3
71.04893	1.4
78.95779	1.6
80.90575	0.5
82.68520	0.6
83.04904	1.2
84.02036	1.3
85.59409	0.6
93.03329	0.8
95.04905	2.2
96.95868	0.7
97.05385	0.6
97.06471	7.0
99.08030	3.8
125.09708	0.7
127.11157	1.4
129.09116	1.7
141.12767	4.2
143.07007	1.5
155.14304	0.7
165.05223	1.6
167.14360	0.6
169.15868	1.3
171.10167	0.8
179.14392	1.0
183.13850	1.2
189.93784	0.6
193.08354	1.9
211.08110	1.0
249.22194	0.8
251.23804	2.0
252.86066	0.6
293.21375	1.1
295.22882	5.0
296.22928	0.7
313.23846	100.0
314.24167	8.4
315.19397	0.7
317.20917	3.1
333.20490	5.0
335.17511	0.8
335.22031	12.5
336.22296	1.1
353.21643	1.0
379.20929	6.1
395.23688	13.2
396.23788	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	395.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75233	0.3
59.01253	0.3
71.07186	0.7
78.95776	70.7
79.58961	0.3
96.96842	5.4
97.17767	0.3
100.00894	0.3
150.97945	1.9
152.99489	100.0
153.99832	1.1
171.00539	2.6
196.41458	0.3
241.21667	2.9
242.22221	0.4
277.18909	0.6
277.21725	6.4
278.21899	0.4
280.16995	0.3
318.22165	0.3
331.87418	0.3
395.21988	11.4
396.22470	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	6.0
61.92064	2.2
70.51329	2.1
70.92484	2.0
71.01250	6.9
71.57666	3.3
71.74957	2.0
75.00746	100.0
78.95780	4.5
80.33239	2.0
81.00444	2.1
85.02833	6.2
101.02317	4.2
111.00762	18.9
112.01120	4.2
127.05162	2.3
133.05003	3.5
134.04640	6.6
145.06073	5.1
154.99823	3.0
173.00836	9.7
174.01146	3.1
209.34262	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	395.1923
Annotation	Creoside IV
Peak:m/z	Relative Intensity
55.01768	6.2
55.74196	1.1
57.03324	7.9
58.00455	3.2
59.01253	72.9
69.03317	2.5
69.68510	9.4
71.01256	91.0
72.99187	6.3
73.02819	25.9
75.00716	1.2
78.41412	1.1
78.95763	4.4
81.03326	1.3
83.01257	18.7
85.02824	34.3
87.00738	4.9
89.02323	38.5
95.01264	3.7
97.02854	3.1
99.00763	11.6
99.04401	1.8
101.02329	80.9
102.02632	1.9
111.00792	8.3
113.02338	22.3
125.02302	4.5
127.94931	1.3
131.03406	31.2
143.03410	5.0
149.04469	9.7
152.99529	2.8
159.02896	3.9
161.04477	21.7
167.02084	6.7
179.76265	1.3
191.05557	1.6
199.13318	3.6
215.05644	1.7
233.06651	7.7
263.15002	100.0
264.15372	7.2
395.19217	64.1
396.19540	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	395.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59417	0.2
56.76769	0.2
57.52148	0.2
59.01254	1.8
67.12639	0.2
67.33429	0.2
69.00806	0.7
70.12733	0.2
71.01253	0.4
71.57407	0.3
71.57789	0.2
78.95775	1.0
80.02524	0.2
83.04893	0.4
84.02021	0.3
85.02834	0.4
93.03320	0.2
96.01913	2.3
96.95884	0.2
97.00311	0.7
98.02528	0.2
101.02343	0.4
105.01855	0.2
110.98413	0.5
124.01421	13.1
142.02519	1.1
159.10165	0.4
163.11220	0.7
165.12755	0.3
166.01254	0.5
167.02017	100.0
168.02521	2.0
178.14828	0.2
185.02101	0.5
199.13382	0.6
206.41701	0.2
208.42888	0.2
209.11763	6.8
210.12135	0.5
227.12856	1.9
250.57619	0.2
318.13477	0.4
395.14749	1.4
396.16327	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80354	31.4
70.64695	100.0
73.80944	32.5
77.05598	39.2
80.95215	33.3
160.74905	33.5
232.67999	35.4
260.67557	37.9
312.87430	36.7
322.51361	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65215	0.3
57.03310	0.4
58.71902	0.3
59.01263	0.6
67.01774	2.2
69.63313	0.3
71.57159	0.6
72.99175	4.6
75.00745	1.3
75.88570	0.3
83.01250	3.4
85.02818	13.5
92.75651	0.3
98.02354	0.4
99.00740	0.8
101.02319	1.5
107.04922	0.5
111.00760	100.0
112.01083	2.4
112.49156	0.3
117.01780	0.5
119.06354	0.3
119.41895	0.3
121.02855	1.5
129.01833	3.0
130.06496	0.4
131.03651	0.4
135.04433	2.4
139.11330	0.3
147.04411	0.9
154.99759	12.5
156.00163	0.6
158.06030	3.0
173.00826	31.3
174.01140	1.2
176.07088	1.2
191.01944	1.5
198.80260	0.4
202.04913	0.4
220.06087	4.0
306.42581	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75447	0.3
59.01234	0.8
67.01754	1.8
71.01266	0.7
71.45612	0.8
72.99178	4.2
73.02820	0.7
78.41287	0.3
83.01255	2.9
85.02822	14.1
88.79298	0.4
98.02364	0.7
99.00748	1.2
101.02319	2.0
111.00761	100.0
112.01087	2.3
117.01826	1.1
121.02840	1.5
129.01833	4.2
135.04395	2.1
139.41241	0.3
147.04388	1.2
149.37450	0.4
154.99760	14.8
155.01024	0.8
156.00136	0.6
158.05984	3.4
159.10162	0.5
173.00826	43.7
174.01195	1.8
176.07034	1.1
191.01901	6.9
220.06100	3.7
265.24756	0.3
325.78427	0.4
395.09106	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74506	0.9
62.34706	0.9
69.27160	7.1
69.27580	2.9
71.04881	5.1
72.99187	14.4
75.00748	9.3
90.15496	0.9
98.20589	2.1
105.05515	1.0
105.52704	0.9
115.03902	98.8
116.04214	1.4
133.04967	100.0
134.05280	2.5
177.13847	0.8
183.01048	0.9
190.50748	0.9
277.21738	26.6
278.22067	1.7
393.26343	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	393.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98016	1.0
57.03309	2.6
59.01250	13.7
69.03343	1.3
69.11996	1.0
70.07654	3.6
70.08069	2.1
71.04848	1.0
83.04887	1.6
84.92741	1.0
89.05000	0.9
94.56075	0.9
96.95870	1.3
99.08060	1.7
99.92456	1.8
113.09622	7.4
115.91975	1.6
123.08053	1.1
129.09091	3.0
130.65224	1.0
139.11171	2.3
140.26550	1.0
147.11693	3.6
165.12766	3.0
171.10149	2.0
181.12248	1.8
193.08409	1.8
193.12238	1.1
197.11774	5.8
199.13354	2.7
202.18748	1.1
211.13333	11.6
215.10504	5.6
219.09973	1.5
233.11551	55.3
234.11909	2.6
251.11368	5.1
265.21671	2.4
279.10721	2.3
293.12460	7.6
293.21292	8.2
309.20822	1.0
311.22284	100.0
312.22583	10.1
333.20389	9.6
351.20367	1.4
393.22397	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09086	1.0
57.03297	1.5
57.21042	1.0
58.00474	3.8
59.01250	17.9
61.98709	5.8
70.86803	2.6
70.87146	1.8
71.01244	3.7
86.32781	1.2
95.04929	1.1
99.04451	1.4
99.92441	1.9
100.04736	1.0
108.86676	1.2
115.91941	2.3
121.10190	1.9
125.09623	6.1
127.07555	3.1
127.11172	11.5
127.75589	1.1
137.09636	1.3
139.11179	1.9
141.09106	10.1
155.10660	3.6
157.08615	1.2
165.08986	4.3
171.10205	12.3
179.06743	1.4
181.08334	6.3
183.09993	8.8
183.13774	4.6
193.08397	36.3
194.08682	1.6
195.06404	1.5
195.09883	3.6
197.07745	2.3
197.10207	3.1
199.09659	4.1
201.11252	64.2
202.11523	3.1
202.14098	1.2
208.85266	1.2
209.07817	2.3
213.14771	1.4
222.08682	8.7
223.09496	76.1
223.12970	2.1
224.09749	3.9
225.07312	4.0
227.08954	4.7
231.99146	1.3
239.09035	2.1
241.06897	2.6
241.09270	25.6
241.14369	2.3
242.09526	1.6
263.12738	6.1
267.08447	6.0
267.11758	1.1
275.20047	4.3
278.11337	2.5
293.21136	3.3
297.18323	2.7
301.26816	1.2
303.19403	1.6
306.24292	1.7
311.22260	80.8
312.22577	9.0
315.19376	8.3
331.18704	4.4
333.20459	100.0
334.20752	10.0
351.20313	7.9
352.20755	1.4
359.18277	1.4
377.19534	7.4
393.21350	17.1
394.14038	2.0
394.21707	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	393.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	3.4
59.01250	100.0
59.48696	0.4
60.01582	0.8
60.12798	0.4
69.88529	2.3
71.01252	5.1
72.99198	0.6
73.02818	2.4
74.93028	0.4
83.01278	1.2
85.02814	3.1
96.95951	0.5
98.20526	0.6
99.00783	1.1
99.04398	2.9
101.02324	5.6
113.02325	2.1
125.02339	0.9
159.02925	1.1
161.04475	3.9
194.03426	0.5
201.35539	0.5
249.13530	0.7
333.19153	11.6
333.22879	0.8
334.19534	1.1
393.21368	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	3.8
59.01251	25.2
61.98699	1.0
64.77922	0.9
64.95216	0.9
69.93319	4.3
75.95543	0.8
83.04865	1.5
83.58017	0.9
88.93351	0.9
95.04893	1.5
99.08010	2.2
99.92464	5.4
101.05948	2.9
103.30820	0.9
113.09592	7.9
116.08160	0.9
116.92755	1.2
123.08064	1.1
125.09570	1.9
126.02982	2.1
127.11198	2.0
129.09081	4.2
139.11192	9.7
141.09178	1.0
147.11661	1.5
149.09674	0.9
151.11137	2.5
163.11128	1.2
165.12784	5.2
169.12239	2.5
170.05554	1.5
171.10196	16.3
181.12206	2.5
183.10030	1.0
183.13760	2.7
185.11728	3.1
193.08385	4.1
193.12273	2.0
197.02773	1.6
197.11829	6.8
199.13338	3.3
201.11296	2.8
207.09915	9.9
211.13307	13.1
215.10443	2.8
219.09943	15.2
220.10330	1.0
225.09834	1.2
225.18651	1.7
231.09940	1.0
233.11562	29.2
234.11919	2.0
236.19514	1.0
247.20677	2.1
249.09669	1.1
249.13397	1.6
251.11325	6.4
253.09259	1.5
267.10904	1.8
275.20325	1.4
279.10904	1.3
289.17932	1.4
293.12399	8.1
293.21280	11.1
294.21442	1.2
311.22272	100.0
312.22534	8.6
315.19406	15.4
316.19852	1.5
333.20468	24.5
334.20801	2.7
369.89948	0.9
377.19412	6.6
393.21567	12.2
394.21854	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40177	0.4
59.01250	100.0
60.01593	1.3
65.12520	0.4
69.04943	0.4
70.91418	0.9
79.95648	0.6
80.96404	0.6
96.95937	0.7
125.02325	0.7
132.04495	1.0
133.99677	0.5
136.07597	3.1
137.02338	0.7
142.60597	0.5
147.04565	0.5
164.47313	0.4
171.04381	0.5
209.62929	0.4
255.06589	0.5
271.06219	0.8
281.13083	1.1
325.12204	1.1
350.85458	0.5
357.14664	2.4
365.10522	1.1
393.10025	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90250	0.3
59.01249	100.0
60.01601	1.0
63.62368	0.3
71.57053	0.6
109.12501	0.4
128.68852	0.4
171.30672	0.4
333.05515	0.4
391.91116	0.3
393.07986	0.5
393.20242	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.206
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65260	0.9
59.01247	7.3
63.18216	1.1
75.00355	1.6
75.00746	21.1
78.95778	74.4
93.03312	2.6
95.00230	1.0
95.04893	10.2
96.96825	7.7
98.90540	2.2
109.63160	0.8
113.09647	1.0
113.65102	0.8
124.24089	1.0
132.98088	1.4
139.58443	0.9
150.97882	2.6
152.99495	100.0
171.00529	2.9
174.99149	5.1
195.13806	6.8
226.01448	1.8
239.20096	2.1
251.02408	1.8
265.03986	5.7
270.00555	3.2
277.21677	6.3
279.05420	1.8
293.07288	1.2
295.22787	47.7
296.23010	6.1
307.08780	1.2
311.11710	3.9
311.16754	1.6
312.11734	1.1
321.09998	1.1
350.11905	1.0
354.09976	13.7
355.10461	2.9
376.64999	1.1
393.19641	52.9
394.20001	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	393.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95523	0.5
59.01249	100.0
60.01600	0.9
69.46663	4.6
77.71496	0.6
80.79127	0.5
93.03342	8.6
97.31365	0.5
105.05722	0.7
107.03674	2.2
120.08080	26.8
121.08501	1.1
122.06008	35.1
123.06333	1.1
129.34396	0.5
133.36282	0.6
134.09590	0.5
136.07590	2.7
137.04718	0.7
145.33644	0.5
152.07066	3.1
161.07295	0.6
164.07062	6.4
210.09251	1.7
220.03427	0.6
224.10696	0.9
226.12321	15.4
227.12740	1.2
240.12556	0.7
243.15082	1.7
255.14952	6.3
255.50334	0.5
258.11514	0.6
270.11484	2.3
287.14011	12.1
288.14465	1.6
305.40295	0.7
377.38623	0.6
393.18497	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.182
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03129	0.5
59.01245	8.5
69.99478	2.0
69.99890	1.1
76.25990	0.6
80.04932	0.7
88.65764	0.5
93.03335	25.7
94.03674	1.2
94.06501	2.9
105.05711	3.4
107.03635	5.6
109.05139	0.5
114.83140	0.6
120.04479	1.0
120.08084	82.6
121.05231	1.7
121.08430	3.8
122.06010	100.0
123.06370	3.5
134.06036	2.0
134.09639	2.1
136.07588	8.5
137.04736	1.4
148.07600	0.7
152.07069	9.6
158.09837	0.7
164.07086	25.1
165.07443	0.9
203.24448	0.6
210.09145	3.7
211.09874	1.1
212.10835	0.9
215.11859	1.0
217.46179	0.5
224.10776	2.4
226.12329	52.2
227.12703	5.6
227.81778	0.6
237.57452	0.6
240.10326	1.1
240.12593	1.4
241.00130	0.6
241.13338	0.8
243.14972	4.1
244.15385	0.6
255.15001	22.2
256.15335	2.1
258.11426	1.9
270.11337	7.3
287.14011	47.4
288.14246	4.9
393.18378	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	393.205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	5.7
71.57230	1.2
78.95777	29.1
79.95589	4.6
99.92428	0.8
101.05975	1.8
104.73156	0.7
110.98421	49.6
152.98373	1.3
152.99454	5.3
164.37219	0.9
167.01051	2.7
183.01164	11.7
185.02129	100.0
186.02473	2.4
186.83722	0.9
197.02721	10.1
198.03406	1.9
211.04395	1.0
217.00150	1.5
221.08507	5.6
225.18549	28.5
226.18950	2.9
230.02525	2.0
253.19180	0.8
263.12283	1.0
311.16867	66.9
312.17163	7.1
325.18445	6.1
393.15424	1.6
393.20566	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10305	0.8
52.02810	0.7
54.60458	0.7
55.01773	1.3
57.03323	97.0
57.21042	0.6
58.03654	2.1
59.01250	100.0
60.01594	1.0
71.01251	16.8
71.57944	1.4
72.99168	1.3
73.02827	6.6
79.95624	0.7
81.03345	1.2
83.01260	4.6
85.02818	8.8
87.00775	1.1
89.02319	5.0
93.03330	2.2
95.01253	1.0
98.19855	0.8
99.00778	1.7
99.04392	74.4
100.04736	1.0
101.02322	37.3
109.02853	0.8
109.34031	0.7
111.00832	1.1
111.92861	1.3
112.93613	1.9
113.02321	8.0
115.18008	0.9
116.38857	0.9
119.03416	1.8
120.08078	4.0
122.05995	4.5
125.02331	19.2
128.99176	2.5
143.03416	2.5
149.04552	0.9
152.07040	0.8
157.08659	1.5
159.02971	1.3
161.04454	4.9
164.07053	1.0
179.05583	1.1
213.14969	2.9
217.74968	0.8
226.12338	2.1
231.16010	1.3
249.13383	34.9
249.15967	1.7
250.13771	2.1
287.13983	1.8
291.14664	1.9
331.17538	0.8
333.19067	0.9
393.16132	3.4
393.21280	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	393.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09071	3.6
59.01252	100.0
60.77116	3.4
71.01241	7.5
71.56857	6.0
76.59428	3.6
87.23157	3.9
89.02314	7.0
89.92758	3.8
91.85444	3.5
101.02399	4.2
103.02290	4.0
111.33524	3.3
113.02245	4.1
128.03426	5.2
179.76537	3.3
182.54262	3.4
182.60266	3.3
201.40114	3.5
219.04901	3.6
269.08264	11.8
323.47668	3.8
333.15680	8.1
356.61880	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	393.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93788	0.4
67.82351	0.4
71.07030	0.4
71.56543	0.6
78.95778	43.0
81.29925	0.4
90.18134	0.4
96.96842	100.0
110.98392	0.8
115.00269	0.5
133.04967	4.0
174.73315	0.4
246.93150	0.4
251.33388	0.4
259.02206	2.1
262.11554	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
60.68966	0.9
70.74734	1.8
70.75109	1.6
78.95776	51.9
96.96841	100.0
98.02316	1.1
109.75780	0.8
133.04997	5.5
137.87823	0.8
202.47057	0.9
259.02261	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	392.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	12.0
69.24624	1.2
69.25242	8.9
71.01260	3.9
72.00776	13.1
75.00737	1.8
78.95759	1.2
79.03780	1.2
80.96398	1.4
81.03360	1.0
83.04905	4.1
85.02812	2.0
88.03325	1.0
93.03322	1.0
98.19813	1.8
101.02325	1.2
134.67749	1.0
135.14427	1.0
137.37932	0.9
145.14265	1.3
147.04419	41.1
148.04765	2.7
163.11176	4.4
164.07076	100.0
165.07396	4.2
165.12758	1.9
191.10651	2.0
209.11766	95.7
210.12106	5.5
217.44472	1.1
227.12837	40.3
228.13203	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	392.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	36.5
61.98709	94.0
64.88353	12.1
66.81671	10.4
69.42741	100.0
69.43159	18.2
76.16311	10.9
76.97053	11.7
78.95787	26.8
91.87111	12.8
96.95883	30.3
98.95479	15.0
114.40472	15.1
119.04916	13.2
119.07118	11.1
128.99144	14.7
139.64722	10.7
152.99522	13.6
159.38348	12.8
159.52151	15.6
392.17783	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.187
Annotation	Korupensamine D
Peak:m/z	Relative Intensity
59.01247	3.0
59.32213	0.4
69.75423	2.1
78.95817	0.3
79.95599	0.5
80.96361	0.5
81.03309	1.0
83.04887	3.1
84.05212	0.7
85.02798	1.0
93.03335	14.4
94.03624	0.8
94.06499	0.5
96.95866	1.6
102.28474	0.4
111.07943	0.4
111.66798	0.4
112.96433	0.4
115.35346	0.4
117.03349	0.4
126.99422	0.5
128.99156	1.3
132.73494	0.4
148.73778	0.4
180.13841	0.6
182.06071	0.5
183.06758	0.8
198.09154	0.7
200.10799	3.0
210.09261	2.9
211.09874	0.4
211.13277	3.5
212.10742	5.2
212.13705	4.8
217.00227	0.7
262.86664	0.8
268.13330	0.6
286.14407	1.3
288.19635	0.6
292.19974	0.6
298.14380	0.4
304.13437	0.6
306.14987	100.0
307.15305	13.2
310.21167	1.0
318.18039	0.8
332.19247	0.6
391.29865	0.4
392.18680	39.5
392.24091	2.7
392.29276	5.0
393.19070	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	391.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	8.8
78.95785	6.0
152.99487	16.0
160.71616	1.9
255.23285	100.0
256.23651	9.5
391.22476	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	392.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98672	0.2
59.01254	1.2
66.00860	0.3
68.02409	43.9
69.02740	0.5
71.05303	0.5
71.05659	0.4
75.00753	0.4
90.00822	0.2
95.01141	0.3
112.01412	42.2
113.01057	0.4
113.01762	0.7
114.89388	0.3
126.99456	12.0
127.99815	0.4
152.08194	0.3
157.41919	0.2
166.09737	0.3
168.07697	100.0
169.08084	3.5
171.10208	0.3
183.01068	0.6
216.84460	0.3
236.73076	0.3
252.13539	1.0
272.58905	0.3
277.21973	0.7
278.89166	0.3
295.22601	1.4
311.16885	2.5
318.77267	0.3
325.18399	0.6
392.13879	3.5
393.14670	0.4
393.19449	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	392.138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03286	0.2
59.01254	0.9
61.84367	0.2
62.84970	0.2
63.01578	0.2
66.00835	0.4
66.15026	0.2
68.02408	13.6
68.70783	0.2
69.02739	0.2
70.20075	0.7
102.05544	0.2
110.03482	100.0
111.03168	0.5
111.03828	2.3
126.05550	0.2
126.99453	33.6
127.99817	1.2
128.99179	0.3
154.43338	0.2
168.07690	23.4
169.08070	1.0
170.69481	0.2
194.09238	1.4
195.09760	0.2
206.09322	1.2
230.50783	0.2
240.52707	0.2
252.13472	0.3
262.18167	0.5
277.02582	0.5
293.21167	0.2
311.22421	0.3
320.42697	0.2
331.13940	0.2
333.20322	0.3
334.09641	0.7
335.22256	0.2
392.13846	4.5
392.24490	1.4
393.14285	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30885	0.5
59.01245	1.3
61.49778	0.5
70.68321	0.5
78.95776	4.9
140.10124	0.6
147.36963	0.5
152.98314	1.1
152.99504	19.6
181.74954	0.5
190.50185	0.5
203.70833	0.5
255.23280	100.0
256.23584	9.1
275.33636	0.6
340.05133	0.8
391.22510	8.1
392.23007	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	3.4
59.01247	26.4
61.98713	4.4
67.52104	2.1
69.03336	2.6
69.42484	7.4
69.42912	12.7
71.01244	2.2
71.04894	4.0
77.28408	2.0
78.95770	5.1
79.79521	2.0
79.95616	8.0
80.02527	2.5
80.96414	2.7
81.03331	21.5
83.04903	63.4
93.03345	24.9
95.04907	2.3
96.95898	48.4
98.19828	3.8
99.92459	2.4
109.06510	8.4
111.04398	8.0
123.04327	2.5
129.09108	4.5
147.08018	2.0
152.99574	2.6
153.04042	2.6
158.93544	2.8
177.12668	2.9
183.13815	5.4
193.12308	3.7
195.13849	13.1
211.13350	100.0
212.13785	4.8
217.00278	5.1
235.17128	2.6
247.20636	2.4
249.11172	2.3
271.13171	2.8
273.14853	17.6
274.15198	3.1
276.00122	2.3
285.17133	6.7
291.14484	5.8
291.19678	74.2
292.20050	5.1
293.21246	2.9
299.16635	4.4
302.14999	4.6
309.20740	96.9
310.21048	8.5
311.22244	3.6
313.17838	33.7
314.18115	2.8
317.17657	19.6
318.17871	4.0
331.18936	85.0
332.19263	8.1
349.18768	8.2
375.17929	8.3
391.18430	19.3
391.29633	67.6
392.19278	3.3
392.30228	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	391.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80565	1.6
59.01253	26.5
67.53900	1.8
71.04893	15.5
71.18934	3.2
71.19257	2.1
78.95772	2.5
79.95598	2.7
81.95197	2.2
89.02277	1.8
93.03330	3.4
93.18018	2.1
95.04852	2.5
96.34272	1.5
96.95883	15.3
97.06467	5.7
97.17100	1.7
98.95470	6.2
99.92447	1.9
109.06478	2.0
121.02826	3.1
121.10124	6.1
123.07980	2.0
125.09611	3.7
132.40181	2.0
137.09625	14.7
147.08058	3.3
171.08777	2.3
171.10191	39.1
183.13896	2.0
185.11807	5.7
193.08408	8.6
195.09973	4.0
207.09979	2.1
211.08203	3.7
211.13335	6.9
217.00186	5.6
226.84949	1.9
235.17043	2.3
239.09004	4.8
245.11678	2.0
245.19060	8.0
251.16501	14.0
291.14648	3.6
291.19696	33.5
292.20020	3.2
309.20700	100.0
310.21063	10.2
313.17847	91.7
314.18210	9.2
331.18521	14.0
375.18085	3.5
391.16852	6.3
391.21454	3.9
392.17706	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	391.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95699	1.3
57.03301	2.2
59.01250	20.3
60.58886	1.6
69.03330	1.8
70.16104	6.2
71.04886	2.9
74.90883	1.7
78.49387	1.4
78.95770	5.1
79.95612	3.4
81.03333	22.3
83.04900	73.3
93.03333	10.6
95.04918	2.1
96.95894	16.0
98.20480	2.2
98.95449	1.8
99.34904	1.6
109.06478	4.7
111.04398	5.6
112.05167	2.6
121.32583	1.7
129.09126	3.7
152.99472	2.8
182.15364	1.8
183.13887	3.6
195.13841	11.6
211.13362	45.7
211.15414	2.4
212.13673	2.2
217.00218	6.5
236.39571	1.5
245.19447	1.9
261.11337	1.6
273.14764	16.3
279.12332	2.4
281.13269	1.9
291.14706	2.6
291.19659	37.8
292.20007	4.6
299.16510	2.2
302.14871	1.6
307.23718	2.8
309.20703	61.9
310.21133	4.8
313.17905	19.7
314.18182	2.9
317.17624	4.4
324.10056	1.6
329.16983	1.9
331.18903	62.3
332.19226	7.7
349.18668	6.7
375.18039	7.7
389.28336	2.5
391.20291	5.3
391.29678	100.0
392.20172	2.3
392.29880	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	391.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	2.2
59.01252	33.3
70.15981	4.9
71.01261	1.4
71.04903	13.0
76.76883	1.2
78.95780	4.5
81.03345	1.4
93.03348	4.7
96.95905	2.2
97.06478	4.0
99.75285	1.4
121.02855	5.0
121.10162	8.5
123.04432	1.3
125.09626	5.9
133.06445	1.3
137.09642	10.6
147.08096	4.1
149.84982	1.2
151.11227	2.5
152.99570	1.4
166.39902	1.3
171.10179	19.0
185.11765	9.7
197.11827	2.2
207.10007	4.1
209.11751	2.1
211.13367	7.5
223.13310	1.9
227.17961	2.4
237.14882	2.3
245.18994	7.7
251.16515	28.7
252.16841	2.0
257.11865	1.6
273.18735	1.8
284.13885	2.2
285.65125	1.6
291.14587	1.7
291.19681	40.4
292.20062	4.2
295.16806	1.8
309.10144	2.3
309.20712	100.0
310.20956	12.7
313.17853	97.2
314.18170	10.3
331.18610	14.0
373.18631	6.8
374.18939	1.8
375.18054	3.5
391.20767	16.4
391.25824	2.5
392.24792	2.3
395.38684	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	391.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	2.9
59.01253	37.2
71.04899	12.8
78.95776	6.8
87.22432	2.1
89.81380	1.8
93.03329	4.5
96.95886	4.2
97.06463	5.3
98.20581	3.8
111.08041	1.7
121.02830	3.9
121.10114	8.4
123.07989	2.1
125.09589	5.6
133.13145	1.7
137.09622	9.5
138.52887	1.8
147.08032	5.5
149.09604	2.1
151.11176	2.0
152.99440	2.8
162.43689	1.9
171.10168	21.8
183.13805	2.1
184.24509	1.7
185.11752	7.2
193.12297	2.6
197.11694	2.0
207.09979	3.0
211.13342	39.4
212.13693	2.9
217.00156	5.1
233.11552	2.2
235.17007	3.4
237.14890	3.5
245.19067	7.0
249.09818	1.8
251.16557	32.7
252.16693	2.3
259.13339	2.0
284.13770	2.7
285.17365	2.7
291.14447	2.1
291.19659	47.1
292.20044	2.5
309.20712	100.0
310.21118	10.9
311.16211	1.8
313.17847	99.0
314.18106	11.5
317.17581	7.2
331.18500	16.7
373.18753	7.5
375.17841	3.3
389.70004	1.9
391.20987	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	391.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.8
59.00947	1.0
59.01247	16.5
61.98701	0.7
69.03326	3.4
70.26894	2.8
70.58481	0.7
71.01261	1.2
71.04897	1.6
73.22454	0.6
78.95794	1.0
83.04897	0.7
85.02863	0.7
89.47967	0.7
91.12289	0.7
93.03342	1.7
95.04914	1.0
96.95914	1.8
97.06432	1.0
104.18863	0.7
107.04876	1.0
110.34113	0.7
121.06469	2.5
126.99458	1.8
140.60016	0.7
174.99065	1.1
187.14836	1.4
193.30627	0.8
195.13832	4.8
196.88429	0.7
199.83934	0.7
203.14369	1.6
205.15895	9.2
207.13922	1.0
207.17542	1.4
211.13405	2.3
217.00212	2.4
217.11996	1.6
220.35667	0.7
223.13377	1.0
223.16928	3.7
231.09807	0.7
231.45654	0.7
233.11586	0.8
233.15439	3.8
235.13167	0.7
245.15111	0.8
247.09480	1.1
249.11101	3.1
251.16478	11.4
255.13782	6.1
261.11234	0.9
271.13297	1.3
273.14719	100.0
274.15079	8.4
279.12155	1.9
287.11511	0.7
287.16330	0.8
289.12909	2.8
291.14566	19.3
291.19644	2.8
292.14651	3.1
294.09525	0.8
309.20737	22.2
310.21173	2.1
313.17892	5.8
331.18668	9.0
332.18665	0.9
333.15454	4.4
334.15814	0.8
336.77036	0.6
353.91348	0.7
391.19601	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	2.4
59.01253	47.8
61.98700	9.7
66.87514	2.1
69.03338	2.8
70.67257	2.8
70.67607	6.6
70.93716	2.4
71.04896	39.6
73.02912	2.1
75.75187	2.0
78.95779	6.5
79.06165	2.0
79.95610	16.7
83.04911	7.6
90.92620	2.2
93.03316	5.5
95.04913	6.5
96.95899	57.0
97.06474	9.5
107.04984	2.6
135.08005	2.1
137.08685	3.0
137.09637	30.3
152.99467	4.4
155.82425	2.1
171.10194	47.1
172.10567	3.1
181.12206	2.6
183.13768	4.4
185.11784	3.2
191.14375	3.4
207.13907	2.7
209.11732	4.8
211.13347	54.6
212.13594	4.7
217.00250	8.2
235.17012	5.1
255.13562	4.3
259.13199	28.4
285.17148	5.9
289.14111	4.4
291.19653	56.9
296.28955	2.3
309.20712	100.0
310.21075	7.8
313.17841	76.4
314.18143	8.3
331.18936	80.8
332.18991	8.3
391.18500	27.7
392.18658	3.2
398.30737	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	391.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	75.2
65.47154	5.0
71.57696	5.7
71.58069	7.3
75.00745	19.2
78.95756	7.1
80.02534	6.4
83.01263	12.5
121.06464	6.7
123.04439	6.9
125.09634	17.7
132.98152	6.1
139.11221	11.7
163.11224	16.5
165.12741	20.9
167.10703	7.5
174.99191	7.8
193.12161	6.2
193.15906	6.5
209.11784	98.9
217.00072	6.7
219.88184	5.7
231.09966	39.7
247.20709	15.6
270.04199	10.9
277.83304	5.7
290.23950	6.2
291.19727	100.0
292.19882	7.8
293.21353	29.4
309.20682	82.5
331.18900	18.6
352.08353	16.6
354.09869	12.0
391.17542	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03262	0.5
57.03330	0.9
59.01251	100.0
60.01587	1.5
71.01253	6.6
71.33514	0.6
75.00746	0.7
83.01244	0.7
85.02822	5.5
87.00756	0.8
89.02322	8.0
91.02802	0.5
98.20597	0.8
99.00787	0.7
101.02346	3.1
111.00835	0.6
113.02354	2.3
119.03377	4.3
120.03780	0.6
128.56618	0.5
129.01880	0.7
132.15656	0.4
133.02776	0.7
143.03424	0.5
143.88980	0.5
147.02921	0.9
156.06622	0.6
161.02386	1.6
161.04526	0.8
179.03322	0.6
179.05588	1.7
185.11812	0.6
191.01971	1.3
204.06558	0.7
209.11900	0.6
217.02039	0.5
217.35512	0.5
219.53979	0.7
229.14388	5.7
244.80667	0.5
311.10382	0.6
331.17685	0.9
343.13135	0.6
345.43341	0.5
391.19803	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71289	0.4
53.19848	0.4
55.01750	1.3
57.03309	1.5
58.00460	1.3
59.01249	34.8
67.22191	0.4
69.03325	0.4
69.46439	3.6
71.01253	19.6
72.01598	0.4
72.99178	1.8
73.02807	2.9
77.33244	0.4
78.20560	0.4
83.01238	2.3
85.02822	8.6
87.00755	1.4
89.02314	9.9
93.03326	1.8
95.01255	1.4
97.31585	0.4
99.00744	0.9
101.02319	10.9
107.04901	3.5
111.00737	0.5
113.02335	5.1
119.03391	2.6
121.02851	4.1
123.04415	1.6
125.02378	0.7
125.09628	1.6
127.11179	1.4
165.05490	0.5
167.14333	0.4
203.89847	0.4
209.11707	0.9
211.13332	6.4
212.13684	0.7
229.08664	2.5
229.14395	25.5
230.14813	2.0
373.18610	2.4
374.19080	0.5
391.19717	100.0
392.20087	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	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.6
59.01248	100.0
59.15912	0.3
60.01588	1.0
60.86567	0.3
64.73726	0.3
69.53352	0.3
69.86510	1.9
71.01246	3.0
73.02821	0.6
78.95811	0.6
79.46841	0.4
79.95581	1.8
80.96402	0.7
83.39033	0.4
85.02832	1.5
89.02316	0.6
93.03354	0.9
96.95843	0.4
101.02355	1.4
111.00773	0.7
112.93642	0.6
113.02327	0.5
115.00284	0.9
122.05975	0.6
133.02867	0.4
134.03661	0.5
135.04402	0.5
145.07593	2.1
178.02614	0.4
188.08185	0.4
214.09923	1.0
217.00369	0.6
224.10715	0.4
229.14455	0.8
231.10280	0.4
275.09399	1.1
304.13144	0.8
314.92651	0.4
331.17908	0.4
347.10864	0.4
391.08630	0.4
391.20087	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1976
Annotation	Leu-Phe-Asn
Peak:m/z	Relative Intensity
54.26781	1.3
55.01777	1.2
55.93357	1.3
57.03325	7.4
58.86361	1.2
59.01254	100.0
69.51461	10.8
71.01251	15.8
72.99176	1.5
73.02828	2.6
78.95774	5.8
83.01247	2.9
83.04892	2.7
85.02837	6.7
89.02313	11.3
93.16910	1.3
96.96838	2.6
97.66553	1.4
98.19772	1.6
99.04402	7.2
101.02337	12.0
113.02310	5.9
119.03377	3.7
124.50042	1.2
125.02350	1.9
125.09627	2.4
127.11184	1.7
129.10225	1.6
130.08592	2.2
131.29921	1.1
141.06247	1.5
143.04459	1.3
147.04483	1.7
152.99525	3.0
153.52263	1.2
161.04575	1.7
164.07094	3.1
171.10175	3.5
179.05473	1.7
201.11285	2.9
209.11758	2.1
211.13351	9.2
213.14905	1.7
229.14421	37.9
230.14960	1.3
247.11853	1.3
257.16129	1.3
323.02026	1.4
339.07074	1.4
357.14346	2.3
368.74765	1.3
374.17056	1.8
391.19720	93.0
392.20139	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57179	0.8
59.01251	100.0
60.01579	1.1
71.01254	10.5
71.57909	1.4
73.02815	2.1
85.02820	4.3
87.00729	0.9
89.02334	4.5
91.39607	0.9
93.03308	1.0
96.95944	1.0
99.00701	1.3
101.02323	4.7
113.02323	3.6
115.00234	2.2
119.03378	1.4
119.04922	1.5
120.99511	1.3
126.99418	4.8
132.97791	0.9
133.04945	1.0
136.16719	0.8
161.04443	4.4
163.03873	1.1
164.07069	1.3
170.11763	1.6
180.06592	2.4
209.11852	2.7
209.79654	0.9
211.13377	2.7
212.80202	0.9
285.14551	2.5
331.17438	1.5
391.19495	6.0
392.20926	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	391.1662
Annotation	Leuconicine G
Peak:m/z	Relative Intensity
59.00948	1.0
59.01251	19.9
71.01266	1.0
71.18470	0.7
71.18791	0.8
74.75812	0.6
86.63317	0.5
93.03337	49.1
94.03678	2.9
96.95905	3.9
98.95465	2.1
98.96386	0.6
106.06551	0.9
120.04460	1.1
120.08059	3.6
121.05251	2.8
122.06011	10.9
123.06367	0.5
125.04562	1.0
126.99461	2.2
128.99174	5.2
134.06027	3.4
148.07474	0.6
160.06346	6.4
162.55617	0.6
187.09889	0.6
211.08655	0.9
211.13377	2.4
213.10274	24.5
214.10594	1.4
214.12471	0.6
217.00235	3.0
223.08684	1.0
225.10304	2.9
226.11020	2.4
237.10277	7.1
238.11006	4.0
239.11794	1.8
241.13434	14.7
242.13734	1.1
244.10799	0.7
251.11948	1.1
253.13440	90.7
254.13776	7.8
267.11453	1.3
285.12445	100.0
286.12793	8.8
309.20703	1.6
329.12811	0.7
391.16663	24.6
392.17041	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	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41018	0.3
51.68433	0.3
53.18266	0.2
56.76458	0.3
59.01249	100.0
60.01588	0.9
71.01278	0.6
73.03960	0.7
75.76260	0.3
78.95782	1.2
79.95607	0.5
80.51067	0.3
85.02808	0.3
93.03325	1.4
94.75491	0.3
97.03981	0.4
110.98464	0.4
111.17144	0.3
115.05022	1.4
122.06017	1.1
134.03694	0.4
147.04500	0.4
164.07040	0.4
185.02158	0.4
195.13895	0.9
201.36563	0.3
205.12334	0.4
210.09222	1.1
211.57111	0.3
217.00327	0.7
223.13341	7.3
224.10669	1.4
224.13702	0.6
225.11479	0.4
226.12381	0.7
229.29704	0.4
253.13637	0.5
267.34164	0.3
275.09235	0.4
347.17834	0.7
391.10712	0.6
391.16208	0.5
392.16089	1.7
392.20728	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	54.1
58.03667	0.9
59.01251	100.0
63.92681	0.8
70.79697	2.4
71.01257	17.3
72.99203	1.7
73.02814	5.7
75.57277	0.7
78.95779	1.6
81.03345	1.3
83.01262	2.4
85.02827	5.1
85.66476	0.7
87.00742	1.9
89.02313	13.7
95.04923	0.8
99.04397	35.9
101.02328	19.9
113.02337	6.8
119.03379	5.5
123.04396	1.5
125.02330	8.3
127.46330	0.9
130.08656	2.3
131.03339	1.4
133.85469	0.8
137.80884	1.1
143.03421	1.3
149.04503	1.4
152.99509	1.5
161.04488	5.5
179.05540	4.5
201.11151	0.9
211.13278	1.5
229.14400	4.9
247.11911	2.0
276.87445	1.0
314.55115	0.8
331.17654	3.5
339.80200	1.0
391.19684	22.4
392.20135	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	391.153
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28513	0.3
55.15863	0.3
55.85111	0.4
57.03310	0.8
57.08929	0.3
59.01253	19.1
69.03336	2.6
71.01247	1.6
71.04895	0.7
75.75676	0.3
78.95777	14.5
79.95614	1.1
80.96405	0.6
83.04900	0.7
85.06453	0.7
93.03344	5.7
95.04873	0.5
96.96841	0.6
99.35755	0.3
101.02338	0.4
110.98425	5.2
111.08038	0.4
122.06013	6.2
133.61258	0.4
134.03680	0.4
136.07648	0.5
140.35393	0.3
149.09657	0.7
151.11273	0.4
152.99551	0.4
153.09193	0.4
167.01100	2.3
167.10701	3.5
177.12802	1.0
179.10690	1.8
179.14320	3.6
185.02144	6.4
187.11105	0.4
195.13864	12.2
196.14139	0.8
205.12296	9.8
206.12582	0.8
209.08386	0.8
210.09181	3.2
212.10745	0.7
223.13358	100.0
224.10773	3.8
224.13707	6.9
225.11481	1.7
226.12334	2.8
253.13454	1.4
275.09351	1.2
285.12531	0.4
319.19186	0.6
338.08804	0.3
347.17627	1.9
391.14655	7.3
391.19162	2.7
392.15784	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0801
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	74.3
59.33909	0.5
60.01589	0.7
71.01257	5.2
71.03091	1.4
73.02852	0.7
75.09528	0.5
81.03339	0.6
85.02825	2.8
89.02338	3.6
93.03347	0.7
96.95850	0.6
101.02336	2.0
113.02300	1.4
115.00267	1.0
119.03451	0.9
122.05962	0.7
126.99454	100.0
127.99772	3.5
155.36977	0.6
161.04373	0.6
179.03227	0.6
191.01779	0.7
205.70270	0.6
209.11787	1.0
211.13359	1.5
250.64001	0.6
255.26686	0.6
275.09265	0.8
289.75150	0.7
298.49554	0.6
366.00937	0.6
391.19620	2.2
392.17154	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0805
Annotation	8-C-p-Hydroxybenzylkaempferol
Peak:m/z	Relative Intensity
50.45850	0.7
59.01252	100.0
60.01583	1.1
69.03350	1.2
71.01262	5.3
71.57201	1.5
71.57572	1.0
72.99186	1.0
73.02834	1.3
78.95797	3.3
85.02847	1.7
87.00781	1.6
89.02309	5.4
101.02357	3.3
109.02872	2.7
113.02374	2.1
114.39344	0.7
119.03401	1.6
125.68083	0.7
126.99461	77.0
127.99821	1.3
132.68431	0.8
152.99495	2.2
160.40692	0.8
161.04520	0.9
171.07286	0.8
171.10210	1.2
179.05673	0.9
185.06030	0.9
209.11789	0.9
211.13364	5.2
220.37289	0.7
228.24440	0.9
229.05125	3.0
229.14452	1.7
264.24286	0.8
329.21680	0.8
331.17700	1.4
391.15128	1.1
391.20187	8.5
392.20453	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1705
Annotation	Ancistrolikokine D
Peak:m/z	Relative Intensity
58.02850	31.5
58.26416	3.4
59.01235	7.7
70.86063	5.5
70.86401	8.3
72.00782	8.3
74.02347	93.2
78.95773	6.6
84.04436	5.1
86.02339	11.0
96.95896	3.6
99.05512	10.4
101.02333	5.2
101.23738	4.1
104.03426	64.2
112.02671	14.2
124.02603	3.6
125.10865	3.3
130.08615	7.2
143.11790	20.6
155.11800	32.4
169.09731	15.2
178.08676	18.7
179.11649	4.5
181.09708	5.9
187.10843	8.0
189.06947	19.0
195.11359	7.5
207.44981	4.1
226.09045	12.8
226.15538	11.7
238.15523	16.5
274.15793	10.2
285.12979	4.7
286.15948	20.3
303.13885	15.8
316.16992	4.6
328.16995	28.2
329.17059	3.9
360.15970	100.0
361.16257	4.9
390.17032	95.1
391.16989	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	390.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	21.3
61.98704	100.0
63.60385	3.1
67.82912	3.9
69.99680	16.2
71.01260	8.8
72.26667	3.9
78.95795	5.2
79.87072	3.7
79.95615	9.6
83.04895	3.7
85.02806	5.8
93.03366	6.4
98.20558	4.9
159.11119	3.1
165.02406	8.0
170.26805	3.6
171.10257	5.7
225.11124	4.2
237.11482	3.5
253.13428	4.2
261.81845	4.1
275.09293	4.8
304.13800	5.3
346.14767	29.9
347.14862	4.8
362.22595	7.5
388.07440	3.6
390.19159	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38556	26.7
57.06578	34.4
59.01240	100.0
71.35365	43.8
71.92557	29.5
88.59821	25.7
93.50303	33.6
96.43797	30.1
113.41290	36.1
139.56245	29.6
196.34807	35.1
303.88568	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	390.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73125	0.1
59.01248	0.7
63.63929	0.1
66.00835	0.2
68.02385	0.3
70.32098	0.1
70.32424	0.5
81.02097	0.2
81.03182	5.6
82.03977	4.7
96.01903	1.9
108.01970	0.3
113.02191	0.3
124.07536	0.8
125.07108	0.1
126.50508	0.2
126.99458	4.4
141.60304	0.1
151.07426	0.5
166.09764	100.0
167.10141	4.0
174.99176	0.2
197.08040	0.1
200.17531	0.1
217.00243	0.6
250.15590	1.6
262.15570	0.3
276.09079	0.2
313.25494	0.1
370.59921	0.1
390.15945	1.7
391.16232	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
70.93454	100.0
70.93788	57.0
85.23508	48.2
96.65649	50.7
191.21432	53.3
255.05576	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29889	11.0
59.01259	15.6
69.25230	43.1
69.25645	100.0
69.78233	11.5
75.93994	11.0
116.78049	11.3
131.20674	10.5
183.18709	11.2
252.86800	12.2
279.84247	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	389.291
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18880	14.0
58.82418	11.9
59.01241	40.1
59.95282	15.4
69.69212	100.0
71.01278	14.9
94.26431	15.1
119.77376	14.5
146.20915	14.7
149.04179	14.8
254.40056	14.6
265.48248	16.9
326.05630	13.6
404.53271	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	389.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	1.4
59.01254	13.1
70.10926	4.0
70.11343	2.5
70.76890	1.1
71.01264	1.3
71.04882	8.7
72.57890	1.3
73.02825	4.0
78.95777	2.4
79.26329	1.2
80.02549	1.6
82.16535	1.0
93.03332	3.7
93.85854	1.1
96.95924	1.4
97.06450	2.0
99.04415	8.0
99.92437	1.4
107.04941	1.9
109.06463	1.4
119.04922	2.2
121.02883	2.1
121.06502	9.1
123.04440	2.0
123.08054	5.1
138.06773	1.8
149.06015	4.4
189.12727	2.4
189.16313	1.3
203.14301	2.1
205.15880	2.1
207.13786	2.6
221.15504	10.0
233.15424	4.6
235.13174	1.3
243.17532	4.4
245.19070	3.3
249.81873	1.2
251.16618	1.8
255.13579	3.0
257.11542	3.0
258.12292	2.9
261.18472	6.1
271.13278	6.2
271.17059	2.1
272.13815	1.9
273.14774	10.7
274.14835	1.5
283.16940	2.9
285.14688	1.4
289.18100	28.5
290.18399	2.8
299.16351	1.8
300.13419	2.5
301.17752	2.5
304.13055	1.4
307.19165	57.3
308.19476	5.1
311.16306	12.8
317.17505	1.2
329.17337	100.0
330.17645	7.1
332.14594	2.0
361.15100	3.6
389.18320	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	389.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	24.1
65.03846	16.3
66.78842	2.8
68.20058	3.5
71.04894	31.2
71.18290	6.9
78.95781	5.2
79.95619	11.4
83.04907	6.6
93.03342	9.6
95.04874	3.4
96.95892	44.9
97.06457	17.9
109.06493	6.4
121.06486	26.9
122.06882	3.3
125.09626	9.3
138.06851	4.6
185.11803	17.0
189.12796	12.0
191.14482	3.4
193.08429	6.2
197.11659	3.3
207.09940	37.8
209.11743	8.2
211.13361	13.0
233.11592	6.4
233.15503	6.5
235.13376	79.1
243.17516	4.1
247.09575	3.4
257.11581	54.0
261.18710	4.0
271.13144	4.9
289.18069	7.6
307.19138	22.8
311.16190	7.7
315.17883	5.2
329.17255	100.0
329.23209	5.8
330.16974	9.0
389.16129	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	389.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	7.1
59.01258	47.7
65.03847	29.4
69.03334	13.7
69.93066	24.5
71.04900	32.6
78.95778	23.0
79.95606	32.0
93.03365	11.2
96.95903	100.0
96.97981	5.7
97.06469	56.0
101.47283	6.3
108.02057	68.3
119.08547	8.2
121.06499	71.9
125.09612	27.6
126.99454	11.2
148.73431	5.7
152.99571	8.4
160.05252	12.9
161.85208	6.7
167.76039	6.1
185.11778	60.6
189.12779	23.9
198.72346	6.2
207.09991	68.7
209.10121	6.1
209.11694	29.2
211.13394	29.3
213.05453	8.7
235.13361	58.3
239.07076	7.5
257.11594	55.6
289.18149	20.4
293.06949	6.4
307.19162	56.8
308.00983	6.0
311.16150	9.5
329.17194	96.8
330.16861	7.9
377.13824	7.2
389.13272	93.2
390.14279	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	10.6
61.88918	0.7
64.89833	0.7
66.62281	0.8
69.23130	0.8
69.36901	0.9
71.04895	7.1
71.29417	1.7
73.55606	0.8
73.76891	0.8
79.95611	2.4
80.02554	1.2
81.03314	2.3
81.95189	1.1
83.04895	2.1
93.03334	5.6
95.01284	1.6
95.04913	2.1
96.95896	3.6
98.03625	1.2
99.92467	1.8
106.04172	2.1
107.04894	1.3
109.02856	1.9
109.06480	13.4
111.04394	12.6
111.08032	1.6
112.05213	1.1
121.06484	3.8
123.04390	0.8
123.08065	1.1
125.05893	0.7
127.07544	2.2
131.04866	0.8
137.09700	0.9
140.40245	0.8
143.10712	1.0
145.06512	2.6
149.05977	7.0
150.06343	0.9
163.11153	1.1
167.10693	2.6
179.10631	1.2
181.12216	0.9
191.14488	0.9
195.13760	4.3
205.15913	1.0
209.37642	0.7
213.08821	1.0
217.12125	2.0
235.13223	1.8
243.17508	1.7
245.19072	4.5
247.09445	3.7
249.11040	3.3
251.16393	0.8
257.11612	8.0
261.18604	2.9
269.12131	1.8
271.13104	2.3
272.13950	1.2
273.14740	1.2
279.12158	3.2
287.16504	2.0
289.18082	100.0
290.18408	7.7
299.12418	1.1
300.13528	3.3
301.16797	1.6
307.19095	13.8
308.19360	1.0
311.16171	5.9
329.17191	69.4
330.17447	7.2
389.18839	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.5
57.03316	4.6
59.01248	47.5
68.02415	5.1
69.03325	2.1
70.25816	4.9
75.00742	2.7
79.95586	2.0
80.02538	3.4
80.89203	1.3
81.03331	5.6
83.01254	12.0
83.04892	4.5
93.03335	1.5
95.04890	4.8
97.02834	5.3
97.06477	12.8
98.20063	2.8
103.91945	1.5
107.04941	1.4
108.02071	1.8
109.06470	2.6
116.61141	1.5
119.08558	1.6
120.20078	1.3
121.06471	3.4
123.04422	10.4
123.08039	4.3
125.05995	1.7
125.09606	20.6
126.99439	5.0
127.07555	1.1
132.96616	1.1
135.08060	3.8
137.05899	1.7
137.09624	10.8
141.12746	3.0
142.02559	1.4
149.05946	1.8
151.11162	2.9
152.08159	1.5
163.07552	2.0
163.11188	18.2
165.09070	1.3
165.12758	9.2
166.09769	24.2
167.10733	1.7
171.10229	1.2
175.07281	3.2
177.12740	1.8
179.10611	1.6
181.12277	3.5
185.11743	13.7
191.10701	6.3
191.14348	16.6
203.10464	1.4
207.10165	12.7
209.11763	81.1
210.12065	4.4
210.24400	1.1
211.13310	2.3
217.15860	1.6
219.06384	1.4
225.11281	10.6
226.11949	1.5
231.09970	57.5
232.10257	3.9
233.11638	3.6
239.43140	1.5
243.17400	1.6
245.19055	36.4
246.19421	2.6
247.09570	1.5
259.09387	1.4
259.13312	1.8
263.20120	2.4
271.17050	3.9
285.18280	2.4
289.18076	100.0
290.18497	9.0
291.12143	2.8
291.19641	10.0
307.19125	60.4
308.19482	5.0
311.16406	2.1
317.17297	5.9
325.15875	1.3
329.17432	15.3
330.17630	2.4
338.45877	1.3
389.12335	14.2
389.19559	9.8
390.00616	1.5
390.12573	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	389.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22451	2.2
57.03329	9.1
59.01252	57.6
62.50897	1.8
62.65479	1.9
68.02402	4.6
69.03322	2.4
71.01257	8.2
71.58092	2.5
79.95609	3.5
80.96404	2.8
83.04884	4.7
93.03366	2.4
94.59668	1.9
95.04897	4.8
97.06456	20.3
109.06484	2.7
111.08036	9.1
114.78088	1.9
121.06445	2.2
125.09641	3.0
126.99456	5.9
128.99190	3.0
149.09584	2.6
151.11188	20.3
153.09151	2.5
155.10728	4.3
161.94234	1.8
163.11148	5.6
165.12752	31.5
166.09764	3.1
179.10675	12.1
181.12244	32.7
191.10735	14.8
191.14362	4.9
191.76221	1.9
195.10333	2.3
209.11763	100.0
210.12161	6.5
211.13312	8.6
217.00276	3.1
217.08430	6.0
227.12791	5.4
228.23744	2.4
231.10071	3.0
233.11536	11.8
245.19061	18.8
249.11050	2.3
260.10318	2.1
261.18597	2.0
263.12619	4.1
263.20190	5.1
264.09824	3.9
271.17142	2.8
279.19626	5.6
283.16794	2.3
289.18088	24.1
299.10895	1.9
307.19135	40.2
317.17319	7.3
329.17349	10.7
389.12103	11.8
389.19476	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	389.1819
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
57.03321	0.7
59.01257	4.2
71.01261	4.4
71.57600	0.9
72.99161	1.3
78.95779	1.8
80.02551	1.9
81.03325	1.8
83.04898	7.2
85.02835	2.7
87.00748	5.2
89.02318	1.1
95.04918	0.8
98.14683	0.7
101.02348	1.8
109.06490	1.0
113.02303	1.3
126.00327	0.7
135.08044	1.2
162.02289	0.8
163.11220	5.7
165.12744	3.7
191.10774	1.5
199.13338	1.9
209.11777	100.0
210.12137	4.6
227.12843	31.0
228.13107	1.3
235.13350	2.2
253.14406	5.6
301.16559	2.5
327.18207	0.9
335.61526	0.9
389.13199	1.7
389.18170	30.2
389.23080	1.6
390.18622	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	389.1815
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
57.03321	2.2
57.65959	1.2
58.00439	3.8
59.01247	100.0
71.01251	67.4
72.99174	4.7
73.02825	3.2
80.29867	1.4
83.01250	2.6
83.04942	1.2
85.02832	14.5
87.00723	4.0
89.02316	90.9
95.01271	4.1
98.20568	2.9
99.04387	17.1
101.02316	37.7
113.02329	25.7
119.03384	38.8
131.03400	3.4
143.03409	6.4
147.11710	5.3
149.04465	2.5
161.04482	6.5
179.05551	13.2
209.11754	58.2
210.12099	3.4
229.52098	2.2
295.10849	2.0
313.11862	2.6
357.11075	1.7
389.13586	2.9
389.18173	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	389.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	2.2
58.53980	1.4
59.01253	100.0
71.01258	43.9
71.18597	3.6
72.78546	1.6
72.99191	2.3
73.02823	52.0
75.00742	4.1
77.52518	1.4
78.45364	1.6
78.95777	10.2
83.01271	18.8
85.02831	4.6
87.00757	2.6
87.04422	2.5
89.02322	9.2
95.01293	1.6
96.95888	2.9
96.96848	2.1
98.20506	1.6
101.02325	48.6
113.02326	8.3
116.46876	1.4
119.03424	3.9
121.02847	1.9
125.02354	3.2
130.08624	1.6
131.03436	2.5
143.03400	3.5
149.04420	1.9
152.99516	5.2
161.04453	6.8
167.10696	45.8
168.11052	2.3
228.55824	1.4
260.37885	1.7
304.43149	1.6
319.86404	1.6
329.15857	2.1
347.17117	7.8
389.13239	2.8
389.18106	33.6
390.18283	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	389.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01595	1.3
63.94413	1.0
71.01254	1.8
78.95782	3.3
82.87990	0.8
85.02807	1.3
89.02336	1.4
90.72426	0.7
97.91131	0.7
98.20544	2.0
101.02318	0.9
121.02822	1.1
161.04523	1.3
167.10692	39.3
168.11029	1.9
171.10234	1.2
213.05557	1.3
291.36014	0.9
346.14893	1.0
361.22568	1.7
389.13635	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
66.23463	0.8
71.01249	0.9
71.58263	1.5
73.02829	0.8
75.00744	1.2
77.37271	0.8
79.95604	1.5
85.98064	0.8
88.33151	0.7
93.03344	1.1
101.02320	1.5
102.00536	0.8
113.02319	1.1
133.02864	2.0
134.03627	2.7
137.02350	2.2
178.02634	4.8
178.04010	0.7
183.13684	0.9
185.77937	0.8
187.03932	0.9
211.13335	2.4
222.89491	0.7
227.12897	1.0
253.21054	0.8
321.85635	0.9
327.15646	1.3
345.17154	0.9
347.24152	1.9
389.06622	3.5
389.12125	1.9
389.16818	1.0
389.25266	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1814
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
55.67579	0.7
57.03318	0.9
59.01249	13.4
65.73380	0.7
71.01251	5.2
71.57866	0.8
72.36022	0.8
72.99176	0.8
73.02814	0.8
74.98972	1.6
78.95766	0.7
79.95601	2.5
80.96382	1.1
85.02821	2.8
89.02312	3.8
95.01226	1.1
96.95878	0.7
101.02319	2.2
109.02847	0.7
111.08031	1.4
113.02328	4.9
119.03349	0.8
120.01144	1.2
128.13446	0.6
133.02846	7.1
134.03636	8.7
134.66708	0.6
135.04366	1.3
137.02330	4.3
139.03926	1.2
161.04437	1.2
165.12758	21.5
166.13072	1.9
177.01883	3.4
178.02634	11.8
179.02948	0.7
183.13821	74.5
184.14189	3.7
187.03911	1.2
197.15382	0.7
207.13884	1.9
209.11789	1.8
211.13289	3.5
227.12834	100.0
228.13164	6.5
251.12856	5.1
261.28104	0.8
269.13879	2.8
309.14972	2.6
327.16031	4.8
345.17068	4.0
347.24313	2.2
361.06946	0.9
389.17331	2.0
389.25726	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1639
Annotation	H-TRP-TRP-OH
Peak:m/z	Relative Intensity
56.29452	0.6
57.03312	0.7
59.01256	4.2
61.98704	1.7
71.01258	7.0
73.02830	1.6
79.67396	0.7
79.95608	44.9
80.96387	3.4
83.01265	0.8
84.87073	0.6
85.02827	2.5
87.00755	0.6
88.05444	0.5
89.02327	0.7
89.84652	0.5
93.03314	1.1
95.95116	10.2
96.95891	100.0
97.02832	5.5
99.00739	1.3
101.02335	2.9
111.08035	0.8
113.02311	2.0
119.95843	0.6
121.06512	0.8
126.99458	63.3
127.99797	2.5
133.02832	3.1
134.03662	3.2
137.02342	2.0
151.00555	0.9
159.04396	0.8
161.04446	2.1
171.10129	0.6
176.98564	2.7
177.01862	1.4
178.02608	4.0
185.11725	1.4
187.04028	0.9
190.02975	1.4
191.03749	3.7
197.11697	1.4
199.13177	0.7
207.10068	0.7
207.58255	0.7
211.13303	5.9
212.13687	0.8
217.08693	0.7
273.14905	0.7
289.17993	0.9
291.09167	1.3
291.19675	1.9
292.19452	0.7
299.16626	3.5
309.20728	3.1
317.17584	1.5
327.15839	0.9
329.16901	0.9
345.16733	1.3
389.16345	67.0
390.16537	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54020	0.2
59.01239	0.4
60.62241	0.2
77.16824	0.2
78.95779	100.0
79.95624	0.3
88.00805	0.2
96.95886	0.7
96.96844	5.7
98.19770	0.5
99.78518	0.2
121.02841	0.3
171.10161	0.4
206.78487	0.2
229.57788	0.3
247.13957	0.2
250.63310	0.2
293.40219	0.3
305.15372	0.2
318.94000	0.2
389.17523	6.2
390.17795	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1817
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
57.03320	3.0
58.00457	3.4
58.28650	2.1
59.01250	100.0
69.03311	2.3
70.99725	2.1
71.01252	49.6
71.35277	1.8
71.43923	2.2
71.44243	3.4
72.99164	4.5
73.02806	3.1
79.47647	1.9
83.01212	2.2
85.02824	12.5
88.03914	5.6
89.02316	50.5
95.01286	2.6
97.06481	3.1
101.02318	34.4
108.61292	1.9
111.00737	2.6
111.08082	3.1
113.02344	17.3
119.03400	24.6
131.03348	3.2
143.03371	4.2
147.11743	2.3
150.03093	2.8
161.04468	2.9
165.12778	33.8
179.05548	3.7
209.11757	61.3
210.12115	3.0
238.42677	2.2
283.95819	2.0
389.13232	4.0
389.18182	69.5
390.18637	6.3
397.83554	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	389.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.8
61.98692	0.6
65.03836	0.4
66.17339	0.2
71.01236	0.5
71.57397	0.2
71.57848	0.3
73.02825	0.2
79.95607	3.2
80.96387	0.4
85.02847	0.4
93.03335	48.5
93.13870	0.2
94.03680	1.4
95.95096	1.0
96.95890	12.2
97.02834	0.9
101.02331	0.3
121.02856	0.3
133.02888	1.1
134.03621	0.9
137.02341	100.0
138.02681	3.1
143.00375	0.2
145.90782	0.2
148.51778	0.2
151.91182	0.2
172.46263	0.2
176.98576	0.4
177.01865	0.3
178.02618	1.2
191.03639	0.3
211.13377	0.6
299.16595	0.5
327.16046	0.3
345.16522	0.2
389.12585	0.5
389.16452	5.6
390.16736	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25504	1.4
59.01256	12.1
71.01249	2.6
71.38313	3.2
78.95760	2.0
79.95605	3.7
80.96381	3.5
85.02826	2.6
93.03305	3.2
95.04879	2.1
96.95866	3.5
97.47508	1.3
105.03339	4.8
109.02814	3.2
115.00401	1.4
115.75371	1.3
120.44311	1.4
121.02824	2.6
125.27291	1.4
128.09366	1.5
133.02844	36.0
134.03644	43.5
135.04358	6.1
135.81544	1.3
137.02351	20.0
139.03877	4.8
143.04486	2.9
150.03050	2.0
159.04376	4.3
160.05191	4.4
161.05775	1.7
172.05170	18.7
173.05974	6.2
177.01874	18.4
177.03270	3.0
178.02629	63.1
178.04211	3.1
179.03050	3.3
185.05959	2.1
186.06776	2.8
187.03973	11.0
187.07521	1.9
197.06094	1.8
201.05574	8.0
202.06282	8.8
204.04204	6.3
207.10159	1.9
211.13321	17.5
225.11189	2.7
247.09476	2.3
257.15347	4.3
267.52277	1.5
283.13394	100.0
284.10876	2.2
284.13766	9.2
299.16266	2.6
301.14420	57.1
301.17850	3.1
302.14804	6.0
309.14911	10.1
317.17581	1.7
327.16013	26.0
328.16412	3.5
345.17047	51.6
346.17343	5.8
389.16327	4.3
389.21298	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	387.239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
71.01248	2.0
71.57280	2.1
71.57636	2.5
79.95622	9.5
80.96364	2.6
88.46564	2.0
91.03879	3.4
96.95899	10.1
98.63159	1.7
115.35188	1.6
125.69431	1.8
134.03638	1.9
147.04422	3.8
253.18048	3.1
258.87256	2.4
313.22958	2.4
329.23514	4.8
387.14807	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	387.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89352	18.9
55.50541	21.4
55.88521	18.0
59.01252	100.0
60.16571	15.8
70.62405	50.6
81.16109	21.3
113.73595	21.6
125.80684	17.0
212.55472	19.7
248.41318	17.6
289.41287	20.0
309.24466	27.9
330.37662	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	387.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36999	8.5
59.01253	100.0
69.73531	9.0
71.01231	14.3
79.23295	9.7
95.06062	9.0
98.20537	33.3
98.65208	9.3
105.98058	9.9
169.88782	10.7
178.24594	10.3
244.54189	11.2
298.32510	13.2
387.46878	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	389.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99478	21.4
59.01239	10.8
71.01243	15.7
71.56636	3.2
85.02834	6.5
87.00739	12.8
89.02310	6.8
97.67050	2.1
101.02324	6.3
102.98470	100.0
111.00764	5.5
111.70215	2.3
113.02347	7.0
119.03376	3.1
131.03685	2.1
139.02168	15.2
155.60239	2.5
161.04456	6.3
209.11618	2.6
249.06172	7.9
283.01767	4.2
283.04926	84.0
284.05222	4.7
297.69678	2.3
366.47684	2.2
389.17984	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	387.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80297	12.0
59.01256	100.0
59.41818	12.0
59.56000	12.5
70.59067	36.2
71.01266	20.7
85.02805	18.0
101.02371	14.4
101.05947	20.2
141.01521	12.7
198.83423	13.2
271.20636	18.8
284.02551	13.3
288.12973	15.4
315.19641	22.9
387.25372	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86720	14.9
59.01251	100.0
64.01082	11.3
70.60431	40.3
71.01251	42.8
80.96375	11.5
89.02319	19.0
101.02328	19.8
108.83330	12.0
121.81345	11.8
141.04607	11.7
145.73611	11.0
171.72612	13.6
270.45975	12.0
310.00342	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	387.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37691	0.7
55.01755	3.6
57.03318	3.4
58.00466	5.3
59.01249	100.0
62.81091	0.6
67.01757	1.4
69.06662	0.8
71.01250	85.1
71.33176	1.6
72.01598	1.2
72.99185	7.6
73.02817	10.9
75.00753	2.3
76.81355	0.8
83.01260	9.0
85.02368	0.6
85.02816	28.2
87.00761	4.6
89.02312	79.9
90.02660	0.9
93.03365	1.3
95.01259	5.4
97.02806	1.0
99.00739	4.7
101.02319	59.1
101.95936	0.8
103.14144	0.9
107.04938	1.0
111.00761	38.5
113.02322	38.0
114.02647	1.1
119.03387	38.4
123.04460	1.9
125.02315	1.0
129.01852	2.9
131.03394	2.5
136.05171	1.3
136.75508	0.9
143.03394	6.9
145.06093	1.0
149.04483	3.7
151.03926	1.8
151.07568	1.5
152.08334	8.4
153.09068	1.0
154.99771	6.3
157.66048	0.8
159.02928	4.2
161.04454	20.6
163.11215	3.1
173.00812	20.2
174.01210	0.8
179.05507	10.4
191.01964	4.6
205.03383	1.0
207.13748	1.0
225.14856	6.2
326.08954	0.8
355.09509	1.4
361.11395	0.8
372.18250	1.6
387.12048	5.6
387.16586	7.5
387.20383	74.8
388.16504	1.1
388.20670	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	387.2024
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
53.37691	0.7
55.01755	3.6
57.03318	3.4
58.00466	5.3
59.01249	100.0
62.81091	0.6
67.01757	1.4
69.06662	0.8
71.01250	85.1
71.33176	1.6
72.01598	1.2
72.99185	7.6
73.02817	10.9
75.00753	2.3
76.81355	0.8
83.01260	9.0
85.02368	0.6
85.02816	28.2
87.00761	4.6
89.02312	79.9
90.02660	0.9
93.03365	1.3
95.01259	5.4
97.02806	1.0
99.00739	4.7
101.02319	59.1
101.95936	0.8
103.14144	0.9
107.04938	1.0
111.00761	38.5
113.02322	38.0
114.02647	1.1
119.03387	38.4
123.04460	1.9
125.02315	1.0
129.01852	2.9
131.03394	2.5
136.05171	1.3
136.75508	0.9
143.03394	6.9
145.06093	1.0
149.04483	3.7
151.03926	1.8
151.07568	1.5
152.08334	8.4
153.09068	1.0
154.99771	6.3
157.66048	0.8
159.02928	4.2
161.04454	20.6
163.11215	3.1
173.00812	20.2
174.01210	0.8
179.05507	10.4
191.01964	4.6
205.03383	1.0
207.13748	1.0
225.14856	6.2
326.08954	0.8
355.09509	1.4
361.11395	0.8
372.18250	1.6
387.12048	5.6
387.16586	7.5
387.20383	74.8
388.16504	1.1
388.20670	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	387.2025
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
55.01754	7.2
56.99687	0.4
57.03326	6.4
58.00459	3.2
58.02834	0.4
59.01250	63.3
68.99686	0.6
69.03322	0.9
69.41720	3.9
71.01252	100.0
71.89944	0.4
72.01596	1.5
72.99180	5.6
73.02819	31.5
74.03160	0.7
75.00738	1.9
75.01128	0.6
78.95782	1.8
81.03356	0.7
83.01257	13.8
83.04897	0.9
84.02029	0.6
85.02823	45.4
86.03153	0.7
86.23900	0.5
87.00752	10.5
89.02315	32.5
94.14971	0.5
95.01261	7.1
96.95907	1.2
97.02814	2.4
99.00750	12.1
101.02322	83.8
102.02670	1.5
107.41126	0.4
111.00757	2.1
113.02324	43.9
114.02650	1.3
115.03919	0.5
119.03386	11.9
125.02349	1.6
129.01874	2.9
131.03377	1.9
137.09607	3.2
139.00241	0.6
143.03386	5.7
143.04417	0.7
149.04404	0.6
149.09602	0.8
151.11195	1.4
159.02904	9.5
161.04463	44.3
162.04843	1.3
163.11139	0.5
165.12762	2.4
167.14326	2.1
171.18030	0.4
179.05531	3.5
189.12791	1.4
193.04979	1.1
195.13806	1.5
205.03487	1.7
205.12315	0.6
207.13853	1.8
223.13173	0.5
225.14914	41.2
226.15205	3.4
297.17023	3.3
359.47299	0.5
366.65530	0.5
387.20245	50.0
388.15686	0.8
388.20541	6.1
404.92456	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2025
Annotation	Macarangioside F
Peak:m/z	Relative Intensity
55.01753	0.8
57.03328	1.3
59.01251	28.7
67.71913	0.6
67.78159	0.7
68.62122	0.7
71.01250	16.0
71.11451	0.6
71.29543	1.1
72.99194	1.7
73.02818	3.7
83.01253	2.1
83.04926	0.8
85.02819	9.0
87.00737	1.0
89.02316	5.7
95.01258	1.6
96.95901	1.0
99.00746	1.3
101.02325	8.0
111.00798	0.9
113.02328	5.1
119.03391	3.1
155.07433	0.7
161.04454	1.6
166.99593	0.6
169.12186	1.5
181.12212	1.1
197.11879	0.8
197.15411	2.2
207.13802	5.0
215.38632	0.8
225.14912	74.6
226.15221	4.4
279.85233	0.8
325.14514	1.1
343.15588	1.6
369.19208	1.0
383.05350	0.8
387.20239	100.0
388.15961	1.0
388.20618	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	387.2024
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
55.01747	0.6
57.03326	0.9
58.00450	0.4
59.01250	100.0
60.01592	1.3
71.01253	12.1
72.99198	0.8
73.02814	3.9
73.03180	0.3
75.00748	0.5
83.01254	2.0
85.02822	5.3
87.00765	0.9
89.02317	3.8
95.01291	0.9
97.02827	0.6
99.00756	1.6
101.02321	10.2
106.89914	0.3
113.02338	4.9
119.03415	1.2
125.02335	0.5
129.01849	0.3
131.03404	0.6
133.04924	0.4
134.93292	0.3
143.03346	0.4
159.02940	1.0
161.04468	6.2
161.05876	0.4
165.12772	1.0
179.05576	0.3
327.18054	0.3
345.19174	7.1
345.23035	0.5
346.19458	0.7
365.92065	0.3
387.19907	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2026
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
54.70901	0.3
54.74760	0.3
55.01766	0.7
57.03325	1.2
58.00466	0.8
59.01251	100.0
60.01587	1.0
69.03321	0.5
69.31019	3.9
71.01253	23.7
72.01613	0.4
72.99184	1.2
73.02818	10.0
75.00768	0.5
78.95760	0.5
79.95615	0.7
80.96409	0.6
83.01248	4.3
85.02829	6.8
87.00775	1.7
87.04403	1.1
89.02317	14.2
95.01278	1.6
96.95937	0.6
97.02838	0.4
99.00768	1.8
101.02322	19.7
101.05998	1.0
102.02647	0.6
111.00764	0.5
113.02330	8.9
114.02686	0.5
119.03388	7.3
125.02383	0.6
131.03430	1.2
143.03392	2.2
149.04454	0.8
159.02975	0.5
161.04471	5.2
165.12782	0.5
179.05527	3.6
225.14920	1.9
280.23257	0.4
311.10446	0.8
327.18246	0.9
327.21692	0.5
345.19269	4.9
345.23001	2.1
387.15955	0.7
387.20215	1.7
387.24460	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.5
58.00474	1.8
59.01258	4.4
59.28893	1.2
66.92588	1.7
71.01237	1.3
71.65666	1.2
72.99190	1.9
99.08057	6.7
112.33216	1.2
113.09649	1.6
129.09119	6.2
153.12836	1.9
162.24979	1.3
165.12791	1.5
166.41466	1.3
169.12267	11.1
181.12285	6.2
193.12320	3.3
199.13342	22.7
200.13757	2.0
211.13350	13.2
219.09987	8.4
221.11533	11.5
227.12943	1.5
229.14421	1.8
229.41905	1.5
233.11549	15.5
235.09505	1.3
249.11049	10.3
265.10754	2.6
293.21317	2.1
311.22345	3.1
329.23343	100.0
330.23654	9.9
351.21524	42.6
352.22040	4.4
387.19254	47.5
387.25296	2.6
388.19418	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1662
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
50.67632	0.7
52.16003	1.0
55.55466	0.8
55.92402	0.7
58.00463	0.8
59.01254	68.7
63.71077	0.7
67.80139	0.8
68.58292	0.7
71.01253	15.7
71.56751	1.4
72.66789	0.9
72.99180	1.5
73.02856	0.8
73.41927	0.7
73.72462	0.7
74.02336	0.9
83.01258	1.2
85.02830	5.1
89.02319	14.2
95.01283	1.7
101.02332	10.3
111.00764	6.3
113.02341	5.8
116.43213	0.8
119.03381	4.6
130.08681	1.3
132.87411	0.7
150.50566	1.0
154.06158	1.4
154.99832	1.0
163.11208	5.4
173.00868	2.9
207.10213	15.6
208.10648	0.9
242.39320	0.8
387.16608	100.0
388.16843	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	387.1919
Annotation	Trimethobenzamide
Peak:m/z	Relative Intensity
57.03315	1.8
59.01255	5.1
60.50304	1.4
69.37822	11.4
69.38229	3.0
73.02805	2.2
74.02348	2.2
99.08041	4.7
125.09631	3.7
165.12767	4.4
171.10179	8.6
183.13799	5.2
193.08383	2.5
193.12228	1.9
198.23161	1.6
211.13338	37.0
212.13681	2.1
221.11551	1.9
226.21385	1.5
229.14415	27.5
230.14632	2.2
231.09961	2.0
233.11534	26.9
247.51128	1.8
249.11139	1.9
251.12790	12.5
267.49472	1.6
269.08206	2.5
283.22845	2.3
329.23328	92.6
330.23505	7.6
351.21524	19.7
387.19214	100.0
388.19424	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	387.156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31504	0.3
59.01242	2.2
69.30895	2.2
71.01244	0.5
89.89899	0.2
92.04944	0.3
94.06506	1.9
98.20501	0.5
104.04906	0.4
106.06489	0.5
107.03644	10.2
120.04435	1.5
121.05215	0.7
122.06002	48.9
123.06329	1.8
124.07586	0.6
130.02869	3.3
131.03679	4.9
132.04446	9.2
134.06015	1.4
134.33168	0.3
139.02631	2.6
141.01596	0.8
146.06033	2.3
147.03166	1.4
148.03952	2.4
150.05518	0.6
152.07069	100.0
153.07426	4.6
158.02376	12.0
159.02766	0.4
159.42937	0.3
160.03986	1.9
161.04555	0.3
162.04231	0.5
162.05510	5.8
162.06839	0.3
164.07002	0.6
166.05008	0.4
174.01944	0.3
175.02730	0.5
176.03441	2.4
190.05019	48.5
191.05356	2.7
192.06671	1.4
202.04997	0.6
204.06619	0.3
212.46742	0.3
221.16306	0.3
222.07663	42.3
223.07993	2.8
234.07683	1.8
237.33511	0.3
250.07291	0.3
251.08310	0.6
263.15067	0.5
265.09741	0.8
281.09290	0.3
293.09238	0.5
295.10992	0.5
296.11603	0.5
297.12424	0.4
323.10379	0.5
327.13422	0.5
340.10626	0.4
355.12991	5.2
356.13104	0.7
359.16071	1.3
365.65857	0.3
387.15582	76.9
388.15933	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	387.1484
Annotation	Cetirizine
Peak:m/z	Relative Intensity
50.34945	1.3
57.03324	1.8
59.01250	11.9
61.98704	2.3
71.01238	3.9
71.04883	3.5
71.18309	4.0
75.00738	4.4
79.71706	1.6
79.95602	57.4
80.96386	57.5
83.04886	3.3
85.02805	3.6
89.02309	2.1
93.03326	1.3
95.04918	2.8
96.95888	37.6
109.06477	9.4
111.04384	4.4
113.02325	1.8
119.03429	1.4
122.05974	1.7
123.04417	1.8
127.07560	3.1
152.07086	3.2
187.69592	1.5
190.05000	1.8
195.13838	1.6
211.13254	3.1
235.19307	1.4
245.19014	3.2
251.16800	1.5
271.17062	1.8
287.16464	3.2
289.18091	57.6
290.18466	5.3
295.12411	1.7
302.54333	1.6
307.19321	7.0
387.14807	100.0
388.14972	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	387.1447
Annotation	Tenellic acid B
Peak:m/z	Relative Intensity
59.01247	9.0
71.01237	2.8
74.87917	0.9
75.00744	1.7
78.95775	1.9
79.95580	1.0
80.96376	0.9
85.02834	3.4
89.02290	1.2
96.95872	3.0
96.96841	1.2
98.20536	2.2
101.02341	1.2
119.03332	0.8
121.02902	0.8
171.10214	0.8
185.05927	1.1
186.06752	3.4
211.13344	1.7
213.05515	2.5
214.06290	22.1
214.08258	1.5
215.06624	1.9
227.07167	4.5
229.04982	1.0
233.11494	1.5
245.65886	0.8
246.05307	16.2
254.31195	0.8
281.15585	2.2
297.14972	4.3
299.16473	2.1
325.14426	66.2
326.14755	7.0
327.21805	3.3
343.15479	100.0
344.15775	10.1
349.19708	1.0
387.17334	2.8
388.21756	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	8.3
66.56986	0.6
67.01754	2.3
70.90952	0.8
70.91275	1.0
71.01249	2.3
72.99190	4.4
83.01257	2.7
85.02817	13.7
85.71444	0.5
87.00736	0.8
89.02319	1.6
93.03323	1.7
99.00733	0.9
100.92531	0.6
101.02317	3.4
107.04948	1.1
111.00761	100.0
112.01080	2.4
115.43885	0.6
117.01828	0.7
121.02800	0.7
123.04418	2.0
129.01823	4.8
133.92062	0.6
135.04469	1.0
151.03896	2.5
154.99760	17.6
156.00214	0.8
173.00824	50.7
174.01138	1.5
174.31577	0.5
191.01863	6.6
207.10199	1.0
234.47340	0.5
252.52489	0.6
337.05719	1.1
387.16553	12.3
388.17191	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	8.8
62.67901	0.8
67.01734	2.0
70.95999	1.8
70.96342	0.8
71.01248	7.6
72.99170	3.8
73.02815	2.4
83.01266	3.0
85.02331	1.5
85.02819	16.9
89.02306	6.8
93.03336	4.2
99.00764	1.1
101.02332	7.3
107.04945	1.0
107.17089	0.9
111.00764	100.0
112.01111	1.3
113.02306	3.8
117.01859	1.2
119.03364	3.7
121.02823	1.7
123.04388	3.6
127.05029	4.2
128.03487	1.8
129.01814	5.0
135.04445	1.0
143.97847	1.4
145.06084	3.6
151.03923	6.1
154.99776	13.8
161.04465	1.0
163.59450	0.9
173.00829	42.1
174.01154	1.8
179.05574	1.0
186.21339	0.9
191.01897	10.6
224.02209	1.0
225.02533	1.1
226.02066	2.3
247.07266	1.7
250.62479	0.9
265.08295	2.3
265.46692	0.9
277.08167	1.0
387.11948	1.1
387.16037	1.4
387.20303	2.6
397.59946	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1972
Annotation	Isostemofoline
Peak:m/z	Relative Intensity
59.01249	3.1
69.34216	4.0
71.01261	1.0
75.00764	0.4
79.95602	1.0
85.02835	1.0
93.03330	17.5
98.20062	1.9
119.04931	1.4
121.06474	1.4
123.04424	0.5
127.07522	1.2
141.01570	0.7
152.33138	0.4
162.83807	1.6
164.14294	1.0
170.06006	1.6
177.62769	0.5
183.06834	0.7
184.07590	3.7
190.12321	0.7
192.17529	1.0
195.13844	0.5
196.07513	1.7
208.13420	1.4
223.13318	0.7
226.09753	0.4
230.15317	0.5
236.16539	2.4
237.16785	0.5
244.13351	2.3
248.16493	1.6
249.17282	1.2
280.15598	1.6
292.15753	0.5
295.15808	0.7
296.20288	0.8
298.21695	3.2
305.13651	0.7
312.16324	0.5
312.22559	0.5
324.19644	11.7
325.19980	1.2
333.18356	0.4
340.19318	0.6
342.20706	60.4
343.21030	7.3
350.17340	2.7
363.58527	0.5
368.18622	12.0
369.18918	1.9
378.56854	0.5
386.19702	100.0
387.20062	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	386.182
Annotation	Terazosin
Peak:m/z	Relative Intensity
52.13224	0.5
57.03310	0.6
58.93890	0.5
59.01255	5.1
60.88910	0.6
61.09233	0.6
69.03307	1.1
71.01253	5.9
71.57352	0.8
72.99173	2.9
73.02803	1.3
75.00745	56.7
76.01087	0.9
85.02831	2.2
87.00753	8.6
97.02804	1.9
99.00751	2.4
104.32104	0.6
108.04442	1.0
109.06519	0.6
110.39543	0.7
111.00740	0.8
122.06019	0.8
146.66183	0.7
162.12802	2.2
164.14371	13.3
165.14638	0.8
174.01550	0.8
175.01967	0.8
188.14465	1.1
190.04994	0.7
190.12314	11.1
196.83344	0.6
204.13889	4.3
206.15437	1.5
208.13361	68.1
209.13689	4.7
212.13620	0.8
222.07727	1.0
222.14922	11.0
223.15163	0.8
232.13376	6.1
250.14453	52.4
251.14740	4.0
278.17630	2.3
280.15686	1.7
288.16037	12.2
289.16449	0.7
292.15485	3.4
332.14969	2.6
350.16101	1.7
356.14169	1.8
364.17191	0.7
368.17117	11.4
369.17514	1.2
386.18185	100.0
387.18683	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	385.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70822	0.6
59.01242	2.3
65.06116	0.7
69.49943	2.1
69.50365	3.6
71.01254	1.1
71.82610	0.7
78.95790	1.3
91.03877	1.4
97.06498	0.7
107.33651	0.8
117.20531	0.7
118.94151	0.8
131.08157	2.9
138.17506	0.7
139.00581	0.7
139.11151	1.0
164.68573	0.7
167.14345	2.5
171.08092	0.8
171.10243	0.8
173.09355	0.9
183.13828	3.1
195.13869	11.2
205.10155	0.8
208.86919	0.6
211.13272	1.1
213.14821	0.9
225.12683	0.7
265.21951	0.9
287.05469	3.3
293.21204	9.1
309.20911	1.1
311.22278	100.0
312.22577	9.6
320.46176	0.7
323.23856	1.5
327.19748	2.3
341.82834	0.7
367.22632	3.8
385.24051	3.2
385.29941	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39241	1.4
57.03329	3.9
58.00459	1.5
58.74164	1.7
59.01252	17.4
67.41410	1.6
69.42749	9.6
69.43154	4.0
71.01262	3.5
80.96415	2.4
85.02827	3.6
87.04385	15.3
89.02335	5.3
91.03890	24.6
114.87782	1.7
129.05466	9.6
171.10130	1.8
183.13791	2.8
197.28552	1.6
223.16965	34.6
224.17343	2.4
235.17108	4.4
253.17831	2.0
275.20117	2.4
283.40457	1.8
293.21124	8.3
309.20892	3.1
311.22284	100.0
312.22623	9.2
327.21899	2.1
341.23260	2.2
353.30157	1.7
385.22052	9.9
385.26578	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83920	0.9
57.03318	1.9
57.54981	0.8
58.00494	0.7
58.53895	0.8
59.01250	6.1
64.64358	0.8
66.42874	0.8
69.10525	0.9
70.66502	0.8
71.07397	2.2
89.02319	3.5
91.03889	12.3
91.80154	0.8
99.08061	1.6
113.09617	2.8
117.44047	0.7
129.09103	3.3
137.09677	1.1
139.11162	2.7
153.12836	1.2
169.12260	2.1
171.10159	13.3
181.12270	3.5
183.13797	2.1
185.11780	2.0
193.12320	2.4
197.11763	4.6
199.13310	2.7
201.11296	2.4
211.13345	12.4
212.13652	1.2
247.02438	2.5
249.22101	0.9
275.20120	1.4
293.21228	13.8
294.21768	1.5
311.22275	100.0
312.22623	10.4
385.26001	4.0
386.23303	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	385.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	100.0
71.58181	28.1
78.95772	14.9
84.51765	15.1
88.50268	13.7
121.47650	15.3
229.69673	15.7
246.02356	14.6
381.60025	17.3
385.15421	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2596
Annotation	6-Deoxyerythronolide B
Peak:m/z	Relative Intensity
52.18688	0.7
53.10487	0.7
55.43905	0.8
57.03315	2.7
59.01251	12.7
67.59369	0.7
69.03302	0.9
71.01269	3.3
72.99185	1.5
73.02823	0.9
83.04893	1.1
85.02824	6.6
89.02310	3.4
91.03868	5.4
97.06468	0.9
99.07975	0.6
108.93635	1.2
113.09594	1.4
121.02855	1.1
123.08041	0.8
125.09599	1.9
129.01791	0.7
139.11183	5.5
147.02945	0.8
151.11186	1.7
153.09119	2.0
163.11171	0.9
167.14307	1.2
171.10156	6.0
181.12254	2.8
185.11707	1.2
191.01855	1.4
193.12315	2.0
197.11768	3.0
199.13380	1.3
205.12178	0.7
209.03015	1.1
211.13332	35.5
212.13673	2.1
217.25542	0.7
223.16910	0.9
249.22171	2.3
273.17020	2.3
275.20169	1.7
285.17108	1.4
291.19553	1.3
293.21213	57.6
294.21552	5.5
306.03430	0.7
309.20743	2.5
311.22235	17.8
312.22607	2.4
313.24176	0.8
367.24905	0.9
385.14713	2.4
385.25958	100.0
386.26334	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	385.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56971	0.6
59.01243	2.6
61.05348	0.5
71.49896	0.9
71.50228	0.6
78.95779	0.8
83.04897	0.7
85.02798	0.6
87.63048	0.6
89.02313	0.7
91.03876	2.0
96.95894	0.9
102.75459	0.6
103.01289	0.6
115.07484	1.1
121.02842	3.0
139.11287	0.8
147.04404	1.1
155.94650	0.6
167.14323	3.0
171.10216	3.8
183.13844	2.4
195.13857	10.2
196.14067	0.8
197.11768	1.3
211.13350	2.2
213.14944	1.7
224.04710	1.8
265.21564	0.9
283.22864	0.7
287.05582	1.5
293.21237	9.6
303.93393	0.8
309.20627	1.6
311.22272	100.0
312.22656	10.9
313.07230	1.0
357.11331	1.6
385.10623	3.9
385.26050	1.1
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
53.59731	0.5
59.01254	4.3
65.34293	0.6
69.29636	5.7
71.01263	1.0
72.38763	0.5
78.93556	0.5
85.02826	3.0
89.02292	0.7
91.03906	2.5
121.02868	1.4
122.03616	2.1
126.03107	0.8
135.04424	0.7
136.05208	1.2
167.14339	3.9
193.15926	1.5
207.17484	1.5
220.29245	0.6
223.20590	1.9
249.18594	8.4
267.19653	100.0
268.19955	7.4
275.16516	13.0
276.16888	1.8
293.17603	72.8
294.17880	6.1
311.18616	13.2
312.19067	0.9
367.21228	8.6
373.99820	0.7
385.22299	53.4
386.22574	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	385.2593
Annotation	6-Deoxyerythronolide B
Peak:m/z	Relative Intensity
57.03313	4.3
59.01254	15.2
63.64942	1.1
68.02400	4.9
69.88175	1.3
71.01247	4.6
71.29123	2.2
73.43909	1.0
78.99063	1.1
83.22692	1.1
85.02812	10.1
89.02307	4.6
91.03879	9.8
93.03302	1.3
96.95902	1.5
97.06528	1.2
98.15871	1.0
99.08044	1.5
113.09603	2.1
121.02844	16.2
122.03161	1.5
129.09105	1.4
139.11206	3.2
151.11224	1.9
153.09119	1.5
167.10748	2.1
171.10123	2.2
177.12762	1.7
181.12263	3.6
183.13824	1.4
185.11757	1.2
191.01944	2.9
193.05005	2.0
193.12199	1.4
197.11694	4.1
199.13245	1.8
211.13345	40.2
212.13704	3.1
212.70268	1.1
219.18639	1.0
249.22086	1.5
257.58099	1.2
262.92389	1.0
273.17139	2.6
275.20151	2.3
285.16843	1.5
291.19553	1.9
293.21216	46.1
294.21570	3.9
309.20602	2.9
311.22287	49.9
312.22559	4.0
313.07211	3.2
327.21759	1.6
385.09567	2.4
385.25946	100.0
386.26392	11.3
402.16791	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	385.2231
Annotation	Oleandolide
Peak:m/z	Relative Intensity
51.53640	0.4
52.01680	0.4
56.46273	0.5
57.03303	0.5
59.01251	5.0
62.82338	0.6
70.86619	0.7
70.86951	0.8
71.01251	1.1
73.02814	0.6
80.96427	0.8
85.02815	3.1
89.02313	2.0
91.03880	2.6
97.06464	0.6
98.19769	0.6
111.32538	0.5
113.64377	0.5
121.02838	0.9
122.03638	1.5
122.58075	0.5
125.02344	0.6
136.05203	1.1
167.14308	3.7
168.04141	0.8
191.01886	0.6
193.15904	1.5
207.17520	1.4
209.02994	0.5
211.13298	0.7
218.91331	0.4
219.14003	0.5
223.20665	1.9
231.17384	0.7
233.15532	0.6
249.18587	6.9
250.19011	0.7
267.19644	100.0
268.19946	9.4
275.16486	11.8
276.16669	1.0
293.12274	2.0
293.17575	70.5
294.12796	0.5
294.17883	7.1
311.18588	12.5
312.18991	1.3
367.21146	7.9
368.21722	1.1
380.55347	0.5
384.21323	0.5
385.22296	53.4
386.22644	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76784	0.6
55.01765	3.7
57.03325	6.9
58.00454	3.1
59.01249	53.3
61.34296	0.7
69.03338	0.9
70.27593	0.7
71.01252	77.2
71.56741	1.0
72.01583	1.3
72.99183	6.3
73.02815	13.7
75.00742	2.4
83.01251	8.0
83.04897	1.5
84.02037	2.1
85.02821	58.3
86.03175	1.2
87.00747	3.9
89.02316	35.9
95.01262	4.5
95.04897	1.9
97.02827	6.3
99.00761	7.4
101.02319	34.9
102.02663	0.8
105.06981	1.5
107.04922	1.4
108.05708	1.8
109.02837	1.3
109.06484	1.7
111.00769	10.3
111.04373	1.0
113.02324	26.8
113.05944	4.0
114.02676	0.8
119.03386	11.9
121.02837	1.0
121.06448	1.2
122.03618	2.3
123.04424	0.7
123.08038	5.4
125.02286	1.0
125.05955	2.7
129.01828	2.7
131.03416	1.8
133.01340	0.8
134.03662	1.1
135.04443	1.8
135.08038	1.3
136.03964	1.4
136.05229	3.5
137.02298	1.5
137.05927	1.3
138.06758	24.0
139.07549	13.1
141.00053	1.5
143.03401	2.8
147.02896	2.8
149.02309	0.8
149.04573	0.9
149.05899	1.1
151.07555	24.2
152.04709	2.2
152.08333	46.2
153.09117	100.0
154.09454	5.0
159.02924	3.5
161.02422	0.9
161.04454	14.8
163.11217	2.9
165.09126	2.6
167.07025	2.6
173.00858	3.0
179.03418	1.7
179.05531	2.9
179.06984	0.8
179.10680	0.9
187.11118	0.9
189.09235	1.1
190.09862	0.8
191.01894	21.3
191.10222	0.9
205.05048	1.6
205.12282	35.9
206.12566	1.7
209.02963	2.0
223.04477	13.6
223.13322	17.7
224.02393	1.4
224.04890	0.8
224.13680	1.0
229.12306	1.1
259.44861	0.8
263.47397	0.8
385.13947	1.9
385.18723	5.4
386.19308	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	4.2
62.02751	2.6
71.01244	8.0
71.02493	3.0
71.57362	3.5
75.86821	2.5
85.02821	4.5
89.02311	4.4
96.00623	2.4
104.10607	2.7
108.04427	2.7
129.01910	3.3
130.04160	34.5
131.04929	92.1
138.83064	2.6
149.05988	100.0
150.06305	4.8
162.89461	2.8
191.01674	2.9
323.16739	2.8
382.57639	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	385.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	25.4
69.03328	9.4
71.57671	2.2
83.04917	2.5
93.03341	5.2
99.08051	3.9
113.09607	3.8
119.04905	2.3
129.09097	2.4
135.24271	1.9
135.39645	1.9
147.11688	2.9
152.99500	6.4
163.11160	4.0
165.12743	2.0
167.10675	32.3
169.12254	2.0
181.12277	6.4
191.10701	8.2
193.08417	2.4
197.11736	19.1
203.71376	2.1
209.11772	18.5
227.12854	2.8
229.19557	4.8
231.09993	53.4
232.10393	4.1
238.49875	2.0
239.06996	3.4
240.67595	2.3
249.11145	14.0
249.14995	7.8
249.33318	1.9
250.11377	2.2
267.19696	16.0
275.09143	3.0
283.54449	2.1
291.19608	4.1
293.17688	9.5
309.20810	12.0
311.22229	3.0
327.21768	100.0
328.22006	13.3
331.18616	3.0
342.23059	2.8
349.19910	11.6
355.13480	3.3
357.11102	2.3
367.13474	6.8
385.10760	13.5
385.17560	48.4
385.22601	8.8
386.10831	2.7
386.17636	3.9
386.21930	5.1
405.27090	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68320	2.1
57.03311	4.1
59.01242	20.3
71.01258	16.2
72.99179	17.0
73.02816	4.2
75.00746	26.0
80.28934	2.6
81.25009	2.6
83.01239	6.0
83.04884	4.0
85.02824	20.3
87.00747	5.7
98.20491	5.9
99.00753	16.5
100.54877	2.2
107.34141	2.7
111.00737	4.9
112.98688	23.0
115.00237	4.8
124.98611	2.5
126.62131	2.6
129.01799	2.9
142.99771	40.7
154.99767	4.2
156.00557	6.9
164.14407	4.3
173.00827	18.8
174.01614	100.0
175.02321	7.7
177.73676	2.4
179.14330	3.4
190.12233	4.9
191.01820	4.2
195.13850	4.6
205.12267	6.0
207.13725	2.9
208.13341	36.4
211.13318	31.0
213.62645	2.6
222.14967	4.1
223.13303	25.4
229.23055	2.6
235.13377	4.6
237.14844	5.9
245.11629	2.7
245.38583	2.6
249.14905	3.5
250.14442	20.2
251.12891	3.6
263.12863	12.2
267.12381	26.3
279.12363	4.1
280.15674	2.6
288.16098	2.8
307.11810	8.3
325.12976	3.9
355.14136	15.0
367.13989	21.4
385.14853	9.0
386.18222	38.7
404.47766	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1503
Annotation	Icariside H1
Peak:m/z	Relative Intensity
53.43334	1.5
55.01748	1.7
57.03315	3.3
59.01249	53.9
68.99685	2.0
70.67262	2.4
70.67594	3.3
71.01241	10.0
71.73566	1.5
72.99178	3.5
73.02812	3.5
75.00736	2.4
81.03280	1.6
83.01255	5.2
83.04899	2.5
83.71472	1.5
84.04408	1.9
85.02827	21.0
89.02304	1.9
93.03322	3.3
95.04839	1.6
99.00763	7.4
101.02340	2.3
109.02818	2.2
109.06461	4.2
111.00775	2.4
113.02313	2.1
121.06462	6.6
124.98684	4.0
125.02328	2.2
129.01839	2.6
135.04285	1.5
137.02228	2.8
137.05980	1.9
138.03114	3.5
142.99768	23.8
154.99788	10.6
157.07565	3.3
173.00862	15.0
174.01567	4.8
183.00943	1.9
183.13818	1.7
191.01952	3.9
195.13785	2.2
197.12842	5.5
205.12303	2.1
205.15787	1.7
207.13826	1.8
209.02997	2.7
209.11789	8.3
211.13335	20.9
211.16917	5.0
215.13945	2.9
221.11736	2.9
221.15422	2.9
223.13335	3.0
223.17027	1.4
227.16528	1.7
237.14906	14.8
239.12794	3.4
239.16479	16.7
241.11882	2.4
247.13335	2.8
249.11179	2.0
249.15039	11.4
251.16432	4.2
255.16020	7.9
265.14478	6.1
267.12347	15.3
267.15958	4.6
277.14481	2.6
283.15460	2.2
295.15536	3.0
311.11328	4.1
311.14749	3.2
323.15164	1.8
355.13974	79.9
356.14288	6.8
367.13611	2.2
385.15009	100.0
386.15231	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	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	2.2
59.01252	100.0
60.01593	1.6
68.96033	0.6
69.37437	0.9
69.37843	4.8
71.01247	4.9
72.99181	2.1
73.02833	1.2
75.00745	0.8
83.01283	0.7
85.02819	10.5
89.02316	3.8
93.03336	2.0
99.02764	0.6
101.02314	3.0
111.00746	1.1
112.98714	1.5
113.02351	1.8
115.00256	0.6
119.03407	0.7
132.46558	0.7
134.03691	0.7
142.99771	1.5
149.02258	0.7
173.00870	1.0
174.01619	4.9
175.02475	0.9
187.11232	1.0
191.01939	2.9
205.05133	1.3
205.12343	1.6
209.02991	1.9
211.13371	1.6
213.55853	0.7
223.13319	1.0
267.12509	1.5
284.06235	2.4
297.04382	0.7
305.06870	1.2
355.12903	1.3
385.14368	1.8
385.18939	1.3
405.06735	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52581	0.6
57.03323	1.5
59.01250	100.0
60.28404	0.6
60.35239	0.6
60.70559	0.6
67.58087	0.7
71.01250	4.1
73.02800	1.0
74.41126	0.6
75.00742	1.1
85.02831	8.5
89.02328	2.4
93.03345	1.2
96.95874	0.9
101.02362	3.0
111.00793	1.3
113.02353	2.0
135.76402	0.7
147.02963	0.7
173.00925	0.8
180.63951	0.7
191.01910	2.0
209.02960	1.6
209.11865	2.2
265.45990	0.7
284.06186	0.8
299.16174	1.1
391.88217	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00950	4.8
59.01249	100.0
70.16811	11.5
71.01237	7.3
72.99185	4.7
78.95786	4.8
84.02908	2.5
85.02818	4.5
89.02303	2.8
112.98714	3.6
118.34756	2.1
123.08004	2.6
129.01817	3.4
142.99760	5.7
146.14871	2.3
148.15598	2.5
152.99469	3.7
173.00806	5.3
174.01651	14.0
176.81285	2.6
211.13242	7.8
223.13280	3.6
267.12451	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88170	2.2
52.73569	2.0
55.01769	2.7
57.03316	7.8
59.01254	27.1
68.99676	2.4
69.03332	2.7
71.01246	19.6
71.57866	3.2
72.99184	14.6
73.02818	4.2
75.00745	71.6
79.95630	2.0
80.96365	2.7
83.01258	4.7
83.04878	3.5
85.02831	30.1
87.00766	14.3
89.02270	4.2
93.03355	2.2
95.04896	3.6
96.95871	2.1
97.02854	3.1
97.06458	2.5
99.00755	15.3
99.86410	2.6
101.02327	3.3
109.06477	3.0
111.00753	6.8
112.98695	23.6
113.02325	2.8
115.00265	3.6
117.01895	3.7
124.98704	5.3
129.01886	3.9
132.47386	2.3
135.02879	2.7
142.99770	42.7
147.02933	2.1
147.04422	2.1
152.36540	2.2
153.09151	2.7
154.99756	11.0
156.00546	4.3
157.10315	2.0
164.07042	2.8
164.14369	15.7
171.10158	2.2
173.00850	28.7
174.01622	84.7
175.02281	6.7
177.21857	2.2
179.14305	3.4
181.20248	2.4
183.13847	4.0
190.12254	10.5
191.01930	6.3
195.13766	4.2
199.13300	5.0
204.14012	3.9
205.12213	4.0
208.13373	77.5
209.02957	4.2
211.13341	33.5
212.13763	3.1
221.11684	3.3
222.14970	12.3
223.13284	21.9
232.13464	5.1
235.13411	3.1
237.14932	9.1
239.12654	3.1
239.16515	3.0
249.14832	4.6
250.14474	57.6
251.12917	2.4
255.15964	5.0
263.12839	8.4
267.12372	23.6
268.13034	2.3
278.17636	3.4
279.12357	2.2
288.16086	11.5
292.15518	4.1
304.87659	2.2
305.14017	2.4
305.53964	2.9
307.11859	8.3
311.11407	3.1
325.12955	3.7
349.12802	3.5
355.13995	42.0
356.14185	5.1
367.13885	15.5
368.17145	7.0
385.15018	14.6
386.18256	100.0
386.23157	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	385.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	8.0
58.00454	3.2
59.00947	3.0
59.01249	57.0
67.31303	2.2
68.61079	1.8
69.84461	10.0
71.01252	36.9
72.99174	12.5
73.02817	4.3
75.00748	4.7
83.01253	4.9
83.04916	5.2
84.99149	2.0
85.02815	43.6
85.23235	2.1
87.00742	3.9
89.02320	27.1
92.62022	2.3
93.03345	3.3
95.01249	4.6
96.95877	3.9
97.02835	2.4
99.00744	5.9
101.02328	16.4
111.00766	3.6
112.98680	6.6
113.02309	20.6
119.03389	7.8
120.05640	4.6
129.01836	2.7
133.10110	5.9
135.11671	16.2
139.03894	2.1
142.99763	8.4
143.08574	3.5
146.07251	6.3
149.02382	2.0
152.04611	3.8
159.08070	2.5
159.11702	3.7
161.04478	2.4
161.09622	43.9
162.09911	2.3
165.75720	2.2
173.00804	5.3
173.07089	5.1
174.01595	26.3
175.02371	4.2
177.12750	2.9
179.05508	3.3
179.10696	100.0
180.11098	5.5
191.01909	10.0
203.10704	11.3
205.08749	2.7
205.12245	3.0
209.02910	4.8
211.13354	14.8
221.11833	6.0
223.09714	56.8
223.13110	12.6
224.09972	3.4
242.93713	2.3
263.12823	7.3
265.10843	2.2
267.12366	4.7
285.13440	3.2
305.14072	2.9
307.11649	4.3
309.08658	6.2
311.14990	4.9
318.55112	2.2
325.12851	3.1
327.12708	4.4
335.61414	2.3
367.13757	6.5
385.14346	4.6
405.99600	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54852	1.1
57.03314	1.4
58.02843	2.9
59.01252	13.5
64.10710	0.9
68.02415	10.3
70.54206	1.2
71.01256	6.6
71.57532	1.5
72.99188	1.1
73.02818	21.0
74.02345	1.8
82.02866	2.5
84.04424	11.2
85.02818	15.0
86.02337	1.4
87.00787	1.0
89.02335	1.7
93.03338	82.4
94.03675	3.3
97.25457	1.1
99.05503	1.9
101.02316	2.9
101.07080	8.0
109.03968	8.7
111.00764	1.5
113.02334	1.9
118.02881	6.8
119.03396	1.3
119.04910	11.3
120.04404	1.3
121.02839	2.3
127.05026	91.9
128.03430	14.7
128.05388	1.5
133.01457	1.0
136.03889	3.1
136.07585	3.3
137.02335	2.1
137.07898	1.6
147.41406	1.1
153.02992	3.9
153.09093	1.9
160.07611	2.3
161.04449	2.1
162.05542	1.3
164.03452	1.3
175.26657	1.2
178.08667	3.2
179.08948	1.9
186.05537	2.9
190.08644	1.4
191.01913	4.3
204.10246	3.8
209.02916	3.4
209.11920	1.1
219.11414	2.8
221.12910	9.1
224.02246	3.5
247.10866	69.5
248.09047	6.0
248.11293	3.2
265.11920	95.5
266.12189	5.6
269.10193	1.8
273.08804	4.3
291.09848	12.2
323.13937	4.9
341.14896	1.9
367.12982	12.6
368.13281	1.7
385.14053	100.0
386.14383	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	385.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03293	1.1
58.02854	5.4
59.01234	1.8
61.37806	1.0
62.11289	0.9
70.02836	1.1
70.93278	2.6
71.01229	1.5
74.02344	3.6
76.93467	1.0
82.02843	3.6
84.04410	14.3
85.02822	3.8
86.02354	1.5
93.03331	100.0
94.03671	3.5
99.05502	3.1
101.07091	13.9
106.04099	1.7
109.03958	9.3
118.02853	6.5
119.04919	16.3
127.05020	98.8
128.03423	13.0
128.05382	1.8
131.74060	1.2
136.03918	4.6
136.07596	1.3
142.60497	1.1
145.06235	1.2
153.02959	3.1
160.07602	2.2
162.05472	2.2
178.08600	1.1
186.05522	1.4
190.08701	1.9
204.10225	2.9
209.03008	1.3
219.11339	3.3
221.12958	7.0
247.10838	57.6
248.09177	4.2
248.11214	3.5
260.31839	1.1
265.11917	85.6
266.12271	6.3
273.08762	3.0
285.91556	1.1
291.09918	10.0
300.05350	1.1
323.13995	4.3
341.14981	1.7
366.53616	1.2
367.13040	7.7
368.13300	1.7
385.14038	75.3
386.14468	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	385.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19242	0.5
57.03318	0.7
57.99891	0.5
59.01254	3.3
69.32667	3.5
69.33091	1.8
70.02837	0.9
70.41102	0.6
71.01254	1.9
72.99164	1.4
74.02339	1.0
75.00741	0.6
82.02863	4.9
84.04415	12.0
84.04877	1.1
85.02834	6.1
86.02332	0.8
89.02260	0.7
93.03336	100.0
93.80832	0.5
94.03683	4.2
96.95872	1.0
98.02333	2.2
99.00756	0.9
106.04121	1.0
107.55621	0.6
108.02030	1.2
111.03124	1.2
111.54547	0.6
112.03913	2.4
116.03427	4.2
118.02868	5.6
120.04443	21.6
121.02862	0.8
121.04810	0.7
128.03419	11.3
136.03938	6.9
137.02321	1.6
142.99762	0.9
148.03943	3.8
150.05453	0.9
160.07603	0.7
162.05522	6.8
164.07060	0.8
169.04413	1.0
173.00795	1.0
174.01602	2.2
174.05548	0.7
176.07082	1.1
178.08675	1.3
179.10666	1.6
190.08691	0.8
191.01895	1.0
191.08205	1.3
192.10098	0.7
193.07153	0.7
204.10393	0.8
205.09737	3.4
209.02921	1.2
211.13290	1.8
215.05820	0.7
217.09772	8.0
218.08107	1.3
219.11340	4.7
221.12927	9.6
223.06471	0.8
223.09648	1.4
223.13319	1.8
231.07672	1.9
233.09155	0.9
235.10864	4.3
245.09395	3.0
247.10851	65.8
248.09212	2.3
248.11430	3.8
263.12842	0.6
265.11914	67.9
266.12231	5.3
267.12262	1.5
291.09885	8.4
311.15021	1.4
341.15009	8.4
367.08307	1.0
367.12970	16.7
368.13306	2.2
385.14008	57.2
386.14432	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	385.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43813	1.6
57.03327	16.4
59.01254	15.7
61.11197	1.6
71.01260	10.7
71.56071	2.1
72.99185	9.0
75.00758	3.1
78.95731	2.1
83.01283	2.5
84.02019	1.9
84.89548	1.6
85.02826	100.0
87.00762	6.9
89.02310	3.5
101.02304	2.5
103.00243	5.9
111.00782	4.9
113.02299	4.2
119.04938	12.2
123.44281	1.8
128.98772	1.8
129.01840	35.2
133.01326	2.7
134.03647	2.6
147.02914	5.6
163.03911	13.7
191.01894	24.5
193.03479	6.6
209.02980	20.4
323.17987	2.1
367.05338	5.0
385.06158	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	385.1139
Annotation	1-O-Sinapoyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.15572	0.3
57.03346	0.4
59.00206	0.3
59.01247	4.8
65.00214	0.4
70.97079	0.6
70.97437	0.7
71.01254	4.0
72.99177	0.6
85.02822	5.1
89.02298	1.8
91.01780	0.5
93.03337	1.3
95.01259	0.6
98.42007	0.3
101.02312	2.1
105.09483	0.4
107.94626	0.3
109.02863	0.3
111.00769	2.7
113.02322	1.1
119.01277	2.5
119.03426	0.8
121.02839	6.4
129.01796	0.6
134.03615	0.5
135.04411	3.0
136.01534	0.5
137.02333	0.9
147.00777	1.4
147.02930	0.6
149.02342	38.9
150.02702	1.5
151.03905	0.9
152.01064	5.3
154.99838	0.4
162.03244	0.5
163.03891	5.1
164.04698	30.5
165.01874	2.6
165.05032	1.7
167.03432	0.9
169.04990	3.4
173.00856	0.8
175.00281	14.0
176.00591	0.7
179.03438	0.4
179.07062	10.6
180.07451	0.7
181.08623	0.5
189.01723	0.4
190.02637	35.2
191.01659	0.8
191.03308	1.9
193.01343	16.2
194.01588	0.7
205.04997	56.9
206.05405	4.2
206.99312	0.4
207.02995	0.5
208.03702	32.7
209.04240	1.9
221.08075	0.9
223.06064	100.0
224.06395	7.1
232.03902	0.4
247.06061	3.2
248.06322	0.4
265.07080	2.6
295.08099	0.5
325.09189	1.3
363.57309	0.4
375.63754	0.4
385.11328	4.3
386.11816	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1138
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
50.74984	0.3
51.13146	0.3
51.69123	0.3
55.01755	0.8
57.03323	4.1
58.59322	0.3
59.01252	3.2
66.62029	0.3
67.01760	0.4
68.99678	0.6
71.01252	3.9
71.05730	0.5
71.06068	0.7
72.99185	2.0
73.02827	0.4
75.00745	1.4
83.01238	1.6
84.02040	1.1
85.02821	38.7
86.03154	0.7
87.00775	0.5
89.02312	1.3
93.03341	1.4
101.02323	0.8
103.00249	0.5
106.37568	0.4
109.02871	0.3
111.00759	10.3
115.00266	0.4
121.02840	14.3
123.04394	0.5
125.83564	0.3
126.87408	0.3
129.01845	3.5
131.04977	0.6
133.01329	1.0
133.04974	0.5
134.03648	2.7
135.04433	3.0
137.02351	1.4
139.03885	0.5
147.02885	3.4
147.67940	0.3
149.02341	95.5
150.02690	3.7
151.03903	0.6
152.01053	5.4
154.99747	1.0
162.03183	0.5
163.03918	4.6
164.04695	80.8
165.01837	1.2
165.05034	3.7
167.03416	1.4
169.04967	1.8
173.00822	4.2
177.05461	0.3
179.07051	24.1
180.04225	0.4
180.07381	1.3
190.02705	0.4
191.01909	11.5
192.02235	0.4
193.01349	10.6
193.05037	0.5
193.93340	0.3
194.01881	0.5
205.05231	0.3
208.03705	25.6
209.02887	15.5
210.03334	0.5
214.17270	0.3
222.05243	0.6
223.06062	100.0
224.06416	6.3
265.07117	1.4
275.72241	0.3
291.37827	0.4
385.11404	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.9
57.03319	8.4
57.27547	0.4
59.01249	3.8
67.31283	0.4
68.99669	0.5
70.86703	1.0
71.01257	1.9
72.99178	1.5
75.00752	1.0
79.15852	0.5
80.81963	0.4
83.01262	1.9
84.02039	2.6
85.02822	100.0
86.03156	2.1
101.21620	0.5
103.00244	2.3
111.00791	3.4
113.20295	0.4
115.00250	0.5
126.17850	0.5
129.01833	11.8
133.01314	0.6
134.03627	1.5
147.02896	17.1
148.03123	0.5
149.02328	1.2
164.04652	1.5
173.00821	2.6
179.07008	0.7
191.01901	36.8
192.02354	1.0
193.04985	2.1
209.00983	0.8
209.02974	16.6
210.03322	0.8
223.06084	4.1
312.12939	0.5
343.71069	0.5
375.30609	0.5
385.07709	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93937	0.7
55.01751	2.3
57.03083	0.8
57.03329	11.3
59.01250	8.5
63.43638	0.7
68.99672	1.2
71.01254	9.1
71.05418	1.7
72.99178	3.3
75.00741	3.5
77.11344	0.7
78.24454	0.6
83.01255	2.7
84.02047	2.6
85.02822	100.0
86.03162	1.4
87.00748	1.2
89.02313	3.4
93.03328	0.7
99.00736	0.8
101.02310	1.4
103.00249	2.3
111.00764	9.1
115.00256	1.0
115.90044	0.7
121.02834	7.0
129.01826	8.4
131.04939	2.5
133.01303	3.2
134.03618	4.8
135.04370	1.5
137.02365	0.7
147.02890	12.8
149.02348	45.8
149.05905	4.7
150.02710	2.2
152.01074	2.9
154.99699	0.7
163.03886	2.8
164.04701	38.0
165.01836	0.8
165.05048	1.2
169.04980	0.9
173.00862	4.7
179.07079	14.5
180.07430	0.6
183.03680	0.7
191.01892	40.6
192.02246	1.0
193.01344	9.0
193.05011	1.9
208.03711	17.7
209.02959	64.5
210.03348	2.4
223.06071	88.0
224.06480	4.2
253.49814	0.7
265.07043	0.7
266.96414	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77053	1.1
52.63982	1.1
53.09014	1.1
55.01752	2.3
57.03323	13.5
59.01240	6.8
62.64226	1.0
67.70107	1.0
71.01250	4.9
72.99182	1.4
75.00751	1.5
77.07457	1.1
77.27434	1.0
81.59547	1.0
83.01270	2.0
84.02065	2.1
85.02823	100.0
86.03177	1.8
87.00775	1.6
88.47198	1.0
89.33182	1.1
98.19942	5.2
103.00294	1.5
111.00775	3.3
129.01848	7.3
134.03638	3.8
145.42242	1.2
147.02885	10.5
173.00813	1.5
182.99225	1.2
191.01891	22.2
193.04915	1.8
209.02933	12.1
225.34238	1.4
246.27553	1.1
263.44751	1.2
313.56329	1.0
339.57867	1.0
348.11600	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	14.0
59.01237	14.3
60.64901	9.6
65.43491	11.8
71.56968	11.1
71.57321	15.1
73.82085	9.0
76.11915	9.7
85.02812	100.0
95.54035	10.1
125.53640	10.3
129.01811	17.6
140.29823	13.1
149.05986	14.1
156.22421	9.6
160.22235	10.2
181.81232	9.1
181.89397	9.8
184.33333	11.2
191.01915	25.5
192.27760	11.8
198.09224	9.9
209.02972	55.0
217.99742	9.0
240.88687	9.2
248.00488	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	385.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	2.0
57.03323	11.9
58.00463	0.5
59.01249	6.6
59.69633	0.5
68.99680	1.1
69.54020	0.7
69.54423	2.9
71.01255	6.7
71.46383	0.4
72.99183	2.0
73.02852	0.9
75.00738	2.0
78.43052	0.4
83.01253	3.2
84.02033	2.3
85.02821	100.0
86.03162	2.1
87.00735	1.6
89.02321	1.9
92.00705	0.4
98.20500	1.0
99.00743	0.7
101.02322	0.8
103.00237	1.7
105.42626	0.4
111.00759	5.4
115.00236	0.9
121.02806	0.7
129.01833	7.9
133.01326	1.9
134.03632	3.9
134.87886	0.4
135.04391	0.5
138.23973	0.4
147.02895	8.5
148.03127	0.5
149.02332	4.8
150.03101	0.4
152.01147	0.6
164.04683	4.6
165.05107	0.6
173.00797	2.5
179.07027	1.5
191.01900	27.8
192.02223	1.2
193.01379	1.1
193.04996	1.7
208.03693	2.4
209.02971	41.0
210.03291	1.4
223.06065	8.5
385.07651	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2393
Annotation	Buspirone
Peak:m/z	Relative Intensity
50.33752	0.5
57.03317	2.2
58.02835	1.1
59.01248	3.9
59.58035	0.5
65.03832	1.0
69.03337	0.6
71.01250	1.7
71.04893	0.9
71.57441	0.6
72.99161	0.4
73.02830	2.9
75.00730	0.8
80.04932	1.0
81.03329	2.4
82.02850	0.8
83.04890	2.3
84.02035	1.1
85.02824	5.4
89.02327	0.8
93.03354	0.6
95.04890	3.5
97.02824	0.9
97.06451	1.6
98.05982	1.7
99.00684	0.5
99.04402	0.6
109.06454	1.0
110.06003	2.2
111.04415	0.7
111.08054	1.3
112.03951	0.8
113.05985	0.9
118.06495	3.7
118.96629	0.5
120.30901	0.5
123.08035	1.1
124.13419	0.5
125.05997	0.8
125.09599	2.8
126.05504	13.8
126.09114	0.6
127.05884	0.6
127.11166	3.3
141.09161	0.7
153.09212	0.5
155.10675	0.6
157.08615	1.0
158.09674	0.6
163.11182	0.5
165.12772	1.5
167.14314	1.1
168.06557	1.1
171.10181	29.5
172.10509	1.1
176.10793	0.6
177.12802	1.3
179.10620	0.5
183.01033	0.5
183.13853	1.4
185.11760	2.9
191.01913	0.5
191.10597	0.6
193.12332	0.7
194.08302	0.7
195.13795	0.5
197.11778	3.2
199.09659	1.0
201.11264	8.1
204.88496	0.4
207.09982	0.6
209.11774	5.2
211.13319	10.9
213.11375	0.7
215.12827	2.5
221.11763	3.7
222.14960	2.2
223.13275	0.8
226.14323	0.5
227.12860	1.4
229.14404	15.1
230.14674	0.8
233.11516	2.5
237.11409	0.5
237.14980	1.9
239.12811	7.6
246.58051	0.4
247.13277	0.5
249.14990	0.8
251.12587	0.8
255.15965	1.1
257.13959	3.2
261.11148	0.6
263.16565	2.7
265.18002	0.6
271.15375	0.5
272.16644	0.6
273.17059	3.3
274.17844	0.6
286.16821	0.4
291.19519	0.5
303.19702	0.9
304.19183	1.5
305.17520	1.4
307.19247	0.7
310.16629	2.4
321.20746	0.5
322.20279	1.2
323.18570	1.1
325.20319	0.8
327.21768	7.1
340.21475	0.9
341.19431	2.5
348.18164	0.8
349.19925	3.8
357.22638	0.6
366.19028	1.8
366.23026	1.9
384.23944	100.0
385.17670	5.2
385.24283	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	384.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49998	1.4
51.27063	1.4
57.03307	2.6
59.01255	3.8
71.01248	3.0
71.06145	4.0
78.95778	43.6
83.64954	2.0
88.04432	1.6
89.02319	1.9
96.96863	1.7
97.06469	12.1
101.02342	2.0
109.61119	1.5
121.02856	12.2
122.00081	1.6
123.08019	7.6
123.67541	1.4
125.09618	100.0
126.09962	5.5
140.01070	11.4
152.99489	12.5
169.08592	2.8
187.09694	87.3
188.10037	4.7
196.03738	10.4
208.08125	1.4
214.04723	2.3
281.97189	1.4
297.11145	4.0
298.39099	2.0
331.87885	1.5
350.85577	1.7
384.14310	47.4
385.14661	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	383.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02866	1.4
58.79731	1.1
59.01254	100.0
60.01580	1.3
62.92570	1.1
71.29477	1.7
73.53347	1.0
75.82790	1.2
77.33752	1.1
87.65513	1.2
131.68138	1.2
152.99478	1.8
159.51862	1.1
168.87646	1.1
170.11816	1.9
175.37715	1.1
183.13974	1.1
185.63326	1.1
195.13799	2.7
210.56212	1.1
223.07495	1.4
305.22452	3.4
309.20740	7.5
323.23413	16.3
324.23706	2.3
325.20328	1.4
365.12137	1.9
383.12769	12.3
383.20441	2.0
384.13480	1.9
384.24304	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	384.112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63088	0.3
59.01248	0.8
66.00837	0.4
68.02409	100.0
69.02122	0.4
69.02741	1.2
70.14722	1.2
74.79977	0.3
76.62958	0.3
76.83834	0.3
85.02813	0.4
108.02051	2.5
126.99441	1.4
146.07817	0.3
152.08218	1.9
153.85828	0.2
183.01260	0.3
219.02132	1.2
253.83505	0.3
270.04340	0.3
325.18481	1.3
326.18839	1.6
331.90851	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	3.7
59.01257	0.8
67.94796	0.7
69.03310	0.9
69.40883	3.0
69.41310	3.3
71.01241	0.9
75.47198	0.7
78.95779	8.1
83.04865	1.0
90.20618	0.7
95.04886	0.9
96.95891	1.2
97.06474	10.2
98.06766	0.7
98.20546	1.4
101.75258	0.7
123.08063	7.5
125.09618	84.5
126.09942	3.9
140.01062	3.1
143.10707	1.9
152.99466	1.5
169.08606	2.5
187.09685	100.0
188.10020	2.6
196.03731	1.9
214.04712	3.9
216.80942	0.7
278.44128	0.8
288.82117	0.7
305.83832	0.7
359.87048	0.7
359.93124	0.7
384.14294	27.0
385.14789	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	383.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81803	0.6
57.03319	1.6
59.01263	3.2
65.03816	0.6
67.59499	0.8
69.03339	0.9
70.33069	2.9
71.01262	1.3
71.04901	6.3
72.99175	2.5
75.00760	2.5
81.03348	0.7
83.65709	0.6
89.02343	1.5
91.03874	2.6
95.04919	1.4
97.06472	3.0
107.04906	2.1
109.06436	0.7
119.08509	1.1
121.10123	4.1
125.09634	5.5
133.04015	1.2
133.04973	14.1
135.08043	1.8
137.09630	24.7
138.09955	0.9
141.12782	1.0
145.95010	0.6
152.99495	0.8
160.06378	0.7
171.10188	36.2
172.10493	1.7
185.11751	9.1
197.11771	1.7
207.17509	1.2
209.11797	1.0
217.15866	0.9
219.13834	0.9
233.15485	0.7
235.17004	1.2
235.28554	0.6
237.14972	1.8
247.20740	0.9
251.16516	37.9
252.16881	2.7
273.18677	1.0
289.18057	0.7
291.19675	56.3
292.20004	3.9
309.20715	100.0
310.21008	8.8
325.20261	1.2
365.23566	0.8
383.11542	5.6
384.12442	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08492	0.7
57.03330	1.1
59.01249	2.6
60.07519	0.9
71.04893	7.5
71.57878	1.1
74.02033	0.7
78.82217	0.8
83.04892	0.8
89.02286	1.3
91.03885	4.5
95.04890	0.9
97.06459	3.9
100.97259	0.7
107.04891	1.7
119.08524	1.1
121.10106	3.7
125.09598	3.7
127.07544	0.8
137.08566	1.1
137.09615	20.2
138.09995	1.2
151.11185	1.5
157.08665	0.9
165.12791	1.2
171.10184	29.4
172.10460	0.9
185.11757	4.9
197.11713	0.7
207.13895	1.0
207.17393	1.1
209.11670	1.2
211.13339	1.4
219.13947	0.9
223.07524	1.6
235.16989	1.6
237.14986	1.5
247.20589	0.9
251.13896	1.5
251.16505	28.1
252.16750	2.1
265.05347	1.2
272.39957	0.8
283.06461	3.0
291.19644	43.5
292.20081	3.2
304.26678	0.7
309.20703	100.0
310.21072	10.7
313.00162	0.7
359.00891	0.8
383.12863	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	383.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.6
59.01254	40.7
65.24259	2.2
69.27021	2.6
69.60641	19.7
71.01252	3.5
74.36556	2.3
85.02828	2.6
86.69810	2.1
89.02334	3.0
91.03895	13.0
93.03358	2.8
94.45712	2.6
97.02847	5.5
98.19832	5.0
125.09650	3.0
137.09642	4.2
171.10243	6.2
180.86769	2.4
195.13824	8.9
207.13853	3.3
223.17018	11.2
225.14832	3.0
233.15411	14.0
237.15053	3.7
249.15160	3.1
251.16507	69.7
252.16696	4.2
291.19678	30.1
292.20010	4.1
309.20706	100.0
310.21124	6.3
383.13019	7.5
383.24585	4.0
385.69492	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	383.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33239	0.7
57.03310	1.7
59.01248	4.7
69.03313	1.3
69.28622	0.7
69.53919	3.1
69.54338	2.4
71.01248	1.1
71.04901	4.5
71.90115	0.7
78.95766	1.1
81.03302	0.8
81.08969	0.7
83.04892	1.6
89.02319	1.7
91.03880	3.0
93.03360	5.7
95.04836	0.9
97.06462	2.5
107.04922	1.2
111.08012	0.9
121.02788	0.8
121.10113	1.5
121.91988	0.9
123.07981	1.2
125.09647	3.6
135.08073	1.2
137.09636	11.0
143.04869	1.1
147.04430	1.1
151.11194	3.3
152.99507	0.7
160.05139	1.0
168.18149	0.7
171.10202	14.7
185.11714	3.1
197.11763	1.0
207.17447	1.4
208.05231	1.0
209.05994	1.4
209.11873	0.8
210.35434	0.8
211.07611	2.4
213.14847	0.9
221.06023	1.5
222.06631	1.3
223.07590	20.4
224.07933	1.7
237.14934	1.2
243.66916	0.8
251.13892	1.6
251.16515	31.2
252.16783	1.9
264.07846	1.1
289.08636	1.5
290.09412	1.1
291.19678	32.7
292.19983	2.3
309.20718	100.0
310.21063	9.6
317.89441	0.8
325.20184	1.3
347.51169	0.9
353.11823	3.1
354.12497	2.5
355.13522	5.3
383.12836	53.0
384.13229	8.0
388.16727	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	8.7
69.24743	19.6
69.25161	8.6
71.04890	3.0
84.76761	2.3
85.89391	2.3
89.02319	5.0
91.03876	10.4
98.19776	5.0
98.25806	2.6
111.29041	2.0
150.15344	2.2
163.67772	2.0
164.79778	2.2
171.10242	3.2
195.13834	7.7
207.13857	3.2
207.17459	4.6
221.15369	5.2
223.16998	18.9
233.15424	10.4
235.17012	3.1
247.20494	2.8
251.13882	4.4
251.16501	89.5
252.16754	5.7
263.22601	2.4
278.43164	2.2
291.19675	24.7
309.20715	100.0
310.21103	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	383.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.5
58.00450	0.9
59.01255	15.2
68.02396	1.0
69.03338	2.2
71.01245	4.8
71.57657	1.6
71.58028	1.5
72.99196	1.7
73.02809	1.5
83.04887	2.5
89.02322	5.2
91.03881	17.3
93.06978	1.4
95.04925	1.1
97.02857	1.6
97.06470	1.4
101.02325	2.1
109.06441	1.1
111.08042	38.5
112.08366	1.1
113.02319	3.1
125.09638	1.0
137.09605	1.4
151.11153	1.7
159.32643	1.0
161.04584	1.1
165.12740	2.7
167.81529	1.0
169.12276	7.6
171.10207	2.5
175.77782	0.9
179.10695	1.1
181.12259	1.4
183.10240	1.0
183.13823	2.0
197.11769	96.1
198.12071	6.0
199.13377	7.1
204.86470	1.1
209.11774	2.4
211.13313	8.3
225.14925	3.6
227.12817	8.7
247.20639	2.2
251.16602	1.6
263.20135	8.8
265.18100	5.1
273.18671	2.8
276.83951	0.9
289.18073	2.1
291.19678	55.8
292.19955	5.7
309.20706	100.0
310.21063	8.7
311.22119	2.7
341.10983	2.6
351.43634	1.3
371.08530	1.2
383.19144	2.1
383.24512	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00461	3.2
59.01248	20.7
69.03319	1.1
71.01254	6.7
72.99155	1.6
73.02814	2.1
83.04916	2.6
87.00750	2.0
89.02314	10.8
91.03879	28.1
93.03330	1.3
96.01901	4.2
97.06480	1.3
100.46371	1.3
100.74074	1.1
101.02271	2.6
109.06501	1.4
111.08041	36.6
113.02308	2.7
127.07513	2.9
128.99181	3.5
129.99571	1.7
137.02325	2.8
151.11174	1.3
153.12825	1.7
156.04103	3.6
157.04436	1.9
167.14349	1.2
169.12262	6.7
171.10233	2.3
179.10678	1.7
181.12241	3.0
183.13829	2.2
193.12233	2.0
197.11758	100.0
198.12073	5.8
199.13289	6.7
211.13367	11.9
227.12833	3.9
263.20135	11.5
265.18073	4.2
273.18594	2.2
285.05704	1.7
291.19653	52.1
292.19943	3.8
309.20706	91.1
310.21100	9.7
322.18039	2.8
323.09567	1.3
340.19144	4.3
341.10751	2.7
383.13516	1.4
383.19540	1.5
383.24286	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	383.244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35366	1.1
57.03329	1.4
59.01245	8.0
69.03328	1.8
71.01245	2.3
71.04887	4.3
71.57552	2.3
78.37352	1.0
87.04395	2.6
91.03897	7.0
93.56936	1.1
96.99060	1.0
97.06441	1.9
112.05147	1.0
112.15193	1.1
171.10184	2.1
189.16393	1.7
195.13824	7.6
207.13905	2.7
207.17467	3.8
215.14378	1.2
221.15436	10.8
223.17023	16.6
229.19522	2.0
233.15428	12.0
235.16948	3.6
251.16513	66.8
252.16827	4.4
273.18591	7.8
291.19678	30.4
292.19980	2.6
309.20715	100.0
310.21014	8.0
325.20316	7.0
361.96606	1.3
368.31213	1.1
383.16135	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99563	0.6
54.58152	0.5
57.03318	0.7
58.00467	1.5
59.01252	13.1
64.11286	0.6
65.61033	0.6
69.03326	1.6
71.01254	3.7
73.02832	1.9
73.64720	0.6
74.85322	0.7
83.01254	1.0
83.04873	0.8
85.02826	1.4
89.02322	6.1
91.03886	15.9
93.06951	1.3
95.04922	1.0
97.02831	2.5
97.06446	1.2
101.02326	1.9
106.04140	0.7
107.72625	0.6
109.06485	1.0
111.08042	35.4
113.02310	2.1
119.08553	1.4
124.47796	0.8
125.09561	1.6
137.09618	4.6
139.11131	1.1
149.04605	0.7
153.12709	2.2
163.11169	1.8
165.12750	2.7
169.12247	6.0
171.10158	9.1
172.10619	0.8
179.10710	0.9
181.12277	1.4
183.13773	2.2
185.11789	1.3
187.76837	0.9
197.11765	82.5
198.12050	4.8
199.13342	7.2
209.11699	2.7
209.15179	0.8
211.13300	6.4
221.11693	0.7
225.14984	0.8
227.12842	9.7
243.88940	0.6
247.17020	0.8
247.20662	2.6
248.08905	0.7
251.16487	1.1
263.20206	7.1
265.18118	4.9
267.54108	0.7
273.18619	4.0
291.19656	51.2
292.20007	5.3
309.20703	100.0
310.21130	9.3
311.22211	2.7
341.10922	1.6
347.23001	0.7
355.21231	0.9
383.24179	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01589	1.7
66.92053	1.1
69.91860	4.8
71.01265	4.0
73.02825	1.6
74.67381	1.0
85.02821	1.3
87.00753	1.5
89.02314	3.2
90.56879	1.2
96.95853	1.3
98.20433	1.9
101.02333	3.3
113.02334	2.7
122.32721	1.1
161.04411	1.6
169.12418	0.9
171.10153	2.4
208.08047	1.0
212.28851	0.9
249.14915	2.5
291.19702	2.9
309.20578	5.3
311.22321	3.2
323.10043	1.7
335.50275	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
69.95106	9.9
71.01257	3.6
73.02842	3.1
83.04923	2.5
89.94128	2.4
91.03897	10.2
97.02846	7.1
111.08040	2.8
119.08580	3.2
119.92200	2.4
137.09627	6.5
162.51170	2.8
171.10217	12.4
172.87592	2.6
181.07248	2.3
195.13937	3.5
209.15393	21.7
210.15854	2.9
223.17032	9.4
233.15503	8.6
238.40468	2.5
249.15027	4.1
251.16508	21.5
273.18552	7.9
291.19693	22.2
292.20135	3.1
309.20700	58.8
310.21118	7.6
383.24304	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	383.0774
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
50.53198	0.5
59.01249	2.2
62.28510	0.6
68.99697	1.6
71.01250	1.6
78.95813	1.3
95.54140	0.5
95.88000	0.6
96.37574	0.5
101.02332	1.1
118.44170	0.5
119.04933	0.8
121.02850	100.0
122.03168	2.7
145.02811	1.2
147.04457	2.1
149.02374	2.4
152.99496	1.4
154.99890	0.9
163.11226	0.6
171.10147	0.6
173.02493	1.1
180.05832	1.0
181.06458	3.2
191.03433	9.5
197.11786	0.9
207.04353	0.6
209.11713	1.2
217.04999	0.8
225.05568	6.5
229.20616	0.7
251.07175	2.7
285.05811	2.3
291.19724	3.5
295.06125	12.4
296.06430	1.1
309.20813	4.3
310.29895	0.5
311.09256	15.4
312.09659	1.9
313.07214	19.7
314.07425	1.8
339.08716	15.5
339.12631	1.0
340.09134	1.4
383.07748	20.6
383.12695	1.2
383.24359	1.4
384.08093	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	383.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02842	14.3
59.01245	4.3
65.63813	1.1
68.02410	3.3
69.45147	7.2
69.45553	2.7
71.01241	2.6
73.02794	1.5
74.02324	3.1
75.00747	1.4
78.95757	5.7
80.96390	3.4
82.02824	1.9
85.02794	2.4
87.00758	1.1
87.02631	1.4
93.03362	1.3
97.03956	1.1
99.05515	23.9
101.02306	2.5
111.00758	11.7
115.03875	5.1
116.01682	2.0
120.45393	1.1
121.02770	1.7
131.05289	1.2
131.45206	1.2
133.01508	1.2
133.02776	1.4
133.04311	2.6
133.06822	37.7
134.03635	9.0
134.07121	1.8
139.16336	1.4
143.04520	100.0
144.04875	2.1
148.03926	1.7
149.05978	4.0
151.42992	1.1
154.99803	1.6
155.04562	2.5
155.05698	1.6
161.02332	6.0
173.00845	2.9
179.07068	3.4
191.01906	1.7
193.04964	3.3
205.04984	2.9
210.67787	1.3
212.68738	1.2
221.04356	1.4
221.11774	2.0
233.09360	1.7
249.08759	8.6
267.08765	5.5
277.12256	92.7
278.12570	7.0
383.16895	12.1
384.17120	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	383.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.9
55.73725	1.2
57.02062	1.2
57.03326	3.5
58.00476	2.0
59.01251	50.8
69.03365	1.3
69.64680	8.6
71.01253	44.1
72.99182	2.4
73.02815	13.9
75.00734	5.8
83.01246	9.6
85.02827	22.2
85.99973	1.8
87.00758	3.8
87.10609	1.2
89.02318	10.0
95.01244	3.1
97.02841	1.7
99.00745	6.5
100.42127	1.3
101.02321	37.2
101.02993	1.9
113.02328	20.3
115.03902	3.5
119.03367	3.7
121.06479	3.2
121.10130	1.4
123.04405	2.0
127.00274	3.0
129.01823	5.2
134.03641	30.8
137.02428	1.6
137.09627	39.7
138.10022	2.0
147.08031	3.6
149.05966	20.1
159.02890	2.0
159.08049	1.4
161.04500	5.6
161.09674	2.2
163.07547	2.8
163.11192	66.7
164.11545	4.8
178.02577	3.2
187.07603	9.8
193.04973	11.3
202.09944	2.3
203.10710	100.0
204.11131	7.9
219.04993	2.9
221.11743	18.7
222.29640	1.3
233.64906	1.3
267.08710	32.9
268.09308	1.6
330.14133	1.4
365.16003	21.1
366.16541	3.8
383.17120	97.8
384.17523	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	382.1005
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
61.33207	0.7
69.46159	5.0
71.01263	8.6
78.20907	0.6
80.05068	0.6
80.05655	0.6
87.31245	0.7
88.74236	0.6
107.03527	2.0
115.00262	16.6
130.03998	0.7
133.03897	1.2
134.04628	100.0
135.04991	2.2
162.07768	7.7
188.05717	0.7
206.06786	33.8
207.07161	1.8
232.04604	1.1
250.05896	4.3
266.08932	5.6
272.25879	0.7
286.93997	0.7
348.51859	0.8
382.10065	25.1
383.10422	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	382.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51857	1.0
57.29132	1.1
59.01244	9.0
60.97879	1.4
61.01564	1.2
63.35358	1.2
67.01773	1.2
69.56941	5.7
69.57350	3.1
71.01256	9.7
72.95448	1.1
72.99162	4.1
73.02804	1.4
75.00738	17.5
85.02813	4.1
87.00745	14.5
89.02298	5.2
90.60464	1.1
93.04434	2.3
98.02357	2.9
101.02312	4.9
111.00735	4.6
113.02307	2.7
115.05421	5.0
116.04929	2.6
130.06529	7.2
130.38058	1.3
132.04442	25.6
133.04822	1.2
134.54251	1.1
137.03537	1.8
144.04445	1.7
154.06113	13.9
157.05286	1.2
158.06015	100.0
159.06311	4.2
173.00769	2.0
174.05502	3.1
176.07068	2.2
180.83263	1.1
202.05019	48.6
203.05287	2.6
220.06099	11.5
237.06160	7.9
249.06088	10.6
262.07043	1.9
305.40976	1.3
382.11386	54.7
383.11731	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	382.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01583	5.3
71.01251	8.6
71.58112	6.9
71.58494	4.3
78.95766	8.0
108.82491	3.6
113.09126	3.4
152.96873	4.8
152.99548	6.2
157.02313	3.9
299.25998	12.8
300.22891	3.0
300.26270	71.1
318.93878	4.5
325.18597	4.5
327.63138	3.8
371.69980	4.3
382.26303	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	383.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55447	0.8
53.02708	0.8
59.01248	6.1
65.70770	0.8
67.01757	1.8
71.57571	1.6
72.99185	3.8
73.02817	1.4
80.96420	1.2
83.01269	2.9
85.02821	15.9
87.00747	1.2
87.82225	1.0
99.00742	1.6
101.02338	2.4
111.00760	100.0
112.01108	2.2
113.02305	1.6
121.02808	1.0
129.01810	4.9
133.04941	1.4
150.03137	2.3
154.99753	12.9
165.05492	2.3
173.00829	27.6
174.01161	1.6
188.27170	1.0
191.01868	5.6
309.01462	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	10.1
61.98708	6.6
63.06042	1.5
71.58107	2.3
78.95771	3.0
87.20106	1.6
89.44839	1.9
109.06444	1.8
124.02083	1.8
151.07520	2.0
170.05742	3.4
199.13268	1.9
217.00237	10.9
251.20073	3.1
255.16055	2.1
260.58209	2.1
277.14999	3.7
277.18069	78.4
278.18387	7.1
279.19638	25.1
280.20041	3.1
295.19122	100.0
296.19504	8.4
363.25449	16.1
364.25821	2.3
381.26447	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	382.1003
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
59.01272	0.5
64.80847	0.3
67.07269	0.3
69.80677	1.2
69.81095	1.2
71.01257	7.0
78.95770	0.7
87.00742	2.7
92.02431	0.9
96.96871	0.4
107.03501	2.8
115.00260	15.8
117.43568	0.4
119.03536	0.6
122.02463	0.4
133.03854	1.3
133.04997	1.3
134.04623	100.0
135.05081	2.1
135.06618	0.8
146.04565	0.5
160.06163	0.4
162.07762	7.7
175.00577	0.6
188.05717	0.5
206.06783	32.8
207.07120	0.8
232.04758	0.9
250.05736	3.6
266.08966	4.5
311.68216	0.4
382.10016	22.9
383.10535	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	381.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48680	0.4
53.35817	0.4
55.30997	0.5
59.01181	12.4
59.01517	1.4
70.60841	0.8
77.00529	0.4
78.95715	1.3
101.39613	0.4
127.11121	1.5
152.84351	0.5
152.99391	1.8
155.14238	1.8
155.15382	0.5
166.41025	0.5
169.15816	0.4
224.58408	0.4
251.23830	0.6
253.25349	1.8
281.24899	2.0
297.24402	1.1
299.25909	100.0
300.26227	7.8
319.22614	2.9
321.24075	2.1
339.23978	1.2
365.23068	2.5
381.26163	18.0
382.26312	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.2
68.02405	17.5
70.33751	1.3
71.04885	0.7
81.03178	0.4
82.03951	0.9
101.83792	0.4
121.06422	0.4
123.11764	0.4
124.07545	0.6
126.99483	0.4
127.11131	0.6
138.06763	0.5
151.11191	0.6
152.08194	0.4
153.12753	3.3
155.14326	0.4
163.11160	1.9
165.12749	3.6
166.09761	17.6
170.05763	3.3
179.10690	12.6
180.10992	0.9
181.12250	36.0
182.12639	2.5
192.11597	0.4
195.10191	1.7
197.11768	1.4
199.13316	100.0
200.13651	6.0
215.12814	4.4
216.13127	0.5
217.00342	2.2
217.04031	0.5
287.67752	0.4
312.27640	0.4
345.24210	0.4
363.25436	4.5
364.25729	0.9
381.11774	0.4
381.21414	0.6
381.26379	4.3
382.26904	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02427	0.5
55.27091	0.4
57.74136	0.5
59.01253	1.5
59.03092	0.4
66.43533	0.5
93.89463	0.5
109.06509	0.8
137.06004	0.9
138.06760	0.5
149.05984	1.6
151.07513	2.1
161.99828	0.5
170.05780	4.3
199.13264	0.9
217.00223	1.9
221.15388	0.5
229.69351	0.7
233.18990	1.1
235.20682	1.5
235.40108	0.5
251.20100	3.3
254.66550	0.5
265.18033	0.6
277.18069	83.7
278.18417	8.2
279.19635	24.7
280.19891	2.4
295.19125	100.0
296.19415	10.1
296.22446	0.8
306.18472	0.8
345.24310	0.6
363.25391	16.9
364.25626	2.7
381.26401	4.9
382.26599	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85368	0.4
59.01229	0.4
69.69115	0.3
69.70746	1.5
69.71185	1.0
70.66865	0.3
71.33740	0.3
76.11445	0.4
79.95634	1.4
80.96407	0.5
96.95892	3.6
98.19834	0.5
121.82631	0.4
143.72398	0.4
183.01123	0.9
191.65172	0.4
197.02696	2.5
211.04314	0.6
225.05824	0.4
239.07433	6.8
240.07826	0.5
253.09004	21.4
254.09413	2.3
267.10550	3.8
269.00894	0.4
281.12064	2.3
286.08755	2.2
295.13708	1.1
309.15317	1.0
317.28250	0.4
323.16785	0.8
337.18420	1.4
351.20016	1.2
365.21588	3.5
366.22174	0.5
381.24667	100.0
382.24994	12.2
398.21188	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86351	0.3
59.01247	0.7
63.87224	0.3
65.25588	0.3
70.44279	0.5
70.44633	0.7
75.10754	0.3
79.95615	0.8
80.96398	0.3
84.50175	0.3
84.71947	0.3
132.08513	0.3
134.99516	0.3
151.97900	0.3
165.22356	0.3
190.38518	0.3
197.02771	0.9
239.07471	3.8
253.09009	27.1
254.09395	2.0
267.10559	2.6
274.41330	0.3
281.12234	1.0
286.08786	2.4
295.13641	0.9
309.15295	0.7
323.16757	1.1
337.18491	1.1
351.20053	0.6
365.21506	3.2
381.24661	100.0
382.24994	12.3
398.21054	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	11.2
70.93795	2.3
71.01257	2.0
71.04899	4.3
73.02825	3.0
78.95737	1.1
83.04913	1.2
89.02346	1.3
90.14205	0.8
91.03905	2.4
97.06471	1.7
98.61214	0.9
99.04387	11.2
100.04681	1.0
101.05984	1.4
109.06483	2.0
123.08057	5.2
129.75821	0.9
135.08046	1.1
138.06802	1.4
147.18823	1.1
152.61568	0.8
152.99449	2.1
169.46458	1.0
174.99138	1.4
181.12244	3.0
190.65392	1.2
191.14308	2.3
195.13864	2.3
199.13379	4.7
205.12236	1.3
207.13831	2.4
217.00246	9.4
219.13844	1.1
221.15427	20.4
222.15788	1.2
233.15465	3.1
245.19147	5.4
251.16644	4.2
261.18756	0.9
271.17078	2.8
279.19534	1.6
289.18106	55.3
290.18430	4.0
307.19147	100.0
308.19510	10.0
378.44336	1.0
381.10434	1.3
381.22827	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	381.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50248	1.8
56.25729	2.3
56.98399	1.9
57.03326	3.8
59.01255	20.9
71.01268	4.2
71.04891	4.3
71.58271	2.6
78.95790	6.8
80.02559	2.0
81.03336	3.2
83.04877	2.9
95.04942	2.2
97.02837	2.5
97.06469	17.9
109.06456	2.1
111.08092	3.8
123.04437	4.1
125.09649	6.4
137.09628	5.5
149.09608	2.4
151.11194	7.8
152.99475	2.4
153.09100	2.4
155.10649	3.6
163.07541	3.4
163.11224	9.0
163.98035	2.3
165.12776	7.4
171.10086	3.2
174.99133	2.7
177.12759	3.1
179.10692	4.2
181.12303	7.5
185.11807	11.1
191.10735	5.2
191.14371	7.2
207.10194	3.7
209.11836	20.3
211.13348	5.3
217.00276	20.9
225.11295	5.8
245.19093	26.0
246.19383	2.6
260.19519	1.9
263.20074	5.5
271.17142	4.2
279.19479	4.4
289.18097	89.5
290.18445	7.9
291.19745	4.8
295.19205	4.4
307.19138	100.0
308.19534	7.9
321.11209	3.9
323.22449	3.9
381.18118	27.8
381.22644	3.5
382.18393	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	381.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	2.3
57.03321	4.7
59.01248	9.0
59.82116	1.8
65.03838	58.6
65.82958	2.2
70.74181	6.2
71.01245	2.7
71.04893	29.1
78.95784	8.7
83.04893	3.6
91.03868	2.2
95.04890	2.6
97.06471	75.0
98.06841	2.0
119.08565	6.6
121.06491	100.0
122.06782	2.1
123.08078	3.5
125.09614	41.0
137.54779	2.1
148.70667	2.2
152.99493	13.0
185.11777	95.9
186.12143	4.9
209.11787	37.2
211.13354	41.0
217.00273	11.7
217.12259	3.6
219.43349	2.0
233.15320	3.4
235.13380	86.8
236.13646	4.8
257.18658	2.2
289.18103	22.7
290.18466	2.8
292.73181	2.1
297.47174	1.9
307.19144	84.5
308.19501	8.5
309.17148	21.3
311.05823	6.6
381.13528	7.2
381.22858	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	381.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	7.0
69.86308	5.0
71.01261	1.3
71.04889	4.4
73.02820	2.6
78.95770	1.0
83.04919	1.6
83.70704	1.1
85.02825	0.8
85.25488	0.8
91.03896	1.9
93.03358	0.9
93.83605	0.7
95.04922	1.4
96.00009	0.7
97.06470	1.9
99.00766	1.6
99.04398	12.5
100.53531	0.8
101.05981	1.2
109.06516	1.8
111.04291	0.7
111.08003	1.0
115.08004	0.9
123.08056	7.2
138.06760	1.3
149.09596	2.3
152.99529	1.7
187.13463	0.8
195.13823	3.6
205.15886	1.4
207.13873	3.1
217.00365	0.9
221.15439	23.6
222.15718	1.4
231.28012	0.9
233.15408	3.1
245.19057	7.4
251.16586	4.8
261.18549	1.8
263.20038	1.2
271.16965	3.2
279.19565	2.1
289.18115	59.3
290.18405	6.3
302.00861	0.8
307.19162	100.0
308.19543	8.6
381.22870	10.6
382.23123	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	381.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.9
59.01254	100.0
60.01595	1.0
69.33400	4.2
69.33816	1.2
71.01256	5.4
71.34420	0.5
73.02829	1.6
78.95783	2.3
83.01286	0.6
85.02838	2.3
87.00766	0.6
89.02334	1.6
96.95893	1.1
96.96864	1.4
99.00790	1.3
101.02322	4.5
107.43130	0.5
113.02346	1.7
119.03406	0.7
152.99495	2.8
159.02945	0.7
161.04469	5.2
169.12268	0.8
204.22963	0.5
213.11237	1.1
219.14005	0.6
219.23543	0.6
267.36884	0.6
270.59155	0.5
321.19232	6.4
328.45923	0.6
344.14847	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21508	1.0
55.01774	4.4
57.03321	3.1
57.33887	0.8
59.01250	2.3
65.03836	67.5
66.04163	1.5
69.03341	1.6
69.61189	7.3
71.04895	30.3
75.10022	0.8
76.22064	0.9
78.95759	1.7
79.98749	0.8
83.04904	2.2
83.45595	1.0
91.03864	2.6
95.04935	1.5
97.06470	81.1
98.06832	2.2
98.19759	0.9
109.06464	1.5
119.08559	7.6
121.06487	92.7
122.06809	3.0
123.08004	2.6
125.09617	45.9
126.09989	1.4
135.08041	2.0
137.09561	2.2
141.12750	1.2
151.05074	1.0
152.99521	1.9
167.14374	1.2
169.08661	1.3
171.10228	1.6
171.30632	1.0
173.13287	2.0
185.11761	100.0
186.12108	5.8
209.11771	32.1
210.12161	1.8
211.13350	38.2
212.13631	1.8
217.00258	1.0
217.12283	4.2
228.73880	1.0
233.15430	1.9
235.13370	82.6
236.13727	5.9
244.71562	1.0
265.79019	1.1
271.17056	1.6
279.70248	1.1
289.18140	20.6
290.18515	1.3
307.19141	74.2
308.19418	6.7
309.17050	22.3
310.17392	1.7
381.22693	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	381.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50444	0.3
59.01251	1.0
63.51642	0.3
69.46644	1.3
69.47073	1.6
71.75485	0.3
72.37881	0.3
74.02376	0.3
78.95780	4.9
110.98425	4.2
112.39764	0.3
117.40022	0.4
119.08546	0.9
121.06499	0.5
152.99500	1.0
167.01050	0.9
168.31160	0.3
176.75006	0.3
183.13841	15.6
184.14169	1.2
185.02190	3.3
185.11874	0.5
195.13853	12.8
196.14232	0.7
211.13278	0.5
213.14922	100.0
214.15268	6.2
289.18066	0.9
307.19174	0.7
381.16879	7.1
382.17416	0.6
402.78458	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01579	0.7
62.45385	0.4
69.36607	2.5
69.37033	2.0
78.95777	0.6
85.02835	0.5
93.03326	2.5
96.00887	0.4
96.04417	5.5
96.95880	0.6
105.05764	0.8
108.04497	0.8
110.05991	0.6
113.02309	0.5
120.08077	21.4
121.08479	1.0
148.07570	0.9
152.07095	3.0
152.99506	0.9
153.53566	0.5
164.07066	5.4
216.06653	1.6
217.13432	1.2
240.10303	1.5
243.11440	1.5
261.12421	7.0
262.12939	0.5
275.09024	0.5
284.09357	1.4
285.09976	0.6
312.49850	0.5
381.14526	13.0
381.21191	1.7
382.14957	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	379.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	16.4
59.81112	0.5
71.01178	0.5
71.50011	1.0
96.95879	0.9
97.14390	0.6
109.91168	0.5
139.11211	0.6
141.12761	2.0
155.10690	16.4
156.11029	0.7
178.12392	0.6
223.04437	0.8
224.30217	0.5
261.22296	0.8
279.23254	14.0
280.23730	0.9
291.32733	0.6
295.22812	1.6
297.24338	100.0
298.24658	10.5
317.20895	6.3
318.21234	0.8
319.22504	12.0
320.22925	0.8
363.21542	9.1
364.21832	1.0
379.24576	19.1
380.24835	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00499	0.6
54.09464	0.5
54.74584	0.6
59.01252	14.5
59.06198	0.6
67.12422	0.6
69.28145	4.4
69.28564	1.8
84.85184	0.6
98.20588	1.2
121.64386	0.6
139.11182	1.5
152.59441	0.6
155.14307	1.8
168.71895	0.6
251.23764	1.3
253.25305	2.1
297.24353	100.0
298.24747	9.2
319.22537	33.7
320.22855	3.2
371.78284	0.6
379.24622	7.4
380.24930	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
69.81647	4.9
128.99139	0.8
148.30550	0.7
152.99469	1.0
217.00320	4.1
402.83368	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0318
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21367	1.1
59.01244	1.6
71.05798	2.3
72.52439	1.0
79.95601	4.6
80.96388	100.0
93.03305	2.9
105.30026	1.1
111.92845	1.9
137.00562	59.9
138.00800	2.3
150.01346	1.4
179.01752	1.2
241.97572	1.0
252.41869	1.1
254.58499	1.1
381.03174	38.0
382.03546	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	379.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82351	1.2
59.01255	17.7
61.27801	0.9
61.98700	1.9
69.87734	1.5
69.88144	4.9
76.41795	1.0
78.95757	1.1
93.21334	1.0
113.13035	1.1
141.12762	1.6
152.99529	1.2
155.10684	14.5
211.84750	1.2
227.32190	1.1
261.93124	1.1
279.23312	13.6
280.23712	2.3
297.24359	100.0
298.24698	7.2
317.20999	6.6
319.22552	12.5
320.23074	1.5
363.21463	7.0
379.24597	17.8
380.24603	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	379.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09192	0.4
59.01250	100.0
59.44814	0.3
60.01588	1.2
69.69443	2.3
86.67451	0.4
88.57500	0.4
93.03343	1.8
94.03664	0.5
96.81133	0.4
119.30798	0.4
148.99226	0.4
150.26558	0.4
161.50496	0.3
166.04265	0.3
179.49258	0.4
211.13371	0.7
241.10696	0.8
263.04028	0.3
324.61166	0.4
376.87061	0.3
379.13803	1.8
394.56354	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	2.0
59.01251	12.9
67.35477	1.8
69.03328	2.5
71.01256	2.5
71.04890	9.4
71.57710	2.4
73.02820	4.8
77.38953	2.1
78.95778	3.0
83.04885	2.1
89.02339	4.1
90.09661	1.9
91.03885	4.3
95.04911	1.6
96.95902	3.3
97.06474	4.5
99.04399	55.9
101.02319	5.0
109.06474	3.1
123.08054	16.7
125.06001	5.1
135.08043	3.1
136.05211	3.6
149.09613	7.7
152.99577	3.4
175.11183	3.2
189.12770	3.1
193.12196	5.3
195.13873	2.5
205.12267	3.0
209.86636	1.7
211.13431	2.8
219.13817	6.9
221.15474	4.3
243.17534	29.9
244.17896	4.0
249.14888	4.8
269.15463	7.7
287.16528	89.8
288.16754	8.0
305.17593	100.0
306.17920	8.7
345.59546	1.9
379.21243	41.9
380.21457	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	379.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76345	2.0
51.87760	1.8
59.01237	11.4
65.78764	1.5
66.27931	1.7
71.01260	2.6
71.04897	8.2
71.57507	3.0
73.02817	4.0
78.69302	1.9
78.95799	2.0
88.69975	1.8
89.02351	3.3
91.03888	3.6
97.06475	4.5
99.04394	54.7
101.02297	2.5
106.04161	3.1
106.94579	2.0
107.08557	3.8
109.06429	3.4
121.06435	3.0
123.04392	2.0
123.08055	16.7
125.05979	5.6
136.05206	5.4
149.05989	2.0
149.09628	6.5
161.13216	2.4
175.11288	2.6
175.35909	1.7
189.12834	2.0
193.12297	3.3
195.13892	3.9
205.12289	3.9
219.13812	6.9
221.15335	4.1
231.13857	3.4
243.17464	26.8
249.15034	4.7
269.15463	7.6
277.17999	2.1
287.16525	100.0
288.16925	8.1
305.17593	93.0
305.20761	3.4
306.17929	6.9
379.21210	46.3
380.21530	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	379.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.5
58.00456	2.2
58.91951	0.9
59.01251	100.0
60.01586	1.2
60.99188	0.9
69.57501	6.8
71.01253	48.6
72.99169	4.9
73.02825	4.6
73.53811	0.9
83.01254	3.4
85.02818	13.3
87.00755	3.6
89.02317	52.2
90.02649	1.5
95.01274	2.1
98.20652	1.3
99.00777	1.2
99.32147	0.9
101.02319	31.3
101.05956	19.1
111.00800	1.4
113.02330	20.4
115.03904	1.7
119.03383	26.5
131.03387	1.6
133.01492	0.9
133.04892	1.0
141.89587	0.8
143.03357	3.3
149.04472	1.3
161.04507	4.8
179.05508	5.6
189.06641	1.0
209.11862	1.0
277.09341	2.5
293.18268	0.9
295.10333	17.8
296.10733	1.6
319.17719	1.2
379.15881	8.6
379.19730	22.9
380.20099	2.6
382.00269	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86737	0.8
57.03325	1.0
58.00472	1.8
59.01249	41.6
67.73132	0.8
70.99356	2.6
71.01253	24.7
72.99183	3.6
73.02832	0.9
83.01257	1.4
83.04897	1.4
85.02847	5.9
89.02313	27.1
94.93609	0.9
95.01250	2.0
96.95900	0.9
101.02317	11.8
110.36782	0.9
111.00769	4.4
113.02324	7.5
119.03394	10.7
131.03403	1.1
137.09593	7.2
140.35114	0.9
143.03392	1.5
144.79427	0.9
154.99744	1.0
155.10680	91.0
156.11023	3.4
161.04471	1.1
173.00893	1.4
179.05479	2.7
181.08649	1.1
199.09691	100.0
200.10034	7.8
217.10739	5.6
220.64603	0.9
327.72818	1.0
379.16025	22.4
380.16434	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	379.1583
Annotation	DMH-1
Peak:m/z	Relative Intensity
56.78381	1.1
60.21447	1.0
65.16519	1.1
69.94859	6.6
71.72068	0.9
81.25454	1.0
96.95895	1.6
99.92466	74.4
100.92471	5.5
100.93190	1.5
115.91136	1.5
115.91965	39.1
116.92749	100.0
117.92761	4.6
148.19066	1.0
166.11954	0.9
171.33276	1.2
276.31146	1.2
279.23431	1.3
335.16925	1.7
347.25897	1.9
375.12701	3.0
379.15823	59.8
379.28549	26.1
380.16022	8.7
380.28839	2.5
393.13696	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	378.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.4
61.98702	16.3
65.58624	0.2
68.02407	39.1
69.02115	0.2
69.02734	0.5
71.01320	0.2
71.57952	0.4
83.06796	0.2
84.78728	0.2
90.88695	0.2
95.60956	0.2
126.99453	12.5
127.99757	0.3
152.08151	0.4
154.09763	100.0
155.10179	3.8
164.08195	0.3
183.01149	0.8
238.15613	0.8
297.15247	2.7
311.17059	0.2
378.15463	3.5
378.20398	0.2
379.16241	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1036
Annotation	Drosophylloside
Peak:m/z	Relative Intensity
51.69800	4.0
58.00446	3.7
59.01250	27.4
68.23879	4.1
70.40060	11.0
71.01260	15.9
72.99187	4.0
78.95770	25.9
80.96365	4.8
85.02809	7.3
88.74487	4.1
89.02310	9.8
91.84240	3.7
96.95923	6.6
99.00777	6.5
101.02311	15.3
106.92748	3.5
113.02303	4.8
124.00916	9.7
131.08096	6.7
143.04942	24.0
145.06496	30.9
152.99510	9.8
155.04945	9.7
157.06494	5.2
159.04407	6.3
159.08049	18.1
169.06512	5.7
173.06039	7.1
185.05962	4.6
187.07613	5.1
199.07420	4.9
201.05556	4.4
213.05319	4.6
215.06996	8.3
217.05016	35.5
229.05139	4.2
231.06593	6.2
257.04410	7.3
259.06128	100.0
260.06311	5.7
283.06265	5.0
335.19800	11.9
379.10117	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20342	0.3
51.03590	0.3
55.81366	0.3
58.77238	0.3
59.01245	1.2
61.03500	0.3
61.98703	0.5
68.02407	8.0
69.88979	0.7
69.89394	1.3
83.01130	0.6
89.52141	0.3
98.20429	0.4
101.05959	3.7
126.99457	100.0
127.99796	4.0
128.99156	3.9
131.59052	0.3
138.10239	0.4
152.08199	41.0
153.08598	2.2
154.06161	0.8
154.08647	0.4
154.09816	0.8
183.01120	1.0
184.02136	0.3
207.01949	0.4
211.90112	0.4
236.14026	0.3
250.15352	0.4
297.15298	3.2
311.16898	0.7
356.26364	0.3
378.14093	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	0.2
67.56027	0.1
68.02406	6.7
70.67862	0.1
71.56682	0.2
71.57098	0.2
79.33076	0.1
79.55299	0.1
80.35617	0.1
83.01106	0.2
84.96441	0.1
91.01746	0.3
101.05274	0.2
101.05953	3.6
126.99449	100.0
127.99795	3.1
131.47646	0.1
138.10222	0.5
152.08186	8.5
153.08569	0.3
154.09789	0.3
166.09808	0.2
177.63753	0.1
201.61266	0.1
207.01993	0.4
234.00546	0.2
234.22844	0.1
235.01459	0.5
250.15677	0.3
295.22961	0.1
296.23111	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55281	1.2
59.01247	3.4
71.58276	1.8
96.95903	6.9
115.73936	1.2
141.12743	9.6
152.99486	1.8
155.14366	5.9
158.27315	1.1
161.92255	1.2
181.71460	1.3
241.21725	7.7
249.22145	9.7
256.01758	1.5
295.22775	100.0
296.23239	9.2
341.34766	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1557
Annotation	Bruceolline M
Peak:m/z	Relative Intensity
50.38605	0.5
59.01253	5.9
69.03333	1.3
69.26100	5.3
71.01250	4.3
72.99174	2.9
73.98939	0.4
75.00746	100.0
76.01067	1.0
80.96412	0.7
84.02028	1.1
84.04420	0.6
85.02814	1.3
87.00752	9.4
93.03337	35.5
94.03685	1.2
94.06509	0.6
95.28049	0.5
97.02831	2.8
99.00762	7.4
103.00230	0.6
123.07887	0.5
126.99476	0.7
128.03436	0.5
136.03938	0.5
136.07582	7.1
139.04976	1.2
147.04492	0.7
148.07576	1.7
162.01935	0.9
173.06047	3.6
183.06866	1.0
185.11798	0.7
197.12946	0.7
198.09158	2.9
199.09857	0.6
200.10739	41.6
201.11029	3.2
204.82932	0.5
212.10736	2.0
214.12329	0.9
215.13878	0.8
224.10757	5.5
225.11298	0.8
226.12370	0.8
242.11830	20.2
243.12146	1.6
254.11804	2.8
258.14761	0.8
270.14957	0.8
272.12906	6.9
273.13342	0.9
280.13354	2.4
318.13425	0.6
318.25540	0.6
335.16626	0.6
342.13477	5.5
360.14664	1.6
378.15564	98.1
379.15927	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.4
57.03314	1.0
58.00456	0.7
58.32973	0.5
59.01254	9.9
69.03333	0.7
70.34557	1.9
70.34925	1.1
71.01254	10.0
72.99180	1.8
73.02829	2.9
78.95785	8.5
83.01254	3.3
85.02823	4.5
87.00756	2.1
89.02307	0.8
89.52998	0.6
93.03333	1.2
96.95924	1.0
96.96827	0.6
99.00763	1.0
101.02323	5.6
111.00743	0.9
113.02343	2.4
119.72255	0.6
125.02381	0.8
152.99490	10.2
169.15900	1.2
182.85834	0.6
197.15358	1.0
211.13368	2.4
215.16470	29.5
216.16823	1.7
277.56528	0.7
303.15915	1.1
325.15848	0.7
359.21127	2.9
377.21808	100.0
378.22159	8.8
403.52863	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84839	0.8
56.36291	0.8
59.00951	1.2
59.01251	23.2
60.50087	0.7
69.03326	1.0
71.57510	0.8
71.57864	1.5
78.95757	1.6
81.63739	0.8
82.84746	0.7
95.04900	1.6
114.14361	0.9
117.14202	0.8
141.12701	0.8
152.99496	0.9
155.10686	2.8
171.10170	16.2
172.10432	0.9
183.10187	16.8
184.10466	0.8
195.13826	2.9
209.07935	1.2
219.46490	0.9
238.08299	2.1
249.22215	1.1
262.78564	0.8
277.21738	26.4
278.22037	2.4
295.22775	100.0
296.23132	10.1
299.19818	0.9
317.20959	34.1
318.21414	3.9
361.19968	3.6
377.22821	17.7
378.23453	2.0
403.45569	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47809	3.5
51.59278	3.6
52.81971	3.2
55.01755	4.4
57.03313	11.4
58.00463	4.2
59.01249	10.2
65.03838	3.8
65.63303	3.4
69.39657	33.2
71.01257	9.6
73.02808	17.8
81.03320	28.0
83.04894	10.7
84.02052	5.7
85.02818	19.4
88.50076	3.5
93.03327	31.8
95.04903	9.4
97.02826	4.4
97.06464	9.4
101.05941	7.1
103.65118	4.0
109.06433	3.7
110.03675	4.9
111.04407	62.4
121.06512	6.3
125.09603	12.3
127.11173	10.0
137.09607	5.2
139.07532	5.1
145.56662	4.5
149.09624	4.1
171.10168	100.0
172.10542	4.7
176.65619	3.4
177.12735	5.5
185.11740	14.7
196.59698	3.8
199.09669	4.6
201.11235	68.1
201.12956	5.9
209.11703	4.4
213.11195	11.3
215.12836	19.3
221.11731	25.8
223.13316	4.6
239.12833	37.8
247.13274	18.0
249.15012	3.8
265.14444	11.0
270.67911	3.4
316.70502	3.9
359.20663	19.3
377.06635	5.5
377.21762	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	377.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90118	0.8
58.02841	1.2
59.01256	100.0
71.01262	3.6
71.57870	1.3
73.02825	2.3
78.95776	9.5
85.02827	1.8
89.02354	2.7
90.98464	6.4
91.56538	1.0
96.95910	1.2
96.96848	1.4
101.02334	3.3
113.02351	5.1
143.04521	7.7
152.99501	19.7
155.10695	78.0
156.11037	3.2
161.04510	1.1
169.12192	1.3
171.00519	1.1
171.12083	3.0
189.13043	0.9
191.99968	0.9
197.11806	1.1
233.12144	5.5
257.14960	0.9
398.45468	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2116
Annotation	17beta-(Benzoyloxy)-B-norandrost-4-en-3-one
Peak:m/z	Relative Intensity
58.02855	2.6
59.01252	2.4
61.47360	0.3
65.44130	0.3
70.02858	2.8
70.73029	1.2
71.01250	0.8
71.04895	24.3
72.00793	1.5
72.05228	0.4
74.87511	0.4
78.95775	0.6
84.66042	0.4
85.02808	0.5
87.05520	4.8
98.06001	0.6
99.04407	9.2
116.07093	3.7
117.10228	0.4
121.02876	0.9
129.05490	1.2
130.03247	1.0
131.61925	0.3
133.06830	12.4
146.08141	100.0
147.05888	1.7
147.08545	2.7
169.07597	0.5
171.10197	0.5
217.11905	0.6
226.66652	0.4
230.12175	1.8
243.13486	0.7
247.14799	4.3
272.10434	1.0
341.10718	0.5
377.07318	0.7
377.21198	30.9
378.21396	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	377.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18862	2.7
51.19301	2.7
67.11634	3.1
69.35512	27.2
72.99165	12.5
75.00729	10.7
108.93158	3.2
118.46968	2.8
133.04962	100.0
134.05309	4.1
144.21310	2.9
245.33391	2.8
354.69730	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	377.1425
Annotation	Go 6976
Peak:m/z	Relative Intensity
50.75825	0.5
60.46184	0.6
66.44173	0.5
66.79286	0.5
68.37164	0.6
68.41199	0.5
99.92455	77.0
100.92467	4.5
100.93245	1.5
108.11076	0.6
115.91116	1.3
115.91956	39.6
116.92737	100.0
117.92750	5.1
122.07949	0.6
126.99449	1.1
127.95608	0.6
132.92256	0.7
152.08185	0.6
191.33971	0.5
211.10025	0.6
277.21774	1.1
299.05841	0.9
308.07181	2.4
359.13168	1.2
371.08966	0.7
373.11136	2.5
374.11591	0.6
377.14252	41.7
378.14413	6.1
391.12149	4.7
392.12350	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1466
Annotation	Reduced riboflavin
Peak:m/z	Relative Intensity
59.01258	5.2
69.24210	10.3
71.01236	1.9
73.02843	1.0
78.95780	1.9
80.85823	0.8
89.02326	1.9
96.96859	0.9
101.02279	0.8
109.45246	1.0
145.07602	3.3
152.99399	0.9
153.12784	1.0
172.08713	3.0
177.39743	0.9
196.08821	1.0
198.06650	4.3
199.07034	1.3
200.11848	1.3
201.11122	1.0
214.09819	2.6
215.12836	1.3
241.07234	23.3
242.08057	45.8
243.08838	31.6
244.08958	1.4
257.10278	4.2
269.10385	1.7
303.15912	1.1
311.11563	5.3
315.06802	1.6
341.10913	1.1
359.13730	6.1
377.14651	100.0
378.14990	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	377.07
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59372	0.3
53.90536	0.4
58.88402	0.3
59.01211	0.4
62.78085	0.3
68.62328	0.3
69.03314	0.5
69.49629	0.7
69.50027	2.9
69.78819	0.4
71.01181	0.4
78.33734	0.4
79.95609	9.2
85.02825	0.5
86.79202	0.4
96.95875	2.3
98.20546	0.7
102.45113	0.3
119.04924	1.8
121.02842	100.0
122.03171	3.5
145.06470	1.6
147.04390	0.9
170.20525	0.4
173.05936	0.7
196.64078	0.3
240.49077	0.3
251.10663	0.6
296.02911	0.4
297.11319	9.8
298.11530	0.6
346.19598	0.3
377.06973	63.8
378.07346	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	377.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37079	0.7
59.01250	2.5
69.84425	0.6
71.01234	0.9
71.56752	0.8
71.57095	0.6
75.00755	0.8
78.95778	55.1
89.02340	0.6
94.53072	0.7
96.96842	100.0
97.21764	0.6
122.56430	0.6
131.04897	3.3
134.89076	0.6
146.25078	0.6
152.37808	0.5
197.15372	0.6
198.86168	0.6
201.11209	0.9
209.11711	0.7
279.10266	3.1
377.17834	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	25.5
63.69767	5.6
70.83437	15.8
71.01253	26.1
73.51044	5.1
78.95751	6.5
89.02328	41.9
99.02747	4.8
101.02332	20.1
104.30463	5.3
113.02303	14.4
119.03426	11.8
161.04440	8.1
179.05537	28.2
215.03221	25.9
341.10913	100.0
342.11316	7.5
350.22974	5.1
377.08609	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.8
59.01251	20.0
86.17403	0.9
93.21819	0.8
112.22477	0.7
113.12207	0.7
114.71635	0.8
123.08046	0.9
125.09634	4.3
126.99449	1.2
141.12752	1.1
149.09624	3.0
151.08676	2.1
152.08170	5.6
153.05414	0.8
174.99214	0.9
185.11732	8.5
195.28017	0.7
197.11740	2.4
217.00278	4.1
246.40067	0.9
247.20584	1.9
257.59036	0.9
275.20227	1.1
293.21207	100.0
294.21530	10.7
315.19376	32.2
316.19644	2.6
375.21576	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	375.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	4.6
59.00948	2.4
59.01252	47.1
69.92740	4.8
78.64227	1.1
83.59192	1.0
93.03336	1.2
113.09608	13.6
113.42508	1.0
115.94877	1.0
116.85729	0.9
121.06483	2.5
121.10121	9.5
125.09595	1.2
126.99364	1.0
131.44872	1.0
139.11147	1.7
152.08195	3.8
167.10730	1.3
171.10179	35.4
171.11638	2.2
172.10573	1.5
179.10629	1.6
183.10190	1.7
185.11758	2.0
195.13782	1.4
217.00223	3.1
247.20750	1.4
272.14154	1.5
275.20154	42.9
276.20581	3.4
293.21240	100.0
294.21548	10.2
315.19388	58.3
316.19839	6.9
375.21490	22.9
376.21863	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	375.215
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49173	0.6
54.59711	0.6
59.01252	13.0
69.56669	4.9
92.04163	0.6
132.90645	0.6
137.04688	0.6
174.99101	0.8
181.15927	0.9
217.00308	3.3
225.14876	1.1
236.50528	0.6
249.22244	1.0
270.34537	0.7
293.21231	100.0
294.21588	8.1
303.01074	0.7
315.19400	25.4
316.19724	2.5
325.36511	0.6
375.21481	6.7
376.21771	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04921	0.4
57.03310	0.3
59.01241	2.5
69.03318	0.5
72.99185	0.6
76.25182	0.3
91.11075	0.3
98.19798	0.7
99.92449	4.3
113.09624	0.7
115.91888	0.5
125.09609	0.6
126.99451	6.9
133.33437	0.3
139.11195	2.6
152.08191	21.3
153.12747	1.4
159.49997	0.3
189.16565	0.4
191.18005	2.9
217.00209	1.0
224.14232	0.5
229.19464	0.4
234.67433	0.5
247.20616	2.3
247.22772	0.4
254.09912	0.4
293.21201	100.0
294.21539	8.3
315.19427	1.2
375.21289	4.1
376.13593	3.0
376.21350	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	1.1
57.31847	0.6
59.01251	100.0
60.01598	1.1
61.23674	0.8
61.79918	0.8
69.32341	6.5
71.01256	4.3
73.02815	1.1
79.95607	0.8
82.97270	0.6
83.01233	0.9
83.04861	0.9
85.02830	3.0
89.02351	0.9
93.03344	0.7
97.06450	0.8
99.00799	0.6
101.02343	2.5
111.88300	0.6
113.02329	0.7
145.08643	1.2
157.08565	1.0
161.04491	2.3
166.57973	0.7
171.10265	2.2
174.99239	1.0
201.11267	1.3
215.09258	1.1
217.00258	3.2
241.07230	0.7
289.20340	1.5
292.10107	1.3
299.32959	0.7
375.14371	0.9
375.19730	2.2
375.24121	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	375.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66621	1.4
58.17621	1.2
59.01251	43.0
70.25880	5.1
71.01192	1.4
81.74922	1.3
87.10301	1.3
90.00763	1.3
95.04894	4.4
96.95593	1.4
99.92459	3.2
100.93140	1.5
115.91898	1.5
121.10114	29.4
126.99397	2.0
171.10176	60.5
172.10631	2.4
181.12225	1.5
193.05399	1.5
207.09958	1.4
217.00229	2.8
231.21172	4.5
261.67938	1.8
275.20142	100.0
276.20383	7.8
278.11313	10.9
293.21231	86.3
294.21613	8.3
297.18671	1.8
315.19406	39.5
316.19699	4.3
329.17273	2.2
359.18304	5.4
375.21289	29.1
376.21655	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95906	0.7
59.01252	100.0
60.01601	1.1
71.01257	3.8
71.57722	0.7
72.99187	0.8
73.02833	1.3
85.02847	1.9
89.02332	1.2
93.86157	0.8
96.17421	0.6
99.00711	0.7
101.02329	2.5
113.02335	1.9
119.03423	0.7
125.09656	1.2
126.99461	1.0
145.08665	1.5
152.08220	0.7
161.04474	1.7
170.04826	0.7
171.10216	2.2
174.99228	1.1
201.11311	0.8
215.09157	0.9
217.00305	3.2
231.95599	0.9
241.07523	0.7
289.20068	1.7
292.10315	0.8
343.15631	0.8
375.19864	1.6
375.24017	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00468	0.5
55.01764	1.4
57.03325	1.4
58.00480	0.8
59.01254	17.6
67.36973	0.5
69.03333	0.7
69.35557	5.7
71.01253	13.2
72.99172	1.4
73.02822	3.6
83.01275	2.8
83.04904	0.6
85.02823	7.3
85.99965	0.6
87.00755	1.4
89.02321	5.7
91.91614	0.5
95.01260	1.8
98.20511	1.0
99.00758	1.4
101.02311	7.3
112.01548	0.6
113.02316	3.2
119.03394	1.3
129.01849	0.9
184.06715	0.5
195.13869	5.5
197.15372	5.3
209.54982	0.6
213.14905	22.1
214.15218	1.3
217.00351	0.8
306.89471	0.6
357.19208	2.1
375.20230	100.0
376.20578	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
61.65303	1.8
63.07572	1.7
69.94262	10.6
93.00004	2.0
159.08418	9.1
161.06299	3.6
209.01286	1.8
211.76125	1.7
217.07208	2.4
218.18343	1.7
218.21370	1.7
277.07211	2.8
289.07568	2.0
291.09097	100.0
292.09360	9.1
303.28339	1.8
309.10144	2.2
359.15350	91.8
360.15500	16.7
375.18558	5.4
387.78714	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	375.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54799	3.0
59.01254	39.9
63.96112	59.1
71.37367	8.2
75.03239	2.8
78.95779	3.5
79.95605	100.0
80.96389	5.6
86.77180	3.3
96.95879	6.6
132.99597	4.0
145.02834	3.9
159.88870	3.0
174.99190	9.6
183.13831	13.3
191.07411	25.5
195.13928	4.8
201.11227	5.5
217.00227	37.9
230.80974	3.8
235.62627	3.3
254.47383	4.1
277.21667	4.0
293.21454	5.7
295.22726	23.3
354.85684	3.5
357.17386	3.9
375.18524	45.6
375.23163	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	375.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
63.31180	3.2
71.56942	5.0
80.96369	4.9
83.27303	3.1
98.55444	3.1
127.41786	3.3
152.08125	3.6
159.08350	9.5
161.06351	4.0
169.67784	3.0
177.93239	3.5
209.01245	3.5
291.09097	100.0
292.09152	16.3
309.09863	3.5
322.58813	3.4
348.16510	3.5
357.13696	4.2
359.15338	100.0
360.15424	16.4
375.18378	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1307
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
50.48412	0.5
54.63614	0.4
57.03304	0.6
58.00471	0.5
59.01257	7.5
70.06722	2.1
71.01260	5.1
72.99179	1.2
73.02805	0.6
73.97935	0.5
74.02319	0.6
83.01273	0.5
84.54099	0.5
85.02813	2.1
88.16279	0.5
89.02307	3.3
101.02324	4.3
111.00752	4.0
113.02309	1.3
119.03383	1.8
130.06459	0.6
133.04974	0.5
133.67508	0.4
138.08440	0.5
144.08038	1.5
145.07613	0.5
147.06590	0.5
147.27124	0.4
148.63647	0.5
150.03091	1.6
154.99760	0.8
161.04494	0.8
165.05504	1.0
169.07668	0.8
173.00829	1.2
177.09090	0.9
179.05602	0.4
184.08766	3.3
185.07106	0.7
191.01860	0.6
195.06558	0.9
197.05901	1.5
198.06656	6.3
212.08232	27.4
213.08591	1.9
218.99667	0.9
224.08067	0.6
240.06511	4.4
241.07268	26.9
242.07549	1.1
243.08762	0.5
255.08842	100.0
256.09183	7.1
257.10382	0.8
272.05560	1.1
287.07837	0.6
314.58777	0.5
345.52231	0.5
357.15396	1.6
375.12268	3.6
375.16980	6.6
376.13565	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03410	0.5
59.01248	10.1
69.27469	1.1
69.27879	4.8
71.00877	0.6
71.01252	11.9
93.03381	1.7
96.95934	1.3
98.20321	2.4
99.92519	1.0
102.05524	2.1
127.07550	0.9
164.08311	1.6
165.12781	0.7
174.99191	2.5
177.09094	3.7
186.68033	0.5
190.09976	2.7
192.11455	8.4
193.11966	0.5
201.02495	0.7
205.12245	3.3
207.13811	1.7
210.85014	0.6
211.13313	0.7
217.00246	9.5
218.09435	2.5
220.14629	45.0
221.15405	100.0
222.15736	7.1
231.17444	0.7
235.13231	1.9
236.10489	93.5
237.10841	8.6
258.08795	0.7
260.41428	0.6
264.08450	1.1
275.16495	0.8
285.01367	0.7
292.11725	0.9
293.17590	43.5
294.17899	6.3
316.44394	0.7
318.09470	6.6
319.09665	1.7
321.15366	2.4
335.13159	1.3
339.15775	4.0
340.16055	0.6
374.98965	0.9
375.17880	9.4
376.17932	1.1
376.25040	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	374.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20655	0.2
59.01250	2.7
65.62478	0.2
69.04229	0.2
70.91376	0.4
86.79613	0.2
91.15443	0.2
96.95896	1.0
97.51881	0.2
98.20030	0.3
100.07578	0.2
101.05984	1.0
120.64356	0.2
124.07549	0.6
165.10291	0.2
174.99152	0.7
189.10260	0.5
206.13068	0.3
217.00269	2.8
221.26205	0.2
232.10863	11.6
233.11237	0.7
260.10168	0.2
272.17532	0.4
276.09869	0.2
289.17969	1.7
290.18726	2.9
316.16617	1.6
317.17239	0.2
318.18280	0.4
339.37778	0.2
358.21320	0.7
374.24454	100.0
375.24792	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	375.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
64.07122	11.0
66.59096	13.0
70.03590	56.5
72.99187	94.2
81.79211	10.7
84.59991	14.4
86.74803	10.8
89.01711	13.3
93.03336	64.6
96.01558	13.1
115.72799	11.3
121.02846	100.0
123.04411	42.8
131.91763	12.4
133.02823	33.2
144.84805	12.2
147.74361	11.7
151.03896	92.8
153.14291	12.4
170.27457	11.2
183.63199	10.8
185.73743	12.6
346.99478	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	374.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41794	42.3
53.95334	47.5
55.65252	40.0
56.68971	38.9
59.31798	40.3
61.92716	43.6
71.19927	58.3
71.20252	70.1
80.74265	43.1
110.92494	41.2
118.77939	42.8
130.08675	77.5
166.03267	40.7
180.28305	38.1
243.06071	100.0
348.85025	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	3.1
58.99462	2.4
59.01247	4.1
68.02411	0.6
69.35329	4.9
71.01249	1.4
71.04885	0.9
73.01023	0.6
73.02820	2.6
74.98963	1.5
78.95773	23.8
81.06962	0.9
85.02820	2.6
86.02348	32.7
87.02649	1.0
87.04389	10.6
96.96834	1.0
97.06413	0.7
99.02617	35.4
101.00563	2.9
101.05937	1.3
115.02194	0.7
119.01617	9.4
121.77423	0.6
122.05986	0.7
126.99489	1.1
132.04460	1.1
151.11200	1.3
152.07063	1.5
153.07394	1.7
168.12161	0.6
177.03122	2.1
205.15897	1.1
211.13289	0.8
212.13573	1.8
217.00272	2.5
244.87056	0.7
268.15445	3.4
269.15802	14.6
270.16046	1.1
287.16852	100.0
288.17178	8.2
298.12820	1.0
342.11664	1.8
351.85803	0.6
369.11563	0.6
374.06888	4.0
374.15344	0.9
374.20007	16.0
375.20535	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	373.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73600	0.3
59.01249	14.6
68.02405	0.3
71.01284	0.3
71.58492	0.6
73.06762	0.3
80.02512	0.3
93.03326	3.1
95.04902	0.4
97.06450	0.6
106.04121	0.3
106.58490	0.3
119.04900	0.6
125.05956	0.5
148.08804	1.6
149.09607	0.4
150.10408	0.9
151.11188	0.9
152.99504	0.3
163.11169	1.2
165.12762	22.9
166.13060	1.3
175.11174	0.5
176.11932	0.6
177.12646	0.4
190.22540	0.3
191.14308	0.8
217.15935	0.8
244.10774	4.3
245.19196	0.3
247.20656	12.2
248.20988	1.2
273.18597	6.5
274.18991	0.9
291.19659	100.0
292.19992	10.8
297.15155	0.4
313.17847	14.4
314.18173	1.4
341.11304	0.3
373.19943	11.9
374.20346	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.9
59.01252	21.8
72.11201	0.7
80.34956	0.7
80.96385	1.1
85.05179	0.9
93.06952	1.6
96.95889	16.0
97.06471	1.2
98.19743	2.1
101.88867	0.7
111.07999	1.5
119.08549	0.8
121.09274	1.3
121.10113	17.6
123.08060	1.6
125.09612	6.4
139.11147	1.0
143.86702	0.7
146.39113	0.9
147.08080	1.4
151.03828	0.7
153.50662	0.8
178.46948	0.7
185.11765	12.2
196.73709	0.8
197.11708	4.2
207.09918	4.1
209.11780	1.7
211.13371	1.3
217.15839	0.8
223.13403	1.4
229.97766	1.0
245.19057	6.5
246.19299	0.8
291.19644	67.8
292.20172	7.1
295.16827	1.0
311.16418	0.9
313.17841	100.0
314.18185	10.8
332.41653	0.8
373.17038	2.4
384.48322	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02838	0.5
59.01239	1.8
67.34801	0.3
69.72858	2.0
71.01251	0.6
74.02351	0.7
82.02856	0.7
84.04422	2.6
91.76397	0.4
91.80256	0.4
93.03351	0.4
96.95913	0.6
97.03980	0.7
98.02342	0.7
99.05489	0.5
101.07094	1.5
102.05482	12.3
107.02425	0.4
109.03952	3.8
111.00813	0.5
124.38453	0.4
125.03470	3.1
127.05031	16.2
128.03427	16.3
129.03920	0.4
132.33952	0.4
145.06091	100.0
146.04494	37.1
146.06224	2.6
147.06424	0.4
172.76768	0.4
182.76881	0.4
209.11751	4.8
214.23213	0.4
227.12823	3.2
243.95476	0.4
266.08630	0.4
267.08914	0.5
295.07242	0.4
352.50620	0.4
373.19928	0.5
374.18188	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65964	1.1
57.03325	2.5
59.01261	11.7
71.01265	3.1
71.04874	1.7
73.02831	4.2
78.95805	1.4
79.95580	1.2
83.04900	3.0
85.06468	2.3
87.11507	1.3
88.77956	1.1
89.02343	1.6
95.04927	1.1
96.95895	1.5
97.02811	3.6
97.06465	2.4
98.86166	1.2
99.00762	12.5
99.70110	1.1
101.02326	3.8
109.06430	1.4
113.02357	2.6
123.08109	1.5
125.09638	11.4
127.07569	1.2
129.05447	2.4
142.02599	1.4
147.06552	1.5
151.87480	1.4
163.11159	6.2
171.10156	3.4
172.86882	1.3
181.12256	12.0
187.09686	9.3
193.08624	1.2
197.11714	1.6
199.13350	9.5
207.10211	27.4
208.59444	1.3
211.13335	2.9
213.11215	1.6
215.92091	1.3
225.11311	43.7
243.12369	100.0
244.12772	5.7
254.17441	1.7
255.15961	11.6
272.18741	3.9
273.18988	3.5
337.08710	1.5
373.10883	1.8
373.18466	5.4
373.22638	2.5
373.27850	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1867
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01748	1.2
57.03305	2.0
58.00451	4.4
59.01250	100.0
69.46008	1.7
69.46411	5.4
71.01253	53.1
72.99168	5.1
73.02825	1.6
79.06145	0.9
79.95583	1.8
83.01245	3.4
85.02820	11.5
87.00726	2.3
89.02317	65.4
95.01263	5.1
99.00773	1.5
100.67882	0.7
101.02322	41.6
113.02325	25.2
119.03387	34.8
120.03704	1.0
120.75498	1.0
122.06001	2.3
131.03394	2.4
132.04449	6.4
143.03369	2.6
149.04457	2.1
152.07072	5.8
161.04456	2.5
179.05545	5.3
193.12277	8.9
211.13397	2.0
297.12418	2.6
311.10324	2.1
341.11487	8.6
342.11740	1.3
343.12982	1.7
373.14032	4.2
373.18564	40.3
374.18976	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	373.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.9
59.01258	7.9
60.13124	1.0
69.03315	1.3
71.01260	1.6
71.04893	2.5
71.28180	2.2
73.02814	2.8
75.00757	1.3
78.95778	1.9
81.03350	1.1
83.04903	2.1
85.02839	1.3
97.02821	6.3
97.06467	5.0
99.00751	9.0
99.04379	1.5
109.02843	3.8
109.06458	2.0
125.09624	22.3
142.02621	1.2
147.06534	1.4
155.14359	1.4
163.11185	6.2
169.12268	1.4
171.10222	7.3
181.12274	14.1
187.09691	25.3
199.13377	11.4
201.11319	2.2
207.10205	24.8
213.11414	1.5
219.13873	1.9
225.11275	37.4
226.11566	2.7
237.14937	3.0
243.12354	100.0
244.12695	6.5
253.14238	1.2
255.15971	2.6
263.12787	5.1
272.90701	1.2
275.16602	1.2
299.14960	1.8
364.01178	1.2
373.18414	5.7
373.22211	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38109	1.1
53.84757	1.0
58.93613	1.3
59.01250	100.0
60.01604	1.5
70.86284	3.4
71.01247	6.9
73.02818	1.6
74.02341	1.2
85.02828	3.5
101.02298	5.7
101.34705	1.1
113.02317	3.3
143.03450	1.1
151.07561	26.9
161.04486	8.7
343.19815	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	373.1688
Annotation	Hydroxyzine
Peak:m/z	Relative Intensity
57.03331	0.7
59.01250	3.3
61.98702	0.9
63.96110	46.7
64.96888	1.2
68.02412	0.8
69.34953	5.0
71.01292	0.6
79.95607	100.0
80.96391	19.9
85.02827	0.6
87.04343	0.6
96.95890	7.0
115.91971	1.0
119.40477	0.6
119.98753	2.9
121.02856	0.7
129.40376	0.6
132.04459	1.3
132.99547	2.6
137.09608	1.0
149.02666	0.8
152.07080	0.9
171.10175	2.3
173.06273	3.4
183.13821	10.7
189.05836	16.8
190.06134	1.0
195.13841	2.3
201.11226	3.5
223.13342	1.1
223.16873	2.8
235.16933	1.1
245.08443	2.2
263.09518	2.5
275.20139	3.7
291.19772	3.4
293.21222	19.6
294.21466	1.5
316.38269	0.6
341.11481	1.4
355.15897	5.7
373.16843	38.8
374.17111	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96291	0.4
59.01251	5.7
69.25357	4.1
71.01247	0.8
73.02836	0.5
83.01290	0.3
85.02807	1.0
94.06455	0.5
98.13129	0.4
101.02307	0.7
104.04938	3.0
106.06484	0.9
107.03657	1.2
111.00764	0.5
116.04917	0.7
122.05999	10.9
123.02627	8.2
124.02921	0.5
130.08626	1.6
131.03659	0.5
131.08968	0.5
132.04440	100.0
133.04022	0.4
133.04810	4.4
134.06021	2.3
139.02596	0.7
144.04443	2.3
146.06052	0.9
150.05505	1.0
152.07069	33.3
153.07394	1.2
162.05507	0.8
164.07077	22.5
165.07446	0.8
176.07047	0.6
196.49406	0.5
199.13206	0.4
239.11818	0.7
255.03429	0.5
267.11371	0.4
269.12949	0.5
278.02655	0.4
297.12415	42.6
298.12732	3.8
329.15042	25.7
330.15402	2.5
341.11423	1.6
373.20880	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	9.9
59.68970	0.5
61.44260	0.4
68.99686	0.4
69.35612	2.7
69.36039	1.3
71.01246	0.9
71.62067	0.5
73.02824	0.5
79.95610	1.4
80.04929	2.4
85.02809	0.7
87.00717	0.6
94.06490	3.5
101.02323	1.3
103.04160	0.7
104.04947	10.5
106.06506	0.9
107.03631	6.9
108.04431	10.1
109.04794	0.4
113.02258	0.4
120.04441	0.8
122.06008	47.7
123.02650	2.6
123.06351	1.5
124.07517	2.1
132.04446	83.6
133.04800	3.6
134.06006	3.7
137.84927	0.4
139.02670	2.0
144.04465	1.0
147.03134	0.5
148.03947	6.9
150.05475	1.9
152.07074	92.6
153.07474	3.6
160.03940	1.2
164.07077	0.6
166.05072	0.4
167.10724	0.4
176.03442	10.7
177.03777	0.4
188.03421	1.6
189.04211	0.5
190.04932	0.6
208.06113	4.4
262.03189	0.4
269.12903	5.3
273.12476	6.9
274.12796	1.0
285.51740	0.5
297.12424	30.5
298.12747	3.5
313.11960	5.1
341.11398	100.0
342.11716	10.4
373.09189	0.7
373.13940	13.9
373.18439	0.9
374.14154	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	5.2
69.80602	0.4
71.01245	0.7
71.57720	0.5
71.58099	0.6
80.04912	0.9
85.02842	1.1
94.06492	2.4
104.04960	4.0
106.06553	0.5
107.03657	4.3
107.04916	0.6
108.04426	5.0
119.15451	0.4
120.04437	0.6
122.06011	30.1
123.06336	0.7
124.07589	1.9
132.04449	70.9
133.04796	3.0
134.06033	2.7
139.02628	0.8
144.04512	0.6
148.03987	2.1
150.05484	1.9
152.07079	77.9
153.07439	2.9
160.03966	1.1
166.57771	0.5
171.10097	0.8
176.03441	6.4
188.03456	1.4
215.12746	1.1
269.12939	3.7
273.12415	4.0
275.99835	0.4
297.12439	26.7
298.12769	2.5
313.11996	4.0
341.11401	100.0
342.11716	9.8
373.14035	3.2
373.18243	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	6.7
69.37579	3.5
71.01243	0.7
83.36333	0.4
85.02838	0.7
87.00732	0.7
98.19791	0.6
98.20452	1.3
101.02342	0.4
102.58253	0.4
104.04924	3.3
106.06513	0.8
107.03653	1.3
116.04914	1.2
121.05185	0.5
122.06005	11.3
122.90939	0.4
123.02637	9.4
128.85698	0.4
130.08638	1.7
130.90837	0.4
131.03662	1.0
131.08928	0.6
132.04445	100.0
133.04800	4.4
134.06015	3.1
139.02684	0.8
144.04466	2.2
146.06017	0.8
148.03951	0.9
150.05482	1.0
152.07077	33.7
153.07407	1.3
162.05513	1.1
163.28918	0.4
164.07079	21.9
165.07431	0.8
169.96487	0.4
207.03955	0.5
239.11565	0.6
269.12915	0.5
297.12421	32.0
298.12775	3.1
303.84036	0.5
313.12094	0.4
329.15060	22.6
330.15399	2.7
341.11584	1.0
373.20807	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1816
Annotation	3-epi-2,18-Dimethoxyschelhammericine
Peak:m/z	Relative Intensity
57.39480	0.6
59.01248	4.0
64.00609	0.6
68.02413	4.2
70.45239	2.1
71.01238	0.8
85.02814	1.0
87.28792	0.7
93.03337	12.8
106.04119	1.5
107.04919	1.0
108.01987	0.7
126.99443	2.1
149.05728	4.6
170.05971	2.3
178.15933	1.1
184.07594	2.7
196.07608	2.1
199.09964	3.2
204.13828	1.5
211.09886	0.7
222.14943	2.2
234.14937	1.9
235.15671	1.7
266.14032	1.0
282.18729	1.6
284.20209	5.9
310.14456	0.8
310.18127	27.3
311.18414	2.8
326.17523	2.2
328.19174	91.5
329.19543	8.9
336.15991	3.3
354.17133	7.2
372.18152	100.0
373.18604	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1184
Annotation	N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide
Peak:m/z	Relative Intensity
55.00768	0.3
59.01245	1.8
66.00836	0.3
68.02407	89.6
69.02111	0.3
69.02750	0.5
70.91541	0.8
71.01241	0.5
78.31204	0.3
78.95778	0.9
79.95630	0.5
82.28880	0.4
92.02407	0.5
107.03514	6.0
120.83004	0.3
121.20638	0.3
122.06004	0.4
126.99454	41.3
127.99788	1.0
128.99202	0.5
149.05714	100.0
150.06195	2.0
164.08127	2.0
165.08531	0.6
188.35812	0.3
233.11546	2.0
245.11487	4.3
268.55972	0.3
341.11111	0.6
373.11749	3.5
397.18622	0.3
397.60080	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	3.8
68.02410	0.7
69.31647	2.9
69.32062	0.9
71.01254	0.7
73.18435	0.4
85.02823	0.8
93.03336	25.0
98.20554	0.8
100.10906	0.4
107.04900	2.3
108.02062	1.8
119.04929	1.5
121.02830	1.0
132.04381	0.5
135.04382	0.5
147.04430	0.6
153.13661	0.4
164.14281	0.4
184.07594	0.4
190.12282	2.5
190.15930	1.0
196.07629	0.5
198.05586	1.0
200.07108	1.0
204.13858	0.8
208.13400	2.6
211.06282	0.8
212.07083	5.0
213.07863	2.7
216.13815	0.4
222.14951	3.2
224.07098	1.1
234.11382	0.5
234.14903	2.3
252.16039	6.6
253.16400	0.5
282.18658	0.5
296.16583	1.0
298.18262	0.5
300.15991	1.2
308.16556	1.3
318.91769	0.4
324.16019	9.0
325.16464	0.7
326.17606	0.9
328.15677	0.9
331.24939	0.4
336.16031	6.1
341.11423	0.5
342.17038	3.7
354.17099	16.5
355.17584	1.9
372.18146	100.0
373.03110	0.5
373.18475	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	371.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	6.0
59.01254	100.0
63.67233	3.8
65.40585	3.6
69.87858	9.7
69.88275	14.8
71.01244	18.4
71.04901	6.1
76.99306	3.8
78.95771	4.1
85.02829	7.4
87.04367	6.5
87.51437	4.8
98.19844	4.7
101.02349	4.2
123.17014	4.3
164.07088	8.7
171.13869	4.3
189.35597	4.1
190.12325	4.1
219.13768	4.2
249.15015	7.1
251.16481	12.1
264.68826	5.4
265.21753	11.0
267.23245	6.2
281.17496	5.1
283.19272	7.2
311.22244	6.4
329.23370	40.3
371.12521	15.9
371.24295	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.158
Annotation	7beta-Hydroxycatuabine D
Peak:m/z	Relative Intensity
57.03322	0.3
59.01253	2.7
60.01595	0.4
62.96289	0.3
68.78586	0.2
70.54305	0.7
71.01244	2.0
72.99197	0.3
78.95775	100.0
80.96384	0.3
85.02823	1.4
86.03175	0.5
89.02315	0.4
95.01240	0.3
96.95872	0.6
96.96838	9.7
101.02323	0.5
101.45841	0.3
122.06031	0.3
122.98459	0.6
123.02599	0.5
125.00106	0.3
132.04460	1.4
133.04951	0.3
138.15044	0.2
140.01106	2.0
150.03111	0.2
150.97972	0.4
151.03946	0.4
152.07108	0.7
152.99487	17.5
158.09650	0.4
167.03368	0.3
168.00703	0.2
171.00552	22.4
171.10197	0.4
172.00922	0.3
174.12846	0.7
191.01941	0.3
192.02246	0.3
192.99551	0.8
194.02220	0.4
209.02982	1.2
210.03348	0.9
211.13277	0.7
214.04807	4.7
229.14459	1.6
236.13907	0.3
297.12347	0.3
298.12125	1.5
329.14963	0.2
372.15790	37.6
373.15945	2.8
373.18906	2.2
388.56830	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57637	1.7
59.01253	100.0
68.61572	1.7
71.06051	3.2
82.67683	1.9
82.99270	1.8
91.20492	1.7
111.70046	1.7
130.04144	10.2
131.04918	36.7
144.52065	1.7
149.05991	97.5
150.06331	6.6
269.31598	1.8
283.15692	1.8
283.34442	2.2
345.09970	1.9
346.96094	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	371.1608
Annotation	GS-2
Peak:m/z	Relative Intensity
59.01250	4.1
59.53947	0.2
69.29269	2.6
78.50624	0.3
85.02846	0.7
93.03342	0.8
98.20023	1.1
104.04907	0.4
105.01843	0.5
106.01230	0.3
108.08080	3.5
121.02841	0.3
121.05217	5.0
129.44800	0.4
130.02869	1.9
131.03667	3.2
132.04457	5.5
134.06004	0.3
135.03151	0.9
136.07578	100.0
137.02335	0.9
137.07947	3.6
144.04494	0.4
146.06010	1.6
147.03142	0.7
148.03973	1.5
152.03455	1.0
153.04224	3.3
158.02385	7.7
160.03964	0.9
162.05531	3.8
164.07077	0.4
175.02663	0.3
176.03448	2.2
190.05020	30.0
191.01912	0.5
191.05388	1.7
192.06606	0.4
202.05064	0.3
209.03001	1.3
222.07657	26.3
223.08020	1.5
234.07668	1.5
244.55623	0.3
251.11783	0.3
258.01651	0.3
299.24826	0.3
311.14145	0.4
324.11078	0.4
329.23184	0.5
339.13474	3.7
340.13806	0.3
343.16797	1.4
371.16071	46.9
372.16357	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	371.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32631	1.4
59.01250	100.0
69.61017	3.3
69.61441	6.0
85.02806	2.3
93.03331	11.9
103.65504	1.6
111.00697	2.2
127.05026	6.0
128.03471	2.8
131.92020	1.4
136.03880	1.4
145.06058	6.4
148.29808	1.2
209.03032	2.0
247.07184	3.7
265.08282	9.7
358.81436	1.3
371.12244	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	371.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
59.39949	0.9
71.06217	2.9
73.51579	1.0
78.00806	1.0
79.37038	1.0
85.42121	1.0
89.68644	1.2
115.85145	1.0
130.04144	8.6
131.04939	36.9
132.05260	2.6
149.06000	90.9
150.06354	3.9
167.44113	1.1
269.41245	1.1
283.32297	1.3
379.90952	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	23.3
62.99582	0.9
67.85878	0.8
71.34328	1.6
82.02851	2.0
84.04424	2.5
85.02803	1.3
93.03333	76.0
94.03674	1.3
101.07069	1.5
109.03971	1.7
111.00749	2.9
118.02855	3.8
125.03448	2.1
127.05027	49.1
128.03427	31.1
128.05392	1.1
136.03929	5.4
137.02307	1.4
145.06087	58.3
146.06467	1.5
153.02954	2.3
171.04057	11.0
172.06058	0.8
176.07045	1.7
203.08200	2.6
209.02892	2.0
221.09256	6.3
247.07224	25.3
248.07610	1.4
251.10358	7.8
265.08279	100.0
266.08618	4.2
277.08215	1.1
303.70288	0.8
371.07690	1.4
371.12408	27.5
372.12695	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	371.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01590	0.9
60.32497	0.5
69.80544	3.5
71.01239	0.6
85.02854	1.2
93.71503	0.5
98.19678	0.6
103.44040	0.5
123.50319	0.6
144.18694	0.5
149.20709	0.5
207.31000	0.6
209.03040	1.9
221.05084	0.5
260.36301	0.5
271.42850	0.5
274.48053	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.8
59.01246	4.5
63.34766	0.7
63.71077	0.7
67.01746	0.8
71.01245	1.7
71.34250	1.4
72.99178	1.4
74.02344	1.0
75.00738	1.6
80.23095	0.8
82.02866	1.9
84.04410	4.8
85.02821	9.5
89.02322	1.3
91.92268	0.7
93.03336	100.0
94.03684	2.5
98.02306	0.9
101.07059	1.6
109.03968	3.4
111.00764	22.8
113.02380	0.7
118.02877	6.3
118.72884	0.8
120.04427	1.2
121.02801	4.3
125.02619	0.7
125.03474	3.4
127.05025	54.2
128.03427	30.6
128.05426	1.2
129.01857	0.9
135.04376	1.1
136.03952	8.1
137.02328	3.2
145.06091	58.0
146.04536	1.3
146.06383	1.2
153.02985	3.0
154.99779	2.2
171.04008	9.4
173.00792	7.1
191.01924	2.0
203.08203	2.6
204.06618	0.8
209.02972	5.3
221.09279	4.8
247.07205	18.9
249.06107	1.7
251.10417	5.0
265.08279	71.9
266.08585	4.1
275.71100	0.7
309.12943	0.8
371.12640	17.2
372.13022	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0772
Annotation	7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
52.55946	0.2
59.01250	7.1
62.56794	0.2
66.81491	0.2
69.28510	0.2
71.01272	0.2
71.58112	0.3
85.02814	1.3
93.03345	0.5
93.41698	0.2
107.27853	0.2
110.84645	0.2
121.02841	100.0
122.03169	3.8
135.04459	0.3
149.02345	0.7
150.01718	0.5
160.05182	0.2
162.74968	0.2
179.03413	9.8
180.03741	0.7
181.06541	0.4
191.01938	0.5
197.06093	0.3
207.08813	0.3
209.03004	1.8
211.13484	0.2
225.05571	0.6
239.07111	0.5
245.05089	0.6
265.16626	0.2
283.06067	0.4
311.11768	0.5
339.15607	0.3
371.07706	11.2
372.07983	1.1
372.12753	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	371.083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	71.6
61.71402	12.7
61.98699	15.1
63.49687	12.1
69.03307	11.8
69.59604	83.7
71.01263	97.3
72.99199	76.4
73.02824	13.2
75.00748	35.5
78.95780	18.3
83.73792	14.6
85.02836	27.7
87.00754	78.9
88.16745	11.4
89.02316	52.6
99.00739	36.3
101.02327	65.3
103.00244	100.0
113.02340	51.9
115.00265	16.4
117.01810	44.3
119.03395	14.4
125.02261	13.8
129.01808	27.4
131.03384	19.8
133.01312	23.0
141.01880	12.7
143.03381	14.3
147.02911	11.5
149.04463	11.3
159.02881	20.1
163.02382	27.7
175.02281	11.4
177.03990	12.1
191.01929	27.7
193.03435	64.9
223.04298	11.0
231.70992	12.5
282.73413	12.7
353.07516	13.4
371.08215	45.1
371.12073	25.3
381.55304	12.8
382.11972	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	371.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.3
57.03325	10.7
59.01247	15.9
68.99689	1.2
70.37432	2.0
71.01254	10.5
71.48407	0.6
72.99187	3.1
73.02821	0.9
75.00723	2.5
78.95763	0.5
82.53519	0.4
83.01245	2.5
84.02036	2.6
85.02821	71.8
86.03147	1.1
87.00759	1.8
89.02308	4.1
91.01772	0.5
97.02833	0.6
101.02333	1.4
103.00239	1.7
111.00755	3.7
115.00283	1.0
129.01823	6.4
133.01309	4.6
135.04407	4.2
145.01324	0.5
145.06108	1.0
147.02872	4.8
151.00208	0.6
152.01051	1.1
167.03392	1.2
173.00853	1.7
178.99814	0.6
179.03419	1.7
191.01907	25.8
192.02231	0.6
207.10226	0.7
209.02968	100.0
210.03305	2.3
219.13930	0.5
225.11200	0.6
371.06146	1.6
371.18323	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	371.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.0
57.03326	8.8
59.01254	5.4
68.99683	1.3
70.86713	0.9
70.87027	1.5
71.01254	8.2
72.99186	2.1
75.00745	2.3
83.01242	1.1
84.02043	2.0
85.02824	58.7
86.03167	1.0
89.02341	3.6
101.02354	0.9
103.00237	0.9
111.00777	2.8
115.00253	0.9
129.01825	6.0
133.01324	3.5
135.04402	3.1
147.02904	3.5
173.00821	1.6
179.03394	1.3
188.70020	0.8
191.01895	23.9
209.02965	100.0
210.03307	3.0
315.80756	0.7
319.64835	0.7
329.77957	0.7
354.49637	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77906	0.1
55.01753	1.2
56.99701	0.1
57.03322	8.6
58.00462	0.2
58.03646	0.2
59.01245	6.8
60.01588	0.1
61.98712	0.2
68.99688	1.0
71.01248	10.2
71.56617	0.1
72.01584	0.1
72.99174	2.5
73.02809	0.6
74.98960	0.4
75.00742	2.6
83.01250	2.0
84.01537	0.1
84.02036	2.1
85.02818	71.7
86.03152	1.5
87.00746	1.9
89.02314	4.5
94.73959	0.1
95.95113	0.3
96.95892	0.8
99.00755	0.5
101.02320	0.9
103.00237	1.6
103.00867	0.1
111.00757	3.8
112.01096	0.1
113.02331	0.1
115.00249	1.1
117.01828	0.1
129.01828	5.9
130.02196	0.1
133.01315	5.2
134.01746	0.1
134.03639	0.5
135.04410	4.1
136.04733	0.3
137.02303	0.1
145.01317	0.2
147.02885	4.9
148.03214	0.1
161.02379	0.2
163.02322	0.1
165.03882	0.1
173.00829	1.9
179.03426	1.7
180.03889	0.1
191.01894	24.5
192.02252	0.8
209.02959	100.0
210.03297	3.1
220.62480	0.1
238.39688	0.1
295.10251	0.3
310.84384	0.1
353.05151	0.1
371.06058	0.4
371.09778	0.1
372.04297	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.8
59.01261	3.6
67.01758	2.8
69.66190	5.1
71.01247	1.5
72.99181	4.8
73.02802	1.1
83.01262	3.4
85.02820	19.4
89.02331	0.9
92.36887	0.6
93.03333	3.0
99.00751	1.0
101.02322	2.4
103.21610	0.7
107.04934	1.3
111.00761	100.0
112.01092	3.6
121.02834	2.7
126.70646	0.7
127.05095	0.9
129.01790	3.8
135.04405	2.9
145.06082	1.6
153.05472	1.2
154.99765	14.5
173.00830	38.8
174.01128	1.5
181.34785	0.6
191.01915	5.3
194.06218	0.7
196.81577	0.7
197.04446	2.5
209.02948	10.7
239.91859	0.7
248.67220	0.8
265.08325	2.6
266.76059	0.7
352.32727	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.9
57.03322	11.8
58.00460	0.6
59.01247	9.9
61.30655	0.2
68.99686	1.4
69.73655	1.1
71.01251	12.7
72.99175	3.4
73.02833	0.6
73.24373	0.2
75.00742	3.0
83.01260	2.4
84.02036	3.0
85.02821	88.4
86.03143	1.6
87.00745	2.3
89.02312	5.3
99.00748	0.5
101.02306	1.2
103.00250	1.6
109.04239	0.2
110.37201	0.2
111.00762	4.6
115.00256	1.5
129.01826	7.0
133.01317	6.0
133.02858	0.3
134.03641	0.6
135.04399	5.0
136.04739	0.3
145.01302	0.4
147.02890	5.3
149.05984	0.4
173.00833	2.0
179.03407	1.6
191.01892	27.8
192.02251	0.8
209.02960	100.0
210.03296	3.3
223.95070	0.3
239.99232	0.2
259.63580	0.2
259.67062	0.2
371.06268	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51770	1.2
55.01761	2.1
57.03320	9.2
59.01245	14.0
68.78852	1.3
68.99685	1.7
70.59091	4.6
71.01257	9.6
72.99164	1.8
74.98966	5.2
75.00738	3.7
83.01250	2.2
84.10175	1.5
85.02822	80.4
86.03183	1.7
89.02298	4.4
95.95111	2.9
96.95882	7.5
97.95787	1.4
107.64521	1.6
110.71558	1.6
111.00746	3.4
113.02274	1.5
116.68510	1.5
125.02286	1.7
129.01854	7.8
133.01305	4.5
135.04401	4.0
137.02370	6.3
147.02901	5.1
155.03476	1.8
173.00819	2.2
191.01920	28.6
202.81261	1.6
209.02972	100.0
210.03252	3.6
245.29309	1.5
267.40366	1.7
311.89142	1.5
325.88437	1.6
331.42624	1.7
372.04190	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	370.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.4
62.16201	0.3
69.64525	1.3
69.64954	0.9
74.02353	1.1
78.95776	12.7
86.02303	0.3
104.61292	0.3
122.00100	0.3
126.73799	0.3
127.11166	5.6
128.11504	0.5
130.08652	0.4
133.60794	0.3
140.01088	3.9
152.99496	1.4
155.10672	1.1
160.51378	0.3
168.21762	0.3
171.10136	0.9
171.44392	0.3
173.11749	100.0
174.12070	4.4
196.03731	7.4
212.81686	0.3
214.04773	1.7
326.16104	0.9
370.16302	19.5
371.16641	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	370.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	6.4
62.41249	0.4
71.57069	0.6
72.31839	0.6
76.56550	0.4
78.95780	3.9
80.10508	0.5
85.02798	0.6
90.36082	0.5
93.03339	5.2
94.92110	0.4
120.01149	1.3
127.05008	3.8
127.11178	4.6
128.03455	2.7
140.01076	1.3
145.06120	3.8
152.99443	0.7
155.10764	1.2
171.04031	0.8
171.10170	0.8
172.17204	0.4
173.11755	100.0
174.12106	3.8
184.94748	0.6
196.03787	0.9
209.11858	0.5
214.04849	1.7
221.09380	0.9
247.07227	1.0
265.08276	6.7
294.96207	0.5
329.12439	0.7
338.77750	0.5
352.52997	0.5
370.12289	0.7
370.16382	8.7
371.12491	1.1
381.24756	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62159	1.8
57.03309	5.3
59.01250	10.4
69.48872	4.3
69.49289	14.2
71.01248	4.9
72.00772	4.3
72.04414	3.4
72.99250	1.8
74.02347	100.0
75.25416	1.7
78.95776	6.3
81.03321	3.4
83.04888	4.6
84.00775	3.7
84.04417	2.3
85.02817	2.5
86.02343	5.7
87.00719	2.5
89.02315	3.4
93.03332	3.5
94.06522	2.5
99.01839	1.8
99.04375	2.2
100.00296	9.0
100.03912	22.5
101.02316	3.3
107.85293	1.7
110.06010	2.2
111.08018	2.9
112.03906	3.0
112.07584	2.8
113.02326	2.6
118.04987	12.4
119.04917	3.7
122.05974	4.4
123.08056	2.1
126.05505	2.4
128.03407	4.6
137.09592	2.4
148.04008	3.2
152.86217	2.0
152.99506	2.1
155.78368	2.0
156.02884	2.6
156.06581	14.9
163.03911	2.2
166.04938	2.1
184.77713	2.2
200.09229	11.1
212.09259	2.2
290.13831	6.9
308.14767	10.4
326.16083	84.5
327.16428	4.4
363.74326	1.9
370.18680	51.0
371.07944	3.0
371.19156	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	369.228
Annotation	Thromboxane B2
Peak:m/z	Relative Intensity
53.27658	0.4
54.86750	0.4
59.01247	1.7
71.57883	0.7
74.44482	0.4
89.02319	0.9
91.03899	0.5
95.67817	0.4
137.06046	0.4
138.06741	0.5
140.73512	0.4
141.22711	0.5
151.07556	1.6
164.08322	0.5
170.05766	3.7
171.10202	0.6
233.19048	1.2
251.20096	2.0
277.18079	100.0
278.18393	9.3
293.21231	1.7
295.19135	54.1
296.19443	4.7
369.22797	65.8
370.23129	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	369.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59961	0.5
59.01267	2.5
63.67050	0.6
70.44917	2.3
70.45264	0.5
71.01272	0.8
82.83203	0.7
89.02364	1.3
91.03884	5.5
102.05513	0.6
108.40965	0.6
113.09650	1.0
124.43309	0.7
131.56660	0.6
151.07564	1.5
159.51558	0.7
164.08417	0.6
170.05791	4.6
171.10199	3.3
195.13828	6.7
233.19090	1.4
251.20142	2.2
275.20386	0.6
277.18106	100.0
277.21591	8.3
278.18411	7.7
293.21405	1.2
295.19180	55.7
295.22800	46.7
296.19547	5.6
296.23135	4.7
369.22803	72.5
370.23169	7.7
372.96024	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94506	0.9
57.03317	1.0
59.01244	9.5
61.86913	1.0
62.19995	0.9
71.01255	1.3
71.57054	1.2
75.84930	1.0
79.71717	1.0
85.02809	2.4
85.81383	0.8
87.65767	0.9
89.02320	2.7
91.03888	11.3
113.09613	1.6
136.64160	0.9
163.22406	0.9
165.31975	1.0
179.14241	1.7
187.74213	0.9
195.13846	15.9
196.14145	1.6
197.02718	3.5
242.68114	1.0
277.18387	1.6
277.21701	13.3
278.22198	1.3
295.22775	100.0
296.23126	8.5
297.24432	6.6
311.16830	11.5
367.29504	0.9
369.12915	1.7
369.17142	1.4
369.22025	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	369.228
Annotation	Diacarperoxide B
Peak:m/z	Relative Intensity
52.55823	0.8
57.03326	12.1
58.00484	1.6
59.01251	43.5
63.78308	0.7
66.15179	0.6
68.02426	1.6
69.30548	1.8
69.30953	5.7
71.01282	0.8
71.04902	1.6
73.02828	0.9
75.98312	0.7
76.10964	0.6
77.15405	0.7
85.02824	5.8
85.06466	3.5
87.04388	43.2
88.04729	0.7
96.95939	0.8
98.20153	3.3
99.08072	1.8
101.05921	1.6
117.02021	0.7
125.87196	0.9
126.88018	3.2
147.02875	0.8
156.89098	0.9
157.86249	0.7
188.69267	0.7
193.15964	2.7
206.68280	0.7
211.13470	0.8
221.15465	2.7
229.19514	0.9
239.16533	4.7
247.20589	1.2
309.10275	1.7
309.20703	23.3
310.21118	2.8
327.21762	100.0
328.22159	9.0
369.03250	2.7
369.12753	1.1
369.17990	1.3
369.22797	25.4
370.03528	0.8
370.22824	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	369.2281
Annotation	Thromboxane B2
Peak:m/z	Relative Intensity
55.39431	0.3
57.03318	0.3
59.01250	2.9
63.17214	0.3
69.35249	2.8
71.01265	0.3
89.02322	0.9
91.03888	3.7
109.06522	0.4
113.09615	0.4
123.04423	0.3
137.05946	0.5
138.06850	0.3
139.07564	0.3
151.07552	1.5
165.09131	0.3
170.05780	3.7
171.10176	2.7
179.14368	0.4
195.13889	4.4
233.19048	1.6
249.18497	0.6
251.20187	2.5
277.18094	100.0
277.21539	7.4
278.18420	9.0
278.21875	0.9
295.19162	53.3
295.22775	35.5
296.19501	4.6
296.23126	3.5
306.23953	0.3
369.22806	63.9
370.23117	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	369.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03260	0.4
59.01175	0.6
67.39217	0.2
69.39095	0.8
69.39524	0.7
71.01213	0.4
74.32430	0.2
78.95770	2.9
84.04340	0.3
84.49710	0.2
85.02821	2.3
85.78211	0.2
86.69035	0.2
93.03332	3.6
101.02264	0.3
110.98410	2.7
111.00690	0.3
127.05027	1.7
128.03333	0.4
129.01826	0.2
133.02797	0.4
136.03902	0.4
137.02211	0.2
142.92416	0.2
147.02863	0.5
149.75430	0.2
155.14310	3.7
156.14777	0.2
162.49414	0.2
167.00995	0.8
178.02611	0.3
183.13837	1.5
185.02116	2.8
189.05489	0.2
191.01851	0.5
199.13310	0.5
201.14893	100.0
202.15231	5.6
231.11261	0.3
232.09854	0.2
249.12494	1.8
258.48148	0.2
259.17203	0.2
263.08185	0.4
275.10516	0.2
321.92410	0.2
339.10107	0.3
351.13821	0.3
369.17087	7.2
370.17935	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1812
Annotation	beta-Yohimbine N-oxide
Peak:m/z	Relative Intensity
58.00470	5.7
59.01249	5.1
62.01734	1.4
65.99117	1.3
67.59994	1.1
67.88554	1.1
70.78271	2.1
70.78629	3.7
71.01244	1.6
72.69776	1.4
73.02824	1.5
80.88852	1.2
84.35590	1.4
92.45054	1.7
95.04914	1.4
115.03099	1.4
125.09629	4.3
127.07580	3.9
127.11183	4.7
155.10693	2.2
165.09052	1.6
171.10223	6.2
183.10120	2.2
183.13840	9.5
193.08397	3.4
201.11267	44.5
202.11691	3.1
213.14995	4.3
219.49741	1.4
223.09506	7.3
241.09247	1.8
241.14343	3.4
263.12662	4.3
275.20175	4.1
287.22250	1.8
293.21341	4.5
306.25113	1.6
309.20715	2.1
311.22275	76.0
312.22391	7.1
315.19458	2.7
316.40680	1.7
332.65283	1.6
333.20508	13.6
369.18112	100.0
370.18442	8.6
377.19330	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	369.0828
Annotation	5-Hydroxy-6-methoxy-7-O-beta-D-glucosylcoumarin
Peak:m/z	Relative Intensity
56.64743	2.0
59.01247	17.8
64.10770	1.8
70.29546	1.9
71.01251	13.0
71.16322	5.5
78.95770	5.0
85.02821	2.3
87.00731	5.2
89.02310	12.4
101.02309	6.3
111.08034	4.1
113.02349	4.7
117.02568	3.0
117.03356	48.0
118.03728	2.2
119.03367	5.4
119.04922	33.9
145.02867	100.0
146.03218	4.8
146.05969	4.4
147.04405	8.9
147.06317	2.3
163.03909	7.9
165.05527	3.5
189.01868	58.7
190.02184	2.0
207.02953	36.1
244.15309	2.2
309.18369	2.2
369.08234	81.1
369.12726	3.5
370.08447	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	369.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	16.0
68.94976	1.1
71.57086	1.9
80.03578	1.1
89.02311	1.4
92.18812	1.0
119.04884	1.3
124.96507	1.1
128.51085	1.1
147.04424	100.0
148.04715	4.9
296.23230	1.2
296.71912	1.0
307.01923	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.7
58.02846	6.2
59.01248	3.2
69.57401	4.7
71.01263	2.4
71.43626	0.6
72.00776	0.9
72.99167	1.2
78.95774	1.7
82.02869	2.3
84.04424	8.9
85.02831	10.8
87.00797	0.9
89.02328	1.6
91.05424	2.8
93.03335	100.0
94.03680	2.2
98.02335	1.2
98.19816	1.3
99.05532	4.2
101.02312	1.8
101.07079	3.1
104.23628	0.7
109.03986	5.0
110.98394	1.4
111.00771	1.2
113.02352	0.8
115.04211	0.6
115.04968	3.5
116.03435	2.3
118.02863	4.6
127.05025	41.7
128.03426	10.9
128.05359	1.3
133.02838	1.3
135.04401	1.3
136.03961	6.0
137.02296	1.3
145.06062	0.7
147.02872	1.7
155.14278	2.2
160.07567	1.7
162.05521	1.2
162.98312	0.7
163.11218	1.5
167.01105	0.9
183.13829	0.9
185.02087	2.2
189.05579	0.7
191.01868	2.9
201.14891	59.9
202.15245	2.2
203.08195	1.2
205.13319	1.4
221.09248	1.4
222.08862	0.9
224.10770	0.8
229.09741	2.8
231.09268	1.2
231.11349	12.2
232.09705	3.1
247.07224	0.9
249.12410	51.7
250.12711	2.7
275.10315	7.7
303.13266	0.7
325.15509	5.7
351.13446	13.5
352.13760	1.6
369.14401	47.0
370.14758	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	367.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	3.5
59.01239	2.7
59.60152	0.4
61.64448	0.4
69.64967	0.7
69.65367	3.2
80.43867	0.4
89.02318	0.6
91.03888	0.5
95.07133	0.5
97.06452	0.6
98.20508	0.5
113.09605	14.9
114.09900	0.8
132.14861	0.5
139.11200	1.6
152.99509	0.7
167.10654	1.9
177.12773	0.7
179.10701	2.3
195.13817	2.1
249.22197	2.1
275.20123	1.0
293.21213	100.0
294.21536	9.4
330.05423	0.9
367.24878	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	54.9
71.01258	47.1
71.48501	4.4
71.48870	6.1
72.99187	8.0
73.02817	7.9
75.13895	4.0
75.16283	3.1
78.95771	8.6
85.02846	13.3
87.00753	13.2
89.02319	51.1
93.03333	7.3
95.01291	5.6
100.24834	3.2
101.02333	35.4
105.38239	4.0
113.02320	29.1
117.03359	49.3
119.03396	24.2
119.04906	41.3
130.04144	5.4
131.03409	12.1
135.04445	22.3
143.04933	5.2
145.02859	93.2
145.06487	4.5
146.06030	100.0
147.04433	18.2
147.06393	4.1
149.04604	4.4
150.05479	6.9
161.04482	13.9
161.05997	15.0
163.03915	9.9
165.05539	5.7
170.06036	21.2
179.05511	6.9
179.06963	5.1
188.03496	16.6
188.07060	13.4
189.01866	62.9
206.04575	7.3
206.08194	23.3
207.02957	36.0
221.06551	9.1
311.56216	3.6
329.87485	3.7
368.09293	5.4
368.13474	45.3
368.25443	12.1
369.08221	85.0
369.12796	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	367.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41306	0.7
59.01249	15.5
60.01615	0.7
61.14258	0.7
70.60153	0.8
70.60486	1.5
93.03273	0.7
94.04113	1.3
95.04913	0.7
97.06497	0.9
101.05948	3.4
107.04917	0.8
111.00744	2.1
113.09607	2.0
123.08017	0.7
135.04414	1.6
136.05177	1.0
155.10661	2.6
156.04155	1.2
163.84665	0.7
177.09285	0.7
178.09927	7.6
192.95763	1.1
202.98750	0.9
207.46111	0.7
219.17482	1.0
221.19043	1.3
229.31618	0.9
237.18634	1.8
247.16925	4.5
253.18022	0.9
253.90961	0.9
263.16541	12.1
265.18066	100.0
266.18442	9.0
281.17563	10.5
292.16943	1.2
293.21201	9.9
294.21375	0.8
305.24719	0.9
331.22708	2.8
349.23798	87.5
350.24231	11.6
367.25012	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	367.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71758	0.7
56.38007	0.6
59.01254	4.9
59.82626	0.9
64.17976	0.7
69.54144	0.8
71.01266	1.0
81.50676	0.6
89.02323	1.2
91.03878	7.1
98.20617	1.3
109.06472	2.7
121.02831	2.6
141.36111	0.7
152.99548	0.9
171.10156	1.2
177.09225	0.8
183.13831	22.4
184.14104	1.2
209.04515	1.0
211.13356	6.8
235.16898	1.3
238.84749	0.7
275.20203	7.9
282.33630	0.7
289.17926	0.9
293.21240	100.0
294.21597	9.2
295.22849	3.4
307.19144	1.6
315.64914	0.7
329.17368	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	367.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94408	0.2
57.42410	0.2
70.09696	1.1
76.11184	0.2
79.95614	0.7
86.68076	0.2
121.92962	0.3
133.06470	0.3
170.00343	0.8
175.00520	0.2
177.60728	0.3
183.01132	15.5
184.02000	1.2
197.02702	32.1
198.03398	3.4
211.04239	1.1
212.05013	0.3
216.00920	0.9
225.05879	0.4
228.94476	0.2
230.02507	2.7
239.07489	0.6
253.08969	0.7
267.10593	1.0
281.12186	0.5
329.40448	0.2
367.23093	100.0
368.23419	11.0
380.71594	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	14.5
60.01567	0.7
65.28159	0.4
67.77416	0.3
69.03316	0.4
69.59853	2.6
71.01247	1.0
80.41119	0.4
89.02319	2.9
91.03886	12.6
111.00750	0.5
111.08031	0.7
113.09635	0.6
114.95415	0.5
149.05969	1.0
179.14288	0.9
181.12329	0.4
195.13843	8.0
196.14426	0.8
199.16982	0.5
205.12341	0.6
223.13339	5.7
228.13609	0.6
256.13123	2.2
265.21707	0.6
275.20078	5.3
293.21225	100.0
294.21527	9.4
294.24725	0.7
367.13803	1.2
367.19510	1.0
367.23718	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13303	0.5
56.01374	0.5
57.24090	0.5
59.01245	5.6
60.35348	0.6
62.49457	0.7
67.32278	0.5
71.01251	1.3
71.34180	0.6
72.97855	0.7
78.95769	0.9
89.02312	2.3
91.03878	10.6
111.08025	1.1
113.09636	0.8
121.10126	1.3
148.37207	0.5
149.05966	2.2
171.10179	5.9
179.14337	1.2
185.11792	0.6
192.95711	0.6
193.12257	0.9
195.13846	6.8
196.14221	0.7
197.49574	0.5
223.13356	5.9
228.13641	0.8
231.21132	0.6
256.13181	1.7
265.21719	1.0
275.20135	12.4
275.22913	1.1
276.20499	1.5
293.21222	100.0
294.21555	7.9
302.79782	0.6
303.21191	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	3.7
58.54834	1.5
59.01252	100.0
59.03029	1.9
71.01264	2.6
71.57621	2.3
76.23129	1.4
78.95786	13.5
82.08410	1.4
83.01238	2.1
89.56036	2.0
93.03320	1.7
96.55928	1.9
96.96883	1.7
121.02822	2.5
136.66296	1.5
143.10690	2.5
152.99507	21.6
171.10144	5.5
207.13805	13.2
293.17532	2.4
307.11920	1.7
337.10764	4.5
367.14148	8.3
367.21646	4.2
368.24417	4.4
376.14935	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	367.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44255	0.5
55.01766	2.9
57.03332	3.9
58.00457	0.9
59.01249	30.0
64.28651	0.6
71.01253	47.0
71.57610	0.7
72.99178	1.7
73.02817	12.3
75.00743	1.2
78.95776	1.8
80.96381	1.0
81.03359	0.5
83.01253	4.7
85.02824	22.5
87.00746	13.7
89.02315	14.6
95.01250	3.3
96.95903	1.0
97.02777	0.8
99.00766	5.6
101.02319	28.5
102.02688	0.8
111.00757	10.0
113.02325	21.0
119.03373	4.1
119.04964	0.6
123.07990	0.7
125.02309	1.3
129.01814	2.8
143.03421	2.3
143.06856	0.6
149.05846	0.6
149.09602	3.0
154.99741	1.0
155.01657	1.3
159.02852	5.2
159.08083	1.0
161.04462	18.9
161.05811	0.9
161.09607	1.4
162.06738	0.8
173.00829	1.8
173.09648	3.0
175.11217	8.9
177.09123	1.3
177.12773	5.6
187.05862	0.6
187.11206	6.6
188.65724	0.6
189.09164	0.7
190.09698	0.7
191.10593	1.3
203.10716	1.6
204.11458	16.3
205.12271	100.0
206.12666	5.3
217.12340	0.7
219.10153	1.2
219.13722	0.9
229.12276	5.3
247.13275	7.3
259.13409	2.3
261.08762	1.3
268.15131	0.6
277.14474	2.6
307.17535	1.5
367.13239	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1656
Annotation	Polyneuridine-N-oxide
Peak:m/z	Relative Intensity
57.03332	1.4
59.01245	4.9
60.61025	1.3
71.04899	5.4
71.35483	2.3
74.02347	2.5
93.03354	1.7
96.95930	1.4
97.06467	2.4
109.32885	1.1
116.03377	1.4
121.10146	2.1
125.09601	2.9
126.69084	1.2
137.09673	4.0
152.99515	1.8
171.10228	11.7
185.11778	3.9
209.11826	1.1
209.43170	1.1
251.16563	8.7
291.19745	13.5
292.20001	2.4
307.19119	1.5
309.20731	21.4
313.17896	3.3
343.58228	1.8
367.16595	100.0
368.16971	8.1
368.20721	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	367.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	1.4
59.01245	4.9
60.61025	1.3
71.04899	5.4
71.35483	2.3
74.02347	2.5
93.03354	1.7
96.95930	1.4
97.06467	2.4
109.32885	1.1
116.03377	1.4
121.10146	2.1
125.09601	2.9
126.69084	1.2
137.09673	4.0
152.99515	1.8
171.10228	11.7
185.11778	3.9
209.11826	1.1
209.43170	1.1
251.16563	8.7
291.19745	13.5
292.20001	2.4
307.19119	1.5
309.20731	21.4
313.17896	3.3
343.58228	1.8
367.16595	100.0
368.16971	8.1
368.20721	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	367.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	5.3
57.03322	5.0
58.00462	3.5
59.01252	61.4
60.16170	1.6
69.20434	1.9
71.01254	70.4
71.38927	3.6
72.99177	4.9
73.02823	20.4
76.40585	1.8
83.01253	14.3
85.02822	31.7
87.00744	3.7
89.02321	35.4
95.01275	3.7
97.02795	2.5
99.00751	10.3
101.02331	67.4
111.00757	13.4
113.02339	23.1
119.89614	1.8
125.02370	4.0
128.87267	2.0
131.03403	27.0
143.03391	3.4
149.04492	11.4
159.02931	4.1
161.04488	23.7
233.06541	4.2
235.11844	100.0
236.12196	6.3
279.10745	2.6
298.99054	1.7
367.16074	63.8
368.16434	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	367.1652
Annotation	Polyneuridine-N-oxide
Peak:m/z	Relative Intensity
54.49123	1.2
56.08377	1.1
57.03308	1.2
58.86815	1.2
59.01255	7.8
59.91371	1.1
60.50828	1.1
61.98681	1.2
69.03291	1.7
69.53513	1.2
70.55573	4.7
73.79163	1.3
75.00722	5.6
85.02800	2.3
99.92496	1.3
105.03935	1.2
109.06440	1.9
111.00729	5.7
111.08051	8.9
127.07552	1.5
154.99800	1.7
164.04359	1.2
169.12225	4.6
179.10675	1.4
197.02721	8.0
197.11771	44.8
198.12111	2.8
199.13124	1.8
211.13356	5.1
219.09911	3.4
227.12981	1.4
230.02289	1.3
233.11555	8.8
269.07925	5.3
283.13647	5.6
291.19739	6.8
309.20709	25.8
310.21063	2.0
351.05765	2.2
367.08865	3.4
367.16360	100.0
368.16815	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	367.1654
Annotation	Polyneuridine-N-oxide
Peak:m/z	Relative Intensity
51.65544	1.3
55.71086	1.2
59.01247	3.9
69.03320	3.5
70.26807	5.7
71.04868	1.9
79.44326	1.6
84.09601	1.4
93.03331	1.4
96.95892	4.9
97.06471	1.4
109.06487	1.9
129.09189	2.1
141.33072	1.4
150.21295	1.3
177.12834	1.8
184.84355	1.5
193.12172	1.3
194.72472	1.9
195.12117	1.8
195.13788	8.0
205.15900	5.2
207.13858	2.5
207.17506	2.9
217.12065	1.9
221.15445	4.2
221.53232	1.4
223.16995	17.1
224.17549	1.6
233.15422	9.8
235.17024	1.9
249.11273	1.7
249.14989	1.6
251.16512	42.9
252.16757	2.9
255.13661	6.3
263.25797	1.7
273.14737	83.3
274.15125	4.7
279.12003	1.5
291.19662	5.8
293.21228	4.0
301.09073	1.6
309.11124	2.7
309.20728	67.8
310.21085	6.6
323.19958	1.7
331.18933	8.6
367.16589	100.0
368.16809	9.8
368.24689	2.1
368.68918	1.6
392.11020	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14400	2.3
54.76787	2.5
55.01759	3.7
57.03326	3.2
59.01251	64.3
65.72093	2.3
65.74969	2.2
71.01257	73.4
71.55751	2.5
72.99187	7.1
73.02822	23.7
83.01264	18.4
85.02834	28.3
87.00747	3.9
89.02322	35.8
95.01241	4.2
99.00760	10.8
101.02323	65.4
106.08398	2.3
111.00767	8.7
113.02345	20.4
125.02351	3.2
127.05048	2.8
131.03409	27.6
131.59348	2.6
143.03424	6.0
145.06169	3.6
149.04469	9.7
159.02945	3.8
161.04442	17.9
173.00829	2.5
192.63977	2.7
208.55217	2.3
222.38712	2.5
233.06749	4.0
235.11842	100.0
254.33833	2.5
307.25732	3.1
334.79214	2.6
367.11679	4.1
367.16116	65.6
368.16431	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	367.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68531	0.4
59.01247	0.8
71.57371	0.6
78.95780	72.0
86.96904	0.4
93.03364	1.1
96.95907	0.5
96.96849	5.9
116.14765	0.5
135.62149	0.4
143.10681	0.6
148.05228	0.6
150.97931	1.6
152.99495	100.0
153.99846	1.4
171.00620	2.4
171.10149	0.5
183.13829	0.8
195.13895	0.5
199.13483	0.7
213.14967	2.1
265.08719	0.5
278.86212	0.4
367.10971	0.8
367.15314	16.5
368.15634	1.2
368.62100	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1526
Annotation	1,2-dihexanoyl-sn-glycero-3-phosphate
Peak:m/z	Relative Intensity
56.28988	0.5
59.01255	1.1
64.83160	0.5
70.17959	2.6
71.01270	0.7
78.95779	52.4
89.24336	0.5
90.64915	0.5
93.03355	1.0
96.96838	6.5
98.19854	0.6
100.97746	0.5
101.47668	0.5
108.02042	0.7
109.06445	0.5
119.04930	0.8
121.02872	2.2
147.04459	0.9
150.97931	1.7
152.99496	100.0
153.99863	1.3
171.00575	4.0
171.10089	0.8
195.13963	0.7
213.14931	1.0
237.09184	0.7
303.73053	0.6
322.10635	0.5
367.08292	0.6
367.15186	9.0
368.15460	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02837	3.3
59.01263	14.8
67.01752	4.2
68.97292	2.6
69.03329	14.6
69.03662	2.5
70.02856	4.4
71.01244	9.7
71.57935	4.1
72.00783	5.2
72.07101	2.4
72.99185	6.7
73.02839	3.7
74.02347	3.0
78.95785	6.2
79.01743	3.5
79.23646	2.4
81.03342	19.7
82.02859	15.3
82.93297	2.4
83.01258	7.3
84.04419	31.4
85.02818	28.6
87.00734	5.1
93.03339	55.0
94.02866	3.2
95.01250	10.3
97.02815	23.1
98.02359	16.3
98.20246	3.3
99.04419	14.4
101.02326	3.4
107.01275	13.7
108.02043	8.2
108.04383	2.8
109.02834	59.6
109.03971	3.9
110.02374	5.9
111.00762	96.1
112.00327	2.6
112.01059	2.7
112.03927	4.6
113.02316	2.7
116.03409	5.1
118.02863	3.7
121.02838	3.6
121.06500	4.7
122.02351	6.4
123.00792	12.8
124.01535	4.0
124.03947	19.8
125.02332	100.0
127.05050	12.1
128.03419	42.1
128.10712	4.5
129.01837	3.9
134.03671	2.6
135.00786	13.5
136.03922	4.7
137.02350	5.8
140.00961	3.5
141.01811	3.5
141.10236	8.4
143.03378	8.1
145.06133	5.1
148.03932	6.3
149.05954	7.9
150.01906	2.6
150.05473	3.3
151.00298	21.0
152.03404	3.2
154.12315	5.0
154.99765	11.9
161.02324	7.2
162.05457	13.5
164.03430	8.9
165.05519	3.0
167.11827	19.1
168.10210	4.2
169.01382	14.6
169.13374	13.5
171.14906	4.3
173.00807	30.7
174.05444	5.3
176.03406	5.6
176.07040	2.8
177.55069	2.5
185.12964	2.9
190.04976	3.1
192.06558	10.4
195.11305	17.0
197.12891	87.5
198.11266	26.1
198.13051	5.9
199.13284	4.9
206.04463	13.3
211.10809	13.0
213.12357	10.8
215.13924	50.7
218.04456	5.7
223.10760	3.2
229.11841	9.5
231.13452	3.8
241.11919	44.9
262.14417	4.8
263.03271	2.7
278.14340	3.2
279.17099	5.9
281.15009	3.1
291.10251	3.0
305.15076	34.7
310.07950	4.8
323.16034	15.3
333.14877	4.1
335.12381	4.6
349.14041	4.2
367.10239	5.3
367.15002	87.0
368.15341	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	367.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04214	0.8
58.81728	0.6
67.01756	5.3
68.59669	0.7
69.54195	4.7
72.99180	3.6
83.01254	3.5
85.02823	14.3
93.61539	0.6
96.15196	0.6
98.97079	0.7
99.00734	0.9
101.02332	1.3
111.00761	100.0
112.01093	3.0
129.01820	5.2
134.03648	1.4
154.99756	15.8
159.28639	0.6
173.00826	35.4
180.75691	0.7
191.01906	3.0
201.03825	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86924	0.5
52.46903	0.5
59.01249	100.0
60.01577	1.4
63.16137	0.5
66.00845	1.4
68.02407	3.2
70.36622	2.1
71.01280	0.5
75.00748	1.5
75.52532	0.5
77.11543	0.4
80.34229	0.5
82.03970	7.8
83.01121	6.8
95.01140	0.7
96.01908	3.2
106.87983	0.4
109.34571	0.4
111.00727	1.0
126.50802	0.5
126.99458	4.6
140.04553	1.7
142.06119	94.3
143.06454	1.9
164.23970	0.4
179.47945	0.5
197.02769	1.0
198.64246	0.5
199.17024	0.6
215.68948	0.5
219.28233	0.5
223.08949	1.0
226.11946	1.1
239.30721	0.5
262.11902	0.8
275.20062	0.7
284.14136	0.6
304.23590	1.0
330.21350	0.9
331.18814	0.8
348.22546	1.0
365.23267	1.7
366.23651	8.7
367.08990	1.2
367.19525	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.3
60.70421	0.5
68.67841	0.4
70.02829	0.4
71.58250	0.6
84.65372	0.4
102.03339	0.4
104.04933	1.3
105.07017	0.5
106.06524	0.6
120.04452	0.9
132.04453	2.3
146.02315	0.5
146.06006	4.8
148.07588	47.9
149.07938	1.9
162.05521	1.0
180.77560	0.5
187.91809	0.4
216.47232	0.5
233.19185	0.7
293.21338	1.0
305.21219	0.8
335.53806	0.4
366.24371	100.0
367.24722	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	367.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02534	0.3
52.27323	0.2
60.21350	0.2
67.01759	1.7
70.70507	0.4
70.70866	0.9
72.99181	2.8
83.01250	1.6
85.02824	17.3
87.38120	0.3
99.00772	0.6
101.02325	1.7
111.00764	100.0
112.01091	2.4
121.54867	0.3
129.01828	5.0
134.03612	0.4
154.99770	14.6
155.12967	0.3
156.00186	0.5
168.08557	0.3
173.00835	27.3
174.01118	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2695
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
59.01250	16.3
71.57903	0.4
73.50568	0.4
73.61188	0.3
100.56481	0.4
113.02374	0.5
133.06546	0.5
134.60789	0.3
137.06013	0.7
140.04579	0.7
151.07530	0.4
165.09138	1.3
171.68501	0.4
179.10695	1.1
183.00999	0.7
199.13268	0.4
201.02477	1.3
221.15106	0.4
224.65140	0.4
231.17485	0.4
235.17030	0.6
259.20544	0.7
267.07846	0.4
279.19498	0.4
291.19638	1.3
297.15262	1.4
303.26880	1.8
329.24799	1.1
347.25888	100.0
348.26239	10.5
365.26990	36.1
366.27417	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	365.2696
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
59.01241	1.5
67.40306	0.3
67.50712	0.3
71.12267	0.6
71.12605	0.4
85.06464	2.7
123.08131	0.3
165.54457	0.3
197.02635	0.6
199.13327	0.9
219.17384	0.4
251.20139	0.7
261.18561	1.1
279.19638	18.0
280.19901	1.7
347.25900	9.6
348.26288	1.4
363.25412	0.5
365.22015	4.7
365.26926	100.0
366.22449	0.9
366.27261	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	365.2695
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
50.89602	0.6
52.65401	0.6
59.00991	1.3
59.01312	15.6
71.58271	1.3
75.60338	0.7
81.63229	0.6
96.95991	0.6
106.02910	0.6
119.04962	1.0
122.48992	0.7
128.99261	0.9
165.09109	0.8
183.01257	1.0
189.48666	0.6
201.02574	1.1
222.15497	0.6
291.19864	0.8
297.15491	1.2
303.26987	2.0
325.18372	1.0
347.25900	100.0
348.26266	12.0
365.26938	22.6
366.27225	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	365.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61239	0.4
71.35178	0.5
72.21267	0.4
85.06477	2.3
199.13382	2.1
261.18524	0.7
279.19662	17.3
280.20010	1.4
347.25906	6.3
348.26630	0.8
363.25494	0.7
365.26950	100.0
366.27271	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	365.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.48211	27.3
63.02160	29.9
70.64829	100.0
154.72913	28.3
175.03584	26.9
198.17700	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26786	1.2
56.32827	1.3
57.03300	2.2
59.01252	41.7
68.95828	1.1
69.27483	5.5
69.27917	6.8
71.01216	1.7
71.04898	1.6
78.31807	1.1
81.03351	1.1
83.04900	2.3
84.66331	1.1
97.06468	2.3
98.20514	2.2
104.52039	1.1
109.06474	1.8
111.08031	5.5
121.02782	1.1
121.10095	3.6
123.04431	1.2
125.06050	1.2
125.09596	4.3
137.09593	1.6
163.11162	1.7
165.12723	2.9
167.10590	1.6
177.12752	2.0
179.10396	1.2
185.11752	5.8
195.13800	5.2
197.11845	1.4
199.13295	1.3
207.10159	1.9
209.11795	11.0
211.13316	1.7
213.14830	1.8
214.21588	1.3
225.14906	1.5
231.09987	5.2
232.38048	1.2
239.16475	2.5
245.19141	2.3
247.20480	2.5
267.07718	10.5
273.18668	1.4
275.23709	2.5
289.18011	3.5
291.19666	100.0
292.19894	8.5
297.15289	1.6
301.21698	1.7
303.23285	3.3
307.19189	2.0
319.22736	5.1
329.17313	1.7
329.21207	2.6
347.22229	6.0
348.22656	1.5
365.15259	18.9
365.23260	73.6
365.26788	4.3
366.23505	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	365.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76502	0.4
57.03310	1.1
59.01250	3.5
71.04896	1.7
71.56519	0.4
71.57661	0.7
76.80827	0.3
80.67967	0.4
83.04901	0.5
89.60466	0.4
91.03901	0.7
95.04904	1.2
97.06454	1.1
102.20059	0.4
109.06467	0.9
111.08035	8.3
121.06462	0.4
121.10174	0.4
125.09591	0.4
135.11725	0.6
137.09613	1.4
151.11240	0.6
153.12840	0.4
167.10701	1.5
168.11096	0.4
174.71550	0.3
177.12679	2.0
179.10699	1.4
181.28908	0.4
195.13855	6.1
247.20619	2.3
273.18573	2.1
291.19666	100.0
292.20041	8.3
347.25858	0.8
365.23306	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.3
59.01236	2.5
71.01264	0.8
89.02280	0.6
91.03885	1.0
93.06951	1.1
95.79543	0.6
96.95872	1.0
97.06460	1.4
97.69934	0.7
98.19824	2.4
99.73956	0.6
121.10129	10.5
123.08028	0.7
124.98322	0.8
125.09620	6.4
141.12721	1.0
147.08081	1.7
171.10234	0.7
185.11749	10.2
197.11763	2.9
199.69395	0.6
209.11693	1.5
211.13304	1.1
247.20638	1.4
261.37317	0.6
273.18600	1.8
291.19656	100.0
292.20026	8.3
322.52768	0.6
346.13266	0.6
352.24829	0.6
365.19553	1.0
365.23471	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	8.7
69.69493	11.6
71.04899	1.7
85.46523	1.7
93.17825	1.6
111.10610	1.7
118.05817	1.7
121.10104	7.3
140.61349	1.8
147.40898	1.8
171.03960	1.9
171.10181	11.4
195.13895	6.4
223.13388	6.0
224.13928	2.2
235.16939	3.2
256.13104	2.9
275.20132	33.4
276.20370	2.4
293.21234	100.0
294.21533	11.5
309.91528	1.8
318.94943	1.8
338.83688	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	365.233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.0
59.01251	5.1
69.03332	0.8
71.01262	1.2
71.04889	12.7
71.98803	0.9
74.78588	0.8
83.04910	1.4
83.87147	1.1
88.83199	0.8
89.02294	0.8
91.03889	2.4
95.04867	1.4
97.06464	7.4
108.21413	0.9
113.09618	10.6
139.11186	7.5
160.40984	1.0
165.12662	1.7
181.12195	1.2
183.30493	0.9
193.12280	1.2
195.13808	1.2
207.13980	1.3
219.13834	1.5
220.07695	1.0
235.17059	2.4
247.20668	4.3
273.18671	7.7
291.19669	100.0
292.20056	9.8
365.23291	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	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01583	1.1
68.62022	0.2
69.70390	1.5
72.21892	0.2
75.44964	0.2
97.59933	0.2
98.19807	0.2
102.99878	0.2
162.43956	0.2
245.43938	0.2
311.85864	0.2
365.19745	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74070	1.3
57.75778	1.3
59.01254	100.0
70.00188	2.9
70.00595	5.4
70.02852	2.9
71.01253	1.6
78.95785	4.8
85.02836	1.6
96.95895	9.3
114.01872	9.4
152.99521	2.1
177.04201	2.9
190.12332	3.3
193.51912	1.3
208.13371	11.7
209.03152	1.7
211.13310	1.7
231.15996	4.3
232.13408	10.8
250.14468	29.5
251.14812	3.7
252.72673	1.5
257.62546	1.5
269.08179	2.6
288.12302	4.5
293.08347	1.5
306.13535	25.6
324.12473	2.2
365.12613	1.7
365.17081	4.4
366.15659	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01590	1.4
70.89343	1.7
71.01313	0.7
71.50848	0.6
80.96393	0.7
85.02849	1.0
93.03367	0.8
108.93770	0.6
180.77036	0.6
197.11774	0.6
263.15030	0.7
271.23053	0.6
311.63556	0.7
349.60602	0.7
362.04620	0.7
365.10571	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1501
Annotation	Scandine N-oxide
Peak:m/z	Relative Intensity
54.69345	1.6
57.03310	2.4
57.07089	1.8
59.01240	7.3
60.61263	1.8
63.97696	1.7
65.03838	22.4
69.50400	15.0
71.04893	17.5
83.04929	2.2
83.68031	1.9
97.06469	27.0
99.54440	1.8
104.78966	1.9
107.45371	1.7
111.08043	2.2
112.43065	1.7
119.08549	4.3
121.06485	29.4
121.10107	4.7
123.08129	2.1
125.09596	18.4
128.34842	2.0
137.09610	2.1
164.08359	2.7
185.11746	31.7
186.38390	1.7
207.10054	10.7
209.11760	11.4
211.13297	14.3
235.13403	29.3
241.15689	1.9
257.11578	7.4
263.20206	2.2
273.18576	3.2
289.18265	5.0
291.19669	71.3
292.19922	3.9
307.19278	13.6
308.19708	2.1
329.17047	14.4
329.23401	2.0
365.14984	100.0
365.23184	5.4
366.15289	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	365.1716
Annotation	20,21,21-Trifluoro-3-methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol
Peak:m/z	Relative Intensity
52.47511	0.4
53.38078	0.4
58.02838	1.5
58.84042	0.4
59.01254	2.7
70.71154	0.9
70.71507	1.3
72.99171	0.8
74.02350	0.9
75.92851	0.5
82.02853	1.7
82.06499	0.8
84.04423	5.8
85.02821	2.0
91.01778	1.2
93.04890	0.5
95.01253	0.7
98.02348	1.0
106.02892	0.5
108.02045	17.0
109.02842	13.0
111.00739	1.2
116.03435	1.8
121.02833	1.4
122.03613	1.5
123.00780	4.4
123.04411	18.3
123.70303	0.6
124.01581	3.1
128.03423	10.9
128.10692	3.7
134.02361	1.0
134.03633	0.6
135.04414	2.6
141.10263	1.7
148.03967	1.3
151.02664	1.1
151.03835	0.5
154.02525	0.5
162.02005	0.7
164.03441	84.3
165.03781	3.4
166.04993	4.4
167.03438	1.9
167.05312	0.5
167.11836	5.8
168.10202	1.6
169.13379	2.1
171.14929	2.1
176.03377	0.7
177.04240	1.3
178.05020	55.4
179.05286	2.5
192.06566	3.3
195.11287	3.8
197.12895	35.2
198.11325	7.8
198.13220	1.5
204.02965	0.9
206.04558	0.6
215.13962	42.7
216.14207	2.3
218.04521	1.4
234.07808	0.5
241.11903	12.3
242.12221	0.8
247.01860	0.5
248.09190	0.9
263.10373	3.5
277.10773	0.9
304.14362	0.6
305.15073	5.8
306.15823	24.5
307.16098	1.8
321.18164	13.9
322.18481	1.1
347.16092	17.6
348.16403	1.9
365.17139	100.0
366.17493	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	365.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49324	2.2
59.01251	60.1
60.01575	4.9
61.01685	2.5
61.45977	2.3
71.01255	17.3
72.99162	3.4
75.00733	8.3
79.95609	6.0
80.96385	4.3
82.02867	3.0
85.02802	4.2
89.02316	15.5
96.95872	22.3
101.02303	6.2
113.02316	5.4
117.00281	2.8
119.03387	4.5
140.31400	2.7
141.00052	14.3
141.01627	6.1
145.07614	100.0
146.07930	3.7
168.99541	17.2
188.08223	97.4
189.08513	5.0
195.04720	2.7
208.28799	2.7
214.09799	44.8
215.10275	3.4
218.62410	2.3
228.11218	2.6
238.09726	2.5
256.10947	24.7
267.06979	3.6
275.85925	2.6
279.13400	2.6
285.08017	15.4
304.12982	7.8
322.14059	68.9
322.17642	4.5
323.14407	7.2
365.03754	17.5
365.10947	7.7
366.03955	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	365.15
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46367	2.5
53.90878	2.4
57.03323	9.4
59.01254	12.5
70.60390	7.7
70.60752	3.2
71.04895	4.1
83.04905	3.4
87.04357	2.5
95.01238	3.3
99.04385	8.8
106.23777	2.3
120.65017	2.2
123.08031	2.7
153.65268	2.7
184.77962	2.3
195.13715	2.9
201.02519	6.6
214.62230	2.8
221.15393	10.1
245.19093	4.2
249.18742	3.2
279.19629	3.2
283.26459	2.7
289.18097	20.6
291.19659	62.9
292.20032	3.9
301.17786	4.3
307.19119	48.2
308.19421	4.1
311.16248	4.9
314.44388	3.0
325.76761	2.8
329.17346	100.0
330.17590	9.7
332.69098	2.9
340.53604	3.0
347.25983	3.4
365.14865	25.2
365.23199	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	365.0876
Annotation	Psoralenoside
Peak:m/z	Relative Intensity
59.01246	2.9
60.99968	0.4
66.63818	0.4
69.52418	3.0
71.01250	0.9
72.99184	0.9
73.02824	0.7
75.00744	0.9
85.02833	0.6
96.95905	0.7
98.44247	0.4
101.02314	0.7
104.04302	0.4
133.04971	4.2
135.67903	0.4
135.92325	0.4
144.04468	0.7
145.02843	1.4
158.03636	17.2
158.04968	0.9
159.04410	6.3
171.04434	2.3
173.02385	0.7
180.55203	0.4
201.01839	0.8
201.05559	2.7
202.02641	100.0
203.03143	9.2
209.11702	0.5
213.05473	2.9
231.06606	1.7
245.04489	1.2
275.05643	2.4
304.53802	0.4
308.60513	0.4
361.37732	0.4
365.08719	48.0
366.09097	4.9
371.94000	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.4
58.00470	10.0
59.01253	100.0
71.01257	32.9
71.56673	1.6
71.57045	2.6
72.99192	10.9
73.02821	3.0
78.95777	4.8
80.96398	2.6
83.01257	3.5
85.02825	7.3
87.00768	2.5
89.02322	31.9
93.03381	1.8
95.01248	2.5
96.95903	2.4
99.00768	3.9
101.02328	46.8
109.02852	1.9
113.02348	7.5
113.12099	1.2
115.05433	3.1
119.03394	26.7
130.04144	4.3
131.04961	1.7
131.08148	2.1
143.04980	1.4
147.04411	2.7
152.99474	2.0
156.05701	4.7
157.06491	9.9
159.04459	2.8
161.04514	1.9
164.07077	1.6
165.07388	1.6
167.04926	1.9
169.06516	5.2
171.08069	5.6
173.06010	2.6
175.07626	2.1
181.06523	5.0
183.08070	2.9
189.05461	3.0
189.09117	1.3
197.06026	5.5
199.07594	6.1
203.03409	1.9
203.07056	7.7
206.94490	1.3
209.06059	2.1
211.07559	4.0
213.09048	2.0
215.07062	8.2
217.08699	5.0
223.07637	2.5
225.05702	1.5
227.07056	4.3
229.08624	2.5
239.07253	2.2
241.08687	6.2
243.06644	11.3
245.08182	43.2
246.08464	4.1
246.50636	1.5
251.07069	2.4
257.08231	12.7
258.08578	2.0
258.87250	1.4
269.08124	9.0
277.19180	2.2
287.09204	2.3
321.18112	6.9
365.18417	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	363.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54301	0.5
55.58482	0.4
59.01246	3.6
65.04848	0.5
71.01231	0.4
71.06731	0.9
91.03908	0.8
96.95898	0.8
109.06476	1.0
111.08017	0.5
119.05010	0.4
119.08515	0.6
120.05676	0.4
120.89802	0.4
121.02110	0.5
121.02837	3.1
121.06524	0.8
121.10146	0.4
123.08054	15.1
133.06503	0.5
135.04413	0.7
145.06512	0.8
146.07292	0.9
147.07939	0.4
149.09634	3.8
151.11188	1.1
152.99486	0.6
153.09122	0.8
161.03947	0.4
165.09082	0.5
165.12680	0.4
169.14717	0.4
174.81900	0.5
187.05069	0.6
189.12839	0.5
189.16536	0.5
191.14381	1.0
197.11647	0.5
216.15141	0.6
233.15453	3.0
245.19070	9.7
246.19286	0.5
247.16997	1.2
271.17078	2.6
287.16461	0.8
289.18106	100.0
290.18451	8.4
363.13525	1.5
363.17764	0.7
363.21759	3.0
364.11734	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	3.2
69.82620	2.1
71.01254	0.6
72.99165	0.5
76.55103	0.3
78.95787	0.5
83.04889	0.3
85.02813	0.6
85.06464	0.4
89.02322	0.8
91.03878	1.0
93.03333	0.7
95.04929	0.4
95.23677	0.4
96.95898	1.2
97.06480	0.8
98.19833	0.4
104.38464	0.3
106.04055	0.4
107.04919	0.4
108.02048	0.5
109.06477	1.7
116.39886	0.3
119.04918	1.0
119.08529	1.0
120.05696	0.6
121.02857	4.5
121.06515	0.4
123.08054	15.6
124.08408	0.5
131.04918	1.1
132.05602	0.3
135.08092	0.5
145.02826	0.4
145.06505	0.6
146.07234	0.5
147.08157	0.4
148.08855	0.9
149.09630	4.4
151.11162	0.8
153.09109	0.7
163.11243	0.8
165.09140	0.6
170.04735	0.4
191.14340	1.3
197.11777	1.1
203.14351	0.4
216.15181	0.5
217.15839	0.7
233.15440	3.2
243.17690	0.4
245.19102	9.0
245.21584	0.5
246.19455	1.0
247.17056	1.0
261.18594	0.6
271.17001	2.8
273.15103	0.4
289.18109	100.0
290.18466	9.8
305.21872	0.4
327.16089	0.4
339.68378	0.4
363.13437	1.2
363.18027	0.7
363.21957	3.4
389.96280	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2179
Annotation	Florxenilide C
Peak:m/z	Relative Intensity
57.03325	10.1
59.01257	3.8
65.03814	1.6
69.03266	1.6
69.26644	10.5
69.27072	9.4
71.01247	1.9
71.04904	2.5
71.82513	1.7
72.75820	1.7
95.04902	3.3
96.95877	2.3
97.06490	1.6
107.04903	5.6
109.06490	15.9
119.08562	28.0
123.08027	3.4
125.09609	4.0
127.61737	1.7
133.06471	6.0
135.04317	2.1
144.05717	4.2
145.02843	1.8
147.04402	15.0
149.05919	2.7
151.07568	17.3
162.06781	30.7
163.07460	2.6
175.11276	3.3
177.09108	4.2
191.14305	2.4
228.76526	1.7
233.15416	3.9
243.17540	3.2
245.19124	10.2
261.18631	8.1
271.17044	28.4
276.17697	2.0
277.21692	3.0
285.14801	2.4
289.18115	100.0
290.18350	12.5
301.21729	6.3
303.19699	5.7
317.21289	5.4
319.22797	97.1
320.23117	10.2
363.14478	2.8
363.21790	55.6
364.22092	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	363.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
59.92559	0.7
60.01578	0.9
71.01256	3.1
71.57285	1.3
74.38889	0.9
85.02814	2.4
89.02322	1.2
91.03883	3.4
93.03342	3.0
94.02853	1.1
96.95906	1.6
97.02871	0.8
101.02323	1.6
105.01826	1.5
113.02325	1.5
139.11205	3.1
152.07083	0.9
201.11243	6.4
209.11734	2.5
211.13399	0.9
229.14400	14.8
230.14774	1.3
363.23169	2.7
373.00885	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16083	0.8
59.01253	100.0
60.01591	1.1
70.52830	2.5
71.01258	2.0
73.02834	1.5
89.02271	1.2
91.03869	1.7
91.67706	1.1
91.68352	0.8
101.02299	1.4
109.29254	0.9
136.69298	0.8
151.76697	0.9
201.11200	1.7
229.14445	11.4
241.78668	0.9
247.83028	0.9
361.92169	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29435	0.3
59.01248	3.4
67.67105	0.3
69.03325	0.3
70.79536	0.6
70.79941	0.8
71.01261	0.5
76.65536	0.4
78.95741	0.6
83.04887	0.4
89.02311	0.4
91.03865	1.0
93.03410	0.3
95.04898	0.8
97.06487	0.3
106.04118	0.7
109.06454	2.0
119.04889	0.6
119.08560	5.4
120.05743	0.4
121.06477	0.8
123.08048	24.3
124.08394	0.8
125.09578	0.6
131.04849	0.4
132.47568	0.3
135.08078	0.7
145.06404	0.4
149.09639	6.0
151.11130	0.6
152.99496	0.7
153.09114	1.3
160.08795	0.5
161.09532	0.3
163.11172	0.5
165.09076	0.7
167.10600	0.5
175.11308	0.5
181.12164	0.6
191.14307	0.7
216.15172	0.5
227.02916	0.4
228.18130	0.3
233.15480	1.6
243.17549	0.7
245.19066	8.6
246.19370	1.1
247.17036	0.7
271.17075	3.2
289.18091	100.0
290.18433	8.9
301.18109	0.5
319.19131	1.5
327.81232	0.4
338.23047	0.4
363.18042	6.8
363.21939	2.9
364.18106	0.8
373.13159	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	10.3
61.98700	2.6
66.00862	1.4
66.58827	1.2
67.66637	1.4
70.72614	1.7
70.72942	2.6
74.92883	1.3
78.95790	2.8
81.12000	1.3
85.02819	3.1
93.03332	40.3
93.03908	2.1
96.95068	1.1
96.95222	1.4
96.95896	16.7
101.39542	1.2
120.08087	5.4
126.99445	9.4
133.06407	2.2
134.03531	2.7
137.02397	1.7
145.60732	1.3
146.03639	32.6
147.04233	1.7
149.05988	1.6
151.07523	1.7
152.07037	5.3
152.08168	2.1
152.99519	3.8
156.14760	1.3
159.04422	23.0
160.05228	8.1
161.06000	5.4
164.08194	6.9
172.05231	11.9
173.05963	6.0
174.03166	1.8
175.03952	1.6
184.05222	2.8
185.05888	1.4
186.06807	1.7
187.03923	40.2
187.07495	3.8
188.04706	31.1
190.06320	1.6
191.07021	3.2
197.06023	4.0
198.06757	1.8
200.08331	2.2
212.08228	1.5
225.16217	2.8
226.12320	23.2
241.12328	3.0
243.13976	2.3
243.17093	3.3
258.11395	6.2
269.11871	12.3
269.15466	7.2
270.12177	2.5
270.15656	1.3
283.13425	3.4
285.14874	7.4
287.12885	13.8
295.13376	37.1
295.16772	1.9
296.13748	3.6
301.14493	4.2
303.15689	1.3
313.14459	100.0
314.14731	8.0
316.13046	4.2
327.21915	2.7
331.15512	70.6
332.15637	7.8
363.14389	4.1
363.18732	5.3
364.15344	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	363.166
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97290	0.4
57.03333	0.4
58.58690	0.4
59.01250	100.0
60.01580	1.1
71.01270	1.3
73.02805	0.6
75.00740	0.6
85.02820	0.5
93.03340	0.9
98.19833	1.2
101.02330	1.0
105.01840	4.4
113.02345	0.9
119.49845	0.4
125.36310	0.4
138.05565	1.0
139.11189	4.3
145.07712	0.4
146.64438	0.5
181.12436	0.4
183.10239	2.0
187.07628	2.1
201.11263	14.1
202.11545	0.6
215.07088	0.5
215.39639	0.4
243.12419	0.6
257.08267	1.3
277.34604	0.5
304.12155	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31945	0.5
59.01250	100.0
69.51734	4.3
71.01245	2.0
72.99218	0.9
75.00744	1.5
83.04903	0.9
85.02799	1.3
89.02321	1.2
96.95898	2.0
101.02356	1.3
111.02595	0.5
112.93626	0.6
120.01154	0.7
126.58478	0.5
128.03404	0.9
133.06866	0.7
135.02948	2.7
136.03943	0.9
136.07619	1.3
138.05568	0.7
153.06717	0.9
197.05687	0.9
209.11780	1.5
210.67810	0.6
229.08275	1.1
232.13441	1.0
363.16702	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68573	1.1
58.90123	0.9
59.01254	100.0
62.81570	0.9
69.93563	5.0
71.01265	2.3
80.44595	1.3
85.02842	1.3
87.00752	2.1
92.10413	1.1
93.03348	1.9
95.44500	1.0
98.19862	2.0
105.01806	2.2
113.02327	1.5
126.33980	1.1
136.03879	1.2
136.07538	1.2
137.09621	1.2
176.99576	1.4
199.09575	2.1
209.11748	8.1
227.12721	3.1
248.27458	1.1
258.27765	1.3
363.19931	1.6
369.40009	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01606	1.3
62.72685	0.7
69.38488	1.6
69.38892	5.5
70.51613	0.6
71.01250	0.9
74.68152	0.6
75.20519	0.6
75.83580	0.8
85.02803	0.9
95.01286	1.8
101.20963	0.7
102.72623	0.7
118.10568	0.6
120.94048	0.7
123.00790	2.9
127.19500	0.7
145.07634	6.0
158.98438	10.1
158.99606	0.7
170.07132	0.7
188.08289	1.1
195.10196	1.7
208.52596	0.7
214.09808	5.0
244.10936	0.8
256.10962	1.7
291.26599	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02849	100.0
59.01242	5.0
69.49603	11.1
69.50011	2.7
70.02854	3.5
70.26283	1.9
72.00793	1.8
78.95770	2.4
82.99129	1.5
86.98621	1.7
87.05512	9.6
90.23779	1.7
96.00790	6.7
98.19852	3.0
109.51503	1.5
217.00204	1.8
274.25467	3.9
300.23050	1.6
305.58090	1.6
317.25842	3.6
318.24432	3.4
361.25049	10.3
362.25638	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	362.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.6
59.01242	3.1
60.84472	0.5
67.69260	0.4
70.02843	5.5
71.03208	0.4
71.04872	0.6
71.18436	1.1
81.02047	0.8
82.02839	0.5
83.04884	0.7
87.00749	0.9
93.03343	0.9
95.04922	0.9
96.04442	0.6
97.02827	3.5
97.06471	1.0
98.02354	19.5
99.00742	1.1
106.04127	0.9
109.06397	0.9
110.03622	1.6
119.04895	5.9
122.26636	0.5
123.04429	0.6
123.08057	0.9
125.09633	4.9
133.02809	0.4
134.03598	1.2
135.04475	0.5
135.08060	0.5
136.05229	0.9
136.07562	1.9
142.02620	2.1
163.11226	6.3
171.10146	2.4
180.13844	5.7
181.12259	8.6
181.13832	0.4
181.99748	0.5
182.12611	0.7
190.08656	1.8
197.11769	1.0
202.50308	0.5
206.11835	1.8
207.10202	25.5
208.10477	1.5
211.13379	0.5
218.08203	2.1
224.12878	5.3
225.11281	18.4
226.11577	1.0
231.10173	1.1
260.51962	0.5
275.09277	2.9
275.63263	0.4
291.81830	0.5
300.19635	1.1
326.17758	0.8
344.18738	4.3
362.19717	100.0
363.15778	0.3
363.20084	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	361.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	23.4
61.36263	1.5
71.56916	2.2
91.74558	1.5
100.66541	1.6
132.03838	1.6
211.82571	1.6
216.03682	1.7
279.23270	100.0
280.23611	8.5
361.23630	17.2
362.23965	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	361.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91062	3.4
58.02850	100.0
59.01248	10.3
70.02831	16.1
70.87463	7.5
71.01257	3.7
71.86726	3.4
72.00777	17.1
75.36640	2.9
78.95759	3.6
81.02061	3.5
86.02335	5.0
87.05497	9.7
96.00795	51.7
114.01846	5.2
121.01592	3.0
174.99156	4.0
202.98767	3.1
217.00287	7.8
217.80643	3.6
228.38712	3.6
240.84177	3.1
243.95343	4.2
277.04001	4.3
296.42047	3.3
300.23502	19.6
317.25851	5.5
318.24533	4.1
343.23843	11.1
344.22253	9.9
361.13361	21.3
361.20996	3.2
361.24905	88.0
362.13223	5.0
362.25229	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	361.2024
Annotation	Juruenolide D
Peak:m/z	Relative Intensity
59.01244	1.9
67.63345	1.0
69.03321	2.1
70.32793	3.8
93.03310	1.3
99.04413	3.2
107.04923	4.4
107.08490	1.0
109.06476	4.7
112.28490	1.1
119.34119	1.3
121.02840	12.6
121.06499	1.9
131.89220	1.0
134.07281	1.2
135.04362	1.3
135.08035	3.7
143.04918	1.6
144.05684	1.8
145.02885	1.2
145.06531	1.9
147.04430	4.6
147.08076	1.9
149.02393	2.7
149.09630	1.1
159.04459	2.0
160.05214	6.1
161.06020	17.3
162.06792	79.5
163.07512	10.6
173.05995	2.2
174.06667	1.2
175.07515	5.4
189.09167	2.6
190.06245	2.6
203.07088	6.0
206.05794	8.3
214.96878	1.1
229.15971	2.1
230.13123	10.6
241.15964	2.8
243.13812	1.9
245.15500	1.1
257.15396	2.8
258.12607	10.3
259.17041	100.0
260.17432	9.0
273.14920	4.2
317.13904	3.5
317.21237	5.1
325.20505	1.2
343.11667	2.0
361.13208	2.5
361.20230	41.7
362.20703	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	361.2232
Annotation	bhos#20
Peak:m/z	Relative Intensity
50.95605	0.7
53.26739	0.6
57.03316	2.6
59.01250	9.8
69.33198	7.7
71.01259	2.3
71.04884	1.2
73.02821	2.9
78.95803	1.5
83.04903	3.0
84.02015	1.0
85.02822	1.9
85.06453	1.1
87.04388	7.6
89.02432	0.8
93.03320	1.4
95.04882	2.2
96.95895	0.7
97.06489	1.1
98.20580	1.5
101.02316	2.2
111.08053	0.7
111.36749	0.7
113.05963	2.4
123.08020	0.9
125.09583	3.0
127.11172	2.7
137.09624	1.7
143.92477	0.7
148.61086	0.7
152.99510	1.5
155.10687	8.8
155.14395	1.2
167.14296	1.0
171.10159	6.4
173.05988	1.2
183.13855	1.7
199.09726	9.2
199.13254	1.8
201.11258	6.0
209.11861	3.5
211.13332	11.0
211.16843	0.7
218.16702	0.9
223.13425	0.8
225.14645	0.6
229.14410	25.7
230.14613	1.7
237.14969	4.0
255.16029	1.2
273.17148	5.0
301.20221	1.4
319.21136	5.6
343.21252	2.2
361.22314	100.0
362.22672	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	361.202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.4
59.01251	5.5
63.55050	0.4
69.27365	1.2
69.27779	3.1
71.01261	0.8
78.95776	1.9
80.02557	0.8
81.03323	1.3
83.04893	2.5
89.02313	1.1
91.03889	1.3
93.03323	0.5
95.04905	4.9
97.06446	0.6
98.20568	0.9
106.04136	1.2
107.04922	1.4
109.06485	5.5
111.08041	0.7
120.05695	0.4
121.06483	2.7
121.10085	1.1
123.07251	0.6
123.08055	4.3
127.07542	0.5
131.04901	0.4
132.05717	0.4
133.10112	1.0
135.08078	1.0
135.11699	0.5
137.09560	0.5
145.06506	0.9
147.08051	1.1
147.11575	0.5
149.09595	2.9
152.99458	0.7
159.08052	0.8
161.09644	1.9
163.03926	0.9
163.11143	0.6
173.09575	0.5
175.11214	1.5
179.10727	0.8
189.12767	6.7
191.10751	0.7
193.12175	0.5
201.12807	0.5
215.14375	0.9
225.11310	0.6
225.14888	1.4
227.14423	0.4
241.15884	1.0
243.17520	22.0
244.17854	1.5
256.76416	0.4
269.15454	3.7
270.22348	0.4
280.45950	0.4
287.16531	100.0
288.16864	8.5
361.13342	0.4
361.20416	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	4.6
69.72543	0.6
69.81177	1.6
69.81586	2.3
71.01259	0.9
78.95775	2.3
81.03342	1.0
83.04915	1.0
91.03887	0.8
95.04905	4.5
97.06461	0.7
106.04082	1.2
107.04916	1.2
109.06496	6.0
113.38468	0.6
121.06498	3.1
121.10094	1.4
123.08052	5.0
130.88245	0.6
133.10152	0.9
135.08067	1.2
145.06480	1.1
147.08029	1.3
147.46193	0.6
149.09599	3.4
159.08089	1.0
161.09608	1.7
163.11226	0.9
171.10127	0.9
175.11223	2.4
177.09171	0.9
189.12794	3.7
191.10660	1.3
213.12708	0.8
215.14299	1.2
227.14322	0.6
241.15901	1.1
243.15187	1.2
243.17526	18.2
244.17831	0.9
269.15417	3.1
277.16269	0.6
287.16531	100.0
288.16876	7.8
331.09723	1.2
343.05960	3.7
343.09689	0.8
359.07892	0.6
361.07101	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	361.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94887	0.6
57.03286	0.7
57.89471	0.7
59.01245	2.4
68.02401	2.9
73.04321	0.6
75.37734	0.6
78.95776	1.6
83.04886	1.5
93.03329	3.9
97.86945	0.7
99.05003	0.6
106.04116	2.0
108.02048	1.0
109.06462	0.8
123.89256	0.7
126.99430	2.1
130.04167	1.1
130.66396	0.6
131.04942	0.9
133.02821	0.7
151.07594	1.3
152.08191	9.4
156.05673	0.9
158.03630	7.4
158.07205	0.9
159.04395	2.3
160.05191	10.2
161.13200	0.8
167.75365	0.6
171.04483	3.5
171.08066	2.0
172.05208	11.7
173.05785	0.8
174.06754	0.8
182.07230	0.8
184.05226	6.0
185.05945	2.6
186.03232	0.8
186.06761	1.7
198.06683	0.9
199.07545	1.0
205.12277	5.0
212.08379	0.7
217.00195	0.8
223.13310	1.1
226.09752	0.8
240.11484	1.0
241.12279	0.8
243.02742	1.5
254.12952	0.9
255.13916	2.3
255.17429	0.9
257.19025	1.1
267.13910	0.9
267.17535	4.1
277.03763	1.6
282.46503	0.7
283.17014	24.2
284.17392	2.0
285.18634	3.3
293.15390	1.3
301.18149	4.1
311.16501	36.8
312.16858	3.7
316.14694	2.2
329.17548	100.0
330.17947	10.5
345.10065	1.8
361.13303	11.8
361.20123	7.4
361.28519	0.8
362.13281	1.4
379.14478	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	361.192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	3.2
64.90308	0.9
68.02409	1.4
69.03289	0.9
71.22252	0.9
71.57830	1.3
79.88177	0.8
87.00739	1.4
92.04929	7.4
92.23124	0.8
95.83968	0.9
116.04948	40.9
117.05340	1.1
130.06523	4.4
132.08015	1.2
142.06528	47.4
143.06842	3.1
144.08104	6.5
146.09660	2.2
152.08221	0.8
154.05260	2.0
156.06787	2.9
156.08083	4.0
158.09666	36.0
159.09999	1.1
161.13237	3.8
162.12793	3.4
167.06061	1.5
169.07631	3.7
171.10225	1.7
172.11247	7.0
174.12799	100.0
175.13141	5.6
183.09198	1.2
183.33575	0.9
186.05524	5.9
188.14389	12.9
189.14737	0.9
201.11258	4.5
202.98596	1.3
207.37175	0.9
213.11235	1.0
218.11815	1.3
232.13412	12.8
245.10867	1.0
247.12401	2.1
261.13947	4.8
273.13940	2.4
287.15695	2.0
303.05643	0.8
317.20218	92.8
318.20569	10.2
361.19226	18.6
362.19693	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41351	0.5
55.01754	1.9
57.03328	1.7
58.00476	1.1
59.01252	24.2
60.01610	0.6
71.01253	16.8
72.99181	1.3
73.02821	4.2
75.00771	0.5
83.01259	4.1
85.02820	8.9
85.32494	0.5
85.99993	0.7
87.00766	1.8
89.02304	3.9
93.03355	1.6
95.01283	1.4
96.95901	0.7
99.00769	2.1
101.02319	11.6
105.84692	0.5
109.02849	3.0
111.00781	0.9
113.02320	5.3
118.27510	0.5
119.03413	0.9
121.02838	9.6
122.03625	7.1
123.04460	0.8
123.57210	0.5
124.01538	1.2
125.02357	0.5
133.01482	0.8
135.04439	1.2
136.05107	0.6
137.02350	1.8
147.04390	3.3
149.06046	0.6
150.04111	2.1
154.02641	1.4
157.00497	1.0
157.51108	0.4
161.04539	0.8
161.06027	1.4
165.05475	12.3
173.05991	0.6
179.07028	4.1
181.12267	1.4
191.07190	0.6
193.59123	0.6
199.13326	8.1
200.13724	0.8
209.11739	6.1
223.09682	0.9
268.56854	0.5
315.12344	1.3
343.17557	1.9
346.14233	3.9
361.18982	100.0
362.19388	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	361.1658
Annotation	Humirianthol
Peak:m/z	Relative Intensity
55.01751	0.5
57.03320	0.5
58.00460	1.8
59.01037	0.4
59.01262	4.7
70.97741	1.1
71.01247	3.2
71.04900	1.6
72.99180	1.1
73.02823	58.7
73.70557	0.4
74.03153	0.8
75.00739	1.3
78.95782	0.7
83.04887	0.7
84.02090	0.5
85.02812	1.3
87.04430	0.5
101.05994	0.5
157.10132	1.3
169.10165	1.1
201.09006	0.6
211.11192	0.5
213.09154	5.6
213.12772	2.5
214.09578	0.7
215.14368	0.6
225.12842	3.8
227.14565	1.0
231.13907	3.8
239.14409	3.0
241.15952	4.7
243.13863	3.4
243.17548	0.8
253.16029	1.3
255.17599	1.1
257.11935	0.6
269.11868	0.7
273.18710	1.1
281.15543	2.7
285.14987	4.4
287.12827	2.2
299.16550	2.7
317.17657	5.5
325.14618	0.9
343.15561	3.4
361.16580	100.0
362.16873	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	361.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16244	0.4
55.37991	0.5
59.00949	1.2
59.01252	23.3
71.01255	0.6
71.57838	0.6
72.98779	0.6
72.99184	11.1
75.00747	39.9
76.01063	0.8
80.96388	0.8
85.02822	0.8
87.00737	0.5
87.04356	0.8
89.02274	0.5
93.03378	0.6
113.02314	0.6
127.11210	0.8
133.04964	100.0
134.05295	2.1
141.12845	0.5
155.10786	0.5
157.12236	2.5
171.10260	0.8
185.11761	3.2
202.79527	0.5
203.12833	1.6
207.46178	0.5
215.87633	0.5
229.14583	0.7
239.03450	0.7
243.12416	3.3
261.13495	2.7
301.16650	1.8
319.17612	16.2
319.21338	1.0
320.17838	1.4
354.58099	0.6
361.07141	5.6
361.18704	11.8
361.22784	1.2
362.19321	0.8
364.21597	0.7
373.87021	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1297
Annotation	Gibberellin A8-catabolite
Peak:m/z	Relative Intensity
56.03270	1.5
59.01250	6.4
69.43434	5.7
69.43852	9.1
71.01245	1.9
91.99619	1.6
93.03345	4.6
99.04402	25.8
117.06937	2.5
121.02847	94.4
121.06461	2.1
122.03616	6.2
149.02353	24.8
150.03140	13.4
157.06462	2.6
159.04469	4.2
160.05234	3.3
161.05965	8.7
162.06781	18.9
173.05966	3.6
174.06758	7.6
175.07576	30.1
177.09219	1.8
189.05489	3.2
190.06250	22.4
193.90611	1.7
201.05551	3.8
202.06223	2.1
203.07079	50.3
204.07541	3.5
205.08655	9.4
217.00211	2.8
230.13084	100.0
231.13373	8.8
245.15405	14.1
258.12601	77.5
259.12894	6.6
273.14963	45.5
274.12305	2.6
274.15265	2.9
287.16437	3.5
289.14432	11.9
299.12888	3.4
302.11539	11.4
317.13940	29.7
318.14246	2.3
325.20251	4.6
343.11844	18.6
361.12875	29.6
361.22076	5.7
362.13397	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	361.1503
Annotation	Gibboside
Peak:m/z	Relative Intensity
57.03328	0.7
59.01249	10.5
68.82925	0.5
69.03326	0.5
69.49326	4.3
71.01250	4.8
72.99172	0.5
73.02833	0.7
79.95598	0.7
83.04893	1.1
85.02838	1.7
89.02316	4.5
95.01262	0.7
101.02306	2.5
105.54722	0.5
108.26739	0.5
108.52005	0.6
113.02345	4.3
117.49103	0.6
119.03391	2.0
137.09615	11.9
155.10686	73.5
156.11020	4.1
161.04504	0.6
171.10324	0.6
179.10664	1.5
181.08630	1.5
194.34369	0.6
199.09695	100.0
200.10027	5.5
201.11331	0.6
209.11809	0.7
223.09682	6.5
241.10735	2.2
331.52408	0.7
361.22223	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	361.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.4
61.90916	0.2
65.57607	0.1
66.00848	0.3
68.02410	23.8
69.02126	0.2
69.02750	0.2
69.37088	1.5
77.00654	0.1
80.04921	0.2
83.01118	1.6
95.01107	0.3
96.01952	0.2
98.19810	0.3
101.29249	0.2
108.01935	0.4
124.07569	0.6
124.08678	0.3
125.07091	0.1
126.99460	8.4
127.99789	0.2
136.07576	0.6
150.10226	0.3
151.00621	0.3
151.31009	0.2
151.99007	0.7
152.08197	100.0
153.08591	2.9
164.08215	1.7
168.26411	0.1
171.10184	0.2
176.04416	0.2
178.09738	1.8
178.11035	0.2
201.11139	0.3
205.12000	1.9
208.02782	1.1
213.11092	0.2
217.00200	0.2
230.29779	0.2
233.11514	5.5
234.11852	0.3
292.08600	0.6
298.91797	0.2
305.09869	0.1
361.11823	7.6
362.12109	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	1.5
59.01245	17.0
71.57921	1.8
78.76643	1.1
79.95602	1.7
81.05774	1.1
93.03317	2.9
96.95895	3.3
97.02830	1.4
99.08030	31.4
115.07523	24.0
125.09591	1.8
127.07508	1.3
132.04439	1.5
135.04114	3.3
139.11229	1.3
145.08603	100.0
146.08940	3.6
163.11151	3.2
171.10095	1.9
181.12271	9.8
181.47585	1.2
199.09570	2.3
199.13327	24.3
200.13519	2.2
201.02499	3.1
201.11246	8.4
202.48627	1.3
207.10173	15.0
208.10559	1.5
217.00233	12.6
225.11276	48.6
226.11673	2.2
243.12315	27.2
244.12688	1.7
253.14366	2.6
287.19995	2.0
329.19366	3.2
331.23938	1.4
341.19376	3.4
355.56302	1.6
359.15314	2.5
359.20615	23.6
359.27991	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28229	0.5
59.01250	23.5
69.51903	1.9
69.52334	1.7
69.83690	0.5
71.01286	0.5
72.48996	0.4
83.04892	0.8
86.65852	0.4
97.02518	0.4
125.61387	0.4
242.84918	0.5
259.20578	0.8
277.21722	100.0
278.22067	8.4
303.31857	0.5
359.22064	14.7
359.25928	0.7
360.22321	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	360.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44134	0.4
59.01244	0.6
70.02869	0.4
70.34539	1.3
71.01260	3.4
72.00800	0.5
74.13267	0.3
88.03912	26.2
102.41435	0.4
113.03455	1.4
114.01851	3.0
114.03825	0.4
115.00254	8.0
115.01044	0.4
115.02166	0.5
129.94939	0.4
131.04517	4.3
132.02921	100.0
133.03282	2.0
140.54718	0.5
178.56476	0.3
200.12796	0.4
209.11835	0.3
258.46567	0.4
360.16623	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67065	3.2
52.54923	3.3
56.14426	3.3
65.51228	3.3
71.56001	6.8
78.95775	8.8
86.63042	3.9
90.54930	3.2
110.81528	3.5
119.04919	79.6
119.52967	3.3
119.96181	4.2
123.71091	3.5
133.69763	3.7
163.03914	100.0
164.04218	5.1
178.35614	3.2
211.00166	4.1
296.90076	4.0
342.46368	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	361.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
66.00844	0.2
67.01629	0.2
68.02408	18.8
69.02721	0.2
71.06000	0.2
71.06337	0.2
80.04936	0.2
83.01118	1.5
83.04881	0.1
86.45309	0.1
93.03316	0.2
95.01148	0.3
96.01924	0.2
107.01140	0.2
108.01920	0.7
124.07558	0.7
125.07117	0.4
126.99458	10.3
127.99809	0.3
151.00574	0.3
151.99043	0.8
152.08200	100.0
153.08607	3.1
164.08206	4.9
165.09015	1.2
172.05170	0.1
181.01675	0.1
197.11749	0.3
207.02008	0.2
208.02786	1.4
215.10562	0.1
233.11497	0.1
264.08984	0.5
270.99219	0.1
278.64737	0.1
285.14883	0.1
292.08597	4.1
293.08878	0.4
304.10977	0.1
325.20160	0.7
329.13712	0.1
336.93723	0.1
361.11871	4.0
361.16202	0.2
362.12024	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14886	2.3
57.03318	8.7
59.01241	7.5
69.03318	4.2
71.04891	3.9
71.96016	2.5
73.02814	4.5
81.03334	5.9
83.04906	6.5
85.02818	19.7
87.04392	5.4
95.04877	8.9
97.06441	4.8
99.04390	5.8
101.05956	13.7
109.06460	2.9
111.04397	4.5
121.06472	5.2
123.08013	5.2
125.09584	7.8
127.11210	2.8
135.08047	3.2
139.07578	3.2
151.07565	5.1
155.10622	3.1
157.08585	8.2
161.09694	3.5
165.09021	3.3
171.10196	71.9
172.10622	3.7
177.12741	4.3
185.11739	15.8
197.11649	3.4
199.09741	2.8
201.11276	68.1
209.11716	7.6
211.13231	4.2
213.11250	3.5
215.12878	15.8
221.11742	22.3
222.12100	3.5
223.13380	11.5
227.12773	3.6
231.12230	5.0
235.13234	3.3
239.12852	62.9
240.13170	6.2
241.14391	3.0
247.13341	11.1
249.14923	3.7
253.14470	5.0
257.13895	21.0
265.14337	7.4
285.17105	5.5
287.16476	4.3
305.17569	10.9
323.18655	8.2
341.19702	35.6
359.20688	100.0
360.21158	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30620	0.8
57.03310	2.8
59.01254	9.7
65.03838	3.0
67.19017	1.0
69.03321	6.9
69.34232	4.4
69.34666	5.4
71.01247	3.2
71.04876	1.5
72.99184	0.9
73.02814	2.9
73.90319	0.9
81.03336	10.5
83.04897	11.8
84.02023	1.9
85.02847	4.1
85.81535	1.2
87.04396	2.7
91.59998	0.9
93.03340	3.4
95.04914	3.5
97.02854	1.7
97.06480	2.0
99.04394	12.8
109.06489	1.8
110.03666	1.3
111.04399	14.2
113.06026	1.2
120.00806	0.9
121.05235	1.3
122.05990	1.4
125.09609	4.6
127.11163	2.6
132.04431	1.1
139.07509	1.8
141.09061	1.3
146.06036	4.5
148.07588	2.2
150.09148	5.3
151.07588	2.0
155.10646	1.2
157.08519	1.0
163.11200	1.0
171.10187	37.2
172.10500	1.4
179.14421	1.4
185.11716	5.7
195.13956	1.5
197.11760	3.2
201.11264	24.7
202.11588	1.2
207.13898	1.2
209.11775	9.4
211.13342	1.7
213.11255	2.3
215.13078	4.8
223.13350	10.2
227.12865	1.4
229.14412	2.2
235.13329	3.3
239.12903	3.6
241.09798	1.8
241.14468	3.8
243.11382	8.5
247.13406	2.6
249.14874	1.7
253.14517	1.4
257.14038	1.4
259.15448	2.6
265.14423	2.9
267.15991	3.8
271.15005	4.2
285.17081	9.7
287.14139	2.2
297.12253	1.0
301.16367	1.4
305.17670	2.5
315.13562	24.3
315.17087	1.8
316.13815	1.9
341.19675	2.5
359.12567	5.8
359.17096	5.1
359.20758	100.0
360.21103	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	359.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02841	0.5
59.01239	1.1
68.99676	1.2
70.02848	5.4
71.01232	2.4
71.02366	2.0
71.57409	0.6
72.00771	3.3
72.99150	0.6
73.02802	0.5
80.04923	1.4
83.70583	0.5
85.02830	0.8
88.03914	9.5
95.02383	6.2
96.39285	0.5
96.95909	0.5
97.98274	0.4
101.06953	0.5
104.04967	0.5
111.00768	0.8
111.01885	2.0
113.03451	34.4
114.01855	24.4
114.24640	0.5
115.00246	4.1
115.02180	0.8
119.04919	0.5
122.05984	1.3
131.04515	100.0
132.02919	38.6
132.04503	4.7
134.03664	0.8
135.04393	1.0
150.05507	1.2
152.07079	2.5
194.98991	1.3
200.12784	0.4
209.11766	1.6
227.12923	1.2
268.74170	0.6
296.41623	0.7
297.12390	2.7
315.13324	1.3
360.16870	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18513	0.6
57.03327	0.7
59.01252	7.7
68.02395	1.9
69.88243	4.1
89.41621	0.6
91.68389	0.6
97.02872	0.6
97.06467	0.7
109.06503	0.8
115.07530	69.1
116.07890	0.7
119.55536	0.6
125.09610	6.5
127.11169	2.2
132.04437	1.6
145.08664	1.3
150.05562	0.8
152.07022	1.0
155.64603	0.7
163.11208	1.2
171.10139	1.2
172.50604	0.7
174.99127	1.1
175.19559	0.7
181.12280	2.4
187.09685	8.0
197.11900	1.0
199.13324	100.0
200.13608	4.6
201.02466	1.9
201.11284	2.8
205.07118	0.7
207.10176	3.8
217.00218	5.0
225.11273	11.5
243.12340	11.9
251.39938	0.7
315.13153	0.8
359.20831	1.9
359.27847	1.5
360.18475	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	3.3
59.01255	41.0
70.15450	13.5
71.01254	7.9
71.04877	3.2
73.02828	12.9
75.00747	4.1
78.95791	4.1
80.80378	2.4
81.03344	3.2
85.02813	4.2
85.06442	2.7
87.04395	5.6
93.03349	3.3
95.04928	4.5
99.04407	25.6
110.66962	2.5
113.02345	5.5
115.06006	2.6
123.11682	2.6
125.09631	3.5
151.07515	3.2
155.10696	100.0
157.08588	3.6
171.10243	15.8
174.99138	2.8
181.12213	3.4
187.09659	6.5
197.11778	8.0
201.11261	55.9
209.11771	39.2
211.07590	10.6
217.00229	11.5
217.10725	3.4
227.12842	7.5
229.14433	12.1
235.13362	3.5
241.14275	4.5
253.14514	3.5
265.14328	6.1
271.15472	7.7
316.10168	3.0
323.18701	18.5
341.11557	3.5
341.19534	7.7
359.12460	5.8
359.20816	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70862	10.9
54.90626	10.0
59.01254	100.0
68.54439	10.0
71.58224	16.0
78.95815	12.6
83.04861	12.4
126.99442	27.1
174.99191	13.4
175.03526	11.2
201.00124	10.9
201.02505	20.8
217.00261	75.7
229.14365	13.1
239.64595	12.9
266.75705	12.1
359.28107	24.0
366.72717	13.2
371.68692	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	359.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00455	3.7
59.01244	8.9
68.99687	2.3
69.03317	1.3
69.49731	11.8
71.01253	1.9
75.25615	1.4
77.06094	1.2
80.04932	1.6
81.03334	1.3
83.04887	2.9
85.02829	2.9
87.00743	5.9
87.95416	1.3
88.33008	1.4
93.03355	1.7
95.04879	1.5
99.00720	1.6
101.02321	1.4
108.02031	2.2
111.07984	1.7
117.69902	1.4
122.03601	1.6
132.04462	9.6
134.03610	3.2
135.04396	3.8
141.25848	1.3
147.02892	3.0
150.05498	2.2
152.07059	5.1
161.09665	1.5
165.12766	3.8
179.14352	3.8
183.01358	1.6
183.13896	2.9
191.14417	1.5
193.04987	2.4
195.13815	4.3
205.12337	1.8
207.13852	1.4
209.11705	2.1
211.13339	42.8
212.13672	2.1
213.14908	33.8
214.15240	1.5
221.11691	2.1
223.13298	10.3
233.11810	1.9
235.13402	2.8
241.14413	100.0
242.14702	8.1
243.16083	1.9
247.13321	1.8
251.10423	2.7
251.12846	32.9
253.14442	12.5
254.14484	1.6
259.13327	10.3
265.14383	2.3
269.13971	4.7
277.14404	14.5
278.14908	1.6
281.13974	1.8
293.13837	2.8
295.15585	1.5
297.12363	4.7
305.13889	5.7
315.13553	1.9
316.13519	1.9
323.14996	3.0
359.20795	16.8
360.21124	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02393	2.9
59.01245	36.3
60.24512	3.4
69.93764	3.3
71.01263	40.5
71.56609	5.2
71.56998	3.8
72.99162	3.7
75.00774	3.1
85.02830	8.3
87.00771	3.8
89.02321	14.8
90.62364	3.0
91.01742	3.7
93.03341	8.0
95.01260	7.3
101.02338	13.9
105.01825	6.4
107.04923	6.4
108.02042	6.5
109.02856	32.2
113.02355	11.4
113.03444	6.1
114.01901	5.1
117.49229	3.4
119.03473	4.4
119.04878	4.6
121.02873	3.7
123.00837	4.3
123.04397	12.0
125.02320	4.7
131.04533	15.2
135.04433	15.1
137.02364	33.1
138.01859	8.0
139.03941	4.1
150.03102	4.1
151.03944	21.0
161.02357	30.0
161.04448	4.5
164.01068	17.2
179.03430	100.0
180.03789	4.5
359.09836	56.3
359.20303	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	359.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70862	10.9
54.90626	10.0
59.01254	100.0
68.54439	10.0
71.58224	16.0
78.95815	12.6
83.04861	12.4
126.99442	27.1
174.99191	13.4
175.03526	11.2
201.00124	10.9
201.02505	20.8
217.00261	75.7
229.14365	13.1
239.64595	12.9
266.75705	12.1
359.28107	24.0
366.72717	13.2
371.68692	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	358.2024
Annotation	Comosivine
Peak:m/z	Relative Intensity
59.01239	0.7
70.12055	1.6
76.47037	0.3
76.94583	0.4
79.58926	0.3
84.36092	0.3
88.04028	0.3
93.03340	13.2
94.03628	0.4
94.50500	0.4
99.08043	0.8
106.04129	0.7
107.04941	0.6
118.71828	0.3
119.04888	1.7
121.02826	0.4
125.18634	0.4
127.07527	1.2
135.04204	2.0
145.08582	1.7
164.14389	0.4
170.06082	0.6
174.12935	0.4
176.14430	0.6
184.07564	0.6
196.07635	1.1
198.09290	0.6
199.09961	1.2
202.12328	0.8
208.13460	1.7
216.13861	0.5
217.00188	0.7
220.13327	1.4
221.13914	0.4
222.14932	1.6
234.14964	0.8
252.16142	0.5
264.16034	1.3
268.17221	0.5
270.18646	1.2
284.20193	1.2
296.20172	1.2
310.18130	6.8
311.18484	0.5
322.18109	5.9
323.18509	0.8
328.19174	11.6
329.19473	1.1
338.17487	0.7
340.19171	13.8
341.19446	1.5
358.20239	100.0
359.16299	0.7
359.20615	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	357.2648
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
52.70053	0.4
58.00469	1.8
59.01246	4.1
70.15826	2.0
72.99164	0.6
78.95751	0.4
93.03345	0.4
97.06519	0.8
99.08041	7.5
113.09608	0.8
121.02838	3.3
123.04400	0.4
125.15519	0.4
127.07535	1.0
129.08211	0.7
129.09117	6.2
142.42856	0.4
183.17587	0.6
185.11862	0.6
192.95810	0.5
197.15399	5.6
199.13361	0.6
209.15422	4.1
211.17061	1.3
221.15440	2.6
225.14915	2.2
227.16495	18.9
227.18748	0.9
228.16786	0.9
229.10800	0.6
237.15051	0.5
239.16512	11.5
240.16869	0.5
255.15999	1.3
321.24310	1.9
339.25302	2.5
357.26459	100.0
358.26770	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	358.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98544	4.7
61.98707	100.0
62.69808	4.4
69.74088	30.1
70.31987	4.4
73.74390	4.4
74.37080	4.3
78.92437	4.2
78.95757	4.6
101.17889	5.0
109.99911	4.7
132.25600	4.6
153.58257	4.6
158.98390	4.3
178.08147	5.1
184.96596	4.4
202.88153	4.7
257.07935	6.1
259.82269	4.7
317.19656	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	358.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78650	0.9
59.55834	0.9
61.98703	100.0
62.03229	1.0
76.11937	1.1
93.38583	0.9
112.52757	1.2
116.87914	0.9
124.56878	1.0
133.04970	1.5
145.41924	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2645
Annotation	16,17,18,20-Tetrahydroxy-10,11,14,15-tetrahydronerylgeraniol
Peak:m/z	Relative Intensity
57.03317	1.5
59.01241	2.3
69.87531	3.6
81.03345	0.7
83.04899	3.2
99.08031	8.9
108.33511	0.8
121.02848	5.2
127.11132	1.6
128.32727	0.8
130.32869	0.7
139.07542	2.1
139.11197	4.6
155.10722	0.8
155.14311	1.1
166.41910	0.8
195.17509	1.2
199.13322	10.6
211.17033	5.5
221.15398	3.1
232.22643	0.7
237.15024	1.6
239.16499	28.9
240.16801	1.9
257.17557	18.0
281.31378	0.8
283.19586	0.8
339.25491	1.1
357.06461	1.5
357.26450	100.0
358.22891	1.1
358.26779	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	357.2283
Annotation	oscr#21
Peak:m/z	Relative Intensity
57.03329	4.5
59.01240	4.0
68.39633	1.8
69.03316	7.5
70.14070	4.2
70.14459	4.6
71.04898	11.1
74.44808	2.1
81.03336	2.5
83.04901	7.5
85.02830	4.7
87.04384	18.2
95.04891	13.7
97.02844	3.4
97.06480	17.4
98.19859	1.7
101.21899	2.0
106.04116	3.5
109.02863	2.1
109.06449	5.1
111.04405	7.3
111.08060	3.5
113.05950	2.2
121.06467	3.1
123.04422	1.9
123.08070	2.7
125.09612	29.5
127.11221	1.7
135.08023	8.4
137.09653	3.5
148.93561	1.8
149.06021	3.3
153.09135	4.6
157.77954	1.7
163.11201	8.7
164.08403	2.3
165.08919	1.5
165.12814	4.2
167.10674	4.1
170.09404	7.9
171.10178	54.8
172.10475	2.2
177.12637	2.0
181.12227	3.5
185.11737	5.0
197.11784	1.8
199.13210	2.7
201.11282	7.9
207.10233	4.1
209.11786	3.6
212.76428	1.7
219.13734	10.3
221.15498	2.9
225.11301	2.3
227.12694	2.2
231.13879	3.9
233.15326	2.6
235.13333	3.2
237.11363	2.5
237.14949	7.2
239.12910	5.3
245.19064	2.8
249.14899	14.6
251.16472	18.8
263.16461	4.1
269.17572	24.4
281.17545	12.7
284.16412	3.0
289.18069	9.9
299.18594	6.6
303.19864	2.8
307.19223	5.1
321.20682	15.9
339.21783	21.4
357.22839	100.0
358.23288	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	357.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04929	1.7
55.01755	1.9
56.48262	1.6
57.03319	5.4
59.01260	9.7
61.28675	2.1
65.03829	1.8
69.03327	13.0
69.37370	11.3
69.37797	5.7
71.01272	2.9
71.04893	10.5
73.02824	1.9
76.01579	1.6
79.05421	1.7
81.03329	4.1
83.04897	4.2
85.02823	3.5
87.04393	5.5
93.03353	3.5
95.04909	40.6
97.06469	14.2
98.20616	3.5
99.04425	4.9
99.67275	1.7
106.04138	12.1
109.02835	3.1
109.06467	3.5
111.04397	6.0
112.05133	2.0
116.73676	1.6
119.04946	3.1
121.02838	2.7
121.06506	3.4
123.08068	4.6
125.09634	7.7
127.11152	2.6
133.06512	2.0
135.08072	31.3
137.09662	2.7
151.11180	3.2
152.08308	2.5
153.09114	20.8
161.13193	1.9
163.64577	1.5
167.07045	1.8
167.10660	3.6
170.09395	6.8
171.10187	88.0
171.20323	1.6
172.10562	2.6
174.83575	1.7
175.74507	1.9
177.12813	2.4
180.29172	1.8
182.74684	2.0
185.11823	5.2
193.12256	3.6
195.10135	1.7
195.16585	1.9
197.11758	4.5
201.11261	14.4
205.12297	2.3
205.15974	3.5
209.11699	3.9
211.13240	3.2
221.15439	14.6
225.14845	3.5
225.98186	1.9
227.12805	2.3
231.13788	8.4
239.12872	2.2
239.16544	3.2
249.14915	38.3
250.15361	2.3
251.12796	2.2
251.16400	3.0
267.10272	2.8
269.14191	2.1
269.17584	6.8
281.17606	3.3
289.18091	17.5
290.18564	2.0
299.18597	13.4
307.19156	16.4
308.19394	1.8
315.18253	4.1
321.20807	5.5
325.20181	7.1
339.18167	2.1
339.21753	8.8
357.19165	7.4
357.22879	100.0
358.23102	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	357.2285
Annotation	oscr#21
Peak:m/z	Relative Intensity
57.03319	1.6
57.30198	1.0
59.01245	3.8
71.01254	6.8
71.04883	4.3
72.04018	0.8
73.16872	0.9
80.02546	1.0
83.04895	13.4
85.02826	1.9
101.05962	15.0
109.06483	2.8
121.02836	5.7
123.04408	3.0
123.07956	1.0
127.03896	2.8
145.04958	3.5
211.16954	3.0
223.20636	23.7
224.21022	1.9
241.21751	5.7
251.23796	16.4
252.24045	1.4
253.21906	1.0
267.19635	4.5
269.24869	25.9
269.27771	1.3
270.25180	1.9
295.22791	31.3
296.23151	1.9
313.23804	12.5
314.07343	1.1
325.20236	1.5
339.21860	9.0
339.25696	1.7
357.22794	100.0
357.26523	9.5
358.23126	8.1
358.26758	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.3
57.03312	2.3
59.01246	9.3
69.03336	5.4
69.47010	7.4
71.01253	3.5
71.04897	5.1
72.99176	1.9
73.02800	1.2
79.95602	2.0
81.03347	2.0
83.04907	4.5
84.02055	1.7
85.02830	3.2
87.04393	6.8
93.03329	1.4
95.04893	7.6
96.95889	2.1
97.02807	2.2
97.06471	9.3
99.04388	1.7
106.04076	1.3
109.06485	2.1
111.04410	3.4
117.06979	0.9
121.06490	2.9
123.04393	1.3
123.08050	2.7
125.09609	13.2
128.07938	1.0
135.04430	1.0
135.08073	5.2
135.84879	1.1
137.09608	1.9
149.05928	1.6
153.09145	1.3
163.07608	1.6
163.11192	4.6
164.08376	1.5
165.12801	1.9
167.10616	1.5
170.09413	3.4
171.10191	24.1
183.01147	14.1
184.01883	2.0
185.11775	9.9
197.02713	21.2
197.11783	1.0
198.03339	3.8
201.11230	3.1
205.15981	1.1
207.10201	2.6
209.11679	2.7
211.04266	8.7
211.13341	1.0
213.02187	1.7
216.00920	1.3
219.13832	4.6
221.15533	1.3
230.02499	2.7
233.15352	1.6
235.17036	8.0
237.11169	1.6
237.14948	2.8
238.18068	1.1
239.12831	4.5
249.14893	6.3
251.12758	1.3
251.16513	9.8
253.18111	6.4
263.16437	1.4
269.17517	11.5
281.17636	5.7
282.20813	1.8
286.19815	1.2
289.18124	2.7
297.17099	5.4
299.18628	3.3
303.19781	1.5
307.19095	2.1
311.13187	2.3
315.18134	14.1
321.20685	6.4
339.21707	9.6
357.17438	100.0
357.22800	44.6
358.17752	9.0
358.23071	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	357.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82108	1.3
56.15833	1.3
59.01253	28.9
66.23997	1.6
66.34670	1.3
67.47884	1.3
71.57964	1.7
78.59828	1.5
121.02828	5.9
127.18375	1.9
146.45605	1.4
160.89253	1.8
177.16432	1.9
189.84003	1.6
231.21111	4.1
246.85820	1.9
267.69693	1.5
269.24805	4.3
275.20160	100.0
276.20581	9.0
357.05945	2.0
357.20569	13.0
358.20352	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2282
Annotation	oscr#21
Peak:m/z	Relative Intensity
57.03315	3.0
59.01254	4.9
69.03320	3.2
69.41139	3.4
69.41569	3.9
71.01255	1.8
71.04890	1.2
73.02797	1.2
79.05393	1.0
83.04896	4.3
84.02045	7.2
84.10221	0.7
85.02826	1.4
85.06470	0.9
87.00754	0.9
87.04379	5.0
93.03323	1.0
95.04908	7.1
97.02873	1.1
97.06453	5.5
98.20519	1.6
99.04455	0.9
109.06477	1.4
111.04395	2.1
111.08053	1.3
113.05967	2.1
121.06447	1.6
121.10131	0.8
123.04429	0.9
123.08045	0.8
125.09633	6.0
127.11132	1.1
132.04399	2.2
136.07550	1.6
137.09554	1.3
141.09119	1.2
151.11266	1.5
153.09129	1.2
161.21735	0.8
163.11150	3.9
165.12688	1.2
171.10199	15.4
181.12239	1.4
183.01189	4.4
185.11784	1.4
187.09695	0.8
193.12312	14.0
195.13899	1.1
196.13278	1.0
197.02693	7.2
198.03339	1.3
199.13210	1.1
201.11232	1.3
201.14917	0.8
209.11748	4.7
211.13380	4.3
219.13835	3.6
225.14928	20.9
226.15292	1.0
230.02449	1.1
237.14955	2.3
239.12892	1.3
239.16385	1.0
243.15996	11.1
249.14960	1.9
251.16466	6.6
253.14302	1.3
269.17563	18.2
270.17755	1.3
281.17578	2.2
289.18112	1.3
321.20834	1.8
339.21817	4.1
357.17444	24.5
357.22781	100.0
358.17783	3.6
358.23160	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	357.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03612	1.4
55.97441	1.4
59.01250	100.0
60.80795	1.6
63.12196	1.8
69.65360	1.4
69.76169	7.4
71.01252	2.0
85.02805	2.4
96.95924	2.3
97.79512	1.7
109.02849	4.9
121.02834	15.8
122.03151	1.8
125.09623	2.6
132.04482	4.4
135.04309	1.6
136.07585	3.6
143.60059	1.6
187.09662	2.3
192.95828	1.8
195.13808	1.9
209.11681	2.2
211.13260	2.6
223.13342	10.1
226.90700	5.5
227.90897	7.3
228.90388	19.5
297.09842	1.8
299.02094	2.3
307.10974	1.8
325.11905	13.7
326.12000	2.0
328.89767	1.8
346.77789	1.7
357.06128	5.5
357.14346	22.4
357.18008	2.2
357.26486	2.0
358.14911	2.7
365.42108	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	357.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	5.1
59.01249	100.0
67.61255	3.4
69.03331	5.2
71.58216	4.8
73.02806	4.0
83.04839	3.9
84.02052	3.5
96.57523	3.3
121.02842	40.4
128.40466	3.5
139.11220	4.7
197.11742	3.9
201.11267	9.5
223.13487	8.9
225.05481	4.8
247.10034	3.7
251.20738	4.2
271.17313	9.7
309.07379	4.3
357.06140	11.9
357.11298	5.0
357.18900	8.0
357.22775	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74867	0.8
56.91618	0.8
57.03320	1.4
59.01252	100.0
69.92853	2.5
69.93267	2.8
71.01245	3.1
73.02813	1.6
74.02341	2.1
77.86906	0.9
81.03320	1.3
83.04909	2.9
85.02822	1.7
93.03341	3.5
95.04903	2.3
101.02312	2.7
107.04947	1.4
111.04443	1.2
113.02327	1.7
121.02853	1.4
123.08115	1.1
125.09563	1.0
130.08614	1.7
135.04387	2.6
136.01546	3.4
137.02333	1.8
151.03917	4.3
161.04449	1.1
171.10236	0.9
223.13316	1.1
225.11179	1.2
238.87131	1.0
243.12387	1.1
251.12833	1.1
253.08694	1.3
297.13358	3.7
313.18613	1.6
327.08505	2.3
357.09879	2.7
357.18997	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	357.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94857	0.7
59.01250	100.0
60.01607	1.0
67.66684	0.8
71.01258	5.1
73.02828	2.5
85.02842	2.5
89.02320	1.5
91.47800	0.6
94.78951	0.8
95.04912	0.9
97.06502	1.0
98.20581	1.3
100.64491	0.7
101.02318	3.5
104.76889	0.7
108.02055	1.8
109.02894	1.1
113.02376	2.9
123.08105	0.9
125.09658	1.0
130.08618	1.8
131.08974	1.3
132.04446	12.4
132.43681	0.8
133.04863	1.5
136.07573	5.3
161.04486	3.3
164.07079	3.5
171.10213	1.5
178.69623	0.8
183.01184	2.1
185.11714	0.8
197.02791	3.0
201.11311	1.1
213.11215	0.8
281.12949	4.2
313.15723	2.8
315.18167	1.9
325.12070	1.0
357.17383	10.7
357.22440	5.5
357.26791	1.6
358.17947	1.0
358.23068	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	357.119
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
59.01249	20.1
61.27892	0.7
69.46494	5.3
71.01237	1.1
85.02851	0.9
89.02354	0.8
101.02379	0.9
108.02045	2.2
113.02335	0.6
119.04897	2.5
121.02841	2.8
123.04411	4.2
129.06599	3.1
133.02853	1.0
135.04427	8.7
136.05199	10.9
137.05470	0.7
149.02367	1.5
150.03043	1.1
151.03931	4.5
151.07498	2.9
177.01886	5.9
178.02492	0.8
195.06558	100.0
196.06931	4.1
209.11705	1.2
227.12875	1.0
357.08142	1.0
357.12283	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93734	4.4
59.01251	74.9
69.03326	20.6
70.87274	13.8
71.01257	34.9
71.04909	5.4
73.02811	33.2
79.23126	4.3
81.03336	6.6
83.01255	10.5
83.04907	17.9
84.73415	4.9
85.02840	9.9
87.04406	6.4
88.61807	4.2
89.02328	5.3
95.04907	47.0
97.06473	6.6
101.02336	18.9
105.06981	7.3
109.06544	5.1
111.08095	8.4
112.14607	4.3
112.77398	4.3
113.02348	9.7
121.06535	5.3
125.09634	9.7
127.11155	6.8
135.07977	6.5
136.64221	4.2
137.09666	5.8
138.74678	4.3
151.11194	16.1
152.99706	4.4
153.09143	12.5
163.11215	16.3
165.09122	16.3
167.10706	6.7
171.10184	58.6
185.11864	5.5
187.09677	5.5
193.12260	9.7
193.55304	4.6
195.10213	9.4
197.11749	4.5
201.11275	31.0
219.13931	6.1
221.15471	14.4
223.13304	5.1
225.11328	9.0
231.13803	7.9
239.16548	14.1
249.15002	41.6
251.16467	11.0
253.18039	5.9
265.14383	9.3
269.17584	26.8
283.15549	13.2
289.18091	5.9
299.18634	20.6
339.18018	5.1
357.19031	22.5
357.22833	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	357.0615
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
59.01250	0.5
70.93073	0.8
77.03827	0.4
77.06708	0.4
91.38310	0.4
93.03349	0.4
100.53735	0.4
121.02843	100.0
122.03172	3.8
136.07532	0.8
165.01828	1.3
176.03625	0.4
180.05673	2.0
181.06529	7.3
183.01195	0.5
225.05528	6.8
243.80797	0.5
289.23660	0.4
313.07181	8.4
357.06152	30.6
357.17789	1.9
358.06427	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27721	0.5
58.02850	13.5
59.01249	3.7
69.03342	1.0
69.37607	3.0
69.38028	2.5
70.02847	0.9
71.01254	2.1
73.02827	1.0
74.02352	3.9
76.05970	0.6
78.95783	3.2
81.03336	0.7
82.06491	3.7
83.04913	1.2
84.08070	0.9
85.02834	1.4
86.05955	0.6
87.05514	19.0
93.03353	1.3
95.04941	0.6
97.03952	2.5
97.06476	1.3
99.04388	0.9
101.02264	0.8
111.05541	0.9
111.08105	0.6
112.03963	1.0
112.07602	0.7
114.05534	0.9
114.09153	0.7
121.02840	1.9
122.09640	1.6
123.08023	0.8
128.07018	0.6
129.06604	5.6
129.10254	1.2
130.04135	1.4
130.08633	100.0
131.04924	2.0
131.08965	2.6
135.04431	1.2
137.06071	0.6
138.09236	0.6
140.07124	0.9
145.02864	1.0
147.04485	0.8
148.04857	0.7
149.05992	0.6
152.99498	3.9
153.10204	2.8
155.11815	3.6
157.13377	3.9
159.04396	2.8
166.08653	19.9
167.08969	0.7
171.10226	1.7
182.13013	1.1
182.15463	3.4
183.11317	3.5
191.07074	1.4
199.18112	18.2
200.14113	0.7
200.18465	1.2
201.11285	1.6
202.99797	0.5
203.03447	5.3
209.16531	1.2
221.11824	0.9
225.12462	5.9
225.16008	0.9
236.07921	0.6
243.17035	4.1
249.63860	0.5
251.12784	0.7
252.20827	0.6
256.75110	0.6
270.21863	31.0
271.22198	2.2
303.16113	0.6
312.18253	5.1
312.22693	2.7
314.20938	1.0
356.08719	1.5
356.21887	83.9
357.19049	3.6
357.22888	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	356.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25881	0.4
59.01253	2.4
70.98140	0.7
71.01241	1.5
81.56909	0.4
85.02820	1.8
89.02300	0.4
91.26081	0.4
95.01270	0.5
106.06506	100.0
107.06831	3.2
108.08105	0.5
113.02336	1.2
118.06516	3.0
120.08051	0.5
128.03429	9.5
143.31366	0.4
146.06018	0.9
150.05510	75.4
151.05833	2.4
164.07082	12.0
165.07460	0.4
165.88029	0.4
171.10176	1.3
180.17885	0.4
192.06577	9.7
194.04509	13.5
195.05009	0.5
236.05615	1.3
296.07687	1.9
300.52484	0.4
313.11407	0.5
316.02451	0.7
356.09860	5.3
356.17139	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1868
Annotation	Protostephanine
Peak:m/z	Relative Intensity
57.03310	1.3
57.18356	0.7
59.01255	11.2
59.14762	0.6
59.17385	0.6
67.24863	0.7
69.86047	3.6
93.03340	87.4
94.03650	2.3
95.95449	0.6
97.06459	2.5
106.04137	0.7
113.40553	0.6
117.03309	1.5
117.51523	0.6
119.04910	2.4
121.02880	1.4
123.08024	1.1
125.09616	15.1
138.80450	0.6
143.10695	0.7
153.23639	0.7
157.05214	3.1
162.12769	0.8
169.08606	2.4
170.06013	1.8
182.06018	1.8
183.01126	1.2
183.06851	2.8
184.07487	1.2
187.08047	1.2
187.09680	17.3
188.14345	1.6
195.06822	1.1
196.07629	6.6
197.02711	1.0
197.17230	0.6
198.03001	1.3
198.09183	1.5
199.09903	2.0
200.14395	5.3
204.13837	1.3
206.11699	2.2
208.07654	0.8
209.08484	1.4
210.09033	1.2
212.10551	0.9
218.11815	1.3
222.09146	0.9
222.14909	2.6
224.10721	0.9
232.13373	5.2
234.15146	0.7
236.13060	0.8
244.13400	5.1
250.14467	8.2
262.14450	1.0
267.16644	0.7
282.18591	1.4
294.15201	1.3
294.18625	3.8
308.16696	3.5
310.18115	2.4
320.16553	13.5
321.17026	1.5
324.58817	0.8
326.17612	4.9
327.17984	0.9
328.19153	9.4
329.19550	1.1
338.17618	50.6
339.17868	5.6
356.18716	100.0
357.19009	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	356.0988
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
57.45794	0.6
59.01245	2.9
65.24596	0.5
69.35093	0.6
71.01260	1.6
71.35971	0.5
71.57779	0.8
78.95766	0.9
80.68237	0.6
85.02831	2.1
98.46482	0.6
104.04967	0.6
106.06506	100.0
107.06852	3.8
113.02320	1.9
118.06496	2.9
120.08094	0.8
125.02359	0.6
128.03435	7.7
130.08640	0.7
135.57013	0.6
146.06076	1.2
148.03860	0.6
150.05511	74.0
151.05875	2.5
162.05609	0.6
164.07065	11.7
165.07458	0.6
171.10187	7.5
178.99785	0.7
182.52792	0.6
185.38826	0.5
192.06578	8.6
193.06842	0.6
194.04529	9.9
195.04810	1.0
198.04980	0.5
236.05646	1.2
296.07950	0.9
316.02072	1.1
356.04956	0.6
356.09848	4.3
372.39426	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	6.3
59.01256	14.5
60.06321	2.0
71.01268	7.2
71.15507	3.6
83.04907	15.4
85.02847	5.4
97.75799	2.1
99.04427	4.5
101.05972	14.6
110.73071	2.3
125.02348	25.9
127.03938	5.8
145.05011	3.1
151.20949	2.0
157.76784	2.4
183.01169	7.5
216.98509	2.0
221.19168	10.7
222.44438	2.2
228.49411	2.2
239.20045	2.6
249.22223	2.6
263.17126	2.2
265.18549	2.5
267.23257	22.9
268.23679	2.6
293.21280	33.0
293.24390	2.3
294.21362	3.0
311.22345	14.7
337.20248	14.1
355.21353	100.0
355.24847	5.3
356.21701	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	355.2277
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
56.68745	1.1
59.01254	4.3
66.00079	1.2
71.11262	1.1
85.02841	4.5
87.18526	1.2
107.04934	2.1
109.02833	2.6
118.68875	1.1
122.03617	9.2
127.07574	1.9
130.77260	1.1
132.93636	1.1
135.04393	26.7
136.01488	1.7
147.08052	2.3
149.09570	7.2
151.07562	2.2
152.07152	3.4
154.02701	2.0
161.09637	8.4
163.07590	2.7
163.11191	50.1
164.08313	14.5
164.11531	2.2
165.09123	9.7
166.09508	1.3
177.09119	66.1
178.09897	24.4
179.10686	67.3
180.11108	3.9
183.10252	3.6
185.00752	3.7
187.11247	2.0
190.05104	4.4
191.10677	12.1
193.08626	10.3
198.03178	1.2
199.02361	3.1
229.24182	1.4
241.15755	1.1
259.25562	1.2
279.13919	1.4
280.14777	3.3
282.03522	1.2
298.15726	53.2
299.16122	3.6
307.17099	1.7
309.22345	1.2
313.21469	1.4
337.21704	47.0
338.21954	6.6
340.20392	83.6
341.20645	9.7
341.23819	1.0
355.22784	100.0
356.23138	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	355.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29938	1.4
59.01252	100.0
69.42484	1.1
69.52628	2.1
69.53037	8.0
77.07321	1.2
78.95786	2.5
85.02842	2.3
93.27306	1.3
94.59738	1.1
131.04910	3.5
134.03613	2.3
143.31880	1.1
149.05995	4.7
152.99478	4.6
193.04993	1.6
227.24768	1.3
276.73761	1.3
333.72028	1.2
355.11105	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1579
Annotation	Dipegine
Peak:m/z	Relative Intensity
71.20296	4.4
71.20639	3.0
80.66898	2.2
80.84087	2.3
99.92453	55.8
114.73655	2.5
115.91944	30.3
116.92736	100.0
117.92763	3.5
152.07042	4.8
190.05009	6.2
225.36362	2.6
259.88208	2.5
276.90512	2.7
306.56436	2.7
351.55383	2.9
355.15802	76.9
355.19644	3.3
356.15973	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	355.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46920	2.1
55.01767	2.4
57.03320	5.8
58.02845	3.6
59.01251	83.1
71.01254	22.7
71.49117	5.5
73.02819	6.5
73.45645	2.2
78.95786	2.7
83.01259	9.5
85.02834	17.8
85.99951	2.2
87.00723	3.0
89.02324	4.0
95.01241	3.9
99.00730	3.2
101.02342	15.6
110.97707	2.1
113.02327	8.1
114.05505	11.2
116.25643	2.5
123.02793	2.5
129.06581	13.6
145.36259	2.7
146.67783	2.4
151.07565	71.1
152.99428	3.0
166.71454	2.3
193.08636	2.3
193.74733	2.2
207.10219	3.7
235.09726	2.8
243.16649	2.5
265.10742	2.7
281.92560	2.5
295.11877	100.0
296.12244	8.1
313.12988	57.6
314.13269	3.1
355.18646	10.1
356.18350	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	355.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20328	3.2
55.01782	3.9
56.52008	3.0
57.03305	4.3
57.82820	3.0
59.00955	5.5
59.01252	100.0
65.54040	2.8
71.01254	23.7
71.52475	3.5
71.52821	6.3
72.99194	4.5
73.02834	7.4
78.95776	3.2
83.01255	7.1
83.07902	3.2
84.28647	3.0
85.02839	20.1
87.00783	4.6
95.01272	4.3
97.07588	2.6
101.02335	20.7
113.02341	9.5
114.05511	6.4
126.72210	3.4
129.06561	7.4
151.07553	76.9
152.07922	6.9
152.99493	4.3
163.03835	2.9
165.99686	2.9
197.91231	3.3
225.11116	3.0
235.09792	5.0
270.65833	2.9
295.11871	93.9
296.12146	7.9
313.12921	81.5
314.13333	3.4
355.18683	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	355.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62184	0.6
57.03329	1.0
58.02845	3.9
59.01251	1.0
59.24780	0.7
61.83044	0.6
63.59763	0.6
69.25713	4.8
69.26138	2.3
71.04882	1.0
74.85339	0.5
78.95786	2.2
85.02839	0.7
92.04938	3.9
93.03339	1.6
116.04947	2.6
118.06521	14.9
126.56606	0.7
128.04958	13.2
131.03664	15.1
144.04462	100.0
145.04759	4.3
146.06021	52.1
147.06351	2.1
152.99457	1.7
158.06052	2.2
163.08601	0.7
170.49524	0.7
172.03954	12.7
174.98573	0.6
180.06726	0.6
187.08588	0.7
190.05032	98.0
191.05391	4.1
249.08794	14.1
296.09286	7.3
297.09778	0.6
305.04773	0.6
323.49649	0.6
352.44226	0.7
355.13303	4.4
355.17303	1.2
355.21130	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1035
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
53.57724	0.7
59.01244	1.6
71.01255	1.5
71.05956	1.7
78.95795	3.5
85.02818	1.1
87.00739	0.9
101.02316	1.0
106.04031	0.7
113.09599	1.3
119.27038	0.7
133.02885	1.3
134.03641	54.6
135.03943	1.9
137.02364	7.5
139.03909	2.2
149.02342	1.2
149.05986	14.6
150.03128	1.0
150.06285	0.8
152.99506	1.2
154.00368	0.7
159.10194	15.3
160.01593	1.2
175.03937	3.1
178.02643	29.1
179.03015	1.0
193.04999	100.0
194.05351	4.1
196.03714	0.9
355.10931	0.9
356.14871	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	355.1033
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
53.51064	0.7
55.01740	1.0
57.03317	2.9
59.01251	3.7
63.29283	0.7
64.23683	0.7
70.36779	2.3
71.01251	3.3
75.00752	1.3
83.01263	0.9
85.02822	20.9
107.65971	0.7
111.00749	3.1
121.02831	1.8
129.01811	2.2
134.03629	100.0
135.03999	3.9
137.02319	4.7
139.03874	1.8
147.02982	1.2
149.02377	5.6
149.05969	22.1
150.06377	0.9
164.04710	5.1
172.08965	0.8
173.00887	0.8
178.02614	18.3
179.07065	1.4
191.01839	6.3
193.04990	65.6
193.70851	0.9
194.05344	2.7
199.55383	0.8
209.02977	9.8
236.12334	0.8
243.06488	0.7
299.01324	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	20.2
68.69621	15.5
69.88432	100.0
78.95776	23.2
85.02834	87.9
116.74014	14.6
133.04955	25.8
183.29762	16.3
193.05144	20.6
209.02902	27.7
361.00146	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	355.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38732	0.4
53.77752	0.4
57.03311	0.7
59.01251	0.9
65.03843	0.6
69.58171	1.4
69.58597	2.3
74.02342	1.2
74.02888	0.4
77.58852	0.4
82.02856	5.6
84.04417	14.8
85.02827	4.8
93.03333	100.0
94.03650	2.8
98.02324	2.3
100.00282	0.6
102.03342	0.5
102.05530	0.6
111.03163	1.5
112.03919	1.9
116.03430	1.6
118.02866	4.7
121.02856	0.5
122.05886	0.5
128.03433	10.3
131.03668	0.5
132.04456	0.5
136.03937	8.5
137.02327	1.1
147.02820	0.6
148.07559	3.2
152.07098	0.6
155.32022	0.5
160.07558	1.5
161.07083	1.3
162.05502	1.6
163.69350	0.5
174.09152	1.1
176.03413	0.8
186.97835	0.5
187.08696	3.7
188.07150	0.9
189.10304	3.6
190.04967	0.9
191.01865	1.3
191.11826	12.1
192.12244	1.0
200.07094	1.6
208.07623	0.7
209.02956	2.1
215.08229	2.5
217.09772	55.1
218.08272	3.3
218.09831	3.2
235.10849	57.2
236.11205	3.2
261.08765	7.0
309.12289	0.7
311.14026	5.6
312.14264	0.7
337.11942	13.2
338.12311	1.4
344.30798	0.5
355.12958	44.8
356.13336	6.0
358.81339	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.0
58.00458	0.6
58.70698	0.6
59.01251	10.6
62.31615	0.6
69.54573	3.5
69.54988	1.4
71.01255	5.3
75.34946	0.6
83.65703	0.6
85.02801	7.9
89.02307	3.6
95.01234	0.9
98.20603	1.2
101.02316	2.8
111.00768	3.6
112.01122	0.9
113.02349	1.6
117.03232	0.6
119.03371	1.2
129.01822	0.9
132.02063	15.9
134.03627	10.5
149.06000	2.9
151.03915	4.1
160.01566	72.1
161.01913	2.9
164.04761	0.8
173.00800	1.4
175.03918	100.0
176.04321	4.7
191.01898	2.3
191.07074	1.8
192.99615	1.1
193.04991	16.1
202.02721	1.2
209.02979	2.7
217.05008	5.4
233.48816	0.7
235.06055	3.0
265.07098	0.8
267.51105	0.6
295.08334	2.6
355.10172	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	355.1033
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
50.66193	0.5
52.65414	0.5
53.00217	0.4
57.03308	1.5
58.00462	0.5
59.01252	10.6
66.34262	0.4
70.27296	1.8
71.01247	6.3
72.99198	0.8
82.32939	0.4
83.01242	0.8
85.02825	6.6
89.02307	2.9
101.02325	2.2
111.00742	2.0
113.02321	2.0
117.03315	0.7
119.03387	1.0
132.02061	15.0
133.02350	0.6
134.03636	10.4
149.02324	2.3
149.05989	2.6
154.99750	0.8
160.01564	71.9
161.01920	2.0
163.03899	0.8
164.04686	1.4
174.03098	0.7
175.03920	100.0
176.04314	4.4
178.02617	0.9
179.07082	0.8
191.01939	1.6
191.07085	1.7
192.99663	2.4
193.04982	18.3
194.05339	1.2
209.02898	2.5
217.04977	6.0
220.18365	0.5
223.06071	2.2
227.63676	0.5
235.06039	3.3
265.07220	0.8
295.08267	1.7
314.12952	0.5
355.10318	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27426	0.4
55.01761	2.9
57.03326	15.9
58.03667	0.8
59.01254	7.7
68.51458	0.4
68.99694	0.9
71.01257	7.7
71.09485	1.2
72.99185	2.6
73.02822	1.0
75.00739	2.6
78.95782	8.7
83.01262	2.9
83.22208	0.4
84.02052	2.8
85.02826	100.0
86.03171	1.4
87.00762	2.1
89.02314	2.1
99.00767	1.1
101.02319	0.9
103.00246	1.8
110.98431	5.6
111.00769	4.3
113.02305	2.6
115.00236	0.7
119.04896	3.5
128.03386	1.1
129.01836	6.5
133.01367	1.2
134.03683	0.9
147.02887	6.8
156.03030	0.5
163.03909	1.8
173.00845	0.8
179.05531	0.8
182.57236	0.4
191.01918	18.7
192.02304	0.7
209.02980	26.3
210.03377	0.9
314.05020	0.5
355.09183	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	355.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	5.4
57.03340	5.0
59.01250	42.6
61.98698	13.0
68.99689	4.2
69.03300	5.0
69.33189	13.6
69.33614	21.0
71.01254	66.4
72.99180	36.6
73.02821	18.3
75.00750	32.2
83.01254	11.7
85.02808	32.1
87.00751	100.0
89.02322	26.1
95.01267	9.3
97.02819	10.1
99.00754	42.3
101.02320	40.2
103.00286	17.5
105.01842	14.8
109.02824	4.5
111.00741	10.0
113.02348	36.0
115.00228	15.8
115.03883	4.2
117.01814	50.4
118.47090	3.4
119.03399	4.0
125.02348	12.3
127.00314	3.4
129.01843	21.2
141.01810	15.3
143.03419	8.2
145.01323	12.9
147.02898	14.7
155.03386	4.4
159.02866	17.2
163.02380	4.5
171.03006	5.2
175.02396	27.0
177.03995	29.6
195.05009	3.6
217.03600	4.1
217.86024	3.4
235.04381	8.4
241.35350	3.8
247.04559	4.8
295.06821	4.8
314.37189	3.9
355.08826	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02647	0.8
55.01752	1.6
57.03325	8.9
59.01238	6.2
62.89499	0.8
64.81629	0.7
68.99657	1.2
70.01459	0.8
71.01247	5.7
71.28730	1.7
72.99181	2.5
73.02818	0.8
75.00740	1.0
83.01265	2.8
84.02044	3.0
85.02824	100.0
86.03146	2.3
87.00719	1.2
87.85640	0.7
89.02309	1.5
101.02330	1.6
103.00262	1.9
111.00751	4.7
112.83688	0.7
115.00217	1.5
116.10885	0.7
119.04919	1.9
128.03412	2.7
129.01834	8.7
133.01337	2.8
134.03621	6.8
145.02843	0.8
147.02911	12.5
148.03244	1.1
149.05981	1.8
163.02588	0.7
163.03932	2.3
164.04648	0.8
171.07642	1.0
173.00830	3.4
178.02652	2.3
179.07146	1.1
186.01578	0.9
191.01906	43.3
192.02312	1.4
193.04980	13.3
209.02972	89.5
210.03282	2.4
249.05490	1.8
355.06573	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.7
57.03325	10.1
58.45014	0.8
59.01247	5.8
68.99670	0.7
70.98245	1.5
71.01246	6.5
72.99168	2.7
75.00745	1.2
75.69511	0.7
83.01245	2.3
84.02030	2.3
85.02819	92.1
86.03172	1.6
87.00740	1.3
89.02304	1.0
101.02332	0.9
102.83015	0.9
103.00245	1.0
109.02666	0.7
111.00769	3.7
119.04940	1.5
119.46139	0.7
128.66934	0.8
129.01825	8.7
133.01337	2.3
139.92110	0.8
141.90532	0.7
141.96085	0.8
147.02887	13.3
163.03903	1.5
173.00836	2.4
178.52336	0.7
191.01895	45.7
192.02312	1.6
193.04898	0.9
209.02963	100.0
210.03340	3.0
355.06805	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92032	0.6
55.01740	0.8
57.03313	3.3
59.01240	2.4
66.03379	0.7
69.03330	1.2
71.56767	0.5
71.57091	0.7
72.00779	1.1
72.60654	0.6
74.02345	100.0
78.95787	1.5
81.03324	0.9
82.06478	1.1
83.04900	4.4
84.04438	0.8
85.06478	1.1
86.06009	3.5
93.03288	0.6
95.03613	0.6
95.04915	0.9
96.04432	2.0
96.95888	0.7
98.06002	0.6
99.84365	0.7
100.00288	4.1
108.04495	0.8
110.02292	0.6
110.05992	4.1
111.04396	1.5
112.03948	0.7
112.07567	18.7
118.05006	2.5
121.06464	0.6
122.06031	1.0
123.03165	4.1
123.08063	5.1
124.03921	5.8
125.09618	0.9
126.58207	0.7
128.03433	0.6
130.05019	3.0
130.08661	1.0
135.08009	0.8
137.04733	1.0
138.05518	1.6
138.09123	2.4
142.05006	2.8
142.59209	0.7
151.11212	0.6
152.99495	1.4
154.04979	1.0
155.05753	0.9
156.06566	1.1
162.09097	0.7
164.10701	2.4
166.05035	1.1
173.13289	1.8
196.09718	2.9
206.08307	0.6
208.09801	0.7
226.10805	9.1
230.15442	1.2
263.12930	1.3
292.15533	14.4
293.15759	0.9
310.16602	80.3
311.16876	5.5
354.06024	0.8
354.19211	40.4
355.12488	0.5
355.19321	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	2.7
57.03329	12.2
59.01250	7.8
71.01263	5.6
71.29627	2.6
72.99183	3.0
75.00735	1.8
83.01254	3.3
84.02050	3.1
85.02827	100.0
86.03147	1.8
87.00726	2.0
89.02308	2.3
92.25290	1.1
94.08823	1.0
98.91631	1.0
101.02354	1.4
102.66270	1.0
103.00221	1.4
111.00762	3.7
113.02349	1.5
119.04924	3.1
129.01833	8.0
133.01308	2.6
134.03592	2.3
147.02946	7.4
163.03888	1.9
178.36368	1.4
184.67746	1.1
191.01901	22.3
193.04980	1.7
209.02972	28.6
227.34637	1.3
279.28528	1.3
327.79312	1.3
331.08542	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	355.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86844	7.6
57.03316	13.2
59.01271	6.9
71.01259	11.6
71.36651	14.3
71.68481	6.5
85.02829	100.0
88.90182	6.7
101.16253	6.8
116.94243	6.7
129.01823	8.2
134.03656	28.1
134.25589	6.6
147.02910	8.0
152.59821	7.9
178.02657	7.7
191.01921	26.9
193.05026	29.9
209.02989	71.0
314.28589	6.5
347.35831	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	354.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44750	0.8
59.01253	1.3
59.68464	1.0
60.97037	0.8
68.06807	0.9
69.61856	6.6
74.02319	2.6
78.95790	4.9
85.02831	1.1
93.03333	6.0
93.19026	0.8
96.96815	1.1
97.02844	1.0
98.02419	1.3
107.04868	1.4
108.02037	2.2
109.02869	6.9
115.00320	0.9
119.04934	4.4
121.02850	100.0
122.03193	3.1
127.06606	0.9
131.04936	1.8
132.04474	1.2
134.03613	1.4
135.04433	17.1
136.03944	10.4
137.02318	2.1
143.04901	1.4
145.06470	2.6
147.04387	3.7
149.04745	1.9
149.05878	1.4
150.05489	2.2
152.99530	7.6
157.08603	1.3
159.04359	2.7
160.05128	1.3
161.06013	5.1
173.06013	4.8
175.06169	1.1
178.04987	3.6
185.06116	0.9
189.05496	1.1
191.07033	8.7
203.07086	1.0
209.11784	1.2
236.08383	1.1
237.09157	2.7
249.09229	1.6
252.07899	1.3
253.08702	4.0
254.08832	1.0
267.10205	6.0
280.07352	1.1
280.10495	1.0
281.08203	1.5
291.10425	1.3
297.11328	12.4
298.11649	1.6
306.11536	1.4
311.13055	1.2
312.12436	14.8
313.10770	1.8
324.12390	3.5
325.10715	2.5
327.12347	1.6
337.10715	2.0
354.13425	31.1
354.18164	1.8
354.19510	1.4
355.13541	3.8
355.17633	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	354.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88009	0.4
57.03323	1.2
58.63638	0.4
59.01243	0.5
69.03346	0.7
71.01260	0.5
71.04899	1.0
71.57355	0.6
73.02810	0.5
74.02342	1.7
78.95779	4.6
80.96375	0.4
81.03323	0.7
83.04903	3.0
85.02831	0.9
87.04407	0.6
89.50649	0.4
93.03326	0.5
95.04936	0.5
97.02832	1.4
99.04427	0.6
101.05956	2.9
109.02888	0.6
109.06461	1.2
111.04411	17.1
112.04688	0.7
121.06487	0.9
123.08063	0.7
128.10695	0.5
130.08636	100.0
131.08966	1.8
137.02388	2.2
137.05977	0.5
140.07106	0.9
152.99493	6.9
153.99806	0.6
156.06551	0.8
157.08553	0.9
161.09633	0.9
168.10249	1.2
171.00517	0.7
171.10211	0.4
179.10709	0.9
180.10191	1.3
201.11452	0.5
205.08580	0.6
211.13239	0.6
234.14928	0.5
265.99084	0.4
292.19177	0.8
310.16534	1.3
310.20215	0.7
329.23352	0.5
336.18130	0.9
354.19235	34.3
355.13345	0.9
355.19659	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	354.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
63.80163	9.3
67.82404	10.3
70.92030	37.4
76.72209	9.4
77.38725	9.9
87.55272	9.6
199.27409	10.8
215.91252	10.3
323.18668	13.2
354.06305	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	354.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85707	1.3
59.01250	100.0
70.15665	5.5
80.04984	1.6
111.02927	1.6
140.11180	1.5
183.01151	4.2
197.36885	1.6
224.35875	1.6
316.51047	1.8
355.02652	1.9
355.19440	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	354.135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.5
59.01251	1.1
60.63990	0.5
67.13743	0.5
69.03345	1.2
71.01240	0.6
71.57822	1.1
73.02836	0.6
78.95766	3.3
83.04916	0.7
85.02827	1.5
86.22990	0.5
93.03339	5.8
107.04898	1.2
108.02058	2.6
109.02837	5.9
117.03270	0.6
119.04916	3.3
121.02850	100.0
122.03138	4.0
123.04381	1.2
130.08632	1.2
131.03667	1.6
131.04922	1.5
132.04391	0.8
133.06499	0.9
134.02367	0.8
134.03674	0.8
134.06029	1.6
135.04417	20.6
136.03937	11.7
137.02333	1.7
143.04861	1.4
144.05542	0.7
145.06511	4.5
147.04399	4.1
148.03908	0.6
148.34494	0.6
149.04723	2.2
150.05524	2.6
151.03886	0.9
152.99506	4.0
157.06372	0.6
159.04451	2.8
160.03938	1.0
160.05133	0.8
160.07597	1.0
161.04703	1.0
161.05981	6.9
172.05228	1.1
173.06021	7.6
174.06480	0.7
175.07582	0.9
178.05009	2.0
185.05899	0.6
189.05528	1.1
191.07088	8.8
199.01973	0.7
203.07060	1.1
209.11766	1.4
215.49495	0.6
235.07736	0.6
236.08273	0.8
249.09088	0.7
251.22055	0.6
252.07870	1.2
252.10292	1.7
253.08704	4.2
265.07745	1.0
266.11948	0.9
267.10248	6.6
279.10214	2.6
280.07480	0.8
281.08255	0.7
282.11432	0.7
283.09653	0.9
294.11411	1.1
297.11346	13.8
298.11771	1.0
306.11459	1.0
309.11362	0.8
312.12421	12.1
313.10495	1.2
324.12512	3.7
327.12241	1.9
329.23441	0.7
336.12283	1.0
354.13449	28.6
355.13593	4.1
355.17676	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2329
Annotation	Rhodomollein XVII
Peak:m/z	Relative Intensity
57.18301	1.0
57.81102	1.0
59.01251	21.9
71.57057	1.0
71.57469	1.5
73.02823	1.6
77.57269	1.2
78.71329	1.0
88.25890	1.1
94.04118	1.5
95.04873	1.4
97.06467	1.8
109.06461	2.6
111.00771	6.6
115.07535	3.0
125.06001	1.2
137.05942	1.1
139.11089	2.1
151.07494	1.7
164.08276	1.5
170.05763	3.4
173.00784	1.5
183.01122	8.8
191.05606	1.3
191.14290	1.8
192.11484	8.6
193.15895	1.9
205.15892	3.4
207.17520	2.1
209.15501	2.2
219.13795	2.5
223.16951	3.6
235.13286	9.1
237.14923	90.1
238.15295	6.4
249.14934	74.7
250.15189	5.7
251.16490	31.4
252.16776	2.7
253.14322	8.0
267.15997	96.6
268.16418	8.8
279.19595	1.4
317.21155	3.4
335.22253	100.0
336.22656	12.4
353.17865	16.8
353.23169	11.3
354.18222	2.1
354.23492	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	353.3059
Annotation	22-Oxo-docosanoate
Peak:m/z	Relative Intensity
52.09269	0.8
59.01240	2.9
68.02407	0.9
68.88767	0.8
70.22225	1.1
70.22563	3.5
77.46877	1.0
79.95664	1.1
96.95872	2.6
164.83791	0.9
171.80649	1.0
183.01105	9.3
183.17590	1.1
197.02684	1.5
217.10892	0.8
227.16425	7.9
335.29520	9.8
336.29541	1.2
353.21576	21.6
353.30569	100.0
354.21713	3.2
354.30859	10.1
367.77161	1.1
375.24646	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	7.2
59.01250	100.0
71.01246	15.3
71.57522	3.5
73.02819	5.5
83.01271	4.6
85.02821	27.1
87.00756	5.2
89.02321	4.6
101.02322	8.9
111.00779	5.7
113.02293	7.8
114.05545	3.3
119.03379	2.9
125.09595	6.5
129.01851	3.6
135.23045	2.7
136.48718	2.8
150.05489	19.3
152.88976	3.0
161.04482	4.0
168.77182	2.8
187.09668	9.3
191.01939	3.0
209.03006	6.2
269.10379	3.4
294.09906	6.1
312.10986	7.2
362.56775	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	353.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
61.44313	0.2
79.95630	0.9
99.50983	0.3
119.04891	0.3
120.19894	0.2
133.06485	0.3
139.51685	0.2
159.76192	0.2
163.11201	1.0
170.00316	0.6
177.09157	0.9
180.18422	0.2
183.01132	12.0
184.01859	1.7
190.78198	0.2
197.02707	46.5
198.03455	5.9
199.01329	0.2
199.03651	0.3
211.04250	1.7
216.00966	0.4
225.05927	0.3
230.02507	4.3
239.07458	0.4
244.04118	0.3
253.09070	0.8
259.14008	0.2
261.87604	0.2
267.10550	1.1
281.12210	0.4
353.21533	100.0
354.21860	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	353.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46158	0.2
61.98927	0.2
71.02352	0.4
72.13182	0.2
79.95625	0.6
124.77299	0.2
133.06514	0.3
170.00316	0.7
183.01140	10.7
184.01869	1.5
197.02710	31.9
198.03468	5.9
211.04254	1.5
216.00906	0.5
225.05841	0.3
230.02531	3.3
239.07545	0.3
253.08925	0.3
267.10703	0.4
353.21539	100.0
354.21887	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	353.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09486	1.1
71.97194	1.1
83.18340	1.1
96.95899	4.2
98.20575	2.9
115.56986	1.1
122.93054	1.1
183.01190	2.6
197.02676	2.7
223.20676	3.7
225.22209	45.2
226.22577	4.0
263.59689	1.3
271.22784	100.0
272.23074	9.2
274.92743	1.5
316.72299	1.4
351.77277	1.5
353.21567	8.9
353.30640	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	353.1867
Annotation	Kopsinoline
Peak:m/z	Relative Intensity
59.01238	3.8
63.48607	1.8
67.56200	1.7
67.81277	1.7
70.08456	1.6
71.57726	1.9
71.58149	1.9
101.92223	1.6
113.09631	1.9
134.03622	1.7
151.39546	1.8
152.99521	1.7
191.05544	3.9
195.13846	12.6
271.22836	2.1
275.53702	1.7
277.21588	9.9
295.22772	53.6
296.22952	2.5
317.20691	3.3
353.18616	100.0
354.19003	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	353.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.0
71.57488	1.1
79.95609	11.9
79.96082	0.6
80.96394	1.3
87.44617	0.5
87.74898	0.6
94.97948	1.4
95.95092	2.6
96.95895	82.7
98.95490	1.6
101.14489	0.6
113.32960	0.6
115.02499	0.5
122.97470	5.5
142.77744	0.6
144.37547	0.5
183.01074	0.6
191.05495	1.1
197.02663	2.4
201.46274	0.5
256.05865	0.6
256.54620	0.6
259.06052	0.6
353.20023	100.0
354.20398	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	353.2125
Annotation	Guayulin B
Peak:m/z	Relative Intensity
58.77881	0.9
59.01234	1.5
71.05922	1.7
71.09459	0.7
79.95622	1.6
83.86890	0.7
84.97282	0.8
85.16505	0.9
96.95887	5.4
98.95467	1.8
120.00980	0.8
163.11201	39.4
164.11514	1.4
177.09135	29.2
177.10678	1.7
178.09520	1.0
183.01251	4.0
191.05521	1.8
192.52179	0.9
197.02710	19.5
198.03429	2.3
211.04416	1.1
230.02530	3.6
250.79721	1.0
353.21414	100.0
354.21689	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	353.182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42055	2.1
59.01253	100.0
65.10735	2.1
65.41222	2.2
66.38060	2.3
66.72709	2.2
68.33905	2.0
70.15189	9.9
71.01246	5.3
73.26733	2.3
77.23991	2.4
78.19718	2.0
101.02309	3.9
113.02316	3.3
130.48721	2.4
132.33559	2.2
157.08606	4.1
161.04414	3.5
261.67429	2.8
293.16071	9.7
379.52716	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
59.33167	2.0
64.88162	1.8
69.00834	2.0
71.01263	14.9
71.56649	1.9
73.02819	6.2
74.02345	5.7
77.88429	2.4
78.95775	15.8
81.96230	1.7
83.01262	3.0
85.02817	7.6
89.02305	4.3
96.01923	9.9
99.00735	2.8
101.02335	18.6
108.02070	4.6
113.02319	8.2
113.17742	2.1
129.01793	1.8
131.34912	1.9
135.04436	4.2
136.01520	2.5
139.02510	9.6
140.03291	17.7
141.04089	60.5
152.99510	15.6
153.04082	2.4
153.46500	2.2
161.04474	13.0
199.02023	1.9
217.12268	3.3
235.13524	2.3
246.07596	5.7
247.08286	5.4
261.11340	5.5
279.12335	6.6
293.16043	19.4
310.16559	4.4
353.15985	7.8
354.05893	3.0
354.19226	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	353.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52174	0.3
57.03321	0.5
59.01250	1.2
60.05947	0.4
67.01765	1.4
69.60959	1.0
69.61381	2.0
72.99184	7.7
73.02815	5.5
75.00750	0.5
83.01245	2.1
85.02825	23.0
86.03172	0.5
92.05832	0.4
98.03465	0.5
99.00766	1.7
101.02330	2.0
111.00764	100.0
112.01094	2.6
117.01830	5.6
129.01830	7.9
133.04988	0.5
135.04433	4.4
140.17110	0.4
154.99768	16.2
164.06970	0.4
173.00835	39.8
174.01172	1.1
179.03392	1.8
191.01904	41.5
192.02217	1.4
195.04962	0.7
230.05803	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69894	0.8
59.01239	2.0
60.93731	0.8
67.01745	2.4
71.15772	0.8
71.55919	1.3
72.88080	0.8
72.99181	7.2
73.02813	5.7
83.01251	2.3
85.02819	24.6
86.03107	0.9
99.00730	1.3
101.02340	2.7
107.30257	0.9
111.00764	100.0
112.01105	2.9
117.01811	7.8
122.92509	1.0
125.81174	0.8
129.01845	8.6
135.04390	5.2
154.99754	17.9
165.65735	0.8
168.50449	0.8
173.00835	41.5
174.01183	1.0
179.03395	2.6
191.01901	45.7
192.02142	1.6
215.63307	0.8
275.34698	0.9
295.00815	0.9
300.13565	0.8
354.95279	1.0
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
51.81707	0.6
59.01252	3.2
63.11280	0.6
71.57954	0.9
79.62398	0.7
79.95609	12.6
79.96040	1.3
83.42106	0.8
95.95106	6.0
96.95892	98.3
112.19791	0.7
138.97032	0.9
142.10957	0.8
152.00125	4.6
242.17278	0.7
276.59988	0.8
292.20108	0.8
308.19125	3.9
352.21613	100.0
353.21869	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	353.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.6
67.01753	3.1
67.78250	0.5
70.92638	1.0
72.99181	4.6
73.00874	0.5
73.02831	0.8
83.01259	2.2
85.02822	18.5
99.00780	1.2
101.02322	1.8
111.00759	100.0
112.01080	2.2
117.01828	2.3
129.01843	4.9
135.04428	4.2
154.99770	14.4
173.00835	37.3
174.01196	1.5
179.03416	3.5
191.01910	24.0
202.29813	0.5
353.05450	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17729	0.5
52.38896	0.5
54.03743	0.6
55.45960	0.5
59.01248	0.8
70.00095	2.6
89.11833	0.5
97.51965	0.6
123.70963	0.6
155.14224	0.7
175.89728	0.5
193.15958	3.1
203.46512	0.5
222.62390	0.5
307.30164	0.8
314.06390	0.5
317.67963	0.6
323.62381	0.6
351.29016	100.0
352.29355	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	352.1766
Annotation	Platyphylline N-oxide
Peak:m/z	Relative Intensity
58.02854	2.9
58.08085	0.5
59.01250	0.8
69.56417	3.6
69.56827	1.2
74.02346	0.8
77.22427	0.5
78.95776	6.0
81.03322	3.0
85.02800	0.7
93.03355	0.5
95.04910	2.7
98.20676	0.6
109.06499	0.9
123.04388	1.2
124.21915	0.6
128.10710	9.5
130.08632	100.0
131.08978	2.2
135.08066	1.1
147.26442	0.5
152.99530	3.0
154.08624	1.6
172.09659	2.8
177.09109	2.1
179.07048	0.7
180.45775	0.5
181.08578	1.0
191.10515	0.7
221.08008	0.9
232.42751	0.6
246.18660	1.5
254.13785	0.6
290.17532	2.8
308.18674	13.3
309.18967	1.3
313.22110	0.6
334.16583	3.9
352.17657	36.3
353.17871	3.3
373.01633	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32992	0.4
50.62836	0.4
59.01241	1.8
68.02414	0.4
68.73280	0.3
69.93223	1.6
75.00742	0.7
91.52296	0.4
96.18758	0.4
101.05966	5.3
102.06310	0.5
106.65398	0.3
123.04413	0.9
126.99476	2.1
137.05907	1.0
137.09624	0.8
138.09999	0.4
139.03899	0.5
143.12698	0.4
145.85260	0.4
151.26332	0.4
156.04253	0.4
165.09105	2.2
165.12735	0.7
167.10779	0.5
178.25774	0.4
183.01093	1.5
197.02690	3.3
198.03436	1.1
217.15965	1.2
221.15480	0.5
230.02486	1.0
235.17035	0.4
245.19054	1.4
263.16550	0.7
289.25424	2.4
315.23251	1.1
333.04489	1.5
333.24329	100.0
334.24643	11.4
351.05447	0.8
351.19986	22.2
351.25363	18.0
352.20401	2.5
352.25549	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	351.1707
Annotation	Vindolinine N-oxide
Peak:m/z	Relative Intensity
52.34818	1.7
58.30296	1.9
59.01252	17.8
67.73667	1.9
71.03245	3.6
84.69685	1.9
95.04879	7.6
96.95914	3.5
101.05937	3.8
101.14620	2.0
111.00698	2.2
119.74028	1.9
124.52532	2.1
125.05383	1.8
126.02914	6.3
127.86912	3.5
128.87634	7.1
137.42267	2.3
159.85851	4.7
193.35048	2.1
195.13750	7.6
209.50102	2.1
223.13257	7.1
225.01831	2.1
251.07512	2.3
275.20142	2.7
277.17883	6.9
278.11395	14.1
280.21597	2.1
293.17981	3.9
293.21198	54.1
294.21414	3.5
313.02985	3.1
314.07648	4.6
315.19321	3.3
333.04446	1.9
333.09592	2.1
351.00302	10.3
351.16873	100.0
352.17133	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	351.2178
Annotation	Sterebin C
Peak:m/z	Relative Intensity
57.03304	2.1
59.01250	100.0
60.92101	1.8
65.87324	1.7
67.55807	1.9
69.21212	2.0
71.56938	3.9
71.57311	2.2
94.81052	1.6
97.02821	5.4
97.31750	1.6
111.00753	3.4
126.02978	3.9
142.25618	2.4
159.63951	1.7
165.12802	3.3
171.10179	2.3
237.05821	7.8
238.06738	2.3
247.20580	2.2
251.07413	8.2
265.08954	2.5
273.18585	3.6
279.26163	1.9
291.19650	56.3
292.19943	6.5
309.20691	6.7
351.19955	67.3
352.20557	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	351.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08588	0.5
59.01251	100.0
60.01584	0.6
66.64269	0.6
69.24118	6.4
71.01258	3.4
73.02830	1.1
83.01279	0.9
85.02846	2.1
99.04395	16.4
100.04729	0.7
101.02319	3.6
102.57217	0.6
111.00762	0.7
113.02352	1.9
120.11420	0.5
161.04424	2.5
196.08742	0.5
245.12227	0.7
261.30515	0.5
263.13110	0.6
269.10388	1.9
309.89352	0.7
364.11429	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43673	3.2
59.01252	100.0
68.87207	3.5
71.57415	3.6
78.95786	5.1
96.00780	4.7
132.03154	3.4
170.30656	3.6
174.66527	3.3
203.55991	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01582	1.2
69.68951	1.5
69.69367	4.8
71.01249	1.0
83.01222	0.7
83.57072	0.9
85.02822	1.5
90.37764	0.8
93.38595	0.8
111.00754	2.5
123.00774	0.7
125.09697	1.1
182.67798	0.8
187.09819	0.9
244.56956	0.8
256.92334	0.8
265.74368	0.7
305.26773	0.9
308.84106	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1706
Annotation	Vindolinine N-oxide
Peak:m/z	Relative Intensity
50.37055	2.1
52.58490	2.1
56.45852	2.9
59.01254	22.2
59.01960	2.5
71.57793	3.1
78.55251	2.5
90.28217	2.3
92.65153	2.1
96.95856	4.0
111.00723	3.2
121.10101	6.6
125.51939	2.2
126.02966	8.2
126.99478	2.5
134.96873	2.8
136.27167	2.5
171.10161	12.2
223.13144	2.6
224.81050	2.8
229.04681	3.0
230.72557	2.5
275.20044	22.9
293.21289	14.7
293.24298	3.4
311.16806	3.6
320.20264	2.6
351.16962	100.0
352.17407	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	351.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02842	2.0
59.01233	3.3
71.57055	0.7
71.57499	1.3
72.00746	1.0
74.02349	5.2
80.96394	1.7
82.02862	8.3
82.06510	0.9
82.95963	1.3
84.04422	19.5
85.02810	4.1
86.02336	1.6
91.01776	2.3
93.03333	14.6
98.02373	4.4
108.02031	1.5
109.02837	70.0
110.03173	2.5
111.00754	2.2
116.03416	6.5
125.92833	0.7
127.05011	4.4
128.03436	13.8
128.10713	6.1
130.08638	44.7
133.56947	0.8
134.02385	2.6
135.00775	4.9
136.03938	2.6
137.02284	1.1
141.10226	8.1
152.03424	2.1
153.01842	4.1
154.08615	1.1
154.12251	1.8
161.05984	3.0
165.04306	0.8
167.11815	13.1
168.08983	0.9
168.10229	3.3
169.09740	0.9
169.13382	9.2
171.14969	6.0
172.09697	1.3
176.07135	1.3
185.12907	1.4
195.11327	10.6
197.12891	81.7
198.11287	15.5
198.13206	4.7
199.11731	1.2
213.12361	10.5
215.13957	100.0
216.14336	5.5
222.09148	0.9
231.13548	6.3
232.13893	1.1
241.11899	44.3
242.12160	2.6
265.08286	1.7
278.68735	0.8
289.15701	2.2
290.17734	1.0
307.16711	6.1
308.18750	6.7
308.21710	1.2
333.14532	4.6
334.16663	2.3
351.15607	54.1
352.17883	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1004
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	9.5
57.05694	1.6
59.01253	100.0
60.01579	2.3
69.26447	1.7
69.52901	16.7
70.13527	1.8
72.99183	2.4
75.00745	4.5
78.95731	2.5
96.95909	2.8
98.20525	3.8
99.04393	5.5
100.04655	2.2
101.02325	2.1
116.04908	2.6
125.09625	2.0
133.04953	21.7
152.15878	1.8
158.06000	4.6
159.06404	4.6
161.04442	5.7
174.00340	1.9
187.09682	3.1
189.10199	2.5
234.84149	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77532	1.6
57.52988	1.7
59.01254	18.7
71.01261	9.2
71.56440	1.6
71.56885	2.4
72.99198	2.1
75.98867	1.6
85.02867	1.7
89.02328	6.5
101.02329	4.5
113.02337	2.6
119.03400	2.8
127.07547	100.0
128.07870	2.3
137.91978	1.6
146.02383	2.1
146.08121	4.2
160.03998	1.7
171.06549	95.4
172.06839	3.3
244.77655	1.7
273.08987	1.7
279.12018	4.8
351.12921	50.7
351.16974	3.9
352.13504	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	351.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29900	0.4
57.44255	0.4
58.02852	5.6
59.01241	1.7
61.84764	0.4
64.81817	0.4
67.61185	0.4
69.46169	0.4
69.85673	2.3
70.02853	7.3
72.00780	1.3
72.04415	2.0
74.02345	46.6
84.04414	0.7
93.03333	6.3
94.03670	1.8
98.02354	12.0
99.04397	3.2
111.00764	1.0
116.03439	12.0
116.04945	20.3
117.05325	0.7
125.87241	1.2
126.87995	3.6
130.06497	1.2
142.06554	2.6
146.05995	1.5
157.86258	0.8
159.09171	2.2
176.81673	0.5
177.05499	1.4
201.10236	3.6
203.08199	35.5
204.08492	2.1
207.10339	0.4
222.09200	20.3
223.09520	1.3
244.54813	0.4
245.09279	100.0
246.09622	5.6
256.09738	0.6
257.09995	1.3
286.21152	0.6
315.01013	1.0
335.11414	0.5
350.98593	5.7
351.13968	2.2
351.98853	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36734	2.6
57.03045	5.6
57.03323	100.0
59.01252	36.7
59.49943	2.8
65.98100	3.3
71.57129	3.7
77.22027	2.7
78.95774	4.3
99.04397	77.5
101.02332	23.4
102.21152	2.6
116.04948	8.4
123.04391	2.9
125.02371	5.8
128.04961	6.9
128.52110	3.4
130.06523	5.8
157.05275	6.9
158.06030	76.5
161.04472	91.7
170.06076	4.7
172.03979	4.4
188.07155	18.6
188.09998	3.8
200.07112	8.3
206.08240	3.8
219.68985	2.8
230.08167	7.7
240.10147	4.4
270.11453	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	351.0506
Annotation	Daphnoretin
Peak:m/z	Relative Intensity
52.21197	0.7
55.69985	0.7
55.70308	0.9
59.01253	2.1
68.91319	0.7
78.78403	0.7
78.95768	3.5
96.96841	0.9
98.20658	1.9
126.57567	0.8
146.97507	0.8
152.99557	4.7
165.07005	1.1
165.12843	0.8
179.08557	1.3
205.06516	2.9
206.07310	13.4
207.08055	5.9
209.06024	1.1
218.78789	0.9
233.03893	0.9
233.06096	2.9
234.06804	8.9
234.11832	2.0
235.07607	92.7
236.07925	7.6
237.05434	1.1
263.07202	1.7
279.06622	100.0
280.06937	7.8
307.06125	96.8
308.06482	8.3
351.05084	83.1
352.05438	8.7
368.30161	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02874	0.9
58.78663	0.2
59.01239	0.7
63.97720	0.2
64.58273	0.2
66.00819	0.5
68.02410	3.1
70.35261	0.6
71.01228	0.2
71.02371	2.3
83.01126	0.5
96.01944	0.2
96.95889	0.2
98.03482	0.3
108.51472	0.2
111.00697	0.3
126.02982	100.0
126.99458	7.2
127.00417	0.3
127.02549	0.3
127.03367	1.8
127.54793	0.2
150.66177	0.2
151.35208	0.2
160.05220	0.3
190.32362	0.2
192.95883	0.3
210.08733	1.4
219.53804	0.2
236.02292	0.5
243.80037	0.2
269.12180	0.5
300.16977	0.3
315.32550	0.2
317.17480	0.9
318.17834	1.2
322.45038	0.2
332.22635	0.2
346.09647	0.2
350.09134	1.0
350.23477	0.9
354.90970	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57268	0.3
55.02882	0.7
59.01244	1.0
66.00849	0.6
68.02402	3.1
69.84895	2.0
70.25605	0.3
70.91658	0.3
71.02386	2.5
72.11038	0.3
78.84528	0.3
78.95780	0.5
80.11111	0.3
83.01119	0.5
84.12204	0.3
98.03471	0.6
99.92488	0.6
126.02989	100.0
126.99461	7.0
127.03339	1.6
127.99816	0.5
209.69618	0.3
210.08784	1.3
236.96576	0.4
267.19659	1.5
268.20074	2.3
288.11447	0.3
289.18048	0.5
290.18259	1.0
290.28250	0.3
303.94849	0.4
333.24240	0.4
350.09082	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2385
Annotation	Tetrahydrocorticosterone
Peak:m/z	Relative Intensity
57.03345	1.4
58.00475	2.3
58.25236	1.0
59.01250	7.2
69.55358	4.1
69.55783	4.3
71.01259	15.8
72.99182	2.6
73.02822	8.0
75.00750	100.0
83.80485	1.0
84.02040	1.4
89.02338	3.2
95.31268	1.1
99.54309	1.8
111.96712	1.2
116.12418	1.2
139.07590	1.7
245.79457	1.4
273.22342	2.5
275.23752	1.7
277.21729	16.5
289.21875	3.8
291.23358	4.0
303.23318	5.8
305.21265	11.2
319.22784	24.0
320.23047	2.0
331.22812	17.0
332.23209	1.5
349.23907	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47096	0.4
59.01237	1.0
65.36951	0.4
68.43446	0.3
84.66742	0.4
93.03308	2.8
94.13056	0.4
106.04129	3.5
107.04892	1.2
108.02055	1.0
114.11974	0.4
117.07019	0.5
123.04395	0.7
126.02955	1.6
126.99431	1.6
130.04128	0.6
131.04906	1.4
132.05727	0.7
133.02855	3.3
133.06482	0.5
135.04405	0.4
143.36780	0.4
145.02849	0.5
145.06491	0.8
146.07243	1.8
158.03658	1.0
158.07286	0.6
159.04402	4.4
159.08043	0.6
160.05205	26.5
161.05617	1.3
165.12747	1.3
172.05164	1.3
173.05949	1.1
174.06802	0.5
183.13997	0.3
209.11781	0.5
211.13263	0.5
215.14279	0.5
243.17447	0.5
245.19008	1.4
247.17142	0.5
255.13802	1.1
255.17537	3.6
263.14587	0.5
267.70480	0.4
271.17014	11.4
272.17413	1.3
273.18588	1.2
281.15445	1.1
289.18076	7.0
290.18500	0.7
299.16507	25.0
300.16766	2.4
317.17557	100.0
318.17865	8.3
349.13263	0.6
349.20203	3.0
350.07126	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
71.13556	1.5
78.60539	0.5
93.03323	2.1
106.04121	4.0
106.80750	0.6
108.02078	0.5
110.25169	0.6
131.04916	1.0
133.02864	2.9
145.06512	0.8
146.07274	1.5
159.04401	4.6
160.05203	24.3
161.05525	0.9
165.12744	1.4
172.05223	0.8
173.98663	0.5
174.06819	0.6
245.19168	1.3
255.13846	1.1
255.17529	2.6
271.17001	13.4
272.17337	1.7
273.15363	0.6
273.18497	1.3
289.18082	7.0
299.16522	27.3
300.16852	2.9
317.17557	100.0
318.17880	10.2
339.74832	0.7
349.20169	11.4
350.20502	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	349.1993
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
58.00448	1.0
59.01258	4.6
69.03333	3.4
71.01260	1.0
71.57568	1.5
74.78473	0.8
78.95780	1.2
80.38725	0.7
84.02044	1.1
93.03345	1.4
96.95921	0.9
111.08047	22.1
112.49047	1.0
118.17403	0.9
121.02837	2.2
121.38845	0.8
127.07555	3.2
141.09103	1.0
149.09569	1.1
150.68129	0.9
151.11174	5.7
153.12791	4.2
163.11319	1.1
165.12735	2.6
169.12270	1.9
181.12253	1.7
191.10474	2.8
193.12061	2.2
197.11821	7.3
199.13293	1.1
201.08955	0.9
207.09973	4.7
209.11551	0.8
217.08334	1.5
219.09982	100.0
220.10313	7.3
221.11552	21.7
231.09967	1.8
233.11588	8.8
235.09534	4.4
237.11194	1.3
249.11055	14.0
251.12582	1.9
252.09697	5.8
253.10277	0.9
261.11108	2.4
262.15793	2.1
265.10629	1.5
273.14752	4.5
279.11392	3.0
280.13120	0.9
287.16232	6.4
290.15305	1.7
291.16046	1.0
301.17838	2.5
305.17603	1.3
305.53177	0.9
313.17886	10.9
314.18097	1.1
331.18918	11.3
332.19284	1.6
349.20062	10.1
349.23962	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09397	0.4
57.03345	0.5
59.01249	100.0
60.01587	0.8
70.98251	1.3
71.01256	4.1
73.02818	1.0
79.95601	0.8
80.96391	7.8
85.02840	2.0
89.02356	0.6
93.03367	0.6
95.92357	0.5
96.62204	0.4
96.95916	2.2
97.02866	0.5
99.00782	0.5
101.02326	2.8
113.02318	1.2
118.11823	0.5
119.05051	0.7
121.02905	0.7
122.03642	1.9
145.02859	0.7
147.04463	1.6
153.00085	0.5
161.04510	1.8
161.06007	0.6
162.03180	0.5
162.06796	1.7
175.85536	0.5
187.03987	0.8
206.62498	0.5
217.12334	0.5
224.85475	0.4
229.06232	0.5
231.13965	0.6
246.79837	0.5
259.13394	11.5
259.15900	0.8
260.13812	0.9
263.03186	0.6
277.14441	7.8
287.12820	0.8
289.16705	2.0
295.13678	0.8
313.14719	2.0
331.15689	2.2
338.14859	0.5
349.04410	2.1
349.12292	0.8
349.16537	9.2
349.20551	0.8
350.16891	1.1
352.14728	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1871
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
50.62492	2.5
58.00466	3.2
59.01256	90.9
69.78024	14.2
71.01257	54.1
72.99181	3.5
73.02817	5.2
78.95775	3.0
85.02821	13.9
87.00748	4.3
89.02325	40.6
95.01260	6.4
96.95959	2.6
98.19955	3.9
101.02335	40.0
113.02336	24.2
119.03374	21.5
128.03439	2.3
143.03421	2.7
164.07104	6.4
165.07463	4.4
166.85065	2.6
169.12268	20.9
179.05638	3.0
187.13324	7.2
253.81779	3.2
277.19247	7.2
349.18661	100.0
350.19095	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34094	0.6
57.03304	0.6
58.00454	0.6
59.01249	43.4
60.01583	0.5
71.01252	20.4
71.58445	0.7
72.99171	0.6
73.02770	0.7
79.95646	0.7
80.96378	0.6
85.02805	2.0
87.00739	0.7
87.55357	0.6
89.02322	9.6
93.03356	0.6
97.27106	0.5
101.02313	5.9
113.02337	3.9
114.95080	0.6
119.03417	4.5
122.03625	14.8
123.04371	2.0
123.07989	0.8
126.99425	0.9
135.04427	3.1
137.02301	2.1
138.03091	1.1
145.60562	0.8
146.03638	4.5
147.04408	8.5
148.05095	0.9
149.05928	1.1
150.03111	1.3
159.04391	2.9
160.05215	0.6
161.04478	1.6
161.05974	2.8
162.03152	6.9
162.06767	11.1
163.03749	0.7
169.12242	5.5
172.05183	1.4
173.05969	0.9
174.03058	1.1
175.40727	0.7
176.04680	1.0
179.05551	0.7
187.03923	3.6
187.07576	0.7
188.04706	4.9
188.08432	1.0
203.10738	0.8
211.13260	5.7
231.13928	1.9
233.15437	3.7
244.10863	0.8
259.13382	100.0
260.13693	7.2
269.12204	1.0
269.15381	1.7
275.12833	1.0
277.14435	64.4
278.14795	5.6
283.13385	1.5
285.14893	1.1
287.12894	3.7
293.13745	0.6
295.13351	5.4
301.14435	2.1
305.14035	0.9
313.14456	13.2
314.14938	0.8
316.13177	0.6
319.15518	1.7
330.72247	0.6
331.15494	19.2
332.15552	1.1
349.16559	71.5
350.16904	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	349.1655
Annotation	ent-15,16-Epoxy-2beta,3beta,19-trihydroxy-18-nor-13(16),14-labdadiene-7,12-dione
Peak:m/z	Relative Intensity
50.55929	1.0
57.03312	0.9
59.01239	4.5
69.69293	6.3
71.01250	12.8
72.99181	23.6
75.00748	4.5
78.46169	1.1
80.96371	0.8
85.02827	1.5
93.03311	1.0
105.61620	0.9
108.02153	1.1
109.02827	1.2
113.36752	0.8
122.03613	18.3
123.04434	2.0
126.99461	4.2
135.04430	2.4
137.02306	4.2
137.37314	0.9
138.03116	4.0
138.09927	1.1
146.03630	5.7
147.04420	10.9
148.05142	1.4
149.05943	1.1
150.03151	1.6
151.08661	1.1
159.04404	8.2
161.05988	3.3
162.03127	13.8
162.06798	11.9
163.03813	1.0
165.01767	1.3
172.05225	1.7
173.05986	2.2
174.03195	3.1
175.07553	1.1
187.03960	3.3
187.07614	1.4
187.30110	0.9
188.04704	11.1
188.08333	1.6
211.13333	17.2
231.13937	3.6
233.15462	3.4
259.13376	100.0
260.13663	7.3
269.11899	1.3
269.15353	1.5
277.14432	73.1
278.14777	4.4
285.14996	9.2
287.12970	4.4
295.13409	5.4
301.14578	1.7
303.16006	7.2
305.06146	1.1
313.14471	18.0
314.14694	1.7
314.80869	0.9
319.15616	4.0
324.76944	1.0
331.15488	31.3
332.15884	2.9
349.16550	66.0
349.20306	13.8
350.16843	6.3
350.23715	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	19.7
65.03838	10.0
66.03385	3.4
69.04449	4.7
71.01260	9.4
71.35078	6.6
75.06509	2.6
78.81933	2.5
79.95610	4.5
80.00790	3.0
80.04925	39.9
80.96386	60.6
85.02824	8.0
86.13577	2.8
92.04956	3.6
96.04426	14.3
99.00763	4.3
101.02361	4.3
106.06514	8.0
116.04953	7.1
118.06525	11.6
121.02885	3.7
122.02351	8.0
124.03979	3.9
126.99471	5.2
135.09244	5.6
139.60126	2.9
142.11189	3.4
142.12279	61.6
144.98660	12.6
162.05518	29.1
179.08223	4.5
187.13271	15.0
188.15324	3.5
195.14948	11.6
224.12996	4.2
256.80917	3.3
261.19717	4.5
268.27997	2.8
305.18695	100.0
306.18979	8.8
309.76620	3.2
319.39108	3.7
349.04242	18.3
349.18573	55.8
350.19009	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	349.1657
Annotation	Eurycomalide A
Peak:m/z	Relative Intensity
53.81388	1.1
57.76674	1.5
59.01244	6.1
65.46448	1.2
68.88479	1.2
70.95434	1.1
71.01252	12.4
71.57496	1.6
122.03635	32.5
123.04398	5.7
123.08027	1.5
126.99414	2.0
135.04427	5.4
136.05208	3.4
137.02341	2.3
138.03157	2.5
139.03880	1.3
146.03647	14.0
147.04440	13.1
148.05214	4.6
149.06009	4.1
150.03157	2.9
159.04446	22.0
160.05096	1.5
161.05930	5.4
162.03142	36.0
162.06792	13.5
163.03467	1.6
165.01790	3.0
172.05251	7.7
173.05980	7.7
174.03111	5.8
174.06741	1.9
176.04852	1.5
184.05132	1.5
187.03961	7.0
187.07562	5.0
188.04718	29.8
188.08348	12.1
189.05031	2.2
197.06068	2.0
203.10770	2.0
206.22343	1.3
211.13315	9.0
219.78210	1.3
231.13858	2.7
233.15440	3.5
259.13388	96.6
259.16833	3.8
260.13763	8.7
267.13849	2.2
269.12003	1.6
269.15500	4.0
277.14450	71.2
278.14780	4.6
283.13489	1.6
285.14966	66.0
286.15234	5.7
287.12894	5.3
293.14005	1.5
295.13467	9.0
301.14575	3.5
303.16013	69.4
304.16367	5.7
313.14468	41.6
313.17471	1.1
314.14871	3.1
319.15515	8.7
331.15506	91.0
332.15805	6.9
349.16544	100.0
350.16812	10.3
350.41675	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	349.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
71.01263	6.7
71.57130	10.3
72.99169	12.5
74.90163	7.5
81.39248	4.8
96.95850	6.3
107.97503	5.5
109.95699	5.8
120.01118	12.5
134.53528	5.1
223.09996	5.2
349.15036	9.9
373.33908	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.6
59.01250	3.6
59.28811	0.5
71.04899	1.2
71.37802	0.8
93.03336	0.8
97.06477	0.5
99.08059	1.0
105.31595	0.5
117.03350	22.3
117.04196	1.1
118.03696	0.7
119.04922	58.2
120.05276	1.9
121.02831	1.5
145.02861	93.2
146.03197	3.9
157.12277	2.2
163.03926	100.0
164.04280	3.4
165.12733	0.5
166.64020	0.6
185.11786	1.4
191.03482	0.9
203.12836	8.4
233.11574	4.6
349.02414	0.8
349.16437	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	349.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38751	0.6
51.11176	0.6
52.28219	0.6
58.02844	3.2
59.01250	1.9
70.02850	12.6
71.01247	6.8
71.04892	18.2
71.36750	1.5
72.00761	0.9
78.60341	0.7
87.05512	6.8
89.02317	1.0
91.36839	0.7
91.63262	0.8
99.04379	6.0
110.61669	0.7
115.05003	2.5
116.07049	3.5
128.03459	3.5
129.05449	2.2
130.03221	10.0
133.06802	2.2
135.04376	0.9
146.08133	100.0
147.05891	4.7
147.08461	2.2
147.73181	0.7
167.20930	0.7
171.07687	1.5
171.24197	0.7
217.11880	21.3
220.10057	0.7
243.13496	1.0
277.12277	94.3
278.12607	4.5
306.11749	0.8
306.15091	0.8
311.56760	0.7
326.60748	0.8
349.14401	30.9
350.14761	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	349.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90415	3.7
59.01256	94.0
71.01251	15.5
71.57709	6.6
80.96392	46.5
82.94116	3.7
85.02814	10.8
89.02319	11.0
92.78629	3.8
101.02324	13.4
104.41822	4.0
113.02334	6.0
120.08090	29.6
126.99459	26.5
138.05531	6.1
152.03398	5.6
164.07120	5.5
167.05777	14.5
170.09627	7.6
184.11215	7.1
200.14417	29.4
227.11958	4.2
229.10840	6.2
239.08205	22.3
240.08501	4.8
244.13402	42.5
253.17674	4.0
254.10541	10.2
269.12933	100.0
270.13306	7.0
276.12225	7.1
287.14102	45.4
301.11899	4.5
305.13831	4.6
307.17545	9.0
313.11795	4.7
319.12854	6.8
331.12982	33.2
349.04129	10.8
349.18805	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	349.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80398	0.5
59.01249	1.2
69.61936	0.5
70.52962	1.8
78.95786	3.8
85.36716	0.5
119.04922	0.8
121.02969	0.6
134.03622	1.0
135.04465	0.8
152.99486	20.8
154.95335	0.5
155.59033	0.5
183.13846	14.3
184.14253	0.7
187.34477	0.5
195.13858	14.1
213.14920	100.0
214.15234	4.6
287.16269	0.7
349.14227	12.7
349.19208	0.6
349.20096	0.6
349.23993	0.8
350.14316	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0944
Annotation	6-[2,3-Dihydroxy-1-(hydroxymethyl)propyl]-1,2-dihydro-7-hydroxy-9-methoxy-cyclopenta[c][1]benzopyran-3,4-dione
Peak:m/z	Relative Intensity
53.25329	0.4
59.01229	1.9
69.79984	3.0
71.01253	6.8
71.04883	0.7
72.98905	0.4
72.99188	4.1
73.02805	1.0
75.00743	8.5
75.02454	1.4
80.65809	0.5
85.00893	2.0
85.44998	0.4
87.00735	0.6
89.04011	0.6
94.18770	0.4
98.19843	0.5
98.20372	1.0
99.00749	0.9
99.02468	1.0
99.99597	1.8
100.98677	0.5
101.00399	9.9
101.02307	1.5
101.04047	0.8
103.00242	6.1
105.01796	1.5
108.68822	0.4
110.03995	0.5
112.98704	3.4
113.00360	0.6
114.98327	1.8
115.00251	4.1
115.01965	6.0
115.03906	2.3
124.98704	1.7
127.01971	1.0
129.01837	1.0
129.03529	1.3
133.04970	2.3
142.99771	1.7
143.01453	1.4
145.03003	2.1
145.75424	0.4
155.01445	0.6
157.01299	1.1
159.00912	0.8
159.04608	10.0
171.00964	2.8
173.00832	0.5
173.02316	0.5
173.06178	5.0
201.02100	3.4
201.05655	1.1
213.05684	2.5
231.03117	7.1
233.04697	35.1
234.05014	1.4
259.06396	0.7
261.07846	0.5
287.05841	1.7
289.07675	0.5
291.05426	0.6
317.07040	2.7
321.02460	0.5
349.09467	100.0
350.09979	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	349.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	3.4
56.03851	3.6
57.91330	3.4
59.01250	7.9
68.99672	4.5
69.03326	22.8
70.58968	4.1
70.59317	9.6
71.01250	10.0
81.03318	6.2
83.01272	5.9
85.02810	7.4
93.03367	3.6
95.01255	6.4
96.42243	3.0
97.02812	31.8
108.02061	17.1
109.02840	39.1
121.02869	3.6
123.00766	11.0
124.01488	5.4
125.02335	100.0
126.02721	3.2
131.13438	3.1
137.02315	4.2
143.03296	4.9
151.00302	7.7
152.01042	8.3
153.01852	23.9
161.04506	3.1
169.01340	18.4
187.02472	8.3
195.92630	2.9
349.07541	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	348.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	6.8
69.81438	8.2
69.96124	1.5
72.99171	1.4
74.02351	1.7
83.42493	1.5
98.19885	2.5
103.37792	1.7
120.01141	100.0
121.01561	1.5
133.38426	1.6
143.04584	2.0
145.06085	1.5
152.67871	1.6
157.98965	1.6
209.11778	39.2
210.12186	2.1
227.12823	20.5
228.13013	1.9
293.98566	1.6
370.72357	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	349.0694
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	30.4
65.37251	0.7
69.42224	1.6
69.42628	4.2
71.01254	1.4
73.19071	0.6
80.96388	1.7
101.02308	0.9
126.99454	100.0
127.99773	2.5
161.04465	0.8
185.11757	1.3
189.25307	0.6
241.30269	0.5
289.04919	1.2
331.17538	0.7
349.15085	1.0
349.18753	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	347.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69601	5.9
59.01252	100.0
62.64156	7.0
65.06979	6.9
71.18251	10.4
71.18597	15.5
75.64412	6.8
77.13472	6.9
104.90538	6.4
131.50592	6.8
149.12630	6.2
152.99582	7.0
156.32393	6.4
164.07068	7.6
228.89986	6.4
347.23676	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	347.2228
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
52.03723	0.7
57.03329	0.9
57.28694	0.6
59.59028	0.7
69.03339	0.9
73.49277	0.8
88.17215	0.6
92.19601	0.8
93.03326	1.1
98.20572	1.8
106.04104	0.8
107.04906	9.2
109.06498	4.7
120.05726	0.8
121.02806	1.6
133.06482	0.7
135.04425	1.3
135.10690	0.6
141.85414	0.8
144.05647	0.9
146.73361	0.7
147.04437	1.7
147.38808	0.7
149.05893	1.4
150.98219	0.7
151.07504	1.5
161.06049	1.6
162.06773	8.4
193.15936	1.2
195.17461	0.8
209.19069	3.9
229.22316	0.7
233.18922	0.9
243.76744	0.7
260.21280	0.8
261.22253	1.3
273.22263	1.2
275.23868	4.4
285.22232	3.7
287.20343	1.9
288.20987	0.9
301.21738	2.0
303.23300	100.0
304.23645	8.6
329.21399	0.9
347.22260	19.4
347.26669	1.0
347.28226	1.3
348.22644	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	347.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	19.2
68.02407	27.2
68.94409	10.3
69.39839	92.4
70.10966	12.6
109.02839	100.0
110.74154	11.5
121.02839	21.6
160.98853	13.8
171.10211	27.4
175.11195	34.8
193.12117	19.5
208.82590	11.9
211.13252	14.2
225.14952	19.5
284.41156	11.0
309.20578	14.9
311.22272	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	86.0
63.35943	7.3
63.83580	7.8
69.23579	85.1
69.23971	15.3
72.99220	7.9
95.40514	7.0
96.00726	7.8
96.95916	9.3
142.98990	15.4
152.99474	12.1
171.10275	10.1
201.11266	12.2
211.13336	32.3
256.35022	8.0
293.94037	8.6
298.72699	7.8
305.82315	8.0
347.18015	9.1
347.24289	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	347.1499
Annotation	Gibberellin A77
Peak:m/z	Relative Intensity
55.25001	0.5
59.01242	1.2
59.01962	0.5
69.41612	4.0
80.42609	0.5
85.02841	0.8
96.95895	1.0
98.20068	2.2
99.04388	13.4
107.04908	2.4
111.04375	0.5
117.27771	0.5
121.06493	0.9
131.08553	1.7
135.04413	71.9
136.01563	1.6
136.05084	2.8
136.06111	0.8
146.81403	0.5
149.06026	0.9
157.06525	0.8
160.05217	2.6
161.05981	1.2
173.05954	0.6
174.06779	7.7
175.07568	6.4
176.08340	14.2
188.08463	1.0
189.09131	8.5
190.69414	0.5
191.10640	2.6
203.06779	0.6
244.14658	100.0
245.14981	7.3
259.17023	26.1
259.19882	0.8
260.17325	2.4
266.53445	0.5
270.12457	0.7
285.15036	0.5
288.13818	2.4
303.13260	0.6
303.16013	16.5
304.16498	0.8
329.13919	4.1
329.17389	0.8
331.59912	0.5
347.14975	13.9
347.19083	1.1
348.15002	1.4
348.18552	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1713
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
51.54806	2.4
55.01755	2.5
55.03994	1.7
58.00474	2.6
59.01254	47.8
65.09495	1.9
69.26913	22.0
71.01254	35.3
71.10547	1.8
72.01591	2.2
72.76257	2.3
72.99171	3.2
73.02819	6.5
83.01250	4.9
85.02831	16.1
87.00716	2.0
89.02322	19.7
89.10037	2.0
95.01261	2.6
99.00768	4.0
101.02328	30.6
111.29800	2.0
113.02325	11.8
119.03370	7.7
136.24442	1.6
139.33299	1.9
142.44081	1.7
161.04474	2.7
167.10713	14.8
169.12262	12.1
179.05820	2.1
185.11752	5.2
191.12617	2.1
197.11786	5.0
207.31218	1.9
229.14355	11.2
241.10522	2.1
273.90591	1.9
285.17914	3.2
303.18689	2.7
315.14432	7.6
347.17123	100.0
348.17465	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	347.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08338	13.8
58.43135	15.3
59.01237	34.8
71.57570	16.0
82.92326	14.1
93.03375	19.9
102.46217	15.3
111.60742	12.3
120.73462	15.5
123.09146	44.8
123.76936	12.5
126.99420	30.1
128.99152	24.8
129.97629	14.6
135.07924	15.4
136.17448	13.7
143.48650	13.0
160.95630	37.5
162.95251	87.2
165.77867	16.7
185.88928	14.2
200.10635	66.5
211.13290	33.9
233.15202	18.2
249.14848	17.1
272.94656	24.4
274.48999	13.7
293.21323	24.3
311.22321	100.0
329.21439	22.1
346.37781	13.8
347.14789	28.3
347.18539	33.7
347.25891	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	347.0902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71354	16.3
56.90640	13.9
59.01247	28.9
70.44415	40.1
84.04402	17.1
89.58640	13.9
95.77728	15.4
128.03415	20.4
131.87097	15.4
136.00957	14.8
198.10782	15.6
226.73360	14.9
233.57190	15.8
236.24417	14.2
247.10526	18.5
265.11917	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	347.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
67.27190	21.5
69.03316	21.8
70.26376	100.0
105.52151	22.3
118.97256	24.0
135.58301	18.7
275.97141	21.2
301.46750	21.6
347.05313	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	347.1136
Annotation	5'-Hydroxymonocillin III
Peak:m/z	Relative Intensity
54.99143	7.6
59.01256	16.6
70.22428	34.1
70.35394	6.2
71.01246	15.2
78.95774	18.5
85.02820	7.7
89.02299	6.9
93.03334	23.7
97.02837	8.3
101.02312	14.5
108.02068	9.3
109.02824	48.2
109.19274	7.0
119.04902	14.3
120.01145	7.8
121.02853	58.0
123.00748	22.0
123.04413	17.8
124.01538	31.7
125.02365	33.6
131.04918	17.2
135.04398	19.2
136.01602	10.4
137.02357	66.3
138.02713	7.7
139.03856	11.9
143.04955	8.4
147.04449	10.1
149.02353	23.5
149.05972	16.5
151.03893	26.9
153.01822	23.5
159.04385	31.4
161.06003	21.9
163.03830	8.8
166.02713	10.3
167.03413	59.9
175.03941	8.9
177.05519	15.6
179.03404	21.9
181.04893	10.6
189.05492	21.9
197.04463	22.3
209.11751	20.8
227.12794	8.4
241.03842	18.3
241.08760	8.7
263.07080	15.8
269.08154	44.4
281.08231	21.6
281.76129	6.5
287.09027	9.9
287.69720	6.0
299.09241	100.0
306.02658	7.5
306.28598	7.3
311.09180	8.0
317.10294	31.1
329.10239	65.9
347.11145	46.7
347.17191	12.1
348.26566	9.0
355.88977	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	345.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.3
59.01254	38.0
63.03384	0.8
69.46724	2.3
69.47137	4.4
76.58905	0.8
78.95792	5.7
96.95927	1.1
98.19830	1.8
113.09598	1.0
133.04941	1.2
135.04417	1.1
152.99446	5.7
171.10194	0.9
181.12135	0.7
185.11761	2.3
195.17459	9.4
197.11743	0.9
199.01833	0.9
209.19048	11.5
211.13550	0.9
211.17000	10.3
223.30264	0.8
225.18542	6.7
227.20174	0.9
233.65479	1.1
239.20184	1.1
241.21748	1.6
248.95894	0.8
257.21207	3.8
285.20740	21.3
286.21112	1.6
290.97095	2.2
303.21768	100.0
304.22174	7.8
327.15915	0.9
327.21387	1.2
345.22824	43.1
346.23297	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	346.0557
Annotation	Adenosine 3'-monophosphate
Peak:m/z	Relative Intensity
59.01243	15.9
64.03579	2.7
70.32137	5.8
70.32522	10.3
77.44021	2.5
78.95777	60.8
96.96849	14.9
97.25695	3.4
111.58555	3.2
120.96824	9.0
123.04424	10.1
124.04790	5.3
126.03001	9.6
134.04630	41.1
162.01068	2.7
169.31923	3.1
211.00063	100.0
212.00465	3.9
260.94983	2.7
324.62210	3.2
336.03973	2.7
346.05630	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	346.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50283	0.8
59.01256	5.0
60.91125	0.9
66.03355	0.9
71.01247	2.9
71.57843	1.6
83.04888	0.9
85.02827	2.5
89.02293	1.8
93.03869	1.7
93.04459	34.2
96.95872	4.3
101.02295	1.3
101.37317	0.8
111.08048	1.6
118.10854	0.7
123.04356	0.9
133.00745	0.9
134.09637	2.8
135.68098	1.0
137.03442	0.9
141.00075	2.0
142.97171	2.6
142.98959	14.5
146.09647	2.1
162.12790	17.2
164.14362	51.6
165.14658	1.8
166.98190	0.9
167.10699	0.9
168.99553	3.2
172.11250	2.4
185.11647	1.1
186.96178	4.9
190.12297	51.4
191.12657	1.9
195.04703	1.0
208.13373	58.8
209.13652	3.3
258.19800	1.8
267.06937	3.7
284.17700	53.1
285.18076	3.7
289.52338	0.9
302.18744	36.4
303.19165	2.0
328.16864	4.3
346.17712	100.0
347.02896	1.8
347.17697	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	345.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	1.0
57.13272	0.6
59.01250	1.7
69.03316	0.7
71.01279	0.6
71.04871	1.6
71.45133	0.9
78.95773	2.2
83.04899	2.5
84.02027	1.1
85.02814	1.0
97.06428	0.9
99.08037	4.0
111.08063	0.9
123.08045	2.1
125.09627	2.7
129.09084	1.2
134.46875	0.5
137.09595	1.5
139.11151	0.6
141.09094	1.9
151.11150	1.8
152.40483	0.6
152.99512	2.6
153.12805	0.7
155.10725	0.6
163.11250	1.9
174.35910	0.6
181.12288	12.2
211.13422	1.4
227.10045	0.5
227.12817	4.8
245.13960	2.7
283.72189	0.6
301.20126	0.7
303.20929	3.3
345.22824	100.0
346.23062	8.7
355.03958	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.7
58.00471	1.3
59.01252	5.5
71.57549	0.7
71.57958	0.7
72.99200	0.6
73.02824	1.3
73.06483	0.4
78.95781	7.1
83.04906	1.4
86.71068	0.5
96.96842	0.8
97.06477	0.7
99.08035	6.6
107.04909	0.6
111.08049	0.5
112.03569	0.5
113.09613	0.7
121.02803	0.5
123.04350	0.6
125.09627	0.8
127.07550	1.0
128.16360	0.4
129.09128	6.0
135.04422	1.2
137.09625	0.8
139.11166	4.0
141.12782	1.2
142.43011	0.4
152.99489	8.3
153.12759	0.6
157.89838	0.5
162.00041	0.5
169.12257	6.8
171.00485	0.6
171.10141	0.6
181.12247	2.4
185.11815	0.8
197.11781	1.1
199.13374	0.9
215.12816	3.2
227.12917	0.9
251.16357	1.0
290.97046	0.6
303.21756	1.1
309.20801	0.9
327.21832	3.3
345.22824	100.0
346.23190	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	345.228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	2.7
59.01250	53.8
68.02409	2.0
69.03322	1.0
71.01252	7.1
72.64875	0.7
72.99178	0.7
73.02811	1.9
78.89242	0.6
78.95799	1.0
79.95612	0.8
83.01228	0.7
83.04872	0.8
85.02821	4.5
89.02310	2.2
93.03328	0.8
95.01279	0.8
96.71328	0.8
96.95879	13.2
97.06515	1.0
99.00768	0.9
99.08022	4.0
101.02339	4.7
108.02045	0.8
109.02828	1.4
111.00772	1.0
111.08068	1.2
113.02312	2.1
113.09593	4.5
119.03386	0.9
121.02827	0.9
122.03745	1.0
123.04419	7.8
123.08009	1.5
125.09620	1.5
127.11180	1.5
129.09126	5.5
134.03627	31.4
135.04358	3.0
139.11125	1.3
141.09137	1.2
143.10680	13.6
146.03683	1.2
148.05202	0.7
152.99477	1.0
155.10686	1.8
157.12239	3.0
158.03577	0.8
159.04437	4.3
160.05176	1.2
161.04462	1.9
165.12807	1.5
171.10127	0.8
172.05182	6.6
173.05948	2.3
174.03139	1.8
174.06760	1.1
176.04677	2.5
183.13846	1.3
186.06906	1.0
187.03925	15.8
187.07568	1.7
188.04572	1.6
197.05923	1.6
198.06807	1.1
201.05486	3.1
201.11224	1.4
202.06317	6.5
204.04294	1.4
211.07573	1.0
211.13338	19.8
212.13638	1.5
219.17433	0.8
225.18668	0.9
227.20096	1.7
235.16946	0.8
237.18590	4.9
239.20113	2.1
253.05020	1.2
257.15439	3.2
257.21213	8.6
283.13391	25.3
283.16516	1.1
284.13812	2.2
285.17456	1.3
285.20718	20.9
286.21124	1.5
299.16452	3.9
301.14435	13.8
302.15018	0.9
302.21280	1.3
303.21753	100.0
304.22116	7.3
309.14948	9.9
309.93124	0.8
317.17664	3.6
327.12164	1.1
327.15988	21.1
327.21732	1.6
328.16367	2.4
345.12924	1.6
345.17032	31.6
345.22729	45.2
346.17432	3.4
346.23010	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	345.2283
Annotation	oscr#20
Peak:m/z	Relative Intensity
50.65799	0.5
51.79586	0.6
53.79522	0.5
57.03328	1.8
57.07312	0.6
59.01236	1.1
63.56972	0.6
71.04885	1.1
71.45170	1.3
72.11384	0.5
78.95782	4.9
82.83675	0.6
83.04905	2.4
84.02053	0.8
85.02863	0.9
96.72581	0.5
96.96842	0.7
97.06462	0.8
99.08036	3.8
109.70119	0.5
111.08017	1.2
113.09603	1.1
113.93626	0.6
116.51711	0.6
123.08069	1.5
124.67900	0.6
125.09625	2.3
129.09100	1.3
134.67104	0.6
137.09633	1.3
139.11177	2.3
141.09117	2.2
141.12727	0.8
150.22227	0.7
151.00708	0.5
151.11182	1.7
152.99533	8.3
153.12746	1.3
155.10744	0.7
163.11227	0.8
169.12196	0.9
171.10233	1.1
181.12263	8.8
182.12611	0.7
184.81102	0.7
187.09705	1.1
197.11772	0.8
215.12788	1.6
227.12761	2.9
245.13928	2.0
245.71715	0.6
248.95836	0.7
251.16617	1.4
253.14525	0.6
303.21494	1.3
309.20670	0.8
327.21478	1.5
345.22809	100.0
346.23138	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	345.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87193	0.7
51.80090	0.8
57.27093	0.8
58.00465	2.4
59.01255	2.1
60.42404	0.9
61.90894	0.8
69.40800	7.9
73.02795	0.9
78.95773	3.4
80.02586	1.1
81.03322	1.3
83.04899	3.8
84.02020	1.0
84.79704	0.8
95.04963	1.0
96.40363	0.8
104.73355	0.9
108.02222	0.9
111.08024	1.1
112.49899	1.0
129.09135	1.1
134.03648	0.9
139.11191	2.0
141.09117	1.3
141.12740	9.4
142.92291	0.8
147.99174	0.9
151.11205	1.2
152.99481	2.4
163.11224	3.2
165.12752	1.4
169.12265	21.6
169.13660	1.7
171.13835	3.4
181.12187	2.7
185.11769	3.0
197.11729	5.2
199.13335	28.5
200.13718	2.1
209.11781	29.4
210.12164	1.6
213.53497	0.8
215.12781	4.3
243.12473	1.1
245.13919	100.0
246.14226	4.7
281.21259	2.6
290.97263	0.9
327.21747	14.8
345.22833	40.8
346.23297	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	345.2282
Annotation	oscr#20
Peak:m/z	Relative Intensity
57.03316	1.6
59.01250	9.0
69.43002	5.5
69.43415	1.4
71.04881	0.8
72.37985	0.8
73.02825	2.2
78.95778	3.7
81.21293	0.8
84.02070	1.9
98.20496	1.5
99.08034	2.7
99.74575	0.8
109.06466	0.9
111.08046	1.3
113.09613	1.9
123.08036	0.7
125.09625	3.0
127.07518	0.9
129.09105	3.7
130.89093	0.8
137.09630	1.1
139.11203	3.4
141.09103	1.8
141.12685	1.1
151.11163	1.5
152.99477	5.4
155.10666	2.6
157.12268	0.9
160.30843	0.9
165.09113	0.8
169.12192	1.8
171.10178	7.1
181.12283	2.1
185.11726	6.3
187.09715	1.0
197.11755	2.8
201.11368	4.4
202.82269	0.9
213.09512	1.1
213.11198	4.7
215.12892	3.2
218.55376	0.9
227.12849	2.8
229.14346	1.4
243.12392	1.8
244.70021	0.9
245.13698	0.8
248.96207	1.0
255.19743	0.8
285.20731	3.4
303.21741	10.9
304.22281	1.4
309.21042	1.1
311.22256	0.9
317.71561	0.9
327.21738	3.0
345.22815	100.0
346.23129	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	345.2068
Annotation	12-O-Methyl carnosic acid
Peak:m/z	Relative Intensity
54.64901	1.1
57.68206	1.1
59.01261	2.0
71.57801	1.9
101.18225	1.2
117.06944	1.6
120.40150	1.0
123.04398	2.0
143.04939	2.3
146.03662	2.3
148.02217	1.4
161.05997	32.2
162.06781	100.0
163.07135	4.4
206.05759	3.5
271.20731	1.4
301.21744	14.3
302.21960	1.2
345.14328	2.3
345.20703	18.3
346.21094	1.9
357.61960	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74093	35.7
67.67786	35.7
71.58315	51.0
78.95786	72.8
103.26493	41.3
179.41370	32.6
186.95703	42.5
211.09341	36.6
214.12839	40.9
251.16525	46.2
284.94510	37.0
290.97043	95.0
309.20645	100.0
345.17023	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22303	14.5
59.01255	96.3
70.93041	28.4
70.93385	13.5
73.05181	15.2
83.01355	12.2
90.64973	12.9
97.45586	12.5
103.30235	13.9
110.18877	13.1
111.08017	18.0
115.30289	15.7
117.34280	12.0
121.88706	14.6
123.04411	100.0
126.99496	16.1
160.95564	15.9
197.11732	46.9
203.69751	13.1
214.00320	14.3
227.12715	18.0
229.13287	16.8
274.42706	15.6
299.25714	26.5
309.20694	86.1
345.21234	19.3
345.30103	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
62.10422	1.8
62.92453	1.7
64.80060	1.5
68.65093	1.8
68.94521	1.5
71.01228	3.9
71.56033	2.8
75.00753	2.6
75.28074	1.6
83.01212	1.8
86.42515	1.9
95.04917	3.2
101.02347	2.2
113.02324	2.4
123.04411	94.8
124.04749	2.6
147.06535	19.5
161.04446	4.2
185.05817	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1554
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
52.82214	1.4
55.01742	4.9
57.03312	5.0
58.00455	4.2
59.01250	78.9
59.18521	1.5
62.69078	1.4
62.78297	1.5
64.14550	1.4
70.97665	2.7
70.97996	1.8
71.01250	79.4
72.99157	4.4
73.02820	17.7
76.16244	1.3
83.01261	9.5
85.02827	26.4
87.00726	3.5
89.02316	44.3
90.02666	1.6
95.01249	5.0
96.95904	1.6
97.02774	1.7
99.00755	5.0
101.02321	67.3
111.00731	2.5
113.02330	31.9
119.03381	22.2
121.10110	17.0
123.04425	9.0
132.04489	2.0
135.04388	3.2
143.03381	3.1
159.02884	2.8
161.04469	10.8
165.04172	3.6
165.05472	1.8
165.09178	1.9
178.57784	1.4
179.05560	3.2
183.10158	9.0
198.51552	1.4
249.54916	1.5
257.12985	2.1
265.16910	1.5
301.11871	3.1
301.16318	2.1
345.11172	6.3
345.15506	100.0
346.15747	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	344.135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84990	19.4
59.01242	62.9
70.65520	27.1
70.65852	43.1
71.01244	47.8
89.02288	26.7
92.60672	20.6
134.96361	23.1
138.40208	20.2
147.04352	43.5
147.06516	100.0
153.16266	21.3
157.44739	19.1
164.07066	95.4
183.13216	22.2
214.62444	20.7
218.25952	25.3
342.83661	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	345.119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	93.3
65.31921	6.3
70.00176	32.0
70.44759	5.8
70.67757	5.3
78.95785	9.1
105.01645	5.1
123.04417	100.0
124.81246	6.1
127.23556	5.1
137.42073	6.0
137.55315	5.3
257.25882	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	343.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	9.1
62.93101	1.1
65.34193	1.1
68.02406	1.5
71.01245	2.7
71.58049	1.8
73.01033	1.4
78.95774	1.8
80.96358	1.9
83.04877	2.2
85.02834	1.0
89.02316	1.4
95.04890	1.7
97.06438	2.0
99.08011	1.4
101.02306	1.5
107.04900	2.4
113.02286	1.4
113.09641	1.8
121.02867	5.2
121.10106	7.0
125.70206	1.1
127.11166	2.2
135.08069	2.8
137.04372	1.0
137.09639	2.2
139.11154	2.3
153.09160	2.0
155.80217	1.1
171.10172	60.4
172.10573	1.6
184.01556	1.1
185.00754	3.1
193.12337	1.7
199.02290	1.8
200.04803	1.3
201.02522	1.6
201.11266	1.8
211.13263	6.0
214.22534	1.2
227.11084	1.3
245.12056	2.9
291.19611	1.6
293.21097	1.4
305.17673	1.3
325.20374	2.0
343.17926	10.3
343.21606	4.7
343.24866	100.0
344.25198	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	343.2489
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
51.10115	0.5
57.03328	0.5
58.00470	1.6
59.01244	1.9
69.03318	0.5
69.53525	4.1
73.20054	0.5
75.89157	0.5
75.97367	0.4
89.47863	0.4
97.06438	0.9
99.08042	14.6
111.08066	0.7
127.07538	3.6
129.09114	14.0
151.11192	0.9
163.11147	0.6
167.14339	0.5
181.12268	13.1
182.12630	0.6
183.13867	2.6
193.12253	2.8
194.47746	0.5
195.14087	0.5
207.94427	0.5
211.13364	14.0
212.13727	0.6
213.14923	19.6
214.15282	0.8
275.20068	1.6
293.21262	2.3
311.22302	3.2
343.24890	100.0
344.25235	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	343.2489
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
57.03313	1.2
59.01261	3.4
59.01496	0.7
69.03317	2.8
69.30670	7.4
72.99178	1.6
73.09331	0.8
78.95766	1.6
83.04896	2.0
97.06481	1.1
98.20493	1.5
99.08035	9.2
121.02856	1.2
125.09592	2.3
127.11147	1.4
135.08067	1.5
137.09625	2.0
139.11168	1.0
151.37309	0.7
165.12758	1.0
171.10191	14.8
175.11162	1.0
185.11798	1.1
193.12265	17.3
194.12538	1.0
197.15414	1.2
209.11720	1.3
211.13326	3.9
225.12775	1.4
225.14914	22.0
226.15323	1.3
237.14838	1.2
243.15984	7.4
249.14972	0.7
250.38875	0.8
251.16566	1.0
269.17487	0.7
293.21240	1.6
307.18961	0.8
311.22406	1.2
325.20233	1.2
325.23901	1.8
343.21313	7.2
343.24869	100.0
344.21408	1.5
344.25150	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25130	0.7
57.03327	1.4
59.01230	2.0
61.35774	0.6
65.34547	0.6
66.87103	0.6
69.03326	0.8
71.01225	0.9
71.57993	1.1
71.66240	0.6
78.95795	0.7
83.04896	2.1
95.04893	0.8
97.06475	1.7
99.08028	2.2
107.14388	0.6
113.09573	1.6
121.10126	8.5
122.10433	0.8
125.09612	2.3
127.11172	1.8
129.09024	0.6
135.08006	1.1
137.09605	2.5
139.11180	2.8
141.09181	1.0
153.09132	1.4
155.10689	0.9
160.00940	0.6
165.09183	0.9
171.10188	62.4
172.10507	1.4
180.60982	0.7
187.23581	0.6
193.12311	3.4
195.13857	0.8
201.11220	1.1
209.11800	0.6
211.13356	1.8
213.11237	0.9
225.14951	3.7
237.14890	0.8
243.15923	1.2
249.15059	0.8
255.16081	0.7
293.21280	7.3
311.22598	0.9
325.20288	1.6
330.89053	0.8
332.97519	0.8
343.21234	10.9
343.24893	100.0
344.21399	1.4
344.25156	8.8
365.06989	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2486
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
57.03308	0.5
59.01254	3.2
64.32816	0.4
69.03310	1.7
69.27327	3.9
71.01261	0.5
78.95775	0.4
80.02530	0.4
81.03344	0.5
83.04890	1.4
89.02270	0.4
97.06475	1.1
98.03442	0.4
98.19753	0.7
99.08028	7.7
109.06477	1.0
121.02850	2.1
121.10120	3.3
123.08047	0.5
125.09581	1.8
127.07489	0.4
127.11172	1.2
137.09579	1.7
139.11171	1.3
145.45082	0.4
151.11130	0.6
163.11070	0.4
165.12715	0.6
171.10187	24.1
172.10522	0.9
175.11163	0.8
185.00699	0.6
193.12279	14.9
194.12592	0.8
201.02412	0.6
201.11296	0.9
209.11720	1.2
211.13351	3.8
225.14909	18.6
225.17125	0.9
226.15248	1.1
243.15974	6.0
289.18060	11.2
290.18332	1.0
293.21243	1.9
307.19119	1.6
311.22235	0.6
325.23798	0.6
343.11404	1.2
343.17987	3.2
343.24863	100.0
344.18643	0.5
344.25211	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.0
57.03323	3.3
58.23824	1.3
59.01246	3.7
69.03339	7.0
71.04900	9.9
71.13322	2.2
76.25729	1.4
81.03326	2.8
83.04897	30.4
87.04385	9.3
95.04903	14.3
97.06470	17.7
99.04385	1.6
106.04122	14.9
106.39483	1.3
107.08529	1.9
117.06989	1.6
118.17192	1.3
123.08010	4.3
124.05239	1.6
125.09626	3.6
127.11194	2.9
133.06506	2.3
135.08057	40.4
136.08377	1.7
153.09151	12.6
161.23364	1.2
171.10190	89.5
172.10487	3.6
181.12321	1.9
185.11729	1.8
193.15822	1.6
195.57144	1.5
197.11874	1.5
201.11278	13.8
209.11899	2.8
209.15410	5.5
211.13315	2.5
219.13879	3.1
221.15453	3.4
225.14880	6.1
229.14359	3.8
231.13866	3.1
237.14908	14.1
249.14905	15.5
255.16016	25.8
256.16287	2.1
267.16046	2.9
285.17056	24.0
286.17346	1.8
289.18185	2.2
307.19263	2.4
325.20148	2.3
343.21255	100.0
344.21570	10.4
358.61505	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27134	0.9
57.03307	3.0
59.01244	2.6
64.38091	0.9
69.03316	3.5
69.22482	5.1
69.22905	5.8
71.01259	1.5
71.04886	2.6
78.95746	1.0
80.02563	1.2
81.03317	2.7
83.04903	12.4
84.02058	1.1
85.02814	1.7
85.06455	2.6
87.04380	1.7
95.04926	4.8
97.06462	4.5
98.20539	2.3
99.08019	1.5
111.04431	2.1
113.05949	1.0
115.07511	1.6
123.08051	3.9
125.05954	1.6
125.09647	1.2
127.07584	1.1
129.05467	7.0
129.09131	1.1
135.08105	1.0
139.11209	2.0
143.07002	2.4
150.08530	0.9
151.07640	1.4
151.11154	2.3
152.99533	1.4
163.11217	2.0
165.12810	1.3
171.10172	7.5
174.22586	0.9
177.09172	1.4
183.10201	1.4
185.11737	1.7
193.08524	1.3
195.10170	7.0
199.13293	2.8
201.11206	7.5
207.10152	1.1
209.11758	11.3
211.13394	4.7
213.11272	8.4
227.12781	1.4
229.14505	4.3
235.13457	1.1
237.14868	2.4
237.51277	0.8
243.12354	1.4
245.19214	0.9
249.15012	1.0
251.16574	1.1
255.16048	1.4
269.17563	2.3
289.18222	2.6
307.19205	2.3
325.20212	4.1
343.21255	100.0
344.21429	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	343.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	3.4
59.01250	10.5
62.07955	0.6
62.72156	0.7
69.03314	1.8
71.01241	1.6
71.04907	3.7
73.02805	0.8
79.05414	0.6
79.95611	0.8
81.03305	0.9
83.04893	6.7
84.02036	2.9
85.02811	3.2
85.06473	0.8
86.04887	0.6
87.04384	2.4
90.95176	0.6
95.04896	6.7
97.06454	4.1
98.20396	3.5
106.04113	3.3
109.06465	1.2
113.05957	1.2
120.26670	0.7
121.02852	1.0
123.08042	2.5
125.09587	1.5
127.11168	2.0
135.08052	10.5
137.09625	0.8
151.35431	0.7
153.09106	4.6
157.01408	0.6
165.09058	0.7
167.14355	1.2
171.10178	25.5
172.10490	1.1
174.03032	0.8
183.01109	2.1
183.02692	0.7
183.13823	1.6
184.01974	0.6
185.11757	1.0
193.12454	0.7
197.02681	1.4
201.11272	6.1
203.08122	0.6
209.11783	1.8
211.13336	8.9
213.14777	0.6
227.12703	0.8
227.61015	0.6
229.14426	14.2
230.14830	1.0
237.14909	2.9
241.14565	0.7
249.14867	3.2
255.16022	2.2
267.15909	0.8
281.17419	1.1
285.17114	4.1
289.18127	2.9
299.18710	0.7
307.19247	1.8
325.20190	2.5
336.78488	0.7
343.15973	7.7
343.21228	100.0
344.15845	0.7
344.17413	0.9
344.21594	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	343.2126
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
50.28266	1.1
51.19168	1.0
57.03326	2.5
59.01254	20.1
60.91525	0.9
62.36032	1.4
62.66032	1.2
67.05396	1.0
71.04885	1.2
71.45018	1.6
72.99168	4.4
78.95789	1.8
78.98230	1.0
83.04900	6.1
85.02824	1.6
111.04417	8.9
123.08089	1.2
125.09644	1.1
131.72394	1.0
141.12787	1.3
152.99474	2.7
169.12170	1.4
171.10141	2.5
171.13881	2.0
182.94569	1.3
183.13840	1.4
185.11790	3.4
188.52789	1.1
191.17995	4.4
197.11728	1.3
201.11252	2.1
211.13188	1.2
225.18559	2.6
237.14972	1.5
237.18544	13.6
265.18152	7.7
283.19061	7.6
284.84027	1.2
301.20212	100.0
302.20618	7.6
325.20316	2.1
343.21249	57.5
344.21622	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	343.2125
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
55.01745	1.5
57.03330	7.5
59.01252	6.3
64.38770	1.0
67.73762	0.9
69.03319	4.9
70.75609	2.4
70.75938	1.1
71.01258	2.2
71.04888	6.8
75.82883	0.9
78.95763	1.8
79.05393	1.4
79.95609	2.6
80.51527	1.1
81.03325	2.8
83.04895	16.1
85.02814	3.6
85.06451	2.4
87.04385	9.3
93.03334	3.3
95.04906	13.1
96.95897	1.4
97.02815	1.7
97.06477	12.9
99.04447	1.3
106.04137	8.2
107.08586	1.6
109.06438	3.4
111.04400	2.7
111.08095	1.3
113.05977	1.5
115.91940	1.1
119.04916	2.5
120.05677	1.3
121.02839	4.5
121.06464	1.5
121.86449	0.9
123.08032	4.2
124.05204	1.1
125.09587	4.5
127.11184	2.8
127.93639	1.1
133.06480	2.0
135.04404	1.0
135.08069	23.1
136.08458	0.9
137.09541	1.8
141.09052	1.2
153.09106	9.1
163.11220	1.7
165.12785	1.4
170.00328	4.1
171.10182	65.5
172.10495	2.1
181.12224	1.4
183.01147	56.2
183.13947	1.2
184.01556	2.5
185.11729	1.8
187.09621	1.3
197.02701	5.2
201.11282	13.3
203.03716	1.1
203.05603	1.1
209.11775	7.1
211.04196	1.2
211.13371	4.0
223.13283	1.5
227.12839	2.1
229.14412	6.0
231.13974	2.0
237.14932	19.9
238.15294	1.4
239.07387	1.8
243.16003	1.2
245.13893	1.5
245.19107	1.9
249.14929	11.7
250.15111	1.1
251.21617	1.1
255.06963	1.2
255.16006	1.4
267.16095	4.8
285.17078	7.8
289.18045	10.2
291.30978	1.2
307.19064	3.6
316.02274	1.1
325.20175	16.3
343.15787	100.0
343.21191	93.9
344.12827	1.1
344.16348	10.4
344.21368	9.5
358.21439	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
70.10314	2.3
70.10689	3.0
71.01254	7.3
72.67750	1.2
75.00720	1.7
81.17560	1.3
85.02791	1.5
88.05970	1.4
89.00376	1.4
89.02314	4.5
95.51071	1.3
96.95867	1.4
101.02305	3.8
113.02333	3.1
121.02875	6.6
125.09619	1.1
137.09685	1.6
161.69298	1.7
173.05913	2.0
181.97057	1.3
183.01146	3.8
241.14296	1.3
325.14441	2.0
343.12140	9.8
343.15729	3.3
343.21268	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47969	0.5
57.03067	0.4
57.03321	2.3
58.72747	0.5
59.01249	2.5
60.89273	0.5
68.02409	1.1
69.03313	0.5
83.73619	0.5
89.02344	0.5
95.04906	0.6
97.06462	8.9
121.02853	2.5
123.08033	4.0
125.09613	72.2
126.09940	3.5
143.10687	1.4
145.76892	0.5
161.93304	0.4
166.09758	1.0
169.08589	2.1
173.11726	0.6
177.94008	1.8
187.09679	100.0
188.10045	5.2
204.09402	0.5
218.11009	0.7
263.38486	0.5
311.22195	0.7
325.21695	1.7
343.21320	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	343.2125
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
52.81780	0.5
57.03318	1.9
59.01249	1.3
65.74826	0.5
69.03326	1.2
70.87333	0.4
71.01237	1.5
71.04883	1.4
71.05819	0.7
71.06169	1.1
73.40942	0.5
74.20192	0.4
80.02565	0.5
81.03301	1.0
83.04897	3.1
84.02035	1.4
85.02818	3.7
85.06461	1.1
85.51479	0.5
87.04386	1.3
95.04897	2.5
97.06464	4.4
99.04420	0.6
109.06461	2.9
110.03627	0.5
111.08017	0.8
120.46918	0.4
123.08077	1.4
125.09612	1.5
127.07535	0.6
127.33701	0.5
135.08037	0.8
137.09627	1.7
138.42381	0.5
141.09091	1.9
151.11154	0.8
153.12683	0.8
155.10690	1.0
163.11310	1.1
165.12767	0.8
167.10686	0.4
169.12250	1.0
171.10193	4.5
181.12285	5.0
185.11768	0.9
187.09663	1.3
191.10661	0.8
193.12312	0.6
197.11815	2.0
199.13321	1.0
201.11223	1.5
209.11769	2.6
211.13326	3.7
216.28925	0.5
227.12874	2.5
229.14404	4.9
235.13403	0.7
237.14984	3.1
245.13948	2.0
255.15964	1.3
261.18512	0.9
285.17041	0.7
286.13431	0.5
325.20203	2.0
343.21246	100.0
344.17267	0.7
344.21603	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	343.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01572	1.2
65.29435	1.0
66.80003	1.0
69.92225	4.4
70.07058	0.8
71.01266	5.6
75.87211	0.8
78.95783	3.6
82.67560	0.8
85.02831	1.3
89.02332	5.5
92.56100	0.8
93.03316	0.9
101.02317	2.2
107.03504	1.1
113.02354	1.3
114.84859	1.1
119.03405	1.5
119.04920	1.0
121.02837	1.6
121.34428	0.8
126.73103	0.8
130.08659	1.0
134.04645	6.0
201.93314	0.9
210.09773	1.0
343.14337	1.2
343.21173	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	343.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	23.6
65.03510	1.8
66.48537	1.5
68.99725	2.5
69.03329	2.6
69.27984	4.7
69.28385	14.3
71.01251	18.3
74.02370	2.1
83.01285	2.5
85.02837	8.5
87.00785	4.1
88.59660	1.7
89.02305	10.4
93.03337	17.8
95.01273	4.1
96.00804	2.2
97.02840	7.2
98.02409	1.7
101.02316	9.8
102.37821	1.7
107.04875	2.6
108.02052	6.3
109.02851	16.1
113.02327	6.9
117.03357	2.7
119.03373	5.8
119.04887	3.0
121.02866	6.9
123.04395	3.0
124.01563	5.5
125.02322	9.2
127.05121	2.1
130.08614	3.3
134.03667	2.5
135.04425	18.5
137.02377	3.8
145.02873	10.2
148.01569	2.7
163.03925	100.0
164.04343	3.0
166.17036	1.8
181.04990	6.3
212.10483	2.6
233.06601	1.8
242.19011	1.8
267.25360	1.7
343.10294	21.9
343.19742	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	343.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05803	0.6
52.39857	0.6
54.48250	0.7
59.01250	100.0
60.01593	1.5
64.18754	0.6
71.01258	6.1
71.58002	1.2
72.99171	0.8
73.02818	1.9
79.95610	0.8
85.02834	2.8
89.02320	5.4
101.02338	1.9
102.68176	0.8
113.02345	1.7
119.03434	1.7
121.02890	1.4
137.02325	0.8
142.62221	0.7
171.10156	1.3
179.05592	0.8
197.02716	1.6
215.63084	0.7
222.83389	0.7
262.71271	0.8
272.96463	0.9
275.45752	0.8
297.21829	0.7
325.31076	0.8
343.12259	2.0
343.16098	4.1
343.21121	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	343.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39536	1.9
54.05450	2.2
59.01248	59.5
60.57004	2.0
61.05300	2.1
69.49835	9.0
69.50268	8.4
71.01254	5.2
99.45416	2.4
113.02262	3.5
121.02843	100.0
158.22343	2.2
181.08685	6.7
219.36432	2.2
314.33450	2.2
338.18149	2.1
348.61539	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95926	2.8
57.68911	2.9
59.01249	100.0
62.06872	3.3
71.01253	25.6
71.37749	6.9
73.02816	22.0
76.19473	3.1
77.88015	2.9
78.95766	11.7
81.03357	3.9
83.01265	7.7
89.02316	8.5
89.15531	2.7
93.03339	12.3
96.95877	2.7
101.02332	23.7
101.11980	2.7
102.79436	2.9
111.04467	3.0
113.02336	6.7
116.07092	4.9
119.03408	3.7
119.04865	3.7
121.02847	83.5
125.14169	3.2
134.04642	27.4
139.03922	14.9
142.57484	2.7
151.03902	3.7
161.04535	4.2
204.43202	3.2
209.11769	9.4
227.12872	5.5
335.07715	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	343.1036
Annotation	Hygrophiloside
Peak:m/z	Relative Intensity
57.03324	3.0
59.01252	31.9
61.03035	2.7
69.03315	3.8
70.40673	3.1
70.64464	6.5
70.64841	5.5
71.01256	22.3
72.99165	4.6
73.98302	3.4
75.00733	4.1
78.95748	2.7
82.91961	2.9
85.02811	10.6
85.41198	2.8
87.00725	5.0
89.02312	13.7
93.03332	19.2
95.01268	3.9
97.02851	7.5
98.20404	4.1
98.71062	3.3
101.02332	12.8
108.02064	6.6
109.02842	11.7
113.02320	5.8
116.07050	5.4
117.03347	3.8
119.03403	10.8
121.02829	7.5
124.01534	4.5
125.02364	7.8
130.08636	13.7
135.04430	19.3
137.02328	8.5
145.02850	11.2
163.03937	100.0
164.04204	4.4
165.26176	3.4
179.82452	2.8
181.05008	9.7
185.16423	3.5
203.21756	3.0
238.84740	3.0
309.14471	5.1
343.10309	22.9
343.19965	10.6
358.13208	3.4
367.11606	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	343.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95926	2.8
57.68911	2.9
59.01249	100.0
62.06872	3.3
71.01253	25.6
71.37749	6.9
73.02816	22.0
76.19473	3.1
77.88015	2.9
78.95766	11.7
81.03357	3.9
83.01265	7.7
89.02316	8.5
89.15531	2.7
93.03339	12.3
96.95877	2.7
101.02332	23.7
101.11980	2.7
102.79436	2.9
111.04467	3.0
113.02336	6.7
116.07092	4.9
119.03408	3.7
119.04865	3.7
121.02847	83.5
125.14169	3.2
134.04642	27.4
139.03922	14.9
142.57484	2.7
151.03902	3.7
161.04535	4.2
204.43202	3.2
209.11769	9.4
227.12872	5.5
335.07715	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	343.1034
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
58.91594	0.5
59.01248	13.6
71.01273	0.5
71.56522	1.0
72.75934	0.6
88.03919	0.6
93.03355	0.6
109.02850	7.0
109.06460	3.7
113.03496	0.5
119.04907	4.3
121.02055	0.9
121.02843	9.2
122.03650	1.1
135.04414	6.0
135.74471	0.6
137.05986	31.8
138.06378	0.9
166.02715	0.7
180.30328	0.6
181.04994	100.0
182.05331	4.4
279.48529	0.6
343.10449	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	341.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.6
58.00462	1.5
59.01257	10.0
69.03304	0.5
71.00911	0.5
71.01262	6.7
71.04890	0.8
71.29605	1.2
72.33572	0.5
72.99170	0.5
73.02812	3.7
75.00754	0.8
79.63936	0.5
83.04890	1.6
84.02033	2.9
85.02816	1.2
89.02323	5.8
93.03351	0.5
95.04906	1.0
97.02812	0.6
97.06458	1.3
101.02327	1.9
107.04877	0.6
111.08034	0.6
112.16184	0.5
113.02329	1.8
113.09615	0.6
119.03364	1.6
123.08014	0.5
125.05952	0.9
125.09602	1.1
127.07503	0.9
135.08055	0.6
139.07544	0.8
143.03394	0.7
143.07030	2.1
151.00029	0.5
151.07520	0.7
154.09569	0.5
159.06548	0.6
161.04517	0.8
167.07098	0.5
171.10194	5.1
179.05536	1.9
181.12189	0.8
182.58202	0.5
183.13855	1.9
185.11781	1.3
201.11235	1.7
209.11819	1.1
211.13292	1.3
221.11563	0.6
223.13400	1.0
223.16992	1.2
227.12885	0.9
235.09781	1.3
235.13460	1.0
237.18495	1.9
239.12726	1.2
240.98314	0.5
246.62305	0.6
247.20711	1.4
249.14847	0.6
249.18690	0.5
251.20134	1.3
253.14375	0.7
253.21686	2.0
257.13901	1.4
263.16547	0.9
263.20093	2.1
265.14432	0.9
267.15887	1.3
273.18567	5.5
275.47763	0.5
279.19693	2.2
281.21207	3.9
287.16464	0.6
289.18051	2.0
291.19522	3.0
305.17465	1.7
309.10287	1.2
309.20685	5.5
323.18542	2.4
323.22336	1.7
341.11157	2.9
341.19730	7.4
341.23306	100.0
342.19928	0.7
342.23651	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	343.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21398	1.5
54.96797	1.6
56.36923	1.6
59.01253	100.0
66.34332	1.9
70.04704	9.3
72.08846	1.6
74.40260	1.9
92.02074	1.6
94.52761	1.6
94.56512	1.8
98.13420	2.0
102.30878	1.7
105.56477	1.6
117.42761	1.9
119.75225	2.3
121.31966	2.0
124.10319	1.8
157.03490	4.1
159.01382	7.0
172.09966	1.7
180.84183	1.7
201.02490	83.2
202.02670	5.1
215.30244	1.9
252.63446	1.9
266.52707	1.8
317.60382	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	341.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.6
59.01251	15.2
69.03323	8.7
69.65727	3.5
69.66138	2.4
71.01247	8.5
71.04887	1.6
72.99202	1.3
73.02817	1.5
75.00744	1.1
83.04903	2.5
84.02048	1.4
85.02836	1.4
89.02307	6.9
93.03361	1.2
95.04890	1.1
99.08028	7.0
101.02316	3.2
109.06447	1.2
110.03634	1.2
111.08027	2.2
113.02327	1.8
119.03352	1.7
121.03030	0.9
123.08064	1.3
125.09612	1.4
127.07542	1.4
129.09050	1.0
133.04936	2.2
135.08093	1.3
140.64610	0.9
141.09132	2.4
143.75000	0.9
153.09099	2.4
163.11115	1.5
165.12744	6.0
167.10721	1.0
169.08578	1.2
171.10239	2.0
179.05560	2.6
179.10669	1.6
179.14281	1.3
181.12279	5.0
191.10765	5.6
191.14319	2.5
193.12181	1.0
197.15446	1.7
207.13705	1.3
209.11798	16.3
211.13295	2.7
223.13342	3.6
224.13734	0.8
225.14915	2.5
235.13345	11.2
236.13815	1.1
237.18631	2.6
241.14467	4.5
253.14470	6.1
255.16089	1.2
281.17740	2.0
291.19589	1.5
299.18561	2.2
309.20712	2.6
323.18463	1.0
341.10803	2.1
341.23312	100.0
342.11243	1.0
342.23618	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	341.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.8
59.01252	4.6
64.61493	0.5
69.03341	2.1
70.63825	1.7
71.01250	2.8
79.95645	0.5
80.76018	0.5
83.04881	1.2
84.02052	1.2
89.02317	2.7
97.02834	0.6
97.06464	10.2
99.04389	0.6
101.02341	1.1
109.06542	0.5
113.02288	0.7
119.03408	0.6
119.04972	0.6
125.09599	1.2
137.09648	1.5
165.12738	0.9
169.24936	0.5
170.00381	0.8
171.10184	6.4
175.11177	1.2
179.05461	1.0
183.01140	11.4
183.13918	1.2
184.01923	2.6
185.11801	0.9
193.12271	15.2
194.12712	0.8
197.02710	40.1
197.15375	1.1
198.03316	3.9
199.02280	0.6
211.04333	1.5
211.13411	3.2
221.11768	1.2
225.12737	1.2
225.14919	18.2
226.15163	1.0
230.02513	2.4
243.16000	8.0
253.14410	1.3
262.59195	0.6
267.10776	0.7
291.19644	1.4
341.17911	100.0
341.23282	74.6
342.18231	12.7
342.23636	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	341.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61465	1.4
57.03320	6.9
58.00460	1.5
59.01250	38.6
69.03326	14.5
69.35872	12.8
70.49471	1.1
71.01254	21.2
71.04879	1.4
72.99187	3.4
78.95794	1.7
79.44231	1.2
81.03321	1.7
83.04897	3.5
85.02818	3.8
89.02316	21.7
93.03314	2.0
94.18324	1.3
95.04881	2.5
97.06470	1.9
99.08017	3.8
101.02323	11.5
109.06472	1.5
111.08032	4.1
113.02316	5.9
113.09606	11.1
119.03385	7.6
121.10096	4.3
127.07568	2.8
129.09087	5.5
135.08047	2.3
135.11700	2.4
139.11176	5.2
143.03438	2.8
144.97977	1.2
147.11711	19.3
153.09064	3.6
161.04466	2.2
163.11188	3.6
165.09149	1.6
165.12759	12.9
171.10109	1.9
173.09676	1.9
175.14853	3.3
179.05516	7.0
179.10698	12.9
181.12271	14.4
183.01114	4.1
191.10706	20.5
201.11346	1.5
209.11771	100.0
210.12111	6.3
211.13313	11.5
223.13472	1.7
229.19568	19.4
230.19894	1.6
239.12868	1.5
247.13330	1.3
247.20633	5.5
273.18668	1.9
279.19821	1.7
291.19644	22.8
309.20679	27.2
310.20959	2.6
323.18463	1.7
341.07303	1.4
341.10864	6.9
341.18582	8.2
341.23285	58.1
342.19962	1.6
342.23523	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	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27890	0.5
57.03318	0.6
59.01231	1.9
69.03328	2.6
69.50558	0.4
71.01264	0.8
71.35442	0.8
71.35796	0.7
82.20834	0.5
83.04898	1.4
84.02044	3.9
91.24932	0.5
97.02831	1.2
97.06470	12.7
99.04370	1.0
101.02348	0.5
101.62495	0.4
111.08005	0.6
121.10023	0.7
122.20304	0.5
125.09579	1.4
127.11198	0.6
136.37053	0.5
137.09543	1.0
149.13226	0.6
165.12827	0.5
165.59227	0.5
171.10178	11.5
172.10524	0.7
175.11151	0.9
183.01135	2.0
183.13922	1.1
184.01791	0.6
193.12283	15.9
194.12651	1.0
197.01010	0.8
197.02725	11.2
197.15363	0.6
198.03307	2.3
208.15233	0.4
211.04291	0.8
211.13393	3.4
221.11795	1.1
225.14920	22.3
226.15173	0.9
230.02493	1.1
243.16013	9.0
253.14430	1.0
291.19720	2.2
335.61325	0.5
341.17911	30.2
341.23270	100.0
342.18216	4.4
342.23605	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	341.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34027	2.1
57.03312	9.9
58.58658	2.3
59.01249	31.8
60.50571	2.1
61.74922	2.3
65.03838	27.7
69.03316	7.1
69.36544	21.5
71.01257	20.6
71.04900	12.7
73.02841	12.9
74.91231	2.1
79.05365	2.7
81.03336	15.1
82.41570	2.3
83.04897	38.5
84.05195	2.3
85.02813	6.7
87.04428	5.3
89.02311	21.2
93.03316	8.7
95.04902	15.9
97.02837	6.8
97.06455	9.6
99.04418	4.4
101.02298	5.8
106.04124	3.2
107.04903	3.1
109.06467	12.5
110.03601	4.9
111.04383	15.6
111.08069	5.5
113.02333	5.5
113.05968	6.9
119.03369	11.0
119.04910	3.5
121.02821	3.6
121.06477	3.9
122.74977	2.4
123.04412	4.6
123.08060	12.5
125.09622	40.9
127.11199	5.5
132.66565	2.6
135.08060	7.0
137.05969	4.2
137.09645	4.8
139.07556	13.7
141.09189	6.6
143.10661	5.2
143.61708	2.2
144.10979	6.3
147.04483	2.6
149.09593	3.5
151.07526	11.7
153.09079	3.6
155.10675	5.5
157.08650	3.7
165.09111	2.2
169.08606	7.3
171.10194	33.5
179.05528	5.5
185.11746	18.9
187.09770	12.3
195.10176	2.6
197.11784	3.7
199.09671	3.4
201.11253	50.8
203.14374	6.6
209.11778	46.4
210.12148	4.3
211.13307	5.5
213.11319	6.6
222.86508	2.9
223.13370	16.0
225.11247	3.6
232.65221	2.5
235.13367	63.1
236.13638	4.3
239.12820	3.1
247.13388	34.4
249.14989	3.4
253.14439	11.6
265.14410	45.8
266.14767	3.5
267.16174	3.8
283.15546	9.3
305.17569	16.6
323.18628	20.4
341.10858	8.4
341.19666	100.0
342.19983	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.197
Annotation	2,3-Dkpgf1alpha
Peak:m/z	Relative Intensity
56.17312	1.6
57.03316	7.9
59.01255	19.4
65.03857	2.1
66.18365	1.9
69.03329	15.2
69.49946	16.0
71.01240	7.1
71.04904	10.1
74.02325	7.4
80.02563	1.7
81.03333	14.2
83.04910	14.6
85.02819	3.2
87.04388	9.0
89.02313	7.2
93.03328	8.8
95.04913	11.8
97.02824	4.2
97.06462	3.5
99.04381	7.4
101.75964	1.9
109.06493	12.2
110.03593	3.4
111.04424	9.0
111.08012	2.2
111.22292	1.7
113.05929	2.1
119.03424	3.5
121.06483	2.6
123.08066	3.8
125.09611	6.4
127.07609	2.1
127.11183	2.3
135.08006	2.9
139.07541	5.5
139.11208	1.8
151.07535	6.1
151.11198	2.7
152.05519	1.7
153.09059	2.6
165.08957	2.2
165.12828	2.3
171.10210	43.1
183.10187	4.3
185.11803	10.2
189.12790	1.9
195.13756	3.2
197.11772	4.0
201.11325	9.1
203.14357	2.4
207.13902	2.2
209.11775	13.4
211.13440	4.3
213.11215	4.1
223.13330	16.9
227.12842	6.4
235.13428	10.2
237.14827	2.4
243.17505	2.6
247.13402	3.0
249.14812	2.2
253.14481	10.4
265.14392	5.4
269.13876	5.9
287.16479	4.7
297.18741	9.1
305.17606	11.3
323.18527	12.4
341.10831	2.9
341.19629	100.0
342.20117	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	341.1964
Annotation	2,3-Dkpgf1alpha
Peak:m/z	Relative Intensity
54.19539	0.8
55.01751	1.1
57.03323	6.9
58.00469	1.7
59.01249	20.5
64.01618	0.7
65.03825	2.3
68.19335	0.9
69.03323	5.6
69.55106	6.8
71.01254	13.9
71.04543	1.0
71.04893	6.8
73.02826	6.4
81.03336	5.3
83.01256	1.0
83.04891	13.4
84.02035	1.4
85.02818	6.7
85.06458	2.3
87.04384	3.0
89.02310	6.2
93.03333	4.5
95.04880	6.5
97.02847	3.3
97.06462	9.5
99.04405	1.7
99.08012	1.7
101.02308	3.0
101.05949	1.6
101.16524	0.8
106.04131	1.3
106.26687	0.8
107.04861	1.1
107.08591	0.8
107.79163	0.9
109.02830	1.4
109.06474	5.4
110.03615	1.5
111.04414	7.0
111.08031	2.4
113.02345	1.6
113.05954	3.5
113.09618	1.5
119.03396	3.1
121.06485	2.5
123.04441	1.2
123.08035	7.9
125.05965	3.7
125.09616	7.9
127.11167	3.6
129.05476	3.1
134.06026	2.6
135.04301	0.8
135.08017	2.5
136.05159	1.2
137.09634	5.5
139.07526	3.1
139.11148	1.2
141.05542	1.4
141.09128	1.5
143.07045	7.7
143.53691	0.9
149.09579	1.3
151.07591	4.1
151.11203	1.1
152.07060	1.5
153.09087	1.9
153.12807	1.0
155.07024	1.4
155.10681	2.8
157.08603	9.3
161.04448	1.1
163.11208	6.6
165.09106	2.3
165.12744	1.4
167.07101	1.4
169.08585	1.3
169.12219	0.9
171.10185	14.9
172.10583	0.8
177.12802	1.8
179.05545	2.2
181.08676	3.8
181.12250	1.1
185.11742	9.9
187.09688	1.2
191.10797	1.1
193.12242	2.0
195.10213	1.5
197.11737	2.6
199.09698	3.7
199.13335	3.3
201.11255	33.8
202.11525	1.0
203.14352	2.6
207.10210	2.9
209.11787	8.4
211.13351	1.3
213.11282	4.8
215.12796	2.1
217.12234	1.0
221.11823	2.6
221.15742	0.8
223.13336	11.2
225.11203	4.8
227.12801	11.1
229.12242	2.1
235.13350	3.0
239.12732	4.7
243.12357	9.5
243.17525	1.8
247.13351	9.7
253.14442	2.3
257.13962	1.8
265.14514	6.2
279.19824	0.9
287.16592	2.9
297.20633	1.0
305.17584	9.2
323.18555	11.5
324.18945	1.1
341.11005	4.6
341.19678	100.0
342.19849	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	341.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.9
59.01252	20.7
60.17363	0.7
62.68222	0.8
68.02406	2.5
70.17294	3.5
71.01252	16.0
73.02841	0.9
80.81126	0.7
85.02784	1.9
89.02316	15.1
97.06503	1.4
98.20273	2.0
99.08022	2.8
101.02337	5.2
101.90269	0.8
109.06491	1.2
113.02335	5.4
118.08994	0.8
119.03375	5.9
125.09535	0.9
127.11201	1.6
128.77797	0.7
131.03413	1.1
137.09602	3.1
141.09109	38.1
143.03416	1.7
145.08598	17.0
151.11195	3.3
155.10675	45.1
156.11018	1.1
161.04385	2.1
166.09775	1.5
169.12242	15.8
170.12555	1.2
171.08749	1.2
171.10188	17.6
172.63406	0.7
175.94293	2.2
179.05545	4.5
181.08728	1.2
197.43210	0.8
199.09688	12.1
213.11252	12.2
217.10753	100.0
218.11024	4.1
256.26361	0.9
309.48563	0.8
339.27097	0.9
341.11017	4.9
341.19174	2.8
341.23279	2.9
341.27011	3.9
342.18503	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26605	1.5
55.01775	3.6
57.03326	3.1
59.01250	11.9
61.92086	1.4
63.81990	1.4
69.03325	4.2
69.76485	7.3
71.01260	7.5
71.04891	19.0
73.02818	1.9
78.85543	1.5
81.03329	40.5
83.04892	36.0
83.05367	2.3
85.02824	3.0
89.02299	7.8
93.03326	21.4
93.03846	2.2
95.04904	5.3
97.02839	4.1
101.02316	3.7
107.04920	3.8
108.02091	1.5
109.02835	3.6
109.06484	9.6
110.03628	2.4
111.04402	77.4
112.04737	3.0
113.02316	3.1
117.42471	1.3
119.03361	1.7
121.06459	2.2
122.03595	2.2
123.04395	12.7
123.08036	4.0
125.09594	8.6
127.07529	2.5
127.11188	2.8
131.04990	1.8
137.02367	1.8
139.07562	8.0
151.07549	53.8
169.08601	30.7
170.08810	2.7
171.10178	100.0
172.10535	4.6
179.05501	3.3
187.09756	1.6
201.11252	23.3
202.11656	2.0
213.11264	21.8
251.12830	8.1
281.07166	4.5
285.84647	1.4
287.16458	10.2
289.47360	1.4
293.29877	1.3
305.17557	5.1
311.09357	3.4
323.09296	1.7
323.18622	8.0
341.11194	2.6
341.14581	3.7
341.19736	21.1
357.18173	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33076	0.4
56.07490	0.4
57.03320	0.9
59.01252	6.5
70.32378	1.1
71.01257	5.2
73.02782	0.5
86.64166	0.5
89.02321	6.3
93.97926	0.5
97.06457	1.0
98.19798	0.5
99.08027	12.2
101.02351	2.4
107.21408	0.5
113.02339	1.8
118.95994	0.5
119.03390	2.5
127.07568	1.4
138.65842	0.4
143.03362	1.2
145.08609	61.5
146.08954	1.4
151.11189	13.2
152.11563	0.6
161.04462	0.9
169.12254	96.8
170.12523	4.6
179.05563	2.6
195.10110	0.6
207.10179	0.6
208.13843	0.5
213.11270	100.0
214.11612	6.1
282.08725	0.5
341.11053	3.1
341.19754	7.9
341.23431	0.7
342.19965	1.0
349.78458	0.5
361.64316	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89817	1.4
57.03330	1.5
58.00461	2.7
59.01249	100.0
60.01563	1.7
65.10533	1.3
67.16153	1.6
69.03340	2.1
70.10804	6.9
71.01252	58.6
72.99175	3.4
73.02817	50.5
73.03236	1.8
75.48997	1.3
83.01246	16.6
85.02830	12.1
87.00735	3.7
89.02313	23.8
93.03327	1.6
94.06483	3.0
95.01263	2.2
97.17392	1.4
98.20274	3.0
99.00749	2.0
101.02319	48.7
104.04947	5.9
107.03654	6.4
113.02325	19.2
119.03429	9.2
119.04904	26.3
120.04432	1.8
122.06010	39.5
124.07547	1.8
125.02310	3.1
131.03389	3.8
132.04448	81.1
133.04762	2.3
134.06003	5.3
135.04448	1.7
137.02383	2.6
137.05978	3.2
143.03395	3.4
144.04442	1.7
148.03929	2.3
149.04405	2.6
150.05472	2.2
152.07074	81.8
153.07411	2.4
155.03258	2.1
160.03833	1.6
161.02357	2.2
161.04485	8.5
170.49858	1.5
176.03409	7.6
179.05511	8.0
243.27194	1.6
267.06247	1.6
269.12900	4.3
281.10187	5.1
297.12405	23.1
298.12949	1.8
299.11319	3.0
309.84921	1.5
313.11951	5.8
341.11353	80.5
341.19739	2.6
342.11520	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	341.1239
Annotation	Bidenoside D
Peak:m/z	Relative Intensity
55.01749	1.9
55.97601	0.9
57.03324	1.6
58.00474	2.2
59.01252	100.0
69.03330	2.4
71.01254	63.6
71.57270	1.2
72.01583	1.3
72.99177	3.4
73.02818	68.4
75.00749	1.3
78.95773	3.1
79.95611	2.4
80.96400	6.0
81.02451	0.9
81.03348	1.1
83.01255	20.1
85.02812	5.5
87.00766	3.1
89.02311	17.5
95.01251	1.3
96.04037	1.2
97.02821	1.5
101.02325	51.3
101.02998	2.5
102.02693	1.2
107.04896	1.9
111.00713	1.1
112.93633	1.5
113.02328	14.6
119.03443	5.6
119.04907	20.8
121.02830	1.0
125.02383	2.6
131.03394	3.6
135.04393	1.4
137.02357	1.2
137.05971	3.3
143.03407	4.7
147.04404	1.3
148.52463	1.1
149.02350	1.5
149.04456	1.8
152.03474	1.2
155.03407	1.9
161.04457	7.4
179.05484	4.9
215.07056	3.3
259.04291	1.5
299.11401	1.5
341.01630	4.4
341.11118	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	341.0874
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
50.00145	1.0
51.34523	1.0
54.16905	1.1
57.03306	2.5
59.01254	8.5
71.01247	4.6
71.57385	1.5
75.00742	3.5
78.95776	3.0
87.00732	1.3
89.02323	11.4
91.45895	1.1
101.02300	4.5
105.56780	1.0
107.04926	2.5
113.02319	1.9
114.00564	1.0
119.03378	2.8
121.02840	1.9
134.03596	4.0
135.04413	100.0
136.04733	3.2
137.02347	2.0
161.02286	2.0
161.04431	2.0
179.03421	78.3
179.05156	2.7
179.06767	7.0
180.03760	3.8
200.95979	1.1
207.41870	1.1
341.08463	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	341.1088
Annotation	alpha,alpha-Trehalose
Peak:m/z	Relative Intensity
50.10846	1.1
51.31150	1.1
57.03320	2.1
58.00461	4.6
59.01252	100.0
61.55719	1.3
69.78431	7.5
71.01255	67.4
72.99174	3.4
73.02813	2.2
75.52302	1.0
78.95761	4.9
83.01258	1.6
85.02827	8.6
87.00755	3.9
89.02320	77.9
90.02608	1.4
95.01255	3.7
96.96848	8.1
98.19888	2.1
101.02322	34.3
113.02330	26.5
113.03505	1.5
119.03393	25.2
131.03406	4.0
135.04414	3.3
143.03409	6.9
143.81119	1.2
149.04449	3.2
161.04445	7.3
179.03430	3.2
179.05528	25.6
287.59381	1.2
341.10913	28.7
342.11008	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	341.0874
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
59.01246	2.0
69.20824	0.6
70.05581	1.8
70.05996	1.1
71.01253	1.8
75.00735	1.3
82.29170	0.5
83.22722	0.5
88.81383	0.5
89.02330	1.6
91.11427	0.5
100.19844	0.5
101.02354	0.6
107.04926	0.9
110.39259	0.6
119.03384	0.6
130.89163	0.6
133.04903	0.7
134.03616	2.3
135.04413	83.8
136.04752	2.4
137.02327	1.3
161.02344	1.9
161.04512	0.6
179.03416	100.0
180.03769	3.9
341.08655	13.4
342.08997	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0875
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01251	6.7
70.90714	1.4
71.01263	4.2
71.61289	0.5
73.96269	0.5
82.32574	0.4
85.02807	0.6
89.02308	3.8
97.70107	0.5
99.03890	0.5
101.02329	1.5
107.21307	0.5
109.48065	0.5
113.02347	1.4
116.38065	0.5
119.03339	1.0
132.02016	0.9
133.02849	29.6
134.03230	0.9
135.04401	9.3
155.57529	0.5
161.02345	100.0
162.02678	3.9
163.37717	0.5
177.05405	0.9
179.03423	15.0
179.05280	0.9
179.05591	0.9
180.03683	1.0
203.03513	2.6
221.04544	0.8
222.78986	0.6
251.05553	1.2
281.06650	1.7
341.08627	7.0
342.09164	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	3.9
57.03321	5.8
59.01254	28.9
69.03288	2.6
69.31310	13.3
69.31734	7.4
71.01253	24.0
72.99177	1.9
74.02345	87.2
78.95752	4.0
83.04908	5.9
85.02812	2.9
85.06468	2.4
86.02336	2.3
86.05988	3.0
87.00748	3.2
89.02325	31.7
95.01266	2.9
96.04399	2.6
96.95898	3.1
97.06497	2.5
98.05970	4.3
98.19849	4.8
100.00285	4.0
101.02337	11.0
104.03416	24.2
110.05991	2.4
112.07565	15.8
113.02337	10.1
114.05525	2.3
119.03390	10.7
123.03135	3.6
123.08060	11.4
124.03924	5.5
124.07586	16.5
125.02380	2.5
135.08052	2.4
136.07588	3.3
139.68968	2.3
142.04980	3.9
143.03400	3.2
152.99504	3.2
161.04445	4.8
164.10820	3.1
166.05063	2.1
171.10129	4.0
172.10533	9.2
179.05569	9.0
220.81860	2.3
226.10814	6.9
233.31400	2.5
281.08188	11.4
292.15701	12.3
310.16605	70.8
311.16901	3.7
325.89893	2.5
340.17661	100.0
340.21829	4.7
341.10660	19.0
341.18167	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2541
Annotation	ent-13E-Labdene-2alpha,3alpha,8alpha,15-tetrol
Peak:m/z	Relative Intensity
54.57699	0.3
57.03306	0.5
59.01247	1.4
59.90587	0.3
68.02412	2.9
70.45129	1.1
70.45467	0.4
71.01244	0.4
79.95616	1.3
80.96386	0.8
98.20495	0.5
99.08032	2.0
104.67091	0.4
106.17415	0.3
111.00797	0.4
111.08057	0.6
113.09582	1.9
114.91843	0.4
129.09094	3.7
179.14336	0.9
181.15845	0.6
183.01169	1.7
191.14406	0.4
197.02695	9.0
197.15379	1.4
198.03273	0.8
199.02226	0.6
209.15454	3.2
211.04247	1.4
211.16908	1.0
221.15451	1.2
225.05772	0.7
225.14906	9.3
226.15154	0.4
227.16504	3.2
230.02536	1.1
239.07475	3.5
239.16478	12.7
240.16638	0.7
253.08971	5.3
254.09244	0.8
267.10599	3.6
268.11118	0.5
272.06970	0.5
281.12122	2.3
286.08820	0.8
295.13815	2.4
303.23358	0.6
309.15289	2.9
314.11819	0.5
321.24347	8.9
322.24442	0.7
323.16873	1.6
324.17117	0.4
324.21039	0.3
328.13449	0.5
339.19904	100.0
339.25302	42.9
340.20215	11.7
340.25674	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	339.265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92134	1.8
58.02849	98.9
58.68361	1.7
59.01234	3.3
61.45807	1.6
70.02853	10.0
70.17648	3.6
70.18028	5.4
71.01245	2.5
72.00778	12.4
74.33819	2.0
81.02069	6.2
81.03320	2.6
86.02355	3.1
96.00791	45.0
114.01874	4.1
137.32130	1.7
176.44054	1.7
195.71021	1.8
224.23840	2.1
251.23795	5.7
252.26723	4.0
253.30368	1.9
260.23737	4.0
278.24884	48.6
279.24850	6.9
295.27493	20.3
296.26044	6.0
321.25488	14.0
322.23822	9.5
339.19901	6.0
339.26520	100.0
340.26816	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14066	1.4
58.02852	100.0
66.12356	1.5
71.01225	1.7
71.29230	3.7
72.00785	2.5
79.43359	1.4
80.14240	1.3
88.83368	1.6
95.06589	1.5
96.00815	3.4
116.34043	1.4
121.86180	1.5
139.11163	1.7
183.01154	1.8
198.70465	1.5
212.67691	1.5
221.15399	2.0
223.94992	1.4
252.26958	4.3
278.24905	5.0
295.27539	16.0
296.25793	9.5
321.24899	2.0
339.20242	1.7
339.26315	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	339.2172
Annotation	Plakorstatin 1
Peak:m/z	Relative Intensity
59.01245	2.3
60.67027	0.5
69.03327	1.5
71.01250	0.9
71.04895	16.3
71.05297	0.8
72.99191	2.0
74.02361	2.5
74.35674	0.6
78.61296	0.5
78.95786	1.4
83.04907	1.2
84.00308	0.5
95.04871	0.7
97.06480	4.4
101.02345	0.5
107.04924	0.5
107.08546	0.8
109.06470	0.9
111.08048	1.5
118.11455	0.5
119.08599	0.5
121.10161	0.6
123.08051	2.1
125.09607	0.9
130.05005	1.4
133.10136	1.9
147.08167	0.5
147.11673	2.0
149.13268	1.1
152.99507	1.3
167.74773	0.5
187.14781	0.9
203.14345	2.4
205.15967	1.7
220.14799	0.6
221.15414	3.5
230.14955	0.7
235.13345	0.7
243.17560	1.6
247.13510	0.7
251.16365	0.5
260.17682	0.6
261.18591	6.1
262.18839	0.8
265.14432	1.6
277.14542	0.5
277.17990	0.7
279.15933	0.8
281.17682	1.8
296.23065	0.6
307.19113	5.9
321.20554	2.9
329.21158	0.5
339.21768	100.0
340.22113	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	339.2328
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
51.34525	0.6
52.10402	0.6
55.68562	0.6
70.07607	2.5
93.12018	0.6
121.21375	0.7
158.81343	0.7
163.11208	100.0
164.11557	3.9
183.01196	2.3
267.81409	0.7
339.19952	3.8
339.23331	38.4
340.23795	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	339.2175
Annotation	Plakorstatin 1
Peak:m/z	Relative Intensity
57.03320	8.3
59.01245	9.7
65.45737	2.3
67.01747	4.1
69.03323	19.5
71.04893	26.5
71.50138	3.8
72.99184	2.2
73.81075	1.9
78.95778	4.5
81.03326	4.6
83.04913	13.1
85.02792	2.9
87.04398	14.7
95.04913	5.7
97.02824	5.1
97.06496	7.3
101.05982	3.4
106.04135	3.6
107.04937	2.6
107.08520	3.8
109.06489	5.5
111.08057	3.1
122.19836	2.2
122.89319	3.9
123.08063	3.4
123.26724	2.3
125.09617	6.5
127.07508	2.3
133.10094	5.5
135.08049	3.2
137.09639	2.7
147.11665	4.0
149.09634	8.2
149.13232	3.7
151.11185	25.4
152.99474	7.8
165.24211	2.2
171.10205	7.9
173.62077	2.4
177.12773	7.1
181.12250	11.0
182.71776	2.1
183.01158	14.6
185.11787	2.5
187.14944	3.6
193.12265	16.6
195.13864	2.5
203.10736	3.4
203.14362	4.9
205.12196	3.7
205.15967	3.9
207.13846	2.4
209.11740	2.9
213.14886	4.1
219.13899	11.6
221.11707	3.3
221.15364	5.4
225.14902	24.1
231.13792	12.8
237.14891	9.9
239.16489	3.3
241.14413	3.3
243.17436	2.7
247.13397	11.9
249.14949	31.8
251.16536	14.3
261.18683	2.3
263.16589	4.9
265.14420	6.6
281.17548	29.9
282.17889	3.9
289.18106	16.3
307.19092	27.9
321.17349	3.6
321.20593	15.9
339.16510	23.7
339.21750	100.0
340.16931	2.7
340.22083	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	339.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	19.0
59.01247	28.8
61.61701	5.5
68.99350	7.0
68.99682	28.8
69.03334	19.9
69.38321	54.7
71.01242	6.9
71.04897	43.2
73.02818	27.0
78.91237	5.1
78.95760	6.7
79.95615	5.3
83.04898	17.3
85.02828	8.2
87.04407	7.9
95.04900	7.8
95.05966	5.1
97.06490	16.6
101.05981	12.1
106.04148	6.5
111.04411	27.7
111.08060	7.3
123.07996	6.3
125.05945	5.6
125.09566	6.6
137.06064	6.0
157.05513	5.7
171.10176	14.7
177.12773	46.9
179.14330	23.3
183.01128	51.7
199.25854	5.5
203.14232	6.4
205.12367	8.4
205.15918	23.1
207.13853	41.9
219.13881	14.2
221.15427	32.6
231.13901	12.1
233.11530	13.5
239.16472	23.2
247.13374	6.6
249.14900	79.9
251.16496	66.6
252.16898	8.7
253.18111	24.0
263.16495	10.3
265.14200	8.7
281.17590	100.0
289.18127	24.2
295.22906	7.0
296.23203	7.1
303.19598	13.4
307.19086	14.6
321.20688	16.7
339.16333	76.6
339.21619	68.5
340.16510	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	339.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	22.5
59.01242	31.1
68.99702	20.3
69.03323	26.2
69.55080	61.8
71.01254	12.1
71.04904	50.6
71.05232	9.3
73.02787	7.7
73.25744	6.8
75.47952	8.2
78.95788	12.5
83.04876	11.9
87.04381	13.0
97.06445	16.8
109.06451	8.4
111.04390	24.2
123.08000	8.0
125.09612	27.3
139.11212	11.9
157.07570	10.6
171.10228	8.4
172.09082	7.5
177.12778	52.4
179.14352	21.3
183.01141	68.5
187.09653	35.5
199.09848	8.1
201.11227	11.7
205.12268	10.4
205.16025	12.6
207.13860	21.7
211.13295	19.4
219.13910	13.0
221.15350	18.3
227.12888	11.6
231.13834	19.1
237.14867	8.2
249.15027	69.8
251.16492	77.3
253.18040	20.4
263.16537	13.0
277.21686	12.4
281.17612	85.1
289.17935	20.9
295.20575	11.9
321.20602	29.4
339.16309	96.6
339.22034	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	339.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.4
66.52815	0.3
69.27158	0.6
69.27557	2.5
79.95641	0.8
98.20583	0.4
109.12601	0.2
170.00258	0.6
183.01132	8.8
184.01947	1.4
197.02711	41.0
198.03450	6.7
211.04279	2.0
216.00850	0.5
230.02513	3.8
239.07425	0.4
253.09064	0.6
267.10757	0.3
281.12244	0.3
309.55927	0.3
339.19977	100.0
340.20322	10.2
340.23593	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2173
Annotation	3alpha-Hydroxy-3,5-dihydromonacolin L acid
Peak:m/z	Relative Intensity
57.03309	0.3
59.01249	1.5
60.90492	0.3
71.01263	0.7
71.58324	0.3
73.02814	1.5
79.95608	0.5
82.43857	0.3
83.04900	0.8
85.02814	0.5
87.04399	0.4
93.03298	0.4
94.04117	1.3
95.04913	1.3
97.06471	2.1
99.08033	0.4
101.05969	4.1
109.06461	0.9
111.00743	0.4
111.04416	0.4
113.09599	0.3
123.08047	0.5
124.05190	0.4
127.07496	0.7
127.11218	0.8
135.04388	0.9
135.08009	0.4
136.05244	0.4
137.06075	0.3
137.09615	0.9
139.07498	0.5
139.11171	1.3
143.07034	0.3
147.04390	0.4
149.06000	0.3
150.06700	0.4
155.10684	5.3
156.04164	1.1
156.10950	0.3
158.73499	0.3
163.11191	0.9
167.10751	0.5
171.10228	0.8
178.09914	7.0
178.13478	0.6
179.10603	0.6
183.01140	6.7
183.10165	0.5
184.01570	0.8
191.10710	0.3
191.14365	2.3
193.15930	2.3
196.98981	0.4
197.02708	1.3
209.15411	1.5
213.11270	0.6
213.14960	0.6
217.10774	0.4
219.10100	0.4
219.13870	2.4
223.13356	0.4
225.14844	0.5
235.13365	10.5
236.13695	0.8
237.14922	100.0
238.15269	6.5
253.14413	9.0
253.17464	0.6
253.18115	0.6
254.14702	0.5
259.20633	0.5
264.13577	1.2
265.18069	0.9
277.21811	0.4
293.21191	1.0
295.22760	1.2
303.19672	3.8
321.20688	87.1
322.21060	6.9
339.08783	0.6
339.16330	11.5
339.21683	9.2
339.25354	0.9
340.16629	1.1
340.21994	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2175
Annotation	Plakorstatin 1
Peak:m/z	Relative Intensity
53.29467	0.9
57.03325	2.3
59.01250	9.9
69.03318	1.0
69.70298	7.0
71.01251	2.0
71.04887	12.7
72.99194	1.8
78.95790	1.4
83.04893	1.9
91.03919	1.4
95.04881	1.1
97.06481	7.6
98.19810	1.8
106.04089	1.1
107.04926	0.9
107.08579	1.0
109.06473	2.7
111.04374	1.4
111.08048	1.2
123.08023	3.4
133.10117	2.1
137.09595	1.1
147.11661	3.2
149.13216	1.5
177.16449	1.2
199.46574	1.0
203.14311	17.7
221.15421	100.0
222.15834	7.0
229.12259	1.6
235.13379	1.2
243.17422	2.3
247.13383	16.4
261.18509	7.7
265.14426	30.6
266.14679	2.9
279.16144	1.8
279.19418	1.3
281.17444	1.9
307.19092	3.9
321.20782	3.9
322.04071	1.0
339.17978	23.2
339.21725	88.6
340.18341	1.8
340.22086	8.5
343.11865	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
61.51297	0.2
69.52312	1.5
72.53472	0.3
77.01145	0.2
79.95220	0.2
79.95623	0.9
81.83145	0.2
98.19818	0.5
141.23332	0.3
170.00375	0.5
183.01128	13.5
184.01854	2.2
197.02698	30.5
198.03444	4.7
199.03748	0.3
211.04266	1.3
212.04686	0.4
216.00931	0.8
225.05847	0.3
230.02457	4.0
239.07512	0.6
253.08971	0.6
267.10635	0.4
339.19949	100.0
340.20282	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	339.1996
Annotation	NORETHINDRONE ACETATE
Peak:m/z	Relative Intensity
51.50050	0.2
60.28252	0.2
64.90017	0.2
66.89284	0.2
70.91833	0.3
70.92150	0.4
79.95619	0.9
80.96407	0.3
86.69289	0.2
119.04896	0.3
128.99159	0.7
170.00319	0.7
182.99454	0.5
183.01129	16.0
184.01892	1.9
197.02699	29.6
197.94968	0.2
198.03448	4.8
199.03616	0.2
201.10252	0.2
211.04300	1.2
212.05023	0.3
216.00876	0.8
222.07620	0.2
225.05792	0.4
230.02486	2.5
239.07373	0.5
253.08908	0.2
267.10739	0.4
315.52042	0.2
339.19958	100.0
340.20291	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	339.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
63.26769	0.3
71.07259	0.7
79.95584	1.9
80.60270	0.3
85.88853	0.2
115.19831	0.3
119.04914	1.8
163.11192	2.9
170.00336	1.6
183.01141	60.5
184.01584	2.8
197.02708	3.0
198.03421	0.4
212.96175	0.2
215.93336	0.3
216.00903	0.9
225.05911	0.5
239.07458	1.2
253.08737	0.3
275.23694	0.4
281.12082	0.3
295.70462	0.3
295.74197	0.3
309.08112	0.3
339.19974	100.0
340.20328	9.0
340.24301	0.6
356.03885	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62274	0.2
61.04745	0.2
63.63762	0.2
71.06117	0.3
71.06457	0.5
78.13046	0.2
79.95637	0.8
86.89143	0.2
99.30646	0.3
133.06491	0.5
141.23155	0.2
170.00392	0.5
178.50111	0.2
183.01140	9.8
184.01848	1.1
184.64378	0.2
197.02705	34.2
198.03461	6.4
211.04308	1.6
212.04967	0.3
216.01048	0.3
225.05869	0.3
230.02486	4.5
242.10205	0.3
244.04164	0.3
267.10544	0.5
295.13724	0.3
339.19971	100.0
340.20270	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	339.1996
Annotation	NORETHINDRONE ACETATE
Peak:m/z	Relative Intensity
70.92036	0.6
76.55599	0.2
79.95618	0.5
121.90900	0.2
158.09393	0.2
162.49046	0.2
167.90729	0.2
170.00334	0.3
183.01135	6.3
184.01929	1.1
197.02702	27.1
198.03450	5.2
202.01425	0.2
211.04253	1.3
216.00870	0.4
225.05836	0.3
230.02481	3.6
239.07472	0.4
253.09004	0.3
267.10580	0.4
279.92688	0.2
339.19965	100.0
340.20303	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	339.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43374	0.5
56.83487	0.5
58.45706	0.5
59.01245	7.1
69.34609	5.5
71.01247	0.9
71.04895	0.8
72.99165	0.5
81.03362	0.7
83.04896	1.6
85.02798	0.7
89.02343	0.6
91.03882	1.0
93.03343	0.6
97.06453	0.8
98.02351	0.7
98.20547	1.2
101.55952	0.7
141.09113	0.6
167.07066	0.7
171.10165	0.8
177.16418	1.3
185.11797	0.9
201.11133	0.6
203.14297	3.4
215.12918	0.7
219.13829	1.0
221.15419	100.0
222.15749	8.3
223.50410	0.6
229.12312	0.5
247.13322	3.8
265.14389	4.7
270.25864	0.6
286.68436	0.6
289.17975	0.7
303.16211	1.0
321.16922	0.9
321.20651	0.7
325.93839	0.7
339.18118	5.4
339.21695	1.2
340.18646	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61133	6.2
57.03310	17.1
59.01247	66.2
69.03324	13.2
69.86680	36.7
71.01237	19.1
71.04871	17.8
73.02802	13.6
81.03336	52.0
83.04904	40.6
85.02818	26.1
87.00748	8.1
87.04372	6.6
93.03351	17.1
95.01229	9.6
95.04891	26.5
96.95857	6.2
97.02824	15.4
97.06471	28.7
98.19817	7.8
99.04397	79.6
101.02344	7.1
105.06951	7.6
107.04912	8.9
108.02064	17.6
109.02791	8.5
109.06477	18.3
111.04374	15.5
113.05952	7.7
121.02828	21.6
121.06446	14.2
122.03607	17.9
123.04375	17.1
123.08020	19.9
125.05975	9.9
125.09604	79.1
127.07540	6.7
133.06473	13.7
135.04446	9.5
136.05130	9.3
136.07539	19.5
137.05971	27.1
139.07526	10.1
139.11194	7.7
149.05981	31.1
151.07544	12.6
165.09129	6.7
167.07048	21.4
167.10646	14.6
171.10176	73.5
177.12798	6.8
178.06262	13.7
183.01094	11.9
185.11714	10.1
187.09702	59.0
190.05014	22.4
191.14362	10.4
193.12224	22.0
197.02838	9.4
199.09686	19.3
199.13297	16.0
203.10753	7.1
209.11687	10.8
213.11206	18.1
215.12907	8.4
219.10161	24.7
223.13301	8.3
225.11250	11.3
235.13428	59.1
237.11243	28.2
239.12860	10.0
247.13339	14.9
249.11363	14.9
250.11948	13.2
251.07436	7.3
253.14474	72.7
263.12924	13.7
265.14288	14.2
273.03534	8.8
277.18137	8.6
285.14902	18.2
303.04562	35.6
303.15994	76.8
321.17123	100.0
339.12653	12.7
339.16122	89.4
339.21747	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	339.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.7
59.01254	7.9
69.03323	1.5
70.69830	0.9
70.70171	1.7
71.04896	6.1
83.04894	1.9
91.03889	2.1
91.75581	0.7
97.06458	3.4
106.04110	1.2
107.04913	1.2
109.06465	1.4
111.04397	1.5
111.08040	0.7
123.08012	1.2
125.09557	0.9
147.11707	0.7
149.13205	1.1
156.45303	0.9
161.09566	0.7
175.14740	0.8
177.16397	2.2
203.14362	17.2
204.14616	0.9
219.13884	1.2
221.15424	100.0
222.15709	6.7
229.12302	1.6
247.13387	15.9
248.13684	1.4
254.52042	0.8
259.69269	0.8
261.18570	3.0
265.14432	31.9
265.17303	1.6
266.14810	2.6
279.19504	1.0
307.19208	2.2
321.20670	3.2
339.18036	20.8
339.21790	40.9
340.18448	3.4
340.22134	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	339.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.8
59.01252	8.5
64.38749	0.6
70.32607	1.2
70.33007	1.3
71.01250	1.0
71.04875	3.4
81.03323	0.8
83.04888	2.7
83.05363	0.6
89.02322	0.9
90.77749	0.7
91.03884	1.9
95.04906	1.1
97.06470	3.5
98.19911	0.8
106.04134	0.7
107.04925	1.3
111.08047	1.7
121.06488	0.6
123.08075	0.9
125.09624	1.0
133.10101	1.0
137.09541	1.2
147.11673	1.8
149.13254	0.6
157.54846	0.7
171.10265	0.8
177.16484	1.2
201.12747	1.0
203.14360	17.1
205.12407	0.6
219.13872	1.4
221.15424	100.0
222.15767	7.2
229.12309	1.3
247.13380	17.0
248.13678	0.9
261.18698	1.6
265.14441	31.8
266.14880	2.5
279.15970	0.9
321.20682	1.8
339.18060	21.3
339.21802	31.9
340.18387	1.9
340.22092	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	339.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.1
61.98700	2.8
69.54869	3.8
69.55284	8.4
71.01266	1.5
73.02818	100.0
90.80716	1.3
92.58590	1.5
97.06473	4.4
103.66322	1.4
123.08005	3.5
125.09616	25.1
125.84946	1.3
125.85987	1.6
130.78564	1.6
145.48480	1.6
153.40315	1.6
154.22411	1.6
183.01083	17.6
187.09685	31.6
187.35915	1.5
221.15416	60.7
222.15707	3.2
249.14900	1.8
250.66447	1.8
265.14423	1.9
281.17468	1.6
339.16260	23.8
340.16492	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	339.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.1
59.01252	100.0
60.01567	1.3
62.96857	0.8
65.03838	7.3
71.01252	4.2
71.04871	1.3
71.56859	1.2
73.02824	1.9
73.24513	0.9
77.54969	0.9
78.83778	1.0
78.95780	1.1
85.02837	2.0
93.03350	1.9
99.00777	0.9
101.02306	4.2
109.06509	1.0
113.02330	1.6
121.02830	1.1
121.06506	1.3
125.09595	1.5
130.08653	2.9
149.05891	1.0
161.04404	1.1
171.10179	2.1
203.14322	1.2
219.13831	1.7
228.31824	1.0
237.14938	2.0
247.13350	4.3
265.14450	6.2
297.13275	2.9
309.07669	1.4
321.16983	2.6
339.08759	6.7
339.18060	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	339.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01279	1.4
63.65821	0.4
65.61497	0.5
69.57786	3.7
72.97450	0.4
78.95811	2.0
85.02847	0.8
90.84712	0.5
95.42667	0.6
96.95940	1.1
98.19877	0.9
102.71319	0.5
108.02097	0.8
110.98450	1.5
111.00773	0.7
111.01904	0.8
111.45544	0.4
117.03362	0.6
123.04441	0.7
127.11204	0.5
145.02834	3.6
146.03651	0.5
151.31561	0.5
163.03967	1.7
167.01093	2.0
171.10178	18.1
171.11627	1.0
172.10541	0.8
172.98248	0.6
174.97972	0.6
179.07063	1.4
179.08546	0.7
185.02339	0.9
191.08557	1.3
193.06532	1.2
195.08131	1.0
196.08777	0.5
203.07138	1.0
205.06400	0.7
207.08102	2.8
209.11913	0.7
217.06561	1.9
218.07280	0.7
219.08170	2.3
220.05304	1.0
221.06036	2.2
223.07614	1.7
224.04767	0.6
224.08035	0.5
225.05537	1.2
225.09146	1.3
227.07082	0.5
233.06029	2.2
234.06798	2.0
235.07596	7.2
236.08154	0.8
237.05504	1.0
237.09207	1.6
239.07089	2.3
245.06139	1.6
246.06828	1.7
247.07674	2.8
248.04761	0.8
251.07166	1.1
252.07901	1.4
253.05151	0.6
253.06067	0.6
253.08669	5.1
261.05832	0.6
262.06323	2.1
263.07117	17.2
264.07751	2.0
265.08411	1.1
268.11099	2.9
273.05573	0.8
274.06415	1.1
275.07098	2.8
276.07800	1.1
279.06778	0.9
280.07416	2.8
281.08185	28.9
282.08475	2.2
291.06635	7.8
292.07330	3.6
293.05087	0.9
293.08191	8.1
294.08960	2.9
295.09729	2.2
296.10571	4.5
306.08945	0.6
307.09674	3.0
308.07187	1.0
308.10519	6.3
309.07690	100.0
310.07996	8.0
323.09247	24.6
324.10010	59.1
325.10419	4.1
339.12341	61.6
340.12671	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14908	0.3
55.38215	0.3
59.01248	2.0
69.37671	0.9
69.38094	2.1
72.99166	0.3
78.95779	4.1
87.08753	0.3
95.16515	0.3
105.11031	0.4
109.97754	0.3
110.98416	2.8
111.00751	0.8
125.09608	1.1
127.11196	1.9
129.56013	0.3
147.46489	0.3
153.09070	0.4
161.81000	0.3
167.01054	1.3
170.12485	0.4
171.10175	100.0
172.10515	4.1
177.01773	0.3
185.02116	2.8
191.88290	0.3
207.10921	0.3
309.07660	0.6
316.21707	0.4
333.81436	0.4
339.12189	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	338.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85273	0.5
57.03341	1.0
58.81868	0.6
59.01247	0.8
65.03809	0.5
66.03370	0.6
71.57900	0.7
72.04410	1.5
74.02348	100.0
75.02684	1.6
78.46005	0.6
78.95785	1.2
81.03313	1.0
83.04890	3.4
84.04469	0.9
93.03352	1.3
94.04995	0.6
95.03655	1.4
95.04905	1.2
96.04445	1.5
97.02788	0.6
97.06499	0.6
100.00283	2.0
104.03414	1.2
105.06978	1.3
106.58444	0.6
110.06004	5.3
112.07569	1.7
118.04993	2.1
121.06457	1.1
123.03154	7.4
123.04068	0.6
123.04456	0.8
123.08050	17.5
124.03990	3.2
124.04687	0.6
124.08302	0.7
125.09600	0.8
130.08667	0.6
134.03619	0.7
135.11674	1.5
136.07619	0.8
152.10730	1.8
162.09207	1.0
169.08281	0.6
175.14861	1.4
180.10165	3.0
193.62209	0.5
196.09772	3.3
197.39917	0.6
203.69408	0.6
206.11781	1.0
223.13365	1.2
232.16997	0.6
265.14447	2.4
276.16071	14.8
277.16064	0.8
294.17114	80.2
295.17432	7.1
303.16055	0.8
308.18652	0.9
321.16983	1.4
338.07510	2.0
338.19791	27.5
339.20129	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	339.0872
Annotation	Piperphilippinin IV
Peak:m/z	Relative Intensity
53.05530	1.6
57.31017	1.7
59.01256	9.7
61.62476	1.4
71.01258	3.4
71.58436	2.4
72.99162	1.7
73.02829	1.9
79.53951	1.3
85.02832	1.5
97.06448	1.9
113.02344	1.6
119.04889	2.6
121.02847	48.0
125.09606	2.0
147.04419	61.3
148.04839	2.1
166.03993	1.7
170.00281	1.8
171.10190	3.7
183.01146	50.9
184.01692	3.2
187.11189	1.9
190.04958	1.7
193.10165	37.3
194.10506	1.7
197.02699	14.5
206.07341	2.3
207.08049	4.3
207.11694	8.1
211.00569	2.3
211.73221	1.5
216.00868	2.4
217.10730	3.0
221.09627	3.5
223.07648	7.4
223.11337	1.6
237.14946	9.7
239.07584	2.1
241.14374	8.7
251.07184	9.8
251.10742	16.5
254.05844	2.4
281.12338	1.4
295.09741	59.9
296.10159	4.2
321.20657	6.8
339.08746	62.8
339.16281	100.0
339.20453	5.2
339.25269	3.2
340.08908	6.0
340.12915	1.6
340.16614	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	338.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03296	1.4
59.01252	2.2
71.04905	1.3
71.57593	1.2
71.57978	1.0
74.02347	59.9
78.95779	1.8
81.03365	1.0
83.04913	5.2
93.03336	9.1
93.11477	1.2
95.04932	1.8
96.04427	1.9
97.06461	1.2
100.00282	1.2
109.06491	1.7
111.00777	1.5
115.30723	1.0
118.04946	1.2
121.02844	1.0
121.06491	1.1
123.03162	4.1
123.04400	1.1
123.08095	2.0
123.92484	1.1
124.03928	1.1
125.09645	2.1
128.10696	4.2
130.08640	100.0
131.04912	2.0
131.08994	3.0
136.02603	1.1
137.02332	12.9
137.04759	1.2
147.04324	1.1
150.06778	1.0
152.99561	1.1
163.11180	1.3
166.12335	2.6
171.10181	3.4
172.09770	1.5
210.11270	5.3
247.07669	1.4
265.08649	7.4
265.14520	1.9
276.16043	8.4
294.17105	74.3
295.09744	2.8
295.17474	6.6
303.15973	1.8
304.85086	1.1
321.17023	2.6
338.19775	60.2
339.04996	2.1
339.08844	6.7
339.20599	3.3
343.16742	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	6.1
65.99722	13.7
66.00861	2.8
68.02401	16.4
71.21278	4.2
83.04864	2.2
85.02815	3.3
96.01919	3.6
101.02229	2.1
109.02715	28.8
111.00777	17.1
112.01433	25.0
114.22785	1.8
124.07571	85.0
125.07951	3.5
125.09651	3.2
126.99457	100.0
127.99836	3.0
128.99103	3.4
143.02647	2.1
166.09763	91.1
167.10120	2.4
171.10214	2.2
176.03435	2.0
179.69373	2.0
210.08876	2.8
242.29103	2.4
277.18097	2.4
303.04510	6.0
303.16074	3.5
338.20001	3.6
339.15823	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	337.2379
Annotation	Sclerophytin A
Peak:m/z	Relative Intensity
55.31451	1.4
59.01253	9.8
69.73660	9.1
72.99187	2.8
75.05882	1.5
79.95637	1.5
85.02830	6.6
86.77905	1.3
110.15702	1.6
111.00764	47.0
111.08037	41.3
112.08372	1.9
120.99258	1.2
126.99401	2.3
127.07507	3.7
127.99805	1.9
128.99152	4.0
154.99713	8.4
173.00861	11.0
190.12358	2.2
197.02756	1.5
197.15411	8.4
207.13982	1.6
209.15372	2.1
211.16982	1.5
223.04353	1.6
225.14914	100.0
226.15234	5.8
227.16582	4.4
237.05824	8.2
238.06601	1.5
239.16460	13.6
251.07364	14.6
252.08202	3.5
255.16057	2.3
265.09030	2.9
275.19891	1.7
284.07138	2.2
291.23248	7.1
293.21381	3.3
301.21695	2.3
310.29102	1.5
319.22751	21.8
320.23190	1.9
337.18381	94.7
337.23785	40.7
338.18835	8.9
338.23727	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51562	6.1
55.95184	6.3
59.01254	100.0
71.01241	7.8
84.05341	6.6
85.02824	16.1
95.51495	5.6
98.19764	16.5
111.00773	68.4
128.03445	19.8
143.04497	13.6
145.06036	10.7
173.00839	13.2
173.04521	9.5
179.04532	6.5
191.05499	23.1
191.08560	7.3
203.73013	7.3
215.67575	6.2
272.08966	13.2
338.06491	8.4
340.80353	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.9
58.00461	4.0
58.31549	0.9
59.01253	100.0
60.01586	0.9
62.71994	0.9
70.94952	2.7
71.01256	55.2
72.99193	6.0
73.02814	2.1
83.01266	3.0
83.53603	0.8
85.02824	16.8
87.00765	2.4
89.02319	52.5
95.01260	3.9
101.02326	35.4
107.31529	0.9
110.24239	0.9
111.00767	35.5
111.39740	0.9
112.01073	1.0
113.02335	21.0
119.03393	28.9
119.24741	0.8
119.38976	0.9
120.03784	1.1
129.01845	1.8
131.03423	2.7
139.52925	1.0
143.03368	2.8
143.04433	0.9
149.04503	1.7
154.99763	5.0
159.84598	1.1
161.04477	1.4
173.00861	9.0
179.05562	3.5
191.01859	2.6
259.52451	0.8
307.13852	1.1
337.15042	92.6
338.15442	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	337.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.9
58.00461	4.0
58.31549	0.9
59.01253	100.0
60.01586	0.9
62.71994	0.9
70.94952	2.7
71.01256	55.2
72.99193	6.0
73.02814	2.1
83.01266	3.0
83.53603	0.8
85.02824	16.8
87.00765	2.4
89.02319	52.5
95.01260	3.9
101.02326	35.4
107.31529	0.9
110.24239	0.9
111.00767	35.5
111.39740	0.9
112.01073	1.0
113.02335	21.0
119.03393	28.9
119.24741	0.8
119.38976	0.9
120.03784	1.1
129.01845	1.8
131.03423	2.7
139.52925	1.0
143.03368	2.8
143.04433	0.9
149.04503	1.7
154.99763	5.0
159.84598	1.1
161.04477	1.4
173.00861	9.0
179.05562	3.5
191.01859	2.6
259.52451	0.8
307.13852	1.1
337.15042	92.6
338.15442	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	337.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23795	2.4
58.00454	2.8
58.02842	4.6
59.00951	4.1
59.01254	83.5
63.07669	2.5
70.86781	5.2
70.87117	3.8
71.01255	49.6
72.99171	7.5
73.02806	3.3
74.02347	12.3
78.95779	3.5
80.96392	2.8
83.00807	3.2
83.01279	3.2
85.02838	18.1
86.02352	6.1
87.00777	4.0
89.02316	63.1
89.62068	2.6
93.03310	3.4
95.01244	2.7
96.95905	3.5
97.03947	5.0
99.00747	3.3
99.05518	9.6
101.02334	38.9
111.00774	50.7
113.02327	20.5
119.03391	26.3
125.03443	3.5
127.05048	2.8
128.03426	34.5
139.00455	2.7
143.03496	4.4
143.04536	41.0
145.06096	4.9
154.99773	8.6
173.00783	15.5
179.04536	9.7
191.01862	5.2
191.05527	11.8
210.08710	6.8
254.07813	12.6
272.08853	32.5
304.06195	4.2
337.15054	100.0
338.06653	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	337.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52495	0.3
58.15393	0.3
59.01241	1.3
59.06656	0.4
59.07082	0.3
59.07390	0.3
66.12789	0.4
68.99715	0.5
70.22821	1.7
74.48368	0.4
77.57096	0.4
80.14999	0.3
82.26975	0.3
85.02802	0.8
101.05957	26.3
105.07393	0.4
111.00019	0.5
111.00755	5.5
125.05971	84.1
126.06348	1.9
126.99451	39.6
127.99767	0.6
129.05437	0.5
150.99503	0.5
153.05507	3.3
154.98845	0.5
166.98865	0.4
173.00803	1.3
178.52298	0.4
183.01125	2.7
191.01906	0.5
194.98463	4.9
209.15450	0.6
223.05167	0.5
224.06026	2.1
226.12032	1.7
235.05322	0.6
237.14938	0.6
251.04739	3.0
252.05540	4.3
273.22656	0.4
309.12646	5.3
319.22714	3.6
337.12103	100.0
337.18045	11.4
338.12439	8.3
338.18747	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.4
67.01755	3.0
69.31017	3.3
69.31438	2.4
70.02840	0.6
72.99176	3.9
73.02802	0.8
83.01250	3.0
85.02824	17.4
87.82217	0.7
99.00777	0.9
101.02304	1.7
111.00761	100.0
112.01108	2.2
117.01841	0.8
119.04928	1.0
129.01834	5.3
137.00455	0.6
154.99771	13.6
156.00122	0.7
167.37654	0.6
173.00830	31.4
174.01236	0.9
174.97035	0.8
191.01878	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	337.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20417	0.6
58.03517	0.6
59.01235	3.7
59.33051	0.6
60.08612	0.6
67.01758	2.5
69.54653	3.5
69.55084	2.0
71.01239	1.7
72.73878	0.6
72.99175	4.8
83.01266	2.8
85.02822	16.0
89.02338	1.2
92.65421	0.7
99.00761	0.8
100.93111	0.7
101.02310	2.3
111.00763	100.0
112.01115	2.0
116.21171	0.7
117.01854	0.9
119.04905	0.7
123.12074	0.7
129.01837	4.4
138.45111	0.8
154.99762	15.2
173.00830	33.7
174.01143	1.6
191.01895	7.8
273.67358	0.7
337.15018	2.4
354.05936	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83321	0.4
59.01249	9.1
60.07207	0.5
67.01756	3.5
68.74796	0.4
69.28990	5.1
72.99181	4.8
73.02811	1.1
83.01263	2.0
85.02818	13.1
98.20518	0.8
99.00769	0.8
101.02300	1.4
110.46910	0.5
111.00757	100.0
112.01130	2.4
117.01821	0.6
119.04902	0.8
129.01820	5.2
154.99753	15.2
163.03847	0.6
173.00821	53.1
174.01178	1.5
191.01904	11.1
192.02151	0.6
211.04402	0.6
229.60762	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15898	0.9
59.01253	1.2
67.01752	2.9
71.34306	1.3
72.99174	3.0
75.00745	9.1
83.01254	2.6
85.02827	14.8
88.38530	0.8
101.02319	2.0
111.00766	100.0
112.01115	2.1
119.04918	1.6
129.01819	4.1
134.22070	0.8
154.99791	12.1
173.00830	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	0.7
61.24894	0.4
67.01756	3.3
70.31149	0.4
70.54787	1.6
71.01247	0.6
72.99176	3.3
73.02789	1.0
83.01249	2.1
85.02816	15.1
89.02328	0.6
101.02333	2.0
111.00761	100.0
112.01108	2.2
117.01846	0.9
119.04874	0.5
125.01655	0.4
129.01840	3.9
134.45735	0.6
154.99765	13.5
173.00824	36.6
174.01161	0.6
191.01909	9.5
201.67776	0.5
248.73465	0.5
337.14825	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0443
Annotation	imidazoleacetic acid ribotide
Peak:m/z	Relative Intensity
59.01231	3.7
70.19219	10.3
78.95776	46.7
80.67802	2.5
96.96848	3.1
110.98407	4.8
111.01893	100.0
146.04570	2.7
154.62399	2.6
165.77083	2.4
225.01590	13.9
278.91745	2.7
337.04492	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	336.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49291	0.5
51.93536	0.5
52.61925	0.5
55.05637	0.6
59.01250	16.4
67.01755	0.8
70.44654	1.8
71.01257	5.0
72.99168	1.6
73.02821	1.8
83.01254	1.2
85.02823	8.3
92.04935	9.5
93.05289	0.6
94.62512	0.5
96.21388	0.6
98.19890	0.6
99.00768	1.1
101.02334	2.3
111.00763	40.0
113.02351	1.3
116.04913	0.9
118.02876	3.5
119.04914	0.9
120.04411	1.7
129.01823	2.6
130.06592	0.6
131.03664	100.0
132.04453	92.1
133.04814	2.8
144.04445	6.1
146.05994	1.6
154.99747	6.3
156.04633	0.6
157.05257	0.8
158.06036	6.0
159.95770	0.5
161.04468	3.4
163.03928	0.8
168.04419	0.8
172.03918	0.7
173.00844	15.5
174.05515	12.5
186.05551	4.7
191.01907	2.4
203.05629	1.0
276.08786	2.0
294.09845	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1241
Annotation	Sinomendine
Peak:m/z	Relative Intensity
51.82122	5.2
55.99822	4.8
64.16891	5.1
69.53136	40.8
93.03326	21.9
98.22081	5.6
106.09263	5.8
119.04910	22.0
121.02901	8.6
130.04131	13.0
131.04941	26.2
132.04428	6.5
133.06477	6.0
135.04443	43.9
144.04543	11.9
145.02803	6.7
145.06471	7.0
146.06007	8.3
147.04422	14.3
149.04776	11.4
149.06071	6.9
157.06488	32.1
158.06044	11.0
159.04430	9.8
161.06062	13.9
173.05885	5.8
184.07533	9.3
186.05499	9.3
230.08180	12.9
231.08130	8.2
235.07603	8.9
247.07576	10.9
248.08362	8.4
249.09117	29.3
259.07626	10.0
260.08453	9.4
261.09003	15.6
264.07980	5.9
265.08759	13.3
273.09293	8.7
274.09018	8.4
276.07733	6.9
276.10483	44.8
277.08731	16.4
278.09323	10.0
279.10300	37.8
288.10275	23.1
291.10281	32.5
292.09940	15.9
294.11435	63.9
295.09354	11.7
300.10123	6.6
306.07672	18.4
306.11334	28.0
309.11316	26.1
318.11353	52.7
336.08786	8.3
336.12411	100.0
337.12753	13.1
337.16452	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	335.223
Annotation	Vitexifolin E
Peak:m/z	Relative Intensity
56.63059	1.6
59.01250	44.4
71.57455	1.8
78.95779	4.0
82.57002	1.8
88.74458	2.0
184.99014	2.0
191.18021	2.6
205.15935	3.2
247.20653	2.7
275.20139	26.3
293.21234	100.0
294.21619	8.5
295.08786	1.9
335.15338	7.0
335.65311	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30318	2.1
59.01248	16.0
63.46994	2.0
67.69645	1.9
69.39143	4.9
69.39539	21.6
71.57049	2.0
77.18002	2.3
78.10088	2.2
78.95781	3.1
80.07098	1.9
253.21698	100.0
254.22067	6.3
297.78491	2.5
335.22147	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	335.2226
Annotation	Vitexifolin E
Peak:m/z	Relative Intensity
52.75936	0.7
59.01249	100.0
60.01575	1.4
69.61011	1.1
69.61414	4.4
72.02961	0.7
81.66805	0.7
98.19822	1.3
101.42324	0.7
141.93150	0.8
152.56769	0.7
228.73230	0.8
231.21227	2.3
275.20135	38.6
276.20462	4.7
293.21262	14.0
306.78452	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2227
Annotation	Cladiellaperoxide
Peak:m/z	Relative Intensity
56.79827	0.3
57.03310	1.4
59.01244	0.6
59.98407	0.6
67.16077	0.3
68.02410	100.0
69.03328	6.2
71.18007	1.0
78.91757	3.6
78.95789	0.6
79.16484	0.4
81.06977	1.3
83.04887	3.7
87.04408	0.8
91.28659	0.4
95.04934	1.1
97.06473	0.7
99.04394	4.4
99.07999	0.7
109.79934	0.4
110.03493	0.6
111.04436	0.5
118.38252	0.4
126.99465	0.5
129.09132	1.2
131.18831	0.4
152.08218	1.4
156.19891	0.4
157.49812	0.4
170.94427	1.2
192.95773	0.6
201.16440	0.5
203.17917	0.4
205.15999	1.2
221.15442	1.6
221.19060	0.8
234.46902	0.4
247.17021	4.6
287.97961	0.4
317.21198	0.8
335.15649	1.7
335.22272	47.2
336.22614	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	335.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70308	0.8
58.13299	0.9
59.01254	19.3
69.85768	5.6
72.84707	0.9
157.67802	0.8
159.85948	1.0
223.16965	13.7
233.11774	0.9
235.16997	23.9
236.17281	2.1
253.18085	100.0
254.18353	7.4
263.16275	0.9
275.13147	1.4
275.16302	5.3
277.14236	3.0
287.16544	2.4
288.50909	1.1
293.16223	2.1
318.25427	1.0
319.15228	3.6
335.17920	10.2
335.22205	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	335.184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26139	1.4
59.01250	18.4
69.84954	1.4
71.04904	1.3
71.57927	2.1
71.58337	2.7
89.25119	1.3
95.04865	2.6
120.15906	1.5
171.10170	8.3
192.95868	1.9
195.13857	6.3
223.17039	1.8
232.17053	3.1
235.17023	18.0
253.18074	100.0
254.18495	6.1
273.14798	2.7
275.16293	26.4
293.16074	1.7
319.15271	2.7
335.17834	11.0
335.22333	4.0
336.17365	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	335.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	1.5
59.01258	13.2
66.16620	0.8
68.76099	0.9
69.39515	0.9
71.01258	12.4
71.34772	1.8
71.35123	1.1
72.99209	1.1
73.02831	4.8
78.41566	0.9
83.01262	2.5
83.04889	1.0
85.02837	6.8
85.25049	0.9
87.00752	1.9
87.38563	0.9
89.02330	1.6
95.01264	1.3
99.00767	1.8
101.02316	5.8
109.06448	0.9
111.00797	1.7
111.62265	1.1
113.02324	2.5
122.05995	1.9
126.99473	5.8
127.11143	1.3
136.07590	2.0
150.05522	2.1
155.10640	1.9
173.11745	33.5
174.12090	1.3
201.06627	1.4
212.10886	1.1
229.09831	4.6
247.05508	1.1
264.58997	1.1
273.12405	7.0
274.12869	1.1
317.11450	7.3
317.16052	2.7
317.19522	1.2
335.12671	4.8
335.17126	100.0
336.17334	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	334.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44394	1.5
55.00492	1.2
55.20670	1.2
57.03323	10.1
59.01239	4.0
69.03331	3.0
69.54958	8.4
81.03344	1.5
83.04903	23.1
84.04425	1.6
93.03339	9.7
94.02864	3.4
94.06538	1.3
94.24668	1.2
95.04889	3.4
96.04427	50.3
96.25079	1.4
97.06475	5.7
98.19859	2.9
106.04112	18.6
107.04913	15.5
109.06467	2.1
110.06020	2.4
112.07568	100.0
113.07922	3.2
119.04934	5.6
127.88728	1.4
128.35641	1.3
129.06940	1.2
129.10690	1.2
135.08012	1.5
138.03114	5.3
149.09659	1.7
159.11702	5.2
167.10730	2.3
175.11151	3.1
177.12772	61.9
178.13165	2.7
183.08157	2.6
185.09714	3.0
195.13858	4.7
203.10719	52.0
204.11095	3.9
221.11795	58.0
222.12158	2.7
229.12199	2.7
237.12517	2.6
237.14928	51.8
238.15181	2.4
239.12903	2.6
247.13390	17.8
272.20227	9.4
298.18195	12.8
303.16055	1.8
315.25540	1.6
316.19165	66.6
317.19537	4.4
334.20264	60.4
335.20435	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	335.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80141	1.0
59.01250	100.0
60.01587	0.9
62.77186	0.9
68.02404	1.7
69.59043	7.4
72.47407	1.0
79.82121	1.0
98.20502	2.3
107.95562	1.2
113.33031	1.1
119.98938	1.1
125.39780	1.0
138.13521	0.9
163.03915	1.3
311.37973	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73927	0.6
58.02837	1.6
69.62381	3.6
74.02322	0.8
82.02855	2.5
84.04417	8.2
85.02834	0.6
89.16777	0.6
93.03333	100.0
94.03677	2.0
94.25690	0.6
98.02361	1.1
102.05490	0.7
116.03419	1.6
118.02840	4.6
128.03439	6.9
128.10704	1.8
136.03938	8.8
137.02333	0.7
139.74739	0.5
141.10233	2.0
154.12285	1.2
160.07619	1.6
162.05507	1.0
166.18253	0.5
166.27031	0.5
167.11809	3.8
168.10199	0.6
169.13393	3.2
171.14946	5.5
173.78027	0.6
183.69080	0.5
195.11374	4.2
196.11853	0.5
197.12892	34.6
198.11292	5.4
198.13145	1.1
210.54453	0.6
215.13956	48.5
216.14268	1.2
228.99707	0.6
240.80101	0.6
241.11906	10.1
284.98117	0.6
291.17175	9.0
317.15012	9.1
318.15295	0.6
335.16113	56.9
336.16467	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	333.1707
Annotation	Rubrosterone
Peak:m/z	Relative Intensity
59.01246	3.0
60.37153	0.5
65.10633	0.4
68.02389	0.8
69.27864	1.3
69.28265	3.8
76.46843	0.4
80.02563	1.2
81.03333	1.2
83.04899	5.7
84.02042	2.1
86.70888	0.5
93.03335	27.1
94.03661	0.8
95.04921	0.8
96.95874	0.6
121.02821	0.5
122.03584	0.6
123.08045	1.2
125.05965	0.5
135.04414	4.4
135.07994	0.8
159.04414	0.5
161.05951	0.8
163.11201	5.1
165.12769	3.1
174.06818	1.5
181.12245	1.1
191.10695	1.6
209.11766	100.0
210.12086	6.2
221.11742	3.4
227.12825	19.0
228.13118	0.7
239.12946	1.2
274.15720	7.5
289.18054	1.5
297.15039	1.8
315.16003	14.8
316.16406	1.0
333.17050	15.9
334.17331	1.9
351.55713	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1707
Annotation	Gibberellin A10
Peak:m/z	Relative Intensity
59.01252	0.5
69.92081	1.0
69.92495	1.3
82.85732	0.4
83.33671	0.4
107.04911	3.0
121.30364	0.4
125.35845	0.5
131.08582	1.4
135.04422	58.4
136.04716	1.9
159.04445	1.8
160.05191	2.3
171.08099	1.0
172.08229	0.4
173.05998	0.5
174.06786	15.9
175.07573	5.4
188.08427	0.7
189.09132	3.9
244.14708	1.0
256.14673	2.7
259.13495	0.5
259.17087	0.7
271.17090	1.6
274.15750	100.0
275.16101	7.3
289.18109	32.3
290.18411	2.6
315.15814	1.0
315.98294	0.4
333.13345	0.6
333.17084	8.4
333.20605	0.6
333.24323	0.7
334.17441	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	54.1
62.97567	0.9
70.11581	4.0
72.00792	1.1
73.02836	1.2
73.03946	3.4
78.95780	3.0
82.06446	0.9
83.04909	2.1
89.02334	1.5
91.03881	2.2
91.05367	0.9
105.47330	0.8
111.07996	1.2
124.94521	0.9
125.09628	2.0
127.11139	1.5
129.10240	3.2
129.46837	0.9
130.08614	1.3
137.09622	12.3
138.09990	0.9
141.10236	1.3
147.04402	2.6
149.86613	0.8
152.99466	1.4
153.09116	2.2
155.10689	100.0
156.11034	3.9
164.07120	9.9
169.09746	3.2
171.10178	29.6
172.10519	2.3
180.21771	1.0
181.08565	4.4
186.12402	10.7
197.11772	2.5
199.09698	25.9
200.10008	1.7
215.12845	22.1
217.10770	39.0
218.11067	3.5
226.15289	0.9
228.94563	1.0
233.16583	2.5
241.10748	1.9
248.92487	1.2
273.13443	22.7
290.18994	1.1
291.14505	88.5
292.14960	7.6
333.15591	25.2
333.19193	3.5
334.17813	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	333.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	30.1
68.94080	1.0
69.03330	1.4
69.40784	1.0
69.80139	1.2
70.67757	1.2
70.68105	3.9
83.29037	1.3
93.03394	1.3
99.92442	1.1
107.04926	1.6
111.08121	1.4
113.09617	2.1
116.87801	1.1
127.32286	1.1
157.08632	5.9
158.08971	6.9
159.09123	4.4
163.14844	1.7
171.13786	2.8
172.14119	1.4
173.14268	1.7
187.09697	4.2
188.10036	4.8
189.10249	6.6
189.16418	1.7
195.13835	7.2
205.15967	8.2
207.13817	2.5
207.17459	3.7
221.15477	5.8
222.60472	1.3
223.16969	13.2
226.87079	1.3
233.15456	19.1
234.15752	1.8
251.16516	100.0
252.16734	6.7
255.13939	1.3
273.14764	47.1
274.15030	4.2
291.14609	4.4
313.22952	2.5
315.24374	4.0
317.13629	1.4
332.25177	4.9
333.16147	12.0
333.20908	2.8
333.25497	75.0
334.25671	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	333.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18939	1.0
53.50198	1.2
59.01251	52.0
70.78051	1.2
71.01257	2.1
71.56956	1.5
71.57457	1.4
73.03946	3.5
75.44257	1.1
78.95769	2.2
83.02357	1.5
91.03902	1.6
92.08918	1.0
95.16528	1.1
96.95882	1.2
101.12888	1.0
105.01833	1.6
117.69685	1.0
127.11150	2.1
129.10245	3.3
130.08594	1.6
137.09612	10.6
140.06868	1.1
141.10280	1.4
147.04417	3.1
153.23410	1.2
155.10686	100.0
156.11034	4.5
164.07108	10.7
168.11362	1.6
169.09735	4.3
169.12279	1.7
171.10178	40.6
181.08600	4.3
186.12389	9.1
197.11725	2.7
199.07980	1.9
199.09700	23.6
200.10065	1.2
213.11177	1.8
215.12843	15.3
217.10744	39.6
218.11073	3.2
225.11279	2.5
233.16478	1.9
246.31358	1.1
273.13437	21.1
290.18692	1.5
291.14493	82.1
292.14902	5.8
333.06485	1.6
333.15637	26.6
333.19205	4.5
334.17847	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	331.249
Annotation	9,10,18-Trihydroxystearate
Peak:m/z	Relative Intensity
57.03321	0.7
58.00456	0.8
59.01249	2.2
68.87173	0.9
69.49776	5.6
71.06627	0.7
73.02815	0.9
73.28361	0.7
111.08044	4.7
113.09615	5.9
126.45258	0.8
129.09082	1.5
141.09117	2.2
141.12755	2.3
143.10701	1.2
151.07565	2.5
155.14302	1.9
157.07388	1.4
157.08614	21.1
158.09048	1.2
161.87198	0.8
169.12337	1.7
171.10257	1.4
171.13783	5.3
187.09676	16.2
217.17520	0.8
228.76123	0.8
264.88962	0.9
273.14566	1.5
277.21667	1.3
295.22821	0.9
311.22147	1.3
313.23877	5.2
331.24899	100.0
332.25287	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	331.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03296	1.3
59.01252	3.4
66.32786	0.8
71.06937	2.0
74.02328	3.1
84.59151	0.8
103.60040	0.9
111.08031	3.4
113.09607	4.2
116.03416	1.1
123.08056	1.3
141.09128	4.2
141.12723	1.8
151.07532	3.3
153.01869	0.9
155.14333	3.0
157.08603	15.8
171.10199	1.6
171.13789	2.8
187.09702	16.0
197.13437	1.1
277.21759	1.2
289.22858	3.3
295.22751	1.8
311.22186	1.8
313.14136	1.7
313.23969	6.6
331.15509	2.9
331.24893	100.0
332.25177	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	333.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71586	0.4
54.31821	0.4
55.87707	0.4
58.02835	1.1
59.01260	0.8
59.76460	0.4
61.75563	0.4
70.68664	0.5
71.13704	0.9
71.66751	0.5
72.99184	0.8
74.02351	0.7
80.96400	1.0
82.02850	1.3
84.04422	7.7
85.02855	1.1
93.03337	100.0
94.03651	2.9
97.03950	1.7
98.02329	1.2
99.05513	1.9
101.07081	7.6
109.03973	2.3
115.05042	2.5
116.03404	1.8
118.02885	4.8
120.04363	0.5
126.09174	1.0
126.99450	2.2
127.05028	24.1
127.99780	0.8
128.03421	7.1
128.99168	39.9
129.99475	1.2
136.03937	6.1
137.02354	0.8
137.22697	0.5
145.06104	0.5
148.03836	0.7
160.07574	0.9
162.05531	1.6
166.08723	0.5
176.06912	0.5
193.09818	3.2
195.11339	9.8
196.09764	5.7
196.11546	0.8
203.08139	1.3
204.06625	0.7
213.12390	42.5
214.12617	1.5
221.09273	3.3
230.95567	0.4
239.10313	8.0
247.07213	0.8
254.39905	0.4
287.18576	0.7
289.15500	5.9
315.13513	8.2
316.13861	0.9
333.14578	33.9
333.19000	3.3
334.14990	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	331.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	2.9
66.39291	2.2
69.03328	16.0
71.01259	12.0
71.04932	2.4
71.15823	6.1
78.95835	2.0
85.02827	9.1
86.23984	2.5
87.04407	16.2
95.50874	2.0
97.02830	50.0
97.06503	3.0
141.09157	4.1
142.82396	2.1
153.01941	3.4
165.01595	3.3
168.04195	2.6
178.02295	5.6
183.10007	2.7
191.03224	5.3
193.08321	6.7
193.53822	2.5
194.98120	2.9
209.07771	2.9
210.01469	5.0
219.06281	6.4
221.07881	2.4
221.15422	6.1
222.08702	40.2
223.09462	22.6
233.11354	2.7
249.15004	4.1
254.07782	4.3
261.11060	49.3
262.11835	100.0
263.12231	5.1
267.12128	2.6
273.14752	12.9
275.12457	5.7
277.14163	5.5
294.10931	9.8
301.14441	2.8
313.17853	6.6
331.18942	75.7
331.23236	3.7
332.19357	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	331.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.5
59.01249	2.1
68.15776	0.9
68.99695	14.5
70.14592	4.2
71.01253	3.3
74.02354	4.3
78.95733	1.8
85.02836	5.1
85.20045	1.0
85.39305	1.3
92.40903	1.2
92.75899	1.1
93.03340	34.1
94.03668	2.8
97.02843	2.1
97.46184	1.0
98.20535	1.7
101.02311	1.1
102.81153	1.1
104.83216	0.9
105.06980	1.1
107.04875	1.9
108.02061	3.7
109.02843	2.6
113.59479	0.9
117.03346	1.6
118.03683	1.7
118.39857	1.0
119.04901	4.2
121.02838	5.3
122.06214	1.0
122.76498	1.0
123.00768	2.5
123.04408	3.0
123.08057	21.0
124.01551	7.3
125.02320	2.7
126.99377	1.4
131.04887	2.3
133.04951	1.4
135.04446	2.0
137.02341	7.6
138.03101	2.2
139.02742	1.2
143.04956	1.1
145.06496	2.8
147.04416	3.0
149.05983	2.2
151.07567	1.8
159.04443	1.2
161.05939	3.6
161.09636	3.3
161.11688	1.0
163.03938	2.5
169.06444	2.8
170.07228	2.4
171.08061	1.9
171.10233	2.0
173.05951	1.2
174.04495	1.0
177.05479	3.0
179.07018	1.2
181.06479	1.9
182.07196	1.3
183.08070	4.5
184.05234	1.4
185.09486	1.1
195.06517	1.2
195.08105	1.8
196.05179	1.1
196.08458	1.4
197.06012	1.7
197.09619	1.4
199.11168	2.0
205.08655	5.6
209.06078	3.5
209.09711	1.3
210.06813	100.0
211.07495	19.3
211.10509	1.4
212.07962	1.7
213.09175	7.7
225.09056	1.7
227.10793	5.2
229.12309	48.4
230.12640	1.7
235.07512	1.3
237.09024	1.1
239.07059	3.4
239.10387	1.5
240.07901	18.5
243.10173	3.6
253.15643	6.8
255.10272	6.0
257.11792	3.2
269.11691	9.7
271.09698	2.0
283.09634	4.3
285.14520	1.5
297.14557	8.9
299.12885	94.4
300.13223	7.2
301.10794	19.6
313.10730	1.1
331.11914	12.5
331.15680	3.7
332.12347	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	331.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	8.0
71.01225	2.8
79.90613	2.1
83.92120	2.2
85.80227	2.1
118.06513	3.0
120.04448	3.3
122.05975	2.7
132.04417	5.3
138.05490	10.4
154.10645	2.2
162.06760	2.7
164.07080	47.9
164.25784	2.2
168.04112	2.7
171.10136	3.8
174.03029	2.3
175.07504	2.2
184.11223	9.0
193.08351	2.6
197.07047	3.1
200.07036	4.8
201.11172	3.4
202.08626	5.0
208.06114	6.2
214.08583	3.7
216.10255	5.3
226.08701	2.9
228.10252	3.5
229.10960	2.7
234.08879	8.3
239.08243	21.4
244.13422	23.0
254.10622	13.8
257.11420	2.4
259.08463	11.7
271.10733	3.0
288.09207	5.5
288.12408	100.0
289.12692	8.4
298.09662	2.6
313.11893	66.0
313.17865	6.5
313.23856	2.3
314.12277	3.3
330.23566	6.5
331.12808	15.3
331.18939	11.6
331.24142	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.14
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	10.5
59.01249	78.9
59.34740	7.5
69.70920	28.0
69.71333	16.6
71.01275	35.5
71.29222	6.5
71.87231	6.5
72.99188	51.8
73.02812	11.0
75.79895	7.0
78.95753	11.6
81.03342	8.2
85.02812	14.9
87.00732	7.6
89.02328	28.8
91.88195	7.0
93.03348	25.0
101.02329	14.1
104.03463	11.8
107.08556	19.3
109.06519	10.1
113.02313	21.2
121.06499	24.8
134.03644	13.2
135.04433	15.1
149.06013	54.5
151.07596	9.9
153.72626	7.2
161.06004	16.9
169.08572	16.2
177.05475	100.0
189.05534	11.3
211.09702	9.0
237.97237	8.0
241.10695	8.6
242.81429	7.0
265.08746	10.3
268.87817	8.0
283.09708	51.8
303.21591	10.1
331.17630	21.0
343.10098	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	331.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01728	0.7
57.03320	1.0
59.00953	1.2
59.01251	21.0
69.03325	14.9
69.93465	1.7
69.93873	3.2
71.01244	1.0
71.04858	0.7
73.33836	0.8
74.25648	0.7
74.68410	0.8
76.37782	0.7
83.04906	1.3
88.15280	1.0
95.04906	2.2
96.09921	0.7
97.06483	1.5
111.08077	1.0
128.88759	0.8
131.60910	0.9
147.11705	2.3
149.13264	2.1
153.02042	0.8
165.12718	2.0
167.10699	1.5
171.10266	1.1
187.14868	1.1
191.93378	0.7
193.12303	2.9
205.12279	5.7
205.15894	4.5
215.10513	2.7
219.09984	1.2
221.15430	7.4
230.14693	0.9
231.13815	17.6
232.14288	0.9
233.11533	17.7
234.11894	1.2
239.57791	0.8
249.14928	100.0
250.15237	6.0
269.11481	0.8
271.13174	6.5
309.94153	0.8
313.17935	0.9
331.15222	7.9
331.18701	1.1
331.24377	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	331.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80665	4.2
54.11658	3.6
56.84024	4.0
59.01247	15.7
71.01250	7.7
71.57630	4.6
72.99178	4.1
78.95808	6.3
93.03357	25.0
103.65662	3.6
107.04893	11.0
109.02846	4.3
121.02814	6.3
121.06510	23.9
134.03671	19.4
135.04401	18.6
147.04382	11.5
148.05188	8.1
149.05986	59.4
151.03886	7.4
161.06001	10.4
165.05502	6.1
173.06020	4.2
177.05495	100.0
180.04131	4.4
189.05482	14.6
189.07851	4.1
223.95068	3.8
253.08559	19.1
265.08694	13.8
283.09717	62.2
284.05859	4.2
284.09943	5.3
313.10919	7.1
317.92178	4.4
317.96613	4.9
331.17636	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	331.0801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80932	0.3
55.01770	0.9
59.01248	3.8
59.15239	0.3
66.24904	0.3
69.03333	2.5
71.01250	3.5
71.56093	0.4
72.99183	7.2
73.02832	0.5
75.00749	8.4
75.42432	0.4
78.95800	0.7
81.03342	0.9
83.01280	1.4
85.02856	0.4
85.72358	0.3
86.46570	0.3
87.00758	2.4
87.04391	0.7
89.02312	2.7
95.01279	0.9
97.02842	2.4
98.02368	0.4
99.00755	4.6
101.02343	1.9
107.01286	1.2
113.02323	0.5
117.01828	1.6
119.03409	0.6
123.00771	3.4
124.00259	0.5
124.01561	13.0
125.02339	43.1
126.02711	1.5
128.03386	0.3
129.01817	2.7
133.04965	100.0
134.05328	1.8
137.02321	0.3
145.06104	0.3
147.02882	0.9
149.99493	20.0
151.00291	2.0
159.02876	1.9
161.04451	0.4
167.03368	0.6
168.00562	43.6
169.01324	4.0
169.54173	0.3
175.06046	3.0
179.03508	0.3
179.05574	1.0
193.01411	0.5
205.07109	5.6
213.35179	0.3
230.94949	0.3
235.08179	1.8
250.34503	0.4
254.08081	0.3
295.10352	0.5
313.05627	3.7
331.06711	65.4
332.07077	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76112	2.7
70.24294	11.6
104.02437	3.0
104.68979	3.2
123.00762	10.6
123.04414	21.0
124.01581	19.3
125.02341	26.1
129.56198	2.9
134.75272	3.1
149.99565	6.3
151.00238	7.6
168.00536	63.4
169.01292	13.2
170.95801	2.9
218.60609	2.8
331.06683	100.0
331.10495	6.5
332.07086	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	331.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	27.4
70.81682	4.5
71.56490	6.8
93.03354	15.7
96.48567	5.2
97.02996	5.1
109.02809	5.3
121.02854	33.9
123.08071	4.6
131.04855	6.7
134.03656	6.1
135.04489	6.7
137.02393	5.7
146.03532	4.6
147.04457	14.2
149.06012	14.3
159.04468	11.1
161.06081	11.8
169.08759	5.8
173.06024	6.2
177.05496	38.2
179.75380	4.4
247.07457	5.6
248.50566	4.8
253.08696	100.0
254.08997	11.5
265.08652	20.5
283.09738	72.8
284.10129	8.3
301.10873	49.1
302.10748	6.1
313.10757	19.0
331.11874	18.9
331.17603	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	3.0
63.95452	0.8
69.86070	4.6
79.26860	0.8
80.02574	1.2
81.03331	1.9
83.04903	5.0
84.02044	1.7
84.04408	1.2
89.20370	0.8
97.57925	0.8
102.05492	26.3
104.08545	0.9
163.11224	3.2
165.12720	2.8
166.68320	0.8
181.12302	0.9
191.10657	0.9
206.29576	0.9
209.11769	100.0
210.12160	4.6
227.12833	28.9
228.13191	2.0
241.54387	0.9
256.59155	1.0
286.16635	2.1
330.03464	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82888	0.6
59.01249	5.2
60.01598	0.6
60.62370	0.5
71.01256	1.1
71.37007	0.9
80.02551	0.6
80.93884	0.5
81.03326	0.9
83.04903	4.6
84.02043	2.1
84.04422	1.0
96.95878	0.6
102.05483	22.5
102.06157	1.2
103.05866	0.5
129.30940	0.6
130.08600	0.6
135.08101	0.7
163.11241	2.7
165.12746	2.3
191.10706	1.2
209.11772	100.0
210.12148	4.9
225.06628	0.5
227.12849	37.4
228.13196	2.5
268.15652	1.0
286.16486	2.5
330.19241	0.7
331.13861	0.9
337.41479	0.6
343.51581	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0672
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.90986	0.9
69.03333	5.7
70.98559	2.3
70.98902	0.9
81.03322	2.0
83.01245	2.4
95.01238	0.9
97.02845	5.2
107.01297	1.8
122.00700	1.2
123.00809	5.2
124.01560	24.7
125.02345	87.7
126.02688	1.2
149.99501	37.9
151.00244	2.1
167.03474	1.5
168.00575	88.8
169.01350	7.4
313.05765	9.4
331.06726	100.0
332.07120	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	329.2333
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
57.03311	0.9
59.01240	3.3
62.43416	0.7
69.24557	2.2
69.24969	9.1
99.08044	2.9
104.83414	0.8
111.08015	1.5
113.09594	2.6
121.16704	0.9
125.09586	1.1
127.11183	1.9
129.09093	1.7
139.11168	3.7
153.12773	7.8
155.10629	1.0
157.08609	42.3
157.75301	0.8
158.08922	1.7
171.10144	4.1
187.09665	2.0
199.13374	2.5
206.14781	0.7
209.11841	1.0
211.13312	2.5
229.14421	3.5
275.20151	1.5
293.21237	2.6
311.22275	7.0
329.23306	100.0
330.23672	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2334
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
57.03326	2.3
57.32240	0.4
57.75479	0.3
59.01252	5.3
69.03318	0.7
71.01259	1.0
71.04900	1.0
71.57663	0.7
71.58024	0.5
73.02811	0.5
74.02324	0.6
81.03335	0.9
83.04906	4.4
85.06470	2.3
88.77427	0.5
93.03381	0.9
99.08043	1.7
108.02090	0.6
109.06511	1.0
111.04432	4.3
111.08050	1.0
121.90939	0.4
123.04443	1.0
125.05968	0.5
127.07553	8.4
127.11224	0.5
128.45009	0.4
129.05486	20.3
129.09091	0.4
130.05861	0.6
137.02386	0.5
139.11205	1.2
143.07037	2.1
153.47977	0.4
155.07040	2.1
155.10724	0.5
169.12123	0.5
171.10243	1.5
183.13895	1.9
197.15456	1.2
198.82614	0.4
199.13368	0.6
210.06915	0.6
211.13359	2.0
223.07507	0.5
229.14427	1.4
235.16165	0.5
253.16881	0.4
281.08209	0.4
293.21078	1.2
299.20627	0.4
309.20798	0.9
311.16470	0.6
311.22153	3.1
329.11288	1.3
329.23312	100.0
330.23657	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	329.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10749	0.3
54.20373	0.3
57.03313	0.6
59.01233	0.4
59.84367	0.4
62.56700	0.3
69.03326	0.6
69.41323	1.1
69.41756	2.0
71.04854	0.4
76.98016	0.3
83.04907	0.5
85.02806	0.6
99.07442	0.5
99.08035	5.9
100.08335	0.4
125.09601	1.2
127.11167	2.1
129.09087	0.7
134.39302	0.3
142.13013	0.3
155.14325	1.0
165.12691	0.7
167.14314	1.7
171.10179	2.7
174.63216	0.3
183.13846	7.5
185.11737	0.4
193.12302	1.9
197.11754	0.4
199.13351	0.9
209.11725	1.2
211.13341	33.6
212.13693	1.7
229.14406	18.0
230.14810	1.0
244.14944	0.4
293.21188	1.3
311.22314	1.8
329.23303	100.0
330.23669	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	329.2333
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
58.00460	1.9
59.01246	3.8
69.71994	1.6
69.72413	4.1
93.70579	0.8
99.08034	7.2
100.21324	0.9
127.11219	1.3
127.21413	0.8
129.09111	4.5
140.80006	0.9
169.12274	5.9
171.10173	3.5
181.12279	3.4
183.13773	1.1
193.12396	1.8
197.11665	1.8
199.13324	13.8
200.13528	1.0
201.11304	1.6
211.13329	8.8
227.12863	1.3
260.59784	0.9
275.20193	1.3
293.21179	1.5
293.81653	0.9
311.22275	3.2
329.23328	100.0
330.23703	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2333
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
57.03321	2.7
58.00455	1.1
59.01252	7.1
66.62693	0.6
70.10786	2.9
71.01244	1.4
72.99179	0.7
73.02820	1.6
78.95776	2.3
80.93449	0.7
83.04881	0.8
97.06445	1.1
98.19849	0.7
99.08057	2.9
108.02087	1.3
109.06484	1.0
111.08015	4.5
113.09631	1.0
123.04424	2.7
123.08047	2.6
125.09650	1.4
125.66116	0.9
127.11166	3.4
129.09142	1.9
139.07600	0.8
139.11174	3.5
141.09117	2.4
141.12772	1.6
146.03612	1.9
149.05994	0.9
152.99477	1.8
155.10706	1.7
155.14352	4.4
157.12244	6.6
161.25272	0.8
169.12267	1.6
171.10187	44.4
171.13817	1.5
172.10497	2.1
181.12291	1.2
183.13846	2.4
187.09683	1.1
191.18076	1.2
193.12274	1.0
199.13359	5.2
201.11200	1.7
211.13362	10.0
229.14415	18.0
230.14687	1.0
269.63046	0.8
277.21521	0.8
287.22348	1.1
293.21213	1.2
311.22342	3.4
329.17068	4.2
329.23325	100.0
330.23593	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2334
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
57.03316	1.2
59.01251	1.9
61.41436	0.4
69.03334	0.5
71.58257	0.6
83.04893	0.9
85.02849	0.7
85.63406	0.3
93.03313	0.5
97.06477	1.0
99.08035	7.0
108.02062	0.7
112.03342	0.3
121.02851	0.5
123.04424	0.5
125.09604	1.6
127.11195	3.9
129.09087	0.7
134.76878	0.4
137.02319	0.6
139.11166	3.7
146.03705	0.4
155.14296	0.8
160.05164	0.4
161.06010	0.7
165.12743	0.7
167.14320	1.9
169.39302	0.4
171.10199	11.7
181.12383	0.4
182.01273	0.3
183.13869	5.8
193.12279	2.5
197.11678	0.5
199.13356	1.3
201.11327	0.5
209.11813	1.9
211.13350	30.8
212.13704	2.0
229.14426	19.2
229.16766	0.4
230.14731	1.1
249.09074	0.4
255.16010	1.5
267.10251	3.5
268.10745	0.5
293.21420	1.7
299.01669	0.4
311.22253	2.0
329.23312	100.0
330.23648	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2334
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
58.00478	1.1
59.01248	4.7
62.97604	1.0
63.67271	1.0
70.64248	2.1
70.64641	1.7
72.69497	1.0
83.04891	1.1
95.47276	1.0
98.20546	1.2
99.08038	3.0
108.02053	2.1
111.23592	1.0
122.55329	1.1
123.04420	3.1
125.09628	1.3
127.11153	2.6
139.11201	4.0
140.81366	1.0
146.03632	1.1
153.12816	1.1
155.14328	4.3
165.05515	1.4
171.10187	9.1
183.13855	7.2
199.13344	7.7
206.05463	1.1
211.13341	13.4
214.03520	1.0
223.13403	6.2
227.12854	2.6
229.14410	100.0
230.14706	5.1
287.22272	3.2
293.21304	1.5
311.22302	12.1
312.22604	1.3
329.10272	2.5
329.23309	60.2
330.23697	3.5
351.38901	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17570	0.4
57.03312	0.4
58.00459	1.8
59.01245	3.3
60.54442	0.4
62.23669	0.4
70.68251	0.3
72.99199	0.4
87.04873	0.4
97.06485	0.5
99.08037	8.3
104.85948	0.4
113.09579	0.6
127.07529	1.4
129.09103	7.7
148.60048	0.4
153.12759	0.5
155.14349	0.5
163.11089	0.5
169.12228	3.7
171.10196	0.4
176.85095	0.4
181.12265	5.6
183.13817	2.3
193.12213	2.1
197.11772	2.4
198.12077	0.5
199.13345	19.5
200.13731	0.5
211.13361	13.3
212.13707	0.9
227.12868	0.6
229.14313	1.9
242.23669	0.4
250.90002	0.4
275.20135	1.0
291.88373	0.4
293.21265	3.4
301.02466	0.4
311.22260	2.3
329.23312	100.0
330.23682	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	329.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18933	0.5
50.77477	0.6
52.86565	0.5
57.03328	0.8
57.88857	0.5
58.00461	1.9
58.54062	0.5
59.01028	0.5
59.01249	5.9
61.98691	0.6
69.28584	5.7
79.63714	0.5
83.04885	0.5
84.89979	0.6
87.00726	0.9
96.76769	0.8
97.06501	0.7
98.19813	1.2
99.08025	8.7
111.00939	0.5
111.08031	0.5
113.09593	0.7
127.07543	1.5
127.11194	0.6
129.09096	6.5
139.11270	0.8
140.09714	0.6
155.10678	0.9
169.12241	7.3
171.10213	2.6
181.12314	4.2
183.13774	1.7
183.36041	0.6
185.00652	0.9
193.12314	1.9
197.11757	2.3
199.13336	23.8
200.13737	0.6
211.13338	13.0
227.12859	1.2
229.14377	1.5
231.32323	0.6
275.20139	1.2
293.21237	2.3
311.22250	2.7
329.16415	6.9
329.23312	100.0
330.23688	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	329.2332
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
50.54489	0.6
51.91585	0.6
57.03337	0.7
71.34209	0.7
71.34551	0.7
71.98929	0.6
80.66497	0.6
83.04874	0.8
90.51976	0.7
99.08038	3.1
101.22924	0.6
125.09669	0.7
127.11166	1.4
139.11206	1.3
167.14249	1.1
171.10188	4.3
183.13835	3.9
192.24979	0.6
193.12331	1.1
209.11772	1.1
211.13333	21.2
212.13715	1.2
219.70856	0.6
229.14403	16.0
311.22186	0.8
329.23318	100.0
330.23712	8.9
353.74377	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15722	0.5
57.89329	0.5
59.01250	100.0
60.01598	1.1
70.35291	0.5
71.01238	0.7
71.57393	0.6
85.02795	0.7
87.25594	0.5
89.97403	0.5
165.12769	0.9
193.45508	0.4
197.02727	2.4
207.13902	1.2
209.11789	2.5
225.14911	80.0
226.15219	3.9
227.12784	0.6
241.13541	1.4
251.12753	0.6
252.08948	0.7
262.94998	0.6
267.11261	2.0
269.06830	0.6
269.13928	11.4
270.14401	1.0
287.15091	1.4
313.98923	1.5
329.01132	1.4
329.14468	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	329.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01579	1.0
71.58315	0.6
94.64423	0.6
95.32758	0.6
96.95896	0.5
101.02319	0.9
101.80296	0.5
105.61370	0.7
116.07088	1.2
117.07483	0.6
133.98352	0.5
135.74040	0.5
137.02399	0.6
151.13509	0.6
183.01152	1.3
197.02724	3.8
198.03654	0.6
207.13849	0.7
209.11856	2.0
225.14914	70.5
226.15231	4.2
227.12868	0.7
230.02644	0.6
234.31866	0.5
241.13457	1.2
267.11319	1.2
269.13934	9.6
287.15060	0.7
313.98856	3.0
329.01266	1.9
329.13925	9.8
330.14630	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22392	0.4
57.03309	2.0
57.76958	0.6
59.01247	5.1
63.31050	0.5
69.03329	2.6
71.01222	0.4
71.04890	1.6
71.38375	0.8
73.58667	0.5
78.58913	0.5
83.04896	1.3
84.07154	0.4
93.03336	20.4
97.06489	0.7
99.07999	0.6
109.06521	1.1
123.07223	0.5
123.08063	0.5
127.11182	1.9
129.92444	0.5
139.11180	1.5
149.09642	0.6
167.10669	3.9
171.10226	4.9
173.10553	0.5
179.10741	1.3
179.14334	3.6
183.13759	1.3
185.11563	0.5
192.99448	0.5
195.13835	10.9
201.11247	0.7
205.10530	0.8
205.12283	10.2
211.13312	2.4
223.13344	100.0
224.13708	4.1
229.14368	6.5
235.13367	3.0
277.88065	0.5
311.16608	0.9
311.22324	0.8
328.22156	0.7
329.14243	0.4
329.17575	13.0
329.23203	20.4
330.23575	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06142	3.5
56.82222	3.0
59.01245	14.8
66.92878	3.4
69.24534	26.9
69.24953	11.8
75.00785	3.3
84.79576	3.5
93.03312	5.8
119.04936	3.7
121.02873	4.9
123.04374	6.3
130.04137	15.3
131.04936	59.8
134.03639	55.3
149.05997	57.6
171.10196	5.8
176.93924	3.7
195.08179	4.5
209.58495	3.8
237.09319	5.5
239.10789	6.6
249.09091	5.3
255.09047	9.2
267.10245	100.0
268.10590	7.3
269.07144	8.1
269.10754	7.6
314.11304	4.1
329.13071	12.6
329.23386	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29102	8.9
55.36282	9.4
59.01249	59.5
62.63281	8.3
70.54698	20.8
70.55098	20.0
71.01244	10.9
78.95787	13.5
79.23586	8.3
92.08694	8.9
96.54166	10.1
101.02323	11.2
121.02889	11.5
123.04420	31.9
131.04916	23.3
134.03630	38.6
137.02371	18.0
149.05983	16.4
165.05493	13.4
171.10187	43.0
237.11578	11.4
267.10260	53.6
269.07065	100.0
281.08087	11.7
329.10068	45.2
329.22638	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	18.4
60.07169	2.2
65.03814	3.2
68.99680	2.4
71.01263	3.3
71.57542	2.9
76.87405	2.5
83.04901	2.6
85.02841	4.0
93.03341	66.7
94.03687	3.2
95.04939	3.2
101.02320	9.5
103.05361	3.8
106.04105	2.8
107.04877	4.5
108.02061	6.9
113.05917	3.3
117.03345	42.1
119.04926	11.4
121.02892	3.6
123.04429	9.2
130.04126	4.6
131.04907	14.3
132.05695	15.6
133.06485	21.9
135.04402	7.9
137.02336	62.1
137.03320	4.5
143.04921	9.0
146.03625	5.5
147.04411	7.9
159.04420	4.5
160.05241	6.9
161.05983	25.0
163.03912	3.7
165.05499	3.4
171.10133	4.5
173.05995	5.8
193.06450	2.7
194.07286	4.3
195.08072	55.7
196.08401	3.6
197.09642	9.1
207.08073	6.0
209.09724	25.6
209.11620	3.2
210.06796	22.6
211.07419	3.7
222.06911	4.5
223.07581	10.3
227.10782	4.2
235.07568	7.3
237.09154	30.5
237.11275	4.5
247.07664	3.7
249.09145	13.2
263.06973	2.3
267.10263	100.0
267.16055	4.5
268.10635	9.0
281.08136	5.1
285.17166	2.7
297.11316	74.2
298.11703	3.7
329.10480	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63601	2.4
59.01244	12.4
59.53599	2.5
79.49872	2.2
93.03363	6.8
93.91293	2.8
106.90878	2.6
114.95328	2.7
121.02835	10.5
123.04422	5.3
126.58117	2.4
130.04155	2.6
131.04939	5.1
147.08017	3.7
159.04416	2.8
160.05215	14.2
161.05968	24.2
175.07501	3.0
225.14912	5.5
237.09149	8.7
238.06139	2.8
247.07582	4.7
248.08266	9.0
249.09180	25.5
267.10266	100.0
268.10660	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	329.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08742	3.6
58.64834	4.0
59.01242	23.9
70.81963	8.3
70.82355	8.8
71.01254	6.6
78.95781	4.9
88.54472	3.8
93.03326	5.4
106.38763	4.4
121.02831	5.8
123.04423	6.4
130.04161	12.6
130.32185	3.5
131.04941	38.6
133.06519	5.1
134.03638	44.7
137.02339	6.9
143.04900	4.6
149.05971	42.6
154.05606	4.3
162.07118	4.6
238.09921	5.5
239.10657	10.4
267.10245	100.0
267.12930	8.5
268.10541	5.3
269.07419	5.7
269.10669	4.5
329.13718	6.5
329.19635	8.8
329.23291	6.1
329.91556	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	329.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	20.2
62.49768	3.4
66.67201	3.5
68.99693	5.3
71.57047	8.8
78.95785	7.1
82.85047	3.7
85.02842	3.6
88.69614	4.5
93.03337	90.7
103.05388	5.1
108.02027	8.6
117.03360	40.4
119.04870	9.1
122.62082	3.5
123.04411	10.1
131.03082	3.4
131.04893	13.2
135.04396	8.5
137.02304	5.0
143.04909	12.6
145.02867	4.5
146.03642	4.6
146.52513	4.3
146.91599	3.1
147.04416	12.4
149.05989	5.5
156.05684	5.8
161.05962	7.3
163.03873	5.5
166.97139	3.4
193.06474	6.0
194.07343	6.0
194.42670	3.4
195.08089	50.1
197.09642	23.4
207.08116	8.0
208.05219	3.8
209.09702	53.8
209.11612	4.2
210.06833	29.2
211.07605	9.8
219.08110	5.0
221.06055	3.5
222.06848	5.5
223.07616	26.0
225.09113	9.6
235.07663	15.0
236.08365	8.3
237.09149	41.1
240.07840	11.8
249.09105	15.0
267.10263	100.0
268.10611	5.2
269.10675	5.0
297.11304	98.7
298.11615	8.4
328.10962	4.4
329.11218	67.3
329.18051	6.0
329.19702	7.1
330.11801	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	329.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13102	0.4
59.01250	100.0
60.01589	1.0
64.11420	0.5
70.24136	1.6
71.01249	3.3
71.18144	0.5
73.02829	1.9
81.82088	0.4
83.01275	0.7
85.02818	2.5
85.46717	0.4
96.95875	0.4
99.00768	0.8
99.64188	0.5
101.02304	4.0
107.98014	0.5
113.02370	1.7
119.04954	1.5
135.04436	1.2
161.04500	4.1
163.03944	1.0
168.02950	0.6
195.53094	0.5
269.10275	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	329.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
70.88223	6.8
70.88551	4.0
71.01273	6.7
85.02846	5.0
93.03326	3.5
98.20463	3.1
101.02334	3.5
101.29781	3.0
105.07003	3.2
108.02015	4.9
119.04903	4.2
121.02831	3.6
130.08632	9.6
133.41643	3.2
135.04413	8.3
146.31146	3.7
158.04097	3.8
161.04471	3.4
163.03943	5.8
170.28575	3.0
209.11754	10.2
227.12904	4.2
236.26544	3.4
269.10376	7.2
281.08185	3.9
329.10257	4.8
329.23325	5.0
330.20184	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	329.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18669	4.0
59.01251	100.0
59.30784	4.9
59.78039	4.3
69.98682	27.2
93.03349	6.4
98.20508	6.3
109.02821	5.8
121.02866	11.6
123.04411	11.9
124.01593	5.5
136.01566	9.3
137.02350	30.0
139.80409	5.1
161.05846	5.8
163.03883	5.0
173.06104	5.8
182.63155	5.6
253.08560	6.7
269.07983	8.1
281.08102	16.3
311.09848	5.4
329.10202	25.9
330.10623	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1393
Annotation	Macquarimicin A
Peak:m/z	Relative Intensity
55.61997	0.4
59.01250	11.9
61.98697	0.5
69.42839	0.5
71.01263	0.8
71.57740	0.7
75.44565	0.4
83.04862	0.4
85.02818	0.7
85.06487	0.6
99.08054	1.3
101.02334	0.6
105.78294	0.4
123.58713	0.4
127.11166	1.1
129.09135	0.9
137.09535	0.5
139.11195	1.4
161.04478	0.6
171.10216	4.4
172.05185	4.2
172.10661	0.7
185.00749	1.4
196.70612	0.4
199.13374	1.5
200.04715	33.2
201.05209	1.6
201.11258	0.7
211.13336	2.8
213.05507	4.4
215.03432	0.5
215.12660	0.4
229.14354	2.4
232.03729	13.0
233.04109	0.5
255.10243	0.7
267.13870	2.0
283.13434	0.9
285.15091	2.4
311.12881	65.3
312.13242	5.7
317.08942	0.5
329.13876	100.0
329.23129	33.3
330.14258	8.7
330.23538	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1029
Annotation	Isoamericanol A
Peak:m/z	Relative Intensity
55.67407	5.2
57.28033	4.7
59.01249	8.7
70.44789	20.4
74.02372	6.2
85.02193	5.0
93.03342	21.6
97.02821	15.2
109.02838	22.4
119.04852	7.4
121.02827	25.0
124.01536	10.3
125.02319	30.6
131.04935	12.8
135.04372	10.0
137.02357	100.0
137.05957	10.4
137.30496	5.2
147.04431	5.5
152.99480	5.7
163.03857	7.0
175.07733	5.1
189.05545	11.8
193.05032	11.5
205.04994	6.8
239.06996	6.4
240.84950	5.2
241.08655	6.0
251.07056	5.4
253.08771	11.1
263.06918	7.2
269.07968	24.8
281.08185	49.0
293.08282	10.7
295.12924	15.3
297.26703	6.0
299.09259	46.4
311.09262	55.8
329.10306	69.9
329.19336	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1031
Annotation	Isoamericanol A
Peak:m/z	Relative Intensity
58.87132	1.1
59.01257	5.6
63.88773	1.3
67.01753	1.1
69.03344	6.3
71.01245	2.3
71.56279	2.4
78.95772	1.4
81.03335	2.4
83.01255	4.1
83.04921	2.1
83.92538	1.2
85.02829	3.1
93.03342	12.4
95.01267	4.5
95.04913	1.5
97.02835	10.3
98.20079	1.2
106.04060	1.4
108.02053	6.7
109.02835	15.0
112.38673	1.4
119.04922	9.3
121.02847	61.6
121.06524	1.4
122.03193	1.1
123.00774	14.7
123.04382	3.3
124.01559	71.4
125.02352	23.1
131.04903	3.3
132.05644	1.4
133.06496	3.1
135.04414	1.7
136.01553	1.5
137.02342	86.3
138.02661	1.7
139.03934	1.3
143.04907	4.9
145.06520	5.4
146.03633	2.0
147.04413	5.9
149.02330	3.7
149.05977	3.0
151.03912	4.3
153.01843	2.2
153.71217	1.1
158.03690	2.3
159.04410	4.9
160.05171	1.8
161.02333	2.3
161.05997	13.1
163.03914	3.9
171.04434	2.7
171.10194	4.0
173.06003	13.5
174.06306	2.1
175.03952	3.4
175.07576	1.7
177.05492	5.0
179.03362	2.1
189.05463	5.6
191.06874	1.4
192.04224	1.3
193.05074	1.6
201.05496	1.2
203.07144	1.7
205.05023	1.4
207.06503	3.1
211.13428	1.9
228.84889	1.2
235.06061	1.2
237.09102	2.1
251.07018	1.3
253.08725	2.8
267.10495	1.3
269.08258	16.3
271.09726	1.5
281.08197	7.2
283.09708	3.2
299.09274	6.9
311.09299	5.0
328.22125	2.9
329.10287	100.0
329.22977	7.1
330.10638	8.9
349.76614	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02954	0.3
58.42794	0.3
59.01243	0.8
61.75700	0.2
68.02409	3.5
70.33155	1.2
77.47172	0.3
81.95196	0.6
111.17573	0.3
123.96108	0.3
172.38062	0.3
176.45447	0.3
183.01073	0.4
184.01453	0.6
185.00613	7.6
186.01018	6.7
187.01804	0.9
197.02628	0.5
198.03154	1.5
199.02130	12.3
200.02573	16.0
201.03465	1.6
214.04178	0.8
218.00549	0.5
219.00835	0.6
228.05846	0.3
232.02077	1.4
233.02437	1.6
242.07338	0.4
257.70685	0.3
270.10590	0.3
284.12363	0.3
320.35483	0.3
328.18451	100.0
329.18573	4.4
334.37598	0.3
341.89301	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06738	0.5
56.01453	0.6
57.11629	0.6
59.01254	10.7
65.00197	0.7
71.01245	1.3
71.58537	0.9
85.02803	1.2
86.25117	0.5
96.95872	0.7
97.02829	0.9
101.02312	1.7
109.99986	1.4
121.05178	0.7
133.02876	1.1
134.00029	1.4
134.04201	0.7
136.07564	3.4
136.98601	0.7
138.05473	0.7
149.99527	0.8
150.11981	0.7
155.04951	0.7
162.05527	0.6
163.00313	0.7
165.01825	2.1
166.05008	2.7
171.04443	1.7
171.10229	0.8
187.03836	1.2
199.03928	6.0
201.01842	1.8
203.03296	0.7
215.03444	4.3
224.00351	0.6
225.01726	0.7
226.02719	1.5
227.03426	7.4
229.01424	0.8
229.14339	1.1
241.04906	1.2
241.09676	0.8
242.02162	7.6
243.02946	22.3
244.03311	1.1
255.02928	1.5
257.04507	6.6
258.05292	2.4
269.04520	1.6
270.01672	6.2
270.04468	0.9
271.02466	68.0
272.02774	4.5
283.02539	1.7
285.04083	12.0
286.04764	7.0
298.04709	0.8
299.01953	58.9
300.02267	4.3
301.07208	1.7
313.03485	1.3
314.04279	56.2
315.04596	3.7
329.06665	100.0
329.11264	14.0
329.23090	3.4
330.06934	6.8
330.11014	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1033
Annotation	Isoamericanol A
Peak:m/z	Relative Intensity
51.84082	2.3
53.02257	2.4
55.45119	2.3
55.69431	2.8
59.01256	20.7
66.32614	2.4
67.16589	2.6
67.48423	2.4
71.01249	4.7
71.57536	2.8
71.63315	2.1
77.56632	2.3
78.95784	3.7
80.42667	2.3
84.43136	3.0
85.02824	3.4
89.02297	4.2
89.48131	2.5
93.03333	9.8
97.83199	2.4
101.02309	3.1
104.59872	2.6
106.04081	5.3
107.04907	24.6
108.02067	8.9
109.02840	39.9
117.03352	3.5
119.04922	71.6
121.02827	16.3
121.90428	2.4
122.03596	3.2
123.00706	3.9
123.04421	15.3
124.01539	7.3
125.02363	14.6
130.04134	9.4
131.04028	3.1
131.04939	35.1
133.02861	4.1
134.03656	26.0
135.04413	100.0
135.05440	6.2
136.01553	7.1
136.04758	4.9
137.02289	5.8
139.03932	2.9
145.02791	3.5
146.03622	4.5
147.04422	5.7
149.02386	18.2
149.05975	33.1
150.03142	16.7
151.03905	19.4
161.02269	3.2
162.03079	3.9
163.03912	61.1
165.05499	17.5
179.03419	24.9
180.04109	5.2
207.08217	3.6
208.08841	8.4
209.09686	13.5
225.09384	3.0
233.24280	2.5
237.09155	30.8
237.11282	3.0
253.08638	5.4
269.08249	3.9
281.08188	80.0
282.08578	7.4
291.13318	2.8
299.09180	8.8
329.10440	24.9
329.16345	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	327.29
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
54.20115	0.7
59.01244	1.7
62.03641	0.8
68.02407	3.5
71.56997	1.3
75.55228	0.7
83.04918	1.0
93.92450	0.7
111.65219	0.9
140.00987	0.8
159.72586	0.7
167.78589	0.8
171.10237	0.9
183.00970	1.0
183.13715	0.8
185.00641	1.6
211.13394	1.8
229.14366	1.1
272.68048	0.9
273.79700	0.8
281.28488	1.7
292.21637	0.8
309.28140	1.3
325.27423	1.0
327.18201	5.9
327.21817	8.2
327.29031	100.0
328.18069	1.0
328.29333	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	328.0435
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94820	0.3
57.03326	1.3
57.25310	0.3
59.01247	1.8
63.98467	0.3
68.02408	100.0
69.02129	0.6
69.02723	1.4
69.03323	0.9
71.01237	0.3
71.04904	0.3
71.57569	0.5
73.02840	0.3
83.04898	0.6
85.02823	3.7
95.04893	0.4
97.02817	0.4
97.06452	1.6
99.08018	0.4
101.06011	0.3
109.06487	0.4
113.09595	0.4
115.07536	1.3
121.02849	1.4
122.03187	0.6
125.09634	1.0
127.11201	0.9
129.09250	0.3
132.87556	0.3
137.09618	1.1
139.11185	0.3
141.42651	0.3
152.08176	0.3
154.01215	0.3
155.10681	0.8
155.14247	0.3
161.06081	0.3
162.95282	0.9
165.12784	0.5
169.12312	0.6
171.10185	9.9
172.10519	1.9
177.93996	1.6
183.13843	1.6
184.14116	0.4
185.11713	1.9
193.12183	0.3
197.11784	1.1
199.13339	0.7
201.11269	1.4
207.17580	0.3
209.11734	0.6
211.13335	5.2
212.13670	1.3
221.11917	0.7
223.13249	0.3
227.12891	1.4
227.16612	0.4
229.14410	4.2
230.14743	0.9
239.12822	0.7
265.21655	0.4
269.96603	0.5
270.97177	0.4
287.22141	0.8
291.19778	1.6
291.22775	0.3
292.19995	0.7
309.20856	1.5
310.21216	0.5
327.21762	32.6
327.25284	2.3
328.09097	0.4
328.22089	17.6
328.25436	0.7
329.23251	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	328.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33877	0.8
59.01256	3.7
66.78030	0.7
68.02365	0.9
75.19789	0.7
79.63984	0.7
83.04935	0.8
84.04421	6.5
85.02820	1.3
92.13044	0.8
97.02863	4.5
98.02396	0.8
98.19823	3.8
98.20567	3.5
99.00785	2.0
102.05486	56.5
109.06493	1.1
125.09584	1.7
129.63297	0.7
131.94203	0.7
136.05148	1.3
140.07054	0.8
142.02562	1.1
163.11205	6.3
181.10744	1.5
181.12244	13.5
207.10208	37.4
208.10515	1.3
224.12871	3.5
225.11285	50.4
226.11594	2.5
230.54204	1.3
310.16647	3.2
313.98782	1.4
328.17636	100.0
329.01215	1.0
329.14386	1.2
329.17935	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	328.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33877	0.8
59.01256	3.7
66.78030	0.7
68.02365	0.9
75.19789	0.7
79.63984	0.7
83.04935	0.8
84.04421	6.5
85.02820	1.3
92.13044	0.8
97.02863	4.5
98.02396	0.8
98.19823	3.8
98.20567	3.5
99.00785	2.0
102.05486	56.5
109.06493	1.1
125.09584	1.7
129.63297	0.7
131.94203	0.7
136.05148	1.3
140.07054	0.8
142.02562	1.1
163.11205	6.3
181.10744	1.5
181.12244	13.5
207.10208	37.4
208.10515	1.3
224.12871	3.5
225.11285	50.4
226.11594	2.5
230.54204	1.3
310.16647	3.2
313.98782	1.4
328.17636	100.0
329.01215	1.0
329.14386	1.2
329.17935	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	327.2177
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
55.01743	0.6
56.23140	0.7
57.03327	5.3
59.01257	0.8
68.02403	0.8
69.03323	1.9
69.53390	3.7
69.53801	1.2
70.00650	0.6
71.04848	0.6
73.02824	1.3
77.89940	0.8
79.45577	0.6
80.02549	0.6
84.02042	0.6
85.02832	7.2
89.15852	0.7
95.04936	0.9
97.06467	2.4
99.08012	1.1
101.13892	0.8
113.09599	2.2
115.07549	4.4
123.08038	0.8
125.09620	4.5
127.11192	2.2
129.09155	1.2
137.09625	2.6
139.11163	1.0
143.10696	1.8
153.12778	2.4
155.10712	1.8
163.11246	0.8
165.12776	0.9
171.10184	20.2
172.10516	1.4
172.73346	0.7
181.12309	1.0
183.13858	3.0
185.11710	1.1
197.10155	0.7
197.11798	2.6
199.00505	1.1
199.13344	2.5
201.11264	3.0
209.11993	1.0
211.13353	9.5
213.11162	1.6
215.12822	1.9
221.11862	1.2
227.12846	8.0
229.14395	7.9
239.12769	0.9
269.12186	2.7
291.19666	2.1
299.21973	1.0
309.20767	4.6
327.21774	100.0
328.22089	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.8
58.00481	0.7
59.01247	3.2
70.01630	3.0
71.01263	1.8
71.04892	0.6
79.74585	0.6
81.46633	0.6
83.04911	0.7
85.02821	1.7
97.02844	0.7
97.06480	1.9
103.50385	0.6
109.06480	0.7
110.03610	0.9
111.08047	6.7
125.09600	1.4
137.09584	0.7
155.10681	1.0
163.75557	0.6
169.12282	3.6
171.10161	5.0
183.01120	2.5
183.13838	1.3
185.11760	5.0
192.85721	0.6
197.02728	4.7
197.11766	25.9
197.58211	0.6
198.03293	1.0
198.12077	1.0
199.13327	3.6
209.11787	2.2
211.13341	5.5
221.11758	2.6
227.12852	1.0
229.14415	1.5
239.12848	2.1
245.06731	0.6
247.20680	0.6
251.16708	0.8
273.18857	0.6
276.21793	0.5
291.19672	3.8
309.20740	5.4
310.21252	0.7
327.16455	15.6
327.21759	100.0
328.16751	1.4
328.22067	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
52.49328	1.4
55.68078	1.4
58.00447	1.6
59.01250	3.2
68.13446	1.5
70.65411	4.7
80.32103	1.4
83.04890	1.8
99.08015	4.1
100.61051	1.6
111.08044	1.8
113.09594	2.6
116.26901	1.4
125.09559	2.4
127.07538	4.3
129.09111	29.0
141.09123	11.8
157.08614	2.4
163.11180	3.1
165.12779	2.5
165.15369	1.3
167.10695	4.9
171.10138	1.8
181.12196	2.5
185.11755	41.2
185.13423	2.2
197.11761	46.5
198.12126	2.2
199.13150	1.6
209.11772	33.1
227.12994	2.8
247.20755	1.6
282.86273	1.5
291.19598	9.6
309.20804	15.5
327.21753	100.0
328.22122	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	327.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	4.0
59.01261	5.5
69.03316	2.6
71.06821	2.5
73.28546	1.0
80.93905	1.1
83.04888	1.1
87.04386	4.3
94.26311	1.2
109.06587	1.3
113.09573	1.3
125.09566	1.4
137.09621	4.6
147.79729	1.1
154.41765	0.9
155.58890	1.0
161.95573	1.1
165.12752	1.1
167.10677	7.3
169.12228	1.3
171.10187	15.2
179.10635	1.9
179.14340	1.2
181.12196	2.7
182.86000	1.2
185.11717	4.3
195.13809	3.6
197.11761	10.4
201.11255	5.4
209.11786	11.1
221.11943	1.2
221.15399	3.6
227.12914	1.3
239.12907	2.3
239.16490	35.7
240.16914	2.2
277.00018	1.0
291.19629	12.9
309.20709	9.1
327.21777	100.0
328.22144	5.4
347.97888	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39187	0.3
57.03318	1.3
58.00463	1.4
59.01250	2.4
61.63426	0.3
69.03314	1.0
69.42845	3.1
71.01256	0.5
72.99192	0.5
73.02793	0.3
73.87134	0.3
84.74670	0.3
85.02840	0.5
87.04385	1.4
95.04913	0.3
97.06474	1.4
98.20552	0.6
109.06512	0.6
111.08050	6.0
119.08588	0.8
123.08036	0.3
125.09622	0.8
127.07554	1.0
127.11152	0.5
137.09622	3.1
153.12770	0.5
165.12805	0.4
169.12267	3.5
171.10194	9.5
172.10545	0.5
177.12778	0.4
179.10736	0.4
181.12256	1.5
183.13795	0.8
185.11743	1.8
193.12230	0.3
195.13867	1.2
197.11771	29.1
198.12090	1.5
199.13341	5.0
201.11256	2.3
202.74141	0.4
209.11728	0.8
211.13361	4.2
221.11919	0.7
221.15456	1.1
229.14391	1.0
233.15482	0.5
239.12817	0.7
239.16507	10.0
240.16882	1.1
249.09109	0.5
250.42537	0.4
263.20190	0.4
273.18732	0.7
291.19678	4.0
292.19867	0.6
309.20724	4.7
310.21063	0.3
327.21759	100.0
328.22104	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	327.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77011	0.7
53.02404	0.5
56.42863	0.5
56.69604	0.6
57.03309	2.5
64.46039	0.5
69.03325	1.7
71.04118	1.5
80.97282	0.6
83.04855	0.9
83.64090	0.5
85.02825	6.7
97.02837	1.2
97.06451	3.0
110.14922	0.6
125.09598	1.1
127.11160	1.4
137.09628	2.7
141.23170	0.6
143.53349	0.5
155.10730	0.8
155.14378	0.7
167.14297	0.7
171.10178	18.8
177.12814	0.9
183.13824	3.1
185.11612	0.7
211.13335	13.5
221.11786	1.3
229.14369	8.5
230.14952	0.7
230.92215	0.6
239.12883	1.3
291.19638	2.7
309.20596	1.6
327.21750	100.0
328.22150	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	327.2177
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
53.57639	0.4
56.58859	0.4
59.01241	2.0
59.22194	0.4
61.30941	0.4
68.02398	0.5
71.01250	1.3
71.04894	2.3
71.57522	0.8
78.66045	0.4
79.95601	1.8
80.96391	2.5
81.95184	0.9
82.95975	1.4
83.04899	0.5
85.02845	1.1
93.03345	0.7
93.06981	0.8
97.06469	1.2
100.41300	0.4
102.29395	0.4
111.08031	7.1
113.92415	1.9
114.93204	1.6
115.07415	0.5
119.08559	5.9
121.02860	0.8
121.06372	0.4
121.10123	0.7
125.09589	0.9
127.11159	0.7
135.04404	0.5
137.00491	0.7
137.09608	4.2
139.00101	0.5
145.23300	0.4
147.04425	0.5
149.02335	4.0
156.25481	0.4
158.99817	0.5
164.04695	0.8
165.09116	0.5
171.10184	26.9
172.10542	0.9
181.12282	1.1
185.11812	0.6
189.01935	0.4
193.12302	1.3
197.02786	0.4
197.11777	0.8
209.11731	1.2
211.04387	0.4
211.13293	1.5
213.06192	0.4
219.96588	0.7
221.19075	0.7
225.11481	0.5
229.14345	0.7
235.16910	1.1
237.18541	6.4
247.17009	2.8
247.20738	0.7
249.11000	0.6
255.19562	0.9
263.20157	1.1
265.18069	12.0
266.18326	0.8
273.18616	11.7
274.19043	0.7
283.19141	17.7
284.19562	1.4
291.19653	5.7
297.07831	0.5
309.15005	1.0
309.20721	8.6
312.10104	1.0
327.01849	1.3
327.13242	3.9
327.21759	100.0
328.13235	0.5
328.22083	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	327.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05991	0.4
57.03317	1.2
69.03335	0.6
69.27770	6.0
71.01254	0.7
83.04902	0.8
85.02826	4.1
95.04893	1.6
97.06467	6.2
99.16114	0.5
107.43333	0.5
107.90119	0.6
125.09607	1.3
127.11145	1.4
138.47166	0.5
155.10600	0.6
155.14270	0.6
162.28313	0.5
165.12682	1.3
167.14314	1.5
171.10184	7.9
177.12767	1.1
180.56963	0.5
181.12369	0.5
183.13860	4.9
185.11687	1.6
193.12262	1.8
209.11740	1.6
211.13342	23.2
212.13640	1.6
221.11734	3.4
227.12984	0.6
229.14424	14.0
230.14786	1.3
239.12894	2.0
247.20601	0.8
257.13934	0.6
291.19632	3.6
295.18332	0.6
309.20660	1.9
327.21759	100.0
328.18399	0.4
328.22079	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	327.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04074	1.0
54.13345	1.0
71.01250	1.5
83.04863	1.5
83.32446	1.1
85.02815	5.9
97.06476	5.6
110.03599	1.3
125.09626	1.9
127.11195	1.1
137.09573	1.1
155.14326	1.4
171.10184	10.9
183.13843	4.5
185.11789	1.5
192.05968	1.1
193.12274	2.5
209.11714	2.4
211.13342	27.0
212.13773	1.5
217.74730	1.2
221.11726	4.2
229.14400	14.4
239.12842	2.2
291.19653	3.1
309.20694	1.6
327.21765	100.0
328.22018	6.6
344.83820	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72003	0.9
53.97891	0.8
59.01242	0.9
62.78551	0.9
69.03308	1.1
70.69408	1.8
70.69741	1.9
73.02811	2.7
85.02819	1.5
97.06470	2.7
98.03623	1.1
98.19945	1.0
99.08042	1.9
112.05173	2.1
115.07544	2.0
125.09645	1.5
127.07534	3.2
127.11174	0.9
129.09103	25.4
137.09599	1.2
141.09114	11.2
155.10678	21.1
171.10179	19.2
183.01199	1.6
183.13782	1.2
185.11751	38.6
186.12086	1.2
197.11771	29.3
198.12053	2.1
209.11775	5.3
211.13347	3.4
229.14467	1.8
243.43547	1.1
247.20525	1.5
291.19702	10.5
292.19647	0.9
299.22293	1.1
309.20709	26.1
310.21210	1.7
327.21750	100.0
328.22101	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	327.2176
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03322	0.9
59.01244	1.7
61.09855	0.4
62.83207	0.5
65.31202	0.5
65.49072	0.5
69.03316	0.6
69.45428	4.1
71.01257	1.7
71.04893	1.9
76.75531	0.5
79.95618	0.6
80.96393	1.2
81.95185	0.7
82.95971	0.9
83.04905	0.8
85.02821	2.2
85.37734	0.5
93.03343	0.7
93.06953	0.8
97.06469	2.7
98.19854	1.2
98.20505	0.8
109.06519	0.5
111.08064	5.6
113.92417	0.6
116.92825	0.6
119.08569	5.0
121.02841	0.6
125.09584	0.7
127.11143	0.6
133.91789	0.6
137.00560	0.7
137.09604	3.6
145.02809	0.8
145.06508	1.3
150.03105	0.6
163.11221	0.5
171.10188	24.9
172.10515	1.1
173.06001	1.5
181.12227	1.4
183.13855	1.7
185.11763	2.1
191.07069	1.2
193.12251	0.9
197.11729	1.0
207.10172	0.5
209.11821	1.3
210.12274	0.5
211.13327	7.0
221.11926	0.7
227.12839	0.7
229.14420	3.4
229.19580	0.6
235.16881	0.9
237.18565	5.8
239.12730	0.8
247.17061	2.3
249.10979	0.7
263.20233	1.2
265.18088	11.1
266.18530	1.0
273.18619	8.8
274.18936	1.1
283.19107	13.0
284.19437	0.7
291.19678	6.0
292.20001	0.6
309.15048	0.6
309.20697	9.0
310.20938	0.6
327.21765	100.0
328.18201	0.8
328.22058	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	9.0
59.01254	100.0
60.99930	1.4
69.03333	1.6
70.45361	1.7
71.01256	3.5
71.57948	1.9
74.13605	1.9
85.02847	3.2
93.03350	2.7
96.95860	1.8
101.02296	2.0
108.02081	2.1
109.06441	1.4
119.04881	2.8
121.02844	8.6
122.45098	1.7
125.09685	1.7
136.01524	4.4
137.09612	3.0
146.20268	1.6
147.04439	1.9
151.03885	4.5
171.10234	2.2
179.10672	3.0
192.11443	3.6
205.12242	3.0
207.13838	29.3
221.11751	2.1
237.05547	2.8
251.07098	5.6
253.08691	2.6
265.04990	2.3
279.06464	3.0
297.07657	4.7
299.09143	2.4
309.07605	2.0
327.05240	3.3
327.08731	20.6
327.12100	2.7
327.21640	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	327.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28551	1.9
57.02133	2.3
57.03334	2.6
59.01250	5.7
60.40645	2.1
64.18953	1.9
65.27747	1.6
69.57125	15.7
70.80211	1.8
71.01259	2.2
75.00755	5.3
78.95795	2.4
93.03337	75.8
96.00780	5.4
98.19791	2.4
109.97333	2.1
113.03510	1.9
114.01857	4.6
121.02831	3.4
134.03624	8.2
135.04401	7.5
145.02809	2.1
145.06493	2.8
146.03619	2.4
147.04425	5.8
148.05186	9.9
149.05960	5.3
150.03081	1.9
158.03600	3.9
159.04443	17.5
160.05217	25.9
161.02417	2.5
161.05917	5.6
162.03139	6.4
171.04474	2.2
171.10165	4.9
173.05978	2.8
174.03151	9.0
175.07565	8.0
176.04688	5.3
177.05486	59.2
178.06270	19.4
187.03937	21.6
188.04692	21.5
191.07066	28.4
192.04146	2.6
192.07840	5.1
199.73837	2.1
201.05646	2.5
203.07079	100.0
204.07425	5.6
206.05792	14.4
209.11752	2.5
210.05217	8.8
220.07320	1.9
221.08145	40.2
224.06812	9.1
229.14354	14.6
235.13374	2.7
247.07635	2.1
253.08087	2.4
265.07428	14.4
266.09357	7.4
267.09152	23.3
269.11926	2.1
275.07129	2.8
276.07916	7.0
279.10483	2.8
281.08151	2.3
281.11697	4.0
283.09711	4.9
291.10217	4.1
294.09216	2.6
297.11252	7.6
309.11334	37.6
309.17026	2.4
311.08078	7.4
327.11807	16.7
327.18274	2.5
327.21826	23.6
328.13086	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	327.1085
Annotation	Paeonoside
Peak:m/z	Relative Intensity
50.20367	1.8
57.50293	1.6
59.01246	16.6
60.52797	1.7
63.18652	1.5
63.90939	1.6
71.01268	2.2
71.56699	3.1
93.03326	5.1
120.31425	1.7
121.06510	5.3
137.91229	1.8
147.04443	2.7
165.05489	100.0
166.05804	5.1
191.71725	1.9
217.42433	1.9
327.21481	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	327.1087
Annotation	Androsin
Peak:m/z	Relative Intensity
58.00471	3.3
59.01253	40.1
71.01257	35.3
71.34494	3.6
71.34823	2.2
73.02807	4.3
83.01267	4.7
85.02829	6.2
87.00758	12.2
89.02313	26.1
93.03347	6.5
101.02304	19.8
107.04942	4.6
108.02051	6.2
108.43832	1.9
109.02847	4.0
113.02338	16.0
119.03454	15.6
119.04917	49.2
121.02805	2.4
135.04411	22.4
143.03436	2.3
146.03665	5.4
146.58833	2.0
147.04431	100.0
148.04753	2.9
160.95427	2.1
161.04401	2.9
163.04013	2.1
164.04683	2.4
165.05496	43.8
167.06985	2.1
179.05498	5.2
181.17896	2.3
327.10867	25.6
327.21594	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	327.1236
Annotation	Casuarinondiol
Peak:m/z	Relative Intensity
59.01242	1.8
68.02421	1.2
71.57224	0.6
71.57642	0.9
71.78674	0.6
85.02847	0.8
93.03334	2.7
109.02850	1.8
114.51034	0.7
117.03365	0.8
119.04908	2.6
120.05260	1.1
121.02838	19.9
123.04388	3.3
128.03415	0.9
133.02820	0.7
135.04404	1.9
136.01581	0.9
145.02887	2.0
147.04420	5.4
151.03915	1.7
158.03625	1.7
159.04430	1.6
163.03915	2.9
175.03905	17.3
176.04427	0.9
183.01178	1.9
187.03949	1.0
188.04651	0.7
189.05403	0.7
190.06250	5.0
193.06688	0.8
195.04427	0.8
195.08049	1.3
196.05258	1.2
197.06107	1.1
199.58298	0.6
203.07068	1.9
205.06606	1.2
207.08185	0.9
209.06058	2.4
211.03972	1.0
211.07646	2.4
212.04683	0.8
213.05421	0.9
221.06039	2.1
222.05095	6.7
222.07140	1.5
223.07585	4.6
223.09489	0.9
224.04764	0.7
225.05539	2.2
225.09148	1.2
233.06050	4.4
234.06696	0.8
235.04036	1.1
235.07619	1.7
236.04631	1.0
237.05542	2.2
238.06302	0.8
239.07066	7.1
240.04149	1.2
240.07826	1.5
240.76729	0.6
241.05038	1.6
241.08684	1.7
249.05463	3.2
250.06345	2.9
251.07089	9.6
252.07829	1.6
253.05014	0.7
253.08649	1.4
254.05843	2.3
256.07547	0.7
261.05560	5.3
262.06262	1.8
263.07059	2.0
264.04184	1.1
265.04941	1.0
265.08774	0.8
266.05746	0.9
267.06601	9.0
268.07379	3.5
269.08173	18.0
270.08502	0.7
277.05151	0.7
278.05881	2.0
278.09448	2.7
279.06613	18.6
280.07199	2.2
281.08319	1.0
282.08932	2.1
283.09628	4.1
293.08267	0.9
294.09000	7.9
295.06250	1.1
295.09531	1.6
296.06976	2.3
297.07693	76.9
297.11185	6.2
298.08096	4.9
309.11295	30.1
310.11737	2.6
311.09128	3.4
312.10025	59.8
313.10400	3.8
327.12387	100.0
328.12665	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51048	2.9
59.01248	100.0
61.10508	3.0
65.33765	2.7
68.02421	7.5
71.01255	36.9
71.57022	5.3
72.99216	3.7
73.02810	49.1
81.97060	2.6
83.01234	13.8
84.16458	3.0
85.02834	5.5
89.02332	6.0
101.02308	38.4
112.85101	2.8
113.02335	12.1
121.02834	4.0
125.29832	3.7
134.18021	3.7
143.03406	4.1
146.04819	3.6
149.02328	17.6
149.04489	3.3
161.04485	9.7
164.04715	4.9
223.84541	3.1
268.96320	3.3
312.09961	4.7
327.21426	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	327.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	2.5
57.03319	1.7
58.00456	4.8
59.01252	39.1
63.76623	1.0
70.35808	1.1
70.77694	3.2
71.01254	36.1
72.99180	1.8
73.02824	3.2
75.00739	2.0
76.94040	1.1
83.01274	3.0
85.02814	10.4
87.00748	10.2
89.02322	30.9
93.03338	3.7
95.01254	2.5
99.00757	2.6
101.02320	24.6
106.04133	1.3
107.04916	7.0
108.02043	8.2
109.02849	5.0
113.02332	13.2
119.03425	16.3
119.04916	49.1
120.05314	1.1
121.02827	5.1
123.04403	1.1
134.03545	1.3
135.04408	24.0
136.04684	1.6
137.05994	2.5
143.03349	2.3
146.03625	7.9
147.04424	100.0
148.04778	4.2
161.04535	2.7
163.03833	1.3
164.04544	2.1
165.05481	45.9
166.05853	2.2
166.76410	1.1
167.07047	1.3
172.90286	1.2
177.05542	1.1
179.05501	4.6
205.62650	1.3
237.07640	1.4
280.05280	1.5
327.10803	22.6
327.21500	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	327.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17923	1.6
57.16276	1.6
59.01248	100.0
69.44411	13.7
71.01248	32.5
73.02814	46.7
83.01243	10.7
85.02829	5.9
87.00732	3.8
89.02306	8.6
93.03341	3.3
99.00758	2.0
101.02315	44.7
105.03341	2.3
107.04875	2.5
113.02328	12.6
119.03330	1.9
119.04910	4.2
121.02869	5.0
123.04402	75.0
123.05292	3.8
125.02369	2.2
127.05055	1.8
131.03409	2.2
143.03409	3.9
147.04422	8.4
149.04491	3.3
149.06000	3.4
160.84206	2.1
161.04498	8.5
165.05490	3.7
173.05983	3.3
267.08725	28.8
285.09787	44.8
286.10089	4.2
327.10907	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	325.2021
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
51.24567	0.5
57.03328	3.3
59.01246	1.9
65.97197	0.5
69.03332	0.8
71.04896	5.5
71.12958	0.7
71.13278	0.9
72.99189	1.0
78.68684	0.5
79.62989	0.5
80.02570	0.5
80.29514	0.5
83.04900	1.6
85.02807	0.9
93.03339	2.4
93.06992	1.6
95.04913	1.7
97.06470	2.1
106.04099	0.9
109.06486	2.0
111.04421	1.6
111.08065	1.4
119.08556	3.8
121.06492	1.7
121.09267	0.8
121.10128	10.7
123.04398	0.9
123.08050	1.7
125.09592	1.4
127.11163	1.5
130.08621	1.7
135.08049	2.1
137.09618	6.0
141.09151	0.9
151.11189	0.9
153.09142	1.6
155.10693	4.8
161.98915	0.5
162.18376	0.6
165.12822	0.9
171.10193	5.4
173.78818	0.5
185.11751	1.8
187.09705	2.2
199.17845	0.5
203.14401	0.6
209.11790	2.1
211.13365	0.8
221.15405	3.6
232.07689	5.0
243.17397	0.9
245.19109	1.7
249.14951	2.3
261.18570	4.9
263.16455	1.0
267.15927	2.3
271.17029	0.9
289.18103	17.0
290.18369	0.9
307.19159	9.9
325.20193	100.0
326.11884	8.0
326.16919	0.7
326.20505	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	326.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66106	2.4
59.01235	5.3
70.74174	2.5
71.34079	5.8
106.28453	2.5
117.00393	2.5
134.04622	100.0
135.04898	2.5
160.37666	2.0
168.20789	2.3
168.73451	2.4
176.07079	3.1
184.96068	2.1
266.08716	5.0
326.13867	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	327.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48775	1.2
59.01250	100.0
69.03335	2.2
71.01256	42.0
71.45615	2.6
72.99160	1.3
73.02818	61.3
83.01261	13.5
85.02840	3.3
89.02339	6.6
91.05276	1.4
95.01277	1.8
101.02322	45.6
101.02996	2.3
101.77596	1.3
112.49033	1.5
113.02328	14.1
119.03381	4.1
123.04422	1.7
125.02360	1.7
131.03409	5.5
143.03403	3.8
149.02446	1.5
149.04445	5.9
155.03430	1.8
161.04460	11.2
163.52972	1.5
212.12613	1.5
221.06665	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66106	1.7
53.82072	2.0
57.03319	3.3
59.01249	2.8
69.03316	2.6
70.92773	4.3
71.01247	2.5
71.04887	4.9
78.20720	2.1
83.04881	1.8
90.50189	1.9
97.06504	3.7
99.04386	8.2
109.06492	2.9
111.08039	6.5
115.07539	2.1
129.20769	2.1
153.12680	3.0
181.12181	2.3
185.13924	2.1
191.03094	2.3
195.13808	4.8
197.11674	2.4
199.13354	2.3
207.17479	3.5
209.11874	2.3
213.11292	15.6
215.12906	3.8
223.16998	9.1
225.14906	8.8
227.12871	9.0
229.14394	4.4
233.15425	7.1
237.14989	3.3
251.16510	61.0
252.16728	3.4
289.18076	11.0
307.19147	10.3
325.20200	100.0
326.20477	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	325.2021
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
57.03315	5.3
59.01255	2.7
59.52367	1.6
65.55291	1.5
69.03343	1.6
69.87305	4.1
69.87700	3.1
71.04905	6.0
73.02799	1.4
74.91783	1.3
81.03319	1.7
83.04891	2.8
85.06475	3.1
90.07997	1.7
97.06470	14.1
98.19890	2.9
106.04144	8.1
109.06477	6.9
111.08049	1.8
121.10165	7.9
123.04419	2.5
123.08054	21.8
124.05106	1.9
135.08061	25.0
137.09619	5.9
139.07567	1.7
149.09634	5.2
153.09151	3.3
155.10712	5.7
157.36852	1.6
171.10213	21.3
183.13808	1.7
185.11797	10.5
187.09830	1.9
197.11765	2.5
207.14229	1.6
209.11809	1.6
221.15361	3.1
245.19080	6.2
261.18613	4.7
265.17902	1.9
289.18109	81.3
290.18375	5.5
307.19165	25.0
308.19537	3.3
325.20209	100.0
326.20477	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	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	9.5
59.01249	17.5
60.03982	2.7
69.03311	9.0
69.24802	36.0
70.77033	3.0
71.01221	3.5
71.04874	6.2
83.04890	12.1
85.06472	3.0
90.77915	2.7
95.04889	5.8
97.02822	5.8
97.06459	11.2
97.69840	2.5
99.04330	3.8
107.85904	3.0
109.06487	13.4
111.04340	3.7
111.08038	5.5
112.57964	2.8
119.08587	2.9
123.08022	5.9
129.60336	3.0
132.74411	2.9
138.66876	3.3
153.09117	4.2
155.10664	3.2
165.12752	3.7
169.12273	4.1
171.10143	8.7
179.10623	4.2
181.12305	3.3
182.74825	2.7
185.11708	5.9
195.13800	10.2
197.11780	20.1
207.13852	12.5
209.11818	6.0
209.15465	3.6
211.13316	17.0
213.11365	3.4
217.06032	2.8
219.14041	3.0
221.15421	3.3
223.13290	12.9
225.14847	21.5
233.11429	3.4
235.13504	3.1
237.14948	48.4
239.16373	8.7
249.15009	9.3
267.16129	7.7
289.18146	27.7
307.19177	10.6
325.20209	100.0
326.20660	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	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	5.0
59.01249	5.8
67.12234	1.7
69.03326	3.3
69.98615	1.3
71.01242	2.6
71.04883	9.9
71.13103	2.3
71.13451	2.3
83.04910	7.0
85.06470	4.0
86.79204	1.7
87.04379	4.0
97.02821	4.5
97.06458	5.6
109.06467	19.9
111.08067	2.7
123.08079	2.6
125.05985	2.5
125.09574	2.4
127.07541	3.0
137.09644	2.1
153.09207	1.4
169.12230	4.4
171.10184	3.6
175.41185	1.4
177.57150	1.8
179.14322	2.5
181.12283	4.3
183.01143	2.3
183.10149	2.0
183.13780	1.7
185.11696	3.2
193.12256	2.7
197.02658	2.1
197.11752	39.9
197.13539	3.1
198.12070	1.8
199.13332	3.5
207.13870	3.6
209.11728	4.6
209.15376	2.0
211.13316	19.8
213.11235	1.9
221.15359	2.8
223.13307	3.4
225.14926	5.7
235.13373	3.4
237.14850	9.0
249.14888	4.5
253.14194	1.5
263.88068	1.7
267.15958	6.5
269.55054	1.8
273.16360	1.6
289.18314	7.4
307.19193	13.4
325.14520	5.3
325.20187	100.0
326.20596	5.9
342.20926	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	325.2021
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
55.01778	1.0
57.03316	4.2
59.01242	3.7
63.61095	1.1
68.02412	5.6
69.03318	7.0
70.54890	3.4
71.01240	1.6
71.04894	1.6
72.99180	1.0
73.02825	1.5
79.95642	1.1
80.02560	3.3
81.03318	4.0
83.04893	20.4
85.59647	1.0
97.06464	4.5
98.03609	2.3
98.19923	1.3
109.06478	2.0
111.08020	3.7
113.09563	2.0
115.07555	4.8
123.04430	1.2
123.08055	5.2
125.09596	3.5
127.07564	1.3
127.11174	5.7
127.46454	0.9
128.99127	1.8
131.01271	1.0
132.64220	0.9
135.07999	2.6
137.09616	6.8
139.07593	2.5
139.11179	15.2
141.09096	1.7
149.09612	2.7
151.07457	1.2
151.11182	1.4
153.09003	1.3
155.10645	6.1
155.14284	1.1
156.96886	1.7
158.96535	1.9
161.09621	1.7
163.11185	6.8
165.12766	11.9
166.09773	3.5
167.10667	1.4
171.10216	2.6
178.09937	5.0
179.10706	9.5
180.62300	1.1
181.12259	4.0
183.01099	9.2
183.13925	5.1
184.01840	1.7
185.11736	2.0
191.10701	1.6
193.18294	0.9
195.10196	6.8
197.02698	18.1
197.11751	1.2
198.03395	2.7
199.13297	3.5
200.08366	1.2
207.10184	4.5
209.11765	61.3
210.12044	3.5
225.11208	10.7
227.12862	4.8
229.14241	1.1
230.02515	3.5
236.10490	1.2
245.19093	1.7
253.18230	1.5
261.18588	6.2
263.20111	2.2
273.92938	1.0
279.19620	8.5
281.21194	4.0
289.18158	4.5
293.20224	3.0
297.20715	1.4
307.19141	74.6
308.19449	4.9
325.18604	100.0
326.18948	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	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34606	1.0
55.01740	1.0
57.03307	3.8
65.58260	1.5
69.03319	4.4
69.26907	12.6
71.04887	7.9
72.99196	1.7
77.38984	1.0
80.31485	1.0
83.04887	2.4
85.06447	1.2
87.04398	1.5
89.35651	1.1
94.11054	1.0
97.06480	3.8
97.76880	1.0
109.06443	1.5
123.07991	1.6
124.01567	1.1
125.09628	1.4
133.10136	1.7
147.11678	2.4
165.12791	1.9
167.93974	1.0
171.10194	3.2
177.12761	1.2
190.34561	1.1
193.12303	2.1
197.11723	2.3
209.11812	5.0
211.13420	1.2
221.15433	9.2
237.14897	4.2
249.14902	2.3
261.18594	1.6
267.16013	20.1
278.86325	1.2
289.18008	3.1
307.19141	10.7
325.20187	100.0
326.20422	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	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25119	1.5
57.03316	6.9
59.01235	5.7
64.59630	1.6
69.03315	5.4
69.85743	9.2
71.01240	2.0
71.04896	9.3
74.31274	1.5
80.69513	1.6
81.03335	2.2
83.04882	6.3
85.02859	1.7
92.75598	1.6
95.04861	2.9
97.02836	4.7
97.06469	3.9
98.20498	2.2
99.04399	7.9
101.05982	3.3
101.29738	1.7
106.04089	2.3
107.04858	2.9
109.06480	16.0
111.08036	3.4
117.35343	1.5
123.08041	4.2
125.06007	2.3
125.09542	2.0
127.07503	2.5
127.31621	1.6
167.10632	1.7
169.12248	3.3
171.10191	3.2
181.12280	4.3
182.90100	1.8
183.13724	2.5
185.11795	1.7
193.12163	1.5
195.13815	2.7
197.11778	24.1
199.13451	1.6
201.11227	9.4
203.85072	1.6
207.13806	2.8
209.11789	3.9
209.15407	3.8
211.13339	13.8
213.11346	2.6
219.13835	2.7
222.21107	1.7
225.14900	13.4
227.12833	2.0
233.11301	1.7
235.13416	4.9
237.14931	21.5
249.14993	4.0
253.14401	5.6
265.50543	1.7
267.15942	3.1
289.18042	13.9
307.19205	7.7
325.20193	100.0
326.20654	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	325.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.1
59.01240	2.3
68.02406	42.3
69.64266	7.7
71.04885	1.9
76.17112	1.0
79.95638	1.8
80.02558	2.2
81.10631	1.0
83.04871	6.5
84.02078	2.4
84.11906	1.2
95.04937	1.7
97.06437	2.1
98.19913	2.4
99.49773	1.2
101.18669	1.1
112.06529	1.2
115.07540	6.7
122.82041	1.0
125.06072	1.8
125.09621	16.5
127.11200	2.3
137.09619	11.4
137.35614	1.2
138.42551	1.1
153.12810	1.7
155.10670	9.4
163.11226	5.1
165.12816	2.6
171.10208	2.9
178.09937	4.3
181.12279	1.8
183.01207	2.7
191.10693	2.6
197.02699	32.9
198.03419	3.3
207.10286	1.4
209.11755	70.0
210.12177	4.2
211.04329	8.4
225.05916	2.1
227.12877	2.2
227.80534	1.3
230.02484	1.7
236.10568	1.9
239.07449	1.6
245.19261	1.4
253.09023	5.9
267.10641	4.6
279.19965	2.3
281.12198	2.3
281.21249	1.6
289.18289	4.8
295.13614	2.9
307.19153	98.3
307.22028	4.6
308.19449	6.1
325.18475	100.0
325.24170	4.1
326.18750	6.2
346.01068	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98785	2.6
57.03321	14.8
59.01257	6.6
69.03317	5.0
70.69553	6.5
71.01244	5.7
71.04877	3.3
79.40679	2.9
81.03321	3.6
82.29129	3.2
83.04901	12.8
84.02050	4.8
85.02855	3.5
87.20322	3.1
95.04907	6.3
97.06464	20.9
109.06477	5.7
111.04400	6.6
115.07563	3.8
121.06522	3.0
123.04287	2.7
123.08025	5.3
125.06047	3.0
125.09596	8.0
127.07503	14.9
135.08002	5.2
148.16466	3.0
153.09146	14.8
155.10706	6.2
163.11249	4.2
165.12784	6.2
167.10692	3.1
171.10170	28.1
179.10751	3.8
185.11786	20.2
197.11763	17.4
201.11238	16.0
209.11783	78.1
211.13347	6.0
237.14929	62.4
238.12065	10.6
238.15242	3.0
245.19075	7.6
249.14919	4.0
289.18091	46.0
290.18372	5.2
307.19144	100.0
308.19598	5.4
325.20166	78.3
326.20538	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	325.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27176	0.2
55.12445	0.2
57.70276	0.3
59.90844	0.3
70.33365	1.0
70.33707	0.3
79.95576	1.5
84.96465	0.3
96.96806	0.3
119.04922	1.4
170.00301	1.8
183.01143	51.6
184.01680	2.7
197.02718	10.1
197.04056	0.3
198.03276	0.7
211.04385	0.3
212.05191	0.5
216.00879	1.0
225.05771	0.9
230.02405	0.6
239.07436	1.2
244.04181	0.4
256.37439	0.3
325.18420	100.0
326.18741	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	325.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
59.54545	0.2
68.09198	0.3
76.98206	0.2
79.95606	0.4
98.19640	0.5
114.65040	0.2
183.01143	4.8
184.01837	1.0
186.34981	0.3
197.02699	30.9
198.03424	4.4
199.58012	0.3
211.04263	1.7
212.04938	0.5
214.31250	0.3
225.05956	0.4
230.02515	2.5
239.07326	0.4
244.04204	0.3
253.09111	0.5
267.10590	0.6
325.18402	100.0
326.18710	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	325.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
63.91755	0.3
67.39201	0.3
70.32052	1.2
79.95559	1.5
83.95695	0.3
94.96378	0.3
98.81531	0.3
100.70004	0.3
114.27385	0.3
119.04903	1.3
170.00352	1.3
183.01129	50.4
184.01759	2.9
197.02711	5.9
198.03441	1.5
216.00957	1.1
225.05791	0.6
230.02553	0.8
239.07367	0.7
261.22302	0.5
325.18396	100.0
326.18719	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	325.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
68.29000	0.3
71.13307	0.6
73.66266	0.3
79.95624	1.2
91.68087	0.3
105.91475	0.3
115.77704	0.3
118.83682	0.3
119.04932	1.5
170.00313	1.4
183.01140	55.3
184.01730	3.7
197.02682	1.4
198.03371	0.3
211.04167	0.4
216.00868	1.2
225.05856	0.9
239.07274	0.7
242.64824	0.3
267.10559	0.3
325.18417	100.0
326.18716	7.1
326.22375	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2021
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
57.03336	3.7
59.01244	7.8
59.20736	2.0
61.55048	1.8
62.19860	1.7
69.03327	5.1
71.01260	5.5
71.04874	3.4
71.57550	2.5
73.02807	2.7
78.95756	1.8
79.82023	2.1
81.03357	2.2
83.04899	7.2
84.02025	3.1
93.03333	1.8
95.04905	5.7
97.06466	4.0
99.07991	2.4
107.85687	1.8
109.06477	2.5
111.04373	2.3
111.08047	6.8
119.04913	2.4
123.08069	4.9
125.05970	2.5
125.09612	5.8
127.07558	11.5
135.08069	2.9
137.09648	5.5
139.07552	6.1
149.09702	2.4
152.99503	2.5
153.09138	3.2
155.10748	4.0
163.11168	2.7
165.12743	3.1
169.08694	2.0
171.10248	9.7
179.14368	2.0
183.01215	2.9
185.11792	18.9
197.11824	17.2
201.11250	8.9
209.11783	39.9
211.13429	1.9
213.11247	2.8
223.16862	2.9
225.14957	3.5
227.12828	2.3
230.67607	1.7
237.14957	4.6
238.12047	4.0
251.16528	11.7
256.13144	3.7
279.19751	3.0
289.18176	11.2
307.19168	54.5
325.20209	100.0
326.20541	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	325.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39697	0.3
53.92945	0.3
54.62597	0.3
57.01725	0.3
59.45949	0.3
59.58812	0.3
60.26272	0.3
62.44148	0.3
78.95797	0.4
79.95639	1.1
95.46974	0.3
97.93328	0.3
133.06406	0.5
165.12785	0.4
183.01135	14.1
184.01834	1.6
193.12221	0.7
197.02702	38.3
197.11629	0.7
198.03445	4.1
200.45749	0.3
211.04298	1.5
212.05052	0.5
216.00900	1.2
225.06059	0.5
225.14833	0.6
229.63754	0.4
230.02477	3.8
239.07430	0.8
244.04115	0.4
248.86572	0.3
274.49945	0.4
293.21213	1.7
294.03735	0.3
307.19254	0.5
307.22803	0.5
321.27615	0.4
325.18411	100.0
325.23669	4.5
326.18784	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	325.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01068	0.3
59.01245	0.6
70.22507	0.3
70.22791	1.5
79.95623	1.0
82.88469	0.3
86.11386	0.3
98.02363	0.8
133.06445	0.5
169.99088	0.3
170.00415	0.5
176.07034	0.7
183.01143	14.9
184.01903	1.6
186.65218	0.3
193.48094	0.3
197.02718	39.6
198.03459	5.1
211.04303	1.6
212.05046	0.3
216.00952	0.8
217.42404	0.3
230.02512	5.8
239.07439	0.7
244.04115	0.6
325.18423	100.0
326.18738	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	325.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12771	0.3
57.95768	0.3
59.01247	0.6
71.13645	0.8
78.95764	0.4
79.95585	1.6
82.31367	0.3
87.48437	0.3
118.34895	0.3
119.04910	0.8
121.58861	0.4
133.06474	0.5
151.11223	0.7
152.99490	0.7
170.00319	0.9
176.07077	0.5
183.01134	32.5
184.01813	2.6
197.02705	27.8
198.03410	2.5
209.11555	0.3
211.04260	1.7
216.00969	1.4
225.05965	0.8
225.15001	0.3
230.02518	2.5
239.07394	0.9
253.09004	0.6
267.10413	0.6
293.21075	0.7
307.19031	0.5
307.22668	0.6
325.18405	100.0
325.23682	2.6
326.14709	0.6
326.18747	8.1
326.24350	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64181	0.7
59.01251	1.8
64.91881	0.8
66.39928	0.8
70.67753	3.0
72.99174	0.8
78.95779	50.1
95.27463	0.9
96.96823	4.8
104.36540	0.8
135.04425	1.1
150.97919	1.6
152.99493	100.0
171.00526	4.2
171.10181	2.9
176.07202	1.0
180.56981	0.8
212.30920	0.8
237.09180	3.4
281.08145	3.2
325.07138	6.3
325.10611	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	325.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07234	0.3
69.28896	1.6
69.29328	1.7
79.95593	0.7
107.83568	0.3
120.28201	0.4
148.87064	0.3
159.74850	0.3
170.00394	0.5
183.01135	8.3
184.01837	1.1
197.02713	41.5
198.03427	4.1
211.04332	1.7
213.58534	0.3
216.00967	0.6
225.05852	0.8
230.02518	3.7
253.09023	0.5
267.10614	0.4
325.18408	100.0
326.18735	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	325.184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18021	0.2
69.87027	0.6
69.87440	0.6
71.45748	0.2
75.87381	0.2
76.66905	0.2
79.95193	0.4
79.95557	1.0
98.19788	0.4
119.04927	0.9
134.49471	0.2
149.88063	0.2
170.00395	1.0
183.01132	33.8
184.01848	2.8
197.02705	13.6
198.03351	1.0
204.18279	0.2
206.90536	0.2
211.04303	0.9
212.05162	0.4
216.00970	1.1
225.05811	0.6
239.07497	0.4
244.04054	0.3
261.22238	0.3
325.18402	100.0
326.18729	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70762	0.2
60.83725	0.2
63.22170	0.2
64.24606	0.2
70.45374	0.7
79.95641	0.8
80.81069	0.2
82.97492	0.2
86.75249	0.2
116.33203	0.2
133.06511	0.4
167.89606	0.2
170.00327	0.3
182.99454	0.5
183.01126	12.3
184.01912	2.0
197.02701	39.3
198.03424	5.6
211.04274	1.2
216.00922	1.0
225.05846	0.6
230.02501	3.1
239.07433	0.7
253.09056	0.6
263.29190	0.2
267.10861	0.3
281.11658	0.2
325.18402	100.0
326.18719	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	325.0931
Annotation	CHEBI:76092
Peak:m/z	Relative Intensity
51.86003	0.7
56.74586	0.7
59.01255	7.3
65.04645	0.8
69.64758	4.6
71.01257	6.5
71.36022	0.6
72.99181	0.7
75.00774	0.7
82.17525	0.8
85.02846	3.9
87.00755	3.2
89.02316	3.6
92.83386	0.6
93.03336	2.5
95.01223	0.7
98.18110	0.6
98.19857	1.2
99.00752	1.3
101.02322	2.5
108.02063	1.4
109.60944	0.7
113.02339	2.4
117.03356	17.4
119.03414	1.4
119.04935	6.3
121.02860	1.9
123.04457	1.3
127.71636	0.8
133.02892	1.0
134.03696	1.4
135.04420	3.7
145.02863	100.0
146.03198	3.5
147.04443	10.1
149.02333	0.9
159.04381	0.9
161.06047	1.6
162.03128	2.8
163.03931	22.2
175.03984	1.0
177.03989	0.7
177.05511	2.1
179.40080	0.8
181.35516	0.7
187.03940	3.4
205.05025	4.8
217.05215	1.3
242.57704	0.7
265.07199	2.1
306.59952	0.7
325.09296	18.9
326.09763	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	325.0929
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
50.28296	0.5
53.38642	0.6
54.95622	0.6
68.91280	0.7
71.27412	0.6
71.27761	1.4
93.03343	0.7
108.01030	0.5
119.04926	100.0
120.05259	3.7
121.00306	0.5
163.03931	67.4
164.04277	2.9
200.32617	0.6
218.20616	0.6
300.07275	0.6
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	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
57.03326	0.5
59.01241	1.5
59.13119	0.5
70.44079	0.9
71.01270	0.8
72.99158	0.6
78.95761	1.1
85.02834	1.2
88.37730	0.4
93.03336	0.5
95.23213	0.5
99.48510	0.5
108.51305	0.5
113.02341	1.1
119.04921	100.0
120.05274	3.0
161.04485	0.6
163.03928	51.0
164.04260	2.0
175.02232	0.5
193.03398	0.6
209.14958	0.5
249.37045	0.5
332.68359	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42939	2.3
52.87351	2.5
55.34893	2.7
56.20340	2.5
57.03309	2.4
59.01234	8.0
59.62708	2.4
63.80262	2.6
67.04371	3.1
70.00328	9.5
71.01249	3.2
72.99175	12.3
74.44354	2.5
74.80897	2.7
75.00750	8.5
85.02820	5.9
101.02314	4.5
112.32065	2.5
119.04908	58.4
133.04959	100.0
137.02357	3.5
147.06474	6.0
161.04436	4.1
162.19690	2.8
163.03911	45.3
164.04326	2.9
190.99463	3.2
325.11087	8.0
341.00473	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61243	0.4
59.01254	4.6
71.01249	3.6
71.32774	0.3
71.56848	0.5
72.99172	0.5
78.95775	0.5
85.02828	0.9
89.02300	1.7
101.02325	1.6
113.02320	1.3
117.03354	21.4
118.03693	0.6
119.03371	0.8
119.04903	5.2
120.05262	0.5
127.64132	0.3
133.06511	0.5
134.03596	0.4
135.04060	0.3
145.02856	100.0
146.03214	3.9
152.99461	0.4
159.04469	0.4
161.05988	1.8
163.03926	12.2
164.04257	0.6
176.07018	0.4
177.67911	0.4
187.03900	3.7
205.05017	1.3
206.01324	0.5
235.06143	0.5
264.13397	0.3
265.07071	2.2
266.37833	0.4
325.09323	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	325.093
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00469	0.6
59.01253	5.5
71.01268	2.7
71.28635	0.7
81.70682	0.4
85.02818	0.9
89.02319	2.3
92.74570	0.4
95.01273	0.5
95.14057	0.4
101.02320	1.2
113.02331	0.8
114.05479	0.5
117.03352	21.8
118.03682	0.7
119.03466	0.9
119.04921	7.0
133.06483	0.6
145.02859	100.0
146.03197	4.2
159.04395	0.4
161.04611	0.5
161.06004	1.6
163.03938	8.8
187.03954	3.4
205.04971	1.2
232.16953	0.4
241.79439	0.4
265.07144	1.9
325.09290	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	325.093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00513	0.8
50.72243	0.9
54.59914	0.8
55.51245	0.9
59.01258	6.0
70.10812	1.0
70.92419	2.7
71.01257	2.7
71.29523	0.8
89.02317	2.4
93.23373	0.8
101.02334	1.4
101.05173	0.9
113.02316	1.6
117.03349	23.4
117.04176	1.4
118.03688	1.1
119.04932	5.9
134.03665	2.3
135.04422	1.3
145.02856	100.0
146.03218	3.8
153.74864	0.9
159.04388	1.3
161.04367	1.1
161.05997	1.4
163.03925	29.9
187.03967	2.4
206.01376	1.5
250.68350	0.9
265.07040	2.0
279.44751	0.9
300.38141	1.2
325.09293	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	325.0209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12770	0.5
54.39898	0.6
54.41217	0.5
59.01244	2.3
61.23352	0.5
62.49189	0.6
63.96107	4.2
68.02428	0.7
71.01242	0.9
79.95609	59.7
80.96392	100.0
93.03368	2.6
98.20176	3.5
99.08029	0.6
110.45167	0.6
111.92834	51.4
112.93617	31.1
117.03352	1.8
119.04908	0.7
137.00571	25.1
138.00941	0.6
145.02866	7.9
153.09219	0.6
209.11775	0.9
217.97067	14.4
217.99081	0.9
218.97833	2.5
252.96288	0.5
253.07465	0.7
265.04822	0.7
265.07547	9.2
281.07349	0.7
307.18927	0.8
325.02103	18.6
325.09741	1.5
325.13348	1.3
325.20309	2.9
326.02570	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0715
Annotation	3,5-Dimethoxy-6,7-methylenedioxyflavone
Peak:m/z	Relative Intensity
59.01242	5.5
60.99160	1.3
65.91027	1.1
69.03310	1.3
71.57655	2.7
72.99181	4.0
78.95761	1.9
81.03288	1.3
82.38250	1.1
83.04906	2.1
93.03334	2.1
95.04934	2.0
108.02054	7.3
112.65300	1.4
127.07529	1.3
152.99486	3.4
157.07658	2.2
171.10188	6.5
176.07121	3.2
185.11763	1.5
189.12729	2.9
201.11250	1.6
209.11726	2.5
211.13348	1.8
217.06564	1.6
219.08080	23.7
220.08707	1.5
223.13347	15.0
233.11781	5.6
235.07568	1.6
237.05537	1.9
237.09172	43.5
238.09448	2.8
251.12981	9.4
263.07126	18.8
263.12933	1.7
264.07224	2.3
281.08197	58.3
282.08499	5.1
289.18073	1.8
307.06177	7.8
307.19162	1.9
325.07162	100.0
325.16846	12.2
325.20432	5.1
326.07620	7.2
326.16544	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	324.1238
Annotation	Isolaureline N-oxide
Peak:m/z	Relative Intensity
59.01273	3.2
63.21464	2.8
78.95784	2.7
93.03335	24.1
95.04976	3.4
97.34860	2.7
107.04925	8.3
108.04433	12.4
109.06526	3.7
115.05451	3.0
116.07131	3.0
119.04912	15.2
120.04467	28.4
121.02859	24.4
123.04372	3.8
130.04115	6.0
131.04915	6.1
133.06487	9.7
134.06026	7.9
135.04434	59.1
137.70914	2.7
143.04941	17.8
145.06499	8.0
147.04449	3.0
149.05992	3.2
150.60655	2.8
152.99550	4.1
161.06007	5.4
171.10257	2.9
173.25786	3.1
190.59416	2.7
191.07095	6.7
201.11284	3.6
209.06039	3.2
209.11627	4.2
211.07475	4.3
218.08177	4.0
220.08934	3.4
222.06670	3.7
223.07707	19.7
225.09229	5.3
233.51567	2.8
235.07715	6.6
236.08376	8.1
237.09192	27.9
237.14832	2.7
238.22879	2.8
239.07129	3.6
247.07581	7.4
248.08365	7.8
249.09254	17.1
249.14830	3.8
250.15268	7.2
252.10181	14.4
253.08723	27.6
254.09077	3.9
261.09186	6.5
262.08875	4.2
263.07010	4.1
264.07864	8.1
264.10294	100.0
265.08484	12.0
265.10959	4.8
266.09280	3.0
267.10245	67.3
268.10593	6.7
276.10223	30.0
279.10202	38.4
280.10110	9.9
281.08145	5.8
282.11438	20.2
288.10361	9.5
294.07794	10.1
294.11362	28.7
306.11380	66.2
307.11768	4.7
307.19278	3.0
324.09015	14.0
324.12408	51.8
324.18320	3.7
325.07065	4.8
325.20203	17.8
340.26825	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	323.259
Annotation	14,15-EE-5(Z)-E
Peak:m/z	Relative Intensity
57.03309	0.8
59.01245	6.6
68.02391	1.5
70.44368	2.4
71.01225	1.1
82.59671	0.7
86.25904	0.7
94.47780	0.7
96.44005	0.7
101.02348	0.7
103.04742	0.7
108.32949	0.7
113.02271	0.9
141.32027	0.7
148.88086	0.6
155.14326	1.3
165.12756	2.2
214.77904	0.8
258.86761	0.6
279.26871	1.0
304.54257	0.7
316.66101	0.6
323.25894	100.0
324.26266	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	323.259
Annotation	(plusmn)15-HEDE
Peak:m/z	Relative Intensity
54.43967	0.4
57.03332	0.7
59.00982	0.7
59.01251	7.6
69.73592	2.6
71.01258	1.5
76.77099	0.5
85.02828	0.5
89.02335	0.8
96.95914	0.5
101.02299	1.0
113.02335	1.0
113.09622	2.1
137.09586	1.4
199.13361	2.4
207.17491	1.8
223.16971	17.5
224.17340	1.1
256.99350	0.6
287.23282	0.5
305.24835	22.2
305.60736	0.5
306.25217	1.7
323.25885	100.0
324.26208	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	3.3
69.60559	2.4
69.60986	3.4
71.01294	0.8
73.02850	0.8
77.93069	0.8
97.06434	1.1
98.19796	1.4
110.37920	0.8
111.18781	0.8
123.08048	0.8
137.06013	1.1
137.09579	0.9
139.03998	0.8
146.87823	0.8
165.09164	1.9
165.12717	1.7
189.12758	0.9
191.14375	1.1
193.12318	1.0
206.20990	0.8
217.15950	1.1
223.04335	1.0
233.15292	1.0
261.22217	3.2
262.22644	0.9
279.23303	1.0
291.19666	3.1
305.21216	100.0
306.21542	8.2
308.19702	1.0
323.16891	11.8
323.22287	22.9
324.17157	1.3
324.22556	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2227
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
59.01250	4.6
71.04897	28.4
71.07033	3.4
72.06730	1.7
73.64529	1.5
87.17096	1.5
97.06483	8.8
98.19859	1.7
107.04925	3.2
117.57525	1.6
121.10161	2.7
123.07998	1.5
125.09620	5.0
147.08011	1.8
152.42793	1.4
181.12192	2.1
183.57031	1.4
198.50246	1.6
198.92790	1.4
219.13870	4.4
233.15410	2.5
235.17026	5.5
247.20621	2.4
265.18085	10.1
273.18600	4.4
279.17923	2.0
291.19669	100.0
292.20023	9.2
305.21228	14.8
323.18594	3.5
323.22290	40.0
324.22662	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	323.2226
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
52.96369	4.2
53.40001	3.9
57.03309	11.1
59.01251	38.2
69.03292	5.3
69.51281	26.6
69.51705	10.6
71.01260	10.6
71.04893	41.4
78.95750	7.1
83.04893	9.6
85.02819	18.9
85.06471	8.6
87.04388	15.9
89.13918	4.7
95.04886	8.8
97.06470	24.2
98.02331	5.6
98.20467	9.7
101.05969	9.9
107.04931	6.2
109.06474	8.9
115.36930	4.6
149.27312	4.2
151.11224	4.3
167.10645	4.3
177.12755	14.4
189.16417	12.7
191.14313	9.4
195.13782	7.2
203.10648	7.4
205.15933	48.1
207.13828	9.1
209.11830	5.6
221.11792	14.1
229.12291	6.3
229.19603	22.1
233.15433	76.6
234.15710	4.8
235.13365	25.5
235.16928	7.9
237.14931	10.8
237.18613	12.2
247.13260	15.9
249.14941	6.0
265.14929	6.1
265.18033	73.5
266.18369	5.7
273.18567	52.1
281.41165	5.0
291.19666	100.0
292.19949	11.7
305.17603	14.9
305.21210	40.1
314.28027	5.2
323.16916	7.4
323.18451	8.9
323.22192	73.4
324.22635	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	323.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	0.4
57.22062	0.4
59.01244	1.7
69.03320	0.5
69.56427	0.8
69.56837	1.8
71.01266	0.6
79.95618	1.7
97.87679	0.5
111.08047	1.2
121.06459	0.4
125.09602	1.1
137.09599	0.5
151.11134	0.8
163.11168	1.1
165.12836	0.9
170.00372	1.5
171.10193	1.0
181.12323	1.3
183.01115	8.8
183.02664	0.6
184.01874	3.2
195.01207	0.8
196.01811	0.7
197.02713	2.4
197.11751	5.8
198.03455	0.7
209.02710	3.7
209.11783	0.8
210.03418	1.1
213.14935	1.6
216.00906	1.7
216.27654	0.4
220.14772	0.6
221.11803	0.5
223.04324	2.6
224.05063	0.6
225.15025	0.7
230.02313	0.4
237.05809	2.4
239.12729	0.6
241.14386	0.5
244.13028	0.6
251.07472	2.4
252.08026	0.3
259.20694	0.5
265.08997	1.7
273.18600	2.1
279.10471	1.1
291.19662	10.3
292.19955	0.6
293.12195	1.2
305.21298	1.7
308.19928	1.8
323.16824	100.0
323.22281	19.7
324.17154	8.8
324.22543	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	323.2229
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
54.14035	2.5
57.03301	6.5
59.01253	15.3
63.04594	3.3
66.23930	3.2
69.03303	3.3
70.09821	8.2
70.10233	6.3
71.04879	11.7
74.02340	6.9
78.95747	3.7
81.03317	5.6
82.90473	3.3
83.04890	7.8
83.81840	2.5
85.02812	3.1
95.04876	4.6
97.06454	10.6
98.19800	3.7
111.04419	27.5
111.08000	4.7
113.02325	3.4
113.05956	4.1
121.02808	8.5
121.10106	3.6
123.08013	3.5
125.09621	6.5
133.06485	3.1
137.09636	6.7
143.69577	2.6
149.09555	5.1
151.11137	6.9
153.19820	2.7
159.11678	6.1
165.01839	3.5
171.10162	6.8
177.12769	62.0
178.13060	3.0
179.14359	4.7
185.11748	6.9
186.68169	3.5
193.12111	3.7
207.13860	3.7
209.15274	6.5
221.11769	7.6
229.19577	3.7
233.15375	16.0
235.16914	8.2
265.18091	26.3
273.18637	15.8
280.19220	10.1
291.19659	59.2
305.17773	4.6
305.21198	66.3
306.21637	5.4
323.18488	6.0
323.22195	100.0
324.22128	6.4
342.15686	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	3.8
59.01252	9.6
66.79355	2.0
69.03330	15.0
70.67855	3.3
71.01260	3.5
71.04893	8.0
73.02820	6.2
83.04910	4.7
85.02837	2.4
87.04392	3.5
91.03902	1.7
95.04903	6.5
97.06487	3.9
99.04398	2.8
109.06464	5.4
110.03649	1.6
111.08035	1.5
125.09589	2.9
128.06480	1.6
135.08034	2.8
137.05978	1.9
139.11343	1.5
149.13245	1.6
165.01895	1.6
167.10707	2.6
171.10254	2.6
179.10719	2.3
179.14333	2.1
185.11647	1.9
191.14468	1.6
193.12239	1.9
205.12280	5.7
205.15912	2.8
207.13881	3.2
209.11823	4.1
209.15370	4.0
221.15451	6.8
223.13326	3.8
225.11238	2.1
231.13870	16.6
235.13464	8.1
237.14911	5.1
249.14951	100.0
250.15286	6.4
251.19861	1.7
253.14417	3.8
261.18683	2.8
265.17899	2.4
279.16092	3.5
287.16565	3.6
291.19681	8.5
305.17590	11.6
305.21225	25.2
306.17859	1.5
306.21619	2.8
323.18512	12.1
323.22290	10.2
324.18967	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01733	9.0
57.03323	31.7
58.81316	8.1
59.01249	32.7
66.89323	8.1
69.50495	76.1
71.04889	41.3
73.02822	49.7
81.03320	26.5
83.04881	19.0
85.02811	21.1
87.04382	37.9
93.03334	9.4
95.04894	37.3
99.04395	62.7
109.06512	17.7
110.03622	13.6
113.05971	22.7
116.55151	8.8
123.08070	11.9
125.09649	11.5
149.09651	8.4
171.10133	12.6
177.12781	20.4
179.14386	13.4
181.12080	13.0
181.57497	11.4
189.12820	10.0
191.14410	11.3
197.11674	12.1
205.12163	10.6
207.13884	22.1
209.11806	59.3
209.15396	40.8
223.13263	42.9
225.11224	15.9
235.13358	63.9
237.14905	100.0
243.17552	12.7
249.14893	29.6
253.14383	15.2
261.18530	11.3
265.18076	30.6
279.15961	9.9
287.16443	42.7
291.19580	31.8
305.17603	78.4
323.18536	50.6
323.22330	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	7.5
63.03154	0.6
65.03837	24.5
69.03343	1.5
69.49725	6.3
71.04893	27.5
72.99169	1.9
81.03342	0.9
83.04897	4.6
97.06470	14.0
109.06481	2.0
111.08026	1.9
119.08556	2.2
121.06483	36.3
122.06787	1.2
123.07990	1.1
125.09564	0.9
127.11179	3.1
135.08072	2.6
137.09633	11.3
139.07549	1.4
141.09149	2.1
152.72859	0.7
155.10684	17.0
156.02972	0.7
164.08372	4.0
165.09079	0.7
181.12263	3.3
189.12779	2.6
201.11267	8.8
205.12279	31.9
206.12643	2.0
221.15450	0.9
225.11276	6.5
227.12837	2.2
251.12848	11.5
259.16956	1.1
305.17648	8.4
323.18625	100.0
324.18866	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	323.1865
Annotation	Hynapene A
Peak:m/z	Relative Intensity
55.01765	2.6
57.03321	6.6
59.01254	5.8
60.78922	1.9
63.69440	2.0
65.03846	3.1
68.40241	2.1
69.03327	2.3
69.99328	10.4
69.99730	4.2
71.04895	34.7
81.03336	3.9
83.04904	8.0
92.36249	2.3
95.04907	54.1
96.05247	3.1
97.06464	11.9
107.04943	2.3
109.06477	31.8
111.08072	2.5
121.06501	5.0
123.08051	2.4
125.09643	5.9
133.06531	3.0
135.08070	12.9
135.11865	1.9
136.01111	2.1
151.07599	16.0
151.11147	7.7
171.10194	100.0
177.12758	5.6
177.14236	2.3
185.11757	4.0
189.12801	11.9
205.12271	3.5
205.15970	2.6
209.11787	9.4
221.11748	2.5
223.13414	3.0
233.11795	12.7
235.13266	2.3
243.17564	3.3
249.14941	25.9
250.15294	3.3
263.16479	6.2
277.17969	2.8
280.74969	2.4
287.16476	13.4
305.17596	27.4
306.18109	3.5
323.18695	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	323.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56724	0.9
57.03310	1.0
59.01249	9.0
65.39899	1.0
69.03312	1.8
69.85883	4.8
71.01249	1.2
71.04896	21.7
74.13094	0.8
80.02557	1.4
81.03352	1.3
83.04903	4.9
93.03357	1.0
95.01332	0.9
95.04907	4.9
97.06453	2.5
99.04401	1.5
106.04102	2.5
107.04914	2.1
108.02072	2.6
109.02859	1.2
109.06509	5.5
119.04984	1.0
121.02871	1.4
121.06509	5.1
123.08080	1.5
125.06040	1.2
125.09573	1.1
135.08081	3.4
136.05161	1.0
151.07576	3.9
151.11089	0.9
161.06026	1.4
161.09642	1.8
162.06766	10.6
163.11113	0.9
164.08293	2.2
171.10193	2.9
177.12799	4.4
179.10716	2.2
185.11784	1.7
189.12781	9.1
191.10744	1.3
195.13864	2.1
197.11861	2.0
199.13342	2.5
205.12323	1.7
205.15923	3.8
207.13878	2.1
209.11765	3.1
221.11794	28.1
221.13788	1.8
221.15295	1.8
222.12054	1.8
223.13354	25.7
227.12926	1.1
231.13829	2.2
233.11873	6.8
233.93639	1.0
239.12886	10.6
240.13110	1.4
242.78447	1.0
243.17551	2.2
249.11011	2.4
249.12170	1.2
249.14906	18.6
251.12869	34.1
252.13243	1.6
263.16589	3.1
269.15427	2.6
287.16562	18.8
288.16891	1.4
299.68863	1.1
305.17596	100.0
306.17993	8.3
323.18637	58.0
324.18909	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	323.1863
Annotation	Hynapene A
Peak:m/z	Relative Intensity
55.60562	1.9
56.43814	2.3
57.03325	12.9
59.01249	16.7
61.31712	2.0
66.35345	1.9
70.82056	4.9
71.04898	16.9
73.02838	2.4
81.03336	7.3
83.04903	10.9
95.04901	49.4
97.06463	9.6
106.04130	3.9
107.04876	2.6
109.06453	20.0
111.04401	12.8
121.06478	3.2
122.03653	16.3
123.08062	6.0
125.06002	4.1
125.09617	16.6
127.07585	3.5
133.06473	19.4
135.08047	24.5
137.05972	4.1
137.09579	1.8
139.07584	4.0
139.11131	2.2
147.04399	5.4
148.04865	2.3
149.06058	3.6
149.09627	4.3
151.07549	26.8
153.09077	2.9
153.39583	2.1
158.09595	3.6
159.10078	2.8
163.11195	7.8
171.10196	35.3
172.10632	2.1
174.12785	7.1
175.13173	12.2
177.09119	1.9
179.14339	7.7
185.11746	8.7
189.12801	4.2
197.11777	3.5
203.14473	2.3
207.10219	4.3
209.11787	8.7
223.13348	64.9
233.11877	2.4
243.17503	14.2
249.14981	6.9
250.47127	2.2
259.17041	7.0
263.16528	4.6
265.14404	22.8
269.15631	3.7
277.18030	6.1
279.19397	4.6
287.16541	45.3
288.16730	3.1
305.17587	100.0
306.17859	6.1
323.18622	53.1
324.19003	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	323.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	2.8
58.06067	1.4
59.01250	9.5
69.03329	16.2
69.90464	1.5
71.01244	2.5
71.04897	3.6
71.35292	3.8
73.02824	4.0
81.03335	2.6
83.04879	1.6
85.51696	1.5
91.03886	2.4
93.03313	2.3
95.04912	7.6
97.06461	5.5
107.04925	3.1
109.06496	2.0
111.08033	2.3
119.04967	2.3
123.04372	2.0
123.08034	4.7
125.09597	5.1
127.11234	2.1
134.62582	1.7
135.08029	8.5
137.09666	2.3
151.07492	2.0
171.10185	10.4
173.37872	1.6
175.11203	3.0
185.11780	4.7
189.12761	2.1
193.12207	2.4
199.09692	29.9
205.12291	5.9
205.15953	4.7
209.11810	7.9
213.11241	2.0
215.12868	9.1
221.15437	9.0
225.67319	1.6
231.13867	18.1
237.14917	2.8
243.17468	2.8
247.13358	1.9
249.14943	100.0
250.15295	6.0
261.18640	2.2
265.14365	2.7
287.16522	11.5
305.17609	17.9
306.17834	2.3
312.08151	2.0
318.77814	2.1
323.18713	20.5
323.22162	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	323.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	7.7
59.01253	12.1
67.01802	2.4
69.03329	7.5
70.87375	2.2
70.87724	5.7
71.01234	4.0
71.04893	4.6
72.99191	4.1
73.95126	1.9
80.02563	2.9
81.03320	10.6
83.04903	19.6
85.02849	3.4
88.47166	2.3
95.04923	8.3
97.02837	6.3
97.06496	3.4
99.04427	2.2
107.04911	3.1
109.06498	5.3
111.08060	3.5
113.06016	2.4
115.38740	2.2
121.02848	6.0
121.06445	3.8
123.04428	3.0
123.08063	4.7
125.09617	3.5
127.11152	2.4
135.08063	5.6
137.05960	2.8
137.09608	13.3
139.07562	2.6
141.09094	3.0
149.09596	2.7
151.07576	2.2
153.09160	3.1
155.10699	11.5
163.11205	6.5
171.10168	5.0
177.12804	2.6
179.10664	10.1
181.12338	7.9
185.11772	7.3
193.08589	2.5
195.10225	27.0
197.11711	2.6
207.10178	2.9
209.11789	12.6
223.13358	2.6
225.11249	10.7
227.12711	3.0
235.13298	2.2
241.18248	3.3
243.14742	2.2
249.15038	3.4
259.17056	9.5
261.18689	3.0
263.16425	3.2
277.18015	6.1
279.19705	3.8
287.16534	4.9
291.19727	3.1
302.18735	2.4
305.17587	40.1
306.17975	3.0
307.49673	2.2
323.00073	2.7
323.18649	100.0
323.22141	5.2
324.18964	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	323.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	4.9
57.03334	12.8
59.01234	8.5
63.22513	2.3
64.89366	2.6
67.01783	3.6
69.03329	4.4
69.46110	2.7
70.91229	5.7
71.01238	4.6
71.04891	28.0
73.02831	8.2
75.16433	2.4
79.81159	2.3
80.02534	3.6
81.03313	11.1
83.01257	6.5
83.04896	27.4
84.02033	14.5
85.02820	6.5
85.06457	5.8
85.67097	2.9
93.03339	4.3
93.61253	2.5
95.04911	59.6
95.13019	2.5
96.05215	4.2
97.02892	2.8
97.06449	8.7
99.04381	10.0
107.04892	5.1
109.02776	2.9
109.06446	7.8
111.04394	6.7
113.05980	57.5
119.04887	3.4
121.06507	3.2
123.04368	4.5
123.08051	5.2
125.05872	4.1
125.09565	9.0
130.08612	9.2
131.08968	2.7
133.92784	3.0
135.07068	2.7
135.08026	16.0
136.05185	3.9
148.61768	2.7
149.09604	6.3
151.07497	6.4
153.09105	4.1
165.09204	3.2
167.10707	3.8
171.10204	11.9
185.11699	8.4
189.12762	4.3
191.58279	2.6
194.82475	3.0
195.13867	3.1
197.98846	2.4
203.10696	3.6
204.21498	2.9
209.11787	33.4
221.11749	5.3
223.13310	4.0
231.13805	8.1
237.14938	29.4
243.17403	6.8
245.73122	2.6
249.14844	10.1
251.12827	4.3
259.16986	5.4
265.14352	7.4
267.16034	5.8
277.18005	7.0
287.16486	21.5
299.23111	2.5
299.65356	2.6
305.17606	66.7
306.17941	5.1
318.45825	2.7
323.18546	100.0
324.18866	7.9
335.96796	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	323.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46474	1.1
57.03326	6.6
59.01247	22.5
65.03796	1.2
68.02398	4.4
69.03324	4.3
71.01263	3.3
71.04891	8.4
75.85907	1.2
80.02538	1.9
81.03337	2.6
83.04890	9.1
85.02812	2.6
92.30418	1.1
93.03333	1.9
94.41331	1.1
95.04904	4.6
97.06484	1.4
98.03605	4.7
99.04385	1.7
101.02314	2.4
107.04923	3.3
107.62362	1.1
109.06469	33.1
111.04362	1.8
111.08039	8.2
113.02334	1.6
113.85355	1.1
121.02826	1.8
121.06483	1.9
123.04453	1.8
123.08028	1.7
125.09579	1.9
126.99419	3.9
127.07548	14.1
127.11195	7.8
131.08560	1.3
133.06448	2.0
135.08038	2.7
137.02415	1.1
147.08107	1.3
148.05286	1.4
149.09627	10.3
151.07532	8.9
151.11172	1.8
159.51360	1.2
161.04424	1.5
165.09129	1.7
166.05846	1.1
171.10172	100.0
172.10547	2.1
175.07634	1.4
176.61444	1.3
183.10078	1.6
185.11838	3.0
193.12244	2.8
195.10194	42.3
196.10487	1.6
197.11760	3.4
209.11766	1.8
221.11844	2.2
223.13277	4.8
233.11850	1.6
235.13278	1.5
243.17474	1.8
247.13364	3.9
251.12877	1.7
265.14407	5.2
268.95630	1.2
287.16489	8.2
305.17526	18.2
306.17627	2.3
323.10004	4.5
323.18643	12.1
324.18478	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19941	0.3
55.01757	1.5
56.99668	0.2
57.03318	1.2
58.00467	4.1
59.01250	100.0
60.01593	0.9
63.74504	0.2
69.52335	2.0
71.01253	53.0
71.04896	0.5
72.01598	0.4
72.99181	3.8
73.02820	1.5
76.04214	0.2
83.01263	2.6
84.02063	0.4
85.02824	10.1
86.03151	0.2
87.00761	1.8
89.02317	52.0
90.02654	0.6
95.01254	3.7
99.00775	0.9
99.08027	0.8
101.02321	32.0
102.02702	0.5
113.02331	18.4
114.02685	0.5
119.03387	23.5
122.66753	0.3
125.02345	0.3
131.03413	1.8
143.03394	2.5
143.07047	0.7
149.04437	1.2
157.85722	0.3
161.04485	1.7
161.08087	1.4
179.05542	3.1
250.54362	0.3
265.27304	0.3
323.13455	80.8
324.13797	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75255	0.5
53.64470	0.4
57.58615	0.4
59.01250	100.0
60.01587	1.3
69.38516	3.4
69.38921	0.9
71.01258	2.0
73.02829	1.1
81.49471	0.4
84.29263	0.4
85.02850	0.9
89.02337	0.5
99.00760	0.5
101.02335	1.8
106.17854	0.4
113.02319	0.6
138.71098	0.4
161.04526	1.0
220.53008	0.4
249.58330	0.4
263.14978	3.4
323.14569	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.2
55.05191	0.7
57.03312	1.9
58.00464	4.4
59.01250	100.0
64.52325	0.7
66.86263	0.6
71.01253	53.3
71.11975	2.0
72.99181	4.2
73.02827	1.8
83.01247	3.0
85.02818	11.0
85.44390	0.7
87.00739	1.3
89.02314	46.7
90.02668	0.7
95.01255	4.1
101.02319	30.9
102.02670	0.8
113.02328	16.3
119.03387	21.8
125.86251	0.7
131.03392	2.2
143.03369	2.3
143.07060	0.8
149.04425	1.3
150.37727	0.7
161.04480	1.5
161.08052	1.4
179.05591	3.4
240.82758	0.7
258.89847	0.7
264.35645	0.7
323.13461	77.9
324.13812	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	323.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.6
56.99652	0.9
57.03319	0.9
58.00462	3.9
59.01254	100.0
63.83829	1.0
68.87516	0.8
69.48946	3.0
69.49371	4.9
71.01258	55.5
71.23876	0.8
72.99170	4.1
73.02828	1.3
75.58292	0.8
77.73329	0.8
83.01254	2.7
85.02823	9.1
89.02323	51.3
95.01270	4.8
101.02326	32.4
113.02338	19.0
119.03397	25.9
119.35542	0.9
131.03392	1.1
137.60284	1.0
143.03432	2.0
143.07024	1.5
161.04485	1.4
161.08109	2.1
179.05540	4.0
207.46625	0.9
267.31070	0.9
323.13483	72.4
324.13907	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	323.125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	46.4
65.50616	3.4
70.04988	15.0
71.01234	8.4
72.99192	4.9
73.33427	3.2
76.85745	3.8
78.95774	7.0
80.96379	3.4
89.02316	14.5
89.44844	3.9
92.55672	3.7
101.02335	10.1
125.20246	3.8
130.08641	8.6
144.53951	4.0
160.06316	12.5
161.07144	57.4
162.05229	3.3
175.08704	38.9
187.10834	7.8
189.06618	100.0
190.06964	6.9
193.62437	3.6
203.08223	38.8
217.11874	8.1
221.73880	3.5
323.12695	21.8
336.58359	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	323.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71261	4.4
59.01251	100.0
70.57880	15.9
71.01253	56.2
75.00746	29.5
85.02822	15.2
87.00769	6.7
89.02317	41.4
95.01317	6.3
101.02328	28.7
107.09127	4.6
113.02317	16.8
119.03381	19.6
142.07729	4.4
218.43431	4.9
220.35994	5.6
323.13501	83.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.7
58.02858	2.2
58.98158	0.3
59.01253	0.8
64.41297	0.2
70.87787	0.8
71.04896	0.5
81.03336	1.1
83.04910	1.7
84.02054	0.4
95.04919	2.6
97.06473	0.8
98.03482	0.5
99.04426	0.3
107.04882	0.3
109.06474	1.3
113.06010	1.3
121.02879	0.4
125.09628	0.5
128.10706	6.9
129.10982	0.3
130.08640	100.0
131.09006	2.3
135.08060	0.6
151.07574	0.9
164.97450	0.2
165.12756	1.0
171.10184	2.2
177.12819	0.5
187.50375	0.3
203.10779	0.4
209.11769	0.7
221.11938	0.3
222.06483	0.3
237.14886	1.6
243.17552	0.3
257.13849	0.3
270.79288	0.3
281.66776	0.3
287.16406	0.9
305.17560	2.0
322.20248	28.8
323.09302	0.3
323.18756	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	322.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00454	0.9
59.01252	22.1
69.78150	4.0
71.01254	6.7
71.90809	0.7
72.99165	1.3
80.96386	1.0
82.02855	3.3
89.02305	4.2
96.95882	1.3
98.19730	0.7
101.02329	4.5
104.06763	0.8
110.02348	1.0
145.07617	100.0
146.07957	3.6
170.07127	1.1
173.07129	1.0
188.08220	84.7
189.08556	3.4
207.88498	0.7
210.10356	1.6
214.09804	31.2
215.10172	1.2
228.11363	2.8
238.09921	1.4
256.10889	20.1
261.12491	1.3
268.10886	1.4
279.13553	2.8
279.77142	0.9
280.22437	0.8
286.11874	1.4
304.13107	2.6
309.72412	0.8
322.14050	12.3
322.17679	1.2
323.14630	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2023
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
58.02848	2.0
59.01241	0.8
67.66793	0.2
68.02410	1.8
71.44588	0.3
71.44962	0.2
74.96055	0.2
77.87823	0.2
80.02561	0.2
81.03349	0.4
82.03982	0.4
83.04899	0.2
89.82062	0.2
95.04906	1.0
95.10264	0.2
96.01902	0.3
97.06485	0.5
109.06493	0.7
110.84751	0.2
111.25336	0.2
126.99465	0.9
128.09764	0.4
128.10710	7.1
129.11090	0.2
130.08633	100.0
131.08978	2.3
148.98582	0.2
149.09604	0.2
165.12749	0.9
172.09685	0.2
176.36046	0.2
177.17137	0.2
204.03181	0.2
209.07375	0.3
239.08398	5.3
240.08650	0.5
322.13321	0.9
322.20215	30.4
323.20596	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	322.1328
Annotation	histidyltryptophyldiketopiperazine
Peak:m/z	Relative Intensity
52.68533	2.4
55.33097	2.6
59.01252	28.9
68.02412	100.0
71.01265	4.7
71.04970	2.6
71.57668	3.0
82.03988	10.5
85.02832	3.1
93.06982	2.4
95.04897	4.1
96.01902	3.7
98.03524	3.3
99.04447	2.8
99.08032	58.6
101.05974	20.2
109.06435	4.3
113.02335	3.5
125.09624	3.1
126.99458	94.8
171.10237	3.4
177.01056	4.8
188.63203	3.2
207.10190	5.4
209.11768	7.3
223.08914	25.8
225.11288	13.9
235.08882	28.9
239.08414	85.7
240.08713	5.0
251.13081	2.6
253.09990	57.5
254.10289	3.1
262.14386	3.5
279.16025	8.3
292.46497	2.8
302.61652	2.5
305.17535	9.1
322.13336	79.7
322.17017	5.7
322.20361	10.7
323.13223	3.8
323.18735	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	322.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.5
58.68439	0.4
59.01245	0.9
63.44126	0.4
68.02412	24.0
69.43885	2.4
69.44296	1.1
71.01228	0.4
71.04900	1.4
71.20092	0.4
81.03336	0.7
82.03988	2.1
83.04899	1.5
86.00792	0.4
86.01485	0.3
93.03333	0.4
93.84373	0.4
95.04920	2.5
97.06456	0.5
99.08036	39.9
100.08356	1.0
109.06487	1.1
109.19386	0.5
119.04884	0.5
121.02880	0.5
121.06527	0.5
126.99466	30.3
127.99803	0.7
135.08026	0.5
135.26236	0.4
137.09746	0.6
137.10742	4.9
137.11716	0.6
139.07561	1.9
140.00241	5.0
141.98161	0.6
153.01059	1.0
155.02544	0.9
157.00502	1.2
171.10207	2.2
171.99223	1.2
181.00584	0.6
209.11682	0.5
211.13397	0.4
223.13387	0.8
225.06970	0.5
235.13350	1.1
239.08411	12.4
240.08765	0.6
247.13362	0.5
249.15036	1.0
253.10027	1.6
258.15805	0.4
265.14450	0.5
304.16449	0.7
305.17477	2.2
322.13284	100.0
323.13568	7.9
323.18631	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	322.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15730	0.4
50.63535	0.4
55.86316	0.4
57.03323	0.5
59.01249	2.8
61.70969	0.4
65.01315	0.5
68.02411	7.0
71.01258	0.8
71.04895	0.6
71.57849	0.8
73.02820	0.6
81.03204	0.8
82.03983	3.9
85.02798	0.6
87.04392	0.5
90.31292	0.4
95.04884	0.7
96.01933	1.6
97.06483	0.4
97.99937	0.4
98.03477	4.9
98.19983	0.5
99.08017	0.7
101.05957	32.0
102.06285	0.7
110.03468	2.0
110.80199	0.4
126.99452	100.0
127.99783	1.9
131.58922	0.4
152.08163	1.2
166.09743	3.8
166.98994	0.5
207.17894	0.4
208.00890	0.5
208.02693	2.3
209.11772	1.1
209.15361	0.8
225.11209	0.5
235.13374	1.1
237.14957	0.7
241.06273	0.8
279.16089	0.9
284.46268	0.5
287.16440	0.8
290.18192	0.5
305.17459	1.2
305.21317	1.2
322.13193	0.9
322.20474	0.6
323.18829	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	322.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96383	0.3
55.98589	0.3
59.01244	1.0
68.02406	4.6
70.11604	1.0
76.31900	0.3
81.03190	0.4
81.20164	0.3
82.03978	4.2
96.01916	2.1
98.03477	3.5
98.19909	0.3
101.05961	34.2
102.06287	0.7
110.03492	2.6
126.99456	100.0
127.99806	2.4
151.07550	0.3
152.08197	1.1
154.97218	0.3
156.75449	0.3
166.09760	3.8
169.72827	0.3
208.02766	2.3
220.02809	0.5
237.05862	0.7
239.08296	0.4
241.06168	0.5
251.07457	0.4
277.89914	0.3
278.21268	1.2
322.16461	0.5
322.20331	2.0
323.16818	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	321.2434
Annotation	8(S)-HETrE
Peak:m/z	Relative Intensity
58.76639	0.8
59.01240	2.0
59.49416	1.1
70.63781	1.5
70.64107	0.9
71.01272	0.9
80.96378	0.8
86.64570	1.0
98.20577	1.0
153.55696	0.7
175.53688	0.8
180.91879	1.5
207.17557	1.1
223.16985	13.4
224.17549	1.6
233.15530	1.6
233.18962	0.8
235.05200	1.2
239.16550	0.9
251.16481	14.0
252.16956	1.3
256.16769	3.6
261.45871	0.9
267.16080	1.2
284.16302	3.3
303.23325	9.9
320.92477	2.0
321.24323	100.0
322.24692	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	321.2068
Annotation	Rapanone
Peak:m/z	Relative Intensity
53.71959	0.5
55.04494	0.5
58.35968	0.5
59.01250	100.0
60.01598	1.2
71.57108	0.6
79.95592	0.8
96.24521	0.6
103.03897	1.1
106.36798	0.6
140.99927	0.6
178.72459	0.6
277.18109	1.6
289.85577	0.5
321.15366	13.4
321.20792	56.2
322.15698	1.3
322.21082	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	321.2435
Annotation	8(S)-HETrE
Peak:m/z	Relative Intensity
51.50153	0.6
52.72012	0.6
57.03319	2.4
59.01242	2.4
68.94552	0.6
70.86250	1.8
71.01257	0.7
77.12582	0.6
80.96416	0.7
97.06390	0.6
109.38139	0.6
113.09611	10.0
121.10102	1.7
174.85217	0.8
195.13820	3.9
199.13339	2.4
205.15874	1.6
207.13750	2.0
223.16924	4.2
239.33780	0.8
263.20114	4.1
264.20151	0.6
277.25183	0.9
303.23270	12.6
304.23389	1.1
320.92328	0.9
321.24344	100.0
322.24646	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	321.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	8.3
59.01236	5.6
60.45605	1.7
61.84875	1.3
65.03837	2.4
67.10780	1.5
68.02410	54.5
69.03333	3.0
69.38721	3.5
69.39146	9.6
71.01262	2.0
71.04888	11.9
73.02816	2.5
80.02548	2.8
81.03334	8.5
82.03962	1.6
83.04895	5.6
93.03323	12.1
95.04901	67.5
96.05238	2.3
97.06456	9.3
98.03543	1.5
99.08036	78.4
101.05972	3.6
107.04921	12.5
108.02046	1.7
109.06474	18.1
111.04413	10.1
121.02828	8.7
121.06483	6.2
122.03609	4.3
123.04414	4.8
123.08033	11.7
125.09618	57.6
126.99450	12.1
135.04410	8.0
136.05196	2.4
137.05959	2.2
149.06013	12.1
151.07558	100.0
152.07901	5.1
167.07024	8.7
167.10609	2.0
171.10207	16.8
177.12730	2.7
178.06302	3.8
185.11752	18.7
205.12268	7.2
219.13889	2.7
221.07361	2.7
221.11746	3.3
223.09593	1.7
223.13344	6.3
235.13304	2.6
237.11221	3.9
237.14984	1.8
247.13306	5.6
249.11270	2.6
263.12894	2.0
265.14426	32.7
266.14804	3.1
277.17990	2.1
279.16052	3.8
281.30392	1.4
293.17496	4.1
303.15997	15.2
321.17084	41.1
321.20544	1.8
322.13220	1.7
322.17401	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01579	1.0
71.01259	2.4
71.14965	0.9
71.19336	0.6
75.81204	0.6
89.02335	3.1
101.02337	0.8
112.28227	0.5
113.02323	0.8
119.03403	1.3
123.29825	0.6
131.75813	0.6
143.47031	0.6
149.90958	0.6
151.73058	0.5
249.36427	0.6
267.39371	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00445	4.1
59.01254	79.0
61.62193	2.2
69.05845	2.8
69.37733	22.6
71.01255	56.4
72.99172	5.8
73.02857	2.5
85.02810	9.7
89.02321	50.3
90.19170	2.3
91.10696	2.7
101.02321	33.7
113.02342	19.2
115.75584	2.2
119.03420	21.2
119.04915	15.6
124.77982	2.2
128.03397	3.6
130.63719	2.3
141.09113	17.2
143.04497	4.8
144.84319	2.6
151.57565	2.7
159.10124	4.8
163.03918	8.2
205.11937	2.6
321.03024	4.7
321.15533	100.0
322.15808	5.4
330.78778	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	321.1552
Annotation	Monamidocin
Peak:m/z	Relative Intensity
55.01736	1.2
57.03317	1.2
59.01250	11.4
69.44191	1.1
69.88424	3.0
69.88842	3.3
71.01260	12.8
73.02812	3.4
75.00726	1.0
83.01254	1.2
85.02824	5.5
89.02318	2.5
99.00771	1.2
101.02325	5.0
105.06799	0.9
113.02335	3.6
113.09587	2.8
128.03401	2.0
143.04488	1.7
159.10188	33.1
160.10548	1.5
185.11835	0.9
210.77182	1.0
217.88678	1.1
255.86055	1.0
272.08917	1.5
303.14545	2.4
305.62543	1.1
321.15533	100.0
322.15985	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	321.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45301	0.6
56.13673	0.7
58.58268	0.6
59.01250	100.0
69.04700	0.7
70.05731	2.0
71.01260	2.2
79.57521	0.6
83.01273	0.9
84.69462	0.7
85.02830	1.1
101.02335	1.8
113.02336	1.3
118.01611	0.6
118.59698	0.6
235.51520	0.7
243.39981	0.8
260.90024	0.7
261.13477	1.6
294.04132	1.0
322.03415	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52911	1.4
59.01250	100.0
66.32986	1.1
69.19603	1.1
69.38888	13.2
71.01254	8.6
74.60667	1.4
80.96390	2.0
85.02812	3.6
89.02318	7.9
98.20154	6.5
101.02319	5.6
106.85284	1.3
109.02817	1.8
113.02332	3.7
113.90038	1.6
119.03362	2.3
141.05524	3.0
161.04414	2.3
172.22792	1.4
277.06503	2.8
312.49835	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	319.2278
Annotation	19S-HETE
Peak:m/z	Relative Intensity
57.03320	1.0
58.00454	2.5
59.01248	9.8
63.52826	0.8
65.48753	0.7
65.53394	0.8
71.01237	1.1
71.58016	1.1
72.99182	1.6
73.02822	9.6
78.95778	1.6
83.04890	0.8
85.02828	1.1
97.06453	0.9
111.08041	1.3
116.51765	0.8
123.08091	0.8
125.05959	1.3
152.99475	2.8
153.99965	0.7
158.29950	0.8
205.19702	1.1
219.74136	0.7
250.15796	1.1
255.23412	1.0
256.23581	1.1
261.22147	2.0
273.22321	3.4
289.21527	1.1
291.23306	4.5
319.22766	100.0
320.23111	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	320.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01285	3.8
69.92937	5.6
69.93331	7.3
71.01272	4.5
75.38508	3.1
84.92600	2.6
128.04970	22.9
130.06502	28.6
132.04465	3.7
133.19583	2.7
144.04486	5.7
144.89114	3.2
157.05266	20.5
158.06033	100.0
159.06459	4.0
172.03954	11.9
215.91809	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0743
Annotation	Unknow
Peak:m/z	Relative Intensity
67.89868	12.6
69.43845	100.0
69.44250	20.5
70.53625	13.0
91.26608	17.1
96.67686	16.4
110.61313	14.5
329.57529	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	321.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86994	1.4
57.03323	77.4
59.01248	100.0
68.99684	1.3
69.03335	8.4
71.01251	33.2
71.01610	2.5
71.06335	3.2
75.00761	3.4
80.96404	2.3
81.03338	4.3
82.29446	1.3
82.55089	1.3
83.01251	7.0
84.04412	3.2
85.02820	16.8
86.02361	3.9
87.00741	12.0
89.02322	5.1
92.04935	3.4
93.03333	49.0
95.01270	4.5
96.95860	2.4
97.02828	11.3
99.00761	16.8
99.04392	92.3
100.04722	2.0
101.02330	16.3
111.00770	11.8
113.02331	6.2
114.09182	1.5
116.04922	4.3
117.01852	3.8
117.68351	1.2
118.02908	1.8
120.99566	2.2
123.04340	1.9
125.02335	47.9
127.03909	2.5
128.03450	2.6
128.93094	1.4
129.01831	89.8
130.02126	1.4
136.03932	2.5
141.01831	27.7
143.03415	3.7
153.10234	2.0
157.13307	2.8
159.02902	18.2
161.00020	1.5
161.04454	21.9
169.07684	2.2
171.09200	6.6
177.03966	37.3
181.09715	1.6
183.11368	15.7
184.09758	2.0
201.03955	19.0
201.12376	27.4
215.08208	15.1
219.05028	6.6
227.10258	4.6
241.07202	3.2
259.08185	2.1
277.09317	2.6
277.15521	2.9
303.13629	3.3
321.08646	7.1
321.14566	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1913
Annotation	Cespihypotin T
Peak:m/z	Relative Intensity
53.51634	0.4
59.01238	1.7
68.02407	3.7
71.58719	0.5
93.03333	1.7
95.04885	0.7
96.01910	3.9
106.03450	0.9
106.04118	12.7
107.04922	0.5
108.02052	4.8
109.66636	0.5
123.04410	2.3
126.99441	0.6
132.04858	0.5
132.05728	3.6
138.03125	1.6
158.07306	1.2
165.12695	0.6
178.31998	0.4
186.34433	0.4
195.13824	14.8
196.14101	1.0
204.51897	0.5
227.17943	0.9
245.19031	1.9
271.17023	27.7
272.17242	2.6
275.19852	1.1
283.17050	1.6
289.18088	16.0
290.18344	1.4
295.65237	0.6
301.14722	0.7
301.18045	9.0
302.18390	0.5
319.19110	100.0
320.19479	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	319.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02848	8.7
58.79414	0.8
59.01239	2.3
68.62665	0.9
69.25114	6.8
69.25538	2.4
71.01231	0.9
72.00785	5.5
82.06491	2.6
91.05399	10.6
112.07571	4.5
118.06494	3.4
129.10225	80.9
130.10655	1.1
135.04407	2.0
147.04419	27.9
148.04785	1.4
148.81670	0.9
153.10233	4.0
154.08624	10.6
164.07077	73.7
165.07466	2.3
171.11301	62.6
172.11674	1.3
183.11348	0.9
207.64003	0.9
216.13872	1.1
233.14174	1.6
233.16541	34.4
234.16988	2.3
236.89581	0.8
275.17691	7.1
277.15628	3.3
298.34250	1.0
319.16620	100.0
320.17053	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	319.166
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02853	6.1
59.01239	2.0
59.92173	1.1
62.86589	1.2
71.31505	1.1
72.00787	6.2
72.48924	1.1
88.96397	1.1
91.05402	13.2
94.85442	1.1
100.49210	1.1
105.03326	1.4
112.07605	1.8
118.06514	4.2
122.54063	1.2
126.09152	1.4
129.10226	64.4
135.04385	1.8
147.04420	30.2
153.10196	5.3
154.08636	14.4
164.07079	72.7
165.07399	2.7
171.09831	2.8
171.11310	51.4
204.20465	1.3
218.07341	1.1
233.16553	44.7
234.16866	2.7
275.17551	6.9
301.14441	1.3
319.16592	100.0
320.16949	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	319.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73447	1.4
59.01236	9.1
71.01241	2.6
79.95603	3.1
80.96387	2.8
85.02820	3.1
87.00731	1.6
89.71027	1.5
95.04886	4.0
98.20290	1.8
99.69505	1.7
100.00982	1.6
121.05261	2.7
122.05993	1.8
123.03175	2.4
126.10452	1.8
134.06053	4.2
136.07588	16.0
138.05490	10.8
150.05531	2.0
152.07079	5.1
157.08272	1.5
161.07097	5.9
185.11658	1.8
211.13289	4.1
214.12294	6.1
227.08234	6.3
227.11716	2.3
228.09016	5.4
229.14394	2.2
232.13431	2.9
242.10667	10.2
248.07858	1.7
257.12927	100.0
258.13263	6.8
275.13943	6.2
301.11862	6.1
319.12637	3.2
319.16049	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	319.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07313	2.1
53.08286	1.8
58.59026	2.0
59.01242	9.3
70.94712	2.3
71.01241	4.1
72.99181	2.3
73.02838	1.9
93.06963	9.0
95.04887	1.9
101.02288	3.4
110.02377	3.7
120.04459	2.5
121.05223	5.7
122.05993	26.0
124.07587	5.3
134.05998	9.1
136.03893	3.5
136.07584	100.0
137.07872	4.1
138.05495	38.1
140.07074	16.1
151.06303	31.4
152.07004	7.0
164.07100	5.5
165.12726	2.9
168.06618	13.2
174.05489	2.7
177.07883	4.3
180.06563	2.7
183.13808	2.0
188.07108	11.8
189.07851	8.5
191.09467	11.0
197.28401	2.3
203.09465	33.2
204.10124	4.4
214.12389	5.5
216.10300	2.3
227.08228	3.6
227.12810	11.3
228.08963	15.5
231.07730	3.6
231.12654	2.2
232.08456	2.0
232.13399	20.8
242.10490	10.0
245.09155	2.8
245.13940	8.1
246.10068	12.0
247.10825	7.6
257.12933	75.5
258.13425	4.4
259.10834	4.4
275.13995	34.7
276.14319	2.6
301.11914	5.6
319.12988	94.7
319.17288	6.6
320.13306	7.4
332.81335	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1401
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
55.01754	1.8
58.00457	3.2
59.01254	68.5
62.04807	1.6
71.00893	3.1
71.01258	41.6
71.56573	1.9
72.99182	4.7
73.02827	4.8
83.01237	3.4
83.53406	1.7
85.02827	11.2
87.00775	3.2
89.02324	30.2
99.00735	3.0
101.02322	26.8
113.02329	16.4
115.19593	1.6
119.03377	13.5
130.03139	2.2
130.21033	1.6
139.07550	17.5
146.08101	2.2
157.08537	3.0
159.80807	1.5
252.62343	1.7
277.12262	3.3
296.12405	1.8
319.13956	100.0
320.14294	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	319.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90096	1.1
59.01246	11.2
66.55084	1.3
68.03310	1.2
69.43521	5.9
69.43940	4.6
70.02850	1.9
71.01263	5.8
72.00773	2.7
74.02353	1.7
78.09405	1.3
80.10489	1.1
83.01258	1.3
84.04436	2.2
85.02824	1.4
85.13553	1.3
96.95915	4.0
98.19754	1.2
101.02365	1.2
109.01580	5.2
110.02356	9.2
112.03922	12.0
116.04961	4.6
119.04897	3.0
120.04478	2.5
121.05199	5.9
122.06009	6.8
123.03140	14.9
124.03937	17.6
134.06003	1.6
136.07579	47.3
137.02371	1.7
137.05981	4.8
137.07924	1.6
138.05504	100.0
139.05873	2.7
140.07059	3.7
150.05505	2.1
158.17876	1.4
159.09138	1.4
163.03963	3.1
166.05019	1.4
178.97992	1.6
182.04532	11.8
183.05267	7.4
184.06090	26.1
184.07613	2.5
197.81052	1.4
201.11256	1.9
203.08150	12.3
209.11702	2.2
215.04333	3.8
215.08202	2.0
239.00174	5.9
257.12939	13.7
275.13974	2.8
283.07269	8.7
301.08237	2.2
303.30237	1.2
319.13156	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	317.1971
Annotation	oscr#16
Peak:m/z	Relative Intensity
57.03334	6.1
59.01254	74.1
60.01587	1.3
65.20602	1.1
69.03307	1.6
69.71462	4.5
69.71896	4.5
71.01252	2.4
71.04895	5.2
72.99166	1.8
73.02842	3.1
74.10621	1.2
78.36545	1.3
83.04910	4.0
85.06461	4.4
87.00739	1.5
91.03889	1.8
95.04905	3.8
97.02846	3.3
97.06472	9.6
99.00758	21.4
99.04420	1.2
99.08032	11.0
101.02314	2.8
105.01835	1.7
109.06498	3.4
113.05988	3.5
115.03889	1.4
115.07535	1.6
125.09619	6.4
127.07533	1.8
127.11156	6.5
129.09140	5.2
137.09634	5.5
139.03979	1.6
139.07610	2.5
139.11194	26.5
141.05545	1.5
143.10684	1.6
155.10677	2.3
157.12259	14.5
159.06563	9.1
163.11182	5.3
181.12271	10.8
199.13359	25.0
200.13742	1.5
207.10205	16.1
225.11292	38.9
226.11588	2.7
243.12349	34.7
244.12645	2.0
246.43472	1.2
299.15344	1.9
299.18585	11.0
317.16043	33.9
317.19699	100.0
318.16562	2.8
318.20081	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	319.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	16.9
61.30577	1.4
70.02857	4.3
71.01245	6.9
71.57581	2.1
72.00791	4.2
72.99187	2.1
74.02354	1.7
84.04454	2.2
85.02857	1.5
86.88726	1.7
89.02336	2.6
95.04930	2.1
96.00826	1.6
96.95895	4.6
99.00743	1.7
101.02288	2.3
108.75476	1.3
109.01567	10.5
110.02368	12.5
112.03937	10.9
114.01865	1.5
116.04963	10.3
119.04906	2.4
120.04450	3.7
121.05232	7.0
122.06027	9.5
123.03147	19.8
124.03931	18.6
134.06030	1.9
136.07581	46.2
137.05975	4.3
138.05504	100.0
139.05882	2.2
140.07082	4.8
142.06543	4.0
150.05544	2.1
157.08614	1.7
159.09264	2.0
163.03941	2.0
178.97972	3.0
182.04482	9.7
183.05270	6.0
184.06090	22.5
203.08202	17.3
209.11786	5.2
215.04295	3.0
239.00143	7.2
240.00632	1.5
243.11368	2.2
248.72827	1.6
257.12845	10.3
283.07233	11.7
301.08469	1.6
319.13126	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	317.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49035	0.2
59.01228	0.4
69.03320	0.5
70.01820	0.9
83.04913	0.4
93.03334	8.5
101.57152	0.2
142.46815	0.2
145.44966	0.3
155.10654	0.2
165.12730	0.4
167.10735	0.3
167.14281	0.7
183.13828	7.7
184.14183	0.5
193.12286	2.6
211.13336	100.0
212.13667	4.8
212.15593	0.4
220.10454	0.2
223.13342	1.9
299.16632	0.3
317.17569	19.6
317.83856	0.2
318.17957	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	317.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32037	0.3
51.55990	0.3
55.56363	0.3
58.86058	0.3
59.01232	0.4
63.53858	0.3
69.03293	0.5
71.13337	0.4
93.03330	11.9
130.41103	0.3
155.10622	0.4
167.14302	0.7
183.13815	8.2
193.12276	1.5
205.12286	0.4
211.13330	100.0
212.13713	4.7
223.13326	3.0
316.86108	0.4
317.17584	10.8
318.17917	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84660	0.3
57.03326	0.3
61.51776	0.3
67.68600	0.3
69.03345	0.3
70.69607	0.6
83.04868	0.6
83.21548	0.3
87.21255	0.2
91.34700	0.2
93.03339	15.7
93.15605	0.3
94.03667	0.3
94.77868	0.3
101.30038	0.3
107.31756	0.2
152.42549	0.3
152.44228	0.3
167.14314	0.6
182.85651	0.3
183.13840	8.0
193.12292	2.2
194.12587	0.3
195.13855	0.3
211.13336	100.0
212.13686	5.6
223.13344	4.4
223.15410	0.5
268.37085	0.3
317.17581	16.1
318.17911	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	317.1971
Annotation	oscr#16
Peak:m/z	Relative Intensity
56.26616	0.7
57.03316	2.7
59.01254	100.0
60.01578	1.2
69.92471	2.2
69.92886	2.6
71.01226	1.4
71.04877	3.8
73.53937	0.8
74.02334	0.8
75.00742	0.9
78.95770	1.1
80.96400	4.0
83.04905	6.5
85.02819	2.0
85.06464	0.9
93.03329	1.0
95.04900	5.1
97.06461	1.3
98.19857	1.7
99.08047	5.1
101.02316	3.3
101.05981	7.9
109.06487	10.9
113.05972	1.7
113.09609	0.9
129.09106	2.0
137.02339	1.3
137.09636	6.4
139.07501	4.1
139.11160	2.5
153.12689	1.0
155.10670	4.1
157.08647	1.0
157.12146	1.8
159.06520	1.9
165.12733	0.8
171.10175	0.9
181.12190	1.7
185.11714	5.5
197.11736	2.9
198.12109	0.8
199.13359	12.5
207.10246	1.4
215.12729	1.3
221.11722	2.0
225.11194	1.1
235.13289	0.9
239.12794	2.6
243.12338	3.7
255.06680	1.1
255.15930	3.4
257.13889	4.1
257.17538	1.0
299.15546	1.3
299.18530	5.5
317.16043	12.9
317.19623	79.6
318.16556	1.1
318.20074	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	317.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07784	1.0
56.15747	0.9
57.03311	2.7
59.01246	12.3
69.03313	1.5
69.66553	1.2
71.01247	8.9
71.04884	7.2
71.57370	1.5
72.99152	1.7
73.02835	1.3
83.04915	1.9
85.02837	1.4
87.00762	1.7
89.02304	5.0
89.14326	1.0
91.03887	2.8
92.60643	1.2
97.02832	6.3
97.06470	5.9
99.00758	33.6
101.02315	3.1
106.60632	1.0
108.04452	1.2
109.06479	2.4
110.03629	1.5
111.04385	1.2
113.02339	1.3
119.03337	1.5
123.08085	2.7
125.09612	14.5
127.11131	1.5
133.02869	1.6
133.56764	1.2
135.08049	1.4
142.02606	2.6
142.38133	1.1
153.12753	2.2
155.14287	1.8
163.11195	18.7
167.91382	1.2
171.10274	1.2
181.12260	53.3
182.12587	3.7
197.11772	2.2
199.13332	42.7
200.13712	2.0
201.11252	1.6
207.10196	56.6
208.10593	3.0
209.11819	6.1
225.11266	100.0
226.11671	4.5
227.12851	3.4
243.12347	94.2
244.12730	7.0
255.11345	6.0
273.12424	10.0
293.15082	1.1
317.12283	2.9
317.16089	67.5
317.19739	9.7
318.16400	6.4
318.19751	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	317.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	17.0
68.08424	1.4
68.32726	1.5
69.45353	10.2
71.01250	3.4
71.04870	3.5
72.99213	1.8
74.02367	2.4
75.11385	1.5
75.24986	1.4
85.02825	1.9
91.03901	4.3
97.02858	2.0
97.06445	3.7
98.20493	3.1
99.00752	24.4
105.01816	4.1
109.06458	2.7
125.09613	5.4
127.11301	2.2
137.09578	1.6
155.14319	1.8
157.08701	2.1
163.11281	6.3
171.10229	2.1
181.12277	30.4
181.13741	2.7
182.12706	1.9
185.11775	3.9
197.11774	8.1
198.12041	2.1
199.13347	88.9
200.13641	4.8
207.10211	18.3
225.11285	56.5
226.11661	3.7
229.14449	4.9
232.17551	1.4
233.91652	1.6
239.12863	2.3
243.12346	61.4
244.12714	2.5
255.16096	3.0
257.13965	2.5
260.29074	1.5
299.15012	4.1
317.16098	100.0
317.19693	9.4
318.16254	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	317.0433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16304	25.7
64.59519	27.4
71.14330	52.9
71.14687	48.3
75.38245	23.4
85.82525	24.9
93.03333	100.0
115.00250	86.9
188.81073	28.0
201.99077	32.5
204.84877	28.0
221.04456	84.7
226.57568	28.4
241.61331	27.4
304.19049	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	317.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	0.5
65.01318	2.2
66.00848	0.7
69.29615	2.6
69.30046	1.9
76.71880	0.5
78.02387	0.4
90.71297	0.4
93.01942	100.0
94.01643	0.8
94.02277	0.9
104.01122	0.5
126.99457	45.4
127.99737	1.0
147.04230	0.4
159.03023	2.7
174.05379	3.6
175.24901	0.4
177.07733	2.4
189.07724	4.5
190.08423	0.5
256.58026	0.4
311.23346	0.4
317.08026	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	317.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	9.0
62.64785	1.3
66.13463	1.5
71.01260	3.5
71.04896	6.3
85.74738	1.4
89.02294	2.7
91.03880	3.9
93.03338	2.0
97.02834	4.6
97.06476	5.0
99.00749	28.8
100.01064	1.3
109.06485	2.3
110.03602	1.6
123.08031	4.1
125.09600	13.6
127.11203	2.6
142.02640	2.2
148.16042	1.5
153.65410	1.4
155.14258	1.8
163.11179	17.3
181.12251	45.4
182.12605	2.2
197.11746	3.7
199.13339	56.5
200.13712	2.8
207.10202	51.3
208.10609	2.3
209.11864	1.9
220.03702	2.9
225.11275	100.0
226.11621	6.0
227.12918	1.9
229.17418	1.8
243.12360	90.2
244.12816	4.0
274.43042	1.4
317.16058	79.7
317.19485	4.0
318.16443	5.4
338.60785	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	317.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.0
57.03327	1.6
59.01253	15.7
69.32575	2.6
69.32989	5.7
71.01237	1.5
71.04894	4.8
83.04887	1.0
85.02789	0.9
85.86726	0.8
87.00754	24.8
91.03872	1.5
95.04926	2.1
97.02823	4.4
97.06469	3.9
99.00753	45.3
99.08049	1.6
100.01079	1.1
109.06506	1.5
110.03597	1.3
113.02327	4.5
123.08037	1.5
125.02335	1.8
125.09615	13.7
127.11182	1.5
133.02882	2.0
133.04994	3.2
136.05191	1.6
139.11176	2.5
142.02661	1.7
153.12666	1.1
155.14310	2.3
157.12268	1.4
163.11189	9.1
176.22797	1.0
176.94650	0.8
177.01877	1.1
181.10776	2.0
181.12262	23.2
185.11710	1.7
197.11830	2.0
199.13344	38.1
207.10194	38.5
208.10574	2.4
209.15428	3.2
211.13373	1.3
220.03795	2.8
225.11269	100.0
226.11555	5.8
243.12337	83.3
244.12703	4.6
281.13916	3.7
299.10440	1.0
299.14975	2.0
299.18588	0.9
317.16089	78.6
317.19711	10.3
318.16516	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	315.2541
Annotation	9,10-Dihydroxystearic acid
Peak:m/z	Relative Intensity
57.03318	0.5
59.01247	0.5
60.73825	0.2
67.93963	0.2
69.11111	0.2
69.27369	0.2
70.00905	0.2
71.59650	0.2
116.93904	0.2
125.09621	0.7
127.11182	2.3
141.12749	0.7
155.10657	0.3
169.12300	0.6
171.13834	0.8
253.21718	0.6
267.23343	0.8
269.24918	1.2
297.24371	2.9
313.23822	1.5
315.25394	100.0
316.25739	7.7
334.26541	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79747	1.0
59.01258	2.1
64.44767	0.9
69.50148	8.8
75.24158	1.0
81.03322	1.8
83.04903	5.2
84.02032	1.5
88.03912	40.2
96.95862	1.4
98.19752	1.9
120.98381	0.9
134.62807	1.3
151.35243	1.0
162.93909	1.0
163.11171	3.4
165.12691	1.9
182.38235	1.0
182.67073	1.0
209.11763	100.0
210.12111	3.9
227.12823	40.1
228.13269	2.0
327.81161	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.254
Annotation	12,18-dihydroxystearic acid
Peak:m/z	Relative Intensity
57.03313	1.3
62.21561	0.4
80.42912	0.4
81.60889	0.3
83.04887	0.9
85.06448	0.4
86.00738	0.4
109.06471	0.6
111.08041	2.5
113.06013	0.4
113.09613	4.8
123.08050	1.9
139.07419	0.4
141.09100	1.9
153.12712	0.6
155.14317	7.8
156.14644	0.4
169.15886	3.7
191.59164	0.4
215.07094	0.4
221.24118	0.4
227.25076	0.4
239.23750	4.7
249.22246	1.0
251.23674	1.9
267.23270	8.8
268.23706	0.5
269.24844	19.3
270.25208	1.4
315.19388	4.1
315.25375	100.0
316.25751	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	315.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00463	0.6
59.01241	1.0
60.57058	0.3
71.46404	0.6
72.28001	0.3
73.74314	0.3
75.11625	0.3
80.93116	0.3
95.04914	4.3
96.66136	0.3
98.10991	0.3
102.83517	0.3
125.09609	1.1
127.11202	3.4
139.11215	0.6
141.12749	5.1
143.10701	1.1
146.19928	0.3
147.50201	0.3
153.09172	0.4
153.12721	0.5
155.10712	1.2
157.12212	1.0
168.99049	0.3
171.10226	2.7
171.13826	1.5
201.03017	0.4
201.11223	1.3
228.03134	0.4
239.23688	0.4
246.12323	0.7
269.24789	0.8
278.11377	5.1
279.23251	1.6
295.22855	0.6
297.24368	8.8
298.24652	0.8
313.23868	5.3
315.17484	3.6
315.25394	100.0
316.25742	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2539
Annotation	9,10-Dihydroxystearic acid
Peak:m/z	Relative Intensity
52.57053	0.3
54.63826	0.3
58.00452	0.6
59.01255	1.9
71.43984	0.5
93.88165	0.3
97.06470	0.4
99.40195	0.4
107.57166	0.4
124.38128	0.3
125.09599	0.9
127.11201	2.6
129.27451	0.3
141.12741	4.8
143.10651	1.6
148.59554	0.4
155.10680	1.2
157.12201	0.4
169.12250	0.6
171.10187	4.3
171.13815	1.6
172.05080	0.7
201.11293	1.4
232.97478	0.8
279.23203	2.4
283.13370	3.1
284.13733	0.4
295.22717	1.1
297.24377	8.1
298.24783	0.5
311.22260	0.9
313.23849	8.8
314.24094	0.6
315.16907	2.0
315.25375	100.0
316.25717	6.3
337.44067	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28534	0.4
55.46916	0.4
57.03306	0.6
58.00470	1.5
59.01257	5.4
62.93958	0.4
69.61594	0.6
69.62006	2.8
72.99191	0.4
83.04902	0.6
97.06470	0.6
98.20622	0.6
99.08035	6.8
113.09609	1.4
118.70474	0.4
127.07538	1.4
129.09106	5.3
130.82675	0.4
135.11702	0.5
139.11174	0.5
139.97661	0.4
141.09074	0.6
149.09692	0.5
153.12761	1.0
155.10683	9.2
163.14745	0.4
164.35159	0.4
167.10693	4.8
169.12274	2.5
179.10687	1.6
183.10185	1.4
185.11769	16.2
197.11751	8.1
198.12036	0.5
213.11316	1.3
215.12778	0.8
217.19574	1.3
233.19109	0.4
234.60033	0.4
235.20638	0.4
261.18570	1.0
279.19678	2.3
297.20810	2.9
315.21756	100.0
316.22101	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	315.1813
Annotation	oscr#15
Peak:m/z	Relative Intensity
57.03311	4.4
59.01252	100.0
68.99676	2.9
69.03336	2.0
71.01242	4.4
71.04891	3.5
72.59086	1.3
72.99165	2.4
73.02808	5.5
75.00694	1.8
81.03340	2.0
83.04899	9.0
83.05348	1.8
85.02808	4.1
87.00757	1.5
93.03310	2.1
95.04889	4.4
97.02787	1.7
97.06467	9.7
98.19817	2.8
99.07994	1.6
101.05952	4.6
107.08556	1.5
108.02013	4.3
109.02856	1.9
109.06457	7.7
111.04392	3.1
111.91222	1.3
113.05961	2.3
121.02838	2.3
125.09550	2.2
134.03653	2.3
135.04445	1.8
135.08047	2.6
137.09590	4.9
139.07529	2.9
143.06990	4.5
149.05956	1.6
152.01031	4.4
153.01849	1.8
153.09132	2.4
155.10654	2.2
162.03050	1.6
169.12279	14.7
171.10144	4.6
177.12679	1.5
181.08643	2.7
183.10168	5.0
185.11745	1.6
197.06018	1.4
197.10059	2.1
197.11783	12.9
198.12140	1.5
201.11287	3.0
209.11732	2.5
223.09665	4.4
223.13141	1.8
226.06325	10.6
227.06726	1.3
235.13309	5.7
237.14786	1.6
241.08542	5.3
241.10789	3.9
264.58527	1.3
267.10300	2.0
287.06824	1.4
297.07700	2.1
297.13525	2.2
297.17035	5.1
315.14429	12.5
315.18045	84.6
316.18405	5.1
322.18298	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	315.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02933	1.1
57.03337	1.0
59.01249	13.2
69.01842	1.3
70.87965	1.0
71.57311	1.0
71.57689	1.8
79.05387	5.8
83.04887	3.3
83.58391	0.9
84.77409	0.8
101.04161	1.0
105.32942	1.1
110.88977	1.1
119.08541	10.4
121.06495	1.8
123.04282	1.1
129.27391	1.0
131.08565	6.2
137.09625	3.5
187.14758	2.4
222.84781	1.0
232.97395	2.9
237.16402	1.8
253.19562	7.7
258.42133	1.1
271.20645	15.0
315.19595	100.0
316.19974	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	315.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03611	0.3
57.03317	0.7
58.00462	1.5
59.01256	6.6
69.03308	0.3
70.81791	0.3
71.01247	0.4
71.37802	0.6
72.99178	0.7
73.70440	0.3
80.52896	0.3
83.04891	0.5
97.06468	0.5
99.08041	6.3
109.01554	0.3
113.09602	1.3
127.07564	0.9
129.09103	4.9
135.11642	0.6
139.11185	0.8
141.09137	0.5
141.12708	0.8
149.09625	0.6
153.12798	0.5
155.10693	9.8
155.11966	0.5
156.11047	0.7
163.14832	0.5
167.10696	5.1
169.12260	2.1
179.10664	1.4
179.28630	0.3
183.10161	1.6
185.11760	14.0
186.12099	0.4
197.11765	9.1
198.12146	0.4
201.11298	0.3
213.11281	1.4
215.12869	0.7
217.19551	0.8
233.11635	0.4
234.27768	0.3
261.18610	0.9
279.19690	2.8
297.20734	2.8
315.21753	100.0
316.22079	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	315.124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03551	4.0
58.73097	4.1
59.01244	11.4
69.33510	4.7
70.72134	13.0
87.00767	5.3
107.04920	11.3
121.02829	17.0
131.04898	8.2
133.06538	4.9
134.03624	7.8
135.04390	25.4
135.31563	4.0
160.05157	11.8
160.24797	5.4
161.06009	25.2
171.11522	4.8
237.09090	25.2
247.07492	4.7
248.08376	8.4
249.09068	24.2
267.10269	100.0
315.14838	5.5
315.18192	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	315.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23032	0.6
59.01258	0.5
69.24042	0.5
70.92175	1.6
83.72534	0.5
86.02388	0.5
93.03341	5.1
106.04099	1.3
107.04929	0.6
107.79116	0.6
108.02045	1.3
119.04899	1.4
121.02844	10.0
130.04121	1.5
131.04936	5.0
132.05675	0.7
133.06502	0.9
134.03659	1.2
135.04370	1.6
143.04944	5.0
145.02910	1.1
147.08015	1.4
147.68558	0.6
156.05731	0.9
159.04391	1.4
160.05247	4.7
161.06012	6.6
209.09608	0.6
222.06810	1.1
223.07565	0.6
226.19699	0.6
235.07625	1.3
236.08406	3.4
237.09177	100.0
238.09480	7.7
241.08685	0.6
247.07701	0.9
248.08371	2.9
249.09148	7.6
255.10191	1.8
267.10278	25.7
268.10550	1.4
285.11349	5.7
314.50778	0.7
315.12216	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89354	0.4
51.84611	0.4
57.03307	0.9
59.01253	4.2
69.03318	2.8
71.01248	1.2
71.04897	2.2
71.57966	0.7
85.02801	0.8
87.00757	4.7
87.30019	0.5
89.02308	0.8
91.03867	1.7
93.03345	0.8
97.47660	0.5
103.00230	1.2
108.01991	0.5
123.08023	0.7
125.09602	1.5
132.04443	0.7
138.24504	0.4
150.05473	0.6
151.11183	1.8
152.07114	1.2
153.12762	2.2
161.09613	2.9
171.10327	0.5
177.55681	0.4
179.10690	13.4
180.11000	0.8
193.87492	0.5
197.11763	100.0
198.12079	4.7
199.13451	0.4
209.11752	0.8
213.08064	0.5
223.09727	2.8
227.12755	0.7
240.10262	0.8
241.10783	15.9
242.11018	0.5
260.47543	0.5
263.53256	0.5
285.13541	0.5
315.14484	37.7
316.14789	2.4
316.44601	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0721
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
50.29601	0.4
51.33271	0.4
54.54746	0.4
55.66575	0.5
59.01258	0.6
64.26403	0.4
65.72389	0.4
70.71143	1.3
71.01252	1.5
73.02813	1.0
76.96803	0.4
81.03328	1.0
85.02841	2.4
95.01268	1.0
96.95912	0.7
98.15211	0.5
99.64439	0.4
101.02324	0.6
108.02050	100.0
109.02850	34.8
109.03941	0.6
110.03194	1.1
113.02310	0.8
121.02824	1.1
123.00740	1.1
123.04365	0.8
129.66112	0.4
133.02795	0.5
133.07607	0.4
135.00790	0.5
151.03899	1.9
152.01053	60.6
153.01842	27.1
154.02176	0.9
163.03877	1.2
165.01851	1.6
199.64967	0.5
200.84264	0.6
206.36446	0.5
211.11139	0.4
213.44617	0.5
215.56702	0.4
230.38069	0.4
315.07211	66.6
316.07611	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	315.0721
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
59.01235	0.8
59.34438	0.4
69.03297	0.4
69.74468	1.0
69.74883	1.4
71.01254	1.9
73.02790	0.4
81.03313	1.3
85.02823	2.2
93.03339	0.6
95.01267	1.1
101.02312	0.6
108.02048	100.0
109.02863	23.6
112.31068	0.4
113.02328	1.0
121.02841	1.0
123.00768	0.9
123.04320	0.5
133.02846	0.5
135.04404	0.5
151.03969	1.1
152.01051	52.4
153.01845	21.1
154.02209	0.6
163.03891	1.1
165.01830	1.3
213.70126	0.5
260.01675	0.4
315.07208	62.5
316.07596	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80140	12.4
59.01240	58.7
70.03561	49.9
82.39538	11.8
85.83689	15.8
88.03881	16.7
90.34452	12.0
111.67628	12.5
209.11658	22.3
237.09167	100.0
238.09474	13.2
267.10156	48.7
292.09769	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	315.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37660	1.8
58.17754	1.8
69.25787	20.6
69.26191	3.8
86.22864	2.2
93.03341	7.0
98.20541	4.8
105.37899	1.9
108.02116	2.7
121.02827	10.1
131.04909	3.8
143.04961	5.9
157.15591	2.4
160.05252	3.7
161.06029	10.5
166.59348	2.1
195.08029	3.6
197.09636	6.9
203.61710	2.3
211.07587	2.3
215.10745	2.8
236.08423	4.7
237.09180	100.0
238.09526	8.7
249.09216	8.6
253.07375	2.2
267.10260	29.9
268.10660	4.0
285.11359	12.4
315.12030	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	314.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	2.3
61.98703	1.1
63.91919	0.8
71.58131	1.5
74.02347	100.0
77.58062	1.0
109.02907	1.1
112.07560	3.5
113.09642	1.5
118.04984	5.2
126.74432	1.0
152.00925	1.0
193.00246	1.0
224.16562	7.9
252.16066	14.5
270.17111	52.6
271.17368	2.7
276.59140	1.1
314.19727	17.4
314.24112	4.7
315.21680	1.1
320.42426	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80389	0.6
59.01252	0.7
61.44968	0.5
65.03830	1.1
71.01259	2.0
71.13906	1.6
73.02800	0.8
77.73093	0.6
81.03332	0.9
83.01255	0.7
85.02834	2.4
95.01257	1.6
101.02314	1.2
108.02055	100.0
109.02846	57.3
110.03158	1.6
113.02289	0.7
121.02856	0.9
123.00739	1.1
123.04420	1.1
134.20473	0.6
135.00789	0.7
151.03877	1.9
152.01059	62.8
153.01842	51.1
153.02875	0.6
154.02202	0.7
155.84377	0.6
163.03925	1.2
165.01836	2.3
199.08156	0.5
224.92537	0.7
225.04022	0.6
241.54263	0.6
247.58612	0.6
279.50073	0.5
279.58273	0.6
293.34186	0.6
300.24014	0.5
306.68140	0.6
310.26413	0.7
315.07220	75.3
316.07614	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	313.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.8
58.00474	0.6
59.01273	2.6
59.01519	0.7
61.56961	0.4
69.39032	1.1
69.39436	2.7
71.01247	0.9
83.04885	0.9
97.06471	0.6
99.08055	0.6
109.06465	0.9
111.08040	0.9
113.09610	0.8
121.02888	0.5
125.09624	0.9
127.11186	1.4
129.05461	0.8
139.11176	1.3
141.09117	6.0
141.12750	9.7
153.09132	3.5
153.12764	0.5
155.14343	3.9
157.08627	8.7
167.14351	0.4
171.10191	5.1
171.13795	1.9
187.09700	1.3
199.02213	0.9
201.11275	0.9
205.19609	0.7
231.42897	0.4
233.22670	0.5
249.22226	2.0
277.21664	3.3
295.22806	5.4
296.23132	0.7
311.22302	0.7
313.16895	3.6
313.23846	100.0
314.16766	1.0
314.24173	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	313.2384
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
57.03320	1.3
59.01260	0.9
64.46800	0.4
69.83289	2.4
70.67172	0.4
71.04870	0.4
74.48206	0.4
98.19846	0.5
99.08041	2.3
100.66806	0.3
111.08087	0.6
121.02847	1.2
127.07512	0.6
127.11175	1.2
129.06966	0.4
129.09093	2.0
137.09578	0.6
139.11203	3.1
139.77756	0.4
145.85297	0.3
155.10692	2.7
155.14355	1.1
157.12267	0.5
171.10176	0.4
175.89482	0.4
183.13838	4.7
195.13800	1.9
225.22183	1.1
253.21605	0.8
267.23270	0.7
269.24963	0.4
277.21652	0.7
283.02444	0.4
295.22824	2.5
296.23096	0.5
311.22202	1.0
313.23856	100.0
314.24155	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	314.1762
Annotation	Belladine
Peak:m/z	Relative Intensity
50.61542	1.0
59.01238	1.6
70.02841	0.8
70.37144	2.2
70.37540	1.7
72.00776	8.1
78.95777	2.2
83.19187	1.0
90.55267	0.9
91.05414	1.6
96.04413	1.2
98.05984	3.7
99.08041	1.1
102.17741	0.9
147.04428	28.6
164.07085	100.0
165.07446	4.8
187.72997	0.8
198.97842	0.8
202.12323	1.3
216.05957	0.9
224.97377	1.1
230.65648	0.9
255.53098	0.9
296.23260	1.5
314.17615	21.6
314.24118	14.0
315.04990	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	313.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18126	0.7
57.03339	0.7
58.00464	1.8
70.18750	0.7
71.06855	2.1
87.81573	0.6
97.06480	0.9
99.08066	0.9
125.09590	5.1
127.11205	6.8
129.59276	0.6
137.09622	1.0
137.12791	0.7
139.11168	0.9
155.10713	3.3
157.12267	1.1
165.09132	2.7
171.10172	7.4
172.08678	0.7
183.10178	1.9
199.09712	2.6
201.11266	49.7
202.11584	2.0
223.60527	0.7
277.21750	4.6
295.22824	5.3
313.23834	100.0
314.24286	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	313.2386
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
54.70835	0.4
57.03329	4.5
69.03318	0.4
71.04893	0.7
72.99164	0.5
73.02825	1.0
83.04884	0.6
90.64498	0.4
97.06467	1.5
98.20562	1.4
123.08065	0.5
125.09599	1.2
139.11186	1.1
141.12773	1.6
153.09082	0.4
155.14322	11.2
167.14322	1.0
169.12227	0.7
185.00687	1.7
225.27187	0.5
237.22426	0.6
239.23764	6.7
240.24040	0.4
249.22270	0.8
267.23291	44.2
268.23578	3.2
273.02750	0.5
313.16599	5.0
313.23849	100.0
314.24200	8.9
314.27292	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2386
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
59.01253	0.6
64.64605	0.4
70.33578	1.9
78.95739	0.5
113.09629	0.5
127.11228	0.7
139.11176	0.8
155.10695	16.0
156.11021	0.9
157.12238	1.5
181.13243	0.4
185.11800	0.6
199.00653	0.4
235.20657	0.5
251.20222	0.5
253.38681	0.4
261.22513	0.4
277.21750	0.6
295.22800	11.7
296.23016	0.7
311.22092	0.7
313.23849	100.0
314.24182	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	313.2385
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
56.37259	1.0
57.03313	3.3
59.01250	2.8
62.21667	0.8
63.21368	0.8
69.60501	6.9
98.20479	1.8
111.08078	1.2
113.09576	1.0
127.11193	1.3
141.09111	8.5
141.12733	3.0
153.09142	4.2
155.14336	3.9
157.08598	14.6
171.10176	6.3
171.13844	2.9
187.09607	2.2
205.19460	1.1
233.22638	1.0
244.70117	0.9
277.21667	5.3
295.22754	9.0
313.23840	100.0
314.24234	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	313.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.4
59.01237	2.7
71.01241	1.2
71.35100	1.5
73.39017	0.6
74.15820	0.5
75.33121	0.6
83.04895	0.7
94.59937	0.6
111.08031	2.1
113.09628	1.3
114.13165	0.6
125.09644	0.6
129.05440	0.5
137.58453	0.6
139.07506	0.9
141.09102	8.2
141.12787	3.9
153.09102	4.0
153.12770	1.1
155.14337	4.0
157.08615	15.5
171.10185	5.8
171.13824	2.7
185.00685	3.4
187.09682	2.3
233.22647	1.3
267.23425	0.7
277.21750	3.0
295.22812	5.8
296.23044	1.0
313.17188	7.5
313.23849	100.0
314.16696	0.8
314.24182	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	313.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53596	0.6
58.00472	3.5
59.01244	1.5
61.89906	0.7
96.58842	0.6
97.06445	0.9
98.20338	4.2
99.08031	16.0
108.45129	0.6
127.07554	2.9
129.09099	20.2
140.95656	0.6
171.10095	0.7
172.10562	0.8
173.10770	1.1
179.99889	0.6
183.13823	35.6
184.14169	2.0
185.11876	0.8
195.13896	3.3
206.93102	0.6
214.19640	0.6
277.21603	2.4
292.76971	0.6
293.21277	0.7
295.22635	9.7
296.23294	0.9
297.49200	0.6
313.23807	100.0
314.24152	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	313.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66040	0.7
53.49625	0.9
57.03319	0.8
58.00467	3.1
59.01248	1.2
71.01266	1.0
71.57915	1.0
75.00732	1.0
76.01720	0.8
76.83136	0.8
78.95776	0.8
93.03345	0.8
97.06478	0.9
99.08031	17.2
109.26981	0.9
111.08060	1.1
127.07514	3.0
129.09106	19.1
133.06219	0.9
139.11205	1.8
179.72650	0.8
183.13832	30.9
184.14149	1.7
195.13786	5.0
199.43906	0.8
207.09998	5.2
245.19116	2.2
277.21790	4.2
295.22800	9.8
313.18399	10.0
313.23804	100.0
314.18277	1.7
314.24191	9.3
336.04077	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.5
59.01254	5.3
64.51614	1.1
67.18529	0.8
69.32341	9.8
80.69649	0.8
83.04904	3.6
93.03352	2.2
107.14063	0.8
111.04395	1.4
111.08018	1.2
111.15739	0.9
120.89586	1.1
127.07531	5.0
129.05478	11.4
141.09074	6.8
141.12756	3.1
143.07001	1.4
153.09106	4.1
155.07042	2.0
167.14326	1.0
171.10167	2.6
171.13846	3.0
183.17477	1.1
201.11179	1.1
205.19522	1.1
244.10861	2.4
261.49390	1.0
277.21661	3.8
295.22778	5.7
313.23846	100.0
314.24118	6.7
314.27206	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	313.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.7
58.00450	1.1
59.01253	1.4
69.03388	0.6
70.92033	0.4
71.04392	1.1
71.04816	0.8
80.02638	0.5
94.63329	0.5
99.08053	1.2
106.62302	0.5
112.99872	0.5
113.09606	1.0
114.09969	0.8
125.09636	4.4
127.11193	5.1
129.09100	1.3
130.09425	0.7
131.09729	0.5
131.20982	0.5
137.09625	0.7
139.11197	1.6
141.12775	1.2
155.10683	1.4
160.42229	0.6
165.09023	2.2
169.15895	0.6
171.10178	4.3
172.10617	0.7
181.12227	0.6
183.10260	0.7
197.11865	0.8
198.12125	1.4
199.09721	1.8
199.12360	1.5
201.11261	29.4
202.11658	1.6
211.13330	0.8
211.30562	0.4
212.13763	3.1
213.13864	3.5
231.19899	0.5
277.21661	3.2
293.21478	0.9
295.22095	8.8
296.22791	0.5
313.23703	100.0
314.24164	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	313.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	4.7
59.01237	1.4
69.03331	0.8
69.30676	1.4
69.31093	3.7
71.01271	0.5
78.84103	0.5
81.03340	0.7
83.04897	4.6
85.06464	2.6
95.16984	0.6
99.08007	1.2
109.06464	1.1
111.04404	4.2
111.08053	0.9
118.75287	0.5
125.05988	0.7
127.07540	7.7
129.05472	22.3
129.47423	0.5
130.05803	1.0
141.12747	1.0
143.07019	1.9
155.07069	2.9
165.12576	0.7
167.10448	0.5
167.14325	2.0
176.19406	0.5
181.15913	1.0
183.17471	1.7
187.45000	0.5
214.84886	0.4
253.60204	0.5
277.21686	1.2
295.22815	4.8
296.23315	0.7
313.23846	100.0
314.24197	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	313.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83767	1.5
57.03314	2.6
58.00468	3.1
59.00961	2.0
59.01254	32.1
59.14893	1.6
69.03332	9.4
69.24823	18.5
71.01266	5.1
72.99203	1.7
75.29022	1.5
78.95723	1.9
83.04904	3.7
85.06469	5.6
93.03353	4.4
95.04923	1.8
97.06482	1.6
99.08025	6.6
103.81967	1.7
107.04884	1.7
115.07569	4.1
121.02850	20.4
125.09624	2.5
125.98428	1.9
135.04462	2.7
135.11711	1.8
147.11687	11.5
151.11183	1.6
152.78000	1.6
153.09087	3.7
165.12753	6.2
167.10695	43.3
174.82639	2.0
177.12743	5.1
179.10690	5.7
181.06454	2.5
181.12343	8.2
183.10229	2.4
186.36916	1.6
191.10767	12.5
195.13849	34.4
196.14272	1.9
197.11781	26.1
209.11758	48.9
210.12085	2.7
213.10228	4.7
215.17992	9.7
221.11749	3.8
221.45871	1.9
223.27213	1.8
225.05339	1.6
227.12817	5.0
233.18993	2.8
239.12764	5.7
241.13293	1.9
251.11859	4.6
253.08685	4.1
265.08743	1.7
269.13037	3.9
277.18176	8.4
285.12427	5.0
291.94406	1.7
295.19131	16.0
305.55551	1.8
313.07336	3.0
313.11835	24.8
313.16714	6.5
313.20190	100.0
314.07117	1.9
314.12170	2.4
314.20560	7.3
338.46545	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	313.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.8
59.01253	17.9
80.66261	0.6
83.04876	0.9
97.06468	2.8
99.08041	2.8
110.58675	0.7
111.04422	0.8
113.09628	0.9
122.60793	0.6
125.05965	1.5
125.09631	0.7
127.07538	1.0
127.11196	1.2
129.05487	3.6
141.12747	1.0
143.07060	8.8
153.12755	9.4
153.19873	0.6
155.07040	0.8
167.14323	3.8
169.15912	1.9
169.93263	0.7
173.08125	0.9
179.59605	0.7
201.11220	1.3
213.14902	8.8
214.15190	0.7
249.22263	1.1
253.21811	0.9
271.80148	0.7
277.21674	3.5
295.22775	15.5
296.23022	1.6
313.23828	100.0
314.24170	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	313.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	1.7
69.24961	2.3
69.25382	1.5
71.01237	1.1
71.04882	0.7
73.02803	1.3
74.98696	0.4
77.62866	0.3
78.33670	0.4
79.95617	1.1
83.04875	0.5
85.02808	1.1
86.03580	0.8
92.32594	0.3
98.20474	0.9
99.01810	0.4
100.69086	0.4
112.01521	0.5
114.48058	0.3
129.01805	1.0
130.01807	0.4
130.02612	6.0
132.04439	5.2
136.07578	1.9
141.52953	0.3
158.15849	0.4
164.07059	1.4
167.14272	1.6
183.01137	7.6
183.13788	1.0
184.01872	2.2
185.02219	0.4
195.13838	6.7
196.14102	0.4
197.02704	31.9
197.42943	0.4
198.03462	7.4
207.17400	0.6
211.04301	0.7
211.13210	0.9
213.14870	0.6
216.00832	1.3
223.13194	0.4
223.16887	0.6
225.18436	0.4
230.02496	7.7
233.15303	0.8
251.12013	0.4
251.16499	5.8
252.16783	0.5
269.17578	43.0
270.17969	3.3
271.08698	0.7
277.14435	0.5
281.12897	0.7
295.15668	1.9
313.14682	100.0
314.11850	0.6
314.15027	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	313.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58378	0.5
50.86497	0.5
55.67427	0.5
59.01241	1.1
61.24795	0.5
70.84998	1.1
70.85345	0.7
71.01237	0.8
71.04879	0.8
73.02818	0.9
74.13920	0.5
76.01997	0.5
77.71355	0.5
79.82698	0.5
79.95600	1.1
83.04888	0.6
85.02819	1.1
130.02643	3.3
138.29105	0.5
167.14284	1.7
183.01146	9.9
183.13748	1.3
184.01915	3.0
195.13832	6.5
197.02696	37.6
198.03461	6.7
211.04401	1.3
216.00877	1.4
223.16983	0.6
230.02509	4.6
251.16454	4.7
269.17572	34.0
270.17935	2.6
295.15405	1.0
313.14719	100.0
314.15103	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	313.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	6.0
62.44051	0.6
66.43745	0.7
69.46595	5.6
71.01266	1.6
72.00784	13.5
75.49046	0.7
77.82934	0.7
85.02808	1.2
92.04932	3.3
95.71095	0.8
108.15585	0.7
110.80068	0.8
116.04934	2.9
118.05748	1.1
118.06515	14.2
118.76698	0.7
120.93061	0.8
128.04951	13.5
129.05365	1.0
131.03659	14.0
133.06415	0.9
144.04453	89.5
145.04744	4.1
146.06018	44.3
147.06375	2.3
150.48415	0.8
172.03987	9.3
190.05022	100.0
191.05429	4.6
207.07686	17.1
238.32413	0.8
253.10733	2.0
271.11838	1.7
296.09259	6.0
313.12128	2.2
315.19733	0.8
326.31406	0.7
335.98096	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1294
Annotation	Viridoside
Peak:m/z	Relative Intensity
55.01760	7.4
57.03317	4.1
58.00480	1.4
59.01256	32.6
65.48758	1.1
67.36153	1.1
71.01254	32.3
71.43568	1.9
72.99183	2.8
73.02824	13.2
83.01266	9.8
85.02827	18.5
85.99972	3.7
87.00756	2.9
89.02309	4.4
95.01263	2.1
99.00747	5.1
101.02328	36.0
106.04134	2.9
111.00783	2.2
113.02325	13.3
119.03451	1.5
121.06492	1.6
123.04462	1.4
151.07564	89.4
152.07906	2.9
159.02934	2.8
161.04471	6.7
194.89694	1.2
237.82425	1.3
269.69901	1.3
313.12949	100.0
314.13330	7.6
334.24240	1.2
335.21927	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	313.1084
Annotation	angophorol
Peak:m/z	Relative Intensity
59.01237	2.1
69.03337	1.8
69.46359	10.5
71.01269	1.2
72.99181	5.8
80.76994	1.2
83.04917	1.4
85.02832	2.4
93.03334	11.3
95.83768	1.2
108.02071	5.6
109.02834	2.8
119.04917	6.5
121.02850	100.0
122.03196	2.4
124.46729	1.4
130.04126	1.4
131.04922	4.2
132.05730	1.7
135.04405	7.5
137.02351	12.1
143.04840	1.4
145.06471	5.0
147.04437	5.5
149.06001	3.5
159.04445	2.2
161.06017	5.9
163.03885	1.9
165.05379	1.9
173.05948	3.1
177.05440	1.5
189.05571	2.2
191.06958	1.6
194.19780	1.1
206.09370	1.7
221.11864	4.6
239.12892	2.9
253.08699	11.8
265.08603	6.6
267.10175	1.8
283.09702	2.6
313.10773	34.4
313.16345	1.7
314.11234	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	313.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
62.35849	0.8
67.01775	3.7
71.28608	1.5
75.20109	0.9
76.80019	0.9
81.78587	0.8
93.03337	43.9
95.01255	3.0
108.01289	0.9
108.02050	15.2
113.02352	0.9
115.06841	0.8
121.02871	4.1
123.04381	2.2
131.04987	1.5
135.04390	2.4
143.04897	2.7
145.06482	1.4
145.33122	0.8
147.04416	2.2
158.03624	2.2
159.04439	9.5
160.05063	1.9
169.05516	0.8
171.04462	1.4
173.05959	1.9
189.05499	1.0
209.37895	0.8
225.14856	2.5
253.08676	100.0
254.09038	7.1
265.08673	6.8
266.09009	1.0
269.13943	1.1
283.09787	13.7
313.07095	1.8
313.10788	37.8
314.11179	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	313.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73349	0.8
59.01237	3.2
68.99689	15.5
71.01233	1.3
71.57373	1.4
77.94752	0.8
78.95762	1.5
83.04904	0.9
85.02811	1.4
88.03870	0.9
89.64271	0.8
91.11726	0.9
93.03336	100.0
94.03677	3.5
95.04914	2.2
107.04903	1.5
108.02058	13.5
108.04451	1.0
116.54784	0.9
117.03360	11.7
119.04913	3.2
121.02848	19.4
123.04401	11.5
130.04137	7.6
131.04929	42.2
132.05223	2.2
133.02834	3.7
134.03615	1.7
135.04427	19.6
145.02802	1.0
145.06271	1.1
147.04411	18.1
148.04803	1.7
149.02295	1.7
149.04840	2.0
149.05994	28.7
150.06276	1.7
163.03925	82.8
164.04320	2.2
173.06007	1.4
184.79118	1.0
189.05540	4.5
201.05466	1.1
221.11708	1.7
239.12907	2.9
252.19568	1.3
253.08688	5.2
265.08640	3.6
269.08261	2.2
270.20767	1.3
281.18814	2.1
283.09778	30.6
284.09964	1.8
295.09610	1.1
313.10785	49.2
313.16498	1.7
313.23856	1.5
314.11127	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	313.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69277	28.5
59.01248	94.6
66.97245	32.4
68.59243	31.8
69.85972	82.4
69.86385	99.3
71.01262	65.9
72.99184	28.9
77.92712	27.6
89.02326	77.8
89.87068	30.5
98.20493	58.4
101.02322	50.6
102.96828	26.4
128.19908	29.3
133.04959	100.0
218.36713	25.9
222.39877	37.0
253.09299	56.3
314.39902	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0718
Annotation	Sylpin
Peak:m/z	Relative Intensity
51.32261	0.2
59.01228	0.6
67.64418	0.2
70.69836	0.7
73.14915	0.2
80.84719	0.2
89.02342	0.3
93.03397	0.2
93.85153	0.2
101.06105	0.2
121.02838	100.0
122.03160	3.1
139.11089	0.3
180.05696	1.2
181.06488	4.0
182.06815	0.3
198.39368	0.2
225.05510	6.9
226.05919	0.3
265.94275	0.2
269.08243	0.3
306.96613	0.3
312.22610	0.4
313.07169	15.1
313.23721	1.1
314.07471	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1081
Annotation	Magnaldehyde C
Peak:m/z	Relative Intensity
59.01247	2.5
64.20070	0.9
69.24612	10.5
69.25034	1.5
78.89030	1.0
83.46320	1.0
84.89645	1.0
85.02831	1.0
93.03334	3.3
98.19744	2.1
107.04923	11.4
116.02020	1.1
117.03341	2.1
119.04885	1.8
121.02859	2.8
130.04109	3.1
131.04930	9.0
134.03624	3.7
135.04420	36.4
147.04385	1.7
149.06111	1.2
151.07504	1.4
165.05455	1.8
201.41472	1.1
207.08076	1.6
209.09535	1.6
221.06166	1.8
222.06801	2.9
234.06789	1.9
235.07617	4.8
236.08322	4.9
237.09193	6.7
253.08684	3.6
263.07202	3.1
264.07825	3.2
265.08688	100.0
266.08997	9.0
268.07407	2.4
283.09869	1.7
295.09802	4.1
313.10724	15.6
313.13531	1.1
314.11057	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	311.2229
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03320	2.7
59.01249	2.8
60.60159	0.7
68.02406	3.9
69.03329	1.1
69.77141	0.5
71.01259	1.6
71.04890	1.1
71.57473	0.8
72.99174	0.8
81.03317	0.7
83.04887	1.7
84.02054	1.1
85.06426	0.6
87.04397	0.7
93.03341	1.4
97.02832	2.6
97.06496	1.0
99.08050	1.6
105.28218	0.7
107.04922	0.8
113.09601	2.8
119.04895	0.8
121.10104	2.9
123.04474	0.8
123.08076	0.6
125.09609	2.0
126.99471	1.8
127.07552	0.6
127.11174	0.8
127.99789	0.9
128.99203	3.1
131.04942	1.1
133.06479	0.8
137.09656	1.0
139.11195	7.6
141.12729	0.6
149.09731	0.8
155.10716	0.8
157.08656	0.7
163.32875	0.5
165.12750	1.7
167.10641	1.1
167.14107	0.6
171.10188	23.8
175.11200	1.1
181.12265	0.8
183.13844	0.8
185.11699	1.3
187.92471	0.6
191.79904	0.7
193.12262	10.8
195.10220	1.5
197.11751	1.0
209.11766	1.6
211.13364	8.3
223.16884	0.7
237.14925	7.1
242.07271	0.9
243.08130	1.4
245.09605	0.8
249.22299	1.2
261.09235	1.4
279.10046	1.2
281.08392	0.7
281.11868	1.1
291.19626	0.7
293.17810	1.5
293.21213	29.6
294.18442	0.7
294.21582	2.5
311.09015	3.2
311.12906	4.8
311.22266	100.0
312.13010	0.9
312.22568	7.2
325.51639	0.6
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
51.57587	0.4
59.01248	1.9
64.57639	0.4
70.24517	0.4
79.95615	0.7
82.37472	0.4
89.89512	0.4
99.21465	0.5
111.08037	0.8
113.09537	0.6
119.04904	0.5
127.11153	1.1
129.09088	1.9
141.09081	0.9
149.09573	0.9
153.12743	3.8
169.12241	1.8
170.00368	0.5
171.10030	0.5
181.10777	1.0
181.12262	12.3
183.01125	23.2
184.01773	1.8
197.02661	2.2
197.11743	1.0
199.13289	1.7
201.11168	0.5
203.96500	0.5
216.00851	1.5
228.13690	0.9
229.32071	0.5
249.22121	0.7
265.21606	1.4
267.23221	0.5
271.09146	0.5
293.21240	8.2
311.16821	46.5
311.22253	100.0
312.17322	4.5
312.22629	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48704	0.9
56.35181	1.0
58.00463	2.4
59.01245	3.2
59.94015	0.9
68.02407	3.8
69.03314	4.2
70.03661	1.7
73.02810	1.6
81.42278	1.1
83.04898	1.7
85.02831	2.0
86.03149	1.2
97.02243	1.9
97.02835	26.5
97.03467	1.3
98.03153	13.6
99.03223	6.7
111.08067	1.1
119.08535	1.7
123.08030	1.0
125.09602	5.1
126.09953	1.3
126.99416	2.8
127.11183	4.4
130.80307	1.0
137.09630	9.5
138.09938	6.6
139.10190	3.9
139.11209	1.0
155.10681	2.0
165.09145	1.1
171.08722	1.6
171.10158	15.5
172.10538	13.1
173.10707	10.9
183.13809	3.4
187.12294	1.7
199.09755	1.1
201.11252	29.3
202.11647	1.7
207.72313	0.9
223.12279	1.5
240.13152	1.3
241.13287	2.2
249.21538	1.2
275.20001	5.3
291.19751	1.2
293.20358	19.9
311.21671	100.0
312.22183	4.2
327.80841	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82697	0.8
57.03307	1.6
59.01254	2.2
71.04294	2.6
85.61804	0.8
99.08003	2.2
111.08001	1.4
113.09583	4.3
129.09109	9.5
139.11151	1.7
162.06157	0.9
169.12233	2.7
171.10168	4.2
181.12262	6.6
183.13818	2.7
184.75024	0.9
193.12267	2.9
197.11755	17.4
199.13322	6.2
211.13326	25.0
212.13690	1.7
242.84300	1.0
265.21713	1.4
275.20160	1.9
293.21198	24.8
294.21698	2.4
311.22260	100.0
312.22626	9.9
324.97467	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78690	0.5
57.03320	1.8
59.01252	3.7
61.33890	0.5
71.01228	0.6
71.04915	0.7
71.58108	0.6
71.78747	0.4
83.04912	3.3
87.00730	0.5
93.84898	0.5
97.06473	1.7
99.08010	3.8
100.40437	0.5
101.02338	0.5
111.08076	1.0
113.09617	3.7
125.09653	2.4
127.11127	1.3
137.09599	0.6
139.11192	3.6
153.12689	1.9
155.10721	0.8
157.08626	5.0
167.07027	0.8
168.95529	0.5
170.00323	0.6
171.10181	10.6
172.10547	0.5
181.12161	0.6
183.01077	2.0
185.11780	1.7
193.12234	1.2
195.13737	1.4
197.11772	0.5
201.11214	1.5
209.11789	1.2
209.15520	0.5
211.13344	2.4
223.16945	0.9
225.14897	2.3
235.95320	0.6
249.22150	1.2
275.20099	1.0
280.75504	0.7
282.74509	0.6
283.19604	0.6
291.19604	0.7
293.17783	0.9
293.21201	25.0
294.21570	2.5
311.12982	2.4
311.22263	100.0
312.22604	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	311.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	1.1
59.01245	1.7
70.09975	3.7
83.78142	0.8
85.06485	1.0
97.06472	1.3
113.09592	0.9
115.07531	2.4
127.11208	0.7
141.08990	0.8
157.08633	1.4
167.14302	3.0
171.10153	1.1
172.99883	0.8
181.12213	1.1
183.01149	1.6
183.13821	2.5
195.13892	8.1
197.02734	7.6
198.03255	0.9
201.11078	1.0
211.13335	2.4
213.14896	0.9
225.14781	1.3
230.02550	1.0
241.14406	0.9
263.86823	0.8
265.21802	1.1
293.21185	10.7
311.16992	16.6
311.22272	100.0
312.17288	0.9
312.22665	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	2.9
57.63049	1.0
58.02845	1.1
59.01250	5.0
61.54783	0.9
70.35971	3.8
71.69764	0.9
81.03341	1.5
83.04900	11.0
84.02056	1.0
85.03905	1.1
85.06454	2.8
99.08047	4.2
111.04414	7.5
113.09621	10.4
129.05469	50.9
135.08089	1.1
138.62303	1.0
163.14838	8.6
181.08588	2.6
193.12270	3.2
211.13315	2.8
253.17064	1.9
267.20850	2.1
275.20059	3.8
283.03329	0.9
293.21237	7.1
311.22269	100.0
312.22751	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	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21639	0.5
57.03322	0.8
58.00207	1.0
58.00468	10.1
58.74476	0.5
59.01245	1.0
70.80444	0.5
71.44695	1.0
73.02808	1.3
83.04878	0.5
90.76952	0.5
109.06474	0.7
121.10101	0.9
125.09620	3.9
127.07539	4.0
127.11184	5.3
137.09648	1.0
139.11160	1.2
143.10759	0.6
144.29520	0.5
155.10670	2.8
165.09137	2.2
167.19453	0.6
169.15709	0.6
171.10168	7.6
179.14247	0.5
183.10136	0.8
183.13837	15.6
183.93507	0.5
184.14149	0.7
195.13823	1.2
197.11642	0.6
199.09615	1.7
201.11259	49.3
202.11618	2.4
211.13335	1.9
213.14880	4.4
223.13383	1.8
241.14427	5.0
275.20172	5.1
293.21259	8.9
294.21381	0.6
311.22269	100.0
312.22589	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	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14285	0.9
57.03326	3.5
58.00457	0.9
59.01259	4.0
59.85700	0.9
71.13374	1.4
83.04885	0.9
99.08039	3.7
109.06414	0.9
111.08055	1.4
113.09605	4.0
125.09624	0.9
127.11197	1.5
129.09074	4.3
136.71286	0.9
139.11177	6.4
141.09091	2.5
155.10684	1.5
169.12254	2.8
171.10222	12.9
181.12263	3.4
183.13835	2.6
193.12222	4.0
197.11766	7.8
198.12093	1.0
199.13391	1.8
201.11240	1.1
211.13362	11.9
275.20111	1.3
293.21237	18.5
311.22284	100.0
312.22601	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75088	0.8
57.03312	1.2
59.01241	1.3
69.38266	5.9
69.38686	1.8
75.62895	0.7
85.44055	0.7
99.08022	2.3
106.96429	0.7
111.08046	1.1
113.09613	3.1
123.51576	0.8
129.09116	6.7
139.11172	1.9
165.12839	1.1
169.12202	1.7
171.10234	3.8
181.12299	5.2
183.13870	1.6
193.12244	3.1
197.11784	12.3
199.13309	4.7
211.13342	19.7
227.12834	0.9
262.62399	0.8
265.21664	1.4
275.20172	1.8
293.21228	21.4
294.21689	1.2
311.22278	100.0
312.22607	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	311.2228
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
59.01251	1.9
64.05631	0.6
71.01277	0.7
71.56801	0.5
79.95586	0.8
80.49545	0.5
98.98467	0.5
101.90142	0.5
111.08078	0.9
116.85977	0.5
119.04895	0.8
125.09583	0.7
127.11177	1.4
129.09106	1.3
129.33694	0.6
142.09937	0.7
149.09521	0.6
153.12732	3.1
169.12253	2.1
171.10184	0.6
181.12291	9.0
182.12570	0.6
183.01137	26.8
184.01753	2.3
197.02745	2.2
197.11763	1.6
199.13457	1.2
216.00946	1.0
228.13628	0.8
249.22281	0.8
265.21768	1.0
281.11273	0.6
293.21185	8.5
311.16827	54.7
311.22269	100.0
312.17181	4.7
312.22650	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.9
64.05631	0.6
71.01277	0.7
71.56801	0.5
79.95586	0.8
80.49545	0.5
98.98467	0.5
101.90142	0.5
111.08078	0.9
116.85977	0.5
119.04895	0.8
125.09583	0.7
127.11177	1.4
129.09106	1.3
129.33694	0.6
142.09937	0.7
149.09521	0.6
153.12732	3.1
169.12253	2.1
171.10184	0.6
181.12291	9.0
182.12570	0.6
183.01137	26.8
184.01753	2.3
197.02745	2.2
197.11763	1.6
199.13457	1.2
216.00946	1.0
228.13628	0.8
249.22281	0.8
265.21768	1.0
281.11273	0.6
293.21185	8.5
311.16827	54.7
311.22269	100.0
312.17181	4.7
312.22650	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76934	1.6
54.01669	1.5
57.03317	3.8
59.01233	1.9
70.15221	5.2
70.15645	3.4
71.01232	2.0
113.09634	3.9
129.09122	6.8
139.11159	6.3
157.70375	2.0
169.12280	4.3
171.10188	20.2
181.12306	2.0
183.13882	3.0
185.11681	2.3
197.11780	11.0
199.13312	6.5
201.11215	5.1
211.13333	22.1
275.20068	4.8
293.21234	19.7
294.21698	2.3
311.22266	100.0
312.22775	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	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18855	0.7
53.62758	0.6
57.03315	1.6
58.00460	2.0
59.01250	1.0
64.22038	0.7
71.04881	1.5
71.06461	1.9
72.16634	0.6
76.20975	0.6
93.10442	0.7
111.59708	0.6
125.09666	1.9
127.07527	0.9
127.11169	2.3
129.09074	2.0
139.11189	1.1
165.09169	0.9
169.70851	0.8
170.73103	0.7
171.10184	4.5
179.14386	1.2
179.16066	0.7
180.25952	0.7
181.12277	2.5
183.10123	0.9
183.13823	3.7
197.15479	1.0
201.11249	18.9
202.11578	1.0
211.13281	2.2
213.20000	0.7
223.13319	1.6
241.14389	0.8
268.41772	0.8
275.20111	2.9
278.03177	0.7
291.19614	1.2
293.21176	8.6
311.22281	100.0
312.22672	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83770	0.2
62.59677	0.2
69.73854	1.1
79.95644	0.7
82.55248	0.2
96.27792	0.2
125.29152	0.2
127.11129	0.4
129.09082	0.3
133.06407	0.4
141.09079	0.3
153.12762	0.6
169.12308	0.3
170.00372	0.3
181.12228	1.8
183.01128	7.7
184.01872	1.0
197.02710	35.1
197.11792	0.5
198.03453	7.5
199.03876	0.3
199.13319	0.2
211.04286	1.3
212.05077	0.3
216.00883	0.4
225.05891	0.2
228.13652	0.3
230.02487	4.7
231.02898	0.3
239.07446	0.4
240.08228	0.3
253.09026	0.3
265.21619	0.3
293.21249	1.9
311.16864	100.0
311.22153	21.0
312.17203	9.0
312.22559	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	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43923	0.8
57.03316	1.8
58.00455	0.8
59.01250	2.8
61.06601	0.8
70.92488	1.0
70.92816	1.3
92.87522	0.8
99.08027	2.5
107.83998	0.8
113.09603	3.0
121.10153	1.2
125.09654	1.2
127.07490	1.2
127.11153	2.5
129.09108	6.8
137.09529	0.9
139.11160	5.8
151.11195	0.9
153.09132	1.1
153.12741	1.1
155.10748	2.0
163.11168	2.0
167.10649	1.5
169.12273	1.3
171.10205	19.6
172.10507	1.2
181.12239	5.1
183.10106	1.3
183.13869	2.3
185.11774	3.5
193.12289	1.9
197.11786	6.4
199.13365	3.1
201.11227	3.6
211.13370	15.6
226.17107	0.9
249.22343	2.0
261.31406	0.8
275.20139	2.5
293.21222	31.1
294.21509	2.7
298.42380	0.9
311.16534	2.9
311.22269	100.0
312.22675	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	311.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87377	0.2
56.71221	0.2
59.85455	0.2
60.65678	0.1
62.01698	0.2
69.92370	0.5
69.92776	0.3
73.87987	0.2
75.20034	0.2
79.95638	0.9
81.61369	0.2
133.06516	0.5
137.25644	0.2
139.11226	0.2
141.09030	0.2
153.09286	0.2
155.14478	0.2
170.00372	0.4
183.01129	5.1
184.01826	0.7
197.02708	41.6
198.03452	6.6
199.03931	0.4
200.10432	0.2
200.32968	0.2
211.04274	1.6
212.04959	0.5
216.00899	0.4
225.05908	0.4
226.06622	0.3
230.02515	5.0
244.04073	0.3
247.20543	0.3
267.10654	0.4
292.52341	0.2
293.21176	0.6
311.16852	100.0
311.21979	7.1
312.17184	9.4
312.21039	0.3
312.22833	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45713	0.2
59.01246	0.3
65.41979	0.2
75.17604	0.3
79.95640	1.1
96.95949	0.3
98.95491	0.5
119.04912	1.6
127.11161	0.3
143.10648	0.4
170.00336	1.7
183.01138	63.6
184.01634	2.7
197.02718	1.5
198.03458	0.6
201.11203	0.3
208.96904	0.2
211.13461	0.3
212.05092	0.5
216.00900	1.2
225.05836	0.6
230.02580	0.6
239.07370	1.0
244.04150	0.4
247.20644	0.4
293.21271	0.8
311.16861	100.0
311.21906	3.4
312.17184	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	311.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
70.13589	0.3
70.93268	0.5
70.93595	0.3
79.95193	0.4
79.95635	1.3
115.70534	0.2
119.04886	1.5
137.56564	0.3
155.03011	0.3
170.00343	2.1
183.01135	68.6
184.01733	2.6
197.02782	1.4
198.03349	0.3
211.04213	0.3
216.00937	1.1
218.97034	0.3
223.36803	0.3
225.05882	0.9
239.07460	1.0
247.20720	0.5
311.16858	100.0
312.17166	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	2.6
59.01237	2.4
64.69117	0.7
69.03304	0.8
70.14860	3.7
73.21691	0.8
83.04937	1.1
98.19772	1.1
98.20372	1.8
99.08022	5.8
111.08041	0.8
113.09600	4.9
129.09113	16.7
151.11214	1.5
153.12717	1.8
167.14357	1.2
169.12234	2.8
171.10159	1.3
181.12239	11.5
183.13808	3.2
193.12274	2.2
197.11765	14.5
199.13309	6.2
211.13332	31.3
212.13686	1.5
232.54428	0.9
249.22229	1.3
265.21765	1.1
275.20172	2.3
293.21222	19.6
294.21652	1.1
311.22253	100.0
312.22604	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1137
Annotation	(Z)-4-Hydroxy-cinnamyl alcohol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01257	1.6
67.19225	0.9
71.27629	2.4
75.68945	0.8
103.05432	4.1
130.04144	28.7
131.04930	84.9
132.05263	3.1
133.17421	0.9
149.05997	100.0
150.06319	2.7
242.93553	1.0
311.22388	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.15
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49892	0.7
59.01250	100.0
64.63215	0.6
69.50869	5.3
76.80451	0.7
107.32793	0.6
143.97914	0.9
144.27272	0.8
144.98155	0.7
185.11761	0.9
207.13840	47.9
208.14247	2.6
209.02756	0.7
224.43604	0.7
251.07649	0.9
251.12914	2.3
253.04645	0.7
269.14072	2.7
293.17627	1.2
311.13159	8.6
311.18726	0.9
311.22266	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
70.00842	1.0
72.13439	0.2
79.95652	0.5
98.20509	0.2
107.30897	0.2
113.80862	0.2
167.10825	0.2
170.00360	0.2
171.10216	0.3
183.01157	4.0
184.01892	0.7
197.02705	33.0
198.03473	5.1
199.03937	0.2
211.04257	1.4
212.05078	0.3
216.00902	0.2
225.05881	0.4
230.02480	3.9
231.02916	0.3
244.04076	0.4
253.08994	0.2
263.79526	0.2
267.10675	0.3
293.21179	0.5
301.72464	0.2
311.16855	100.0
311.21988	7.6
312.17181	6.1
312.21167	0.2
312.22610	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
59.75549	2.3
60.11496	2.3
71.01249	3.0
72.36668	2.2
73.88573	2.3
140.60533	2.2
145.72134	2.4
153.41127	2.3
157.13741	2.3
157.71779	2.7
258.69794	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	311.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.5
57.03325	0.3
57.94139	0.1
58.21360	0.1
59.01253	100.0
60.01593	0.9
65.30496	0.1
71.01255	3.5
71.56999	0.1
72.99184	0.2
73.02829	1.2
75.89035	0.1
76.86447	0.1
82.18790	0.1
83.01263	0.8
85.02825	2.1
87.00781	0.1
89.02333	0.3
93.03389	0.1
95.01305	0.3
99.00761	0.6
101.02328	2.8
107.04943	0.1
113.02332	1.3
140.69319	0.1
143.03416	0.2
159.02966	0.4
161.04469	2.1
237.09219	0.3
251.09291	0.1
269.10342	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	311.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39867	1.3
56.32075	1.2
58.85624	1.1
59.01254	100.0
59.18550	1.2
71.01252	5.0
71.13392	3.1
73.02811	1.8
77.25459	1.3
83.01227	2.0
85.02824	2.9
91.38020	1.3
99.00809	1.8
101.02290	3.1
113.02271	1.5
161.04466	2.9
256.26962	1.3
269.10233	2.9
269.56836	1.4
290.48105	1.4
330.33673	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	311.0926
Annotation	Phaeochromycin C
Peak:m/z	Relative Intensity
52.78700	1.1
56.71146	1.5
62.70202	1.1
66.51616	1.2
67.01763	2.2
69.50295	11.2
93.03334	13.4
108.02056	1.8
109.02815	2.4
119.04893	7.3
121.02848	37.7
124.01527	1.2
130.04140	4.1
131.04926	6.7
132.05728	9.6
133.06485	40.0
134.03621	1.7
134.06847	1.9
135.04416	4.5
137.02303	4.0
143.04938	9.2
145.06499	26.3
146.06824	2.1
147.04419	3.7
151.45796	1.5
154.68375	1.2
159.04373	2.5
161.04608	1.8
161.05980	30.8
163.03886	3.0
164.04700	6.4
173.05940	1.5
176.04697	7.1
177.05486	2.1
179.03333	2.4
189.05455	2.4
205.05014	22.6
208.03760	9.9
219.07950	1.3
222.06696	2.0
229.14380	3.5
235.07559	3.1
236.08463	7.5
237.09175	100.0
238.09531	7.5
239.10742	2.9
249.09219	4.8
267.10266	29.4
281.08206	9.7
283.09784	1.4
293.08163	6.5
311.09207	17.8
312.09854	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	311.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	1.5
69.60777	9.1
93.03340	9.7
98.19828	2.2
101.43899	1.5
106.04077	1.1
107.04910	2.7
109.02822	3.7
117.03352	5.4
119.04891	1.5
121.02830	3.1
123.04343	1.7
129.03369	2.7
130.04144	23.1
131.04932	40.7
133.06488	3.6
136.01575	5.0
137.02344	5.4
143.04912	8.1
145.02829	9.7
159.04422	3.2
160.05255	7.5
161.06007	18.7
171.10277	1.2
196.24170	1.2
208.44255	1.3
235.07730	1.9
237.09181	100.0
238.09517	6.0
247.07570	7.3
248.08388	4.1
249.09206	15.6
267.10254	1.4
272.73895	1.4
281.08163	2.7
293.08255	4.9
311.09238	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	311.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20797	0.5
59.01278	0.8
68.88494	0.6
69.38787	1.7
69.39198	5.1
70.65446	0.6
73.39027	0.6
86.01640	0.6
93.03326	7.0
95.01279	0.8
98.19763	1.1
102.42605	0.6
109.02856	3.0
115.05297	0.6
117.03369	1.4
119.04926	1.7
119.65080	0.6
121.02850	6.5
123.00796	0.8
123.04411	0.8
124.01540	3.1
125.61966	0.6
130.04178	1.8
131.04941	3.0
133.02876	1.9
135.04420	1.0
139.31612	0.7
143.04965	1.5
145.02875	1.2
145.06505	1.1
147.04410	1.6
149.06018	0.9
159.04486	0.7
161.02394	1.3
161.05994	1.6
171.04443	1.2
173.06033	1.4
189.05499	1.0
195.08076	1.3
200.04749	0.9
205.05035	1.6
206.07295	0.8
207.08142	2.2
209.06058	0.9
217.06548	1.3
218.07027	0.8
218.30321	0.7
219.08044	1.2
221.06026	1.1
221.09669	0.8
222.06831	0.9
223.07599	1.8
225.05557	1.0
225.09172	0.7
231.08192	0.7
233.06105	1.4
234.06754	2.0
234.17447	0.6
235.07646	4.8
237.05498	1.4
237.09145	3.4
238.06262	5.4
239.06985	2.2
241.08673	0.7
246.06827	2.0
247.07582	3.2
249.09193	3.5
250.06239	1.0
251.07156	5.4
252.07620	1.6
253.08740	3.8
257.06082	2.5
261.05530	0.8
262.06357	2.9
263.07123	24.1
264.07654	3.9
265.05801	0.5
265.08527	3.8
267.07114	0.8
267.10117	2.0
267.15906	0.7
270.05334	1.7
274.06345	1.6
275.07132	4.7
279.06677	1.5
280.07242	1.1
281.08185	87.0
282.08563	7.9
283.09674	2.2
293.08170	12.1
294.08499	1.5
296.06909	1.2
311.09225	100.0
312.09598	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.6
61.54150	0.4
69.50933	2.8
91.05383	0.4
91.46028	0.4
93.03336	5.1
93.63898	0.3
96.56715	0.3
110.21313	0.3
111.90563	0.3
117.03359	0.6
119.04929	1.5
121.02852	18.5
122.03143	0.4
129.78995	0.3
130.04147	2.3
131.04926	4.5
133.06494	0.9
134.03654	1.2
135.04466	0.4
143.04939	7.4
144.05432	0.4
145.06503	27.7
146.06825	0.9
146.44405	0.4
147.04425	1.1
147.24289	0.4
159.04395	0.7
160.05209	0.7
161.05963	0.4
195.08066	0.5
205.05002	0.4
207.08128	0.4
209.09708	0.5
219.08031	0.5
221.06023	0.3
222.06880	1.6
235.07587	1.8
236.08394	7.9
237.09183	100.0
238.09511	7.3
239.07170	0.7
249.09256	0.8
251.07185	0.7
252.07925	1.3
267.10275	28.2
268.10629	2.4
281.08121	0.5
293.08255	0.7
294.57498	0.4
311.09225	8.9
312.09821	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	2.1
59.01239	5.5
61.98695	5.4
69.53310	7.8
81.02068	2.1
81.03336	1.6
82.02866	1.4
83.04930	1.3
85.02811	3.1
96.04421	9.9
98.19828	2.0
125.09623	13.6
127.53526	1.2
143.10695	9.9
143.97929	1.7
163.06219	1.7
163.11185	1.9
178.12320	1.2
180.13857	5.9
206.11749	14.4
207.10240	1.3
211.13266	1.5
224.12880	36.6
225.13203	2.3
229.04393	1.1
248.16560	8.9
271.84207	1.4
274.14539	1.7
280.06750	1.3
292.15503	18.4
292.20010	3.6
310.16595	100.0
310.20529	4.8
311.09964	1.6
311.13220	4.2
311.16962	7.4
311.22345	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	310.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.3
58.03652	0.8
58.73269	0.6
59.01255	2.3
65.03829	0.9
66.04161	1.0
69.03345	1.0
70.64545	1.6
71.04890	4.4
72.05230	1.1
83.04871	1.0
84.21233	0.7
85.06488	1.1
97.06472	1.4
109.06488	3.5
110.06819	2.5
111.04393	3.1
111.08021	1.3
112.04729	0.9
122.06784	1.3
127.07546	2.0
128.07845	1.3
129.09135	3.3
130.09445	2.0
137.42497	0.8
168.11108	1.1
180.10980	1.0
182.12697	1.0
188.12576	0.7
195.13857	8.5
196.14175	12.3
225.96356	0.8
234.16003	0.7
236.17548	0.7
238.14197	1.0
248.20976	2.0
251.16597	1.0
252.16837	5.9
274.18918	1.6
292.20007	70.0
293.20444	4.2
310.21063	100.0
311.22086	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	311.0925
Annotation	R1128B
Peak:m/z	Relative Intensity
53.71037	0.5
59.01242	2.2
69.15595	0.5
70.71137	1.6
89.03843	1.2
93.03337	0.7
106.58508	0.5
115.05379	0.6
117.03371	0.6
119.04919	14.4
119.40337	0.4
125.09613	0.9
127.11151	0.9
167.14397	0.6
171.10208	0.6
175.26434	0.6
183.13998	0.5
193.08305	0.9
202.07779	1.8
203.08539	1.8
207.08305	0.6
211.13354	1.3
211.19875	0.5
216.57253	0.5
219.08105	1.9
221.09613	3.8
221.32414	0.6
223.07582	0.5
229.14407	20.1
230.07295	3.2
231.08098	50.3
232.08455	3.3
235.07600	0.8
237.09236	5.2
247.07680	1.1
248.08388	1.2
249.09175	22.7
250.09523	1.7
251.12589	1.9
263.07272	2.8
267.07352	1.1
267.10242	19.9
267.17038	1.0
268.10590	1.5
269.12463	0.6
275.07101	1.3
281.08188	10.1
293.08194	12.1
294.08521	1.5
311.09241	100.0
312.09674	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	309.2437
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
50.52338	3.1
50.60155	2.7
59.01239	9.7
62.51220	2.8
69.42156	5.8
69.42487	28.4
71.01249	3.5
73.48085	2.8
78.93450	3.0
80.96346	4.2
90.91479	3.2
96.95897	16.4
113.09568	4.0
151.03928	8.3
151.07529	13.2
152.08330	9.1
179.14381	20.2
197.11862	4.1
209.15408	18.8
248.54288	3.1
251.16602	4.6
265.17914	4.7
265.25314	8.1
277.21741	85.1
278.22122	4.1
281.24985	3.2
291.19598	9.8
295.11713	2.9
305.48877	2.9
309.17380	44.3
309.20676	10.9
309.24298	100.0
309.27750	4.1
310.10876	3.4
310.17374	3.0
310.24704	7.4
330.83527	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	310.1086
Annotation	Clausevatine D
Peak:m/z	Relative Intensity
58.45416	1.9
59.01242	4.8
69.73777	11.9
72.00759	2.7
78.95775	2.2
91.05399	12.8
92.48186	2.0
93.03339	6.8
97.02809	2.6
116.04870	3.0
117.03335	10.8
118.06522	100.0
119.04919	77.8
121.02840	3.8
123.04404	3.9
124.12990	2.3
133.02821	3.0
135.04460	3.6
136.82210	2.4
137.02289	2.6
143.98012	2.2
144.04543	2.3
145.02856	28.5
145.86916	2.2
146.06029	44.5
147.04417	80.7
162.05519	42.1
164.07106	7.1
171.10284	2.5
174.05530	94.1
175.05887	4.0
190.05035	25.7
223.11313	3.5
238.06464	3.5
239.07330	2.6
248.20781	2.5
266.09384	3.0
266.11862	74.2
267.06650	8.9
267.12155	5.1
291.19803	5.1
292.19977	22.7
309.20590	3.0
310.10870	67.3
310.18042	2.1
310.20905	13.1
311.05966	10.8
311.08887	4.4
311.22141	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70475	2.1
57.03321	4.6
59.01243	5.1
69.37566	17.1
69.37984	4.0
71.04893	40.1
71.36595	2.1
81.03322	5.8
83.04896	24.9
95.04903	4.5
97.02830	2.2
97.06467	9.3
98.20653	4.0
99.08049	2.7
103.15234	2.1
111.08102	2.9
113.09606	1.9
118.59348	2.0
123.08044	2.6
135.08018	3.5
137.09630	45.4
143.07079	2.1
150.16962	2.2
162.06258	2.2
171.10185	78.8
172.10545	3.3
181.12332	2.1
183.13806	2.4
185.11850	4.1
191.10709	3.0
195.13736	3.0
197.11786	3.4
207.13821	4.3
209.11740	17.2
211.13063	2.4
219.13815	3.2
235.17006	4.7
247.20622	5.1
251.16487	5.9
273.18701	3.4
291.19675	100.0
292.20074	9.3
309.20709	95.1
310.21021	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86740	1.0
57.03309	1.5
58.16175	1.3
59.01240	5.7
63.62704	1.0
71.01238	1.4
71.57773	1.5
71.58131	1.5
79.95600	1.3
80.96382	1.5
93.09073	1.4
94.34997	1.0
96.95887	17.1
97.02824	1.2
97.06481	1.4
111.08019	3.1
113.09611	1.3
116.27451	1.1
125.09624	2.8
137.09624	1.3
141.12750	1.3
151.07518	2.8
152.08327	3.1
165.12805	1.8
170.21016	1.1
171.10176	48.1
177.50787	1.2
197.11734	8.9
209.15381	4.8
211.13333	2.3
227.12828	1.6
247.20560	1.3
265.18005	1.6
273.18997	1.2
289.31845	1.1
291.19617	14.5
291.23260	54.0
292.23557	3.1
302.34750	1.1
309.17230	20.0
309.20694	20.6
309.24313	100.0
310.17664	2.1
310.21106	2.0
310.24573	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2434
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
55.86740	1.0
57.03309	1.5
58.16175	1.3
59.01240	5.7
63.62704	1.0
71.01238	1.4
71.57773	1.5
71.58131	1.5
79.95600	1.3
80.96382	1.5
93.09073	1.4
94.34997	1.0
96.95887	17.1
97.02824	1.2
97.06481	1.4
111.08019	3.1
113.09611	1.3
116.27451	1.1
125.09624	2.8
137.09624	1.3
141.12750	1.3
151.07518	2.8
152.08327	3.1
165.12805	1.8
170.21016	1.1
171.10176	48.1
177.50787	1.2
197.11734	8.9
209.15381	4.8
211.13333	2.3
227.12828	1.6
247.20560	1.3
265.18005	1.6
273.18997	1.2
289.31845	1.1
291.19617	14.5
291.23260	54.0
292.23557	3.1
302.34750	1.1
309.17230	20.0
309.20694	20.6
309.24313	100.0
310.17664	2.1
310.21106	2.0
310.24573	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	0.8
57.03320	2.9
59.01245	5.1
69.03328	2.4
71.01268	0.9
71.04896	6.8
71.34814	1.6
83.04908	1.8
85.06484	2.3
87.04398	1.7
97.06469	2.7
109.06531	1.0
111.08065	1.0
113.05951	1.1
123.08094	1.0
127.07523	1.9
129.09096	4.8
167.10698	1.4
168.49159	0.8
177.12706	1.3
179.10703	0.9
182.66188	0.7
189.16458	1.3
195.13850	23.2
196.14198	1.4
204.20551	0.7
207.13840	2.9
207.17531	4.4
209.15349	1.4
221.15425	7.3
223.17007	18.5
224.17331	1.5
229.19522	1.3
233.15437	10.6
234.15675	0.9
235.16927	2.1
247.20665	0.8
251.16521	67.7
252.16881	4.6
273.18594	2.7
291.19650	16.3
292.19873	1.5
309.20721	100.0
310.21094	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
52.81959	1.1
57.03325	6.0
59.01245	2.5
65.55843	1.3
69.03316	1.5
69.14375	1.0
71.04892	3.8
71.57735	1.2
72.03290	1.1
72.25574	1.1
78.31480	1.0
79.28978	1.1
83.04904	2.4
95.04895	1.3
97.06472	4.7
109.06518	1.7
111.08032	3.2
113.09608	16.4
126.83231	1.1
127.80521	1.1
139.11182	19.5
151.03934	1.4
151.07588	2.5
152.08319	1.8
153.12782	1.7
153.46281	1.1
165.12761	1.1
171.10162	3.9
197.11806	6.7
209.15375	5.0
211.13268	1.5
223.17036	2.1
233.15460	1.9
251.16557	9.0
252.16840	1.3
263.20126	2.3
265.18134	1.6
273.18735	2.3
286.15729	1.1
291.16391	1.3
291.19675	25.4
292.20016	1.4
309.14944	7.8
309.17490	3.7
309.20682	100.0
310.21011	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	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	2.1
59.01257	7.1
61.26656	1.0
65.03835	1.2
68.22222	1.0
69.03342	4.7
69.42589	8.5
71.01238	1.1
71.04885	2.7
71.76279	0.8
78.95786	1.1
81.03331	1.7
83.04882	1.0
85.02855	0.9
85.06512	1.0
93.03340	2.6
95.04904	1.4
97.02836	22.0
97.06462	3.8
109.06479	2.0
111.08048	1.3
115.59100	0.8
119.08582	2.5
120.98957	0.9
121.02850	1.1
121.10112	1.2
123.04367	1.3
123.08059	0.9
125.09600	5.5
135.08092	1.1
137.09601	6.6
163.11201	5.8
165.12756	11.0
167.10770	1.0
171.10184	14.1
175.11189	1.1
177.12794	1.0
179.14366	2.2
181.12254	4.4
183.13831	3.5
185.11783	2.4
189.12852	1.3
193.12239	4.1
193.15915	2.8
195.13934	2.1
197.11780	1.4
207.10167	1.0
209.11780	5.2
211.13370	3.5
223.13297	1.7
227.12888	7.9
233.15254	1.0
235.13382	1.6
239.12779	1.1
247.20648	10.4
248.21004	1.1
251.16498	3.6
265.05276	1.1
265.08618	3.2
273.18594	4.1
279.06607	2.9
291.06558	1.4
291.19672	100.0
292.20059	6.5
309.07721	6.6
309.20712	68.0
310.20999	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19668	1.8
55.65172	1.9
55.69503	1.7
57.03312	2.1
69.03335	2.2
71.04901	3.7
71.34737	3.9
87.04382	2.8
99.04383	2.0
127.07529	1.9
132.62454	1.9
141.65587	1.9
155.69215	2.0
195.13869	16.2
207.13896	2.5
207.17509	6.1
210.20204	2.1
221.15500	3.6
223.16995	22.0
227.12819	2.8
229.19524	2.0
233.15482	13.0
235.17110	5.3
251.16533	97.2
252.16814	9.3
291.19675	17.4
306.05289	2.2
309.20721	100.0
310.20990	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	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	4.0
64.63626	1.9
71.04891	12.7
71.13208	5.0
87.75191	1.7
97.06466	5.0
104.55688	2.1
121.10159	8.6
123.08064	2.0
125.09615	6.4
125.76212	1.9
132.50848	1.9
135.08012	2.1
137.09656	16.0
153.10687	1.6
170.69035	1.8
171.10210	27.9
185.11772	12.1
197.11757	3.3
207.17445	2.6
211.13434	2.0
221.15465	2.4
223.17062	2.3
233.15604	2.3
235.17082	2.0
251.16518	39.6
251.18997	2.9
252.17027	2.5
291.19693	66.0
292.20081	6.0
302.99365	2.1
309.20749	100.0
310.21118	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41426	1.0
57.03310	3.7
59.01243	1.5
69.03317	1.6
69.33633	8.9
71.04888	17.9
83.04903	1.5
93.06976	1.3
95.04882	1.3
97.06468	6.2
98.20173	4.7
100.54005	0.9
107.04906	2.4
119.08553	1.4
121.10138	11.1
123.08070	2.9
125.09617	10.9
130.22061	1.0
137.09621	19.5
141.12711	3.3
148.26279	0.9
171.10184	42.6
171.36151	1.0
172.10452	1.9
173.10851	1.0
181.12314	1.1
185.11749	15.6
197.11771	3.3
207.13947	1.4
211.13307	2.0
219.13824	2.1
235.17007	2.0
237.14964	2.3
247.20612	2.2
251.16499	46.1
252.16835	2.5
273.18692	1.4
291.19656	100.0
292.20026	4.7
309.20706	71.2
310.21063	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66923	0.6
55.50990	0.6
57.03311	2.7
59.01244	3.2
63.30081	0.6
68.02403	1.0
68.89029	0.6
69.03317	0.8
70.47833	0.6
71.04880	3.6
71.35046	1.5
81.03307	0.8
83.04884	1.8
85.06442	1.7
89.09267	0.7
95.04928	1.2
97.02777	1.3
97.06468	1.4
98.03622	1.1
106.04127	0.7
109.06472	6.2
111.04381	3.9
111.05045	0.6
111.08047	3.1
113.05981	0.9
113.47456	0.7
120.66388	0.6
123.08004	0.7
126.99439	0.7
127.07518	2.4
129.09109	5.6
166.09769	1.0
167.10674	1.4
169.12262	1.5
174.06442	0.7
177.12703	0.6
179.10680	1.1
181.12302	1.1
182.13066	0.7
195.13823	19.0
196.14243	0.9
197.11783	3.5
197.15224	0.6
209.15489	0.7
217.15918	1.4
234.73662	0.7
235.16946	0.7
247.20624	1.8
251.16463	3.0
273.18582	2.1
291.19647	73.6
292.20047	5.2
309.20682	100.0
310.21051	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
66.35490	1.3
69.85097	3.3
69.85510	3.8
98.19842	1.5
98.20403	2.4
111.08036	34.3
112.08376	2.3
120.63613	1.3
127.07555	2.6
169.12219	3.7
171.10130	1.4
197.11769	100.0
198.12094	5.2
199.13393	2.1
209.15355	3.8
211.13364	10.2
223.16953	1.3
224.47757	1.3
225.14888	1.3
227.12732	4.0
232.98167	1.4
251.16501	2.8
263.20181	7.0
265.18002	2.5
291.19641	22.4
292.20050	3.0
309.20700	40.9
310.21088	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.0
58.49997	0.7
59.01251	1.0
69.03295	0.7
69.77006	1.2
69.77415	3.1
79.49913	0.6
85.51227	0.6
86.60382	0.7
93.45621	0.7
97.06478	2.5
111.08001	0.7
113.09590	3.0
115.07546	1.9
125.05983	1.3
126.06754	1.5
127.50298	0.7
137.09639	0.8
139.11238	1.5
141.09096	1.7
151.87646	0.6
165.12756	4.2
167.10670	0.8
167.14326	1.8
181.12245	5.0
183.13831	1.4
193.12265	1.2
193.15933	0.8
195.13824	2.4
211.13324	4.6
221.15440	1.7
222.63103	0.7
223.13611	0.8
239.12900	0.8
240.13658	2.6
241.14218	0.7
247.20639	3.4
263.20093	1.4
273.18561	4.2
281.21170	2.0
291.19650	49.0
292.19928	3.1
309.15680	3.9
309.20706	100.0
310.21002	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	4.5
59.01260	5.7
69.03339	3.7
69.65542	20.3
71.04907	3.5
81.03323	5.7
83.01273	7.7
83.04903	4.7
86.72791	2.5
97.06441	5.4
111.08070	8.5
123.08088	3.8
125.09628	10.1
139.11185	7.8
143.00430	2.8
151.07521	3.2
163.11116	3.5
165.12791	12.8
167.10728	6.2
171.10231	4.0
181.12256	8.0
191.10742	3.6
193.15846	3.4
195.13896	3.9
197.11787	14.4
209.11763	41.7
209.15305	6.1
212.24690	2.7
223.16991	3.8
247.20619	17.7
251.16487	8.8
259.62665	2.9
265.21472	3.6
273.18698	4.2
281.21100	2.7
291.19678	100.0
292.19992	9.4
309.14774	5.3
309.17270	8.1
309.20633	69.5
310.21133	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	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01729	1.4
57.03316	3.5
59.01258	2.8
67.05398	0.9
69.03316	1.0
69.33332	0.9
69.43312	4.9
69.43736	4.0
71.01235	1.2
71.04892	22.3
71.26830	0.8
73.02818	1.4
82.28677	1.0
83.04910	2.0
95.04928	1.4
97.06465	6.7
98.19817	1.8
107.04927	1.4
109.06488	1.3
119.08596	1.3
121.10141	6.3
125.09628	6.0
135.08078	1.8
137.09628	23.1
141.12807	1.2
171.10196	60.8
172.10533	3.0
183.13826	1.7
185.11816	9.6
193.12256	5.3
195.13817	2.6
207.13869	2.1
211.13327	2.1
219.13843	2.8
221.15466	2.0
229.19664	1.8
233.15451	4.3
235.17033	2.9
237.14949	2.8
241.64214	1.2
247.20645	2.4
251.16524	24.5
252.16690	1.3
273.18600	2.8
291.19687	68.4
292.19998	6.2
309.20721	100.0
310.21036	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	4.9
59.01257	1.8
69.03322	3.2
69.98516	4.0
69.98930	2.9
71.04872	1.6
72.82909	1.4
74.70011	1.2
75.60696	1.1
83.04904	2.2
85.06465	1.6
92.52127	1.3
97.02820	13.5
97.06475	1.9
111.08003	1.6
119.08544	1.6
137.09618	3.5
165.12762	8.3
171.10178	7.2
179.14349	4.4
180.33308	1.2
181.12181	1.8
183.13788	1.7
186.00809	1.4
193.12312	3.5
193.15964	2.2
195.13872	10.8
205.67445	1.2
209.11775	2.8
211.13338	2.9
221.15459	12.8
223.13385	9.1
227.12842	5.8
233.15462	1.3
239.16467	3.8
247.20656	9.5
251.16566	4.2
273.18546	4.4
291.19678	100.0
292.19980	10.5
309.20706	87.5
310.20996	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.0
57.07006	0.8
58.00460	1.3
69.03337	1.0
69.92798	2.8
69.93197	1.5
80.48085	0.7
90.23969	0.8
98.19864	1.2
103.05056	0.9
111.08041	29.5
112.08337	1.2
127.07507	3.7
151.11241	1.0
167.10655	0.9
169.12289	4.3
171.10202	1.0
181.12212	1.2
197.11760	100.0
198.10530	0.9
198.12120	5.8
199.13307	4.2
211.13354	9.6
212.13548	1.1
227.12839	3.1
263.20151	6.6
265.18146	2.6
273.18683	1.9
291.19666	22.1
292.19983	1.5
309.20691	35.8
310.21109	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	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29647	1.2
54.87225	1.1
57.03325	4.2
58.59069	1.2
58.83581	1.2
59.01232	4.8
59.20160	1.2
69.03313	2.6
70.26376	4.4
71.01244	1.5
71.04895	1.8
83.04888	3.6
84.02036	1.3
88.17220	1.3
97.02827	4.5
97.06475	2.5
107.19930	1.1
111.08051	4.5
113.09593	1.2
127.11256	1.7
131.63828	1.1
137.09627	12.1
139.11198	1.4
151.03909	1.8
151.07529	3.0
151.11147	2.6
152.08299	2.9
152.94501	1.4
155.10658	7.2
158.25053	1.2
158.50114	1.4
163.87332	1.3
165.12762	2.2
167.10721	1.4
169.12347	1.4
171.10179	15.6
177.90517	1.2
179.10681	1.6
180.04092	1.5
181.12233	3.3
193.12245	2.6
195.14001	1.4
197.11742	12.5
209.11739	6.7
209.15387	5.1
211.13281	5.3
215.47137	1.3
221.15317	1.8
223.55858	1.5
227.12622	1.6
233.15286	1.7
247.20645	3.1
251.16492	14.2
263.20154	8.0
265.18158	1.9
273.18613	2.1
275.36398	1.3
291.19653	28.4
292.19809	2.4
309.04077	1.7
309.15161	6.2
309.17325	6.8
309.20673	100.0
310.21091	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71788	1.2
54.54408	1.1
57.03322	2.4
58.14636	1.1
59.01248	3.7
69.03326	7.5
70.10679	6.1
83.04910	3.2
85.02832	3.8
95.04872	1.5
95.65378	1.3
97.02834	60.9
97.06461	1.9
98.03139	1.3
99.08057	1.7
101.12457	1.4
111.07993	1.5
119.08535	8.3
125.09615	7.8
127.11156	2.0
135.08009	1.4
137.09624	30.1
153.09119	1.5
155.10654	2.4
167.10660	1.9
171.10188	64.3
172.10564	3.1
174.23047	1.3
183.10226	3.9
183.13841	4.7
185.11749	17.2
189.75613	1.2
192.35289	1.3
195.13931	4.0
201.11276	6.2
209.11772	3.5
211.13425	6.1
213.11322	3.4
218.26546	1.4
221.11758	4.4
233.15402	3.3
239.12828	3.6
251.16560	1.8
262.34286	1.4
273.18668	6.0
291.19656	35.0
292.20071	1.8
309.20724	100.0
310.21191	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03190	1.6
59.01245	5.5
59.27325	1.7
69.03320	5.1
71.03869	4.5
78.39612	2.0
107.08527	2.8
107.50955	1.8
111.08044	9.9
114.67934	1.8
119.08573	22.1
121.10147	2.5
125.09583	10.3
127.11178	3.1
137.09615	37.8
149.09602	2.2
153.09087	2.1
155.10713	6.4
167.10701	3.5
169.12286	3.7
171.10187	100.0
172.10582	4.3
183.10196	4.7
185.11766	28.5
195.10292	2.5
197.11769	35.3
198.12170	2.6
199.13298	2.4
201.11217	6.0
211.13405	9.6
213.11270	8.9
225.14865	9.6
229.19537	5.7
263.20102	3.2
273.18628	12.0
291.19681	39.0
292.19913	3.9
309.20694	76.5
310.20975	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	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05351	1.9
57.03321	6.3
59.01233	6.0
63.61744	1.8
70.33742	7.8
71.04887	8.1
81.03350	10.0
83.04897	47.4
94.85259	1.9
95.04937	2.3
97.06486	6.0
99.08032	6.7
107.04912	4.4
109.06465	3.3
113.09620	4.5
123.08040	2.4
129.05478	5.6
137.09651	5.3
141.33401	2.3
143.07042	7.8
157.12054	2.3
163.14777	2.8
163.68416	2.0
165.12790	4.1
171.10190	13.0
185.31978	2.2
191.10587	2.4
195.10274	2.9
195.13855	4.4
197.11751	3.2
198.54761	2.3
207.13870	4.0
209.11810	19.9
209.15318	12.0
213.11557	2.6
221.15424	9.7
223.16974	10.5
225.15105	2.7
229.19606	4.4
232.57159	2.1
233.15468	8.3
247.20706	4.1
251.16525	45.7
251.19078	4.3
252.16753	3.7
273.18558	10.9
291.19666	63.3
292.19986	5.0
309.20718	100.0
310.20920	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	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	9.8
59.01249	6.1
66.48581	1.9
69.03334	2.6
70.10138	8.4
70.10548	3.9
71.01266	4.3
73.02817	3.3
79.95596	2.8
83.04917	2.3
89.12324	2.3
95.04896	3.1
96.93710	1.9
97.02829	3.1
97.06467	5.7
111.08034	13.2
113.09594	4.0
121.11301	2.2
123.04391	2.7
123.08018	2.2
124.66750	1.9
125.09622	4.8
127.11147	2.7
137.09593	4.3
139.11188	3.3
151.07599	2.7
151.11186	12.5
152.08243	2.4
153.12761	3.7
155.10687	4.8
165.12764	13.8
167.10603	3.1
169.12276	3.2
169.52094	1.9
171.10191	9.5
179.10791	3.3
181.12270	16.4
182.12616	2.0
183.01097	3.0
183.13808	15.1
185.11726	6.8
191.10638	6.9
197.11798	27.2
199.13411	2.6
200.82361	2.1
207.13939	2.7
209.02760	3.0
209.11787	26.2
209.15413	7.1
211.13275	14.7
227.12877	2.4
245.19028	3.3
247.20734	9.9
263.20102	3.2
273.18582	3.9
281.20993	2.4
291.19650	100.0
292.20026	9.4
309.15302	61.9
309.20728	94.1
310.15625	7.2
310.21100	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	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09374	1.4
52.22057	1.6
57.03304	2.5
57.68904	1.6
58.00458	2.1
59.01258	2.9
69.03303	5.6
71.04087	4.0
78.67447	1.7
83.04890	2.1
84.04655	1.6
90.91738	1.7
97.06465	1.9
107.08574	1.9
111.08043	17.1
112.92577	1.7
119.08549	16.5
125.09613	4.9
127.07533	2.5
127.11146	3.5
135.08029	1.9
137.09624	28.2
139.11159	1.8
140.22858	2.0
149.09662	2.0
151.11177	2.2
155.10626	3.0
163.11208	2.0
167.10696	3.4
168.45810	1.7
169.12244	3.0
171.10178	100.0
172.10484	4.1
183.10179	5.8
185.11769	27.5
195.13806	2.5
197.11761	38.4
201.11223	6.2
211.13359	10.4
213.11249	11.1
225.14886	3.0
229.19644	2.3
251.16516	2.7
273.18555	10.2
291.19647	49.6
292.19934	4.5
309.17331	2.8
309.20700	56.1
310.21075	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34481	1.0
57.03315	1.8
59.01243	2.1
59.29539	1.0
65.48683	1.1
66.16533	1.0
69.03330	6.0
70.15987	4.1
70.16400	2.0
71.04884	1.2
81.03355	1.3
82.73880	1.1
83.04898	1.5
89.24251	1.1
97.02831	36.8
97.06472	3.2
107.04919	1.4
109.06471	1.6
111.08063	2.6
118.99010	1.0
119.08563	2.4
121.10105	3.4
123.04426	1.2
125.05960	1.6
125.09609	5.0
137.09605	3.7
151.11226	1.1
153.12808	1.1
163.11206	5.3
165.12767	12.6
166.13109	1.2
171.10188	14.8
179.14412	1.6
181.12242	3.3
183.13835	2.9
185.11720	1.4
187.09756	2.1
193.12257	3.8
193.15938	3.3
207.10130	1.9
209.11803	5.9
211.13345	3.6
223.13274	2.5
227.12723	6.9
239.12880	2.7
247.20627	12.2
248.21077	1.5
273.18497	4.7
291.19672	100.0
292.19998	13.5
309.20718	73.7
310.21136	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	309.207
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03320	1.4
59.01245	4.0
61.33986	0.6
69.03307	1.0
70.33070	1.4
70.33455	1.2
70.38709	0.6
71.01259	1.0
79.95608	1.9
80.02565	1.3
80.96423	0.7
81.03341	2.2
83.04887	1.1
95.04912	1.4
96.95893	29.0
97.02815	1.4
97.06462	1.2
98.03614	2.2
111.08027	3.3
123.04372	1.5
123.08107	1.6
125.05959	1.6
125.09592	0.8
127.07498	0.9
127.11199	1.0
137.09612	2.3
139.11215	1.6
151.07500	1.5
151.11185	1.4
152.08313	1.1
153.12758	1.0
161.09581	1.0
162.10423	1.3
163.11125	1.4
165.12762	11.1
166.01823	0.6
166.13103	0.9
167.10699	3.6
168.11427	1.0
171.10164	2.4
179.14334	1.4
181.12236	1.9
183.13841	1.8
193.12241	0.9
193.15897	5.1
196.96758	0.7
197.11795	5.6
200.30782	0.6
207.10194	0.8
209.11710	1.3
209.15382	2.5
211.13318	1.5
221.15485	0.7
247.20653	11.5
248.20952	1.0
252.10019	0.7
263.20154	0.9
265.21701	1.3
271.40445	0.7
273.18567	3.2
291.19653	100.0
292.20001	7.3
309.17331	31.8
309.20728	45.9
310.17685	2.9
310.21075	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02953	0.9
57.03301	3.2
59.01205	1.6
67.01740	1.1
67.11697	1.0
69.03323	4.9
70.92887	1.8
70.93248	2.3
81.03316	2.2
83.04879	4.5
85.02809	5.1
89.69128	1.0
89.71081	0.9
95.04913	1.1
97.02826	60.3
97.06447	1.7
109.06438	2.7
109.17023	1.0
111.08010	4.8
113.09505	1.2
119.08536	6.6
125.09610	3.6
127.11153	2.0
135.08064	1.5
137.09613	26.7
151.03844	3.0
151.07521	4.9
152.08289	4.0
153.09038	1.1
163.11081	1.6
167.10684	1.7
171.10179	49.4
172.10507	2.3
177.12730	2.8
184.07457	1.2
185.11723	4.5
193.12267	1.6
195.10168	2.2
195.13826	4.1
197.11725	4.1
209.15408	8.7
211.13261	4.6
221.11775	6.8
238.55730	1.1
239.12901	7.0
247.20573	1.8
252.09967	2.0
265.18054	1.3
273.18576	4.1
274.19012	1.2
291.19666	40.8
292.19980	3.8
309.17056	11.3
309.20654	100.0
310.17877	1.4
310.21039	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	309.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
70.52908	0.7
71.01259	1.6
71.57069	1.2
73.02819	1.0
79.95625	0.8
80.71342	0.7
80.96391	8.1
85.02829	1.6
88.03294	0.7
89.02334	1.4
92.52135	0.7
101.02348	2.9
107.27629	0.7
113.02377	1.2
134.03653	0.9
156.55630	0.8
161.04456	1.2
190.77208	0.8
209.11708	5.0
227.12807	1.7
249.13383	3.9
309.10080	6.3
311.62024	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65588	0.6
51.10775	0.7
52.93733	0.7
57.03315	3.7
59.01249	7.6
68.02419	1.1
69.03322	3.6
71.01216	0.7
71.04890	1.5
71.26215	1.5
81.03336	1.0
83.04894	1.2
85.02870	1.0
93.03323	0.8
93.06971	0.9
97.02819	4.6
97.06435	1.1
109.06499	1.1
111.08073	5.1
115.48454	0.9
121.10119	0.8
124.42870	0.9
125.09624	1.2
135.04411	0.9
137.09610	3.3
141.98161	2.0
142.98964	1.4
151.11194	2.5
153.12755	1.4
167.14307	1.9
169.12259	3.9
171.10149	4.8
175.14734	0.8
179.10547	1.1
195.13824	1.2
197.11769	51.0
198.12108	2.3
199.13264	0.9
211.13336	3.1
223.13243	1.1
229.19632	4.5
241.06238	1.0
247.20647	0.8
251.16722	1.7
261.18604	5.4
265.18036	1.3
273.18600	12.8
274.18881	1.2
279.19595	2.4
280.79608	0.9
291.19684	23.0
292.20007	1.4
309.10519	4.8
309.20706	100.0
310.21002	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29992	0.5
59.01252	100.0
60.01581	1.2
74.88079	0.5
86.08739	0.5
114.87290	0.6
122.38905	0.5
150.06757	1.3
161.13284	7.1
205.12283	33.7
206.12630	1.9
216.62285	0.7
223.13405	1.5
249.11327	2.5
289.01645	0.7
291.19870	0.7
309.20728	2.6
331.25409	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01568	1.7
64.05266	0.7
69.26131	6.4
69.26537	1.5
74.04031	0.8
74.37698	0.8
138.91699	0.9
141.98132	0.9
142.67143	0.9
161.13268	9.6
162.13564	1.1
186.75284	0.7
187.11220	1.2
205.12265	31.6
206.12622	2.1
223.13318	1.6
237.71425	0.8
249.11273	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	309.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56640	1.0
52.96233	1.0
56.74094	1.0
59.01249	100.0
59.18818	0.9
66.19678	1.0
67.15868	1.0
69.53517	7.4
71.01259	1.8
72.00768	6.7
73.02850	1.3
74.02353	7.6
85.02832	2.3
93.03345	1.4
96.26640	1.1
96.95865	5.2
98.20611	1.9
101.02320	3.6
107.04916	1.9
108.02026	1.3
116.04948	27.1
117.76067	1.1
130.06529	1.7
136.07571	1.1
142.06534	8.6
149.94585	0.9
150.82022	1.1
153.72305	1.0
157.07645	5.2
159.09175	10.0
186.05611	1.3
201.06622	1.4
203.08189	74.6
204.08456	3.7
222.09180	13.8
249.13428	2.7
265.13434	3.4
309.12561	13.0
309.20676	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02834	2.4
59.01251	6.1
63.96125	2.8
64.96910	3.8
70.34463	4.9
71.04893	11.4
72.99171	14.7
75.00738	12.3
76.76283	1.4
79.95648	1.7
80.96394	15.5
87.05541	3.5
87.55978	1.5
96.95882	2.2
99.04409	3.0
111.00847	1.8
115.08648	1.8
116.07043	2.9
146.08124	52.1
147.06528	100.0
148.06894	2.4
161.63197	1.5
209.11755	8.0
217.11876	15.9
217.13536	1.3
227.12872	2.3
236.17802	1.4
245.15022	3.3
309.11246	56.3
309.21005	2.7
310.11371	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	309.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	22.9
60.01579	0.4
69.53546	1.1
69.53971	1.7
72.00775	6.8
74.01920	0.5
74.02341	9.9
93.03324	1.2
101.02300	0.6
106.04116	1.6
107.04903	2.6
108.02036	0.4
116.04947	34.2
117.05268	0.9
130.06543	2.3
142.06525	10.6
143.06895	0.4
144.04471	0.5
146.06015	0.9
157.07623	7.4
159.09187	10.3
160.09564	0.3
161.04626	0.6
172.03938	0.5
176.94131	0.4
185.06996	0.4
186.05496	1.0
201.06651	2.0
203.08191	100.0
204.08537	4.5
204.83786	0.4
213.30067	0.4
222.09190	12.9
223.09473	0.7
246.06801	0.7
249.13470	1.1
265.13419	5.6
266.13797	0.6
291.06638	0.9
309.12463	17.4
310.12860	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1122
Annotation	Harringtonolide
Peak:m/z	Relative Intensity
53.84413	0.5
58.02841	5.2
59.01249	4.8
63.96112	5.4
64.96891	7.0
69.09354	0.5
69.30585	5.0
70.02842	1.6
71.04888	22.4
71.31386	0.6
72.00789	0.8
72.05203	0.5
79.95589	1.4
80.96393	5.4
86.05981	0.9
87.05506	6.7
94.28579	0.4
96.95894	1.6
97.03921	0.7
98.06037	0.8
99.04388	8.1
108.01113	2.2
115.05028	2.8
115.08654	1.0
116.07046	4.2
119.04920	6.3
120.62727	0.5
121.92049	0.5
129.01830	0.5
129.05461	1.7
134.03653	0.7
143.02739	1.2
146.08125	100.0
147.02890	0.9
147.06561	1.2
147.08493	2.8
163.03909	1.4
174.09271	0.5
183.05887	0.5
209.11740	2.5
217.11885	26.3
218.12253	1.0
227.12933	0.7
243.13530	1.8
245.15097	3.2
256.37955	0.6
309.11252	76.3
310.11627	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	309.1193
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
51.20539	1.3
58.00470	2.5
58.54023	1.1
59.01252	68.7
69.59497	9.7
71.01252	42.5
71.04903	2.1
72.99178	3.1
75.00745	5.2
85.02831	7.4
87.00737	1.9
89.01761	2.7
89.02316	52.8
91.05305	1.4
95.01270	3.1
98.19814	1.4
101.02323	28.4
105.82525	1.5
113.02348	15.8
119.03390	26.4
124.94423	1.4
128.03430	4.5
129.05472	4.6
131.03394	2.4
143.03424	3.0
146.08142	12.9
147.06541	6.0
149.04422	2.7
155.51314	1.3
161.04456	4.2
179.05536	4.3
180.06593	4.6
194.03275	1.6
217.11848	3.0
237.06107	2.4
282.76358	1.4
291.10065	1.4
296.41183	1.6
309.11853	100.0
310.12079	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	307.228
Annotation	Isolinderanolide B
Peak:m/z	Relative Intensity
52.80714	8.1
64.43163	5.5
71.57315	7.1
121.24392	6.1
122.20802	6.6
127.03986	6.2
127.91511	6.2
144.47310	6.1
146.61580	5.5
191.63461	6.5
227.11159	8.2
302.58670	6.8
307.22824	100.0
308.09311	12.8
308.22986	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	307.2641
Annotation	5(Z),14(Z)-Eicosadienoic Acid
Peak:m/z	Relative Intensity
62.24038	4.7
70.17529	16.0
77.99306	4.0
80.68548	4.9
85.27654	5.3
94.96839	4.4
252.31999	4.5
275.49329	4.7
307.26401	100.0
308.26788	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23813	1.0
56.04923	4.2
58.02851	1.4
58.48799	0.9
59.01251	5.1
65.03833	9.3
65.90624	0.9
68.04924	3.6
70.72739	3.1
71.01274	1.5
73.15479	0.9
74.02345	67.7
75.02667	1.3
78.95773	1.0
79.13087	0.9
81.68290	1.1
84.04439	1.1
93.03343	2.0
110.04734	1.1
113.07101	5.3
123.05521	1.7
123.08025	1.1
125.07102	42.1
125.09621	5.7
126.07451	1.4
143.04506	5.2
146.08139	4.4
155.14421	1.0
157.06097	36.4
169.06110	100.0
170.06421	3.2
200.09801	0.9
203.04909	96.7
204.05190	4.3
206.47189	1.0
217.12192	1.1
223.07605	1.4
227.12840	2.4
235.13370	9.1
249.11215	1.2
309.04346	1.0
309.07776	2.9
309.11264	2.8
309.17062	9.8
309.20511	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2277
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
59.01260	4.9
69.76241	4.6
71.01235	1.2
71.04876	0.8
82.42282	0.8
83.04872	0.8
91.14918	0.7
97.02758	0.8
97.06478	0.9
98.19742	0.8
125.09610	1.8
126.99407	1.7
149.09605	1.2
161.04597	1.0
163.11168	1.1
185.11713	2.1
209.11758	1.0
231.21172	5.3
246.46214	0.8
263.23758	8.5
275.20145	100.0
276.20444	8.7
277.21710	1.0
289.18005	2.1
297.17435	0.7
307.10342	1.7
307.19226	3.2
307.22736	33.9
308.23111	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	307.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03298	1.4
59.01250	3.8
59.99464	0.7
71.01244	1.7
71.01619	0.7
71.57657	1.0
74.69347	0.7
81.03324	0.8
91.64948	0.8
97.06460	1.7
101.48943	0.7
104.12004	0.7
108.08703	0.8
123.08033	1.5
125.09638	4.9
141.12785	2.0
162.55923	0.8
163.11177	1.3
167.15340	0.7
179.14313	2.0
185.11766	7.8
195.13603	0.9
197.11708	1.6
205.15923	1.5
209.11726	1.1
223.13324	3.0
231.21098	4.0
245.19180	1.1
247.86653	0.8
248.77742	0.8
263.09396	0.9
263.23978	1.0
275.20154	51.0
276.20486	5.1
289.18021	2.3
291.09061	1.0
307.22778	100.0
308.23087	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	Albocycline
Peak:m/z	Relative Intensity
57.03310	2.3
59.01242	5.3
65.94978	2.1
71.04895	9.8
71.34838	4.9
73.02813	5.1
97.06466	5.2
99.04397	24.1
101.05989	3.1
109.06477	4.4
111.08055	1.9
116.17414	1.9
120.05684	2.1
121.06466	2.7
123.08035	14.2
138.06699	2.9
153.12866	2.1
195.13850	6.5
202.88910	2.2
203.61276	2.3
205.15913	3.0
207.13837	6.0
221.15396	14.7
223.17162	2.6
233.15364	5.6
235.13275	2.1
245.19081	10.5
251.16513	9.1
263.20071	2.7
271.17090	3.8
279.19791	3.2
282.53815	1.8
289.18106	100.0
290.18518	6.7
307.19150	99.4
308.19427	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24667	2.4
57.03325	21.3
59.01243	5.2
59.39037	2.4
64.00262	2.7
65.03835	72.9
71.04898	12.0
71.06159	2.8
71.13332	6.3
77.49847	2.4
81.03346	14.6
83.04901	97.2
88.19288	2.8
95.04901	3.8
97.06456	26.6
99.08024	5.7
107.04909	4.1
113.09592	35.6
121.06485	26.7
123.08060	33.5
125.05990	16.2
125.09604	14.0
127.03904	4.1
131.08548	6.6
137.96584	2.7
139.11195	68.1
143.07051	74.2
149.09587	5.9
163.11212	54.9
164.11543	2.8
167.07065	27.8
169.08627	13.2
171.10081	3.5
175.07600	2.9
179.14305	7.6
185.11717	19.2
188.55688	3.5
193.08640	100.0
194.08975	8.0
195.13838	4.2
209.11786	9.1
211.13344	9.3
234.40604	2.7
235.13326	21.6
245.19160	8.4
280.13141	2.8
289.18155	36.7
290.18243	4.5
307.19196	41.5
308.19464	3.3
323.80539	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	307.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	5.9
59.01245	3.9
65.03819	0.7
70.81327	1.2
70.81701	1.1
71.01249	1.6
71.04890	0.7
83.04887	1.1
97.06487	0.8
111.08016	0.6
123.08019	1.0
125.09623	0.8
127.11175	18.7
128.11473	0.8
139.11220	0.7
141.88826	0.6
147.14684	0.6
149.09586	0.8
151.11206	2.1
153.12778	1.9
161.04497	0.8
167.10699	2.0
177.12726	2.0
179.10684	1.6
179.14352	0.7
195.13838	2.4
197.11694	0.8
209.11659	0.9
223.02805	0.7
223.17015	0.8
240.45665	0.6
263.23779	1.6
263.58710	0.6
275.20099	7.7
276.20569	0.6
281.16901	0.6
289.18073	1.3
289.21674	0.9
291.08948	0.8
307.19635	3.4
307.22766	100.0
308.23108	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95758	2.3
57.03336	4.8
57.81563	2.1
64.52438	1.9
65.03838	61.9
70.58673	7.7
71.04897	43.0
95.56113	2.0
97.06470	63.3
98.06806	2.5
119.08548	11.6
121.06488	100.0
122.06836	4.4
123.08060	2.8
125.09625	42.8
185.10201	4.8
185.11774	75.0
186.12065	3.6
209.11784	33.4
211.13364	34.6
235.13373	95.0
236.13765	5.2
271.16986	2.4
289.18076	16.9
301.12097	2.5
307.19177	30.0
308.19586	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
54.09148	1.5
55.01738	1.8
57.03309	2.0
59.01235	3.8
65.03833	2.1
65.88741	1.6
69.36324	6.1
69.36752	8.8
71.01274	2.5
71.04903	7.5
73.02824	5.2
83.04864	1.8
84.51346	1.5
84.63451	1.7
93.03334	1.8
94.29272	1.5
97.02831	1.7
97.06438	3.0
99.04394	23.1
109.06509	1.8
112.05194	1.7
121.06470	2.9
123.08052	14.6
136.05219	2.0
137.09608	2.2
138.06670	1.6
149.09573	3.8
164.08360	2.0
185.11736	1.7
191.14377	1.7
195.13773	2.6
207.13838	3.8
220.75250	1.6
221.15402	6.7
223.16931	3.7
233.15508	2.9
235.13309	2.2
245.19066	10.0
251.16414	7.8
252.16829	1.6
263.20139	2.5
271.16925	3.2
279.19806	2.7
289.18082	100.0
290.18399	7.3
307.19125	75.9
308.19504	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21548	0.6
59.01245	2.8
69.03324	1.2
70.12992	2.1
71.04890	6.2
72.62831	0.6
72.93970	0.6
80.02557	1.6
81.03308	3.0
83.04881	5.0
95.04892	2.6
97.06467	1.4
98.03599	1.9
105.15053	0.7
106.04117	1.4
107.04906	1.1
109.06487	19.2
111.04414	7.4
111.08008	2.0
116.68382	0.6
121.06418	1.4
123.08020	1.9
127.07522	4.9
135.08038	1.1
137.09639	1.7
143.07025	0.8
143.10677	2.0
145.06490	2.3
148.08798	1.5
149.05974	0.9
149.09589	2.0
150.10384	0.8
151.11192	2.7
159.07985	0.8
159.89250	0.6
163.11183	2.3
165.12781	5.7
167.10666	2.8
177.12770	2.0
179.10675	1.4
181.12225	1.7
191.14305	1.8
195.13802	4.7
201.06496	0.7
205.15910	11.1
206.16235	1.1
215.14354	1.1
217.15974	0.9
223.16612	0.9
233.49167	0.7
235.13335	1.8
243.17523	2.2
245.19148	6.8
251.16455	1.3
261.18582	14.4
262.19003	1.1
271.17023	2.0
287.16556	2.5
289.18094	100.0
290.18439	8.1
307.19144	70.0
308.19550	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	307.1916
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.42181	2.7
52.76602	2.5
55.01747	4.1
57.03310	3.9
59.01251	3.0
65.03835	64.3
69.38061	5.4
69.38466	21.5
71.04894	33.4
75.33404	2.4
80.94990	2.8
91.55258	2.7
91.80679	2.4
93.84809	2.4
97.06478	69.4
119.08566	8.3
120.82818	2.9
121.06487	96.8
123.07974	3.7
125.09624	41.0
131.57260	3.0
137.09622	3.3
141.12753	3.2
185.10194	5.2
185.11768	76.7
209.11760	28.3
211.13356	36.8
235.13364	100.0
236.13695	6.3
239.94391	2.7
284.47165	2.7
289.18100	21.2
300.46844	2.6
307.19058	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	16.6
57.13094	2.2
59.01234	11.3
69.03309	4.6
71.01252	12.5
71.13467	5.5
71.13818	3.0
80.02541	3.6
80.39935	2.2
83.04908	12.1
90.49780	2.6
93.03323	5.1
95.04894	4.7
97.06464	30.2
98.03592	2.9
107.08576	3.0
109.06464	7.3
111.08089	14.7
117.93432	2.4
121.06463	3.2
123.04382	5.0
123.08051	2.9
125.09606	9.0
127.11225	4.2
135.08081	4.5
137.05937	5.4
137.09596	6.1
138.21837	2.2
146.26509	2.4
149.09665	5.8
151.11205	32.5
153.09082	6.3
153.12759	5.8
155.10692	15.2
160.08800	2.4
161.09674	4.0
163.11183	8.0
165.12756	40.8
167.10699	5.5
169.12190	3.9
171.10178	5.4
177.12772	5.9
179.10678	8.0
181.12239	46.7
185.11734	5.3
191.10744	18.8
191.14375	9.3
195.10178	4.6
197.11781	4.5
206.24074	2.5
209.11778	75.9
210.12097	2.8
211.13367	11.9
224.10608	2.9
227.17923	3.0
239.09125	5.0
245.19090	54.4
246.19539	3.7
261.18536	3.7
263.20129	14.7
271.16888	4.9
279.19754	6.9
289.15140	4.7
289.18115	61.0
290.18442	5.7
307.15628	5.5
307.19153	100.0
308.19540	8.6
308.99677	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	6.9
59.01253	5.9
69.03331	3.8
70.09840	14.9
70.10250	9.3
71.04922	4.7
81.03339	7.2
83.01229	6.3
90.69278	4.1
95.04948	5.7
97.06465	12.2
119.08588	3.7
121.06473	5.0
123.04449	5.8
123.08041	4.7
125.09605	14.6
135.07986	4.7
137.09633	10.7
163.11163	10.0
175.35727	4.2
185.11795	14.8
191.14290	18.6
207.10219	8.3
209.11784	25.8
225.11253	7.5
235.13171	3.9
236.95529	4.0
245.19009	40.5
261.18317	4.4
287.84854	4.9
289.18073	100.0
290.18460	9.4
307.19144	62.6
308.19537	6.7
310.83389	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75698	0.3
51.80367	0.3
57.03317	1.3
59.01248	4.3
64.82867	0.3
65.03821	0.4
68.02404	1.2
69.03333	0.3
69.82384	2.0
71.01252	1.1
71.04893	0.9
79.96352	0.3
80.02535	1.7
81.03326	1.8
83.04899	5.1
84.02034	0.4
85.06464	0.4
87.96902	0.3
95.01262	0.4
95.04909	1.9
97.02837	0.4
97.06467	2.1
98.03618	0.5
98.19872	0.5
101.02310	0.3
102.51498	0.3
106.04126	0.8
107.04937	0.6
109.02838	0.4
109.06479	2.4
111.04422	0.6
111.08038	1.0
113.05956	0.6
113.09614	1.0
115.07542	0.5
121.02846	1.3
121.06488	0.9
121.10156	0.6
122.03635	1.0
123.04395	1.4
123.08031	0.9
124.05148	0.6
125.05931	0.7
125.09618	0.8
127.07536	0.8
135.04428	0.7
135.08063	1.7
137.02362	0.9
137.05988	0.5
137.09592	1.6
139.03900	0.8
139.11163	0.3
141.09119	5.0
143.10681	0.5
145.06523	0.4
147.11714	0.4
149.05988	0.8
149.09631	0.8
150.06779	0.3
151.11172	0.8
153.09073	0.4
158.95772	0.3
163.07523	0.4
163.11191	5.4
164.08432	0.3
165.09097	1.1
165.12733	3.8
167.10675	0.6
171.10146	1.1
173.09583	0.4
173.45605	0.3
177.12747	0.7
178.09903	6.2
179.10649	1.0
180.11494	0.5
181.12241	1.7
183.13756	0.4
185.11755	2.3
189.12863	0.3
191.10770	1.8
191.14323	7.6
192.11456	0.4
192.14662	0.5
193.12178	0.8
195.13889	0.5
207.10129	0.5
209.11765	44.3
210.12053	1.9
211.13338	1.4
213.40623	0.4
217.15855	0.7
217.85658	0.3
219.09772	0.4
219.13805	1.9
222.74413	0.3
227.12639	0.3
235.13397	0.6
235.20647	0.6
236.10484	1.2
237.11266	0.4
238.12044	3.2
239.12747	0.3
245.19063	10.7
246.19464	0.6
247.17017	0.4
249.14917	0.7
253.10796	1.9
261.18527	0.8
263.20160	3.4
263.70285	0.3
271.17020	1.9
279.19662	1.2
287.16559	0.4
289.18082	35.6
290.18359	2.7
307.19138	100.0
308.19440	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	307.1914
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
55.28104	2.9
56.87552	2.5
57.03318	8.5
59.01247	9.7
64.23335	2.3
68.71005	2.4
70.21474	3.0
70.21820	12.1
71.01245	6.7
73.81425	2.4
81.59322	2.5
83.04882	5.6
97.06466	17.4
108.15488	2.7
109.06437	5.4
111.08043	5.4
119.78795	2.7
121.06491	2.8
123.04430	3.0
125.09593	6.3
149.09644	3.0
151.11182	16.1
153.09059	4.7
155.10666	13.8
163.11194	3.2
165.12762	21.2
167.10637	4.9
179.10703	5.6
181.12216	19.8
191.10686	11.7
191.14285	7.1
205.12253	3.8
209.11755	48.5
210.11932	2.7
211.13286	6.3
224.10440	2.8
245.19035	35.4
263.20120	11.5
279.19568	4.5
279.81497	2.8
289.18085	49.7
307.19067	100.0
308.19394	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	307.14
Annotation	NSC-224070
Peak:m/z	Relative Intensity
51.52937	3.2
53.17900	3.3
57.03297	3.5
57.34733	3.5
59.01256	63.7
70.44641	8.2
70.45036	6.8
71.01254	26.5
72.99184	3.9
75.00717	4.0
78.43728	3.3
85.02838	6.9
89.02325	19.8
94.58778	3.5
99.00822	4.2
101.02331	21.7
113.02325	10.0
113.34251	3.6
119.03386	9.1
127.07531	10.9
129.60129	4.1
134.94450	3.2
143.04570	4.4
145.08624	19.4
170.34363	4.2
307.08429	4.7
307.13980	100.0
308.14233	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36131	1.8
57.03325	3.9
59.01243	7.1
62.20498	1.8
62.88660	1.7
68.02401	2.0
69.03340	2.7
69.26409	11.3
69.26829	8.7
73.00813	1.5
75.64545	1.6
81.03343	5.3
83.01250	4.5
83.04899	4.1
83.14920	1.8
95.04899	4.3
97.02839	3.8
97.06475	7.1
116.25732	1.7
118.04131	1.7
119.08593	1.7
121.06493	2.6
121.66078	1.6
123.04417	10.1
123.08073	3.2
125.05982	2.5
125.09640	17.7
135.08072	4.3
137.09604	9.5
141.12758	2.2
147.15079	1.8
149.05969	3.4
163.07533	2.5
163.11183	10.6
178.26367	1.8
181.12256	2.7
185.11761	20.7
191.10620	2.4
191.14368	17.2
207.10242	9.5
209.11765	30.2
219.39975	1.9
225.08923	1.6
225.11292	9.8
239.08209	1.9
245.19090	44.2
246.19543	2.3
247.16641	2.0
248.45671	1.8
271.17075	5.8
289.18094	100.0
290.18405	6.5
307.19171	57.1
308.19437	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59620	0.2
59.01262	0.4
59.96592	0.5
67.74651	0.2
68.92075	0.2
70.20301	1.0
71.01273	0.2
71.63725	0.2
74.98943	4.9
74.99341	0.3
75.96082	0.4
91.02085	2.9
93.00006	4.3
98.19890	0.2
102.08045	0.2
143.05284	0.2
149.00871	3.2
159.08383	7.1
160.08563	0.3
161.06302	2.0
181.22066	0.2
192.98091	0.9
206.99649	1.3
209.01192	2.4
209.11874	0.3
210.99243	0.4
217.07172	0.9
223.02794	49.0
224.02820	3.5
225.00752	0.6
241.03752	1.4
275.05963	0.4
289.07584	1.7
289.18085	0.6
291.09097	100.0
292.09219	9.6
307.12280	2.4
307.19238	0.8
308.12299	0.3
309.10178	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.14
Annotation	NSC-224070
Peak:m/z	Relative Intensity
55.01745	1.5
57.03314	1.2
58.00463	1.8
59.01249	45.1
69.65641	4.6
71.01252	23.4
72.99172	3.1
73.02831	1.4
80.96397	1.3
83.01270	1.7
85.02818	6.5
87.00742	1.9
89.02316	21.8
94.37919	0.8
95.01260	2.1
99.08036	23.1
100.08354	0.9
101.02327	18.0
108.96169	0.7
113.02342	9.9
119.03398	8.4
127.07566	3.7
129.09132	1.7
131.03374	1.3
141.09125	2.1
143.03412	0.9
143.07079	0.8
143.10579	0.7
145.08614	73.5
146.08945	2.4
149.04425	0.9
162.66779	0.7
169.07648	0.7
169.84610	0.7
187.09659	1.2
194.95456	0.7
206.90509	0.8
225.11282	2.7
307.13980	100.0
308.14377	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	307.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23533	0.3
54.99183	0.3
59.01243	0.5
67.18452	0.3
67.47535	0.4
70.33353	0.9
70.33743	0.6
71.01225	0.3
74.98941	5.3
91.02082	2.6
93.00010	4.2
149.00870	3.3
159.08372	6.5
161.06274	2.1
192.98039	0.8
195.13727	0.4
206.99612	1.5
209.01190	2.3
215.98759	0.4
217.07144	0.8
218.32904	0.4
223.02782	49.2
224.02802	3.4
225.00787	0.6
241.03828	1.4
269.78577	0.3
275.06006	0.4
283.18832	0.3
286.58838	0.4
289.07562	1.8
289.17978	1.3
291.09088	100.0
292.09219	9.7
307.12369	2.7
307.19141	1.3
308.12186	0.4
309.10107	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	306.2074
Annotation	2-(4-Hydroxyphenyl)-1-nitroethane
Peak:m/z	Relative Intensity
59.01239	6.1
68.00391	2.6
68.02419	6.8
69.03337	3.5
70.23248	10.6
71.01258	3.9
72.76611	2.3
81.03297	2.3
83.04920	3.6
83.21709	2.3
97.06478	5.6
109.06497	5.1
119.08531	4.3
123.08054	2.2
125.09529	2.7
127.07573	2.9
137.09613	6.7
141.09132	2.5
165.12756	3.3
168.10184	11.1
171.10179	3.0
174.12817	5.3
185.11804	7.1
191.14343	2.7
209.11768	8.2
210.11476	2.8
220.13243	2.9
236.12866	3.8
244.20694	20.5
245.19067	13.5
261.18652	3.9
262.18222	2.4
263.20163	2.6
270.18625	9.1
275.20502	3.0
288.19730	45.2
289.17847	30.4
289.20914	4.8
306.20767	100.0
307.19168	34.1
307.22476	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	306.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	3.6
59.01240	6.3
63.13358	1.3
68.02411	6.4
69.03334	1.5
70.33153	6.0
71.01243	4.4
72.25857	1.2
79.76147	1.3
83.04893	2.0
96.95911	1.8
97.06468	5.1
99.04376	1.7
108.08051	1.4
109.06482	2.1
111.08056	2.1
112.35793	1.3
120.81388	1.2
123.08012	1.9
125.09605	2.8
127.07478	1.6
149.09605	1.5
151.11183	4.3
155.10695	3.0
161.96188	1.3
163.11232	2.9
165.12784	6.6
167.10663	1.8
169.12276	2.1
171.10153	1.6
179.10680	1.3
181.12233	4.4
185.11772	1.6
191.10686	2.3
191.14314	4.1
193.12151	1.6
197.11806	3.4
209.11835	15.1
211.13374	8.2
244.20663	4.1
245.19052	11.0
260.16501	3.7
261.18652	1.7
263.20142	2.5
276.20923	8.3
279.19553	1.5
285.77698	1.2
288.16852	2.2
288.19705	12.8
289.18015	23.3
306.20743	100.0
307.13501	1.4
307.18951	24.5
314.44788	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	307.0976
Annotation	Sterequinone E
Peak:m/z	Relative Intensity
59.01252	2.6
65.03837	3.7
67.91507	1.0
71.01266	1.2
71.04890	9.5
71.57465	1.4
78.56774	1.0
84.03149	1.0
93.03271	2.4
96.95908	1.2
97.06455	5.6
106.04165	1.4
109.06479	1.9
121.02821	1.8
121.06477	5.5
123.08023	2.3
125.09610	2.7
130.04112	1.3
135.08044	3.0
137.02411	2.6
137.09615	1.1
161.02338	1.9
162.03117	4.6
166.05850	1.1
171.04443	2.0
171.10153	3.2
177.05490	8.1
185.11745	4.5
191.14328	3.4
199.13239	1.4
205.15988	1.6
206.07393	1.7
207.08057	3.6
207.13858	2.8
209.11745	2.7
211.13330	1.7
221.06137	1.6
223.13382	3.4
233.15454	4.8
235.07603	11.1
235.13368	11.9
236.08362	4.6
245.19110	5.4
247.07591	2.4
249.05600	2.5
249.14937	7.7
257.72928	1.4
263.07159	39.1
263.16415	1.4
264.07831	8.4
271.17026	1.4
274.06430	2.9
275.07141	1.3
289.14841	2.3
289.18100	43.0
290.18271	3.2
291.06656	21.0
292.07431	100.0
293.07669	8.4
307.09738	57.9
307.15460	2.1
307.19110	20.3
308.10071	5.9
308.19135	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	306.0766
Annotation	Glutathione
Peak:m/z	Relative Intensity
53.20599	1.7
58.02859	13.0
60.63224	1.6
70.02884	3.3
71.17332	2.3
71.17677	1.8
72.00783	3.4
73.02310	1.5
74.02345	32.0
82.02880	3.4
84.04435	3.3
86.02354	11.6
87.05523	12.3
90.00048	2.0
97.03967	4.9
99.05521	27.7
101.07075	4.6
102.05470	2.5
107.30342	1.8
109.03948	2.9
111.05540	4.0
112.03917	3.4
113.03446	2.1
116.01641	2.7
120.01136	2.0
123.05534	3.4
127.05033	4.5
128.03429	68.9
128.04381	4.0
129.03787	2.3
131.04515	4.1
135.05525	6.0
137.07028	2.3
141.06596	7.6
143.04526	100.0
144.04759	2.2
145.06085	4.4
146.04486	9.0
153.06635	7.4
160.00644	24.4
166.09752	3.0
167.04553	7.6
171.04135	2.7
174.07312	1.7
177.03294	6.4
179.04555	22.1
185.05568	3.4
192.07867	2.9
197.05620	4.8
210.08806	19.9
228.09914	3.4
242.07951	2.7
254.07828	24.3
272.08884	27.9
273.08969	2.7
306.07684	29.1
307.07797	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	306.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21888	1.0
56.88359	0.9
57.03318	4.8
58.81350	0.9
59.01249	6.2
67.01726	1.4
67.42899	1.0
68.02410	86.7
69.03331	2.0
69.99660	4.5
71.04884	1.2
79.69189	1.1
80.02570	1.3
81.03341	4.4
82.03977	8.5
83.01273	4.2
83.04891	3.3
87.51825	0.9
95.04899	3.3
97.02821	4.8
97.06478	5.4
98.94418	0.9
109.06464	2.6
110.03603	1.3
110.99942	5.0
111.08031	1.5
119.41051	0.9
121.06497	2.6
123.04400	9.0
123.08051	4.1
125.05946	1.8
125.09617	14.3
126.78252	1.0
135.08044	4.3
136.05254	1.0
137.05984	2.1
137.09621	9.4
141.12761	3.3
142.02614	0.9
144.07539	1.0
149.05966	2.6
160.08850	1.1
161.09656	1.6
163.07523	1.2
163.11212	11.5
165.01006	2.0
165.09102	1.3
165.12747	4.1
167.10704	1.2
171.10243	1.5
177.12619	1.3
179.10657	2.3
181.12279	3.6
185.11752	15.9
191.10728	2.0
191.14360	16.3
204.94077	1.0
207.10246	8.9
209.11763	24.1
211.13275	1.2
217.15952	1.3
223.08902	100.0
224.09248	4.0
225.11250	7.9
243.17506	1.3
245.19075	37.2
261.18521	1.0
263.19919	1.3
271.17026	4.0
279.19864	1.2
289.18091	88.6
307.13657	2.3
307.19147	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2487
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
50.35430	3.2
57.30248	3.2
65.68610	3.0
67.65065	3.2
70.32534	16.6
77.42007	3.7
91.04246	3.4
108.94524	3.8
142.95200	3.6
220.61987	4.4
245.99652	3.9
305.24863	100.0
306.25171	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	306.0767
Annotation	Glutathione
Peak:m/z	Relative Intensity
51.03964	1.1
58.02858	12.5
66.03345	2.1
70.02847	2.2
70.71424	3.6
70.71780	1.8
72.00768	1.9
74.02347	25.9
82.02869	3.8
86.02354	9.3
86.05983	1.5
86.98992	1.5
87.05515	9.9
88.03930	1.3
90.00066	3.1
97.03954	2.0
99.05522	21.5
100.00283	2.4
101.07085	4.5
102.05470	2.4
107.06023	2.4
109.03957	4.3
111.05532	1.9
112.03939	3.4
123.05527	3.1
124.03967	2.6
125.03495	2.4
127.05050	4.7
128.03430	68.8
131.04497	2.2
135.05536	4.2
137.07088	2.8
139.04956	1.8
141.06612	8.3
143.04529	100.0
144.04831	3.6
145.06075	4.9
145.37659	1.3
146.04472	9.4
149.07184	1.9
152.77284	1.3
153.06642	6.5
160.00658	26.3
166.09758	3.8
167.04576	7.7
167.08145	1.6
170.03323	1.4
171.07678	1.3
177.03293	12.9
179.04549	20.7
181.06099	2.4
184.10802	1.8
185.05576	3.7
197.05605	5.1
198.08727	2.4
210.08768	19.5
211.08987	2.3
242.07654	1.9
254.07826	26.9
272.08881	37.4
273.09299	1.6
288.06631	6.5
304.62003	1.4
306.07660	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.0767
Annotation	Glutathione
Peak:m/z	Relative Intensity
50.91399	1.1
58.02851	20.7
58.31879	1.1
59.01256	3.7
63.13313	1.2
66.03355	2.0
67.45344	1.2
69.35896	11.1
70.02851	2.2
71.01258	3.6
72.00803	2.0
74.02348	37.5
81.04462	1.9
82.02864	4.8
84.04427	2.9
85.02826	1.4
85.04001	2.2
86.02347	12.3
86.05988	1.9
86.98984	3.6
87.05510	13.2
89.02328	2.4
90.00076	3.5
97.03959	5.2
99.05519	25.6
99.08055	1.8
101.02332	1.8
101.07090	3.7
102.01894	1.2
102.05483	3.9
107.06071	1.5
109.03986	4.9
111.05524	2.5
112.03928	5.2
113.83842	1.2
116.01648	1.6
120.01123	1.4
120.04517	1.5
123.05547	2.9
124.03951	2.7
125.03476	3.0
127.05037	5.7
128.03429	69.4
128.56029	1.5
129.03741	1.6
131.04561	2.2
135.05551	5.1
137.07133	1.9
141.06599	7.1
143.04530	100.0
144.04828	2.3
145.06107	5.2
145.08623	4.1
146.04500	7.9
153.06619	5.2
160.00658	22.3
166.09784	3.5
167.04555	8.6
167.08176	2.5
171.07674	1.7
177.03349	9.1
179.04541	18.4
181.06192	2.4
184.10786	2.1
185.05602	3.8
192.07861	1.6
197.05692	3.3
198.08788	2.3
210.08774	20.5
222.71974	1.3
242.07870	3.6
247.10994	4.1
254.07808	22.1
255.08171	1.7
272.08865	27.4
288.06653	6.0
306.07700	31.9
307.07928	2.0
307.13885	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	305.187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97905	1.0
55.07033	1.0
56.53927	0.9
57.03318	1.7
59.01231	1.6
65.03834	24.4
66.03368	6.1
67.02885	2.7
69.04443	6.6
70.02848	1.5
70.41765	1.5
70.42163	2.4
71.01250	1.3
72.00774	4.5
74.02355	3.2
80.04929	74.7
81.05259	1.4
83.01262	4.4
85.02798	1.1
91.02876	1.3
91.05435	1.2
92.04942	6.6
94.02872	3.6
96.04431	34.2
97.04760	1.2
99.00762	2.3
106.06520	14.0
115.71449	1.0
116.04947	11.8
118.06505	21.1
118.98098	1.1
122.09536	1.1
124.03935	6.5
125.09625	5.6
133.07607	2.4
134.06007	3.6
135.09167	20.4
141.12721	2.6
142.12274	100.0
143.12631	3.8
144.04405	1.3
146.07918	1.0
161.07155	1.5
162.05521	41.8
163.05801	1.4
168.13858	14.2
170.11678	1.6
179.08194	45.2
180.08504	2.2
182.11800	2.5
182.15332	6.5
186.11288	2.1
193.13348	1.8
195.14955	21.5
196.13376	2.1
216.55592	1.2
224.12848	3.1
226.14410	4.2
226.16470	1.2
243.18633	1.4
259.18134	1.2
261.19690	8.9
305.18695	24.4
306.19025	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	305.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73186	0.9
57.03331	1.8
59.01239	2.8
65.03837	3.0
69.03337	1.4
70.14762	0.9
71.04891	8.5
71.84191	0.9
75.07995	0.9
79.05408	13.8
83.04897	1.6
93.03326	1.4
94.04102	1.2
95.04887	1.2
97.06474	14.9
99.04436	1.0
106.04129	8.2
107.04910	2.9
109.06489	3.3
117.07046	1.0
120.05712	7.3
121.06480	3.8
123.08054	8.2
125.09621	16.1
133.06519	1.2
135.08060	100.0
136.08366	3.7
137.09604	2.7
139.34546	0.9
151.11197	2.9
162.06879	0.9
163.11133	1.8
183.10216	1.5
185.11777	2.0
189.12733	2.7
205.15936	4.8
207.10155	2.1
209.11871	1.6
221.11768	1.6
231.13805	1.8
233.11755	1.6
243.17493	1.9
247.13086	1.1
249.14941	51.5
250.15283	4.0
263.16498	2.0
269.15576	1.9
276.87421	1.0
287.16623	5.4
305.08276	1.8
305.17584	67.4
306.17868	6.6
321.59689	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56054	1.4
59.01247	4.6
65.03823	3.5
65.31650	1.6
69.60831	3.2
69.61243	10.0
71.04884	10.1
73.02832	2.7
79.05392	10.5
81.03336	1.9
83.04898	3.9
93.02734	1.6
93.03308	2.0
95.04916	2.4
97.06463	19.4
99.04395	11.5
99.70488	1.6
106.04093	7.1
107.04918	3.9
107.08544	1.9
109.02862	2.0
109.06464	5.4
119.04938	2.5
120.05701	6.1
121.06502	4.6
123.08020	10.4
125.05972	3.8
125.09602	13.5
133.06532	2.2
135.08055	90.7
136.08369	3.9
149.09576	2.2
151.11134	2.4
156.23820	1.8
163.11177	2.5
164.08369	1.8
185.11725	2.4
189.12790	3.6
195.13820	3.1
205.15880	5.8
207.10313	2.5
209.11768	12.9
231.13918	4.5
239.98978	1.7
243.17549	14.3
249.14928	50.1
250.12154	2.7
250.15269	2.3
263.16553	2.4
269.15500	2.9
287.16510	22.4
288.16870	3.2
304.21637	1.7
305.17584	100.0
306.17993	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	305.1759
Annotation	Corrin
Peak:m/z	Relative Intensity
53.85088	1.0
57.03331	4.9
59.01251	6.0
61.87558	1.0
65.03819	3.2
69.03314	2.8
69.75565	6.6
69.81436	0.9
71.01237	1.4
71.04884	16.7
73.55006	0.9
80.02541	1.6
81.03316	4.0
83.04876	4.1
91.05386	1.2
93.03340	1.6
93.07017	1.4
95.04902	12.6
97.06470	12.0
106.04114	4.2
107.04906	3.9
109.06475	20.9
111.04366	0.9
119.04901	4.4
121.02790	1.2
121.06425	2.3
122.03600	1.6
123.08040	4.3
125.09615	21.7
126.09884	1.0
133.06483	8.7
135.08049	93.5
136.08377	3.2
137.09605	2.4
147.04398	2.5
149.09633	2.4
151.11206	7.6
161.05960	2.5
161.09586	1.5
162.06805	1.4
163.11201	2.1
165.09149	1.2
165.12733	2.0
167.10670	1.0
171.10181	6.6
175.11243	1.0
177.12706	3.0
179.14290	2.1
185.11754	13.8
189.12717	8.4
193.12239	2.1
205.15872	2.6
207.10225	1.7
209.09859	1.8
209.11768	22.3
210.12105	1.9
211.13350	4.1
223.13345	15.7
233.11748	11.0
235.13460	1.5
243.17485	10.3
249.14917	35.3
250.15356	2.1
261.18542	3.1
263.16483	12.8
269.15567	1.4
277.18112	4.9
287.13376	2.1
287.16516	30.6
288.16962	2.0
305.17563	100.0
306.17978	8.8
307.12390	1.0
313.54193	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	2.8
56.41978	2.9
57.03310	5.0
58.26079	3.4
59.01257	16.6
61.43715	2.9
64.68742	2.9
66.93661	2.8
69.68783	15.0
70.50542	3.0
71.04895	16.3
73.02843	7.0
95.04874	4.1
97.06473	7.9
99.04397	98.0
107.06391	2.8
107.08515	4.1
108.81306	2.9
109.06512	4.5
118.90472	2.8
121.06470	4.3
122.03619	3.5
123.08076	25.9
125.05986	11.9
135.08061	8.2
136.05237	3.9
138.06781	2.9
149.09641	10.1
153.09261	3.3
153.74863	2.9
155.70480	2.7
161.09677	3.7
175.11243	4.3
189.12694	5.3
193.12238	6.1
205.12263	6.8
219.13873	10.1
231.13948	4.5
243.17497	54.5
249.15016	8.0
261.18506	6.1
269.15436	6.0
287.16562	78.7
288.16800	5.7
305.08496	4.1
305.17606	100.0
306.17828	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	305.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	0.8
59.01249	100.0
60.01588	0.8
65.57417	0.6
71.01255	4.5
71.24370	0.6
71.37273	1.0
71.37617	1.3
73.02824	2.0
83.01270	1.0
85.02837	2.5
99.00727	0.9
101.01778	0.7
101.02315	4.0
113.02353	1.4
152.40411	0.9
161.04483	1.5
178.72540	0.7
263.14883	5.4
267.50699	0.8
325.42145	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63683	4.0
59.01246	14.6
60.19620	4.2
63.26798	4.4
69.03308	4.9
71.04883	16.4
71.57579	8.7
73.02792	10.8
82.42722	4.5
95.04863	5.2
97.06483	9.6
99.04395	100.0
109.06498	7.7
123.08085	22.9
124.70686	4.2
125.05962	8.8
126.04104	4.1
135.08063	7.3
136.05135	8.0
149.09612	9.3
175.11179	5.9
189.12718	6.4
205.12219	6.1
219.13828	7.8
222.59613	4.4
243.17569	51.9
249.15016	7.1
261.18762	5.5
262.26218	4.3
269.15475	9.7
287.16553	78.5
305.17596	82.9
305.20871	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	305.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73250	1.0
56.55390	1.0
57.03312	1.9
59.01254	100.0
69.55006	1.0
70.81213	1.7
70.81554	1.5
71.01259	7.6
73.02819	2.9
74.02337	1.6
75.97454	1.1
78.95781	1.2
85.02828	4.0
88.17825	1.0
90.98439	1.3
99.05520	2.5
101.02318	8.7
113.02333	3.8
119.94083	0.8
120.40484	1.3
123.07961	1.2
128.03450	3.0
136.05148	1.2
143.04512	4.5
160.00575	1.5
161.04448	2.2
231.15889	1.5
254.07712	1.6
263.14963	3.4
267.68085	1.0
272.09058	1.3
277.08932	1.3
287.16461	1.3
305.14072	1.2
305.17526	4.5
306.07840	1.6
312.84317	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87959	1.6
57.03842	1.5
58.02852	44.0
67.38010	1.4
68.70193	1.5
69.69051	9.6
71.56194	1.4
168.13858	100.0
169.14157	4.6
212.12849	2.7
312.93372	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	304.2282
Annotation	Samandarine
Peak:m/z	Relative Intensity
58.02848	0.8
59.01257	1.1
65.56615	0.5
71.58241	0.5
82.65736	0.5
82.72895	0.6
86.05986	40.4
94.08443	0.6
99.04382	0.7
107.72024	0.6
130.04968	1.3
168.13840	1.4
262.21747	1.5
282.88031	0.5
287.16638	1.1
298.29413	0.5
304.22809	100.0
305.17538	2.3
305.23083	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	305.0643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04495	1.1
59.01255	3.0
61.98704	2.4
70.45552	3.9
71.01258	2.6
71.06905	1.2
72.99181	17.8
75.00750	11.3
90.80066	1.1
91.65833	1.1
98.19735	1.0
98.20324	1.9
99.41924	1.2
99.90427	1.1
111.01888	3.1
114.13507	1.0
115.00253	2.6
133.01303	5.4
133.04958	100.0
143.04529	1.8
144.74315	1.3
156.02032	1.1
185.18791	1.2
252.93639	1.4
305.06400	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.6
59.01255	2.3
69.03329	1.1
71.01255	9.1
71.06046	1.4
72.99166	0.6
73.02842	0.7
85.02856	1.3
88.88815	0.6
96.14001	0.5
96.95877	4.7
97.02850	1.6
100.16547	0.5
101.02333	1.6
113.02369	0.8
119.04911	1.3
128.03436	0.6
143.04555	1.0
144.08112	0.9
145.07623	21.1
146.04774	2.2
146.07927	1.0
156.08147	0.5
158.08397	0.8
159.05522	3.6
159.09196	3.6
160.06337	65.6
161.07117	100.0
162.07515	4.3
163.03922	1.2
171.09196	1.9
173.07172	2.5
173.10767	7.0
175.08688	44.7
176.08990	1.4
183.09200	1.4
185.10774	5.1
186.07877	2.6
187.08681	16.6
189.06621	81.2
190.07057	5.2
199.08737	1.7
201.10266	24.7
202.10628	1.7
203.08197	24.5
203.11839	24.2
204.08563	1.1
204.12189	1.9
209.02979	0.5
211.08798	0.7
215.08255	0.9
217.09787	1.7
227.08119	0.8
229.09782	54.2
230.10100	3.3
231.07947	0.5
233.12956	0.6
245.09273	1.4
277.11935	8.2
287.10519	0.5
305.11407	34.8
306.11813	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	304.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44633	0.5
59.01252	4.2
69.32845	0.5
71.01244	3.0
71.57867	1.1
74.00565	0.6
74.02338	0.7
78.95724	0.7
82.02854	6.8
85.02816	0.8
88.03928	2.1
89.02299	1.0
90.57874	0.5
91.03896	1.3
95.09280	0.6
97.03934	0.7
98.02339	0.7
100.00298	0.6
100.03931	0.8
101.02338	1.5
128.03438	1.8
137.22009	0.7
144.06831	1.1
145.07622	100.0
146.08020	3.8
170.07175	7.8
173.07095	0.9
175.01642	0.8
188.08264	10.0
210.10297	3.2
213.10284	0.7
214.09813	50.0
214.86891	0.7
215.10208	2.8
226.09947	2.9
228.11441	2.4
229.14426	2.1
230.14777	7.1
238.09906	1.7
244.10905	6.0
256.10907	20.5
257.11316	1.0
268.10870	4.8
278.24741	0.7
304.12930	4.7
305.17642	0.9
305.23325	0.8
309.08871	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	10.6
71.01257	4.1
72.99181	2.1
73.02807	2.2
73.37717	1.6
75.00770	2.3
83.04878	1.7
85.02857	1.9
89.02319	5.6
91.03883	18.8
93.03347	3.2
100.00272	1.8
115.11687	1.6
122.60885	1.7
125.09574	2.5
127.11214	2.3
128.03375	3.0
141.04088	2.8
145.07628	3.1
169.06093	2.0
171.10194	5.9
175.01823	2.0
188.92860	1.6
194.49358	1.7
197.71753	1.6
199.13232	2.4
201.11218	5.0
209.11745	3.0
211.13322	7.3
229.14410	100.0
229.35756	2.3
230.14769	6.3
230.18848	1.6
241.82666	1.7
259.15573	2.4
261.74326	1.6
303.14639	3.4
303.18082	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	303.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50618	0.5
55.06767	0.6
59.01242	0.8
68.99685	1.2
71.56779	0.6
71.57138	0.8
85.01140	0.5
93.03332	10.3
97.06500	0.7
99.67097	0.6
117.03310	0.7
119.04914	2.3
121.06429	0.8
131.04901	5.6
139.73210	0.7
147.04434	11.7
149.05978	16.4
150.06343	1.1
169.35599	0.5
227.96910	0.6
230.24855	0.7
275.20209	0.7
285.18753	1.1
302.95578	0.8
303.19644	100.0
304.19980	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	303.233
Annotation	Arachidonic Acid (peroxide free)
Peak:m/z	Relative Intensity
51.46725	1.7
72.28143	1.8
76.41591	1.8
85.87440	2.0
88.36852	1.9
98.20547	7.2
162.62053	2.1
229.57130	2.7
303.23318	100.0
304.23660	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	303.2329
Annotation	Arachidonic Acid (peroxide free)
Peak:m/z	Relative Intensity
51.49586	1.0
57.65330	1.0
85.01952	0.9
95.50175	1.1
100.59351	1.0
186.31448	1.3
303.23276	100.0
304.23663	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	303.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65970	0.6
57.03325	3.3
58.00477	0.7
59.01252	8.0
63.97891	0.7
71.01273	3.5
71.04902	0.6
71.05872	1.9
72.99197	0.9
73.02818	1.4
75.00709	0.7
75.75497	0.6
83.04903	0.8
85.02832	0.8
87.00740	0.8
89.02310	5.5
91.03886	18.9
99.04384	2.3
101.02319	1.4
101.54427	0.6
104.52564	0.6
111.00716	0.6
125.09637	2.4
127.11180	3.0
128.03441	0.8
129.01859	1.2
135.02908	0.9
141.04047	1.4
155.14378	0.8
157.91518	0.6
159.02901	11.1
161.04491	5.5
167.14265	1.1
171.10184	3.0
175.74031	0.6
183.13834	1.4
185.11751	7.3
193.12184	0.7
199.13354	0.9
201.11266	2.5
209.11778	2.4
211.09752	1.4
211.13358	8.7
213.11324	1.7
229.14421	100.0
230.14792	6.0
303.14447	3.7
303.18127	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	303.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.0
59.01235	0.9
69.42726	3.1
74.66279	0.3
78.95779	0.7
85.02821	0.5
87.04372	0.5
89.02302	0.4
91.03884	1.1
94.58931	0.3
98.19766	0.4
125.09601	2.0
127.11224	2.5
128.03281	0.3
141.04083	0.5
152.79866	0.5
152.99442	0.6
155.14317	1.3
165.12694	0.6
167.14336	1.0
171.10201	2.8
183.13832	0.7
199.13278	0.4
209.11798	2.0
211.13385	5.1
229.14407	100.0
230.14731	5.7
267.54019	0.3
278.45734	0.4
303.15790	0.5
310.27863	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.2
59.01250	7.2
71.01254	1.8
71.56661	2.4
82.02798	1.6
85.02813	1.5
89.02307	3.3
91.03887	17.4
92.33961	1.3
105.99565	1.6
125.09624	3.2
127.11208	2.5
128.03439	3.3
128.12601	1.5
141.04108	3.3
145.07617	15.8
169.12189	3.8
181.12244	2.7
193.12209	2.4
201.11028	1.9
211.13274	7.3
214.09842	9.8
229.14415	100.0
230.14722	6.6
255.06621	5.9
256.10876	3.1
303.09247	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	303.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	10.6
71.01257	4.1
72.99181	2.1
73.02807	2.2
73.37717	1.6
75.00770	2.3
83.04878	1.7
85.02857	1.9
89.02319	5.6
91.03883	18.8
93.03347	3.2
100.00272	1.8
115.11687	1.6
122.60885	1.7
125.09574	2.5
127.11214	2.3
128.03375	3.0
141.04088	2.8
145.07628	3.1
169.06093	2.0
171.10194	5.9
175.01823	2.0
188.92860	1.6
194.49358	1.7
197.71753	1.6
199.13232	2.4
201.11218	5.0
209.11745	3.0
211.13322	7.3
229.14410	100.0
229.35756	2.3
230.14769	6.3
230.18848	1.6
241.82666	1.7
259.15573	2.4
261.74326	1.6
303.14639	3.4
303.18082	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	303.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57140	0.8
56.96457	0.9
57.03313	4.1
58.02847	1.8
59.01255	6.6
61.90441	1.1
69.03304	1.5
70.02838	4.4
71.01243	1.8
71.57568	1.4
72.00791	1.1
74.02342	1.0
75.00748	1.7
89.02300	1.3
91.03875	2.0
96.00790	2.3
97.06480	1.6
112.64863	1.0
113.03451	3.9
114.01862	5.9
123.08088	1.1
125.09612	4.4
128.03444	1.5
131.04535	5.9
139.11194	4.8
141.04089	1.7
141.12730	3.7
145.07603	1.3
155.10654	1.9
167.10695	16.3
171.04460	0.9
171.10167	1.9
185.11755	100.0
186.12123	5.1
188.07069	5.4
201.11241	3.0
211.09767	2.1
213.11189	1.9
229.10782	14.0
229.14351	2.4
285.08789	7.8
303.09818	6.7
303.14444	37.4
303.17725	3.0
304.14777	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	303.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.5
59.01245	1.4
62.23370	0.5
62.40556	0.5
67.40315	0.4
69.52819	3.1
69.53227	1.3
69.58648	0.5
83.04858	0.7
85.02840	0.5
91.03881	1.3
98.20589	0.9
99.07989	0.6
125.09606	2.5
127.11171	3.2
133.06456	1.2
155.14307	1.4
167.14240	0.9
169.06111	0.6
171.10159	3.3
183.13852	1.2
183.36800	0.6
209.11813	2.3
211.13345	5.7
213.64401	0.6
229.14415	100.0
230.14735	6.3
285.14780	1.1
303.15750	1.2
303.21686	0.7
304.09592	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.202
Annotation	Emedastine
Peak:m/z	Relative Intensity
54.37181	0.4
57.03321	1.5
58.00470	0.7
59.01246	5.3
69.03313	1.5
69.40007	1.7
69.40433	2.2
71.01250	17.5
71.04887	6.8
72.99184	1.4
81.03297	0.5
83.01201	0.4
83.04901	2.0
84.02014	0.5
87.00770	1.1
89.02323	1.7
93.03361	0.7
99.08029	5.7
99.17469	0.5
101.05973	0.8
101.52906	0.5
109.06468	1.2
110.05984	0.5
111.04404	0.9
111.08043	13.3
123.00768	0.6
125.09618	1.7
127.07529	1.0
127.11169	2.3
129.09134	1.7
137.09657	0.5
142.50018	0.5
165.12787	3.8
167.10707	0.7
167.14317	1.1
171.10182	27.6
172.10512	0.5
179.14326	0.6
179.94846	0.5
183.13838	8.0
193.12265	2.1
199.02231	0.9
200.03094	0.4
209.11755	1.7
211.13333	91.2
212.13675	5.3
213.14934	2.9
223.13335	1.1
229.14415	10.1
235.13322	0.9
237.18573	2.8
241.14435	10.4
242.14713	0.5
247.13461	1.0
253.14404	1.5
255.16006	2.2
257.12967	0.8
265.14465	2.5
265.18079	1.6
271.15488	0.5
283.15652	1.0
283.19080	1.3
286.35904	0.6
300.99850	1.3
301.13028	5.8
301.20187	100.0
302.13452	0.5
302.20499	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	303.0946
Annotation	Vicine
Peak:m/z	Relative Intensity
55.30818	1.8
65.70573	1.7
70.14537	8.0
71.73045	1.6
81.00800	1.7
97.00362	2.3
98.01099	3.7
99.01874	11.1
105.83915	1.6
110.39021	2.0
121.47264	1.7
131.08189	3.2
132.06628	1.8
133.04887	1.6
139.40543	1.8
140.03284	13.1
141.04091	100.0
303.09521	24.3
318.22083	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	303.1449
Annotation	Creoside I
Peak:m/z	Relative Intensity
53.36523	1.1
54.79750	1.1
57.03312	4.6
57.97470	1.1
58.05729	1.1
59.01250	100.0
64.88419	1.1
64.93304	1.2
69.03315	1.2
71.01254	14.3
71.57927	1.9
73.02811	7.5
75.00735	1.9
83.01252	2.9
85.02827	3.9
89.02308	6.2
94.02849	7.0
96.95904	1.3
99.80297	1.2
101.02314	6.2
105.05757	1.3
113.02309	4.9
119.03410	2.1
119.66962	1.3
120.08066	12.4
123.08086	2.0
125.09605	4.0
130.08641	2.2
138.05461	5.2
139.11172	3.0
141.12662	2.9
159.02936	1.3
161.04439	2.2
164.07088	1.9
167.10690	11.3
171.10117	1.5
180.76796	1.1
185.11751	87.2
186.12035	3.7
201.11223	2.4
211.09647	2.1
229.10822	11.3
229.14246	2.1
241.96576	1.2
243.12103	2.0
275.96216	1.2
285.12256	1.6
303.14450	38.0
304.14859	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	301.202
Annotation	Koninginin G
Peak:m/z	Relative Intensity
55.86740	0.4
57.03327	0.7
58.00469	1.6
59.01251	6.1
68.32559	0.4
69.03336	0.6
70.63100	0.6
70.63480	1.4
71.01281	0.4
71.04890	4.8
72.99172	0.5
77.84917	0.5
83.04914	0.7
85.06478	0.7
87.04376	0.5
91.03910	0.5
93.84959	0.5
99.04411	1.1
99.08029	0.9
101.02364	0.4
101.05965	6.5
111.08013	0.8
121.85796	0.4
124.49876	0.4
129.09120	1.3
153.09125	0.8
155.10645	0.6
155.14392	0.6
165.12788	2.5
167.10663	0.6
169.12257	7.4
171.10220	0.6
180.57887	0.4
181.12280	5.3
183.13834	56.0
184.12744	0.5
184.14194	3.2
193.12218	2.1
196.96501	0.4
197.11819	1.6
199.13330	15.8
200.13705	0.9
203.17981	0.7
209.11847	1.2
211.13365	9.7
213.14833	0.6
227.12866	4.4
229.14407	0.8
239.45851	0.5
247.17039	1.1
250.12958	0.4
265.18103	2.9
282.41953	0.5
283.19138	3.9
301.16800	5.5
301.20181	100.0
302.20563	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	301.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10784	0.3
57.03330	0.3
58.00464	1.7
58.05527	0.4
59.01252	5.1
69.03314	0.4
69.31506	1.9
69.31941	1.7
71.01253	0.4
71.04894	5.5
72.99158	0.4
83.04894	0.6
85.06458	0.6
86.22932	0.3
98.20660	0.6
99.04398	1.4
101.02323	0.5
101.05963	6.8
110.73618	0.4
129.09091	1.0
153.09108	0.5
155.14369	0.6
163.11156	0.4
165.12772	1.4
167.10646	0.6
167.14389	0.4
169.12263	8.2
170.12639	0.8
181.12236	5.1
183.13841	27.5
184.14215	1.8
190.92142	0.4
193.12279	2.0
197.11765	1.7
199.13335	17.6
200.13634	0.9
203.17865	0.6
209.11792	1.1
211.13364	12.1
212.13681	0.9
213.14719	0.4
221.18884	0.4
227.12878	3.2
229.14374	0.5
247.17050	0.9
265.18146	2.7
283.19180	4.0
299.84116	0.4
301.17099	3.7
301.20187	100.0
302.17230	0.4
302.20532	9.5
302.23294	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1659
Annotation	Viridamine
Peak:m/z	Relative Intensity
58.05354	0.4
63.86784	0.4
69.64830	2.1
69.65240	0.7
74.98934	0.5
98.19812	0.8
134.99297	5.0
136.97238	1.8
141.07353	0.4
143.05241	0.5
159.08388	1.5
161.05075	0.7
161.06294	5.9
188.38808	0.4
203.05566	2.7
205.03421	0.9
215.05545	1.0
217.07155	81.1
218.07294	5.1
235.08134	0.6
261.06189	0.5
276.73892	0.4
285.13467	34.7
286.13638	3.9
301.16592	100.0
302.16763	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	301.202
Annotation	Koninginin G
Peak:m/z	Relative Intensity
57.03326	1.1
59.01248	2.1
67.01762	0.5
69.03330	1.5
71.04887	0.6
72.99177	2.0
83.04900	3.3
84.02033	0.7
85.02811	0.8
87.00720	0.6
88.50481	0.6
95.04874	1.0
97.06474	5.0
98.19730	0.8
99.08027	6.9
109.06474	1.1
111.04396	1.2
111.08006	1.0
123.00719	0.5
125.05996	0.5
127.07556	0.7
127.11165	1.9
129.09111	1.5
135.08060	0.5
137.09616	1.2
139.07584	0.4
139.11172	3.9
143.07047	1.1
155.10684	3.9
157.08577	0.5
165.09090	1.1
169.12341	0.4
171.10156	1.7
181.08609	0.8
183.10184	20.3
184.10512	0.9
185.11569	0.4
199.02263	1.0
201.11252	11.2
207.11194	0.5
209.11842	0.5
217.07147	0.5
227.12634	0.5
237.18526	6.0
238.18848	0.5
253.19611	0.4
257.12912	1.6
264.66376	0.4
265.18143	1.5
266.59027	0.5
271.06091	0.8
283.19229	0.9
286.08444	0.6
300.99765	1.3
301.13126	7.1
301.20181	100.0
302.17334	0.8
302.20538	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	301.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43356	0.2
51.96030	0.2
53.40902	0.2
58.00495	0.3
59.01244	0.9
63.29578	0.2
66.63061	0.2
70.67962	0.2
71.57862	0.3
87.00779	0.2
88.61118	0.2
89.02317	0.5
91.03902	0.9
98.78653	0.2
102.12716	0.2
111.08033	0.3
114.85815	0.2
165.12766	4.4
171.10237	0.4
183.13835	100.0
184.14157	4.7
200.59543	0.2
209.11792	2.0
217.07242	0.2
227.12836	5.7
228.13174	0.3
253.08676	0.7
286.07840	0.2
300.99817	0.3
301.16599	7.6
301.20233	3.1
302.16916	0.5
302.20233	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1657
Annotation	oscr#3
Peak:m/z	Relative Intensity
51.73297	0.3
57.03309	1.4
58.97877	0.4
59.01246	3.3
61.63307	0.4
62.26543	0.4
67.53902	0.4
69.43297	0.4
71.01241	0.6
71.22021	0.4
75.46453	0.4
80.28931	0.4
83.04881	0.8
87.00734	0.4
91.03882	0.7
95.04869	0.6
95.48019	0.4
97.06438	0.7
109.06526	0.5
110.05969	1.1
111.08086	2.0
111.08706	0.4
122.06011	1.1
123.00806	0.7
136.07579	1.7
141.09102	0.6
165.12759	31.8
166.13121	1.8
171.10219	0.7
183.13828	100.0
184.14137	4.0
185.12836	0.4
196.09691	1.0
208.25737	0.4
209.11772	5.1
214.12206	0.9
219.04895	0.6
221.04274	0.5
227.12839	42.4
228.13187	1.8
229.09804	0.6
230.11882	0.6
241.09642	0.5
242.10573	1.1
257.12918	8.0
300.99777	1.5
301.11456	0.9
301.16571	21.2
301.20184	8.0
302.17026	0.9
302.20444	0.8
309.38251	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	10.1
60.18415	2.4
65.24762	2.3
69.03300	2.9
69.62989	18.1
71.01254	8.9
73.02833	4.2
73.89544	2.4
77.78838	2.4
77.90507	2.3
78.95778	3.2
83.04899	8.4
87.00746	2.8
93.03364	4.7
95.04913	5.1
97.06422	2.9
99.04399	3.7
109.06512	3.1
137.02301	2.6
161.05527	2.8
163.11130	3.1
165.12801	4.0
171.10208	9.3
177.12651	3.7
181.12244	3.7
185.11787	42.1
186.12280	3.0
197.11780	14.4
201.11255	8.0
203.14311	16.8
207.13794	14.7
209.11775	100.0
210.12099	6.0
211.13333	8.1
217.07213	2.8
219.13858	11.1
221.11694	14.7
223.13371	3.4
227.12793	10.7
229.12228	11.4
229.14296	2.6
230.59399	2.6
235.13281	3.7
239.12892	26.3
241.14261	2.8
247.13376	34.2
257.13904	45.4
265.14450	42.7
266.14847	3.3
297.33197	2.7
301.03546	3.8
301.14029	14.6
301.16580	25.8
301.20313	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	301.1598
Annotation	2,4-Bis(1-phenylethyl)phenol
Peak:m/z	Relative Intensity
64.55764	0.5
71.57419	0.9
100.14695	0.6
123.00751	1.7
138.03098	0.7
139.03925	1.3
139.79129	0.7
161.06372	0.7
217.07198	3.5
222.97719	0.5
225.99493	0.6
229.22675	0.6
240.07118	0.5
266.29739	0.5
285.13373	1.0
286.13568	1.7
299.14511	1.0
300.99863	2.1
301.15979	100.0
302.16272	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	301.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66225	0.2
57.03298	1.1
59.01247	1.7
60.25255	0.2
61.02502	0.2
61.75517	0.3
62.03916	0.2
69.53357	2.2
69.93773	0.3
71.01250	0.3
71.04883	0.3
71.16810	0.2
83.04882	0.7
89.02308	0.7
89.91670	0.3
91.03860	1.1
93.03259	0.3
97.06455	0.6
111.08034	1.6
115.42235	0.2
126.03447	0.2
137.09575	0.3
163.11194	1.0
165.12767	29.6
166.13095	1.7
183.13832	100.0
184.14162	5.3
191.10695	0.4
209.11784	9.9
210.12108	0.6
227.12843	37.2
228.13197	2.2
301.16623	17.5
301.20184	2.4
302.16916	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	2.0
58.00461	1.0
59.01247	5.2
69.03320	1.8
70.72048	0.7
70.72381	1.2
71.01256	20.4
71.04891	4.1
72.99160	0.7
83.04903	1.8
87.00738	1.5
89.02278	0.6
93.03358	0.9
95.50452	0.6
98.20094	0.7
99.04385	0.9
99.07428	0.6
99.08033	2.7
109.06467	0.8
111.04425	1.0
111.08058	8.9
120.68189	0.6
123.00820	0.7
125.09605	1.2
127.11157	1.7
129.09096	1.1
133.10065	0.6
153.33089	0.6
157.36673	0.6
165.12767	3.7
167.14302	1.0
171.08737	1.3
171.10184	18.4
172.10445	0.8
181.12332	0.7
183.13841	8.7
184.14221	0.6
193.12296	2.0
199.02264	1.2
209.11787	1.4
211.13336	100.0
212.13696	4.5
212.75615	0.6
213.14905	3.4
222.72879	0.6
223.13385	0.9
227.12965	0.7
229.14430	6.4
235.13367	0.7
237.18695	3.1
241.14397	13.8
241.16708	1.1
242.14726	0.8
247.13263	0.9
253.14388	1.3
255.06639	0.7
255.15962	3.6
257.12946	1.1
265.14404	2.8
265.18054	1.0
271.15582	0.8
283.15494	1.4
283.19009	1.5
297.03079	0.8
300.99948	1.1
301.13138	7.1
301.20193	71.7
302.20505	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	301.1082
Annotation	Sequirin C
Peak:m/z	Relative Intensity
59.01239	0.8
70.94338	0.5
70.94674	0.6
93.03335	18.6
94.03660	0.5
103.05382	0.4
108.02054	0.3
117.03324	0.4
119.04914	5.9
121.02840	0.8
131.04895	1.3
133.02803	0.4
134.03622	1.6
135.04388	1.0
145.02731	0.3
145.06519	0.8
146.03716	0.3
147.04425	1.4
151.00224	0.3
155.27071	0.3
156.85506	0.3
159.04402	1.1
160.05145	0.6
163.62436	0.3
182.07355	0.6
183.07983	0.4
193.06453	0.4
195.08118	0.6
207.08043	0.8
208.05226	0.5
209.06015	3.9
209.11690	0.7
210.06807	7.0
211.07439	1.2
223.07591	7.1
224.08357	4.0
225.09175	11.5
226.09537	0.8
230.23917	0.3
234.06966	0.4
235.07640	0.8
236.08231	0.4
241.08583	1.7
252.07921	1.7
253.08676	100.0
254.09026	7.2
256.07373	0.5
283.09766	1.2
300.14212	0.3
301.10800	6.0
301.16345	0.5
302.11130	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1447
Annotation	Enterodiol
Peak:m/z	Relative Intensity
52.33872	0.3
59.01274	0.6
60.01867	0.3
62.43856	0.3
69.61244	0.4
69.61565	2.3
123.00700	0.6
129.73665	0.3
131.87553	0.3
141.98195	0.4
158.03593	0.3
162.44997	0.3
172.05208	24.2
173.05617	1.0
185.02205	0.4
185.05988	1.9
187.03946	2.6
188.04356	0.4
198.91504	0.3
204.04213	6.1
239.14412	0.9
255.13948	1.0
257.15457	3.9
265.12289	0.6
283.13388	100.0
284.13742	7.0
300.99896	1.3
301.14432	82.8
302.14764	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	301.1594
Annotation	2,4-Bis(1-phenylethyl)phenol
Peak:m/z	Relative Intensity
56.04585	0.9
59.01256	1.1
59.09771	1.1
65.24338	1.1
69.88535	4.5
86.59505	0.9
88.82582	1.1
98.19800	2.2
107.01257	1.3
121.02919	1.5
123.00794	1.4
125.56602	0.9
134.99347	2.4
151.00293	3.6
160.57167	1.0
161.06293	2.0
178.99774	1.1
203.05511	1.2
217.07167	26.2
218.07240	1.7
271.11356	10.1
272.11636	1.4
285.13492	13.1
286.13644	39.2
287.13885	3.2
301.00085	2.4
301.03482	5.0
301.16110	100.0
302.16415	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	299.2593
Annotation	(R)-10-Hydroxystearate
Peak:m/z	Relative Intensity
53.67058	1.9
56.80248	1.6
59.01253	100.0
70.23051	7.7
86.04653	1.5
94.86927	1.5
107.05370	1.9
118.03229	1.9
123.15607	1.8
131.26323	1.8
136.25987	1.8
142.96289	2.0
168.13403	1.8
299.14960	3.4
299.25906	38.3
300.26581	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0928
Annotation	1-beta-D-Glucopyranosyloxy-3-methoxy-5-hydroxybenzene
Peak:m/z	Relative Intensity
53.83405	0.3
56.49853	0.3
56.89701	0.3
64.75637	0.3
65.00194	0.3
70.87296	0.9
93.03329	6.3
113.15599	0.3
121.01044	0.3
121.02838	10.3
123.00737	0.3
132.70168	0.3
137.02350	1.4
139.03903	100.0
140.04253	2.4
165.01779	0.7
228.59224	0.4
232.92590	0.3
243.51184	0.3
262.92282	0.3
301.09094	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	301.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	5.4
69.44132	18.7
71.01249	4.7
71.56165	3.0
77.03134	2.4
78.77496	2.8
85.02807	3.9
93.03349	3.5
96.95907	3.0
107.01219	3.5
109.02819	3.3
116.07038	4.5
121.02841	5.3
122.03575	2.6
123.00791	2.7
129.70468	2.5
136.03862	4.2
136.07547	4.2
145.02803	2.7
149.02353	11.2
150.03148	14.4
151.00230	5.1
153.12759	2.9
159.04468	3.0
164.04715	3.4
165.04132	4.5
165.05443	27.6
178.99817	2.7
183.04482	3.7
185.06059	3.0
187.03870	6.3
195.04367	5.7
197.05989	8.6
209.06131	2.6
209.11812	7.3
211.03931	4.8
211.08719	3.5
212.04730	9.8
213.05495	9.0
217.07135	3.6
224.04773	4.2
225.05519	41.5
227.07085	7.7
227.12946	70.1
236.04860	3.8
237.05586	3.1
240.04257	44.8
240.07953	10.3
241.04965	14.2
241.08691	3.2
245.04497	4.4
253.05048	41.1
254.05470	3.8
255.06604	100.0
256.07089	13.8
257.12909	19.1
265.14359	3.1
267.06595	3.0
268.07407	24.3
270.08978	76.3
271.06155	18.3
271.09720	37.1
273.04166	3.5
283.09677	8.1
286.08426	18.2
300.99814	10.0
301.03384	8.2
301.10828	47.3
301.16379	6.4
302.11221	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37490	9.5
75.10081	1.1
75.67051	1.0
93.03345	14.7
96.00770	1.6
98.19849	2.0
119.04906	4.9
121.02850	1.4
147.04306	2.5
159.04439	1.4
186.11284	1.3
207.08176	2.3
209.06053	1.8
210.06804	5.6
223.07582	7.6
224.08418	3.2
225.09149	10.8
241.08887	2.2
252.07979	1.7
253.08682	100.0
254.09076	5.5
283.09729	1.9
301.10818	10.2
301.16565	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	299.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.0
62.27240	0.2
62.41844	0.2
70.22959	0.9
70.80267	0.2
85.14218	0.2
89.33822	0.2
162.24771	0.2
168.08545	0.2
174.99106	0.2
217.00215	0.7
270.94641	0.2
278.63907	0.2
279.77353	0.2
295.96851	0.2
299.20132	100.0
300.20468	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	299.259
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
59.01255	5.4
71.01287	0.7
71.57806	0.6
163.83841	0.7
174.99168	1.1
217.00291	3.5
253.25307	2.9
271.07739	0.6
281.24783	1.9
297.24536	1.0
299.01886	1.1
299.25903	100.0
300.26236	7.6
303.33759	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.7
70.91263	0.5
76.71955	0.2
81.56635	0.2
124.34325	0.2
125.09586	0.8
127.11169	2.0
137.14192	0.2
141.12840	0.3
144.65556	0.2
153.12671	0.4
155.14316	2.1
169.15898	0.3
217.00291	0.5
253.25345	2.4
281.24860	2.0
284.03433	0.4
297.24368	1.2
299.02048	0.4
299.25906	100.0
300.20709	0.3
300.26251	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	299.2592
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
51.45123	1.1
56.31873	1.0
57.14627	1.1
59.01255	5.5
59.44777	1.0
60.15064	1.0
61.47620	1.0
74.02356	1.6
98.20573	2.3
125.09601	1.2
138.05515	1.2
155.14284	1.5
168.78528	1.1
174.99283	1.3
217.00258	3.4
231.51904	1.1
253.25444	1.3
281.25110	1.1
286.91959	1.2
297.24197	1.7
299.02060	3.2
299.05399	1.2
299.20691	13.6
299.25909	100.0
300.20602	1.4
300.26233	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	299.165
Annotation	4-Androsten-3,17-dione 19-aldehyde
Peak:m/z	Relative Intensity
59.01251	0.5
66.69767	0.2
69.55151	1.5
69.55555	0.4
117.03334	11.7
118.04134	0.5
119.04904	3.6
120.05250	0.3
121.02859	3.4
123.04397	1.0
133.02827	0.7
145.02844	64.7
146.03171	2.3
162.03140	1.4
163.03899	1.9
168.36574	0.2
173.13528	0.3
212.88785	0.3
217.00156	0.5
269.93002	0.2
299.16501	100.0
300.16833	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	299.1864
Annotation	Achaetolide
Peak:m/z	Relative Intensity
50.17076	0.5
57.03316	2.3
59.01255	4.6
61.98686	0.5
62.18342	0.6
64.85137	0.5
69.03326	2.3
71.01255	1.8
71.04891	1.1
71.92487	0.6
81.03341	0.6
83.04892	2.2
84.02044	0.9
85.02827	6.4
87.00756	41.1
93.03310	1.1
95.04924	2.6
97.02813	1.0
97.06468	10.5
98.20288	4.3
99.08035	3.8
100.63354	0.6
101.02325	0.5
109.06442	1.2
110.03596	0.9
111.04443	0.6
111.07999	0.5
113.54957	0.6
116.92702	0.6
121.06490	1.0
125.05947	1.0
125.09589	0.8
127.11226	1.7
135.08041	0.9
137.02394	0.9
137.09605	3.1
138.00591	0.5
139.07530	0.8
139.11201	4.3
143.07040	8.9
145.92114	0.5
147.08043	0.6
149.09673	2.9
151.07585	0.6
155.10704	6.7
158.40988	0.5
165.09103	2.3
167.10693	0.9
169.08626	0.7
171.10167	1.0
174.94968	0.5
175.07585	0.7
181.08612	1.7
183.08601	1.1
183.10202	18.7
183.13812	0.9
184.10451	0.6
193.08653	2.4
201.11278	11.7
211.09799	1.0
211.13341	8.1
212.13554	0.5
219.17509	0.8
225.11145	1.0
226.49066	0.6
229.14403	0.9
229.47618	0.7
263.16608	3.8
281.14011	1.1
281.17517	1.0
299.01962	0.9
299.09589	2.2
299.18631	100.0
300.18964	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	299.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24849	0.4
57.03335	3.0
59.01246	5.0
65.82351	0.4
66.85433	0.5
69.03333	1.8
70.94577	0.6
71.01240	1.7
71.04894	1.4
83.04895	1.9
85.02824	5.8
85.06438	0.8
87.00751	29.3
93.03333	0.5
95.04903	2.4
97.02831	1.0
97.06471	10.0
97.07088	0.8
98.06840	0.6
98.20558	1.2
99.08039	3.8
109.06468	1.3
111.08053	0.9
116.92722	0.5
121.06474	0.8
125.05961	1.8
127.07651	0.5
127.11183	2.1
135.08032	0.7
135.43169	0.5
137.02306	0.5
137.09627	3.4
139.07555	0.9
139.11191	4.5
140.50253	0.5
143.07040	9.9
147.08119	0.7
149.09615	4.4
151.11243	0.5
155.10687	8.5
157.08624	1.9
165.09106	2.0
167.10706	0.7
171.10129	1.4
181.08615	1.8
183.10191	21.7
183.11821	1.1
183.13776	0.7
184.10455	1.2
193.08640	2.6
197.02727	1.0
197.11824	0.7
199.09673	0.8
201.11246	10.8
211.09917	1.2
211.13324	6.7
217.00223	1.4
219.17567	0.7
225.11377	0.8
229.14359	0.7
229.26784	0.6
237.14792	0.7
263.16513	3.8
270.23621	0.5
281.17578	1.8
299.09760	2.4
299.18628	100.0
300.18979	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	299.15
Annotation	Ficusolide diacetate
Peak:m/z	Relative Intensity
56.97896	0.9
59.01250	100.0
71.01263	2.6
71.52454	1.6
72.99190	1.6
74.98976	2.2
75.00743	1.0
89.02319	2.6
92.02479	0.7
93.03344	1.1
112.03959	1.9
113.02417	1.0
115.03861	0.8
119.03445	1.0
119.04934	1.2
124.03947	2.0
133.04941	9.7
137.02328	13.7
137.03275	0.8
138.05531	2.9
158.30522	0.7
183.71239	0.7
184.06049	6.1
221.11804	1.2
238.77109	0.8
239.12943	1.0
239.19144	0.8
247.89798	0.8
299.25894	1.1
305.34875	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58791	0.8
59.01254	6.4
62.03405	0.8
71.01255	1.5
83.04873	1.1
93.03338	7.9
95.04935	0.9
97.02809	1.2
106.04108	2.5
107.04935	2.1
108.02052	2.4
109.02831	2.0
109.06501	1.0
113.94881	0.8
115.05423	1.2
119.04913	1.4
121.02831	5.0
122.03587	2.5
123.00739	1.8
123.04422	5.4
124.01527	2.3
131.04880	2.5
133.06465	1.4
134.03595	2.3
136.01640	1.0
137.02325	4.8
143.04935	6.0
145.02820	2.2
145.06511	16.8
147.04414	11.5
148.05074	0.8
149.02316	3.0
149.06033	1.2
150.03131	22.1
151.03606	1.0
158.02461	1.2
158.03662	14.6
159.04430	45.3
160.05220	100.0
161.05997	38.4
162.03084	0.9
162.06310	2.5
163.03917	19.8
163.07565	1.7
164.04713	12.1
171.10109	1.1
173.05995	11.2
174.99240	0.9
175.07571	79.8
176.04573	1.9
176.07875	4.3
177.05486	15.4
178.06268	9.5
183.07971	0.9
186.69705	0.9
193.06538	2.8
193.08611	7.0
195.08084	0.9
201.11267	1.2
207.10172	1.5
211.07635	5.1
217.00218	2.6
221.06010	5.8
221.11894	1.0
222.06790	4.3
223.07532	2.6
223.13240	0.9
225.11295	3.3
237.09229	3.8
237.14838	2.5
239.07036	1.7
240.07887	38.6
241.08200	2.9
251.09654	0.9
255.06544	2.4
255.16034	1.1
263.12839	1.8
268.10986	0.9
269.10941	4.1
281.17471	1.1
299.05579	2.9
299.12823	81.5
299.18558	5.4
299.25623	1.1
300.13229	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	299.1288
Annotation	alpha,alpha'-Diethyl-3,4,3',4'-stilbenetetraol
Peak:m/z	Relative Intensity
57.03316	0.5
59.01250	4.2
71.57415	0.7
75.00738	1.0
87.58442	0.5
93.03324	0.9
95.04897	0.7
97.06435	0.5
102.19175	0.4
106.04138	1.0
107.04925	0.5
108.02074	0.5
117.03381	0.4
121.02834	0.4
121.06429	0.8
123.07999	0.6
131.04895	0.4
146.03719	0.4
151.07556	7.1
159.98042	0.4
169.08589	0.6
171.10199	0.6
174.99182	0.7
179.72847	0.4
185.11781	0.9
197.11624	0.7
202.56348	0.4
205.06482	0.8
207.10231	0.6
211.07584	0.7
217.00247	2.5
218.07320	3.8
219.08017	1.3
221.05963	0.9
225.11246	0.8
231.08067	2.1
233.09709	1.8
236.08430	2.0
237.09085	0.4
237.14978	3.0
245.09654	0.9
249.09212	0.8
250.06310	3.0
250.09932	1.6
251.10727	0.9
253.12331	1.8
255.10275	0.4
261.09167	1.1
263.10764	11.6
264.11093	0.9
268.07449	2.2
281.11804	19.6
281.17084	0.8
282.12134	1.5
284.03433	0.4
295.09680	0.4
299.12857	100.0
299.18530	4.2
299.25879	1.1
300.13211	8.5
313.45737	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69467	0.8
59.01234	1.6
69.03358	0.9
70.41424	3.1
85.02853	1.0
87.00745	3.8
89.72255	1.0
91.88115	1.0
93.03336	11.0
94.03675	2.0
95.04885	1.0
97.06463	2.0
98.14638	1.3
107.04895	1.1
109.02824	1.7
109.06468	3.1
119.04884	1.0
120.05704	9.0
121.02842	2.0
122.03629	2.3
126.82201	1.0
130.04132	3.0
131.04494	2.2
134.03654	6.4
134.06732	0.9
135.04459	9.4
135.08035	2.7
137.02321	4.0
137.05977	2.8
145.06523	4.5
146.06824	4.4
147.07101	4.0
149.02299	2.2
152.04649	2.4
162.06393	1.5
164.08240	1.3
165.09128	100.0
166.09479	3.6
167.33783	0.9
173.06013	4.6
174.06320	4.4
175.06557	3.1
177.09023	1.3
183.10172	3.2
191.07083	1.6
192.07437	3.2
193.08664	93.9
194.08949	4.8
196.03616	1.4
196.07314	3.8
197.11728	1.2
201.11246	1.6
207.10233	2.8
211.13284	1.4
217.00259	2.0
223.07603	1.9
225.11235	2.8
239.07285	1.5
240.07776	1.0
251.07103	1.1
253.08727	1.5
253.11374	1.2
269.08157	3.4
269.11823	1.9
271.13330	4.5
281.08145	2.5
281.11212	2.1
299.09113	4.5
299.12714	3.8
299.15323	1.6
299.18439	10.8
300.18863	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.129
Annotation	alpha,alpha'-Diethyl-3,4,3',4'-stilbenetetraol
Peak:m/z	Relative Intensity
52.65010	1.4
53.38576	1.8
56.54165	1.6
58.55758	1.5
59.01262	13.1
68.99687	21.0
70.60767	1.4
71.01270	2.0
71.04874	2.9
71.57270	3.1
72.80643	1.5
76.70374	1.4
85.02817	2.7
87.00766	10.8
93.02777	2.2
93.03341	41.2
95.04890	1.7
97.02779	2.1
106.22335	1.5
107.04808	1.6
109.02794	2.1
109.06449	1.8
119.04886	3.7
120.40758	1.7
121.02824	3.0
123.08054	30.4
127.03910	1.7
131.04901	2.9
134.03618	2.4
137.02292	2.4
137.09570	3.8
147.04442	2.0
149.05917	4.8
151.07582	2.4
161.09599	2.1
169.06422	5.7
170.07201	3.0
171.10091	3.7
174.99158	3.2
181.06422	3.1
182.07324	1.8
183.08014	3.8
186.81967	1.8
197.09663	1.7
199.11128	6.5
203.29543	1.5
205.08577	6.5
205.39325	1.7
207.10173	9.8
209.05905	4.0
210.06825	27.9
211.07597	20.1
211.13277	6.0
212.08125	1.7
213.09128	16.6
217.00259	7.5
223.13481	1.6
225.09253	2.0
225.11232	10.0
227.10616	5.1
229.12321	57.0
229.14420	3.1
230.12486	3.3
236.55359	1.6
237.14919	4.5
239.07001	4.6
240.07872	17.3
241.08203	1.6
243.10143	6.6
255.07109	1.6
255.10056	8.0
257.11780	5.0
269.08246	1.6
269.11682	2.4
281.13898	2.0
281.17441	1.6
299.09222	5.4
299.12738	100.0
299.17859	14.8
299.25644	2.1
300.13092	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	299.0771
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
52.46260	0.4
59.01243	0.4
60.41253	0.4
61.88382	0.4
64.81670	0.4
69.85683	1.9
71.01242	1.8
73.02823	0.9
85.02814	1.0
90.99776	0.4
93.03333	61.2
94.03671	1.4
101.02341	0.9
113.02377	0.5
137.02338	100.0
138.02660	2.6
153.02994	0.4
297.78702	0.5
299.07788	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	6.1
65.03828	1.0
68.99673	1.6
69.56965	6.2
71.01260	1.0
78.95745	0.8
80.16507	0.8
83.04894	4.1
87.00731	1.3
93.03331	8.3
95.04917	1.5
97.02848	1.0
108.02010	0.9
109.06466	1.4
117.03326	1.2
121.02821	1.7
121.06501	1.1
123.08083	1.2
130.04132	1.0
143.04820	0.9
148.57494	0.9
151.07567	7.3
169.06454	0.9
171.10150	6.4
174.99141	1.3
205.06703	1.0
207.10159	2.4
209.05867	1.6
209.11586	0.7
209.15317	2.0
210.06830	2.0
211.07602	12.2
211.10420	1.2
212.07968	1.1
213.09219	0.9
217.00208	2.9
218.07281	3.4
219.08104	1.0
219.13919	1.1
225.11295	6.8
229.12263	2.1
231.08038	1.5
233.09657	1.1
236.08330	1.3
237.09386	0.9
237.14940	6.0
240.07732	1.5
249.09062	1.2
250.06277	3.5
250.09941	2.4
251.10703	1.7
253.05023	2.6
253.12381	1.2
255.06560	10.6
255.10101	1.5
255.15961	7.7
256.06979	1.0
261.09283	1.1
263.10736	14.6
263.13327	1.7
268.07346	1.3
281.04492	3.1
281.11819	23.4
281.17050	1.3
282.12241	2.2
284.03265	1.4
299.05875	10.2
299.12817	100.0
299.18542	5.8
299.25842	1.7
300.13153	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	299.077
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
50.92809	0.3
65.03838	0.3
71.01259	1.7
71.27907	0.4
72.97044	0.3
74.01007	0.3
77.38282	0.3
85.02817	0.8
93.03333	43.6
94.03681	1.2
95.07578	0.3
101.02328	0.7
102.65110	0.3
113.02341	0.6
137.02341	100.0
138.02687	3.1
138.05504	0.5
161.04445	0.5
299.07916	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0772
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
59.01240	0.9
59.49348	0.3
60.10020	0.2
65.03822	0.7
67.01764	0.6
71.01223	0.2
71.14218	0.2
71.14550	0.4
81.03301	0.2
89.02327	0.3
93.03345	0.6
95.03520	0.2
99.80927	0.2
101.52973	0.2
101.61625	0.2
102.01285	0.2
104.65228	0.2
108.02039	0.8
109.02836	6.1
110.03178	0.3
116.51534	0.2
122.03607	0.5
123.04406	1.0
137.02341	100.0
138.02658	3.4
149.02299	0.4
150.03131	0.5
151.03899	2.5
179.03404	1.3
184.06087	0.3
299.07724	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82119	0.3
70.19085	0.9
77.99312	0.3
83.04844	0.4
98.19868	0.3
106.65429	0.3
150.05359	0.3
183.01198	0.5
214.71129	0.3
249.22173	0.8
251.23782	28.9
252.24142	2.3
279.23203	1.5
279.77875	0.3
295.22974	0.5
297.24344	100.0
298.24670	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	299.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16475	0.3
59.01255	0.5
64.02733	0.3
65.03837	0.4
67.02259	0.3
69.08990	0.3
69.49731	2.5
71.01267	2.2
73.02825	0.7
75.70116	0.3
85.02837	1.0
93.03335	76.3
94.03654	1.8
98.20480	0.6
101.02335	0.7
103.65462	0.3
113.02322	0.7
137.02344	100.0
138.02676	3.8
138.05498	1.0
146.08351	0.3
169.07173	0.3
196.65320	0.3
208.93871	0.3
299.07739	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45609	0.5
57.03321	0.6
59.01239	3.2
70.15382	2.2
71.01253	1.5
71.04845	0.5
85.02814	0.8
89.02345	1.1
101.02313	1.0
105.74393	0.5
107.24666	0.5
113.02369	0.7
121.02843	0.9
135.06534	0.7
139.11176	1.3
143.06334	0.5
143.26039	0.5
149.00882	0.6
155.14340	0.9
167.14420	0.5
183.01112	5.8
184.01674	0.5
197.02736	0.7
199.13406	1.0
253.25266	1.9
279.23218	2.0
297.15298	11.9
297.24332	100.0
298.15570	1.1
298.24664	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	297.2435
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
59.01237	1.6
70.18899	3.5
93.05186	0.9
102.89217	0.8
121.02856	3.1
123.42723	0.9
149.05994	1.0
183.01195	4.3
237.05873	0.8
251.23787	24.3
252.24165	1.9
260.71387	0.8
279.23355	1.1
297.15405	6.8
297.24356	100.0
298.24655	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	297.2435
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
58.56397	0.7
59.01240	2.6
71.01278	1.0
71.06667	2.0
89.02303	2.4
92.58995	0.7
98.19957	0.9
101.02304	1.2
103.07455	0.7
121.02855	6.9
183.01132	4.9
183.13837	32.4
184.14101	1.2
197.15335	0.9
279.23312	7.4
297.12131	1.3
297.15341	10.9
297.24344	100.0
298.15518	1.2
298.24606	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	297.2436
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
56.50819	0.6
56.74712	0.6
59.01259	5.0
64.05714	0.8
70.17313	1.8
70.17706	1.5
71.01259	1.4
75.68636	0.7
79.46697	0.6
83.04931	0.7
83.61890	0.6
84.50453	0.6
85.02808	1.1
89.02305	1.9
101.02316	1.4
121.02840	11.3
129.09232	0.7
157.08615	11.1
171.10233	1.1
183.01126	8.5
184.01778	0.8
279.23318	15.1
287.86502	0.8
295.22629	0.9
297.11920	1.9
297.15295	16.7
297.24353	100.0
298.15829	1.5
298.24658	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67025	0.5
53.69914	0.4
58.27879	0.6
59.01231	0.8
61.01990	0.5
69.32242	1.1
69.32642	4.2
139.11086	0.6
141.12741	1.5
155.10693	15.7
156.11040	0.7
250.62450	0.6
279.23318	15.3
280.23608	1.4
284.07483	0.6
295.22995	0.8
297.24344	100.0
298.24680	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	297.2433
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
50.81996	0.3
58.15813	0.3
59.01239	1.1
69.03879	0.3
70.24034	1.1
71.01301	0.4
75.67616	0.3
83.04908	0.4
83.27914	0.3
95.14400	0.3
138.28946	0.3
139.11200	0.5
141.12758	1.7
155.10672	14.3
156.11014	0.8
171.10149	0.5
183.01189	0.8
199.20674	0.3
261.22052	0.4
279.23267	12.0
280.23608	1.2
295.22821	0.9
297.15408	1.6
297.24326	100.0
298.24673	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.1
59.01255	2.7
70.17752	1.1
70.18172	1.7
71.01244	1.3
71.04894	1.6
73.08659	0.5
82.76665	0.5
85.06417	0.8
86.93232	0.5
89.02316	1.8
97.75607	0.5
98.19912	0.6
101.02342	1.2
102.52705	0.6
111.43667	0.5
111.52258	0.6
121.02853	9.0
135.06577	1.0
145.06494	0.7
150.37642	0.6
155.10736	0.7
169.92552	0.6
181.15941	1.1
183.01118	7.4
184.01788	0.7
279.23270	1.3
297.11707	1.5
297.15320	11.5
297.24350	100.0
298.15659	1.4
298.24689	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	297.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52660	0.6
57.03326	0.7
57.24625	0.5
57.47090	0.6
59.01248	4.0
69.13819	0.6
69.88574	3.8
70.01960	0.7
71.01255	1.4
77.70663	0.6
80.69540	0.6
88.98244	0.6
89.02332	1.9
103.44643	0.7
121.02848	5.8
144.90839	0.6
145.09946	0.6
155.10651	1.7
171.10185	2.1
183.01137	8.9
196.68306	0.6
229.79816	0.6
253.25444	1.1
269.24902	2.8
279.23294	5.7
297.11987	1.1
297.15353	12.6
297.24347	100.0
298.15646	1.4
298.24680	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2435
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
55.01715	0.3
57.03324	0.9
57.45072	0.3
59.01245	1.1
60.76503	0.3
71.01254	0.9
71.04882	0.7
71.05811	0.4
71.06119	0.5
79.95634	0.4
85.02802	0.4
89.02326	1.0
93.03366	0.4
101.02300	0.7
102.39323	0.3
107.81911	0.3
113.02361	0.5
119.03450	0.4
121.02846	5.5
122.03159	0.4
135.06491	0.5
174.48436	0.3
179.05447	0.3
183.01160	3.6
184.01697	0.5
195.17509	0.5
216.00932	0.5
223.20560	0.4
251.23781	0.6
279.23193	1.0
295.22900	1.3
297.11774	1.0
297.15332	9.0
297.24341	100.0
298.15524	1.1
298.24704	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	297.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52659	1.0
51.77974	1.0
57.03319	3.0
58.76982	0.9
59.01252	9.1
68.02412	4.0
69.02750	1.6
69.03325	2.1
70.32871	4.4
71.01262	3.6
83.04924	2.4
85.02816	1.3
89.02339	2.2
97.06488	1.3
99.08038	3.7
101.02299	2.7
110.45235	1.1
112.75569	1.0
113.09628	4.7
119.03405	1.2
121.02840	17.6
123.08039	1.3
127.07570	1.7
129.09116	14.9
135.06551	1.2
139.11169	2.6
141.09113	1.3
141.40860	0.9
143.07059	2.4
145.06526	1.2
153.12772	2.2
155.10681	4.1
161.04492	1.2
163.90836	1.0
167.10689	10.0
169.12225	5.5
179.10718	2.5
183.10211	10.9
185.11777	5.6
197.11775	34.1
217.19450	1.2
235.20662	1.5
251.20255	1.2
253.25470	1.3
258.14984	1.0
261.18530	2.1
279.19632	23.6
279.22504	1.7
280.20047	2.5
297.11703	4.0
297.15274	3.9
297.20761	100.0
297.24271	16.8
298.21173	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	297.2073
Annotation	4alpha-Hydroxy-5beta-acetoxy-epi-cubenol
Peak:m/z	Relative Intensity
57.03319	2.6
58.00488	0.7
59.01251	5.6
66.08769	0.7
69.03337	1.5
70.09772	0.8
70.15639	3.7
71.01247	2.2
83.04896	1.8
85.02757	0.9
89.02319	1.7
93.03332	2.2
97.02827	1.3
97.06473	1.4
98.19907	0.9
99.08023	3.6
102.02039	0.8
104.27384	0.8
111.08052	2.2
113.09604	5.8
115.07518	1.0
119.04895	1.0
121.02847	23.2
121.10083	1.0
127.07512	1.3
129.09102	4.7
130.04158	1.0
135.11661	0.9
139.11198	3.5
149.09595	1.1
151.11234	0.8
153.12773	1.1
155.10704	4.4
157.08606	5.9
162.06619	0.8
167.10693	5.2
169.12263	2.8
171.10112	1.0
173.93617	0.7
179.10728	3.1
181.12242	1.3
183.10202	9.2
185.11809	4.8
186.71735	0.7
197.11766	22.3
197.13544	1.4
198.12025	0.9
199.13254	1.6
211.13333	3.2
224.08063	0.8
233.15533	1.4
235.20657	2.1
251.20230	1.0
261.18619	1.6
279.19644	23.9
280.20078	2.6
297.11612	9.3
297.20740	100.0
297.24228	12.6
298.21109	7.6
298.24310	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	297.2071
Annotation	4alpha-Hydroxy-5beta-acetoxy-epi-cubenol
Peak:m/z	Relative Intensity
51.56393	0.8
57.03314	1.9
58.00460	1.5
58.12164	0.9
59.01250	11.5
69.03339	0.9
69.68430	1.3
69.68845	4.3
71.01250	5.8
79.95607	2.4
80.96391	1.2
83.04840	1.4
85.02827	1.1
85.06447	3.3
89.02306	4.8
93.03361	1.0
99.08015	5.3
101.02310	4.1
105.17999	0.9
109.06494	1.2
113.02299	1.9
115.07534	11.1
119.03333	1.9
121.02824	3.3
125.09627	1.0
132.04471	1.2
135.06541	1.8
161.04417	1.5
167.10744	1.2
169.12251	4.9
171.10202	2.1
179.05502	1.2
181.12245	8.1
183.13799	3.7
193.12265	2.8
197.02673	1.4
197.11783	14.9
198.12169	1.1
199.13341	7.3
211.04298	1.6
211.13333	28.9
212.13615	1.4
233.15462	2.6
239.07518	3.7
251.20108	0.9
253.09105	7.5
261.18610	2.2
267.10602	9.0
272.07297	1.3
279.16483	1.3
279.19647	25.8
280.00616	0.8
280.20001	2.5
281.12222	2.0
297.12112	8.3
297.15244	76.4
297.20700	100.0
297.24188	9.8
298.15903	4.3
298.21045	6.9
298.24255	1.4
300.10483	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	297.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96264	0.9
59.01238	6.3
69.52654	7.1
71.01263	3.4
85.02832	1.2
89.02315	3.8
93.03342	2.1
97.06488	1.7
101.02331	1.8
102.50504	1.1
113.09615	2.6
115.07520	2.0
119.04910	1.0
121.02843	27.3
122.03230	1.5
128.75169	1.0
133.06480	1.0
133.28896	1.0
134.03664	1.0
135.60297	1.1
149.00827	1.2
149.06100	1.3
153.12782	3.1
163.48972	1.1
169.12283	2.8
181.12268	11.6
183.01167	2.9
197.02705	29.9
197.11852	1.8
198.03444	3.3
198.80946	1.2
199.13377	1.4
211.04308	1.4
214.98633	1.0
228.13556	1.9
228.68692	1.1
230.02483	5.8
251.19994	1.5
261.18478	1.3
279.19592	11.8
297.08368	1.5
297.11838	4.4
297.15356	76.8
297.20792	100.0
297.24335	17.8
298.12454	1.0
298.15683	5.8
298.21075	8.0
298.24362	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	297.1708
Annotation	Tetranor-PGD1
Peak:m/z	Relative Intensity
52.71368	3.5
57.03328	3.8
59.01251	53.7
69.03334	28.6
71.01250	16.9
71.04890	6.2
71.57494	6.4
73.02831	9.7
85.02816	4.1
85.88774	3.3
86.16243	3.1
87.25204	3.3
89.02332	7.8
90.47420	3.1
93.03333	7.7
97.06442	9.9
99.04415	6.4
99.08032	4.1
101.02275	5.0
111.08024	6.3
113.02330	38.4
113.09620	6.0
115.03913	36.1
121.02850	71.7
121.06461	4.1
125.05958	9.3
127.11174	14.3
131.04951	10.3
137.09567	4.4
145.06500	5.2
149.05988	18.2
150.06645	4.4
151.07513	3.9
153.12793	8.5
155.10748	3.3
161.57889	3.6
162.92543	4.0
164.08336	24.0
165.12770	65.3
173.06009	5.7
178.09859	9.1
179.10687	11.2
179.14334	4.1
181.12296	8.6
187.09721	38.7
192.11453	4.4
207.13931	8.8
217.15967	7.9
222.08974	5.6
223.13330	12.9
235.16980	39.3
261.14841	4.7
279.16000	100.0
279.19025	3.7
279.22653	3.9
280.16354	7.6
297.11365	14.4
297.17133	18.0
297.20700	69.5
297.24286	45.7
298.21017	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	297.2071
Annotation	4alpha-Hydroxy-5beta-acetoxy-epi-cubenol
Peak:m/z	Relative Intensity
57.96264	0.9
59.01238	6.3
69.52654	7.1
71.01263	3.4
85.02832	1.2
89.02315	3.8
93.03342	2.1
97.06488	1.7
101.02331	1.8
102.50504	1.1
113.09615	2.6
115.07520	2.0
119.04910	1.0
121.02843	27.3
122.03230	1.5
128.75169	1.0
133.06480	1.0
133.28896	1.0
134.03664	1.0
135.60297	1.1
149.00827	1.2
149.06100	1.3
153.12782	3.1
163.48972	1.1
169.12283	2.8
181.12268	11.6
183.01167	2.9
197.02705	29.9
197.11852	1.8
198.03444	3.3
198.80946	1.2
199.13377	1.4
211.04308	1.4
214.98633	1.0
228.13556	1.9
228.68692	1.1
230.02483	5.8
251.19994	1.5
261.18478	1.3
279.19592	11.8
297.08368	1.5
297.11838	4.4
297.15356	76.8
297.20792	100.0
297.24335	17.8
298.12454	1.0
298.15683	5.8
298.21075	8.0
298.24362	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	297.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
68.93096	0.3
69.94283	1.0
69.94686	0.4
79.95561	1.3
85.02312	0.2
91.37662	0.3
98.19850	0.2
106.13790	0.2
119.04939	1.3
119.80383	0.3
170.00337	1.1
183.01135	53.8
184.01747	2.9
188.97908	0.3
197.02786	0.8
198.03474	0.3
211.04253	0.4
212.05101	0.6
216.00945	0.9
225.05782	0.7
233.19025	0.3
239.07423	0.6
244.04082	0.4
253.09306	0.4
297.15277	100.0
298.15591	6.8
298.18747	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73799	0.4
67.89631	0.3
70.22551	0.3
70.33537	1.1
70.37096	0.3
79.95648	1.0
82.05035	0.3
89.93238	0.3
170.00302	0.5
179.89987	0.3
183.01137	19.7
184.01866	2.9
197.02707	27.4
198.03473	6.5
199.03813	0.4
211.04227	0.6
216.00914	1.0
216.45279	0.3
218.35878	0.3
230.02477	4.5
242.22652	0.3
244.04094	0.4
253.09283	0.3
295.12201	0.3
297.15289	100.0
298.15637	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	297.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.3
69.47290	2.5
71.01261	0.7
78.46349	0.3
79.95562	1.4
82.57858	0.2
85.02827	0.4
89.02317	0.4
98.20475	0.6
101.02308	0.3
106.04185	0.4
119.04915	1.3
121.02846	4.1
145.06458	0.3
166.50200	0.3
170.00330	1.0
183.01140	53.0
184.01624	3.5
185.22578	0.3
187.71239	0.3
197.01042	0.3
197.02737	3.6
198.03474	1.1
211.04185	0.3
216.00917	1.7
225.05867	0.6
230.02547	0.9
233.19160	0.4
239.07489	0.3
255.78349	0.3
297.15289	100.0
297.24274	3.5
298.15607	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	297.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11618	0.5
57.03320	1.0
57.58167	0.5
59.01253	11.0
64.78015	0.5
69.03331	3.2
70.58425	1.8
71.01252	4.6
71.04897	1.8
83.04878	1.1
85.02827	1.2
89.02315	4.5
91.03891	0.7
93.03362	2.6
95.04907	0.6
96.46385	0.6
96.61391	0.5
97.06435	1.2
101.02296	2.7
109.06492	0.6
113.02320	2.0
117.03320	1.1
119.03393	1.6
121.02854	2.7
130.04160	2.8
131.04933	11.3
131.05847	0.6
132.04414	0.8
135.06531	1.7
149.05981	13.0
149.09584	1.6
150.06281	0.6
153.09061	0.7
161.04469	1.2
161.13206	0.9
167.10695	4.8
177.12695	0.7
179.05608	0.9
179.10684	2.0
179.14334	4.0
195.13857	10.1
205.12247	10.8
211.09702	2.2
219.74078	0.6
221.10037	0.6
223.13344	100.0
224.13673	7.0
235.17007	1.8
237.09644	0.7
251.16287	0.8
253.18047	0.6
272.71790	0.6
273.08167	0.5
279.10321	1.9
297.11798	5.8
297.17545	4.4
297.20746	2.6
297.24118	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	297.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60851	0.5
59.51947	0.6
65.03813	0.6
67.52130	0.6
70.45530	2.7
93.03343	5.2
103.05419	1.2
110.73367	0.5
115.69452	0.6
117.03329	0.9
121.02847	22.0
130.04146	5.0
131.04926	19.5
132.05283	1.1
145.06502	3.3
149.05998	6.1
160.05157	0.8
161.06029	1.6
173.05992	1.8
187.42712	0.7
191.07103	2.1
207.13873	2.2
209.09648	2.6
215.08595	1.3
223.13426	1.2
229.14407	1.3
231.08121	3.1
233.09634	1.8
235.07458	0.8
237.09218	2.7
241.06458	1.3
242.07352	8.6
243.08119	22.1
244.08434	1.8
249.09157	1.8
252.07866	1.4
259.07587	0.8
260.08401	0.7
261.09186	15.1
262.09515	1.2
263.07196	1.4
264.08057	0.8
265.08682	1.8
267.10260	4.7
269.11832	0.8
279.10233	13.0
280.10403	1.6
297.11313	100.0
297.24289	3.4
298.11627	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	297.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.8
60.23378	2.2
71.55994	2.9
71.56328	3.7
76.52262	2.5
80.38112	2.2
93.03336	55.3
94.50912	2.3
130.04144	50.4
131.04854	4.6
133.06480	12.3
134.03641	3.1
135.04404	8.8
143.04942	3.8
144.05704	8.2
145.06497	100.0
146.06845	3.4
161.05988	26.0
162.06682	11.9
163.07565	5.7
173.06003	93.8
174.06296	6.7
176.04712	5.4
191.07076	87.8
192.07317	3.7
194.05759	10.3
239.10793	2.5
251.10696	6.1
261.09460	3.5
267.10211	6.6
279.10175	27.4
297.11310	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	297.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	21.8
69.36071	16.4
69.36475	61.6
91.68202	6.8
98.19828	12.5
101.78418	8.1
106.04147	8.7
119.04929	27.9
121.02817	36.5
121.26859	6.8
128.01819	6.7
130.04182	8.7
131.04930	12.6
160.05182	18.8
161.06006	19.4
186.94275	7.0
190.10475	7.4
237.09276	11.2
249.09187	38.0
267.10248	100.0
268.10687	10.6
279.12473	10.1
297.08041	9.6
297.10828	35.1
297.24310	58.7
310.88110	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59561	1.4
57.03326	1.6
59.01256	4.6
65.03831	18.5
67.16653	1.5
69.58809	12.7
71.01256	1.9
76.16582	1.7
81.03336	12.8
83.04899	4.1
87.00724	2.2
93.03336	12.5
97.06462	4.1
98.19846	3.6
103.05384	2.0
107.04893	2.6
119.04952	3.3
121.02853	33.0
123.08021	1.8
124.04052	1.5
125.09614	28.1
130.04123	4.4
131.04907	15.8
138.03122	3.4
145.06516	2.8
147.04427	3.6
149.05986	23.2
171.10208	14.4
172.10545	1.9
181.15964	2.4
191.14339	8.8
207.13808	3.5
209.11804	15.3
209.15370	12.3
217.12242	8.0
223.09740	2.9
225.14912	100.0
226.15247	5.4
235.13364	64.4
236.13680	4.7
253.08539	2.1
261.11380	2.1
279.10013	2.7
279.12625	2.4
297.08081	3.6
297.10709	3.6
297.13837	17.2
297.24316	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	297.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	2.2
64.15829	0.9
70.96157	1.9
70.96529	2.0
75.31489	1.1
75.31919	0.8
87.00749	2.9
93.03329	3.7
106.04049	1.2
119.04896	2.2
121.02852	15.7
123.08119	1.5
130.04126	3.2
131.04028	1.3
131.04929	15.0
139.84239	1.0
145.06456	1.1
149.00848	0.9
149.05968	3.5
152.13821	1.1
152.99521	1.8
166.28412	0.8
175.99951	1.1
215.08641	1.2
217.16107	1.3
231.08101	3.1
233.09598	2.4
235.07619	3.4
238.06209	1.9
242.07396	7.4
243.08147	25.2
244.08272	1.2
249.09286	1.1
250.09911	1.1
253.08676	5.1
261.09192	12.5
261.15054	3.1
267.10059	1.3
279.10208	16.3
280.10721	1.9
282.08975	1.4
297.11298	100.0
297.24496	4.8
298.11581	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.2
57.07444	0.1
57.31603	0.1
59.01245	1.3
61.29090	0.1
62.33879	0.1
63.14080	0.1
69.03328	1.3
69.46936	1.0
71.01257	0.3
84.02048	0.2
85.02831	0.5
90.22001	0.1
93.03339	0.5
107.04890	0.2
108.02047	0.4
119.04910	1.5
121.02840	100.0
122.03168	2.6
132.05731	0.2
133.06470	0.5
134.03557	0.1
135.04384	0.2
143.04907	0.5
145.06503	1.5
147.04388	0.6
159.04436	0.2
161.05981	0.9
173.05960	0.5
187.91640	0.1
235.13332	0.2
237.09116	0.2
251.10800	0.8
297.11331	8.7
297.16907	0.3
297.24313	0.4
298.11697	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1133
Annotation	Enterolactone
Peak:m/z	Relative Intensity
52.69858	0.8
59.01249	1.6
65.94122	0.8
68.99687	1.7
70.76892	0.8
71.07104	1.8
71.07442	1.9
72.47223	0.9
77.72236	0.9
84.94402	0.8
93.03333	18.9
99.81101	0.8
103.05408	3.4
106.04099	2.1
108.02016	1.3
113.01151	0.8
117.03342	6.2
119.04910	3.1
121.02844	26.0
122.03217	1.5
130.04140	21.7
131.04926	91.2
132.05237	2.9
145.06483	4.5
146.03586	2.6
149.05988	100.0
150.06322	5.3
155.04880	3.0
161.06026	1.2
164.04637	2.9
173.05986	4.2
191.07050	1.7
193.06537	0.9
195.08069	1.1
195.13829	1.4
197.09636	4.0
205.12228	1.9
205.80650	1.0
207.08015	2.7
209.09660	15.8
210.06699	1.1
210.09991	1.5
211.07552	1.5
211.09586	1.4
223.07547	3.1
223.13351	11.7
227.10690	2.2
231.08022	1.3
233.09732	1.3
239.03403	2.4
239.10776	2.8
243.08156	1.5
249.09164	3.2
251.10730	1.2
261.09271	1.7
267.03040	4.8
267.10089	4.1
279.10257	18.4
280.10449	1.2
282.05383	11.7
297.07770	2.6
297.11285	30.6
297.21042	2.0
297.24283	5.3
298.11621	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	297.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03290	1.8
59.01257	8.3
64.30220	1.4
67.46481	1.4
68.99689	1.9
69.03339	1.7
71.01237	2.3
71.58232	1.9
78.84794	1.5
78.95776	4.4
80.20522	1.5
81.03311	1.8
93.03346	31.5
96.95905	1.4
97.02816	1.8
101.02281	2.1
103.05405	2.6
103.06068	1.4
104.78030	1.6
106.04126	3.6
108.02033	3.0
117.03345	4.5
118.81632	1.5
119.04878	2.5
121.02853	100.0
122.03149	3.1
128.13211	1.7
130.04153	20.1
131.04939	52.2
132.05222	2.1
133.06503	3.6
134.03633	2.7
136.01500	2.7
143.04874	5.7
144.33646	1.7
144.57854	1.4
145.05455	2.5
145.06503	28.4
146.03612	2.7
147.04399	3.5
149.05994	50.6
150.06323	1.9
151.78030	1.6
152.99492	4.0
154.60321	1.5
160.05180	4.3
161.05917	4.1
167.04880	1.7
173.05997	9.8
183.04369	1.6
191.07141	11.8
194.05753	2.0
194.07259	1.8
195.04553	2.2
197.09593	4.6
207.08057	2.0
209.09718	15.3
210.06648	2.2
211.03905	2.1
223.07562	6.4
223.13382	9.6
227.10779	1.7
235.07632	3.3
236.08328	4.8
237.09184	28.0
238.09454	1.6
239.03503	7.9
242.07405	2.1
243.08041	7.0
248.08385	2.2
249.09085	5.2
250.09633	1.6
251.07059	3.6
252.07906	26.2
253.08475	4.4
261.09119	5.1
265.08679	19.1
267.02890	10.0
267.10300	30.6
269.11728	4.4
279.10284	13.2
282.05392	21.7
297.07565	8.4
297.11252	59.9
297.16931	4.2
297.20895	2.3
297.24304	18.8
298.11533	4.6
298.14523	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63569	0.3
54.26931	0.3
59.01256	0.8
69.03339	1.4
70.01346	0.3
70.72478	1.1
71.01282	0.4
73.43204	0.3
78.95782	0.4
85.02824	0.5
93.03350	1.2
99.04409	1.1
108.02066	0.4
119.04928	2.0
121.02850	100.0
122.03178	2.9
130.04147	0.4
131.04942	1.3
133.06487	0.6
143.04961	0.9
145.06500	1.2
145.47267	0.3
146.03635	2.3
147.04422	1.4
149.06021	0.6
158.11452	0.4
161.06018	0.5
170.61372	0.4
173.05948	0.5
223.09766	0.4
223.34662	0.4
249.09114	0.4
251.10727	0.7
255.96402	0.4
264.40152	0.4
267.09976	0.3
269.11905	0.4
277.91599	0.3
279.10251	2.6
297.07956	0.8
297.11273	12.1
297.16605	0.7
297.24411	2.9
298.11575	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	295.2276
Annotation	Moniliforminol A
Peak:m/z	Relative Intensity
57.03329	1.3
59.01253	6.8
71.01249	1.7
71.58012	2.6
75.84766	1.3
82.50242	1.3
87.34000	1.4
92.02494	1.3
105.38488	1.4
112.79693	1.6
209.15410	39.3
210.15791	1.7
223.17003	19.6
251.20288	1.5
277.21732	51.3
278.22180	5.4
281.10678	1.8
286.54034	1.8
295.22516	100.0
296.12909	2.6
296.22980	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	297.077
Annotation	6,8-dimethylisogenistein
Peak:m/z	Relative Intensity
51.93616	0.2
54.03775	0.2
59.01247	1.3
63.41395	0.2
65.03840	0.5
68.99680	0.3
69.43929	1.6
69.44342	0.5
71.01270	0.3
80.06873	0.2
83.04862	0.2
85.02837	0.4
89.02333	0.3
93.03340	100.0
94.03695	2.5
103.05415	0.3
106.04125	0.3
108.02045	0.4
116.66033	0.2
117.03353	0.5
119.04929	0.5
121.02847	11.2
122.03213	0.3
123.04373	0.3
125.09604	0.3
130.04155	1.6
131.04935	5.6
133.06470	0.3
145.06467	0.8
147.04373	0.3
149.05983	6.1
161.05974	0.3
173.06023	0.7
178.05444	0.2
191.07022	0.6
195.08026	0.3
197.09669	0.6
207.08104	0.3
209.09691	2.0
209.15520	0.2
223.07596	0.7
223.13374	0.3
233.06055	0.3
237.09195	0.4
238.06541	0.2
243.08144	0.5
249.09154	0.3
253.08682	0.3
261.09158	0.5
267.10153	0.8
269.11798	0.5
279.10269	1.6
279.15796	0.2
282.05292	0.2
297.07645	1.2
297.11157	6.1
297.17111	0.5
297.20651	0.8
297.24362	3.3
298.11545	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03313	0.8
59.01257	2.7
76.86234	0.3
98.20612	1.0
99.08015	0.4
108.81194	0.3
113.09602	3.1
177.12776	0.7
179.14302	1.0
181.12262	0.5
195.13844	21.9
196.14175	1.1
230.07727	0.6
277.21713	19.8
278.22049	1.7
295.22775	100.0
296.23117	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	295.2279
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03319	1.4
59.01250	3.1
60.00986	0.3
70.63993	0.9
71.01283	0.3
72.72015	0.3
83.04893	0.3
92.26063	0.2
95.58305	0.2
97.06443	0.7
109.06452	0.3
111.08053	0.4
113.09614	2.4
125.09602	0.4
135.08061	0.3
170.05756	0.5
171.10179	9.0
177.12810	0.4
179.14354	0.9
181.12233	0.4
189.78242	0.3
195.13840	16.5
196.14183	1.0
233.19101	0.7
237.17770	0.9
251.20134	0.4
277.18076	20.1
277.21661	24.5
278.18442	1.6
278.22028	2.2
295.19199	8.0
295.22745	100.0
296.19476	0.8
296.23041	8.2
311.06284	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04932	0.4
54.02987	0.4
59.01246	4.1
60.18075	0.4
61.83553	0.4
65.97062	0.4
66.00842	0.4
67.84926	0.4
68.02408	100.0
69.02130	7.9
69.02741	16.2
69.03312	0.4
69.82484	2.1
71.01243	0.9
71.04871	0.6
72.05231	0.4
80.15890	0.4
81.37068	0.3
87.00798	0.4
89.02335	0.4
101.02276	0.6
113.09602	0.7
119.03373	0.4
128.99184	2.2
129.99509	1.3
137.05965	0.4
151.07567	0.7
152.08211	0.6
153.08601	0.9
170.05789	1.7
171.10178	5.2
183.10229	1.3
195.13869	2.7
206.39749	0.4
213.84801	0.4
224.17358	0.5
225.17691	0.7
233.19121	0.6
235.17090	0.6
236.17387	1.7
237.17603	5.3
251.20198	1.5
275.20114	1.0
277.18124	31.8
277.21393	13.3
278.18497	2.4
278.21649	0.8
279.09094	1.1
295.19174	42.3
295.22559	39.7
296.19479	3.4
296.22946	2.1
300.92227	0.4
312.54578	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89849	0.4
57.03315	1.7
58.18221	0.4
84.51846	0.4
98.20570	0.9
104.86268	0.4
113.09602	4.7
179.14365	1.3
179.36839	0.4
181.12292	0.8
228.14594	0.4
295.22775	100.0
296.23129	7.9
298.06253	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45483	0.7
57.03305	0.9
59.01236	2.2
62.64880	0.7
66.00291	0.7
69.29710	5.1
69.30132	2.3
71.55540	0.7
73.57847	0.6
79.54446	0.7
125.09611	1.5
127.11206	0.7
141.12737	0.8
171.10188	37.4
172.10565	1.3
183.10184	0.7
195.13826	2.3
213.31859	0.6
251.23947	0.7
277.21732	49.3
278.22021	4.3
287.10254	0.8
293.21292	0.9
295.22781	100.0
296.23099	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	295.2277
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
52.60876	0.5
59.01250	0.8
63.23599	0.5
66.35297	0.4
68.02409	18.2
69.02111	1.4
69.02734	2.6
76.89525	0.5
127.11171	0.6
133.80568	0.4
140.82138	0.5
141.12747	9.7
155.14319	3.7
157.43073	0.5
220.95142	0.4
229.24742	0.6
249.22215	9.8
250.22502	0.8
266.23688	0.5
277.21738	0.8
282.75925	0.5
295.22772	100.0
295.97852	0.5
296.23126	6.5
296.83008	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55146	0.8
50.70343	0.7
57.03315	1.4
58.65768	0.7
59.01247	1.9
68.02414	0.9
70.93172	0.9
70.93552	2.2
71.01243	1.1
78.14555	0.8
85.13117	0.8
90.14853	0.8
98.95461	3.7
113.52324	0.8
120.66152	0.8
125.09605	2.8
133.75281	0.9
137.09532	1.0
145.85918	0.8
151.11201	1.1
155.14314	1.9
170.80783	0.8
171.10161	1.8
195.13925	1.3
203.19405	0.8
251.23720	2.5
277.21768	4.4
295.17441	2.4
295.22781	100.0
296.23178	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	295.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34889	0.6
53.28627	0.7
57.03329	1.3
59.01257	4.9
67.11302	0.7
69.63866	4.7
69.64259	1.3
71.01250	1.1
83.35165	0.7
96.95877	2.0
98.95478	9.5
98.96305	1.7
111.08038	3.2
127.11179	1.7
137.09579	0.6
152.99315	0.7
153.11607	0.8
155.14226	0.7
165.12787	1.0
171.10155	1.3
183.10266	0.7
195.13806	1.9
196.14255	0.9
213.18575	1.9
232.71176	0.9
251.23808	2.2
277.21646	3.6
295.17957	7.4
295.22772	100.0
296.23141	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.5
59.01252	9.2
69.40231	10.3
70.73838	1.1
71.01267	1.3
77.58072	1.0
86.36468	1.1
93.66703	1.1
96.95877	2.8
98.95479	9.5
98.96222	1.3
110.90821	1.1
125.09588	2.0
141.64322	1.0
146.05351	1.0
155.14252	1.2
158.95900	1.0
161.04465	1.8
162.34959	1.0
171.10184	39.9
172.10504	1.7
174.95506	1.3
183.10162	3.1
195.13744	2.9
251.20070	1.8
251.23892	1.6
265.33734	1.4
277.21741	48.0
278.22144	2.8
295.09775	3.4
295.17618	4.9
295.22775	100.0
296.23096	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34889	0.6
53.28627	0.7
57.03329	1.3
59.01257	4.9
67.11302	0.7
69.63866	4.7
69.64259	1.3
71.01250	1.1
83.35165	0.7
96.95877	2.0
98.95478	9.5
98.96305	1.7
111.08038	3.2
127.11179	1.7
137.09579	0.6
152.99315	0.7
153.11607	0.8
155.14226	0.7
165.12787	1.0
171.10155	1.3
183.10266	0.7
195.13806	1.9
196.14255	0.9
213.18575	1.9
232.71176	0.9
251.23808	2.2
277.21646	3.6
295.17957	7.4
295.22772	100.0
296.23141	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	3.3
59.39643	1.1
69.51642	2.1
69.52055	7.0
79.37976	1.3
86.62766	1.1
111.00428	1.3
113.09600	1.8
155.10713	1.7
171.10193	14.0
183.10225	14.6
195.13806	9.6
196.09264	1.2
277.21747	26.6
278.22000	2.2
295.22784	100.0
296.23126	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72771	0.6
57.03315	1.1
59.01239	2.7
68.02409	19.9
69.02109	1.7
69.02740	4.5
70.44874	2.2
73.31445	0.6
99.08019	0.6
113.09613	1.7
122.71442	0.5
128.99156	0.6
129.99371	0.5
138.41130	0.5
141.12744	1.5
156.67456	0.5
179.14294	0.7
183.13800	1.9
195.13840	14.7
212.94717	0.6
247.56931	0.5
251.23769	0.9
277.21729	14.0
278.22177	1.0
295.22775	100.0
296.23114	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1914
Annotation	5,6-Dihydrocineromycin B
Peak:m/z	Relative Intensity
56.67108	1.5
56.97895	1.4
57.03314	2.0
59.01258	13.1
69.03337	4.2
70.46241	5.8
71.01243	1.7
71.04891	10.9
73.02841	1.9
75.05340	1.3
83.04870	1.9
85.02863	1.9
85.06480	1.3
87.04390	2.5
93.03358	3.0
97.06490	4.0
107.33419	1.3
114.79263	1.4
129.09152	4.8
131.04918	6.5
135.94006	1.3
142.00682	1.6
147.04424	17.8
163.11263	1.6
163.87811	1.4
175.14842	1.9
181.12254	15.1
189.05586	2.2
191.12762	1.8
193.12340	4.1
193.15948	4.4
205.12460	1.6
207.13824	11.2
209.13666	3.1
209.15427	19.1
215.18127	3.8
215.26419	1.3
217.46516	1.5
219.13838	12.6
221.15443	2.6
236.08481	2.6
237.09282	8.4
237.14925	81.9
238.15121	7.0
259.17044	3.2
265.08801	6.1
277.08740	3.4
277.18137	21.8
278.18304	2.0
295.09915	3.8
295.19238	100.0
296.19553	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	295.1916
Annotation	5,6-Dihydrocineromycin B
Peak:m/z	Relative Intensity
57.03320	5.7
59.01251	10.3
70.17275	3.5
70.17689	2.7
71.01243	3.2
71.04533	1.5
71.04893	16.0
82.70883	1.2
83.04903	6.0
83.92712	1.2
89.62181	1.1
93.03337	7.9
93.06976	1.8
97.06439	3.8
98.19794	1.8
107.04894	3.7
109.06459	4.3
111.04346	2.9
111.07300	1.3
111.08048	20.0
116.06728	1.2
119.08496	1.8
121.10143	15.4
123.04398	1.7
123.08051	1.6
125.09614	2.6
127.11164	3.0
131.04926	2.7
137.09641	12.1
147.04431	7.0
147.08054	2.0
149.09622	1.2
157.08612	26.3
161.04465	1.9
161.48280	1.3
162.03073	1.6
171.08766	1.4
171.10194	20.3
183.10164	1.9
189.05403	2.1
195.10236	2.2
197.11794	1.4
209.11690	1.9
219.13776	1.6
221.11778	1.6
223.07468	1.5
223.13295	3.6
233.19002	2.9
236.08452	1.4
237.09254	3.2
237.14940	68.7
238.15280	3.6
249.09048	2.5
251.16563	1.6
259.17041	1.5
265.08557	4.0
277.08765	2.8
277.18088	100.0
278.18488	6.5
295.09787	11.5
295.15576	7.9
295.19086	66.5
295.22278	2.4
296.19351	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	20.9
60.01586	0.8
69.85649	2.3
71.01270	0.7
71.04887	0.5
72.57897	0.4
76.56814	0.5
78.96780	0.5
93.03310	0.5
134.03609	0.6
134.88559	0.4
147.04422	1.3
161.06026	0.6
162.03030	0.5
167.14319	0.7
183.13855	3.0
189.05518	0.7
195.13844	11.4
211.13315	1.4
213.14914	100.0
214.15236	5.1
233.11633	2.5
235.13153	5.5
237.09245	0.8
249.09256	0.5
253.12930	2.1
265.08847	0.8
277.08762	0.6
279.12149	3.4
295.09732	1.8
295.14777	8.5
295.19119	1.3
295.22467	2.3
296.14828	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1548
Annotation	LL-Z1271beta
Peak:m/z	Relative Intensity
54.82424	0.6
57.03310	0.7
58.26759	0.5
59.01254	5.5
68.02410	100.0
69.02125	7.9
69.02740	14.6
69.03316	1.4
69.30875	1.1
69.31275	4.6
71.01254	1.3
71.04914	0.8
77.91409	0.5
80.02563	1.5
81.03350	1.8
82.96543	0.6
83.04891	0.8
85.02840	0.7
89.02332	0.6
97.02831	2.4
101.05956	19.5
101.61922	0.5
108.02076	1.6
109.02837	11.1
111.08044	0.6
113.02339	1.5
125.02319	4.4
128.99171	1.4
129.99519	1.1
133.05016	0.8
136.01553	4.1
137.02348	6.1
137.09619	7.3
139.07573	1.0
142.02605	1.5
149.09602	4.2
151.07539	3.7
152.08165	0.7
153.08560	0.9
157.08615	0.6
161.73314	0.6
165.09122	13.0
166.09889	2.9
171.10234	1.3
179.07066	1.5
181.12309	1.7
183.10182	3.0
185.11757	0.6
193.07161	0.5
193.08629	34.5
194.09404	76.1
195.09801	3.9
195.13814	3.8
198.08932	1.1
207.13777	0.8
207.17516	1.3
209.08177	2.1
219.13730	0.9
220.07364	2.2
221.15602	0.9
223.17012	1.2
226.08493	1.1
233.15450	0.7
237.15019	0.8
238.08472	2.1
239.16365	0.7
251.16498	44.2
252.16916	2.7
277.14948	0.9
277.18066	6.9
295.10153	0.7
295.15567	15.0
295.19193	9.1
295.22708	2.3
295.25974	0.6
296.16110	1.1
296.19574	0.9
300.47064	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46296	1.0
59.01249	100.0
67.04234	1.1
68.02406	22.2
69.02736	3.3
70.71661	2.1
70.71988	1.6
71.01247	1.7
82.12363	1.0
88.74942	1.0
89.02319	1.3
101.02319	1.8
112.81915	1.0
117.75895	1.2
133.04947	2.3
153.27124	1.2
172.42932	1.1
194.88457	1.1
235.11835	4.0
295.10297	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	295.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.5
59.01250	18.8
68.02393	1.1
69.02764	0.4
69.35660	1.3
69.36090	2.0
71.01253	1.3
71.04889	0.4
73.02819	0.5
83.04908	0.6
85.02812	0.6
89.02313	0.4
97.06466	0.5
99.37022	0.4
99.92451	0.8
101.02337	1.1
107.56117	0.3
111.04342	0.6
111.08064	0.4
123.08084	0.4
133.04990	0.8
136.05179	0.5
157.08601	1.1
159.01437	0.4
161.04442	0.5
165.12651	0.3
171.10138	1.1
177.12769	0.5
181.12267	0.8
183.13829	16.4
184.14180	1.3
195.13838	14.9
196.14178	0.5
211.13358	0.8
213.14897	100.0
214.15247	4.0
223.13126	1.4
230.24690	0.4
235.13101	2.5
237.11079	0.5
237.14940	1.0
237.99924	0.3
251.16545	0.5
252.15971	0.3
253.12923	0.9
259.13528	1.6
267.12146	2.4
277.14511	2.1
277.18066	3.7
278.18146	0.5
279.12048	2.2
281.12540	0.5
283.13989	1.6
295.10251	0.8
295.14780	8.4
295.19171	4.0
295.22583	0.7
296.14490	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91423	1.5
58.00459	3.9
59.01248	100.0
59.28035	1.3
59.56515	1.2
68.02406	3.7
70.14452	4.3
70.14867	2.0
71.01250	55.0
72.99178	3.9
75.00734	6.2
83.01250	2.3
85.02808	10.1
87.00758	1.3
89.02312	72.7
95.01283	4.0
98.19880	2.1
99.50850	1.3
101.02321	37.7
106.18878	1.3
113.02333	24.7
115.03889	3.7
119.03387	25.5
124.79674	1.2
131.03401	2.5
133.04997	3.3
143.03471	2.0
149.04382	1.7
161.04471	3.8
179.05544	4.2
204.47989	1.4
212.88101	1.6
237.06161	1.9
295.10339	52.4
296.10715	4.6
304.24030	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	295.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.2
56.99704	0.2
57.03320	1.5
58.00469	4.2
59.01250	100.0
60.01585	0.9
60.99193	0.2
67.01773	0.2
68.02405	0.9
69.02074	0.2
69.02740	0.3
69.03317	0.2
69.74622	0.7
69.75046	0.6
71.01252	52.5
71.04879	0.4
72.01595	0.7
72.99177	4.8
72.99569	0.3
73.02811	1.2
75.00743	8.4
83.01271	2.2
84.02050	0.3
85.02396	0.1
85.02821	9.8
87.00753	2.4
89.02315	63.2
90.02673	0.5
95.01257	3.8
99.00764	0.6
101.02320	29.5
102.02657	0.6
104.34939	0.2
105.23442	0.2
113.02328	20.0
114.02687	0.4
115.03893	2.5
117.01772	0.3
119.03386	30.2
120.03735	0.6
125.02319	0.4
131.03398	2.5
133.04948	1.9
143.03398	3.7
149.04469	2.0
161.04469	3.1
179.05518	6.0
237.06116	4.3
238.06343	0.2
295.10321	81.9
296.10681	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.5
55.85176	0.7
57.03322	1.8
57.29669	0.7
58.00469	4.7
59.01249	100.0
60.01595	1.1
68.02407	12.0
69.02082	0.8
69.02746	2.2
70.44230	2.2
71.01251	54.6
72.99185	5.5
73.02843	0.9
75.00759	1.0
83.01266	2.6
84.02096	0.7
85.02817	11.6
87.00749	2.4
89.02313	68.4
95.01247	3.5
101.02318	34.0
108.02100	1.5
113.02329	21.0
115.03908	2.0
119.03385	29.5
123.04419	0.8
125.02343	0.8
127.05006	2.0
128.03439	1.5
131.03398	2.2
133.04962	2.3
143.03413	3.4
145.06123	2.3
149.04440	1.8
157.86780	0.8
161.04515	2.2
164.03438	5.0
166.05090	0.7
178.05034	2.0
179.05547	6.1
207.06642	0.8
208.07643	3.8
229.39508	0.8
236.07962	2.0
295.10330	69.7
296.10715	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	44.3
60.06746	9.2
70.28560	33.9
71.01259	13.9
72.99174	9.6
73.37415	8.4
77.40806	8.8
86.59119	9.3
133.04971	100.0
134.04599	55.1
159.67274	10.1
166.54274	9.3
182.49164	10.1
231.80988	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	295.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76647	1.0
55.01753	1.7
57.03314	1.3
58.00462	4.2
59.01250	100.0
67.49045	1.3
68.02403	4.4
70.92048	2.1
71.01254	47.2
72.99183	3.5
73.30206	1.0
75.00741	4.1
75.93542	1.1
83.01255	1.6
85.02827	8.4
87.00739	2.4
89.02317	65.0
94.43855	1.1
95.01259	3.8
96.26641	1.0
101.01684	2.1
101.02322	30.6
107.14926	1.1
113.02336	21.3
115.03864	1.4
119.03391	28.9
123.17619	1.0
131.03447	2.9
133.04941	3.0
143.03406	2.8
149.04449	2.4
161.04471	3.4
179.05521	6.4
237.06158	1.6
295.10324	87.0
296.10645	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	295.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93767	0.7
55.01732	0.8
57.03321	1.4
58.00465	3.8
59.01249	100.0
60.01578	0.9
68.02406	12.6
68.43161	0.7
69.02752	2.3
69.98156	3.6
69.98523	1.4
71.01252	53.0
72.01605	1.0
72.36224	0.8
72.99181	5.9
73.02822	1.4
83.01267	2.1
85.02821	10.4
87.00737	2.6
89.02312	70.6
90.02654	1.0
91.45326	0.7
95.01240	3.8
101.02316	29.9
113.02326	23.0
115.03867	1.7
119.03387	32.5
131.03401	3.1
133.04945	2.4
143.03392	3.7
149.04434	2.5
161.04469	3.9
179.05505	8.4
241.38712	0.8
295.10330	96.2
296.10669	5.6
301.49704	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14948	0.3
59.01255	2.2
60.54894	0.3
67.41472	0.3
71.01242	0.3
74.02349	1.0
89.03864	0.4
93.03329	1.7
95.04890	1.5
98.50461	0.3
105.03344	0.5
106.04144	0.3
108.02081	0.4
109.06477	0.3
117.03355	7.1
119.04875	0.3
121.02863	0.9
123.04411	17.5
130.04124	1.8
131.04932	7.5
132.05283	0.4
133.02850	23.8
134.03661	7.2
135.03993	0.4
145.02870	8.0
146.03526	0.4
147.04428	2.4
147.18156	0.3
149.02321	0.5
149.06009	2.7
152.28677	0.4
162.03139	43.2
163.03412	0.9
189.05469	0.4
192.04153	0.3
195.08037	0.5
206.07330	0.4
219.08049	0.5
221.09648	0.4
230.07272	0.6
231.08109	3.3
234.06841	0.4
235.07649	0.4
237.09215	1.2
238.10091	0.4
239.10670	2.0
247.07570	0.8
249.09250	1.5
253.08571	0.5
259.07626	5.2
263.07202	0.6
265.08640	1.1
266.09521	3.2
267.10104	1.2
277.05865	0.5
277.08707	6.1
278.09219	0.4
291.06580	0.7
293.08041	0.3
295.09753	100.0
296.10101	8.1
296.13275	0.6
296.18719	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0975
Annotation	Gymnoascolide C
Peak:m/z	Relative Intensity
58.72514	0.7
59.01249	4.7
62.49878	0.7
64.71042	0.6
71.58011	0.9
87.28458	0.6
88.37695	0.7
92.14715	0.6
93.03350	3.4
111.03587	0.6
131.04926	1.2
135.04404	1.2
137.09573	0.6
147.04431	3.5
157.08575	1.0
160.05215	6.7
161.05989	7.3
188.04724	1.5
189.05521	12.7
192.04207	6.4
195.13843	1.5
213.14900	14.0
222.06807	32.5
223.07271	2.8
235.07687	3.2
236.08296	1.1
237.05589	1.0
237.09137	1.7
249.09218	2.3
250.06337	1.7
251.16660	0.7
254.05795	15.5
255.06149	0.9
258.17401	0.8
263.07065	1.5
265.08838	3.6
267.10260	54.2
268.10596	3.1
277.08646	1.7
277.18097	2.2
282.05301	1.1
295.09753	100.0
295.19147	3.0
296.10052	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92654	1.1
58.90192	1.1
70.55711	1.9
70.56106	2.3
74.02348	1.1
78.06893	1.0
83.52808	1.0
86.98168	1.3
93.03343	4.5
106.52335	1.2
117.82210	1.2
133.06482	3.3
135.04390	4.7
147.04411	4.6
160.05219	55.1
161.06003	42.8
162.06319	2.4
171.04466	2.0
173.06003	2.6
188.04781	9.4
189.05508	100.0
190.05902	3.6
192.04221	43.7
193.04640	1.4
200.33125	1.1
201.05598	3.1
235.07829	1.4
265.08759	5.9
267.10220	10.5
277.08713	7.4
295.06445	2.3
295.09753	37.3
296.10364	2.4
296.18747	2.4
318.13010	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38350	1.0
59.01255	5.1
71.29026	2.4
93.03327	6.1
117.03332	2.2
133.06534	2.2
135.04433	2.4
143.04922	1.2
147.04422	4.6
160.05220	33.0
161.05989	34.2
171.04478	2.2
173.05986	2.2
174.12810	0.9
188.04723	5.8
189.05507	61.4
190.05803	2.9
192.02509	1.7
192.04219	33.9
193.04585	1.6
201.05525	2.6
209.06009	1.1
218.07248	1.2
219.08099	3.8
222.06894	5.5
230.07336	2.0
231.08070	1.3
235.07651	3.8
236.08292	2.1
237.76569	0.9
238.03064	0.8
240.30751	0.9
245.06032	1.1
246.06793	2.3
247.07634	21.3
248.08282	3.6
249.09178	1.6
254.05850	3.6
258.06812	2.3
259.07581	5.0
265.08698	100.0
266.08994	6.3
267.10297	9.0
277.08667	16.3
295.09747	80.1
295.19131	2.5
296.10126	6.6
306.60760	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1711
Annotation	Serratezomine B
Peak:m/z	Relative Intensity
53.31565	1.0
57.04185	1.0
59.01254	5.2
68.02409	100.0
69.02721	1.2
71.01247	2.5
71.04890	1.3
73.16714	0.8
80.97607	0.9
84.05185	0.9
85.02824	2.7
85.06455	1.7
96.95911	1.0
101.02288	1.9
126.68620	0.9
128.99179	1.6
136.94806	0.8
146.09685	1.1
162.12776	4.8
164.14354	13.9
165.14674	2.0
172.11206	1.3
190.12317	21.8
191.12619	1.3
206.15417	2.6
208.13371	25.6
209.13753	1.1
232.17027	38.2
233.17389	1.9
250.18283	1.0
276.16068	17.0
294.12720	3.1
294.17072	86.4
295.17178	4.6
295.22861	1.0
295.57864	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.3
56.99693	0.3
57.03323	1.3
58.00473	3.4
59.01253	100.0
60.01587	0.8
64.73184	0.3
70.07004	0.6
70.07414	1.2
71.01256	56.2
71.04915	0.3
72.01599	0.7
72.99189	5.7
73.02827	1.8
75.00750	11.1
83.01257	2.6
85.02826	10.5
86.26409	0.3
87.00757	2.2
89.02320	70.4
90.02690	0.8
95.01272	3.9
97.02863	0.3
99.00742	0.8
101.02325	32.9
102.02670	0.9
113.02334	22.7
114.02663	0.5
114.64820	0.3
115.00266	1.9
115.03899	4.1
117.01809	1.0
119.03391	35.4
120.03740	0.6
125.02341	0.5
129.01825	0.6
131.03394	2.5
133.04953	6.3
143.03416	2.9
149.04485	1.8
161.04445	3.9
171.16246	0.4
175.05959	0.3
179.05537	8.0
179.08026	0.4
226.91864	0.3
237.06140	4.1
284.83029	0.4
295.10342	87.9
296.10605	3.7
317.19513	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66173	1.2
53.14184	1.1
55.01751	3.0
58.00457	3.7
59.01252	100.0
60.61163	1.2
63.05819	1.2
71.01252	71.8
71.46104	3.3
72.99178	13.4
73.02818	2.7
75.00745	20.0
83.01250	3.3
85.02808	13.5
87.00743	4.1
89.02319	86.9
93.51767	1.5
93.52386	1.2
95.01269	4.5
101.02325	37.2
106.82063	1.2
107.04919	1.4
113.02332	29.1
115.00227	1.9
115.03893	4.3
117.01799	1.6
119.03390	39.2
129.01851	2.5
131.03387	3.0
133.04964	45.7
143.03391	5.3
147.02838	1.6
149.04480	1.6
161.04483	4.2
167.00226	1.4
167.33487	1.3
175.05904	1.5
179.05504	8.6
205.07031	1.4
217.48123	1.6
219.30333	1.3
237.06137	7.0
295.10336	98.1
296.10666	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50056	0.6
55.92325	0.6
57.03321	4.1
58.53104	0.7
59.01253	2.5
68.02415	15.8
69.02124	0.7
69.02752	1.3
69.47308	5.4
71.01260	2.1
80.02555	0.6
85.06462	0.9
96.43813	0.6
97.06433	0.8
98.19806	0.9
99.00774	2.2
106.06792	0.7
109.06477	1.7
113.09614	11.5
119.90963	0.6
127.07554	0.7
136.08838	29.4
139.11185	1.3
155.10651	1.2
159.62994	0.6
165.12732	0.9
167.10664	1.0
177.09138	3.0
177.12697	0.9
179.10667	1.4
183.10243	3.8
183.13860	10.5
192.11497	19.2
193.12213	1.8
193.15921	62.2
194.16296	3.0
195.12315	0.7
195.13753	3.4
203.40765	0.6
211.13380	3.8
220.14651	2.8
221.15417	5.6
226.13626	0.6
235.17052	0.9
236.10515	4.9
249.18559	19.4
250.18852	1.8
270.10587	0.7
275.20111	7.1
293.17642	24.7
293.21234	100.0
294.18179	1.4
294.21515	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	2.8
61.11325	0.7
63.16264	0.7
71.01255	1.1
81.78180	0.7
98.96144	0.8
110.95731	0.6
122.76089	0.8
123.08047	3.0
141.09122	18.6
148.38965	0.8
169.08615	5.8
177.16342	0.8
193.12262	4.6
195.13879	1.3
223.13319	1.9
231.21170	1.7
249.22198	2.7
265.21747	1.6
275.20154	10.8
276.20398	1.1
293.21231	100.0
294.21585	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	5.6
80.04396	0.9
104.91904	0.9
113.09645	2.6
139.13022	0.9
149.13272	1.5
153.81718	0.9
193.12265	24.3
195.13817	1.1
206.17018	0.9
211.07538	1.0
229.43570	1.0
231.21126	2.8
249.22125	1.4
251.63237	1.0
275.20148	18.2
276.20465	1.8
293.21219	100.0
294.21481	6.9
305.63037	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.2
59.01243	2.4
59.09021	0.7
62.43828	0.6
62.77606	0.6
63.26472	0.6
68.02409	12.2
69.02743	1.1
69.03316	0.6
70.91341	2.2
71.01257	1.9
71.04890	1.1
83.04920	0.8
85.23840	0.6
93.03358	0.8
97.06476	0.7
135.24977	0.8
139.11172	0.7
151.11208	1.9
153.12695	1.0
169.12271	1.8
173.97624	0.7
192.11389	0.8
193.12213	0.9
193.15944	1.9
195.13855	1.1
197.11772	18.2
200.46954	0.6
220.14763	1.6
221.15399	5.0
231.21140	0.9
236.10548	4.2
249.18610	3.2
249.22104	0.8
251.09564	1.3
275.20142	13.6
276.20526	1.0
279.08777	0.9
293.21231	100.0
294.11441	0.7
294.21503	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	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.3
59.01248	2.7
61.85475	0.5
68.02412	10.6
69.02124	0.5
69.02720	0.5
69.03302	0.6
70.15569	2.5
71.01263	1.3
76.24615	0.5
86.87886	0.5
89.61288	0.5
93.03313	0.6
96.02998	0.6
109.06498	1.0
111.08074	0.9
113.09631	3.9
121.10149	1.2
125.09604	1.2
127.07523	0.5
136.08817	1.8
139.11218	1.0
149.09717	0.5
152.91643	0.5
165.12790	0.9
167.10663	0.9
171.10175	2.2
177.09186	0.9
177.12903	0.7
179.10658	0.5
179.14433	0.5
183.10207	0.6
183.13834	5.6
184.14133	0.5
185.11775	1.1
192.11456	1.4
193.15903	5.2
195.13844	6.0
197.11760	1.0
205.12256	1.4
211.13304	2.8
220.14612	3.9
221.15431	8.0
223.13353	2.8
236.10507	5.8
249.18591	2.0
249.22224	1.1
265.21786	0.9
275.20206	7.4
276.20538	0.6
279.08875	0.9
293.21219	100.0
294.11316	1.3
294.21539	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64007	2.2
59.01237	5.6
63.40229	2.0
66.76228	1.9
68.02415	40.8
69.02721	4.4
71.01264	3.2
98.20589	3.0
104.55589	2.6
136.08798	4.8
152.32275	1.9
171.10182	2.3
177.47174	2.0
193.12221	4.8
193.15889	9.7
195.13878	10.8
220.14651	9.6
221.15448	15.6
223.13338	7.5
236.10504	12.8
249.18509	3.3
256.13120	3.3
261.39841	2.2
275.20258	10.1
279.09097	3.9
293.14209	2.9
293.18002	3.4
293.21231	100.0
294.21536	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	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51971	0.3
55.55333	0.3
58.47661	0.4
59.01241	0.8
67.21452	0.4
68.02405	0.9
71.01267	0.4
79.95614	2.3
91.13880	0.3
96.95891	100.0
97.04326	0.3
98.20558	1.3
113.09589	0.9
123.54296	0.4
129.29756	0.4
168.69933	0.4
174.08516	0.4
179.14386	0.5
192.11635	0.4
193.12245	0.6
195.13843	4.8
205.12317	0.8
211.13278	0.4
220.14621	0.8
221.15421	1.9
223.13393	3.5
228.13618	0.8
229.72847	0.6
232.99033	0.4
236.10516	1.0
256.13150	1.5
265.21939	0.4
275.20175	3.8
276.20639	0.6
293.17957	69.1
293.21274	34.6
294.10977	0.4
294.18250	5.4
294.21622	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.5
70.92684	1.7
70.93044	2.4
72.99196	1.3
73.02810	1.3
83.77930	1.0
96.95897	15.3
125.09560	1.2
139.11180	3.0
153.12758	1.9
177.92343	1.0
184.68666	1.0
191.17972	4.2
195.54697	1.0
247.20592	3.8
293.18021	8.8
293.21198	100.0
294.18408	1.4
294.21426	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	6.1
59.01231	2.5
67.69205	0.9
69.08221	0.7
69.29591	7.9
69.29919	1.7
74.60119	0.7
85.06451	1.2
97.06469	0.9
98.20556	1.5
113.09611	17.1
116.05561	0.8
137.87576	0.9
139.11200	1.8
162.67175	0.7
167.10652	1.8
177.12750	0.9
179.10693	1.3
188.63759	0.8
195.13815	2.9
249.22224	2.2
275.20126	2.2
293.21216	100.0
294.21509	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24858	1.2
66.06619	1.6
67.57481	1.4
75.90604	1.2
101.52498	1.5
119.15977	1.4
121.10137	3.8
171.10201	4.3
195.13818	15.0
196.14528	1.8
223.13342	10.9
256.13141	4.1
275.20169	17.5
278.21567	1.3
293.21231	100.0
294.21616	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	3.1
69.37502	12.0
69.37911	2.6
74.13271	1.5
87.44978	1.7
92.77705	1.5
101.98556	1.5
121.10125	49.6
122.10429	1.9
127.11179	1.5
128.80988	1.4
131.29408	1.9
151.80173	1.6
171.10197	81.3
172.10599	2.6
183.10226	7.4
183.13805	5.4
185.11739	3.4
231.21141	5.6
235.17110	2.3
275.20172	100.0
276.20398	8.1
293.21243	90.1
294.21552	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.5
58.40109	0.4
60.73207	0.5
68.02409	57.1
69.02111	1.6
69.02747	3.5
69.53422	0.5
71.57204	1.0
96.95901	0.7
97.06431	0.9
104.54804	0.5
121.10101	0.5
125.09605	4.8
126.99458	0.7
128.99150	0.5
141.12766	1.2
149.09612	1.4
171.10161	0.6
185.11758	9.0
197.11697	2.9
249.22134	1.0
275.20120	1.2
293.21225	100.0
294.21582	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	3.6
59.01260	3.7
68.02406	4.3
70.23955	2.9
71.01245	1.5
89.71199	0.7
93.73769	0.6
97.06493	0.8
113.09612	6.6
121.10069	0.9
125.09593	1.6
127.11189	1.6
139.11150	1.4
152.84525	0.9
171.10165	2.3
183.13876	1.2
185.11838	3.4
193.12279	2.1
193.15962	2.2
195.13800	2.7
220.14600	3.1
221.15382	5.4
223.13414	0.8
235.16959	1.9
236.10435	3.4
249.22227	2.2
265.21744	4.8
275.20129	6.7
288.97522	0.8
293.21228	100.0
294.21539	10.1
294.72104	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	1.3
68.02403	4.1
68.34263	1.0
70.08157	3.8
86.49444	1.0
112.82951	0.9
121.10117	37.3
121.10987	1.9
125.09586	2.2
125.62154	0.9
129.77057	0.9
133.18538	0.9
136.86058	0.9
171.10184	67.5
172.10472	2.3
183.13821	2.4
185.11752	2.3
230.76256	1.0
231.21098	4.0
249.02626	1.0
258.33923	0.9
275.20145	100.0
276.20511	4.0
289.57962	1.0
293.21228	68.5
294.21591	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	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01279	1.0
68.02435	1.4
70.12651	1.4
70.28737	0.3
71.01251	8.8
79.76019	0.3
87.81944	0.4
98.47388	0.3
111.08076	0.5
113.09694	0.4
127.07594	1.3
148.05215	1.5
151.07507	0.7
164.08369	2.0
171.10225	1.0
177.09125	6.0
179.14346	0.5
183.13846	0.4
192.11487	8.0
192.13229	0.4
193.12027	1.3
195.13831	5.7
205.10341	0.5
205.12268	8.5
207.13797	2.0
211.13354	0.7
217.08676	0.6
218.09366	2.2
220.14630	54.4
221.15404	100.0
222.15730	7.4
223.13347	4.5
228.13664	1.2
231.21284	0.4
233.34692	0.4
235.13327	1.4
235.17006	0.8
236.10503	69.1
237.10884	4.6
249.22061	0.4
256.13068	1.7
275.20135	4.9
276.20432	0.6
280.05478	0.4
293.17587	6.1
293.21164	40.6
294.07440	0.4
294.18204	0.6
294.21411	3.3
311.42679	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.0
57.33057	0.6
59.01248	3.7
66.08507	0.6
68.02396	2.3
69.60669	4.9
71.01244	1.7
71.04906	1.4
79.95605	0.8
87.29476	0.6
93.03363	0.7
113.09631	0.7
125.09631	1.0
141.12737	0.7
149.09581	1.2
156.13864	1.4
157.14191	1.9
167.97244	0.6
171.10243	0.7
177.09132	0.7
185.11807	3.8
195.13844	10.0
196.14349	0.9
197.11844	0.9
205.12280	1.6
211.13341	0.9
220.14645	4.1
221.15445	9.8
222.15649	0.7
223.13351	6.8
224.13818	0.8
228.13744	0.9
235.16867	1.0
236.10506	7.0
249.22255	0.9
256.13174	2.0
257.13382	0.7
265.21527	1.1
269.60602	0.8
275.20166	8.1
276.20462	0.9
279.09106	1.4
293.21201	100.0
294.11523	0.8
294.21542	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.2
59.01256	8.0
68.02410	4.0
70.14790	3.6
71.01247	3.3
79.86935	0.8
83.04888	0.9
93.03339	0.7
97.06461	0.9
111.08018	1.1
113.09610	1.6
115.03902	8.9
120.71170	0.7
121.10142	3.3
123.08214	0.8
140.29994	0.8
149.42668	0.7
152.91679	0.9
158.43529	0.8
164.08421	0.9
171.10204	5.6
177.09106	3.1
177.16412	1.6
179.14409	1.1
189.46696	0.7
192.11526	2.0
192.20799	0.9
193.12242	3.4
195.13855	13.2
205.12206	4.1
218.09460	0.9
218.86411	0.9
220.14645	17.1
221.15430	35.8
222.15778	2.0
223.13354	10.3
224.13715	1.1
228.13588	1.7
231.21193	1.7
233.11748	0.8
235.13358	2.2
235.16992	4.2
236.10498	22.7
237.10896	2.3
256.13138	4.0
275.16910	1.7
275.20157	19.9
276.20474	1.7
279.09155	1.2
293.17664	6.2
293.21213	100.0
294.11371	1.1
294.21500	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	7.2
59.01244	2.6
71.01263	0.6
71.34669	0.6
71.34988	0.5
83.04906	0.5
85.06452	0.7
95.04848	0.4
97.06469	1.1
104.50233	0.4
109.06469	0.8
113.09611	21.7
114.09968	1.0
121.10118	1.3
125.09607	0.6
134.03500	0.4
135.11690	0.4
139.11197	2.7
149.09674	0.8
167.10693	2.3
171.10173	2.6
177.12775	0.9
179.10643	2.2
185.11765	1.2
188.08125	0.4
195.13828	3.3
218.34306	0.3
235.16910	2.0
249.22289	2.1
263.11478	0.4
275.20160	5.5
293.21231	100.0
294.21570	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12826	1.2
59.45050	1.2
60.24196	1.0
61.55607	1.1
65.10835	1.1
71.01257	7.0
71.35166	2.4
75.09354	1.2
85.46970	1.1
87.81824	1.1
88.06593	1.1
89.84740	1.0
140.54971	1.2
148.05165	2.3
177.09113	4.6
180.50365	1.1
191.09648	1.1
192.11456	6.3
195.13835	2.9
205.12280	9.9
207.13802	2.1
218.09378	1.9
220.14638	51.5
220.16797	2.7
221.15402	100.0
222.15791	5.6
223.13350	2.1
236.10495	74.5
237.10936	4.4
244.86072	1.4
275.20236	1.6
293.17538	6.0
293.21179	15.4
301.07983	1.4
308.38031	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.176
Annotation	Discosiolide
Peak:m/z	Relative Intensity
55.01748	0.7
57.03331	1.6
59.01253	1.8
68.02412	11.4
69.02750	0.7
69.03316	0.7
69.31305	3.5
69.31734	2.7
71.01254	1.4
79.03351	0.5
79.95600	4.6
80.96400	1.2
98.19839	1.1
99.00760	2.9
109.06474	2.8
113.09624	3.4
127.07572	0.7
136.08838	47.0
137.09279	1.8
165.12752	0.9
167.10696	0.6
177.09186	3.0
183.13826	25.5
184.14262	1.4
191.10651	0.9
192.11491	29.9
193.12100	2.7
193.15906	99.3
194.16220	5.3
194.92824	0.7
195.13771	0.7
205.12158	0.6
211.13330	8.5
212.13635	0.7
220.14587	2.6
221.15367	5.3
223.16966	2.1
235.16977	3.6
236.10397	2.9
249.18576	30.6
250.19000	2.1
265.00180	0.6
265.21701	1.6
275.20135	13.1
276.20517	0.7
279.09018	0.8
293.17661	41.9
293.21219	100.0
294.11502	0.6
294.18002	2.8
294.21545	7.0
303.08875	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63369	0.5
57.03332	0.5
59.01246	0.9
68.02413	0.6
69.49804	3.2
71.01250	0.9
71.04898	0.5
79.95615	2.7
81.79724	0.3
95.95127	0.8
96.95887	100.0
97.95815	0.4
111.08026	0.5
113.09615	0.9
118.96178	0.4
135.01854	0.5
161.04523	0.4
179.10710	0.5
179.14392	0.6
193.12340	0.5
195.13806	4.8
205.12260	0.6
211.13255	0.7
220.14566	1.1
221.15450	2.5
222.15858	0.5
223.13261	3.5
228.13667	0.6
236.10509	1.3
256.13199	1.3
275.20142	3.8
293.17911	69.8
293.21225	32.5
294.11362	0.5
294.18246	5.2
294.21564	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	293.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27078	0.3
54.88177	0.2
59.01249	14.0
66.67839	0.3
67.02864	0.8
68.02412	25.5
69.02128	0.7
69.02732	2.0
69.03336	0.5
70.64567	0.7
70.64886	0.3
71.01250	0.9
71.04877	0.3
83.04905	0.4
89.02299	0.5
126.99448	0.5
128.99184	0.6
137.09657	0.4
152.08273	0.4
155.10651	0.4
165.12793	1.3
167.10680	0.4
167.14349	0.9
183.13828	8.3
184.14185	0.5
193.12256	2.8
211.13339	100.0
212.13696	5.1
221.15395	0.5
233.11555	14.2
234.12006	0.7
245.28220	0.3
275.16495	2.1
293.08844	0.5
293.14090	5.2
293.17297	0.6
293.20929	0.9
293.95322	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0822
Annotation	Lanceolatin C
Peak:m/z	Relative Intensity
52.38157	0.6
52.72226	0.7
59.01246	1.1
70.13396	3.5
78.08131	0.7
78.95777	4.3
89.03860	1.0
91.05428	0.9
93.03342	13.9
98.20364	1.0
109.75686	0.6
110.27655	0.6
117.03369	2.0
119.04919	100.0
120.05265	3.2
129.39296	0.7
130.04153	2.0
130.59329	0.7
143.04936	2.7
156.05672	0.8
157.41360	0.7
163.03923	4.3
171.04539	0.8
187.03949	1.4
194.08380	1.0
202.97729	0.7
205.06667	0.9
207.08212	0.8
219.08136	2.8
220.08763	0.8
221.06142	0.8
221.09688	8.6
221.11665	1.1
223.07591	0.8
228.64003	0.8
231.08128	2.0
233.06097	1.9
234.06668	1.4
235.07654	1.1
236.08398	1.4
237.09166	1.8
247.07663	10.6
248.08388	7.1
249.09187	54.8
250.09511	3.7
264.07562	0.9
265.08701	11.8
275.07162	1.3
293.08206	70.4
294.08475	5.0
313.20062	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0822
Annotation	Abyssinone I
Peak:m/z	Relative Intensity
62.14043	0.2
68.02431	0.4
69.78015	0.2
70.88371	0.3
70.97859	0.6
78.95789	0.4
79.95616	0.5
80.87196	0.2
93.03336	0.8
96.95874	0.6
106.96967	0.3
119.04926	0.4
187.03903	1.3
193.06519	1.2
194.07788	0.6
195.08234	0.3
206.07199	0.5
213.05400	0.3
217.06557	0.5
219.08115	3.4
220.08490	0.4
221.06033	2.5
222.06390	0.3
223.07584	0.4
235.07594	0.4
237.05571	0.3
237.09123	0.9
245.06059	1.2
246.06860	0.7
247.07625	14.7
248.07983	1.3
249.05510	0.4
251.07133	1.1
263.07135	1.5
265.05832	0.4
265.08694	3.4
266.08856	0.4
275.07162	15.6
276.07477	0.9
278.62552	0.2
291.06677	1.9
293.08215	100.0
294.05313	0.5
294.08545	8.8
294.11835	0.5
301.04501	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12841	0.4
51.42841	0.4
57.03317	0.9
59.01239	0.9
64.21151	0.4
68.02416	0.4
69.79047	0.8
69.79463	1.2
71.01249	0.7
80.96389	100.0
83.01237	0.5
85.02811	2.9
96.95855	0.4
98.99220	0.4
106.09105	0.4
109.02848	0.4
129.01830	0.4
130.08606	0.5
134.03645	1.7
135.04350	0.5
137.09554	0.4
147.08098	0.4
167.14296	0.4
183.13771	2.0
187.07600	0.4
187.10843	0.9
191.01979	0.6
193.12253	0.6
211.13335	49.3
212.13695	2.7
247.13322	0.4
293.10703	17.9
293.13718	1.0
294.11014	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1921
Annotation	Nordihydrocapsaicin
Peak:m/z	Relative Intensity
59.01247	4.0
68.02414	25.2
71.01250	2.3
71.38052	2.4
97.97306	1.1
116.96065	1.0
121.10110	3.5
132.43187	1.2
154.27686	1.1
156.13855	100.0
157.14142	4.0
171.10211	3.9
184.12563	1.1
192.11429	1.8
193.12221	3.3
195.13815	2.6
200.12842	6.6
205.12271	1.7
207.13730	1.2
220.14688	7.7
221.15443	18.3
236.10487	14.3
241.98161	1.3
274.18790	2.4
275.20114	6.2
292.16486	1.5
292.19974	29.7
293.17648	4.2
293.21185	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0819
Annotation	6-Methoxy-[2'',3'':7,8]furanoflavanone
Peak:m/z	Relative Intensity
52.93749	0.4
53.12412	0.5
66.46910	0.5
68.02399	1.0
70.37282	0.5
71.01231	0.4
71.57426	0.7
72.87479	0.4
74.91235	0.4
77.01814	0.4
77.05827	0.4
93.03324	1.9
93.40630	0.4
95.04926	0.5
113.37249	0.4
117.03342	3.2
119.04926	0.5
123.04411	4.3
131.04912	1.9
133.02827	1.9
134.03658	2.4
147.04430	2.6
162.03152	0.7
177.82498	0.4
185.11647	0.5
193.06390	0.5
206.07211	1.0
208.05276	0.4
208.59741	0.4
209.06061	1.5
217.06494	1.1
218.07143	0.6
219.08086	3.8
221.15479	1.0
222.06863	5.1
225.79204	0.5
233.06143	0.8
235.07582	4.8
236.08305	1.2
237.09055	1.3
245.06035	1.5
246.06769	3.9
247.07614	28.4
248.08200	3.7
249.14844	0.5
253.53558	0.5
254.05826	3.9
263.07077	4.4
264.07867	2.2
265.08691	67.4
266.09012	5.3
275.07114	1.1
275.19952	0.7
276.07956	0.6
293.08212	100.0
293.21109	5.7
294.08554	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	291.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16172	0.4
55.67459	0.4
57.03320	1.0
59.01260	5.8
68.02411	11.2
69.03322	0.5
70.33032	1.9
71.04894	13.6
82.54082	0.4
83.04903	1.3
85.06471	0.7
93.03316	0.7
93.06996	0.5
95.04825	0.5
97.06469	4.7
113.09620	1.1
119.08549	0.8
121.02843	2.0
121.10153	1.0
123.08083	0.8
125.09605	1.0
137.09607	0.5
139.11168	1.1
147.11800	0.7
163.11136	0.6
165.12755	3.8
171.10239	0.8
175.14838	0.8
181.12241	0.7
185.11745	1.0
193.12360	0.6
207.13834	1.6
209.04434	0.9
209.11777	3.7
211.13336	1.0
219.13818	1.8
229.19524	1.6
231.10292	1.0
233.15440	2.0
235.16963	1.7
247.16925	0.6
247.20636	5.3
263.20145	9.5
264.20541	1.0
273.18588	6.1
274.18967	0.6
278.59555	0.5
291.19659	100.0
292.20016	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	291.2331
Annotation	16alpha-Hydroxysteroid
Peak:m/z	Relative Intensity
57.03326	9.9
58.00458	4.6
59.01249	1.7
68.02414	20.8
69.03310	0.9
69.25803	11.1
71.01252	2.2
71.04890	2.6
73.02820	24.4
74.14251	0.8
83.04896	1.2
84.02051	5.5
85.02827	2.5
95.04931	2.3
97.06460	1.6
107.04876	1.2
109.06470	1.7
109.90443	0.9
111.08037	2.0
113.05949	2.1
113.09637	1.2
121.02830	2.3
125.05988	2.7
127.07556	1.3
127.11092	1.0
138.59962	1.0
139.07539	2.8
139.11186	1.8
155.14415	1.4
158.49652	0.9
165.12766	11.9
166.13229	1.2
185.33147	1.1
209.04526	1.6
220.09778	1.1
233.15343	1.9
247.20641	8.4
255.21190	1.6
261.22281	2.1
263.23819	6.4
271.20767	1.3
271.65891	0.9
273.18634	4.0
273.22223	15.0
291.19644	100.0
291.23282	66.1
292.19971	7.4
292.23599	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.233
Annotation	Androstanediol
Peak:m/z	Relative Intensity
53.48640	1.2
54.33109	1.3
57.03323	2.1
58.00473	7.0
59.01249	3.4
68.02414	8.5
69.03288	1.3
69.94094	7.4
71.01250	4.0
71.04877	2.0
73.02439	2.4
73.02821	29.7
83.04897	2.6
84.02053	8.0
85.02843	2.4
97.06482	4.7
98.20488	2.4
107.65861	1.2
111.08056	4.0
113.09566	1.9
125.05988	5.6
125.09643	1.8
127.07532	2.8
139.07542	4.5
139.11147	2.3
141.12759	1.5
155.14325	1.7
165.12738	3.3
183.60159	1.2
193.56021	1.3
205.19594	2.1
247.20763	1.9
255.21130	4.0
261.22208	5.5
263.20419	1.1
263.23813	9.5
264.24182	1.4
273.19168	2.1
273.22214	21.0
274.22455	1.9
291.19696	32.3
291.23300	100.0
292.19995	4.1
292.23648	10.6
301.07504	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.7
59.01252	1.0
59.56163	0.4
68.02412	95.8
69.82402	2.1
69.82813	0.7
73.02740	0.3
78.24744	0.4
80.02495	0.4
83.04895	0.7
92.23439	0.3
93.06984	1.3
95.04907	0.3
97.06460	1.6
111.08056	3.3
121.10130	12.7
123.08063	1.0
125.09625	6.2
126.99435	2.2
128.31042	0.4
140.74763	0.4
141.12741	1.0
143.87480	0.4
152.08186	1.5
165.12683	0.4
167.10667	0.5
171.89772	0.4
177.12804	0.7
185.11758	12.4
186.12071	0.4
195.13831	2.1
197.11763	3.3
209.11797	1.1
211.13289	1.9
223.13310	1.1
247.20613	1.3
273.18616	1.7
286.76398	0.4
291.19662	100.0
292.08673	0.6
292.19983	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	291.1966
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
53.43289	0.5
55.64145	0.5
57.35762	0.5
68.02412	2.9
70.90936	0.6
70.91291	1.4
71.94962	0.5
73.02819	55.9
73.86897	0.5
73.91843	0.5
97.66723	0.5
98.15411	0.5
107.08003	0.5
109.94355	0.5
121.02880	0.7
142.52786	0.5
181.82237	0.6
255.39296	0.6
272.88565	0.5
273.18970	0.6
291.19666	100.0
292.20020	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	291.1967
Annotation	12-OPDA
Peak:m/z	Relative Intensity
57.03317	1.7
59.01254	4.5
59.83912	0.4
62.12109	0.5
66.82484	0.5
67.04182	0.5
68.02416	1.8
69.03335	0.6
71.01264	0.6
71.04893	25.5
71.06786	1.2
78.67022	0.5
79.28452	0.5
83.04895	2.2
85.06461	3.8
93.03344	0.7
95.04896	0.5
97.06467	7.5
111.08049	1.8
121.02819	2.1
121.10133	2.1
123.08050	0.8
125.09661	1.4
135.08051	1.0
135.11722	0.7
139.11174	0.5
164.38515	0.4
165.12743	0.6
175.14828	0.7
177.15681	0.5
181.12326	1.3
185.11748	5.0
189.16415	0.9
193.12299	0.8
195.13780	1.2
205.12473	0.5
205.15871	1.0
207.13808	2.7
209.04546	1.0
217.15907	0.7
219.13892	2.6
229.19571	2.0
233.15399	3.1
234.15749	0.5
235.16925	3.5
247.20740	3.3
263.07004	0.7
263.20096	1.1
273.18607	5.3
274.18927	0.6
291.19659	100.0
292.19958	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	291.1964
Annotation	12-OPDA
Peak:m/z	Relative Intensity
61.99421	0.7
64.88651	0.8
68.02410	7.7
70.02213	3.7
78.45840	0.7
85.18421	0.7
113.51094	0.7
127.93132	0.7
144.21948	0.8
148.08885	0.9
163.11124	0.7
165.12759	15.1
165.82123	0.7
166.13043	0.8
169.29091	0.7
247.20619	9.1
252.36522	0.8
273.18515	5.3
291.19656	100.0
292.19971	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	291.1966
Annotation	12-OPDA
Peak:m/z	Relative Intensity
57.03316	2.6
59.01242	2.2
63.59850	1.0
68.02412	4.2
69.17042	1.0
70.08842	2.5
71.04891	1.4
80.12106	1.1
83.04916	1.1
97.06479	1.3
98.20600	1.1
98.31557	0.9
111.08038	3.0
113.09617	5.3
117.48647	0.9
121.10133	9.4
123.08060	1.1
125.09639	5.0
137.44060	0.9
139.11214	3.4
165.12683	2.6
171.10168	1.1
177.09116	1.0
177.12773	1.0
185.11758	8.9
186.38599	1.0
195.13849	1.7
197.11816	3.1
247.20667	4.0
273.18658	4.9
291.19678	100.0
292.19934	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	291.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31083	0.5
57.03328	5.9
59.01254	5.1
68.02410	3.9
69.03330	2.3
69.46768	1.4
69.47182	3.5
71.01268	1.5
71.04893	13.5
83.04893	3.0
84.14775	0.5
85.02831	1.3
85.06466	16.2
87.04411	2.2
91.41917	0.6
93.03342	0.9
97.06464	4.9
99.04379	1.0
109.06471	0.7
111.08048	6.3
121.02843	2.1
132.97992	0.7
135.11708	0.9
149.13243	0.6
161.13293	0.9
165.12769	0.7
167.10687	1.0
175.14851	0.9
178.81308	0.7
181.12270	1.5
189.16460	1.8
191.10728	0.7
191.14294	1.0
192.96123	0.7
193.12379	1.9
195.13860	1.1
205.12286	2.5
205.15929	7.0
207.13843	2.2
209.04544	0.7
217.15979	1.5
219.13824	1.9
221.15427	2.2
223.17084	1.7
229.19585	3.4
233.15463	7.7
235.16891	3.0
247.20654	6.9
263.20105	1.4
273.18622	11.3
291.10709	1.9
291.19672	100.0
292.19952	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	291.1968
Annotation	Etherolenic acid
Peak:m/z	Relative Intensity
59.01260	6.1
68.02420	22.6
69.42827	4.4
69.43229	19.5
71.01249	3.0
73.02817	8.8
89.63522	2.7
93.00362	2.1
97.06466	74.4
99.08049	4.4
121.02876	4.7
165.12704	6.7
183.13948	3.1
193.12212	19.8
211.13344	54.0
212.13693	3.1
247.20691	3.6
263.20065	3.9
273.18555	4.4
291.19678	100.0
292.19885	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	291.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41731	0.8
52.19143	0.8
55.65236	0.7
57.03315	0.9
59.01250	0.8
60.69810	0.6
63.29958	0.6
65.03829	10.4
66.03371	3.1
67.02882	0.7
68.02407	100.0
69.04450	2.8
70.02870	0.7
72.00774	1.0
72.99168	0.6
74.02354	1.4
76.15820	0.8
80.04922	28.3
83.01260	2.3
92.04944	3.4
94.02905	1.5
96.04420	15.6
98.19803	2.3
106.06474	4.5
111.08053	2.1
116.04951	5.3
118.06504	9.1
124.03925	2.2
126.07573	0.7
126.99461	3.0
127.11221	1.0
128.10699	46.5
129.11098	1.1
129.24939	0.7
134.06017	2.6
135.09161	7.8
141.12682	0.9
146.06070	0.8
147.06400	1.1
152.08186	1.5
154.12279	6.6
162.05507	16.3
163.05820	1.1
168.13834	3.5
172.09787	1.2
179.08173	15.8
181.13354	8.0
182.11809	0.8
212.12857	1.3
245.16624	0.8
247.18207	2.5
291.17050	8.1
301.18259	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
55.01748	1.1
56.29296	0.5
59.01242	2.1
68.02408	100.0
68.86282	0.6
69.03317	0.6
69.65231	3.3
71.04890	26.9
82.41010	0.5
88.95276	0.5
97.06461	8.5
103.26205	0.6
111.08062	0.8
126.99462	3.2
133.06488	0.7
143.21617	0.6
152.08214	1.5
157.80241	0.5
175.14944	0.6
181.12305	1.2
181.86502	0.6
190.86867	0.5
195.13960	0.7
199.68825	0.5
203.98174	0.6
207.13779	3.2
217.15868	0.7
219.13800	2.9
234.57541	0.5
235.16980	3.4
235.87868	0.6
247.20662	2.2
273.18533	1.5
291.19647	77.9
292.08514	0.7
292.19986	6.1
300.28387	0.7
308.15253	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0488
Annotation	Unknow
Peak:m/z	Relative Intensity
71.10068	5.6
74.97263	3.0
76.87019	3.5
78.95322	5.7
78.95779	91.8
83.88831	3.2
87.43936	2.8
93.27196	3.7
100.00643	3.5
110.98421	100.0
120.04209	2.9
150.57741	4.3
153.06578	3.8
171.07646	8.7
175.02377	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	291.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	0.9
58.11235	0.7
59.01252	100.0
60.01581	1.2
68.02410	99.7
69.25811	8.8
71.01258	5.4
71.92139	0.8
73.02820	2.0
75.47015	0.7
76.80176	0.7
83.01257	1.2
85.02823	3.2
98.19967	3.4
99.00745	1.3
101.02321	5.3
111.02150	0.7
113.02334	1.2
126.99451	1.9
128.99164	1.9
149.78450	0.8
152.08173	1.8
161.04482	1.4
249.13400	10.1
260.24689	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	3.7
61.68491	0.9
68.02382	1.4
70.88701	1.0
71.01245	1.6
71.57522	1.5
78.95791	1.3
81.98627	1.1
89.02325	1.5
107.47252	1.0
109.04075	1.1
125.09621	1.8
127.11143	1.8
137.09622	5.0
153.09091	2.9
155.10692	56.9
156.11038	3.0
171.10182	55.5
172.10558	2.1
181.08760	1.4
190.88809	1.3
199.09709	18.9
217.10768	65.2
218.11095	2.0
244.84193	1.3
291.14499	100.0
292.14935	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	289.1809
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
59.01257	0.5
65.36272	0.4
70.21214	0.3
71.04906	0.4
71.13166	0.8
73.96534	0.3
77.56827	0.5
88.53408	0.4
91.61012	0.3
96.23054	0.4
97.02815	0.4
104.75491	0.4
112.95422	0.4
119.08583	1.8
125.02343	0.4
125.09593	1.0
138.21512	0.4
169.70079	0.4
229.15926	3.4
230.16240	0.5
231.38530	0.4
257.15436	8.4
258.15881	0.7
271.16931	0.4
273.14926	0.5
289.18094	100.0
290.18457	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	289.181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.3
59.01262	1.4
65.03838	2.1
68.02409	0.6
71.01254	0.4
71.58086	0.2
71.58556	0.4
80.02532	0.4
83.04897	0.5
85.02811	0.6
95.04941	0.4
97.06464	3.0
97.53259	0.3
106.04131	0.8
108.57590	0.3
109.06480	2.2
111.08064	0.7
117.07043	0.4
119.08554	100.0
120.08900	3.9
121.06552	0.3
121.10120	0.4
123.08022	2.0
125.09613	18.3
126.09943	0.7
126.15215	0.3
129.68781	0.3
131.04919	0.4
133.24490	0.3
135.08125	0.3
137.09714	0.4
143.10678	0.6
145.06512	1.3
149.09602	0.6
159.08044	1.1
160.08829	1.3
161.05980	0.6
161.09688	0.3
163.11143	0.4
167.10609	0.3
169.08627	0.5
187.09708	0.3
189.16386	0.5
191.14310	0.4
227.18095	0.6
233.15446	7.9
234.15814	0.4
245.19073	2.6
271.17075	1.9
287.16397	0.6
289.18097	98.4
290.18414	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	289.181
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
52.76183	0.3
59.01240	0.7
59.83957	0.4
66.50021	0.3
70.01413	1.0
73.45837	0.4
75.33733	0.4
83.71016	0.3
98.19800	0.6
119.08617	0.7
138.05048	0.4
229.15933	3.8
230.16220	0.6
241.69653	0.5
257.15442	7.7
258.15814	0.8
273.14661	0.4
289.18091	100.0
290.18433	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	289.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27429	0.5
57.02455	0.5
59.01249	2.0
69.59933	2.1
69.60353	1.2
80.02569	1.3
81.03343	1.0
83.04908	1.1
83.69220	0.5
93.79800	0.4
94.97468	0.4
95.04913	0.9
97.06487	0.8
106.04139	2.1
107.04908	0.8
109.06474	11.1
111.08012	2.5
114.05855	0.5
121.02739	0.6
121.06481	0.8
123.08038	2.9
134.02374	1.0
135.08022	0.9
136.03963	0.5
137.09627	1.6
143.10674	1.8
145.06480	3.3
149.09628	2.0
151.11198	0.9
159.08046	0.5
161.09618	0.6
163.11211	0.9
167.10759	1.8
177.09142	0.5
179.10583	0.8
181.12315	0.8
191.14455	0.8
215.14400	0.8
227.17924	0.7
245.19106	7.5
246.19302	0.6
261.18799	0.5
271.16992	2.0
273.14926	0.9
287.16553	3.4
289.18146	100.0
290.18472	8.8
305.56247	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
62.91949	1.5
66.13217	1.5
67.02866	1.6
70.02129	6.3
71.01250	7.2
72.95878	1.4
72.99175	6.7
78.95779	100.0
87.00739	1.7
88.03911	10.4
95.02377	5.7
96.00785	3.8
96.96844	86.0
98.19875	2.2
99.00812	1.9
108.60262	1.4
110.98403	4.4
112.05051	4.9
113.03400	1.9
114.01877	2.5
114.05468	3.4
114.98766	5.4
115.00279	7.8
131.04483	1.7
131.08159	26.7
132.02927	18.8
132.08531	2.4
133.01334	3.5
138.97910	2.7
156.07664	5.5
168.90474	1.6
168.98944	2.6
172.99290	2.5
173.10347	7.4
186.97289	14.0
187.98714	2.1
199.00070	6.3
210.08704	6.0
211.07162	5.2
221.22281	1.4
227.11382	6.1
228.98328	10.4
229.01396	3.0
234.32364	1.7
242.56970	1.6
245.70711	1.6
253.09364	3.3
271.10397	15.3
289.03271	7.5
289.11435	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	289.166
Annotation	oscr#14
Peak:m/z	Relative Intensity
57.03331	8.5
59.01252	100.0
65.03836	2.0
67.01747	2.4
69.03330	18.7
69.64442	10.9
70.67862	1.5
71.01237	2.5
71.04903	3.1
72.99171	1.8
78.95778	2.3
81.03331	4.8
83.01269	2.0
83.04897	19.2
84.02023	3.9
85.02827	48.4
85.06454	1.8
86.03176	1.9
87.00743	7.3
91.05413	5.4
93.03323	4.7
97.02834	2.3
97.06464	3.6
98.19823	3.2
99.08045	4.1
101.02312	3.5
106.96254	1.8
107.04922	4.1
108.05631	1.7
109.06482	48.6
110.03651	4.1
110.06799	2.2
111.03639	2.6
111.04410	50.4
112.96494	1.5
113.09599	1.5
127.07518	1.7
129.09087	5.2
131.06073	2.6
137.93849	1.5
141.05476	4.5
153.05498	2.6
171.06570	1.7
171.10240	2.1
215.12860	6.0
230.97694	2.0
271.15579	5.6
289.16559	95.7
290.16977	6.5
303.58801	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	289.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
62.91949	1.5
66.13217	1.5
67.02866	1.6
70.02129	6.3
71.01250	7.2
72.95878	1.4
72.99175	6.7
78.95779	100.0
87.00739	1.7
88.03911	10.4
95.02377	5.7
96.00785	3.8
96.96844	86.0
98.19875	2.2
99.00812	1.9
108.60262	1.4
110.98403	4.4
112.05051	4.9
113.03400	1.9
114.01877	2.5
114.05468	3.4
114.98766	5.4
115.00279	7.8
131.04483	1.7
131.08159	26.7
132.02927	18.8
132.08531	2.4
133.01334	3.5
138.97910	2.7
156.07664	5.5
168.90474	1.6
168.98944	2.6
172.99290	2.5
173.10347	7.4
186.97289	14.0
187.98714	2.1
199.00070	6.3
210.08704	6.0
211.07162	5.2
221.22281	1.4
227.11382	6.1
228.98328	10.4
229.01396	3.0
234.32364	1.7
242.56970	1.6
245.70711	1.6
253.09364	3.3
271.10397	15.3
289.03271	7.5
289.11435	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	288.1603
Annotation	Mesembrine
Peak:m/z	Relative Intensity
50.59675	0.3
50.63092	0.3
51.96515	0.3
52.25061	0.3
53.68887	0.3
57.03318	0.3
57.58273	0.3
59.01237	1.7
59.84688	0.3
61.83936	0.4
65.03836	0.5
65.98287	0.3
66.33337	0.3
69.55009	2.5
81.03324	1.1
82.92100	0.3
83.04891	0.4
92.04922	1.1
93.03330	1.3
97.06468	0.5
98.19794	0.8
99.65041	0.4
106.04133	0.9
108.04419	4.4
109.02846	3.6
109.06477	4.4
111.08022	0.4
119.05027	0.3
119.08557	11.2
121.06486	0.4
123.08038	0.9
123.92888	0.3
124.01551	0.7
125.09616	2.0
133.10080	0.3
134.02370	40.0
135.03175	7.9
136.03943	38.3
137.02342	2.3
137.04250	1.4
137.09608	0.6
143.10678	0.8
145.06541	1.6
148.03877	0.8
149.04742	1.0
149.09615	0.8
151.11218	0.6
167.10690	0.8
176.03453	5.6
177.04239	0.7
179.10735	0.7
179.69006	0.3
181.03737	0.6
190.05066	0.7
245.19171	2.6
260.16537	0.5
271.16989	1.0
273.14868	0.6
287.16504	1.3
288.16058	100.0
289.18277	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2228
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
57.03326	0.4
58.00460	0.9
59.01247	1.4
59.95967	0.3
65.46793	0.3
67.50356	0.3
71.57995	0.5
80.52213	0.3
113.09600	4.6
117.06989	1.8
125.09601	1.2
127.11184	2.9
141.09079	0.7
143.10680	2.5
143.24889	0.3
153.06609	0.5
155.10648	1.1
157.12230	0.6
171.10197	2.2
196.58559	0.3
201.02940	0.3
201.11208	1.4
211.20628	0.5
223.20569	0.4
225.18585	0.6
239.20079	1.3
241.21704	3.2
243.17485	0.5
251.20172	2.0
267.19617	0.5
269.21210	9.1
270.21512	0.6
285.20660	4.3
286.21234	0.4
287.22263	100.0
288.22604	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.5
59.01244	2.6
59.87600	0.5
71.57281	0.6
71.57669	0.9
81.03378	0.7
83.04893	0.5
88.85336	0.6
89.69634	0.6
93.03325	0.8
95.04953	0.7
109.06488	0.7
118.10371	0.5
125.02323	1.0
141.05695	0.6
151.73862	0.6
174.12283	0.5
189.12846	0.7
211.16713	0.6
211.20656	9.5
237.18646	0.7
239.20132	10.4
240.20624	0.7
240.75539	0.6
241.21703	23.2
242.03065	0.7
242.22021	2.0
243.17477	2.6
287.16595	7.4
287.22287	100.0
288.16617	1.3
288.22635	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	287.2229
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
50.17206	0.2
57.03312	0.3
59.01245	1.0
66.60272	0.2
70.25367	0.9
79.95596	1.2
95.04900	0.7
107.04899	0.3
109.06485	0.6
111.08026	0.6
113.09615	2.0
121.06521	0.3
123.08021	0.5
125.09566	0.5
127.11180	2.6
141.09064	0.4
141.12764	0.6
143.10680	1.0
155.10732	0.2
157.12251	0.4
161.09602	0.3
171.10217	0.4
177.43141	0.2
189.12738	0.8
211.20715	0.4
217.96721	0.2
223.11240	0.5
239.20108	0.8
241.21684	1.5
243.17522	2.5
267.19556	0.3
269.21259	2.6
270.21371	0.3
271.04364	1.0
272.04797	0.5
285.20718	1.7
287.07523	9.5
287.16629	6.7
287.22278	100.0
288.07779	1.0
288.17172	0.4
288.22632	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	287.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.8
59.01255	9.3
66.91511	0.7
71.29397	1.0
80.02542	0.7
81.03326	1.9
83.04897	1.0
93.03307	0.8
95.04905	8.1
106.04105	2.3
107.04906	3.2
107.68745	0.7
109.06487	10.3
111.08054	1.0
119.04900	0.8
120.05669	0.6
121.06510	4.6
121.10169	1.9
123.08060	6.3
125.02311	1.1
127.07495	0.9
132.05771	0.9
133.10092	1.2
135.08061	2.8
144.05551	0.7
145.06479	1.5
147.08054	2.1
149.09610	4.2
157.06487	0.8
159.08037	1.5
161.09598	2.4
163.07626	0.9
163.11197	0.8
171.08072	0.7
172.08755	0.7
175.11201	1.8
177.09221	1.2
177.58237	0.7
187.11223	1.4
189.12804	7.7
215.14325	1.4
225.16415	0.9
241.15993	1.4
243.17517	34.1
244.17842	3.0
269.15393	2.7
287.16528	100.0
287.22110	4.4
288.16910	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	287.1653
Annotation	Hynapene B
Peak:m/z	Relative Intensity
50.84099	0.4
59.01248	8.4
59.51799	0.5
62.70683	0.4
68.78975	0.5
69.03335	0.7
71.01250	0.7
71.18910	0.8
73.05264	0.4
80.02550	0.6
80.18526	0.4
81.03329	2.3
83.04893	2.1
93.03329	0.6
93.06989	0.9
95.04899	8.8
97.06458	1.4
106.04137	2.5
107.04917	3.6
107.08496	0.6
109.06477	12.1
111.08011	1.3
113.88834	0.5
119.04895	0.7
119.08567	1.2
121.06471	4.7
121.10098	2.4
123.08052	8.3
125.02364	0.6
127.07521	0.8
133.10118	1.3
135.08070	2.9
135.11697	0.8
141.09157	1.0
145.06477	1.3
146.07181	0.5
147.08032	2.5
149.09633	4.2
151.11186	0.7
159.08029	1.3
160.08795	0.5
161.09607	3.9
163.07561	0.8
171.07993	1.2
172.08833	0.6
173.09586	1.4
175.11221	3.7
177.09125	1.2
187.11176	1.6
189.12778	9.7
190.13107	0.6
191.10638	0.9
201.12825	0.7
213.11305	1.9
215.14342	1.9
219.13808	2.0
225.16380	1.2
227.14342	0.5
235.52676	0.5
241.15863	1.2
243.17511	37.3
244.17896	3.6
269.15494	2.4
271.09576	0.7
287.12943	4.0
287.16516	100.0
288.16858	10.9
303.12057	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1653
Annotation	Estriol
Peak:m/z	Relative Intensity
51.02026	0.6
58.58723	0.6
59.01249	4.1
63.55735	0.5
67.22551	0.5
69.93227	0.5
71.57097	0.9
71.57503	0.6
72.55608	0.5
83.89053	0.5
84.12074	0.5
88.04708	0.6
91.05990	0.6
97.06473	3.2
99.08039	1.0
101.40371	0.6
102.04649	1.1
107.36617	0.6
109.02875	0.7
115.05440	2.0
117.06989	28.6
118.07331	1.8
121.06512	0.8
123.04435	1.5
125.09617	3.7
145.98871	0.6
153.12759	27.6
154.13107	1.2
163.11208	0.7
165.09134	1.5
169.12289	1.0
181.12265	100.0
182.12668	5.4
228.84290	0.7
231.13887	1.5
243.17503	1.0
253.84608	0.6
269.15396	1.1
287.16528	29.9
287.21976	1.7
288.16806	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	287.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46265	0.6
53.74271	0.5
59.01252	6.2
61.71120	0.5
62.03652	0.5
71.58011	1.2
78.74173	0.6
78.95758	0.9
80.02527	0.8
81.03333	2.3
83.04873	1.6
93.03326	0.9
93.06982	0.9
95.04904	8.8
97.06462	0.7
106.04126	2.5
107.04913	3.0
109.06472	10.3
111.08047	0.8
119.04904	1.0
119.08553	0.6
121.06463	5.8
121.10107	2.3
123.08039	7.1
133.10150	1.4
135.08017	2.5
145.06471	0.9
147.08009	1.4
149.09583	4.6
159.08084	2.1
161.09610	2.2
162.27675	0.6
163.11258	0.8
167.10646	0.6
169.01378	0.5
171.04465	0.5
171.08061	1.0
173.09659	1.1
175.11217	2.8
177.09169	1.0
187.11140	1.0
188.11755	0.8
189.12785	8.0
190.13101	0.6
191.10689	0.9
215.14346	2.5
225.16548	0.6
227.14536	0.6
233.67577	0.6
241.16034	0.6
243.17514	34.0
244.17783	3.0
245.15523	0.5
269.15399	2.4
273.42819	0.6
277.94211	0.6
287.16516	100.0
288.16800	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	287.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	6.1
65.03851	0.8
70.67896	0.9
70.68280	1.1
71.01253	1.1
80.02539	1.0
81.03313	1.4
83.04905	1.7
91.05421	0.9
93.03280	0.8
93.06969	1.0
95.04903	7.5
97.06475	1.4
98.19946	0.7
106.04130	1.8
107.04890	3.0
109.06480	11.4
111.04395	0.7
111.08017	0.9
119.08565	0.9
121.06525	4.3
121.10123	2.0
122.03573	0.6
123.08041	8.0
125.02277	0.7
127.07525	0.6
129.80582	0.7
132.05663	0.9
133.06476	0.7
133.10146	0.8
135.08040	1.8
145.06500	1.3
147.08067	1.9
149.09615	5.6
158.07306	0.8
159.08076	1.3
161.09634	1.9
162.31979	0.7
164.58147	0.7
173.09653	1.1
175.11165	2.4
177.09070	1.3
187.11220	1.1
188.72488	0.7
189.12758	7.3
191.10739	0.9
215.14349	1.8
215.17853	0.7
225.16563	0.9
242.31580	0.6
243.17513	36.4
244.17845	2.5
269.15460	2.0
287.16507	100.0
288.16818	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	286.2387
Annotation	Prosopinine
Peak:m/z	Relative Intensity
59.01262	0.6
69.85821	1.4
70.02839	1.2
70.49772	0.3
74.05984	1.9
116.65416	0.3
117.06994	4.8
118.04966	1.0
123.04425	0.5
125.09611	0.4
145.08598	0.4
159.10182	0.7
159.88370	0.4
175.19940	0.3
215.22540	0.3
228.89757	0.4
240.23276	2.7
242.21298	1.6
243.17383	0.4
256.22964	0.4
268.22842	0.9
269.15494	0.5
286.23865	100.0
286.96127	1.4
287.16537	4.4
287.24277	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0925
Annotation	IRIFLOPHENONE TRIMETHYL ETHER
Peak:m/z	Relative Intensity
57.75794	0.2
57.78979	0.2
59.01240	0.9
59.29797	0.2
70.41557	0.5
70.41953	0.5
75.00742	0.3
93.03332	0.3
105.05712	0.3
120.08071	2.9
122.06013	3.4
148.07582	0.5
149.07906	0.5
156.98761	5.6
157.99072	0.3
161.02348	0.5
164.07089	0.6
172.05147	0.3
173.05983	0.7
174.03119	0.3
175.03889	0.8
181.06834	0.3
184.85759	0.3
185.06023	0.9
186.06825	0.3
187.03931	0.4
188.04633	0.3
189.05501	1.3
196.05228	0.5
197.06007	1.4
198.06714	0.5
199.03859	0.4
199.07613	4.1
200.04724	0.3
200.08331	1.4
203.07066	1.8
211.07671	0.3
212.04774	1.0
213.05507	0.8
215.03429	0.9
227.03522	2.7
227.07068	3.7
228.07782	0.7
229.05028	1.1
230.05766	0.6
232.07272	0.6
237.05492	0.4
240.04234	8.1
241.04996	5.1
243.02954	0.7
243.06575	0.5
243.10478	0.4
245.00351	0.4
255.06590	15.9
256.06857	1.1
257.04358	1.1
257.08136	1.3
258.05310	3.3
258.08359	0.3
259.05795	0.4
259.09656	0.6
262.04910	0.5
272.03275	0.7
272.06796	0.9
276.06320	0.3
287.09241	100.0
288.09589	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	285.2073
Annotation	Hexadecanedioate
Peak:m/z	Relative Intensity
53.43298	0.5
57.03314	3.6
59.01255	4.4
70.83788	0.6
71.01259	0.9
71.06020	1.5
78.95773	1.2
81.40764	0.5
91.48789	0.6
111.08040	1.6
113.09615	7.0
116.59431	0.5
119.04885	1.1
123.08092	1.0
123.24385	0.6
125.09621	2.4
127.11181	5.6
141.09125	13.4
143.10674	3.4
153.09094	7.2
157.08609	17.1
158.09068	0.7
171.10213	7.5
177.16391	1.5
187.09691	2.8
196.98845	0.7
205.19525	1.0
211.13303	0.9
223.20697	0.6
239.20026	0.8
246.39059	0.6
249.18578	7.1
267.19635	10.2
268.20001	1.2
273.75452	0.7
283.19110	0.8
285.04010	2.1
285.20706	100.0
285.27206	2.4
286.21060	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	285.2435
Annotation	2-Methoxyhexadecanoic acid
Peak:m/z	Relative Intensity
55.01750	0.8
55.69070	0.8
65.57251	0.9
68.22005	0.8
68.22356	0.8
69.57939	5.7
69.58369	1.3
76.66288	0.7
78.95768	0.8
83.04884	1.0
98.19823	1.8
102.29186	0.8
106.95274	0.9
235.20639	1.2
237.22211	3.4
239.23773	58.6
240.24095	3.5
267.23254	1.6
285.04077	3.2
285.24359	100.0
285.26840	4.3
286.24692	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	286.145
Annotation	Cocculitinine
Peak:m/z	Relative Intensity
70.02710	1.1
80.23287	0.2
85.02831	1.0
85.93056	0.2
93.03336	5.8
94.06489	0.9
97.28936	0.2
98.19839	0.3
98.20414	0.4
100.38801	0.2
106.06500	0.8
123.18082	0.2
135.69902	0.2
162.09151	0.4
165.85056	0.2
177.51024	0.2
178.03197	0.2
198.09140	0.5
200.10735	100.0
201.11069	5.3
212.13696	0.3
236.83464	0.2
242.15486	0.4
286.14465	36.6
286.21112	0.8
287.14737	2.3
287.22351	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	3.2
59.01254	2.7
66.05344	1.0
69.03339	2.3
69.37287	8.5
71.01247	1.3
76.66495	0.9
81.03352	1.1
83.04909	4.9
84.02061	1.3
85.02829	2.7
93.03379	2.0
94.04149	1.0
95.04903	6.2
98.20502	1.9
106.04110	1.5
108.02052	1.2
109.06509	1.5
111.08027	1.0
113.05938	1.3
116.65563	1.0
117.73223	1.0
119.04955	1.7
123.04436	2.0
123.08040	3.7
123.85175	1.0
125.09616	1.7
127.11224	1.0
130.08621	1.1
150.03169	1.6
161.05989	2.1
163.11224	2.7
165.12790	4.0
171.10170	9.2
174.36530	1.0
193.15887	8.2
195.91635	1.0
201.11249	5.1
205.15970	2.3
205.17757	1.1
209.11781	2.0
211.13335	9.2
221.11905	1.1
221.15359	1.1
223.13489	1.1
231.14003	1.7
237.14949	21.5
237.17227	1.5
241.14461	1.3
246.84938	1.0
247.13416	2.1
249.14964	15.7
250.15485	1.1
257.15317	1.3
257.17706	2.4
265.14426	1.4
267.16022	71.5
268.16220	6.2
269.64178	1.3
280.94199	1.0
284.26740	1.4
285.04169	3.8
285.07767	2.5
285.11499	3.6
285.17163	100.0
285.27252	3.6
286.17532	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	0.4
59.01252	1.0
66.85191	0.4
67.03270	0.4
69.03304	0.6
71.58279	0.7
83.04905	0.7
88.90199	0.4
93.03307	0.8
101.02314	0.5
107.01284	0.5
108.02033	1.1
119.04904	1.7
123.04374	0.5
136.01558	1.4
151.00299	0.4
152.91689	0.4
159.04288	0.4
165.12680	0.5
167.14287	0.6
179.03368	0.4
183.13820	7.8
184.14255	0.4
193.12331	2.3
211.13339	100.0
212.13672	5.6
214.04231	0.4
223.16966	0.8
237.09148	1.0
267.16046	0.9
284.26828	0.5
285.04001	3.0
285.11227	4.8
285.17044	3.4
285.20660	1.1
285.27023	1.1
286.04272	0.6
286.11749	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2074
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
57.03329	0.7
59.01244	1.7
69.03280	0.4
71.01246	0.6
71.04893	1.0
71.06000	0.9
78.95778	2.6
79.63657	0.4
79.79801	0.4
80.02538	0.4
83.04903	0.8
84.02055	0.7
86.03249	0.4
95.04908	1.9
96.95949	0.4
97.06471	7.7
99.08045	4.9
102.25882	0.4
108.02076	1.2
110.43587	0.4
111.08043	1.2
113.09628	6.3
115.85519	0.3
119.04934	1.2
123.04399	0.6
125.09631	0.6
127.11197	2.5
137.09628	0.7
139.11159	0.8
141.12753	1.7
143.07022	1.6
145.65611	0.4
151.11191	1.2
167.10773	0.4
167.14165	0.5
169.12207	0.6
211.13420	0.6
221.19109	0.6
223.20599	1.8
239.20114	0.9
265.18210	1.9
267.19690	4.9
268.20096	0.5
285.04153	2.7
285.12024	2.0
285.20724	100.0
285.26978	2.9
286.21066	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	285.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	3.0
71.58426	1.0
71.58776	0.7
73.02816	1.7
78.95763	1.0
90.69718	0.8
93.03320	0.9
97.06449	1.3
101.05981	1.3
105.01815	1.3
105.88244	0.7
123.04404	5.7
153.12744	8.6
156.98802	1.0
160.97701	0.7
167.14122	0.7
179.10699	2.0
183.13806	6.5
184.14259	0.8
191.75230	0.7
193.12328	2.3
197.11797	7.2
202.98653	1.1
204.46118	0.7
211.13344	100.0
212.13675	4.1
241.17165	0.7
285.03964	2.2
285.13882	1.5
285.17108	1.9
285.20648	3.2
285.26947	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	285.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	3.5
59.01234	3.0
69.24030	14.1
69.24451	7.7
71.01291	2.6
74.73500	1.6
75.00743	3.0
83.04864	2.6
85.66787	1.7
93.03350	2.0
95.63112	1.9
98.19765	3.8
101.05943	2.2
107.01273	2.2
108.02055	6.6
111.08060	1.9
119.04919	6.7
121.02824	2.3
123.08160	2.5
123.53738	1.9
125.09616	2.6
127.11198	2.2
136.01547	7.6
156.98752	11.8
163.11189	2.0
171.10173	3.5
173.13811	2.0
178.00006	1.7
183.13638	2.5
193.15871	5.5
197.11752	2.0
197.15471	2.1
201.11237	5.2
209.11829	3.0
211.13354	25.9
211.15205	3.1
221.15482	2.2
234.92593	2.2
237.09216	12.4
237.14941	16.0
249.14912	10.3
267.13095	3.0
267.16000	60.0
268.16330	4.4
285.04272	17.5
285.07828	4.2
285.11243	19.5
285.17072	100.0
285.27020	6.7
286.12137	1.9
286.17407	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	285.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98808	0.3
58.75174	0.4
59.01242	0.6
63.02279	0.6
65.58493	0.3
71.57543	0.5
79.95614	0.8
93.03333	0.3
99.89852	0.2
104.76082	0.3
123.04369	0.6
133.06454	0.5
169.06506	0.4
171.04395	0.6
171.10214	0.4
183.01152	1.8
184.01881	0.8
197.02704	33.4
198.03450	8.6
199.03780	0.3
211.04326	0.5
211.13315	0.9
213.05466	0.4
216.00865	0.9
230.02505	10.1
231.02791	0.5
253.01393	0.5
257.04568	0.8
267.10654	1.6
285.04199	2.0
285.11652	100.0
286.11966	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	285.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54365	0.2
58.75148	0.3
59.01234	0.8
69.40766	2.3
79.95571	1.2
80.96397	0.3
85.31018	0.2
93.03329	0.5
101.82165	0.2
121.02824	0.4
123.04422	0.6
133.06502	0.5
148.07608	0.6
183.01117	5.6
183.02678	0.5
184.01921	1.8
197.02699	39.5
198.03432	5.6
198.55882	0.3
200.60037	0.3
211.04335	1.1
211.13367	1.7
212.05174	0.3
216.00923	1.3
230.02495	8.3
231.02895	0.3
237.66638	0.3
244.04126	0.4
267.10306	0.4
285.11642	100.0
286.11975	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	285.1134
Annotation	Acutifolin F
Peak:m/z	Relative Intensity
57.74858	0.4
61.69001	0.5
71.56887	0.6
87.43996	0.5
93.03344	5.4
105.71619	0.4
108.02037	1.0
117.03407	0.5
119.04929	1.4
121.02850	35.0
121.41154	0.4
122.03208	1.1
123.04375	0.9
130.04152	1.1
131.04942	2.9
132.05670	0.6
134.03625	0.6
135.04468	0.6
136.96478	0.4
143.04935	5.2
144.05283	0.5
145.06471	3.7
193.06578	0.5
195.08046	2.8
210.09698	0.4
222.06816	1.9
223.07555	5.4
224.07945	0.6
235.07629	1.3
236.08415	7.0
237.09184	100.0
238.09521	7.9
241.08600	1.2
255.10292	7.9
267.06653	3.3
285.04443	0.6
285.07700	7.0
285.11176	1.8
286.08005	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1135
Annotation	Agatharesinol
Peak:m/z	Relative Intensity
56.97527	0.6
59.01250	1.3
68.99699	1.7
69.03340	1.2
70.59692	1.6
70.60061	1.5
74.77801	0.6
77.14770	0.6
83.04907	1.0
85.02821	1.8
91.05409	0.9
93.03340	9.3
97.02794	0.8
101.44948	0.7
101.79913	0.7
119.04913	2.8
121.02827	5.5
121.06468	1.7
122.60599	0.7
123.04381	0.8
130.04115	1.8
131.03455	0.6
131.04926	2.1
135.08083	0.7
136.01561	1.1
143.04958	5.0
145.06491	1.1
181.06563	0.7
195.08026	1.4
196.08707	0.7
197.09669	9.3
211.07654	3.6
215.10739	1.6
235.07574	1.5
236.08347	6.4
237.09175	100.0
238.09468	8.7
255.10277	2.3
267.10226	1.3
284.66254	0.7
285.04172	1.2
285.11060	4.0
285.20679	1.0
285.27094	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	285.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
59.29946	2.2
69.27842	24.6
71.01252	61.1
72.99188	7.3
83.01294	3.7
85.02823	11.0
85.55743	2.0
87.00768	3.4
89.02317	86.4
101.02325	27.3
113.02330	20.9
119.03385	31.2
123.04400	11.7
128.38963	2.4
131.03391	3.7
143.03392	7.2
143.19371	2.2
161.04535	5.1
179.05534	15.4
284.26859	6.5
285.27023	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49282	18.0
61.98694	57.1
66.91494	20.6
71.01241	33.1
71.56172	38.8
72.99174	34.8
82.02782	21.9
87.00760	29.7
89.02300	24.5
96.00774	23.9
97.02781	23.6
105.01832	100.0
123.04371	29.0
180.71100	20.8
227.67880	20.8
284.26810	46.3
285.04007	29.1
285.27005	35.0
288.23514	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	285.0979
Annotation	Salicin
Peak:m/z	Relative Intensity
51.42103	0.5
59.01250	0.7
70.96236	0.5
70.96551	1.1
71.01249	3.2
83.68970	0.5
85.02832	1.6
93.03353	0.7
95.04898	6.2
100.04948	0.5
101.02312	1.4
105.03360	1.4
106.36430	0.5
121.02847	0.9
123.04407	100.0
124.04725	3.0
161.04456	1.6
284.26651	1.5
285.26926	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95319	0.5
57.03326	1.0
58.02839	0.5
63.07365	0.5
63.22793	0.4
69.90386	2.4
72.00782	1.3
74.02347	100.0
75.02695	1.3
78.82127	0.5
80.08939	0.5
81.41552	0.5
82.02827	0.5
93.03350	1.7
96.04443	0.8
100.12444	0.5
118.04994	8.8
144.80254	0.5
147.78844	0.5
161.02426	0.7
178.12236	0.6
194.11865	0.7
222.11316	3.0
224.13741	2.3
225.09250	1.0
240.12383	26.5
241.12622	1.5
283.26395	2.0
284.10226	0.7
284.15042	11.1
284.26788	17.1
285.04233	0.9
285.07748	0.5
285.11249	2.4
285.26865	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.077
Annotation	5,7-Dihydroxy-3-(4-hydroxybenzyl)-chromone
Peak:m/z	Relative Intensity
59.01226	3.6
60.46914	2.1
69.03326	2.7
70.05147	9.6
70.96986	2.1
71.16910	1.7
72.99164	2.2
83.04910	7.9
93.03333	34.2
95.04906	6.2
98.20367	3.0
106.04115	22.7
107.01244	2.8
107.04903	69.6
108.02060	4.0
117.03355	7.9
117.59798	1.9
119.04904	29.3
121.02852	21.7
123.04404	2.4
127.11193	2.5
134.03642	19.3
135.04439	17.9
138.03130	9.3
139.03894	10.7
147.04431	8.4
150.03133	17.6
151.03900	7.9
151.07552	2.2
163.03909	6.6
169.12251	2.4
171.10197	15.0
178.02623	6.4
179.03410	100.0
180.03741	4.3
182.02132	50.8
183.13847	3.3
191.03432	25.2
201.11281	7.1
211.07573	15.1
211.13348	36.7
213.09088	7.5
223.07561	4.8
223.13376	5.2
237.14848	6.2
241.08633	18.2
241.14632	2.4
249.14941	12.3
255.06641	12.3
257.08240	4.4
267.06567	9.8
267.16022	16.3
284.26749	16.2
285.04120	14.1
285.07697	77.7
285.11234	11.4
285.17050	42.1
285.20432	4.1
285.27045	8.8
286.07996	7.7
286.17386	3.1
308.40073	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	283.2279
Annotation	12-(2,3-Dihydroxycyclopentyl)-2-dodecanone
Peak:m/z	Relative Intensity
59.01245	2.6
67.19322	0.6
67.60625	0.5
69.56213	0.7
69.56623	3.8
71.01260	0.6
127.11226	2.6
136.11246	0.9
155.10699	16.7
156.11040	0.6
265.21722	16.3
266.22034	0.7
278.31396	0.5
281.21140	1.0
283.22769	100.0
283.26376	97.7
284.23099	8.1
284.26715	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	283.1553
Annotation	Botryaloic acid
Peak:m/z	Relative Intensity
55.32360	1.0
57.03322	4.0
59.01253	62.7
69.03333	1.5
70.98164	2.2
71.01244	3.1
71.04893	1.4
72.61642	1.1
83.04881	1.5
85.02819	1.5
89.02302	1.7
92.41331	1.2
93.03391	1.4
99.04431	1.3
101.02348	1.3
109.06483	1.5
113.02350	1.2
153.51913	1.1
167.10706	4.6
179.10712	1.4
179.14339	4.6
195.13832	13.5
201.02661	1.2
205.12248	12.3
211.13452	1.1
219.13794	1.2
221.13261	2.1
221.15424	41.4
222.15808	1.4
223.13354	100.0
224.13699	5.2
239.16496	38.0
239.18956	1.4
240.16795	2.6
255.11470	2.0
265.14508	10.5
265.17114	1.6
283.11044	5.5
283.15527	80.9
283.19083	6.6
283.26401	74.8
284.15759	6.9
284.26764	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	283.1916
Annotation	Koninginin C
Peak:m/z	Relative Intensity
57.03316	2.4
57.33210	0.6
57.37891	0.8
59.01245	6.4
63.45460	0.7
69.03313	1.2
69.37709	5.3
71.01229	0.8
71.04895	4.5
79.95609	0.8
83.04896	1.4
84.02034	0.9
85.06449	5.6
98.19842	1.6
98.20487	1.3
99.04369	1.1
101.02301	1.0
101.05965	9.7
102.40080	0.7
111.08044	0.9
128.40343	0.7
151.11171	1.9
153.12753	1.7
155.10548	0.7
169.12291	5.6
171.10193	3.4
181.12268	8.3
183.13832	3.0
193.12309	2.5
197.11777	16.3
198.12167	1.1
199.13312	10.2
201.02507	2.0
201.11194	0.7
203.17987	0.8
211.13342	26.9
211.71980	0.7
212.13672	3.0
219.13879	1.3
221.15370	0.8
237.18649	0.9
247.16998	2.9
265.18063	26.1
266.18393	2.3
283.10657	3.6
283.13843	3.4
283.19150	100.0
283.26346	36.4
284.19473	9.2
284.26816	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	283.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25453	0.6
55.50795	0.7
57.76725	0.6
58.19009	0.6
58.54463	0.6
59.01250	9.8
65.03831	5.8
69.03332	3.1
81.03330	3.1
83.04900	6.1
85.02839	0.6
86.69016	0.7
93.03329	5.9
95.04920	1.0
96.66619	0.6
106.04099	1.2
109.02847	0.9
111.04408	12.7
118.98351	0.7
119.04911	1.9
121.02835	1.0
121.06467	1.1
123.04411	0.8
125.09612	1.2
127.11169	0.7
130.04137	1.1
131.04918	4.6
134.03600	0.8
135.04462	0.8
136.27779	0.7
147.04301	0.7
149.05963	1.6
163.11221	1.1
171.10184	10.9
177.05486	2.4
179.10681	4.5
180.11142	0.7
199.09663	1.1
201.11272	6.7
203.10744	0.8
203.14401	1.2
209.11781	13.7
213.11287	1.3
219.13847	0.8
221.11758	2.7
223.07617	0.8
223.09657	1.2
223.13368	1.9
225.09068	0.8
229.12173	0.7
237.14772	0.7
239.07277	0.9
239.12831	7.6
247.07701	0.7
247.13324	5.6
253.05170	0.8
253.06111	0.9
253.08716	8.6
254.08777	0.8
255.10284	0.7
265.08731	5.6
265.14441	19.6
266.09311	0.7
283.03204	0.7
283.06247	4.0
283.09698	8.7
283.15851	3.4
283.26416	100.0
284.26785	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	283.1551
Annotation	Hysterone D
Peak:m/z	Relative Intensity
57.03322	0.7
58.90046	0.3
59.01249	30.5
69.27642	3.4
71.01242	0.4
83.04891	3.5
89.02283	0.3
91.44810	0.3
96.97076	0.3
98.20610	0.6
99.42974	0.3
102.28801	0.3
121.10028	0.4
126.78517	0.3
135.04407	0.4
137.09634	0.4
139.11168	0.5
153.12738	0.4
177.12785	0.6
179.14281	0.4
195.13867	4.0
201.11331	0.3
209.11752	1.3
211.13269	0.3
223.13338	10.5
224.13661	0.4
241.14415	100.0
242.14731	5.1
248.13000	0.3
250.28717	0.3
283.09912	0.9
283.15500	5.1
283.26416	12.7
284.15756	0.4
284.26984	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32430	1.7
57.28646	1.8
59.01250	100.0
63.06094	1.8
70.97778	6.1
71.01255	2.5
71.24136	2.1
72.84363	1.9
83.04886	4.5
89.02368	2.8
111.91681	2.0
167.03413	4.5
174.47078	2.2
195.13933	2.9
209.11754	9.3
223.13313	5.9
241.14429	58.2
242.14755	2.4
253.08887	3.4
265.08685	2.6
283.10114	4.6
283.15616	4.3
283.26398	97.7
284.26675	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	283.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36271	0.6
57.03322	4.3
59.01253	73.9
59.66651	0.8
69.03327	2.5
69.77885	2.4
69.78319	2.7
71.04906	1.3
76.57695	0.6
81.03336	1.1
83.04966	0.8
93.03352	0.9
97.68185	0.7
109.06501	1.2
123.48541	0.7
149.05971	1.4
149.09659	0.7
155.10707	0.8
167.10674	4.1
177.05479	1.8
177.12738	0.7
179.10716	1.8
179.14342	4.1
195.13846	13.3
196.14171	0.9
201.02475	1.6
205.12296	10.4
209.11794	1.8
221.15425	40.4
222.15712	3.1
223.13350	95.6
224.13742	6.2
233.06346	0.7
239.16495	38.4
240.16878	2.0
265.14438	13.8
266.14828	1.1
283.06934	0.8
283.09836	2.9
283.15524	65.1
283.19128	15.4
283.26425	100.0
284.15866	5.7
284.19110	1.2
284.26767	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	283.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
69.85564	0.4
69.85976	0.9
75.27825	0.2
79.95208	0.2
79.95647	0.7
85.30463	0.3
95.12881	0.2
98.19827	0.2
109.89701	0.2
113.08880	0.2
127.91806	0.2
170.00253	0.3
182.36200	0.2
182.99490	0.5
183.01128	12.1
184.01866	2.8
197.02701	30.3
198.03465	8.6
199.03741	0.4
211.04236	0.5
216.00877	1.7
230.02493	7.5
244.85602	0.2
283.13712	100.0
283.26141	1.4
284.14035	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	283.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
68.02385	0.2
70.14644	0.7
70.15050	0.4
79.95211	0.2
79.95631	0.8
98.19844	0.3
119.04931	0.3
126.99421	0.3
148.80362	0.2
159.14354	0.2
170.00275	0.5
183.01134	18.9
184.01921	4.8
197.02710	22.1
198.03462	5.1
211.04341	0.3
216.00917	2.3
230.02509	3.1
257.47864	0.2
283.13718	100.0
283.26132	1.1
284.14041	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	282.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00442	0.4
59.01244	3.4
60.99173	0.6
66.03352	1.4
69.03309	0.7
69.80081	2.5
70.02867	2.8
71.01255	1.9
73.02821	3.4
74.02342	67.4
75.83694	0.4
78.03367	0.5
81.02069	1.4
83.01271	0.5
83.94746	0.5
84.04434	0.8
85.02816	0.7
86.02354	1.8
93.03339	2.5
94.02859	4.3
95.04910	1.9
96.04424	27.5
97.04778	1.1
98.02362	0.7
98.19862	0.7
100.03907	0.9
101.02326	0.5
106.62903	0.6
107.04917	1.3
112.03932	2.1
114.05500	1.0
116.03413	17.3
121.02824	0.6
122.02390	0.9
123.04412	5.9
130.04996	0.6
140.03423	0.6
146.06003	0.8
154.86055	0.4
158.04501	3.7
158.05867	1.1
172.07591	0.5
176.05556	100.0
177.05949	2.3
180.06508	0.5
182.06099	0.8
184.07634	0.9
200.07056	0.7
282.09824	56.9
283.10193	3.5
283.26450	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	283.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.6
58.00478	0.4
58.99474	22.8
59.01250	7.5
69.70837	1.8
71.01254	11.5
71.01658	0.5
72.99162	0.5
73.02812	2.5
74.98972	0.7
83.01260	1.0
85.02821	5.0
87.00748	10.8
89.02319	4.7
95.01251	0.5
99.00767	0.8
101.02325	5.4
102.98473	100.0
103.98811	1.1
113.02326	4.3
119.03404	2.4
120.99541	0.6
143.03461	0.6
157.71967	0.3
158.04695	0.3
159.02927	0.6
161.04445	5.9
179.05566	0.4
205.07123	0.5
249.06154	6.0
283.04938	18.6
283.26404	17.7
284.05228	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	37.1
65.03839	1.2
67.05419	0.7
69.02480	0.7
69.03327	1.1
69.38336	5.7
69.38749	1.5
71.01270	1.1
72.05603	0.7
73.26677	0.7
83.04887	1.2
93.03375	3.6
98.19753	0.6
109.06449	0.7
111.04391	2.6
121.06487	0.7
131.04903	2.8
135.11691	0.7
149.06017	1.7
159.04474	1.0
171.10208	1.8
172.93419	0.6
177.05519	1.8
179.09128	1.3
179.10709	25.8
180.10971	1.2
209.11725	4.8
221.11809	0.9
223.09781	1.1
223.13445	1.2
239.07108	1.6
239.12807	1.9
241.10779	1.1
247.13377	2.2
252.07921	1.5
253.04985	0.9
253.08705	4.0
264.07715	0.8
265.08676	5.1
265.14383	2.8
283.06375	1.6
283.09714	6.8
283.12567	1.1
283.26425	100.0
284.09964	1.0
284.26773	3.9
291.68555	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11675	0.8
57.03329	1.4
58.18843	0.7
59.01246	5.4
66.43232	0.8
70.22218	0.8
70.58965	0.7
71.34608	1.8
73.78106	0.7
81.98050	0.7
113.09606	2.7
163.11354	0.9
181.12268	32.8
182.12643	1.6
263.20135	30.0
264.20535	1.9
281.21219	100.0
281.24402	4.2
282.21573	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	281.2125
Annotation	3-Epilitsenolide D1
Peak:m/z	Relative Intensity
57.03321	1.2
59.01238	5.3
71.01254	2.5
71.34644	3.2
81.56207	1.2
96.72684	1.2
99.08025	1.6
117.76618	1.2
118.43153	1.2
155.10722	1.7
171.10202	5.8
181.12210	1.8
183.10208	17.1
195.13841	13.9
263.20163	23.9
264.20682	2.3
281.21213	100.0
281.24780	23.6
282.21606	10.7
282.24734	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	281.2484
Annotation	Vaccenic acid
Peak:m/z	Relative Intensity
69.99377	1.3
76.26249	0.3
88.27635	0.2
137.04214	0.3
281.24835	100.0
282.25186	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	282.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24771	0.3
59.01261	0.7
66.00866	0.6
68.19942	0.4
71.28587	0.6
74.02340	3.9
82.04015	1.4
83.01063	0.3
96.04445	1.6
103.91290	0.4
107.03513	4.6
108.01918	6.2
116.03435	1.2
123.04349	0.4
126.02985	11.2
133.01454	36.3
134.01842	1.3
150.04117	100.0
151.02538	0.9
151.04610	1.7
152.20096	0.3
176.05576	6.7
282.08344	32.7
283.08612	1.7
283.26428	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	282.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45538	0.7
52.02140	0.6
59.01230	3.3
60.07722	0.7
66.03329	1.3
70.02868	3.5
71.01230	2.4
73.02808	3.5
73.81830	0.7
74.02344	71.1
78.03333	0.7
80.47733	0.6
81.02061	1.5
85.02837	0.8
86.02332	2.0
88.96915	1.5
93.03314	3.0
94.02855	3.9
95.04897	2.0
96.04428	28.1
98.02351	1.8
101.02308	1.4
107.04950	1.2
108.01897	1.7
112.03926	2.1
114.01847	0.9
114.05468	0.9
115.02660	1.2
116.03415	19.6
122.02380	0.7
123.04414	6.6
126.02943	1.0
126.04671	0.8
133.01465	5.0
150.04108	15.0
151.02541	5.1
158.04483	6.5
158.05894	1.5
176.05566	100.0
177.05891	2.4
180.06531	1.0
200.07182	0.8
235.32983	0.7
264.08704	0.8
282.09875	55.1
283.10199	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1758
Annotation	Nardosinanol D
Peak:m/z	Relative Intensity
54.51935	1.6
57.03315	5.9
59.01248	32.2
65.74713	1.8
67.01764	1.9
67.23481	1.6
67.50666	1.5
69.03323	10.0
69.26427	16.6
71.01246	4.3
71.04874	4.7
79.01810	1.8
81.03326	4.8
83.04882	6.9
83.60056	1.4
85.02850	11.9
85.06458	1.7
87.04406	2.1
91.05411	5.2
93.03326	5.2
93.07005	2.1
95.04836	2.1
96.95892	2.4
97.02830	29.5
97.06469	5.8
101.02326	4.6
104.65847	2.0
107.04906	4.2
109.06475	25.5
111.00747	7.4
111.04388	2.0
111.08044	3.7
113.02318	3.9
117.79757	1.6
123.04441	2.7
123.08015	2.4
125.02354	9.8
125.05926	2.0
125.09618	5.7
134.03703	2.5
137.02328	4.8
137.09554	10.1
161.04462	2.1
163.11198	4.8
165.12724	4.2
167.10703	19.4
171.10178	33.6
172.10397	2.0
173.00758	2.8
181.12254	6.3
185.11720	3.5
193.12228	6.6
195.13805	2.2
201.16513	2.5
207.13730	1.9
209.15359	5.2
211.13310	5.9
219.17538	19.8
221.11696	3.0
223.13191	3.0
237.18465	2.6
239.12843	2.7
245.15453	5.3
263.13400	3.6
263.16504	100.0
264.16714	7.0
281.13971	9.4
281.17551	97.7
281.20822	2.9
281.24802	5.3
282.17871	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	281.1396
Annotation	Carolenalol
Peak:m/z	Relative Intensity
50.28051	2.6
55.01748	2.9
57.03320	18.6
59.01247	10.0
65.03823	6.1
69.03341	3.8
69.61134	14.2
69.61554	8.2
71.01240	3.1
74.51612	2.8
83.04893	19.6
86.89891	3.0
87.00747	25.5
93.03325	7.0
95.04909	5.6
97.02855	3.0
105.01832	15.8
109.06502	4.0
111.04403	9.8
111.08027	7.1
116.08292	2.8
117.03355	2.7
119.04902	5.9
121.06467	12.7
122.66451	2.6
123.08063	39.4
134.03627	23.2
137.09660	3.5
139.07573	6.4
145.10136	5.5
147.04391	4.5
149.09674	3.0
151.07565	4.5
155.08578	3.0
169.08685	2.9
169.10110	5.3
171.11726	43.5
185.09676	4.0
189.12805	15.3
193.04991	24.6
201.12790	17.3
207.13818	10.6
219.13844	7.0
237.09392	3.1
237.14938	57.5
238.15222	6.7
281.08243	10.8
281.13962	100.0
281.24802	22.3
282.14304	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	281.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.9
59.01249	40.7
65.03834	0.7
68.02394	0.8
68.36516	0.6
69.03327	1.3
69.90163	1.4
69.90562	2.8
70.49706	0.6
71.01258	2.4
71.04907	1.1
73.02818	0.8
74.21377	0.6
75.13657	0.6
79.95605	1.2
81.03333	1.9
83.04898	13.6
85.02815	1.9
86.93188	0.6
88.70663	0.6
89.02323	0.8
95.04919	0.8
97.06467	1.8
99.04377	0.8
101.02338	1.7
111.08046	2.6
113.02265	1.2
113.05955	1.1
121.02827	1.0
121.10114	4.5
121.33495	0.7
123.08015	1.1
125.09587	1.6
129.01007	0.6
135.04399	2.7
137.02353	0.8
137.09683	1.0
143.07043	1.8
147.11659	0.7
151.11188	0.7
153.09123	1.0
153.12631	0.6
155.07014	1.4
157.08472	0.7
159.06520	2.5
161.04463	0.7
165.12730	0.9
169.08678	3.9
169.12233	3.2
171.10185	1.5
179.10724	0.7
181.12210	3.4
183.10168	1.1
193.12163	1.1
195.13818	1.7
197.11769	37.6
198.12071	1.8
199.13237	1.0
201.16409	1.1
209.15396	0.8
211.13333	3.5
219.13966	1.1
219.17506	1.3
223.04312	2.0
223.13326	1.9
235.17033	2.5
237.05879	9.3
237.14879	4.9
237.18489	1.5
238.06581	2.3
239.12947	0.9
245.15495	0.8
251.04878	1.1
251.07445	13.4
252.08109	4.2
263.16519	11.4
264.16812	1.0
264.81827	0.6
265.08948	1.2
266.15274	1.4
267.55148	0.6
270.05789	1.8
281.12152	100.0
281.17340	28.7
281.21027	4.3
281.24774	2.7
282.12460	8.1
282.17877	2.7
284.07217	4.3
298.08765	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1395
Annotation	Lactarolide B
Peak:m/z	Relative Intensity
57.03322	0.7
59.01249	2.2
63.66465	0.4
65.45551	0.4
71.37609	0.7
85.02814	1.4
86.29346	0.4
93.03320	0.6
96.95892	0.6
111.00744	3.5
133.02852	0.7
134.03622	0.5
134.75702	0.4
137.02336	0.6
154.99710	0.8
173.00836	1.1
175.35674	0.4
178.02597	0.6
181.12294	0.7
193.15926	3.9
200.20494	0.5
209.15408	100.0
210.15749	5.3
211.13362	1.3
219.13902	1.5
237.14937	9.7
281.01324	0.8
281.13956	19.0
281.24820	0.7
282.14301	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	281.1395
Annotation	Porellapinguisanolide
Peak:m/z	Relative Intensity
57.03329	6.2
57.20103	0.8
59.01251	21.8
71.01246	1.4
71.13336	1.9
83.08547	0.7
93.03342	2.8
116.99384	0.8
119.04914	0.9
119.08542	8.5
121.02821	1.9
121.06503	2.2
123.04541	1.1
125.05926	0.8
137.09624	40.3
138.09946	1.4
144.54915	0.9
151.11244	0.7
161.09633	1.8
173.06052	0.8
177.12781	8.5
182.98921	0.9
221.11816	6.6
223.13400	2.9
235.07877	1.1
235.13426	4.9
237.05727	0.9
237.09171	2.0
239.12862	100.0
240.13181	6.9
253.08682	1.6
253.14346	1.7
254.85439	0.8
263.07187	0.9
263.12930	2.1
281.08273	9.9
281.11252	1.8
281.14011	8.9
281.24890	5.9
282.08334	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	6.8
59.01252	25.0
59.93840	0.4
60.66560	0.4
71.01239	1.4
71.09455	0.4
85.02848	0.5
98.20540	1.1
119.08556	5.3
121.06486	3.0
129.50719	0.4
135.08047	0.5
135.73436	0.4
137.09619	46.6
138.09975	2.1
149.09624	1.8
151.11218	2.2
161.04507	0.5
161.09702	2.2
162.63951	0.4
167.14310	0.9
177.12758	5.3
193.12242	0.6
221.11775	6.4
237.09247	1.2
239.12852	100.0
240.13182	5.0
281.08328	0.7
281.13879	3.5
294.80316	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	39.0
71.01260	39.5
71.10024	16.9
72.67809	9.4
72.99160	9.9
74.02358	79.1
75.00754	10.6
78.95778	16.9
79.95618	9.7
85.02835	30.1
87.00742	7.9
88.96915	18.6
89.02322	11.3
93.77386	9.1
96.04427	36.3
96.95853	13.2
98.02353	15.7
99.77958	8.6
101.02317	41.0
110.02358	10.6
111.01886	15.7
113.02306	25.2
116.03423	23.9
120.24410	8.8
133.01453	27.6
133.04961	39.8
145.06032	16.1
150.04120	100.0
176.05534	83.7
197.03082	8.4
243.06172	21.5
281.08676	23.6
281.11398	12.8
281.24539	8.6
282.09668	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.7
65.03844	0.6
70.24893	1.6
70.25298	1.1
79.41332	0.4
93.03336	39.6
94.03680	1.3
107.04935	0.9
108.02061	1.5
108.51216	0.5
109.02841	1.5
111.56303	0.5
112.60905	0.5
117.03361	0.9
119.04899	1.5
121.02851	1.3
123.04451	1.0
130.04152	2.3
131.04933	3.4
133.02852	1.3
134.03665	1.6
135.04420	2.3
143.04938	6.8
145.06548	0.7
147.04466	0.7
158.03630	0.6
159.04401	2.5
161.06033	0.9
175.03922	0.8
187.03979	1.2
188.04715	1.2
191.08524	1.0
193.06575	1.0
195.07973	0.7
207.08060	1.2
208.08838	0.7
209.05984	0.9
209.09645	2.0
209.15381	0.8
210.06784	0.6
219.08165	4.8
221.06110	0.9
222.06833	1.5
223.13268	1.0
234.06816	0.7
235.07608	8.8
236.08366	11.1
237.09174	100.0
238.09521	7.5
238.11769	0.9
245.11830	0.6
246.54764	0.5
253.04939	0.6
253.08655	1.0
263.07098	4.8
263.13101	0.5
281.08185	47.8
281.24899	1.2
282.08606	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	281.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	0.9
58.17755	0.8
59.01245	2.4
59.44769	0.8
65.03802	0.9
69.78286	3.9
69.78705	1.8
71.01231	1.0
74.11916	0.9
93.03335	43.1
95.04888	1.5
98.85064	1.0
106.04094	1.2
107.04941	5.2
109.06506	1.0
111.08849	0.9
117.03362	2.6
119.04948	2.5
121.02834	3.4
123.04405	2.8
130.04128	4.1
131.04944	7.5
133.02885	1.8
135.04384	1.7
137.09607	1.7
143.04950	6.8
147.04395	1.7
151.03908	9.5
191.08575	1.3
193.06625	1.2
195.08141	1.3
202.96342	0.9
206.04492	1.2
206.07275	1.4
207.08066	4.1
208.08893	1.3
209.06090	1.3
209.09734	1.3
210.06824	1.1
219.08170	4.3
221.05992	2.5
222.06712	2.3
223.07628	2.9
223.13324	3.5
232.02515	1.0
232.44534	1.0
233.06004	2.7
234.06792	3.9
235.07611	14.3
235.13370	7.5
236.08380	10.9
237.09167	100.0
238.09496	7.1
239.12863	3.0
245.11818	2.1
252.07956	1.3
253.08638	2.2
253.14458	1.8
263.07114	13.2
263.12830	4.3
264.07623	1.0
281.08203	64.6
281.13901	4.0
281.24893	10.5
282.08594	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	281.082
Annotation	Cryptocaryone
Peak:m/z	Relative Intensity
56.50468	0.6
59.01239	1.8
70.84953	1.4
83.04893	2.1
85.02814	0.7
93.03329	4.6
95.01254	1.2
97.06469	0.7
106.04124	1.3
107.04917	3.2
108.02081	1.1
109.02815	5.6
111.04414	7.9
117.03346	8.1
119.04926	1.0
121.02847	2.0
123.04427	3.4
125.09609	1.6
127.32714	0.6
129.03386	3.1
130.04141	49.4
131.04930	56.3
132.05247	2.2
133.02884	1.1
134.03679	0.7
135.04445	1.5
135.44382	0.6
143.04871	1.7
145.02853	16.0
147.04399	0.7
183.09425	0.6
209.11832	0.8
219.13805	1.2
223.13364	1.2
232.33691	0.6
235.07671	1.1
235.13506	1.0
236.08356	1.4
237.09172	100.0
238.09523	8.5
245.11859	3.0
263.12878	8.2
281.08127	4.0
281.11096	1.1
281.14023	6.6
281.24872	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	281.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86054	0.4
59.01236	0.3
65.03832	0.4
69.03322	0.5
69.22835	3.2
69.23247	0.6
74.15217	0.3
93.03338	42.3
94.03679	1.0
95.04892	0.5
100.07126	0.3
102.64288	0.3
103.05421	0.4
106.33339	0.3
107.04891	0.6
108.02077	0.8
111.04408	0.4
117.03355	1.3
119.04919	1.2
121.02817	1.2
123.04449	0.5
130.04135	1.1
131.04913	1.1
143.04929	6.3
147.04416	0.9
191.08569	0.8
193.06612	0.8
194.07124	0.4
195.08069	1.3
203.10547	0.3
206.07138	0.3
207.08136	1.2
208.08783	0.5
209.06033	1.0
209.09692	1.3
210.06859	0.9
219.08101	4.6
221.05992	1.2
222.06787	0.8
233.05954	0.4
234.06807	0.9
235.07611	11.4
236.08383	10.6
237.09178	100.0
238.09502	8.7
245.06012	0.4
253.08795	0.6
263.07111	7.7
263.12982	0.4
264.07538	0.8
281.08200	41.5
281.24774	1.4
282.08533	3.5
288.80185	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	3.1
61.61479	1.8
69.53798	13.2
72.00789	1.9
74.02347	100.0
78.95780	2.2
93.03374	2.3
98.20693	1.9
98.81456	1.9
125.79749	2.0
130.04097	3.0
131.04880	6.8
132.05264	6.1
147.04449	13.8
164.07091	26.6
222.07672	75.9
223.07968	3.5
239.12845	5.1
262.09610	2.4
280.11026	17.8
280.23679	2.3
281.08160	3.2
281.11469	1.9
281.24850	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	281.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98372	0.5
59.01238	1.2
69.48148	1.2
69.48570	3.9
72.99171	0.9
84.76228	0.5
87.00746	18.6
89.03829	2.6
105.01820	8.1
117.03352	9.5
119.11504	0.6
134.03627	84.7
135.03949	3.6
137.02304	2.6
149.05995	8.8
151.02533	0.8
160.01479	1.0
163.03896	0.7
175.03902	1.1
178.02606	4.6
193.04985	100.0
194.05257	4.3
210.30721	0.6
254.82527	0.6
281.06677	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2329
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.01251	1.9
69.62901	0.4
71.01264	0.5
71.15569	0.7
93.96115	0.4
96.95892	4.3
113.09629	0.4
167.79878	0.4
171.85127	0.4
172.03925	0.4
179.54350	0.4
242.31580	0.4
264.09674	0.4
265.07397	1.2
279.16498	3.9
279.19992	3.1
279.23285	100.0
280.09903	0.7
280.20322	0.7
280.23615	8.7
294.46344	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2329
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.58574	0.6
70.33469	2.7
133.62994	0.7
142.65094	0.6
144.76797	0.6
157.04208	0.6
197.05721	0.6
209.30458	0.8
275.82339	0.7
279.23291	100.0
280.23636	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	279.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17162	0.3
59.01253	0.8
69.28890	3.8
71.01239	0.3
74.51690	0.3
98.19827	0.6
110.07001	0.4
114.88797	0.4
131.43770	0.3
263.10092	0.4
279.23297	100.0
280.23621	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	279.2329
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
50.61623	0.2
55.62413	0.2
59.01238	0.8
69.63903	1.3
96.86290	0.2
143.27185	0.2
227.53731	0.2
232.94266	0.2
261.22186	0.5
279.23288	100.0
280.23645	9.5
280.26776	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	4.5
69.34374	12.3
69.34796	6.4
70.02856	3.5
71.01254	6.9
72.00777	16.3
76.21923	2.0
82.02838	2.6
83.42607	2.0
85.01598	1.8
91.05399	4.7
95.14512	1.7
96.00803	4.8
98.19707	3.6
99.00767	6.9
99.30173	1.9
103.07351	1.7
109.01582	95.5
110.01933	2.3
114.01861	4.2
116.45634	1.9
118.06514	10.2
142.28851	2.1
147.04430	34.5
148.07639	3.1
164.07092	100.0
165.07410	3.8
174.09120	5.5
176.07094	17.0
200.07106	6.1
218.08073	3.8
220.06168	3.0
244.06123	72.2
245.06525	4.3
262.07162	13.9
265.89743	2.3
280.08047	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	279.1965
Annotation	Chabrolol B
Peak:m/z	Relative Intensity
51.08144	0.7
51.69975	0.6
59.01258	3.8
68.02384	1.0
69.03320	1.8
69.69157	4.8
71.01243	1.6
79.13083	0.6
85.02808	0.8
89.02283	0.7
97.57746	0.6
101.02328	0.7
111.08031	1.7
120.45808	0.6
126.51688	0.7
131.58377	0.7
165.12834	1.2
177.62015	0.7
181.12273	28.0
182.12653	1.6
191.10883	0.7
191.14372	0.7
197.11684	1.2
209.11778	13.8
210.12219	1.4
214.11964	0.9
217.19533	2.0
225.56244	0.7
242.11536	3.0
251.19948	0.9
261.18594	13.6
262.18900	1.6
279.19653	100.0
280.20016	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	279.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27176	0.4
52.41395	0.4
57.05812	0.4
59.01226	0.8
65.23853	0.4
70.91743	0.7
70.92109	0.9
78.58501	0.5
89.37383	0.5
112.45305	0.4
114.75166	0.4
189.80370	0.4
193.56511	0.4
211.98605	0.4
279.23270	100.0
280.23669	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	279.2326
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
54.40386	0.3
59.01233	0.8
70.32790	1.3
71.01237	0.3
72.39275	0.3
96.95905	0.8
123.60893	0.3
133.34628	0.3
175.43581	0.3
258.74872	0.3
261.22308	0.5
279.23279	100.0
280.20334	0.4
280.23627	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	279.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	3.0
59.01246	3.4
59.29630	0.4
68.91901	0.5
71.01244	0.6
71.06766	0.9
83.04895	1.2
84.62167	0.4
90.34624	0.5
96.95870	3.5
99.08031	22.5
100.08346	0.7
102.19640	0.5
104.56594	0.4
107.08569	0.5
109.06445	1.3
118.00514	0.4
123.08057	1.2
123.09048	0.4
125.09603	2.4
135.11591	0.5
137.93370	0.4
149.09532	0.6
167.10689	2.7
171.10213	0.9
177.12715	1.3
179.10657	1.9
195.13840	3.7
223.16956	0.4
235.16998	2.0
235.20564	2.7
251.19997	0.6
261.18613	2.6
276.15414	0.5
279.19635	100.0
280.19986	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	279.1603
Annotation	Acrostalic acid
Peak:m/z	Relative Intensity
51.00241	0.8
57.03308	1.2
59.01255	100.0
60.01569	1.2
65.03831	2.0
65.20161	0.7
66.39707	0.7
66.52000	0.8
67.76026	0.8
71.01274	0.8
71.04892	2.1
71.06316	2.2
73.13731	0.8
77.38227	0.8
78.35002	1.0
83.04900	0.9
90.06432	0.7
91.98590	0.9
93.03339	2.2
95.04913	1.1
96.95898	1.6
97.06459	4.1
109.06473	1.7
117.34895	0.8
121.02823	1.8
121.06470	2.2
123.08035	0.9
131.04930	3.0
157.08656	1.9
163.11211	15.6
165.12759	1.0
173.06006	1.4
175.11209	1.4
176.60735	0.7
177.94012	1.5
179.34164	0.8
181.08704	1.1
192.94623	1.9
207.10210	3.7
217.15918	2.7
219.13947	1.4
235.17200	0.9
251.10869	1.0
261.09235	1.0
261.14944	1.5
279.06537	1.9
279.10226	5.0
279.12949	1.2
279.15979	23.6
279.19138	0.9
279.20255	1.1
279.23203	9.3
280.16370	2.2
280.23846	0.8
297.51465	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96732	0.5
57.03313	1.1
59.01249	2.6
64.37769	0.6
65.35664	0.6
68.02381	0.7
71.01229	0.7
71.57635	0.7
71.58015	0.8
73.32237	0.5
82.60285	0.6
85.02779	0.7
96.95887	4.8
109.06433	0.7
111.08054	1.9
113.09595	2.7
114.27286	0.6
166.09717	0.6
169.38284	0.6
170.87280	0.6
177.12756	2.7
223.16980	7.5
235.17043	6.4
235.20596	5.0
251.20142	18.5
252.20448	1.3
261.18591	17.0
279.19644	100.0
279.22958	8.6
280.19940	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	279.1965
Annotation	Chabrolol B
Peak:m/z	Relative Intensity
57.03312	1.7
59.01242	7.7
68.02422	1.4
69.92587	6.4
71.01277	2.3
71.04881	2.1
74.68362	1.1
83.04912	1.6
96.95872	1.3
98.19837	1.5
98.20403	2.6
101.02306	1.7
107.08548	24.7
127.11154	1.4
145.06468	1.4
171.10175	58.6
171.11644	2.8
172.10544	1.8
173.05971	2.5
177.09084	1.3
183.13773	1.9
217.19482	6.6
221.15396	34.4
234.05472	1.5
235.16956	8.6
249.08257	1.4
261.18561	100.0
262.18954	7.4
279.16516	3.9
279.19656	82.8
279.23001	8.7
280.20007	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	279.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	5.1
59.01263	1.4
63.23273	0.5
64.67413	0.5
69.03339	0.9
71.04917	1.1
71.57035	0.8
71.57451	0.5
80.02616	0.5
81.03362	0.8
83.04925	1.5
89.03899	0.5
93.03335	7.5
95.04916	2.4
97.02845	2.2
97.06445	1.0
99.04419	0.7
103.05420	1.9
107.04935	1.2
108.02060	1.5
109.02840	3.0
109.06486	3.7
111.04416	2.3
117.03362	2.5
119.04903	2.0
119.08544	1.3
121.02895	0.9
121.06504	2.5
122.03629	8.3
123.04515	1.2
124.05194	9.8
125.05994	3.7
130.04140	20.0
131.04929	77.0
132.05257	2.6
135.04416	0.9
136.05183	0.7
137.06003	6.9
139.07550	37.7
139.67213	0.6
140.07883	1.7
143.04910	0.7
145.06483	1.8
145.10147	0.7
146.08153	4.1
147.04404	1.0
147.08057	2.1
148.05096	0.6
149.06004	13.3
155.04903	1.9
163.07542	1.0
163.11143	1.4
167.04927	2.0
168.07863	10.9
169.08569	0.9
171.08057	1.8
173.05984	2.5
175.11119	1.1
177.09198	0.6
187.11235	8.1
189.09019	0.7
190.09885	1.8
202.07816	0.7
205.12291	15.2
206.12692	0.9
217.06531	1.5
217.12033	2.1
218.07219	0.8
222.06853	0.7
223.13342	0.9
230.07341	0.9
231.08130	2.9
232.08875	1.5
233.09695	3.3
233.11746	1.0
235.07538	0.9
235.13307	2.4
242.07387	0.8
243.08228	1.2
245.06039	1.4
246.06712	1.0
249.09079	1.8
251.10379	0.6
251.12904	0.9
258.06714	0.9
259.07617	7.0
260.08322	4.6
261.09164	19.1
262.09500	1.8
264.07721	0.6
277.08670	2.0
278.09351	1.5
279.10184	100.0
279.23270	3.0
280.10590	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	279.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00458	2.9
59.01247	52.8
69.10239	1.6
71.01247	28.0
71.04883	7.8
71.05519	4.2
76.06116	1.8
85.02821	6.4
89.02312	31.0
95.01238	2.1
99.04396	23.0
101.02319	19.3
105.01807	2.2
113.02316	15.1
115.91914	2.1
117.05459	44.1
119.03393	12.0
131.62653	1.8
159.49966	1.8
169.71234	1.8
177.24153	1.7
179.05377	2.2
179.57384	1.7
188.69066	1.9
190.35458	1.8
206.53024	1.6
212.73520	1.7
224.61588	1.8
279.10825	100.0
280.11191	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	279.1083
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
57.03313	1.0
58.00458	2.9
59.01250	54.4
67.81905	0.7
70.76821	2.1
71.01254	29.9
71.04894	8.2
72.99166	3.1
73.02810	0.9
75.00723	1.4
83.01257	1.4
85.02817	6.0
87.00757	1.7
88.06271	0.7
89.02315	32.5
93.54008	0.9
95.01268	3.0
99.04395	24.5
101.02316	21.6
105.01800	3.1
107.17011	0.7
109.82620	0.8
110.02353	1.5
111.01859	2.5
113.02315	10.8
117.05458	44.9
118.05769	0.8
119.03388	12.4
128.07002	0.9
129.07420	1.7
131.03397	1.0
131.07025	0.9
143.03400	1.6
154.14897	0.7
159.06535	2.2
160.02541	1.2
161.04494	1.2
168.16621	0.7
172.06026	1.2
173.06393	1.0
177.16447	0.8
179.05563	3.0
179.31386	0.8
243.06178	3.3
279.10837	100.0
279.23065	1.9
280.11197	4.6
285.83731	0.8
297.14136	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1028
Annotation	Galanganal
Peak:m/z	Relative Intensity
59.01253	2.7
65.03829	0.8
66.62078	0.4
70.07690	1.0
70.08106	1.1
77.21973	0.4
86.02152	0.4
89.03847	0.6
91.05412	0.6
93.03349	7.7
96.95907	1.3
102.04649	0.6
103.05415	2.3
117.03352	3.3
119.04909	2.8
130.04152	22.6
131.04933	87.4
132.05258	4.0
143.04964	1.0
145.02840	0.7
145.06534	2.3
146.06900	0.4
147.04448	0.7
149.05992	14.4
149.07187	0.7
150.06328	0.9
155.04976	2.6
167.04942	3.0
173.06004	2.4
186.06807	0.4
190.61226	0.5
192.94630	0.4
198.49425	0.4
202.07765	0.6
205.10197	0.6
217.06563	1.8
218.07344	1.3
219.08099	0.7
222.06889	0.6
230.07298	1.3
231.08147	2.9
232.08900	1.5
233.09686	3.1
235.07616	1.2
242.07355	0.5
243.08163	1.8
245.06099	0.8
246.06837	1.4
247.07689	0.5
249.09177	2.4
250.09644	0.5
251.10748	0.9
257.06113	0.8
258.06943	1.1
259.07660	7.5
260.08423	5.7
261.09210	19.7
262.09625	1.9
264.07574	0.5
277.08707	2.6
278.09326	1.2
279.10278	100.0
279.19720	2.0
279.23071	3.5
280.10617	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	279.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.86774	1.3
60.12893	1.5
65.35876	1.3
66.50629	1.6
71.44424	3.6
87.64976	1.3
93.03341	100.0
94.03683	2.1
103.05413	4.0
117.03345	3.6
119.04920	8.1
121.02800	1.5
130.04140	43.1
130.05109	2.7
131.04955	30.4
133.04979	3.5
135.04427	4.1
143.04939	2.3
144.05690	8.0
145.06503	70.5
146.03632	1.5
146.06844	3.2
149.05963	4.4
157.06522	2.1
163.03908	9.3
167.04807	1.7
173.06017	81.2
174.06366	5.8
176.04681	3.4
179.13589	1.5
185.06000	2.3
186.06767	1.9
200.03598	1.8
207.08096	1.9
231.08012	1.6
233.09622	3.0
235.07440	3.6
236.08353	3.2
245.06111	1.5
249.09216	4.6
250.09926	2.7
251.10759	19.4
259.07651	3.8
260.08276	2.6
261.09167	12.0
272.07446	1.6
279.06680	4.2
279.10196	35.1
280.10544	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1026
Annotation	Magnaldehyde B
Peak:m/z	Relative Intensity
50.65581	1.0
63.71612	0.9
65.03819	2.0
70.02854	1.2
70.54463	3.9
71.03383	0.9
71.04907	2.0
76.58025	0.9
78.95770	2.2
80.80001	1.2
89.03870	4.9
91.05414	2.2
93.03327	1.2
98.62440	1.1
103.05368	1.8
117.03330	1.7
121.02871	1.8
121.06447	1.2
121.83222	1.1
130.04128	19.1
131.04927	92.0
132.05252	4.1
146.08167	8.6
147.04453	1.2
148.08582	1.4
149.06015	7.4
152.99420	1.2
155.04929	1.5
156.05568	1.1
161.43323	1.0
167.04817	1.3
170.03592	2.8
179.78372	1.0
205.06528	1.5
215.08560	4.1
217.06619	5.2
217.11896	1.4
218.07362	1.6
219.47910	0.9
231.08116	11.3
232.08687	1.2
233.09683	8.9
241.06633	7.7
242.07346	25.0
243.08121	80.2
244.08427	6.6
249.09140	1.8
259.07449	2.2
260.08313	3.8
261.09177	60.9
262.09555	5.9
279.10217	100.0
280.10602	10.6
290.91168	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75837	0.4
59.01260	0.6
62.42284	0.3
65.03836	0.7
69.45616	1.4
69.46051	2.1
71.04887	0.5
89.03862	0.8
93.03341	3.6
100.87748	0.3
102.04600	0.3
103.05436	2.3
117.03357	3.4
117.75485	0.4
119.04953	2.1
121.02851	2.8
130.04137	19.4
131.04926	80.8
132.05255	3.2
132.91092	0.4
143.04939	1.3
145.02919	0.6
149.05983	14.2
150.06343	0.6
154.04173	0.6
155.04941	1.3
167.04918	2.1
207.08073	0.5
217.06584	1.6
218.07300	1.3
219.08128	0.5
230.07440	0.6
231.08054	2.2
232.08878	1.4
233.09659	4.3
235.07668	1.2
241.06537	0.5
242.07185	0.7
243.08034	1.3
244.08765	0.5
245.06117	1.4
246.06821	1.1
249.09206	2.1
251.07143	0.5
258.06900	0.9
259.07623	7.1
260.08389	5.0
261.09180	18.3
262.09540	1.4
277.08701	2.1
278.09485	0.9
279.10245	100.0
280.10562	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	279.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54296	0.7
51.05793	0.7
51.62125	0.7
57.21787	0.7
59.01247	5.2
60.00014	0.7
65.31962	0.7
65.36151	0.8
69.54862	6.7
93.03344	100.0
94.03679	3.2
98.35079	0.8
102.04620	1.3
103.05424	4.5
109.06456	1.5
117.03366	3.3
117.07030	1.1
119.04916	3.4
121.02864	1.2
123.08065	1.7
130.02708	1.2
130.04150	48.1
131.04942	75.7
132.05266	3.4
134.03654	1.4
135.04442	2.7
135.08020	1.1
143.04930	3.2
144.05699	6.2
145.06502	62.1
146.06856	2.5
147.04427	2.7
149.05991	11.0
149.09528	0.9
151.11234	0.8
153.80461	0.9
155.04958	2.8
157.06506	3.6
159.04420	1.0
163.11208	1.9
166.41220	0.8
167.04990	2.6
173.06009	71.1
174.06334	3.7
176.04755	2.7
185.05965	1.9
186.06885	1.2
189.12746	1.3
209.05907	1.1
217.06577	1.0
217.15916	1.4
218.07217	1.0
219.08179	1.4
221.11835	2.2
223.46826	0.9
230.07362	1.2
231.08141	2.3
233.09697	4.7
235.07603	3.1
236.08371	2.2
243.08141	2.1
245.06143	1.4
246.06799	2.1
249.09245	4.1
250.09903	1.6
251.10713	13.6
252.11113	1.5
259.07639	6.7
260.08374	4.6
261.09195	17.9
261.11743	1.6
261.15070	1.8
262.09506	1.5
264.07874	1.4
277.08865	1.5
279.10281	71.8
279.16034	4.2
279.20764	11.4
279.23419	4.6
280.10583	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	279.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
64.57742	0.9
65.03829	1.2
66.89854	0.9
69.40652	5.9
69.41068	2.8
71.01239	1.1
89.03830	1.4
93.03331	7.2
95.04908	1.0
96.32990	0.9
97.73779	0.8
117.03321	1.6
119.04931	1.3
121.02827	1.5
130.04135	14.2
131.04933	44.2
132.05263	1.8
145.06470	3.1
146.08130	1.1
149.05995	6.2
173.05966	4.2
217.06564	1.6
218.07201	1.1
223.07503	1.3
231.08150	2.5
232.08833	1.6
233.09634	4.7
234.05464	1.0
235.07585	2.3
242.07292	5.6
243.08142	17.6
244.08492	1.5
249.09398	1.4
251.10622	1.1
259.07578	3.0
260.08365	3.5
261.09158	20.0
261.11685	1.8
262.09558	2.1
277.08685	1.1
278.09604	1.3
279.10251	100.0
279.23221	8.1
280.10611	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	279.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47328	2.4
59.01257	4.8
69.51736	20.9
71.04886	3.0
75.48836	2.9
78.95773	2.7
90.09905	2.3
93.03335	8.8
95.04949	2.9
97.02790	2.5
115.03887	34.0
119.04919	82.1
120.05229	3.5
122.03603	4.8
127.31496	2.4
130.04129	4.4
131.04895	8.7
133.04948	7.9
137.05978	6.2
139.07570	5.4
152.99442	3.3
163.03925	100.0
164.04280	4.2
177.12715	2.7
182.10022	3.3
184.54138	2.3
188.11812	2.6
205.12228	8.5
279.10147	11.7
279.23282	9.9
281.57947	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	279.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24233	0.7
56.26963	0.7
59.01249	0.7
59.78392	0.7
62.27562	0.6
65.03840	1.2
69.75477	3.6
93.03338	100.0
94.03690	2.4
98.20462	1.6
102.04619	1.0
103.05425	4.7
115.04126	0.6
115.05442	1.0
117.03339	2.3
119.04889	3.3
122.30164	0.6
129.98676	0.7
130.04141	52.5
131.04933	65.8
132.05243	2.7
134.03644	1.2
135.04427	2.5
141.18680	0.6
143.04912	3.3
144.05695	5.5
145.06494	54.1
146.06841	2.2
146.08095	0.8
147.04419	0.9
149.06006	11.4
155.04941	2.4
156.05748	0.9
157.06502	1.7
167.04979	2.7
172.05142	1.1
173.05994	71.8
174.06355	3.4
176.04723	2.2
181.54570	0.8
185.05991	2.1
186.06786	1.0
217.06551	1.3
218.07356	1.2
219.08038	0.9
231.08119	2.7
232.08919	1.4
233.06075	0.9
233.09723	3.8
235.07657	2.2
236.08363	3.5
243.08084	1.4
245.06055	1.6
246.06880	1.6
249.09273	4.7
251.10738	15.2
252.11143	1.3
258.06995	1.2
259.07626	7.4
260.08356	4.9
261.09180	18.8
262.09631	1.0
279.10257	79.7
280.10556	5.9
294.45923	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.2
68.02409	100.0
69.02116	0.5
69.02728	0.7
71.01266	0.1
85.02790	0.2
100.59002	0.2
103.35999	0.1
109.59858	0.1
126.99465	4.1
138.06624	1.3
143.54019	0.1
155.76353	0.1
167.06931	0.2
197.03696	1.5
217.15965	0.2
227.65820	0.2
234.00656	0.2
277.21713	1.0
278.06927	0.4
278.19122	0.2
278.22061	1.3
278.91800	0.3
279.16101	0.3
279.23343	0.2
293.95175	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29336	0.7
59.01244	1.1
64.43007	0.6
66.01493	0.6
70.85808	1.6
71.01256	1.2
87.55490	0.6
91.05215	0.8
93.03352	0.8
99.04360	0.8
110.80007	0.6
126.05500	2.7
128.07063	89.6
129.07384	2.1
140.07085	1.6
166.31422	0.7
172.06070	100.0
173.06453	3.6
177.65759	0.7
180.60899	0.6
186.46228	0.8
243.06157	1.5
253.67474	0.7
278.10321	12.9
278.13065	1.1
278.22067	2.6
279.10849	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	278.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
65.55824	0.6
66.00823	0.7
68.02396	3.8
68.60858	0.5
75.35701	0.4
79.27604	0.5
82.01592	0.5
83.01123	6.7
87.00127	0.5
98.20625	1.0
101.05959	50.9
102.06315	0.8
108.00838	0.6
109.06440	0.8
113.67595	0.5
124.07560	1.8
125.07072	1.3
136.01405	1.0
138.07870	0.8
139.06335	1.2
139.08658	0.9
152.08156	1.3
164.08224	0.5
165.07846	6.6
165.09044	1.2
166.09779	1.8
177.08978	1.9
188.09140	0.5
193.02205	1.5
193.08521	2.0
195.13844	0.6
199.15878	0.5
221.07994	2.9
250.15572	100.0
251.15942	5.8
278.08719	7.7
278.15143	4.2
278.18109	0.9
278.22089	1.6
279.23254	3.6
292.49600	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00917	0.9
59.01246	8.0
68.02386	1.3
71.01260	1.1
71.57706	1.3
83.01226	1.0
86.90238	0.9
108.40730	0.8
121.02826	1.2
134.03510	0.9
147.15976	0.9
192.75612	0.9
205.15906	1.4
249.22186	4.4
277.18134	14.6
277.21677	100.0
278.18802	1.3
278.21927	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	277.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	2.9
71.01239	1.1
82.48129	0.7
91.87457	0.7
105.61771	0.7
111.17165	0.7
121.02843	1.0
146.08134	1.9
147.04385	1.0
233.22725	1.1
275.20242	0.9
277.21716	100.0
278.22031	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	277.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56909	0.8
51.80670	0.7
58.01496	0.7
59.01250	7.2
71.28665	1.0
90.19477	0.7
97.35942	0.7
98.89210	0.7
103.12699	0.8
121.02830	1.5
137.20171	0.8
142.95227	1.0
147.04425	0.8
168.08842	0.8
205.15912	1.4
249.22240	1.0
259.20319	1.0
277.18185	10.8
277.21698	100.0
278.22012	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	277.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63559	0.2
59.01250	3.7
71.01248	0.8
71.29306	0.5
73.02795	0.3
76.82935	0.2
83.04894	0.2
87.89478	0.2
88.04724	0.2
127.07555	0.5
135.56671	0.2
147.04419	0.3
196.19449	0.2
205.15808	0.6
233.18991	0.5
233.22639	0.6
255.50375	0.3
259.20737	0.4
275.20120	0.7
277.18411	5.4
277.21704	100.0
278.22052	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	277.2174
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.52649	3.1
59.01276	4.1
71.24503	3.9
71.24857	5.5
72.75000	3.0
101.07969	3.1
106.61993	2.9
126.45802	2.9
154.04892	2.8
176.12843	3.2
236.59915	3.1
277.18561	6.6
277.21725	100.0
278.22110	6.1
284.73129	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	277.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	5.2
62.25677	0.3
64.56217	0.3
65.62092	0.3
66.28587	0.3
69.32658	3.0
69.33067	0.5
71.01268	0.6
77.20050	0.3
79.17245	0.3
83.04881	0.4
87.00841	0.3
98.20496	0.6
127.07590	0.5
129.31876	0.3
165.09485	0.3
205.15948	1.7
233.18947	0.3
233.22685	0.5
259.20422	0.4
277.18265	8.0
277.21701	100.0
278.18579	0.9
278.22031	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	277.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.7
70.92991	0.7
70.93342	0.4
71.01266	0.4
87.99650	0.3
99.24786	0.3
101.19606	0.3
113.08127	0.3
114.48050	0.3
121.02828	0.3
238.06653	0.3
259.20700	0.5
277.21713	100.0
278.22067	8.4
279.63733	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.1
63.32771	0.5
71.03313	1.1
71.03654	0.4
75.91362	0.4
99.79189	0.4
189.67422	0.4
199.57593	0.5
233.22710	0.7
259.20734	0.7
277.21707	100.0
278.22058	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	277.2172
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
54.29044	0.6
59.01241	2.3
71.01264	0.6
71.20142	1.2
72.03491	0.5
72.74590	0.6
73.76123	0.5
86.73199	0.6
92.84646	0.5
109.30034	0.6
151.32191	0.6
182.42297	0.6
196.66383	0.6
233.22853	0.7
277.21707	100.0
278.22058	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	277.2172
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
67.67781	1.2
69.87750	6.9
71.67697	1.1
78.12798	1.1
78.66174	1.0
98.20613	1.2
107.54380	1.2
121.78509	1.3
145.99521	1.1
153.63449	1.2
160.14056	1.1
234.28584	1.2
240.96883	1.4
277.21741	100.0
278.22122	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2175
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
51.15731	0.5
59.01249	7.4
68.02387	0.6
71.01281	0.7
71.57160	0.6
78.55058	0.6
101.05999	0.6
106.74330	0.6
115.03891	1.0
121.02847	5.8
205.15858	1.4
215.90598	0.6
233.19185	1.0
250.15709	1.0
259.20673	0.8
277.14554	3.4
277.18170	11.3
277.21695	100.0
278.18564	1.6
278.22049	8.6
289.08972	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	1.7
69.99540	2.7
97.69096	0.4
205.19487	0.7
233.22380	0.7
254.10722	0.6
275.20074	0.7
277.21701	100.0
278.22055	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1228
Annotation	Pantetheine
Peak:m/z	Relative Intensity
58.02851	10.9
60.29810	2.1
63.09137	1.7
70.02856	12.7
71.01270	2.3
71.04900	22.0
71.12582	3.0
71.12904	2.1
73.10651	1.7
74.02354	2.3
86.87745	2.0
87.02618	1.8
87.05534	10.6
99.04408	5.3
99.05536	9.7
115.05021	2.5
116.07039	3.1
129.05466	2.1
130.03221	7.8
133.04265	3.1
133.06828	22.8
143.04527	47.0
146.08127	100.0
147.05907	5.2
147.08443	3.8
217.11879	27.3
277.12244	53.3
277.21783	6.1
278.12482	3.5
290.44641	1.9
298.58069	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	277.1227
Annotation	Pantetheine
Peak:m/z	Relative Intensity
58.02847	3.0
67.04088	0.2
69.71033	0.7
69.71461	0.7
70.02850	10.6
71.01233	0.4
71.04889	18.5
72.00780	0.9
72.05239	0.3
87.05511	7.4
88.97173	0.2
97.03957	0.6
98.05952	0.3
98.20557	0.2
99.04395	6.0
115.05006	1.8
116.07066	3.8
129.05470	1.7
130.03218	11.6
145.68423	0.2
146.08127	100.0
147.05879	5.7
147.08455	2.9
151.08420	0.2
165.05655	0.2
171.23747	0.2
217.11879	26.3
218.12196	1.2
243.13368	0.6
277.12253	35.7
278.12518	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1228
Annotation	Pantetheine
Peak:m/z	Relative Intensity
58.02847	3.8
67.16426	0.6
69.50935	4.4
70.02856	13.1
71.01236	0.5
71.04893	20.6
72.00769	0.7
72.05247	0.6
72.05875	0.5
78.95792	0.7
87.05516	8.6
97.03930	0.6
99.04397	7.5
115.05013	2.3
116.07059	3.4
117.03340	0.8
119.65589	0.5
121.02846	0.5
129.05464	1.4
130.03235	10.5
131.03587	0.6
136.24736	0.5
146.08136	100.0
147.05894	5.9
147.08459	2.7
163.25395	0.5
217.11888	23.0
218.12228	0.7
243.13405	1.1
277.09668	1.2
277.12268	32.5
277.21548	1.1
278.12598	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1809
Annotation	Fenoksan
Peak:m/z	Relative Intensity
52.20577	0.4
53.30840	0.4
56.20615	0.5
59.01240	1.1
59.25125	0.4
65.22658	0.5
68.02399	1.0
71.34757	0.5
71.57465	0.6
72.86648	0.4
83.04894	0.7
83.11451	0.5
86.55296	0.4
90.86021	0.4
106.04002	0.5
119.04956	0.6
134.07294	0.5
136.02560	0.5
136.08829	1.0
146.08107	0.7
148.08826	1.0
149.09596	0.8
151.11177	13.5
152.91626	1.2
161.09660	0.6
163.11191	1.2
165.11354	0.7
165.12755	12.8
179.14333	0.6
194.92781	2.3
203.14391	0.5
205.15903	1.6
207.13821	0.8
215.18149	0.5
233.15553	0.7
233.19051	15.6
234.19527	0.5
259.16998	6.2
277.18091	100.0
277.21594	12.9
278.18430	8.6
278.21609	0.5
282.31757	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0329
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07571	2.2
61.46275	2.2
63.71315	2.2
69.67617	10.0
69.68038	4.4
78.44374	2.1
78.95781	48.7
86.94426	2.2
96.96842	100.0
119.04916	20.6
125.38792	2.3
128.03384	3.1
162.05481	3.0
259.07352	5.5
277.08310	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	277.0869
Annotation	Ovalitenin A
Peak:m/z	Relative Intensity
56.12662	0.6
59.01250	0.9
65.07078	0.5
71.04887	1.0
71.57645	0.6
93.03347	1.2
96.98431	0.5
117.03359	2.0
119.04922	4.8
121.02843	1.0
135.04448	0.6
136.04704	0.8
143.04935	1.3
146.08121	2.5
147.04422	100.0
148.04764	3.7
171.04445	1.4
190.94890	0.9
194.92786	1.2
217.11964	1.0
219.08095	1.0
221.09572	0.7
229.71909	0.6
230.07390	1.3
231.08028	1.4
233.06140	0.8
233.09842	0.8
234.06796	0.7
235.07672	1.1
247.07643	5.3
248.08269	2.8
249.09230	3.5
259.07706	1.9
260.08414	1.2
275.07159	6.2
276.07953	5.4
277.08701	81.0
277.21698	10.7
278.09052	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	277.087
Annotation	Unknow
Peak:m/z	Relative Intensity
67.42385	0.7
71.15486	0.6
76.56742	0.5
89.03821	1.0
90.06731	0.6
98.20597	0.9
117.03370	1.7
119.04927	5.0
129.03349	0.8
138.70506	0.5
143.04941	1.2
146.08115	1.9
147.04424	100.0
148.04742	3.5
171.04465	1.3
203.70592	0.6
207.08049	0.6
217.11948	0.7
219.08034	1.1
220.08797	0.7
230.07155	0.8
231.08116	1.7
233.06044	1.0
234.06657	0.8
235.07707	0.9
247.07556	5.9
248.08278	2.7
249.09097	4.1
259.07629	1.7
260.08432	1.4
263.81378	0.7
275.07111	6.4
276.07950	5.4
277.08691	85.6
278.08969	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	276.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41649	1.1
59.01252	8.9
68.02385	1.6
71.01251	1.5
83.04872	1.4
97.06427	1.2
108.04434	2.3
115.02866	3.5
119.41692	1.1
124.07577	65.8
125.07879	2.9
126.99427	2.6
138.10242	3.3
143.18326	1.1
148.08688	1.1
151.00589	36.5
152.00955	2.3
154.75616	0.9
164.08223	1.7
164.13957	1.0
173.63196	1.0
177.16476	2.0
192.03262	2.8
202.01700	29.3
203.02003	1.4
203.17642	1.0
205.00439	14.8
216.03271	13.8
231.21101	2.9
232.21492	6.5
246.00665	10.1
248.09528	3.3
258.08005	13.6
275.20163	15.7
276.09048	20.0
276.20477	73.5
277.09515	2.1
277.18216	7.9
277.21689	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	277.0329
Annotation	Unknow
Peak:m/z	Relative Intensity
60.46418	1.9
67.59180	2.8
70.02836	2.4
71.04810	3.3
71.05133	3.3
72.57967	2.0
78.95779	39.4
81.97392	2.6
96.96842	100.0
105.50728	2.1
113.03448	4.5
114.01876	3.7
119.04928	28.4
131.04550	5.3
137.62224	2.3
145.02858	11.3
162.05573	5.6
177.75256	2.5
204.98262	2.2
219.26355	2.3
237.45950	2.7
259.07178	5.8
277.08447	4.5
277.21738	11.3
298.82117	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	275.2016
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
59.01251	6.1
63.75939	1.2
66.17652	1.2
70.25153	4.7
71.01209	1.3
74.16058	1.1
75.28586	1.2
85.02872	1.3
97.82535	1.3
128.33260	1.5
129.51889	1.3
132.57867	1.3
134.03516	1.3
170.01228	1.3
171.18190	1.2
177.16467	1.6
231.17542	1.8
231.21097	7.5
275.02530	1.3
275.09277	1.9
275.15567	2.5
275.20151	100.0
276.20383	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	275.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29484	1.3
59.01259	8.1
69.34650	8.0
69.35085	6.5
77.55870	1.2
113.02277	2.8
127.97650	1.4
133.10832	1.7
154.68726	1.4
163.14899	2.0
177.16399	3.1
208.79996	1.5
231.21097	14.5
233.46243	1.6
257.18958	3.4
275.20160	100.0
276.20398	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	276.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06102	2.0
56.96844	2.1
59.01240	9.9
59.01497	2.0
59.69581	2.0
68.02408	44.9
71.57073	3.9
78.00765	2.1
93.23796	1.9
104.46803	2.8
108.04436	3.1
110.93793	2.3
115.02910	5.7
124.07574	100.0
126.99455	45.0
127.00304	3.6
129.22673	2.0
132.05551	4.1
133.06366	8.2
138.10231	5.3
148.08713	27.5
151.00592	54.4
152.01007	3.2
174.84703	2.1
191.02438	3.2
192.03270	3.5
202.01733	39.0
205.00404	17.2
216.03308	11.6
218.01135	5.3
219.17424	3.6
246.00755	9.8
248.09491	4.1
258.08029	18.8
276.09085	84.6
276.20309	3.9
277.09354	6.4
277.18103	15.6
277.21719	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	276.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41649	1.1
59.01252	8.9
68.02385	1.6
71.01251	1.5
83.04872	1.4
97.06427	1.2
108.04434	2.3
115.02866	3.5
119.41692	1.1
124.07577	65.8
125.07879	2.9
126.99427	2.6
138.10242	3.3
143.18326	1.1
148.08688	1.1
151.00589	36.5
152.00955	2.3
154.75616	0.9
164.08223	1.7
164.13957	1.0
173.63196	1.0
177.16476	2.0
192.03262	2.8
202.01700	29.3
203.02003	1.4
203.17642	1.0
205.00439	14.8
216.03271	13.8
231.21101	2.9
232.21492	6.5
246.00665	10.1
248.09528	3.3
258.08005	13.6
275.20163	15.7
276.09048	20.0
276.20477	73.5
277.09515	2.1
277.18216	7.9
277.21689	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	275.2015
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.67859	1.9
54.88445	2.1
59.80527	1.8
65.65974	1.8
71.01255	2.6
77.16808	2.0
84.60207	2.5
104.96761	1.9
131.01408	2.1
229.26036	2.8
231.21121	100.0
232.21463	8.9
240.13736	2.0
245.19086	2.2
275.20135	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03100	0.7
57.12321	0.6
59.01242	4.7
71.01236	1.4
94.47617	0.7
98.20537	2.0
156.64328	0.7
162.99004	0.9
173.75186	0.6
177.16431	1.2
184.10912	1.0
231.21115	9.5
275.20142	100.0
276.20471	8.2
278.30374	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79633	1.0
51.86105	1.1
59.01235	5.1
61.36823	1.1
64.97291	1.3
70.16568	1.3
71.01257	1.7
83.40742	1.0
126.99481	1.6
177.16426	1.7
193.96492	1.3
227.89983	1.2
231.21118	6.6
275.20145	100.0
276.09213	2.0
276.20435	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	275.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64939	0.7
59.01252	5.7
70.81394	1.9
71.01247	1.9
83.88527	0.9
91.92786	0.8
116.92716	2.2
134.03627	1.0
138.39879	0.8
177.16393	2.1
192.95805	2.2
195.52168	0.8
203.17886	0.9
216.22818	1.0
219.56561	0.8
231.17578	1.0
231.21089	8.8
257.19104	1.2
275.20142	100.0
276.20480	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	275.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96886	0.9
59.01242	5.1
67.01481	0.9
71.01263	1.0
71.56504	0.9
83.04858	0.9
89.29900	0.8
135.65413	0.9
137.30791	0.9
161.45845	0.9
177.16411	1.5
207.73239	1.0
231.21095	8.6
257.18994	1.0
275.20135	100.0
276.20471	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	275.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55818	0.6
59.01246	5.4
68.02393	1.6
99.04342	0.7
100.30257	0.8
113.05948	0.8
156.76054	0.7
177.16386	2.0
203.17957	0.8
231.21155	10.0
257.18887	1.3
275.20135	100.0
276.20474	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	275.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35161	0.4
55.70010	0.4
57.03325	0.5
59.01265	0.6
67.01755	1.6
71.01278	0.5
71.57822	0.6
71.58205	0.6
73.02791	0.5
78.99229	0.5
84.04417	1.2
85.02840	1.2
85.84013	0.5
95.04892	4.6
96.95915	0.6
105.03336	1.3
108.04414	1.3
109.06523	1.1
110.05977	0.5
117.03338	0.7
120.04473	1.0
121.05226	2.3
122.05991	1.8
123.03133	2.0
124.07620	0.6
133.02863	3.4
134.03633	6.0
134.06021	3.7
135.04427	2.7
136.03958	3.5
136.07585	18.7
137.07907	0.7
138.05490	5.6
138.36984	0.5
140.07086	0.5
146.03610	0.8
146.05997	0.7
147.04350	0.6
148.03796	0.5
150.05518	2.1
152.07079	8.4
159.04408	1.6
161.02292	1.1
161.05896	0.6
161.07117	7.0
162.03157	2.7
172.05299	0.7
173.06125	0.6
178.02670	1.2
184.07562	1.0
187.07578	3.7
188.07031	1.1
199.09952	1.1
201.11281	0.8
202.06340	0.6
203.09413	4.3
213.06645	2.6
214.10361	0.8
214.12346	7.3
227.08224	7.3
228.08969	7.6
231.10237	5.5
232.13332	3.9
241.09856	0.9
242.10577	12.2
243.10887	1.1
247.15462	0.5
257.12936	100.0
258.13321	7.3
275.09305	7.3
275.13895	2.8
276.09521	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	3.4
58.00460	1.4
59.01251	20.5
66.08209	1.2
68.11929	1.4
69.03313	4.8
70.97212	1.3
71.01250	13.7
71.04888	6.3
71.57465	1.8
73.02807	1.5
78.95776	3.1
81.03319	1.6
83.04887	8.3
96.60239	1.3
99.04366	1.4
99.08033	11.0
101.05924	2.8
109.06483	4.0
111.04407	1.6
111.08047	11.4
122.03631	2.2
127.07561	2.5
129.09096	11.7
135.04425	6.0
137.05969	1.8
139.11174	4.0
141.09079	2.2
155.07062	15.4
155.10693	3.0
159.04384	1.6
165.12743	2.2
171.10170	15.9
173.08066	2.1
174.06717	2.5
181.12270	2.2
188.08363	2.1
193.15852	1.7
201.14903	4.1
223.13350	2.7
225.14568	1.5
237.14949	4.6
255.11496	2.2
255.16042	10.3
273.03790	2.8
273.17081	100.0
274.15158	2.9
274.17468	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	273.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.2
58.03489	1.2
59.01251	17.9
69.03329	2.7
71.01256	3.8
71.04887	1.3
71.57669	1.8
71.58029	1.2
73.02811	2.5
74.48851	1.2
78.95780	1.9
83.02378	1.2
83.04887	5.0
84.02007	1.4
85.02814	1.5
85.86131	1.1
86.02356	1.9
93.03342	1.9
95.04952	1.7
97.02852	2.1
97.06461	9.0
99.08039	8.7
105.83620	1.4
109.06429	1.8
111.08038	24.1
113.05973	12.3
113.09605	4.5
115.03891	19.7
115.07516	1.5
122.03519	1.7
125.05962	2.0
127.07551	13.9
127.11140	4.0
129.09106	19.8
137.05948	3.1
137.09605	2.1
139.11176	14.3
143.07025	4.8
155.07056	10.4
155.10701	3.4
157.12219	2.8
169.12260	3.4
173.08089	2.5
175.14835	3.3
193.15932	4.1
229.08623	4.1
231.12314	2.7
255.15872	4.4
273.03842	4.0
273.07581	4.6
273.17068	100.0
274.17508	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0925
Annotation	Prelunularic acid
Peak:m/z	Relative Intensity
59.01249	0.5
60.78458	0.4
65.00157	0.5
83.23509	0.4
85.02821	1.1
105.03304	0.5
107.04900	0.7
122.03635	2.0
133.02824	0.9
134.03607	2.4
135.04431	7.4
136.05162	1.4
146.03609	1.5
147.04340	0.8
148.05191	1.4
149.06049	0.6
151.07568	1.3
158.03619	3.0
159.04411	4.7
159.08025	0.9
162.03123	0.6
171.04388	0.9
172.05209	11.0
173.05986	7.8
174.06496	0.5
175.07408	0.6
183.04478	0.5
187.04105	5.2
187.07573	100.0
188.07922	5.7
201.05530	10.2
202.06293	17.7
203.06654	1.3
203.10628	1.0
204.04214	2.0
213.09123	3.0
215.07074	1.0
216.07796	0.7
231.10233	20.2
232.10509	1.4
242.13210	1.1
245.15422	1.9
257.04559	1.4
257.15491	1.5
275.05652	2.0
275.09271	4.8
275.16492	7.1
276.09555	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	2.4
58.00457	1.1
58.69643	0.7
59.01242	6.7
60.16763	0.8
69.03325	1.2
71.01244	2.0
71.58033	0.8
72.99146	0.7
79.20041	0.7
80.96423	0.7
81.03380	0.9
83.04897	4.4
88.19424	0.8
93.03322	1.7
93.06951	0.9
95.04885	1.4
97.06473	8.2
97.79337	0.7
99.08036	12.4
109.06482	3.4
111.04395	1.1
111.08039	57.8
112.08383	1.6
113.05249	1.2
113.05960	10.8
113.09615	5.4
115.07524	2.3
122.03623	1.9
125.05988	2.3
127.07526	12.2
127.11134	0.9
129.09111	24.8
135.04303	0.8
137.06027	6.4
139.11191	0.8
141.54974	0.8
143.07030	5.9
155.07043	27.5
155.10588	1.1
156.07448	0.8
157.12215	3.1
167.37088	0.7
173.08098	1.2
175.14859	8.5
188.08301	1.3
193.15938	6.9
209.15427	2.3
211.16928	2.6
229.18040	1.6
255.16055	4.8
273.07639	2.5
273.17062	100.0
274.17456	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	273.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06985	0.5
57.03314	2.2
58.00465	0.9
59.01252	9.8
60.99151	0.5
69.03323	1.1
71.01252	7.7
71.04884	7.1
71.09471	1.0
71.09789	0.5
71.91047	0.5
73.02808	2.1
78.95767	0.4
81.03311	0.8
83.04898	3.1
85.06480	1.2
85.63272	0.5
87.04385	1.1
95.04905	0.5
97.06448	2.0
99.04401	0.5
99.08031	15.8
101.05969	2.6
101.09601	0.6
107.04894	0.7
109.06445	1.4
111.04425	1.3
111.08054	5.3
113.05967	0.6
113.09634	1.3
115.03892	4.6
122.03555	0.6
123.08002	0.6
125.05960	0.8
125.09596	2.6
127.07540	4.3
127.11139	1.2
129.05566	2.5
129.09117	11.9
130.09431	0.6
135.04417	7.6
137.09572	0.5
139.11188	11.9
141.09085	1.9
141.98141	1.0
143.10674	1.8
145.04984	0.8
155.10692	2.8
159.04390	0.8
165.12755	0.7
173.08070	0.8
174.06807	2.2
175.07552	0.5
175.14792	1.1
176.15181	0.5
179.10721	0.9
181.12312	1.1
187.09662	1.5
191.14366	0.5
193.15887	4.1
197.11891	0.8
201.13242	0.5
201.14851	2.8
211.13457	0.8
211.16959	2.7
229.08585	0.6
229.18007	0.9
237.14812	1.1
255.15961	17.1
256.16348	1.0
267.49951	0.5
273.17050	100.0
274.15680	5.9
274.17819	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	273.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48518	1.1
57.03316	2.1
59.01252	15.4
71.01254	8.3
71.04888	3.4
73.02821	4.6
80.93468	1.0
83.04918	5.0
97.02799	1.5
97.06468	4.1
98.20667	1.9
99.08033	6.2
101.05950	7.8
109.06501	1.5
111.04351	2.0
111.08041	25.7
113.05963	6.5
113.09606	7.5
115.03898	6.7
115.07507	1.4
127.07538	4.8
127.11174	2.4
129.05450	2.7
129.09103	11.2
137.06012	3.0
137.09607	1.4
139.11111	5.1
143.07048	3.2
145.04951	4.5
150.56830	1.2
155.07071	9.3
155.10651	2.5
157.12280	1.8
175.14815	8.5
176.15193	1.8
193.15921	4.8
209.15392	1.6
211.16910	1.6
229.18018	3.9
255.16013	7.0
273.17072	100.0
274.17422	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1343
Annotation	oscr#7
Peak:m/z	Relative Intensity
57.03315	2.6
59.01242	3.4
59.19598	0.7
66.15287	0.7
69.03329	2.3
71.01237	3.1
71.04888	2.0
71.58222	1.4
73.02824	2.0
73.76994	1.0
75.57827	0.7
83.01261	1.6
85.02818	2.1
85.06466	1.1
95.50523	0.7
97.06505	0.8
97.12463	0.7
99.08056	1.2
101.02311	2.1
108.02075	1.1
108.04438	0.8
109.06476	0.9
112.01543	0.9
123.07994	1.5
125.09605	3.8
127.11165	1.5
130.02582	0.8
136.05125	0.7
141.09079	1.1
143.10744	0.9
155.14386	0.8
159.10120	0.9
161.02448	0.8
167.14272	0.9
171.10168	10.9
183.13794	0.7
185.08247	1.0
193.12335	3.9
201.11241	4.5
203.09233	1.8
209.11794	3.1
211.13332	22.1
212.13707	1.5
213.11320	2.0
219.10254	4.9
227.12788	1.9
229.14406	11.5
230.14810	0.8
237.11273	11.3
255.12363	36.0
255.16020	2.4
256.12717	2.3
273.13452	100.0
273.16980	16.2
274.13791	7.6
274.16949	1.4
292.76489	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.6
59.01242	3.4
59.19598	0.7
66.15287	0.7
69.03329	2.3
71.01237	3.1
71.04888	2.0
71.58222	1.4
73.02824	2.0
73.76994	1.0
75.57827	0.7
83.01261	1.6
85.02818	2.1
85.06466	1.1
95.50523	0.7
97.06505	0.8
97.12463	0.7
99.08056	1.2
101.02311	2.1
108.02075	1.1
108.04438	0.8
109.06476	0.9
112.01543	0.9
123.07994	1.5
125.09605	3.8
127.11165	1.5
130.02582	0.8
136.05125	0.7
141.09079	1.1
143.10744	0.9
155.14386	0.8
159.10120	0.9
161.02448	0.8
167.14272	0.9
171.10168	10.9
183.13794	0.7
185.08247	1.0
193.12335	3.9
201.11241	4.5
203.09233	1.8
209.11794	3.1
211.13332	22.1
212.13707	1.5
213.11320	2.0
219.10254	4.9
227.12788	1.9
229.14406	11.5
230.14810	0.8
237.11273	11.3
255.12363	36.0
255.16020	2.4
256.12717	2.3
273.13452	100.0
273.16980	16.2
274.13791	7.6
274.16949	1.4
292.76489	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0382
Annotation	5-epi-Valiolol 7-phosphate
Peak:m/z	Relative Intensity
55.88414	2.5
57.76847	2.7
70.42234	5.2
70.42630	5.4
78.95775	67.5
78.96219	5.2
87.00060	2.2
96.96838	10.3
110.98413	47.7
126.98730	4.3
128.03413	6.1
145.06104	5.4
168.99825	8.6
201.00322	2.3
241.01147	14.6
273.03806	100.0
273.10864	3.9
274.04248	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	273.077
Annotation	10-deoxygerfelin
Peak:m/z	Relative Intensity
55.33384	0.3
57.03332	0.3
59.00975	0.5
59.01247	3.5
59.25568	0.4
71.01247	0.9
71.04914	0.3
71.20250	0.4
71.57954	0.7
83.04897	0.5
99.08021	0.7
113.96314	0.3
114.41983	0.3
121.28481	0.3
122.03625	0.4
124.05207	0.3
128.32620	0.3
129.09087	1.8
139.11201	0.4
141.09076	0.4
145.04984	0.4
186.06779	2.0
195.13907	0.6
199.13213	0.4
201.09134	1.6
201.15013	0.4
213.05585	1.9
214.06314	20.9
215.06679	1.4
227.07072	0.5
229.08662	100.0
230.08983	6.9
237.14902	1.5
243.71310	0.3
245.04720	0.4
246.05296	13.6
247.05676	0.8
255.12187	0.4
255.15982	1.2
273.03772	0.6
273.07635	1.5
273.17062	6.5
291.76590	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2279
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
51.06413	1.0
57.03323	7.5
58.59177	0.9
62.58829	0.9
71.04901	5.2
71.54124	1.0
83.04869	1.8
84.02042	4.1
90.36823	0.9
105.47054	1.0
119.04893	1.1
125.02333	1.5
138.65758	1.0
156.56143	1.0
158.32475	1.0
197.19016	2.9
215.75685	0.9
216.82658	1.2
223.20602	2.3
225.22195	35.6
226.22484	2.2
235.20602	6.7
253.21721	13.1
269.21237	3.9
271.06100	1.0
271.22781	100.0
272.23099	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94317	0.3
70.71181	1.0
71.01283	0.3
72.30164	0.3
78.95772	100.0
85.02837	0.6
87.00771	0.3
87.35238	0.3
96.96832	6.0
97.91190	0.3
110.98410	72.5
111.98781	0.6
117.17200	0.3
126.98763	0.4
128.03378	0.4
168.77863	0.3
168.99812	0.8
223.00058	0.5
241.01147	20.4
242.01465	0.7
273.03787	92.8
274.04166	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	271.2278
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
50.40253	0.7
51.63398	0.6
57.03313	2.2
59.01254	1.7
59.99370	0.6
68.02403	1.3
70.86011	2.1
71.01245	0.7
71.04891	10.9
85.06453	1.4
95.56863	0.6
108.02016	1.4
109.02852	1.2
114.91644	0.8
125.02354	0.9
141.95731	0.8
183.17459	8.1
197.19014	11.6
209.01816	0.7
225.22183	22.3
226.22672	1.7
235.31587	0.8
253.21783	2.3
260.32205	0.8
269.21161	2.0
271.22775	100.0
272.23114	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	271.2277
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
54.80014	0.6
59.01250	100.0
60.01594	0.7
68.02414	1.2
93.86252	0.7
99.66397	0.7
103.60508	0.7
108.02020	1.0
109.02842	0.9
112.18845	0.8
115.41880	0.8
162.20435	0.6
169.04723	0.7
194.33879	0.7
204.13380	0.7
271.22781	50.8
272.23087	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	271.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37261	0.6
59.35780	0.6
71.57892	0.7
82.16241	0.6
83.04881	0.6
125.02295	1.4
169.86922	0.7
211.20610	2.2
225.22211	2.1
253.21667	1.9
268.83804	0.7
269.21439	0.8
271.22791	100.0
272.23105	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	271.228
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
50.30187	0.7
50.94805	0.8
54.09727	0.7
54.34494	0.8
55.01743	1.1
60.56874	0.7
70.19053	3.7
79.55609	0.8
99.73790	0.7
197.19026	1.2
221.19119	1.8
223.20631	5.8
225.22195	69.7
226.22516	4.6
253.21741	2.3
271.22791	100.0
272.23227	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2276
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
55.21531	0.8
71.57796	0.9
71.58199	1.4
81.03356	0.8
81.44395	0.8
83.04900	1.3
99.08055	5.2
106.23188	1.1
124.54212	0.9
125.02285	1.6
131.32831	0.9
141.78590	0.8
155.14333	5.0
156.12532	0.9
193.67555	0.8
196.71425	1.0
225.22192	7.3
265.99002	0.9
271.06107	1.0
271.22791	100.0
272.23163	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	271.2279
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
69.88141	12.1
69.88544	3.7
89.72726	2.4
125.02345	3.7
129.10428	2.6
223.20616	6.2
223.75372	2.9
225.22208	55.6
226.22636	6.6
271.22791	100.0
272.23099	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	271.2278
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
58.39782	0.3
68.02396	1.0
70.64706	0.3
90.18521	0.3
108.02053	0.6
109.02821	0.5
125.02315	0.6
126.36475	0.3
221.98865	0.3
225.22179	4.1
226.22656	0.3
253.21649	1.5
269.21149	0.8
271.22781	100.0
272.23135	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	271.1916
Annotation	Alismorientol A
Peak:m/z	Relative Intensity
57.03297	0.7
59.01245	0.9
68.02395	0.6
69.27433	1.8
69.27870	2.5
75.65311	0.4
108.02046	0.7
109.02831	0.9
116.92680	0.4
121.06448	0.4
125.02319	0.6
158.26773	0.4
207.17503	0.5
209.19044	56.0
210.19389	3.5
212.04477	0.4
227.18091	0.5
227.20146	1.4
241.05074	0.8
253.18063	39.4
254.18396	2.8
271.19156	100.0
272.19513	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	17.4
59.01250	16.7
61.45749	3.6
69.03328	48.6
70.32862	13.3
71.01250	24.3
71.04889	11.8
73.02824	32.6
78.95775	13.2
81.03328	6.4
83.04914	7.9
84.02055	6.3
85.02824	55.1
93.03329	7.7
97.06465	36.7
99.08038	48.2
109.06466	27.2
110.03587	9.7
111.08011	3.7
113.09602	21.6
123.04401	4.3
123.08010	3.9
125.02311	8.0
125.09589	4.8
127.07578	16.1
127.11184	38.1
137.09599	11.0
138.06728	4.0
139.10144	5.9
139.11185	100.0
143.04483	3.8
149.09593	3.7
151.11131	3.8
152.99507	5.1
153.09122	24.2
154.09814	3.8
155.10664	14.3
157.12238	81.3
167.10704	28.7
171.10229	6.4
174.48566	3.3
185.11772	19.6
186.12546	6.6
191.14337	13.3
197.11760	24.1
209.15349	17.9
227.16466	11.6
233.33504	3.9
235.13420	8.0
253.14375	16.9
271.06003	6.0
271.09720	6.1
271.12497	16.6
271.15366	86.4
271.22729	20.5
272.15909	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77362	1.2
57.03320	6.2
59.01253	7.5
65.99718	1.4
69.03328	18.7
70.98100	3.1
71.01252	15.3
71.04889	2.8
73.02831	9.8
78.95789	3.2
81.03326	3.0
83.04899	4.2
85.02821	83.5
93.03358	3.7
97.02885	1.3
97.06467	3.1
99.04391	2.3
99.08043	8.5
101.39623	1.5
104.08951	1.7
104.60899	1.6
109.06475	9.6
110.03591	2.1
113.09612	8.5
119.04937	1.8
123.08012	2.0
125.02362	3.1
125.09624	2.7
127.07532	2.2
127.11192	9.0
130.13208	1.6
131.08238	1.6
137.09615	2.8
139.11194	30.0
143.04558	1.5
151.11221	1.8
153.09140	7.9
155.10693	4.1
157.12238	15.8
161.32700	1.5
165.09071	3.3
167.10689	11.1
171.10226	4.2
185.11784	31.9
186.12198	2.2
191.14336	9.8
197.11775	35.8
198.12115	1.8
204.95459	1.3
209.11777	5.9
209.15424	4.8
211.07202	1.7
211.13380	3.4
225.22078	1.8
235.13350	14.5
236.13667	1.5
236.78775	1.4
247.01083	1.4
250.64882	1.5
253.14445	25.7
254.14676	1.6
271.06146	2.5
271.12546	26.8
271.15524	100.0
271.22366	7.5
272.15741	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	271.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	6.0
58.02824	0.9
59.01249	27.8
67.01735	1.0
67.38040	1.0
69.03307	3.1
71.01254	18.1
71.04890	5.6
71.57776	1.0
73.02799	2.5
79.95612	0.8
81.03321	3.3
83.04893	5.8
84.01999	1.1
85.02808	4.0
85.06441	4.2
87.04373	0.9
89.54073	0.9
93.02058	0.8
93.03331	4.1
95.04884	2.2
97.02822	1.2
97.06454	9.5
99.04410	1.0
99.08015	3.6
107.08528	1.5
109.02889	1.1
109.06480	6.8
110.03618	1.1
111.04403	12.2
111.08030	13.4
113.06005	1.6
115.03898	5.3
115.07541	1.2
116.67081	0.8
121.06446	3.0
121.10056	1.5
123.04408	1.8
123.07999	1.3
125.02354	1.2
125.05982	2.0
127.07539	13.4
129.05467	2.2
129.09132	0.9
130.08630	12.2
137.05942	4.3
137.09561	1.5
139.07520	7.2
140.07062	1.6
142.23875	0.9
145.04927	4.0
145.87254	0.8
147.04411	6.0
153.05464	1.2
155.07048	17.5
155.10606	1.7
156.07434	1.3
157.08601	2.0
162.92712	1.0
163.11115	1.3
165.05470	4.7
170.50014	0.9
173.08060	3.0
174.01617	2.0
181.12221	1.3
183.01096	4.1
184.01843	1.5
185.16530	9.2
191.14302	2.3
195.10173	2.7
197.02728	13.8
197.05838	1.0
198.03392	4.0
209.05989	1.4
211.04193	1.1
216.00793	1.2
225.05467	2.7
227.17569	1.3
230.02422	4.6
235.13295	4.8
237.05417	1.4
238.06230	2.3
240.07864	2.0
241.05394	0.8
253.08733	2.3
253.14424	9.0
256.07333	2.0
271.02341	2.5
271.10132	37.3
271.15460	100.0
272.10254	2.2
272.15808	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	271.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	3.2
58.00455	4.2
59.01252	59.9
61.61335	1.1
62.32610	1.0
62.66403	1.0
67.18858	1.1
69.03328	5.6
69.42797	7.4
69.43204	2.7
71.01241	2.9
71.04894	1.5
72.99168	1.5
73.02811	2.1
74.02338	3.1
83.04897	5.5
85.02814	4.7
87.04391	7.6
93.03336	3.7
95.02381	1.2
95.04892	2.3
97.06472	13.7
99.04400	1.7
99.08025	1.8
106.04090	1.3
107.76045	1.1
109.06453	3.9
111.04406	3.6
111.08044	38.7
113.05990	9.4
115.03883	2.6
121.02836	5.4
121.06451	2.1
121.10099	1.7
123.04454	1.8
123.08057	5.8
125.02328	2.3
127.07526	3.8
129.09166	1.7
131.08171	2.4
133.28908	1.2
134.03563	1.9
135.08090	6.6
137.05954	2.0
137.09616	1.7
139.07545	7.1
141.05476	12.1
143.04556	1.8
143.07028	5.0
150.03143	1.5
155.07054	13.8
156.07684	1.5
165.05510	1.4
167.10747	1.2
173.08015	1.5
173.13222	2.7
191.14342	2.9
197.06055	3.8
198.20317	1.2
201.11287	1.5
207.13805	1.7
209.06036	2.5
209.15387	3.0
210.06853	7.2
211.07620	23.1
212.04845	1.6
213.05504	3.1
221.06010	1.5
223.13370	2.0
225.05516	9.9
226.06169	3.0
227.12718	1.4
228.10378	1.8
235.13338	9.9
237.05492	4.5
238.06346	8.5
239.06790	1.2
240.07899	4.7
241.05046	6.2
241.08664	4.2
250.29309	1.4
253.08839	3.1
253.14365	7.4
255.06702	1.3
255.39577	1.4
256.07315	7.3
271.06128	3.0
271.09735	12.6
271.15512	100.0
271.22372	5.6
272.15948	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	271.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32590	1.3
57.03306	1.5
58.00452	1.3
59.01250	100.0
60.99187	1.5
67.01743	1.9
69.03313	5.5
70.05109	1.3
71.01250	2.0
71.04900	2.0
73.02804	1.5
81.03316	4.4
82.58332	1.5
83.04895	9.2
85.02850	7.3
87.00732	3.1
95.04874	2.1
97.06454	2.8
99.08018	6.1
109.02848	2.1
109.06460	12.4
110.02358	4.0
111.04404	2.6
111.08042	1.4
113.09565	1.5
115.07526	3.1
121.02780	2.6
122.06034	1.9
123.08072	1.7
125.02356	3.7
127.03836	2.1
127.07517	7.9
128.08321	2.4
129.09102	27.2
134.06032	7.9
136.03912	4.9
138.06714	2.0
143.10684	8.4
148.07610	1.3
152.07031	3.9
155.10655	4.6
159.50381	1.3
165.09117	4.2
165.12766	4.9
167.10648	2.6
175.11162	4.9
183.13820	6.2
191.14374	11.1
193.12271	17.4
194.12564	1.7
195.06947	1.9
195.13809	2.3
197.11722	4.9
209.15456	14.5
210.15746	1.8
211.13335	61.3
212.13715	2.1
213.07884	3.9
213.14920	10.8
221.11833	8.3
225.14920	3.1
228.10237	14.5
229.14197	1.7
235.13338	21.4
238.07475	6.1
239.12856	6.0
241.14432	24.2
242.14714	1.6
243.16080	7.1
244.19667	1.7
249.71719	1.3
253.10159	12.0
253.14435	43.2
254.14687	2.9
254.74312	1.5
255.07742	3.8
256.08676	8.8
271.02475	2.0
271.11023	18.9
271.15482	60.0
271.18613	3.2
271.22699	6.2
272.15872	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	271.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61538	1.4
56.69147	1.4
57.03307	1.5
58.00452	5.3
59.01252	22.9
69.03310	3.2
71.01249	3.0
71.58004	2.4
73.02837	3.2
81.03346	1.4
83.04890	4.1
85.02796	2.2
85.32515	1.0
97.06470	15.2
99.04411	7.0
99.04962	1.5
104.78401	1.3
106.04041	1.3
109.06458	4.5
111.04399	2.2
111.08042	57.1
112.08359	1.7
113.05956	12.7
115.03892	7.9
121.06470	3.9
123.07998	1.4
127.07525	3.7
131.08096	1.9
133.03967	1.6
135.08035	4.5
137.05994	2.0
137.09579	2.6
139.07539	9.3
141.05482	14.1
143.07004	4.3
145.04958	1.9
155.07057	12.0
165.05411	1.4
169.94284	1.2
171.10197	7.2
173.13239	7.9
176.12546	1.4
180.39685	1.3
183.01147	5.4
183.10141	4.0
184.01910	2.2
191.14372	2.4
207.13800	3.6
209.15442	1.7
217.14197	1.4
227.12714	3.2
235.13344	7.5
241.04987	1.9
253.14432	14.6
256.07288	2.2
271.10278	17.5
271.15479	100.0
271.22369	6.4
272.15814	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	271.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	2.1
59.01250	46.3
60.54902	1.0
69.03331	2.3
71.01257	8.7
71.04871	2.6
71.57663	1.3
73.02805	1.6
81.03305	2.2
85.02813	2.4
86.82468	1.1
90.76855	1.1
93.03352	1.0
99.04398	9.2
108.02022	1.6
109.06504	1.4
109.92182	1.1
110.03606	1.1
111.04380	1.8
113.02282	1.1
115.75978	1.0
117.91683	1.1
121.02938	1.0
125.02367	1.1
127.07521	1.2
129.05479	9.1
129.09081	6.0
132.21703	1.0
141.05464	4.9
141.09140	1.6
154.42091	1.1
171.10234	6.7
181.12233	3.7
183.13826	8.2
184.14140	1.8
185.11740	1.6
191.14355	3.3
193.12260	3.0
197.11827	1.6
209.15407	60.3
210.15787	2.9
211.13333	100.0
212.13651	5.2
226.12262	1.5
227.12628	5.1
235.13440	1.6
253.14410	18.2
256.07352	1.4
271.15503	92.7
271.17960	3.3
271.22626	6.2
272.15936	6.1
285.61588	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0975
Annotation	4'-O-Methyldavidigenin
Peak:m/z	Relative Intensity
53.88267	1.8
57.03318	2.5
58.02851	2.0
59.01247	7.8
60.48933	1.6
68.99686	3.5
69.85281	11.7
71.01257	3.9
71.04885	5.4
81.03332	4.4
83.04911	3.1
85.02830	2.6
91.05460	4.2
93.03340	37.6
95.01252	1.8
95.04886	4.1
97.06425	3.4
105.03329	2.2
107.04871	2.5
108.02058	2.3
109.02882	2.3
109.06432	2.8
111.04384	5.8
111.08022	3.9
115.03839	2.1
119.04900	11.1
121.02836	11.6
123.04398	7.9
125.02312	1.7
127.07559	5.1
130.08636	34.3
131.08159	1.7
134.03622	5.4
134.08423	2.0
135.04445	14.8
136.05186	15.0
137.05986	52.1
140.07039	1.9
147.04424	100.0
148.04698	4.9
155.07053	6.4
164.04700	3.6
165.05487	92.8
166.05814	3.6
168.04231	11.9
177.05391	1.8
185.16528	29.8
207.08040	2.8
209.06134	4.7
209.11746	2.4
220.05060	1.8
221.06032	2.0
223.07471	6.0
225.05629	3.5
225.09106	7.8
227.17517	3.7
233.06015	3.1
234.06789	5.3
235.07599	8.9
235.13376	4.2
236.07951	2.0
237.05432	4.2
238.06337	5.2
241.05026	2.1
241.08701	3.0
245.47658	1.7
253.08685	40.2
253.14325	5.5
254.09119	2.2
256.07352	4.3
271.05978	3.1
271.09854	12.1
271.15485	47.0
271.22729	6.9
272.16040	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	271.0978
Annotation	Cordiaquinol I
Peak:m/z	Relative Intensity
59.01244	5.0
60.84638	1.2
71.28779	1.4
71.29101	2.1
75.24484	1.1
78.95772	1.1
83.04875	1.7
99.05471	1.1
119.04878	1.6
125.02347	1.4
137.09647	1.7
150.27411	1.4
189.07106	1.9
191.08636	2.4
196.05164	1.7
205.06482	3.1
206.07321	3.3
207.08066	10.8
209.06032	2.7
210.06628	1.4
220.05313	2.1
223.07605	2.9
224.08124	1.3
225.05396	2.7
225.09109	1.7
227.12856	1.5
229.03822	1.5
233.06047	12.1
234.06767	6.8
235.07626	26.4
235.09988	1.5
236.08009	1.7
240.08058	1.6
253.08693	25.3
253.14395	5.0
254.08948	2.5
256.07272	1.6
271.09756	100.0
271.15424	12.1
271.22775	7.3
272.10144	9.2
272.15759	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	271.101
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42157	0.4
57.03324	0.9
59.01248	2.8
64.82627	0.3
69.03306	0.6
71.01267	0.6
79.95646	1.2
85.02825	1.5
88.03893	0.5
95.04897	0.3
97.02801	0.6
98.20158	2.2
111.08041	0.9
113.05948	0.6
115.03903	2.9
137.09630	0.4
139.07487	0.6
183.01115	1.7
197.02707	39.3
198.03456	10.7
216.01027	0.5
227.12871	0.4
230.02495	10.0
231.02707	0.7
236.45596	0.4
241.05031	1.0
253.14458	0.5
256.07401	0.9
266.05267	0.3
271.10095	100.0
271.15466	5.6
272.10416	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	271.1048
Annotation	Fumarylcarboxamido-L-2,3-diaminopropionyl-L-alanine
Peak:m/z	Relative Intensity
59.01221	3.4
67.02868	6.1
70.02847	11.1
71.56750	4.1
78.95758	5.7
86.02347	3.6
95.02393	64.4
96.00777	20.9
96.85876	2.9
96.96839	7.2
98.02361	5.6
108.02055	4.0
112.03938	4.4
112.04320	2.9
112.05056	31.9
113.03439	9.6
113.04153	3.0
113.07046	3.7
114.01850	9.4
114.05518	17.3
120.59128	2.9
125.02308	4.8
128.03409	5.3
131.08163	96.5
132.06564	3.7
137.14618	3.5
138.19839	2.9
139.01364	3.5
143.04520	3.8
155.77435	2.9
156.04063	5.1
156.07709	60.4
166.09741	5.5
167.08191	3.6
173.10385	27.9
174.08781	3.3
185.09227	7.4
209.10355	6.9
210.08710	11.8
211.07196	20.6
216.28241	3.5
227.11342	17.0
229.08301	6.8
253.09428	41.5
271.10437	100.0
271.22797	15.9
272.10858	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.9
69.50378	15.5
71.01259	6.1
73.02823	7.8
94.56683	1.8
98.19794	3.1
114.41987	1.6
125.17508	1.7
145.06418	1.7
223.20560	11.0
225.22360	1.7
239.23767	6.5
251.20200	2.5
267.23297	5.1
269.21234	100.0
269.24841	76.1
269.27740	3.1
270.21652	5.0
270.25198	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	269.2123
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
54.43578	0.8
59.01251	1.7
63.08816	1.0
68.02409	1.3
70.80176	1.4
70.80518	1.7
71.01248	1.6
71.04895	14.8
83.04890	3.1
101.02264	0.9
117.03346	1.0
135.03972	0.8
136.30457	0.7
180.05801	0.9
197.18987	2.0
216.30498	0.8
223.20697	2.4
225.22194	29.0
225.24472	1.4
226.22493	1.5
251.20108	6.8
269.04480	1.9
269.21210	100.0
269.24680	8.2
270.21683	4.9
270.24225	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26126	2.1
54.79371	2.2
55.88921	2.5
57.31205	2.2
71.01257	2.4
71.12305	6.5
79.83503	2.3
85.81540	2.1
241.21669	3.2
269.21231	100.0
269.24765	9.7
270.21484	4.7
285.49265	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2486
Annotation	Margaric acid
Peak:m/z	Relative Intensity
52.98468	0.5
57.03330	0.7
58.00459	1.6
59.01246	0.8
60.62740	0.5
69.03336	1.6
69.46371	2.2
69.46803	2.7
71.01256	7.5
72.99207	0.7
73.02821	10.6
80.17519	0.6
84.02049	0.7
101.61928	0.5
199.49269	0.5
202.69998	0.6
223.20657	1.4
225.22150	1.2
237.22176	1.1
239.23807	6.8
249.22057	0.6
267.23273	9.4
268.23584	0.9
269.21323	17.4
269.24872	100.0
270.21664	2.0
270.25232	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	269.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85673	0.4
52.26498	0.4
58.00462	1.3
59.01252	0.7
61.72797	0.4
64.27875	0.4
69.03328	1.7
69.20617	0.5
69.46914	3.9
71.01255	9.6
73.02442	0.8
73.02820	11.3
83.04900	0.5
84.02036	0.5
89.40809	0.4
98.19711	0.7
115.76568	0.4
144.27925	0.5
169.15904	0.6
185.30724	0.4
211.20602	0.5
223.20656	1.5
225.22163	0.6
237.22214	1.1
239.23775	8.1
240.24066	0.5
249.47079	0.4
251.23802	0.9
255.23309	0.5
267.23318	8.3
268.23740	0.9
269.21301	13.4
269.24838	100.0
270.21713	1.3
270.25189	9.2
271.73755	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2487
Annotation	Margaric acid
Peak:m/z	Relative Intensity
50.47316	0.4
56.17994	0.4
58.00456	1.5
69.03312	1.5
69.60476	2.9
71.01251	8.2
73.02438	0.8
73.02821	9.0
84.02046	0.5
224.02341	0.4
237.22092	1.1
239.23782	6.9
240.24101	0.6
255.23338	0.6
267.23270	7.2
269.21317	12.7
269.24832	100.0
270.21732	1.3
270.25174	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	270.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
68.02402	2.9
72.50973	0.6
85.90970	0.6
99.92961	0.7
108.65902	0.7
109.02881	0.7
124.07546	2.2
131.03651	2.4
144.04443	3.8
145.02892	0.8
145.03937	1.0
157.05254	1.9
159.05515	1.1
172.05081	2.5
184.05179	3.0
185.04683	9.8
198.12794	0.8
201.03061	0.8
212.04576	2.5
213.05321	1.5
218.11702	0.7
242.11865	1.4
243.11450	1.1
270.12463	100.0
270.21597	5.9
271.12833	6.9
271.22705	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	269.2123
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
59.01252	3.0
59.36825	1.3
62.96286	2.7
69.32487	10.8
69.32897	3.6
71.01259	1.9
76.05904	1.5
76.60378	1.4
83.04911	1.9
128.49825	1.4
135.96254	1.3
163.03905	2.3
197.19081	1.5
223.20639	18.3
224.21231	1.8
225.22247	1.8
241.21576	1.9
251.20186	3.6
269.04617	1.7
269.21234	100.0
269.24783	20.2
270.21539	10.8
270.25134	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	269.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33097	0.3
59.01246	0.6
70.93254	0.9
79.66763	0.3
89.19902	0.3
113.09592	1.4
114.10036	0.3
127.11189	0.3
139.11154	0.4
145.39789	0.3
155.10690	17.5
156.10995	0.8
168.92847	0.3
171.10158	0.4
223.20717	0.5
233.19028	0.8
251.20161	14.6
252.20494	1.1
267.19705	0.8
269.21222	100.0
270.21579	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	269.2119
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
59.01250	1.7
62.96262	1.3
68.02422	6.0
70.41664	1.0
71.01238	2.3
71.05530	2.5
85.02847	1.3
92.05895	0.9
101.02260	1.0
117.06824	1.2
119.86605	0.9
132.63493	1.0
152.56873	1.0
165.69748	1.0
206.60086	1.0
215.07288	1.1
225.22169	2.8
251.20093	1.4
269.04553	2.5
269.21228	100.0
269.24649	6.1
270.21503	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	269.2121
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
57.03325	4.4
67.08842	2.5
138.14291	2.6
225.22191	5.7
261.67136	2.5
269.04553	5.2
269.21204	100.0
269.24725	10.3
270.21445	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	269.2121
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
59.01242	1.8
60.76376	0.9
70.93499	2.6
72.00122	0.8
75.57524	1.0
83.12975	0.8
86.39147	0.8
99.08179	0.9
99.66728	0.8
101.62891	0.8
113.09562	1.6
119.04987	1.2
121.68850	0.8
139.67661	0.8
143.23926	0.7
155.10696	15.2
173.50591	0.8
206.49670	0.8
223.20720	1.0
251.20137	13.4
252.20445	1.3
267.19748	1.3
269.04520	1.0
269.21225	100.0
269.24597	3.8
270.21573	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	269.1759
Annotation	CHEBI:66168
Peak:m/z	Relative Intensity
57.03315	0.9
59.01245	1.7
62.96280	23.1
71.01258	1.2
71.04888	1.7
71.06366	0.7
71.06709	1.1
71.26086	0.6
73.02812	1.5
79.87794	0.5
83.04897	0.6
85.02827	0.9
86.03620	1.0
89.90702	0.6
90.97028	1.1
93.03344	0.5
97.06427	0.6
99.54279	0.5
101.02352	0.6
103.91835	0.6
109.99607	0.6
112.05187	0.8
121.02871	1.4
132.98074	0.6
134.03625	1.3
152.52618	0.5
163.03856	1.1
166.02571	1.2
167.14336	4.2
183.13820	3.2
186.95552	5.6
195.13861	11.6
195.40007	0.6
196.14238	0.7
197.19186	0.7
207.17538	1.1
211.13368	1.0
223.17007	1.0
225.18542	1.2
226.93150	0.6
233.15421	0.8
251.16534	9.7
252.16936	1.2
269.13416	11.2
269.17596	100.0
269.21121	12.6
269.24890	3.5
270.13440	0.7
270.17963	7.1
270.21185	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1758
Annotation	CHEBI:66168
Peak:m/z	Relative Intensity
50.69410	0.5
57.03325	3.8
59.01251	1.2
62.96291	0.6
66.76137	0.4
69.96725	0.4
71.37449	1.1
83.04915	0.5
85.02824	20.0
86.03191	0.6
97.06461	0.6
121.02855	2.1
132.98114	0.6
134.03625	1.0
134.33170	0.5
163.03874	1.1
163.05270	0.4
171.10216	0.8
183.13829	65.3
184.14160	3.2
186.95554	2.0
195.13837	0.9
207.17438	0.8
209.66182	0.4
211.13412	0.5
223.16948	2.4
233.15422	1.7
251.16472	8.3
252.16785	0.6
269.17581	100.0
269.21002	6.6
270.17917	8.8
270.21262	0.7
291.72427	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1757
Annotation	CHEBI:66168
Peak:m/z	Relative Intensity
55.25502	0.4
57.03328	0.9
58.88734	0.5
59.01241	1.6
69.87699	1.2
69.88118	1.0
71.04887	0.8
74.28748	0.4
76.42485	0.4
78.33775	0.4
83.04897	0.9
85.02821	3.5
101.05964	1.2
104.43670	0.4
121.02868	0.7
134.03656	1.8
135.04404	0.8
163.03923	1.8
165.12782	0.8
166.02614	0.7
167.14279	0.5
171.10222	0.5
173.13150	0.4
181.15945	0.6
183.13838	8.1
195.13820	0.9
195.17570	0.5
207.13895	0.4
207.17390	0.7
209.15433	11.2
210.15727	0.5
221.15475	0.7
223.17014	1.5
225.14952	0.4
233.15459	3.3
239.16440	1.4
241.08704	0.5
249.14998	1.4
251.16507	13.2
252.16783	1.2
269.08151	2.2
269.17596	100.0
269.20953	5.2
270.17941	7.8
270.20883	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1759
Annotation	CHEBI:66168
Peak:m/z	Relative Intensity
52.60228	0.4
57.03325	0.8
59.01256	0.8
61.99439	0.4
69.03319	0.5
71.01278	0.5
71.04890	1.6
71.28899	0.9
72.99176	0.9
83.04900	0.7
85.06470	10.0
87.50063	0.4
89.44893	0.4
93.03365	0.6
95.04926	1.1
95.89935	0.4
97.06472	1.1
99.08044	4.1
109.06500	1.3
119.04794	0.4
121.02852	1.2
134.03632	1.2
144.08179	0.5
149.13277	0.6
163.03896	1.3
166.02652	0.9
167.14326	0.8
171.10172	1.8
171.54059	0.4
175.14757	0.5
186.95483	0.4
193.15929	9.0
194.16161	0.5
205.15895	0.7
223.16977	0.8
239.07204	0.4
251.07025	0.5
251.16577	3.7
267.16284	0.4
269.08484	2.8
269.17596	100.0
269.20990	5.7
269.25024	1.6
270.17941	7.3
289.30927	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73385	0.4
55.01757	1.2
57.03319	9.5
59.01258	2.5
59.07789	0.5
71.01259	1.5
71.57790	0.8
73.02824	1.0
85.02818	20.8
91.64586	0.5
93.03316	1.2
95.09163	0.6
101.02316	0.8
124.78132	0.5
125.06007	0.5
148.41818	0.5
152.07893	0.5
181.54808	0.5
183.13824	54.5
184.14204	3.3
186.95578	0.7
195.13820	1.2
203.26952	0.5
207.13734	0.6
209.11760	0.7
221.15305	0.6
223.16954	1.2
225.14876	2.6
226.12350	1.2
233.15422	0.8
239.16507	2.4
241.17862	0.6
251.12794	1.0
251.16560	5.4
269.04514	1.5
269.17578	100.0
269.21042	8.1
269.24835	1.8
270.17911	8.0
270.21259	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1757
Annotation	CHEBI:66168
Peak:m/z	Relative Intensity
57.03320	1.7
59.01238	1.5
71.01253	1.0
71.04885	1.4
71.57386	0.5
71.57761	0.7
73.42318	0.5
74.61011	0.6
81.03338	0.7
83.04905	1.1
85.02824	3.0
97.06463	0.9
101.05946	1.1
107.51096	0.5
110.71447	0.5
121.02808	0.7
134.03638	2.2
135.04434	1.1
155.08160	0.8
163.03938	1.7
165.12709	0.9
166.02596	1.1
171.10176	0.8
180.04372	0.5
181.15765	0.5
183.13861	5.8
191.66910	0.5
195.13889	0.6
207.17387	1.1
209.15434	9.6
210.15869	0.5
211.13382	0.5
223.17090	0.8
225.14879	1.0
233.15457	1.8
239.16541	1.2
249.15016	0.9
251.07353	0.6
251.16527	12.8
252.16847	1.0
262.42783	0.6
269.08347	2.5
269.17590	100.0
269.21097	10.0
269.24908	3.3
270.17902	8.0
270.21222	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.6
59.01245	3.4
69.03329	1.0
71.01248	1.8
71.58168	1.5
74.43513	0.7
83.04899	1.5
85.02827	1.2
86.82074	0.8
88.11783	0.7
93.03386	1.5
95.04887	1.4
97.06456	1.4
99.03354	0.9
101.02400	0.9
106.53410	0.8
107.04929	1.5
119.04914	0.9
120.59619	0.8
121.02818	2.5
123.08122	1.3
125.05947	0.8
125.09624	3.3
127.11203	0.7
134.03613	3.2
135.04378	2.2
141.12752	2.1
163.03859	2.8
166.02603	1.4
171.10193	51.8
172.10474	2.6
182.88875	0.8
183.13826	0.9
185.11726	2.6
186.95569	2.2
189.16380	2.3
195.13843	1.1
198.15834	0.9
207.13855	1.2
207.17461	0.9
221.15434	19.7
222.15764	1.3
223.13324	2.3
223.16989	2.7
225.14899	4.8
233.15434	13.5
234.15752	1.5
239.16547	10.8
251.16510	100.0
252.16824	6.6
269.08148	9.9
269.11523	2.2
269.17566	63.4
269.21127	13.0
269.24814	3.9
270.17920	3.8
270.21326	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1216
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94417	0.3
61.31854	0.3
65.06411	0.3
70.12458	0.3
71.05016	0.6
79.95623	0.7
116.03872	0.3
120.61958	0.3
154.05592	0.3
183.01140	5.3
184.01941	1.5
197.02711	36.9
198.03479	7.6
199.03693	0.4
211.04291	0.5
216.00984	0.5
230.02486	4.9
244.04042	0.6
269.12155	100.0
270.12494	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	269.1216
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50107	0.3
66.75750	0.3
71.04628	0.4
71.04959	0.5
79.95626	1.2
89.69731	0.3
99.36947	0.3
109.66961	0.3
133.06468	0.3
143.08185	0.3
145.88786	0.3
177.95685	0.3
183.01141	9.0
184.01880	2.6
197.02710	29.4
198.03494	9.5
199.03801	0.5
216.00937	0.8
230.02498	6.2
234.48824	0.3
269.12161	100.0
270.12497	6.8
270.15485	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	10.9
57.03324	8.6
59.01252	56.8
69.93079	9.2
71.01253	100.0
72.01584	2.1
72.99191	2.7
73.02818	40.2
83.01252	19.0
84.02046	2.3
85.02825	47.2
87.00753	4.2
89.02325	5.8
91.52525	1.8
95.01275	4.5
95.45219	1.8
99.00757	16.9
101.02322	88.6
107.04887	1.9
107.06784	1.8
113.02322	35.1
114.02605	2.5
125.83441	1.8
129.01781	2.0
159.02882	8.0
161.04459	28.2
269.10559	3.8
269.21204	8.4
269.24588	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	269.103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	8.9
57.03325	8.4
58.00467	3.8
59.01250	50.4
67.74506	1.2
69.03309	1.3
70.75815	4.3
71.01252	100.0
72.01591	1.9
72.99174	5.3
73.02817	36.4
83.01255	18.7
83.96323	1.4
84.15870	1.3
85.02822	59.4
87.00753	5.5
89.02316	3.8
95.01276	9.9
97.02831	2.4
99.00751	16.0
100.00266	2.5
101.02323	78.2
101.05956	7.9
107.04832	1.8
113.02321	37.0
119.12076	1.5
129.01848	2.4
143.03362	2.2
159.02907	4.6
161.04478	22.0
269.10315	5.6
269.21262	7.1
269.24869	1.8
276.45352	1.3
282.95688	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	269.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34003	0.4
53.53868	0.5
54.81091	0.4
59.01245	2.3
60.73567	0.4
63.02859	0.5
71.01243	1.5
71.57578	0.7
85.02808	0.6
93.03331	2.2
106.04118	1.7
107.04910	2.9
108.02050	2.1
112.35823	0.4
119.04900	1.8
121.02833	1.5
123.04410	1.8
130.04155	2.3
131.04913	1.3
132.05698	0.8
133.06514	0.8
134.03629	7.9
143.04935	16.6
144.05255	0.7
145.06490	100.0
146.06821	4.4
147.04420	9.4
149.02229	0.5
156.61351	0.6
161.05984	1.7
163.07544	7.7
183.01161	0.9
192.21512	0.6
195.07938	0.6
197.02835	0.5
197.11757	0.6
207.13872	0.5
225.14952	0.8
227.07671	0.8
269.08557	6.0
269.11844	28.8
269.21228	5.1
269.24542	1.1
270.12201	1.7
291.77957	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	9.9
57.03323	7.7
58.00475	1.9
58.99475	3.0
59.01250	43.5
62.19745	1.3
68.02390	1.5
70.97406	3.0
71.01251	100.0
71.29947	1.4
72.01577	2.0
72.99181	6.0
73.02816	33.2
73.64359	1.5
75.00749	2.2
83.01252	15.8
83.04901	2.6
85.02824	51.1
86.03129	1.3
87.00737	3.6
89.02322	4.5
95.01251	6.0
97.02849	1.8
99.00755	15.1
101.02320	80.5
102.98472	10.4
107.04923	2.3
111.00738	1.7
113.02325	40.7
114.02756	1.4
125.02322	2.4
129.01819	1.5
133.04991	3.3
143.03352	2.1
145.06474	3.9
147.04408	2.2
159.02890	9.8
161.04451	24.8
205.03426	1.9
269.10193	5.7
269.17593	1.4
269.18491	1.8
269.21191	13.7
269.24631	3.1
270.10641	1.5
278.52820	1.4
293.12637	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	269.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01514	0.8
55.01759	10.4
57.03320	8.3
58.00473	3.0
59.01249	46.4
60.01584	0.7
64.71693	0.5
69.03328	1.1
71.01252	100.0
72.01598	1.5
72.99177	5.3
73.02818	33.1
75.00760	2.1
75.14513	0.5
83.01258	17.5
83.04894	0.6
84.01569	0.7
84.02027	1.0
85.02821	52.6
85.99942	1.3
86.03160	1.4
87.00755	4.6
89.02319	3.7
95.01257	6.7
97.02818	1.7
99.00750	14.5
100.00209	0.5
101.02321	72.1
102.02658	1.4
107.04919	1.4
111.00758	1.3
113.02327	37.1
114.02605	0.6
125.02325	2.2
129.01817	1.9
135.04398	1.1
139.00290	0.7
143.03369	2.0
159.02895	7.1
161.04463	22.2
162.04839	0.6
181.74280	0.5
205.03450	1.6
213.14787	1.0
241.14355	1.3
251.12828	1.1
269.10272	4.8
269.13785	1.4
269.21143	6.2
269.24750	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.082
Annotation	3,4
Peak:m/z	Relative Intensity
52.13467	0.2
53.59436	0.2
53.98571	0.2
55.29327	0.2
59.01236	0.4
69.49146	2.2
71.01254	0.5
83.04928	0.3
85.02843	0.7
85.73114	0.2
93.03327	1.8
95.04891	0.5
98.20520	0.5
106.04122	1.4
107.04925	2.8
108.02052	1.6
112.45655	0.2
117.03313	0.3
119.04932	1.0
121.02842	4.6
123.04394	2.0
130.04161	2.0
131.04935	0.8
132.05719	0.6
133.02870	0.3
133.06497	0.7
134.03636	7.8
138.03188	0.3
143.04935	17.3
144.05463	0.6
145.06497	100.0
146.06830	4.0
147.04433	8.0
148.04742	0.4
160.05127	0.3
161.05992	1.8
162.06677	0.4
163.03922	0.3
163.07562	8.7
193.06487	0.4
195.04454	0.8
195.08200	0.3
204.05779	1.0
205.06535	2.4
206.06737	0.4
208.05205	0.5
209.06081	0.3
221.06065	1.5
223.07663	1.8
225.15013	0.3
232.05266	0.9
233.06047	15.0
234.06421	0.6
237.05511	0.6
239.07164	0.7
251.07103	11.6
252.07588	0.8
265.05096	1.0
269.08228	58.2
269.11810	26.6
269.21240	2.4
269.24829	0.8
270.08548	4.9
270.12146	2.4
277.05219	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.082
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43168	2.8
69.43594	2.7
84.06576	0.5
93.03345	4.8
98.20561	1.1
121.02850	5.8
130.27548	0.6
134.03630	100.0
135.04424	56.3
136.04733	1.9
145.02914	1.1
147.04408	2.5
162.03134	11.7
163.03920	90.1
164.04230	3.6
166.02628	42.7
167.03027	1.1
175.03958	3.4
211.07695	0.9
221.06017	1.7
223.07474	1.1
223.13351	3.2
239.07086	6.6
241.08661	13.6
242.08891	0.9
251.07135	9.1
251.09718	1.1
267.06705	1.0
269.08224	33.2
269.11670	5.7
269.14392	3.3
270.08554	2.9
275.73209	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22018	0.4
59.01250	0.9
67.22334	0.4
70.36115	1.9
71.01266	0.5
76.56793	0.5
93.03326	5.2
107.17403	0.5
117.03388	0.8
121.02847	6.2
134.03638	100.0
135.04434	53.5
135.05260	0.4
136.04785	2.5
145.02850	2.1
147.04457	3.2
162.03152	12.3
163.03928	83.4
164.04257	3.9
166.02638	46.3
167.02942	2.0
175.03938	4.0
186.95728	0.6
209.06143	0.7
209.11848	0.6
209.82564	0.5
210.06853	0.9
211.07529	0.5
221.06097	1.0
223.07652	0.8
223.13306	5.3
227.12869	1.4
239.07111	6.7
240.07535	0.6
241.08676	11.1
241.14523	0.7
242.08981	0.6
249.05489	0.7
251.07112	5.9
251.09758	1.2
251.12793	0.9
251.16617	0.9
252.07324	0.4
269.08215	28.6
269.11581	4.9
269.14261	7.6
269.17682	1.2
269.21255	3.4
269.24857	0.9
270.08585	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13467	0.2
53.59436	0.2
53.98571	0.2
55.29327	0.2
59.01236	0.4
69.49146	2.2
71.01254	0.5
83.04928	0.3
85.02843	0.7
85.73114	0.2
93.03327	1.8
95.04891	0.5
98.20520	0.5
106.04122	1.4
107.04925	2.8
108.02052	1.6
112.45655	0.2
117.03313	0.3
119.04932	1.0
121.02842	4.6
123.04394	2.0
130.04161	2.0
131.04935	0.8
132.05719	0.6
133.02870	0.3
133.06497	0.7
134.03636	7.8
138.03188	0.3
143.04935	17.3
144.05463	0.6
145.06497	100.0
146.06830	4.0
147.04433	8.0
148.04742	0.4
160.05127	0.3
161.05992	1.8
162.06677	0.4
163.03922	0.3
163.07562	8.7
193.06487	0.4
195.04454	0.8
195.08200	0.3
204.05779	1.0
205.06535	2.4
206.06737	0.4
208.05205	0.5
209.06081	0.3
221.06065	1.5
223.07663	1.8
225.15013	0.3
232.05266	0.9
233.06047	15.0
234.06421	0.6
237.05511	0.6
239.07164	0.7
251.07103	11.6
252.07588	0.8
265.05096	1.0
269.08228	58.2
269.11810	26.6
269.21240	2.4
269.24829	0.8
270.08548	4.9
270.12146	2.4
277.05219	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1966
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
57.03320	2.0
59.01251	5.3
60.53832	1.1
70.01665	3.9
70.02070	2.7
71.01252	4.6
85.02799	1.4
85.06470	1.3
93.03360	2.6
101.02367	1.6
119.04941	1.5
121.02856	2.8
123.08045	1.3
134.03671	1.2
171.10184	15.0
195.13841	15.3
209.04509	1.7
211.49887	1.3
223.20709	1.5
249.09174	3.5
249.18600	33.1
250.19003	2.2
267.10403	4.4
267.16171	7.5
267.19656	100.0
268.19937	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	267.1961
Annotation	Methoprene acid
Peak:m/z	Relative Intensity
50.00511	1.0
57.03314	2.2
59.01253	5.6
66.00841	1.1
71.01244	3.9
85.94145	1.1
91.31049	1.0
98.95465	9.5
98.96330	1.7
99.00748	1.4
101.02295	3.3
103.22213	1.5
105.58946	1.1
113.02277	1.8
113.09604	5.5
126.99473	8.3
154.98933	4.1
161.04445	2.4
182.00337	1.1
182.01889	1.2
183.13936	1.2
187.52728	1.1
195.13840	5.0
197.11740	1.2
223.20609	2.7
231.02188	2.0
249.18631	6.0
266.99911	7.3
267.07776	1.8
267.10626	5.3
267.14560	6.0
267.19644	100.0
268.20090	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	267.233
Annotation	cis-10-Heptadecenoic acid
Peak:m/z	Relative Intensity
52.98707	0.7
68.75240	0.6
69.93967	1.5
69.94382	2.8
126.46810	0.7
126.47793	0.8
185.78395	0.8
217.86732	0.8
267.23297	100.0
268.23657	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	268.1062
Annotation	Asn-His
Peak:m/z	Relative Intensity
55.27019	0.6
71.05429	1.0
72.13113	0.5
80.17123	0.6
88.63087	0.5
95.04920	1.4
102.04230	0.5
106.04131	2.1
107.04429	0.9
108.02059	1.6
109.02439	0.6
115.05381	0.6
116.05777	0.6
117.03334	1.8
118.03693	2.2
119.04915	1.2
120.05257	1.0
121.02833	0.6
123.04431	3.3
124.04752	2.4
130.04173	1.6
131.04993	5.6
132.05257	5.5
133.06528	2.5
134.03639	61.5
134.06848	2.6
135.03973	54.6
136.04105	2.1
136.95778	0.5
145.06441	0.6
149.05957	2.2
149.10364	0.5
150.06262	2.4
182.07150	0.5
183.07948	0.8
184.08310	0.6
195.08093	1.7
196.08475	6.4
197.09206	1.7
207.07637	0.7
209.09338	0.6
210.09995	1.2
211.10678	0.7
212.07912	2.2
219.07767	0.7
220.08525	1.4
222.09987	3.4
224.07895	0.6
226.09372	0.6
238.09622	3.7
239.10352	8.9
240.11115	14.8
242.23390	0.5
250.09529	3.4
266.09180	1.1
268.10605	100.0
269.08173	0.8
269.10818	5.8
269.21167	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	268.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86780	0.2
71.27696	0.4
71.28015	0.3
72.00780	1.5
74.02347	100.0
75.02684	0.7
81.03346	0.8
88.79858	0.3
93.03331	0.8
112.07566	2.9
118.02778	0.3
118.04994	10.5
120.05249	0.3
121.02856	0.3
134.03561	0.3
134.25887	0.3
137.04724	8.6
137.05748	0.5
138.09184	0.5
149.09630	1.2
161.49599	0.3
180.13864	3.5
185.29068	0.3
206.11778	2.8
206.15483	0.8
207.12321	0.4
224.12881	24.3
225.13187	1.5
250.09512	1.6
268.10779	1.5
268.15521	8.4
269.21161	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1963
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
55.01746	2.2
59.01257	2.2
69.03320	6.6
71.01253	2.1
71.04891	10.3
80.02520	1.4
81.03308	1.1
83.04871	1.2
101.02360	1.4
123.03117	1.0
126.37981	0.8
133.93472	0.8
145.97134	0.9
161.04335	1.0
195.17361	1.8
197.11833	1.0
197.95488	0.9
207.07709	0.9
221.19075	4.5
223.20616	100.0
224.21002	5.7
253.60640	1.1
262.14444	1.0
267.19638	55.7
268.19919	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	267.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09199	0.6
55.01741	0.5
57.03319	1.1
59.00982	0.8
59.01251	10.3
61.42254	0.6
62.00289	0.6
65.75421	0.5
67.09682	0.6
69.77932	3.3
71.01237	2.5
73.02849	0.6
80.63878	0.6
83.04898	0.6
83.37702	0.5
85.02833	1.1
89.02316	1.3
89.97362	0.6
98.20450	0.9
99.08006	1.0
101.02336	1.2
113.02322	1.0
113.09595	1.7
127.11169	0.8
130.94995	0.6
149.09608	3.4
167.10687	44.5
168.11040	1.9
171.10158	7.3
183.15448	0.6
205.19516	1.7
223.20531	0.8
231.17494	0.9
249.18567	36.0
250.18881	2.9
267.19638	100.0
268.19965	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	267.1028
Annotation	3,4,6-Trimethoxyphenanthrene
Peak:m/z	Relative Intensity
59.01248	3.9
60.75897	1.7
70.12202	7.6
71.01242	3.2
75.24490	1.4
85.26234	1.3
93.03334	11.7
95.04943	1.6
98.20542	1.8
98.97030	1.7
106.04124	5.9
108.02055	4.6
113.02357	1.7
117.03359	5.9
119.04868	9.4
121.02853	11.0
123.04429	4.8
129.03365	1.5
130.04118	13.3
131.04939	24.6
132.05717	3.8
133.06491	7.8
134.03651	8.4
143.04967	12.3
145.02852	5.3
149.06015	4.4
156.05698	2.6
159.04422	14.2
160.05223	34.8
161.06006	68.4
162.06357	4.2
206.07367	2.1
207.08051	3.8
219.08163	1.6
220.08707	1.9
221.09601	3.7
233.06035	1.9
234.06912	3.7
237.09132	21.1
238.09543	2.0
246.06941	2.8
247.07582	19.1
248.08400	36.6
249.09180	69.5
250.09485	2.8
267.10266	100.0
268.10535	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	267.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76557	0.4
56.64793	0.4
57.03320	0.8
59.01255	3.0
60.83938	0.4
71.01252	1.4
71.57705	0.8
79.95621	1.0
84.02047	2.8
85.02816	0.8
95.04902	0.4
97.06446	0.5
101.02315	0.8
104.56805	0.4
111.08089	0.6
113.02335	0.6
134.03633	0.5
143.04915	0.5
179.14406	0.8
201.48209	0.4
205.12289	1.2
209.02762	1.0
211.65425	0.5
223.04364	3.1
223.13344	100.0
224.04976	1.2
224.13701	6.1
233.61432	0.4
237.05876	4.8
238.06680	1.4
249.14928	7.8
250.15211	0.7
252.04311	1.0
252.08362	0.6
256.04080	0.9
267.10361	37.3
267.16220	2.0
268.06836	0.6
268.10730	2.9
270.05789	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.16
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21402	0.4
59.01243	1.8
60.04593	0.3
62.87493	0.4
70.00420	2.1
71.01255	1.7
74.29240	0.4
74.69772	0.3
75.25435	0.4
82.26770	0.3
83.04895	0.8
84.30677	0.4
89.02290	0.6
93.03345	0.8
96.65285	0.4
97.06442	0.6
97.50778	0.5
98.65777	0.4
101.02294	0.6
113.02305	0.8
119.04929	0.9
121.02830	1.0
134.03671	1.1
141.92819	0.4
143.04886	0.4
161.05960	0.7
205.15916	15.6
206.16241	1.2
223.16982	100.0
224.17310	6.5
231.13881	1.4
248.08492	0.6
249.09270	1.9
249.14861	6.1
256.64798	0.5
267.06821	0.8
267.10229	2.7
267.16000	41.6
268.16281	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	267.1602
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.94970	0.5
59.01256	1.4
68.81960	0.5
70.49391	1.0
70.49751	1.3
71.01230	0.8
79.66171	0.5
83.04897	0.6
121.02882	0.8
145.67958	0.5
178.09256	0.6
205.15910	14.0
223.16994	100.0
224.17360	8.1
231.13863	1.2
249.14928	5.2
250.15302	0.7
267.16013	41.9
268.16339	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	267.1963
Annotation	Methoprene acid
Peak:m/z	Relative Intensity
53.50952	0.5
57.03316	0.5
59.01247	0.9
70.63193	1.4
71.01256	0.7
98.95455	1.1
101.02313	1.0
102.11948	0.4
113.02345	0.5
123.08042	2.5
125.09616	4.3
139.11192	0.5
141.12723	1.1
161.04518	0.4
166.45697	0.5
171.10135	3.9
183.10185	0.5
197.11737	0.5
223.20648	2.0
238.05591	0.5
249.18584	5.2
267.19635	100.0
268.19980	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	267.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	2.4
69.39425	7.8
71.01249	1.5
85.02789	1.2
93.02761	1.9
93.03339	33.8
94.03674	1.1
95.04901	1.5
98.06781	0.8
99.80893	0.8
106.04124	2.0
108.02041	1.9
115.05424	8.5
117.03356	2.7
119.04063	1.0
119.04917	19.1
121.02830	2.8
123.04407	2.9
130.04121	4.7
131.04930	6.1
132.02032	1.0
132.05745	1.1
133.02838	0.9
133.06517	4.5
134.03636	42.1
135.03960	1.2
143.04936	14.6
145.02835	1.1
145.06470	1.4
149.05959	1.2
155.04958	1.5
156.05646	1.6
159.04419	2.3
160.05232	4.9
161.05969	9.3
179.14359	1.6
181.06461	1.1
185.11792	1.1
193.15982	1.0
195.08084	2.9
195.13849	15.0
206.07292	1.6
207.08076	2.2
208.05179	1.1
209.11690	1.1
211.07722	1.0
216.81097	0.9
218.07161	0.9
219.08066	1.4
220.08781	1.6
221.09686	2.6
223.03989	1.4
223.07588	4.1
223.13338	3.2
230.07483	1.2
231.08128	2.7
233.06131	1.4
234.06918	2.1
237.09190	10.6
237.14812	2.3
238.09897	3.6
239.07150	1.9
239.10745	6.1
247.07584	5.2
248.08411	11.4
249.09189	56.2
250.09622	4.9
252.04327	5.9
267.06781	6.4
267.10242	100.0
267.15994	14.3
268.10593	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	267.1027
Annotation	3,4,6-Trimethoxyphenanthrene
Peak:m/z	Relative Intensity
57.03338	14.4
57.03556	2.9
59.01239	5.5
63.63422	2.3
69.62088	17.7
71.01260	3.9
74.87717	2.5
79.05388	5.9
83.04887	3.2
93.03332	29.2
95.04908	4.9
101.02296	3.3
106.04136	4.4
115.05408	5.0
117.03364	8.1
119.04909	15.9
121.02846	29.4
123.04392	23.6
125.09612	5.2
130.04102	7.4
131.04912	17.1
133.02815	15.4
133.06491	7.5
134.03645	26.0
143.04945	16.0
145.02907	3.3
159.04440	7.4
160.05234	26.0
161.06007	45.6
162.03098	4.9
185.11769	14.2
207.13754	2.8
209.11801	35.1
210.06909	3.2
211.07640	5.9
221.06099	3.7
221.09703	3.3
223.07600	4.4
233.05984	3.3
234.06868	3.7
236.09584	2.4
237.09164	22.0
238.06334	13.5
239.07069	7.4
239.10623	3.1
247.07509	13.9
248.08368	22.1
249.09201	70.0
249.14792	13.5
250.09509	6.7
261.65942	2.3
267.06653	45.2
267.10217	100.0
267.15982	25.4
267.18890	3.4
268.06757	2.4
268.10690	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	267.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91844	0.5
55.10062	0.7
55.94921	0.6
63.31540	0.5
70.79854	1.2
70.80190	1.1
93.03316	0.8
95.04908	1.7
101.03841	0.8
105.03358	1.0
106.04107	4.1
115.05401	0.8
117.03333	3.2
119.04905	1.6
123.04400	4.9
129.14937	0.7
130.04129	2.0
131.04936	8.6
133.02870	0.8
133.06488	4.7
134.03633	100.0
135.03987	2.6
143.04909	0.9
149.06009	3.8
169.18196	0.6
182.07323	0.7
183.07982	0.9
195.08090	7.1
196.08797	1.7
209.09653	2.7
211.07558	1.9
211.27979	0.6
219.08128	1.4
221.09671	2.9
222.10297	0.7
227.95280	0.5
234.84480	0.6
235.07640	0.6
237.09146	3.0
238.10017	6.6
239.10735	14.5
245.36137	0.6
249.09137	3.6
265.08719	1.2
265.98447	0.6
267.10257	71.9
268.10654	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	267.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22017	0.6
57.03315	1.2
59.01239	1.5
71.01245	1.2
71.40278	0.9
71.57835	1.2
71.58213	0.9
73.02824	1.1
84.02052	0.9
85.02786	0.9
87.17023	0.7
89.02333	0.9
93.03335	31.8
94.03676	1.4
95.04887	2.1
101.02296	0.8
106.04103	2.7
108.02046	2.6
115.05412	6.3
115.86212	0.8
117.03325	4.5
119.04053	1.2
119.04915	22.1
121.02844	7.9
123.04387	2.4
130.04158	7.6
131.04929	14.3
132.05676	2.4
133.06474	6.0
134.03629	11.3
136.01547	3.4
137.02339	2.9
143.04938	17.0
145.02882	4.4
145.06477	0.9
147.04454	1.6
155.04947	1.4
156.05676	3.3
158.03587	0.9
159.04417	5.8
160.05209	18.3
161.05991	44.1
171.04453	0.8
185.11813	0.9
195.08138	1.5
206.07310	3.2
207.08041	2.7
209.06084	1.0
209.11769	2.0
211.07510	1.5
219.08098	3.0
220.08795	1.6
221.09651	3.5
222.06808	0.8
222.09641	0.8
223.07619	3.1
223.16829	1.0
230.07420	1.2
231.08125	1.9
233.05991	2.2
234.06825	3.1
237.09171	18.0
238.09752	2.1
239.10716	1.1
246.06889	1.2
247.07625	10.8
248.08368	23.9
249.09175	79.2
250.09499	7.4
267.06714	9.5
267.10239	100.0
267.15994	11.5
268.06897	1.1
268.10559	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	267.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69410	1.4
71.27479	2.0
93.03347	7.8
95.04907	2.1
100.37478	1.0
106.04120	6.0
108.02044	2.5
109.02824	1.4
115.05444	1.3
117.03349	5.2
119.04933	4.9
121.02854	10.6
123.04425	2.9
130.04132	9.9
131.04932	17.4
133.06517	6.3
134.03639	16.7
143.04926	7.6
145.02846	4.3
145.06511	1.3
156.05699	2.8
159.04422	11.0
160.05231	25.3
161.05998	51.6
162.06335	3.0
206.07295	2.5
207.08122	1.7
219.08049	1.3
220.08870	1.4
231.08170	1.3
234.06845	2.8
237.09161	14.5
238.09825	2.4
239.10692	2.9
246.06862	1.8
247.07603	12.6
248.05838	1.0
248.08397	22.9
249.09181	54.2
250.09521	3.7
267.10257	100.0
268.10678	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	267.1027
Annotation	3,4,6-Trimethoxyphenanthrene
Peak:m/z	Relative Intensity
57.95475	1.0
70.18130	5.5
70.20138	1.1
79.81599	1.2
91.05482	1.1
93.03331	36.6
106.04116	1.6
115.05437	9.2
117.03329	1.4
119.04926	27.5
123.04444	2.0
130.04124	2.6
131.04947	3.7
133.06468	5.3
134.02641	2.1
134.03638	35.0
135.04005	1.3
143.04919	15.9
149.05992	1.7
150.18665	1.0
156.05766	1.4
161.05969	5.9
195.08070	2.7
206.07314	1.6
219.08083	1.7
221.09685	2.5
223.07642	2.1
231.08150	1.4
237.09142	7.7
238.09956	3.3
239.10776	6.7
247.07622	4.4
248.08363	9.6
249.09186	67.4
250.09407	5.7
266.09045	1.3
267.10260	100.0
268.10629	8.0
269.97070	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
66.75785	0.8
69.92010	4.9
93.03336	14.9
95.01238	1.4
95.04929	1.4
105.03381	0.8
106.04120	8.1
108.02048	2.5
109.02798	1.6
115.05438	1.1
117.03358	5.0
119.04936	7.2
121.02855	13.5
123.04401	2.7
129.03366	1.9
130.04150	12.9
131.04935	26.9
131.41022	0.8
132.05698	3.4
133.06470	7.7
143.03961	1.2
143.04951	13.0
145.02869	6.8
145.06517	1.8
156.05714	5.5
159.04439	14.4
160.05215	40.8
161.06000	75.8
162.06323	4.0
170.50113	0.9
171.04405	1.3
206.07332	2.5
207.08118	3.6
219.08092	2.3
220.08905	2.9
221.09610	2.8
230.07274	1.1
231.08116	2.6
232.08902	0.9
233.05942	1.8
234.06857	3.9
237.05605	1.0
237.09178	22.5
238.09554	1.5
239.07088	7.1
246.06952	2.4
247.07629	17.9
248.08405	39.8
249.09178	82.0
250.09497	6.7
267.10260	100.0
268.10587	8.4
274.73630	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1025
Annotation	3,4,6-Trimethoxyphenanthrene
Peak:m/z	Relative Intensity
59.01260	6.7
64.50751	1.0
71.01234	1.2
71.57784	1.4
71.58192	1.3
74.42641	0.8
76.60382	1.0
89.02289	1.0
93.03336	52.7
94.03687	1.0
100.87071	0.9
101.02314	1.4
108.02081	0.8
108.96062	0.8
115.05415	11.4
117.03391	1.7
119.04916	35.5
121.02856	1.1
123.04476	1.1
130.04095	2.6
134.03625	5.3
137.02338	1.2
139.02214	1.1
141.00006	1.0
143.04944	17.0
145.02895	1.0
147.04422	1.0
149.06010	3.3
155.04887	2.6
161.06029	1.0
169.06465	1.2
184.05197	1.1
206.07294	2.3
207.08076	2.9
210.06776	1.0
211.07523	1.5
219.04463	1.2
219.08109	2.3
220.08740	1.3
221.09647	2.9
223.07631	6.7
223.13269	2.9
224.07881	1.1
230.07301	1.7
231.08112	3.4
232.08748	1.3
233.06067	1.8
234.06786	2.2
237.09184	17.8
238.09604	1.3
247.07602	6.0
248.08369	11.7
249.09169	100.0
250.09520	8.2
267.07391	2.1
267.10242	65.1
268.10599	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	267.1026
Annotation	3,4,6-Trimethoxyphenanthrene
Peak:m/z	Relative Intensity
57.64538	1.3
59.01250	2.5
64.01044	1.3
69.25535	11.4
69.25941	2.3
71.01236	1.9
73.02831	1.4
85.02847	1.4
89.02354	1.4
93.03352	12.3
95.04926	1.6
106.04107	4.1
108.02085	3.0
113.02326	1.9
115.05402	2.7
117.03355	4.3
119.04942	7.1
121.02850	8.1
123.04390	4.0
130.04155	7.3
131.04927	15.5
133.06477	5.5
134.03635	45.6
135.04010	1.5
143.04910	9.4
145.02844	2.9
146.34555	1.2
148.97900	1.2
149.05969	1.8
153.08998	1.3
159.04413	5.4
160.05212	18.8
161.05992	36.0
193.56464	1.4
195.08083	3.8
206.07388	2.0
207.08121	2.5
209.11734	1.8
220.08904	2.2
221.09790	2.1
223.17062	1.5
231.08118	2.0
234.06769	2.8
237.09203	16.0
238.09807	5.2
239.10753	7.3
247.07608	8.5
248.08424	17.5
249.09175	49.5
249.14917	5.6
250.09521	3.5
267.06964	4.1
267.10272	100.0
267.15900	8.5
268.10629	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	267.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26606	0.4
54.48656	0.4
62.61053	0.4
65.03841	0.5
71.35157	0.8
75.01325	0.4
76.53372	0.5
91.05407	0.4
93.03340	55.1
94.03683	1.9
94.04216	0.4
95.04893	0.6
101.09132	0.4
103.05385	0.4
107.85378	0.4
112.71905	0.4
115.05428	15.8
116.05793	0.6
117.03349	1.8
119.04923	37.8
120.05237	1.2
123.04408	1.6
130.04121	3.7
131.04903	1.2
132.05707	1.5
133.06497	5.8
134.03680	3.4
143.04942	23.5
144.05255	1.0
155.04977	2.4
156.05772	2.3
161.05998	5.4
164.04665	0.4
169.06454	0.7
184.05203	1.1
193.06523	0.5
205.06528	1.4
206.07338	2.8
207.08095	2.8
209.05951	0.5
210.06873	0.6
211.07352	0.5
219.08185	3.7
220.08871	1.9
221.06151	0.5
221.09688	1.3
223.07643	2.8
230.07300	2.5
231.08112	2.4
232.05421	0.5
232.08783	1.3
233.05997	2.0
234.06929	2.5
236.08275	0.5
237.09207	6.9
238.09700	0.8
239.10858	1.2
247.07652	7.1
248.08400	12.8
249.09195	88.8
250.09534	7.4
266.09195	0.5
267.10269	100.0
268.10599	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	267.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53753	1.2
57.03314	1.4
59.01252	2.5
67.70705	1.2
71.01263	2.8
71.01659	2.3
83.04916	1.4
93.03329	18.2
95.04897	2.2
106.04119	2.6
108.02054	2.8
115.05438	3.4
117.03355	2.3
118.13922	1.1
119.04924	12.8
121.02866	7.8
123.04430	2.7
130.04132	7.8
131.04933	15.2
133.06464	6.0
134.03633	10.2
143.04945	11.8
145.02785	3.1
145.06514	1.6
156.05679	2.3
159.04424	8.5
160.05196	21.7
161.05992	44.7
162.06337	1.6
195.08031	2.0
195.13853	1.6
197.09711	5.8
206.07344	1.6
207.08000	3.8
219.08098	3.6
220.08887	1.5
221.05992	1.8
221.09612	2.6
221.15353	2.8
223.07571	2.6
230.07516	1.5
233.06081	1.9
237.09175	16.0
246.06824	1.5
247.07570	11.9
248.08414	20.8
249.05399	2.5
249.06265	2.0
249.09177	63.3
249.14810	7.5
250.09549	6.1
267.06680	10.8
267.10248	100.0
267.15994	25.5
267.19455	3.3
268.10727	7.6
268.16159	1.9
277.56436	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0722
Annotation	2-O-(alpha-D-Mannosyl)-D-glycerate
Peak:m/z	Relative Intensity
57.03321	4.4
59.01250	29.9
62.34327	1.6
69.63292	10.4
71.01259	41.1
72.99185	5.3
73.02827	1.8
75.00751	16.5
78.95782	2.1
82.64279	1.5
83.01271	3.0
85.02827	36.1
87.00756	24.4
89.02318	13.1
91.03877	2.0
92.91882	1.5
95.01279	3.9
96.96867	1.9
99.00753	9.1
101.02335	1.7
103.00271	2.3
108.01877	1.7
113.02336	44.4
117.01833	3.8
117.75311	1.7
129.01799	2.4
131.04500	3.7
134.04698	1.8
135.03030	14.1
138.33551	1.7
151.02524	21.1
162.03984	1.8
162.43358	1.5
162.82907	1.4
165.73123	1.5
174.55798	1.6
175.02444	2.5
249.06117	4.5
257.70941	1.6
267.07230	100.0
268.07687	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	267.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01276	0.9
65.03885	1.0
69.58882	4.3
71.01305	1.5
85.02903	1.1
93.03336	48.6
94.03724	1.5
97.02964	0.8
108.02074	0.8
115.05431	10.2
117.03417	2.1
119.04919	34.4
120.05281	0.8
121.02901	2.2
123.04427	1.7
130.04201	1.6
131.04974	1.8
133.06540	1.3
134.03629	8.6
135.04436	0.7
143.04938	15.6
143.06001	1.1
144.05276	0.9
145.02902	0.8
156.05746	1.5
158.03690	0.8
161.05927	3.6
184.05281	1.6
193.06500	1.1
206.07382	2.3
207.08122	3.1
209.06027	1.6
210.06822	1.8
211.07654	1.3
219.08115	2.1
220.08871	1.4
221.09615	1.9
223.07635	8.5
230.07312	1.3
231.08032	3.1
232.08946	1.1
233.06056	1.3
234.06822	2.0
236.08459	1.9
237.09174	20.0
238.09587	1.8
239.10767	2.1
247.07594	5.5
248.08414	9.9
249.09184	100.0
250.09529	7.9
267.07251	3.1
267.10245	64.9
268.10501	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	267.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.6
71.56464	0.8
72.30015	0.3
72.99176	4.6
75.00740	3.1
90.85799	0.3
103.75558	0.5
105.01812	100.0
106.02147	1.5
119.20524	0.4
132.01993	0.5
133.02843	8.1
134.03629	1.7
135.04395	4.9
149.05925	0.7
161.02342	39.4
161.86861	0.3
162.02725	1.8
179.03374	2.8
198.50313	0.3
200.31487	0.3
267.05099	1.4
267.08554	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.073
Annotation	Inosine
Peak:m/z	Relative Intensity
59.01269	2.3
70.60464	1.4
70.60784	2.3
71.01256	1.5
71.62499	1.0
77.22999	1.0
87.00755	1.5
92.02412	5.3
99.05567	1.2
104.24296	1.2
108.01949	1.9
113.02341	1.4
126.03001	2.2
126.04800	1.1
135.03033	100.0
136.03416	2.0
258.73254	1.2
267.07352	28.3
268.07867	1.3
271.84473	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2173
Annotation	(R)-hydroprene
Peak:m/z	Relative Intensity
55.31816	0.8
59.01245	1.9
71.34115	1.4
85.26045	0.7
91.41860	0.8
96.95889	11.9
109.32629	0.7
118.09014	0.8
137.79906	0.8
176.25850	0.7
265.14935	7.4
265.21722	100.0
266.22073	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	266.0895
Annotation	Adenosine
Peak:m/z	Relative Intensity
50.30222	0.4
51.16058	0.4
57.02581	0.5
58.72123	0.4
61.15140	0.4
62.41302	0.6
64.45307	0.5
70.43251	1.1
70.43646	0.9
71.01257	0.5
71.03703	0.6
83.49924	0.5
86.48048	0.5
92.02445	2.4
107.03533	7.5
134.04625	100.0
135.04970	2.0
145.06071	0.7
217.49438	0.5
226.15421	0.6
266.08914	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	266.1398
Annotation	Metoprolol acid
Peak:m/z	Relative Intensity
57.03329	0.8
59.01230	1.9
63.39521	0.6
69.25565	1.4
69.25966	5.2
71.01261	0.7
95.04888	0.8
98.19762	1.1
101.02268	1.0
102.37218	0.6
109.21818	0.6
134.04590	1.5
140.86415	0.6
159.15100	0.5
180.10268	0.8
183.88986	0.6
190.12386	0.8
191.01840	0.6
204.13863	34.2
205.14238	2.1
208.88399	0.6
222.14943	65.1
223.13443	1.1
223.15302	4.3
248.12790	3.8
249.14946	0.7
266.13959	100.0
267.11069	1.2
267.14307	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	265.1808
Annotation	OPC-6:0
Peak:m/z	Relative Intensity
52.99880	0.5
57.03324	6.2
59.01246	3.5
69.03320	0.9
69.70425	2.4
71.01254	0.5
84.73186	0.3
85.06462	22.4
86.06802	0.6
96.95903	1.3
109.06493	0.6
111.08040	2.7
129.40680	0.4
149.09593	1.0
153.09064	0.5
167.10683	3.2
177.12727	0.7
179.10692	3.1
179.14221	0.4
195.13855	3.0
221.19069	2.6
247.16949	0.6
265.18076	100.0
266.18417	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	265.1809
Annotation	OPC-6:0
Peak:m/z	Relative Intensity
56.41870	0.8
56.81813	0.9
57.03314	2.3
59.01249	7.6
67.01723	1.1
69.03342	1.6
70.32860	4.2
71.01250	1.3
78.95782	25.1
81.03341	1.4
81.92576	0.9
83.04879	2.7
85.02815	3.0
93.03347	1.3
95.04938	1.4
96.95898	3.2
97.06487	2.2
99.52958	0.9
107.04893	3.4
109.06461	1.8
123.08057	1.7
125.09569	2.0
134.04581	2.3
135.07974	1.0
149.09631	2.3
151.11163	4.0
151.12265	0.9
167.10692	24.9
168.11142	1.4
177.09085	1.1
177.12775	3.1
179.14253	1.0
191.14516	1.2
193.12212	4.6
195.10240	5.0
195.13832	4.8
203.14343	2.0
203.17932	3.1
221.11832	2.1
221.15353	1.1
221.19098	1.7
223.13362	3.8
233.15436	3.7
237.15129	1.1
237.18484	2.2
247.13385	7.1
247.16995	12.9
248.17349	1.8
256.13144	1.2
265.08707	3.2
265.15027	6.7
265.18076	100.0
266.18396	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	265.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10618	0.3
54.97758	0.3
57.03320	1.6
59.01253	2.2
61.47997	0.2
66.68104	0.2
69.03310	0.4
70.45528	1.1
71.01225	0.7
83.04864	0.5
85.06479	0.5
93.03336	0.4
95.04916	0.5
96.95889	7.0
97.06467	1.2
111.08083	0.3
113.09587	2.4
118.98710	0.3
119.20909	0.3
119.98049	0.3
121.06490	2.5
123.08051	1.0
125.09605	5.3
126.58493	0.3
134.04620	0.7
139.11172	1.0
141.12772	1.5
151.11128	0.4
161.18631	0.3
167.14275	0.5
185.10176	0.6
185.11755	7.8
197.11771	2.5
221.11540	0.3
221.19049	1.6
228.96809	0.3
247.16922	0.8
262.78485	0.3
264.69040	0.3
265.14990	5.4
265.18054	100.0
266.18420	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	265.1806
Annotation	OPC-6:0
Peak:m/z	Relative Intensity
59.01246	2.1
61.37033	0.4
66.85948	0.4
68.02423	2.5
69.03329	0.6
70.08383	2.0
71.01227	0.5
80.02565	0.9
81.03322	1.9
83.95963	0.4
90.44239	0.4
97.06461	2.6
98.20096	1.2
99.08046	0.6
100.75325	0.4
113.05946	0.5
113.09586	0.4
121.10115	7.8
123.08049	0.4
125.05962	0.6
134.04501	0.4
139.07607	0.4
143.07033	13.2
144.07376	0.4
149.09630	1.6
149.13258	0.5
150.10413	0.7
151.11185	1.4
153.12735	2.0
165.12761	1.7
167.10689	1.8
177.12735	0.8
190.50507	0.5
191.14384	1.0
197.11758	1.3
203.18034	2.0
209.07378	2.6
219.17459	0.6
221.11835	0.8
221.19066	4.3
230.17325	0.5
247.13298	1.1
247.16995	10.7
265.07422	3.4
265.18066	100.0
266.18375	7.4
267.84967	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1809
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
51.40104	0.9
57.03316	3.3
59.01254	22.0
61.06702	0.8
65.03868	1.0
69.03310	1.8
69.60068	7.4
69.96781	0.7
71.01236	3.0
71.04889	1.2
78.95773	3.1
81.03317	1.0
83.04897	3.6
85.06474	9.4
95.04882	2.5
121.10178	1.1
134.04665	1.5
149.13260	10.9
167.10648	2.4
175.11194	2.4
177.12753	1.0
191.10773	1.2
193.12280	59.7
194.12622	4.3
202.56163	1.0
203.10654	1.0
203.18016	12.3
209.15584	0.9
221.11848	2.1
221.19183	1.7
237.14754	1.3
237.18579	1.3
247.13231	2.4
247.17015	43.6
248.17406	2.8
265.08685	2.1
265.14746	5.9
265.18082	100.0
266.18372	7.3
270.00552	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40426	0.2
57.98082	0.2
58.09615	0.2
59.01237	0.8
68.69596	0.2
79.95602	2.2
85.06490	0.3
94.30776	0.3
95.95118	0.6
96.95883	100.0
107.25199	0.2
134.04637	0.5
249.58389	0.3
265.14767	72.6
265.17651	2.6
265.21686	1.2
266.15036	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40742	1.3
57.03329	1.2
59.01249	7.6
65.97750	1.4
69.54132	8.5
70.63232	1.6
76.23116	1.2
83.04903	2.9
85.02844	8.2
92.42152	1.6
95.04905	1.4
98.20490	3.1
98.27660	1.3
109.06465	4.3
134.04607	2.7
135.08087	2.2
166.91975	1.6
177.16388	3.7
179.32431	1.4
203.14346	5.5
221.15427	100.0
222.15771	6.7
247.13388	8.4
265.08527	1.8
265.14417	15.9
265.17505	3.0
266.14801	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	265.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98018	1.0
59.01247	7.8
71.06424	2.1
71.06757	2.3
83.04917	1.6
85.02836	4.3
93.03326	1.7
95.04907	1.8
102.33447	1.2
109.06483	1.8
115.93912	1.1
117.70039	1.1
131.04941	3.5
134.04626	1.7
163.03888	1.5
177.16408	3.2
203.14326	3.9
219.13861	2.0
221.15430	100.0
222.15787	7.6
236.08569	1.4
237.09126	1.9
247.13341	7.1
262.96313	1.4
265.08664	8.1
265.14423	18.1
265.17896	3.2
265.21832	1.2
266.14725	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1446
Annotation	Hebelophyllene C
Peak:m/z	Relative Intensity
59.01250	4.0
62.97135	1.1
65.03835	74.4
66.04157	1.6
71.01251	2.7
71.57807	1.8
74.20722	1.0
93.03356	5.3
95.04913	2.5
106.04125	7.4
107.04925	1.3
118.04083	1.6
119.04872	1.3
120.05689	1.6
121.02815	2.4
121.06467	2.8
123.08012	1.3
130.04079	1.6
130.24675	1.0
131.04893	4.0
135.04401	3.6
145.30666	1.0
149.09627	2.9
159.04407	1.1
171.10181	7.4
199.09673	7.4
203.14337	10.5
204.14610	1.4
205.12309	1.3
219.13849	2.5
221.05992	1.9
221.11572	3.0
229.12286	8.1
235.07672	1.6
236.08366	3.5
237.09094	2.7
237.14949	3.7
247.13388	26.5
248.13710	1.7
264.07993	1.5
265.08517	22.8
265.14444	100.0
266.08939	2.4
266.14810	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	12.7
57.35520	0.6
59.01253	5.1
63.52539	0.5
70.45848	2.0
71.01241	0.8
80.02626	0.7
81.03348	1.9
83.04893	2.3
90.33028	0.6
95.04902	48.7
96.05241	0.8
97.02829	1.0
97.06463	6.8
101.02368	0.7
107.04910	0.6
109.06477	9.8
111.08079	0.8
114.16411	0.5
117.06938	0.7
122.03605	0.6
123.08050	2.2
125.09624	17.2
126.09975	0.9
133.04956	0.8
134.04637	1.0
163.11215	6.2
164.11647	0.7
165.12903	0.6
174.30080	0.7
179.14339	7.7
185.11696	3.3
203.14320	1.4
205.12231	0.7
207.10216	7.6
221.15492	1.3
223.13342	100.0
224.13690	6.7
233.11542	1.5
234.80792	0.7
237.15163	0.7
243.98416	0.7
247.13350	2.5
265.09225	4.3
265.14426	45.1
266.14777	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.4
57.03326	3.1
58.10670	1.6
59.01251	8.5
65.03833	9.3
69.03346	1.7
71.01247	7.5
71.57655	2.3
81.03329	26.0
83.04891	28.6
85.02829	2.0
93.03330	19.5
95.04901	5.6
97.06448	1.9
98.20213	1.9
101.02303	2.0
108.02049	3.3
109.02837	8.4
109.06455	4.7
110.03652	8.8
111.04400	60.8
112.04754	2.3
121.02825	3.3
121.71516	1.4
123.04410	3.4
125.09557	1.8
126.98579	2.3
126.99461	28.9
134.04636	4.4
134.47852	1.6
137.09592	2.5
139.11197	7.2
155.10622	3.2
161.43143	1.3
171.10152	5.8
177.12698	8.0
193.15881	11.4
198.32541	1.5
201.11156	2.7
203.10760	1.8
203.14369	3.4
209.11919	2.1
209.15265	1.7
219.13853	6.6
219.38074	1.3
221.11740	19.3
222.11958	1.6
237.05453	1.5
237.14925	96.1
238.15288	4.4
247.13348	22.0
265.14423	100.0
266.14639	7.9
272.45474	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1194
Annotation	gamma-glutamyltyramine zwitterion
Peak:m/z	Relative Intensity
52.68782	0.8
69.59423	1.6
69.59835	4.7
72.00787	1.1
73.00070	0.8
74.02340	5.4
82.02870	8.3
84.04419	10.3
86.02351	3.4
86.47363	0.9
98.02341	0.9
98.19772	1.1
105.31585	1.0
111.03135	2.4
112.03888	2.3
118.02879	1.4
120.04441	27.4
121.02830	1.1
128.03438	12.0
162.05467	1.8
163.03838	1.0
176.07126	1.2
190.73706	1.1
191.08202	1.7
205.09732	4.8
217.09778	2.6
219.11305	4.8
221.12929	6.4
231.07732	2.1
236.36218	1.0
245.09241	1.9
247.10861	62.7
248.11143	4.9
261.45139	1.0
265.11932	100.0
266.12247	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	265.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	11.1
57.47732	1.2
59.01021	1.1
59.01251	12.1
62.12495	1.2
65.03831	4.7
68.02386	1.7
69.03307	3.9
71.01254	5.7
71.58528	2.1
80.02525	1.6
81.03329	11.9
83.04898	16.1
85.02818	2.9
91.89329	1.3
93.03339	13.8
95.04900	38.0
97.06475	3.7
97.98434	1.2
106.04086	1.7
108.02049	1.5
109.02841	4.6
109.06477	10.4
110.03608	4.8
111.04403	35.0
123.04372	1.6
123.08042	2.0
125.09602	11.1
134.04643	2.5
139.11211	2.8
139.22672	1.4
154.98979	6.6
155.10727	2.1
163.11200	5.4
165.12772	3.8
171.10168	3.8
177.12822	3.0
179.14359	4.0
185.11731	2.2
193.15916	5.8
195.13948	1.7
203.14355	4.2
207.10204	3.7
219.13849	9.1
221.11835	11.7
221.15326	3.6
223.13345	45.8
224.13643	3.8
233.11528	14.8
237.14923	32.1
238.15244	2.3
244.35620	1.5
247.13402	15.7
264.98279	17.7
265.08734	3.8
265.14450	100.0
265.17929	8.7
266.14774	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	265.087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.6
59.91156	0.3
65.03831	0.5
71.57845	0.5
74.36690	0.3
93.03341	12.8
95.04906	0.7
107.04867	0.4
117.03355	0.4
119.04899	0.3
131.04932	2.8
133.02824	0.4
134.52805	0.3
135.04428	0.5
143.04930	1.9
147.66414	0.3
158.03574	0.4
171.04445	2.8
195.07999	0.4
197.93852	0.3
207.08023	0.4
209.05989	0.5
210.06659	0.4
217.06508	0.5
219.04672	0.4
219.08121	2.4
220.05190	0.4
221.06038	1.2
221.11617	0.3
221.15514	0.3
222.06807	0.7
223.07591	1.5
223.13347	1.4
235.07603	9.0
235.10030	0.5
236.08374	14.5
237.09164	12.4
237.11639	0.4
237.14857	0.5
238.09474	0.8
246.06883	0.4
247.07651	2.8
247.13336	1.4
263.07248	1.4
264.07864	2.4
265.08688	100.0
265.14374	2.6
266.09042	8.6
266.14993	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0871
Annotation	CHEMBL2147420
Peak:m/z	Relative Intensity
65.91689	0.9
69.39062	7.8
76.76099	0.8
93.03333	2.5
95.04910	2.2
98.19762	0.8
103.05371	1.8
106.04097	1.0
121.02842	0.9
121.05082	0.8
123.04407	3.3
130.04147	1.2
131.04926	100.0
132.05229	3.6
133.02884	1.2
134.03647	4.6
135.04390	1.3
147.04410	6.5
149.05991	7.0
159.04393	1.7
175.02513	1.3
175.03928	17.1
176.04131	1.5
188.92053	0.7
195.08002	1.1
207.07967	0.9
208.09052	0.9
209.09622	2.0
215.09926	0.8
221.11624	0.8
235.07555	3.5
236.08391	25.5
237.09166	21.9
238.09464	1.9
247.07542	1.0
247.13390	3.0
265.08670	50.0
265.14459	2.9
266.08948	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	265.0872
Annotation	Benzarone
Peak:m/z	Relative Intensity
56.26501	0.9
65.03840	2.2
69.82793	6.9
75.76183	1.0
89.61671	1.1
93.03338	39.2
95.04903	1.5
95.86934	1.2
108.02071	2.4
117.03355	32.4
118.03719	1.9
119.04906	1.1
121.02812	2.0
124.34265	1.1
130.04153	21.5
131.04948	7.6
134.03583	1.5
135.04405	3.9
143.04938	28.4
144.05588	1.7
145.06500	72.9
146.06808	3.0
158.03648	4.1
159.04410	14.9
171.04437	20.5
172.05223	12.6
175.03981	1.0
193.06586	1.1
203.14510	1.2
208.05159	2.0
221.06030	5.1
221.09659	1.4
221.11752	1.8
222.06837	6.1
223.07594	3.1
235.07565	4.4
236.08351	7.7
237.09146	13.7
237.14894	5.8
247.07581	2.4
247.13385	9.8
249.05498	3.2
250.06342	17.5
251.06468	1.4
264.07556	1.3
265.08694	100.0
265.14404	12.5
266.09055	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	264.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26569	0.2
59.01249	0.6
68.02411	0.2
70.05954	0.2
70.86660	0.3
70.86990	0.3
85.04401	0.2
91.01785	0.2
96.95877	1.5
112.33615	0.2
126.99457	100.0
127.99800	2.9
166.65482	0.2
207.01985	1.2
264.09152	1.5
265.08981	0.3
265.14700	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	265.0871
Annotation	Benzarone
Peak:m/z	Relative Intensity
56.54066	0.6
58.16409	0.6
71.45046	1.4
93.03340	15.6
119.04899	0.9
131.04887	1.4
135.04405	0.7
143.04930	1.8
163.30132	0.7
164.46700	0.6
171.04401	2.7
190.37267	0.6
219.08131	3.2
221.06044	1.4
223.07623	1.8
235.07587	9.1
236.08386	13.3
236.10583	1.3
237.09155	13.7
238.09575	1.0
247.07648	2.8
247.13370	1.8
263.07144	1.4
264.07944	2.0
265.08685	100.0
266.09036	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	265.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26501	0.9
65.03840	2.2
69.82793	6.9
75.76183	1.0
89.61671	1.1
93.03338	39.2
95.04903	1.5
95.86934	1.2
108.02071	2.4
117.03355	32.4
118.03719	1.9
119.04906	1.1
121.02812	2.0
124.34265	1.1
130.04153	21.5
131.04948	7.6
134.03583	1.5
135.04405	3.9
143.04938	28.4
144.05588	1.7
145.06500	72.9
146.06808	3.0
158.03648	4.1
159.04410	14.9
171.04437	20.5
172.05223	12.6
175.03981	1.0
193.06586	1.1
203.14510	1.2
208.05159	2.0
221.06030	5.1
221.09659	1.4
221.11752	1.8
222.06837	6.1
223.07594	3.1
235.07565	4.4
236.08351	7.7
237.09146	13.7
237.14894	5.8
247.07581	2.4
247.13385	9.8
249.05498	3.2
250.06342	17.5
251.06468	1.4
264.07556	1.3
265.08694	100.0
265.14404	12.5
266.09055	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	263.1498
Annotation	n-Hexyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01749	3.1
56.37121	1.2
57.03322	2.9
57.31444	1.3
58.00465	2.3
59.01253	21.6
71.01261	34.5
72.14403	1.6
72.99156	2.8
73.02817	11.9
79.64668	1.5
81.03316	1.5
83.01247	8.7
85.02827	17.0
89.02325	2.7
93.03320	1.9
98.20557	4.4
99.00769	2.8
101.02324	29.1
101.87160	1.3
113.02359	9.6
124.11363	1.4
125.09613	2.5
127.11227	2.8
129.01894	1.5
152.53369	1.3
155.10698	2.5
159.02856	1.7
161.04430	6.6
167.10724	2.3
171.10190	17.5
175.03972	7.3
179.21170	1.5
185.11748	4.2
201.11246	27.3
201.12956	2.0
209.11790	1.5
213.11255	8.7
219.13907	1.7
235.13283	3.4
245.11745	3.4
245.13997	8.3
263.15036	100.0
264.15454	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	263.1498
Annotation	n-Hexyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01757	13.2
57.03316	6.8
58.00459	2.8
59.01248	63.9
69.03342	1.5
71.01252	83.8
71.57613	2.3
72.99189	8.7
73.02818	40.2
73.03236	2.3
75.00728	2.5
83.01248	21.2
85.02824	57.4
85.99969	4.5
87.00745	4.6
89.02311	4.3
95.01270	7.1
97.02824	2.2
99.00765	14.2
99.08031	2.8
101.02319	100.0
102.02636	2.0
111.00748	2.6
113.02324	34.9
114.02691	1.7
124.05145	1.9
125.02347	2.0
129.01846	2.2
137.09750	1.4
159.02890	5.1
161.04466	19.2
245.11821	1.6
257.22064	1.7
263.14932	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	263.2016
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
55.31429	0.9
59.01238	1.6
70.92899	2.6
71.01299	1.1
72.86643	1.0
73.35970	1.0
85.44799	0.9
88.28275	0.8
98.14700	1.0
114.11095	1.0
172.56049	0.9
196.45703	1.1
263.20160	100.0
264.20477	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	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64450	1.2
59.01252	100.0
60.01571	1.7
68.02399	4.3
69.32298	1.2
71.01240	2.3
73.02792	1.3
76.85517	1.3
81.09818	1.1
85.00326	1.1
85.02824	3.1
85.92173	1.0
94.06491	1.7
96.73440	1.2
109.84607	1.1
113.02332	1.7
153.81104	1.4
156.12556	1.2
178.08627	1.4
185.00267	1.4
200.19273	1.3
216.28630	1.2
229.32935	1.4
233.44252	1.3
263.07425	7.0
263.12967	3.7
263.16516	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	263.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66568	1.0
59.01240	1.3
60.88350	1.1
64.53613	1.0
69.30000	1.9
69.30352	12.1
70.14368	1.1
71.20459	1.3
72.99177	22.1
75.00741	17.7
75.27022	1.0
82.26170	1.2
91.87344	1.0
98.20538	2.3
112.31960	1.0
133.04956	100.0
134.05301	2.7
147.06531	88.5
148.06870	2.3
227.68738	1.4
263.11285	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	263.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
66.66570	3.0
66.74876	3.2
70.48495	10.0
70.48839	4.0
71.01232	2.9
71.30209	3.0
72.99186	21.7
75.00744	15.7
86.79004	3.6
106.92303	3.0
118.11723	3.5
133.04022	6.1
133.04962	86.4
139.60864	3.3
147.06532	100.0
148.06862	3.7
187.97166	3.5
214.15947	3.5
263.11188	4.4
284.73853	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	263.1287
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
50.10878	1.8
57.03308	3.7
59.01232	7.0
71.01257	4.4
80.02525	2.4
82.86328	1.7
83.04913	4.4
85.02815	3.2
91.12218	1.7
93.03340	5.4
94.17300	1.8
95.04897	3.2
97.02827	9.4
98.67432	1.7
105.06971	2.2
107.04873	4.6
108.02029	2.9
108.05688	7.1
109.02805	7.6
109.06470	4.2
111.04388	13.7
113.05995	10.2
119.04922	2.1
119.08514	5.0
122.03615	10.3
123.04319	2.7
123.08029	8.0
124.05200	2.6
125.05965	14.4
136.05185	15.9
137.05998	5.9
137.09561	2.3
137.85196	2.1
138.06757	18.3
139.07552	34.6
140.07877	2.5
148.05177	10.7
149.05948	4.9
151.07547	77.5
152.04698	7.2
152.08344	39.1
153.09053	8.8
159.11739	5.3
161.09590	8.1
163.07530	14.5
167.07004	3.9
175.07545	2.1
175.11163	2.7
189.09077	7.6
201.12788	36.5
202.13243	2.8
203.10725	25.4
204.11490	66.2
205.11769	2.9
210.84024	2.2
219.10303	4.6
219.13840	100.0
220.14172	6.0
230.12148	3.2
262.99329	2.5
263.12833	11.8
263.16534	2.1
264.10428	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	263.077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
69.48069	8.2
71.01284	1.5
73.02838	1.3
73.45168	0.9
84.04428	1.9
86.47295	1.0
98.20507	2.2
101.02372	1.9
110.49244	0.9
113.02335	1.2
147.34450	0.9
153.00237	0.9
171.10222	1.5
201.11311	1.6
225.82419	0.9
263.15051	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	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
70.01890	4.4
71.20392	7.2
71.20720	5.1
83.01779	4.2
84.73419	4.7
93.58377	4.0
101.02359	5.0
101.06014	8.0
175.62975	5.3
177.03883	5.8
186.00093	5.0
217.62874	4.6
246.25478	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	262.0721
Annotation	Dimethylthiambutene
Peak:m/z	Relative Intensity
59.01250	1.6
70.56884	4.0
71.01260	13.4
77.27303	1.0
109.07805	1.5
115.00263	20.9
126.09929	1.4
131.04982	6.5
146.06032	100.0
147.04434	22.0
147.06343	4.5
156.07033	1.1
156.08081	6.8
174.09190	4.4
188.10056	2.8
200.07121	9.8
211.79338	1.2
218.08191	48.5
219.08424	2.7
262.07172	38.7
263.07355	3.3
263.12851	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	261.1343
Annotation	(Z)-3-Hexenyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03335	2.8
59.01249	64.2
60.26273	2.7
70.79130	10.4
71.01255	31.6
72.99224	3.0
73.02826	3.5
74.02340	11.6
85.02833	3.3
86.87918	2.6
89.02313	33.0
97.06472	3.1
101.02332	17.1
111.83155	2.8
112.07549	3.0
113.02332	13.1
116.03401	4.1
119.03391	9.5
125.09638	18.2
127.11155	6.5
132.04422	3.4
133.06812	8.5
145.06531	3.1
146.06029	6.4
155.10721	3.9
165.06487	2.5
165.09122	5.0
171.10309	3.5
181.12244	4.5
183.07704	4.6
187.09671	13.2
199.13373	8.8
201.11258	100.0
202.11589	3.3
207.10188	6.8
217.04948	3.3
217.14426	5.9
225.11241	27.1
227.06685	4.4
235.02985	3.1
242.07272	2.9
243.08043	11.3
243.12253	19.2
261.09241	24.8
261.13367	64.6
261.22394	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	261.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	3.9
58.02266	0.4
59.01247	0.9
69.03326	0.6
70.71722	1.0
71.01259	1.2
79.72640	0.3
83.04903	0.8
89.02300	0.4
91.03885	1.2
92.04841	0.4
95.04899	0.9
97.06464	11.6
102.65486	0.3
108.28399	0.4
115.00239	0.7
119.50957	0.3
123.08054	6.0
125.09612	100.0
126.09951	3.6
143.10704	1.3
146.06010	3.5
147.04428	0.3
158.53502	0.4
160.48033	0.4
169.08585	2.1
175.07581	0.6
176.08199	0.4
187.09682	76.2
188.10011	3.7
200.07088	0.4
217.08653	1.2
218.08138	1.7
235.96275	0.4
261.13425	20.4
261.22360	0.7
261.41464	0.4
262.07217	1.1
262.13785	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	261.1343
Annotation	Triethylene glycol diglycidyl ether
Peak:m/z	Relative Intensity
57.03323	3.8
59.01254	2.2
65.82497	0.4
69.03320	0.5
71.01247	1.7
71.57484	0.4
73.02814	0.6
74.02338	0.3
74.46903	0.3
83.01263	0.4
83.04916	1.0
85.02846	0.8
89.02310	0.6
91.03910	0.8
95.04897	0.7
96.04423	0.6
97.06466	10.3
97.45658	0.4
99.00797	0.4
101.02325	1.1
105.61208	0.3
108.62264	0.4
113.02351	0.4
120.08102	2.0
123.08051	5.1
125.09615	100.0
126.09953	3.7
143.10695	1.4
146.03644	0.4
164.07007	0.5
169.08635	2.4
171.10149	0.4
172.87434	0.4
174.12805	0.7
183.07608	0.5
187.09680	86.2
188.10037	4.1
192.47910	0.5
201.11214	0.5
261.13406	27.6
262.13800	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.088
Annotation	BBM 2040B
Peak:m/z	Relative Intensity
58.02850	17.7
59.01256	19.6
66.11987	1.7
70.02856	16.0
71.01253	12.3
71.14638	3.5
71.34415	1.6
72.99163	1.5
74.02349	29.5
85.02818	2.3
85.03943	3.1
87.05524	2.2
89.02320	11.0
90.01455	1.4
92.04922	1.4
96.00791	12.2
98.02359	7.9
101.02319	3.1
111.01890	1.6
113.02303	4.1
114.01855	16.4
116.03423	14.4
119.03368	4.1
125.09599	5.9
127.11205	1.9
128.03389	3.3
131.03671	3.5
132.04443	11.4
139.11168	3.6
140.07025	2.0
144.04456	2.5
146.06023	100.0
147.06384	4.3
155.08157	2.3
158.06010	5.4
165.06538	1.9
172.07558	1.7
174.09138	6.2
175.08652	4.4
183.10208	2.2
187.09653	5.5
199.08705	4.4
201.06682	2.4
201.11292	16.9
217.09785	23.4
219.07735	4.6
225.11276	3.6
227.06680	3.2
243.07715	34.4
243.12157	4.0
244.08061	2.6
261.08829	34.0
261.13297	13.7
261.17130	3.5
261.22220	2.9
262.09076	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	259.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	10.0
58.12064	0.9
58.86694	0.7
59.01249	2.7
66.53961	0.8
68.49771	0.7
69.03329	30.9
70.17090	3.4
78.95772	5.5
83.04917	0.9
85.02814	1.6
87.00745	2.2
87.04388	2.9
96.96830	6.1
98.19830	0.9
112.21686	0.7
127.11172	1.9
155.10701	3.4
166.08646	1.0
171.10184	72.3
172.10471	2.9
191.01207	0.7
199.09683	1.7
201.11221	1.5
215.12823	1.6
217.10817	2.0
259.02328	2.0
259.15500	100.0
260.15851	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	259.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
61.95638	2.4
63.42876	2.5
69.53133	10.0
69.53555	10.4
83.04891	5.9
98.20505	5.5
100.97066	3.0
123.89516	2.7
163.11188	6.1
181.12198	4.0
209.11774	100.0
210.12054	3.5
212.15569	3.1
227.12819	26.5
259.06195	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	259.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	10.0
58.12064	0.9
58.86694	0.7
59.01249	2.7
66.53961	0.8
68.49771	0.7
69.03329	30.9
70.17090	3.4
78.95772	5.5
83.04917	0.9
85.02814	1.6
87.00745	2.2
87.04388	2.9
96.96830	6.1
98.19830	0.9
112.21686	0.7
127.11172	1.9
155.10701	3.4
166.08646	1.0
171.10184	72.3
172.10471	2.9
191.01207	0.7
199.09683	1.7
201.11221	1.5
215.12823	1.6
217.10817	2.0
259.02328	2.0
259.15500	100.0
260.15851	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	259.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	18.8
71.01255	1.5
71.57679	1.5
75.00748	3.2
76.01057	1.1
77.55090	1.0
78.95782	1.9
83.02363	1.0
83.66717	1.0
97.06470	1.1
115.05507	1.2
125.09598	2.8
127.11175	2.3
137.09619	9.7
151.11302	1.2
153.09113	1.7
155.10680	100.0
156.11043	4.5
161.09755	1.2
169.12267	1.8
171.10175	34.6
172.10535	2.3
179.10707	2.1
180.95772	1.2
181.08696	3.1
197.11784	20.0
198.21603	1.3
199.09680	30.2
200.09976	1.2
213.11270	3.6
215.12831	35.6
216.13190	1.8
217.10756	79.0
218.11153	5.4
223.09685	1.6
241.10689	2.0
259.02127	1.3
259.11835	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	259.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18191	1.8
57.50016	2.1
59.01261	4.4
68.88660	2.1
71.57572	3.3
75.00750	4.8
78.95786	5.5
80.96391	49.4
81.57519	2.0
83.04905	2.7
85.02814	2.4
93.03310	2.9
96.95866	2.1
121.02867	2.9
123.04396	2.0
160.93446	2.0
165.77731	1.8
169.12263	100.0
170.12509	3.9
171.10149	8.4
181.12305	2.8
185.11778	2.2
199.02368	2.0
213.11308	8.1
227.12808	16.5
231.12326	8.3
256.75223	2.3
259.02411	2.5
259.09641	4.8
259.15506	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	259.0222
Annotation	D-Hexose 6-phosphate
Peak:m/z	Relative Intensity
54.78484	1.0
55.69202	1.1
61.44292	1.0
64.06327	1.1
67.56342	1.0
70.38434	3.6
72.59657	1.1
78.95770	100.0
82.62543	1.2
92.99592	1.1
96.96832	78.4
98.20112	2.7
101.02307	1.5
138.97899	5.4
146.75891	1.1
168.98967	2.7
171.00569	2.5
199.00029	4.1
213.05139	2.1
216.90262	1.1
241.01060	2.4
258.91876	1.7
259.02213	88.6
260.02646	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0223
Annotation	D-Hexose 6-phosphate
Peak:m/z	Relative Intensity
53.60860	0.5
60.98603	0.5
69.46510	3.6
69.55170	0.5
71.01239	0.7
73.02808	0.6
75.50742	0.5
75.75830	0.5
75.76257	0.5
78.95780	81.9
79.00733	0.6
96.96845	100.0
98.19842	1.1
101.02313	0.7
102.05518	0.6
107.42149	0.5
113.03516	0.5
122.47124	0.5
128.03455	0.7
130.08653	2.0
138.97923	6.0
144.94826	0.6
168.99026	2.0
195.09402	0.5
199.00058	2.7
215.13826	0.5
230.03125	0.6
241.01180	1.4
241.11934	0.6
259.02237	10.8
259.12985	1.2
260.02237	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1758
Annotation	Tetradecanedioic acid
Peak:m/z	Relative Intensity
52.23782	0.3
57.03311	0.5
58.00481	0.3
59.01252	0.5
63.83731	0.2
70.23553	0.8
70.23959	0.6
71.01275	0.3
72.02033	0.7
79.46329	0.3
82.91547	0.2
106.14748	0.2
132.75797	0.2
148.18866	0.3
167.14380	0.7
169.15915	1.5
173.59702	0.3
183.17430	0.3
185.15311	0.5
195.13863	0.9
195.17564	0.4
197.15419	1.7
211.16885	1.5
213.14915	9.9
214.15190	0.6
221.15474	1.0
227.16525	1.7
237.14966	0.5
239.16496	6.8
240.16959	0.6
255.16026	3.6
256.16245	0.3
257.17584	100.0
258.17923	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	257.2121
Annotation	15-Hydroxypentadecanoic acid
Peak:m/z	Relative Intensity
51.00406	0.7
59.01253	100.0
60.99126	0.8
70.17847	1.7
70.18232	2.5
73.19673	0.8
98.19868	0.9
187.33801	0.8
191.25777	0.8
198.07642	0.7
251.27750	0.7
257.21228	38.7
257.23895	3.2
258.21597	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	257.2121
Annotation	2-hydroxypentadecanoic acid
Peak:m/z	Relative Intensity
59.48940	0.8
69.49558	7.1
91.28374	1.0
93.16943	0.8
98.26673	0.8
108.04977	0.7
127.82279	0.8
134.06456	0.8
136.16304	0.8
173.88643	0.7
194.77924	0.8
197.85909	0.8
207.17538	0.9
209.19086	3.8
211.20615	71.2
212.20959	6.0
239.20178	1.5
257.21222	100.0
257.23804	5.7
258.21588	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	257.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41541	0.4
55.76110	0.4
57.03327	0.4
58.12126	0.4
69.34168	4.1
71.01214	0.5
77.18230	0.4
83.04892	0.8
106.04027	0.5
112.86455	0.4
125.09608	0.7
153.12778	1.0
155.14336	2.2
174.47241	0.4
181.12234	0.6
187.28415	0.4
193.15910	0.7
195.17519	2.1
199.13354	4.0
207.10152	0.6
209.15480	0.5
211.17006	1.7
220.96037	0.3
221.15419	0.5
225.11261	1.3
237.14946	2.6
239.16501	9.0
240.16837	0.8
257.17569	100.0
258.17917	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	257.1758
Annotation	Tetradecanedioic acid
Peak:m/z	Relative Intensity
69.61787	1.0
69.62190	2.6
73.02820	5.3
85.02833	1.5
97.06513	0.5
97.48880	0.5
107.38219	0.5
125.09599	0.9
132.25774	0.4
141.84515	0.4
160.20016	0.6
167.14404	0.5
169.15929	1.0
171.10164	0.7
180.66304	0.5
183.13863	8.5
184.45532	0.6
184.69386	0.4
195.13824	6.5
198.26900	0.5
211.13388	0.6
213.14925	11.8
214.15245	0.9
221.15321	3.0
239.12865	1.1
239.16522	9.2
240.16895	0.5
253.30342	0.5
255.16005	1.9
257.17569	100.0
258.17917	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	257.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.6
59.01243	0.7
69.62197	2.3
71.01266	0.6
71.04864	0.3
73.02438	0.5
73.02818	5.8
83.04911	0.4
85.02827	1.5
111.24284	0.3
125.09624	0.8
162.35136	0.3
166.37004	0.3
167.14325	0.7
169.15881	0.8
171.10158	1.4
177.12798	0.3
181.12231	0.4
183.13843	9.9
184.14130	0.7
185.11757	0.5
195.13837	7.2
211.13280	0.5
213.14896	12.3
214.15192	0.6
221.11823	0.8
221.15417	2.9
239.12962	1.5
239.16484	9.2
240.16885	0.9
255.15926	2.4
257.17560	100.0
258.17920	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	257.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	2.8
57.03328	11.2
59.01245	4.9
69.03330	4.5
71.01252	11.2
71.04893	24.6
81.03324	1.9
83.04885	3.8
85.02818	24.7
86.25185	1.2
94.06459	1.5
95.04926	2.8
97.02844	1.5
97.06456	14.8
99.00754	11.8
105.92172	1.2
106.04147	1.3
109.06466	2.2
110.03573	2.2
115.87653	1.2
123.08078	12.8
125.09615	93.3
126.09895	3.0
130.29903	1.2
142.02614	1.3
153.09138	7.9
153.12740	3.0
163.11185	30.9
164.11490	1.7
171.10185	26.8
176.96979	1.6
177.12744	2.1
179.10693	3.7
181.12256	53.9
182.12624	3.1
183.13789	4.6
185.11736	10.7
195.13838	8.4
197.11761	3.4
201.11166	1.9
207.10185	15.8
211.13318	6.2
213.14920	7.3
220.14081	1.3
221.11842	12.9
225.11279	40.8
226.11566	2.0
231.41154	1.3
239.12849	29.5
239.16455	3.0
240.13193	2.2
257.13910	100.0
257.17520	36.3
257.23959	3.7
258.14258	9.4
258.17786	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	257.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44389	1.0
54.63688	1.2
54.85408	1.2
55.01756	2.1
56.76251	1.0
57.03327	9.1
59.01248	1.9
69.03320	3.8
71.01258	2.3
71.04893	21.6
80.02501	1.3
81.03331	1.7
83.04908	2.2
93.03334	3.2
95.04897	2.2
97.02824	4.5
97.06466	18.3
99.00764	19.3
109.06462	2.2
120.08066	2.4
122.05992	3.5
123.08041	12.3
125.09617	100.0
126.09954	3.7
135.06779	1.2
135.08006	1.3
136.07573	3.0
142.02647	1.3
153.09134	6.3
153.12700	3.4
163.09850	1.1
163.11208	21.9
164.11530	1.4
169.08586	1.4
179.10724	3.5
181.12265	60.6
182.12585	3.7
198.28471	1.1
206.27763	1.3
207.10210	41.3
208.10509	2.8
213.14899	3.0
225.11267	79.3
225.43756	1.3
226.11636	5.9
239.12840	3.4
242.10391	1.7
243.12387	1.9
257.13947	34.1
257.17645	2.6
257.23926	3.0
258.14133	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	255.1965
Annotation	Lyngbic acid
Peak:m/z	Relative Intensity
58.21404	0.3
59.16579	0.3
98.20654	0.7
111.08047	0.3
159.11150	0.3
165.19878	0.3
181.15938	0.4
191.06641	0.3
205.12462	0.3
209.19124	1.0
219.84415	0.4
237.18570	0.5
245.87836	0.3
253.18120	1.1
255.19652	100.0
255.23257	33.2
256.19995	9.9
256.23605	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	255.072
Annotation	Unknow
Peak:m/z	Relative Intensity
70.74725	13.0
75.00744	12.6
78.95795	7.9
99.21114	6.5
127.04973	7.2
128.03381	10.3
133.62817	6.8
241.36124	7.9
255.09787	6.9
255.23277	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	255.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95192	0.4
79.95645	1.0
82.88018	0.2
83.37505	0.2
97.99834	0.2
98.20179	1.4
183.01137	3.8
184.01904	0.9
197.02715	37.6
198.03487	11.4
199.03812	0.6
230.02496	9.3
231.02763	0.3
243.79375	0.3
255.10579	100.0
255.23238	6.9
256.10889	6.1
256.23581	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55350	0.2
79.95632	1.0
96.78168	0.2
115.01190	0.2
133.06479	0.2
136.84782	0.2
166.10161	0.2
183.01118	2.7
184.01871	0.9
191.14307	0.4
197.02704	43.6
198.03450	7.6
199.03900	0.2
211.04272	1.0
212.05074	0.7
216.00941	0.4
225.05740	0.4
226.06615	0.3
230.02490	5.0
244.04070	0.7
255.10579	100.0
255.23257	8.9
256.10883	7.5
256.23615	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.16
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	4.1
59.01249	4.6
69.03335	1.0
70.63497	1.2
70.63858	1.4
71.01257	1.3
72.02032	1.7
73.24980	0.5
77.40054	0.6
81.03329	0.9
83.04906	1.3
97.06459	1.0
98.03614	0.9
99.08035	2.0
108.42110	0.6
109.06467	1.5
111.04410	1.2
111.08038	13.3
113.05992	0.8
113.09618	1.7
127.07546	1.1
129.09103	2.5
137.05972	2.0
139.11198	1.1
141.05463	1.2
143.06956	0.7
155.07031	6.9
167.14351	4.2
175.14842	6.1
183.01176	1.3
183.13811	3.0
183.17448	1.1
193.15953	3.8
194.92705	1.0
195.13824	7.9
197.02713	10.3
197.04402	1.2
198.03462	1.5
209.15393	1.1
211.04228	1.2
211.17085	1.4
212.04871	0.8
230.02502	2.2
237.14906	10.9
255.10605	27.2
255.15999	100.0
255.23259	47.0
256.10855	2.5
256.16312	8.1
256.23596	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79343	0.5
55.22343	0.5
57.03329	0.7
59.01244	1.2
69.50092	4.1
71.01247	1.7
72.02040	1.8
98.03585	0.6
98.21137	0.5
100.29866	0.5
167.14349	5.0
183.13890	3.2
193.12160	0.5
193.15880	0.6
195.13849	10.4
209.15431	1.2
209.20229	0.5
211.17006	1.5
213.15060	0.6
219.13896	0.8
237.14972	10.7
238.15289	1.2
255.16023	100.0
255.23267	21.1
256.16327	8.2
256.23685	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13882	0.9
56.43026	0.9
59.01247	3.4
69.03323	0.9
69.37778	0.9
70.69950	3.4
70.70298	0.9
71.01232	1.0
97.55891	1.0
97.71091	0.9
109.06503	1.0
125.09624	2.4
171.10178	60.4
172.10486	2.4
176.70523	0.9
191.17998	1.1
216.96951	0.8
217.15865	1.3
223.17110	1.0
235.16992	69.8
236.17381	4.6
253.18053	100.0
254.18398	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	253.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31997	1.0
53.33675	0.9
59.01247	3.4
69.91499	4.7
71.01252	1.9
98.19899	1.5
108.42591	1.0
143.95041	1.0
149.98857	1.0
158.89670	1.1
171.10204	33.7
172.10535	1.7
195.13814	3.9
217.15997	1.6
235.13255	2.4
235.17004	45.0
236.17334	3.4
253.18063	100.0
254.18430	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	253.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61892	0.9
57.37190	1.1
59.01254	2.9
61.58252	0.9
63.90311	1.1
70.64092	2.2
70.64452	1.9
71.01267	1.0
90.57802	1.0
95.24799	1.0
110.06835	1.0
156.86826	1.0
192.49742	1.0
204.74303	1.0
223.17021	17.7
235.17023	40.1
236.17314	2.4
253.18089	100.0
254.18321	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	253.2171
Annotation	Sapienic acid
Peak:m/z	Relative Intensity
56.71139	11.7
58.47161	11.3
59.01261	16.9
60.34014	10.5
62.72467	11.1
98.20537	43.1
179.59427	12.8
183.41467	11.1
229.41522	13.0
253.21729	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	253.2172
Annotation	Delta2-cis-Hexadecenoic Acid
Peak:m/z	Relative Intensity
56.21109	0.5
56.78687	0.5
58.52210	0.5
59.01234	0.8
59.55928	0.5
70.22784	1.5
70.23185	0.7
70.49127	0.6
75.06658	0.5
98.19842	0.6
109.55400	0.5
114.61050	0.6
138.37164	0.5
170.21674	0.5
182.11061	0.4
253.21712	100.0
254.22054	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	253.2172
Annotation	Delta2-trans-Hexadecenoic Acid
Peak:m/z	Relative Intensity
58.12111	0.8
59.01239	2.6
62.37719	0.7
69.63663	0.8
69.87851	4.1
80.33126	0.7
93.38164	0.7
121.02819	1.3
226.57840	0.8
239.36711	0.8
253.21710	100.0
254.22064	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	253.1444
Annotation	Nardosinanol H
Peak:m/z	Relative Intensity
55.83794	1.3
59.01240	4.6
64.54507	1.2
65.03838	71.5
66.04137	1.7
80.02532	2.7
81.03329	5.7
83.04901	14.1
85.02757	1.3
93.03326	5.8
95.04890	1.7
97.06470	7.0
110.03634	1.8
118.62992	1.3
119.04970	2.0
119.25622	1.2
121.02834	1.2
123.08041	3.7
125.05942	1.4
125.09618	51.6
125.79862	1.2
126.09953	3.8
134.03586	1.6
135.08054	1.6
163.11183	4.6
165.12709	1.8
207.13828	3.8
209.11786	86.3
210.06738	2.4
210.12105	4.9
217.12280	2.9
223.07651	2.8
224.08157	2.1
225.09082	2.7
232.61169	1.4
235.13377	100.0
236.13699	9.9
253.08737	23.9
253.14375	5.4
253.21649	3.0
254.09000	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	253.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06905	0.5
57.03336	1.1
59.01255	17.9
62.88765	0.5
65.03852	0.7
69.03332	1.2
70.82021	0.8
70.82363	1.4
71.01235	1.4
75.51804	0.5
78.18229	0.5
81.03321	0.6
83.04900	0.9
87.00754	10.8
89.02334	1.0
93.03342	4.7
93.06984	1.0
95.04887	1.2
97.06434	0.8
101.02335	0.9
106.04092	0.8
119.04868	0.8
121.02876	1.4
123.04472	0.7
136.53557	0.6
147.11700	11.0
148.11995	0.8
173.13281	100.0
174.13612	8.5
175.11220	2.4
176.70609	0.7
191.10643	0.7
191.14397	1.1
193.12253	1.3
209.06013	0.9
209.15489	0.6
210.06761	1.5
220.43813	0.6
223.07643	2.2
224.08383	1.5
225.09160	2.4
235.13379	3.0
252.07973	0.7
253.08705	19.5
253.14429	16.9
253.17134	0.6
253.21722	2.7
254.09093	2.1
254.14778	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1444
Annotation	Russulanorol
Peak:m/z	Relative Intensity
57.03326	0.6
59.01252	4.7
70.07464	0.7
70.48814	1.3
71.01239	3.0
71.04899	0.7
73.02822	1.6
75.69193	0.6
80.02568	0.7
81.03317	1.2
83.04904	2.3
84.02056	1.3
87.15398	0.6
89.02310	0.9
93.03392	1.0
95.04907	3.1
97.02841	1.9
97.06471	0.9
98.19954	0.7
99.04379	0.7
101.02336	1.4
106.04136	1.2
108.02043	0.9
109.06450	2.1
110.03622	3.5
111.04391	1.0
121.02823	1.0
121.06432	0.9
136.05319	0.7
153.55980	0.7
179.14294	0.7
189.12730	1.5
191.14355	7.3
192.14636	0.6
195.13806	1.5
197.15382	2.4
207.13895	2.1
209.15413	18.9
210.15837	1.4
217.12334	3.3
223.17003	1.7
225.14839	4.4
235.13362	53.8
235.16797	6.4
236.13698	4.8
253.08989	2.3
253.14433	100.0
253.18071	14.6
253.21686	2.0
254.14771	9.2
254.17439	0.8
254.18597	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1444
Annotation	Aspergillide A
Peak:m/z	Relative Intensity
50.23685	0.8
52.47112	0.8
57.03314	0.8
57.93749	0.8
59.01255	100.0
60.01584	1.0
63.19182	0.7
67.60834	0.7
69.32233	8.3
70.14232	0.7
71.01254	2.1
80.02568	0.8
81.03324	1.9
83.04897	2.6
89.02319	1.4
93.03336	2.2
101.02317	2.3
113.02317	1.0
119.04856	1.0
121.02837	1.2
134.23680	0.7
149.09616	2.3
171.10306	0.9
178.99911	0.8
184.71785	0.8
191.14339	2.9
193.12268	7.0
209.15469	1.1
223.07710	0.9
225.08995	1.2
226.07323	1.1
235.13301	2.5
235.60757	0.8
248.86990	0.7
253.08795	10.5
253.14442	37.5
254.08940	1.2
254.14792	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	253.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68782	3.3
57.03306	7.4
58.00474	8.6
59.01250	89.4
69.03326	9.0
71.01256	15.3
71.06938	5.2
82.50217	3.6
83.01226	3.4
83.04904	5.3
89.02322	4.3
94.88764	2.8
95.04927	3.5
97.06446	19.2
101.02320	7.1
101.05988	3.7
109.06468	11.8
111.08037	74.2
112.08375	5.5
116.47154	3.1
121.06505	7.3
127.07556	6.7
135.08018	7.7
137.09653	5.6
139.07549	8.7
139.22923	3.7
141.05472	100.0
142.05820	3.9
143.07050	10.3
143.73625	2.9
155.07051	17.3
163.11093	3.6
171.06435	3.9
173.13266	16.5
191.14349	23.8
207.13873	5.1
223.04369	4.1
235.13306	23.8
236.75681	3.0
243.10304	3.5
253.09026	35.4
253.14418	46.7
253.21616	5.1
254.04866	3.9
254.14511	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	253.1443
Annotation	Aspergillide A
Peak:m/z	Relative Intensity
52.96454	0.5
59.01252	100.0
60.01593	1.4
68.48428	0.7
71.06156	1.2
81.03333	1.0
83.04919	2.4
85.02846	0.6
121.02815	0.6
123.08037	1.2
132.76411	0.6
149.09627	1.7
166.90195	0.7
167.11914	0.6
191.14349	2.5
193.12254	6.6
241.92569	0.7
253.08849	1.2
253.14423	30.5
253.21761	1.6
254.14703	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	253.0868
Annotation	3,7-Dimethoxy-5-hydroxyphenanthrene
Peak:m/z	Relative Intensity
59.01249	1.9
65.03833	1.7
71.57216	0.8
93.03336	21.6
106.44900	0.7
109.02841	0.9
114.53143	0.7
119.04902	8.5
121.02845	34.1
122.03188	1.8
123.04385	1.0
125.09615	1.0
138.71608	0.7
145.06477	1.0
159.04305	0.8
171.10182	2.6
183.08109	0.8
191.14368	1.1
206.07439	1.0
207.08122	1.6
209.05997	4.7
209.11777	1.6
210.06802	5.5
211.07361	0.9
223.07581	7.4
224.08153	4.9
225.09151	9.9
235.07584	3.2
235.13303	3.7
236.08307	1.0
253.05301	3.2
253.08676	100.0
253.14354	2.8
254.06406	1.1
254.09050	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	253.0926
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
53.01022	1.1
59.01250	100.0
59.28099	1.0
60.01573	1.6
65.67238	1.1
70.97684	2.2
71.01257	10.4
72.99193	1.3
73.02821	1.8
73.15802	1.2
75.99681	1.1
85.02830	3.3
89.02315	11.6
91.55554	1.3
101.02312	13.5
113.02312	5.1
116.23447	1.0
119.03380	2.5
161.03249	1.3
161.04422	7.1
179.05452	1.2
192.54533	1.1
193.07138	5.2
196.36337	1.4
200.84096	1.1
235.28687	1.2
253.09239	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
71.01255	5.0
71.22301	2.0
71.22657	1.6
73.02776	2.1
89.02306	6.3
101.02311	9.3
113.02328	2.8
119.03378	2.1
128.19107	1.2
129.69714	1.4
161.04408	1.9
179.05550	1.7
193.07100	4.3
253.09114	6.0
253.21848	1.6
253.28015	1.5
261.98532	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	252.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	10.2
60.22627	0.3
71.01248	2.6
71.06207	0.5
71.12486	0.3
73.02842	0.5
79.95619	0.3
81.03326	0.8
83.04914	0.4
85.02822	1.1
89.02320	2.0
95.01283	0.4
96.95850	0.5
99.04393	0.4
101.02323	3.4
113.02320	1.7
119.03378	0.7
140.81691	0.3
141.08998	0.2
143.03424	0.3
161.04462	1.5
164.14384	4.7
165.14670	0.4
179.05519	0.4
181.12440	0.4
188.11322	0.3
190.12279	1.0
191.14395	0.3
193.07106	0.6
204.13872	1.2
206.15378	0.9
208.13312	1.8
215.56319	0.3
216.13922	0.3
222.14977	4.8
223.15157	0.5
232.13535	0.4
234.14970	12.3
234.17365	0.6
235.13240	1.4
235.15311	1.0
237.05952	0.5
250.14478	2.2
252.16031	100.0
253.09062	12.2
253.14394	1.2
253.16472	8.0
253.21754	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0716
Annotation	Sporovexin B
Peak:m/z	Relative Intensity
52.02747	0.6
59.01251	16.0
69.97932	0.6
71.01255	3.0
71.04877	2.2
71.57244	0.9
72.99175	1.8
73.02830	0.6
75.00753	1.3
85.02822	1.2
89.02322	2.6
93.03333	51.2
94.03663	1.6
101.02324	2.9
113.02311	1.3
115.03899	21.8
119.03429	0.8
121.02809	1.3
133.04958	10.8
137.02339	100.0
138.02669	4.7
143.03421	0.6
145.89571	0.7
149.02328	0.9
151.03940	0.9
161.04480	1.5
163.07561	2.8
179.09505	0.6
204.20792	0.6
253.07011	1.4
253.09198	2.5
253.21675	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	251.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54262	0.6
54.03676	0.7
57.03323	0.8
59.01241	2.8
60.62488	0.7
69.03338	2.0
70.92818	1.6
71.01250	1.2
74.13262	0.7
83.04898	0.7
121.02817	1.1
123.48267	0.6
169.12311	0.9
169.89607	0.7
177.12732	0.6
189.16348	1.1
195.13860	11.2
204.95164	0.6
207.13783	3.6
207.17485	5.6
208.17831	0.9
221.15421	1.9
223.16994	20.5
224.17316	0.7
228.07095	0.7
233.15430	19.3
234.15720	1.7
251.12401	2.8
251.16524	100.0
252.03925	0.8
252.16879	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	251.2015
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
51.75700	0.5
55.11818	0.6
58.61720	0.5
59.01252	1.6
59.25267	0.5
69.51213	2.1
69.51642	1.9
81.34494	0.5
98.20623	1.0
122.17059	0.6
171.26341	0.5
233.19014	1.0
251.20137	100.0
252.20488	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	252.0731
Annotation	Neopterin
Peak:m/z	Relative Intensity
59.01246	3.5
60.95711	0.2
68.02422	0.3
71.01244	1.0
73.51031	0.2
76.45331	0.2
79.95604	100.0
80.95564	0.6
80.96378	0.6
82.01604	0.7
82.71304	0.2
89.02348	0.5
93.03399	0.2
98.19760	0.5
101.02314	0.8
101.05995	0.3
109.06471	0.4
119.03385	0.4
126.12747	0.7
134.99823	0.2
139.08691	0.7
160.11646	0.4
166.09749	0.8
170.11844	0.3
178.62558	0.2
188.11073	8.0
189.11298	0.5
191.14255	0.6
209.15550	0.3
223.04234	0.5
235.13319	1.7
237.05859	0.7
252.07303	38.9
253.09235	8.5
253.14444	1.4
253.21733	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.7
59.01258	2.2
69.03325	2.0
69.85603	1.4
71.01257	0.5
71.04900	0.4
77.31815	0.3
79.71893	0.3
80.18993	0.3
81.03310	0.3
83.04898	0.9
88.46333	0.3
109.06469	0.3
113.09580	0.3
117.27667	0.3
123.08062	0.5
134.78865	0.3
137.84827	0.3
151.05656	0.3
153.12704	0.3
155.90575	0.3
177.12752	0.5
180.95940	0.3
189.16440	1.3
195.13843	10.9
196.14204	0.4
205.15970	0.8
207.13858	4.5
207.17462	6.6
208.17773	0.7
211.99879	0.3
215.14240	0.3
216.14816	0.3
221.15428	1.2
223.16988	24.5
224.17368	2.4
233.15428	19.5
234.15714	1.8
251.16505	100.0
252.16847	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	251.165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	0.9
59.01231	1.7
69.03319	2.1
69.60762	0.5
69.92718	1.7
69.93129	1.1
71.01241	0.6
85.92001	0.6
92.97737	0.5
104.89013	0.6
109.06426	0.5
112.88646	0.6
121.02840	1.0
125.09623	0.9
125.10468	0.6
131.50375	0.5
140.72894	0.6
171.10255	2.6
173.44377	0.5
195.13847	10.2
196.14102	0.7
207.13953	2.8
207.17484	7.0
208.14162	0.5
208.17758	0.9
223.16983	25.1
224.17268	2.4
233.15424	19.2
234.15778	1.6
248.51042	0.6
251.16512	100.0
252.16867	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	251.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48783	0.4
57.03324	0.8
59.01245	2.2
62.62276	0.5
69.03318	1.6
71.01241	0.6
71.29228	0.9
72.38497	0.4
83.04913	1.1
97.06457	0.5
99.08055	0.6
109.06508	0.5
121.02842	1.5
125.53281	0.3
137.35638	0.4
150.06912	0.4
189.16522	0.6
195.13841	10.2
196.14139	0.8
205.15953	0.6
207.13855	3.5
207.17491	6.5
208.17747	0.5
209.11807	0.6
215.14325	0.6
221.15460	0.8
223.16989	24.2
224.17360	1.8
233.15436	19.0
234.15862	1.8
251.16519	100.0
252.07288	0.4
252.16862	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	251.165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.9
59.01255	1.8
66.02589	0.3
69.03320	1.9
70.16711	0.4
70.17060	1.1
71.01247	0.5
80.02586	0.3
83.04896	0.9
95.04887	0.3
99.08044	0.4
100.07871	0.3
109.06451	0.6
177.12732	0.4
181.12184	0.3
189.16368	0.8
195.13843	8.6
196.14159	1.1
205.15948	0.6
207.13876	3.5
207.17497	6.4
208.17860	0.6
215.14380	0.3
221.15390	0.4
223.16988	24.3
224.17334	2.1
233.15421	16.9
234.15805	1.6
251.16499	100.0
252.16844	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	251.165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79890	0.6
57.03322	1.1
59.01252	2.4
59.99924	0.6
68.87823	0.7
69.03335	1.9
69.61433	2.3
69.61870	2.8
70.75125	0.6
71.01262	1.0
83.04882	0.6
121.02843	2.5
163.03845	0.6
177.64113	0.6
183.92227	0.7
189.16451	1.1
195.13850	12.8
205.15981	0.8
207.13910	4.4
207.17468	7.8
208.14247	0.8
221.11592	0.8
221.15376	1.2
223.13585	1.1
223.16980	22.6
224.17433	1.3
233.15419	19.4
234.15758	1.9
251.12885	4.0
251.16521	100.0
252.16856	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	251.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28812	0.4
57.03308	1.0
59.01240	2.1
59.48040	0.4
60.79729	0.4
61.05016	0.4
69.03331	1.1
69.35349	0.5
69.35754	3.7
75.38416	0.4
81.00302	0.4
81.87147	0.4
87.52901	0.4
88.31019	0.4
94.02910	0.4
95.25676	0.4
97.06483	1.3
97.87764	0.4
98.19794	0.6
99.08051	2.9
100.19852	0.4
106.10269	0.4
107.04903	1.6
108.98979	0.4
123.08064	1.0
125.09600	4.4
125.70061	0.4
127.44836	0.4
135.95219	0.4
160.11942	0.4
177.12842	0.5
195.13890	3.9
196.14143	0.5
205.16006	0.5
207.13885	1.4
207.17458	5.8
208.17844	0.6
223.16975	13.4
224.17384	0.8
233.15413	10.7
234.15878	0.8
251.16505	100.0
252.16838	9.7
264.60162	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81752	0.4
57.03312	0.8
59.01250	1.6
69.03336	1.7
71.01248	1.1
71.33327	0.4
71.57759	0.5
72.99191	0.5
75.65639	0.4
76.37465	0.4
83.04903	0.7
85.02823	0.5
88.39642	0.4
99.08028	0.8
109.02837	0.6
109.06503	0.6
121.02829	2.2
134.02556	0.4
146.51147	0.5
157.99765	0.4
163.14941	0.4
165.09129	0.7
177.12735	0.4
189.12743	0.6
194.09436	1.6
195.13834	9.8
195.15559	0.7
196.14197	0.6
205.15912	0.5
207.13828	4.1
207.17464	6.9
208.17871	0.4
209.45471	0.4
215.14511	0.6
221.15500	0.8
223.16978	25.1
224.17401	2.3
233.15428	19.8
234.15755	2.0
251.07211	1.4
251.16524	100.0
252.16852	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	251.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74091	0.6
59.01241	2.3
66.21785	0.6
68.02402	1.0
69.03326	0.7
70.07653	2.0
71.04888	16.3
74.96281	0.6
88.84866	0.5
93.03396	0.6
97.06468	2.7
98.20412	0.8
99.37771	0.6
105.46088	0.6
109.06444	1.0
122.56010	0.7
167.10658	1.4
179.10750	1.4
195.13834	6.1
199.55440	0.6
207.13849	2.7
207.17490	4.6
214.04051	0.7
223.16988	13.2
233.15454	13.0
234.15659	1.1
251.16495	100.0
252.16830	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	251.165
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
57.03324	1.1
59.01253	0.6
60.58426	0.2
69.03327	0.5
70.87279	0.2
70.87621	0.5
71.01257	0.4
79.05396	0.3
80.02574	0.2
81.03337	0.4
83.04888	0.4
93.03339	0.4
93.08212	0.2
95.04884	0.3
97.06485	1.5
98.20552	0.2
104.47424	0.2
106.04014	0.2
107.04916	2.8
109.06485	0.3
111.08020	0.3
112.96159	0.2
121.02861	1.1
123.08047	1.4
125.09609	6.3
127.07508	0.2
139.11198	0.3
151.11183	0.5
152.24141	0.2
165.12759	0.2
177.12852	0.3
189.16379	0.3
193.15881	0.2
195.13890	0.8
205.15984	0.2
207.13719	0.2
207.17465	2.5
209.11752	0.5
209.15506	0.2
223.07622	0.2
223.13464	0.4
223.16980	1.9
233.11867	0.4
233.15448	2.1
234.15837	0.3
245.16997	0.2
251.07104	1.1
251.16519	100.0
252.16849	9.1
272.38068	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	3.8
68.02367	0.9
71.01263	1.2
71.04890	1.2
82.99018	0.8
89.63068	0.9
91.01779	0.9
93.84882	0.8
94.02846	0.8
96.95863	0.9
97.06455	2.9
98.19748	1.8
99.07368	1.1
99.08035	22.1
101.02280	0.9
107.08533	1.0
123.08000	0.8
125.09612	14.4
139.11166	0.8
150.99481	2.0
151.11148	1.1
153.09077	1.5
153.12788	0.9
163.11266	0.9
189.16444	0.9
202.48759	1.0
205.15851	1.7
207.17488	10.3
215.14296	2.5
223.17000	27.5
224.17340	2.2
233.15428	16.8
234.15681	1.4
249.77443	1.0
251.04813	3.2
251.16510	100.0
252.16846	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	251.1289
Annotation	TALAPEROXIDE C
Peak:m/z	Relative Intensity
54.86212	2.1
55.25346	2.5
57.02268	2.0
57.03318	2.9
59.01255	100.0
64.39139	2.2
65.38664	2.0
69.03301	2.3
71.01250	8.6
71.04887	10.3
71.57381	3.4
78.95807	2.7
78.96370	2.3
81.03313	2.4
83.04873	2.2
85.02806	3.3
95.04894	5.3
102.09416	2.0
107.04909	3.4
108.13534	2.3
109.06472	11.1
121.02822	7.8
121.06465	13.5
135.08032	4.7
147.08051	4.1
149.09624	32.9
161.09608	8.3
163.07576	5.3
177.12741	3.4
179.10675	8.9
189.12770	23.3
191.10606	2.7
193.08649	11.8
198.40149	2.3
216.04108	2.4
223.13298	7.7
233.11809	8.5
250.08878	2.9
251.07173	5.1
251.12790	37.9
251.14836	3.8
252.13161	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	251.1037
Annotation	3061-88-9
Peak:m/z	Relative Intensity
69.50074	15.8
69.50507	16.0
73.72398	3.6
74.02342	4.7
84.04395	6.9
84.51105	3.7
89.18382	3.4
101.02272	4.3
109.03953	5.5
125.03526	5.6
127.05035	29.2
128.03415	13.1
134.50418	3.9
145.06119	100.0
174.68405	3.9
196.96582	3.7
203.29469	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	251.0713
Annotation	Dehydroeffusal
Peak:m/z	Relative Intensity
58.91019	0.2
59.01257	0.4
65.03838	0.2
69.40578	1.2
69.41000	0.5
71.01270	0.3
76.59756	0.2
89.03857	0.7
89.97518	0.2
93.03335	3.1
94.03709	0.3
101.02290	0.2
108.02057	0.6
117.03361	1.8
121.02846	100.0
122.03162	3.4
130.04138	0.6
143.04951	0.5
145.02853	1.5
158.03610	0.9
165.07068	0.2
180.05757	0.3
193.06540	0.8
194.07294	0.5
195.08070	1.3
196.05190	0.2
197.06073	0.3
204.05782	0.3
205.06477	0.6
206.07323	0.4
207.08125	0.7
208.05342	0.6
209.11873	0.4
221.06036	4.0
222.06796	2.5
223.07605	6.0
223.13445	0.7
224.07825	0.4
233.06081	1.3
233.11897	0.3
234.06816	1.1
236.04745	0.4
245.58914	0.2
248.04849	0.3
249.05551	7.1
250.06303	5.2
251.07121	62.5
252.07465	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	250.1558
Annotation	Procainamide 4-hydroxylamine
Peak:m/z	Relative Intensity
67.65244	0.3
68.02408	1.0
71.13620	0.5
81.02045	0.4
81.03213	0.6
82.01598	1.2
82.03965	0.3
83.04863	0.3
96.70337	0.3
101.05956	0.3
108.00785	0.6
108.01907	0.5
109.06474	1.1
111.08012	0.3
122.52405	0.3
124.07573	4.1
125.07087	0.9
137.08356	0.6
138.07869	0.9
139.08707	1.7
152.08165	1.8
165.07834	7.3
165.09027	1.1
166.08551	0.3
166.09764	1.7
193.08455	0.4
195.13812	0.5
222.14987	1.1
223.14546	0.3
246.07497	0.3
250.15578	100.0
251.15921	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	251.056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09905	1.0
59.01236	2.7
72.99174	3.9
73.29086	1.2
74.09934	1.1
75.00732	3.7
80.30940	1.3
87.00753	17.9
99.79444	1.2
105.01815	85.9
105.49194	1.1
117.03347	3.5
119.04913	73.7
120.05268	3.4
135.04428	1.9
145.02869	13.7
163.03922	100.0
164.04269	6.4
189.25624	1.2
250.69156	1.3
251.03737	1.5
251.09268	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	249.1858
Annotation	roughanic acid
Peak:m/z	Relative Intensity
51.59661	0.5
57.10443	0.4
59.01234	2.2
66.29828	0.6
68.78403	0.5
70.92148	1.3
84.14025	0.6
85.60340	0.6
140.79041	0.5
205.19508	1.1
231.17499	1.0
244.81610	0.5
249.18565	100.0
250.14545	1.8
250.18890	9.5
261.50656	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1558
Annotation	Procainamide 4-hydroxylamine
Peak:m/z	Relative Intensity
59.01257	0.7
66.00844	2.1
68.02387	0.7
69.62711	0.4
71.01254	0.7
71.56618	0.6
80.51840	0.4
82.01614	0.6
96.51669	0.4
108.00867	0.5
108.01931	0.8
112.62462	0.5
124.07565	5.0
125.07134	1.3
127.66145	0.5
134.84595	0.6
137.08382	2.0
139.08658	0.8
152.08247	2.0
155.24184	0.5
165.07883	5.2
165.09053	2.1
166.09673	0.5
193.08521	2.4
197.07976	2.6
245.87051	0.5
250.15627	100.0
250.61072	0.6
251.15990	8.7
251.20045	0.5
266.12250	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12860	0.8
58.43840	0.8
59.01250	11.0
68.70215	0.9
69.02945	2.1
69.03327	40.5
69.91719	3.7
71.01259	1.6
81.03313	1.2
83.04900	2.6
89.90646	0.9
93.03339	1.1
93.06963	1.1
95.04904	4.6
97.06458	2.7
97.56934	0.9
105.29881	1.0
106.04141	1.4
110.06819	0.9
111.08050	1.1
119.04900	1.1
121.06437	1.1
123.08042	1.0
127.42239	0.8
134.07286	1.3
149.13261	4.1
161.13284	2.2
167.10687	4.7
187.14844	4.6
193.12230	7.5
198.60812	1.1
203.14336	1.9
205.12286	9.5
205.15918	13.0
206.16243	1.0
219.13751	1.1
221.15431	20.5
222.15730	1.4
231.13849	35.1
232.14177	2.1
249.14929	100.0
250.15271	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	249.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.0
59.01256	8.6
59.62759	1.0
59.82680	0.9
69.03328	36.4
70.56866	1.1
70.70156	2.9
71.01226	1.1
83.04900	3.6
93.03323	1.0
95.04901	4.3
97.06499	2.6
98.06750	0.9
111.08022	1.5
116.11862	1.1
121.06458	2.1
123.08058	1.1
134.07288	1.4
149.09642	1.9
149.13245	3.3
153.09209	1.0
167.10664	5.0
171.10207	1.1
175.11165	1.5
179.10625	1.4
187.14885	5.4
193.12238	8.1
194.12662	1.1
203.14334	1.0
205.12302	8.9
205.15915	12.4
221.15413	18.2
222.15778	1.7
231.13858	37.9
232.14177	2.6
249.14938	100.0
250.15283	9.2
266.37320	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.134
Annotation	1-(S)-Methylbutyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01755	7.1
57.03314	5.4
58.00462	2.8
59.01248	51.0
69.03312	2.0
70.06476	2.1
70.06832	4.7
71.01252	72.2
72.01587	1.5
72.99171	5.4
73.02816	31.4
74.85824	0.9
75.00728	2.8
80.96371	0.9
82.02850	3.6
83.01261	18.7
85.02820	43.6
85.06441	2.4
85.99943	2.9
86.03172	1.3
87.00744	4.3
89.02306	5.0
92.68755	1.1
95.01270	5.4
97.02796	2.1
98.19822	1.5
99.00765	13.9
100.03912	1.8
101.02319	100.0
102.02653	2.2
109.79558	1.2
111.00777	2.4
113.02331	33.9
124.21061	1.0
125.02304	1.5
129.01833	3.0
130.94305	1.1
133.04948	2.1
137.02342	1.2
140.49709	1.1
143.03375	3.0
144.52071	1.0
157.08635	1.4
159.02904	6.8
160.52644	1.1
161.04457	20.4
187.07486	1.2
205.15865	1.3
232.74953	1.1
249.02063	1.8
249.07642	2.3
249.13315	27.6
250.08192	1.3
250.10812	2.1
250.14128	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	249.113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17287	0.5
59.01252	0.9
69.03329	0.6
78.58775	0.5
79.95621	1.6
97.06483	1.3
130.94286	0.8
135.04407	1.1
143.04904	0.6
146.03656	1.1
147.04398	1.5
148.05075	0.8
159.04416	35.3
160.04865	2.5
161.02303	0.5
161.05940	1.6
163.03912	3.0
163.07547	1.7
165.95543	0.7
171.04379	2.9
171.08179	0.7
172.05211	0.6
173.06004	6.3
174.03131	1.9
174.06735	0.8
175.03902	1.4
177.05441	1.0
185.09698	0.6
187.03935	31.5
187.07513	6.9
188.04709	100.0
189.05138	8.7
189.09100	4.4
190.06276	3.5
197.06041	2.1
199.07570	11.9
200.07939	0.7
201.05508	0.7
202.06303	1.1
205.05003	3.0
207.96767	0.7
215.07103	1.3
217.08641	45.1
218.08995	3.6
219.10182	0.9
220.07298	4.2
223.84782	0.5
231.84030	0.5
249.03821	0.7
249.05872	6.6
249.11278	27.5
249.15103	1.5
250.06264	0.5
250.11676	2.7
250.14462	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	249.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18838	0.6
56.34941	0.6
59.01252	1.5
78.99725	0.6
79.95605	0.7
98.83545	0.5
109.03969	0.6
114.02177	0.7
115.64167	0.5
127.07571	1.3
136.53407	0.6
141.09119	2.3
155.02332	0.6
155.10646	0.7
167.06931	0.7
179.10674	1.1
181.08417	1.8
181.12268	13.8
182.12648	0.8
199.07391	0.9
199.55107	0.7
201.08879	2.0
203.10484	5.3
205.12122	0.6
205.15857	1.3
217.08354	1.2
220.36688	0.6
221.11566	2.4
223.13094	10.4
225.07413	1.8
233.07892	2.1
235.09485	2.9
237.11023	0.6
247.33751	0.7
249.11061	100.0
249.14731	7.2
250.11386	8.1
250.14520	4.2
265.10526	4.5
267.12131	14.0
268.12457	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25498	1.4
52.05987	1.0
57.71616	1.4
59.01241	2.5
63.45360	1.3
65.03842	1.6
68.59064	1.4
69.03323	2.4
69.51135	11.0
85.02869	1.3
90.51565	1.3
93.03344	4.4
94.38747	1.2
94.75971	1.2
108.02110	1.5
111.13124	1.2
113.05973	1.8
115.05455	3.0
119.04929	3.8
121.02840	1.4
122.17025	1.3
123.08084	1.4
127.07558	3.7
143.04909	2.7
151.11198	1.5
163.11111	1.3
170.60445	1.3
178.06291	1.4
181.12257	20.2
191.10475	1.3
199.07368	1.5
201.08836	2.3
203.10458	8.0
205.08688	1.9
205.12178	4.5
205.15985	2.6
217.08435	2.7
219.09999	2.7
221.11676	6.2
221.15407	4.7
223.13107	57.9
224.13383	3.1
231.13953	2.7
233.07933	7.1
235.09529	11.4
237.11037	18.2
241.14209	2.5
248.08214	2.3
249.09070	12.8
249.11084	62.2
249.14932	22.7
250.09229	2.2
250.11472	4.4
250.14500	21.8
263.09015	1.5
265.10550	15.5
267.12128	100.0
268.12531	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	249.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03841	0.7
68.02081	0.3
70.44870	1.2
71.34489	0.3
93.03342	43.6
93.50144	0.3
94.03694	1.4
95.04942	0.3
103.27192	0.3
115.05434	14.5
116.05732	0.8
117.03348	2.0
119.04926	36.5
120.05206	1.5
121.02855	0.6
123.04390	0.9
129.07083	0.3
130.04169	2.8
131.04953	0.6
143.04938	18.7
144.05260	0.8
155.04968	1.6
156.05785	1.9
156.21851	0.3
158.03651	0.4
169.06587	1.0
180.05840	0.3
184.05275	1.5
193.06644	0.8
205.06610	0.5
205.15804	0.4
206.07283	2.4
207.08102	3.1
208.08466	0.4
210.06763	0.4
219.08113	3.4
220.08821	1.6
221.05951	0.8
221.09694	1.9
223.07632	0.6
230.07445	1.4
231.08096	2.3
232.05342	0.7
232.08859	0.9
233.06029	2.2
234.06863	1.9
247.07628	6.6
248.08401	11.4
249.09195	100.0
250.09534	9.6
250.14651	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
63.97500	0.4
70.15064	1.7
70.55034	0.3
71.01244	0.5
72.99181	9.2
75.00746	7.4
98.19722	0.5
123.93173	0.4
124.12052	0.5
128.03380	0.5
133.04956	100.0
134.05331	3.2
161.50977	0.4
181.46889	0.4
205.15810	0.4
249.09715	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	249.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97863	0.3
57.62259	0.2
62.15458	0.3
62.58118	0.2
70.58764	1.0
72.99181	8.5
75.00748	8.0
95.73370	0.2
109.35342	0.2
133.04961	100.0
134.05298	2.6
150.57448	0.3
249.07507	0.4
249.09676	2.0
249.15005	0.4
250.14507	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
66.31448	0.2
70.85066	0.5
71.01250	0.5
72.99180	10.7
75.00745	8.5
82.02853	0.2
101.02309	0.2
105.01822	1.8
118.97964	0.6
133.04961	100.0
134.05298	2.8
176.05460	0.2
249.09769	3.5
250.10262	0.2
250.14352	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.8
71.01247	1.3
71.37492	0.5
71.37857	0.4
72.99181	12.3
75.00742	9.0
85.02813	0.7
89.42567	0.3
101.02316	0.4
133.04958	100.0
134.05296	3.5
136.61342	0.4
171.84137	0.3
177.02013	0.3
187.07661	0.5
221.49315	0.4
249.09814	3.3
250.14536	1.0
254.14970	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0918
Annotation	CHEMBL2147422
Peak:m/z	Relative Intensity
59.01213	0.5
62.64894	0.4
65.03834	0.9
70.78993	1.3
91.05414	0.5
93.03339	41.3
94.03677	1.3
95.04913	0.9
103.05465	0.4
108.02056	0.8
115.05431	15.6
116.05743	1.0
117.03348	1.5
119.04919	43.9
120.05248	2.4
121.02831	0.6
123.04411	1.4
128.12065	0.5
130.04123	2.3
131.04947	0.8
133.02818	0.5
143.04932	16.4
144.05237	0.5
145.02856	0.6
148.68991	0.4
155.04941	1.7
156.05748	2.2
158.03642	0.7
169.06438	1.0
184.05215	2.4
190.05083	0.4
190.77515	0.4
195.24352	0.4
203.08444	0.5
205.06522	1.5
205.12254	0.6
206.07372	3.5
207.08081	2.9
217.06573	0.5
219.08098	5.1
220.08757	1.7
221.09584	1.9
222.10286	0.5
230.07416	1.9
231.08081	2.6
232.08818	1.2
233.05931	2.0
234.06963	2.2
247.07629	7.3
248.08368	14.4
249.09183	100.0
250.09554	11.5
250.12206	0.6
250.14478	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	246.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27406	1.0
59.01281	1.6
71.57156	1.8
72.99163	1.6
74.02357	1.6
75.00766	1.9
80.96420	1.7
114.09127	9.4
116.04945	1.7
130.08638	49.8
131.09032	1.4
142.08644	5.7
144.10216	38.1
145.10693	1.3
170.08167	4.4
171.10176	1.2
174.22389	1.1
177.38092	1.2
186.07729	1.2
188.09225	100.0
189.09538	5.0
203.50761	1.1
246.09647	2.8
246.10657	1.7
246.13374	25.2
247.04523	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1699
Annotation	5-Hydroxy-8-methoxycalamenene
Peak:m/z	Relative Intensity
59.01254	0.3
60.67415	0.1
67.87995	0.2
70.17919	0.4
70.18307	0.5
71.01225	0.2
151.34882	0.2
199.46346	0.2
205.15932	0.3
220.16945	0.8
231.13823	0.2
240.70885	0.2
247.16997	100.0
248.17336	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	249.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
60.49007	1.1
65.06945	1.1
69.30307	1.2
69.62616	1.0
69.63089	2.3
69.63498	6.2
71.01254	2.6
72.99188	9.4
75.00747	8.2
97.74680	1.0
99.06905	1.2
114.57703	1.1
115.00274	3.3
127.40717	1.2
128.03429	2.4
133.01317	5.6
133.04964	100.0
134.05353	2.0
171.07672	1.4
249.09656	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	245.1392
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
57.03323	1.4
68.50605	1.3
68.73323	1.4
71.01251	1.6
71.04893	2.6
71.56812	2.4
74.02331	3.1
79.18101	1.5
81.03300	1.4
81.53471	1.5
83.04899	5.4
85.02833	2.1
109.01595	2.5
109.51111	1.4
111.08044	2.1
113.09547	2.0
123.08080	3.2
141.09100	5.1
142.44324	1.6
173.57491	1.5
181.12238	10.5
199.13275	3.3
203.08249	3.0
245.13922	100.0
246.14241	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	245.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83527	0.7
57.03316	2.8
58.02848	6.2
59.01254	9.0
62.57090	0.9
69.50020	6.8
70.02853	5.3
71.01258	1.0
71.04871	2.1
72.00778	1.0
72.04421	0.8
73.02836	0.8
74.02346	29.5
83.04881	4.0
84.02016	3.8
85.02824	3.7
96.26122	0.6
98.02364	6.2
109.06529	1.0
111.08056	3.3
113.05977	1.0
113.09580	1.3
115.03900	4.1
116.03432	8.2
116.04948	8.8
119.04942	1.6
123.08050	3.8
130.06514	1.3
130.08624	4.4
141.09123	3.8
141.12741	1.1
142.06497	2.5
144.10161	2.1
151.11214	5.0
153.12759	1.1
159.09167	1.7
163.03905	2.5
163.11183	3.2
169.12296	1.2
179.10709	1.4
181.10774	1.4
181.12274	17.0
188.09203	8.2
201.10252	2.2
203.08194	23.7
204.08582	2.2
227.12868	2.2
241.49171	0.9
243.12363	1.0
245.09509	18.6
245.13905	100.0
246.09656	3.1
246.14250	7.4
267.63461	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1392
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
54.39874	0.4
55.07172	0.5
57.03321	2.8
57.14954	0.5
59.01248	2.2
61.06016	0.5
65.01290	0.5
68.02412	0.9
71.01257	1.2
71.04892	1.8
73.02803	0.9
74.15936	0.5
75.00743	0.9
78.95757	1.6
83.04886	3.1
84.75909	0.5
97.06464	1.7
98.20541	1.5
109.06491	0.5
111.08043	4.2
123.08018	0.5
125.03492	0.5
125.09589	1.3
141.09000	0.5
152.99474	0.9
155.14293	2.3
157.08542	0.6
164.79422	0.5
165.12759	20.5
166.03204	0.5
166.13086	1.2
171.10136	2.1
183.13829	20.3
184.14171	1.2
185.11746	1.5
191.10777	0.6
199.13394	1.2
201.11169	0.7
201.14883	11.8
202.15269	0.9
207.10146	0.7
209.11786	9.8
210.12177	1.1
225.11292	1.8
227.12842	57.7
228.13177	5.5
243.12198	0.5
245.13908	100.0
246.14290	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	245.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37984	1.1
57.03310	1.2
58.00459	2.2
59.01252	36.2
64.52757	1.6
65.03838	9.9
71.57906	2.0
72.99188	4.1
81.03336	5.4
83.04901	100.0
84.05241	2.6
85.02830	66.3
86.03155	1.2
99.08044	6.5
113.09640	1.7
123.43727	1.2
127.03896	5.5
127.11225	1.3
129.09126	3.1
139.11223	3.0
165.12753	2.6
167.10727	4.5
171.10229	3.5
183.13881	2.0
193.37393	1.2
201.12817	1.2
227.12889	3.0
245.04480	1.8
245.11861	2.8
245.13937	45.7
246.14485	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	245.1392
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
52.18869	1.1
57.03328	1.1
59.01254	20.9
65.01326	1.4
65.99712	1.1
69.43089	9.6
71.01248	4.9
71.04893	1.0
73.02810	6.7
78.95773	2.9
79.95604	2.4
83.04897	1.1
84.02052	1.8
85.02785	1.4
85.15252	1.0
97.06458	1.2
98.19764	1.3
125.09586	2.0
127.11160	3.6
132.57268	1.1
134.08887	1.1
139.11200	1.7
141.12712	1.5
152.99478	3.2
153.12723	1.4
155.10675	6.3
157.12268	8.9
163.11165	1.2
165.12784	1.3
167.10683	2.5
169.12244	3.2
171.10172	20.3
185.11728	20.5
197.11789	6.4
199.13336	3.2
201.11301	10.0
203.12825	37.5
204.13203	2.6
209.11830	10.7
215.12799	1.8
224.23183	1.1
227.12860	10.8
228.13216	1.8
245.04344	3.5
245.13916	100.0
246.14302	8.5
251.01886	1.1
251.26282	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.5
59.01250	45.9
71.04887	0.5
71.20592	0.8
71.20936	0.6
78.95766	1.5
83.04888	0.9
114.58179	0.5
119.25582	0.5
127.11204	5.3
134.03496	0.6
139.11194	1.6
152.99509	1.0
153.12827	0.5
155.10728	2.6
157.12250	21.2
158.12553	1.5
171.10184	1.8
185.11748	16.9
186.12129	0.9
201.11246	1.1
203.12825	100.0
204.13155	6.7
209.11696	0.8
212.04695	0.8
213.05540	1.7
227.12880	1.2
245.04297	1.5
245.08148	1.3
245.13947	5.2
246.14618	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58957	0.5
59.01253	100.0
60.01595	0.8
70.21416	0.6
70.81978	1.5
78.95775	0.7
87.00764	0.7
97.06468	1.6
125.09631	1.1
143.97911	3.3
144.98688	8.3
145.98431	0.8
148.63812	0.6
151.11185	4.8
167.10658	0.6
169.12273	7.1
170.12479	0.7
171.10175	2.1
174.99139	0.7
199.13275	3.8
201.09567	0.6
201.11243	4.5
209.11789	2.4
227.12889	1.8
245.04466	0.9
245.07735	3.0
245.13898	23.8
246.14552	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	245.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41021	1.4
57.75399	1.6
58.00457	2.8
58.02850	3.3
58.81925	1.9
59.01254	2.8
61.08694	1.5
69.43047	12.0
69.49673	1.5
70.02852	4.2
70.20380	1.7
74.02347	18.5
78.95767	1.7
83.04890	4.9
84.02014	3.2
86.11181	1.6
86.27812	1.7
98.02348	4.3
116.03419	5.2
116.04944	5.4
119.76683	1.6
125.09597	5.4
127.11214	9.1
139.66901	1.5
142.06551	1.8
155.10684	3.6
159.09143	2.6
163.11143	2.7
165.09076	4.3
165.12766	2.2
171.08043	2.4
171.10164	6.3
191.10712	2.4
199.07619	2.2
199.09590	2.3
201.11264	97.4
202.11580	5.8
202.13509	1.6
203.08255	12.5
204.08386	1.7
209.11781	100.0
210.12108	6.0
227.07007	2.7
227.12897	10.4
245.04420	3.5
245.07875	9.5
245.13861	12.1
255.11310	2.0
266.26376	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	245.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00439	1.2
62.60648	1.0
69.44301	1.9
69.44710	6.6
74.02324	1.6
80.74612	1.2
83.04890	4.7
84.02061	2.4
116.03388	1.3
124.67500	1.1
125.09602	3.2
126.23812	1.2
127.11160	5.0
140.65356	1.1
163.11195	2.8
164.94868	1.0
165.09076	1.9
165.12685	2.4
171.10123	1.6
172.31128	1.0
199.09732	1.1
201.11256	87.5
202.11569	5.9
203.08188	3.1
209.11766	100.0
210.12065	8.9
227.12794	14.8
228.12971	1.3
229.36607	0.9
245.09355	1.8
245.13860	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	245.0928
Annotation	N-Acetyl-D-tryptophan
Peak:m/z	Relative Intensity
55.32010	0.6
57.03322	0.7
58.02845	25.7
59.01240	1.4
68.14273	0.7
70.02854	15.9
70.71873	2.3
71.01248	1.0
72.00780	5.3
72.04420	4.6
74.02343	100.0
75.02684	1.4
78.95766	1.2
83.04865	0.7
83.90871	0.8
85.02792	0.8
86.08119	0.8
98.01701	1.0
98.02351	25.5
116.03431	32.5
116.04938	36.2
117.05258	1.8
119.04838	0.9
122.75995	0.8
125.09611	0.9
125.20531	0.8
127.00246	1.4
127.11120	1.8
129.05550	1.4
130.06502	4.8
134.03487	0.8
142.06529	7.8
156.08160	1.0
159.09219	6.1
160.02362	1.1
171.10165	1.1
183.09142	2.3
186.05557	2.3
192.06047	0.9
201.11559	12.7
203.08194	83.2
204.08530	5.8
209.11783	10.6
227.12875	3.1
245.04890	1.6
245.09288	66.0
245.13840	3.3
246.09613	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	245.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52890	0.8
59.01249	41.0
61.20954	0.9
70.45654	1.1
77.01382	0.9
78.95780	1.0
79.95632	1.3
80.54732	0.8
82.94570	0.8
98.19715	1.4
116.04980	0.9
129.09161	2.0
141.12781	1.0
150.57109	0.8
165.12737	4.2
167.10738	1.2
181.18825	0.8
183.13843	32.7
184.14156	2.1
184.22005	1.1
185.11757	100.0
186.12148	5.7
199.13330	2.2
209.11742	1.4
227.12877	11.6
228.13103	1.3
245.02713	1.2
245.13919	67.2
246.14252	5.1
246.99944	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0639
Annotation	bis-(4-hydroxybenzyl)sulfide
Peak:m/z	Relative Intensity
54.12801	0.6
57.46300	0.6
59.01259	1.3
69.41472	1.8
69.41898	4.0
74.18111	0.5
89.54117	0.6
93.03344	0.9
97.88625	0.6
106.04127	1.0
108.02033	0.7
114.38271	0.7
123.09053	0.6
131.78683	0.6
135.76021	0.7
139.02133	100.0
140.02466	4.1
159.93869	0.6
183.01480	0.7
211.70563	0.6
215.12869	2.2
218.23579	0.6
227.12862	4.3
244.90842	1.8
245.11678	1.1
245.13837	4.0
246.14917	0.9
250.04561	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1964
Annotation	2-Hydroxymyristic Acid
Peak:m/z	Relative Intensity
59.01240	0.7
66.03384	0.4
70.69233	0.7
70.69539	0.6
81.34239	0.3
82.02868	0.6
94.06504	1.1
110.02364	1.5
110.34684	0.4
111.01805	0.4
128.14725	0.4
183.17458	2.1
197.19040	1.4
225.11201	0.7
225.18529	2.0
225.41283	0.4
241.18047	1.0
243.02831	0.5
243.06631	0.7
243.12393	1.6
243.19629	100.0
244.19954	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	245.0428
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
59.01248	6.8
69.83858	1.2
71.01262	2.9
71.56421	2.2
78.95775	100.0
80.63945	1.4
87.87745	1.3
89.02303	4.3
96.96847	8.7
101.02321	9.0
105.01778	2.1
107.68389	1.5
119.03355	7.0
131.01933	1.6
138.53326	1.3
152.99483	75.5
156.99899	3.7
171.00552	31.1
209.06641	2.6
223.53574	1.5
245.04279	70.9
246.04529	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	243.1961
Annotation	13-Hydroxymyristic acid
Peak:m/z	Relative Intensity
59.01249	100.0
60.01588	1.7
60.99180	0.6
67.78891	0.5
68.70423	0.5
70.58986	0.8
70.59315	1.0
82.02855	0.7
103.04666	0.5
105.03989	0.6
106.85403	0.5
107.84772	0.5
109.06435	0.6
110.02354	2.3
137.09082	0.6
153.03036	0.6
225.11169	0.8
243.06474	1.3
243.12495	1.3
243.19623	38.5
244.19933	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	243.1961
Annotation	2-Hydroxymyristic Acid
Peak:m/z	Relative Intensity
53.68460	0.5
55.01741	0.6
59.01245	1.0
62.27610	0.5
66.03359	0.8
70.86856	1.0
70.87191	0.9
82.02867	0.7
84.02053	0.5
93.67310	0.5
101.96220	0.5
106.39732	0.5
110.02393	2.8
125.09657	0.5
136.29665	0.6
162.83856	0.9
169.15881	1.2
181.15988	0.6
193.16063	0.6
195.17542	4.7
197.19044	83.7
198.19373	7.6
200.05624	0.6
225.11249	1.0
225.18607	2.1
241.17972	0.6
243.06342	0.7
243.12479	1.6
243.19629	100.0
244.19969	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	243.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.7
55.79685	0.5
57.03323	0.9
59.01225	0.8
68.02385	0.8
70.97799	1.5
71.04897	4.7
79.45539	0.6
82.02842	0.5
83.04900	1.0
97.02831	6.6
97.06476	2.4
99.00751	26.1
100.01074	1.3
108.14686	0.6
109.06460	1.4
110.03606	2.6
123.08041	1.2
125.09608	7.2
127.11180	1.5
135.08008	1.3
136.05194	1.1
142.02634	2.9
153.12755	1.2
155.14285	1.7
161.09697	0.9
163.11191	10.1
164.11510	0.8
179.10666	0.9
181.12254	27.6
182.12639	1.6
197.11736	1.7
199.13327	22.9
199.14821	0.4
200.13719	1.6
207.10204	50.8
208.10567	3.8
225.11266	100.0
226.11594	7.6
243.12338	93.9
243.14983	1.3
244.12672	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	243.1235
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
54.67813	1.0
58.93418	1.0
59.01228	1.3
59.78642	0.9
69.49590	9.5
71.01253	1.3
71.04890	3.1
72.99185	3.5
74.34132	0.9
74.94425	1.0
79.09496	1.4
83.04897	1.4
86.15588	1.1
89.91508	1.2
97.02804	1.9
98.20586	1.9
99.00755	10.0
125.09624	3.0
148.80135	1.2
153.12775	2.0
163.11197	4.1
171.10185	12.9
178.40074	1.2
181.10757	2.0
181.12270	21.3
197.11818	5.7
199.13338	23.9
199.22044	1.2
200.13748	1.3
207.10205	20.6
208.10635	1.5
211.13426	1.0
225.11282	43.9
226.11632	2.7
243.12354	100.0
244.12662	6.3
255.94572	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	243.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05916	1.4
59.01253	1.8
61.10403	1.5
61.87453	1.3
70.46722	1.3
71.37543	2.5
89.84895	1.4
109.27734	1.3
110.02375	3.0
131.86191	1.5
135.04419	7.2
159.30362	1.5
183.13850	9.3
193.12242	2.9
196.11819	1.6
200.05663	1.8
202.12410	1.4
204.55785	1.5
207.10193	1.7
211.13350	100.0
212.13655	8.7
225.11264	2.1
243.06442	1.9
243.12378	2.4
243.15886	2.0
244.14519	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	243.1599
Annotation	1,11-Undecanedicarboxylic acid
Peak:m/z	Relative Intensity
53.09671	0.3
57.03320	0.6
58.47698	0.3
69.83585	0.7
69.83994	1.8
69.97372	0.3
77.01091	0.3
79.63325	0.3
81.32494	0.3
110.02373	0.5
111.00661	0.4
179.14365	0.8
181.15900	37.6
182.16252	3.4
199.16943	1.1
201.08844	0.3
207.10143	0.7
225.11279	2.2
225.14906	47.1
226.15242	4.2
243.15976	100.0
244.16313	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	243.1236
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
53.51264	0.7
53.83493	0.7
57.03329	1.0
59.01225	1.2
71.01247	1.7
71.04881	2.8
78.14036	0.7
79.70387	0.8
83.04927	1.0
93.03352	1.3
96.46722	0.7
97.02802	4.0
97.06441	1.1
99.00749	14.6
109.06450	0.8
115.71441	0.7
125.09629	7.1
127.11154	4.8
134.15826	0.7
135.08055	0.9
142.02565	1.8
153.12770	1.6
155.14310	1.7
163.11195	7.2
171.10152	1.9
181.12254	22.5
182.12500	1.3
186.06813	0.9
187.07355	0.8
197.11700	2.8
199.13327	57.4
200.13670	4.1
207.10197	37.2
207.12175	1.7
208.10597	2.3
213.05621	1.0
214.06258	4.3
225.11267	77.6
226.11649	6.6
229.36546	1.1
243.10318	4.7
243.12340	100.0
244.12700	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88943	3.1
54.79905	3.0
57.03320	14.7
59.01253	30.7
67.72057	3.2
69.03327	5.1
69.93554	16.7
71.01252	8.1
71.04895	12.7
81.03317	5.5
83.04890	11.9
84.99749	3.6
85.02832	12.4
95.04932	4.3
97.06490	11.4
98.20480	4.4
99.00769	9.4
101.05972	14.2
110.02396	5.8
111.04398	5.2
111.08068	4.6
113.09632	4.5
123.08029	13.2
125.09605	8.4
129.05470	27.7
136.01512	4.4
139.07538	4.6
141.05440	19.2
151.11217	12.7
157.08630	15.2
159.32294	3.3
163.11203	8.1
170.67796	3.5
181.12302	23.1
185.11742	5.7
197.11685	4.5
199.13380	23.7
207.10170	25.2
225.11295	74.8
226.11636	5.1
243.06783	7.4
243.10214	5.8
243.12344	100.0
243.16083	8.5
244.12703	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	243.1236
Annotation	9-Hydroxyhexylitaconic acid
Peak:m/z	Relative Intensity
52.30827	0.5
53.94185	0.5
57.03311	2.1
58.00457	0.5
59.01241	0.6
69.03358	0.5
70.97628	1.0
70.98004	1.0
77.62337	0.4
77.82356	0.4
97.56799	0.7
110.02354	0.9
113.64385	0.5
139.11151	2.4
141.12714	1.2
153.12750	0.8
155.14322	2.1
169.12242	2.1
181.12221	2.5
185.11722	0.7
199.13330	100.0
200.13652	7.7
215.12822	2.2
216.97446	0.7
220.31082	0.5
225.11246	1.9
243.12372	13.8
243.16026	2.2
243.98654	0.6
244.12772	1.0
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
52.19794	1.8
59.01235	1.9
71.04896	4.4
71.17916	5.9
95.40868	1.7
97.02850	6.6
99.00747	22.2
125.09617	6.9
142.02588	2.6
163.11208	12.3
171.10194	3.0
181.12283	32.7
197.11687	2.6
199.13353	27.2
207.10226	61.9
208.10648	4.1
225.11279	100.0
226.11624	8.7
243.12350	86.1
244.12636	5.7
252.22870	1.9
255.79420	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	243.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.3
61.28425	0.2
65.01321	0.3
69.95559	1.3
71.37696	0.2
82.02850	0.3
83.23904	0.2
90.86898	0.2
93.03320	1.3
95.04896	0.3
96.66469	0.2
101.13364	0.3
106.04086	0.2
110.02351	0.7
117.03334	0.4
122.03661	0.3
123.04393	1.0
133.04019	0.3
143.97871	5.1
148.01546	0.3
169.06512	0.6
182.07346	0.4
183.08061	0.9
196.05232	0.3
205.08621	0.3
209.06013	1.6
210.06815	18.8
211.07579	100.0
212.07922	9.8
212.09991	0.3
225.11307	0.5
243.06244	2.6
243.10199	0.6
243.12317	0.6
243.15987	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0619
Annotation	Uridine
Peak:m/z	Relative Intensity
54.51590	0.5
55.01779	0.5
59.01254	1.4
66.03355	10.7
68.01294	3.1
69.72385	2.9
71.01234	1.9
82.02356	1.2
82.02849	23.8
83.01234	0.7
83.03213	0.7
84.04424	1.0
86.82551	0.7
94.02853	2.3
95.01314	0.8
96.04413	1.0
98.20583	1.2
107.33018	0.6
108.04444	3.4
110.02357	100.0
111.01889	6.6
111.02718	3.2
117.01840	1.7
122.02358	8.0
124.03933	2.8
132.02916	1.2
138.01834	1.1
139.01347	1.1
140.03435	11.7
152.03444	20.3
153.02924	10.6
154.03250	0.8
182.04530	1.6
200.05568	47.7
201.05891	2.8
226.79196	0.7
231.90140	0.7
243.06186	30.7
243.09804	1.1
244.06424	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	242.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06490	22.9
59.01257	26.6
59.55264	17.6
61.50454	19.6
61.98706	78.5
64.79248	17.3
65.67397	18.3
65.99725	37.0
68.01292	35.9
71.01248	50.6
71.11486	48.1
77.83622	19.9
78.95766	100.0
87.00768	57.1
96.00800	47.4
98.02396	28.5
99.00754	34.1
110.02353	23.1
111.00754	47.2
127.00233	23.2
127.05089	20.6
139.00272	27.8
142.99783	22.1
145.06067	53.1
153.01785	26.2
232.98010	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	243.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79412	2.1
58.02816	2.3
58.19694	1.8
59.01245	2.7
66.03365	16.3
70.02865	2.2
71.01247	2.4
71.56910	2.3
78.91312	1.8
78.95762	5.4
82.02859	22.5
94.02863	3.6
96.00793	8.2
96.04425	3.2
101.69652	2.1
108.04395	3.5
110.02364	100.0
111.01917	4.9
111.02702	2.9
113.03462	8.3
117.01820	1.9
119.04888	2.6
122.02367	10.2
124.03929	4.0
128.03432	6.6
132.02895	3.0
133.89369	2.1
140.03426	11.5
152.03426	16.6
153.02940	10.2
159.54768	2.0
175.63383	2.0
182.04633	2.2
198.97084	3.4
200.05577	35.5
243.06232	20.9
244.12964	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	243.0619
Annotation	Uridine
Peak:m/z	Relative Intensity
56.60387	1.2
59.01234	1.4
66.03360	14.8
67.02906	1.0
68.01279	3.3
69.61738	9.1
70.02858	1.5
71.01248	4.5
78.95778	10.7
80.96390	1.4
82.02860	30.7
83.01224	1.3
84.04407	1.9
87.00764	1.5
94.02879	3.8
96.00775	6.3
96.04438	2.5
96.96854	1.9
98.02332	1.5
98.19868	1.8
108.04435	2.5
110.02362	100.0
111.01894	6.1
111.02672	2.6
113.03497	7.2
117.01824	1.5
120.04420	1.1
120.45644	1.3
122.02384	9.0
124.03895	3.9
128.03430	5.5
132.02913	2.0
140.03441	11.0
152.03441	18.6
153.02919	10.2
153.03993	1.3
198.96877	2.7
200.05573	40.0
243.02010	2.5
243.06227	22.6
243.10051	1.5
243.12462	1.7
264.46252	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	241.1442
Annotation	Annuionone F
Peak:m/z	Relative Intensity
57.03314	1.6
59.01233	1.3
67.04559	0.6
69.24809	1.0
69.25214	4.6
71.01256	0.6
71.82742	0.5
72.99159	0.6
79.61990	0.6
81.89539	0.5
82.53677	0.5
83.04894	8.4
87.00744	2.5
88.13272	0.5
98.19733	1.0
123.08028	0.7
124.15874	0.6
139.11165	1.5
159.05687	0.6
159.09903	0.5
177.12773	1.5
195.13838	6.8
204.31825	0.6
215.05722	0.6
223.09741	0.6
223.13278	1.1
239.12834	0.6
241.14426	100.0
241.21579	1.5
242.14763	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	241.1807
Annotation	SCHEMBL1717294
Peak:m/z	Relative Intensity
59.01246	2.2
66.80381	0.8
69.53438	2.9
69.53863	3.6
79.95596	0.9
83.04913	0.9
85.78987	0.8
98.20580	1.4
98.42124	0.7
162.17801	0.9
162.83833	1.0
175.60815	0.7
184.00102	6.7
184.50206	1.5
197.05833	0.9
197.11777	1.4
197.15372	2.6
198.70683	0.9
211.16994	21.2
212.17203	2.1
223.13394	1.0
223.16988	12.0
226.06284	1.3
241.05019	1.3
241.07048	6.0
241.14250	3.4
241.18051	100.0
241.21558	9.2
241.57324	1.5
242.18385	8.2
242.22018	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.108
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
57.03328	5.8
59.01253	100.0
60.99183	1.1
67.05405	1.1
69.03336	2.0
69.61459	2.0
69.61873	6.5
71.04886	2.1
72.99191	2.0
78.95785	5.0
79.05433	1.2
79.40125	0.9
81.03342	1.1
83.04897	3.3
87.00749	3.3
93.03351	3.7
93.09814	1.0
99.04412	4.2
119.08562	3.8
130.03960	1.3
134.03627	7.7
135.04419	11.3
135.08070	1.9
137.09622	6.4
151.11284	1.3
160.05029	1.1
166.70416	1.0
169.12271	14.8
171.06644	1.6
177.72043	1.2
179.10727	4.7
181.08652	21.1
195.10240	6.2
197.06009	2.1
197.11771	33.0
197.15419	1.1
198.12094	2.1
210.06775	5.3
211.07539	2.4
214.07248	1.4
222.06726	5.6
223.07683	11.3
223.09689	2.2
223.13367	6.6
224.07878	1.4
226.06302	8.2
235.74527	1.1
241.01224	1.9
241.05112	2.3
241.08615	7.5
241.10800	23.0
241.14388	18.6
241.18056	3.0
241.21761	5.9
242.11130	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	241.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02856	1.6
59.01251	8.3
68.69263	1.6
69.43526	8.2
69.43951	4.0
70.02853	5.3
71.01258	1.6
78.95802	3.2
79.78907	1.2
82.02863	28.3
82.06535	3.0
84.04428	3.9
101.66974	1.3
110.02389	2.1
111.03183	3.1
112.03944	6.1
112.20428	1.6
114.09111	1.9
126.09134	2.6
127.05051	4.7
130.08621	12.3
139.33498	1.2
141.10233	18.0
141.65129	1.4
151.03722	1.5
168.08995	1.9
169.09755	1.9
169.13397	2.3
195.11380	1.6
197.12895	86.3
198.06696	3.7
198.13268	3.2
241.01299	1.6
241.07335	9.4
241.11946	100.0
241.13928	3.7
241.18100	3.5
241.21793	5.0
242.12286	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	241.1078
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
59.01240	3.1
65.48187	0.7
65.99700	0.6
71.01254	1.9
71.04919	0.7
71.21156	1.3
72.38112	0.6
72.99187	0.6
73.02808	3.0
74.41322	0.7
75.00751	1.0
76.28040	0.6
76.60806	0.8
79.95599	0.8
83.01229	0.7
83.02412	0.9
83.04897	1.3
83.05523	0.6
83.28618	0.7
84.02000	0.7
85.02831	0.9
87.00757	2.9
93.03318	0.7
97.06431	1.0
110.11957	0.6
121.06492	0.9
123.08086	0.8
125.09619	1.6
134.03609	1.0
135.57123	0.6
137.09645	3.5
138.09923	1.3
139.10236	1.5
149.09639	0.6
151.11194	2.9
153.09129	2.1
155.10698	1.8
157.05145	0.7
161.09641	1.5
165.09099	3.2
167.10509	0.7
169.12253	100.0
170.12605	6.6
171.10097	0.9
177.09171	0.7
179.10683	3.9
181.08647	1.8
183.10159	1.4
195.10208	2.6
197.11765	19.0
198.12076	1.6
205.08511	0.7
211.07683	0.7
213.11266	1.2
213.14783	3.3
214.07507	0.8
222.06915	0.9
223.07532	3.8
223.09717	6.0
223.13257	1.5
226.06355	1.2
241.08597	4.3
241.10788	39.2
241.14511	8.0
241.18018	1.6
241.21796	1.5
242.11053	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	241.1078
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
57.03330	1.2
57.92274	0.6
58.69501	0.6
69.03328	3.2
71.01253	1.3
71.04895	3.5
74.08061	0.5
76.61882	0.6
83.04887	0.8
83.85629	0.7
85.01202	0.6
86.00324	0.5
97.06466	0.9
121.06522	0.7
125.09600	2.1
137.09595	1.1
151.11140	1.6
153.12766	3.3
161.09709	1.4
179.10683	7.2
180.11087	0.7
197.11757	100.0
198.12134	5.5
223.09674	3.3
229.23491	0.6
241.10774	70.1
242.11119	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	241.1077
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
54.22952	0.8
57.03326	1.6
59.01241	2.5
65.01308	1.0
69.03339	2.1
71.04895	3.4
71.58010	1.2
72.00758	1.2
79.95632	1.4
82.02850	5.1
84.04409	14.6
85.02353	1.1
85.02827	5.8
96.00005	0.9
96.60500	1.0
116.03424	3.2
125.09615	2.8
128.03407	4.2
128.10735	1.2
141.10194	1.8
142.12267	2.3
149.35225	1.1
153.12785	3.4
154.12263	2.2
166.10660	1.1
167.11835	9.3
168.10173	2.0
169.13383	7.2
170.11798	1.6
170.18231	1.0
177.09023	1.3
179.10735	6.5
195.11302	5.8
197.11562	100.0
197.13213	11.2
198.11156	19.9
223.09659	7.6
241.05322	4.6
241.10609	49.1
241.21584	1.7
242.11208	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0869
Annotation	3-Hydroxy-4,5-methylenedioxybibenzyl
Peak:m/z	Relative Intensity
59.01242	2.5
65.03501	1.0
65.03831	1.0
69.84612	5.1
71.04908	1.8
78.95778	1.7
83.04903	1.4
87.00751	1.1
93.03337	19.4
98.20520	1.7
104.54266	0.9
104.97189	0.8
109.06477	1.0
117.03349	6.2
119.04919	1.5
121.02878	1.3
125.09610	1.0
126.68371	0.8
130.04131	3.7
134.03633	10.3
142.02644	1.1
151.11238	1.3
161.09587	0.9
169.06488	1.2
169.12270	7.2
179.10701	3.1
180.05717	3.3
181.06546	2.0
193.06595	5.2
194.07268	5.8
195.08124	10.3
195.10121	2.5
197.06056	1.0
197.11710	5.0
208.05247	3.4
210.06854	1.5
211.07433	1.0
213.14857	1.2
221.06018	4.2
222.06821	21.8
223.07605	100.0
224.07936	9.2
226.06299	3.4
241.01331	1.9
241.08682	86.7
241.10820	10.5
241.14163	3.6
241.18062	2.8
241.21692	5.9
242.08932	8.7
242.11121	1.1
254.05801	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.09
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16668	0.2
69.54254	1.6
75.67607	0.2
79.95564	1.3
104.87733	0.2
177.12694	0.2
183.01158	1.6
184.01756	0.5
197.02710	32.8
197.11784	0.3
198.03468	11.2
199.03850	0.6
226.06602	0.2
230.02499	9.2
231.02740	0.5
241.09001	100.0
241.21690	0.7
242.09315	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	241.09
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.2
59.01250	1.6
63.44935	0.2
65.01322	0.2
66.01885	0.2
71.04898	0.4
79.95581	2.1
83.02370	0.4
106.04002	0.3
108.02055	0.6
127.45901	0.3
130.04004	0.2
133.24971	0.2
165.09064	0.2
171.06721	0.3
177.12851	0.3
181.15813	0.3
183.01181	1.9
184.01900	1.3
197.02708	38.0
197.11638	0.4
197.15401	0.8
198.03391	5.3
199.03870	0.3
211.04239	1.8
212.05084	1.7
216.01013	1.4
223.13354	0.5
225.14883	0.6
226.06552	0.3
230.02528	4.7
231.02763	0.5
241.09001	100.0
241.21617	1.8
241.54539	0.4
242.09326	9.0
242.14938	0.4
242.17583	1.8
243.16118	0.3
244.04082	2.2
245.04237	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0504
Annotation	2,4,5,6-Tetrahydroxyphenanthrene
Peak:m/z	Relative Intensity
56.63541	0.4
59.01236	1.1
59.32060	0.3
60.99164	1.6
68.93291	0.4
70.05660	2.0
78.95769	1.0
83.02363	0.4
86.95530	0.4
87.00770	0.8
93.03332	1.5
97.06499	0.3
110.13590	0.4
134.03560	0.7
135.04440	0.6
138.84344	0.4
157.46800	0.5
167.04918	0.7
185.05978	0.9
195.04445	9.7
195.08076	0.6
197.02432	0.8
197.06036	0.6
197.11729	1.0
213.05518	3.1
219.88107	0.3
222.06818	1.2
223.03958	27.0
223.07350	4.4
223.13307	2.0
224.04260	2.1
224.07837	0.5
226.06288	0.8
233.64104	0.4
239.03465	2.4
241.05026	100.0
241.08504	4.8
241.14400	1.3
241.17902	0.8
241.21713	1.6
242.05345	8.5
264.06866	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	3.5
59.01248	45.4
65.83274	1.1
69.03304	2.0
71.01247	2.8
71.57722	1.4
83.04896	1.5
85.02822	2.3
87.00754	5.9
99.00749	1.6
101.02344	1.8
109.06432	1.5
117.01782	1.8
123.00816	1.4
123.08032	4.4
139.07724	1.3
143.53065	1.3
161.04433	5.9
171.10120	1.6
179.05536	36.5
180.06104	1.5
183.13802	14.7
184.14180	2.3
195.13800	7.7
209.15405	25.6
210.15788	2.0
211.13321	2.5
211.17050	2.6
221.11935	2.8
221.15421	100.0
222.15732	8.3
223.02797	8.5
239.12979	10.8
239.16487	93.8
239.18997	2.4
239.20134	2.3
240.16803	9.9
255.89568	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	239.2014
Annotation	cis-10-Pentadecenoic acid
Peak:m/z	Relative Intensity
59.01253	6.6
70.40706	0.5
71.13555	1.1
71.13895	0.5
221.19009	1.2
239.20129	100.0
240.20470	10.1
244.04507	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2014
Annotation	cis-10-Pentadecenoic acid
Peak:m/z	Relative Intensity
59.01257	4.6
69.12067	0.5
70.15563	2.4
85.19536	0.4
89.72971	0.4
91.11588	0.5
117.53220	0.5
168.33896	0.5
174.99620	0.5
221.19215	0.7
234.80849	0.5
239.20123	100.0
240.20500	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	239.165
Annotation	Putaminoxin D
Peak:m/z	Relative Intensity
57.03316	3.2
59.01253	39.6
69.03357	1.5
69.34709	2.0
69.35115	8.7
70.97401	1.1
71.01235	1.6
83.04899	1.4
85.02811	2.7
86.38657	1.1
87.00757	5.7
91.02103	1.3
95.01235	1.0
105.92341	1.1
109.06503	1.7
117.01809	1.8
123.08044	2.9
125.02311	1.7
125.09654	1.7
151.11171	1.4
161.04509	5.5
177.16458	2.6
179.05527	24.6
180.05789	1.1
181.80232	1.1
183.13815	18.1
184.14120	1.9
189.90428	1.2
195.13832	9.2
197.92705	1.3
203.14290	1.2
209.15396	22.1
210.15863	1.9
211.13396	2.5
221.11871	3.3
221.15419	87.3
222.15782	9.2
223.02782	10.2
224.86456	1.0
238.98680	1.6
239.12929	12.3
239.16479	100.0
240.16824	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	239.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.4
59.01250	3.9
62.66158	0.4
64.59014	0.4
71.01254	1.5
71.04438	1.2
72.99194	0.8
87.00763	0.7
95.08531	0.6
109.33669	0.4
121.06480	5.5
123.08037	0.9
137.09618	85.7
138.09952	5.4
149.01677	0.4
149.09644	1.8
151.11212	1.2
158.38272	0.4
167.14365	1.0
175.11217	0.5
179.05577	2.7
190.99129	0.4
191.18471	0.4
193.12231	0.5
195.13857	0.8
212.62001	0.4
221.11789	1.0
225.05518	0.5
238.47021	0.4
239.12849	100.0
240.13194	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	239.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.7
59.01252	34.6
60.01579	1.1
67.53796	1.1
70.69712	2.4
71.01221	1.8
72.36131	0.9
85.02809	2.5
87.00747	5.2
97.02834	1.4
99.00801	1.2
117.01884	1.4
123.08074	1.6
151.11118	1.7
160.71358	1.2
161.04463	6.3
179.04088	2.0
179.05540	27.7
183.13831	36.1
184.14124	3.1
195.13829	4.5
197.11809	1.3
209.15425	10.7
211.17001	1.0
221.15425	40.8
222.15710	4.7
223.02872	6.2
223.04642	1.1
224.02798	1.8
238.98584	1.4
239.13069	5.0
239.16486	100.0
240.16899	11.1
256.76624	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1286
Annotation	(+)-7alpha,8alpha-Epoxyblumenol B
Peak:m/z	Relative Intensity
51.38215	0.2
57.03322	0.8
59.01245	0.5
59.51255	0.3
70.40351	0.9
71.01262	1.1
72.99185	1.1
76.99313	0.3
81.03333	0.3
83.54626	0.2
87.00758	0.5
95.08543	0.6
121.06481	7.1
123.08083	0.3
137.09616	100.0
138.09950	5.6
149.09618	2.2
151.11241	1.2
165.12764	0.3
167.14282	1.2
175.11238	0.5
177.12782	0.3
179.05476	0.7
183.90085	0.2
193.12285	0.6
196.75632	0.3
219.10255	0.5
221.11823	0.7
234.44608	0.2
239.12845	92.7
240.13184	7.8
244.35616	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1286
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
54.94881	0.8
57.03315	1.7
59.01245	4.3
69.03328	42.9
70.03661	1.2
71.45915	1.3
81.03334	1.4
83.04896	7.6
85.02832	5.4
95.04904	1.3
97.02884	0.8
97.06453	1.4
101.62707	0.7
137.09589	2.9
141.03168	0.9
149.09624	0.9
163.11267	1.0
164.73318	0.9
165.12743	0.8
171.10107	0.9
173.09651	1.3
175.11218	5.5
177.12747	1.6
179.05507	1.9
193.12288	9.1
195.13869	7.4
211.13388	1.4
221.11833	5.6
223.02757	4.6
239.07408	6.4
239.12866	100.0
240.07420	0.8
240.13177	7.3
259.50909	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1285
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
56.66320	0.5
58.62187	0.4
59.01246	2.2
59.60024	0.5
69.50581	0.5
70.86877	1.0
74.15073	0.4
81.06915	0.5
87.21111	0.5
95.04903	1.1
101.05963	8.1
109.06471	5.5
111.08044	5.1
125.09612	0.7
135.11656	0.6
138.06715	0.6
139.03912	12.4
151.11186	0.6
154.06265	33.2
155.06535	1.9
161.04411	0.5
167.14316	10.4
168.14682	0.7
179.05548	1.9
179.10680	4.2
182.05754	4.4
183.06213	0.4
195.13835	100.0
196.14151	7.4
239.12833	6.2
239.16522	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	239.0922
Annotation	CMPF
Peak:m/z	Relative Intensity
50.29365	0.5
55.30481	0.5
57.03328	1.5
59.01249	100.0
60.01588	1.2
66.70792	0.5
71.01283	0.4
71.11288	1.4
79.09803	0.5
79.24712	0.5
81.03332	2.0
83.04903	1.0
85.02829	1.1
87.00797	0.6
88.09329	0.5
95.04892	2.1
97.02826	0.5
97.06463	3.4
99.00772	0.5
109.06477	2.8
123.04438	0.5
123.08025	1.1
133.06479	0.6
133.10127	0.5
135.08057	3.1
141.05466	10.0
151.11183	2.8
161.04430	0.7
169.06308	0.5
177.09113	3.5
178.09572	0.6
179.05531	4.7
179.07051	1.3
195.10194	27.6
195.13834	1.5
196.10490	2.4
221.08208	0.9
230.39140	0.5
239.09210	20.0
239.12778	1.0
240.09602	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	239.1285
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
53.29275	0.4
56.26601	0.4
57.03300	0.6
58.59492	0.4
59.01249	4.3
62.55717	0.4
62.81189	0.5
66.39851	0.4
70.10670	1.9
72.36485	0.3
87.00760	0.5
98.19722	0.4
101.36950	0.4
106.04130	0.4
127.01715	0.4
160.01921	0.4
161.04402	0.4
177.12778	2.6
178.13103	0.6
179.05563	1.8
195.13834	100.0
196.14191	8.5
203.10748	0.8
221.11790	0.5
239.12834	9.8
239.16504	0.9
240.13226	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.9
59.01242	4.0
71.58301	0.7
75.00742	1.9
83.04910	1.2
85.02821	1.6
87.00736	0.6
91.02106	0.4
93.03332	4.1
95.32499	0.5
97.02847	0.5
99.00764	0.5
117.03352	0.5
118.06459	0.4
119.04887	0.5
119.60899	0.4
121.02895	0.7
123.04359	0.5
132.02074	0.8
133.02853	4.8
145.02872	1.1
169.06424	0.6
179.05519	1.9
182.07327	0.5
184.05280	0.5
185.05992	0.7
193.06422	0.5
195.04387	0.6
195.08089	0.6
195.13750	0.6
197.06029	5.2
197.66087	0.4
207.02866	0.5
209.05997	1.9
210.06778	4.6
211.07582	3.8
221.06047	1.6
221.11821	1.9
223.02786	3.2
235.34319	0.4
237.05528	1.4
238.06281	2.9
239.07106	100.0
240.07399	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	239.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78001	0.5
57.03299	1.2
59.01249	23.4
71.01231	0.7
71.04913	0.8
71.05756	1.3
72.99180	68.1
73.99525	0.9
75.00739	9.8
79.95618	0.6
87.00757	1.4
93.03328	0.7
96.95914	3.1
97.02860	0.6
97.06458	0.8
98.19905	0.6
99.00749	0.7
104.50315	0.5
107.04926	1.0
113.02216	0.7
113.51640	0.6
119.04913	3.6
121.02861	0.7
123.08003	0.7
133.04959	100.0
134.03601	1.8
134.05312	3.2
135.04411	7.2
135.08138	0.6
141.05466	1.6
151.71992	0.6
158.44325	0.6
159.10179	2.0
161.04482	1.4
163.03922	5.0
165.96687	0.6
177.09117	0.9
179.05576	6.2
181.04962	0.6
195.10196	5.6
195.13782	1.4
239.06030	2.5
239.09180	9.0
239.12785	1.3
240.09552	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94412	0.2
57.03308	0.4
59.01250	5.4
59.96590	0.5
60.72224	0.2
65.56389	0.2
66.66570	0.2
66.66918	0.2
70.58215	0.3
70.58614	0.4
71.01249	0.3
71.18388	0.2
74.98943	9.1
75.96083	0.6
75.98914	0.3
85.02797	0.3
86.77485	0.2
87.00752	0.9
91.02090	10.8
93.00013	7.7
117.01847	0.4
123.08051	0.4
137.09680	0.2
149.00859	5.3
150.00827	0.4
150.98804	0.2
161.04456	0.6
179.05530	4.6
195.13824	0.9
203.68291	0.2
206.99655	2.8
212.45190	0.2
220.37906	0.2
223.02788	100.0
224.02837	10.8
239.05748	0.6
239.12846	0.8
241.03833	3.5
241.06110	0.3
242.03894	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	3.0
71.17627	1.0
87.00764	0.4
87.72158	0.4
93.03334	17.7
94.03670	0.7
94.18758	0.4
97.02859	0.6
109.02815	0.6
116.89675	0.4
117.03369	1.4
119.04893	0.7
121.02874	1.1
123.04421	0.5
132.05714	1.6
133.02786	0.6
133.06493	9.9
134.06779	0.5
145.02852	5.1
146.03159	0.8
164.04674	1.4
169.06509	1.1
171.10143	0.5
177.12796	1.0
179.05563	1.4
180.05740	0.6
181.06445	0.6
182.07326	1.3
183.08092	0.8
193.06450	2.2
195.04475	1.1
195.08078	0.7
195.13773	1.0
197.06010	0.5
209.06041	5.1
210.06801	6.7
211.07533	4.2
221.06015	4.9
221.11795	1.8
222.06432	0.7
223.02666	2.1
237.05574	3.9
238.06253	6.0
239.07097	100.0
239.10785	7.0
239.12859	4.2
240.07434	9.0
240.11058	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00791	0.2
51.52123	0.2
59.01237	1.0
60.93900	0.2
65.03856	0.3
67.52513	0.2
69.03345	0.3
71.27905	0.2
71.57603	0.2
77.03851	0.3
77.07890	0.2
92.99986	0.2
93.03343	18.5
94.03676	0.7
95.04919	0.3
117.03380	1.8
121.02859	1.4
123.04375	0.7
124.73936	0.3
128.44426	0.3
131.04919	0.3
132.02013	0.3
133.02850	1.0
133.06467	0.7
145.02881	5.5
150.75926	0.3
162.35773	0.2
169.06502	1.0
177.12680	0.3
179.05553	0.7
181.06517	0.3
182.07283	1.3
183.08080	1.0
193.06509	2.2
195.04453	1.0
195.08133	0.5
195.13861	0.3
196.05196	0.5
208.05397	0.3
209.06044	5.0
210.06816	6.4
211.07570	3.8
212.07985	0.4
212.36848	0.2
221.06053	5.7
221.11809	1.0
222.06392	0.7
223.02815	0.7
237.05539	3.2
238.06331	5.7
239.07118	100.0
240.07449	9.4
240.13121	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	2.3
59.01251	11.7
62.40128	0.7
69.03334	1.7
70.87680	2.1
71.01247	2.6
71.04893	22.6
73.02787	0.9
78.95771	1.8
83.01277	0.9
83.04903	1.4
85.02825	1.4
85.06429	0.9
93.03316	0.7
97.06479	10.1
98.06828	0.8
101.02304	1.5
109.06413	0.9
111.08027	1.4
116.92700	0.6
118.02863	0.8
121.02829	1.0
121.10163	1.4
123.08051	1.5
135.08083	0.9
137.09706	0.6
139.07524	0.6
153.09154	3.3
165.09146	3.0
167.71948	0.7
175.14798	1.5
177.12708	1.3
179.10693	1.7
191.14336	1.1
193.12274	0.8
193.15913	7.3
194.16319	0.8
209.15411	32.0
210.15742	2.8
219.13852	19.8
220.14148	1.9
236.98788	1.8
237.03831	1.5
237.14928	100.0
238.05095	0.8
238.15230	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	237.1493
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
52.73219	0.5
53.65041	0.5
54.20845	0.5
56.60191	0.5
57.03325	23.1
58.03643	0.6
59.01254	5.0
59.31961	0.5
69.03310	0.7
70.33241	1.1
70.33630	1.1
71.01265	0.7
74.87801	0.5
83.04882	3.6
95.92732	0.5
107.04926	0.6
109.06482	2.1
113.01280	0.5
139.11159	0.6
149.09608	0.7
153.09138	0.6
167.10733	3.0
174.32800	0.5
177.12740	0.8
179.10648	3.2
193.12119	0.8
193.15892	3.0
195.13846	4.6
209.82564	0.5
219.14020	1.2
237.14931	100.0
238.15282	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	237.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	18.8
58.03656	0.5
59.01254	5.7
61.12500	0.4
68.02410	28.0
69.02118	0.5
69.03307	0.5
71.01250	0.6
71.06110	0.9
73.02819	0.6
83.04899	3.0
85.06440	0.5
85.73386	0.4
96.95900	0.6
97.06487	0.4
101.02354	0.9
109.06459	1.2
123.08035	0.6
149.09560	0.5
152.30199	0.5
153.01910	0.4
167.10710	2.8
177.12758	0.6
179.10709	3.4
193.15913	3.0
194.16205	0.5
195.13879	4.8
201.66623	0.5
209.15401	3.9
219.13844	1.2
237.14925	100.0
238.15276	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	237.1494
Annotation	5,8-Dihydroxy-14-nor-7-marasmanone
Peak:m/z	Relative Intensity
51.47838	0.3
52.01501	0.3
57.03328	21.0
59.00990	0.5
59.01257	6.5
65.01360	0.4
67.01765	0.4
69.03310	0.5
71.01245	1.1
71.04906	0.5
71.58108	0.4
78.95773	1.0
83.04902	3.9
84.83044	0.3
85.06492	0.6
93.03353	1.0
101.02348	0.4
107.04924	0.4
109.02785	0.4
109.06470	1.5
121.02891	0.4
123.08038	1.5
130.04176	0.4
135.11743	0.6
141.09082	0.6
149.09589	0.9
167.10703	3.4
172.06241	0.8
177.12794	1.1
179.10703	2.4
190.43199	0.4
193.15959	3.3
195.13841	4.6
219.10197	0.5
219.13823	1.3
237.09241	2.3
237.14937	100.0
238.05208	0.5
238.15247	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	237.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42256	0.3
53.65774	0.3
57.03323	23.2
58.03648	0.5
59.01254	6.8
59.93848	0.3
67.16969	0.3
69.03336	0.8
70.12453	1.9
70.59982	0.3
71.01262	0.5
72.99195	0.4
73.02806	0.5
78.95767	0.5
81.03330	0.5
83.04888	3.7
85.06461	0.9
95.04883	0.6
97.06477	0.5
99.08019	0.5
101.02306	0.4
109.06478	1.1
123.08067	0.5
135.11731	0.4
139.11078	0.5
141.09154	0.4
149.09641	1.3
153.09122	0.5
161.09628	0.4
161.71361	0.4
165.12952	0.4
167.10712	4.0
177.12770	1.3
179.10698	2.9
193.12282	0.7
193.15895	2.8
195.13829	5.3
219.10240	0.6
219.13882	1.2
237.09427	1.9
237.14928	100.0
238.09744	0.4
238.15282	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	237.0918
Annotation	Micrandrol A
Peak:m/z	Relative Intensity
57.03312	0.7
59.01242	2.1
65.01320	0.9
71.01251	0.8
71.56927	0.6
71.57298	0.9
78.95785	1.2
82.81242	0.5
85.02820	1.2
93.03345	5.4
95.01287	1.8
102.04639	1.5
103.05419	1.8
105.03330	1.0
106.04095	1.8
107.04919	6.2
108.02081	2.4
109.02837	7.4
109.19109	0.5
113.02318	0.5
117.03355	16.9
118.03683	0.9
119.04919	1.0
121.02844	2.8
123.00797	0.8
123.04416	9.7
129.03366	7.4
130.04144	100.0
131.04935	88.5
132.05261	6.3
133.02846	3.7
134.03606	1.6
135.00133	0.5
135.04445	1.0
137.02386	1.2
143.04950	3.5
144.05406	0.6
145.02863	36.4
146.03221	1.2
147.04395	0.6
166.02510	0.6
172.06235	0.8
183.06653	0.6
189.01830	0.7
193.12271	0.7
195.08072	0.9
203.97629	0.6
209.06079	0.5
209.15488	0.6
219.08241	0.8
219.10246	1.0
222.06837	0.9
235.07643	1.8
236.08426	6.3
237.09186	94.5
237.14679	5.1
238.06204	0.8
238.09541	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	237.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03812	0.2
57.03317	0.4
58.05757	0.2
58.25493	0.2
59.01252	5.5
66.00842	0.4
66.21009	0.2
68.02408	100.0
69.02128	1.0
69.02740	2.2
69.03320	2.1
69.43545	1.6
69.43958	0.4
82.49043	0.2
85.91227	0.2
93.06999	0.3
97.06468	5.5
121.10108	1.1
123.00751	0.3
123.08047	7.5
124.08368	0.4
134.97198	0.3
139.07578	0.8
147.11726	1.1
167.07063	0.9
175.14804	1.0
179.10712	0.9
193.15918	0.3
200.06769	0.2
209.15221	0.3
219.13853	0.9
237.08244	0.2
237.11226	0.6
237.14902	9.2
238.15263	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0919
Annotation	Micrandrol A
Peak:m/z	Relative Intensity
53.34463	0.5
55.42182	0.5
59.94325	0.5
60.25378	0.5
70.21941	0.5
70.77564	0.7
70.77907	1.3
87.00771	0.7
91.05382	0.5
93.03342	6.1
103.05443	0.8
117.03324	0.8
119.04935	0.9
121.02867	0.9
130.04118	2.1
131.04922	4.6
143.04933	7.3
199.44460	0.6
207.08064	0.8
209.06114	0.6
209.09418	0.7
222.06799	1.6
235.07671	3.1
236.08379	11.5
237.09178	100.0
238.09491	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	237.092
Annotation	Micrandrol A
Peak:m/z	Relative Intensity
59.04115	0.3
65.01302	0.5
71.01261	0.5
74.13863	0.3
75.00767	0.4
78.95766	0.4
87.00695	0.4
91.05410	0.5
93.03341	7.8
103.05396	0.5
107.04939	0.4
108.02029	0.4
117.03316	1.1
119.04926	0.9
120.63734	0.3
121.02850	0.8
123.04442	0.8
129.03394	0.4
130.04152	3.4
131.04935	6.8
142.28180	0.3
143.04935	7.5
144.05315	0.4
145.02888	0.8
193.08638	0.3
195.08208	0.4
202.92448	0.4
207.08209	0.9
209.06046	0.8
209.09656	0.5
212.71088	0.3
221.06059	0.6
222.06754	2.5
234.06845	0.4
235.07597	3.5
236.08389	13.2
237.09178	100.0
238.09512	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	237.0618
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
57.03306	0.6
59.01221	1.7
65.01303	0.6
71.57660	0.9
71.79967	0.5
76.96875	4.1
78.95779	1.4
81.97633	0.4
83.01276	0.6
93.00027	0.8
94.97921	1.7
96.95954	0.5
106.03999	0.8
106.06485	1.9
121.02806	0.7
121.06520	0.6
121.56538	0.5
134.05972	1.2
136.97229	7.9
137.97198	0.5
138.05498	2.5
138.95152	1.5
152.96733	9.6
160.05988	0.5
164.07048	1.1
164.11980	0.5
166.04999	1.5
168.52979	0.5
170.97791	1.3
172.06187	0.8
172.14751	0.5
175.56580	0.5
176.07051	2.5
178.05005	2.2
183.06694	0.6
194.08160	1.5
201.04028	2.1
209.15306	0.6
210.07707	3.5
217.03481	0.9
219.05096	100.0
220.05183	9.2
221.03027	5.1
237.06171	56.0
237.09003	3.9
237.11331	1.5
237.14932	5.2
238.07181	9.0
238.15256	0.5
248.03824	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96957	0.7
56.73901	0.9
59.01244	2.7
61.19304	0.7
70.33318	3.3
78.95757	1.0
83.59536	0.8
93.30543	0.9
98.19811	0.9
114.89870	0.8
145.53296	0.7
148.05205	8.5
151.00562	3.6
152.00542	4.5
176.08414	1.1
177.09138	39.4
178.09485	2.4
190.09906	1.9
191.10638	1.0
192.11490	32.0
193.12042	1.8
217.08615	1.9
218.09451	7.5
219.06921	0.9
220.07021	11.1
236.10497	100.0
237.10890	7.1
237.14993	3.0
246.64043	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0612
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
57.03314	2.9
59.01248	4.2
60.96355	1.2
65.60518	1.4
70.72346	2.1
70.72699	2.2
71.01265	4.7
72.01594	1.2
72.99193	2.9
74.02345	1.8
75.00750	9.9
76.01094	1.9
78.23925	1.1
78.95791	3.0
83.01286	1.3
85.02838	4.6
87.00758	100.0
88.01097	1.9
100.03922	2.2
101.02333	1.7
129.00977	2.1
129.01854	17.4
147.12375	1.3
149.06076	1.5
168.89101	1.1
177.05437	1.6
237.04001	1.8
237.06047	4.4
237.08232	5.6
238.06958	1.4
242.73990	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	236.0772
Annotation	N-Glycolyl-D-glucosamine
Peak:m/z	Relative Intensity
52.48048	2.3
55.01743	3.2
57.03315	3.3
58.02852	12.5
59.01247	9.7
71.01257	50.4
71.56728	4.0
72.99179	6.2
74.02346	100.0
75.00750	90.1
75.01082	1.7
75.01186	2.9
85.02817	6.1
87.00758	58.0
88.03915	46.6
89.02303	2.6
96.04441	2.6
97.02855	4.5
99.00739	6.6
100.03928	41.3
101.02370	3.4
110.06060	1.9
111.00770	14.4
116.03412	3.4
125.02354	2.3
129.01839	23.7
130.04988	8.5
135.95242	2.1
138.05498	5.0
146.04497	72.4
147.02890	12.5
164.05653	4.8
177.67845	2.3
200.05551	6.9
205.03439	2.9
218.06673	13.1
236.07718	60.8
237.08438	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	235.17
Annotation	Farnesoic acid
Peak:m/z	Relative Intensity
55.99506	0.2
59.01249	6.2
66.00852	0.5
68.02409	40.5
69.02132	0.2
69.02750	0.5
71.01239	0.6
73.02856	0.3
83.04902	0.7
108.04408	0.3
149.05954	0.3
163.14854	0.6
191.17944	2.3
207.14015	0.3
217.15958	1.2
233.15459	1.5
235.16997	100.0
236.17340	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	235.1701
Annotation	[R-(R*,S*)]-6-Hydroxy-2-methyl-6-(4-methyl-3-cyclohexen-1-yl)-2-hepten-4-one
Peak:m/z	Relative Intensity
59.01253	16.3
63.84941	0.5
65.03828	0.6
66.03329	0.6
68.02419	8.5
69.77283	1.3
69.77684	2.9
71.01251	2.6
73.02818	0.8
83.04911	1.1
85.02816	1.0
91.18631	0.7
94.02848	2.0
94.78285	0.5
95.53864	0.5
97.00806	0.7
101.02319	1.4
113.02355	1.1
134.50249	0.6
149.00801	0.6
151.07538	4.9
159.61304	0.6
160.08904	0.7
163.14824	1.3
177.09114	0.6
178.42427	0.6
191.14243	0.6
191.17967	1.7
207.13872	1.0
217.06096	1.5
217.15927	2.6
233.15517	1.3
235.17012	100.0
236.10529	1.2
236.17352	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	235.1699
Annotation	Bicyclohumulenedione
Peak:m/z	Relative Intensity
50.57047	0.2
57.03306	0.3
59.01252	6.6
61.98720	0.2
66.00835	0.4
68.02409	49.0
69.02113	0.2
69.02747	0.9
69.03321	0.2
70.24243	0.9
71.01251	0.9
73.02809	0.3
76.78738	0.2
83.04893	0.6
90.98879	0.2
98.40755	0.2
99.04436	0.2
100.38633	0.2
105.63177	0.2
132.69893	0.2
145.27165	0.2
163.07555	0.3
163.14825	0.7
177.09044	0.2
191.07149	0.2
191.17967	2.1
207.13966	0.3
217.15900	1.5
233.15321	1.4
235.16998	100.0
236.10588	0.5
236.13821	0.4
236.17334	11.5
251.63300	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35752	0.2
52.89224	0.2
53.53347	0.2
55.03951	0.2
57.03324	0.6
59.01255	4.6
61.98726	0.2
64.37576	0.2
65.03838	24.2
66.04155	0.7
66.58996	0.2
67.01740	0.2
67.96217	0.2
68.02402	0.5
69.03323	0.4
70.33283	0.2
70.33640	0.9
71.01263	1.4
73.02821	0.3
80.02559	2.6
81.02883	0.4
81.03337	5.2
83.04902	13.2
84.05222	0.6
85.02818	0.4
89.85082	0.2
93.03351	0.8
94.02867	0.9
95.04886	2.2
97.02854	0.2
97.06468	1.8
98.19857	0.2
101.02324	0.5
106.04109	1.2
107.04920	1.0
107.08566	0.7
109.02821	0.3
109.06480	8.3
110.06800	0.3
113.02391	0.2
119.04900	0.3
121.06467	0.8
123.08063	1.5
125.02283	0.2
125.09619	12.1
126.09946	0.6
135.08057	0.9
135.39616	0.2
137.09621	0.5
141.09140	0.4
142.23073	0.2
151.07581	0.5
153.09129	0.5
153.93307	0.2
161.09651	0.4
163.11165	0.4
169.08638	0.4
173.13255	0.8
189.12776	1.6
191.10674	0.3
191.14349	7.3
192.14685	0.6
193.12305	0.2
199.11209	0.5
207.13843	0.9
217.06110	0.6
217.12283	2.6
218.12575	0.2
235.13368	100.0
236.06841	0.2
236.13712	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	235.1337
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
59.01253	100.0
60.01573	1.1
65.03834	3.4
66.03353	0.6
68.02415	2.9
70.86436	0.6
71.01256	3.5
79.95615	0.8
85.02835	1.7
94.02868	4.2
95.04903	0.9
98.20676	1.3
101.02298	1.3
107.04874	0.7
109.06426	0.9
114.59081	0.6
121.41941	0.6
125.09632	1.8
147.04391	0.8
148.05202	1.2
149.09628	1.7
163.11209	31.5
164.11542	2.2
165.63203	0.7
175.11234	0.7
189.12898	0.9
191.07117	0.9
191.14375	13.5
192.06454	0.7
192.14728	1.0
207.13902	1.2
217.06148	2.7
217.12299	2.5
217.50073	0.9
235.13374	31.5
235.15813	1.3
236.13707	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	235.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22500	0.2
57.03326	2.4
58.59202	0.2
59.01253	3.5
65.03835	100.0
65.27786	0.2
66.04166	3.1
69.03323	0.5
71.01253	0.3
71.04884	0.3
71.58282	0.2
72.99583	0.2
73.02816	0.4
80.02551	0.2
82.68761	0.2
83.01252	0.2
83.04903	0.4
85.02814	0.3
95.04911	0.7
97.06466	7.0
98.06799	0.2
109.06516	0.2
123.08054	4.0
124.08380	0.2
125.09615	50.6
126.09959	2.9
137.09625	0.2
138.04207	0.2
148.05190	0.2
163.07533	0.8
169.08629	1.3
173.13245	1.3
178.09883	0.4
178.55058	0.2
187.09671	0.7
191.14380	0.4
203.10609	0.3
207.13771	0.3
217.12270	2.2
218.12679	0.3
235.13358	73.8
236.13716	7.2
245.65935	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.3
66.00843	1.1
67.00541	0.1
67.01170	0.1
68.02406	100.0
69.02122	0.6
69.02735	1.2
91.36673	0.0
96.01948	0.1
98.19747	0.1
121.02859	0.2
136.05190	0.6
151.07545	4.3
152.07884	0.2
163.07527	0.1
168.04228	0.1
177.09071	0.1
178.09879	0.1
181.98195	0.0
192.00325	0.1
192.99805	0.1
201.53923	0.0
207.13705	0.0
207.17482	0.1
208.00848	0.1
235.01013	0.1
235.13319	0.1
235.17000	0.7
236.00528	0.3
236.17416	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	235.043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44534	0.3
59.00509	0.2
59.01238	0.9
65.03823	0.6
67.63942	0.2
68.02407	5.5
71.01242	0.3
71.57350	0.3
79.35954	0.3
79.95601	24.7
80.96386	0.7
120.08057	0.5
121.06377	0.3
138.03093	0.3
140.35692	0.3
153.12831	0.3
163.07539	1.0
170.07298	0.3
171.08061	29.3
172.08432	2.7
180.72351	0.3
181.05084	0.4
208.06128	0.3
220.02005	0.9
234.53717	0.5
235.04291	100.0
235.13303	1.5
236.04616	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	235.1085
Annotation	3061-90-3
Peak:m/z	Relative Intensity
59.01246	2.7
70.02851	2.0
71.01252	3.1
71.33972	3.2
72.00774	3.7
73.02837	2.0
74.02345	10.2
82.02852	11.4
84.04418	19.3
85.02805	2.2
86.02354	5.2
98.02357	1.9
98.20496	1.5
111.03180	2.4
112.03912	5.4
112.54247	1.3
116.03412	1.6
128.03424	19.4
135.51103	1.3
146.05975	2.8
148.01506	1.3
148.07608	5.1
161.07106	2.0
187.08675	3.4
189.10234	7.1
191.11882	12.2
192.12183	1.7
215.08147	2.0
217.09763	83.7
218.10086	4.6
235.10849	100.0
236.11139	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	234.1494
Annotation	Huperzine W
Peak:m/z	Relative Intensity
52.41356	0.1
53.39551	0.1
59.01251	3.3
60.01580	0.6
60.98783	0.1
65.30155	0.1
66.00838	0.7
68.02409	16.4
69.44455	0.1
71.01207	0.1
98.19753	0.3
134.32820	0.1
151.07559	0.3
165.09019	0.2
179.07040	1.0
189.12848	0.1
191.00017	0.2
191.07083	0.2
193.54442	0.1
204.10190	0.3
207.13849	0.7
218.11804	2.2
219.12427	0.4
231.84019	0.1
234.14943	100.0
234.97594	0.2
235.15269	9.5
251.11588	3.7
252.11955	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1597
Annotation	3,12-dihydroxydodecanoic acid
Peak:m/z	Relative Intensity
55.49569	0.2
57.03329	0.4
59.01236	0.8
65.01322	0.4
65.99705	0.2
67.57981	0.2
68.48264	0.2
72.99176	0.3
73.02792	0.2
92.01395	0.2
92.80895	0.2
131.04851	0.5
133.04083	0.3
133.05049	0.2
134.03543	0.7
134.06026	0.3
139.11179	0.3
141.12743	3.6
145.03957	0.3
145.05190	0.3
148.05064	0.5
155.14272	0.8
159.04431	1.3
159.45827	0.2
171.10213	0.3
174.03127	7.5
175.03583	0.6
183.13815	3.9
184.14392	0.3
185.11754	7.4
186.12119	0.6
187.03941	1.7
187.07530	0.3
195.13826	0.6
197.06012	4.2
198.06686	1.3
199.13348	1.0
211.13324	3.0
213.09157	14.2
213.14894	3.6
214.09557	2.1
231.10269	10.5
231.15967	100.0
232.08543	0.3
232.10599	1.1
232.16307	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	231.2115
Annotation	Aplotaxene
Peak:m/z	Relative Intensity
59.01246	12.7
59.51329	2.0
68.03951	2.2
69.86781	3.5
69.87184	7.5
124.16087	1.9
133.09058	2.1
133.46387	2.4
166.86111	2.1
196.24554	2.4
203.10356	2.3
231.17744	13.0
231.21121	100.0
232.17789	2.6
232.21544	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	233.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	19.7
63.61883	0.7
71.35071	1.5
73.41936	0.7
74.98950	5.7
75.00732	2.1
90.89194	0.8
93.00014	4.8
93.03355	2.4
134.99318	5.9
136.97223	2.4
149.00873	72.3
150.00873	3.4
159.08359	2.5
161.06322	4.4
173.04443	0.9
188.98466	1.5
190.98752	1.3
215.05582	2.0
217.07170	100.0
218.07304	8.3
233.10318	91.6
233.15421	86.3
234.10521	7.9
234.15825	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	234.0072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.3
66.00842	5.2
68.02409	100.0
71.34886	0.1
88.93198	0.1
96.01916	0.3
126.99428	0.2
151.98965	0.1
154.98972	0.3
162.06851	0.1
175.03741	0.1
179.00078	0.1
179.98441	0.3
180.98779	0.1
191.00110	1.1
206.01144	0.4
206.99634	0.1
212.15233	0.1
234.00719	1.9
234.15617	0.1
235.00970	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1442
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
54.75597	0.5
57.03304	1.4
60.44285	0.4
69.41234	4.5
71.01242	0.8
71.04872	0.9
83.04894	1.0
84.02047	0.5
85.02814	0.7
98.20556	0.6
125.09604	2.4
127.11172	4.5
153.12770	1.9
155.14268	1.8
165.12682	1.1
167.14330	1.6
171.10178	4.1
183.13795	2.4
185.11761	3.7
185.58766	0.5
193.12296	0.5
194.14624	0.4
209.11848	2.6
211.13359	16.0
212.13699	1.1
227.13025	0.6
229.00989	0.5
229.14409	100.0
230.14754	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	229.1806
Annotation	13-Hydroxytridecanoic acid
Peak:m/z	Relative Intensity
57.03330	0.3
58.00469	1.1
59.01246	0.6
63.74730	0.2
69.60065	0.4
69.60474	1.0
71.01260	0.3
72.99160	0.2
73.02811	0.5
97.06464	0.4
97.99068	0.2
98.20463	0.3
109.76344	0.2
125.09615	0.2
127.11193	0.4
130.10432	0.2
153.12759	2.0
155.14322	5.7
156.14684	0.4
157.06424	0.2
165.12766	0.5
167.14311	1.1
169.12119	0.2
171.10205	0.4
181.12233	0.2
183.13850	6.6
183.17429	2.4
184.14154	0.6
185.15375	0.4
193.12256	0.2
199.13326	4.6
200.13695	0.5
209.11743	0.3
211.13344	5.5
211.16934	0.8
211.27452	0.2
212.13670	0.6
221.36766	0.2
227.12849	3.7
227.16550	0.7
228.13165	0.3
229.02516	0.5
229.14436	100.0
229.17955	44.0
230.14766	9.7
230.18329	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	231.1233
Annotation	Jioglutin E
Peak:m/z	Relative Intensity
58.59597	0.4
59.01249	28.5
64.46992	0.4
69.53068	1.5
69.53494	1.9
83.04873	0.7
125.05950	1.1
125.09599	1.1
127.11194	1.7
151.11162	3.3
153.09140	0.5
169.12256	31.0
170.12605	2.1
171.10176	100.0
172.10503	5.5
174.03200	0.9
185.11700	0.7
213.09242	0.9
213.11244	9.6
214.11592	0.7
231.03180	0.7
231.12335	50.4
231.15741	6.9
232.12671	3.7
232.16267	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81605	0.2
57.03321	1.2
67.77454	0.2
69.92899	0.2
70.93364	0.7
82.79798	0.2
85.22278	0.2
87.04379	0.3
99.73698	0.2
111.55453	0.2
125.85995	0.2
127.11183	2.6
140.27849	0.2
155.14273	0.7
167.14311	0.4
171.10179	4.3
172.10493	0.4
183.13803	0.6
185.15337	0.3
195.13788	0.5
211.13351	0.3
213.11438	0.2
213.14903	4.3
213.16959	0.2
214.15205	0.2
229.14389	3.4
231.15973	100.0
232.16307	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1442
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
55.72219	0.5
57.03330	0.8
58.00470	1.3
59.01262	4.1
66.22188	0.5
70.02423	2.3
70.02841	1.3
71.01242	2.4
74.02332	0.6
87.00740	0.8
91.61774	0.6
98.19884	1.0
129.20885	0.6
141.12724	1.5
153.12759	2.1
155.14340	5.1
165.12836	0.7
167.14305	2.3
169.12253	1.2
171.10196	0.9
171.57501	0.7
183.13847	6.4
183.17410	0.9
185.06059	0.7
187.13319	4.9
199.13336	3.2
209.11647	0.7
211.13353	6.2
227.12877	2.2
229.04903	1.2
229.14420	100.0
229.18094	3.2
230.14763	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	229.1441
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
50.16389	0.2
50.39573	0.2
55.24870	0.2
56.98742	0.2
57.03302	0.3
58.00467	1.2
59.01250	0.4
59.20556	0.2
71.01254	0.8
73.02832	0.2
78.28199	0.2
83.04909	0.2
87.00764	0.2
151.11194	0.2
153.09129	0.2
153.12756	2.2
154.18690	0.2
155.14325	6.0
156.14749	0.3
163.28702	0.2
165.12770	0.5
167.14310	0.7
171.50844	0.2
181.12256	0.5
183.13837	7.8
184.14111	0.3
185.15352	0.5
193.12225	0.5
196.24879	0.2
199.13338	4.9
200.13693	0.2
201.14955	0.2
209.11734	0.4
211.13351	5.5
211.15428	0.3
212.13626	0.4
227.12854	3.1
228.13177	0.2
229.14410	100.0
230.14752	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	229.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.1
65.01297	0.8
69.45407	0.6
69.45741	5.1
71.01248	0.9
71.04875	0.6
78.95789	0.7
80.83332	0.5
83.04871	0.6
84.02050	1.0
88.34743	0.5
109.06437	0.6
125.09608	2.1
127.11189	4.1
135.55122	0.5
155.14313	1.8
165.12756	1.0
167.14418	1.3
171.10187	3.5
183.13875	1.0
185.11765	3.4
193.12236	0.9
204.97742	0.7
209.11752	2.9
211.13379	10.4
212.13643	0.6
229.10727	2.7
229.14426	100.0
230.14761	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	229.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.0
59.01241	0.4
65.01280	0.2
67.01763	0.5
69.21127	0.3
70.18150	1.2
71.01274	0.6
71.04901	0.5
78.14555	0.3
78.95782	0.5
80.02540	0.3
83.04901	0.8
84.02021	0.4
85.02825	1.0
97.06443	0.4
99.00746	0.7
102.33524	0.3
115.81622	0.3
125.09616	2.2
127.11182	4.1
143.10733	0.4
149.09604	0.5
153.70815	0.3
155.14328	0.9
163.11212	0.3
165.12717	0.7
167.10648	0.5
167.14357	2.7
171.10178	4.3
183.13811	1.9
185.11768	0.3
193.12271	0.9
209.11804	3.1
210.12152	0.4
211.09782	0.8
211.13347	12.1
212.13707	0.9
229.14415	100.0
230.14737	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	229.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12869	0.2
55.47110	0.2
57.03321	0.5
59.01256	0.2
68.47534	0.2
69.72952	1.3
71.01255	0.5
71.22309	0.2
72.88247	0.2
83.04918	0.4
120.48403	0.2
125.09612	0.3
127.11156	0.3
129.05475	0.6
139.11171	0.6
155.14265	0.2
165.12747	0.6
167.14331	30.7
168.14680	2.4
171.10211	0.3
183.13869	0.3
185.15402	1.0
209.11877	0.2
211.13351	20.5
212.13707	1.5
228.90564	0.2
229.14418	100.0
230.14755	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	229.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95444	0.2
57.03322	1.6
60.40192	0.2
62.91689	0.2
71.04885	1.0
83.04894	0.6
83.32207	0.2
84.02038	0.5
85.02810	0.9
85.06496	0.2
89.47129	0.2
97.06467	0.4
98.20577	0.3
101.24948	0.2
123.08070	0.3
125.09618	4.5
126.09872	0.2
127.11180	5.4
128.11526	0.2
155.14319	2.6
156.89642	0.2
165.12785	1.1
167.14339	2.0
171.10181	0.7
175.88162	0.2
183.13879	0.7
185.15541	0.3
193.12352	0.2
209.11777	2.1
211.13341	4.2
229.14401	100.0
230.14751	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	229.1442
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.02905	0.7
57.03311	1.6
61.38728	0.6
66.79518	0.9
69.48595	5.3
73.19091	0.6
83.04882	0.6
84.95660	0.7
85.02819	0.9
99.33289	0.7
125.09627	2.8
127.11193	4.7
128.11516	0.7
155.14333	2.1
167.14325	1.9
171.10252	4.5
183.13806	0.9
209.11780	3.3
211.13351	8.5
229.14417	100.0
230.14758	7.7
232.64261	0.6
235.61818	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57641	0.9
57.03312	1.3
62.42390	1.2
71.44543	2.4
73.56699	0.9
89.07077	0.9
103.27114	1.1
125.09579	2.8
127.11166	4.7
132.58737	1.0
134.38280	0.9
167.14285	2.7
171.10172	3.6
172.56677	1.0
183.13780	1.4
190.93993	1.0
209.11786	3.3
211.13377	11.7
229.14400	100.0
230.14684	5.4
239.18770	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1441
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
50.94564	0.2
57.03320	0.6
71.20848	0.3
71.21186	0.4
83.04899	0.3
91.04889	0.3
94.05180	0.2
97.03329	0.3
98.19891	0.3
98.20490	0.2
99.08034	0.4
114.63666	0.3
119.65858	0.3
129.05464	1.0
154.11076	0.3
165.12747	0.5
167.14330	32.0
168.14691	2.4
182.91629	0.4
185.15395	1.0
211.13339	27.5
212.13692	2.3
228.90331	0.6
229.14407	100.0
230.14743	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	229.1441
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
51.44397	0.4
57.03310	1.3
59.01245	1.4
63.08192	0.3
69.39944	3.8
71.01236	0.5
71.04874	0.4
83.04890	0.5
85.02819	0.8
97.06464	0.8
98.20621	0.7
107.25129	0.4
110.72435	0.4
125.09657	2.5
127.11198	4.2
141.17300	0.4
147.51151	0.5
155.14273	2.4
161.32228	0.4
165.12769	1.0
167.14311	1.8
169.12221	2.9
171.10187	4.0
173.78845	0.4
181.12268	1.1
183.13841	1.1
185.11713	0.7
187.06055	0.6
193.12219	2.0
199.13377	1.0
203.61130	0.4
209.11789	2.6
211.13367	10.7
212.13667	0.5
229.14417	100.0
230.14771	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	229.1439
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
56.25284	0.1
57.03326	1.4
59.01256	0.5
59.86244	0.1
66.00871	0.1
67.01787	0.1
69.77672	0.5
69.78098	0.2
71.04884	0.7
80.02530	0.1
81.03332	0.1
83.04904	0.6
83.68245	0.1
84.02037	0.5
85.02828	0.9
89.22896	0.1
90.44190	0.1
95.04924	0.2
97.06467	0.6
104.10424	0.1
106.04015	0.1
110.29057	0.1
123.08020	0.3
125.09612	3.4
126.09935	0.2
127.11182	4.6
128.11530	0.3
143.10698	0.2
155.10625	0.1
155.14314	2.0
156.14679	0.2
163.11031	0.1
165.12753	0.8
167.14326	1.9
171.10175	4.8
172.10506	0.2
183.13834	1.2
185.15364	0.3
188.41605	0.1
193.12277	0.5
201.11247	0.3
201.14871	0.4
209.11763	3.2
210.12039	0.2
211.13341	7.9
212.13699	0.4
229.14406	100.0
230.14742	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	229.1078
Annotation	Caiophoraenin
Peak:m/z	Relative Intensity
57.03325	2.7
58.00461	0.5
59.01240	1.0
65.01297	0.8
66.38872	0.4
69.03313	1.6
70.60264	1.4
72.99166	0.7
75.00710	0.6
83.04878	0.6
97.06447	0.5
125.09615	3.3
127.11170	1.7
139.11165	1.4
141.12775	4.1
152.79309	0.4
155.10678	1.9
157.93304	0.5
160.05081	0.8
167.10687	4.3
171.10175	1.0
185.11758	100.0
186.12100	8.2
187.06136	0.5
201.11298	1.9
211.13316	1.6
229.08727	0.7
229.10791	15.9
229.14368	13.2
230.10855	1.1
230.14714	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0865
Annotation	bis-(4-hydroxybenzyl)ether
Peak:m/z	Relative Intensity
57.03308	0.6
59.01249	1.5
65.01306	0.7
73.93146	0.5
87.08904	0.6
93.03336	69.5
94.03677	2.4
95.04872	1.4
105.99489	0.6
106.04025	0.8
107.04910	69.8
108.02071	0.9
108.05222	3.2
119.75446	0.7
121.02840	100.0
122.03172	5.3
123.04408	62.0
124.04731	2.7
125.09607	0.9
127.11152	1.1
160.05016	0.8
167.03406	11.0
167.14328	1.0
171.10126	1.8
185.11749	1.0
187.06221	0.8
203.05702	0.7
209.11769	1.1
211.13411	3.6
229.02518	1.0
229.04831	1.0
229.08841	4.8
229.14398	29.3
229.23761	0.7
230.14784	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	227.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
60.42241	0.3
75.08181	0.3
86.72617	0.3
90.08341	0.3
91.15943	0.2
92.44136	0.3
98.19745	0.7
105.82324	0.3
153.12766	0.3
165.12703	0.3
181.15840	0.7
183.13849	0.7
183.17467	1.0
209.11792	3.5
209.15305	2.2
210.12173	0.4
214.66072	0.3
227.16478	100.0
228.16824	10.0
229.41479	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1649
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
54.38559	0.4
58.00477	4.4
59.01245	0.8
69.03309	0.5
69.87936	3.0
71.01276	0.7
73.02823	0.9
80.54559	0.5
83.04923	0.9
84.02036	1.1
96.17146	0.5
97.49348	0.5
102.29409	0.5
106.03960	0.5
137.09550	0.5
151.11218	0.8
153.12769	1.9
155.14290	1.1
163.11285	0.6
165.12784	3.8
171.13907	1.1
181.12299	1.9
183.13840	8.9
184.14258	0.8
197.15416	2.4
199.13344	28.9
200.13794	1.7
209.11801	8.7
209.15384	2.8
210.12215	0.9
225.14978	1.5
227.12929	52.6
227.16466	100.0
227.20218	4.8
228.13278	2.8
228.16843	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	227.1285
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
55.01745	0.5
57.03315	0.6
59.01249	0.7
68.48984	0.4
69.70062	0.4
70.79608	1.3
71.04909	0.4
74.92870	0.4
80.02547	2.4
81.03335	2.1
83.01242	0.6
83.04905	7.5
84.02044	3.7
93.03326	0.9
95.04897	1.2
96.78348	0.4
105.06895	0.4
109.06467	0.6
125.05979	0.8
125.09592	0.8
135.08061	1.6
153.12813	0.6
163.11218	6.6
165.12776	5.2
166.12900	0.5
181.12225	1.4
183.13847	1.0
187.34821	0.5
191.10725	1.6
209.11778	100.0
210.12112	8.2
227.07085	2.1
227.09285	0.5
227.12866	7.1
227.16385	0.5
227.20181	1.5
228.13087	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1649
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
53.61890	0.4
61.23969	0.4
68.02425	0.4
71.57213	0.4
75.89015	0.4
83.04917	0.5
84.02042	0.7
91.35929	0.3
109.70201	0.4
150.74985	0.3
163.11127	0.5
165.12767	0.7
181.15930	0.6
183.13818	1.1
183.17477	1.1
199.13318	1.1
209.11827	5.3
209.15413	2.0
209.92012	0.4
210.12090	0.5
220.00731	0.3
227.12834	4.1
227.16481	100.0
228.13185	0.5
228.16797	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	227.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.7
59.01244	1.6
71.05730	1.1
80.02570	2.3
81.03335	1.6
83.01271	0.6
83.04899	8.8
84.02041	3.5
93.03371	0.6
95.04907	1.3
96.04459	0.4
96.89838	0.4
106.04042	0.4
109.06495	0.9
115.46928	0.4
122.46187	0.5
125.05993	1.2
130.89670	0.4
132.05597	0.4
135.08075	1.5
158.68185	0.4
163.11209	6.3
164.11497	0.6
164.59914	0.4
165.12785	4.8
181.12192	1.2
183.13802	1.1
191.10707	1.3
209.11775	100.0
210.12109	7.6
227.03598	0.9
227.07080	1.3
227.09189	0.9
227.12866	9.4
227.16444	1.4
227.20097	4.0
228.13091	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1285
Annotation	(-)-12-hydroxy-9,10-dihydrojasmonic acid
Peak:m/z	Relative Intensity
52.94324	1.0
53.00200	2.2
57.03328	6.5
59.01242	1.7
67.01775	1.5
69.03305	2.1
71.58186	1.4
71.58607	1.3
73.02849	1.5
79.01739	1.4
80.02555	2.2
81.03323	3.3
83.04884	10.5
84.02041	4.3
93.03347	1.2
95.04896	4.7
97.06473	22.4
99.92477	1.3
109.06448	1.1
111.00765	1.3
111.04422	1.2
119.46457	1.3
125.05949	1.2
125.09629	1.0
128.07048	1.9
133.10138	2.1
135.08037	2.1
137.23415	1.2
149.09613	3.2
151.11191	100.0
152.11520	7.1
153.12671	1.8
155.14320	1.6
163.07458	1.6
163.11183	5.0
165.12770	8.6
181.08618	2.7
181.12180	2.7
183.13846	17.8
184.14232	1.7
191.07019	3.0
191.10632	3.0
195.10165	10.5
199.13322	26.8
200.13693	2.3
209.11769	81.8
210.12071	5.5
213.11183	5.3
226.90681	2.2
227.04834	28.8
227.07033	2.4
227.09192	3.0
227.12848	66.9
227.16261	8.0
227.20100	12.4
228.05072	2.4
228.13142	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	227.1285
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
58.59366	0.3
69.35797	2.8
71.04895	0.4
75.67181	0.3
79.07745	0.3
80.02546	1.4
81.00889	0.4
81.03331	1.2
83.01224	0.4
83.04908	5.7
84.02034	2.3
95.04887	0.7
104.46480	0.4
125.05962	0.8
133.29375	0.4
135.08084	0.7
137.01799	0.3
152.33473	0.3
163.11188	4.0
165.12749	3.1
181.12245	0.8
191.10703	1.2
199.13307	0.5
209.11778	100.0
210.12120	9.0
227.12857	4.1
228.13205	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1285
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
57.03321	2.4
58.00462	2.0
59.01247	4.5
61.16071	0.7
64.35790	0.7
67.83392	0.6
69.03304	0.9
69.50931	1.8
69.51338	4.1
69.53526	0.7
69.84797	0.6
70.01342	0.7
71.01212	0.8
71.04887	1.3
73.02795	0.7
79.58398	0.7
79.95612	2.5
80.02548	2.4
81.03321	2.1
83.04894	7.4
84.02032	3.7
85.91205	0.7
93.03357	1.0
95.04922	2.0
97.06487	2.2
106.04054	0.9
109.06479	0.9
111.08054	4.2
125.06030	1.1
135.08046	0.8
140.81743	0.8
141.12743	2.3
156.98747	2.1
157.05080	1.3
161.00584	0.7
163.11212	4.8
165.12759	27.6
166.13058	2.0
169.12254	5.2
171.13786	1.5
181.12260	2.7
183.01146	0.9
183.13832	27.1
184.14151	1.8
191.10687	1.8
192.11259	1.5
199.13326	22.0
200.13637	0.9
209.11768	100.0
210.12122	8.4
227.02798	2.8
227.07596	4.3
227.12830	95.2
227.20081	3.4
228.13147	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	227.1284
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
64.17931	0.5
65.24139	0.5
71.44757	0.6
71.45103	0.6
72.57829	0.5
80.02550	2.7
81.03332	1.7
83.01270	0.6
83.04897	8.3
84.02039	3.7
95.04922	0.9
97.60947	0.5
109.06438	0.5
125.05968	1.2
135.08011	0.8
147.11641	0.9
163.11191	6.4
165.12752	4.7
181.12320	0.9
191.10701	1.6
191.20219	0.5
199.13324	1.4
209.11757	100.0
210.12093	10.9
227.07404	0.9
227.12820	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1284
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
57.03313	0.7
58.00467	8.1
59.01231	1.4
69.03322	0.8
71.01246	1.1
71.02945	1.1
71.03259	0.7
73.02813	1.3
81.03335	0.7
83.04887	2.3
84.02042	2.0
94.15128	0.6
96.31099	0.6
102.42361	0.5
111.08009	0.8
113.27657	0.6
125.09595	0.8
135.10782	0.6
137.09502	0.7
151.11229	1.1
153.09091	0.7
153.12738	2.0
155.14340	1.9
163.11183	2.1
165.12773	3.8
166.13147	0.7
169.12277	1.4
171.13818	2.6
181.12231	3.9
183.13853	4.4
184.14270	0.7
191.10674	0.9
199.13327	55.3
200.13681	4.4
209.11766	30.4
210.12071	2.4
216.95724	0.5
227.12846	100.0
227.16498	4.3
227.20145	2.5
228.13181	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	227.1284
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
57.03291	0.8
58.00440	2.8
58.41471	0.7
59.01212	2.0
65.01294	1.3
69.02236	0.6
70.91830	1.6
71.04879	0.8
79.95584	1.1
80.02508	1.7
81.03298	2.5
83.04894	6.2
84.02029	4.0
90.63838	0.6
91.02854	1.1
93.03316	0.6
95.04878	1.4
95.54054	0.6
97.06440	0.9
98.69397	0.7
106.03991	1.1
107.04916	0.7
113.05988	0.7
125.05945	0.8
130.03925	0.8
134.03465	0.7
135.08051	1.4
136.01457	0.7
139.11218	0.7
151.11377	0.6
153.12682	0.9
155.14293	1.4
157.05135	1.3
158.03412	1.0
159.06635	1.0
163.11191	7.6
165.12772	6.3
169.12247	1.2
171.13841	1.5
174.06633	1.2
181.12254	2.7
183.13823	1.8
185.08237	0.7
187.82916	0.8
191.10692	2.4
199.13333	28.2
200.04460	0.7
200.13654	2.1
201.07722	1.7
209.11774	100.0
210.12099	9.0
227.02765	4.0
227.06894	2.0
227.09213	1.7
227.12849	64.1
227.16487	1.7
227.20116	4.1
227.52907	1.3
228.08775	0.8
228.13254	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	227.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38152	0.9
70.69265	2.1
75.29371	0.8
78.13271	0.8
83.04882	0.8
84.17516	0.9
111.07980	0.9
116.81577	0.7
137.05716	0.8
147.60939	0.7
165.12750	18.3
168.26234	0.7
183.13834	100.0
184.14169	6.7
209.11786	7.9
227.12823	16.7
227.16365	1.2
227.20103	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	227.1284
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
66.96652	0.4
102.23016	0.4
102.85457	0.4
111.08035	0.9
136.53110	0.3
137.59834	0.4
148.54436	0.4
165.11334	0.9
165.12759	17.5
166.13123	1.3
183.13826	100.0
184.14145	7.8
207.46239	0.4
209.11752	2.4
212.06815	0.4
227.12837	18.2
228.13144	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	227.1285
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
57.03323	1.8
58.00459	1.0
58.54825	0.8
59.01250	1.8
65.01287	1.1
69.03310	1.1
71.04897	1.6
71.58572	1.3
80.02528	1.5
80.40681	1.0
81.03304	2.2
83.04892	9.9
84.02028	2.9
85.02867	1.0
92.17728	0.9
95.04893	1.6
97.06481	5.3
99.08039	3.4
101.05960	4.5
125.05967	1.3
125.09648	1.2
127.07545	3.1
137.02299	1.1
139.11172	3.4
159.06761	1.1
160.05096	1.2
163.11198	6.9
165.12766	9.7
181.12279	3.4
183.13826	64.0
184.14169	5.9
191.10680	1.1
199.13307	13.3
209.11766	100.0
210.12120	10.1
226.90654	3.3
227.07068	1.9
227.12843	57.7
227.16269	6.7
227.20125	12.0
228.08849	1.8
228.13354	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	227.1285
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
50.83516	0.3
58.00460	0.5
59.01249	0.6
61.56295	0.4
68.02421	0.8
69.86832	1.4
69.87245	0.6
72.81861	0.3
79.95601	0.6
83.04893	0.8
84.02024	0.4
95.04908	1.5
97.06492	0.5
123.08044	0.4
125.05943	0.4
125.67342	0.4
139.02121	1.0
139.11156	1.1
143.97890	0.7
144.98212	1.9
151.11206	2.4
153.12747	5.4
154.13084	0.6
155.14325	0.8
161.69234	0.3
163.11185	1.2
165.12747	3.5
180.46889	0.3
181.12267	3.1
183.13809	0.8
191.10699	0.5
199.13348	6.5
209.11775	11.0
210.12068	1.0
225.11336	0.9
227.02545	2.6
227.12833	100.0
228.13181	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	227.1284
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
51.94042	0.4
51.98899	0.4
52.21112	0.5
55.48816	0.4
56.70257	0.4
57.03320	0.6
58.00453	1.6
59.01257	2.5
65.01308	0.6
65.99715	0.5
69.03309	0.7
71.58166	0.6
79.95612	1.2
80.02555	2.5
81.02889	0.5
81.03310	2.1
83.04900	8.0
84.02042	3.5
91.02884	0.5
93.03330	0.4
95.04889	0.9
97.06470	0.6
109.22267	0.5
125.38435	0.5
135.08054	0.8
139.11166	1.4
147.11697	0.5
149.82053	0.4
153.12720	0.8
155.14325	0.6
161.09566	0.4
163.11185	7.2
164.11499	0.5
165.12755	4.7
181.12283	2.0
183.13850	1.3
185.04556	0.5
191.10684	1.2
199.13324	9.2
200.13644	0.9
201.07762	1.1
201.40691	0.5
209.11769	100.0
210.12109	9.2
227.02849	2.6
227.05490	1.0
227.12836	22.0
227.16542	1.4
227.20131	2.3
227.53052	0.5
228.08949	0.6
228.13152	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	227.1285
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
57.03339	1.5
58.00470	6.4
59.01250	2.0
69.85487	1.2
69.85898	2.3
71.01270	1.3
71.04897	1.2
73.02821	3.5
79.17517	0.5
79.27876	0.7
81.03352	0.7
81.41808	0.6
82.09657	0.6
83.04906	1.6
84.02041	1.5
85.02798	0.6
87.92820	0.6
93.03331	0.9
97.06442	0.8
98.20532	1.0
100.10282	0.6
107.13121	0.7
111.08125	0.8
125.09631	0.7
133.04555	0.6
139.11197	1.2
141.09184	0.6
151.11282	0.9
153.09154	0.7
153.12743	2.8
155.14326	1.7
163.11212	1.8
165.12767	6.0
169.12259	1.3
171.13832	2.2
181.12273	5.5
183.13835	10.4
184.14246	0.8
191.10722	1.5
195.31898	0.6
199.13344	52.4
200.13715	3.9
208.93314	0.8
209.11778	16.7
210.12137	1.3
218.06551	0.6
227.12852	100.0
227.16505	4.5
227.20088	11.6
228.13258	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	227.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23758	0.3
57.03314	0.4
59.01233	0.7
69.48419	1.3
69.48849	1.2
71.04872	0.7
80.02541	2.1
81.03326	2.2
83.04897	8.4
84.02044	3.8
93.86337	0.3
95.04899	1.0
98.20606	0.7
109.06525	0.4
111.86147	0.3
122.86309	0.3
123.20188	0.3
125.05971	1.1
125.09564	0.6
135.08015	0.6
139.11163	0.3
155.07005	0.5
163.11194	6.4
164.04387	0.4
164.11552	0.5
165.12750	4.2
169.12169	0.6
181.12276	1.2
191.10757	2.2
199.13264	1.4
209.11763	100.0
210.12123	9.6
227.07404	1.9
227.12794	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1284
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
53.96815	0.4
57.03319	0.7
59.01259	2.4
62.66920	0.4
65.01278	0.4
67.01691	0.4
71.01237	0.9
71.04866	1.3
71.57811	0.5
78.06175	0.3
79.97916	0.4
80.02528	1.8
81.03329	1.9
82.50314	0.3
83.01248	0.5
83.04897	6.9
84.02032	3.0
93.03307	0.7
95.04857	1.1
97.06425	0.4
99.92442	0.4
109.06453	0.5
111.08002	0.6
121.02877	0.6
125.05952	0.6
125.09590	0.9
127.07546	0.4
127.11134	0.4
130.08627	4.2
135.08037	1.1
139.11188	1.0
141.12683	0.7
149.05943	0.6
153.12694	0.8
163.11185	4.8
164.11581	0.5
165.12756	5.7
166.13107	0.4
169.12247	1.2
170.03853	0.5
181.12276	1.5
183.12177	0.6
183.13826	11.2
184.14185	0.7
191.10667	1.6
197.11931	0.4
197.29515	0.4
199.13354	6.0
200.13655	0.5
201.07672	0.5
209.11766	100.0
210.12100	8.9
227.03209	0.9
227.07129	0.8
227.09189	0.9
227.10992	0.9
227.12834	21.1
227.16489	1.7
227.20110	5.1
228.13191	1.4
228.16011	1.8
228.20441	0.6
247.98854	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1856
Annotation	Myristoleic acid
Peak:m/z	Relative Intensity
50.89101	5.4
55.90294	6.1
59.01244	11.0
65.00185	13.3
71.58134	10.8
87.73844	5.8
93.03340	19.6
101.38906	7.5
136.98747	9.9
137.02380	9.3
165.01686	6.4
207.10133	10.6
208.97586	9.7
225.00606	14.7
225.11220	22.3
225.14995	7.9
225.18575	100.0
225.22096	12.3
226.18805	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	225.222
Annotation	Muscol
Peak:m/z	Relative Intensity
52.72659	0.2
55.01752	0.8
57.03334	0.3
65.00196	0.4
68.87855	0.2
69.03331	0.3
69.30270	2.5
77.26936	0.2
82.75433	0.3
83.04900	0.4
84.51958	0.2
93.03321	0.6
103.25516	0.2
136.98759	0.5
159.07318	0.2
197.19064	2.0
202.67644	0.2
221.19066	1.4
223.20633	7.5
224.21071	0.6
225.22195	100.0
226.22537	10.2
226.24797	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0711
Annotation	3,7-Dihydroxy-1,9-dimethyldibenzofuran
Peak:m/z	Relative Intensity
59.01250	1.1
67.01762	1.5
68.57845	0.8
68.99698	0.9
69.03343	1.6
71.57912	1.0
80.02566	1.2
81.03336	1.2
82.00475	3.7
83.01265	1.1
83.04893	4.1
84.02026	1.5
92.02558	5.2
93.03330	1.5
95.01266	32.0
95.04910	0.9
97.02843	1.0
99.04410	7.8
99.92464	1.8
108.02056	61.1
109.02392	2.5
122.03333	0.7
123.00771	2.8
126.99461	48.2
127.99799	2.6
136.01566	60.5
137.01982	2.4
139.11177	1.0
163.11185	3.2
165.12726	3.9
181.06538	0.9
181.12225	1.0
183.08026	4.8
183.13840	9.0
199.13324	2.0
206.57257	0.8
209.11780	48.8
210.12129	4.3
227.07097	100.0
227.12865	11.6
227.16478	14.2
227.20055	11.6
228.07428	9.2
228.20378	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	3.1
60.17112	0.5
65.41307	0.6
69.41564	4.2
83.04888	0.8
86.05110	0.5
98.20578	1.2
113.51424	0.6
113.74694	0.6
129.60820	0.6
139.58835	0.7
163.14821	1.0
169.12360	0.9
181.12245	1.2
181.15901	0.7
189.12801	0.8
195.13837	8.0
197.15437	4.0
207.13843	23.3
208.14156	2.4
225.14909	100.0
226.15244	10.6
232.85323	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20694	0.9
57.03329	1.3
59.00980	1.6
59.01251	16.3
69.03325	5.9
73.02814	1.3
81.03320	1.4
83.04889	2.8
85.02810	1.9
93.03328	3.4
95.04881	1.1
97.02818	2.8
97.06403	1.4
98.19736	1.9
99.00727	1.3
101.02288	1.7
109.06473	4.3
111.04431	1.1
111.08018	0.9
119.04898	1.2
136.05197	1.4
137.02315	2.0
152.08302	2.1
163.11241	8.2
163.14827	2.6
169.12227	1.4
171.06822	1.0
172.05025	1.1
179.10719	3.2
179.14310	1.1
181.12253	9.9
181.15840	1.7
189.12753	1.2
195.02831	2.6
195.13844	12.0
195.26208	0.9
197.15369	6.7
198.07767	3.0
199.06215	1.2
207.08337	1.7
207.10228	25.1
207.13832	42.6
208.10471	1.5
208.14137	3.7
210.05301	2.5
225.09322	1.6
225.11366	44.6
225.14893	100.0
226.11624	4.0
226.15211	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	225.1128
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
57.03324	2.8
59.01255	100.0
62.11245	1.0
62.82631	1.3
63.89840	0.9
70.83778	2.6
74.02352	1.9
81.03340	2.7
83.04893	1.4
93.03359	2.0
94.61934	1.0
95.04891	1.4
109.02856	1.6
110.67273	1.1
121.06487	2.5
123.04426	3.2
130.04108	1.7
133.06461	2.7
135.04465	3.5
137.02335	1.8
137.09630	1.6
139.03960	1.7
145.06494	7.3
147.08073	1.7
149.02354	2.4
153.09068	1.2
163.07561	2.2
163.11171	2.6
165.05545	2.0
165.09158	4.6
166.05043	4.4
167.03360	1.1
181.08708	2.1
181.12238	3.1
185.77417	1.0
198.05598	1.6
207.10164	1.6
225.07771	1.8
225.11284	29.9
225.14827	1.5
226.11609	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	225.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96320	1.1
57.03320	3.4
59.01252	100.0
60.01591	1.1
70.92877	1.7
70.93180	1.2
71.04879	6.6
81.03346	1.8
81.66618	1.0
87.04387	11.3
93.03344	1.7
95.04919	9.1
97.06522	1.2
107.04940	2.8
108.01311	1.1
109.06487	3.7
110.64542	1.0
111.08047	0.9
123.08054	30.7
124.08396	2.0
126.03814	1.0
147.08076	1.7
163.11211	10.1
165.09128	3.0
181.12283	2.4
183.10185	2.3
191.83023	1.1
193.26776	1.1
207.10258	3.9
225.05627	1.5
225.11264	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	225.1127
Annotation	Chloriolide
Peak:m/z	Relative Intensity
51.13324	1.2
53.81228	1.1
59.01266	5.6
71.56693	1.1
71.57046	1.1
71.63766	1.0
83.04902	2.3
93.03381	1.7
97.02827	12.2
99.00756	2.8
106.04042	1.3
109.06474	3.5
110.03627	3.9
125.09595	1.7
135.08025	2.4
136.05196	2.4
141.70497	1.1
142.02657	6.4
163.11218	11.0
179.10713	1.3
181.12283	28.2
182.12645	2.3
197.11919	1.4
199.06181	1.9
207.10207	76.8
208.10506	6.8
225.11282	100.0
225.14558	9.5
226.11612	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	225.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28878	0.3
57.03320	1.5
57.16915	0.4
59.01250	100.0
60.01586	1.5
69.28964	3.2
79.42505	0.5
81.03332	0.8
83.04896	1.2
88.04879	0.3
95.04935	0.7
97.06474	2.0
98.19777	0.9
109.06495	0.6
120.47562	0.3
131.57095	0.4
135.08044	1.1
137.09641	0.5
139.94943	0.4
147.08055	2.7
152.08354	0.5
163.11197	1.4
165.09113	2.9
181.12277	1.5
207.10168	0.5
212.79161	0.4
225.11266	29.0
226.11586	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	225.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	2.8
57.51466	0.8
59.01254	100.0
60.01582	1.9
64.43702	0.7
68.02411	2.3
69.03333	1.1
71.04893	8.9
71.13253	1.6
81.03329	2.5
83.04924	1.4
87.04389	8.2
93.03316	1.2
95.04910	7.0
96.29555	0.8
97.06487	1.9
101.02329	1.5
107.04914	1.9
109.06462	3.2
112.14834	0.7
121.06468	1.7
123.08055	39.8
124.08395	1.5
125.06080	1.1
137.02284	1.2
147.08043	1.1
156.05530	1.0
163.11208	8.9
165.09108	2.1
180.47546	1.0
181.12288	3.1
183.10268	2.2
199.06285	0.9
207.10165	2.8
209.84637	0.8
225.11288	19.1
226.07234	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1128
Annotation	Chloriolide
Peak:m/z	Relative Intensity
53.70727	0.5
57.03328	1.1
59.01254	5.8
62.29328	0.5
69.03341	1.2
70.57037	0.6
71.04868	0.6
71.18721	0.9
73.02821	1.4
80.02539	0.7
81.03345	1.6
83.01247	0.8
83.04910	2.2
84.02048	0.8
85.02863	0.5
93.03328	1.7
95.04916	0.5
97.02830	10.8
97.06476	0.6
98.03174	0.6
99.00743	1.4
101.02354	0.8
106.04153	0.8
109.06473	17.2
110.03620	3.9
110.06840	0.6
111.04395	1.1
121.06496	1.3
123.04420	1.0
123.08038	0.8
125.09564	0.8
125.65816	0.5
135.08066	3.0
136.05203	2.4
142.02623	5.8
145.10191	0.8
151.07561	0.9
151.11186	0.6
152.08345	1.3
161.09624	1.6
163.11200	15.2
163.12497	1.1
164.11497	1.1
165.01898	0.5
165.09142	0.9
178.83354	1.1
179.10695	1.5
180.04100	0.6
181.12260	14.2
182.12573	1.0
189.09143	0.6
195.03021	0.7
195.06511	0.5
197.11830	0.8
207.10205	74.5
208.10519	5.7
210.05261	0.8
225.11273	100.0
225.14915	4.2
226.11638	9.2
226.15167	0.8
241.07199	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1334
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
55.01766	0.4
57.03322	1.9
58.43890	0.4
59.01250	7.2
69.03331	8.9
69.26801	1.0
69.27214	3.1
71.01257	1.0
71.04899	2.2
80.02531	0.4
83.04885	1.4
85.06455	1.5
93.03316	0.9
95.04881	1.0
97.06480	0.8
98.20161	1.9
99.04421	0.4
103.79354	0.3
108.05677	0.4
109.06499	2.3
111.08067	0.5
123.08035	0.6
125.09592	1.3
127.07531	0.5
133.10109	0.4
135.11681	0.9
141.09087	1.6
149.09607	1.8
151.11166	0.6
153.09096	0.9
159.11717	0.4
161.13237	1.2
164.83540	1.7
167.10683	10.9
168.10956	0.7
168.65997	0.4
176.83566	0.5
177.12759	1.7
179.10721	4.6
179.14336	10.4
180.14645	0.9
187.11133	0.5
193.01291	0.7
195.13837	28.6
196.14136	2.9
205.12273	24.9
206.12526	2.2
223.13338	100.0
224.13686	10.2
230.15610	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.9
59.01249	5.3
61.68991	0.8
69.03329	9.3
70.03064	3.7
71.04889	2.0
83.04884	0.9
85.06470	1.6
95.04921	1.5
109.06496	1.5
110.79211	0.9
149.09631	1.9
159.36143	1.0
161.13164	1.1
167.10683	12.1
177.12697	1.0
179.09088	0.9
179.10701	3.4
179.14326	9.5
180.14687	1.0
187.17505	0.8
193.09106	0.9
195.13824	29.4
195.15558	1.9
196.14166	3.1
205.12285	21.6
206.12604	1.4
223.13342	100.0
224.13693	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	223.1336
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
57.03311	1.5
59.01257	9.8
69.03325	8.3
71.04896	2.4
71.34299	2.2
75.70014	1.2
77.06670	1.2
82.30106	1.2
85.06456	2.0
88.52747	1.3
95.04885	1.4
105.60825	1.4
109.06488	1.8
125.09618	1.7
149.09616	1.4
155.84665	1.2
161.13246	1.4
166.06343	2.1
167.10701	10.4
176.97841	1.4
177.12756	2.2
179.10713	5.4
179.14360	9.9
195.13857	34.7
196.14192	3.7
205.12268	23.1
206.12576	1.8
218.36076	1.2
223.02811	6.8
223.13351	100.0
224.02971	1.3
224.13756	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	223.0607
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
56.38047	1.1
56.86084	1.2
59.01254	2.5
59.81358	1.0
65.00205	1.7
67.47079	1.1
69.65102	8.2
72.80257	1.1
93.03332	21.0
103.03541	1.2
107.01251	1.3
108.02058	1.5
109.02833	1.6
121.02837	31.1
122.03140	2.2
135.04437	12.6
136.01547	1.2
137.02347	3.5
142.28627	1.0
149.02342	64.1
150.02661	3.8
152.01054	18.1
153.77916	1.2
163.03911	20.0
163.05193	1.8
164.04692	35.3
165.01833	14.9
165.05005	2.6
167.03378	3.2
169.04988	8.8
179.03365	1.2
179.07028	11.8
193.01358	74.7
194.01625	3.6
195.02902	1.1
208.03717	100.0
209.04095	7.5
223.06079	50.9
223.13158	1.6
224.06346	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	223.089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	17.6
70.63449	6.7
71.01250	3.5
78.25121	2.4
83.01275	2.0
84.58994	2.0
95.94355	2.3
101.02357	3.4
108.65945	2.1
110.99955	19.0
154.98964	6.0
165.00990	4.5
179.14224	2.4
189.23068	2.2
193.01335	6.8
195.13869	2.6
205.12198	3.2
208.03719	7.1
223.05455	21.0
223.08891	100.0
223.13333	24.7
224.09280	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	223.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	3.5
57.03320	10.1
59.01239	11.1
61.91242	1.6
64.95217	1.6
68.99687	1.8
71.01251	16.2
71.04237	1.9
71.04610	5.2
72.99158	8.8
75.00771	8.3
78.95797	2.6
81.03305	2.0
81.82472	2.2
83.01254	8.7
84.02036	3.5
85.02828	100.0
86.03167	2.0
89.02337	2.9
97.34138	1.9
99.00770	4.8
101.02337	3.0
103.00222	1.9
111.00764	7.1
125.02350	5.4
126.89475	1.7
129.01837	9.9
129.42960	2.1
143.03409	2.2
147.02901	6.5
191.01906	9.4
192.04247	1.5
205.03500	4.8
208.03757	2.5
223.02666	6.4
223.04547	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	223.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49982	0.7
53.06011	0.7
55.01762	3.8
57.03326	10.2
59.01249	11.2
59.01720	0.9
71.01260	11.2
71.26729	0.9
71.27078	1.9
72.99194	4.7
75.00745	6.9
83.01255	7.8
84.02037	2.6
85.02826	100.0
86.03154	2.9
87.00756	2.0
89.02301	3.7
91.32618	0.8
93.86789	0.7
99.00745	2.5
101.02319	1.7
103.00239	2.1
108.37771	0.8
111.00782	5.2
115.00264	1.1
125.02323	2.3
129.01866	5.2
129.28383	0.9
133.01251	1.9
133.05008	0.9
143.03403	3.8
144.27274	0.8
146.75955	1.0
147.02879	4.3
173.00803	1.1
191.01892	13.3
205.03450	2.9
208.03737	1.1
223.04501	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.1
59.01247	1.6
59.96588	0.8
61.98720	0.1
69.03331	0.3
71.01226	0.3
74.98946	12.0
75.96071	0.8
75.98913	0.3
93.00011	12.5
93.03335	0.2
93.99965	0.5
96.95901	0.2
98.19729	0.2
101.02320	0.4
121.02818	0.2
123.04444	0.1
149.00865	12.8
150.00859	0.7
150.98807	0.7
152.96722	0.2
155.90224	0.1
163.06039	0.2
165.01828	0.3
167.10796	0.2
179.10661	0.3
179.14348	0.4
193.01328	0.6
195.13817	0.8
205.12236	0.3
206.99643	4.9
207.99770	0.6
208.03648	0.7
208.97556	0.2
223.02789	100.0
223.13290	4.1
224.02814	12.8
224.11497	0.2
224.13654	0.3
225.00711	0.4
225.03217	0.2
228.22025	0.1
229.24974	0.2
241.03862	3.8
242.03954	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0769
Annotation	Carboxysalsolinol
Peak:m/z	Relative Intensity
58.02848	43.6
59.01251	40.0
65.99714	11.5
70.32915	9.2
71.56884	11.8
72.99203	7.8
73.76019	6.8
75.96609	8.2
81.31811	7.5
81.99822	7.7
85.02807	14.8
93.03349	51.9
94.06517	9.5
98.02341	8.6
101.02277	8.3
107.04897	35.7
108.02063	20.1
109.02853	12.1
119.04914	66.2
121.02869	18.5
123.04393	25.7
124.03921	10.6
131.03638	13.3
134.03548	12.9
135.04431	100.0
136.04831	9.3
136.07587	41.1
147.04422	16.4
150.05524	15.7
151.03906	23.4
162.05533	40.9
163.03902	21.1
171.01979	8.1
174.05450	25.3
178.08640	15.1
179.10721	10.0
180.06573	51.0
192.06544	39.1
208.03735	11.9
222.07684	97.3
223.02721	66.1
223.09819	10.0
223.13362	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	221.1543
Annotation	(-)-Kobusone
Peak:m/z	Relative Intensity
59.01252	17.6
60.78786	0.7
69.03312	0.9
70.02469	3.1
71.01238	1.2
83.04902	1.1
94.02879	3.1
98.20438	0.9
117.85821	0.8
124.03957	5.4
149.13275	1.6
163.00259	2.0
177.16428	4.3
190.99789	6.9
203.14400	4.0
206.02151	5.2
206.09509	1.0
219.13799	1.0
221.04482	1.9
221.15431	100.0
222.15782	9.0
225.86298	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1541
Annotation	Polydactin A
Peak:m/z	Relative Intensity
59.01250	20.4
69.03332	1.3
70.33463	3.5
71.01241	1.1
72.33629	0.8
83.04894	1.8
94.02895	1.2
107.01277	1.2
119.01266	1.0
121.02886	1.3
124.03919	3.3
133.06485	0.9
135.00764	2.0
149.09674	0.8
149.13249	2.4
158.83740	0.8
159.86374	0.8
163.00258	5.5
177.01855	1.2
177.03993	2.0
177.05457	2.1
177.12801	1.3
177.16417	3.8
179.92561	0.8
190.99789	20.6
192.00211	0.8
203.14293	4.9
205.07216	3.3
206.02135	15.3
207.02525	1.3
217.23743	0.8
219.13847	1.3
220.99550	0.9
221.04443	5.6
221.08224	1.7
221.15425	100.0
222.15746	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	221.1542
Annotation	(-)-Kobusone
Peak:m/z	Relative Intensity
50.48203	0.3
58.30275	0.3
59.01254	7.4
61.98709	0.5
69.82252	0.3
71.13832	0.8
77.91392	0.3
90.80565	0.3
94.02854	0.8
94.83780	0.3
107.01264	0.5
121.06478	0.3
124.03928	1.5
127.07540	1.0
135.00784	0.9
148.05197	0.5
149.02373	0.4
149.06032	0.6
151.07526	0.7
161.04480	0.4
163.00288	2.3
164.08325	2.1
177.05455	0.9
177.06984	0.4
177.09044	0.4
178.98460	1.3
190.99809	8.4
192.00098	0.6
205.12408	1.5
206.02148	8.9
206.09416	0.4
206.12666	0.9
207.02530	0.6
207.13876	2.9
220.14616	3.8
220.99419	0.7
221.04543	2.5
221.11836	2.9
221.15421	100.0
222.05550	0.4
222.15765	8.1
235.13283	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	221.0814
Annotation	Monoisobutyl phthalate
Peak:m/z	Relative Intensity
57.03306	1.9
59.01253	36.2
59.41905	1.2
69.03328	42.3
70.87032	3.2
70.87376	2.3
71.01274	3.1
71.04890	100.0
72.05244	4.0
73.02822	2.0
75.00751	2.1
75.02275	2.1
83.04929	2.3
85.02826	3.4
93.03342	3.5
101.02320	2.7
107.04911	2.8
108.02071	1.6
113.02359	1.7
121.02842	49.0
122.03188	1.4
123.04379	2.1
131.03474	2.1
134.03638	24.5
139.03896	1.9
147.00746	4.2
147.08076	4.1
149.02345	3.3
149.09624	8.6
161.04431	2.6
161.09654	1.8
165.01830	6.7
165.12935	1.4
175.07585	1.6
177.09128	16.9
177.12759	2.0
178.09491	1.9
179.10699	1.5
188.07179	1.3
190.99818	5.1
193.08641	4.2
206.02113	4.1
206.09433	2.1
221.04533	3.8
221.08195	30.8
221.11761	16.6
221.15331	3.7
222.08792	3.3
222.12108	1.6
231.30174	1.4
235.59508	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	0.4
57.78966	0.1
59.01250	1.9
65.01314	0.2
68.23585	0.1
69.03300	0.2
70.42510	0.2
71.01257	0.3
73.02793	0.2
73.31849	0.2
79.95602	24.4
80.95522	0.2
80.96403	0.3
85.02806	0.2
91.02885	0.2
96.00746	0.2
98.19800	0.3
98.20457	0.5
101.02292	0.2
109.03927	0.2
119.08533	0.2
156.05670	0.3
157.06496	28.8
158.06831	2.5
161.09563	0.2
171.16492	0.2
177.12741	0.6
195.06715	0.2
206.02043	0.4
206.09427	0.3
221.02721	100.0
221.11671	1.3
222.03047	9.0
222.07671	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.066
Annotation	6-Acetyl-D-glucose
Peak:m/z	Relative Intensity
57.03321	8.2
58.67477	5.0
59.01245	100.0
68.99700	5.7
69.03352	8.6
71.01253	58.3
71.44994	5.4
71.45325	9.4
72.99165	35.8
73.02827	18.0
75.00744	12.5
85.02833	22.1
87.00750	45.4
87.04440	4.8
88.05024	4.7
89.02327	13.4
95.01331	5.5
97.02836	11.1
99.00740	15.8
101.02308	31.4
102.01830	8.2
103.00249	55.4
113.02319	19.9
115.00234	13.4
117.01833	13.4
127.00248	6.4
129.01849	7.2
130.21167	5.3
131.03400	12.5
133.01305	12.3
141.01794	17.5
143.91397	5.7
149.84480	4.8
158.53830	4.6
161.04356	7.9
190.99759	6.6
191.21223	5.0
203.01939	8.8
206.02130	9.8
206.09480	5.0
210.43059	5.6
217.24741	5.5
221.02971	19.7
221.06631	16.1
221.11819	12.9
221.15265	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	220.1008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91288	0.8
56.77012	0.8
59.01250	5.1
69.53580	6.2
80.96426	1.9
87.02625	2.4
98.19889	1.9
100.93881	0.8
131.05215	1.4
133.06824	100.0
134.06104	0.9
134.07150	4.4
139.39223	0.8
206.02144	0.9
220.06052	0.9
220.10121	3.3
220.14635	4.5
220.17839	1.5
221.11873	1.7
221.15190	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.8
59.01250	5.0
65.96606	0.3
69.43509	1.1
69.43934	1.7
71.01249	2.2
73.02824	1.3
75.37505	0.3
79.95601	22.7
83.01231	0.4
85.02837	0.7
89.02309	0.4
89.18494	0.3
95.13972	0.3
101.02327	1.0
112.00540	0.3
113.02349	1.0
131.24971	0.4
140.03883	0.3
156.05702	0.5
157.06494	28.2
158.06830	2.1
161.09642	0.6
177.12802	0.8
203.10738	0.3
206.01974	0.5
206.09473	0.5
221.02724	100.0
221.11913	2.1
221.15257	0.6
222.03029	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	220.0612
Annotation	Hyrtioerectine C
Peak:m/z	Relative Intensity
53.34567	2.2
59.01237	9.9
65.65635	2.5
65.99704	2.8
66.03346	3.1
69.70862	4.4
69.71272	11.8
71.01237	5.4
72.99183	76.5
74.48702	2.5
77.91606	2.3
80.47604	2.4
82.02832	2.8
82.03959	3.7
84.56511	2.4
90.33978	2.7
91.05415	3.8
93.03331	4.2
94.02853	2.8
98.02357	6.0
107.04915	9.5
109.02841	3.3
115.96687	2.5
117.03357	4.0
119.04886	7.3
121.02844	19.9
121.03626	3.0
122.03414	2.7
124.03922	12.2
132.04433	9.8
133.06487	2.6
134.03700	11.6
134.06017	83.5
135.04419	74.3
135.06363	3.1
144.04451	14.5
146.06044	2.6
147.04430	63.7
148.04970	3.4
149.05983	10.1
158.06036	29.1
176.07082	15.4
178.05006	33.2
179.03360	12.2
179.05603	2.7
190.05035	8.3
190.80974	2.5
190.99774	9.4
202.05037	10.3
203.10559	3.4
205.12350	13.7
206.02116	11.7
219.17508	4.2
220.06097	100.0
220.14633	51.4
220.17844	37.6
221.04544	5.0
221.06462	9.4
221.11853	5.0
221.15105	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	220.0611
Annotation	Hyrtioerectine C
Peak:m/z	Relative Intensity
50.34627	1.1
51.55182	1.2
54.38473	1.2
59.01243	3.8
64.27010	1.4
65.00176	1.1
65.99725	2.2
68.77828	1.1
70.73271	4.4
71.01249	3.0
72.42570	1.3
72.99184	81.6
82.03997	1.6
88.40952	1.1
91.05413	3.5
93.03321	5.1
98.02374	6.0
107.04285	1.3
107.04909	9.1
109.02849	2.9
117.03334	3.5
119.04950	7.4
120.05283	1.8
121.02857	15.8
121.06461	1.6
127.24448	1.5
132.04446	1.3
133.02788	1.4
133.05197	1.4
133.06656	1.6
134.03676	11.0
134.06017	79.0
135.04422	67.2
135.06364	2.0
136.04770	3.1
144.04459	11.5
147.04416	69.7
148.03764	1.6
148.04924	4.0
149.05984	7.5
150.05547	1.5
158.06032	25.2
160.03900	3.1
163.00200	1.5
174.05524	3.6
175.03885	2.6
176.07063	13.4
177.05385	1.8
178.05013	36.2
179.03416	11.8
179.05125	3.0
190.05887	6.4
190.99727	10.1
194.57790	1.3
202.05061	8.8
203.05177	1.4
205.12288	5.9
206.02171	10.5
212.40010	1.4
219.17525	3.9
220.06099	100.0
220.14648	24.6
220.17859	18.6
221.04440	3.9
221.06454	5.7
221.11823	2.1
221.15149	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	219.1386
Annotation	Oblongolide
Peak:m/z	Relative Intensity
59.01245	3.4
61.01659	0.9
61.98692	3.0
65.01331	0.5
65.14335	0.6
70.17417	1.1
70.17830	1.9
70.27235	0.5
73.98839	0.5
75.00758	0.7
79.05386	0.6
83.04918	1.2
98.19852	0.6
109.02886	0.6
111.04426	4.3
119.08550	0.8
121.06489	0.6
122.03568	0.8
125.05994	2.1
135.08083	1.0
136.05150	0.7
147.04404	1.3
147.08089	0.8
148.05168	2.9
149.09676	0.7
159.08072	0.6
161.05983	0.7
161.09616	2.8
163.07532	2.7
164.08429	0.6
170.05855	0.9
175.04048	0.8
175.07613	0.9
175.11201	2.3
177.07825	0.9
177.12758	0.7
179.10707	0.6
186.10414	0.9
188.08351	1.2
189.05542	1.5
189.09155	3.1
189.12775	1.0
201.12776	9.6
202.13164	1.3
203.10704	8.9
203.12442	0.7
204.07889	1.8
204.11501	26.9
205.11865	2.9
210.62682	0.6
218.96220	0.8
219.02901	1.2
219.06738	1.5
219.10370	3.1
219.13914	78.9
219.17458	100.0
220.14314	7.5
220.17770	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	220.061
Annotation	Hyrtioerectine C
Peak:m/z	Relative Intensity
52.26046	1.1
59.01250	8.3
65.48246	0.9
65.99721	1.3
66.03357	2.1
68.01286	1.2
69.64070	6.1
71.01261	8.0
71.90475	1.0
72.99179	76.3
73.02795	1.1
75.00757	2.2
79.95596	1.3
80.96397	2.6
82.03964	2.6
85.02831	1.1
91.05410	2.3
93.03340	3.5
95.02424	1.1
98.02363	6.1
103.04470	1.0
105.03339	1.1
106.04021	2.0
107.04922	9.3
109.02856	2.5
117.03320	6.0
119.04916	7.6
121.02843	20.5
121.03704	0.7
121.09155	1.0
123.04378	2.1
131.04919	1.5
132.04417	1.9
133.03893	1.2
133.05313	1.0
133.06700	4.9
134.03694	11.4
134.06015	100.0
135.04417	66.0
135.06279	8.0
136.04791	4.7
144.04431	10.9
147.04416	61.6
148.04878	3.1
149.06001	6.2
150.05513	1.2
158.06024	26.0
160.03928	2.5
161.04546	1.1
161.09705	1.1
162.06755	1.0
174.05501	3.5
175.03966	2.2
176.07115	13.4
177.05518	1.5
177.07526	1.7
178.05006	44.6
179.03412	10.7
179.05354	2.8
190.05821	1.4
190.99686	1.0
192.06662	1.6
202.05057	9.9
205.12224	2.5
220.06105	98.9
220.14713	5.4
220.17798	3.2
221.04506	1.2
221.06433	7.7
221.11826	3.2
221.15202	1.7
228.76266	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	219.1021
Annotation	Sohirnone A
Peak:m/z	Relative Intensity
52.63196	0.5
55.01754	0.7
57.03327	0.9
59.01248	2.3
61.98700	1.6
63.96107	3.7
64.58437	0.5
65.01318	0.6
65.99718	1.2
71.01251	1.3
75.00751	1.1
79.95604	0.7
80.02525	0.6
80.96382	4.0
81.03351	0.5
82.02847	0.7
82.03960	1.2
83.02386	0.6
83.04905	1.9
84.02042	15.8
85.06464	3.7
93.03335	100.0
94.03680	4.1
95.04899	17.5
97.02834	0.7
97.06458	1.4
98.19768	1.8
98.20477	3.2
99.28419	0.6
107.04906	1.6
109.02829	1.2
109.03935	0.7
110.03608	1.1
111.04420	1.8
112.05189	13.0
113.05257	1.0
113.05980	13.5
118.03974	0.6
119.04896	1.6
121.02825	0.8
123.04385	0.6
125.05978	5.6
125.95908	0.5
131.04985	0.8
132.05603	1.0
133.02834	1.7
133.03912	0.6
134.03600	1.2
135.04468	1.0
137.00549	1.6
147.04457	1.2
148.05144	1.0
150.06633	0.6
159.04449	0.7
160.05295	0.6
161.05992	1.2
163.07541	1.5
175.03819	0.6
175.07637	0.7
176.04674	1.8
190.30283	0.6
192.07832	0.7
201.09171	1.4
204.04288	0.7
219.02925	0.7
219.06831	0.8
219.10237	13.0
219.12146	1.0
219.13837	0.9
219.17502	10.1
220.01913	1.7
220.05980	0.9
220.10588	1.5
220.17802	0.9
230.22934	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1021
Annotation	Precocene II
Peak:m/z	Relative Intensity
54.76673	0.3
59.01254	3.0
61.98697	3.0
64.49039	0.3
66.74410	0.3
68.02396	0.5
70.49396	1.0
92.02579	0.7
93.03329	100.0
94.03667	4.0
95.01261	2.7
97.61879	0.4
98.20323	0.6
108.02020	3.1
121.02831	0.4
136.01573	4.4
137.02335	87.1
138.02667	5.1
160.84106	0.5
174.96887	1.3
217.91870	0.4
219.10202	52.9
219.17438	6.5
220.10513	5.6
220.17914	0.6
238.95328	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0771
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
71.01174	1.6
71.04399	1.3
71.04718	3.3
72.00782	13.0
73.22816	1.6
74.02344	24.7
75.00727	1.4
77.06424	1.3
80.96394	12.6
86.02340	7.0
92.04906	2.0
99.93760	1.3
116.04987	2.1
117.42634	1.5
118.62845	1.3
120.63397	1.4
130.06589	2.9
131.03630	5.4
132.04454	78.5
133.04819	4.3
137.00580	4.9
144.04462	46.0
146.06039	3.1
148.05199	2.8
148.07631	1.8
157.07629	19.7
158.06033	18.2
159.06316	1.7
175.08708	28.5
182.43967	1.4
201.06688	2.1
203.02641	1.3
205.12273	5.0
219.07738	66.8
219.17502	100.0
220.07935	3.7
220.14627	17.8
220.17793	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	218.9786
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96104	0.5
70.09103	0.5
70.09514	0.8
79.95604	6.2
80.02222	0.2
80.96388	100.0
81.96338	0.6
83.19675	0.2
111.92825	1.2
121.02817	0.5
137.00562	46.6
138.00909	2.5
139.02129	12.5
140.02414	0.4
218.13785	0.2
218.97858	13.3
219.17482	0.2
219.98167	0.9
221.37585	0.2
236.98894	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.9786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20286	0.6
50.76997	0.7
51.44486	0.7
63.96088	1.0
69.81818	3.1
70.72196	0.7
79.95600	6.8
80.96390	100.0
97.88457	0.7
98.20445	1.2
111.92841	1.1
137.00562	49.2
138.00885	2.4
139.02135	13.2
140.02448	1.2
140.25294	0.8
218.97868	11.7
233.57344	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.9785
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.2
63.96099	0.9
71.01249	0.3
71.04865	0.2
71.56921	0.2
71.57372	0.2
73.67818	0.2
75.00738	0.2
79.95603	7.4
80.96389	100.0
81.96334	0.7
85.08914	0.2
88.03922	1.1
89.04252	0.4
93.03312	0.2
99.00765	0.2
106.04112	0.4
111.92837	1.2
115.00182	0.2
121.02847	0.7
125.02273	0.2
136.24698	0.2
137.00562	47.4
138.00912	2.5
139.02127	13.2
140.02448	0.8
146.08131	0.4
147.08423	0.4
168.15001	0.1
175.04018	0.2
201.35854	0.2
218.97855	15.4
219.10538	0.7
219.17505	0.7
219.98183	1.0
220.02739	0.2
220.14650	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1029
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
53.55656	1.3
59.01235	1.6
69.76678	1.2
70.00182	3.9
70.00603	2.9
71.01258	11.5
71.04895	16.3
85.69434	1.2
88.03915	100.0
89.04247	1.5
99.04395	5.7
116.07077	3.3
136.05200	1.3
146.08127	53.6
147.08427	2.0
151.76297	1.2
218.08208	1.3
218.10254	17.8
219.10571	2.3
219.17491	41.5
221.01627	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1029
Annotation	Pantothenic Acid
Peak:m/z	Relative Intensity
52.91953	0.5
59.01245	2.7
71.01257	14.5
71.04896	16.9
71.56802	1.1
72.00794	0.8
72.04442	0.7
75.37744	0.7
80.96394	2.3
88.03922	100.0
88.12513	0.6
89.04263	2.0
94.89669	0.6
99.04401	7.6
116.07059	3.1
129.05469	2.0
146.08141	53.3
147.08464	1.8
149.52032	0.6
218.10295	17.6
219.10558	1.0
219.17514	6.5
230.64005	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0502
Annotation	Eleutherolic acid
Peak:m/z	Relative Intensity
59.01252	18.3
60.01585	0.3
65.01325	0.2
65.69096	0.2
66.00835	0.2
70.20703	0.1
70.96932	0.5
90.30486	0.2
115.05437	0.4
117.03342	0.2
118.96487	0.2
121.04028	0.2
123.74995	0.1
126.44875	0.1
132.98068	0.7
143.04932	100.0
144.05272	5.6
145.06500	0.2
148.04893	0.2
155.83574	0.2
173.06004	1.1
174.06718	0.2
174.99176	5.3
190.06044	0.2
191.07143	0.2
217.00235	3.8
217.05016	9.2
217.13074	0.2
217.14601	0.2
218.05280	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1077
Annotation	3-Hydroxysebacic acid
Peak:m/z	Relative Intensity
57.03323	1.3
59.01251	57.0
60.01580	1.0
65.01296	1.3
65.99700	0.7
68.01283	0.6
71.06026	1.5
85.02773	0.8
87.00732	0.9
90.97025	0.8
91.02865	0.7
99.64985	0.7
106.04004	0.9
120.96248	0.6
125.09599	1.8
127.00492	0.6
127.11189	3.5
130.04117	1.1
132.98079	1.3
133.03975	1.3
133.05090	1.1
134.03479	1.0
137.09613	2.6
145.02855	1.4
147.04419	1.1
148.05074	1.5
153.09071	1.1
155.10686	38.7
156.10968	1.4
158.03583	0.8
160.05080	0.9
161.02338	1.0
161.06007	1.9
171.10184	54.9
172.10587	3.7
173.02348	0.9
173.05859	0.9
174.99161	14.2
175.03764	0.7
175.06169	1.1
176.04610	0.8
181.08653	1.2
189.05429	1.8
190.06133	2.1
199.09697	6.5
200.10013	0.7
217.00200	10.2
217.05264	5.0
217.10757	100.0
218.04820	0.8
218.11131	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	215.1647
Annotation	12-Hydroxydodecanoic acid
Peak:m/z	Relative Intensity
51.60270	0.2
59.01255	0.3
66.03342	0.6
67.03681	0.4
67.52928	0.2
73.84171	0.2
81.04446	0.2
91.56760	0.2
125.09585	1.1
126.90329	0.2
133.04948	0.4
139.11189	2.7
144.00816	2.8
160.79745	0.2
167.14331	0.4
169.15903	4.6
170.16203	0.4
171.01883	0.3
171.10168	0.2
172.00281	0.4
174.06441	0.2
183.10210	0.7
184.29248	0.2
197.11682	0.2
197.15398	2.2
198.15761	0.3
201.11275	0.7
213.14873	0.8
215.00938	18.7
215.16464	100.0
216.01317	1.5
216.13376	0.3
216.16800	9.2
223.87282	0.2
230.07649	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20564	1.6
52.02415	1.7
52.57034	1.8
57.84332	2.4
58.02868	2.1
58.09500	1.7
59.01253	2.2
63.11312	1.7
66.29234	1.8
69.44527	7.8
69.44939	7.1
72.00787	3.9
74.02351	11.6
82.02851	9.4
84.04417	18.7
86.02347	6.9
111.53880	2.0
128.03413	18.7
128.10693	6.5
133.72948	1.9
141.10223	5.2
142.12267	2.3
144.00821	9.2
154.12265	2.4
167.11810	5.2
169.13390	6.6
171.01941	3.4
171.14983	10.5
172.15257	2.5
197.12895	72.1
198.13243	4.4
215.00928	52.0
215.13980	100.0
216.01268	4.6
216.14268	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	215.1284
Annotation	UNDECANEDIOIC ACID
Peak:m/z	Relative Intensity
51.08562	0.5
52.89082	0.5
53.99671	0.5
57.03320	1.2
57.16078	0.6
59.01238	1.3
64.47028	0.6
65.01312	0.7
70.07909	3.0
71.01253	1.6
71.04895	1.0
72.02037	0.8
73.02831	1.1
73.47918	0.5
82.16660	0.5
105.04372	0.7
125.09619	2.6
126.97891	0.5
127.11163	3.1
139.11186	0.6
141.12753	1.4
143.10645	0.8
144.00800	5.3
153.09105	0.6
153.12712	1.4
155.10675	1.7
166.86316	0.5
169.12251	1.0
171.10188	14.5
179.10683	2.0
185.11784	1.6
187.03935	0.5
188.04495	0.8
197.11740	7.2
204.05569	0.5
213.11273	6.9
215.00932	31.5
215.12837	100.0
216.01277	2.4
216.13184	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	215.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72650	1.6
54.08587	1.8
55.44169	1.8
58.02821	2.4
59.01229	2.7
61.25589	1.8
61.72993	1.6
69.83445	10.6
71.01257	2.0
73.54318	1.5
74.02326	5.8
82.02866	5.7
82.96840	1.5
84.04424	11.4
128.03421	8.0
141.10216	4.3
144.00827	19.0
161.23137	1.6
167.11859	3.2
169.13365	3.3
171.01889	2.6
171.14946	6.4
172.00374	2.2
173.41331	2.2
186.28008	1.6
197.12904	37.6
198.13249	3.2
199.49660	2.0
208.13057	1.7
215.00932	100.0
215.09259	3.9
215.14023	39.5
215.16261	3.0
216.01247	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	213.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.6
59.01255	1.3
59.10540	0.5
65.01340	0.6
69.25037	5.8
70.97207	0.5
71.01286	0.7
98.19785	1.3
109.04049	0.5
125.09623	1.0
151.11171	1.6
155.10719	0.6
163.96036	0.5
169.12250	5.2
171.06680	0.7
183.13837	29.8
184.14194	1.6
185.11769	1.4
187.06197	0.7
195.12035	1.2
195.13837	22.4
196.14182	1.8
211.13358	0.7
213.03491	0.6
213.11391	3.6
213.14914	100.0
214.07083	0.7
214.15256	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	215.0921
Annotation	Isoketocamphoric acid
Peak:m/z	Relative Intensity
55.19778	1.5
59.01251	3.0
65.01318	2.5
65.99716	2.6
71.16700	3.9
78.89585	1.9
84.04404	1.8
90.17767	1.6
97.06490	2.1
98.90635	1.5
119.02380	2.2
125.09611	5.0
127.11179	2.7
138.78909	1.5
143.10672	4.0
144.00853	17.6
145.03966	1.9
153.09192	2.1
161.08340	1.7
171.01889	1.8
171.08749	3.5
171.10190	65.4
188.04564	2.9
197.07886	1.7
215.00928	100.0
215.07315	3.1
215.09184	35.4
215.12802	5.6
215.99371	2.2
216.01227	7.6
216.09358	2.6
218.47519	1.7
236.50990	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	215.1284
Annotation	UNDECANEDIOIC ACID
Peak:m/z	Relative Intensity
53.72095	0.3
57.03309	1.4
65.01329	0.2
69.03330	0.3
69.62041	1.8
71.04931	0.4
74.22160	0.2
78.76954	0.2
84.46779	0.2
93.99126	0.2
98.19807	0.5
99.12374	0.2
106.03970	0.3
125.09595	1.2
144.00809	0.8
147.06673	0.3
151.11201	0.9
153.12758	49.3
154.13097	3.6
171.13829	0.9
172.05188	0.6
197.11761	35.5
198.12108	3.3
200.04716	7.1
201.05142	0.4
215.00964	7.5
215.07111	19.4
215.12820	100.0
216.01251	0.9
216.07446	2.1
216.13147	9.4
232.03677	2.2
233.04047	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1492
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
50.26635	0.7
58.00452	0.7
65.91979	0.8
69.46062	7.0
98.20530	1.4
111.01937	0.8
129.95842	0.8
165.47137	0.8
183.13838	26.2
184.14214	1.4
195.13847	23.9
196.14119	1.6
213.14914	100.0
214.15240	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	213.149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96237	0.4
69.46494	2.2
91.61742	0.3
99.99494	0.3
105.08606	0.3
137.09598	0.4
142.88585	0.3
143.60097	0.3
167.14313	1.3
177.12766	0.5
183.13838	6.0
184.14131	0.6
195.13843	17.0
196.14178	1.6
211.13364	1.5
213.14903	100.0
214.15251	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	213.1491
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
57.03330	1.1
59.01239	1.1
65.01300	0.8
65.47952	0.4
70.02315	0.4
71.57793	0.8
74.80981	0.3
78.95759	0.4
82.78387	0.3
83.04907	0.6
91.22619	0.4
97.06420	0.6
106.03990	0.6
123.05499	0.4
125.09629	2.1
130.03966	0.5
135.56206	0.3
142.70921	0.4
151.11185	0.7
152.56944	0.4
169.12236	2.4
172.06216	0.7
177.12724	0.5
183.13834	29.9
184.14185	2.1
185.11772	1.4
195.10187	0.9
195.13852	24.0
196.14159	2.2
211.13391	0.8
212.92755	1.0
213.11409	4.1
213.14917	100.0
214.07256	0.4
214.15279	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	213.1128
Annotation	(-)-Pestalotin
Peak:m/z	Relative Intensity
54.87912	0.7
57.03326	0.8
58.02860	1.0
58.89003	0.7
59.01243	1.8
65.01319	2.0
68.99683	2.0
69.47437	3.7
69.47854	2.2
71.01245	2.6
73.02795	0.7
76.07303	0.6
78.90763	0.7
78.95775	1.2
79.95604	1.6
81.03319	0.7
83.04897	1.5
83.25169	0.6
87.18049	0.8
95.85306	0.6
97.06449	0.9
98.19888	1.5
100.78915	0.7
104.40013	0.7
106.03981	1.1
120.05650	0.7
125.09617	3.2
127.11147	0.9
130.04036	1.2
131.04472	1.0
132.05542	1.4
137.09712	0.7
139.11171	2.1
141.03372	0.9
141.12793	2.4
144.04282	0.8
144.05568	0.9
145.03964	0.9
151.11201	3.2
155.10728	1.1
159.05457	0.8
160.05025	0.9
167.10747	3.6
169.12262	3.2
171.06706	1.5
172.05038	0.9
173.04591	1.0
179.71793	0.9
183.13847	1.9
185.11766	91.1
186.06528	1.6
186.08003	1.1
186.12117	5.2
187.06111	2.6
195.10210	16.9
195.13847	2.3
196.10614	1.1
197.99103	1.0
213.01225	1.9
213.03578	1.4
213.05626	11.3
213.11284	100.0
213.14642	15.2
213.18517	2.7
214.01317	1.2
214.07259	1.3
214.11632	5.1
218.41521	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1491
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
50.69173	0.5
52.45570	0.5
59.01255	1.9
59.76374	0.5
69.37327	5.1
70.99011	0.5
71.01268	0.7
77.70208	0.5
78.95776	0.6
85.06496	0.6
109.07610	0.5
111.04359	0.5
113.26922	0.5
123.05555	0.8
151.11278	0.9
167.14388	1.0
169.12254	2.0
169.15901	1.2
170.08371	0.6
183.13820	4.5
184.14107	0.7
194.99332	0.9
195.10234	1.2
195.13849	8.5
196.14008	0.6
197.99002	0.8
213.01875	0.8
213.11461	2.4
213.14917	100.0
213.18428	3.3
214.01463	0.8
214.15247	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	213.1126
Annotation	(-)-Pestalotin
Peak:m/z	Relative Intensity
54.72429	0.5
56.02920	0.5
56.15582	0.4
56.85720	0.4
57.03325	4.9
59.01246	1.3
61.57012	0.4
65.01304	1.1
69.03323	0.8
69.71745	3.1
79.95609	1.0
83.04887	1.5
85.06416	0.6
95.04915	0.6
97.06519	0.6
98.20544	0.5
100.92059	0.4
106.03992	0.5
109.06439	0.8
111.04362	0.5
111.08042	9.1
111.16717	0.5
119.02411	0.6
119.08555	0.5
121.06522	0.6
123.08046	46.5
124.08392	3.2
125.09608	5.3
130.04021	0.5
134.03511	0.6
137.09625	11.0
139.11189	72.1
140.11531	5.3
145.05005	0.8
149.09607	0.6
149.71838	0.5
151.11197	10.6
152.11546	0.7
153.09143	1.6
155.10594	0.4
155.61417	0.4
160.05168	0.4
167.10635	2.3
169.12277	6.8
171.06680	0.7
172.06252	0.6
173.04701	0.6
183.13750	0.7
185.11737	1.2
187.06221	1.0
213.01170	0.9
213.06035	2.0
213.11267	100.0
214.07492	0.6
214.11586	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	213.1127
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
50.00144	0.3
52.71486	0.3
57.03310	0.5
61.45403	0.3
62.96083	0.3
63.13214	0.3
69.03339	0.4
71.13361	0.7
97.06471	0.6
116.07079	0.5
141.68034	0.4
144.24535	0.4
151.11191	13.7
152.11484	1.2
169.12254	100.0
170.12601	7.1
195.10133	0.4
213.11261	12.6
213.14867	0.7
214.11548	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60970	0.3
56.73870	0.4
57.03323	0.3
59.01262	0.4
69.03314	0.4
71.39113	0.3
78.68738	0.3
90.47005	0.3
97.06500	0.8
98.20548	0.8
107.64511	0.3
115.47280	0.4
126.78782	0.3
127.89277	0.3
139.95764	0.4
149.09654	0.3
151.11188	13.6
152.11504	1.0
169.12253	100.0
170.12607	7.2
185.11845	0.3
195.10233	0.8
213.11266	16.6
214.11522	1.6
225.59860	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1334
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
54.73222	0.5
59.01249	1.0
69.03329	1.3
71.38290	1.0
79.91584	0.5
104.66544	0.4
121.61876	0.4
124.01578	0.5
155.10638	0.7
164.96860	0.5
165.12781	0.6
167.10661	0.6
167.14369	2.3
170.59399	0.4
183.13837	15.6
184.14153	0.8
185.26689	0.5
193.12248	4.3
210.92987	9.4
211.13348	100.0
212.13655	6.0
225.68556	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85949	0.4
59.00992	0.4
59.01240	2.4
60.99155	0.8
69.03313	0.7
69.42467	3.2
69.68619	0.3
81.03316	0.5
83.04885	0.9
86.20190	0.4
93.03319	0.4
97.06467	2.2
103.14020	0.4
107.47901	0.4
111.07998	0.6
123.04446	0.4
139.07549	0.6
139.11206	0.4
149.13229	1.5
157.05013	0.5
165.12721	1.3
166.53484	0.4
166.90947	0.6
167.10774	0.5
167.14331	3.5
170.20654	0.4
175.11212	0.4
183.01103	0.4
183.13828	7.6
184.06076	0.4
184.14105	0.4
185.04704	0.4
193.12257	5.7
209.11761	0.9
211.13338	100.0
212.13693	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	211.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03312	0.7
69.36671	3.6
76.61333	0.4
79.24391	0.4
83.04893	0.4
98.20145	2.0
155.10725	0.5
165.12732	0.9
167.10721	0.5
167.14314	1.2
183.13838	13.1
184.14145	1.2
193.12245	3.4
210.48758	0.5
211.13330	100.0
212.13698	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	211.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02272	0.6
59.01249	1.2
62.10607	0.7
62.36823	0.6
67.01760	1.0
69.03320	0.6
70.93280	0.7
70.93629	1.5
93.47820	0.7
96.81589	0.6
121.38698	0.8
125.09621	0.8
128.79103	0.8
148.07271	0.6
167.10719	1.3
167.14320	3.5
183.13849	14.3
193.12253	2.9
211.13344	100.0
212.13736	5.9
224.87117	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98022	0.5
59.09550	0.5
69.03320	0.7
70.09040	2.4
83.04900	0.7
108.76244	0.5
128.57306	0.6
131.84648	0.5
165.12860	0.6
166.90973	0.7
167.10640	1.3
167.14340	2.1
183.13846	16.3
184.10527	0.6
184.14229	1.0
187.16312	0.6
193.12260	3.7
209.25363	0.6
211.13348	100.0
212.13702	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	209.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05808	0.3
59.01243	0.7
70.87624	0.9
83.04867	0.4
98.37383	0.4
121.02847	7.9
122.03151	0.5
123.12413	0.4
124.03957	1.2
147.34250	0.4
165.12793	0.5
170.18344	0.4
175.01335	0.4
179.70206	0.4
181.12221	0.5
209.11771	100.0
210.12108	8.9
210.13960	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95780	0.4
54.51527	0.5
57.03313	2.4
59.01253	100.0
60.01578	1.3
66.00479	0.5
69.54115	3.6
80.02558	1.2
81.03344	2.2
83.04906	0.5
85.02834	1.0
94.02876	1.0
97.06467	1.1
109.06486	4.7
117.43567	0.5
121.02848	13.8
124.03967	1.7
150.03017	0.5
163.11223	0.7
165.12750	5.9
187.62465	0.5
209.04518	1.8
209.11775	14.7
210.12151	1.1
211.16403	0.5
221.62193	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.1
59.01260	2.4
69.03337	1.2
70.64135	1.1
70.64508	1.0
70.67229	0.5
71.01253	1.0
80.02557	2.9
81.03320	2.6
83.04903	8.9
85.02837	2.3
91.01785	0.7
93.03347	1.0
94.02871	1.1
95.04910	1.2
95.47253	0.6
97.06483	0.5
120.02090	0.7
121.02851	44.8
122.03203	1.5
124.03950	3.1
125.02316	0.5
125.05968	1.0
129.01793	0.8
135.08043	1.5
136.01538	0.8
158.78006	0.5
160.06122	0.5
163.11215	7.7
164.11545	0.7
165.12764	4.0
179.03415	0.5
181.12245	1.3
183.06717	1.4
183.45302	0.6
188.49867	0.5
191.10725	2.2
194.02209	0.7
209.00989	0.8
209.04556	4.4
209.11786	100.0
210.04874	0.6
210.06793	0.6
210.07857	0.5
210.12149	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	211.076
Annotation	Anthracene-9,10-dihydrodiol
Peak:m/z	Relative Intensity
58.69699	0.4
59.01229	0.5
67.06012	0.4
68.12198	0.4
69.54074	0.4
71.57195	0.7
71.57579	0.4
75.13797	0.3
78.95763	0.8
89.01324	0.4
93.03334	2.3
95.04929	1.0
106.03976	0.4
116.02428	0.5
121.02832	0.6
123.04407	1.2
143.80777	0.4
147.57321	0.4
156.05609	0.5
157.05110	0.9
158.03600	0.5
167.10654	0.6
169.06499	0.9
173.89032	0.4
182.07382	0.8
183.08084	1.1
183.13747	0.8
184.05067	1.1
193.06499	0.6
196.03740	0.5
209.05981	1.9
210.06812	35.4
211.07587	100.0
211.13242	6.9
212.05856	0.5
212.07898	9.2
212.09749	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79010	0.4
58.07159	0.4
65.47345	0.4
69.03312	1.1
70.01424	0.8
70.01816	1.0
77.71159	0.4
82.90156	0.4
83.04893	0.6
85.23397	0.4
90.17269	0.4
98.20482	0.5
131.32935	0.4
155.10634	0.5
165.12724	0.6
167.10678	1.0
167.14281	1.1
181.12335	0.5
183.13820	14.9
184.14113	1.0
193.12248	3.5
194.12708	0.5
203.61453	0.4
211.13329	100.0
212.13672	8.7
231.43344	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1177
Annotation	(+)-Epijasmonic acid
Peak:m/z	Relative Intensity
57.03324	7.6
58.00449	0.5
59.01249	8.5
60.49276	0.6
69.03328	2.1
69.29784	4.9
69.30199	1.1
69.30698	0.4
71.01254	15.1
71.04884	1.1
71.53835	0.4
73.02813	1.5
80.02547	2.2
81.03302	2.6
82.02765	0.5
83.01247	1.5
83.04900	5.7
84.02047	1.6
84.05185	0.5
85.02827	2.1
91.01747	0.7
93.03338	1.6
94.02880	1.6
95.04919	4.1
97.02802	0.9
97.06474	4.8
98.19836	1.3
106.04147	0.7
107.04942	1.0
108.02060	1.0
109.06473	1.6
111.08049	2.4
112.01519	0.5
116.85329	0.6
121.02848	34.8
122.03151	1.4
123.08057	1.5
124.03934	5.9
125.02367	0.7
125.09635	5.2
134.03641	1.3
134.56964	0.5
135.04396	0.9
135.08049	1.5
137.09590	1.0
144.00539	1.1
145.10120	2.3
147.11734	1.9
147.97496	0.5
149.09671	1.2
151.07631	0.7
151.11197	23.8
152.11563	1.9
153.09116	0.9
153.12753	3.2
154.10648	0.5
161.09616	1.3
163.09987	0.6
163.11218	7.5
164.11624	0.6
164.94041	2.6
165.09174	0.9
165.12772	21.4
166.13081	1.6
167.07108	0.7
167.10718	1.0
173.09659	2.2
179.10721	4.8
180.11066	0.6
181.12267	27.1
182.12602	2.2
183.52089	0.5
191.10719	13.9
192.11076	0.9
194.02032	0.6
194.05751	0.7
209.04573	4.6
209.11774	100.0
210.12123	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	209.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49611	0.4
59.01244	0.7
67.80413	0.3
69.24369	0.7
69.24767	4.0
71.01229	0.4
74.21400	0.3
80.02546	2.8
81.03336	2.1
83.04901	9.6
86.68154	0.4
91.72591	0.3
93.03337	0.4
95.04888	1.1
95.48325	0.4
97.02788	0.3
109.06470	0.8
121.02850	5.5
124.03951	1.0
125.05972	0.8
133.23682	0.4
135.08044	1.2
147.11754	0.5
156.65614	0.4
163.11209	8.3
164.11528	0.5
165.12775	4.7
168.89919	0.3
181.12273	1.3
191.10596	1.7
209.11774	100.0
210.12132	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	209.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19150	0.8
57.03317	2.2
59.01252	100.0
60.01579	1.2
69.40412	7.3
81.03330	1.0
83.04901	0.9
95.04850	0.8
97.06480	1.8
106.23805	0.8
109.06472	3.4
121.02837	5.9
124.03951	1.9
127.97952	0.7
159.10699	0.8
165.12711	4.1
166.76233	0.9
177.48387	0.9
208.93254	10.5
209.04362	1.0
209.09831	0.7
209.11751	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	209.1177
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
54.09497	0.4
54.63807	0.5
55.01751	3.0
57.03326	2.9
59.01241	1.7
59.39174	0.4
68.99685	0.4
69.03319	1.2
70.46490	0.4
71.01249	4.4
71.04896	0.8
77.85369	0.4
80.02547	1.2
81.03328	4.5
83.01257	22.9
83.04895	4.1
84.01599	0.5
84.02055	1.1
85.02816	1.2
87.93359	0.4
93.03367	0.7
94.02850	0.5
95.04885	1.9
97.02830	0.7
97.06474	4.9
109.06464	0.8
111.08051	1.0
113.92184	0.4
121.02840	16.2
122.03155	0.6
123.08054	2.4
124.03933	2.3
125.09608	21.1
126.09925	1.1
133.41571	0.4
135.08031	2.4
145.10077	0.8
147.11694	1.7
151.11209	4.8
152.11473	0.5
153.12737	0.8
163.09819	0.6
163.11192	10.8
164.11519	1.1
164.94029	0.8
165.12759	7.1
167.10626	0.9
173.09682	1.0
179.10750	0.6
181.12263	8.3
182.12547	1.0
191.10716	9.9
192.10968	0.7
194.02309	0.4
209.04611	2.0
209.11765	100.0
210.10281	0.8
210.12123	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	209.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	7.1
58.00454	0.9
59.01240	3.0
64.49710	0.8
69.03328	3.0
69.83077	0.7
71.01253	18.4
71.02776	1.5
71.04886	1.5
73.02821	1.7
75.28680	0.7
80.02542	1.8
80.75546	0.6
81.03332	2.4
83.01263	4.1
83.04902	4.6
84.02029	1.7
85.02834	2.1
90.35231	0.7
93.03327	1.5
94.02843	0.9
95.04914	3.2
97.06467	5.0
106.04090	0.8
107.04915	1.0
108.02022	0.9
109.06477	1.1
111.08035	4.4
112.01515	0.9
115.94282	0.6
121.02847	16.5
122.03193	0.9
123.08070	1.7
124.03903	2.3
125.09608	8.6
134.03603	1.3
135.08038	1.7
137.09624	1.1
145.10164	2.3
147.08110	0.8
147.11699	2.9
149.09592	1.4
151.11186	27.3
152.11487	1.9
153.09070	0.8
153.12740	3.9
161.09685	1.4
163.11198	8.6
164.11490	0.8
165.12761	26.7
166.13109	0.8
167.10657	1.1
167.95197	0.7
173.09604	2.3
179.10684	5.8
181.12260	35.9
182.12592	4.2
191.10701	17.3
192.11055	1.0
209.04500	2.4
209.11769	100.0
210.12080	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	209.1178
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
55.05808	0.3
59.01243	0.7
70.87624	0.9
83.04867	0.4
98.37383	0.4
121.02847	7.9
122.03151	0.5
123.12413	0.4
124.03957	1.2
147.34250	0.4
165.12793	0.5
170.18344	0.4
175.01335	0.4
179.70206	0.4
181.12221	0.5
209.11771	100.0
210.12108	8.9
210.13960	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04375	0.3
55.01759	3.8
56.02070	0.4
57.03334	2.1
59.01253	0.6
63.34354	0.3
68.99673	0.3
69.03323	0.8
70.01126	1.4
71.01259	0.5
71.04884	1.1
78.05406	0.3
80.02555	0.9
81.02879	0.4
81.03332	4.6
83.01257	31.9
83.04895	4.2
84.01601	0.7
84.02042	1.6
93.03349	0.3
95.04894	1.9
97.02855	0.3
97.06462	4.9
99.00713	0.4
99.04394	0.5
106.04085	0.3
108.02071	0.3
109.06458	0.9
111.08024	0.6
121.02846	5.0
123.08042	2.2
124.03896	0.5
124.08308	0.3
125.09611	27.1
126.09943	1.7
135.08060	2.2
145.40134	0.2
147.11688	1.0
149.09615	0.4
150.86098	0.3
153.12769	0.3
163.11198	10.9
164.11528	0.6
165.09053	0.4
165.12753	3.3
166.13147	0.3
167.10690	0.6
173.09660	0.5
173.74387	0.3
181.12256	2.3
191.08948	0.5
191.10709	8.7
192.11032	0.6
209.11768	100.0
210.12103	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	209.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.9
59.01241	1.6
66.00965	0.3
68.99664	0.5
71.01257	2.7
71.12948	0.6
71.13288	0.7
72.99177	0.6
73.68867	0.4
75.00743	0.6
77.03860	0.5
80.02558	0.4
81.03330	0.4
83.01266	0.5
83.04898	1.0
85.02821	7.9
87.00771	0.7
89.02305	0.5
91.01762	1.0
93.03319	1.0
93.73687	0.4
94.02856	0.5
94.06467	0.4
95.01270	0.6
95.04910	1.2
105.03341	4.3
108.02071	0.4
111.00773	0.8
120.02058	0.9
121.02843	100.0
122.03168	5.4
123.00789	0.5
123.04398	0.6
124.03944	1.5
129.01814	1.1
133.01332	0.7
133.02843	1.9
135.04422	0.6
136.01566	1.1
147.04448	0.5
150.03102	1.1
151.03914	12.0
152.04297	0.8
161.02350	29.5
162.02711	1.4
163.11176	0.7
165.12740	0.8
167.03439	0.4
176.04710	14.1
177.05098	0.9
179.03419	43.6
180.03716	2.9
181.04987	0.6
191.01918	1.5
191.07048	5.5
191.08627	0.5
192.07384	0.5
194.02069	1.5
194.05772	40.2
195.06133	3.1
209.02895	1.2
209.04567	10.8
209.08151	11.3
209.11725	9.3
210.04704	0.8
210.08258	1.1
210.12170	0.9
210.14946	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.9
57.03318	2.1
59.01250	2.0
59.84743	0.4
69.03314	1.4
69.95583	2.4
71.01254	1.2
71.04901	0.8
71.17948	0.6
80.02542	0.9
81.03333	4.5
83.01257	29.7
83.04885	3.1
84.01601	0.5
84.02046	1.7
93.03323	0.7
94.02849	0.5
95.04881	1.0
95.93954	0.4
97.02802	0.6
97.06463	5.6
99.04376	0.5
106.04123	0.5
109.06473	0.6
111.08026	0.7
120.02068	0.5
121.02846	19.2
122.03195	1.3
123.08038	3.0
124.03912	2.6
125.05951	0.5
125.09612	26.9
126.09947	1.0
128.99153	2.9
135.08064	2.2
137.46484	0.4
145.10117	0.6
147.11687	1.5
163.11200	9.6
164.11505	1.0
164.93977	0.9
165.12753	3.2
167.10748	0.6
173.09624	0.9
181.12315	2.5
191.01837	0.6
191.10695	9.0
209.04469	2.2
209.11769	100.0
210.02446	0.6
210.12119	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	209.0449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	2.1
59.01240	2.9
66.00954	0.5
66.03343	0.5
70.17919	1.4
71.01251	4.5
72.99174	1.5
73.02818	0.5
75.00760	0.5
76.72008	0.4
79.20036	0.4
80.02560	0.7
81.03321	0.7
83.01272	0.7
83.04893	0.6
84.02075	0.5
85.02818	12.3
85.69176	0.4
87.00758	0.7
89.02289	0.8
91.01774	2.2
92.07588	0.4
93.03322	1.0
94.02856	1.0
94.06510	0.8
95.04883	1.5
103.09598	0.4
105.03352	3.8
108.02063	0.7
109.02865	0.5
109.87100	0.4
111.00763	1.0
120.02063	1.8
121.02840	100.0
122.03172	5.3
123.04396	0.6
124.03949	2.3
124.27285	0.4
129.01826	1.6
133.01309	1.2
133.02837	1.3
135.04436	0.6
136.01546	1.6
137.05956	0.7
150.03123	0.9
151.03905	8.9
152.04265	0.9
161.02351	20.7
162.02693	1.8
163.11185	1.0
165.12785	0.7
176.04694	10.0
177.05031	0.6
179.03415	31.5
179.62367	0.4
180.03786	2.3
181.04985	1.0
181.12366	0.4
191.01938	2.1
191.07037	3.2
194.02132	1.2
194.05772	24.7
195.06136	1.8
209.02895	1.4
209.04568	9.0
209.06232	0.5
209.06552	0.5
209.08162	6.8
209.11765	11.7
209.13771	0.7
210.04892	0.8
210.07837	0.6
210.12076	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0661
Annotation	D-Mannoheptulose
Peak:m/z	Relative Intensity
53.00189	0.8
54.94050	0.8
55.01769	4.1
57.03327	30.3
58.00462	2.0
59.01251	26.3
67.01736	1.0
68.99684	2.9
69.03305	1.5
71.01257	24.6
71.26785	2.1
72.99191	4.9
73.02805	3.6
75.00740	3.4
83.01255	7.5
84.02059	7.5
85.02826	100.0
86.03156	1.5
87.00754	23.6
87.04363	1.0
89.02318	7.8
97.02857	1.4
99.00763	4.1
101.02306	2.4
103.96222	0.8
105.32574	0.7
111.00764	8.2
115.03905	0.9
129.01836	33.1
133.01338	5.1
141.01836	2.7
147.02957	0.9
159.02933	6.9
191.01988	5.3
209.03185	5.4
209.06610	49.4
210.07036	2.5
222.80511	1.0
225.04044	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0297
Annotation	D-Glucarate
Peak:m/z	Relative Intensity
55.01742	1.8
57.03322	13.5
58.09539	0.5
58.27390	0.4
59.01249	11.9
68.99680	2.3
70.71799	1.2
71.01253	33.1
72.01590	0.6
72.99178	10.0
73.02822	0.9
75.00749	6.0
83.01241	2.8
84.02036	3.0
85.02822	100.0
86.03149	2.9
87.00745	3.3
89.02312	8.4
94.02860	0.7
101.02327	1.2
103.00242	2.2
111.00770	6.2
115.00291	2.7
121.02820	0.9
124.03941	1.8
129.01830	7.4
132.85391	0.5
133.01314	9.6
135.04427	0.6
147.02879	3.2
173.00830	2.2
183.27818	0.5
191.01895	25.2
192.02133	0.8
209.02962	23.9
209.11780	2.0
210.03377	1.1
219.48705	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0297
Annotation	D-Glucarate
Peak:m/z	Relative Intensity
50.72635	1.0
54.02147	1.0
55.01753	1.4
57.03325	12.8
58.03624	1.2
59.01252	14.4
66.19575	1.1
68.99689	1.8
70.87881	2.3
71.01251	31.0
72.99170	6.4
73.02854	1.3
75.00746	6.2
83.01285	3.0
84.02029	2.6
85.02822	100.0
86.03168	3.3
87.00740	3.7
88.01589	1.2
89.02301	7.3
94.02856	2.3
103.00266	2.2
111.00752	5.3
111.04370	1.1
111.92216	1.0
115.00239	3.5
121.02824	3.8
124.03915	7.5
129.01820	8.3
133.01337	12.8
147.02913	2.3
173.00812	1.6
184.68900	1.2
191.01900	20.6
194.05722	1.9
202.89409	1.2
209.02913	16.3
209.04538	2.4
209.08183	1.7
209.11790	6.0
210.07607	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	209.0297
Annotation	D-Glucarate
Peak:m/z	Relative Intensity
55.01522	0.5
55.01755	3.2
57.03323	20.3
58.00462	0.6
59.01248	19.2
67.01760	0.4
68.99686	1.6
69.24632	3.2
69.25048	1.4
69.93505	0.4
71.01253	30.7
72.01578	0.6
72.99183	6.2
73.02822	2.4
75.00742	6.0
79.26315	0.4
83.01253	3.8
83.36469	0.4
84.02043	4.5
85.02822	100.0
86.03157	2.9
87.00750	8.6
89.02312	9.3
90.02596	0.4
90.74017	0.5
98.20562	0.9
99.00731	1.5
101.02308	2.3
103.00227	2.0
108.39448	0.4
111.00759	5.8
112.01100	0.5
115.00267	2.4
129.00859	0.8
129.01830	15.0
133.01324	8.5
141.01825	0.5
147.02907	2.7
155.79718	0.4
159.02901	1.8
173.00865	1.7
191.01909	16.4
192.02356	0.9
209.02988	15.8
209.06584	14.8
210.03268	0.6
210.07034	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.7
55.12323	0.5
57.03325	100.0
58.03667	1.5
59.01256	5.5
65.99740	0.7
68.01274	0.6
69.03327	10.7
69.78677	0.6
71.04893	2.7
78.95782	1.0
81.03339	1.4
83.01249	0.6
83.02412	0.8
83.04890	1.1
88.55280	0.6
91.01772	0.8
91.05417	0.8
93.03326	1.8
94.02875	0.9
94.04125	0.7
95.02409	0.9
95.04874	3.1
95.78580	0.7
97.02834	2.9
97.06489	1.2
106.04107	1.8
107.04878	1.8
109.03953	1.2
109.06477	19.0
110.06776	0.9
111.08030	1.6
116.72089	0.5
119.04928	3.1
121.03949	0.9
121.06467	6.3
122.03531	1.0
123.04404	1.9
123.08058	2.2
133.06499	5.3
135.04353	1.5
135.07979	1.3
136.01511	0.7
136.05161	1.0
137.05907	1.0
137.09624	27.5
138.09953	1.6
139.07549	5.6
148.05031	0.8
149.02286	1.2
149.09612	7.2
151.07545	3.1
151.11214	2.2
163.00266	0.8
163.11226	2.9
164.04530	0.9
165.12785	5.5
177.01846	4.8
177.19904	0.6
179.10735	1.6
180.04068	0.7
181.05025	0.8
189.12773	5.4
191.10616	0.8
192.00587	3.5
192.04294	3.7
192.11490	59.1
193.11842	4.9
205.12213	1.2
207.02861	2.3
207.06572	2.6
207.10382	1.9
207.13844	80.9
208.06017	1.2
208.14172	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	209.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26135	0.2
53.00198	0.3
55.01760	1.8
57.03324	16.9
58.00467	1.2
58.03651	0.5
59.01252	15.2
60.01618	0.2
68.99692	2.1
69.03335	0.6
70.77164	0.2
70.77509	0.6
70.82361	0.2
71.01254	23.9
71.11527	0.2
72.01581	0.3
72.99184	5.1
73.02824	1.6
75.00748	3.9
80.52410	0.2
83.01260	4.1
84.02047	5.5
85.02825	100.0
85.99969	0.6
86.03156	2.2
87.00751	13.4
87.04388	0.9
88.01077	0.4
89.02320	8.0
93.03366	0.3
94.02875	0.4
95.02383	0.4
96.95894	0.2
97.02832	1.4
99.00764	1.9
101.02333	2.4
103.00266	1.9
109.01562	0.7
111.00768	6.8
112.01124	0.3
115.00269	1.5
115.03883	0.3
121.02836	0.7
124.03931	0.8
129.01833	24.2
130.02173	0.5
133.01324	6.8
133.83835	0.2
137.02307	0.3
141.01839	1.9
147.02887	2.4
159.02898	4.4
165.28247	0.2
166.37193	0.2
173.00851	1.4
191.01900	12.8
192.02191	0.4
194.02066	0.2
209.03026	14.8
209.06599	34.6
210.03311	0.5
210.06941	1.7
225.43178	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1022
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
50.26100	1.3
51.20088	1.0
57.03328	7.6
59.01255	12.4
69.03333	1.8
70.33136	4.8
79.05405	2.5
81.03355	5.2
83.04929	1.6
88.65507	1.0
93.03342	64.6
94.03638	1.4
95.04915	20.7
106.04092	1.9
107.04917	16.5
108.02067	1.7
109.06474	4.7
119.04919	3.3
121.06487	3.8
132.85228	1.0
136.47684	1.1
137.09612	2.2
145.10205	1.3
148.08862	2.1
149.09596	1.2
160.22859	1.1
161.09685	1.9
163.11211	100.0
164.03474	1.2
164.11511	6.6
177.01855	4.8
192.00577	4.9
192.04205	4.4
192.11534	4.1
199.89986	1.1
204.47992	1.3
207.02922	5.9
207.06607	2.3
207.08350	1.6
207.10225	24.2
207.13741	5.7
208.06194	1.6
208.10341	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1021
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
51.12643	1.5
57.03322	2.3
59.01246	38.5
71.01234	1.4
71.56974	1.7
78.91747	2.7
80.02544	5.4
80.91561	2.7
81.03326	11.6
83.04895	10.2
85.02819	2.1
93.03319	4.1
95.04884	2.7
97.02837	6.6
107.04906	4.3
109.06473	100.0
110.06802	4.5
119.01318	1.6
119.04940	2.4
121.02848	1.8
121.06484	7.8
122.06010	1.8
123.04397	2.6
133.06520	2.4
135.04434	1.5
135.08051	14.1
136.05130	2.5
137.05995	1.7
142.02621	3.2
145.15877	1.6
147.62796	1.3
149.02315	2.3
161.09605	5.4
163.11189	46.5
164.11584	3.7
177.01830	11.8
189.09087	2.0
192.04204	15.8
206.78813	1.9
206.99307	1.9
207.02982	3.9
207.06772	7.9
207.10210	58.7
207.13676	7.9
208.06096	2.4
208.10463	4.7
208.74333	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	207.0294
Annotation	Isoochracinic acid
Peak:m/z	Relative Intensity
53.25893	0.4
53.70911	0.4
56.16597	0.4
59.01254	0.6
65.99741	0.7
69.25177	2.2
69.25605	3.0
70.25853	0.5
71.01241	0.5
74.32449	0.4
93.03349	1.4
95.04908	0.5
98.20572	1.0
107.25124	0.4
117.03387	0.7
119.04927	100.0
120.05257	5.6
121.02921	0.5
121.04027	0.6
122.03436	0.4
135.04462	1.1
136.04015	0.8
149.02359	0.6
161.76451	0.5
163.03947	8.3
163.05887	0.9
163.11110	0.5
164.57512	0.5
164.89351	0.5
177.01891	1.9
179.03444	0.6
192.00534	1.2
192.04250	3.0
207.01163	1.1
207.02940	24.4
207.04758	1.2
207.06639	0.9
207.10196	0.9
208.03329	1.4
208.06104	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	37.2
64.03271	25.5
71.56522	39.8
75.00764	25.4
80.52835	26.4
116.52492	27.7
135.04431	26.0
159.10956	26.4
177.01859	66.1
192.04153	100.0
203.57611	28.0
207.06615	39.9
207.10248	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1022
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
55.98639	0.6
56.56244	0.6
57.03336	0.7
59.01249	32.3
65.01317	0.8
65.03838	0.7
67.05408	0.8
69.03315	1.2
70.18777	1.2
70.19183	1.9
71.01263	0.6
73.02818	0.7
74.55402	0.5
75.00731	0.6
75.56036	0.5
78.85521	0.5
80.02541	5.4
80.50841	0.5
80.53986	0.5
81.03333	9.9
83.04896	9.0
85.02816	1.3
88.55286	0.7
93.03342	2.2
95.01325	0.6
95.04903	2.2
97.02825	16.1
98.03239	0.6
106.04083	2.6
107.04916	4.1
109.02803	1.1
109.06471	100.0
110.03614	3.6
110.06813	4.0
111.04424	0.7
115.60972	0.6
121.02876	0.7
121.06475	7.1
122.03477	0.7
123.04411	3.0
123.08036	0.7
133.06468	0.7
135.08046	13.1
136.05173	6.5
136.08376	1.1
137.09596	0.6
137.37302	0.7
142.02621	8.8
145.10118	1.4
148.01501	0.6
149.02359	0.9
151.07654	0.8
161.09677	5.3
162.10033	0.7
163.11200	44.5
164.11546	4.6
164.89407	0.6
165.09111	2.3
177.01820	4.2
179.03494	0.7
179.10706	2.5
181.05150	0.8
189.09193	3.2
190.43718	0.6
192.04169	4.7
192.07878	0.9
207.03000	1.3
207.06763	2.6
207.10201	83.9
208.06218	1.3
208.10565	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	206.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08918	1.4
54.81451	1.3
58.02852	35.5
59.01239	1.9
60.03531	1.4
61.23663	1.5
65.01305	2.2
65.99722	2.8
70.02850	13.7
71.56565	1.6
71.56966	2.0
72.00787	7.2
82.03977	2.5
91.05406	5.2
108.14280	1.4
108.29279	1.2
119.04921	28.4
120.05645	1.4
129.68480	1.4
135.04396	3.5
137.25443	1.4
147.04424	36.0
148.04927	2.1
163.00272	3.8
163.03896	3.1
164.07088	100.0
165.07428	6.7
177.01775	4.0
190.99756	3.5
192.00565	3.9
192.04233	3.2
206.05017	1.5
206.08173	30.2
206.12679	2.5
207.01076	3.9
207.02928	6.7
207.04732	1.8
207.06636	4.4
207.10262	2.0
207.13686	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	207.0116
Annotation	2-Naphthalenesulfonic acid
Peak:m/z	Relative Intensity
58.02850	0.3
59.01250	0.7
63.96176	0.2
70.00209	1.1
79.20833	0.3
79.95605	25.5
80.96394	0.3
93.03348	0.2
95.04885	0.3
109.02894	0.3
109.03919	0.3
119.04921	0.7
120.16298	0.2
134.03583	0.3
135.04370	0.6
136.04974	0.2
143.04929	35.6
144.05292	2.5
149.02322	0.5
149.09613	0.4
151.00328	0.2
163.03931	0.4
163.11241	0.3
169.99187	0.3
177.01854	1.2
192.04205	1.5
199.09550	0.2
207.01152	100.0
207.10149	0.8
208.01471	8.6
208.05977	0.6
221.20750	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15655	3.0
57.03312	2.7
58.02845	3.6
59.01236	5.8
65.01302	5.5
65.99715	5.7
67.02863	4.4
81.04462	2.8
82.03994	6.8
93.07001	3.6
105.06973	7.0
109.03949	3.9
119.02366	4.7
121.02769	2.9
121.05076	23.5
124.05083	3.3
134.03546	4.5
135.05525	3.2
135.11711	4.2
136.05063	6.4
148.04962	4.5
150.06787	24.4
161.05988	2.9
161.13266	24.7
162.89305	3.5
163.06206	6.1
163.11154	6.8
164.04547	3.5
176.00328	5.3
196.66212	3.1
204.98206	6.6
205.04839	12.5
205.06830	3.9
205.08813	5.5
205.12279	100.0
205.15846	20.4
206.12587	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	205.1592
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
50.43945	0.3
51.80018	0.3
51.93190	0.3
65.90269	0.3
66.10979	0.3
74.27646	0.3
79.01883	0.3
103.64825	0.3
103.82268	0.3
107.14065	0.3
112.40155	0.3
117.02448	0.3
133.02814	0.3
149.09592	0.3
161.02351	0.6
161.06049	0.4
162.89259	0.5
163.00294	0.3
189.12811	2.2
190.99796	0.5
205.01381	0.4
205.05016	0.9
205.15915	100.0
206.16245	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	206.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02853	35.8
59.01245	2.8
70.02857	14.1
70.54454	2.4
70.54853	2.8
72.00774	5.1
77.76177	1.2
82.02844	1.6
91.05401	5.9
93.03345	3.1
104.72231	1.1
106.03941	1.3
107.04921	4.5
117.37337	1.3
119.04874	4.8
121.02789	1.5
121.04074	1.1
130.04126	3.8
135.04425	14.8
137.03453	1.4
144.68762	1.5
145.06522	1.8
146.06041	6.5
147.04424	36.0
148.04820	1.8
149.06003	1.8
162.05502	2.9
162.09224	1.8
163.07480	1.7
163.11194	1.6
164.07080	100.0
165.05511	1.6
165.07385	7.6
176.07054	1.3
177.01805	3.8
179.03520	1.8
180.03947	1.2
188.07104	2.4
192.00488	2.0
192.04160	2.9
197.19791	1.4
206.04463	2.0
206.08167	42.3
207.06665	2.7
207.08514	3.1
207.10294	1.6
207.13927	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	205.0502
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
59.01255	0.5
61.36810	0.4
67.23859	0.4
71.01292	0.4
71.56618	0.7
75.00759	1.9
82.03986	0.4
89.03848	1.3
93.01469	0.4
93.03327	2.2
101.03824	0.8
105.03396	0.4
106.03979	0.4
109.02892	0.5
115.00230	0.4
117.03344	3.8
119.04918	3.7
121.02848	13.1
121.05077	1.8
122.03193	0.5
123.04426	0.8
129.03369	0.5
131.04938	1.2
133.02875	1.0
134.02594	0.3
134.03558	1.8
135.04427	0.7
145.02861	25.6
146.03365	0.8
147.04436	5.6
149.02454	0.6
149.06044	0.5
159.04424	0.5
159.08258	0.3
161.02347	1.8
161.05951	1.6
161.09645	0.4
162.89247	1.1
163.00270	0.4
163.03874	0.4
163.06172	0.4
163.11194	0.8
173.02374	0.9
175.03947	4.1
176.04327	0.5
177.01881	0.9
177.05515	0.9
180.97343	0.3
187.03981	0.6
190.02704	0.6
190.99828	1.1
205.05009	100.0
205.12328	1.8
205.15904	6.8
206.05406	6.4
206.16316	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93232	7.3
55.01765	19.2
59.01255	50.6
66.70896	8.5
68.99718	8.8
69.81089	39.5
71.01255	89.2
72.99182	49.8
73.02814	37.2
75.00756	100.0
85.02840	23.1
87.00768	65.1
87.04393	10.9
89.02300	18.0
99.00748	35.2
100.05314	7.4
101.02332	20.2
111.00811	27.5
115.00279	36.5
116.00585	7.6
117.01839	33.7
118.59810	7.1
129.01854	79.8
133.02847	14.4
133.04965	47.1
145.01433	10.7
147.02882	14.0
161.02380	13.2
163.11220	13.7
205.01367	16.6
205.05016	20.8
205.06975	17.6
205.08737	18.0
205.12285	25.0
205.15935	69.9
213.13509	7.4
220.03575	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	203.9595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.6
61.98701	1.4
68.46765	0.4
68.85823	0.5
78.91749	0.5
79.51794	0.4
80.91557	100.0
89.02361	0.4
106.03915	0.6
117.19984	0.4
121.05099	1.5
123.92241	0.5
146.93770	47.1
162.89285	0.9
163.11182	0.4
203.95946	28.4
204.96170	1.0
205.08684	0.8
205.12309	0.9
205.15944	2.6
217.10477	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0661
Annotation	Oxyhydrastinine
Peak:m/z	Relative Intensity
57.03367	1.4
59.01257	2.0
61.98686	2.0
65.01343	2.5
65.30568	1.5
65.99728	4.1
68.01283	5.4
71.01257	2.7
71.57340	3.2
83.02389	2.0
83.08286	1.7
84.00790	4.4
91.02935	1.8
97.03983	1.8
106.03979	2.6
107.02431	2.4
107.04889	3.6
109.03953	2.1
115.00218	1.8
116.04942	1.5
117.03364	2.4
117.05302	3.1
119.04918	5.5
120.04475	2.7
121.02844	4.3
121.03940	1.6
121.05107	4.5
130.06551	1.8
132.04523	1.8
132.05548	1.8
133.05202	1.7
133.06525	2.4
134.03587	4.2
134.05997	2.2
135.01924	2.3
135.04424	12.3
136.05037	3.1
144.04446	7.4
147.04353	1.8
148.03917	2.1
148.05040	1.8
157.05182	3.7
158.06013	34.0
158.63847	1.5
159.04401	3.7
160.03949	3.1
161.02307	2.2
161.04633	3.2
161.06001	2.1
162.05519	100.0
163.03932	41.3
163.05983	6.0
163.11249	2.9
164.04332	3.2
175.60216	1.6
176.06967	1.7
178.06143	2.3
186.05536	8.5
204.02986	2.2
204.06572	29.3
204.10245	2.9
205.04999	3.7
205.06940	3.1
205.08795	1.8
205.12288	5.0
205.15926	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	203.1283
Annotation	CHEBI:79272
Peak:m/z	Relative Intensity
57.03323	5.0
57.84642	0.6
59.01252	100.0
60.01591	1.4
65.01317	2.3
65.99746	2.2
71.04910	0.7
71.56562	0.8
71.56960	1.1
74.02343	5.6
76.08560	0.7
82.03985	1.3
85.02824	19.7
87.00767	0.7
87.98627	0.7
91.97782	0.8
97.06488	1.1
99.08044	15.2
103.91917	1.7
104.97642	2.2
105.04480	1.1
106.04053	0.8
107.02396	1.0
109.03968	0.7
113.09607	1.9
113.99081	0.7
116.04945	2.6
117.03304	0.8
119.02406	0.9
120.01947	1.2
120.05568	2.0
121.03979	1.2
122.03467	0.9
125.07112	2.4
125.09621	0.8
127.11165	8.7
130.94302	0.9
131.01253	0.9
131.04907	1.2
132.05594	1.0
134.03477	2.1
137.09653	1.4
139.11182	5.8
148.05035	1.0
155.10654	2.6
157.06160	2.2
157.12253	28.1
158.12611	1.6
159.04428	1.7
160.05096	1.5
160.97676	0.9
161.08264	1.3
169.06096	2.7
174.99100	1.6
175.03911	1.1
176.04564	3.4
185.11763	0.8
200.03914	0.7
202.94057	1.5
203.03496	1.7
203.05606	2.2
203.12822	57.8
204.02898	1.2
204.13148	3.8
221.37486	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1284
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
57.79548	0.5
58.00464	1.1
58.02829	0.5
59.01250	3.2
65.01318	1.7
65.99717	1.5
70.32153	0.5
72.00763	0.7
72.99183	0.9
73.02795	0.5
74.02343	0.7
78.11996	0.5
81.04461	0.6
82.03979	0.8
83.02418	0.7
91.02913	0.6
95.02329	0.7
98.20514	1.1
106.03996	0.9
107.02428	0.8
109.03963	0.8
116.04948	2.6
119.02419	0.9
120.05581	0.6
121.03962	0.6
122.03516	0.7
125.09599	1.0
127.11178	5.2
128.16769	0.5
130.04099	0.8
133.03941	1.2
134.03526	1.6
139.11205	1.3
143.10678	0.8
146.03555	0.6
147.04427	1.0
149.03471	0.8
155.10719	1.5
157.06491	1.5
157.12239	6.2
158.03532	0.6
159.04395	1.3
160.03912	0.7
160.05080	1.0
161.04539	0.5
161.08186	0.7
161.09624	0.6
162.03020	0.6
167.10735	0.9
174.99121	0.7
175.03903	1.1
176.04567	2.2
185.11761	12.0
201.11275	6.1
202.11673	0.6
203.03522	1.0
203.05626	1.5
203.12836	100.0
204.02884	0.7
204.10306	0.9
204.13167	6.6
212.03084	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1282
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
56.93006	0.5
57.03323	3.1
59.01247	2.8
65.01324	1.1
65.99716	0.8
66.16976	0.5
66.74835	0.5
68.01289	0.5
71.01257	0.8
71.05768	1.3
81.96733	0.6
83.02386	0.6
83.80643	0.6
85.02823	1.1
85.90191	0.5
87.00732	0.6
87.04348	0.7
91.02918	0.6
97.06448	0.9
99.08042	5.2
106.03986	0.7
116.04959	0.9
119.02467	0.6
125.03394	0.5
127.11140	2.7
130.94228	0.6
132.05563	0.6
133.03969	0.6
134.03514	1.2
137.09657	0.7
139.11165	0.7
143.07033	1.6
147.04475	1.1
148.05115	0.7
157.12236	1.7
159.04388	1.0
160.03920	1.0
161.04564	0.7
162.03009	0.6
162.05492	1.0
163.03886	1.2
167.10709	1.1
176.04552	1.6
185.11761	4.2
186.05516	0.7
193.16861	0.6
201.11221	3.4
203.03387	1.1
203.12820	100.0
204.06676	1.2
204.13156	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	203.0822
Annotation	(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoate
Peak:m/z	Relative Intensity
52.57740	0.9
59.01241	2.9
65.01318	2.9
65.99718	2.9
68.01292	1.0
70.86543	1.2
70.86880	2.3
72.00783	21.0
72.99188	1.0
74.02346	37.8
81.03648	1.0
83.02393	1.1
91.02898	1.2
106.03998	1.6
107.02391	1.5
115.03887	0.9
116.04954	100.0
117.05290	4.4
118.27888	1.0
119.02400	1.2
119.04913	3.3
120.03194	1.1
121.03979	1.8
130.06482	1.8
131.03658	1.4
131.04903	2.6
132.04488	1.1
132.05379	1.4
132.36462	1.2
133.03986	2.1
133.05074	1.1
133.06427	1.2
134.03535	2.1
142.06535	26.5
143.06895	1.3
144.04457	1.1
147.04405	1.5
148.05026	1.1
149.03551	1.7
157.06371	1.3
157.07591	1.6
159.04376	2.2
159.06367	2.9
159.09177	14.2
160.04005	2.2
160.06311	2.5
161.06955	1.1
162.05527	1.6
163.03734	1.5
175.03920	2.5
175.08664	5.7
176.04492	3.8
186.05527	3.8
203.03366	2.7
203.05426	5.5
203.08202	46.7
203.10982	2.3
203.12830	4.5
204.02876	1.3
204.06584	3.1
204.08545	2.4
221.70116	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1071
Annotation	CHEBI:67833
Peak:m/z	Relative Intensity
51.13548	0.3
51.62996	0.3
59.00950	0.4
59.01252	8.1
69.02993	0.3
69.03316	1.6
70.48019	1.0
71.01256	0.5
80.58227	0.3
93.03336	9.2
95.04903	1.0
97.06471	3.0
98.06782	0.4
100.92471	0.6
101.50401	0.3
103.51836	0.3
103.91896	1.6
104.97644	1.4
106.04121	8.3
106.65626	0.3
108.02031	2.4
108.85087	0.3
114.50358	0.3
116.04948	0.3
119.31395	0.3
121.02845	0.8
123.04414	1.1
130.04134	0.7
130.94263	0.7
131.04929	6.3
132.05721	2.3
132.98093	0.8
134.03603	0.8
138.03148	1.1
142.93575	0.5
145.02834	2.8
145.06435	2.1
146.07297	2.4
147.04414	0.3
147.08044	2.0
148.95348	0.9
156.05681	0.5
159.04430	13.0
159.07986	0.6
160.05206	100.0
160.89209	0.8
160.97629	1.0
161.05550	7.1
161.09674	0.4
161.89357	0.3
173.09616	1.0
174.06871	0.3
174.10405	1.0
174.99126	3.3
175.03900	0.7
175.11197	14.1
175.12718	0.7
175.20038	0.3
176.11549	1.3
185.09697	1.8
185.11125	0.3
187.35925	0.3
188.04704	1.0
188.08383	0.3
202.94121	1.6
202.98637	1.0
203.03474	0.8
203.10712	53.9
204.11082	4.5
212.22430	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.082
Annotation	L-Tryptophane
Peak:m/z	Relative Intensity
59.01249	3.9
65.01311	1.4
65.99709	2.0
67.24062	0.9
71.01228	0.9
71.57059	1.1
72.00777	22.8
74.02342	36.4
91.02866	1.3
103.91879	1.0
106.04014	0.9
109.03930	1.1
112.49442	0.8
116.04945	100.0
117.05276	6.0
119.02379	0.9
121.03928	0.8
130.06476	2.7
130.94899	0.8
133.03928	1.1
134.03523	2.0
142.06525	28.1
143.06891	1.7
159.09181	18.0
160.05070	1.1
160.09546	0.8
161.04605	2.4
164.88174	0.8
165.05090	0.7
175.03987	0.7
176.04553	2.1
186.05502	4.5
203.08182	58.1
204.08554	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	201.149
Annotation	11-Hydroxyundecanoic acid
Peak:m/z	Relative Intensity
58.02842	0.3
59.01250	13.5
60.01577	0.3
65.01312	0.5
65.86664	0.2
65.99705	0.3
69.03310	0.2
71.01258	0.2
71.57872	0.3
82.03955	0.5
90.00837	0.2
91.02930	0.2
99.92455	2.2
101.02309	0.2
106.03992	0.3
119.02434	0.2
125.09598	1.3
126.10065	0.2
127.11168	0.3
130.03966	0.3
132.05554	0.8
139.11171	0.7
141.93510	2.2
142.03993	0.2
148.05092	0.3
152.87531	0.2
155.10657	0.3
155.14314	5.1
156.14648	0.5
158.03539	0.2
159.01350	0.3
159.02951	0.4
159.06613	0.5
159.89293	0.3
160.05028	0.4
164.83510	1.0
166.83266	0.4
173.05997	0.2
174.06606	0.5
175.06181	0.8
183.10155	0.3
183.13805	2.4
184.14085	0.2
199.13274	1.0
201.02417	0.7
201.05478	0.7
201.11200	4.4
201.14886	100.0
201.80096	0.4
202.07233	0.7
202.15222	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	203.082
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
56.11201	0.7
56.47577	0.7
58.92486	0.7
66.73174	0.8
70.23991	0.8
71.33611	1.0
71.33939	1.0
72.00778	24.7
72.62015	0.8
74.01920	1.7
74.02344	34.7
77.22182	0.8
98.19997	0.8
114.76071	0.9
116.04948	100.0
117.05276	4.5
130.06522	4.1
134.58679	0.8
142.06522	28.9
143.06873	2.0
143.49959	0.8
154.76190	0.8
157.07730	1.0
159.09195	16.7
161.04701	1.2
174.94734	0.9
186.05513	3.4
203.08195	52.8
204.08545	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	203.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46737	0.5
51.69322	0.4
57.63729	0.5
67.91331	0.5
71.27289	0.6
72.00781	25.2
74.02347	36.2
99.17822	0.5
115.65937	0.5
116.04948	100.0
117.05290	5.3
129.05716	0.6
130.06548	2.5
142.06528	27.3
143.06866	1.6
157.07639	0.7
158.05994	0.5
159.09183	19.4
160.09549	1.0
161.04710	1.1
186.05505	3.9
203.08200	60.0
204.08560	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	201.1126
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
52.43450	0.4
56.16674	0.4
56.91505	0.5
57.03315	2.2
58.00462	2.4
59.01252	2.9
65.01306	1.2
65.94832	0.4
65.99713	0.7
69.47308	3.8
71.01276	0.6
71.04879	0.5
73.02804	1.1
83.04887	0.4
97.06454	0.7
98.20550	0.5
99.08022	2.2
99.92458	0.6
101.02319	0.8
106.03960	0.7
122.03535	0.6
125.09608	7.7
126.09933	0.6
127.11180	13.3
127.12128	0.9
128.11482	1.1
129.22334	0.5
130.04002	0.6
132.05585	1.2
133.03941	0.9
134.04596	0.6
137.09613	2.1
139.11192	5.7
142.04025	0.4
147.05498	0.5
148.05083	0.7
153.09042	0.7
155.10696	5.0
157.12196	2.7
158.03494	0.5
160.05025	0.9
165.09114	4.2
171.10156	4.3
174.06638	1.3
175.06224	1.0
183.10182	2.0
199.09650	4.0
201.11258	100.0
202.07449	0.6
202.11609	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	201.1125
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03318	0.8
58.00484	0.8
58.02879	0.4
59.01253	100.0
60.01593	1.4
65.01322	1.8
65.99722	1.4
68.45490	0.4
69.03326	5.3
69.36556	2.4
69.36986	1.8
73.02831	0.5
73.83283	0.5
82.02891	0.5
82.03992	0.7
85.02825	19.8
86.03185	0.9
91.02901	1.2
95.02383	0.4
97.06471	29.9
98.06797	0.9
106.04004	0.9
113.02325	0.7
118.03985	0.6
119.02386	0.7
121.03954	0.7
121.10117	0.5
123.08115	0.5
125.09605	1.8
127.11171	2.5
130.04016	0.7
132.05583	1.6
133.03996	1.3
133.05020	0.5
137.09587	0.8
139.11191	2.0
144.05571	0.5
148.05069	1.1
155.10701	1.9
159.03050	0.6
159.06708	0.7
160.05093	1.0
165.09135	0.9
171.10168	1.4
173.05997	0.9
174.03023	0.5
174.06660	1.6
175.06133	0.8
179.43661	0.4
183.10207	2.7
199.09772	0.7
201.02509	0.4
201.03973	1.0
201.05711	1.1
201.07732	2.0
201.11269	32.7
202.07399	0.6
202.11565	1.6
215.40778	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1126
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
50.90258	0.3
51.94045	0.3
57.03321	7.5
59.00971	0.6
59.01249	3.7
59.74181	0.3
62.90867	0.3
65.25660	0.3
69.03342	0.5
71.04904	0.4
71.45190	0.7
73.98695	0.3
83.04905	0.7
99.92481	0.8
111.08030	5.7
132.05621	0.7
133.94368	0.3
137.09596	2.6
138.09972	0.3
139.11179	100.0
140.11516	6.6
141.93520	0.7
155.10609	0.5
157.12233	1.9
159.06570	0.3
160.05069	0.4
170.40961	0.3
174.06618	0.5
175.06201	0.9
183.10185	40.2
184.10507	3.5
196.96733	0.3
200.90822	2.2
201.11249	87.9
202.11606	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	201.1127
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
55.01750	1.0
57.03325	5.0
58.00467	2.5
59.01254	12.1
59.82027	0.7
65.01302	2.0
65.99709	1.5
69.03336	1.5
70.88251	1.8
71.01259	1.0
71.04881	3.9
73.02826	1.4
85.02832	1.8
87.04391	6.7
91.02894	0.7
106.03973	1.1
113.02346	3.6
118.03921	0.6
118.06507	3.3
119.02391	1.2
121.05101	0.6
121.10120	2.5
125.09608	7.7
127.11189	13.2
130.04085	0.8
131.03429	3.1
132.05580	2.1
133.03990	1.9
133.05006	0.9
134.03448	0.9
137.09601	2.0
139.11212	7.1
144.04340	0.8
147.05559	1.2
149.49219	0.7
155.10686	4.7
157.12181	1.1
158.03577	0.7
159.01469	0.7
159.06641	0.9
160.05009	1.0
161.05901	0.7
162.05382	0.8
165.09097	5.5
171.10204	4.9
174.03014	1.1
174.06546	1.3
183.10219	6.8
199.09665	3.6
201.11263	100.0
202.11580	5.6
222.81410	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1125
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03314	0.9
58.00471	2.0
59.01248	27.0
59.50892	0.2
60.01569	0.6
69.03316	0.3
71.57689	0.4
73.02814	1.1
74.36086	0.3
83.04901	0.3
85.02804	0.3
97.06462	0.7
99.92459	3.4
111.28388	0.2
115.51214	0.2
123.08054	0.5
125.08721	0.5
125.09614	7.9
126.09950	0.5
127.11175	13.0
128.11523	0.6
137.09602	1.8
139.11166	2.8
141.93538	4.2
153.09106	0.8
155.10664	4.2
156.10973	0.3
157.03424	0.4
157.12238	0.9
158.89270	0.5
159.01369	1.2
159.87846	0.4
159.89226	0.6
163.83958	0.3
164.83493	2.6
165.09120	5.3
166.09462	0.3
166.83279	1.1
171.10182	4.1
173.05942	0.5
183.10173	2.2
199.09674	3.4
201.02652	2.0
201.11247	100.0
201.80141	1.6
202.00844	1.6
202.02548	0.4
202.11592	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	201.1126
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03325	5.1
58.00470	0.5
58.02823	0.5
59.01249	35.9
60.01559	0.6
65.01317	1.6
65.99715	1.5
66.00850	0.6
69.03319	1.3
69.23721	5.3
73.02827	0.8
80.02532	0.9
82.03970	2.0
83.04897	1.3
89.01302	0.5
91.02874	0.5
95.04884	1.2
97.06463	14.1
98.06846	0.7
99.92444	4.4
106.03996	1.3
109.03949	0.6
111.08035	0.7
115.07529	0.9
118.03997	0.7
119.02449	0.9
119.40539	0.5
121.03986	0.7
121.05047	0.4
122.69798	0.4
123.08038	7.7
125.09608	100.0
126.09960	5.7
127.11157	2.7
130.03999	0.6
132.05551	2.4
133.03972	1.3
133.05058	0.9
139.11194	2.2
141.93530	5.0
146.03551	0.7
147.05553	0.5
148.05005	0.7
155.10695	0.9
157.06432	0.5
157.12262	0.7
158.03580	0.8
158.89203	0.8
159.01385	1.8
159.02994	0.9
159.06670	1.3
159.89339	0.8
160.05067	1.2
162.05420	0.6
164.83521	0.9
165.09134	0.8
169.08662	3.3
171.06613	0.5
171.10223	0.6
173.05998	0.9
174.02945	0.5
174.06618	2.5
175.06142	2.0
183.10162	1.4
187.09692	1.4
199.09593	0.9
201.02573	2.8
201.05534	1.8
201.07701	1.7
201.11247	35.1
201.14937	5.7
201.95566	0.5
202.07333	1.1
202.11604	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	201.1127
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
54.62249	2.2
57.03326	31.5
58.00464	3.9
58.02829	2.5
59.01252	39.5
65.01308	6.8
65.99728	4.3
69.96344	8.2
71.01257	4.1
71.04897	7.5
72.99176	2.5
73.02804	5.1
75.17068	2.0
83.04919	5.5
85.02827	11.8
85.06475	2.7
87.03848	3.4
87.04392	70.6
92.11619	2.0
95.04890	2.4
97.05045	2.2
97.06505	3.6
101.05987	5.9
106.03990	2.4
113.05962	34.7
117.03326	2.6
121.02800	2.4
121.03996	3.6
121.06473	4.8
121.10137	12.6
125.09636	7.6
127.07560	2.6
127.11179	5.2
130.04092	3.9
131.03654	7.7
131.04900	6.2
132.05589	4.5
133.03946	3.1
137.09592	10.8
139.11215	11.7
145.02838	2.3
147.04396	2.6
147.05533	2.6
149.16913	2.2
155.10722	15.5
157.12279	3.9
158.06021	8.9
173.05933	4.3
174.02959	3.7
174.06647	5.2
175.03874	8.5
175.06253	2.9
183.10252	12.7
201.04042	2.7
201.05582	3.6
201.11264	100.0
202.04976	15.6
202.11539	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	201.1125
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03311	3.0
59.01252	26.4
63.02390	1.2
65.01331	3.4
65.99720	2.3
71.01258	1.9
71.04878	1.8
71.57240	2.2
79.86123	1.7
83.02370	1.5
83.04868	1.8
84.02021	1.5
85.02829	2.9
86.45189	1.8
88.35191	1.5
97.06466	19.8
99.08031	14.1
99.92412	1.9
127.11124	3.2
132.05540	1.8
139.11176	8.2
143.07059	2.4
155.10684	2.5
174.06721	2.1
183.10216	12.5
201.11247	100.0
202.04883	2.2
202.11568	6.8
209.14255	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	201.1126
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
54.60108	0.3
57.03306	0.9
57.29504	0.3
58.00457	2.8
59.01246	4.0
66.65081	0.4
71.01279	0.7
73.02825	0.8
77.83927	0.4
97.06459	0.5
125.05952	0.5
125.08747	0.5
125.09618	6.9
127.11184	13.0
127.12119	0.9
128.11513	0.7
137.09599	1.9
139.11201	1.6
149.28473	0.4
153.09099	0.6
155.10693	4.5
157.12234	0.9
160.03909	1.0
165.09120	4.6
169.03946	0.5
171.10159	4.5
174.05461	0.9
183.10194	2.5
192.21364	0.4
199.09653	4.2
201.11252	100.0
202.11584	6.8
206.60033	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1333
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
50.01183	0.5
54.49944	0.4
57.03335	0.5
57.81685	0.4
59.01243	1.3
69.03321	0.5
69.26542	0.4
70.67436	0.6
70.67789	1.2
70.96197	0.5
71.04871	0.7
73.02840	0.6
74.33209	0.5
83.04878	0.8
85.02785	0.5
90.02886	0.4
99.00781	1.0
99.08044	0.7
137.09575	0.8
141.12773	0.5
147.23051	0.4
153.12775	0.6
155.10663	1.2
157.05125	0.5
163.11203	1.1
169.12262	8.2
170.12538	0.7
172.05132	0.5
176.99345	0.5
181.12271	23.3
182.12616	2.3
182.65448	0.4
197.11769	2.3
199.06194	1.1
199.13335	100.0
200.13658	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	199.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	1.1
57.03308	3.4
58.00457	6.9
59.01240	3.7
61.38007	1.0
65.01312	6.0
65.99719	2.5
66.00839	1.9
66.26993	0.8
69.03326	1.0
71.01276	1.5
71.04881	1.5
71.50392	0.8
71.57729	1.4
73.02815	4.7
74.07167	0.8
75.24413	0.9
83.04897	2.7
85.02273	0.9
85.02785	2.0
89.01311	0.9
91.02895	2.9
92.02408	1.3
95.04929	1.0
99.00772	4.0
99.08040	2.6
103.79954	0.8
105.04471	1.2
106.04010	2.3
111.00755	1.3
111.08067	1.5
113.09608	0.9
116.02431	1.5
117.04434	1.2
119.02374	1.2
127.03922	1.5
127.11174	1.4
130.03984	3.9
131.03502	1.3
131.06081	1.3
134.03510	1.7
137.05911	1.0
137.09604	4.1
139.11200	9.6
140.11438	1.1
141.12750	20.3
142.13097	1.4
145.03990	1.8
145.05061	2.1
146.03485	1.2
151.11147	1.1
153.12778	7.3
155.10675	12.3
155.14355	1.1
156.05569	1.3
156.89378	1.8
157.05109	3.4
158.03510	2.8
162.83833	6.5
164.83542	6.5
167.10733	1.4
169.12257	43.6
170.12611	3.3
171.13754	5.6
172.03812	1.5
172.05006	4.7
173.04642	3.1
179.10669	1.0
181.12259	3.9
197.11772	2.2
199.04390	1.2
199.06041	4.7
199.07832	1.3
199.09691	8.6
199.13336	100.0
199.17000	4.6
199.80421	5.4
200.05690	2.3
200.09546	1.0
200.13640	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	199.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92602	0.3
57.85730	0.3
58.00449	0.4
59.01252	1.2
65.99673	0.3
67.53266	0.3
71.37267	0.4
71.37602	0.3
78.05862	0.3
82.70949	0.2
83.04858	0.3
115.22425	0.3
141.12796	0.5
144.00108	0.3
153.12741	0.4
155.10712	0.3
162.83792	0.6
163.11194	1.0
164.83516	0.4
169.12254	8.0
170.12598	0.5
181.12260	22.8
182.12608	1.9
197.11755	1.6
198.91130	1.0
199.13326	100.0
200.13664	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	199.1334
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
57.03325	0.4
59.01246	0.7
65.01330	0.8
66.00825	0.3
69.03304	0.3
69.59521	0.3
71.01273	0.4
71.04891	2.8
73.02808	0.6
83.04897	1.7
85.02827	0.5
91.02907	0.5
92.02432	0.4
97.06470	0.4
98.20537	1.0
99.00739	1.3
99.08017	0.7
106.03977	0.7
109.45392	0.3
125.09608	2.2
127.03985	0.4
127.11137	0.5
130.03938	0.5
131.03589	0.3
137.09616	0.7
141.12756	0.7
145.04016	0.5
145.05072	0.4
153.12788	0.4
155.10684	2.9
155.14314	4.7
156.14619	0.3
156.89360	0.7
157.05112	0.5
162.83807	4.2
164.83553	4.4
169.12259	1.3
171.10123	0.4
172.05075	0.8
173.04549	0.5
181.12305	0.6
199.06139	0.9
199.13327	100.0
199.80396	3.1
200.09431	0.4
200.13680	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0971
Annotation	Masutakic acid A
Peak:m/z	Relative Intensity
50.78751	1.7
52.51592	1.8
57.03310	5.9
58.00471	8.9
58.37646	1.8
59.01241	8.0
65.01312	6.5
65.99731	2.7
69.03313	8.0
71.01253	7.0
71.04881	4.2
71.22557	1.6
71.57188	3.2
71.98742	1.6
72.99158	2.2
73.02822	32.3
75.21345	1.7
78.05652	1.7
81.82607	2.5
83.04887	6.1
84.02047	3.8
85.02830	5.5
89.01339	2.0
91.02897	5.4
92.02446	2.0
95.04929	3.9
97.06446	4.4
99.04403	4.2
106.03992	3.1
109.06483	4.1
112.85541	2.0
113.02341	2.7
119.02408	2.0
119.08579	1.7
123.08043	3.8
125.05995	11.0
125.09630	26.1
127.03907	4.6
127.11172	15.4
130.04012	8.1
131.03549	2.7
135.08060	4.2
137.09621	22.1
141.09111	3.9
143.10675	7.2
145.03955	2.5
146.03508	3.1
150.32475	2.3
151.07570	7.4
153.09094	7.0
155.10674	23.4
156.05594	3.1
156.89420	2.2
157.05025	4.5
158.03522	6.5
163.07578	3.4
171.06676	3.3
171.10182	63.8
171.62573	2.0
172.05067	13.2
172.10570	3.1
173.04633	3.5
181.05164	2.0
181.08623	10.9
199.06177	9.9
199.09697	100.0
199.13403	17.3
199.16948	13.2
200.05820	3.0
200.10039	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	199.0969
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
54.54322	0.3
57.03328	0.5
59.01242	0.6
65.01327	0.7
69.18244	0.3
70.86727	0.7
71.01255	0.4
74.17059	0.4
75.26028	0.3
81.37216	0.3
83.04906	0.5
85.02860	0.3
89.01312	0.6
90.00847	0.3
91.02922	0.3
92.02402	0.3
106.03978	0.4
116.02465	0.3
130.04018	0.7
137.09625	6.2
138.09946	0.6
138.15494	0.4
155.10684	100.0
156.11023	6.0
157.05075	0.6
158.03450	0.4
171.10181	0.7
172.05112	1.4
172.06293	0.3
173.04555	0.6
181.08615	0.8
199.04173	0.5
199.06108	0.9
199.09702	9.1
199.13301	2.1
199.16946	0.9
200.09969	0.4
214.70207	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0969
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
55.12178	0.2
59.01264	0.3
61.31352	0.2
66.52187	0.2
69.48892	0.4
69.49299	1.1
71.01254	0.3
80.16248	0.3
83.04906	0.6
92.77026	0.2
102.03408	0.2
103.70644	0.2
105.36129	0.2
107.47695	0.2
114.53375	0.2
128.65323	0.2
137.09624	6.2
138.09946	0.5
155.10680	100.0
156.11011	7.2
169.12254	0.3
181.08588	1.0
199.09688	7.3
199.13292	0.9
200.09978	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	1.1
59.01248	3.4
59.64315	0.5
65.01308	1.6
69.03336	2.8
71.01257	0.9
71.04897	1.5
71.57508	0.9
73.02824	0.6
83.04889	1.6
85.02811	0.7
93.03331	0.6
94.02828	0.5
95.01237	0.9
97.02792	0.5
105.04462	0.8
106.03970	1.1
112.01530	9.1
112.03949	0.6
116.92755	0.8
121.02846	0.9
122.73542	0.4
123.00784	4.3
123.08054	1.0
125.09595	1.0
126.90379	0.9
129.04431	0.6
130.04019	0.6
137.02321	0.9
138.03120	0.7
141.09102	1.0
144.01971	0.5
144.05623	0.6
151.11143	1.4
153.01822	0.6
153.09123	2.7
153.12752	9.1
155.03462	0.9
156.05598	1.4
157.05083	1.3
160.84155	4.1
162.83813	12.1
166.99742	2.5
167.10603	0.7
169.12251	15.9
170.03484	0.7
170.07172	1.0
170.12640	1.3
171.06679	2.9
179.10732	2.2
180.03290	0.5
182.02121	5.5
196.91370	1.3
197.00835	0.6
197.02829	1.0
197.04538	2.0
197.08173	6.8
197.11757	100.0
197.80733	5.0
198.03993	1.4
198.07805	1.8
198.12105	8.9
215.12849	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	199.0969
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
57.03314	1.1
58.00478	0.8
59.01248	1.9
65.01318	1.4
65.99723	0.7
69.25958	1.0
69.26360	3.4
73.02842	0.7
77.12889	0.4
81.03329	0.9
83.04893	4.7
87.22652	0.4
89.01311	0.8
91.02914	0.5
93.08175	0.4
106.03999	1.1
109.06411	0.4
116.02409	0.6
121.52240	0.4
130.04004	1.4
131.03481	0.6
135.08028	0.6
137.09616	11.4
138.09950	0.9
140.11563	0.4
141.12770	2.1
145.04004	0.7
155.10680	100.0
156.11031	7.7
157.05119	1.5
158.03448	0.7
158.04611	0.6
162.83861	0.6
169.12257	3.5
171.06885	0.6
171.10141	0.5
171.13690	0.6
172.05078	1.4
173.04597	1.4
181.08609	2.8
181.12236	0.5
199.06158	1.6
199.09686	17.7
199.13326	13.5
199.16942	1.2
200.09953	1.3
200.13651	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1177
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
55.95794	0.5
57.03330	0.6
59.01244	4.0
62.14170	0.4
65.01311	2.0
65.99701	0.6
66.00816	0.5
69.03316	2.2
71.01233	0.4
71.04866	0.4
78.27811	0.4
83.04899	1.4
85.02822	0.6
89.01315	0.8
91.02888	0.6
93.03342	1.4
97.02841	0.4
97.06448	0.5
98.02300	0.4
99.00729	0.4
106.04008	1.2
121.02859	0.8
123.00762	1.9
123.08061	0.6
126.99443	1.7
128.02446	0.5
129.04407	0.4
130.04008	1.1
131.03539	0.5
135.08005	1.0
138.03104	0.5
141.09113	1.0
143.02464	0.4
143.03494	0.9
144.05544	0.8
151.11131	1.0
153.01878	0.6
153.05476	1.1
153.09102	7.4
153.12759	5.5
154.09494	0.6
155.03473	0.6
156.05557	1.1
157.02721	0.5
157.05121	1.6
162.83804	1.0
166.99765	1.7
167.99278	0.4
169.12262	17.0
170.03432	1.0
170.07156	1.0
170.12590	1.1
171.03032	0.7
171.06700	2.9
179.10678	1.9
182.02101	3.8
183.01118	0.5
189.01216	0.8
197.02695	2.0
197.04510	1.5
197.11760	100.0
197.80692	1.0
198.03610	1.2
198.07791	1.2
198.12093	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63763	0.4
59.01247	1.3
59.98719	0.4
65.01306	1.1
69.03323	2.0
71.57517	0.5
71.57941	0.6
81.03342	0.7
83.04882	1.5
95.01258	0.6
97.06489	1.0
112.01550	1.2
112.03902	0.4
121.02853	0.6
123.00796	2.6
123.08064	0.7
131.18166	0.5
135.08107	0.5
138.03085	0.6
141.09111	0.6
143.03471	0.5
144.05591	0.8
151.11180	1.0
153.01881	0.5
153.05528	0.7
153.09113	2.8
153.12762	5.2
154.13130	0.7
156.05602	1.0
157.05066	0.9
160.84177	4.1
162.83810	9.7
166.99767	1.7
169.12259	15.9
170.12593	0.9
171.06653	2.5
179.10660	1.6
182.02122	4.2
196.91405	1.1
197.04514	1.2
197.08228	2.7
197.11766	100.0
197.80737	5.7
198.07787	1.5
198.12108	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	197.1177
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
55.01729	0.5
57.03323	0.3
57.21037	0.3
61.60914	0.4
69.03318	0.8
69.50817	2.4
71.04900	1.1
83.04855	0.3
87.88380	0.3
95.04887	0.6
97.02882	0.3
97.06467	13.6
98.06803	0.7
98.19877	0.6
99.07430	0.5
99.08032	4.2
109.06480	0.5
111.08063	0.3
119.97787	0.3
122.03631	2.2
123.00753	1.3
123.04397	0.3
125.02371	0.4
125.09611	0.8
126.03124	1.0
133.06398	0.4
137.09636	1.8
151.11205	0.8
152.21808	0.3
153.12753	100.0
154.13081	8.0
160.84154	1.8
162.83817	3.2
163.91801	0.4
169.12267	0.5
179.10699	21.3
180.09746	0.3
180.11031	2.0
182.02147	1.5
196.91397	0.9
197.02852	1.5
197.04407	0.5
197.11775	7.8
197.80727	2.1
198.12085	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12446	0.2
59.01239	0.8
60.26645	0.2
63.15934	0.2
69.03326	2.4
77.98740	0.2
79.48454	0.2
81.03326	0.2
83.04886	1.1
97.06480	0.4
98.20158	1.3
99.08064	0.2
104.98903	0.2
109.02879	0.3
115.37864	0.2
115.58609	0.2
123.00856	0.2
123.07996	0.3
125.09654	0.4
133.06448	0.2
135.11676	0.2
141.09081	1.1
151.11205	1.1
153.09120	1.6
153.11575	0.4
153.12749	4.7
154.13097	0.4
159.53801	0.2
160.84148	0.3
162.83827	0.7
167.10689	0.3
169.12247	18.3
170.12582	1.4
179.10672	2.0
180.11011	0.4
182.02104	0.4
196.91444	0.3
197.02695	1.0
197.11755	100.0
197.80699	0.2
198.12099	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	197.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.8
59.01260	3.1
61.98705	0.7
62.78926	0.5
66.19135	0.5
69.03325	2.4
69.68871	1.9
69.69278	1.6
71.01250	0.6
77.92518	0.5
79.71467	0.6
83.04892	1.4
85.02839	0.6
95.01296	1.1
97.06459	1.0
109.02802	0.7
116.92768	1.7
121.02854	0.8
123.00764	3.9
125.02312	1.0
126.90429	0.7
137.02364	1.0
138.03131	1.1
141.09116	1.3
151.11224	0.9
153.05496	0.9
153.09119	1.4
153.12758	6.4
160.84131	11.0
161.84055	0.9
162.83827	32.1
166.99742	2.7
169.12257	17.1
170.12631	1.9
178.99831	0.6
179.03436	0.6
179.10710	2.5
182.02110	5.3
196.98462	0.8
197.04466	2.0
197.11771	100.0
197.15454	2.5
197.80719	15.7
198.12097	6.8
215.16016	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30275	0.3
57.13902	0.3
59.01259	1.0
59.08639	0.3
64.21054	0.3
69.03331	2.1
70.93385	0.6
81.03291	0.3
83.04896	1.1
89.01071	0.3
97.06499	0.3
97.38024	0.3
119.37841	0.3
123.00791	0.4
123.08053	0.7
125.09611	0.7
128.10051	0.3
141.09106	1.5
151.11226	0.9
153.09113	1.4
153.12755	4.2
160.84088	1.2
162.83829	4.0
166.99728	0.6
169.12260	18.4
170.12589	1.0
179.10701	2.0
182.02171	0.6
197.11768	100.0
197.80727	2.4
198.12109	6.1
199.23473	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1176
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
50.21327	0.4
59.01239	1.6
65.01317	0.8
69.03307	2.1
71.01222	0.5
71.56937	0.6
71.57272	0.5
79.99825	0.4
83.04904	0.9
95.01282	0.5
95.04906	0.7
97.02860	0.4
106.03985	0.6
109.02829	0.5
112.01528	0.6
116.92753	1.0
121.02935	0.4
123.00766	1.9
123.08050	0.6
125.02318	0.4
125.09567	0.5
138.03110	0.8
141.09131	0.6
143.03479	0.8
149.48744	0.4
151.11176	1.0
153.05461	0.4
153.09148	2.6
153.12752	4.5
157.05116	0.9
160.84154	2.8
162.83820	8.5
166.99779	1.6
167.10718	0.5
169.12257	18.4
170.12601	1.6
171.06668	1.3
178.99672	0.7
179.10701	2.0
182.02121	3.1
196.91365	0.7
197.11768	100.0
197.80740	4.8
198.07704	0.5
198.12090	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	197.0601
Annotation	3,4-Dihydroxyfluorene
Peak:m/z	Relative Intensity
52.95944	1.7
59.01233	4.7
61.98694	2.5
64.02247	1.4
65.01311	1.5
69.03337	3.2
71.01254	3.1
71.04881	2.6
71.57758	2.7
79.76482	1.5
79.95599	2.7
95.01257	2.0
96.04420	2.2
97.06476	4.9
109.02885	2.2
111.04355	3.4
112.01515	2.6
112.03889	3.6
116.92723	4.7
121.02886	3.6
123.00771	11.4
123.08143	2.0
125.09518	2.0
126.90392	3.7
133.06505	2.5
137.02353	3.0
138.03131	5.3
152.26398	1.5
153.05444	4.0
153.09148	3.1
153.11606	2.2
153.12750	31.0
154.13083	2.9
154.91132	1.6
156.05710	1.8
157.05132	2.1
160.84117	34.1
161.84158	2.5
162.83820	95.4
165.97206	1.7
166.99789	14.2
169.06494	3.6
169.12251	10.4
171.06630	3.4
179.10696	6.7
182.02094	25.3
196.91286	5.3
197.02693	14.3
197.04485	6.7
197.06003	100.0
197.07980	5.3
197.11760	59.2
197.13243	1.3
197.15297	3.5
197.80719	46.2
198.04218	1.7
198.06287	10.4
198.07928	3.3
198.12071	2.2
219.35588	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	196.0609
Annotation	DL-DOPA
Peak:m/z	Relative Intensity
58.04278	2.5
59.30750	2.3
60.25079	2.5
61.00089	2.5
71.36860	3.3
72.00761	3.7
81.03315	3.7
82.19553	2.4
107.04898	6.7
108.02053	4.3
109.02804	7.0
121.02837	3.0
122.03632	18.8
123.00819	2.6
123.04408	27.8
134.03656	14.1
134.06004	6.6
135.04416	100.0
136.04755	7.3
137.02325	3.1
150.05467	4.0
152.07080	59.4
166.99709	3.0
178.04932	3.2
179.03398	3.3
182.02107	3.3
196.06087	54.7
197.06320	3.1
197.11757	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	196.914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.4
59.32140	0.2
63.34635	0.2
69.91998	1.1
71.04892	0.3
78.68480	0.2
79.95612	0.5
82.02856	0.2
83.01241	0.3
83.04893	0.3
87.19000	0.2
95.01255	0.5
97.06469	0.3
109.02847	0.3
111.04406	0.3
121.02804	0.3
123.00776	1.5
125.02271	0.4
126.90453	0.3
130.43895	0.2
133.06438	1.0
137.02357	0.4
138.03149	0.3
153.05507	0.3
153.09087	0.3
153.12743	2.0
156.22783	0.2
158.94005	0.9
160.84119	10.1
160.93668	1.5
161.84164	1.1
162.83824	29.0
166.99754	0.9
169.12233	0.5
171.58926	0.2
179.10719	0.3
182.02129	2.1
193.97763	0.2
196.14201	1.2
196.91403	100.0
197.02692	2.9
197.04494	0.8
197.08089	0.7
197.11769	4.3
197.15433	0.3
197.80739	16.4
197.91740	4.5
198.12177	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1384
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
65.20645	0.3
71.34980	0.4
109.06470	3.8
110.06763	0.5
111.08057	4.0
122.03611	0.5
125.09599	0.8
135.11667	0.6
138.06799	0.6
144.46939	0.3
147.16455	0.3
150.03087	0.3
151.11176	0.5
152.91675	0.4
158.94095	0.4
160.84129	17.0
165.12772	0.3
167.14323	7.2
168.14684	0.7
179.10701	4.8
180.04076	0.4
180.11267	0.4
181.73398	0.3
194.89871	0.4
194.91692	13.6
195.13835	100.0
195.81049	7.2
195.91986	0.7
196.14165	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	195.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.2
59.01250	5.9
61.85668	0.5
61.98707	0.7
65.01330	1.0
66.03358	1.3
69.31137	3.4
69.31548	1.0
71.01255	0.7
83.04899	1.4
85.02834	0.7
93.03344	0.7
94.02860	1.5
95.01266	0.8
96.95880	0.7
97.02824	0.7
97.06426	0.6
98.02359	1.0
101.14573	0.5
107.04916	1.1
108.01973	0.5
109.02853	1.3
110.02380	1.1
110.05929	0.5
121.02853	1.5
122.03634	0.6
123.00766	0.9
123.04417	1.5
123.08056	1.3
125.02336	0.7
135.00781	0.7
135.04395	1.0
136.05188	2.1
137.02325	1.8
137.05952	0.6
142.03981	1.5
150.03117	3.9
151.03836	1.3
151.07532	1.3
152.91666	7.4
152.94366	0.6
154.04027	0.7
156.88139	0.6
160.84116	17.6
165.01855	3.6
165.05476	2.3
167.90359	2.3
168.05501	0.7
169.05132	1.6
177.12782	3.8
180.04201	5.2
194.91536	1.5
194.92882	1.6
195.02896	1.4
195.06758	5.5
195.08473	2.3
195.10191	2.8
195.13838	100.0
195.81041	6.4
196.06239	1.9
196.14178	9.5
200.55502	0.6
212.93857	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18377	1.1
59.01248	6.4
65.71777	1.1
66.03368	2.4
68.14487	1.2
69.03320	1.1
69.83927	3.3
69.84355	2.4
73.02819	1.1
75.00747	2.4
78.95782	1.3
80.96394	1.2
80.96867	0.9
83.04906	1.1
94.02850	2.6
96.95873	1.5
97.02808	1.2
98.19792	1.6
106.03996	1.1
108.02103	2.5
109.02841	1.9
121.02848	2.1
122.03632	1.3
123.00753	1.4
123.04430	2.6
123.05456	1.0
123.07983	1.2
124.03967	2.3
125.02322	3.0
125.05962	1.5
129.01880	1.6
129.92921	1.1
136.05159	1.9
137.02357	1.4
150.03146	5.6
151.03903	4.2
151.07573	2.3
151.11296	1.2
152.91684	11.6
152.94405	1.6
160.84131	21.1
165.01881	3.3
165.05522	2.4
167.07079	2.0
167.90421	3.5
169.05063	1.1
177.05623	1.1
177.12781	3.4
180.04213	4.1
184.14603	1.0
194.92787	2.9
195.02890	3.9
195.05009	2.0
195.06622	7.2
195.10275	7.0
195.13847	100.0
195.81079	5.4
196.06192	3.2
196.14186	7.4
212.93901	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51196	0.6
59.01251	4.8
63.75365	0.5
64.76545	0.5
65.01327	0.5
70.86908	1.3
70.87254	0.7
71.01245	0.6
81.03300	0.6
82.85581	0.6
83.04903	0.6
87.08285	0.5
98.02352	0.6
101.02333	0.7
102.57728	0.5
106.04036	0.6
109.03938	0.5
109.06501	0.6
121.02794	0.6
123.04371	0.7
123.07996	0.6
124.01605	0.8
125.02233	0.5
128.14017	0.5
136.05205	0.7
137.02361	1.0
150.03116	1.2
151.03987	0.6
152.91667	4.0
158.67206	0.5
160.84142	10.4
165.01837	0.9
165.05449	1.0
167.90382	1.4
169.89264	0.5
177.12764	3.8
180.04240	2.0
194.91689	2.3
194.94283	3.9
195.06563	2.3
195.13838	100.0
195.81000	4.8
195.91208	16.3
196.06163	0.8
196.14220	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	195.102
Annotation	(+)-Isololiolide
Peak:m/z	Relative Intensity
57.03328	1.4
59.01252	12.9
60.54066	0.8
60.99176	1.3
61.98708	1.3
65.01333	0.8
66.03354	1.1
69.03332	4.0
71.04900	1.5
71.11967	2.0
71.12322	1.0
75.00729	1.4
78.95771	2.3
83.04903	2.7
85.02820	2.4
85.99944	1.2
93.03352	2.0
94.02876	1.1
95.04910	2.7
97.02832	1.1
97.06477	2.5
98.83365	0.7
107.04908	1.3
108.02071	1.6
109.02862	1.8
109.06503	1.6
121.02821	2.1
122.03635	3.7
123.04389	1.8
123.08060	3.0
124.01583	1.7
125.02374	1.8
125.03326	0.9
130.04076	1.1
131.08615	1.9
133.10141	6.6
135.08018	1.3
136.05209	1.3
137.09644	2.7
142.04018	1.8
147.08057	5.0
149.05994	1.2
149.09642	7.5
150.03168	4.3
151.03941	1.3
151.07516	1.5
151.11205	13.3
152.91681	8.8
153.51782	1.0
158.94020	2.6
160.84224	2.2
165.01897	1.1
165.05463	1.4
165.09155	3.3
167.07137	1.3
167.10710	11.8
167.90404	2.7
168.05605	1.4
169.05156	1.4
177.09128	9.0
180.04250	3.6
194.91489	7.6
194.95476	0.9
195.02913	2.1
195.06633	6.6
195.10207	100.0
195.80980	1.2
196.06227	3.5
196.10559	5.4
212.93799	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1384
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
59.01249	6.3
59.48664	0.4
61.98692	0.5
66.03365	0.5
68.99676	0.4
71.01229	0.7
71.57455	0.5
83.04881	1.1
96.95889	0.5
97.06483	0.4
98.02339	0.6
106.04007	0.7
123.08022	0.8
124.01514	0.4
132.35568	0.4
136.05110	0.9
137.02406	0.7
139.85561	0.5
150.03120	1.5
151.07501	0.4
151.11160	0.9
152.91644	2.6
160.84126	13.2
165.01834	1.1
165.05608	0.6
167.90384	0.9
177.12779	3.9
177.48061	0.5
180.04167	1.5
180.24986	0.5
194.92865	0.7
195.02887	0.6
195.06555	1.8
195.13834	100.0
195.81021	5.5
196.06038	0.8
196.14185	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	195.0504
Annotation	Gulonic acid
Peak:m/z	Relative Intensity
52.12614	1.0
57.03314	6.5
58.00432	1.4
59.01257	19.2
70.00962	4.6
71.01260	13.3
72.99174	8.1
75.00750	100.0
76.01098	1.2
78.95786	2.1
82.07901	1.1
83.01350	1.1
83.46439	1.0
85.02831	6.9
87.00763	15.7
89.02317	8.4
92.64406	1.0
96.96825	2.8
99.00764	11.4
101.02332	1.7
105.01835	6.1
106.16540	1.0
129.01837	38.1
130.02138	1.1
141.01816	1.4
147.02910	2.0
156.17500	1.1
159.02913	5.2
177.04025	6.3
195.05042	56.1
195.80161	0.9
196.05319	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	194.0928
Annotation	alpha-[3-(Nitrosoamino)propyl]-3-pyridinemethanol
Peak:m/z	Relative Intensity
55.01744	0.6
66.00833	0.6
69.00799	0.9
71.01244	0.4
71.02700	0.5
71.03033	0.4
81.02075	10.3
82.01619	0.7
82.02408	0.4
82.02866	0.8
90.19753	0.4
96.01909	7.6
108.01926	0.6
108.04398	0.7
109.01573	8.9
109.02701	23.9
110.03540	0.9
111.08067	1.5
122.09631	2.5
123.04435	0.4
124.01526	0.3
124.07573	3.0
136.01447	0.5
137.02219	4.0
137.08368	0.6
138.09134	1.0
139.07513	1.1
139.08598	0.7
141.01672	2.5
151.11121	0.3
152.91626	1.1
165.05511	0.4
165.09036	0.9
166.08594	0.8
166.09814	0.8
167.90390	0.5
178.52979	0.3
179.06905	1.1
194.09277	100.0
194.91557	0.4
195.06570	1.3
195.09610	7.6
195.13785	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	195.0293
Annotation	3-(3,4-Dihydroxyphenyl)pyruvate
Peak:m/z	Relative Intensity
57.93163	1.0
59.01257	3.0
65.03822	1.9
65.99728	1.2
66.03333	1.2
67.01781	2.0
68.01274	1.1
68.99693	1.6
69.03340	2.4
71.01262	1.8
71.24144	2.0
72.99190	1.4
74.26563	1.0
75.00748	5.7
79.05430	1.6
81.03320	6.5
82.04002	1.3
83.01286	1.6
83.02420	1.3
85.57549	1.0
87.00767	1.3
89.03873	1.8
93.03342	8.4
94.02872	2.2
95.01273	2.1
95.04897	9.5
97.02826	1.3
98.02358	1.7
99.00771	1.5
99.01891	1.2
105.03365	4.0
106.04144	8.5
107.04913	7.7
108.02063	11.4
109.02855	4.9
109.03954	1.6
109.64748	1.2
109.99996	2.5
110.02381	1.8
111.04453	1.3
112.57190	1.0
121.02883	5.5
121.06483	2.8
122.03607	1.3
123.00783	1.8
123.04418	25.8
123.08072	1.5
124.01553	1.6
124.04807	1.8
125.02333	7.0
125.03322	0.9
125.05932	1.1
129.01862	2.5
133.02840	10.8
133.06470	1.3
134.03575	1.7
136.01546	1.8
137.02301	1.6
138.02921	1.2
149.02350	2.1
149.06003	1.4
150.03105	8.6
151.03926	100.0
151.07555	38.4
151.11119	1.9
152.04301	4.4
152.07913	2.3
152.91655	1.9
153.01917	1.3
165.01912	1.3
165.05518	1.2
167.03416	1.6
180.04214	3.6
184.41698	1.2
195.02933	22.4
195.04979	4.3
195.06607	19.8
195.10190	3.2
196.06172	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	194.0663
Annotation	2-Amino-2-deoxy-D-gluconate
Peak:m/z	Relative Intensity
54.23025	0.7
54.27259	0.8
56.07101	0.7
57.03326	4.4
58.00446	2.3
59.01248	21.2
60.01570	2.5
60.75933	0.8
64.20309	0.7
66.71111	0.8
69.03332	0.8
69.08878	0.7
71.01254	11.3
71.55803	1.3
72.01586	2.4
72.99174	11.5
73.02811	3.1
74.03149	1.0
75.00744	100.0
76.01048	1.4
76.73553	0.7
80.96404	1.3
83.01248	2.1
84.01603	1.0
85.02819	5.7
86.02338	2.9
86.03152	2.2
86.05980	1.2
87.00233	1.2
87.00745	15.2
88.03915	4.5
89.02306	4.7
96.04431	2.4
97.02798	2.6
99.00753	3.0
100.01128	0.8
101.02327	4.0
102.02663	2.6
104.53057	0.8
105.01823	13.1
111.00714	2.0
113.02198	0.9
116.96905	0.8
122.03581	0.9
129.01819	11.8
140.03430	4.0
147.02945	5.1
150.03102	0.9
158.04494	3.2
159.02888	1.4
176.05595	8.9
177.03947	5.6
194.06610	50.1
195.05035	19.7
195.06903	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	193.1227
Annotation	Teuhetenone A
Peak:m/z	Relative Intensity
55.92483	1.0
59.01254	54.4
60.01568	1.0
66.21371	0.9
66.44119	0.9
69.03332	1.8
71.01247	4.0
73.02816	2.9
81.03323	2.3
83.01252	1.5
83.04919	5.1
85.02836	3.6
87.00761	2.6
88.16481	1.1
92.99679	1.0
95.01234	1.2
97.02824	1.9
99.00780	2.4
101.02305	4.4
121.02865	1.6
121.10133	8.3
125.02390	1.1
134.03632	3.5
137.02336	1.4
149.02289	1.3
149.06021	1.7
149.13251	7.4
161.04495	4.8
173.09592	2.6
175.11197	9.7
178.02650	3.1
191.10727	8.3
193.01276	2.3
193.04895	1.8
193.12279	100.0
194.08131	1.3
194.12582	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	193.071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	6.7
55.02193	1.5
56.12830	1.5
57.03310	6.8
58.00460	3.5
59.01249	55.3
69.03314	4.4
70.43397	5.9
71.01250	56.7
72.01514	1.5
72.04019	1.5
72.99183	5.1
73.02815	30.1
75.00747	7.2
83.01261	16.6
85.02828	34.6
85.99944	8.6
86.03137	1.5
87.00761	8.6
89.02303	4.6
92.38054	1.7
95.01273	2.9
97.02826	10.4
99.00752	8.5
101.02322	100.0
102.02666	2.4
107.57942	1.5
111.00747	4.0
113.02326	21.0
125.02314	3.6
129.01852	2.0
132.25336	1.6
134.03613	3.3
137.02357	2.9
149.05989	2.5
161.04475	10.8
175.06090	3.2
178.02637	6.1
193.05299	1.9
193.07117	54.9
193.52904	1.7
194.07530	2.6
197.67535	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	193.071
Annotation	Methyl D-galactoside
Peak:m/z	Relative Intensity
55.01759	11.7
56.51320	1.8
57.03311	8.7
58.00454	6.5
59.01250	98.6
68.78532	1.8
69.03323	8.1
69.75907	1.7
71.01254	78.9
71.53243	3.6
72.28094	1.5
72.85405	1.7
72.99171	8.3
73.02430	3.4
73.02821	39.5
75.00750	6.4
83.01251	18.3
84.55201	2.1
85.02821	42.4
85.99968	13.7
87.00748	11.8
89.02324	5.9
95.01247	5.5
97.02821	16.4
99.00751	16.3
101.02319	100.0
102.02670	4.1
107.88881	1.8
111.00774	2.7
113.02325	17.3
121.28935	2.0
124.01524	1.9
125.02341	3.5
134.03618	18.3
137.02345	3.0
149.02277	2.2
149.06020	3.4
161.04482	12.6
178.02625	20.1
185.89458	2.0
193.05098	6.1
193.07092	49.9
193.08794	4.1
194.07181	2.2
195.37085	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	193.071
Annotation	Methyl D-galactoside
Peak:m/z	Relative Intensity
50.57874	1.3
52.53899	1.2
52.98048	1.5
55.01758	10.2
57.03319	10.6
58.00464	5.2
59.01250	93.7
66.69328	1.5
68.99712	1.5
69.03309	6.7
70.95830	3.4
70.96168	2.1
71.01251	78.4
72.01611	1.7
72.99184	8.9
73.02819	31.3
75.00739	22.8
83.01256	24.3
84.01585	1.6
84.02048	1.9
85.02816	42.5
85.99966	13.9
87.00735	10.5
88.03893	1.9
89.02312	5.3
95.01244	4.0
95.63093	1.6
96.16264	1.5
97.02826	11.4
99.00749	12.1
99.59184	1.6
101.02319	100.0
102.02641	3.4
105.20773	1.6
111.00761	3.3
113.01173	2.1
113.02318	14.5
120.10253	1.4
121.81546	1.6
124.01501	2.8
125.02356	3.7
127.03911	2.1
134.03615	5.9
143.03397	3.0
149.05930	1.8
161.04459	7.3
175.06056	2.3
176.05515	4.1
178.02634	4.6
193.07100	44.0
193.08824	2.6
193.37482	1.4
194.06596	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29064	7.2
55.01760	11.2
57.03333	10.6
59.01250	79.8
69.03329	17.5
70.08078	40.5
71.01247	100.0
72.99171	17.4
73.02824	50.5
75.00754	10.0
83.01248	25.6
85.02824	73.6
85.99960	15.5
87.00745	30.8
89.20881	7.3
93.03352	16.0
95.01269	11.0
97.02830	29.1
99.00780	54.7
101.02317	99.2
108.02007	9.3
109.02859	8.7
111.00754	8.9
113.02325	28.6
121.02843	14.3
123.04408	10.2
125.02331	12.5
127.13902	7.4
133.02895	22.2
134.03661	48.5
137.02356	18.7
140.81886	7.1
149.02362	11.7
149.05994	13.2
149.09607	17.0
150.03076	9.6
161.04460	65.3
165.05545	9.1
177.99031	9.9
178.02658	95.6
179.03145	10.8
193.01355	28.2
193.04987	35.8
193.07109	31.3
193.08499	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	193.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.7
56.84652	0.3
57.03326	0.5
58.00462	0.3
58.31066	0.2
59.01248	3.3
65.01314	0.5
65.94271	0.2
65.99729	0.5
66.03378	0.3
67.02882	0.5
68.01263	0.3
69.03310	0.4
70.39953	0.5
71.01251	2.8
72.99190	0.4
73.02825	2.0
75.00736	0.6
81.03312	0.5
81.04398	0.4
82.03968	0.6
83.01254	1.0
83.02388	0.6
84.04407	0.3
85.02817	3.1
85.99999	0.7
87.00748	1.1
89.03831	0.4
93.03344	2.3
95.01273	0.6
95.02409	0.4
96.00795	0.3
97.02808	0.8
97.03940	0.4
98.20628	0.2
99.00754	0.9
99.73808	0.2
101.02319	4.0
106.04095	1.9
107.03617	0.4
108.02076	0.6
108.04434	1.3
109.02838	2.7
109.03971	0.6
111.00777	0.8
113.02316	0.9
114.58826	0.3
117.03345	0.5
121.02845	4.1
122.03262	0.3
123.00740	0.5
123.04358	0.7
123.05531	0.5
124.01529	0.4
124.05093	0.4
125.02381	0.5
132.04469	0.6
133.02852	7.4
134.03629	100.0
135.03955	5.0
136.01537	0.3
137.02341	18.6
138.02635	0.9
139.03900	6.3
139.04939	0.6
140.04257	0.5
148.05006	0.3
149.02382	1.4
149.05984	19.8
150.03090	2.5
150.05475	0.9
150.06520	1.4
151.03879	0.3
152.04590	0.4
153.01825	0.7
161.04431	2.1
165.01888	0.6
166.06111	0.8
176.03383	0.7
178.02631	60.1
179.02994	4.3
192.96248	0.3
193.01332	0.8
193.05003	26.4
193.07039	2.6
193.08684	0.9
194.05219	1.6
214.89824	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	4.1
58.02847	3.1
58.39786	2.3
59.01248	10.6
59.38612	2.1
62.17142	2.2
65.01321	6.3
65.99733	3.2
67.02879	3.7
68.01280	2.5
69.03315	2.7
69.07957	2.1
69.53239	11.3
69.53677	7.6
70.20073	2.6
71.01241	16.0
72.99186	4.8
73.02819	9.8
75.00778	2.1
82.02882	4.3
82.03975	5.1
83.01281	3.8
83.02374	3.1
85.02821	18.2
85.99998	2.5
87.00746	9.7
91.02909	2.7
93.03327	4.4
95.01285	2.5
95.02406	4.0
97.02834	5.9
97.03983	3.7
98.02335	3.6
99.00771	12.0
101.02322	17.0
106.04020	4.5
106.26270	2.2
107.04936	3.1
108.04417	4.8
109.02853	3.2
109.03967	6.5
110.03574	3.5
111.00753	2.8
111.01910	2.5
120.04506	3.5
120.05541	3.1
121.02853	10.6
122.03499	4.1
123.00812	2.4
123.05531	5.9
124.03987	2.7
125.02390	4.8
125.03459	3.5
133.02853	7.3
134.03633	100.0
135.03984	4.5
137.01367	3.5
137.02333	22.1
137.03345	3.9
139.03903	6.4
141.01834	3.8
149.02367	4.1
149.05997	25.1
149.09616	10.7
150.01961	2.3
150.03137	8.1
150.06581	2.7
151.05035	3.8
151.06192	4.1
161.04469	25.8
164.04575	2.5
166.06117	7.7
177.99092	3.2
178.02635	82.9
193.01387	9.4
193.05002	35.9
193.07089	14.9
193.08696	6.7
213.71288	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	191.0344
Annotation	3,4-Dehydro-6-hydroxymellein
Peak:m/z	Relative Intensity
59.01255	0.6
63.68517	0.4
69.69404	0.4
69.98932	1.4
85.02821	3.7
87.00745	1.4
93.03304	2.0
104.02566	1.5
111.00777	2.5
116.64317	0.4
119.04930	4.8
121.02840	0.4
121.03958	0.4
122.03493	0.8
127.03880	0.5
129.03349	1.6
139.23045	0.4
147.04424	100.0
148.01555	1.5
148.04787	6.3
149.04521	0.6
160.46700	0.4
163.00304	0.4
176.01083	6.7
177.01501	0.5
191.03441	21.1
191.05534	8.2
191.07086	0.6
191.10706	0.7
191.14497	0.4
192.03767	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0342
Annotation	Pisonin F
Peak:m/z	Relative Intensity
57.03333	1.4
59.01245	0.5
65.01313	0.2
67.01758	0.5
68.99684	0.2
71.01250	0.4
71.56919	0.3
72.99176	0.5
73.02814	0.8
85.02823	8.0
87.00751	8.8
93.03326	0.6
104.02475	0.2
104.33308	0.2
106.03992	0.3
107.06048	0.2
109.96217	0.2
111.00762	19.6
112.01091	0.8
117.01816	0.5
119.04919	2.4
120.05364	0.2
121.02841	100.0
122.03172	6.0
127.03897	0.2
129.01837	1.0
130.99791	0.2
133.84496	0.2
134.03522	0.2
135.04387	0.2
147.04417	7.4
148.04849	0.6
149.04659	0.2
149.08247	0.3
154.99748	0.6
158.57021	0.2
163.03897	0.4
164.04565	0.3
173.00824	0.7
176.01022	1.2
190.94841	2.5
191.01866	1.8
191.03445	8.2
191.05536	5.9
191.07065	0.4
191.09204	0.4
191.10704	1.3
191.95143	0.2
192.03815	0.5
192.06044	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.019
Annotation	(2S,3R)-2,3-Dihydroxy-5-oxohexanedioate
Peak:m/z	Relative Intensity
50.97815	0.3
52.50119	0.4
54.52111	0.3
55.01749	1.2
55.07229	0.3
57.03322	11.4
58.03657	0.6
59.01244	3.0
67.01749	2.4
69.83004	1.7
71.01248	2.8
72.99178	1.3
73.02832	0.7
73.22748	0.4
74.26001	0.3
75.00756	1.6
83.01249	1.2
84.02036	1.0
85.02819	61.4
86.03168	1.7
87.00748	52.0
88.01092	1.4
99.00777	0.9
101.02326	0.8
111.00758	100.0
112.01096	3.8
115.00278	1.1
117.01832	0.4
129.01830	5.9
130.99765	0.8
131.03421	0.4
147.02922	0.9
154.99786	0.7
160.02748	0.4
162.24197	0.4
173.00853	1.4
191.01909	9.0
191.05569	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	191.019
Annotation	Isocitrate
Peak:m/z	Relative Intensity
57.03325	2.7
67.01749	2.0
71.44016	0.3
72.06647	0.3
72.99178	22.4
73.02816	24.5
74.03146	0.5
80.93620	0.2
83.01255	2.7
85.02821	38.5
85.62744	0.2
86.03150	1.1
87.00732	1.2
99.00761	4.2
101.02322	3.7
103.03892	1.3
111.00761	100.0
112.01096	3.6
117.01822	20.8
118.02170	0.3
129.01833	11.3
147.02931	0.7
154.61841	0.2
154.99771	17.6
156.00139	0.9
173.00833	20.7
174.01147	0.9
191.01906	12.8
191.05574	0.9
192.02257	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.8
57.03326	10.9
59.01243	3.9
61.01062	0.9
67.01759	3.0
69.90830	4.7
71.01260	3.6
71.18925	0.8
72.99191	1.6
73.02841	0.8
75.00745	1.9
83.01268	1.0
83.30490	0.8
84.02018	0.9
85.02829	61.2
87.00758	56.3
90.03402	0.9
93.03348	3.2
94.92699	0.8
101.02348	1.0
104.02577	5.7
111.00771	100.0
111.04375	1.2
112.01120	3.0
113.03176	0.8
117.37329	0.8
121.02796	0.9
127.03902	1.9
129.01830	5.1
136.03975	0.9
147.02931	1.1
147.04416	1.8
148.01567	5.7
173.00876	1.0
173.04501	1.8
176.01089	24.9
177.01538	1.3
191.01987	9.3
191.03505	5.4
191.05548	30.9
191.10825	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	191.0191
Annotation	(2S,3R)-2,3-Dihydroxy-5-oxohexanedioate
Peak:m/z	Relative Intensity
55.01754	1.5
57.03325	15.8
59.01249	5.4
67.01767	3.0
71.01254	1.9
71.23859	0.4
72.99175	1.1
73.02804	0.6
75.00735	1.1
78.95799	0.4
82.37624	0.4
83.01259	1.8
84.02040	1.1
85.02827	76.7
86.03172	1.6
87.00753	56.2
87.04403	0.5
88.01093	1.0
92.49118	0.4
92.69891	0.3
93.03324	0.9
99.00746	0.6
101.02348	0.4
103.03856	0.7
104.02564	1.0
106.36024	0.4
111.00768	100.0
112.01115	3.2
127.03931	0.5
129.01851	4.8
130.99786	0.8
147.02911	0.9
147.04466	0.8
148.01559	2.0
149.50111	0.3
154.99811	0.4
173.00867	0.9
176.01062	7.2
191.01933	8.2
191.03520	1.6
191.05533	11.2
191.10773	0.5
192.02249	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.019
Annotation	Isocitrate
Peak:m/z	Relative Intensity
57.03325	3.5
59.01242	1.7
65.27129	1.5
67.01773	2.1
70.57276	2.6
70.57635	2.3
72.99183	23.6
73.02821	25.8
83.01255	3.3
85.02820	41.7
87.00767	2.4
99.00751	4.0
101.02309	2.8
111.00761	100.0
112.01099	4.7
117.01828	21.2
119.64425	1.3
122.11369	1.2
123.51337	1.2
129.01848	11.0
131.78738	1.3
140.21719	1.5
154.99739	15.4
173.00818	21.6
174.01283	1.5
176.01056	2.2
191.01912	13.0
191.03517	2.5
191.05516	5.8
191.10687	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	191.0189
Annotation	(2S,3R)-2,3-Dihydroxy-5-oxohexanedioate
Peak:m/z	Relative Intensity
57.03322	6.8
58.03658	0.2
59.01248	1.0
67.01756	1.9
67.43091	0.1
68.02119	0.1
68.99696	0.1
69.85176	0.1
69.85586	0.3
71.01265	0.4
71.30367	0.1
72.99174	0.9
73.02814	0.6
78.95805	0.1
83.01251	0.3
85.02820	32.5
86.03154	1.1
87.00747	53.6
88.01078	1.3
92.95863	0.4
98.20370	0.1
99.00768	0.4
101.02334	0.6
103.00235	0.2
103.03864	0.4
111.00759	100.0
112.00463	0.1
112.01097	4.1
117.01801	0.4
129.01828	5.2
130.02170	0.2
130.99780	0.6
147.02841	0.6
148.01631	0.1
148.94881	0.6
154.99759	0.8
173.00833	1.6
173.04172	0.1
176.01039	0.1
191.01897	8.3
191.05495	0.6
191.10695	0.1
192.02266	0.4
202.76262	0.1
204.39642	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	189.0763
Annotation	3-HYDROXYSUBERIC ACID
Peak:m/z	Relative Intensity
52.01361	0.6
52.32184	0.6
55.89313	0.5
57.03302	1.4
59.01252	4.0
65.01292	1.5
65.99696	2.3
67.02874	0.6
69.32578	0.5
69.53742	4.7
69.67780	0.6
71.04877	2.1
83.01233	0.6
85.06445	1.6
86.27097	0.5
91.02862	0.6
99.08037	27.7
100.08340	1.2
105.04495	0.7
106.04012	1.2
109.02840	0.6
113.09609	4.4
117.03366	1.8
118.02905	0.8
119.02415	1.2
119.04939	3.2
119.05746	0.6
119.78374	0.6
120.04462	3.1
121.02798	0.7
122.03583	0.6
123.08006	0.7
127.07550	29.7
128.07863	1.6
129.05472	100.0
130.04152	0.5
130.05794	3.3
131.03659	1.7
131.04912	1.1
132.04468	2.3
132.05571	0.6
134.03600	0.8
135.04446	2.4
141.09135	1.2
143.07036	0.7
143.10681	16.2
144.04369	3.7
144.11009	1.0
145.02840	1.7
145.08606	4.6
146.02383	2.0
146.03531	1.2
146.05968	1.6
147.04410	2.1
147.06662	1.5
148.04930	2.3
149.02341	1.1
150.03099	0.8
160.03914	1.0
161.02341	1.5
161.06018	1.2
162.03043	1.5
162.05441	1.3
162.06660	1.7
163.03961	3.2
163.05055	0.7
164.03473	1.0
171.03023	0.6
171.06534	6.3
172.03964	1.1
189.01872	1.5
189.04083	1.5
189.05588	2.7
189.07645	35.1
189.11244	22.9
189.12967	1.0
190.01413	0.9
190.04936	4.3
190.08087	1.6
190.11581	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0191
Annotation	D-Glucaro-1,5-lactone
Peak:m/z	Relative Intensity
55.10375	0.3
57.03326	3.5
59.01242	1.6
65.01304	0.7
65.99728	0.7
67.01758	1.4
68.01268	0.7
69.48138	3.2
70.02850	0.6
70.80206	0.3
71.01229	0.6
72.99179	20.3
73.02817	21.2
74.03157	0.9
75.00780	0.4
75.11208	0.4
78.74306	0.5
83.01275	2.0
85.02823	40.6
86.03167	1.2
87.00748	7.1
87.45793	0.3
98.19839	0.8
99.00735	3.5
101.02319	3.1
103.03902	1.1
106.03985	0.6
111.00763	100.0
112.01105	4.0
117.01826	18.4
118.02150	0.7
119.01245	0.4
119.04936	0.5
121.02847	0.7
121.03959	0.6
122.03519	0.8
129.01828	9.4
130.02213	0.5
134.03531	0.6
147.00726	0.4
147.02867	0.7
147.04427	0.6
148.01553	0.5
148.05084	0.5
149.04559	0.7
154.99770	14.4
156.00105	0.9
164.04591	0.6
166.97198	0.4
173.00833	17.7
174.01231	0.9
176.01045	2.7
191.01894	11.6
191.03487	1.8
191.05580	3.8
191.07104	0.7
191.10622	1.7
192.02646	0.5
213.96979	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0757
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
57.03309	0.2
58.90881	0.1
59.01223	0.5
61.98692	0.2
61.99016	0.1
65.01306	0.2
65.99674	0.1
69.26338	1.4
72.49072	0.1
72.81479	0.1
74.69698	0.1
89.39913	0.1
90.97018	0.2
94.71358	0.1
95.53069	0.1
97.06438	0.4
98.19664	0.1
106.04026	0.1
123.08026	0.4
125.08724	0.3
125.09614	4.2
126.09967	0.2
132.98137	0.2
133.03969	0.1
141.86705	0.6
144.04456	0.2
144.05704	0.5
145.05067	0.3
158.03636	0.2
159.01425	0.2
159.04370	0.2
159.08060	0.3
159.87808	0.6
160.05032	0.3
169.08730	0.2
172.05209	23.5
173.05551	1.8
174.03172	0.1
186.03174	0.5
186.85680	0.2
187.03984	3.4
187.07573	100.0
188.04330	0.3
188.07913	9.0
203.03482	0.1
204.04201	5.5
205.04575	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0969
Annotation	Nonanedioic acid
Peak:m/z	Relative Intensity
57.03333	3.4
57.98441	0.6
59.01262	1.5
65.01323	1.1
68.16692	0.6
68.17049	0.7
70.23653	1.3
70.24073	2.1
72.80588	0.6
80.15791	0.7
83.04883	1.0
83.95684	0.6
95.04936	1.0
97.06464	12.1
111.08073	0.7
114.22328	0.7
123.08062	6.2
125.09614	100.0
126.09946	3.7
130.03947	0.7
133.03993	1.1
143.10707	2.3
145.08589	1.1
160.05107	3.0
169.08635	2.1
175.24936	0.7
187.06158	2.4
187.09686	39.2
188.10051	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	187.1333
Annotation	[1S-(1a,2a,3b,4b)]-1-methyl-4-(1-methylethyl)-1,2,3-Cyclohexanetriol
Peak:m/z	Relative Intensity
53.13743	0.4
55.01716	0.4
57.03327	1.1
59.01244	1.9
65.01324	2.6
65.99721	1.2
67.02840	0.5
71.01266	0.5
71.57587	0.6
73.02844	0.5
83.04911	0.5
89.01365	0.5
90.97012	1.0
91.02891	1.2
97.06493	2.1
105.04451	0.6
106.03986	0.7
116.01379	0.4
116.02428	0.8
118.03990	1.2
119.02380	0.9
119.06023	0.5
122.03416	0.7
123.08055	1.5
125.08740	0.9
125.09624	16.8
126.09982	0.6
130.04042	1.3
130.09947	0.4
132.05550	0.6
132.98138	0.8
133.03958	3.2
141.09081	0.7
141.12750	8.6
142.03944	0.6
143.04941	0.8
144.04391	1.3
144.05553	1.0
145.04100	0.5
145.05051	2.3
146.03519	1.2
147.04283	1.7
157.05138	1.0
159.03093	0.6
159.04399	0.8
160.03972	0.5
160.05099	5.4
161.03419	0.6
161.04570	1.1
168.88809	0.6
169.08641	0.7
169.12268	3.0
172.03880	0.6
185.11801	0.9
185.14255	0.5
186.95525	0.7
187.03938	1.9
187.06172	6.4
187.09763	9.0
187.13330	100.0
188.03435	1.2
188.13664	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	185.1176
Annotation	Epomediol
Peak:m/z	Relative Intensity
53.79047	0.6
57.03303	0.5
59.01251	19.8
62.07433	0.5
65.01309	1.3
71.01264	1.9
71.04890	2.7
71.38033	1.2
85.02830	1.0
96.43212	0.5
97.06506	0.7
111.07990	1.1
115.03893	48.8
116.04224	1.8
121.05083	1.1
122.52795	0.6
125.57965	0.6
126.99434	1.1
130.79858	0.5
132.05545	0.9
139.11188	1.4
141.09068	0.9
141.12737	1.5
144.05530	1.1
158.03540	0.8
167.10670	8.9
183.10187	1.5
185.11749	100.0
186.07889	1.0
186.12093	8.1
188.80551	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1176
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
57.03320	2.4
57.57448	0.4
58.00448	0.6
58.02842	0.5
59.01244	0.9
64.01745	0.4
65.01321	2.4
65.99715	1.3
66.00839	0.7
69.03326	0.6
69.57766	3.1
71.04896	0.4
81.04439	0.5
81.06995	0.6
89.01350	0.5
91.02904	1.0
92.02409	0.5
98.02338	0.4
105.48287	0.5
106.03982	0.7
113.09563	0.5
115.02852	1.0
116.02415	1.3
121.05109	1.5
123.08002	0.6
125.09645	2.1
127.11163	1.9
130.03998	0.7
131.06096	0.4
132.05586	1.0
139.11159	0.7
141.09074	1.4
141.12746	4.2
143.03500	0.6
144.01958	0.7
144.04408	0.4
144.05583	1.2
155.10661	1.7
157.05132	0.8
158.03537	2.4
158.04604	0.6
158.07112	0.5
159.06686	1.1
167.10699	0.7
185.04607	1.1
185.11755	100.0
186.07782	0.9
186.12119	8.9
194.19604	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1129
Annotation	8-Amino-7-oxononanoate
Peak:m/z	Relative Intensity
57.03311	3.7
58.02845	2.9
61.19852	1.3
62.70298	1.2
65.01319	3.6
65.99725	2.2
70.14866	3.3
70.15262	3.0
72.99158	2.2
87.04381	1.6
87.86751	1.3
89.01301	1.6
91.02905	1.7
97.06476	8.4
99.84650	1.2
100.93528	1.4
109.02766	1.3
111.08046	1.5
115.02847	1.8
118.03997	2.3
119.02438	2.5
123.08059	8.5
125.09617	100.0
126.09962	3.8
132.05556	2.1
133.03943	2.1
141.09125	3.7
142.04022	1.6
142.12297	6.3
143.04909	2.4
144.05568	2.3
147.04245	2.1
157.05109	2.4
159.04376	2.7
159.06621	3.3
160.05086	9.7
168.10178	3.2
186.05409	4.1
186.11282	69.8
187.03835	2.2
187.06242	6.4
187.09694	11.9
187.11461	2.8
190.35153	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	183.1382
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
59.01230	0.7
61.51833	0.4
63.65234	0.4
69.95117	1.7
71.01234	0.4
83.65971	0.5
121.96410	0.4
156.05550	0.4
157.05124	0.6
174.38063	0.4
183.13832	100.0
184.14191	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	185.0211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74207	0.7
59.01233	1.9
60.96390	0.8
65.00188	3.0
71.01266	1.2
71.45716	1.6
78.95776	78.4
87.00815	0.7
97.06480	1.0
97.21767	0.8
100.03885	1.1
109.93282	0.8
110.98410	100.0
111.98785	0.9
124.98645	1.8
125.31977	1.0
141.09108	4.5
142.99826	0.9
152.98343	1.4
152.99493	5.5
185.02132	26.0
185.08067	1.3
185.11734	6.1
186.02284	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1176
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
57.03329	3.2
59.01244	0.7
65.52433	0.4
69.03308	0.9
69.36924	1.1
69.37349	2.8
79.68446	0.4
84.05409	0.4
99.48895	0.4
119.87616	0.4
121.05108	0.5
123.08047	0.8
125.09616	2.3
128.24641	0.4
136.16925	0.4
141.09126	2.2
141.12767	3.7
142.13080	0.4
155.22266	0.5
174.67911	0.5
185.11765	100.0
186.12135	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	185.1175
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
50.59201	0.3
55.86418	0.3
57.03318	0.5
59.01237	1.6
65.01316	1.7
65.99710	0.7
66.00847	0.4
69.03281	0.3
71.01247	0.6
71.04870	0.5
72.99186	0.3
83.04886	0.4
85.02820	0.6
90.00844	0.4
91.02911	0.6
97.06469	0.4
98.02336	0.4
116.02430	0.6
117.04427	0.5
119.29556	0.3
120.05569	0.4
121.05087	2.2
123.08055	1.8
125.09589	0.8
131.01183	0.4
132.05560	0.4
139.11188	1.3
141.09097	2.9
141.12764	2.2
142.04085	0.5
144.01978	0.5
144.05551	1.0
145.02719	0.6
145.03821	0.4
145.05072	0.3
149.09642	1.1
155.10683	6.3
156.11008	0.5
158.03493	1.6
158.07082	0.7
159.03087	0.7
159.05513	0.7
159.06654	0.9
167.07050	0.5
167.10690	12.7
168.11024	1.4
170.05869	0.4
183.10146	0.7
185.04570	1.6
185.08403	2.2
185.11754	100.0
186.07770	1.0
186.12144	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	183.1383
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
69.26538	4.0
71.01256	0.4
71.90360	0.4
74.52012	0.5
93.51442	0.4
112.03939	0.6
124.01546	0.6
124.03904	0.4
139.00316	0.4
156.05539	0.8
157.05110	1.1
168.00447	0.6
183.02904	1.1
183.13820	100.0
184.14180	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	183.1019
Annotation	1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one
Peak:m/z	Relative Intensity
54.36194	2.7
57.03330	5.5
59.01251	6.8
59.98388	8.9
65.01330	7.9
67.01766	3.8
69.03317	5.0
69.85122	3.8
70.32913	10.5
71.01259	3.3
71.04891	5.6
82.56291	2.7
83.04903	12.8
85.02843	4.3
89.01347	4.4
91.02890	3.3
95.01266	3.6
95.04899	4.3
97.85227	2.7
98.02309	4.2
99.04400	18.5
109.06499	3.4
111.00777	4.4
112.03952	4.3
116.02452	2.6
121.06461	3.1
121.10119	4.6
124.01562	4.5
124.03964	3.1
130.03996	4.5
131.80725	3.2
137.09607	10.1
139.04980	2.8
139.07588	3.1
139.11209	15.2
140.01201	3.1
142.03993	4.5
143.04767	4.7
155.20972	3.1
156.05551	18.6
157.03967	3.4
157.05067	15.1
165.09122	7.0
168.00566	7.3
183.02966	17.0
183.06738	20.1
183.10201	100.0
183.13770	5.1
184.06223	5.8
184.10535	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	179.0554
Annotation	1D-chiro-Inositol
Peak:m/z	Relative Intensity
54.65852	0.8
55.01759	1.0
56.49066	0.8
57.03324	1.5
58.00468	2.5
58.34163	0.9
59.01253	34.3
69.03329	2.2
70.15556	1.3
70.15961	2.5
71.01254	29.1
71.04905	2.5
72.99183	10.6
73.02821	9.5
75.00749	100.0
76.01073	1.7
81.03342	4.7
83.01271	3.0
85.02822	10.7
87.00756	38.6
88.17481	1.1
89.02324	9.1
95.01260	1.2
95.40436	0.8
97.02830	4.5
99.00757	12.9
99.04393	1.8
101.02325	4.1
113.02339	2.0
117.01827	6.6
119.65719	0.9
125.02345	6.2
135.04382	1.5
141.01822	1.7
143.03445	5.5
159.02904	1.6
161.04474	20.8
179.05539	54.8
180.05832	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	181.0136
Annotation	4-Hydroxyphthalate
Peak:m/z	Relative Intensity
50.36349	0.3
59.01239	1.3
70.07980	1.7
70.95113	0.3
71.01246	1.6
73.02803	0.3
85.02820	0.5
89.02312	1.1
93.03337	100.0
94.03671	3.3
97.02803	0.5
98.19826	0.5
101.02325	1.8
109.02837	0.7
109.06464	0.3
123.00765	0.7
137.02342	9.1
137.09601	0.4
138.02747	0.6
139.03978	0.5
139.82239	0.3
151.00264	3.3
151.03897	0.8
153.01865	0.5
161.49557	0.3
166.02652	5.1
181.01350	22.4
181.04837	2.1
181.07053	1.2
181.08598	0.8
182.01707	1.0
182.04317	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0343
Annotation	5,7-dihydroxy-4-methylphthalide
Peak:m/z	Relative Intensity
51.21298	0.8
55.01752	3.5
57.03318	3.4
59.01251	23.6
63.02268	1.9
65.00198	1.7
65.99730	1.7
67.01778	1.5
68.01283	1.0
68.99713	1.6
69.03333	7.1
69.45621	8.0
71.01253	34.2
72.99181	3.0
73.02811	10.2
75.00745	3.0
79.01776	1.0
81.03316	1.2
81.04471	0.8
82.00437	0.9
82.03973	1.8
83.01270	6.9
83.02386	1.8
85.02821	21.8
87.00753	100.0
88.01105	2.0
89.02326	9.0
91.01775	3.6
92.02560	1.6
93.03335	1.7
94.02876	1.9
95.01266	18.2
95.02341	1.3
96.00781	1.0
96.01621	1.2
96.96861	1.3
97.02831	9.8
97.03945	1.1
99.00760	26.0
100.01025	1.0
101.02322	11.8
101.87780	1.0
105.01851	1.3
107.01260	4.7
107.04907	3.1
108.02055	67.5
109.02879	2.5
109.03962	4.4
110.03485	1.8
111.00793	2.0
113.02322	5.4
117.01831	14.3
118.04042	1.8
119.01308	2.8
120.02000	1.6
121.02846	12.2
122.03358	1.2
123.00783	3.9
123.04453	0.9
125.02345	14.1
129.01848	2.3
135.00739	1.4
135.04405	9.8
136.01556	25.2
136.03915	1.0
136.05081	2.5
136.93939	1.1
137.03532	1.1
137.04617	1.8
141.01820	7.0
147.02948	0.9
151.00281	3.1
151.03917	12.3
151.07556	2.7
152.03416	1.3
152.04518	1.3
159.02863	4.7
161.04474	53.1
162.04762	1.1
164.01091	5.7
164.04747	1.4
169.01334	2.3
176.57657	1.0
177.03949	2.2
179.00018	5.6
179.03426	92.1
179.05528	56.3
179.07007	7.9
179.10699	2.1
180.03764	4.3
180.05829	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0343
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
55.01763	0.4
57.03303	0.5
59.01251	4.2
65.01266	0.5
69.03319	1.0
71.01254	4.8
71.11251	0.6
72.99171	0.7
73.02816	1.4
75.00746	0.9
81.03346	0.6
81.04467	0.4
83.01270	1.2
85.02832	3.1
87.00751	12.6
89.02322	1.5
89.03827	0.5
91.05415	1.3
93.03336	1.0
95.01275	0.8
97.02833	1.4
99.00768	3.9
101.02340	1.5
106.04101	0.8
107.01292	0.4
107.04898	3.0
108.02035	1.6
108.04455	0.4
109.02835	2.7
109.03951	0.5
113.02297	0.9
117.01818	2.6
117.03349	0.7
118.03906	0.7
121.02841	0.8
122.03572	0.3
125.02319	1.9
129.01825	0.4
133.02859	0.6
134.03650	7.3
135.04419	100.0
136.04770	4.6
137.02370	0.4
141.01811	1.1
146.03580	0.6
151.00273	0.5
151.03896	0.5
151.07535	0.9
152.04506	0.4
159.02950	0.5
161.04475	7.7
164.01077	1.0
177.04034	0.3
178.99873	0.5
179.03426	14.1
179.05539	9.1
179.07025	1.1
180.03828	1.0
183.13081	0.3
187.90654	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0342
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
50.89310	0.2
55.50039	0.2
59.01250	1.3
65.01298	0.2
68.01297	0.2
69.03328	0.2
70.34225	0.6
71.01254	1.3
73.02811	0.7
82.03981	0.2
83.01284	0.2
85.02819	1.0
87.00749	4.8
89.02315	0.6
89.03869	0.3
91.05399	0.6
93.03356	0.4
94.02866	0.2
97.02833	0.5
99.00763	0.8
101.02328	0.6
107.04903	1.7
108.02051	0.3
113.02319	0.3
117.01839	1.0
117.03349	0.6
125.02380	0.8
125.03289	0.1
134.03633	6.3
135.04413	100.0
136.04749	6.4
141.01814	0.5
147.30463	0.2
151.07573	0.3
159.02922	0.2
161.04471	2.8
164.01060	0.5
179.03423	16.0
179.05505	3.2
179.07021	0.5
180.03860	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0343
Annotation	Aspirin
Peak:m/z	Relative Intensity
54.50635	0.1
55.01755	0.5
57.03326	0.7
58.00465	0.3
59.01253	4.1
65.00201	0.3
65.01328	0.3
65.03812	0.2
65.99720	0.6
66.03356	0.2
67.01762	0.4
67.02893	0.2
68.01319	0.2
68.76807	0.2
68.99693	0.5
69.03322	0.9
69.58796	0.8
69.59227	0.6
71.01259	6.4
72.99184	0.7
73.02815	2.0
75.00760	0.8
76.66094	0.2
81.03330	0.8
81.04488	0.3
82.02855	0.2
82.03992	0.4
83.01265	1.2
83.02360	0.3
85.02837	4.1
86.03150	0.2
87.00755	17.6
89.02319	2.0
89.03867	0.4
91.01772	0.3
91.05406	1.4
93.03352	1.3
93.03831	0.2
94.02867	0.6
95.01263	1.0
95.02406	0.3
95.04894	0.3
96.00784	0.3
96.99157	0.2
97.02837	1.7
97.03946	0.3
98.02357	0.4
99.00161	0.4
99.00764	5.3
99.01772	0.2
101.02339	2.1
106.04090	0.8
107.01293	0.5
107.04919	5.6
108.02061	2.3
108.04454	0.3
108.05492	0.2
109.02853	2.6
109.03976	0.7
109.06474	0.7
109.47095	0.2
110.02393	0.2
110.03481	0.3
111.00784	0.4
111.01933	0.2
113.02323	1.0
117.01832	3.0
117.03310	1.0
118.04003	0.6
121.02808	0.4
122.03527	0.4
123.00762	0.6
123.04420	0.6
125.02345	3.2
125.03299	0.3
129.01822	0.6
133.02876	0.2
134.03636	8.3
135.04422	100.0
136.01584	0.4
136.04759	5.4
137.02411	0.2
137.03473	0.5
137.04515	0.5
141.01834	1.6
151.00308	0.3
151.03937	0.7
151.07574	0.8
152.03439	0.2
152.04547	0.5
159.02924	0.7
161.04472	9.7
161.09659	0.4
162.02995	0.2
164.01079	0.7
164.04680	0.3
169.01376	0.3
178.99792	0.7
179.03427	13.0
179.05542	10.2
179.07039	1.5
179.10690	0.6
180.03920	0.7
180.05937	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53716	0.3
53.14764	0.4
55.01755	0.5
59.01248	4.4
69.03316	1.2
69.88993	1.8
71.01250	6.5
72.99169	0.7
73.02818	2.7
74.78541	0.3
75.00744	0.5
81.03347	0.5
83.01262	1.1
85.02816	5.0
87.00745	20.3
88.01070	0.4
89.02297	1.5
95.01268	0.8
97.02831	2.0
98.19735	0.3
99.00752	6.5
101.02288	2.0
109.02844	0.5
111.00745	0.4
113.02319	0.6
117.01820	3.5
119.93611	0.4
121.02808	0.7
123.00806	0.3
125.02321	3.3
129.01788	0.7
134.95990	1.7
135.04372	0.7
135.08055	0.4
136.93898	100.0
137.93973	9.9
141.01823	1.4
148.01973	0.4
151.03882	0.5
151.07565	1.5
151.92601	10.0
152.92690	0.9
154.94925	1.4
159.02895	1.0
161.00748	0.5
161.04454	9.4
161.05789	0.5
162.04810	0.7
164.01060	1.4
164.04707	0.6
168.35330	0.4
177.03951	0.5
178.94974	47.7
179.03392	0.6
179.05537	11.4
179.07045	1.7
179.95073	5.1
180.05920	0.3
196.96024	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	4.1
59.01250	12.7
60.99194	0.9
66.03357	3.0
69.03319	1.9
70.02863	4.9
71.01257	9.4
71.56381	1.2
72.99164	1.6
73.02817	7.6
74.02344	33.6
75.00738	3.9
78.03356	1.3
78.95778	17.6
81.02076	3.9
84.04420	1.6
85.02827	11.0
86.02351	7.6
87.00750	8.5
89.02316	2.3
93.03336	1.1
94.02859	10.5
96.04430	38.2
97.02831	5.9
98.02354	2.9
99.00758	4.1
100.03952	3.9
101.02324	2.1
103.03890	2.8
111.00766	1.9
112.03854	0.8
114.05493	1.8
115.03910	5.7
116.03429	20.9
116.08851	0.7
117.01854	1.1
122.02370	4.3
128.03450	1.7
129.01839	5.9
133.02827	0.9
140.03465	1.0
141.01912	0.8
147.02942	1.5
148.01523	1.0
158.04506	11.2
158.92413	3.6
159.02882	3.4
162.03136	1.8
176.05563	100.0
176.93507	2.6
177.01857	0.8
177.03961	3.2
177.05817	4.4
186.06029	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0709
Annotation	Methyl indoline-6-carboxylate
Peak:m/z	Relative Intensity
57.97446	0.7
59.01233	1.1
65.01315	1.3
65.70509	0.5
65.99710	2.4
67.02901	0.5
68.01283	0.7
71.01254	1.1
71.20832	0.7
71.21156	0.7
81.04470	0.8
88.03611	0.4
90.03375	2.7
91.02896	0.8
92.02433	0.8
93.03343	2.2
94.02831	0.4
95.02422	0.5
99.00746	0.7
99.44281	0.4
104.04961	0.5
105.03342	1.1
105.04489	0.5
106.04028	1.0
107.02393	1.1
107.04875	0.6
108.01973	0.5
109.02860	0.7
109.03955	0.4
109.07588	0.6
116.04948	1.4
117.03340	5.0
118.02858	1.3
118.03790	0.5
118.38258	0.4
118.72933	0.4
120.04400	0.5
120.28625	0.5
121.02844	3.4
121.03908	0.5
121.74852	0.4
131.03728	0.4
132.04474	0.9
133.02809	1.8
133.03912	0.7
133.05200	0.8
133.06497	1.0
134.02515	0.6
134.03525	2.7
134.06073	0.9
135.04485	0.5
135.05539	1.0
135.06676	0.8
136.01538	0.9
137.02341	1.0
141.84782	0.4
144.04454	100.0
145.03001	0.6
145.04848	7.8
146.06015	2.3
146.89931	0.5
147.03178	0.5
147.04323	0.6
148.03928	1.3
148.05054	0.6
149.02350	6.1
149.03493	1.5
149.04475	0.5
150.02878	0.7
162.03162	2.8
162.05513	30.6
163.05890	1.7
176.03401	6.4
176.07080	13.9
177.01868	2.3
177.04045	1.4
177.05467	2.3
177.07733	1.0
177.09058	0.5
188.03491	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0968
Annotation	Metaldehyde
Peak:m/z	Relative Intensity
50.00224	0.7
59.01250	12.4
64.01799	1.2
65.01320	8.8
65.99727	5.2
66.00846	1.2
66.03397	0.7
67.02884	2.3
68.01272	1.9
69.35633	6.1
71.01257	1.9
72.77328	0.7
72.99184	100.0
73.02809	0.8
73.99516	1.1
75.00749	59.4
75.44714	0.6
77.01311	0.8
80.04925	1.4
81.04467	1.0
82.02876	1.0
82.03988	1.3
85.02838	1.1
85.06487	1.1
87.00760	2.3
87.23969	0.6
91.02924	3.2
92.01289	1.0
92.02422	2.7
93.03349	1.0
93.11618	0.7
94.04007	0.7
95.02415	1.5
99.08037	2.3
100.85336	0.6
104.02524	2.5
104.66646	0.7
105.03188	1.2
105.04473	3.3
106.03996	6.3
107.02412	2.1
108.02010	0.7
109.03940	1.2
113.05968	0.7
115.00262	2.9
115.03912	2.2
118.04005	1.5
120.01916	0.8
120.05576	1.5
121.02819	1.0
121.03964	2.2
122.03483	0.9
127.07513	0.8
129.09122	8.0
130.04031	1.6
132.02007	1.1
132.04619	0.8
132.05576	2.7
132.98102	2.2
133.02937	1.2
133.03978	5.0
133.05095	5.2
134.03502	11.2
135.01927	0.6
135.04266	1.5
145.05116	4.3
146.03513	0.7
147.04474	3.4
147.05479	0.7
147.06604	1.7
148.01503	2.3
148.03929	1.1
148.05063	8.7
149.03444	1.9
157.05064	1.8
159.08076	0.7
161.04697	0.7
174.88930	1.7
175.02492	3.0
175.03902	4.0
175.06296	9.8
175.09682	79.2
176.01073	1.6
176.03310	1.2
176.04568	2.2
176.05769	1.2
176.09998	4.6
176.11368	0.7
188.10529	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	10.9
58.00403	5.3
59.01257	31.5
67.11463	6.4
68.99681	6.9
70.36328	21.5
71.01257	34.9
72.99163	14.8
74.02343	19.3
75.00736	25.4
77.92311	6.7
85.02806	17.2
87.00754	55.9
89.02306	7.3
96.04433	20.5
99.00772	9.6
111.00737	7.5
115.03889	11.0
116.03390	20.0
116.04235	23.3
129.01828	17.5
132.08199	6.1
133.02858	24.9
133.04938	10.6
133.06467	16.7
134.05293	25.1
135.04407	8.7
147.02893	8.9
158.04495	6.4
159.02893	9.6
162.03134	47.6
172.41135	7.1
176.05545	100.0
177.01846	30.0
177.05402	32.0
177.07620	13.5
177.09052	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	175.024
Annotation	L-xylo-hex-3-ulono-1,4-lactone
Peak:m/z	Relative Intensity
57.03340	3.0
59.01249	23.6
69.86572	14.2
71.01250	41.8
71.04867	2.6
72.99173	4.4
73.02827	3.5
85.02808	4.5
85.06467	7.9
87.00750	100.0
104.02591	3.2
112.98686	5.3
113.05965	9.5
115.00256	95.0
115.03898	22.4
127.00216	3.9
131.04865	3.3
131.07037	3.3
147.04385	5.4
148.01517	2.8
148.03860	2.3
149.61725	2.3
157.04907	2.5
173.51675	2.6
175.02426	20.9
175.03912	7.6
175.05991	9.2
175.07335	3.2
175.09775	4.0
176.01047	3.6
176.03372	5.7
183.37996	2.2
184.57919	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	175.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.3
59.01254	6.2
63.72375	0.6
65.01333	0.7
70.14784	2.9
71.01261	2.1
72.99170	1.7
73.02820	0.7
73.40398	0.5
74.96954	0.6
75.14824	0.6
85.06464	43.1
86.06789	1.2
86.35381	0.6
87.00759	4.8
87.04390	1.9
104.02554	0.9
113.05971	36.2
114.06324	1.5
115.00283	3.4
115.03900	100.0
116.04242	2.5
121.70051	0.5
129.05495	1.4
131.07045	8.3
134.03519	0.6
147.04391	0.8
148.01579	1.4
150.18230	0.7
152.91446	0.7
157.04977	9.2
158.53615	0.7
160.03398	0.6
161.04752	1.1
175.02534	1.6
175.06050	44.9
176.01120	1.4
176.03430	1.4
176.06393	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	175.0605
Annotation	(R)-2-(n-Propyl)-malate
Peak:m/z	Relative Intensity
55.02129	0.4
57.03332	1.8
57.15640	0.5
59.01254	7.3
71.04880	1.3
71.06559	1.2
72.99166	0.6
74.27378	0.7
76.63168	0.5
77.81586	0.5
81.09527	0.5
85.02844	0.6
85.06462	43.9
86.06802	1.6
87.00746	2.6
87.04404	1.8
88.98647	0.5
104.02528	0.7
113.05969	38.7
114.06326	1.6
115.00258	2.2
115.03896	100.0
116.04225	4.3
126.90401	0.5
129.05472	1.5
129.09111	2.2
131.07039	8.5
141.44196	0.6
147.04259	0.6
148.01530	1.0
148.05080	0.6
157.04990	7.0
175.06036	40.0
175.09642	1.9
176.06358	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	175.024
Annotation	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate
Peak:m/z	Relative Intensity
51.13063	1.0
57.03321	2.2
58.00470	1.5
58.02853	5.2
59.01251	32.5
59.03159	1.2
61.98712	1.4
64.09300	0.9
64.15828	1.0
66.03335	1.3
68.99698	2.2
69.03319	5.3
69.34480	1.0
70.02850	6.1
70.62108	1.0
70.92515	3.1
71.01252	30.9
71.04916	1.0
72.00775	1.6
72.01597	1.3
72.99174	11.9
73.02814	8.7
74.02345	26.0
75.00742	10.9
81.02069	3.0
83.01237	3.6
84.04424	1.8
84.99221	1.0
85.02811	7.2
86.02348	8.0
86.06017	2.6
87.00747	41.4
87.04412	1.4
88.03916	2.5
89.03445	2.2
94.02863	9.9
95.01260	1.4
96.04422	30.1
96.99181	2.4
98.02355	3.1
99.00745	8.9
100.03935	4.6
100.07568	3.0
101.02306	3.5
101.07910	4.5
101.96665	1.2
102.05522	1.2
103.00262	4.2
104.03397	1.5
105.01894	1.3
111.00736	1.5
112.03893	1.5
112.98685	1.3
113.02332	3.3
113.05956	1.2
114.05460	1.1
115.00253	27.0
115.03893	13.3
116.03422	23.6
116.04213	1.9
117.01797	11.1
118.97974	1.1
122.02386	2.4
124.98702	4.7
127.00269	7.2
128.03423	1.1
128.07066	2.6
129.01842	1.6
129.07407	11.8
130.99751	4.0
131.03482	1.5
132.06555	2.9
133.01393	1.2
133.04958	16.7
133.06834	1.3
140.03432	2.6
142.99706	1.8
145.01306	2.0
147.04369	1.3
157.01350	1.8
158.04488	10.6
174.82753	3.0
175.02393	6.9
175.03891	3.2
175.06093	3.2
175.07959	14.1
176.03185	3.0
176.05560	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	173.1175
Annotation	2-hydroxynonanoic acid
Peak:m/z	Relative Intensity
64.01808	0.3
65.01313	1.0
65.30254	0.2
65.99732	0.3
67.01746	1.0
69.03333	0.3
69.75455	0.6
69.75858	1.3
71.01229	0.5
72.99183	0.4
73.02816	0.6
76.40822	0.2
83.01268	0.3
83.04903	0.4
83.43983	0.3
85.02814	0.7
93.03338	4.3
99.00768	0.5
105.04439	0.3
106.04015	0.4
111.00762	4.3
111.04357	0.7
111.08010	0.4
112.01123	0.3
119.02431	0.7
125.09605	0.3
127.11177	11.4
128.11505	0.8
131.03503	0.4
132.05571	0.4
146.03485	1.0
146.04494	0.3
146.07042	0.4
154.99780	0.4
155.10687	2.5
170.22098	0.3
171.10168	0.9
173.00847	0.3
173.04559	1.0
173.11745	100.0
174.06665	0.3
174.12085	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	173.0811
Annotation	Suberic acid
Peak:m/z	Relative Intensity
57.03328	5.8
59.01250	1.5
60.99172	0.4
65.01321	3.4
65.99717	1.5
66.00813	0.5
67.01762	4.3
67.02854	0.4
69.03312	1.3
69.70837	0.3
70.35910	0.3
71.01245	2.4
71.36292	0.3
71.41279	0.3
71.57673	0.4
72.99177	1.5
73.02808	1.5
74.02328	0.3
77.01311	0.4
81.03336	1.2
81.04443	0.3
83.01270	1.0
83.04894	15.2
84.05209	0.6
85.02818	3.8
87.00725	0.5
87.05528	0.5
89.01327	0.8
90.00832	0.5
91.02900	1.2
92.02455	0.5
93.03335	14.1
95.04913	0.3
99.00771	1.3
99.04416	0.3
101.02315	0.7
104.02426	0.3
105.04473	0.6
106.04000	1.4
108.01932	0.3
109.06470	4.8
111.00766	18.9
111.04397	1.3
111.08038	100.0
112.01089	0.8
112.08383	5.9
115.00272	0.5
116.02433	0.7
116.05000	0.4
118.04000	0.9
119.02409	3.0
129.01868	0.8
129.09103	5.7
130.02826	0.4
130.04016	1.5
130.06537	0.9
131.02582	0.4
131.03532	2.4
132.01927	0.6
132.05545	1.0
133.02769	0.4
133.03967	0.6
133.05058	0.4
137.00591	0.3
137.02316	0.5
142.99706	0.4
143.03554	0.7
144.04430	0.7
145.02859	0.5
145.04955	0.5
146.02370	0.7
146.03473	5.0
146.04469	0.4
146.06058	0.4
146.07164	0.7
147.01930	0.6
147.02975	0.5
147.03993	0.4
147.05576	0.5
147.06662	0.4
154.99770	2.0
155.07060	1.7
172.98300	0.9
173.00845	1.2
173.02304	0.5
173.04645	6.8
173.08142	34.4
173.11613	0.8
174.05403	1.1
174.06731	0.7
174.08499	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	173.0599
Annotation	1,8-Dihydroxy-3-methylnaphthalene
Peak:m/z	Relative Intensity
57.03318	0.6
59.01246	1.0
60.99163	0.5
62.28716	0.6
65.01306	1.7
65.03842	0.7
67.01759	5.3
69.03313	0.9
69.40062	4.5
71.01256	1.2
89.03848	0.5
91.05434	1.3
93.03336	16.3
94.03683	0.9
102.04624	2.6
103.05423	11.4
104.05721	0.6
104.43951	0.5
106.04041	0.6
109.06575	0.6
111.00745	0.8
111.04400	1.8
111.08032	2.1
115.05409	1.7
117.06992	3.7
119.02420	1.0
119.04917	0.5
124.58733	0.5
127.11167	1.0
129.06992	0.8
129.09193	0.5
130.04141	88.0
131.04506	4.2
131.08180	2.0
143.04930	8.7
144.05713	12.1
144.51227	0.5
145.06496	100.0
146.03528	1.4
146.06837	7.3
147.04413	1.7
155.04927	5.4
158.03658	1.4
159.04433	0.9
165.44795	0.5
173.02325	0.7
173.04536	2.1
173.05972	13.2
173.08188	0.9
173.11763	1.8
174.06427	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	173.0083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.9
57.03321	3.2
58.02829	1.9
59.01252	4.7
60.99173	1.0
67.01766	10.3
69.03337	1.6
71.01256	28.4
71.04932	1.1
71.57264	1.7
72.99171	6.4
73.02824	7.6
73.08678	1.0
81.03313	1.5
83.01266	7.6
83.04887	4.4
85.02827	19.7
85.06451	3.2
87.00727	2.2
93.03332	34.6
94.03694	1.5
96.99210	1.3
99.00759	11.4
99.04384	2.0
101.02324	3.1
111.00764	100.0
111.04402	7.3
111.08031	4.0
112.01123	4.3
112.98688	6.1
115.00252	0.9
118.53799	0.8
124.98679	5.6
128.07031	3.2
129.01782	2.9
129.05464	1.2
129.07411	7.7
131.08188	4.6
137.02325	2.4
142.99768	9.7
154.99794	8.6
173.00810	5.1
173.04469	3.4
173.06364	4.1
173.08110	2.5
173.09422	1.5
173.11760	1.9
173.70384	0.9
174.07654	1.2
187.04959	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0085
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90344	0.8
57.03319	2.9
59.01255	6.1
60.99166	3.6
65.01328	7.1
65.99717	3.5
67.01764	23.0
67.02885	0.9
69.03336	5.3
71.01265	6.2
71.57401	1.2
71.57788	0.9
72.99188	5.9
73.02823	2.0
77.01360	1.0
81.03329	2.1
83.01253	5.0
83.04907	2.6
85.02819	19.1
87.05482	1.3
91.02898	1.5
93.03339	72.7
94.03682	2.6
99.00764	4.4
101.02324	3.1
104.99197	0.9
105.77925	0.9
106.03960	2.3
109.02781	0.9
109.06470	1.0
111.00768	100.0
111.04404	8.0
111.08060	10.0
112.01102	4.0
115.00282	1.8
116.02398	1.4
118.03945	1.0
119.02399	4.0
127.11226	1.3
129.01828	2.4
129.09067	1.2
130.04018	3.4
130.06557	1.2
130.08652	1.3
131.03560	4.7
131.07167	0.8
131.08154	4.0
131.09019	2.2
132.05528	1.4
132.94116	0.9
133.02699	1.5
137.02440	0.9
144.04385	1.3
145.02843	3.8
145.05042	1.6
146.02455	1.7
146.03503	11.3
146.06006	2.0
147.01891	1.2
147.05521	1.4
154.99773	10.6
159.03185	2.0
173.00829	3.0
173.02290	2.8
173.04585	17.9
173.05991	2.0
173.08087	5.3
173.11774	4.4
174.01833	2.6
174.03119	1.4
174.05437	2.8
174.06740	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	173.0083
Annotation	cis-Aconitate
Peak:m/z	Relative Intensity
55.01744	4.2
57.03312	4.9
58.02840	16.2
59.01256	8.2
60.99163	2.6
65.03841	1.5
67.01757	16.3
68.99690	3.2
69.03316	3.5
71.01252	59.2
71.57172	1.7
72.01556	1.8
72.99189	9.8
73.02816	14.6
75.00741	2.3
81.03331	1.5
83.01256	11.7
83.04890	5.0
84.04420	1.2
85.02814	20.0
85.06466	5.0
86.05978	4.4
87.00748	6.0
93.03330	64.2
94.03661	2.1
96.99166	2.4
99.00762	20.9
99.04381	2.8
100.07556	15.6
101.02306	3.2
101.07910	1.4
109.02800	1.5
111.00761	100.0
111.03719	1.6
111.04404	17.5
111.08017	7.8
112.01083	3.9
112.98695	16.0
114.05481	1.9
114.74815	1.2
115.00250	5.9
124.98691	11.0
127.11132	1.6
128.07060	35.0
129.01834	6.0
129.05446	1.6
129.07430	14.1
129.10187	1.6
131.08148	23.7
132.06610	6.7
137.02338	5.4
142.99759	32.3
143.03415	1.7
154.94670	2.3
154.99768	8.8
155.03371	4.9
172.82986	4.6
173.00798	8.8
173.02316	2.8
173.04524	11.1
173.06326	7.7
173.08028	3.3
173.09325	9.0
173.11685	2.0
174.07640	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	173.0083
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01759	4.3
67.57717	0.2
68.02071	0.2
69.56773	0.8
69.57195	0.4
69.77490	0.2
72.99178	5.3
83.01258	5.0
85.02821	18.1
86.03170	0.5
93.03361	0.4
98.20406	0.2
99.00754	2.8
101.02319	3.1
105.72201	0.2
111.00761	100.0
112.01099	4.2
129.01833	2.4
133.97002	0.2
154.99765	12.9
156.00099	0.7
165.75641	0.2
173.00816	4.9
173.04550	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.5
65.01312	1.6
67.01762	5.6
68.38958	0.4
69.03323	0.5
70.93007	0.8
72.54559	0.4
72.99181	4.6
73.02819	0.8
83.01254	5.4
85.02822	16.7
86.03157	0.7
93.03327	5.3
95.87418	0.4
99.00758	2.4
101.02309	3.0
102.91167	0.4
105.04453	0.4
111.00762	100.0
111.04413	0.9
112.01083	4.4
119.02398	0.9
129.01846	2.3
146.03497	1.7
146.07231	0.4
150.63615	0.4
152.60332	0.4
154.99759	11.1
156.00127	0.6
173.00845	4.2
173.04579	2.5
173.08150	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53275	0.4
56.16561	0.5
56.47374	0.4
63.59692	0.5
66.70763	0.5
67.01751	3.7
69.82457	3.0
72.99181	4.7
83.01247	3.4
85.02824	17.5
88.69256	0.5
89.01380	0.6
93.03338	2.6
95.74029	0.5
98.20551	0.5
99.00738	2.4
101.02320	2.0
105.69141	0.6
111.00761	100.0
112.01086	3.8
113.66096	0.5
120.91753	0.5
129.01846	2.7
146.03476	1.3
154.99768	12.6
155.99969	0.8
173.00827	5.3
173.04625	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	173.0083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73550	0.3
59.01220	0.5
61.92393	0.2
65.01318	1.7
65.65951	0.3
65.99710	0.6
67.01762	5.1
70.33985	1.1
71.01244	0.4
72.99184	6.3
73.02822	0.8
75.00762	0.3
83.01255	4.7
83.04891	0.5
85.02821	17.3
86.03172	0.6
89.01302	0.4
89.09605	0.3
91.02875	0.3
92.02402	0.3
93.03338	5.7
93.09151	0.2
99.00758	2.4
101.02322	3.0
105.04477	0.5
106.03997	0.4
111.00764	100.0
111.04433	0.9
111.08016	1.1
112.01112	4.4
116.02409	0.3
118.04017	0.3
119.02412	0.9
129.01851	2.4
130.04015	0.6
131.03506	0.6
137.02309	0.3
144.04446	0.6
145.04993	0.3
146.03520	1.7
146.06047	0.4
146.07230	0.4
147.03142	0.3
147.04439	0.5
154.99773	12.1
156.00208	0.3
156.46849	0.2
173.00842	4.2
173.04547	3.0
173.05821	0.4
173.08162	0.7
173.11714	0.4
174.01747	0.4
174.05394	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0971
Annotation	N-Acetylisoleucine
Peak:m/z	Relative Intensity
51.43305	1.1
57.03334	2.1
58.02845	3.2
59.01268	1.4
59.41293	1.1
60.99208	1.2
65.01321	3.2
65.99726	1.9
67.01759	9.8
69.03331	1.8
71.01271	2.6
72.99184	1.8
73.02815	2.0
83.04907	1.7
83.07758	1.0
85.02823	2.0
86.39433	1.0
89.01323	1.6
93.03340	34.5
106.04023	1.8
109.02850	1.2
111.00758	7.9
111.04407	5.4
111.08047	3.3
116.04971	1.0
118.04050	1.2
119.02408	1.7
127.07544	1.0
128.10744	5.8
130.04041	2.4
130.08643	100.0
131.03526	1.3
131.08118	1.5
131.09004	3.6
144.04468	7.2
145.03967	2.1
145.05075	2.5
146.03520	4.6
155.03444	1.3
172.03899	2.5
172.05074	1.4
172.06290	2.1
172.09624	9.8
173.04587	6.7
173.05872	1.3
173.08109	1.9
173.11691	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	173.0083
Annotation	Unknow
Peak:m/z	Relative Intensity
63.94383	0.3
67.01754	3.3
69.03301	0.4
70.90504	0.4
70.90820	0.6
71.01256	0.6
72.99176	4.5
83.01260	4.4
85.02820	17.3
93.03357	2.9
99.00759	2.0
101.02323	2.6
111.00760	100.0
111.08067	0.4
112.01090	4.3
129.01848	2.4
154.99763	12.2
156.00122	0.8
168.27606	0.3
173.00847	4.7
190.98233	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28124	0.4
57.03310	0.7
58.02857	1.5
58.79520	0.5
59.01228	0.8
60.99168	0.6
65.01320	2.3
65.99715	0.9
67.01764	7.0
69.03334	1.3
69.21426	0.5
70.78049	1.2
71.01247	2.1
71.17929	0.5
72.99165	0.8
73.02810	0.6
75.34301	0.6
83.04907	0.6
84.91903	0.5
85.02802	1.1
89.01325	0.9
93.03339	22.0
96.64127	0.6
99.00764	1.2
106.03994	0.9
111.00760	5.2
111.04405	1.6
111.08038	2.4
113.53288	0.5
116.02428	0.8
119.02381	0.9
125.31137	0.5
127.11160	0.6
128.10716	2.8
130.04019	1.1
130.08635	100.0
131.03508	1.0
131.08139	0.6
131.09016	3.2
144.04451	3.6
145.02834	1.2
145.03973	1.5
145.05061	0.8
146.03502	2.3
146.58070	0.5
154.99796	0.5
155.03418	0.6
172.03871	2.4
172.06218	1.7
172.09659	10.6
173.02332	1.4
173.04536	4.2
173.08154	1.1
173.11699	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89728	1.3
55.01744	1.8
57.03314	4.6
58.02840	6.0
59.01248	2.9
60.99138	1.7
62.20130	1.3
67.01772	9.2
68.99676	2.3
69.03316	2.0
70.02856	1.6
70.07902	5.6
71.01257	49.0
72.99191	2.6
73.02815	2.7
74.02342	3.8
74.63837	1.7
83.01250	3.5
84.04429	3.1
85.02830	6.4
86.05992	2.5
87.00759	2.4
87.05508	2.6
93.03333	27.4
96.99190	2.6
99.00770	16.5
100.07570	8.2
110.05973	1.8
111.00771	53.0
111.04406	5.4
111.08032	3.4
112.98698	2.0
115.00278	3.4
124.98690	15.3
126.05517	2.3
128.07071	100.0
128.15131	1.4
129.01785	1.7
129.07417	4.2
130.05019	4.6
130.08591	2.9
131.08183	12.3
142.99774	21.8
150.79019	1.6
154.04942	1.4
160.74693	1.4
172.06071	63.7
172.10532	1.8
172.14177	1.7
173.00839	6.3
173.04477	2.8
173.06444	2.7
173.08026	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	172.0243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09365	0.7
55.01768	4.6
57.03320	8.0
58.02850	17.8
59.01247	3.6
59.03196	0.9
60.04420	1.0
66.03362	10.1
67.01750	7.0
68.04928	1.3
68.99686	3.4
69.03333	3.1
70.02856	5.4
70.08132	3.1
71.01253	79.2
72.00785	1.4
72.99184	24.3
73.02820	6.0
74.02338	4.7
74.88982	0.8
75.00755	3.0
78.95782	2.8
80.38573	0.7
80.99744	0.9
81.03334	1.3
82.02870	5.1
83.00804	1.2
83.01263	9.9
83.04883	4.5
84.04440	6.3
85.02827	19.3
85.06444	0.9
86.02357	2.0
86.05996	5.7
87.00751	15.8
87.05520	3.1
88.03919	2.2
93.03333	20.7
96.00821	1.4
96.96846	1.3
96.99209	2.4
98.02368	2.8
98.06030	1.6
99.00756	33.2
99.04399	1.9
100.07561	12.8
101.02357	1.5
110.02366	16.2
110.03087	1.6
110.05993	4.1
111.00765	56.4
111.04358	3.7
111.08064	3.6
112.00298	1.3
112.03941	3.9
112.98707	3.0
113.02339	1.2
113.67884	0.8
114.01871	1.1
115.00254	5.7
116.03438	1.7
124.98697	23.7
126.05495	4.1
128.03439	2.5
128.07068	100.0
129.01822	4.8
129.05469	0.7
129.06570	0.9
129.07413	2.9
129.10265	0.9
130.05002	5.2
130.06941	2.6
130.08632	0.9
131.08159	35.2
137.02359	1.4
142.99765	34.1
143.36739	0.8
144.02971	0.9
144.04533	0.9
150.02420	0.7
154.05029	2.5
154.99763	4.3
155.03432	0.8
155.04596	1.8
169.69887	0.8
172.02478	11.4
172.06070	66.2
172.07846	2.4
173.00845	11.3
173.02325	1.7
173.04449	1.9
173.06522	1.5
173.07991	1.3
173.09248	8.3
173.10481	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40048	0.9
55.01754	2.2
57.03316	3.7
58.02850	12.8
59.01243	3.3
60.04395	1.8
67.01767	2.8
69.03320	2.4
70.02839	3.4
71.00886	2.1
71.01251	23.0
71.57059	1.2
71.57439	1.0
72.00792	1.1
72.99187	4.0
73.02811	3.6
75.00741	1.2
77.66385	1.1
83.01249	4.6
83.04897	1.5
85.02818	8.6
85.06449	2.8
86.05989	4.0
87.00758	4.6
93.03329	15.0
93.23361	0.9
94.33503	1.2
96.99187	1.2
99.00751	6.6
100.07558	13.8
110.06002	1.3
111.00761	40.2
111.04388	4.4
111.08074	2.1
112.98675	6.5
124.98709	5.7
126.05494	3.9
128.07063	100.0
129.01814	2.2
129.07379	6.9
130.04956	1.4
130.08626	1.2
131.08156	4.1
142.99754	12.6
144.02930	1.1
154.05002	2.1
154.99693	4.9
172.02431	7.1
172.06065	66.2
172.83044	2.9
173.00826	3.3
173.04501	3.3
173.06377	4.7
173.09245	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	171.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71060	0.5
56.23588	0.5
57.03325	1.1
59.01253	1.0
65.01321	8.8
65.99705	1.1
66.03690	0.5
69.54826	1.5
69.55251	3.0
72.99171	0.6
73.02811	1.2
78.95776	1.7
81.04471	1.9
83.01215	0.5
85.02819	0.6
89.01311	4.8
90.00860	0.7
91.02906	0.8
98.19779	0.7
99.00785	0.9
99.08028	1.3
100.03928	0.7
101.02331	0.6
105.04436	3.0
106.04000	2.6
109.06516	1.0
115.91959	0.9
116.02459	1.0
117.04485	0.7
125.09619	3.4
127.02892	0.5
127.07523	2.9
127.11172	9.1
128.07053	0.8
129.04445	1.3
130.04007	5.0
130.08658	0.8
132.03177	0.5
143.04710	0.6
144.01906	1.5
144.04436	4.4
144.05585	6.9
144.27541	0.5
145.02948	0.7
145.04004	1.5
145.05107	1.5
153.09138	2.2
171.01874	5.5
171.04372	1.2
171.06709	12.9
171.10184	100.0
171.13783	7.3
172.03848	1.6
172.05046	2.3
172.06203	1.7
172.10526	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	171.1019
Annotation	9-Oxononanoic acid
Peak:m/z	Relative Intensity
52.15876	0.6
55.88635	0.6
59.01252	0.9
59.12795	0.6
65.01320	1.7
69.27226	2.9
69.27657	3.5
78.74721	0.6
78.95758	1.3
89.01324	1.0
98.20506	1.1
99.08089	0.6
125.09602	3.5
127.11169	5.9
130.04019	0.9
144.04439	0.8
144.05484	0.8
152.51939	0.6
153.09143	2.1
171.01872	0.8
171.10188	100.0
172.10529	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	171.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
61.42524	0.4
62.31799	0.4
65.01328	3.1
69.78558	2.5
89.01322	0.9
105.04456	1.1
106.03994	0.8
125.09596	3.6
127.11185	6.9
128.11502	0.5
130.04008	1.2
131.03447	0.5
134.76363	0.5
143.41240	0.5
144.04553	0.7
144.05583	1.8
145.04018	0.7
145.05090	0.8
153.09096	0.9
171.01889	1.1
171.06694	3.5
171.10181	100.0
172.05003	0.7
172.06253	1.1
172.10513	7.8
191.44995	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1018
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
55.01748	0.4
57.76485	0.4
65.01309	2.2
66.57071	0.4
70.57418	1.2
73.02824	0.7
81.04474	0.4
89.01334	0.9
99.08034	0.8
105.04477	0.9
123.89384	0.4
125.09620	3.8
126.99460	7.2
127.07567	0.5
127.11180	6.5
127.99739	0.4
128.07008	0.3
130.03993	1.6
130.08644	0.4
144.01961	0.4
144.04529	0.7
144.05585	1.9
145.05060	0.6
153.09117	1.5
170.98462	1.4
171.01936	1.1
171.06725	2.5
171.10181	100.0
172.03809	0.5
172.05020	0.7
172.06284	0.7
172.10518	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	171.102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.0
65.01328	4.3
70.97886	1.5
71.01256	0.6
73.02795	0.5
78.95773	1.0
80.67567	0.6
81.04468	0.7
83.04923	0.6
85.58953	0.6
85.81079	0.5
89.01308	2.6
99.08043	1.3
105.04473	1.5
106.03986	0.8
108.14610	0.5
109.06494	0.7
125.09647	3.1
127.07536	1.3
127.11196	7.6
129.03239	0.5
130.04018	2.0
130.08635	0.5
143.04887	1.1
144.04427	2.4
144.05592	2.1
145.03964	0.8
145.05086	0.7
153.09105	1.9
171.01909	3.4
171.06685	3.8
171.10193	100.0
171.13860	2.5
172.03900	1.6
172.06256	0.9
172.10538	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	171.1018
Annotation	9-Oxononanoic acid
Peak:m/z	Relative Intensity
50.01707	0.9
59.01226	1.0
60.96061	0.9
63.93223	0.9
66.23217	0.9
69.38428	0.8
88.04428	1.0
98.20531	2.6
99.00739	1.2
99.92500	1.3
125.09609	3.4
127.07492	2.5
127.11188	8.5
130.08516	0.9
153.09087	1.9
171.01903	9.9
171.10175	100.0
172.03949	1.0
172.10515	7.9
176.68002	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1018
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
52.21760	0.1
55.01746	0.2
57.03321	0.5
59.01239	0.4
69.03330	0.2
69.25569	1.3
71.01241	0.3
71.04876	0.2
78.95782	0.2
81.03349	0.2
83.04910	0.2
96.95918	0.2
97.06478	0.3
98.20512	0.2
99.00739	0.4
99.08026	0.8
99.92402	0.2
109.06465	0.4
111.00834	0.2
111.08028	0.2
123.08024	0.5
125.09612	3.4
126.09964	0.2
127.02959	0.2
127.03880	0.2
127.07531	1.3
127.11179	7.5
128.07004	0.1
128.11513	0.4
130.08649	0.7
134.86415	0.2
136.86136	0.2
144.04416	0.8
153.09102	1.9
171.01941	3.0
171.10178	100.0
172.02315	0.3
172.03883	0.2
172.06142	0.2
172.10515	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	169.1226
Annotation	9-Decenoic acid
Peak:m/z	Relative Intensity
53.77571	0.5
54.75867	0.4
57.03310	1.5
58.02842	1.0
64.01783	0.8
65.00201	0.6
65.01324	1.4
66.03364	1.2
67.94364	0.5
69.03313	1.5
69.27809	3.3
69.28227	1.9
71.04857	0.6
72.99181	0.5
83.04902	0.7
89.01308	1.2
90.00833	0.9
94.02844	0.5
97.02828	1.7
97.06437	1.2
98.02351	1.2
99.05561	0.6
109.02852	0.5
110.02375	3.4
115.02914	2.3
116.02419	1.7
125.02341	8.0
125.05985	1.3
125.09608	2.3
125.99476	1.8
126.02719	0.7
127.05044	1.1
129.03227	1.1
130.02728	0.5
139.20944	0.5
140.03400	1.6
142.04016	7.7
143.02489	0.5
143.03543	2.6
154.02690	0.8
168.03079	0.8
169.01385	3.5
169.03831	1.0
169.05045	5.3
169.12257	100.0
170.04582	1.8
170.05872	0.8
170.07118	1.1
170.12614	7.7
173.91006	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0862
Annotation	(E)-4-Oxo-2-nonenoic acid
Peak:m/z	Relative Intensity
55.01507	0.8
55.01758	8.1
57.03312	0.9
57.78932	0.4
58.02854	1.0
59.01247	0.9
60.40005	0.4
65.01318	0.8
66.03371	0.5
67.01759	0.5
69.03325	6.5
69.44518	3.7
71.01235	0.6
71.04892	35.0
72.05224	1.2
78.73466	0.5
80.02546	2.2
81.03333	2.0
83.04895	8.4
89.01318	0.5
95.04908	1.6
97.02806	1.4
97.06471	3.1
98.00006	0.4
98.02317	0.6
109.06477	0.8
110.02362	1.9
111.01941	0.5
115.02912	0.9
116.02417	1.0
123.04421	0.6
123.08035	9.1
125.02353	7.6
125.09612	100.0
125.99467	1.4
126.02610	0.6
126.09952	7.9
129.03185	0.8
140.03410	1.5
141.02000	0.5
141.09129	0.9
142.03992	3.6
143.03511	0.7
154.02780	0.6
169.01341	3.7
169.03799	0.8
169.05042	3.3
169.06293	0.5
169.08612	10.3
169.12321	1.4
170.04604	2.1
170.07089	0.5
170.08957	0.9
171.68964	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00216	0.6
50.88954	0.5
57.03319	1.1
59.01245	0.7
64.01796	0.8
65.01318	1.9
66.03362	1.8
67.01750	0.5
69.03344	1.2
71.01241	1.1
72.99162	0.6
83.01264	0.8
85.02853	0.9
85.03974	0.6
87.00768	0.6
89.01346	0.8
90.00896	0.7
97.02831	2.7
97.06474	1.5
98.02342	0.7
107.04931	0.8
109.02852	1.1
110.02387	2.7
113.58772	0.5
115.02939	1.8
116.02412	1.5
123.00815	0.6
125.02341	12.2
125.06018	1.2
125.09609	3.1
125.99483	2.8
126.02790	0.7
129.03229	1.3
140.03445	2.1
141.01894	0.6
142.04007	5.5
143.03503	2.5
154.01256	0.5
154.02644	0.7
156.63393	0.5
168.99811	0.9
169.01418	4.2
169.03914	1.4
169.05135	5.1
169.12265	100.0
170.04561	2.2
170.05869	0.8
170.12610	8.7
173.98862	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44363	1.7
59.78559	1.7
59.98399	9.1
65.01308	2.4
66.03383	2.6
67.01768	2.2
68.99705	3.0
69.03306	3.7
81.03330	2.9
81.04443	2.5
82.02853	4.2
82.03989	4.3
83.02377	1.9
83.04907	4.7
83.42165	1.7
85.02849	3.0
85.03940	4.7
91.01789	6.1
93.03313	1.8
95.01288	6.4
95.04932	4.9
97.02822	4.3
97.03945	2.3
99.04400	6.5
108.02055	42.7
108.04431	2.6
109.02895	2.5
111.00788	4.1
111.04393	4.1
112.58212	1.8
115.71355	2.0
121.06499	2.0
123.00779	5.8
123.04404	27.6
123.06380	2.1
123.08080	4.3
124.01557	7.6
124.04934	3.9
124.07497	2.1
125.02357	6.4
125.03432	2.4
139.03932	3.6
140.02423	4.9
149.06013	3.9
152.01062	100.0
153.00407	2.4
153.01489	4.4
167.03413	32.8
167.04701	2.2
167.05811	3.2
167.07153	9.2
167.10698	72.7
167.14409	2.0
168.02937	2.5
168.06549	3.8
168.11096	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	168.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11937	1.2
58.02852	100.0
59.03174	1.3
59.91652	1.4
63.08422	1.2
65.00180	1.6
66.52248	1.2
68.99699	1.4
69.03319	5.1
69.51821	1.2
69.85763	3.2
69.86179	5.0
78.95795	1.7
81.03337	1.9
82.02867	2.0
97.02842	4.6
107.01278	1.5
107.04877	1.9
108.04417	2.0
109.02377	2.0
120.45447	1.3
123.00780	2.0
125.02344	58.5
125.09607	4.5
125.99576	1.5
132.86681	5.0
150.30684	1.3
151.00313	1.3
153.01483	2.7
153.98965	1.5
158.14879	1.2
168.02855	2.0
168.03891	1.2
168.10164	1.6
168.13773	6.1
169.01346	18.0
169.05014	3.0
169.08632	1.7
169.12239	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	167.0342
Annotation	2,5-Dimethoxy-p-benzoquinone
Peak:m/z	Relative Intensity
55.30969	1.9
57.47779	1.8
63.70068	1.9
67.01768	2.1
70.88993	3.1
70.89334	4.3
81.11449	1.9
82.97008	2.0
88.27002	1.9
93.03340	7.3
95.01263	6.9
96.95894	2.2
98.19955	2.5
110.84954	2.0
121.02859	5.7
123.00761	6.9
123.04366	3.4
124.01559	7.4
124.78371	1.9
125.55433	1.9
132.86697	18.5
137.02332	4.2
138.03136	28.4
139.03928	58.8
140.04274	3.7
152.01096	4.6
164.49568	2.0
167.03416	100.0
168.01936	6.6
168.03691	4.6
170.02090	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	167.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
62.39109	1.1
65.01331	1.6
65.99718	1.3
67.05389	3.5
69.03319	4.4
71.04894	3.5
71.57183	1.2
80.02547	100.0
81.02882	3.5
81.03308	1.8
82.02862	2.1
82.03975	3.2
83.02397	1.6
88.30254	1.2
91.55346	1.3
95.04904	3.1
97.02800	1.5
98.02362	2.9
105.06987	5.3
108.02048	12.0
123.00741	1.8
123.04414	6.3
123.08044	58.8
124.01529	4.8
124.08363	5.0
125.03456	2.5
137.02335	1.4
139.00299	1.3
139.07515	1.9
139.34897	1.2
141.01942	2.0
151.99922	2.0
152.01071	30.9
153.01532	1.8
153.79518	1.2
167.03407	13.6
167.07008	5.0
167.14294	2.0
167.98431	1.6
168.02969	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	166.9897
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17527	0.6
58.19078	0.7
59.01262	1.1
67.01762	1.7
69.03321	2.6
71.57526	1.6
73.20631	0.7
73.25726	0.7
74.70856	0.7
80.02555	1.1
80.04928	0.7
81.03329	1.6
81.04440	0.9
82.02861	2.0
82.03982	1.0
83.01241	1.0
83.04904	1.0
85.03924	1.9
91.01765	2.7
93.03331	0.8
95.01279	4.2
95.04897	3.4
96.04413	1.3
97.02822	2.7
108.02061	24.8
108.04458	1.7
109.02294	1.4
109.02934	1.0
111.00752	1.4
111.04398	1.2
121.02838	1.4
123.00763	4.7
123.04406	18.5
123.08041	2.5
124.01553	5.1
124.03893	0.9
124.04868	1.4
125.02317	3.1
125.03452	0.8
125.06017	0.8
132.86732	0.8
138.99432	4.9
139.00316	0.7
139.03917	1.7
139.07451	0.9
140.02466	1.9
149.05952	1.5
150.05476	1.1
151.00240	1.0
152.01059	63.3
153.00446	1.7
153.01442	2.4
166.83206	2.3
166.98965	100.0
167.03398	22.6
167.05827	1.4
167.07150	6.0
167.10687	7.1
167.14375	1.5
167.99289	7.4
168.02844	1.8
168.06596	2.4
168.10143	1.5
182.98486	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	166.9897
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17527	0.6
58.19078	0.7
59.01262	1.1
67.01762	1.7
69.03321	2.6
71.57526	1.6
73.20631	0.7
73.25726	0.7
74.70856	0.7
80.02555	1.1
80.04928	0.7
81.03329	1.6
81.04440	0.9
82.02861	2.0
82.03982	1.0
83.01241	1.0
83.04904	1.0
85.03924	1.9
91.01765	2.7
93.03331	0.8
95.01279	4.2
95.04897	3.4
96.04413	1.3
97.02822	2.7
108.02061	24.8
108.04458	1.7
109.02294	1.4
109.02934	1.0
111.00752	1.4
111.04398	1.2
121.02838	1.4
123.00763	4.7
123.04406	18.5
123.08041	2.5
124.01553	5.1
124.03893	0.9
124.04868	1.4
125.02317	3.1
125.03452	0.8
125.06017	0.8
132.86732	0.8
138.99432	4.9
139.00316	0.7
139.03917	1.7
139.07451	0.9
140.02466	1.9
149.05952	1.5
150.05476	1.1
151.00240	1.0
152.01059	63.3
153.00446	1.7
153.01442	2.4
166.83206	2.3
166.98965	100.0
167.03398	22.6
167.05827	1.4
167.07150	6.0
167.10687	7.1
167.14375	1.5
167.99289	7.4
168.02844	1.8
168.06596	2.4
168.10143	1.5
182.98486	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	166.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02839	0.5
59.01229	0.4
65.99722	14.7
66.00845	3.6
66.03358	0.9
66.37917	0.4
67.00063	0.5
68.01295	2.9
68.46655	0.4
68.99690	0.5
69.03320	0.4
69.88466	1.0
69.88857	0.9
73.88350	0.4
80.04929	0.7
81.03234	1.5
82.01614	1.0
82.02852	0.4
82.03983	1.5
83.04900	1.2
91.01788	0.9
95.01279	1.1
97.02908	0.5
97.03968	1.9
108.02035	5.2
108.04451	0.9
109.02706	20.5
109.35069	0.4
110.03024	0.6
111.04462	0.5
114.07036	0.4
114.36308	0.4
121.02843	1.0
122.02420	0.5
122.03143	2.1
123.00751	1.0
123.04417	3.1
123.08021	0.5
123.77446	0.4
124.01559	0.5
124.05074	1.7
124.07574	100.0
125.02428	0.4
125.07114	0.7
125.07922	5.9
136.05191	2.5
138.05505	1.0
138.06557	0.4
140.02455	0.4
151.00229	0.7
152.01068	9.9
162.18307	0.4
166.02791	0.4
166.05014	13.5
166.09776	42.7
166.83235	0.3
167.03442	4.3
167.05023	0.5
167.05289	0.5
167.07076	1.2
167.10158	2.6
167.14349	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.055
Annotation	3,4'-Dihydroxypropiophenone
Peak:m/z	Relative Intensity
56.29114	0.4
59.01244	0.7
65.00190	0.4
65.01310	1.2
65.99703	0.9
67.02899	0.7
68.01276	0.5
71.44468	0.5
72.99184	1.1
75.00763	2.1
77.03841	1.2
81.04449	0.6
82.03982	1.4
83.02393	0.6
84.04433	0.4
91.05428	0.7
92.99632	0.4
93.03357	2.9
95.02382	0.6
95.04911	0.7
96.00773	0.7
96.05552	0.4
97.03977	1.1
106.04121	4.9
107.04915	43.3
108.02041	1.5
108.05235	1.9
109.02853	1.1
109.03966	0.7
110.03415	0.4
117.03320	0.6
119.04918	2.7
120.05344	0.4
121.02853	25.1
121.05511	1.4
121.06461	0.8
122.02416	0.5
122.03304	1.5
123.00800	0.6
123.01877	0.8
123.04415	2.7
123.05491	0.6
124.05063	1.6
125.03461	0.5
134.03647	10.6
135.04424	100.0
136.04764	5.7
137.02365	3.3
137.03377	0.7
137.05942	0.4
138.03043	1.1
139.05028	0.4
147.04402	3.2
148.04843	0.6
149.00893	1.8
150.03160	1.4
151.00305	0.5
165.01840	3.2
165.04103	1.4
165.05507	4.5
165.09149	1.2
166.02618	0.6
166.06180	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0549
Annotation	Caffeyl alcohol
Peak:m/z	Relative Intensity
51.52555	0.7
59.01249	2.5
65.01334	1.5
65.03839	1.1
65.21068	0.7
65.99715	1.1
66.81696	0.7
67.02889	0.7
70.77522	0.9
70.77859	1.5
72.00765	0.9
72.99172	0.8
73.55909	0.7
75.00753	2.3
77.03852	0.8
79.05441	0.8
81.03368	1.2
81.04452	1.1
82.04008	0.8
86.76311	0.7
90.74989	0.7
91.05422	2.7
93.03353	4.3
94.02911	0.9
95.01315	1.0
95.02400	1.7
95.04926	2.5
97.03967	1.9
97.53809	0.8
101.03860	2.6
103.05434	2.9
105.03360	2.9
106.04142	1.6
107.04926	11.5
108.02061	1.7
109.02837	2.1
109.03972	0.7
119.04919	27.0
120.05309	1.7
121.02848	23.5
122.03227	2.2
123.01875	0.8
123.04405	2.1
124.05067	1.7
129.03363	20.3
130.04187	5.3
133.02873	1.3
134.03625	1.2
135.04419	34.0
136.04796	1.3
137.02362	4.5
137.03279	0.8
137.05945	1.5
138.05527	0.8
145.02835	2.1
146.03635	8.8
147.04425	100.0
148.04771	6.8
149.00894	2.2
150.03163	1.1
151.00293	0.7
163.03931	1.5
165.01830	3.5
165.04153	0.9
165.05482	23.8
166.06024	1.1
173.02318	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03375	0.3
53.22979	0.3
55.01759	4.0
56.49058	0.4
57.03318	0.9
59.01249	6.9
60.01587	0.3
60.84795	0.3
66.00833	0.4
69.80237	2.1
69.84347	0.3
70.04775	0.3
70.14404	0.3
71.01254	5.6
72.96072	0.3
72.99179	6.0
73.02823	1.1
75.00742	100.0
76.01081	1.6
79.12225	0.3
83.01291	0.4
83.17252	0.4
85.02827	1.3
87.00749	21.1
88.01073	0.7
89.02319	3.0
90.01888	0.4
93.03304	0.4
99.00755	3.1
101.02310	1.9
105.01816	14.5
106.02177	0.4
108.04443	0.4
111.00752	0.5
117.01799	1.8
121.02812	1.4
121.99873	0.6
129.00859	0.6
129.01826	11.0
130.02138	0.8
135.02908	0.6
135.04361	0.6
137.02374	0.5
138.05508	1.2
140.23697	0.3
147.02892	5.4
150.03125	0.7
158.47147	0.4
165.03955	37.3
166.04329	1.4
183.43254	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0708
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
50.39166	0.8
54.67245	0.8
59.01229	1.0
62.72136	0.7
65.15502	0.7
70.34354	2.0
70.34772	1.6
71.01231	1.2
72.00780	40.4
84.85629	0.7
88.69167	0.7
91.05399	1.5
93.03352	1.4
101.02335	1.1
109.02834	0.7
118.32548	0.7
119.04919	1.6
120.04435	1.6
120.05247	1.6
121.02820	3.1
122.03591	1.6
126.82873	0.8
129.86336	0.8
135.04413	2.1
136.03911	1.4
137.02342	1.6
147.04420	100.0
148.04758	7.8
150.03140	2.4
164.03415	1.4
164.07092	45.1
165.01877	1.4
165.05515	2.5
165.07457	4.1
165.08984	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09768	0.2
59.01233	0.4
66.00840	12.7
67.01192	0.2
68.00040	0.8
69.36196	2.1
71.01248	0.4
72.00793	0.4
77.03838	0.3
82.03999	0.5
92.04957	0.3
93.03343	0.4
98.19785	0.3
104.76241	0.3
108.01945	0.3
119.04916	0.4
120.01062	0.2
120.04485	0.4
120.05254	1.4
121.02843	5.6
122.03580	0.4
134.03494	9.8
135.04477	0.3
137.02267	0.3
143.17064	0.2
147.04385	0.4
148.05061	0.7
149.05847	7.5
150.03119	0.8
164.08208	100.0
164.83559	0.7
164.89552	0.3
165.01849	1.0
165.05499	0.9
165.08583	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	164.0709
Annotation	5-(3-Pyridyl)-2-hydroxytetrahydrofuran
Peak:m/z	Relative Intensity
51.68717	0.2
53.07368	0.2
58.02852	0.3
59.01253	1.1
61.96290	0.2
65.00193	1.1
65.01310	1.6
65.99717	1.6
66.00832	0.8
66.03380	0.3
67.02878	0.5
68.01276	0.3
68.02080	0.2
68.99686	0.3
70.34275	0.5
70.34676	0.4
71.01237	0.7
72.00779	0.8
72.99181	0.5
75.00760	0.4
77.03825	1.1
79.02856	0.3
80.04936	2.9
81.04451	1.6
81.05302	0.2
82.02851	0.7
82.03979	3.3
83.02370	0.8
83.03660	0.2
84.04449	0.3
85.02841	0.6
86.03138	0.2
89.00223	0.5
89.02350	0.5
91.01765	0.4
91.02887	0.3
92.02422	0.7
92.04946	0.9
92.99689	0.5
93.03331	2.0
94.02865	1.0
95.02379	1.3
95.04902	0.3
96.00771	0.4
96.04446	0.3
96.05507	0.2
97.02845	0.8
97.03930	0.4
101.02323	0.6
102.02670	0.3
103.06810	0.2
105.04470	0.5
106.04035	0.7
107.02391	0.4
107.03570	0.4
107.04893	1.5
108.02049	0.8
108.04433	0.5
108.08090	1.9
109.02827	0.5
109.03952	0.7
110.02365	0.6
112.50037	0.2
119.02437	0.4
119.04919	2.0
120.01913	0.3
120.04427	2.2
120.05267	6.2
121.02840	23.5
121.03821	0.7
121.05186	4.1
121.06529	0.6
122.01133	0.2
122.02370	0.6
122.03500	2.3
122.05437	1.0
122.07108	0.6
122.89260	0.2
123.01899	0.5
123.03046	0.6
123.04408	0.8
123.05515	0.5
123.06602	0.5
124.03919	0.7
134.03494	1.0
135.03165	0.8
135.04410	3.4
136.03937	3.0
136.05009	0.8
136.07579	17.0
137.02362	1.6
137.03470	1.7
137.04718	2.9
137.05821	0.4
137.07898	1.2
138.01927	0.3
138.02960	0.3
147.04451	2.7
149.00931	0.4
149.02272	0.4
149.04732	4.8
149.05812	0.3
150.01939	0.5
150.03104	2.9
152.03445	1.0
153.04221	2.2
154.04491	0.2
163.83905	0.3
164.03386	5.3
164.07080	100.0
164.83524	6.0
164.84935	0.4
164.89436	1.3
165.01868	3.2
165.04080	0.5
165.05467	3.1
165.07426	9.0
165.09090	1.2
181.03719	5.3
182.04076	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0393
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02848	0.4
58.91368	0.3
65.01322	2.7
65.99731	1.5
66.00849	0.8
66.03337	0.5
67.02895	0.8
68.01273	0.4
68.99701	0.7
70.15444	0.8
70.15864	0.6
71.01241	0.4
72.00806	0.6
77.01312	0.3
79.02905	0.6
80.01292	0.3
81.04456	0.8
82.03546	0.5
82.03989	4.9
83.02386	0.8
85.02843	0.3
91.01778	2.8
91.02911	0.8
91.05394	0.8
92.01301	0.4
92.02425	0.6
93.00828	0.4
93.03330	3.6
93.04468	0.4
94.02863	0.8
95.01265	0.5
95.02376	0.7
95.04899	0.3
95.06023	0.5
96.00809	0.5
97.03957	0.7
101.02307	0.4
105.04498	0.4
106.04025	1.1
107.02401	0.6
107.04916	2.9
108.02055	0.7
109.04001	0.8
109.06494	0.4
117.03377	1.7
118.03983	0.4
119.01302	1.8
119.04922	100.0
120.01940	0.4
120.04398	1.5
120.05328	5.5
121.02872	2.3
121.03976	3.4
121.05098	6.1
122.02507	0.3
122.03474	1.2
122.07130	0.3
123.04387	1.0
124.02702	0.3
133.02844	0.6
133.05095	0.5
134.03632	6.1
135.00824	0.8
135.01895	0.3
135.04433	9.9
136.01346	0.3
136.04037	0.5
136.05063	3.0
137.03453	1.5
145.02832	1.2
146.03490	1.1
147.04459	1.1
162.03168	0.5
162.89247	1.4
162.95290	4.5
163.00299	5.9
163.03922	38.1
163.06158	3.2
163.07539	0.7
163.11197	3.0
164.00853	0.4
164.04462	3.8
164.06993	0.6
164.08250	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0708
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
59.01248	1.6
65.01316	3.8
65.99718	3.6
66.00816	1.2
66.03349	1.3
67.02870	1.4
68.01277	2.3
71.01239	1.7
71.56756	0.7
72.00779	38.2
72.99193	1.2
75.00739	1.1
77.03822	1.5
79.01664	0.7
81.03316	0.8
82.03961	1.7
83.02377	0.9
85.02807	0.8
89.02319	1.2
91.05361	0.9
91.08248	0.7
92.02419	1.0
92.04929	1.4
93.03329	4.4
94.02839	1.6
95.02378	2.5
96.00774	1.2
97.03925	0.9
101.02325	1.2
102.02688	0.8
106.01604	0.8
106.03986	2.1
107.02388	2.2
107.04888	2.1
108.02026	0.8
109.02813	2.1
109.03938	1.7
111.01897	0.9
119.02357	1.0
119.04971	3.8
120.04418	3.2
120.05259	9.8
121.02843	28.3
121.03904	2.0
122.03527	6.0
123.01907	2.5
123.04395	1.6
124.02678	0.8
134.03514	3.1
135.04453	5.6
136.01431	0.8
136.03909	2.0
136.04971	1.4
137.02322	3.4
137.03462	6.1
137.05969	0.9
138.02982	1.0
146.03465	1.2
147.04416	100.0
148.01450	0.8
148.04759	6.9
149.01120	1.0
149.02345	2.8
150.03134	6.4
164.01018	0.8
164.03383	5.7
164.04561	8.5
164.07082	42.8
164.08134	1.6
165.01828	4.7
165.02843	0.7
165.04085	1.4
165.05450	6.3
165.07492	3.5
165.09129	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	163.0392
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.75979	0.1
54.26547	0.1
54.28410	0.1
70.56383	0.3
80.21879	0.1
91.05406	0.2
93.03343	0.8
117.03396	0.2
119.04913	100.0
120.05244	6.7
129.60925	0.1
163.03909	7.2
164.04268	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0393
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
55.01197	0.4
58.95615	0.4
71.28365	0.7
72.00762	0.9
90.53075	0.4
91.01782	2.8
92.04943	0.5
92.45477	0.4
93.03337	1.8
107.04908	0.4
107.12277	0.4
119.01276	1.2
119.04919	100.0
120.04457	0.7
120.05235	4.5
121.02861	0.6
134.03621	0.7
135.00813	0.7
135.04398	1.2
145.02872	0.5
147.04420	1.7
163.00269	3.7
163.03899	7.3
163.05051	0.4
164.04401	0.7
164.07080	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35288	0.1
52.69638	0.1
54.52064	0.1
59.01244	0.3
62.51655	0.1
65.01322	0.3
65.99717	0.3
71.01256	0.3
71.13280	0.2
82.03968	0.5
85.02818	0.3
91.05421	0.2
92.02435	0.1
92.04919	0.1
92.50210	0.1
93.03327	1.3
94.02811	0.1
101.02312	0.7
106.04028	0.2
107.04888	0.1
107.73299	0.1
117.03381	0.2
117.88039	0.1
119.04913	100.0
120.05239	6.8
121.03990	0.3
121.05081	0.8
122.03482	0.2
134.03571	0.2
134.47014	0.1
135.04398	0.2
136.04051	0.1
136.05048	0.2
137.03452	0.2
146.03539	0.2
147.04398	0.2
148.05180	0.1
149.02306	0.3
162.89247	0.2
163.00200	0.2
163.03909	6.8
163.05905	0.6
163.07552	0.6
163.11243	0.1
164.04413	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	1.8
64.41629	0.9
65.01318	3.4
65.03828	2.8
65.99725	3.1
66.03332	0.9
67.02881	1.2
68.01292	1.7
68.99733	0.8
71.01255	2.0
71.28413	1.9
72.00792	1.9
72.99189	1.1
77.91683	0.8
80.29288	0.9
81.04430	1.0
82.03983	5.6
89.03821	1.0
91.01782	6.4
91.05425	4.9
93.03339	24.3
94.02822	1.0
95.01266	1.8
95.02409	1.1
95.04881	1.2
97.03965	1.5
101.02283	1.3
101.03831	3.4
106.04031	3.0
107.02435	1.4
107.04903	8.6
108.02036	3.3
109.03929	1.7
117.03362	7.4
118.04083	1.1
119.01276	4.1
119.04919	66.4
120.04405	2.9
120.05344	3.3
121.02840	7.3
121.03974	3.0
121.05067	4.8
122.03487	1.7
123.01875	1.1
123.04414	2.6
123.29989	1.0
133.02885	1.4
133.05008	0.9
134.03625	18.1
135.00806	1.9
135.01860	0.9
135.04427	33.6
136.03917	1.9
136.04979	3.7
137.02412	1.2
137.03461	2.7
145.02864	12.6
146.03421	2.5
147.04391	4.4
148.01563	2.1
149.02330	1.2
162.03136	1.1
162.89256	2.1
163.00290	14.5
163.03917	100.0
163.06174	4.4
164.04468	8.1
164.07072	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	163.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.4
65.01331	0.8
65.99728	0.6
71.01250	2.5
71.03294	1.3
71.03632	0.7
81.04457	0.6
82.03997	0.7
85.02833	2.8
91.01770	0.9
91.05411	19.7
92.05741	1.2
93.03329	3.0
101.02316	5.5
101.70738	0.6
107.91109	0.6
118.45632	0.6
119.04913	100.0
120.04454	0.9
120.05237	5.9
121.02859	0.8
121.05120	2.8
122.03466	0.8
134.03545	1.2
135.04433	5.0
136.05013	1.1
147.04396	1.3
163.00252	2.4
163.03920	9.2
163.06084	4.1
163.07303	0.8
164.00958	0.6
164.04538	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	163.0393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	0.1
65.01334	0.2
65.12408	0.1
67.02883	0.1
71.06616	0.2
71.06952	0.1
82.03986	0.2
91.01768	0.2
91.05434	0.3
93.03329	1.1
95.60624	0.1
100.75082	0.1
117.03389	0.1
119.04919	100.0
120.05247	4.9
121.02843	0.1
121.04009	0.1
121.05051	0.1
134.03587	0.1
135.04527	0.2
136.03984	0.1
136.05060	0.1
145.02847	0.1
147.04434	0.2
163.00273	0.3
163.03920	6.5
164.04324	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09520	0.5
51.80751	0.4
55.01766	0.6
57.03323	7.3
58.00486	0.4
58.02847	100.0
59.01248	8.2
59.02538	0.6
59.03180	1.6
70.14406	1.7
71.01252	5.5
71.04890	0.5
72.04409	1.0
72.99189	1.6
73.02816	4.5
74.02341	2.9
81.03352	1.2
83.01250	2.3
84.02056	0.5
85.02818	7.6
85.03292	0.7
86.06022	0.5
87.00729	2.7
87.04406	0.7
88.03918	0.9
89.02318	1.3
97.02824	0.6
98.02325	0.7
98.05997	0.8
99.00742	0.7
99.04391	8.8
100.03886	0.7
101.02303	3.7
113.02339	1.1
114.04741	0.9
114.05491	12.7
117.05485	0.6
118.04986	16.4
131.03397	3.2
142.04991	6.2
143.03337	0.7
158.04501	0.9
160.06055	37.6
160.84163	1.0
161.04459	6.7
161.06401	2.1
176.07179	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	5.8
57.03331	16.1
58.00458	2.8
58.02853	100.0
59.01255	65.1
69.03315	5.2
69.64939	18.7
71.01256	83.2
72.99185	11.8
73.02821	64.8
74.02346	9.0
75.00749	8.2
81.03328	10.1
82.64623	2.3
83.01263	18.9
84.04430	6.9
85.02827	77.0
87.00749	26.4
88.01087	2.9
88.03915	6.7
89.02319	15.9
95.01224	3.5
97.02837	5.6
98.02338	5.7
99.00738	6.7
99.04402	6.6
100.01564	13.2
101.02311	14.5
112.03964	3.8
112.06319	2.5
113.02332	24.7
113.56586	2.3
114.05474	13.2
115.03916	4.9
116.03403	4.9
116.07046	5.3
117.03410	2.7
118.04985	61.1
118.05826	4.0
125.02357	5.9
129.01849	3.9
131.03392	32.0
133.02815	4.1
142.05003	17.2
143.03403	5.7
159.89299	7.5
160.03902	7.4
160.06085	37.1
160.89133	4.8
161.02350	10.9
161.04478	85.7
161.05841	3.2
161.08109	3.8
167.81142	2.4
176.95714	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	159.1018
Annotation	(R)-2-Hydroxycaprylic acid
Peak:m/z	Relative Intensity
57.03317	0.7
58.02842	0.5
59.01248	2.0
64.01796	0.7
65.01313	5.1
65.99722	1.5
66.00844	0.7
68.99651	0.5
69.12572	0.4
70.71114	1.3
71.01254	3.1
73.02820	4.1
75.00758	0.8
77.01328	0.6
85.02834	0.9
87.00762	1.5
88.03905	0.8
89.01321	2.5
89.54657	0.4
90.00851	3.6
91.02885	3.1
92.01278	0.5
97.06468	0.5
99.00751	1.9
101.02321	1.7
105.04498	0.5
106.04001	3.4
107.02355	0.7
110.00236	0.5
111.00768	2.9
111.08035	0.9
113.02312	0.9
113.09604	22.9
114.09946	1.8
116.02431	2.1
116.92737	1.7
117.04533	0.6
118.04022	2.5
119.02403	2.2
119.04774	2.3
120.03182	0.8
120.04304	0.6
123.75504	0.5
124.77634	0.5
129.01822	1.3
130.04002	0.9
131.03523	0.8
132.01920	1.5
132.02931	0.5
132.04573	0.8
132.05542	4.1
132.56062	0.5
133.03973	3.9
133.05054	1.5
133.05984	0.6
141.09125	2.5
144.04305	1.0
145.02728	0.6
151.03770	0.6
157.08652	1.4
158.89255	0.6
159.02951	7.4
159.06660	5.8
159.10176	100.0
160.03952	0.8
160.05074	3.7
160.06172	0.7
160.10521	7.7
162.04054	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0814
Annotation	Acetyl-DL-Valine
Peak:m/z	Relative Intensity
54.21857	0.2
57.03323	0.9
57.05126	0.2
58.02849	3.2
59.01255	2.1
68.99693	0.5
69.03332	0.3
69.72994	0.7
69.73409	0.6
70.02840	0.2
71.01252	1.6
73.02825	1.6
73.24736	0.2
78.95779	0.4
83.01272	0.6
83.67249	0.2
85.02828	0.8
86.06016	0.2
87.00759	1.1
87.04358	0.2
97.02840	0.4
97.06472	0.8
99.00755	1.1
101.02330	0.8
111.00805	1.0
114.09146	6.3
115.03890	0.4
115.07551	0.4
116.07068	100.0
117.06580	0.7
117.07390	4.4
129.01814	0.8
158.08142	10.5
158.89221	0.6
158.92343	0.3
159.02972	1.5
159.07587	0.4
159.08704	0.4
159.10152	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00216	1.7
55.01757	2.4
57.03326	2.9
58.02833	1.9
59.01248	6.2
64.01808	2.0
65.01321	18.6
65.99712	7.8
66.00832	3.8
66.03340	1.3
67.02882	1.5
68.99686	2.0
69.03315	2.8
69.24926	1.4
69.25223	14.3
71.01254	13.2
72.99164	2.0
73.02816	12.8
74.02340	2.9
75.00758	1.5
77.01311	3.2
83.01245	2.1
85.02820	5.2
87.00742	4.8
88.03917	4.5
89.01326	11.6
89.99735	1.4
90.00851	17.1
90.55499	1.3
91.02886	9.8
92.01270	2.4
92.02430	2.5
97.02810	2.3
97.06461	5.1
98.20564	2.9
99.00748	9.1
99.92456	2.6
100.01533	1.6
101.02319	5.8
104.02430	1.6
105.04453	3.6
106.04001	9.2
107.02395	1.3
111.00753	8.4
113.02335	3.5
113.09611	1.6
115.07533	100.0
116.02464	8.9
116.04926	1.2
116.07893	5.5
116.92732	4.1
117.01973	1.4
117.04456	2.7
118.04015	8.5
119.02396	6.2
119.04791	12.3
120.01909	1.2
120.03146	3.4
120.05068	1.4
129.01877	6.5
130.03981	3.6
130.04893	1.4
131.03554	5.0
131.06848	1.3
132.00966	1.8
132.01872	6.3
132.04541	2.0
132.05521	15.4
133.03108	1.7
133.03957	13.4
133.05069	5.0
141.01819	1.5
142.03937	1.7
144.04305	6.3
151.03748	3.5
158.89275	2.3
159.02992	32.7
159.04314	1.8
159.05571	2.3
159.06636	23.4
159.10167	6.3
159.89307	4.9
160.03902	21.9
160.05090	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	155.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	5.9
57.03323	3.5
58.02844	5.9
59.01240	3.4
61.46045	1.3
65.01315	4.6
65.99731	2.0
66.00858	1.5
67.01749	1.7
68.01291	2.4
69.03316	2.6
70.02861	2.2
71.01239	3.8
71.56871	2.7
72.99187	2.0
74.02338	3.8
81.03326	1.6
83.01265	6.3
83.02390	1.6
83.04880	4.3
84.00798	3.3
84.04415	11.2
85.02838	4.0
86.02345	2.5
89.01331	1.9
93.03329	2.6
95.01281	1.7
95.02394	2.7
96.00790	10.1
96.95926	1.5
97.03947	2.7
98.02399	2.5
98.13013	1.2
99.92432	1.5
101.01322	3.7
102.00878	1.8
109.02782	1.8
109.76122	1.4
110.03481	1.5
111.00754	4.2
111.04401	5.2
111.05521	2.2
111.08020	3.6
112.03888	4.3
113.02303	1.9
113.03450	3.4
113.06014	1.7
113.07065	2.2
114.05481	4.0
118.27795	1.4
125.02335	1.4
125.03440	1.9
127.00275	8.7
128.02446	2.2
128.03384	2.0
129.04475	5.3
130.04005	1.3
137.02328	2.1
140.01067	3.4
154.02750	2.4
154.99776	4.4
155.02522	2.1
155.03529	29.7
155.04532	2.3
155.07054	4.2
155.10683	100.0
156.02977	3.7
156.04196	1.9
156.05560	22.1
156.11014	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	157.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64048	0.8
57.03324	100.0
58.03659	1.7
59.01257	4.6
65.00985	1.3
65.01318	20.4
65.99741	1.3
66.00848	1.1
66.47668	0.9
67.75881	1.0
69.03322	2.8
71.01255	2.0
83.04890	1.3
84.99188	3.4
85.02766	0.8
85.06464	6.9
87.00708	1.1
88.01816	1.3
89.01332	9.1
91.02890	6.4
95.04913	2.3
95.54526	1.1
97.06477	4.6
99.00740	2.3
99.08027	3.6
103.02927	1.6
105.04454	1.3
106.03972	1.5
109.06454	1.0
111.08023	7.3
112.80878	0.9
113.09608	52.4
114.09942	3.5
115.00253	3.1
115.02902	10.3
116.02451	5.1
116.03155	1.1
127.00271	4.3
127.07442	1.4
128.04959	1.5
129.09109	2.3
130.04007	37.4
130.06544	2.6
130.25999	1.1
131.02466	1.1
131.03510	4.6
131.04314	1.8
139.00114	1.0
139.07547	1.4
156.89388	3.7
156.98738	2.7
157.01378	1.0
157.03851	2.3
157.05106	27.5
157.06410	1.8
157.08606	43.3
157.12224	4.0
158.02292	1.5
158.03531	10.8
158.04701	1.4
158.05983	4.1
158.07076	1.2
158.09016	2.1
175.17857	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.4
57.03331	1.3
59.01259	1.2
62.77158	0.9
67.01771	1.8
69.03358	1.2
69.43458	4.3
69.43863	2.0
71.01263	2.4
72.99183	1.3
73.02824	20.2
81.03358	0.9
83.01290	4.1
83.04893	2.5
84.00773	1.0
84.04429	3.2
85.02825	2.2
90.87403	0.7
93.03336	2.7
95.01255	0.9
95.04953	0.8
96.00772	1.3
96.95883	6.5
98.19791	1.5
98.93333	0.7
99.92460	1.8
100.99172	0.7
109.02859	1.5
111.00755	1.8
111.03307	1.0
111.04411	3.1
111.08056	1.1
112.03979	1.1
113.02354	1.0
114.05515	2.0
127.00277	6.8
137.02345	1.4
137.09616	7.5
140.01068	2.8
148.45233	0.8
149.92734	0.8
154.99788	3.4
155.02444	1.3
155.03625	3.7
155.07080	2.6
155.10701	100.0
155.86496	2.8
156.02977	0.9
156.05502	1.5
156.06604	2.1
156.11034	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	155.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	3.2
57.03317	1.4
58.02853	1.3
59.01244	2.5
65.01319	2.3
67.01773	1.3
70.02876	0.9
71.01259	2.9
71.57807	1.5
72.99193	1.6
73.02825	20.6
74.02335	0.8
81.03333	1.5
83.01271	3.8
83.04446	0.7
83.04913	3.3
84.00818	0.9
84.04420	5.0
85.02834	6.3
89.01357	0.9
93.03328	1.8
95.01276	1.5
95.04904	0.9
96.00790	2.3
96.95901	2.3
99.04380	1.1
99.92479	1.3
109.02862	2.0
109.06459	1.1
111.00761	2.5
111.04411	3.2
111.08073	1.9
112.03942	1.4
113.02341	2.8
114.05470	2.7
127.00301	6.6
127.03930	1.6
129.04492	2.0
137.02339	1.3
137.09607	8.5
140.01021	2.9
143.45166	1.0
153.61787	0.8
154.99832	2.3
155.02501	1.7
155.03529	11.4
155.04561	0.7
155.07060	2.5
155.10690	100.0
156.02988	1.2
156.05542	7.7
156.06551	1.4
156.11049	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	155.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.7
58.02856	0.8
59.01254	0.7
65.01316	1.1
67.01733	0.7
71.57281	0.8
76.99480	0.6
80.61666	0.6
83.01276	1.2
84.04415	1.2
86.59124	0.5
96.00803	0.9
111.00765	2.0
111.04424	0.8
111.08012	0.6
112.05120	0.6
113.03411	0.6
123.54404	0.5
127.00269	0.7
133.05128	0.7
137.09621	0.6
140.00980	1.1
146.81180	0.6
155.03537	4.4
155.10683	100.0
156.05537	3.4
156.11015	9.6
172.05177	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	13.9
57.03325	22.4
58.02841	19.3
59.01260	9.0
61.66938	4.3
65.01320	18.4
67.01772	7.6
69.03325	6.7
70.02830	4.8
71.01248	9.2
71.04928	5.0
71.57422	7.0
72.99191	4.6
74.00212	4.6
74.02354	9.9
83.01271	10.6
83.04903	16.0
84.00764	9.1
84.04431	41.4
85.02823	9.3
85.03940	5.3
86.02361	7.5
89.01343	11.3
93.03345	10.5
95.01238	4.9
95.04886	6.3
96.00764	33.6
96.95879	4.7
97.03963	7.5
98.02364	13.3
98.03522	6.7
99.04381	6.1
101.01362	8.9
102.00841	7.3
109.02847	9.6
109.06487	11.5
111.00795	7.0
111.04374	12.0
111.05518	8.9
111.08076	23.8
113.02332	6.7
113.03439	9.4
113.06013	5.6
114.01875	5.1
114.05481	13.6
127.00232	25.9
128.02454	10.1
129.04495	20.6
140.01010	11.7
154.02760	5.1
154.99797	14.8
155.02426	7.5
155.03516	100.0
155.04535	7.4
155.07053	45.0
155.10678	8.0
155.14378	6.5
156.02957	11.7
156.05559	66.1
156.06630	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29731	1.5
57.03313	3.2
58.02837	6.3
59.01243	4.2
65.01318	7.6
67.01761	2.5
70.02851	2.9
71.01247	1.9
71.57693	2.4
73.02773	1.4
74.02335	5.1
75.00740	2.2
82.03998	1.5
83.01264	9.9
83.02390	1.6
83.04913	3.7
84.00774	2.2
84.04422	17.4
85.02825	2.6
85.03944	1.8
86.02335	3.0
89.01334	3.6
90.00843	3.0
92.85487	1.4
93.03345	4.8
95.01248	2.4
95.02348	1.7
96.00791	10.4
97.03986	2.1
98.02379	4.4
98.03495	2.3
99.00727	2.0
101.01327	4.2
102.00867	4.4
111.00041	2.1
111.00742	6.9
111.04354	2.2
111.05521	4.7
111.08021	1.8
112.03904	3.0
113.02320	2.5
113.03461	4.7
114.01873	2.3
125.03487	3.1
128.02435	4.3
128.03400	2.8
129.04448	5.3
140.01021	2.8
154.02763	3.4
155.02434	2.0
155.03514	40.7
155.04524	3.2
155.07072	3.0
155.10677	100.0
156.02931	3.8
156.04155	2.4
156.05568	16.8
156.06635	2.9
156.11041	9.5
160.76033	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	153.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02837	0.7
59.01242	0.6
65.01305	0.5
65.03828	1.2
65.99713	1.0
66.00829	0.4
66.03349	0.7
67.01757	2.2
67.02889	0.5
68.01276	0.7
68.99686	0.8
69.03325	0.6
69.86034	1.6
72.00760	0.4
72.04426	0.4
72.48872	0.2
72.99174	0.7
77.03855	0.5
80.02542	0.4
81.03320	1.4
81.04443	0.4
82.02853	1.6
82.03951	0.6
83.01273	0.4
83.02369	0.8
84.00771	0.3
93.03335	60.5
94.02866	0.3
94.03062	0.4
94.03658	3.6
95.01225	0.7
95.02377	1.2
95.04907	0.9
96.00790	0.7
97.02818	1.0
97.03929	0.5
98.02359	0.7
98.20518	0.5
105.03339	0.5
107.04939	0.4
108.02054	3.4
109.02838	12.3
109.06483	0.8
109.99998	2.0
110.02361	0.7
110.03114	0.5
111.00789	0.6
111.01875	0.6
111.04425	0.5
111.05540	0.6
112.03887	0.5
112.05054	0.6
121.02842	78.9
122.03107	7.9
123.04408	67.3
124.01575	0.3
124.03913	1.5
124.04766	4.5
125.02355	4.3
125.03403	0.5
125.05948	0.3
126.01839	0.4
127.01676	0.4
127.05012	0.6
135.04474	0.3
136.03923	1.0
137.02342	1.7
137.99469	2.8
138.01967	0.4
138.03099	0.4
139.03906	100.0
140.04243	6.0
151.00259	1.0
153.00089	0.5
153.00357	0.4
153.01851	8.1
153.02971	0.5
153.05476	20.0
153.09134	0.8
154.02577	0.9
154.03938	0.4
154.04967	1.1
154.06046	1.8
154.08669	1.8
165.01871	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	153.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	0.8
66.03339	2.3
67.01740	1.0
67.03688	1.7
69.03323	2.5
71.04888	3.5
71.57207	0.9
72.99165	0.9
75.63995	0.8
78.95758	0.9
81.03328	2.7
81.74852	0.9
82.02834	1.6
82.03920	0.9
86.65984	0.8
93.03355	1.3
95.04881	1.1
97.06468	35.2
97.07104	2.0
98.06826	2.0
99.08019	10.1
100.98087	0.9
108.02050	3.5
109.02831	34.2
109.06461	2.7
109.99976	2.5
110.03145	2.1
111.08055	1.2
112.03934	1.2
121.02829	1.2
123.00792	1.1
123.04388	2.0
124.03915	4.7
125.02335	2.4
125.09595	3.0
135.04367	1.4
136.03918	1.9
137.09613	3.9
137.99475	3.7
139.03931	1.6
143.91232	0.9
151.11177	2.3
153.01833	8.1
153.05479	2.1
153.12752	100.0
154.05029	2.7
154.13086	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0314
Annotation	Unknow
Peak:m/z	Relative Intensity
60.71393	0.6
66.03345	0.7
69.03320	1.0
69.84731	3.7
76.43933	0.6
78.95781	100.0
80.79411	0.6
81.03336	2.7
82.02865	1.6
83.01256	0.8
89.14217	0.6
97.02836	1.2
99.34813	0.6
100.50922	0.7
108.02060	6.8
109.02843	82.9
109.99977	4.4
110.02473	1.0
110.03158	4.3
122.66154	0.7
123.00800	0.7
124.03906	1.3
124.99998	35.6
125.02354	3.5
129.78842	0.7
135.04469	0.7
137.99448	3.2
151.00328	0.7
153.01842	23.2
153.03101	5.3
153.05440	1.2
153.09113	1.0
154.01248	0.9
154.04980	1.1
172.85437	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66055	0.5
65.03825	1.0
67.01753	1.5
71.43899	0.7
81.03310	0.7
81.36229	0.4
82.02856	0.6
83.02353	0.5
92.03627	0.5
93.03333	52.6
94.03685	2.8
95.04897	0.5
96.99788	2.5
97.02840	0.5
108.02055	1.0
109.02836	6.2
109.06490	0.5
109.99970	0.7
111.01889	0.6
112.64878	0.4
121.02841	71.1
122.03134	6.6
123.04406	63.5
124.03969	0.7
124.04747	4.2
125.02343	2.0
128.04597	0.6
137.02338	1.7
137.99530	0.6
139.03905	100.0
140.04245	6.3
151.00252	0.6
153.00098	4.6
153.01849	4.5
153.02901	0.7
153.05478	20.5
154.04846	0.7
154.05876	1.1
154.06877	1.1
165.01854	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	152.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44836	0.3
59.01234	0.3
65.00181	0.3
65.03821	0.4
66.00843	0.9
66.03358	32.3
67.01704	0.5
67.03680	1.3
68.02406	5.0
68.99696	0.5
69.03321	0.5
71.01219	0.4
74.65847	0.3
78.95779	2.2
80.04925	1.5
81.03329	1.8
82.02845	0.3
83.01122	6.6
83.04919	0.4
85.02829	0.6
89.30868	0.3
93.03347	0.7
95.01194	0.6
96.01900	0.4
97.02817	0.6
98.19829	0.6
108.02046	3.6
108.04441	1.4
109.02833	35.2
109.06485	0.6
109.99988	1.7
110.02361	0.4
116.76399	0.4
117.53936	0.3
121.02856	0.6
122.03667	0.8
123.00765	0.4
123.04391	1.0
124.01543	0.4
124.04728	0.6
124.07593	0.4
125.02306	1.3
125.07052	0.7
135.04460	0.6
136.04874	0.3
137.01884	1.4
137.99492	2.6
138.03065	0.4
139.03893	0.8
151.00232	0.5
151.87274	0.6
152.01106	0.6
152.03345	2.2
152.08195	100.0
152.99449	1.6
153.01842	8.1
153.05469	1.8
153.06560	0.5
153.08575	5.8
157.84924	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.994
Annotation	Unknow
Peak:m/z	Relative Intensity
70.19117	4.5
74.58655	1.0
78.95779	100.0
81.03336	3.5
83.73987	0.9
89.49328	1.0
91.01775	1.5
96.96828	9.4
97.02834	1.8
104.13782	1.1
108.02065	8.3
109.02843	94.5
109.99977	2.1
110.03188	3.6
111.04372	0.9
125.02331	2.3
137.99481	1.4
150.97908	2.6
151.00266	1.1
152.99498	74.3
153.01833	24.7
153.03050	1.6
153.05519	1.4
153.86780	7.9
153.99811	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	152.9944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53007	0.5
65.00195	0.8
65.03841	0.8
66.03355	0.7
67.01778	0.7
69.03315	1.5
71.57810	0.7
77.57480	0.4
78.95776	35.6
81.03330	4.1
82.02866	1.0
83.01251	1.1
91.01768	1.0
95.01266	0.9
96.96844	2.9
97.02831	1.2
98.02353	0.5
108.02049	7.2
109.02837	100.0
109.99966	1.4
110.03151	5.0
111.00757	0.7
118.61582	0.5
123.00727	0.8
124.01527	0.5
124.03931	1.2
125.02328	2.6
135.04367	0.5
137.99519	1.1
150.97910	0.9
151.00240	0.6
152.99493	27.1
153.01828	20.9
153.03064	0.8
153.05457	1.1
153.86765	3.4
153.99837	0.6
154.02289	1.0
154.04976	0.9
154.06169	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
66.00815	0.6
66.03355	6.1
66.90020	0.3
67.01647	0.4
68.02405	4.3
69.61364	2.3
78.37743	0.3
80.04920	1.0
81.03313	0.7
82.69009	0.3
83.01116	7.2
95.01141	1.0
96.01912	1.0
107.97544	0.4
108.02057	1.2
108.04461	0.5
109.02830	15.8
110.00007	0.3
125.07052	0.8
136.01480	0.3
137.01871	0.5
137.99490	0.8
151.00285	0.4
151.87338	0.4
152.08188	100.0
153.01825	3.4
153.08588	5.4
167.34200	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
61.79513	0.6
62.52585	0.6
65.03821	0.7
66.03357	53.2
67.03679	1.5
68.02409	5.2
69.03340	1.3
71.01229	0.6
78.95764	1.9
80.04935	0.7
81.03336	3.0
83.01126	7.3
85.02831	0.8
88.03465	0.6
93.03320	0.9
97.02820	1.1
98.20544	2.0
105.42915	0.6
107.04912	0.8
108.02061	5.7
108.04433	2.5
109.02834	52.7
109.06470	1.0
109.99978	3.1
110.02337	0.7
111.04343	0.6
117.83712	0.6
121.02872	0.7
122.03596	0.7
123.04387	1.5
124.01585	0.7
124.04746	1.1
125.02348	2.1
125.07050	0.7
135.04404	0.6
137.01909	2.3
137.99466	4.3
139.03934	1.0
151.00275	0.7
151.87280	1.4
152.01054	1.3
152.03304	4.5
152.07195	3.9
152.08192	100.0
152.99486	1.7
153.01857	12.8
153.05460	3.1
153.06613	0.8
153.08585	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	152.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84991	0.2
66.00840	0.7
66.03358	4.9
67.01609	0.4
68.02409	4.7
70.63757	0.6
70.64149	0.6
71.68925	0.3
76.02188	0.3
80.04931	1.2
81.03337	0.3
81.78589	0.3
83.01120	6.2
83.04879	0.2
83.77055	0.3
95.01143	1.2
96.01909	0.9
96.08148	0.3
101.05957	0.6
108.02081	0.7
109.02834	7.3
109.99984	0.4
110.23478	0.3
117.45348	0.3
124.07600	0.3
125.07120	1.1
137.99454	0.5
151.99045	0.4
152.08195	100.0
153.01871	1.6
153.05522	0.5
153.06711	1.6
153.08554	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	152.082
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03813	0.5
66.00832	1.0
66.03358	27.8
67.01687	0.3
67.03682	1.1
68.02407	4.4
69.03324	0.6
70.15918	0.3
71.01234	0.5
72.04408	0.4
78.95779	0.6
80.04933	1.4
80.96402	0.4
81.03329	1.5
83.01120	6.7
83.04906	0.6
85.02823	0.4
89.75466	0.3
91.01799	0.4
93.03340	0.5
95.01109	0.7
96.01920	0.6
96.08103	0.4
97.02827	0.7
97.44276	0.3
98.20576	0.7
105.28336	0.3
108.02060	3.3
108.04478	1.4
108.05173	0.4
109.02834	26.9
109.06467	0.7
109.99302	0.4
109.99953	1.9
111.04389	0.6
121.02843	0.7
123.00753	0.5
123.04413	0.9
124.01575	0.3
124.07563	0.6
125.02337	1.5
125.07114	1.0
135.04439	0.5
137.01909	1.1
137.99521	2.7
139.03905	0.9
151.00267	0.6
152.03348	1.9
152.08195	100.0
152.83875	0.3
153.01849	7.2
153.05457	2.0
153.06590	0.7
153.08549	5.6
169.01401	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	5.7
60.83470	0.7
61.84458	0.7
65.01324	3.2
65.03851	1.2
65.99715	2.3
66.00839	1.0
66.03356	14.8
67.01772	1.7
67.02876	6.1
68.01284	2.9
68.99701	1.1
71.01250	7.7
71.06759	1.8
72.04418	8.2
73.02825	2.0
77.03832	2.1
79.05398	3.8
80.04926	0.7
80.96391	0.9
81.03336	8.1
81.04454	2.5
81.05846	0.8
82.02850	2.5
82.03983	1.6
83.02377	2.3
85.02802	1.1
89.02324	2.8
89.49220	0.6
92.02467	0.7
93.03336	44.7
94.03683	2.1
95.01254	3.6
95.02367	1.9
95.04900	11.8
97.04029	0.6
98.02367	0.8
101.02296	4.2
103.96761	0.9
105.03335	7.1
106.04041	3.3
107.04908	34.2
108.02052	33.1
108.04436	2.0
108.05251	2.0
109.02873	9.7
109.03936	7.3
109.99075	2.7
109.99957	1.2
110.02368	2.0
110.03525	3.5
110.04227	0.8
111.01873	1.7
121.02852	20.2
122.03651	10.5
123.00751	2.3
123.04410	95.9
124.01520	2.3
124.03964	1.4
124.04793	5.8
125.03490	1.1
133.02867	7.3
134.03516	4.3
136.01564	100.0
137.01845	5.3
149.02348	7.6
150.03101	2.8
151.03920	92.7
151.07562	2.3
152.00113	2.4
152.01166	1.5
152.03302	1.7
152.04398	7.6
152.07153	0.8
154.02611	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61230	1.4
53.27992	1.2
55.01757	3.6
58.00455	1.6
59.01254	23.3
65.99717	1.3
66.03360	8.7
68.01286	1.2
68.99696	1.4
71.01253	48.3
71.56957	2.2
72.99193	2.2
73.02812	13.3
79.01757	2.0
81.03345	1.2
83.01249	1.9
85.02810	2.3
89.02312	15.5
91.03922	2.7
93.03344	2.0
95.01269	3.3
101.02331	21.2
105.03352	1.8
107.04939	3.6
108.01940	62.9
108.04426	11.1
109.02226	1.8
109.02848	2.3
109.03959	1.7
117.01826	3.8
119.03422	1.8
121.02818	1.8
122.03659	7.6
123.00765	3.1
123.04414	20.4
124.01539	2.6
124.03961	2.2
126.02957	6.7
136.01552	33.4
151.02524	100.0
151.03889	25.0
151.05919	10.5
152.01068	3.1
152.03473	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	149.06
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	1.9
60.44143	1.7
65.19203	1.9
65.99702	2.5
69.99495	8.6
71.01245	3.6
71.18108	1.6
75.00727	3.7
86.41695	2.0
89.02315	7.2
93.03329	4.2
102.04632	5.9
103.05426	14.4
104.56839	1.8
108.02055	2.6
120.01946	2.8
121.02852	30.8
130.03189	3.7
130.04146	75.8
131.04936	100.0
132.05254	5.2
149.02328	6.7
149.03424	2.9
149.05991	7.1
150.00066	3.8
150.03001	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	149.06
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07850	1.3
52.58874	1.4
55.62843	1.0
59.01249	1.2
64.01783	2.0
65.01315	5.1
65.99722	6.6
67.02883	4.4
69.66863	3.8
69.67287	4.6
71.01286	1.2
71.23076	1.1
77.03835	1.3
79.02888	2.4
81.04465	3.1
83.02340	1.6
89.02340	3.9
92.02420	2.0
93.00819	1.3
93.03345	5.1
94.02888	1.9
95.01251	1.5
95.02391	2.0
98.20483	1.6
102.04646	7.7
103.05421	15.9
106.03987	5.5
107.02428	2.3
107.03636	1.3
108.01949	2.6
108.05563	2.5
109.03957	2.3
114.23566	1.2
119.02438	2.0
120.01907	4.9
121.02850	28.9
121.03838	2.3
121.06458	1.2
121.33534	1.2
122.02380	2.7
122.03505	2.5
123.01905	4.4
130.04141	89.2
131.04939	100.0
132.05240	9.4
134.03638	1.2
149.01285	1.6
149.02342	8.9
149.03477	6.1
149.04539	3.4
149.06110	5.9
150.00096	2.3
150.03027	6.2
150.05443	2.0
150.06583	2.7
163.54723	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.06
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35336	1.9
54.21074	2.2
62.81514	2.2
71.27538	3.3
71.27871	3.2
71.76011	2.5
93.18867	2.3
102.04613	9.6
103.05418	19.7
121.02833	4.5
130.03195	5.2
130.04144	100.0
131.04944	92.9
132.05240	8.8
145.67407	2.2
149.05951	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	149.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60525	1.6
58.00452	2.2
59.01255	16.2
59.42170	2.1
65.99744	2.0
69.03312	2.8
70.91590	3.8
71.01257	22.1
72.99173	20.9
73.02827	14.5
75.00742	100.0
76.01062	1.8
83.02411	2.2
85.02804	3.2
86.99131	1.7
87.00741	8.5
89.02319	59.1
93.03332	4.0
103.03914	3.4
121.02847	14.0
123.04409	1.7
125.81425	1.7
131.03416	9.1
133.01480	5.5
134.03891	1.8
149.02359	7.4
149.04457	38.5
149.05698	3.6
150.00125	2.0
150.03000	2.3
150.06595	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	149.06
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	2.4
59.15289	1.2
59.74863	1.4
59.88037	1.4
64.01797	2.7
65.01325	9.8
65.03831	1.6
65.99729	10.4
66.03350	1.8
67.02885	10.3
68.01281	1.8
68.99691	1.6
70.42693	1.3
71.01261	3.3
71.57015	1.5
71.57463	2.3
75.00774	1.4
76.51991	1.3
78.76655	1.4
79.02828	1.9
81.04469	4.8
82.02849	1.9
83.02373	3.2
85.03935	1.6
89.02312	5.0
91.02889	1.8
92.02447	4.2
93.02758	2.4
93.03342	35.5
94.02834	2.4
94.99191	6.6
95.01272	7.9
95.02394	2.1
95.04879	1.5
102.04617	2.1
103.05417	3.7
105.03294	1.5
106.02896	1.6
106.03992	13.8
107.02410	3.7
107.03560	3.2
108.02057	33.0
108.04456	1.4
108.05562	5.3
109.02376	2.1
109.03940	3.2
119.02389	1.6
120.01977	3.8
121.01964	1.7
121.02847	29.8
122.02373	2.9
122.03426	5.0
123.01862	3.1
123.05624	1.4
130.04140	28.4
131.04944	31.6
132.05347	4.6
134.03641	2.3
149.01122	2.4
149.02342	12.2
149.03471	5.1
149.04694	5.7
149.05992	100.0
150.00140	4.1
150.01907	1.9
150.02983	7.3
150.05371	1.9
150.06435	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	149.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22514	0.8
57.73395	0.8
60.93005	0.9
64.01779	2.8
64.08084	0.8
65.00178	0.9
65.01312	5.5
65.99737	4.9
67.02882	3.2
69.53620	6.2
71.01249	1.5
73.02850	0.9
75.00719	1.3
77.01264	1.0
79.02882	1.3
81.04459	2.9
83.02418	1.3
89.02333	4.0
91.02885	1.1
92.02448	1.6
93.03342	4.8
94.02873	2.5
94.99183	2.5
95.01260	1.3
95.02406	1.4
95.04911	1.9
102.04627	8.0
103.04784	1.5
103.05422	16.2
104.05734	1.2
106.01620	1.1
106.04006	7.5
107.01227	0.9
107.02399	3.2
107.05992	0.9
108.02013	3.7
108.05566	2.7
109.04023	1.7
110.58389	0.8
119.02444	1.3
120.01941	2.1
121.02850	27.3
121.03834	1.3
121.05077	1.1
121.06444	0.9
122.02351	1.8
122.03436	2.8
123.01906	2.2
123.04414	1.3
126.00363	0.8
130.02740	1.2
130.04146	93.5
131.04947	100.0
132.05266	10.0
134.03656	0.9
147.84261	0.9
149.01123	1.5
149.02321	8.7
149.03462	3.3
149.04622	4.3
149.06009	10.9
150.00093	3.3
150.01898	0.9
150.02946	4.3
150.05489	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	147.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77964	1.0
61.33869	1.1
65.71317	1.3
71.04895	1.3
71.27651	2.4
72.99184	100.0
73.99512	1.8
75.00748	45.2
99.38663	1.2
101.05987	1.8
147.04439	3.4
147.06538	33.5
148.06821	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	147.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10014	1.2
67.55212	1.4
70.09343	5.8
71.01231	1.7
72.99178	100.0
73.99516	3.4
75.00742	39.8
101.05920	1.6
113.58315	1.3
135.82022	1.4
147.06534	31.9
148.06905	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	147.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10582	1.1
55.01764	1.4
57.03325	16.1
57.04588	0.9
59.01251	8.7
59.64391	1.0
70.39035	1.1
71.01260	2.8
71.04892	10.3
71.15905	3.1
72.99182	100.0
73.02827	1.4
73.99507	2.5
75.00748	47.4
76.01095	1.2
81.31213	1.2
83.04888	2.6
85.02825	51.3
86.03159	1.8
87.00752	55.0
88.01071	1.8
98.02341	1.7
101.02330	4.1
101.05949	5.2
103.03891	5.4
118.04990	2.3
119.04961	1.4
129.01833	10.2
129.25183	1.1
132.99931	1.1
147.02913	9.3
147.04556	5.2
147.06529	37.5
147.47379	1.1
148.05037	1.9
148.06992	1.3
151.72530	1.1
155.34796	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22508	0.8
59.01256	1.8
65.01314	3.4
65.99729	1.6
69.00148	0.9
69.44344	8.1
70.02824	0.9
72.99179	100.0
73.99519	2.2
75.00745	52.1
76.01086	1.1
90.00853	1.1
98.20475	2.1
101.05946	1.9
105.04453	2.2
106.03993	2.3
111.83899	1.0
119.04948	1.2
120.01926	2.1
121.03957	1.6
134.84656	0.8
147.01936	1.6
147.03026	2.1
147.04413	3.5
147.06535	38.2
148.03978	1.8
148.05069	7.4
148.06937	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	147.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09226	0.9
57.03325	3.4
58.26648	0.9
58.37751	0.8
59.01248	3.0
62.34295	0.9
65.28939	0.9
70.18204	4.9
71.01246	2.4
71.04890	4.4
72.99184	100.0
73.99528	2.3
75.00748	45.9
83.04908	1.3
84.47057	0.9
85.02827	9.6
87.00752	5.1
99.53246	0.9
101.02325	1.8
101.05969	3.0
103.03898	2.2
109.23854	0.9
125.30506	0.9
129.01794	2.4
145.65628	0.9
147.04564	5.4
147.06534	37.9
148.06873	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	147.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91166	1.0
57.03315	1.5
58.48737	1.1
59.01241	4.3
64.00507	1.3
64.01778	2.2
65.01323	14.4
65.99715	6.3
67.02869	1.6
68.01288	1.1
70.02845	1.4
70.64767	1.0
71.01230	3.6
71.56456	2.0
72.99179	100.0
73.99516	2.3
75.00746	45.7
77.01322	2.9
79.02892	2.6
81.04450	1.5
85.02824	1.7
90.00862	1.9
91.02885	2.5
92.02396	2.1
94.02870	1.4
101.05939	1.2
102.31375	1.1
103.68823	1.1
105.04466	4.8
106.02831	1.7
106.03994	10.0
107.02405	2.1
118.04028	1.9
119.02427	2.2
119.04909	5.8
120.01920	5.1
120.04330	1.2
120.05534	3.8
121.03941	4.5
129.03351	1.1
147.01875	2.5
147.02966	3.6
147.04393	14.2
147.06534	39.2
148.03870	1.8
148.05063	18.7
148.06912	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	147.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11578	1.9
52.25252	2.0
70.92121	5.1
72.99181	100.0
75.00750	50.9
75.01108	1.0
75.01183	1.8
83.58031	1.4
86.30482	2.0
87.17551	1.6
104.90631	2.0
110.25321	1.7
117.38748	1.6
146.55185	1.6
147.04425	4.3
147.06531	35.4
164.98476	1.7
168.21227	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
61.24602	3.0
64.01777	2.7
65.01329	8.9
65.99728	4.3
69.23049	2.4
69.23999	32.1
69.24321	3.0
72.99181	13.0
75.00769	6.3
93.03368	4.2
105.04475	8.1
106.04013	10.0
119.04929	17.2
120.01923	4.0
120.05604	5.2
129.03357	8.5
147.01932	3.7
147.04424	100.0
147.05583	5.4
147.06577	7.7
148.05026	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	147.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	4.1
59.01241	8.0
61.07426	1.3
65.01318	1.3
68.08887	1.5
70.02833	1.8
70.16041	5.3
70.43361	1.4
71.01242	5.8
72.99179	100.0
73.02888	1.2
73.99529	1.6
75.00745	48.6
85.02814	5.5
87.00752	3.5
99.00766	1.8
102.27865	1.5
119.04889	2.0
120.06535	1.5
120.07675	1.4
128.59486	1.2
131.58438	1.6
147.01904	4.1
147.04337	4.4
147.06538	31.4
148.03958	2.3
148.05057	2.7
148.06021	2.0
148.07005	2.1
165.16306	1.5
165.20764	1.2
169.36867	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36615	1.1
59.01233	2.3
65.01320	4.5
65.99709	2.6
67.02859	1.0
67.36089	1.0
71.01250	1.3
72.99187	15.7
75.00748	10.5
75.02267	1.5
91.02854	1.1
91.05420	2.9
92.02428	1.4
93.03337	3.4
101.03827	1.0
103.05434	1.9
105.03338	1.9
105.04436	1.3
106.04002	2.9
118.04033	1.7
119.02385	1.4
119.04922	24.7
120.04398	1.3
120.05353	1.8
121.02866	1.2
121.03967	2.3
129.03366	4.3
146.03568	2.0
147.01921	3.2
147.04425	100.0
147.06522	5.9
148.03844	1.4
148.04932	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	147.0443
Annotation	4-Hydroxycinnamyl aldehyde
Peak:m/z	Relative Intensity
68.93336	0.9
71.12320	3.3
93.03345	3.1
103.84283	1.0
117.03329	1.4
119.04910	12.6
120.05364	1.1
129.03372	5.0
135.48183	1.1
147.04427	100.0
148.04762	9.2
162.61783	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75967	0.4
51.71719	0.4
54.89271	0.5
57.03324	0.4
59.01251	1.9
64.01804	1.1
65.01318	6.4
65.99712	2.5
66.00826	0.5
67.02888	1.0
67.67799	0.5
69.33572	5.0
71.01251	1.6
72.99183	14.3
75.00751	8.8
75.02270	1.0
77.01286	0.6
77.24453	0.6
79.02892	1.5
82.04004	0.6
85.02831	1.0
87.00740	0.7
90.00851	0.6
91.02863	0.9
92.02407	1.0
93.03318	3.0
105.04469	5.2
106.02863	0.7
106.03983	5.4
117.03333	1.5
118.03973	1.1
119.02406	0.6
119.04928	14.4
120.01843	1.0
120.05521	2.1
121.02916	0.7
121.03961	1.6
123.02891	0.5
129.03368	5.4
130.03983	0.7
133.02737	0.7
147.02049	3.9
147.04425	100.0
147.06540	5.9
148.04924	12.9
148.06929	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	27.1
59.01253	9.4
60.22949	0.8
69.79017	4.1
69.79424	1.3
71.01234	1.8
72.99187	17.3
73.02828	0.9
73.89294	0.7
75.00754	7.3
85.02827	71.2
86.03185	3.6
87.00755	100.0
88.01106	2.6
93.86279	0.7
97.79913	0.7
97.95899	0.7
101.02313	3.8
103.03891	8.7
124.15376	0.8
129.01837	14.6
130.02202	1.3
135.57741	0.7
138.51537	0.8
139.84653	0.8
144.81879	0.7
147.02904	18.2
147.04123	1.6
147.06546	6.2
148.03307	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	145.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28691	0.6
63.25323	0.5
64.01790	0.7
65.01324	2.9
66.32077	0.6
69.65722	2.6
69.66133	1.4
77.01318	1.9
81.04443	0.7
83.04893	1.6
97.06467	6.3
98.06784	0.6
99.08037	100.0
100.08385	5.5
105.03194	0.7
110.31834	0.6
116.02490	0.9
117.03360	0.6
118.02855	1.3
118.04000	5.2
119.02398	2.7
127.07535	2.3
143.07014	1.2
145.02913	1.2
145.03969	1.0
145.05060	3.5
145.08604	27.1
146.02377	3.8
146.03494	2.2
146.07118	0.9
146.08978	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00214	5.1
51.43227	5.0
54.25122	4.7
55.92028	5.6
57.03323	6.8
64.01781	6.5
65.01335	21.7
65.99717	11.6
68.77097	5.9
71.01253	7.4
71.04897	15.0
71.49024	6.6
74.02347	11.4
83.04888	6.1
87.00730	7.2
91.02891	14.1
99.04398	6.9
99.08035	85.7
101.05957	8.8
103.01684	7.5
116.02441	8.8
117.03355	21.4
118.02875	19.6
118.03999	26.5
119.02412	29.1
130.02754	7.0
143.07045	8.8
144.02008	9.9
145.01509	7.7
145.02805	20.8
145.03940	18.2
145.04953	28.6
145.08620	100.0
145.99925	6.9
146.02383	60.7
146.03520	32.3
146.07132	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	146.045
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	3.3
59.01241	6.1
71.01244	4.6
71.56290	4.1
72.66453	2.3
72.99174	4.4
74.02349	5.7
75.00743	6.3
84.04422	3.7
85.02824	17.9
87.00784	5.1
102.05486	100.0
104.65246	2.7
110.04313	3.1
117.96742	2.2
128.03418	29.6
128.05380	3.4
129.03741	4.9
146.02336	5.3
146.04474	9.8
147.04417	7.7
154.47775	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	145.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00225	0.8
54.10410	0.5
64.01781	1.3
65.01306	3.8
65.99714	1.9
66.00841	0.6
70.99244	1.4
72.99179	0.6
73.02818	0.9
75.05020	0.5
77.01332	2.5
79.17945	0.5
81.04429	1.3
83.04870	0.7
89.01275	0.7
89.70551	0.5
90.00842	0.6
91.02900	1.8
92.02429	0.9
97.06474	2.7
99.08034	100.0
100.08382	6.6
105.03204	1.1
105.04446	1.2
116.02438	1.0
117.03337	0.5
118.02864	2.1
118.03990	9.5
119.02412	3.7
119.03213	0.6
119.03472	0.5
119.04277	0.6
127.07520	2.1
141.79848	0.5
143.07005	2.0
144.01930	1.2
145.01558	0.5
145.02884	0.9
145.03963	2.4
145.05075	6.2
145.08603	31.9
146.02361	5.5
146.03493	3.6
146.07149	1.9
146.08934	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0649
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
65.01321	12.1
66.38427	3.6
70.34400	7.9
77.01337	6.0
81.04456	3.6
89.36974	4.1
99.08047	7.7
101.05910	3.5
102.04661	9.2
103.01664	3.9
103.05438	6.3
105.03223	4.3
108.31539	3.5
117.03299	6.2
118.02919	9.1
118.04002	27.4
119.02392	7.7
130.04143	100.0
131.04459	4.7
143.04929	7.7
144.05696	13.4
145.02814	11.4
145.03987	7.6
145.05064	17.7
145.06490	59.8
146.02373	23.5
146.03473	13.6
146.06931	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00961	5.8
55.16145	6.4
57.03321	10.7
58.00472	5.8
59.01260	34.4
65.99699	5.4
70.33096	10.3
70.33489	11.2
70.91980	5.3
71.01256	100.0
71.02533	6.2
72.99176	19.9
73.02821	6.7
74.02343	22.8
83.01250	27.7
83.04899	11.3
84.04425	15.3
84.29500	5.5
87.00753	62.9
99.00764	26.2
101.02322	17.8
102.05486	14.1
108.43518	5.3
109.03932	8.7
115.00235	37.2
118.02873	17.9
127.00258	12.3
127.05045	23.9
128.03409	12.9
144.98668	8.6
145.01363	21.4
145.03914	14.0
145.05966	7.8
145.08624	7.7
146.02422	39.2
146.03404	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	145.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00220	1.7
53.70430	1.3
57.03323	1.1
64.82399	1.3
65.01314	8.2
65.99715	3.3
66.00822	2.7
71.57282	1.7
71.57695	1.9
76.81065	1.0
77.01327	3.6
81.03310	1.9
81.04474	1.3
83.04929	2.0
89.03873	1.6
90.00859	2.7
91.02910	3.0
92.02424	1.5
97.60838	1.2
97.77053	1.2
99.08036	4.2
101.05962	1.6
102.46009	1.2
103.02940	1.7
105.03225	2.7
116.02423	3.2
117.03349	100.0
118.02876	4.9
118.03858	10.7
119.02382	8.6
119.03574	2.5
130.02769	1.4
144.01921	4.1
144.03020	2.0
145.01526	4.2
145.02843	39.6
145.03967	6.2
145.04988	11.5
145.07562	2.7
145.08618	2.1
146.02357	12.2
146.03450	10.1
146.07143	1.4
155.24493	1.2
156.66727	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	145.061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	9.5
57.03335	12.2
58.02859	25.5
59.01254	31.2
67.02908	6.7
69.50299	11.0
69.50713	35.8
70.02834	13.1
71.01260	100.0
72.00799	11.7
72.04424	8.0
72.99187	19.5
73.02834	12.5
74.02350	99.1
76.63792	5.5
82.02866	17.6
83.01265	21.7
84.04428	94.0
87.00751	48.1
89.02359	5.9
98.02349	30.0
98.19821	11.4
99.00770	24.5
99.05522	12.7
100.03858	7.8
101.02335	15.4
101.06032	5.6
101.07074	15.0
101.29356	5.2
102.05482	62.4
107.01541	5.6
109.03950	38.7
110.10231	5.4
115.00279	19.1
116.03453	9.7
118.92065	5.9
125.03457	14.2
127.00266	11.2
127.05017	91.7
128.03430	70.1
128.05408	6.6
142.36188	5.4
145.01353	17.9
145.06079	49.5
146.02350	6.0
146.04485	6.4
146.87459	5.8
164.93260	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00190	20.5
58.02823	15.6
59.01241	26.0
64.52596	14.9
69.03310	14.8
70.46262	37.5
71.01243	100.0
71.04870	18.3
71.65222	13.1
83.04903	21.0
85.02819	42.2
87.00735	15.6
96.99182	23.0
97.02784	29.4
98.52081	16.1
99.00717	15.9
100.07536	23.0
102.05481	24.9
104.33712	14.3
112.98686	25.7
120.11388	13.5
124.98675	88.8
125.02358	14.9
140.98227	16.5
142.98813	21.9
142.99113	14.9
142.99823	96.3
143.03387	28.6
143.06987	18.7
144.04469	72.7
144.10176	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	144.0446
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
50.00216	1.1
51.31594	0.5
55.84145	0.5
64.01793	0.7
65.01316	2.0
65.03793	0.6
65.99728	0.8
69.77591	3.4
72.07775	0.5
73.02845	0.7
73.29160	0.6
77.01326	1.2
78.98542	0.6
89.01330	1.2
90.00851	0.7
93.03333	12.4
94.03655	0.9
96.09123	0.6
99.08070	0.7
101.05962	0.6
105.03140	0.8
114.26944	0.5
116.02445	1.0
116.04922	1.3
117.03355	3.5
117.04087	0.5
118.02908	0.9
118.04008	5.1
143.03564	1.2
144.02133	3.1
144.04453	100.0
144.05440	4.3
145.02852	1.4
145.03911	2.1
145.04890	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	144.0447
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
58.02853	0.3
59.01239	0.3
63.35513	0.3
64.01791	0.5
65.01321	1.6
65.99717	1.4
68.83237	0.2
69.45916	2.5
71.01254	0.4
72.01572	0.3
77.01342	0.6
81.03348	0.3
82.51233	0.3
83.04900	0.7
87.00758	0.4
89.01341	1.3
90.00851	0.3
91.02889	0.3
91.12570	0.2
92.92195	0.2
98.19798	0.6
99.08046	2.0
101.05925	0.3
102.90923	0.3
103.02906	0.4
104.02441	0.5
105.03245	0.7
112.65904	0.3
116.02445	1.0
116.04945	2.9
117.00866	0.6
117.03343	1.3
117.04456	0.7
118.02864	0.5
118.04001	4.7
126.03420	1.4
127.03838	0.4
127.05045	0.4
141.72652	0.3
142.02928	0.8
143.03603	0.6
143.04814	0.7
144.02153	2.2
144.04460	100.0
145.01555	0.6
145.02826	1.3
145.04852	8.6
145.07562	0.3
145.08641	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	15.5
55.29628	4.8
65.99088	5.3
67.01759	23.3
67.02879	7.2
68.01273	11.3
69.03333	9.9
70.02847	7.8
71.56982	6.0
82.03993	32.5
83.01264	10.0
83.02393	10.3
93.03327	53.7
94.97966	5.6
96.04450	11.9
97.03965	20.0
98.02368	10.9
98.03479	17.3
109.03970	9.3
111.00767	83.7
111.04424	12.2
121.02874	29.3
124.01580	7.1
139.00261	48.6
139.02887	6.1
139.03918	100.0
139.04977	6.4
139.07524	8.3
140.01044	11.0
140.02432	23.2
140.03383	9.3
140.04407	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84247	1.0
53.00204	1.2
58.02850	14.4
59.01257	1.9
63.06622	0.9
71.01250	7.7
71.55817	1.5
72.99182	1.6
81.98775	1.0
83.01292	1.5
84.04465	1.5
85.02818	5.4
87.00754	2.6
90.98628	1.1
96.99171	1.8
97.02873	1.2
98.05995	8.2
99.04443	1.3
100.03923	100.0
101.04259	2.8
111.00826	1.6
112.98633	1.3
117.13718	1.0
122.12062	1.1
124.98703	10.6
125.02332	1.6
142.04967	6.4
142.99814	4.7
143.03426	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	137.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
60.25167	1.2
64.25770	1.4
65.00149	1.3
65.01312	1.7
65.03832	4.8
65.99723	1.8
66.03353	2.7
67.01768	4.0
67.02883	2.7
71.57165	1.6
77.03845	3.7
81.03347	3.7
83.01252	2.0
93.03336	100.0
94.02881	1.4
94.03682	4.7
95.04896	26.1
95.36841	1.5
96.00813	1.7
96.05240	1.3
105.03363	3.8
107.04192	2.4
107.04906	42.6
108.02064	9.4
108.05231	2.5
109.02848	28.5
109.03955	1.8
111.01935	1.5
121.02789	2.6
122.03629	2.1
123.04412	80.8
124.04757	6.6
136.01511	4.0
136.89061	1.3
137.02344	86.8
137.05974	4.7
138.01776	2.3
138.02740	6.0
146.84335	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0187
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
55.01751	0.3
57.82858	0.3
60.01014	0.3
66.00846	0.5
67.01751	0.7
67.02892	0.4
68.01283	1.0
69.17709	0.3
71.01236	0.3
72.89941	0.3
83.01244	0.4
93.03330	0.8
94.03654	2.1
95.01250	0.5
95.04962	0.4
96.05568	0.7
97.02825	0.3
97.03947	0.9
98.45449	0.3
108.02051	75.7
109.02375	4.5
111.00749	2.1
112.94335	0.3
113.22566	0.3
120.01955	0.4
123.03143	0.6
124.04739	0.3
137.01897	0.3
138.01866	100.0
139.00287	1.1
139.02208	6.4
139.03909	0.8
139.04979	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	2.1
61.75114	0.5
67.01754	2.7
68.01286	1.2
68.99686	1.4
69.03311	1.0
69.34381	2.5
69.34819	2.3
70.82014	0.4
71.01220	0.4
82.03980	2.2
83.01263	1.8
83.02366	1.2
83.04897	0.5
85.89356	0.5
93.03335	12.0
94.03691	0.9
94.97964	0.6
95.01227	0.9
95.04932	1.1
96.04429	1.2
97.02853	0.8
97.03963	1.0
98.02358	1.6
98.03494	0.5
106.04124	6.4
108.02048	3.9
109.03959	0.5
111.00757	11.9
111.04400	0.7
112.01063	0.6
121.02828	0.7
124.01545	1.5
137.00549	3.6
138.03120	1.7
139.00291	6.6
139.02127	100.0
139.03897	5.7
139.07530	1.0
140.02441	8.4
140.03433	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	137.0235
Annotation	4-hydroxy-benzoate
Peak:m/z	Relative Intensity
50.00222	1.0
55.35705	0.8
61.94106	0.6
65.01315	3.4
65.03823	2.2
65.99715	3.2
66.00828	2.3
66.03377	3.5
67.01781	1.0
67.02883	6.7
68.01276	4.3
68.99668	0.8
69.03315	0.6
69.46036	5.6
81.03328	2.1
81.04438	1.6
82.02849	1.5
83.01235	1.0
83.02380	1.1
91.01780	1.4
93.03337	100.0
94.02855	2.7
94.03648	6.1
95.01275	1.1
95.02396	1.9
96.00780	2.1
96.04383	1.0
96.05530	1.0
97.02792	0.7
101.66322	0.6
107.02413	0.7
108.02055	11.8
109.02864	7.9
109.03986	2.1
110.02382	2.4
110.03482	1.4
111.01899	1.0
119.01273	0.7
119.02390	1.1
120.01950	1.8
123.03153	1.3
124.19913	0.7
136.00571	0.9
136.01575	6.0
137.00713	1.0
137.02365	41.3
137.03448	5.2
137.06046	0.8
138.01877	7.2
138.02832	3.2
138.05511	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83444	0.7
58.02829	1.2
62.88555	0.7
64.79159	0.8
65.03841	1.5
70.70135	2.9
70.74049	0.8
71.48113	0.8
77.96429	2.8
81.03342	1.1
91.01817	1.1
93.03333	100.0
94.03108	0.7
94.03668	5.2
95.97519	1.1
108.02048	8.2
109.02863	6.2
110.02363	1.2
113.43197	0.8
123.03160	0.9
136.01547	3.1
137.00578	51.3
137.02315	34.1
137.03429	1.7
137.05968	1.0
137.98570	1.5
138.00888	2.6
138.01872	4.2
138.02769	1.1
138.88330	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0235
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72532	0.2
65.01318	0.5
65.03834	1.4
65.99692	0.2
66.00859	0.3
66.03363	0.3
67.02881	0.9
68.01279	0.7
69.24677	0.2
69.25276	1.8
83.01238	0.4
88.20486	0.2
93.03334	100.0
93.66879	0.2
94.03669	6.2
94.60585	0.2
95.02366	0.3
96.00787	0.5
104.47828	0.2
108.02036	1.2
109.02845	0.8
110.02351	0.3
111.01904	0.4
120.01917	0.5
136.01570	0.3
136.88995	0.3
137.02344	14.0
137.03313	0.5
138.01830	0.9
138.02748	0.8
138.05519	0.3
149.01866	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00218	0.7
57.03312	1.8
58.02822	0.5
60.61110	0.5
62.57692	0.5
62.90973	0.5
64.01805	1.3
64.70221	0.6
65.01315	4.5
65.03840	1.8
65.99711	2.0
66.00834	0.9
66.03361	1.6
67.02882	6.0
67.06579	0.6
68.01284	1.6
69.42825	4.0
79.02892	1.7
81.03319	1.4
81.04450	1.7
82.02839	1.1
82.36992	0.6
83.01267	1.3
83.02349	0.6
83.04883	1.6
87.71455	0.6
91.02876	0.8
92.04936	100.0
93.03338	77.9
93.04317	0.7
93.04594	0.7
93.05257	5.5
94.02870	1.8
94.04021	1.2
95.01274	0.6
95.02387	3.2
95.04888	2.6
96.03172	3.7
98.20227	2.4
106.03996	10.0
107.04936	3.5
108.02063	5.3
108.04422	1.6
109.02854	5.5
109.03968	4.2
110.02364	0.9
110.03492	0.6
118.04032	2.8
121.02711	1.0
122.03584	1.1
123.04404	5.7
123.46552	0.6
135.00804	0.9
135.08098	0.7
135.89423	0.7
136.01537	3.8
136.03947	11.1
136.05016	7.1
136.86238	1.2
136.89087	2.5
137.02365	27.6
137.03429	3.3
137.04370	0.9
137.06001	1.1
137.09657	2.7
137.37505	0.6
142.47838	0.6
150.25136	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80260	1.5
63.34263	2.2
64.01797	3.8
65.01321	18.7
65.99723	11.2
66.00844	2.5
66.03371	6.2
67.02898	4.6
68.01288	2.8
70.40371	6.1
75.00762	7.4
79.02907	3.1
85.02857	2.1
91.02909	2.8
91.05420	2.0
92.02451	7.8
92.03252	2.0
92.04961	6.0
93.03338	12.4
93.04498	3.2
94.02874	2.7
95.02388	3.4
95.04944	5.2
96.03202	6.5
106.04064	32.7
107.02431	3.2
107.04926	100.0
108.02045	16.5
108.04531	2.9
108.05309	6.2
109.03970	3.7
118.04044	5.6
120.03193	2.1
121.02818	1.9
123.04404	14.2
123.05136	1.5
134.03642	31.2
134.86537	2.0
134.89445	2.7
135.01918	6.9
135.03000	3.5
135.04457	64.0
135.05418	2.6
136.00591	1.9
136.01559	7.3
136.03979	4.3
136.05049	15.2
138.03201	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	136.0394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01280	0.3
65.00191	0.3
65.01316	0.8
65.03834	1.3
65.99699	0.6
66.03360	0.3
67.01736	0.5
67.02876	2.0
71.57610	0.4
78.95776	0.5
81.03344	0.4
81.04450	0.6
92.04936	100.0
93.03338	71.6
93.04302	0.4
93.04610	0.9
93.05251	6.5
94.02845	0.7
94.03983	0.4
95.01269	0.6
95.02392	1.1
95.04901	0.8
96.03174	1.0
99.92461	0.4
106.03999	1.7
107.04930	1.1
108.02052	3.0
108.04426	1.3
108.05231	0.4
109.02861	3.8
109.03952	1.1
118.04011	0.7
122.03577	0.3
123.04397	1.3
132.84549	0.3
135.89352	0.6
136.01587	2.7
136.03935	8.5
136.04881	2.9
136.86191	1.7
136.89059	0.9
137.02347	22.5
137.03343	1.0
137.05946	0.8
137.09647	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.8935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93492	0.2
58.44275	0.2
60.66074	0.2
81.21581	0.2
91.22475	0.2
92.04903	0.3
93.03300	0.3
95.84142	0.2
98.19801	0.7
99.92456	8.6
100.92490	0.7
106.44358	0.2
107.04893	0.6
134.03665	1.1
134.04492	0.2
134.89363	100.0
135.04402	6.2
135.05423	0.3
135.89372	9.7
136.04793	0.5
150.92329	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00228	2.0
60.09072	1.6
64.01788	3.6
65.01318	18.4
65.99721	11.2
66.00854	2.0
66.01669	2.2
66.03352	2.3
67.02891	4.6
68.01286	2.6
71.01273	2.9
71.06331	3.6
71.94111	1.4
72.99185	1.7
75.00753	9.6
79.02888	2.7
81.04455	3.1
85.02839	2.2
91.01761	1.4
91.02889	2.6
91.05411	4.5
92.02429	8.1
92.04944	5.8
93.00835	2.3
93.03339	15.0
93.04475	3.3
94.02881	1.9
95.01328	1.3
95.02423	1.8
95.04889	3.1
96.03168	3.0
97.32766	1.4
105.04479	2.1
106.04057	29.3
107.02405	2.7
107.04913	93.1
108.02057	19.7
108.04478	3.0
108.05286	6.1
108.36136	1.3
109.03968	5.5
115.82549	1.5
117.03355	1.9
118.04009	2.5
120.03183	2.2
121.02738	2.0
123.04391	10.5
134.03636	21.0
134.86401	1.9
134.89394	3.8
135.01923	7.6
135.02852	3.3
135.04433	100.0
136.01421	6.7
136.03914	5.1
136.04985	16.6
138.03142	2.7
139.22995	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	135.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00239	1.4
50.60304	0.9
57.87921	1.2
59.01245	1.6
59.17926	1.0
64.01798	3.0
65.01310	8.6
65.99725	7.8
66.00838	2.0
66.01656	1.1
66.03353	2.2
67.02888	2.9
71.52885	1.4
72.48994	1.0
72.99165	1.3
75.00752	5.6
80.01322	1.3
80.22894	1.0
81.04440	1.4
85.02841	1.6
89.02333	1.6
89.03869	1.1
91.02914	1.6
91.05422	5.1
92.02443	3.5
92.04942	28.0
93.00792	1.1
93.03336	25.6
93.04491	2.6
94.02881	3.0
95.01283	3.3
95.02399	3.2
95.04908	1.7
96.03191	4.3
105.04463	1.5
106.04047	13.4
107.02421	1.8
107.04922	34.4
108.02049	23.8
108.04502	1.6
108.05215	2.2
109.04008	2.4
117.03395	1.8
118.03999	2.0
123.04431	5.1
134.03647	24.3
134.04651	1.7
134.86452	1.3
134.89395	1.9
135.01921	3.2
135.04434	100.0
136.01543	9.1
136.03885	3.1
136.04926	11.5
151.40190	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
69.74274	2.4
69.74688	6.1
71.01261	3.8
72.99181	100.0
75.00300	2.4
75.00743	45.5
98.19814	2.1
114.90896	1.6
115.00247	4.0
133.04964	50.3
134.05310	4.3
136.52846	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	133.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52535	1.1
70.87728	2.9
71.01242	1.8
72.99177	100.0
73.99501	1.5
75.00742	51.0
76.01071	1.1
87.04379	2.0
103.31573	1.0
106.79516	1.1
107.03481	2.2
112.09742	1.3
115.00307	1.7
123.14117	1.2
133.04959	59.7
134.04510	2.4
134.05388	2.1
136.37216	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77052	0.8
63.67066	0.8
65.01327	1.8
65.99725	0.9
69.35165	8.0
72.99181	100.0
73.99508	2.0
75.00747	33.9
87.04375	1.8
95.59805	0.9
106.03992	1.5
107.03519	2.3
133.04961	39.9
134.02505	1.0
134.03477	4.3
134.04590	3.1
134.05446	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	134.0463
Annotation	Adenine
Peak:m/z	Relative Intensity
51.85356	0.7
59.07268	0.7
65.01302	1.0
71.33591	1.7
72.01583	0.8
72.99169	1.8
73.99510	2.0
75.00753	2.9
92.02421	10.9
107.03520	38.8
107.04933	2.1
108.03883	1.3
109.50545	0.8
111.69789	0.8
124.03892	0.7
134.04620	100.0
135.04326	3.7
135.05055	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	133.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	2.2
64.88417	0.1
70.63817	0.2
70.64169	0.4
71.01253	82.9
72.01592	2.4
72.99180	23.1
73.99516	0.4
75.00746	1.0
87.00748	1.4
89.02316	8.4
90.02673	0.2
107.35767	0.1
110.56080	0.2
115.00258	100.0
116.00596	4.3
132.86688	4.0
133.01324	20.1
133.04919	0.9
134.01631	0.8
134.04526	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.3
61.57396	0.6
71.01258	64.6
71.33842	1.5
72.01595	1.8
72.99185	100.0
73.99529	2.4
75.00750	43.8
76.01111	0.7
87.00760	1.7
87.04398	1.6
89.02326	6.0
94.19704	0.6
115.00266	69.5
116.00595	3.7
121.90121	0.6
125.30337	0.5
133.01347	13.8
133.04968	45.7
134.05344	1.7
143.17595	0.7
150.94492	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57622	1.2
59.01230	1.1
61.06840	1.0
69.64307	2.4
69.64717	5.5
71.01257	75.5
72.01596	2.4
72.99182	100.0
73.99523	2.0
75.00748	39.8
84.01028	1.1
87.00764	1.4
87.04417	2.2
89.02303	9.2
114.27761	1.2
114.66994	1.2
115.00262	96.0
116.00596	5.0
117.78776	1.1
133.01320	18.1
133.04967	45.2
134.05353	2.2
153.22906	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	2.3
64.18625	1.4
66.65078	0.9
70.23525	4.6
71.01257	82.5
72.01598	3.0
72.99183	99.4
73.99488	2.3
75.00749	41.5
77.70793	1.0
87.00794	1.2
87.04408	1.7
89.02319	8.7
115.00261	100.0
116.00606	5.7
120.19674	1.1
133.01326	22.7
133.04962	49.2
134.01717	1.3
134.05315	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	133.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	2.0
60.14847	0.9
61.86824	0.9
70.90490	3.2
71.01256	79.2
72.01586	2.3
72.99184	100.0
73.99537	1.6
75.00751	31.9
75.99193	0.9
76.36166	1.2
87.00761	1.4
89.02317	8.1
115.00258	76.6
116.00606	2.9
133.01346	12.1
133.04962	29.1
134.04555	1.1
146.56729	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0863
Annotation	L-Norleucine
Peak:m/z	Relative Intensity
57.30658	1.0
58.36340	0.8
71.02245	1.8
71.02579	0.9
73.02805	1.4
82.91108	0.9
85.02822	2.6
87.04366	1.1
98.20089	1.1
130.08630	100.0
131.03531	1.9
131.08997	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	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
70.69784	2.6
70.70142	1.9
73.06720	1.0
83.06850	1.2
102.04641	16.3
102.05257	1.1
103.05434	24.4
104.05783	1.9
104.17782	1.0
130.04144	100.0
131.04951	78.6
132.05310	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	132.0293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.6
70.02854	0.4
71.01250	78.5
71.57489	0.2
72.00780	0.5
72.01564	0.1
72.99176	17.9
75.00761	0.4
87.00749	1.2
87.04415	0.2
88.03910	15.6
89.02313	7.6
89.04266	0.5
114.01839	0.9
115.00249	100.0
116.00664	0.2
132.02069	0.1
132.02910	3.1
132.86658	0.2
133.01317	20.4
133.04959	0.7
142.62581	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	129.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	9.5
57.03303	8.0
57.24083	3.8
59.01258	11.2
65.01324	5.8
67.01736	5.9
68.99687	14.5
69.80847	25.7
71.01247	8.8
72.99184	7.8
73.02821	10.8
79.73847	3.7
80.96392	6.4
83.01289	4.1
83.04896	12.5
85.02822	13.6
85.06470	8.3
86.05979	5.5
88.03952	4.7
91.01761	4.0
99.00758	5.0
101.02304	9.3
111.00744	8.1
128.99164	97.1
129.01826	22.7
129.03305	5.4
129.04530	4.6
129.05463	26.5
129.99545	6.1
130.04010	49.6
130.08627	100.0
145.00644	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	130.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	6.4
58.02849	1.9
59.01254	2.0
65.01308	1.9
67.80479	1.1
70.02850	5.7
71.01256	4.0
71.02374	1.4
71.55798	1.5
72.00781	2.5
72.99184	1.7
73.02810	7.8
85.02831	17.8
85.06445	2.1
87.04392	6.1
88.03911	5.7
88.44427	1.0
89.01335	1.0
89.97834	0.9
93.76343	1.2
95.02400	3.6
103.02930	1.4
113.02293	2.2
113.03451	6.2
114.01855	8.9
115.91937	1.3
129.03230	2.5
130.04024	22.2
130.04933	1.6
130.08632	100.0
131.03494	14.2
131.04422	2.1
131.08101	1.4
131.08980	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	129.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90384	13.3
57.03313	30.7
59.01250	15.6
67.01740	15.6
68.99700	31.7
69.99274	16.8
70.77625	47.9
71.01254	31.0
72.99171	34.8
73.02827	18.9
77.59086	14.3
83.01265	16.2
85.02837	33.3
87.00746	21.9
88.03922	17.6
94.33369	13.6
99.00736	52.5
100.27201	12.5
111.00757	33.1
129.01819	67.0
129.05487	36.6
130.03983	53.6
130.06509	21.2
130.08640	100.0
142.62645	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	129.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95717	6.3
57.03327	9.7
57.92543	7.4
59.33434	6.2
60.16389	5.7
60.73433	5.9
67.01746	9.5
70.33067	17.0
70.33453	15.3
70.83652	6.4
71.01250	19.0
72.99181	9.5
73.02824	10.4
83.04906	7.9
85.06474	16.1
88.03875	9.2
99.00768	7.9
101.02300	8.6
103.01611	7.3
128.99159	89.9
129.01822	27.8
129.03239	8.4
129.05453	17.9
130.03993	38.4
130.08626	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	126.9944
Annotation	Parachlorophenol
Peak:m/z	Relative Intensity
55.01746	1.1
59.01234	0.9
69.57242	0.6
71.01251	1.2
71.44756	1.4
81.03306	0.8
83.01265	1.1
83.04889	1.2
85.02831	2.8
85.03938	0.9
91.01783	2.9
96.54104	0.5
99.00743	1.0
105.66573	0.6
110.90756	0.9
126.90288	8.9
126.99455	100.0
127.00153	4.4
127.03864	3.0
127.99819	6.0
128.03398	3.9
128.07094	0.8
129.75047	0.6
131.07794	0.5
143.30901	0.5
143.68549	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	11.3
57.03328	13.8
63.00726	4.2
65.31095	3.9
67.01762	13.8
68.99689	6.5
71.01253	6.5
71.56603	7.1
72.25581	3.8
72.99194	6.2
73.02852	5.7
74.21096	3.4
85.02832	30.1
85.06440	4.7
88.03925	46.4
89.76978	3.7
99.00741	4.4
101.02340	6.4
106.27641	3.8
109.94324	3.7
129.01842	11.1
129.03821	5.4
130.04016	21.3
130.08647	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	129.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55406	7.2
55.01743	20.3
55.68649	7.9
56.01976	8.3
57.03312	26.9
57.78484	7.0
59.01253	22.2
59.59872	7.9
60.37527	8.0
66.37191	6.9
67.01766	19.8
67.19745	6.8
67.47842	8.1
68.99690	26.6
70.97759	7.0
71.01253	29.6
71.06370	20.5
72.99185	44.6
73.02808	21.4
78.04797	8.3
78.36944	6.6
83.01270	24.3
83.08630	7.3
85.02820	23.8
85.06471	19.4
87.00785	15.1
87.72159	9.3
88.03904	15.2
99.00758	56.3
101.02324	21.3
111.00764	27.1
111.04404	11.3
129.01808	49.9
129.05475	20.0
130.04022	56.0
130.08641	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	125.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94459	1.7
55.01756	2.0
57.03326	12.5
57.03580	2.6
57.58455	2.1
59.09309	2.1
61.35298	1.7
65.01319	3.5
65.99723	15.9
67.01754	2.5
67.02882	7.7
68.01287	3.2
69.03323	19.6
69.30825	13.7
69.31241	5.2
71.04893	2.0
75.17444	1.7
80.02568	3.9
81.03335	5.8
81.04469	2.6
82.02868	5.5
83.01276	3.3
83.02379	16.7
83.04420	1.9
83.04911	2.5
95.01283	2.0
95.04909	4.6
96.26714	1.6
97.02843	14.4
97.03923	2.7
97.06453	25.6
98.02389	3.0
118.84457	1.9
123.08031	16.3
124.01520	3.1
125.02344	100.0
125.03419	7.9
125.09626	26.5
126.01879	2.6
126.02824	9.0
130.48181	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	126.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.8
55.02884	3.7
58.12919	0.5
59.01256	0.8
66.00855	1.5
68.02409	15.0
69.83397	2.8
71.01263	1.1
71.02375	8.4
81.03307	0.8
83.01128	5.4
83.04929	0.8
85.02840	1.6
85.03999	0.6
91.01775	3.4
95.46001	0.6
96.01889	1.2
98.02363	1.6
98.03483	0.8
99.00739	1.2
126.01984	0.5
126.02986	57.7
126.90311	6.0
126.99455	100.0
127.03922	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	121.0284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42365	0.2
66.03326	0.2
69.44238	0.5
69.44653	1.2
70.28121	0.2
78.25816	0.2
91.01773	0.7
92.02520	0.2
93.03339	2.7
94.02847	0.6
95.01259	0.7
95.02384	0.3
108.02045	3.0
121.02837	100.0
122.02299	0.5
122.03165	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	121.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93572	0.2
56.31620	0.2
65.01311	0.6
66.03358	0.4
67.02882	0.2
69.12197	0.2
69.19054	0.2
70.86186	0.5
79.02885	1.2
82.01561	1.2
83.88160	0.2
91.01775	1.1
91.02939	0.3
92.02449	0.6
93.03332	2.9
94.02851	2.0
95.01264	1.0
95.02386	1.0
96.01588	0.2
105.52024	0.2
106.00372	0.4
108.02048	3.9
108.38689	0.2
120.01968	0.6
121.02842	100.0
122.02343	1.0
122.03255	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	123.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
65.01311	2.7
65.98193	0.7
67.01758	1.4
68.01299	1.0
68.99690	2.5
71.52930	0.8
71.53277	1.1
74.21117	0.7
77.03852	3.4
79.02887	1.3
82.02866	2.4
82.03967	3.0
93.03348	1.9
94.02868	1.2
95.01262	35.4
95.04903	33.9
96.01591	1.2
96.05244	2.4
101.54847	0.6
105.03349	3.5
108.02025	2.0
118.06680	0.8
121.02848	3.0
123.00780	23.4
123.01884	2.6
123.04409	100.0
124.00309	0.8
124.01544	12.5
124.03917	3.3
124.04779	7.8
141.31274	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1197.6794
Annotation	Unknow
Peak:m/z	Relative Intensity
98.19733	2.0
101.63459	0.9
103.80775	0.8
110.98397	1.1
119.04926	1.4
183.01118	35.8
184.01743	1.7
184.09991	0.8
197.02730	7.5
198.03462	1.1
216.00935	2.0
230.02408	1.9
277.21725	2.2
311.16855	100.0
312.17261	5.9
325.18420	28.9
326.18832	5.9
327.18237	2.0
339.20020	1.6
350.32639	1.1
412.80087	1.0
445.23807	1.5
481.25800	1.4
516.07184	1.0
602.91888	0.8
872.51160	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1197.6787
Annotation	Unknow
Peak:m/z	Relative Intensity
88.93360	2.5
96.95895	2.4
106.56318	2.5
113.58791	2.6
183.01157	22.5
184.01785	3.1
197.02698	13.4
230.02412	5.2
255.23198	10.2
256.23581	5.8
277.21753	4.4
311.16931	15.7
325.18399	100.0
326.18643	19.4
327.18509	8.4
344.77536	3.2
415.04193	3.4
452.27710	4.1
453.28033	3.5
537.65558	3.0
573.87537	3.5
651.47223	3.1
1000.71216	3.6
1197.67261	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	119.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00233	2.3
59.01240	2.9
59.09979	1.1
65.01310	3.9
65.99710	3.2
68.01283	1.1
71.01253	1.4
71.27802	2.6
73.02780	1.9
77.46422	1.3
91.02911	2.1
91.05415	1.8
92.01276	1.6
93.00809	1.3
93.03366	5.4
119.02475	6.5
119.04918	100.0
120.01930	4.2
120.04501	2.2
120.05430	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	1191.7043
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01258	0.8
83.04895	0.2
85.02822	1.8
87.00733	1.6
89.02311	4.7
91.03889	0.2
95.01262	0.6
95.04919	0.5
97.02795	1.0
98.19731	0.4
99.00746	0.5
99.04427	0.2
101.02313	7.1
111.00759	0.3
111.04375	0.3
111.08012	0.5
113.02320	3.4
113.09556	0.2
114.76894	0.2
119.03387	1.6
125.02325	2.7
127.69275	0.2
130.52200	0.2
131.03377	0.4
139.03847	0.3
141.01781	0.3
143.03381	1.5
149.04387	0.3
149.09621	0.4
152.99443	0.2
161.04446	1.7
161.13318	0.3
167.10738	1.2
171.10187	0.2
177.12766	0.7
179.05521	2.5
179.10672	0.5
179.14301	2.4
181.12260	0.3
183.01079	0.2
185.04478	0.2
195.13815	11.6
196.14296	0.6
197.02597	0.3
205.12259	4.8
205.15855	0.4
211.13307	0.6
221.06575	1.0
223.13333	44.7
224.13731	1.3
225.14922	0.7
228.13614	0.6
231.21138	0.4
234.83502	0.2
235.08170	2.4
253.09312	0.8
256.13107	1.1
263.07761	0.5
265.21777	0.4
275.20132	4.2
277.21658	0.3
287.07687	0.8
293.21201	100.0
294.21506	3.8
305.08716	1.0
311.16684	0.4
311.69739	0.2
323.09714	1.1
341.10654	0.3
370.05597	0.3
379.12399	2.9
397.13464	29.6
398.13824	1.1
415.14554	10.4
416.14615	0.4
427.19998	0.2
496.13361	0.2
499.34570	1.1
499.40836	0.3
581.29651	0.2
603.26508	8.2
604.26776	0.5
621.27582	15.6
622.28284	1.1
636.26501	0.4
673.34399	4.3
691.35376	5.3
692.35638	0.6
828.41028	0.5
860.41351	0.4
879.47906	0.3
897.48425	13.4
898.48859	1.7
943.12158	0.2
959.25928	0.2
1191.55493	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00220	1.0
58.77835	0.3
59.01243	0.4
61.07413	0.4
61.98774	0.3
65.01327	3.1
65.99711	1.9
68.01298	0.8
77.01331	0.5
78.16446	0.3
91.02877	1.7
91.05419	1.2
92.01299	1.0
92.02431	1.3
93.00817	0.9
93.03334	4.8
98.19763	0.8
104.02533	0.4
112.01307	0.3
117.03359	0.8
118.03951	1.2
118.92567	0.7
119.02488	4.3
119.04913	100.0
120.01965	2.9
120.05529	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	119.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
62.00271	0.6
65.01289	0.7
65.13094	0.7
69.52776	0.7
70.32638	2.2
91.05419	1.9
93.03336	6.3
108.33778	0.7
117.03335	1.8
119.04917	100.0
120.05225	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	119.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00224	1.5
51.51173	0.3
59.01247	0.8
64.01804	0.5
65.01313	3.5
65.99722	3.8
68.01279	1.4
69.43295	0.3
70.40481	0.6
70.40850	0.6
73.02821	0.3
75.76126	0.3
77.01342	1.6
78.99358	0.3
79.02882	0.6
79.95615	0.5
90.00885	0.4
91.02898	2.6
91.05401	1.2
91.79821	0.3
92.01277	2.7
92.02438	0.8
93.00823	1.3
93.03334	4.9
101.92326	0.3
104.02518	0.5
117.03329	0.7
118.03932	0.4
118.92561	0.8
119.02454	6.2
119.04913	100.0
120.01949	2.9
120.02721	0.4
120.04380	0.5
120.05558	15.7
125.51115	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1187.554
Annotation	Unknow
Peak:m/z	Relative Intensity
96.96844	6.4
101.14221	0.2
150.97926	0.6
152.99493	48.1
153.99883	0.5
157.44562	0.2
171.00552	1.0
223.00075	6.6
241.01146	13.2
242.01413	0.4
259.02219	0.7
259.20703	0.4
277.21729	28.5
278.22061	2.0
315.04874	6.2
333.05954	0.7
369.59457	0.2
403.02484	0.2
405.43832	0.3
411.43826	0.2
474.26373	0.5
593.27313	100.0
594.27625	8.2
1083.06128	0.3
1213.25574	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1187.5535
Annotation	Unknow
Peak:m/z	Relative Intensity
88.81812	0.1
96.96844	6.6
127.07501	0.1
128.81160	0.1
130.88051	0.1
150.97949	0.7
152.99495	48.4
153.99817	0.5
157.52011	0.1
171.00563	1.4
223.00085	5.9
224.00510	0.2
233.22725	0.3
241.01155	13.8
242.01430	0.3
243.22066	0.2
259.02258	0.8
275.20114	0.3
277.21722	26.1
278.22049	1.6
315.04883	6.0
333.06052	0.6
373.45309	0.1
593.27313	100.0
594.27649	8.2
594.37427	0.3
899.25055	0.2
1172.50635	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00202	3.8
55.01762	5.1
55.50876	3.0
58.00478	4.2
59.01252	100.0
62.43471	3.1
69.42498	19.5
69.42915	8.3
71.01257	91.2
72.01603	4.4
72.99185	35.8
73.02458	4.0
73.02808	22.6
75.00750	15.2
78.28867	3.1
83.01270	7.2
87.00783	4.2
89.02312	7.7
98.19801	6.7
101.02334	6.1
119.02456	8.9
119.03391	32.1
119.04887	24.6
120.05477	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	1187.5537
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04866	0.1
96.96838	6.8
125.80101	0.1
127.07540	0.1
150.97923	0.8
152.99487	51.7
153.99826	0.5
171.00568	1.6
223.00078	6.9
233.22720	0.3
241.01147	14.0
242.01440	0.2
259.02280	1.0
259.20691	0.3
275.20282	0.2
277.21710	31.1
278.22064	1.6
315.04877	6.2
316.05240	0.1
333.05850	0.7
431.21979	0.2
593.27295	100.0
594.27631	8.1
594.41656	0.2
608.84760	0.1
753.82544	0.1
819.52496	0.1
1042.36865	0.1
1173.37878	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	1181.6249
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04887	0.3
85.47211	0.1
87.30467	0.1
88.28338	0.1
88.83961	0.1
91.63319	0.1
96.96849	1.0
127.07565	0.1
150.97919	0.2
152.99489	16.7
153.99864	0.2
171.00557	1.3
175.95052	0.1
205.12186	0.1
205.19585	0.2
227.03206	2.8
228.86299	0.1
233.22736	0.5
245.04280	1.8
259.20633	0.7
275.20148	0.7
277.21713	100.0
278.19000	0.2
278.22058	4.7
406.72427	0.1
505.25726	91.4
506.26038	5.7
580.95111	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	1183.6392
Annotation	Unknow
Peak:m/z	Relative Intensity
83.26588	0.5
96.96830	0.9
113.54447	0.5
120.38821	0.6
152.99493	18.9
160.66075	0.5
171.00560	1.8
227.03177	2.1
245.04234	2.0
277.21716	100.0
278.22070	4.2
469.81439	0.6
471.71643	0.5
505.25735	95.3
506.26062	5.1
548.93677	0.6
718.57050	0.6
1010.98828	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	3.6
59.01249	48.0
61.82926	3.1
70.42822	6.2
70.43173	8.1
71.01253	100.0
71.04880	11.4
72.00757	4.3
72.01586	3.1
72.99191	7.0
73.02814	81.1
75.00726	5.8
87.00754	32.7
89.02321	5.7
90.00851	9.5
98.19892	3.4
98.20442	3.6
99.00775	17.4
99.92442	3.1
103.12876	2.7
116.92717	6.7
116.98186	3.6
117.01868	20.5
117.05444	3.1
118.00394	2.9
118.02843	19.1
118.04001	6.4
123.37953	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	117.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	0.7
59.01255	2.1
71.01263	2.7
71.04330	0.9
71.04896	1.3
73.02820	100.0
74.03149	3.3
87.00760	1.1
95.58213	0.4
99.00756	8.0
99.92467	2.0
100.01044	0.5
100.92457	0.5
116.92749	3.9
117.01830	10.8
117.03364	0.5
117.05471	0.7
117.07429	0.8
117.92759	0.7
118.02898	0.5
118.03967	0.7
125.80670	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1173.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
86.42071	0.1
93.03353	0.7
108.02071	0.1
109.02834	0.6
119.01255	0.3
121.02812	0.7
135.00781	0.6
136.01585	0.1
137.02324	1.1
139.03909	0.4
143.04849	0.1
147.00809	0.2
147.04434	0.3
148.01555	0.8
149.02325	1.8
151.00201	0.3
159.04434	0.3
161.02347	0.4
162.29668	0.1
163.00278	6.2
164.00742	0.3
165.01871	0.2
169.06584	0.2
171.04451	0.8
173.06059	0.2
175.00287	1.3
176.01079	2.7
177.01808	0.5
183.04387	0.4
185.06001	0.4
187.03915	0.7
189.01877	0.2
189.05505	0.3
190.99780	0.4
193.01257	0.2
195.04391	0.7
196.05243	0.6
197.05994	0.5
198.03156	0.4
199.03932	0.6
200.04634	0.3
201.05515	0.2
203.03471	0.1
204.00616	0.5
205.01424	0.2
211.03958	2.4
212.04568	0.4
213.05496	2.2
214.02640	0.4
215.03456	2.8
216.03954	0.1
217.04990	0.5
223.03987	0.5
224.04739	0.2
225.05522	0.2
226.02609	0.4
227.03455	1.1
228.04216	0.8
229.05006	0.8
239.03445	2.0
240.04231	1.2
241.01398	0.3
241.02431	0.2
241.05009	3.1
242.02129	0.9
242.05492	0.2
243.02928	1.7
251.03407	0.2
254.02222	0.3
255.02997	2.2
256.03745	3.7
257.04507	4.8
267.02960	5.3
268.03653	0.9
269.04581	0.9
270.01660	2.5
271.02444	1.8
283.02472	15.3
284.03195	3.5
285.04037	7.0
286.04465	0.3
295.02533	1.4
296.03180	0.3
311.01968	4.6
312.02744	21.6
313.03519	32.7
314.03912	1.6
325.03613	0.1
332.06979	0.3
333.68192	0.1
349.07120	1.9
350.07471	0.1
355.04553	0.5
359.05539	0.3
361.07199	0.2
368.61975	0.1
377.06683	2.0
378.07074	0.4
406.06906	22.7
407.07446	3.0
408.08209	0.1
514.16089	0.2
550.13715	0.1
609.14508	0.2
615.73987	0.2
621.14563	9.9
622.14917	0.7
715.18774	100.0
716.19092	8.6
716.32196	0.2
717.19067	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.82999	0.8
69.95123	0.8
71.01273	1.5
71.33817	1.6
73.02823	100.0
74.03162	2.8
76.13468	0.7
99.00748	8.1
99.92484	2.2
116.92723	5.8
117.01826	12.6
117.07383	1.4
118.02161	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	117.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49494	0.3
55.01742	0.7
55.62029	0.2
58.71951	0.3
59.01259	0.3
68.59575	0.3
69.37769	0.3
69.86066	1.1
69.86481	0.6
71.01263	0.7
73.02821	100.0
74.03156	2.9
75.02752	0.2
77.04510	0.3
79.39458	0.2
98.19729	0.3
99.00758	7.6
99.92461	0.5
100.01057	0.3
116.92756	1.1
117.01831	9.8
117.07410	0.3
118.02148	0.6
123.76953	0.3
130.81679	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22275	0.4
50.69291	0.4
55.01752	0.6
70.90434	0.9
70.90781	0.7
71.01278	0.6
71.04921	0.4
73.02824	100.0
74.03156	3.1
82.99825	0.5
99.00769	9.1
99.92477	0.8
108.17231	0.4
109.65539	0.4
112.37168	0.4
116.92759	1.8
117.01006	0.6
117.01836	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	1169.6619
Annotation	Unknow
Peak:m/z	Relative Intensity
93.97638	65.5
99.04903	65.8
108.06899	62.2
155.72081	68.5
209.11978	72.8
285.80444	65.3
343.03989	95.3
623.79999	81.2
686.00134	69.2
758.37024	80.5
1169.64026	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	1169.6627
Annotation	Unknow
Peak:m/z	Relative Intensity
87.61560	35.9
155.89799	40.0
181.63597	41.5
339.19714	44.4
353.66806	43.5
438.63751	45.7
514.49591	42.4
990.54590	47.2
1169.63440	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	116.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11379	0.1
51.44381	0.1
55.01746	0.6
58.85025	0.1
59.01252	0.3
70.71894	0.4
71.01252	0.4
71.04915	0.2
73.02816	100.0
80.14030	0.1
89.01315	0.5
90.00826	0.1
99.00755	8.3
99.92453	0.9
116.02443	0.5
116.07056	15.0
116.34044	0.1
116.92747	2.4
117.01823	12.4
117.07397	0.7
117.92752	0.1
120.56583	0.1
129.01482	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	116.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01153	0.7
59.01241	2.1
71.01247	1.6
71.04558	1.5
71.04922	1.8
73.02818	95.3
75.59269	0.7
99.00760	8.3
99.92458	16.7
116.02464	4.0
116.07057	100.0
116.92741	41.0
117.01836	12.4
117.05460	1.0
117.07372	4.5
123.28605	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1161.6558
Annotation	Unknow
Peak:m/z	Relative Intensity
96.96844	0.8
103.83811	0.1
150.97923	0.2
152.99493	15.5
158.20160	0.1
171.00557	1.1
179.03822	0.1
222.85394	0.1
227.03223	2.3
234.48016	0.1
245.04295	1.4
250.84724	0.1
254.27344	0.1
261.22256	0.4
279.23282	100.0
280.23633	5.6
280.26785	0.2
294.44522	0.1
323.79498	0.1
339.78735	0.1
507.27261	78.7
508.27576	5.3
739.01654	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	1163.6931
Annotation	Unknow
Peak:m/z	Relative Intensity
81.21002	0.0
96.37473	0.0
98.19786	0.1
114.07149	0.1
119.04916	0.1
133.06468	0.3
155.98888	0.1
157.28488	0.1
170.00330	0.1
183.01128	4.4
184.01857	0.4
196.01990	0.1
197.02704	27.3
198.03415	2.3
199.02301	0.1
211.04248	1.3
212.05070	0.2
216.00917	0.5
225.05852	0.2
230.02487	3.7
231.02686	0.1
239.07452	0.3
244.04135	0.5
253.09126	0.3
258.05591	0.1
261.22171	0.1
267.07782	0.1
267.10468	0.3
268.10773	0.1
272.07346	0.1
281.12158	0.2
295.13742	0.2
311.16910	0.9
322.77176	0.1
323.16855	0.1
324.16727	0.1
325.18408	100.0
326.18723	5.7
326.22742	0.1
327.18503	0.3
445.23566	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	1153.6519
Annotation	Unknow
Peak:m/z	Relative Intensity
92.32652	23.6
93.90466	22.4
98.19846	25.4
102.23777	26.4
104.20229	26.2
106.88383	28.0
186.62004	22.5
259.20889	29.9
311.16782	57.4
312.17145	40.8
325.18341	100.0
339.20010	51.1
481.25851	55.9
536.71765	23.3
731.29388	29.4
939.68005	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1154.6606
Annotation	Unknow
Peak:m/z	Relative Intensity
85.93949	0.2
96.96843	7.4
114.17249	0.2
122.98454	0.2
140.01094	0.6
150.97954	0.3
152.99498	21.5
153.61874	0.2
163.57918	0.2
171.00563	22.3
189.22168	0.2
214.04749	0.6
277.21686	1.4
278.21973	0.7
279.23160	0.6
289.50012	0.2
290.99646	0.2
365.47311	0.2
374.94153	0.2
402.24164	3.1
473.22754	0.2
474.25900	0.2
475.25598	0.4
476.27838	100.0
477.28101	5.3
582.11157	0.2
633.10864	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1153.6521
Annotation	Unknow
Peak:m/z	Relative Intensity
80.96377	15.0
88.94160	9.0
91.82255	9.4
98.19821	10.1
108.04010	8.7
152.99500	10.9
166.77280	9.5
183.01134	23.0
187.88341	9.6
197.02754	17.5
245.04272	12.8
311.16870	14.8
325.18393	100.0
326.18970	23.6
327.18057	12.2
352.53625	10.4
435.57947	10.8
481.25797	28.6
504.51215	11.2
538.83917	12.2
819.19092	12.6
826.46167	23.6
827.46710	36.9
965.49292	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1150.6306
Annotation	Unknow
Peak:m/z	Relative Intensity
88.99338	0.2
96.96840	8.0
98.19879	0.2
103.56850	0.2
140.01045	0.5
150.97923	0.4
152.99495	23.1
153.99892	0.2
171.00557	23.3
190.84885	0.2
214.04817	0.5
247.28377	0.2
277.21744	0.4
298.74002	0.2
378.02298	0.2
382.21646	0.3
400.22546	3.2
401.22693	0.2
474.26245	100.0
475.19815	0.2
475.26605	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	1150.6294
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04876	0.2
86.45649	0.1
89.64413	0.1
96.96851	0.4
97.41074	0.2
122.00020	0.2
140.01093	2.4
152.99489	2.2
164.03227	0.2
171.00575	1.5
196.03777	1.1
207.88200	0.2
214.04828	3.3
233.22762	0.4
259.20737	0.5
275.20160	0.3
277.21719	100.0
278.22083	4.6
442.73468	0.2
474.26260	62.6
475.26556	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	115.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29946	1.1
57.00804	2.1
58.02850	6.7
59.01242	5.3
64.01789	3.5
65.01318	27.5
67.85509	1.1
69.34904	11.8
71.01263	4.4
71.04902	10.1
72.00779	1.3
72.04417	4.1
73.03941	100.0
74.02341	34.9
74.02739	2.5
87.00766	1.4
88.01799	1.6
89.01326	66.9
90.89970	1.3
97.02847	2.5
97.06444	1.6
97.93015	5.2
99.92455	1.8
112.20000	1.2
114.93295	13.5
115.02909	22.8
115.03872	4.1
115.05004	4.0
115.07534	77.0
115.91980	1.4
116.02431	73.4
116.03227	3.0
116.07053	11.1
116.07869	4.8
116.95856	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	115.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02832	2.3
59.01245	3.9
64.01784	4.4
65.01321	16.9
70.71981	2.0
71.04885	6.6
71.44188	4.1
71.44530	2.2
72.04444	3.4
73.03941	69.6
74.02349	29.6
83.27515	2.0
87.64886	1.9
89.01334	50.1
97.93016	4.0
114.93298	9.0
115.02908	17.9
115.03703	3.0
115.05012	2.2
115.07536	100.0
116.02435	52.3
116.03281	4.3
116.07054	9.5
116.07885	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	1150.6295
Annotation	Unknow
Peak:m/z	Relative Intensity
80.97368	0.1
83.04890	0.2
96.96810	0.2
104.97317	0.2
122.00045	1.2
122.98409	0.2
127.07516	0.2
134.98442	0.3
136.40909	0.1
138.02599	0.1
140.01088	6.8
152.99493	2.2
166.02652	0.2
196.03748	11.0
205.19551	0.3
210.42053	0.1
214.04831	3.1
233.15178	0.2
233.22696	0.8
250.04359	0.1
259.20651	0.6
275.20105	0.7
277.21729	100.0
278.22083	3.6
296.06717	0.1
307.28992	0.1
333.15976	0.1
474.26263	92.5
475.26611	4.2
745.38281	0.1
961.14417	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	115.0026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.8
70.70714	1.6
70.91467	0.5
71.01255	100.0
72.01594	2.8
72.99189	0.9
74.02347	1.0
87.00757	2.8
90.89267	0.5
115.00257	8.5
115.45907	0.5
116.97250	0.5
119.44905	0.5
124.92033	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	52.1
65.01320	5.2
65.45273	3.5
69.33180	12.7
69.33600	24.0
71.01254	82.3
71.04859	8.9
72.99176	16.7
73.03938	32.1
74.02336	6.1
76.45770	3.6
80.02012	4.0
83.35596	3.6
87.00741	100.0
89.01325	8.7
96.99182	24.2
98.20567	7.7
110.74928	3.4
112.13566	3.4
113.07629	4.0
115.00251	37.8
115.03902	4.9
115.05827	7.9
116.02413	14.5
117.38751	3.3
119.86702	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	115.0026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78458	2.8
56.68559	2.7
59.01255	7.2
62.33456	2.7
65.22186	3.2
69.69732	22.6
71.01258	100.0
71.04913	3.6
72.01593	4.5
74.02348	3.7
94.17840	3.1
101.59651	3.5
115.00269	18.0
116.07060	51.6
117.09743	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	115.039
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09149	2.2
58.02846	2.6
59.01245	11.0
65.01310	6.4
67.48129	2.2
69.80494	13.6
71.01256	7.0
71.04896	21.3
72.00780	2.9
72.04424	3.2
73.03941	100.0
74.02347	23.8
74.04288	2.8
87.00740	2.7
87.93211	2.3
89.01315	12.5
96.99239	2.2
98.15845	2.3
98.19807	2.6
98.88564	2.2
114.93282	3.4
115.00274	2.7
115.03898	24.4
115.05017	4.9
116.02423	22.5
116.07053	97.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.039
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23954	2.1
58.02846	3.1
59.01250	11.3
65.01316	5.7
69.80250	13.4
71.01256	7.1
71.04897	18.4
72.04391	2.8
73.03940	100.0
73.46411	1.9
74.02344	20.1
74.04272	2.3
87.04433	2.0
89.01318	10.1
97.02822	3.1
98.20440	2.8
101.31881	2.2
115.01410	2.0
115.03909	16.3
115.05007	6.0
116.02454	19.9
116.07057	85.5
116.07880	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	1147.6969
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95563	0.6
96.95916	0.1
107.83784	0.1
117.83596	0.1
119.04900	1.1
170.00348	0.9
183.01123	30.8
183.53850	0.1
184.01753	1.1
187.77632	0.1
197.02708	1.0
198.03391	0.2
201.99400	0.2
211.04115	0.1
216.00929	0.9
225.05832	0.4
230.02519	0.2
239.07402	0.7
253.09155	0.2
261.22101	0.3
267.10626	0.1
281.11996	0.1
325.18399	100.0
326.18735	5.1
327.18011	0.1
339.20013	0.1
408.65289	0.1
439.83246	0.1
442.69574	0.1
459.87442	0.1
466.10565	0.1
610.33252	0.1
861.82861	0.1
903.64081	0.1
910.61389	0.1
946.42474	0.1
1103.50549	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1145.7172
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95568	0.8
82.09879	0.1
96.95914	0.1
98.20651	0.2
119.04918	1.0
151.05458	0.1
160.95656	0.1
170.00349	1.1
183.01126	33.1
184.01596	0.9
186.45834	0.1
197.02707	1.5
198.03366	0.1
201.99301	0.2
211.04187	0.1
216.00853	0.5
225.05826	0.6
230.02553	0.3
239.07448	0.8
253.08997	0.3
255.23329	0.1
258.05713	0.1
268.57364	0.1
275.23828	0.2
339.19955	100.0
340.20276	5.1
928.36133	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1147.6268
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03337	0.6
83.01255	3.6
83.04874	0.2
85.02824	6.3
85.99976	0.7
87.00755	8.1
87.04401	0.3
89.02319	15.3
90.02650	0.2
91.03873	0.5
95.01257	2.2
97.02837	2.5
99.00759	1.3
101.02325	21.2
102.02670	0.3
103.03866	0.2
109.02833	0.3
111.00760	0.7
111.04412	0.5
111.08047	0.6
112.01505	0.2
113.02335	12.5
115.03932	0.3
119.03393	3.8
121.02827	0.3
124.01556	0.2
125.02338	8.1
129.01825	0.4
131.03397	3.5
133.04970	0.8
139.00174	0.2
139.03903	0.2
141.01863	0.5
143.03413	3.1
145.04985	0.6
149.02296	0.2
149.04448	0.5
155.10709	0.2
157.04927	0.2
160.91335	0.2
161.04469	7.9
161.05829	0.4
162.04861	0.3
167.03407	0.3
169.05063	0.2
169.12303	0.3
179.05534	6.1
181.04942	0.3
197.11766	3.0
198.12164	0.2
203.05537	1.1
211.13341	0.4
217.07211	0.3
221.06612	3.4
233.06721	0.2
235.08205	3.9
245.06718	0.5
253.09265	5.3
263.07776	1.2
277.21722	13.4
278.22058	0.7
287.07669	0.6
291.19772	0.2
305.08716	1.3
309.20697	3.3
310.21149	0.2
323.09891	2.1
341.10907	0.4
365.11017	0.4
379.12692	0.9
383.11786	1.2
389.64008	0.2
397.13507	21.9
398.13681	1.1
415.14569	10.9
416.14697	0.6
439.14621	0.7
445.00095	0.2
449.12564	0.3
467.13858	0.3
485.15036	1.5
523.17603	0.2
541.17633	0.6
559.18787	100.0
560.19159	6.9
561.19360	1.0
577.19873	31.1
578.20270	1.9
675.36090	2.4
676.36096	0.4
837.41254	20.6
838.41406	2.6
839.41528	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1147.6277
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03309	0.8
81.80070	0.5
83.01276	2.8
85.02826	5.8
87.00756	6.3
89.02322	14.0
95.01257	2.4
97.02810	2.8
97.06470	0.7
99.00790	1.2
101.02320	18.7
111.00739	0.7
113.01525	0.7
113.02328	11.6
113.09585	0.9
114.29811	0.5
119.03375	3.8
125.02321	6.7
127.88190	0.5
130.20348	0.5
131.03384	2.6
133.04929	0.6
139.03923	0.7
143.03394	3.7
149.04388	0.7
161.04456	8.0
165.12769	1.2
179.05545	6.1
181.12228	1.5
185.91469	0.5
195.13815	0.7
203.05550	0.7
211.13341	0.8
221.06578	3.0
221.15431	0.5
229.14310	0.6
230.35663	0.6
232.06531	0.5
235.08246	3.1
240.13672	0.8
247.20639	1.9
253.09264	5.1
263.07724	1.0
273.18726	0.9
277.21704	12.3
278.21967	1.0
281.21292	0.9
291.19662	11.3
291.22702	1.0
305.08765	1.1
309.20697	42.0
310.20993	1.2
323.09879	3.1
373.82547	0.6
374.18463	0.5
379.12881	0.6
383.12088	1.1
397.13498	21.3
398.13876	1.0
415.14572	11.2
439.14386	0.6
485.15131	1.2
541.17645	0.7
559.18793	100.0
560.19080	7.4
577.19891	31.5
577.27234	0.6
578.20190	1.4
579.25299	0.5
675.36145	2.4
837.41168	21.5
838.41705	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	1145.6987
Annotation	Unknow
Peak:m/z	Relative Intensity
80.02536	1.0
81.03331	1.5
83.01243	1.5
83.04907	1.9
85.02818	8.1
87.00741	2.3
89.02321	4.5
95.01269	1.5
95.04903	1.9
96.95894	1.6
97.02817	3.6
97.06476	5.0
99.00767	0.7
99.04420	0.6
101.02314	6.8
106.04124	0.6
107.04910	0.9
109.06477	3.0
111.00723	0.7
111.08037	1.3
111.55490	0.5
113.02312	4.3
119.03369	1.4
119.08554	0.6
121.06480	1.2
123.04391	2.2
123.08044	1.9
125.02345	1.3
125.05968	1.2
125.09601	4.2
127.11193	1.6
131.03442	0.8
133.04930	0.6
135.08047	1.1
137.09631	5.5
143.03418	0.7
145.04939	1.1
149.06044	0.6
149.09538	0.7
151.11176	1.3
155.10663	1.5
161.04472	4.3
161.09607	0.8
163.11188	5.6
165.12755	11.8
169.12231	0.9
171.10172	30.2
172.10507	0.7
175.11147	1.2
177.12790	1.0
179.05472	1.3
181.12251	1.8
183.13771	3.0
185.11780	7.1
191.14294	5.8
193.12280	1.4
197.11725	8.2
199.13379	1.1
201.11255	2.6
207.10205	3.5
209.11787	18.4
209.13773	1.2
210.12155	0.6
211.13326	16.0
212.13658	0.8
217.15857	0.8
221.11761	2.5
223.13377	1.6
225.11290	2.6
227.12851	2.6
228.12955	0.6
229.14365	8.8
235.08195	15.8
235.13417	1.1
237.11388	3.1
237.14949	1.3
239.12932	1.4
245.19055	12.5
246.19618	0.7
247.20619	5.3
253.09256	40.2
263.20096	5.1
265.14877	0.7
265.18115	0.7
271.16983	2.1
273.18579	2.5
275.20068	0.7
289.18079	57.8
290.18317	3.9
291.19653	32.2
292.19983	2.2
293.21228	7.2
294.22354	0.6
297.15094	2.7
298.15701	0.7
305.17474	1.2
307.19147	65.8
308.19547	3.5
309.20703	27.5
309.23660	0.6
310.21069	2.1
325.20187	16.1
326.20648	0.9
327.21750	100.0
328.22095	4.8
341.19644	2.1
373.19989	1.1
397.12985	0.8
445.20959	2.1
525.26971	4.3
527.27960	0.7
543.28107	6.0
545.29736	4.9
561.29254	2.5
563.30737	9.0
617.40515	4.4
755.41998	3.4
835.48486	2.0
853.49573	9.3
854.50098	1.7
1141.74243	0.8
1146.56433	0.8
1170.21924	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1145.613
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03338	2.4
83.01266	2.3
83.04900	4.1
85.02813	7.5
87.00753	7.3
89.02315	15.4
89.27596	1.2
95.01268	1.7
95.04917	3.5
96.95344	1.3
96.95860	6.3
97.02827	16.1
97.06437	2.8
99.00802	1.8
101.02333	15.8
109.06483	14.5
111.00745	1.5
111.08055	5.8
113.02314	10.0
119.03400	4.3
125.02353	7.0
125.09620	4.7
126.06155	1.4
127.11215	1.5
131.03447	1.8
135.08052	2.1
137.09630	5.0
142.02631	2.0
143.03380	3.4
143.28940	1.5
158.05925	1.4
159.10129	1.6
161.04460	5.1
161.09642	1.5
163.11198	13.3
165.09193	1.9
165.12772	4.6
169.12332	1.5
171.10158	24.9
179.05559	7.8
179.14346	1.4
181.12308	6.6
183.13783	7.1
185.11830	2.8
193.12212	3.0
195.13864	4.0
197.02728	2.6
197.11774	15.3
199.09650	2.6
199.13300	3.8
201.11331	8.1
207.10213	51.1
208.10574	2.2
209.11777	18.8
211.13333	62.4
212.13693	2.5
215.12924	1.3
221.06642	3.1
221.15460	2.5
223.13339	3.2
225.11281	40.6
226.11707	1.5
227.12787	11.3
235.08197	5.3
240.57561	1.4
243.12288	4.8
247.20711	3.2
251.13268	1.6
253.09184	2.1
263.20206	1.7
273.18539	3.1
283.13727	11.7
291.19681	32.0
292.19955	2.0
293.21207	2.3
294.21350	1.6
305.08923	1.9
309.20709	100.0
310.21091	4.6
323.10046	1.6
337.54156	1.6
339.23367	1.4
373.23688	3.3
379.12024	2.5
383.22394	3.0
391.25000	4.2
397.13483	36.3
397.57254	1.5
398.13910	2.0
401.23355	11.1
415.14566	14.0
419.24524	8.4
605.24506	7.6
609.27557	1.5
623.25238	15.3
771.38672	6.6
781.36090	4.5
799.37604	32.1
800.37891	4.2
817.38586	59.6
817.53973	3.0
818.39246	19.8
835.39410	10.2
1145.59692	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	1145.613
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03338	2.4
83.01266	2.3
83.04900	4.1
85.02813	7.5
87.00753	7.3
89.02315	15.4
89.27596	1.2
95.01268	1.7
95.04917	3.5
96.95344	1.3
96.95860	6.3
97.02827	16.1
97.06437	2.8
99.00802	1.8
101.02333	15.8
109.06483	14.5
111.00745	1.5
111.08055	5.8
113.02314	10.0
119.03400	4.3
125.02353	7.0
125.09620	4.7
126.06155	1.4
127.11215	1.5
131.03447	1.8
135.08052	2.1
137.09630	5.0
142.02631	2.0
143.03380	3.4
143.28940	1.5
158.05925	1.4
159.10129	1.6
161.04460	5.1
161.09642	1.5
163.11198	13.3
165.09193	1.9
165.12772	4.6
169.12332	1.5
171.10158	24.9
179.05559	7.8
179.14346	1.4
181.12308	6.6
183.13783	7.1
185.11830	2.8
193.12212	3.0
195.13864	4.0
197.02728	2.6
197.11774	15.3
199.09650	2.6
199.13300	3.8
201.11331	8.1
207.10213	51.1
208.10574	2.2
209.11777	18.8
211.13333	62.4
212.13693	2.5
215.12924	1.3
221.06642	3.1
221.15460	2.5
223.13339	3.2
225.11281	40.6
226.11707	1.5
227.12787	11.3
235.08197	5.3
240.57561	1.4
243.12288	4.8
247.20711	3.2
251.13268	1.6
253.09184	2.1
263.20206	1.7
273.18539	3.1
283.13727	11.7
291.19681	32.0
292.19955	2.0
293.21207	2.3
294.21350	1.6
305.08923	1.9
309.20709	100.0
310.21091	4.6
323.10046	1.6
337.54156	1.6
339.23367	1.4
373.23688	3.3
379.12024	2.5
383.22394	3.0
391.25000	4.2
397.13483	36.3
397.57254	1.5
398.13910	2.0
401.23355	11.1
415.14566	14.0
419.24524	8.4
605.24506	7.6
609.27557	1.5
623.25238	15.3
771.38672	6.6
781.36090	4.5
799.37604	32.1
800.37891	4.2
817.38586	59.6
817.53973	3.0
818.39246	19.8
835.39410	10.2
1145.59692	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	1143.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01254	0.4
83.06473	0.2
85.02818	0.7
98.20373	0.7
107.01270	1.5
108.02055	0.7
109.02843	0.7
111.26878	0.3
121.02831	0.9
135.00783	0.4
148.01575	1.1
151.00284	5.9
153.01823	0.4
163.00278	1.8
164.01083	0.7
167.20317	0.2
169.01317	0.8
173.05923	0.2
178.99792	3.5
183.04414	0.4
187.03932	0.5
188.04768	0.3
191.01817	0.3
192.00513	0.3
193.01137	0.3
199.03973	1.0
201.01775	0.3
203.03488	0.3
211.03900	0.6
215.03413	0.6
216.04103	0.5
226.02751	1.5
227.03438	3.7
228.03934	0.4
229.01419	0.3
229.04982	0.9
239.03593	0.3
243.02956	9.4
244.03494	0.7
245.04500	0.8
254.02188	2.2
255.02969	27.5
256.03357	1.7
270.01770	0.3
271.02472	55.3
272.02945	4.3
273.03894	0.6
283.02496	0.9
283.88577	0.2
284.03244	1.7
285.04068	2.1
297.03888	0.3
299.02026	2.6
300.02737	100.0
301.03424	20.8
302.03769	1.0
303.03909	0.2
341.02878	0.5
445.07764	4.3
463.08591	0.5
503.08508	0.6
504.08585	0.6
505.09875	98.6
506.10156	6.3
514.14532	0.2
593.15088	2.9
807.46155	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1143.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02820	1.5
90.93835	0.2
91.01754	0.5
93.03295	0.4
95.01259	0.4
96.95876	0.2
97.02804	0.8
107.01276	0.3
108.02003	0.3
109.02834	1.7
109.99981	1.0
111.00769	0.6
119.01334	0.3
121.02842	2.8
123.00805	0.3
124.01550	0.4
125.02381	0.3
133.02832	0.4
134.00006	0.3
135.00761	0.3
136.01549	0.9
136.98689	0.5
137.02322	1.0
137.99466	0.5
139.00307	1.2
139.03906	1.3
147.00798	0.8
147.04388	0.3
148.01653	0.3
149.02342	3.1
149.99472	0.9
151.00276	1.0
153.01852	1.4
159.04379	0.6
161.02351	0.5
163.00230	0.9
163.03905	0.4
164.01025	1.0
164.98184	3.5
165.01842	10.0
165.99004	2.5
166.02211	0.4
171.04425	0.9
173.02399	0.3
174.03075	0.3
175.00311	2.7
175.03961	0.4
177.01822	0.4
177.99013	1.0
178.99765	1.4
180.00598	1.2
181.01337	1.0
183.02956	0.5
185.02341	0.4
187.03886	1.5
189.01857	1.2
190.99925	0.3
191.01880	1.1
191.03455	0.5
192.00476	0.4
193.01340	2.7
197.02448	0.3
198.03148	0.6
199.02335	0.6
199.03955	2.3
201.01837	0.8
202.02679	0.5
203.03477	1.3
209.00911	0.3
213.01823	0.5
214.02635	1.0
215.03448	3.7
216.04091	0.6
217.01404	0.5
219.02986	0.4
225.01926	0.5
226.02625	2.1
227.03448	2.1
228.04115	0.6
229.01411	0.6
230.02153	0.7
231.02989	2.3
241.01382	0.9
241.04974	0.6
242.02158	2.2
243.02959	6.1
244.03505	0.7
245.00885	0.7
245.04622	0.4
254.02190	2.4
255.02916	1.8
256.03659	0.3
257.04565	0.5
258.01605	0.6
259.02441	3.2
259.05045	0.3
259.06274	0.3
269.00827	0.3
269.04510	2.1
270.01697	4.7
270.04587	0.4
271.02466	41.8
272.02847	2.9
273.03305	0.4
282.01511	0.3
285.04031	10.6
286.01208	0.7
286.04559	1.2
287.01981	21.7
287.05286	1.0
288.02353	1.4
297.00406	0.5
297.03879	0.4
298.01135	1.2
299.01956	54.2
300.02493	7.1
301.03436	1.1
302.03882	0.4
312.02740	0.7
312.99808	0.3
313.03519	15.0
314.04309	55.1
315.01450	44.0
315.05045	23.3
316.02127	8.7
316.05405	1.6
317.02325	0.4
329.02991	1.1
330.03790	43.6
331.04532	20.3
331.08670	0.5
332.04916	1.1
371.04071	0.3
373.05750	0.3
477.10406	1.7
493.09760	2.7
517.09735	0.4
519.11426	80.3
520.11774	8.0
521.12079	1.6
533.09180	0.7
534.10425	1.2
535.10913	100.0
536.11212	7.4
537.11572	0.4
1071.91956	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.6393
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95773	30.7
96.96840	2.0
101.83833	0.2
110.14679	0.2
133.02834	0.3
150.97910	0.7
152.99487	42.7
153.99947	0.3
171.00551	9.7
183.01166	0.4
197.02762	0.3
227.03206	2.3
245.04280	47.1
246.04642	0.8
253.21701	21.2
254.22038	0.9
311.16812	0.6
325.18320	1.5
326.18726	0.3
328.20114	0.3
339.19858	0.4
386.78247	0.3
481.25705	100.0
482.26038	6.8
702.66010	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01783	1.7
55.01750	7.5
57.03324	33.7
58.02845	13.7
59.01233	2.5
60.51999	1.6
67.01762	2.7
67.09815	1.6
68.01268	4.0
68.99435	20.8
69.03323	7.3
71.01235	7.1
71.02377	36.4
72.00782	30.6
72.99182	5.7
83.01267	5.9
83.02360	2.2
84.02050	12.7
85.02825	100.0
85.20190	1.8
86.02354	14.7
86.03152	4.0
90.11451	1.6
95.01279	2.5
95.95106	5.4
96.00776	17.3
97.45303	1.7
98.19915	7.1
111.59303	1.6
113.02335	41.5
113.03449	12.9
113.05968	80.1
114.00873	8.4
114.01854	22.0
114.05492	12.2
114.06244	3.4
114.73211	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	1133.7347
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01208	0.4
83.04889	0.4
84.02039	0.3
85.02821	3.8
87.00726	1.2
89.02312	1.8
95.01240	0.3
95.04893	0.3
96.95829	0.5
97.02809	0.9
97.06451	1.2
99.00751	0.4
101.02316	4.8
113.02320	2.2
114.30386	0.3
116.92719	1.2
119.03370	0.9
125.09572	0.8
127.11153	0.5
133.04883	0.7
135.08107	0.3
137.09589	1.0
143.03368	0.5
145.04918	1.0
150.90331	0.3
155.10645	0.4
161.04437	2.5
165.12682	0.3
167.10576	0.4
169.12396	0.2
171.10175	13.1
171.11638	0.7
172.10487	0.4
177.12733	0.3
179.05446	0.5
179.14301	0.3
181.12271	0.6
183.01120	2.6
183.13765	1.3
195.13837	6.2
196.14085	0.3
201.11188	0.7
205.12248	0.7
205.15894	0.6
209.11758	0.5
211.13335	5.7
221.11784	0.8
223.13341	4.5
224.13957	0.3
228.13562	0.9
229.14384	4.0
231.21115	0.7
235.08188	11.3
235.16977	7.3
239.12766	0.8
253.09247	33.5
254.09610	1.1
256.13077	1.1
265.21613	0.5
275.20135	12.7
276.20465	0.5
291.19702	1.9
293.21204	100.0
294.21521	5.6
297.15286	6.0
309.20697	4.3
310.20871	0.4
311.16785	1.2
327.21744	50.0
328.22052	2.6
492.21982	1.0
529.30115	7.9
530.30341	0.6
545.29578	4.1
546.30585	0.3
563.30713	6.4
564.31128	0.6
577.26544	0.6
603.42676	5.2
603.51855	0.4
604.42712	0.5
802.43225	0.4
839.51685	3.7
1089.50085	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55878	1.2
55.01755	10.5
57.03321	34.5
57.88242	1.4
58.02838	2.0
58.03642	1.9
67.01756	2.6
67.33387	1.1
68.99419	1.8
69.03326	3.6
70.02821	1.4
70.08503	4.5
70.40940	1.1
71.01258	5.0
72.00774	3.9
72.99168	1.8
83.01236	5.7
84.02032	20.1
85.02818	100.0
86.02354	3.0
86.03153	4.8
95.01261	4.2
95.95083	1.7
98.20271	3.0
107.18163	1.3
112.93663	1.6
112.97029	3.0
112.98656	1.1
113.02320	23.4
113.03481	3.0
114.01839	5.6
114.02568	1.2
114.05489	42.1
119.47394	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	1125.6364
Annotation	Unknow
Peak:m/z	Relative Intensity
99.55092	72.0
113.94907	61.8
136.55342	77.4
195.63437	64.3
344.83066	63.2
353.21548	100.0
380.01999	69.0
751.39771	72.1
930.80457	85.6
1125.62390	96.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1125.6361
Annotation	Unknow
Peak:m/z	Relative Intensity
78.49853	42.7
82.59224	46.3
98.19827	100.0
147.63255	59.6
295.64307	56.2
464.22192	52.6
573.25348	55.2
683.46844	57.1
983.28650	63.7
991.99438	63.7
1125.61377	70.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1127.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
89.00197	0.1
91.01768	0.1
93.03313	0.2
97.02819	0.4
107.01302	0.2
108.02068	0.2
109.02828	1.5
121.02843	2.2
122.03145	0.1
130.66078	0.1
133.02844	0.2
135.00795	0.1
139.03914	0.1
143.04918	0.1
146.00601	0.1
147.00789	0.2
148.01608	0.1
149.02312	0.3
149.99516	0.2
151.00261	0.6
157.02910	0.2
161.19038	0.1
163.00246	0.3
163.03941	0.1
165.01843	6.7
166.02205	0.2
171.04404	0.3
175.03918	0.3
183.02864	0.2
183.04453	0.2
187.03909	0.2
190.02672	0.1
190.99789	0.1
191.03328	0.1
193.01341	1.2
198.03271	0.1
199.03931	1.6
201.01875	0.3
203.03416	0.2
211.04004	0.2
215.03424	0.9
225.01987	0.2
226.02612	1.0
227.03438	2.5
228.04185	0.4
229.01378	0.2
231.02881	0.1
239.03294	0.1
242.02284	0.4
243.02951	4.2
244.03479	0.2
254.02177	1.3
255.02934	1.9
256.03720	0.3
257.04565	0.3
259.05997	0.3
268.03726	0.1
269.04568	1.1
270.01773	0.8
271.02463	45.0
272.02859	2.8
273.03128	0.1
282.01730	0.3
285.04001	1.6
286.04752	0.3
287.05542	0.7
297.03946	0.4
298.01233	0.1
299.01947	60.8
300.02539	7.4
301.02914	0.2
313.03491	0.3
314.04303	54.8
315.05054	25.0
316.05411	1.1
333.25980	0.1
357.06076	0.3
477.10336	2.2
478.10870	0.1
519.11407	100.0
520.11755	8.3
521.12048	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1123.6183
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95779	6.1
89.51849	0.3
110.98408	3.5
152.99498	1.1
163.30376	0.2
167.01041	0.9
185.02136	3.9
191.69669	0.2
199.61807	0.2
204.41510	0.3
259.20602	0.6
266.12173	0.3
275.20230	0.6
277.21713	100.0
278.22058	5.2
281.82468	0.3
400.56198	0.3
445.23590	50.4
446.23865	3.2
453.65622	0.3
503.75937	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1125.6351
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95775	19.1
83.04900	0.3
86.36665	0.1
91.95232	0.1
94.98912	0.3
104.97360	0.7
110.98416	10.8
127.07550	0.2
136.99995	0.4
152.99475	0.9
156.58231	0.1
159.19670	0.1
167.01062	11.4
182.40639	0.1
185.02127	3.8
205.19579	0.2
226.74739	0.1
233.22702	0.5
259.20789	0.9
275.20096	0.5
277.21713	100.0
278.22043	5.6
373.99368	0.1
445.23584	84.6
446.23907	5.4
451.57443	0.1
502.26535	0.1
747.72137	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	1123.619
Annotation	Unknow
Peak:m/z	Relative Intensity
78.63261	0.1
78.95777	7.2
97.06382	0.1
104.97311	0.1
110.98416	4.2
127.07544	0.2
152.99492	0.9
167.01053	1.4
185.02127	4.4
205.19502	0.1
221.78288	0.1
232.05531	0.1
232.07721	0.2
233.22717	0.5
259.20660	0.6
275.20123	0.6
277.21716	100.0
278.22058	4.2
294.88464	0.1
314.53598	0.1
431.22046	0.2
445.23596	48.7
446.23911	2.2
450.72128	0.1
480.61270	0.1
595.29120	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1110.5906
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95778	51.4
80.26788	0.2
96.95882	0.4
96.96843	9.8
104.27651	0.2
114.09915	0.3
150.97913	2.3
152.99493	78.2
153.99786	0.5
171.00551	3.6
180.99016	0.4
195.00598	0.9
212.42358	0.3
223.00107	1.6
225.01743	0.4
241.01155	11.3
277.21729	26.1
278.22015	1.4
285.03909	0.3
315.04889	3.7
413.21005	1.2
431.21991	11.0
432.22372	0.5
474.26334	1.0
533.25385	2.1
557.26324	0.3
593.27307	100.0
594.27594	5.5
956.21906	0.3
1130.94324	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1113.635
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95776	71.3
84.73649	0.2
96.96841	7.5
150.97932	3.0
152.99492	100.0
153.99844	0.7
164.00041	0.2
171.00571	3.8
185.29243	0.2
279.23242	1.0
305.73703	0.2
356.65140	0.2
366.80670	0.2
372.59961	0.2
433.23593	35.3
434.23944	2.2
446.05862	0.2
878.87347	0.3
911.68359	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1115.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01260	0.4
95.01255	0.9
98.20494	0.5
101.84600	0.3
107.01261	2.2
108.02052	0.8
108.99183	0.4
109.02837	1.6
109.99981	4.7
110.45669	0.4
111.00783	2.5
121.02827	1.4
123.00758	1.3
124.01513	0.5
125.02334	0.7
125.99495	0.5
135.00781	0.6
136.01616	0.4
136.98711	1.2
137.02333	0.6
137.99496	1.9
139.00259	6.9
144.08809	0.3
148.01637	0.9
149.02348	0.8
151.00275	8.2
152.01016	1.2
152.39377	0.3
158.03535	0.4
159.04431	0.5
161.02327	0.6
163.00262	1.5
164.01035	1.0
164.98164	0.8
165.98978	7.7
166.99738	2.5
169.01286	0.9
171.04398	0.8
173.02324	0.3
174.03075	0.5
178.99773	7.3
187.03906	1.2
189.01819	0.6
190.99847	0.5
193.01189	0.4
193.98665	0.5
194.99243	1.0
198.03212	0.6
198.96408	0.4
199.03883	2.1
201.01866	1.6
201.05524	0.4
202.02556	0.5
203.03415	1.3
206.99280	1.0
207.99948	0.4
211.03960	1.0
214.02618	1.2
215.03415	1.4
216.04102	0.7
226.02686	1.4
227.03436	3.8
229.01369	0.7
229.05016	0.5
230.02043	0.5
231.02882	1.9
232.03687	0.6
242.02092	2.0
243.02951	9.2
244.03452	1.5
245.04524	1.1
254.02188	1.0
255.02950	15.6
256.03299	1.1
259.02469	2.3
260.02850	0.6
269.00830	0.6
270.01685	3.7
271.02460	53.7
272.02838	4.0
273.03958	0.7
283.02310	1.0
287.01971	13.8
288.02353	2.2
298.01086	1.0
299.01953	17.4
300.02719	49.0
300.51154	0.4
301.03448	18.2
302.03796	1.6
315.01395	3.6
316.02216	48.4
317.02942	20.2
318.03183	1.1
418.88937	0.4
463.08881	1.2
479.08221	2.3
503.08112	1.3
505.09863	63.5
506.10297	7.0
507.10327	1.3
519.07605	1.4
520.08386	2.7
521.09338	100.0
522.09674	8.9
565.08087	0.5
584.59247	0.4
1150.37183	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0077
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01763	50.4
68.01291	12.5
68.02072	1.5
71.06825	3.1
75.81426	1.3
81.36369	1.3
82.26112	1.3
83.01263	7.0
85.02843	2.7
92.99164	1.4
105.98405	1.5
111.00763	100.0
111.01923	4.7
111.04412	1.9
112.00394	1.6
112.01044	6.5
112.03963	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	111.0077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00211	4.6
53.00177	1.1
55.01749	3.3
55.90405	1.1
61.34944	1.0
65.99702	3.1
67.01758	32.7
67.02876	2.8
68.01283	47.6
68.99686	1.8
69.01629	1.0
70.02850	2.4
70.34120	2.3
70.34509	2.1
70.78622	1.2
71.01268	1.9
83.01266	10.8
83.02362	2.7
84.00795	2.0
84.01609	1.7
85.02823	3.1
95.02398	1.3
111.00759	100.0
111.01873	19.6
111.04391	5.4
111.05552	3.1
112.00304	2.7
112.01124	4.0
112.02261	1.6
112.03928	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	1110.5897
Annotation	Unknow
Peak:m/z	Relative Intensity
78.54138	0.2
78.95775	47.9
82.85171	0.2
87.00733	0.2
94.66981	0.2
96.96838	8.7
145.96823	0.2
150.97917	1.7
152.99487	61.0
153.99841	0.4
171.00571	1.7
182.29454	0.2
223.00011	1.1
233.22716	0.2
241.01154	16.4
259.02219	0.6
259.20422	0.2
270.50626	0.2
277.21713	31.1
278.22046	1.6
315.04883	4.9
413.21042	1.6
431.21991	10.0
432.21738	0.3
460.01782	0.2
474.26102	0.4
502.29333	0.4
593.27295	100.0
594.27655	5.0
594.37225	0.3
628.69293	0.2
691.07117	0.2
758.02881	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1109.6257
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95731	8.3
96.07920	4.8
97.52731	4.7
104.65780	4.7
129.64825	4.9
152.99501	6.3
160.55049	5.1
171.10141	8.0
183.01103	20.6
191.01863	8.1
197.02747	24.2
262.73279	5.3
293.21359	5.8
311.16898	10.3
325.18384	100.0
326.18710	12.2
339.19965	20.6
452.87811	5.3
495.45645	5.2
732.58472	5.5
852.82831	5.7
914.92627	6.6
1066.26343	6.2
1109.62512	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	111.0076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89539	2.2
67.01757	55.1
68.01276	7.5
68.02071	2.8
70.10313	12.8
76.60953	2.4
83.01265	4.9
85.02828	3.4
111.00761	100.0
111.01911	5.4
112.01102	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	1109.6035
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95776	100.0
96.96840	9.6
117.75258	0.1
134.18974	0.1
150.97925	3.4
152.99490	98.9
153.99812	0.7
171.00562	3.0
277.21692	0.5
358.67966	0.1
431.22003	31.2
432.22348	1.5
998.33679	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	1109.6035
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95779	66.6
90.66120	0.1
90.78422	0.1
94.04218	0.1
96.96841	5.4
114.10415	0.1
150.97931	1.9
152.99493	100.0
153.99802	0.7
171.00565	3.3
277.21759	1.3
431.22015	53.9
432.22382	3.3
525.72516	0.1
623.86243	0.1
1037.65515	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	1109.6259
Annotation	Unknow
Peak:m/z	Relative Intensity
78.09264	1.0
78.95766	3.2
79.95631	1.0
80.38630	1.1
84.37647	0.9
85.02822	1.4
92.34345	1.0
183.01118	13.2
184.01663	2.3
197.02707	19.4
198.03217	2.8
216.00966	1.7
221.37300	1.1
230.02547	2.1
293.21164	1.2
322.02530	1.1
325.18399	100.0
326.18698	23.2
327.18475	1.5
339.19803	1.6
519.42822	1.1
578.21381	1.5
592.13959	1.2
611.85632	1.3
636.06274	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1106.6608
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95781	14.1
79.12351	0.2
91.54967	0.2
97.80660	0.1
106.18028	0.1
122.00017	0.6
134.98434	0.2
136.14810	0.2
140.01079	4.5
150.06128	0.1
152.99484	1.7
166.02715	0.3
196.03735	7.7
202.66501	0.2
203.33931	0.1
214.04802	1.8
237.22240	0.2
255.23277	100.0
256.23615	4.3
273.25275	0.1
452.27841	71.6
453.28192	4.9
500.03622	0.2
653.34167	0.2
712.88184	0.2
870.38733	0.2
895.17731	0.2
948.28180	0.2
1015.69690	0.2
1039.79492	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1099.6191
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95781	12.8
83.01495	0.2
83.04919	0.3
83.35901	0.2
88.97036	0.2
94.98902	0.4
98.20619	0.6
104.97351	0.7
110.98422	7.4
112.68427	0.2
152.99495	1.0
167.01079	8.2
185.02127	3.8
229.77745	0.4
233.22710	0.9
259.20697	0.5
275.20071	0.5
277.21725	100.0
278.22113	4.7
445.23608	79.9
446.23920	4.2
495.37143	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1101.5528
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95776	42.2
96.96840	7.6
108.37193	0.2
150.97897	0.8
152.99490	59.8
153.99846	0.7
171.00578	1.9
223.00089	6.5
224.64397	0.3
241.01157	15.9
242.01436	0.3
259.02213	1.1
277.21683	1.5
278.22000	0.3
279.23294	41.7
280.23621	2.6
299.44232	0.3
315.04861	6.0
333.05869	0.5
389.66766	0.3
431.22067	1.0
432.22388	0.6
433.23505	1.0
490.83414	0.3
505.25635	0.8
594.27991	0.6
595.28882	100.0
596.29175	8.1
681.91187	0.3
856.37982	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.6788
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95776	15.4
80.96392	0.9
94.97979	0.2
102.86750	0.2
109.71094	0.2
113.57549	0.2
122.98431	0.4
140.01073	0.2
152.99507	2.5
168.04230	2.3
224.06900	7.2
225.00668	0.2
225.07237	0.3
242.07928	1.8
261.21942	0.3
272.50024	0.2
277.21725	0.7
279.23282	81.6
280.23630	4.5
430.22278	0.2
432.60065	0.2
445.23657	0.3
476.27820	3.1
504.30960	100.0
505.31287	7.5
519.27264	0.5
539.70227	0.2
578.34607	2.9
579.28259	2.5
579.35425	0.3
828.66681	0.2
889.65662	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1099.6193
Annotation	Unknow
Peak:m/z	Relative Intensity
78.71658	0.3
78.95777	6.9
90.39970	0.3
104.97386	0.3
108.55614	0.3
110.98421	4.4
127.07526	0.3
147.77077	0.3
152.99484	0.9
167.01056	2.0
185.02110	3.8
226.11623	0.3
233.22685	0.6
242.47458	0.3
259.20679	0.7
267.97903	0.3
275.20200	0.4
277.21729	100.0
278.22040	5.3
279.22705	0.4
280.23431	0.4
293.45596	0.3
305.60583	0.3
324.43738	0.3
325.33472	0.4
351.47147	0.3
444.67361	0.4
445.23602	52.9
446.24072	3.7
470.11008	0.3
509.74216	0.3
538.78790	0.4
541.64984	0.3
559.70953	0.3
581.26709	0.3
646.84290	0.4
1135.56934	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.6785
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95779	6.1
80.96400	0.3
94.97966	0.2
96.96846	0.2
114.64096	0.1
118.99949	0.1
132.30989	0.1
152.99487	1.6
168.04233	1.5
175.54631	0.1
205.65450	0.1
222.43433	0.1
223.33376	0.1
224.06863	1.0
225.00613	0.1
242.07938	2.5
261.22232	0.5
277.21768	0.5
279.23279	100.0
280.23615	5.5
445.23453	0.2
498.90457	0.1
504.30966	83.2
505.31293	6.3
505.38989	0.2
519.27246	0.7
578.34662	3.1
579.27887	0.8
579.36206	0.2
948.77600	0.1
1066.44971	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.6643
Annotation	Unknow
Peak:m/z	Relative Intensity
80.02550	0.6
81.03329	1.1
83.01244	0.4
83.04901	3.4
84.02048	0.6
85.02836	0.9
85.78299	0.2
87.00735	0.4
89.02306	1.3
95.01273	0.2
95.04903	0.8
96.95901	1.5
97.02824	4.5
97.06499	0.7
99.00764	0.4
101.02332	2.3
106.04150	0.2
109.06489	0.6
111.08044	2.9
113.02316	1.4
119.03394	0.6
119.08540	0.5
123.04404	0.4
123.08078	0.5
125.02358	0.3
125.05970	0.3
125.09632	1.3
125.73278	0.2
127.07549	0.4
127.11121	0.3
133.04958	0.3
135.08044	0.5
137.09630	1.1
139.11223	0.3
143.03418	0.5
145.04948	0.3
150.25647	0.2
151.07504	0.2
151.11162	0.5
153.12793	0.6
156.86134	0.2
161.04457	1.3
163.11201	4.1
165.12761	4.1
167.10728	0.4
169.12253	1.3
171.10173	4.9
179.05539	0.4
179.10715	0.3
179.14360	0.6
181.12285	1.4
182.13081	0.2
183.13844	0.9
185.11784	0.8
189.12811	0.3
191.09065	0.2
191.10686	1.0
191.14281	0.4
193.12234	0.6
193.15927	0.6
195.13924	0.6
197.11769	16.4
198.12074	0.7
199.13359	1.2
201.11298	0.3
207.10146	0.8
207.13826	0.4
209.11769	100.0
209.15260	2.4
210.12122	3.4
211.13322	4.5
217.15935	0.4
221.11870	0.5
221.15393	0.2
223.13290	0.5
223.16953	1.3
225.11206	0.4
225.15044	0.3
227.12842	14.9
228.13173	0.6
233.15390	0.7
235.08202	4.8
247.20636	2.8
251.16478	1.8
252.16846	0.3
253.09267	13.4
254.09663	0.4
259.15442	0.5
263.20163	1.0
265.18063	0.3
267.16226	0.2
273.18625	1.8
283.13721	0.6
289.18140	0.6
291.19659	29.7
292.20004	1.9
307.19250	0.4
309.20700	73.9
310.21082	4.3
327.21628	0.3
415.19601	0.3
433.20813	0.6
445.20776	5.1
446.20859	0.4
463.21838	0.5
472.70660	0.3
501.32120	1.4
519.33289	0.5
527.28864	1.7
545.29578	3.7
546.29889	0.4
737.41193	0.6
755.42706	0.5
1087.96570	0.3
1097.55615	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1095.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
82.10302	0.1
83.01260	0.3
83.43479	0.1
85.02831	0.5
93.03304	0.3
107.01263	1.3
112.08907	0.1
116.71398	0.1
132.02104	0.6
135.00783	0.6
135.49947	0.1
151.00255	2.2
152.01056	0.4
159.04491	0.2
163.00311	0.8
164.01064	0.3
166.06879	0.1
167.04964	0.2
167.40027	0.1
169.01378	0.7
169.06367	0.1
171.04404	0.2
178.99756	1.1
182.03635	0.2
183.04407	0.8
187.03893	0.6
191.01999	0.3
195.04431	0.1
199.03925	0.3
200.04742	0.2
211.03960	1.2
212.04424	0.2
213.05499	0.3
227.03445	27.0
228.03870	1.4
229.05013	1.0
239.03433	0.9
240.04132	0.2
241.04977	0.2
255.02957	55.4
256.03589	4.6
257.04486	1.0
267.02792	0.2
281.04633	0.2
283.02451	1.3
284.03250	75.4
285.03931	12.3
286.04367	0.3
299.21609	0.2
309.04062	0.5
326.04279	0.3
327.05191	0.6
339.05161	0.3
393.06335	0.3
575.13989	0.6
593.14899	0.2
594.15344	0.2
739.20886	100.0
740.21179	8.4
763.89069	0.2
766.96857	0.2
773.87164	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1095.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02801	0.3
88.14443	0.2
93.03342	0.6
93.30289	0.2
109.99962	1.1
113.55629	0.3
117.03369	0.5
134.00015	0.3
136.98647	0.4
151.00241	0.3
159.04428	0.3
165.01811	1.2
183.04480	1.4
187.03960	0.3
200.04683	0.2
205.30559	0.2
211.03981	2.4
227.03448	13.8
228.04144	1.7
240.04359	0.3
241.04968	0.3
243.06613	1.3
255.02960	51.5
256.03592	5.5
269.04535	0.6
270.05087	0.2
271.06113	0.9
283.02466	74.8
284.03207	21.7
284.06467	0.5
285.03625	0.7
298.04810	49.2
299.05579	65.4
300.05905	2.8
341.06659	0.5
346.88028	0.2
503.11951	100.0
504.12250	7.3
504.19653	0.4
736.84753	0.3
935.51111	0.3
1050.85803	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1094.5855
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95779	4.7
78.98470	2.5
79.95139	0.1
79.95603	5.2
80.96395	32.2
81.03337	0.3
83.01280	0.2
85.02831	1.2
87.00734	1.2
91.03853	0.2
94.97964	8.4
95.01273	0.2
96.95889	0.4
97.02834	1.1
97.63588	0.2
99.00743	0.2
101.02342	1.4
101.84985	0.2
105.12928	0.2
106.97980	1.6
113.02341	0.3
122.97475	3.1
125.02361	1.7
127.03902	0.6
134.97488	2.6
136.99055	0.8
140.01100	0.5
148.99048	3.4
152.98526	4.1
152.99544	0.5
164.98553	7.5
167.00137	0.3
168.04233	0.5
174.12933	0.2
179.00043	0.2
182.99673	1.4
188.98692	0.2
196.03731	1.0
206.99644	1.9
212.06610	0.2
214.04865	0.3
224.06961	0.9
225.00711	15.0
226.01041	0.2
233.22620	0.2
242.08057	0.3
243.01703	1.1
275.20187	0.2
277.21725	19.3
278.22089	3.4
299.04437	2.6
414.33783	0.2
474.26279	8.2
475.26456	0.3
477.34604	0.2
502.29431	11.7
503.29755	6.7
576.33148	0.3
577.26874	100.0
578.27155	6.0
596.29114	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1093.6471
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95775	16.7
80.96398	0.7
83.04891	0.2
95.72501	0.1
122.97593	0.1
122.98416	0.7
129.95551	0.2
152.99498	2.8
168.04198	2.5
171.00464	0.2
224.06870	7.8
225.00734	0.3
233.22716	0.5
234.54500	0.1
238.65057	0.2
242.07982	1.8
252.43813	0.2
259.20715	0.4
266.53516	0.1
275.20169	0.7
277.21710	70.2
278.22086	3.2
280.59882	0.1
299.04086	0.2
318.52304	0.1
388.06915	0.1
389.06927	0.2
431.21918	0.1
442.56445	0.1
502.29385	100.0
503.22488	0.3
503.29709	5.5
517.25696	0.8
576.32983	2.3
577.26788	2.6
577.34906	0.2
717.86517	0.2
788.90289	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	1093.6469
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95776	7.2
78.98603	0.1
83.04905	0.2
94.09756	0.1
96.96806	0.2
98.19754	0.1
105.43155	0.1
113.05926	0.1
114.88947	0.1
122.98469	0.1
127.07516	0.2
141.09042	0.1
152.98299	0.1
152.99487	1.7
168.04225	1.7
171.00536	0.1
197.11790	0.1
205.19489	0.1
224.04868	0.1
224.06898	1.2
233.22733	0.6
238.47182	0.1
242.07964	3.0
252.81021	0.1
259.20663	0.6
275.20187	0.6
277.21710	100.0
278.22049	4.2
297.41864	0.1
431.22021	0.1
502.29373	88.5
503.29700	5.1
517.25702	0.7
539.65570	0.1
576.33057	2.9
577.33502	0.2
962.98523	0.1
996.30231	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	1091.6503
Annotation	Unknow
Peak:m/z	Relative Intensity
78.21015	0.3
78.95779	72.0
90.67618	0.3
96.96838	5.0
105.71952	0.4
115.96806	0.3
125.81689	0.3
150.97952	2.4
152.99496	100.0
153.99846	1.1
171.00569	2.2
246.22124	0.3
255.23184	2.4
285.12421	0.4
383.03653	0.3
409.23608	71.0
410.23895	3.8
441.55154	0.3
450.83078	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00226	4.5
58.02848	11.4
59.03177	0.3
59.12254	0.2
60.24225	0.2
61.28299	0.2
64.01800	1.0
65.00198	0.2
65.01321	4.1
65.03838	0.7
65.99726	0.6
66.00832	1.2
66.01649	0.7
66.03357	4.2
67.02883	100.0
68.01284	5.2
68.02368	1.0
68.03219	3.1
70.61819	0.6
72.33915	0.2
74.01002	0.2
79.02896	1.0
80.02533	0.2
81.03339	2.0
81.04466	0.8
81.99224	0.2
82.02855	19.9
83.02404	0.2
83.03192	0.8
87.25671	0.2
91.01766	2.3
108.01269	0.2
108.01500	0.2
108.02055	14.1
109.02843	80.6
109.03962	25.2
110.02365	1.9
110.03227	4.7
110.04317	1.2
128.06177	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1091.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
77.60705	0.3
83.01261	3.0
84.02036	2.8
85.02821	100.0
86.03153	1.0
87.00754	0.6
96.95901	0.4
97.02818	0.4
99.00761	0.6
101.02332	1.2
103.00228	1.5
104.70792	0.3
107.31432	0.3
109.02827	1.0
111.00764	16.4
115.00238	1.1
118.63254	0.3
121.02832	1.4
129.00859	0.7
129.01828	11.4
133.01353	0.5
133.02771	0.4
134.03632	2.1
135.04387	1.0
137.02333	0.6
147.02895	18.6
154.06047	0.4
154.99786	1.8
161.02347	0.7
162.03056	1.0
165.01845	3.3
173.00827	11.4
177.01889	0.3
178.02592	0.8
189.05507	0.9
191.01894	74.5
192.02225	1.3
193.01379	0.7
199.03926	0.4
209.02957	7.7
227.03470	0.5
243.02951	1.5
254.02180	0.6
255.02805	0.6
269.04660	0.5
271.02469	15.1
272.02884	0.9
275.09290	2.6
285.03989	0.7
299.01968	27.2
300.02591	2.4
314.04306	28.1
315.05029	12.9
316.05402	0.5
322.12326	0.3
326.06320	0.5
350.03180	0.3
370.05399	4.4
405.11859	0.4
449.10812	1.9
467.11929	28.9
468.12115	2.2
501.64938	0.4
623.16156	57.3
624.16510	3.8
844.06720	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1089.6855
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95773	9.7
93.02158	0.6
96.95911	0.8
96.96851	0.9
117.69209	0.6
152.99501	14.7
155.04535	0.6
171.00604	1.2
191.05363	0.6
227.03244	2.1
245.04329	1.2
255.23277	100.0
256.23566	3.7
279.23358	1.0
483.27304	83.5
484.27939	4.5
534.54077	0.8
583.19598	1.2
649.71594	0.7
894.53058	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.6027
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95778	71.5
84.17180	0.2
96.95898	0.2
96.96843	5.8
150.97935	1.9
152.99493	100.0
153.99829	0.7
154.45039	0.2
171.00558	2.5
277.21732	1.9
431.22021	61.5
432.22345	4.0
445.23505	0.3
456.55283	0.3
694.31165	0.3
762.93573	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.618
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95776	59.1
79.27262	0.1
96.23716	0.1
96.96842	6.4
116.92731	0.2
150.97922	2.0
152.99490	100.0
153.99783	0.8
167.33057	0.1
171.00562	4.3
265.21713	0.6
279.23349	0.9
321.04697	0.1
383.12976	0.1
422.29532	0.1
431.22089	0.3
433.23584	36.8
434.07187	0.1
434.23901	2.2
610.87561	0.2
714.30176	0.1
730.72412	0.1
1048.07813	0.1
1114.03247	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1070.6757
Annotation	Unknow
Peak:m/z	Relative Intensity
75.14346	1.0
78.95777	17.8
82.22626	1.1
96.96778	1.0
97.18016	1.0
119.24935	1.1
121.80099	1.2
152.99471	5.8
160.44246	1.0
168.04224	3.4
174.53258	1.2
181.49826	1.0
224.06879	7.2
242.07893	1.4
255.23274	97.9
256.23666	3.1
279.23309	6.5
280.23682	1.2
304.52271	1.0
328.88351	1.1
431.71576	1.0
480.30963	100.0
481.31201	4.8
554.34448	3.3
648.69586	1.0
749.12384	1.2
883.98828	1.2
1020.03845	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1081.6098
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95775	21.3
85.95944	17.3
96.95865	25.0
116.92759	30.7
134.54390	20.3
136.00069	19.0
183.01074	41.2
185.02077	21.1
255.23225	28.1
257.21185	35.5
293.21295	30.7
339.19937	100.0
420.53763	19.9
421.23862	25.0
520.24860	23.2
536.87207	18.2
894.49365	19.3
1005.30878	21.2
1020.62817	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	1081.6103
Annotation	Unknow
Peak:m/z	Relative Intensity
81.61351	14.1
92.24082	15.0
106.23119	14.9
116.92741	100.0
146.54535	14.1
157.19368	17.4
159.80045	13.8
183.01201	25.8
339.19916	95.8
353.21381	25.2
690.36444	15.7
932.23431	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	107.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
64.00531	5.0
64.01778	0.5
65.01318	36.0
65.99722	11.5
66.00820	0.9
66.01646	1.0
66.03353	0.5
69.40858	0.3
69.52739	0.6
69.53144	1.9
79.02884	0.5
80.19127	0.3
81.04432	0.4
95.04909	1.4
106.04124	5.6
107.02434	5.9
107.03535	9.5
107.04911	100.0
108.02041	17.1
108.04453	1.3
108.05211	7.4
123.04417	5.8
124.04811	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1068.543
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95776	68.0
84.51242	0.4
87.00674	0.4
96.96837	8.3
97.50153	0.4
117.63875	0.4
128.34563	0.5
139.66632	0.5
140.01089	1.3
150.97942	2.5
152.99490	100.0
153.99800	1.2
162.24814	0.5
171.00565	3.5
196.03763	2.5
214.04857	0.6
223.00046	0.7
241.01170	11.0
274.49930	0.5
277.21719	38.1
278.22073	8.4
315.04791	3.5
413.20941	1.2
431.21994	21.2
431.27872	0.8
432.22366	1.7
474.26248	17.9
475.26627	9.8
476.26563	0.5
593.27301	86.2
594.27606	8.1
594.90430	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1069.6029
Annotation	Unknow
Peak:m/z	Relative Intensity
76.17886	0.3
78.95780	6.8
81.32539	0.4
81.88760	0.4
98.20635	0.9
108.40645	0.3
152.99487	2.7
168.04202	2.0
174.95464	0.4
224.06902	1.2
242.07901	2.9
259.20529	0.5
275.20068	0.5
277.21716	100.0
278.22083	5.8
361.93271	0.4
416.09854	0.4
502.29416	83.4
503.29764	6.8
552.28503	3.1
594.27759	0.6
1054.15906	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1068.544
Annotation	Unknow
Peak:m/z	Relative Intensity
74.67287	0.3
78.95778	48.4
85.04612	0.3
96.96838	7.7
111.16261	0.2
129.49562	0.3
147.82837	0.2
150.97878	0.8
152.99495	56.6
153.99849	0.5
171.00563	2.5
223.00092	7.0
224.00369	0.3
241.01155	15.0
249.45940	0.2
259.02255	0.7
259.26273	0.2
275.20245	0.4
277.21725	30.7
278.22070	2.4
315.04880	6.7
316.05432	0.3
317.75900	0.2
333.05862	0.8
412.80725	0.3
474.26224	3.1
593.27313	100.0
594.27667	9.8
594.37292	0.4
714.14752	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1068.5433
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95778	41.9
84.33043	0.5
96.95885	0.7
96.96841	6.8
129.11649	0.5
145.10732	0.4
150.97989	0.6
152.99493	54.7
171.00592	2.1
223.00075	6.0
241.01147	14.0
259.02051	0.8
270.08588	0.5
277.21729	31.7
278.22006	1.7
315.04898	6.5
329.76224	0.5
392.59128	0.6
431.21930	1.7
474.26102	2.2
532.04382	0.5
593.27325	100.0
594.27649	7.4
942.27838	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.6436
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95777	6.3
81.00999	0.1
81.85973	0.1
83.04863	0.1
104.97311	0.1
110.98415	3.6
119.42326	0.1
120.30518	0.1
127.07552	0.2
152.99471	1.4
164.88748	0.1
167.01050	1.1
185.02127	3.7
199.72928	0.1
233.22685	0.5
259.20728	0.6
275.20105	0.6
277.21713	100.0
278.22055	5.7
279.23172	0.4
280.23615	0.2
404.72424	0.1
431.21976	0.6
445.23593	54.2
446.23944	3.6
476.27780	0.5
477.28040	0.2
483.61407	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	1068.5435
Annotation	Unknow
Peak:m/z	Relative Intensity
76.05164	0.3
77.37898	0.3
78.95777	43.1
79.65138	0.3
95.70368	0.3
96.95882	0.3
96.96848	7.1
116.55713	0.3
150.97925	1.0
152.99495	56.2
154.00002	0.4
171.00597	2.7
218.98563	0.4
223.00073	6.8
233.22783	0.4
241.01164	13.4
241.03604	0.7
259.02304	1.1
259.20450	0.4
261.01389	0.3
277.21732	28.6
278.21924	1.6
315.04932	6.6
333.05951	0.5
473.67307	0.3
474.26346	2.8
477.87680	0.4
593.27325	100.0
594.27631	10.9
719.53516	0.3
754.83173	0.3
907.61932	0.4
1039.06409	0.4
1045.48804	0.4
1083.50195	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1066.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02814	1.5
86.97644	1.0
99.04363	1.5
101.02335	1.1
116.32353	1.1
151.00241	1.8
161.04500	1.1
187.03972	1.1
205.12273	1.2
211.03799	1.1
224.02261	25.1
227.03456	13.6
229.04912	5.4
239.03522	1.2
255.00209	2.0
255.02922	26.7
255.05472	2.0
256.03580	4.1
257.04449	3.8
284.03241	40.3
285.04007	56.4
286.04407	5.1
452.74835	1.2
465.39740	1.1
542.43451	1.2
593.15094	100.0
594.15430	12.3
1040.76855	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.576
Annotation	Unknow
Peak:m/z	Relative Intensity
81.97079	1.1
83.01241	1.6
85.02803	4.3
87.00731	2.2
89.02321	9.0
96.95869	3.2
97.02808	4.5
99.00729	1.4
101.02322	7.5
111.08038	6.9
113.02301	4.1
119.03402	1.7
122.31575	1.1
125.02356	2.0
137.09546	1.6
143.03389	1.3
151.31403	1.3
153.12813	1.2
161.04443	3.6
163.11287	1.2
165.12744	1.9
169.12216	2.3
171.10233	2.9
179.05553	3.1
181.12228	2.4
197.11763	31.8
207.84608	1.3
209.11699	2.8
211.13353	6.2
230.02649	1.7
235.08130	2.6
247.20697	1.4
248.51726	1.1
263.20203	1.7
276.03119	1.2
277.21384	1.7
287.07697	1.6
291.19638	24.2
292.20004	1.6
297.15265	2.2
309.20700	100.0
310.20917	5.4
311.16818	3.8
369.15973	2.6
379.12338	2.0
397.13510	23.3
398.13815	1.9
415.14514	13.8
475.10828	1.2
601.41040	2.2
689.33356	5.9
690.34259	1.4
707.35046	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	1065.6008
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95776	2.4
96.95863	4.1
101.44157	1.5
154.10831	1.7
154.12144	1.8
164.75970	1.5
183.01114	14.3
192.47420	1.6
197.02702	21.6
209.02962	1.8
302.16684	1.9
311.16776	2.6
325.18411	100.0
326.18753	8.7
327.18250	2.5
331.92783	1.9
339.19916	8.1
353.52295	2.0
481.26132	2.1
1065.59509	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	1065.5992
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95763	3.6
78.97803	1.0
79.95632	1.1
98.19807	1.9
125.59026	1.0
142.70912	1.0
152.99475	3.6
183.01135	12.9
184.01672	1.2
197.02692	16.6
198.03175	2.3
199.02359	1.0
216.00928	2.2
230.02391	2.0
235.84766	1.0
241.01135	1.7
255.23251	4.7
279.83231	1.0
311.16846	1.6
323.16867	1.5
325.18411	100.0
326.18744	18.6
327.18094	9.7
328.18451	4.5
339.19931	2.0
446.08182	1.0
571.28821	8.0
730.40271	1.1
1065.58533	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	24.1
71.48272	2.3
71.48610	1.5
72.99181	93.6
73.99515	3.6
75.00746	43.8
105.01821	100.0
105.04482	1.5
106.02168	2.8
106.03976	2.5
110.27001	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	105.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00454	0.7
59.01248	27.3
59.98402	0.4
60.01580	0.7
60.99186	0.4
71.56142	0.5
72.99178	80.9
73.99509	2.2
75.00744	39.8
76.01102	1.0
103.00220	1.0
105.01814	100.0
105.04469	1.1
106.02145	3.2
106.03986	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	105.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90488	1.3
55.34019	1.4
59.01249	22.1
60.01595	1.5
69.24757	2.9
69.25170	11.0
72.77534	1.2
72.99178	83.0
75.00742	41.3
75.71930	1.2
77.10840	1.3
98.20485	3.1
103.00223	1.4
105.01814	100.0
106.02164	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	1051.6495
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95776	6.3
79.23564	0.4
96.95899	1.3
110.98415	3.6
121.58957	0.4
135.90520	0.3
152.99480	2.4
167.01047	0.7
185.02129	3.2
202.17790	0.4
217.54390	0.4
239.08220	0.4
255.23361	0.4
261.22183	0.4
279.23291	100.0
280.23633	6.9
281.24316	0.6
368.17340	0.4
409.23343	0.4
433.23373	0.4
447.25156	45.0
448.25311	2.7
449.24200	0.5
529.30365	2.3
530.30670	2.0
922.24579	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1053.665
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95779	6.2
98.20591	0.2
110.98418	3.2
119.86592	0.2
128.57295	0.2
128.95311	0.2
152.99509	1.9
167.01048	1.6
185.02148	3.0
255.23340	0.6
261.22272	0.4
269.48355	0.2
279.23285	100.0
280.23624	5.6
303.09326	0.2
307.71246	0.2
334.98511	0.2
398.91977	0.2
433.23532	0.8
437.31866	0.2
447.25165	47.0
448.25470	3.9
664.91284	0.2
775.96954	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.6791
Annotation	Unknow
Peak:m/z	Relative Intensity
76.26646	0.2
78.95780	16.7
122.98392	0.3
142.26221	0.3
144.38373	0.2
152.99496	2.8
168.04236	2.4
224.06892	8.4
242.07912	1.7
255.23271	96.7
256.23590	3.9
421.86755	0.3
480.30945	100.0
481.31247	6.3
495.27255	0.8
554.34625	3.7
799.84351	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.6183
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99175	2.0
73.02809	0.5
75.00747	7.4
76.97054	0.2
78.95765	0.5
81.03334	0.3
83.01251	0.3
83.04893	0.3
85.02823	8.8
87.00751	2.7
89.02317	1.0
93.03384	0.2
95.01266	2.3
95.83263	0.2
97.02808	0.3
99.00754	4.4
103.00235	0.9
110.00571	0.2
111.00797	0.4
113.02337	8.9
115.00248	0.7
117.01822	1.2
129.01837	0.7
131.03328	0.2
139.00339	0.2
152.99519	0.3
157.01308	0.5
175.02437	1.1
183.87207	0.2
189.03963	0.3
205.07358	0.2
231.05086	1.1
233.22557	0.3
249.06137	7.2
250.06163	0.2
259.20560	0.4
267.07196	1.3
275.20096	0.2
277.21716	38.9
278.22067	1.6
279.23438	0.3
422.57379	0.2
445.23584	3.4
446.23743	0.2
509.27487	1.0
527.28619	100.0
528.28949	6.5
647.93164	0.2
979.19153	0.3
1071.05750	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.6008
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99172	1.8
75.00743	6.5
75.51353	0.6
78.95780	4.4
85.02827	7.4
87.00744	3.2
89.02331	1.2
95.01280	1.7
99.00758	3.5
103.00275	0.6
104.01662	0.5
104.85506	0.5
113.02338	8.0
113.36076	0.6
128.04898	0.6
129.01814	0.8
152.99454	3.8
158.03018	0.5
167.01019	0.8
175.02397	1.3
185.02019	0.6
197.21234	0.5
230.00351	1.0
231.05093	1.0
249.06145	6.2
267.07233	1.2
277.21732	40.7
278.22064	2.1
298.22729	0.6
445.23566	6.2
509.27661	1.4
527.28644	100.0
528.28925	7.1
595.28558	0.6
816.72418	0.6
931.30566	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.6195
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99178	1.2
75.00752	6.5
78.95774	1.2
85.02824	10.8
85.03294	1.0
87.00765	3.1
89.02311	1.8
95.01260	2.5
99.00773	4.2
103.00273	0.6
110.36237	0.6
110.98400	0.7
113.02335	11.4
114.79974	0.6
117.01808	1.1
129.01813	0.9
152.99440	0.9
157.01245	0.7
175.02336	0.8
205.07117	0.6
249.06093	1.9
267.07062	2.8
277.21725	31.5
278.22134	1.7
279.23294	0.6
279.83377	0.5
314.86929	0.5
445.23520	4.7
446.23996	0.9
527.28638	100.0
528.28906	7.6
581.74500	0.8
834.27307	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
93.03348	0.2
96.95850	0.2
97.02831	0.5
98.20554	0.3
98.94149	0.1
101.16886	0.1
107.01275	0.2
108.02057	0.2
109.02808	1.3
109.99969	0.1
121.02825	1.9
133.02875	0.1
135.00746	0.1
147.00786	0.2
149.02367	0.2
149.99533	0.2
151.00255	0.4
163.00270	0.5
163.04015	0.2
165.01846	5.9
166.02147	0.2
171.04474	0.3
175.03865	0.2
183.04405	0.2
187.03873	0.2
190.99925	0.1
193.01369	1.1
197.02332	0.2
199.03944	1.3
200.04486	0.1
201.01797	0.3
203.03441	0.2
211.03868	0.2
213.89943	0.1
215.03416	0.8
226.02641	0.8
227.03427	1.7
228.04034	0.3
229.01443	0.1
230.10234	0.1
230.36360	0.1
239.03520	0.1
242.02208	0.4
243.02960	3.6
244.03445	0.3
254.02205	1.3
255.02956	1.5
256.03601	0.2
257.04474	0.1
259.06061	0.3
269.04498	1.2
270.01654	0.4
271.02463	37.8
272.02844	2.4
282.01663	0.3
285.04025	1.6
286.04581	0.1
287.05643	0.6
297.03970	0.4
299.01947	51.5
300.02524	6.3
301.02930	0.2
314.04306	49.0
315.05035	23.9
316.05408	1.5
357.06247	0.2
477.10339	3.2
478.10797	0.8
479.10907	0.3
519.11407	100.0
520.11743	9.1
637.56000	0.1
684.36566	0.1
840.35767	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	1041.5633
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99181	1.8
75.24253	1.8
78.95803	1.8
81.03336	2.0
83.01268	2.6
85.02834	4.9
87.00734	3.9
89.02315	11.7
95.61324	1.9
97.02811	3.2
97.06455	2.1
101.02297	9.7
113.02322	4.2
118.55780	1.6
119.03411	3.7
123.04449	3.0
125.02340	4.0
125.09547	2.1
130.44853	1.6
136.03357	1.8
143.03342	1.8
155.10522	1.9
161.04454	4.4
163.11168	4.6
179.05518	4.5
183.01041	2.6
185.11632	3.9
191.14278	4.5
195.13791	7.9
209.11774	7.7
211.13248	2.6
221.06602	2.3
223.13347	4.0
225.11324	3.0
235.08186	2.7
245.19026	7.4
271.17102	2.4
275.20105	4.2
289.18079	50.3
290.18524	2.7
293.21210	100.0
294.21521	6.2
307.19150	43.3
308.19327	2.1
325.18402	5.5
339.19644	2.6
351.91437	1.8
379.12216	2.9
397.13489	34.8
415.14474	14.7
607.25476	2.5
687.32043	4.0
981.53827	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	1037.6338
Annotation	Unknow
Peak:m/z	Relative Intensity
74.33190	0.2
78.95775	65.4
96.95876	0.3
96.96838	6.1
97.14559	0.2
117.08445	0.2
129.50157	0.2
141.67828	0.2
150.97917	2.1
152.99486	100.0
153.99811	1.2
171.00565	3.6
175.19417	0.2
184.38069	0.2
279.23242	1.2
433.23572	41.3
434.23834	2.5
786.86975	0.3
995.64276	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.5844
Annotation	Unknow
Peak:m/z	Relative Intensity
85.31609	32.9
98.20285	30.7
139.35051	34.2
157.29539	32.6
255.23347	37.8
295.22754	40.2
345.04950	32.4
353.21625	100.0
368.23337	44.7
411.05386	39.1
878.83038	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.5844
Annotation	Unknow
Peak:m/z	Relative Intensity
102.08224	53.8
133.49202	50.1
137.96725	51.6
140.52263	50.8
229.51320	79.7
339.19839	75.5
353.21414	65.4
367.23105	100.0
549.26776	66.0
1037.56567	59.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.5461
Annotation	Unknow
Peak:m/z	Relative Intensity
77.76883	1.1
85.02804	5.8
85.87870	1.2
87.00729	1.0
89.02309	6.0
96.95888	3.6
101.02321	4.6
111.00727	0.9
113.02329	2.9
116.92736	2.2
119.03383	1.8
125.02381	1.3
126.52274	0.9
126.99476	1.5
137.09631	1.7
154.06100	1.2
159.02867	1.1
161.04440	2.1
171.10164	12.5
179.05524	4.5
183.01196	6.3
183.13780	1.2
184.01839	2.0
195.13933	1.8
197.02733	4.1
204.01860	1.3
209.11818	1.3
211.13300	6.3
216.00980	2.0
223.13269	1.7
229.14433	4.2
235.08081	2.6
239.12840	2.7
283.13693	46.2
284.13925	2.3
287.07657	1.5
291.19785	2.0
293.21213	37.9
294.21588	2.1
297.15274	4.2
305.08749	1.8
309.20743	9.3
311.22198	1.3
323.09814	1.5
327.21744	100.0
328.22250	5.9
348.64624	1.1
397.13486	21.6
415.14508	24.3
444.04147	1.2
545.29736	1.9
579.06641	1.2
603.42688	5.8
674.93750	1.2
691.35291	9.4
707.34998	23.5
708.35132	2.8
725.35889	19.1
726.36615	1.9
796.20068	1.1
941.33850	1.1
1001.56848	21.0
1002.56885	3.5
1037.54468	37.4
1038.55420	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	1033.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00774	0.3
78.95779	24.3
83.04924	0.4
91.48910	0.3
96.96846	2.2
112.14053	0.3
119.24971	0.3
150.97968	0.8
152.99495	33.1
153.99777	0.3
171.00566	1.7
189.24431	0.3
219.61830	0.3
227.03218	2.7
233.22678	0.4
245.04294	1.0
259.20682	0.3
275.20139	0.6
277.21722	71.7
278.22083	4.2
279.23349	0.5
413.21097	0.6
431.22220	0.3
505.25739	100.0
506.26047	6.6
527.28827	0.4
770.91608	0.3
920.47400	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1035.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
76.18900	0.6
83.01274	1.0
84.02023	0.9
85.02819	22.8
96.95908	0.8
107.01241	1.3
108.02044	1.0
109.02831	1.1
111.00771	1.2
129.01830	1.8
147.02893	3.8
151.00244	5.1
163.00243	1.0
163.03969	0.7
173.00835	0.7
178.99751	2.7
191.01897	17.8
200.07201	0.6
211.03877	1.0
227.03419	1.9
229.05113	0.8
243.02934	5.5
245.04474	1.2
254.02179	0.8
255.02965	15.3
256.03281	0.9
260.81451	0.7
271.02454	32.9
272.02933	1.9
273.03998	1.0
273.45792	0.6
299.01807	0.9
300.02728	63.8
301.03467	24.4
302.03806	1.7
463.08823	1.1
467.11588	1.1
470.14612	0.6
485.12741	6.2
486.13345	0.9
505.09857	100.0
506.10178	8.0
693.62756	0.8
821.74908	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1035.572
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99184	0.3
73.02822	0.4
80.02562	0.2
80.59781	0.2
81.03339	0.3
83.01279	0.3
83.04899	0.9
85.02824	3.2
87.00761	0.6
89.02316	1.8
93.03335	0.1
95.01254	0.3
95.04901	0.9
96.95893	0.5
97.02844	1.0
97.06467	3.0
98.61469	0.1
99.00761	0.2
101.02334	1.3
106.04153	0.2
106.73382	0.1
109.06444	0.4
110.03665	0.2
111.00751	0.2
111.04380	0.2
111.08045	0.6
113.02332	0.8
119.03414	0.4
119.08511	0.2
121.10132	0.2
123.08038	0.4
125.02325	0.5
125.09615	1.1
127.07561	0.2
127.11193	1.3
135.08044	0.2
137.02348	0.2
137.09599	0.6
139.03870	0.1
140.95018	0.1
143.03445	0.3
149.09564	0.2
149.68198	0.2
151.11176	0.2
153.09129	0.2
155.10709	0.7
155.14328	0.5
161.04515	0.4
163.11180	0.4
165.12759	1.1
167.10625	0.4
167.14352	0.9
169.12245	0.2
171.10188	7.0
172.10536	0.4
175.11136	0.2
177.12755	1.3
179.05482	0.8
181.12209	0.3
183.13834	3.6
185.11748	1.0
191.01938	0.2
193.12196	1.2
195.13838	0.6
197.11754	3.2
198.12122	0.2
199.13330	0.6
200.24594	0.2
201.11279	0.4
203.10722	0.4
207.10301	0.4
207.17665	0.2
209.11772	2.8
209.15398	0.5
210.12271	0.2
211.13338	20.8
212.13669	1.0
221.11797	3.5
221.15416	0.4
222.12195	0.3
223.13339	0.3
223.16933	0.3
225.11295	0.7
227.12856	0.7
229.14410	15.4
230.14720	0.9
233.15439	0.2
235.08109	0.7
239.12817	2.1
247.20688	0.7
251.16531	0.6
253.09273	0.3
263.20050	0.3
265.18213	0.2
273.18649	0.5
291.19662	5.3
292.20105	0.3
307.19110	0.2
309.20718	16.9
310.20956	1.0
313.14862	0.2
327.21762	100.0
328.22083	7.0
329.22284	0.3
360.02771	0.1
397.13510	4.9
415.14584	7.8
416.15005	0.3
424.80582	0.2
445.20746	0.2
689.34235	0.4
707.34967	2.8
708.35767	0.5
865.65594	0.2
950.52887	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.5431
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99180	3.0
73.02817	78.2
74.03170	0.8
75.00743	1.9
78.95785	0.8
79.95600	1.3
80.36322	0.5
81.03329	1.1
83.01254	34.5
83.04893	0.9
85.02821	10.7
85.91035	0.5
87.00751	2.9
89.02316	18.9
95.01253	3.3
96.95892	14.5
97.02835	1.9
98.20565	1.1
99.00739	1.1
99.04417	0.7
101.02322	100.0
102.02636	0.9
109.06467	1.1
111.00753	0.6
111.08032	2.7
113.02330	38.8
114.02652	0.6
119.03378	13.3
125.02325	4.0
130.09348	0.5
131.03392	10.5
131.04390	0.9
132.70073	0.6
143.02338	1.1
143.03401	13.5
147.02895	1.2
149.03500	0.4
149.04454	24.3
155.03438	3.9
161.04465	41.7
169.12230	1.8
171.10223	1.8
179.05548	3.2
186.25818	0.5
194.60074	0.5
197.09949	0.9
197.11761	17.4
198.12202	0.6
199.13313	1.6
203.05539	5.1
209.11743	1.2
211.13370	4.3
221.06616	15.8
233.11719	0.8
253.09236	16.8
253.11896	1.1
257.56161	0.5
263.20175	1.6
289.18106	1.3
291.19669	7.7
292.19824	0.7
309.20709	26.9
310.21082	1.0
325.20239	1.6
327.21774	1.9
334.27478	0.5
341.17731	1.5
343.21304	0.9
395.11798	0.6
397.13550	1.5
399.23880	0.7
433.21265	0.7
441.24841	3.1
545.29608	2.2
638.37006	0.6
702.35187	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	1031.6298
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57766	0.8
73.02814	0.6
77.98458	0.5
78.95791	0.8
83.01236	0.6
83.04882	0.5
87.00745	0.8
89.02302	1.6
96.95881	1.7
97.02843	3.0
97.06451	0.7
99.00750	5.7
101.02291	1.5
109.06489	0.8
111.16515	0.5
113.02290	1.2
119.03391	0.6
121.10111	10.0
125.02329	1.1
125.09580	2.1
127.11170	0.5
132.69403	0.6
135.08055	0.9
142.02625	1.0
161.04477	0.7
163.11157	4.3
165.13074	0.5
171.10176	29.6
172.10501	1.3
177.16405	0.8
179.05547	0.8
181.12236	7.1
183.01118	0.5
183.13826	1.8
185.11746	1.6
189.38776	0.5
194.74474	0.5
195.13776	3.2
197.11812	0.8
199.13298	1.1
207.10201	24.2
208.10648	1.3
209.11745	1.4
211.13322	1.2
223.13362	2.4
225.11267	53.1
226.11635	2.4
231.21077	3.3
235.08177	1.8
243.12346	7.1
253.09288	3.6
275.20142	49.2
276.20447	2.6
291.19635	1.2
293.21210	100.0
294.21548	6.5
297.15292	1.5
299.15240	1.0
309.20642	0.7
311.16901	1.5
312.65970	0.5
317.15720	0.6
432.27682	0.5
443.13684	1.1
443.19186	1.2
461.20285	27.1
462.20599	2.0
479.21402	0.6
501.31940	1.3
593.37091	0.7
719.40723	0.9
737.41162	49.9
738.41461	8.3
1031.49829	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40746	1.6
56.37877	1.8
57.03320	14.9
58.99472	4.9
59.01237	5.6
64.00536	2.0
69.34734	5.4
69.35162	13.4
70.56314	1.7
73.02816	3.2
74.02374	1.7
84.07838	1.8
85.02858	2.9
86.20135	1.8
88.00580	4.6
90.75375	2.1
91.66081	1.7
102.04646	26.9
102.98534	2.9
103.01666	3.4
103.02908	5.7
103.03901	5.8
103.05427	100.0
103.91905	8.0
104.05762	7.6
117.72736	1.9
118.52679	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	103.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.7
57.03323	100.0
58.03663	3.5
59.01245	1.3
59.04881	1.1
70.14813	1.2
71.01261	0.3
73.02816	1.9
83.01275	1.2
85.02821	40.1
86.03162	2.3
86.29821	0.3
87.33997	0.3
101.02320	21.5
102.02657	0.9
103.03886	28.9
104.04221	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	1028.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01247	1.4
71.57485	0.2
71.57886	0.2
72.99139	0.2
73.02806	0.2
79.95602	0.3
84.18066	0.1
85.02821	0.6
87.00722	0.3
89.02320	1.2
91.01724	0.2
96.01913	0.8
96.95873	1.3
97.02843	0.2
99.00781	0.2
101.02310	1.1
108.01902	0.2
112.01412	1.6
113.02315	0.5
116.28815	0.2
119.03384	0.5
125.02352	0.5
126.99453	48.9
127.99790	1.0
128.99173	1.4
134.03494	11.4
135.03821	0.3
141.78725	0.2
148.05074	0.8
149.05858	5.6
164.08203	100.0
165.08568	2.3
171.10170	0.4
179.05553	0.5
182.09233	1.1
191.01901	0.3
195.13800	0.6
197.02673	0.6
205.82564	0.2
208.07210	1.9
209.11708	0.3
211.13319	0.2
223.13373	0.7
235.08200	0.7
253.09256	0.2
255.10597	1.7
256.10812	0.2
275.20166	0.6
292.08612	0.3
293.21219	16.1
294.21463	0.9
309.20792	0.2
336.07553	20.0
337.07797	1.1
338.07211	0.3
397.13510	5.8
398.13724	0.2
415.14551	6.3
415.19885	0.3
416.14728	0.5
604.22479	0.2
634.23212	0.2
654.27240	0.3
661.78784	0.2
691.35516	1.1
698.36652	0.2
784.23816	0.2
940.33344	0.2
1028.52917	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86434	0.3
54.97135	0.3
55.01755	0.7
56.90998	0.3
57.03322	100.0
58.03653	3.5
59.01247	1.0
59.04898	1.0
71.02898	0.9
73.02829	1.3
83.01250	1.4
85.02820	35.8
86.03154	1.5
94.38675	0.4
101.02319	19.5
102.02681	0.8
103.03887	25.5
104.04228	1.2
120.54198	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.6622
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95786	0.5
90.96993	0.5
98.19822	0.7
109.98819	0.3
111.08017	0.5
113.09621	5.3
121.02860	0.4
125.75500	0.3
127.07592	0.4
136.49062	0.3
148.13548	0.3
157.98907	0.6
160.97601	0.4
169.12234	0.5
173.01195	0.5
197.01282	0.8
199.13364	1.4
211.02922	0.4
225.04337	0.4
229.07532	0.5
241.07596	0.4
249.04529	0.4
251.05946	1.9
251.09448	0.3
253.07562	4.2
255.09137	4.5
263.06021	0.6
265.04935	0.4
265.07544	2.7
267.09146	4.4
268.06317	3.0
269.06924	0.4
270.07858	0.7
271.08643	0.6
281.07196	0.6
293.10806	0.8
296.09436	1.5
297.06674	1.8
297.09558	0.5
299.08234	0.9
309.10355	0.4
310.91489	0.4
311.08228	0.9
319.15805	0.6
324.19507	0.3
328.08398	11.1
329.08853	0.4
329.23318	3.1
330.23645	0.4
349.16965	41.0
350.17358	3.0
367.18027	12.6
368.18317	0.9
386.98743	0.3
411.16800	0.4
433.19165	0.8
435.20804	1.5
437.22174	1.3
439.20364	0.3
447.20560	0.9
449.22345	0.9
468.23911	0.3
565.29950	0.7
679.40656	0.5
697.42096	100.0
698.42487	14.4
698.51624	0.3
797.33911	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.5167
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58083	0.7
78.95776	36.5
85.69619	0.3
88.94897	0.3
96.96847	6.4
132.83070	0.3
150.97940	0.8
152.24876	0.4
152.99490	52.7
153.99844	0.4
171.00479	1.4
203.82401	0.3
217.84123	0.3
223.00060	5.9
241.01157	13.9
250.71585	0.3
258.84137	0.3
259.02255	0.8
261.22348	0.4
279.23288	37.7
280.23541	1.7
315.04892	5.4
325.45364	0.3
433.23642	1.1
433.48340	0.3
443.98669	0.4
595.28894	100.0
596.29260	8.5
747.04370	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.5848
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01244	16.0
85.02825	3.6
87.00741	4.2
89.02307	16.6
97.02824	10.1
97.06451	2.5
100.23341	2.2
101.02325	14.0
113.02341	8.3
116.92759	3.1
119.03397	4.1
125.02315	3.9
137.09630	2.5
143.03433	2.2
161.04460	4.0
171.10123	5.6
179.05447	4.7
195.13835	2.4
197.11748	2.1
211.13339	2.7
235.08218	6.1
277.21692	44.5
291.19696	28.6
309.20685	100.0
310.21094	5.8
367.23117	5.0
379.12375	3.8
397.13428	47.2
415.14578	15.2
675.35815	3.3
689.34052	4.5
707.34802	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	1027.5847
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01247	18.9
85.02811	6.5
87.00732	4.5
89.02311	12.7
97.02805	6.0
101.02333	14.6
111.08035	4.6
113.02316	10.0
116.92742	3.5
125.02306	11.0
167.26311	2.6
171.10110	8.2
179.05478	5.9
185.11778	2.6
197.02586	4.2
197.11763	20.4
209.15457	4.1
211.13419	6.2
221.06659	3.5
225.14879	3.0
229.25124	2.9
235.08130	7.5
251.16531	5.8
277.21719	53.1
278.22006	4.6
291.19638	25.2
293.21182	7.3
309.20703	100.0
310.21021	8.3
333.89542	2.6
367.22995	24.1
379.12363	8.2
397.13538	57.4
407.25275	2.5
415.14716	14.5
689.33478	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	1022.5735
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01244	0.5
71.19743	0.4
78.95775	14.0
85.29543	0.4
87.47442	0.4
88.96975	0.5
96.96826	1.3
98.19769	1.0
100.96671	0.4
127.07439	0.4
152.99486	19.9
167.33878	0.4
171.00566	1.3
176.84421	0.4
179.95261	0.4
191.54132	0.4
227.03226	3.1
245.04294	1.6
275.20038	0.6
277.21713	100.0
278.22043	7.0
286.38660	0.5
301.54422	0.5
389.67844	0.4
453.29721	0.5
456.89899	0.4
505.25720	91.4
506.26053	6.8
516.27368	0.5
821.55121	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.5958
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	0.6
71.57543	0.6
78.95785	1.1
89.02284	0.4
99.08042	3.1
101.02319	0.4
113.09586	0.4
122.50415	0.3
127.07561	0.7
129.09113	2.2
130.08559	0.3
152.99489	0.4
155.10718	0.3
155.14377	0.5
163.11255	0.4
169.12256	5.8
170.12523	0.3
171.10156	0.9
181.12260	3.0
183.13811	0.8
193.12303	1.3
195.13713	0.4
197.11746	1.1
199.13339	10.4
200.13622	0.3
201.11218	0.6
211.13341	7.4
227.12933	0.7
229.14391	0.6
275.20102	0.9
289.39694	0.3
293.21225	6.1
294.21838	0.4
311.22293	2.3
329.23331	100.0
330.23657	5.3
338.60703	0.3
374.69559	0.3
380.11911	0.3
397.13669	1.3
415.14642	1.1
417.49817	0.3
490.25623	1.2
491.26453	0.4
597.36060	0.4
691.37299	0.6
838.35522	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.5738
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95780	25.2
91.40776	8.9
98.42280	9.2
162.62976	10.1
183.01123	15.3
197.02722	14.9
211.13377	11.0
222.20436	9.7
227.13576	9.1
230.79060	10.1
233.39561	9.8
293.21140	11.3
307.77170	10.6
311.16785	11.5
325.18457	100.0
326.18704	16.5
928.38409	9.7
1021.55664	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	1021.5744
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01241	9.6
101.02282	8.3
113.02250	5.9
154.73691	5.7
179.68726	5.6
182.53313	5.5
183.01123	14.0
197.02669	12.6
223.97185	6.0
229.52115	6.5
277.21619	11.0
311.16989	7.4
325.18387	100.0
326.18738	20.8
327.21722	73.3
328.22156	6.1
339.19839	7.6
397.13443	26.6
415.14575	14.4
707.34772	17.5
725.35333	10.3
985.56696	7.3
1021.55164	25.3
1022.54205	10.1
1051.09253	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	102.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61293	3.4
55.28374	3.4
57.03331	17.5
59.01250	90.9
65.06622	3.7
71.51614	7.0
74.24034	3.4
80.27186	3.4
80.70497	3.9
83.08311	3.0
83.89818	3.7
84.04404	16.0
85.02827	8.9
85.07823	3.1
101.02313	3.9
102.05486	100.0
103.03881	6.7
103.05824	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	102.9848
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30982	0.7
56.32858	0.7
57.03038	1.4
57.03322	23.8
58.99474	100.0
59.01257	1.5
59.99802	2.7
64.00523	1.0
69.46712	4.0
73.09954	0.6
73.90362	0.7
74.98969	4.2
79.16256	0.7
85.02828	6.9
98.19728	0.8
99.27371	0.7
101.02315	4.0
102.98475	29.5
103.02898	0.9
103.03893	6.6
103.98819	1.2
104.04169	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.5643
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01255	10.4
71.01616	0.4
71.04861	0.5
72.99183	1.1
73.02822	1.8
75.00713	0.4
79.95581	0.3
81.03270	0.5
83.01271	1.4
83.04855	0.9
84.02008	0.5
85.02819	7.7
87.00749	2.0
89.02319	8.8
93.03295	0.3
95.01208	0.8
95.04845	0.8
96.95898	1.7
97.02825	3.8
97.06461	2.1
98.88170	0.2
99.00707	0.7
101.02324	8.3
109.02840	0.3
109.06414	0.5
110.03536	0.4
111.00717	0.3
111.04352	0.4
111.08027	3.1
113.02330	4.5
119.03403	2.2
119.08527	0.4
121.02814	0.2
123.07994	0.5
125.02341	3.2
125.09593	1.4
127.07505	0.5
127.11192	1.4
131.03343	0.5
133.04993	0.2
135.07983	0.3
137.09619	2.4
139.03825	0.3
139.38091	0.3
143.03406	1.4
145.04887	0.3
151.11133	0.6
153.09039	0.6
153.12671	0.5
155.10686	1.1
155.14247	0.3
161.04501	2.2
163.11098	0.8
165.08992	0.3
165.12746	1.7
167.10663	0.4
167.14253	0.6
169.12270	1.2
171.10179	23.6
172.10435	0.9
177.12669	0.4
179.05504	2.9
179.10652	0.4
181.12224	1.0
183.13846	3.2
185.04449	0.2
185.11711	0.8
193.12282	1.2
195.13855	0.5
197.11763	13.5
198.12094	0.6
199.13245	0.9
201.11263	1.3
203.10620	0.3
209.11786	1.8
211.13338	14.7
212.13660	0.6
221.06584	1.1
221.11761	2.3
223.13313	0.4
227.12852	1.3
229.14406	8.2
230.14575	0.2
235.08208	3.2
239.12857	1.4
247.20656	1.2
251.16382	0.3
253.09290	0.8
263.07614	0.4
263.20117	0.6
269.17511	0.3
273.18555	0.8
275.20102	0.3
287.07669	0.8
289.18036	0.3
291.19659	13.4
292.20004	0.7
293.21240	2.6
305.08719	1.1
309.20697	42.1
310.21005	2.6
323.09732	1.0
325.20181	0.8
327.21753	100.0
328.22101	6.3
333.20544	0.3
343.21234	5.6
351.21652	0.5
397.13492	24.2
398.13797	1.5
415.14569	18.0
416.15015	1.4
545.30170	0.4
563.30884	0.3
619.41919	4.1
620.43195	0.5
689.33942	0.8
707.34918	10.1
708.35095	1.4
723.34784	0.6
725.35956	5.4
725.48108	0.3
726.36658	1.0
741.36096	0.5
1017.56482	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	1017.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01248	2.8
71.57214	0.8
71.57618	0.9
72.99179	0.9
74.82317	0.7
83.01248	2.2
83.75718	0.8
84.02034	2.3
85.02821	58.0
107.01231	1.2
111.00758	6.3
121.02836	0.9
129.01831	6.3
133.01285	0.9
147.02888	11.3
148.01523	1.1
151.00273	5.4
163.00275	0.9
173.00845	4.3
178.99762	3.2
191.01898	38.5
209.02960	14.2
226.02534	1.1
227.03398	1.8
229.05132	0.8
243.02974	6.3
245.04471	0.9
254.02122	1.8
255.02954	19.5
256.03357	1.2
266.33240	0.9
271.02478	36.9
272.02936	2.6
299.02045	0.9
300.02734	68.5
301.03464	25.6
302.04010	1.0
390.42197	0.8
463.08896	1.7
467.11877	14.2
468.12033	2.1
505.09882	100.0
506.10159	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	1015.5484
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	16.0
71.04890	0.9
72.99187	1.3
73.02813	2.2
75.00766	0.5
79.95618	0.4
80.02566	0.5
81.03350	1.7
83.01266	1.9
83.04883	1.6
84.02046	0.5
85.02821	9.1
87.00750	3.2
89.02318	11.0
93.03332	0.9
95.01260	1.5
95.04922	2.0
96.95890	4.6
97.02826	4.5
97.06451	4.1
99.00760	1.1
101.02325	10.2
105.11358	0.3
107.04929	0.5
109.02845	0.5
109.06483	2.5
111.00780	0.7
111.04385	0.7
111.08050	2.0
113.02322	6.9
119.03410	2.9
121.06527	0.5
123.04410	1.1
123.08031	0.9
125.02327	3.8
125.05988	0.8
125.09609	3.2
127.07551	0.6
127.11184	1.8
131.03389	1.0
135.08040	0.4
137.09621	3.3
141.01836	0.6
143.03397	2.1
149.04466	0.4
149.05988	0.5
149.09543	0.5
151.11215	0.9
153.09088	0.5
155.10732	1.1
161.04495	3.0
163.11201	3.3
165.09030	0.5
165.12762	1.5
167.10593	0.5
167.14287	0.7
168.86739	0.4
169.12253	1.0
171.10185	21.5
172.10519	0.8
175.11148	0.4
177.12787	1.4
179.05513	4.5
179.10718	0.6
181.12273	1.5
182.12874	0.4
183.10214	0.5
183.13803	3.3
185.11743	3.2
191.10724	0.7
191.14302	2.2
193.12256	1.5
195.13847	1.0
197.11775	9.6
199.09785	0.4
199.13344	0.5
201.11247	1.3
203.10727	0.4
207.10205	1.1
209.11784	9.1
211.13347	17.9
212.13634	0.6
217.15967	0.4
221.06639	2.2
221.11781	2.8
223.06248	0.3
223.13353	0.5
225.11131	1.8
227.12839	1.9
229.14417	9.1
229.21025	0.5
235.08223	3.4
235.13373	1.0
237.11382	0.8
237.14941	0.6
239.12819	1.9
245.19083	4.4
247.20747	0.6
249.15019	0.5
253.09251	1.5
259.12610	0.4
263.07764	0.6
263.20224	2.3
265.18146	0.4
271.17017	1.0
287.07843	0.6
287.16705	0.4
289.18097	19.0
290.18475	1.6
291.19656	8.8
292.19904	0.4
293.21179	3.2
305.08923	0.8
307.19150	22.5
308.19363	1.2
309.20697	24.7
310.21048	1.5
323.09863	1.1
325.20206	19.5
325.24115	0.9
326.20450	0.9
327.21756	100.0
328.22067	6.4
331.19058	0.4
341.19727	2.3
351.21872	0.8
369.23129	0.4
379.12457	0.9
397.13498	28.6
398.13785	1.0
415.14575	17.9
416.14899	1.3
563.29742	0.5
599.39240	0.5
607.26019	0.8
617.40411	1.8
650.69043	0.4
687.32629	1.4
689.34314	0.5
705.33667	2.3
707.35107	3.9
708.35675	0.5
723.34509	1.0
725.35883	3.4
726.36456	0.8
917.46631	1.2
997.52509	0.8
1015.55383	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	1009.4968
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01256	3.5
71.06680	0.6
73.02809	0.8
78.95781	0.9
78.98465	3.4
79.95607	6.8
80.96392	40.2
81.03319	0.5
85.02818	1.9
87.00750	1.5
94.97967	9.2
94.98576	0.5
96.95891	0.7
97.02834	0.8
99.00763	0.4
99.04421	0.3
100.11518	0.3
101.02305	2.0
101.77310	0.3
106.97979	2.0
116.32908	0.3
122.97476	1.7
125.02341	1.8
127.03905	0.4
134.97498	3.2
136.99042	1.1
148.99059	4.5
149.20923	0.3
152.98528	3.2
152.99547	0.7
164.98540	7.1
167.00095	0.4
182.86523	0.3
206.99652	1.9
225.00702	11.5
277.21695	1.5
299.04376	2.9
341.67789	0.3
398.86865	0.3
577.26862	100.0
578.27118	8.3
830.61731	0.3
1043.63489	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.6108
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02931	0.5
70.03331	0.7
71.01254	0.6
78.95750	0.2
79.95638	0.2
83.04918	0.4
85.02802	0.4
95.04900	0.4
96.95905	0.4
97.06454	1.0
111.08056	0.4
113.09603	1.7
115.07536	0.6
121.10157	0.3
125.05973	0.6
125.09579	0.3
127.07524	0.4
139.07578	0.4
139.11153	0.6
141.09123	0.8
151.11203	0.5
155.10646	0.3
163.11217	0.2
165.12756	2.6
167.10681	0.4
167.14346	1.0
171.10190	2.8
177.12776	0.3
179.14320	0.4
181.12253	2.8
183.13779	0.7
193.12325	1.0
193.15962	0.5
195.13806	1.5
197.11758	0.6
209.11774	0.5
211.13329	2.4
212.13684	0.4
213.14862	0.6
217.15819	0.3
221.15428	1.2
229.14465	0.6
240.13594	1.4
241.14322	0.5
245.18983	0.4
247.20653	2.8
255.15930	0.4
263.20120	0.5
265.18256	0.2
265.21704	0.4
273.18649	2.1
281.21152	1.4
289.18018	0.3
291.19650	26.4
292.20068	1.9
297.15256	0.8
307.19427	0.3
309.20688	100.0
310.21045	7.1
310.24564	0.4
311.22229	0.3
319.62506	0.2
545.29565	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.6136
Annotation	Unknow
Peak:m/z	Relative Intensity
73.94051	0.1
79.95571	0.7
80.96424	0.1
83.60046	0.1
89.02410	0.1
98.19818	0.3
118.19524	0.1
119.04907	0.9
170.00357	1.4
183.01123	34.7
184.01576	0.8
197.02748	0.8
216.00938	0.4
223.38263	0.1
225.05875	0.5
239.07487	0.9
267.10953	0.2
339.19955	100.0
340.20285	7.4
535.57745	0.1
547.72369	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.4971
Annotation	Unknow
Peak:m/z	Relative Intensity
70.15074	1.7
71.01256	3.1
72.99143	0.5
73.02813	0.6
77.98869	0.4
78.95762	2.6
78.98460	3.1
79.95609	5.9
80.53305	0.4
80.96392	39.2
81.03336	0.5
85.02825	1.8
87.00744	1.7
94.97968	8.5
96.95889	0.7
97.02831	1.0
98.19856	0.5
100.04073	0.4
101.02308	1.4
106.97952	1.8
122.97488	1.6
125.02335	1.6
127.03876	0.4
131.23816	0.4
132.02002	0.4
134.97476	3.1
136.99028	1.2
148.99075	3.5
152.98451	3.2
152.99513	1.9
154.47417	0.5
164.98550	7.4
167.00078	0.6
176.47165	0.4
206.99603	2.0
225.00703	12.1
277.21674	1.8
279.23288	0.8
299.04324	2.7
350.49094	0.5
397.13651	0.5
439.31659	0.4
577.26868	100.0
578.27112	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	1004.6209
Annotation	Unknow
Peak:m/z	Relative Intensity
76.93350	0.2
78.95309	0.5
78.95775	10.0
88.40569	0.2
96.14736	0.2
96.96805	0.5
98.20552	0.5
115.46626	0.2
145.07106	0.2
152.99490	17.6
171.00581	1.6
182.67050	0.2
227.03191	3.0
245.04274	1.2
255.23270	100.0
256.23642	3.8
274.93161	0.3
279.23260	0.6
362.24805	0.3
483.27286	78.0
484.27615	4.6
571.28479	0.3
988.08844	0.3
993.56537	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
69.71304	0.5
69.71713	0.3
73.02814	0.2
83.01260	0.4
85.02812	0.3
91.01768	0.2
93.03326	0.9
94.11144	0.1
96.95884	0.2
98.20605	0.2
99.04391	1.4
101.02330	0.6
107.01262	1.4
109.02827	0.4
113.02334	0.2
117.03316	0.3
124.72430	0.1
125.02352	0.9
126.77950	0.1
126.78905	0.1
131.04927	0.3
132.02014	0.2
135.00780	1.0
143.04927	0.6
143.61301	0.1
151.00279	1.5
153.01808	0.4
154.04140	0.1
155.04901	0.2
157.06465	0.2
159.04414	0.6
161.04504	0.2
163.00279	1.4
164.01024	0.3
165.01794	0.2
167.04886	0.4
169.01382	0.3
169.06520	0.5
171.04398	0.5
174.03181	0.3
175.03880	0.2
178.99857	0.2
182.03702	0.2
183.04407	0.3
184.05223	0.2
185.02287	0.1
185.05994	1.4
187.03926	1.8
189.05504	0.6
195.04443	0.4
196.05257	0.2
197.05965	0.5
199.03873	0.6
200.04745	0.2
201.05476	0.4
211.03918	1.5
212.04517	0.2
213.05510	1.3
215.03389	0.2
224.02338	0.1
226.02364	0.1
227.03448	17.2
228.03819	0.9
229.05020	7.6
230.05336	0.2
239.03462	1.0
240.04109	0.6
241.05003	0.9
243.02988	0.2
255.02962	31.1
256.03522	3.4
257.04517	4.3
267.03027	0.6
269.10349	0.3
283.02606	0.3
283.06158	0.2
284.03259	46.3
285.04019	61.1
286.04416	3.0
299.05566	0.3
311.11313	0.3
327.05084	1.0
413.14474	1.1
500.28241	0.2
593.15100	100.0
594.15411	7.9
848.55310	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.6046
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46646	1.1
69.47081	1.3
76.60109	0.3
78.95779	10.5
85.37930	0.3
96.96847	0.6
152.99495	15.0
171.00494	1.5
227.03282	2.3
245.04294	1.3
261.22394	0.5
279.23288	100.0
280.23639	5.8
507.27277	73.8
508.27676	6.8
582.35907	0.3
693.40533	0.3
757.11249	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1004.5724
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01251	1.6
71.57629	0.6
75.00741	1.7
78.95776	21.9
83.61499	0.4
85.02808	1.8
87.00732	0.5
95.01259	0.6
99.00742	1.2
109.30274	0.4
113.02329	1.7
117.01817	0.4
122.00032	1.0
126.28313	0.4
138.20915	0.4
140.01088	5.9
152.99498	2.7
196.03734	10.0
214.04860	2.4
249.06058	2.1
261.22198	1.0
277.21729	8.3
278.22067	0.6
279.23279	100.0
280.23660	5.9
341.93597	0.4
398.34814	0.5
399.17862	0.4
476.27826	90.9
477.28091	7.5
505.19064	0.5
527.28589	21.6
528.28845	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	1004.5716
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01235	1.1
71.47308	0.3
75.00732	0.9
78.95776	5.2
85.02808	1.3
87.00723	0.6
89.02242	0.4
98.20638	0.9
98.69474	0.3
99.00729	0.8
103.00213	0.4
113.02304	1.4
140.01089	1.6
152.99509	1.0
178.58290	0.4
187.75188	0.3
196.03731	0.9
208.36893	0.3
214.04816	2.9
216.13942	0.4
237.00049	0.4
249.06023	0.3
277.21710	3.6
279.23282	100.0
280.23669	5.8
476.27832	40.1
477.28189	2.5
527.28601	9.4
528.28735	0.8
975.58453	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.5687
Annotation	Unknow
Peak:m/z	Relative Intensity
69.76254	2.1
71.01254	10.2
71.01642	0.4
72.99165	1.0
73.02823	1.6
83.01244	0.9
83.04901	0.6
85.02823	8.3
85.03339	0.5
85.68888	0.3
87.00758	3.1
89.02315	10.2
92.73300	0.3
95.01270	1.3
96.95897	0.7
97.02818	3.0
97.06436	1.9
98.19801	0.8
99.00732	0.5
101.02313	8.2
111.04398	0.5
111.08035	0.5
113.02314	3.6
115.03922	0.4
119.03406	2.5
125.02353	2.9
125.09629	0.6
125.80518	0.4
127.11179	0.8
131.03395	0.4
135.02740	0.4
137.09610	2.1
143.03398	1.5
155.10767	0.7
161.04434	1.9
167.14322	0.4
171.10176	21.2
172.10583	0.4
177.12752	0.6
179.05548	2.7
179.14297	0.6
181.12149	0.4
183.13811	2.1
185.11852	0.4
193.12268	0.5
195.13841	5.3
196.14516	0.4
201.11232	1.0
203.10822	0.4
205.12245	0.6
209.11763	1.4
211.13332	9.1
212.13600	0.4
221.06601	0.8
221.11751	1.7
223.13300	3.1
229.14401	5.7
231.21033	0.4
235.08176	3.3
239.12839	1.5
253.09235	1.5
256.13217	0.7
263.07623	0.5
275.20169	3.5
282.66898	0.4
287.07932	0.5
291.19669	3.1
293.21213	56.8
294.21469	2.6
305.08777	1.1
309.20724	7.1
310.21161	0.5
323.09900	0.7
327.21747	100.0
328.22150	5.6
357.08585	0.3
379.12543	0.4
397.13492	31.2
398.13867	1.7
415.14532	20.9
416.15005	0.9
485.12753	0.4
603.42554	4.2
654.27167	0.4
691.35376	4.8
707.35028	6.4
708.35498	0.8
725.36151	4.6
726.36188	0.6
976.88641	0.5
1001.56427	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.6245
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07063	1.1
69.36685	2.5
70.06592	0.3
71.07373	6.4
77.98446	0.3
79.05476	1.2
81.07056	2.4
83.08625	0.3
86.09702	56.0
91.05481	0.6
93.07052	0.7
95.08609	1.8
98.20695	0.6
98.98470	4.5
104.10739	97.4
105.07072	0.4
105.11084	0.5
107.08586	0.4
109.01900	0.3
109.10162	0.9
118.40162	0.3
121.10163	0.5
125.00000	31.1
135.11757	0.4
143.01054	0.7
163.01527	1.0
168.27422	0.3
181.02560	0.4
184.07335	100.0
185.07695	0.3
240.74225	0.3
258.11032	0.9
337.27249	0.7
369.90646	0.3
502.32944	9.2
520.33972	84.7
521.34296	1.9
815.15784	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.5689
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	9.7
72.99159	0.7
73.02824	1.6
78.72851	0.2
78.95740	0.3
81.03310	0.7
83.01254	0.8
83.04889	0.8
84.02038	0.5
85.02820	8.5
85.03334	0.4
87.00748	2.5
89.02317	8.6
91.42477	0.3
95.01264	0.7
95.04916	0.5
96.95892	1.4
97.02826	2.8
97.06467	2.2
98.19740	0.6
99.00748	0.5
99.04414	0.4
101.02320	7.3
110.03593	0.3
111.08006	0.3
113.02331	4.3
115.03867	0.3
119.03388	2.4
119.08508	0.4
123.08064	0.5
125.02345	2.5
125.09614	1.3
127.07481	0.3
127.11179	1.5
137.09601	1.6
141.01721	0.4
143.03371	1.3
149.04401	0.4
149.90263	0.3
155.10649	1.2
161.04486	1.5
163.11194	0.4
165.12737	0.4
167.03400	0.3
167.10681	0.3
167.14326	0.4
171.10179	19.6
172.10512	0.6
177.12741	0.7
179.05534	3.0
179.14307	0.7
183.13832	2.9
185.04546	0.3
185.11769	0.6
193.12210	0.6
195.13858	3.8
196.14308	0.4
197.11787	0.7
201.11288	1.0
203.10612	0.3
205.12221	0.5
209.11720	1.2
211.13341	12.6
212.13565	0.3
221.06537	1.3
221.11803	2.3
223.13341	3.0
227.12854	0.5
229.14392	8.7
230.14827	0.5
235.08186	3.0
239.12767	1.6
253.09253	1.1
263.07693	0.3
275.20160	2.7
287.07556	0.4
291.19632	3.7
293.21210	42.3
294.21588	2.4
305.08899	1.3
309.20691	10.3
310.20999	0.8
323.09827	0.5
327.21747	100.0
328.22107	6.2
351.21631	0.5
374.54282	0.3
397.13498	18.6
398.13770	1.3
415.14539	17.9
416.14987	0.9
495.55759	0.3
603.42670	3.9
604.43231	1.0
691.35480	2.4
692.35565	0.4
707.35052	7.1
708.35376	1.2
725.36011	6.5
726.36566	1.1
1001.56891	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.6247
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07072	0.2
71.07372	2.2
73.19856	0.1
75.76853	0.1
81.07058	0.3
86.09704	26.5
87.10015	0.2
93.07029	0.1
95.08620	0.3
97.85468	0.1
98.20731	0.4
98.98462	2.0
100.79910	0.1
104.10748	2.5
109.10149	0.1
109.91656	0.1
125.00002	18.1
127.39371	0.1
143.01064	0.3
184.07338	100.0
185.07732	0.8
230.00777	0.2
258.11090	0.2
314.46286	0.1
337.27271	0.2
342.28302	0.1
502.32788	1.7
520.33972	19.0
521.34283	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	996.6035
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03407	0.3
71.04992	0.1
73.02919	0.6
73.06550	1.3
77.03915	0.6
79.05483	5.8
81.03450	0.1
81.53271	0.1
87.04459	7.5
89.06020	33.9
90.06368	0.2
91.05466	3.0
91.07597	0.2
93.07036	0.3
95.04955	2.9
98.89337	0.1
103.05456	5.7
105.07017	100.0
106.07356	1.2
107.04946	0.4
107.07054	1.1
113.05997	0.5
115.05462	0.2
115.07567	0.2
116.06171	0.3
117.07008	0.4
117.09120	1.4
119.04911	0.2
119.08553	0.7
121.06490	2.7
128.06184	0.2
129.06978	1.1
130.08617	0.7
131.07059	2.0
131.08546	6.4
133.08586	24.6
134.08850	0.2
135.10100	0.2
143.08562	0.1
145.06494	0.4
145.10013	0.2
147.08029	2.1
149.09624	0.9
151.09653	0.2
157.08669	0.1
160.38864	0.1
161.11699	0.5
163.07605	0.1
163.11198	0.2
165.07002	0.3
165.09090	0.4
166.07756	0.4
167.08499	0.1
169.10074	0.2
173.09579	0.4
175.09659	1.6
175.11079	0.1
177.11203	8.7
178.07912	0.2
178.11678	0.1
179.08531	0.4
179.12831	0.2
181.10043	0.6
191.10669	0.3
192.09352	0.3
193.10371	0.2
195.12038	0.1
197.09546	0.2
207.11667	0.3
209.11603	0.2
209.13307	0.4
212.89461	0.1
219.12230	0.5
221.09564	0.2
221.13835	1.6
223.11176	1.0
223.15263	0.3
225.12700	5.6
227.12752	0.5
230.04596	0.1
235.14919	0.3
239.14737	0.4
249.12820	0.7
251.14282	12.9
252.14763	0.3
253.15929	3.1
265.16501	0.3
267.13736	0.6
267.17712	0.1
269.15369	1.3
271.15366	0.2
282.05981	0.1
283.17444	0.5
293.15134	0.1
295.16974	0.6
309.19012	0.3
311.16330	0.6
313.18060	1.1
315.17703	0.2
327.17273	2.6
329.18945	11.8
330.19293	0.3
341.19241	0.2
353.18451	0.6
355.20053	0.2
357.20404	0.2
371.19812	0.8
373.21570	3.8
415.22708	0.2
417.24075	0.2
419.23804	0.2
431.23401	0.2
433.25104	0.1
445.25424	0.3
463.26648	0.2
477.27789	3.8
478.28296	0.2
505.29443	0.2
771.43958	0.3
863.25403	0.1
875.52045	0.2
979.56573	0.3
996.57819	0.6
997.58881	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	993.5934
Annotation	Unknow
Peak:m/z	Relative Intensity
70.09143	1.0
71.07370	2.3
73.17853	0.2
74.43071	0.2
79.05484	0.3
81.07037	0.4
86.09706	26.8
88.05596	0.2
93.07031	0.2
98.98472	2.3
104.10747	2.8
110.17763	0.2
125.00004	19.2
150.87373	0.2
165.94975	0.2
184.07339	100.0
185.07672	0.4
375.96298	0.2
432.44681	0.2
500.31488	1.8
518.32434	18.4
519.32605	0.4
546.62018	0.2
836.17712	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.5932
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07056	0.7
69.37186	2.0
70.06590	0.2
71.07373	5.8
72.12396	0.2
79.05490	1.4
81.07059	1.7
81.09406	0.2
83.08566	0.2
86.09703	50.7
88.95350	0.2
91.05486	0.9
91.94740	0.2
93.07036	1.7
95.04995	0.3
95.08599	1.1
98.98458	4.1
102.43979	0.2
104.10740	92.1
105.06994	0.5
105.10996	0.3
107.08604	0.6
109.10154	0.7
119.08600	0.3
121.10158	0.7
125.00002	28.2
133.10130	0.4
142.59708	0.2
143.01033	0.5
163.01599	1.1
174.31018	0.2
181.02673	0.3
184.07335	100.0
185.07619	0.2
211.96486	0.2
258.11063	0.9
259.78885	0.2
335.25934	0.8
441.23990	0.4
500.31354	9.9
518.32422	88.4
519.32745	1.2
759.03424	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	996.6036
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03407	0.1
71.04974	0.2
73.02896	0.8
73.06549	1.4
77.03926	0.5
79.05481	5.7
81.03424	0.2
87.03912	0.3
87.04456	7.2
89.06020	37.7
90.06349	0.3
91.05470	3.5
91.07561	0.3
93.07011	0.3
95.04956	3.0
103.04771	0.3
103.05456	5.3
105.07016	100.0
106.07341	0.9
107.04967	0.2
107.07066	1.1
113.06003	0.3
115.05402	0.3
115.07581	0.2
116.06213	0.4
117.06992	0.4
117.09126	1.5
119.04961	0.2
119.08556	0.8
121.06489	2.3
129.07007	1.4
130.08609	0.6
131.04877	0.2
131.07039	2.9
131.08549	6.6
133.08586	27.4
133.10190	0.7
134.08894	0.3
135.10091	0.2
145.06442	0.3
145.10091	0.2
147.08035	2.6
149.09628	0.9
151.09586	0.2
157.08585	0.2
159.10149	0.3
161.11696	0.6
165.06931	0.3
165.09087	0.4
166.07750	0.3
169.10086	0.2
173.09598	0.4
175.09676	1.9
175.11098	0.2
177.11200	9.5
179.08571	0.2
180.09204	0.1
181.10095	0.6
186.79153	0.1
191.10590	0.5
193.12215	0.2
195.08029	0.2
195.12076	0.1
207.11771	0.2
209.09789	0.2
209.11678	0.4
209.13336	0.3
219.12186	0.6
221.09605	0.2
221.13814	1.9
222.10439	0.2
223.11087	1.1
223.15184	0.1
225.12717	6.5
226.13008	0.2
227.12720	0.4
235.14842	0.3
239.14699	0.4
249.12738	0.7
251.14285	12.6
252.14645	0.3
253.15929	3.2
255.15854	0.3
265.16486	0.3
267.13736	0.4
267.17526	0.1
269.15369	1.2
271.15436	0.2
277.15805	0.2
283.17401	0.7
295.16992	0.8
309.18951	0.3
311.16452	0.5
313.17908	1.0
315.18027	0.4
327.17273	2.4
327.20428	0.3
329.18948	12.6
330.19330	0.3
339.19595	0.2
343.57797	0.1
353.18823	0.6
355.20401	0.7
357.20572	0.3
371.19879	0.4
373.21585	3.9
375.21365	0.3
397.23911	0.2
401.23151	0.2
405.22058	0.2
415.22830	0.2
417.24084	0.3
419.24191	0.3
433.24924	0.2
441.26733	0.1
463.26443	0.2
477.21204	0.2
477.27866	4.3
478.27905	0.1
483.45355	0.2
507.29218	0.2
551.32019	0.2
595.34253	0.2
771.44873	0.3
856.84552	0.2
875.50110	0.5
979.56366	0.3
996.58765	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.5824
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03431	0.5
71.04979	0.3
72.08160	0.3
73.02907	1.6
73.06551	3.3
77.03924	0.8
79.05485	4.7
79.63628	0.2
81.03453	0.2
87.04460	28.0
89.06023	64.3
90.06371	0.5
91.05473	8.3
91.07579	0.4
92.25087	0.2
93.07032	3.2
95.04958	3.8
103.05456	8.2
105.07019	100.0
106.07352	0.6
107.04975	1.3
107.07064	2.8
107.08640	0.3
113.06007	1.6
115.05455	0.8
115.07556	0.6
116.06236	0.7
117.07008	0.9
117.09132	2.8
119.04941	1.8
119.08560	2.6
121.06493	25.2
123.08088	0.3
128.06221	0.7
129.07002	2.8
130.08611	2.8
131.07031	7.1
131.08560	6.7
133.06482	1.0
133.08588	40.8
135.08032	0.3
135.10118	0.3
141.06975	0.5
145.06541	1.3
147.08023	5.7
147.09781	0.2
149.09615	2.8
151.09650	0.4
153.06995	0.4
154.07770	0.4
155.07239	0.3
155.08493	0.9
157.08696	0.6
157.10138	0.3
159.10138	0.5
161.09631	0.3
161.11713	0.7
163.07530	0.7
163.11183	0.5
165.06981	3.6
165.09113	2.4
166.07744	3.2
169.10136	0.9
172.98705	0.2
173.09616	1.1
175.09676	4.1
175.11156	0.5
177.11209	10.3
179.08562	0.6
180.09271	0.4
191.10655	1.3
192.09320	0.4
193.10629	0.5
193.12265	1.3
195.08063	0.3
195.12079	0.3
197.09616	0.7
203.12733	0.3
207.11836	0.3
209.11606	0.7
211.13300	0.8
219.12302	0.8
221.13832	1.0
223.11122	1.6
225.12709	6.8
230.83658	0.4
235.13284	0.7
237.14944	0.3
239.14545	0.8
245.99748	0.2
249.12750	0.5
251.14340	2.5
255.15901	0.8
267.13913	0.3
267.17505	1.0
269.15344	13.4
283.17502	0.4
295.16980	0.9
299.18402	0.8
310.34723	0.2
311.16516	0.6
313.18036	1.2
319.66812	0.3
339.19690	0.3
535.08392	0.3
595.56128	0.3
990.72137	0.6
991.57111	0.3
991.73560	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.5598
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	2.6
69.07064	0.7
71.01359	0.5
71.04770	0.4
72.08167	0.4
73.02907	2.6
73.03245	0.2
79.05488	1.8
81.03413	1.3
81.07056	2.4
83.08651	0.3
85.02898	3.8
87.04469	0.3
89.06100	0.2
91.03954	2.0
91.05482	1.2
93.07035	1.8
95.04973	0.5
95.08611	1.6
97.02890	4.4
97.06582	0.2
99.04456	0.5
101.02369	1.6
103.03941	0.3
105.07025	1.3
107.08603	0.9
109.02906	0.6
109.10155	0.8
115.03954	0.3
119.08613	0.7
121.10172	0.7
125.58645	0.2
127.03901	1.1
131.08621	0.3
133.10136	0.3
135.11707	0.3
138.77728	0.2
145.04964	0.3
147.11736	0.3
159.11807	0.3
185.04300	0.7
203.05403	0.7
243.08299	1.4
259.07968	0.2
310.34866	0.4
325.61234	0.2
333.20361	1.5
335.25867	0.3
347.09494	2.7
363.09039	0.8
365.10706	1.0
389.23499	0.3
405.13626	5.2
405.18433	0.4
439.19702	0.3
452.29758	0.2
453.20956	0.3
519.29254	4.7
551.28308	2.6
565.78735	0.3
588.02460	0.2
681.34515	5.1
713.33649	2.2
829.51141	0.8
990.73273	0.8
991.55945	100.0
992.56378	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	991.5824
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03431	0.5
71.04979	0.3
72.08160	0.3
73.02907	1.6
73.06551	3.3
77.03924	0.8
79.05485	4.7
79.63628	0.2
81.03453	0.2
87.04460	28.0
89.06023	64.3
90.06371	0.5
91.05473	8.3
91.07579	0.4
92.25087	0.2
93.07032	3.2
95.04958	3.8
103.05456	8.2
105.07019	100.0
106.07352	0.6
107.04975	1.3
107.07064	2.8
107.08640	0.3
113.06007	1.6
115.05455	0.8
115.07556	0.6
116.06236	0.7
117.07008	0.9
117.09132	2.8
119.04941	1.8
119.08560	2.6
121.06493	25.2
123.08088	0.3
128.06221	0.7
129.07002	2.8
130.08611	2.8
131.07031	7.1
131.08560	6.7
133.06482	1.0
133.08588	40.8
135.08032	0.3
135.10118	0.3
141.06975	0.5
145.06541	1.3
147.08023	5.7
147.09781	0.2
149.09615	2.8
151.09650	0.4
153.06995	0.4
154.07770	0.4
155.07239	0.3
155.08493	0.9
157.08696	0.6
157.10138	0.3
159.10138	0.5
161.09631	0.3
161.11713	0.7
163.07530	0.7
163.11183	0.5
165.06981	3.6
165.09113	2.4
166.07744	3.2
169.10136	0.9
172.98705	0.2
173.09616	1.1
175.09676	4.1
175.11156	0.5
177.11209	10.3
179.08562	0.6
180.09271	0.4
191.10655	1.3
192.09320	0.4
193.10629	0.5
193.12265	1.3
195.08063	0.3
195.12079	0.3
197.09616	0.7
203.12733	0.3
207.11836	0.3
209.11606	0.7
211.13300	0.8
219.12302	0.8
221.13832	1.0
223.11122	1.6
225.12709	6.8
230.83658	0.4
235.13284	0.7
237.14944	0.3
239.14545	0.8
245.99748	0.2
249.12750	0.5
251.14340	2.5
255.15901	0.8
267.13913	0.3
267.17505	1.0
269.15344	13.4
283.17502	0.4
295.16980	0.9
299.18402	0.8
310.34723	0.2
311.16516	0.6
313.18036	1.2
319.66812	0.3
339.19690	0.3
535.08392	0.3
595.56128	0.3
990.72137	0.6
991.57111	0.3
991.73560	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	990.7285
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03408	0.2
69.07065	0.4
70.05769	0.6
70.06586	12.0
71.04981	0.3
71.08618	1.3
72.04528	0.3
72.08147	3.5
73.02908	0.9
79.05505	0.2
81.07049	0.2
84.08135	5.5
85.02898	0.2
85.10202	0.6
86.06061	0.3
86.09698	6.8
87.04472	0.6
88.07640	0.7
88.52230	0.1
89.06023	4.2
89.06551	0.3
91.05510	0.2
93.07052	0.2
95.04967	0.2
95.08592	0.2
96.08130	0.5
98.09727	0.2
98.20786	0.2
100.07610	0.2
102.09177	0.2
105.07095	0.1
107.04993	0.2
107.07079	0.2
109.10168	0.1
112.07623	0.4
114.09156	6.0
116.10725	0.3
131.08549	0.1
132.10217	0.2
133.08640	0.2
140.07094	0.2
146.11852	0.2
170.76512	0.1
176.12762	0.2
202.14505	0.3
225.37825	0.2
242.25151	0.2
244.10068	0.1
246.17023	0.1
264.18149	0.2
268.29965	2.4
278.19580	0.2
282.31671	0.6
294.31546	5.3
296.33093	8.6
310.31183	0.2
312.32483	1.2
322.22278	0.1
338.34567	0.2
352.23608	0.2
356.35364	0.7
366.24942	0.3
368.36072	0.2
396.26059	0.3
400.38025	0.6
410.27625	0.4
440.28595	0.2
444.40729	0.3
454.30173	0.3
488.43085	1.2
532.45642	2.0
576.48273	4.7
620.50867	5.7
664.53674	4.7
664.62598	0.1
708.56256	3.5
752.59180	0.9
796.60828	0.7
990.72888	100.0
991.73010	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	991.5602
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	2.2
69.07048	0.7
70.06578	0.9
70.58629	0.2
70.83921	0.3
70.84281	0.5
72.08150	3.1
73.02911	2.6
76.60065	0.2
79.05491	2.1
81.03429	1.2
81.07054	1.7
83.01080	0.3
83.04998	0.3
83.08590	0.2
84.08128	0.4
85.02898	3.6
86.09705	0.4
87.04455	0.9
89.06011	2.1
91.03937	2.2
91.05470	1.8
93.07025	2.1
95.04973	0.6
95.08592	1.3
97.02883	3.4
97.10162	0.3
99.04447	0.5
100.07596	0.9
101.02386	1.8
105.07026	2.7
106.93458	0.2
107.08573	1.0
109.02855	0.5
109.10156	0.3
110.19476	0.9
111.04193	0.4
112.07612	0.4
114.09145	0.4
115.03848	0.3
116.10731	0.2
117.07015	0.5
119.08568	1.5
121.10142	0.7
121.22569	0.2
127.03864	1.0
129.05482	0.5
129.07054	0.3
130.08582	0.3
131.08566	0.7
133.08603	0.5
133.10103	1.0
135.11681	0.5
139.07324	0.3
143.08536	0.3
145.10179	0.5
147.08026	0.6
147.11685	0.8
149.13257	0.3
155.06819	0.4
159.11703	0.3
161.13211	0.4
171.06313	0.4
185.04218	0.9
196.68736	0.2
199.09439	0.7
201.03786	0.7
203.05272	1.0
233.62210	0.2
243.08403	1.6
243.12090	0.4
259.07724	0.4
259.20502	0.5
264.18057	0.2
271.15091	0.5
275.07498	0.4
287.14618	0.3
294.31683	0.3
296.33115	0.3
301.08951	0.9
301.16153	0.2
303.14267	0.3
310.34647	2.1
311.34918	1.0
313.09030	0.4
315.10596	0.5
315.17700	0.4
317.20755	0.8
319.10068	0.4
327.10388	0.2
329.08478	0.5
331.10223	0.4
331.17111	0.3
335.20514	0.3
338.34201	0.2
347.09464	3.9
352.23282	0.3
355.13766	0.2
363.08798	1.4
365.10669	0.9
375.19958	0.4
383.16724	0.3
396.25870	0.3
397.18356	0.3
405.13647	6.1
437.21069	0.2
463.13962	1.7
463.24799	0.4
465.20877	0.6
475.14288	0.4
477.16061	0.5
488.75238	0.3
495.21408	0.3
517.18933	0.5
519.20831	0.2
523.27496	0.3
525.22992	0.4
531.20746	0.5
535.16162	0.3
535.28723	5.5
545.21649	0.5
547.23785	0.3
551.30243	0.6
559.23419	0.9
567.29266	0.2
595.32947	0.3
599.26544	0.4
607.30475	0.5
627.25562	1.2
629.27625	0.3
634.51978	0.3
635.52087	0.3
639.35309	0.4
655.35571	0.4
678.55347	0.3
687.28076	0.8
697.34027	9.0
698.33527	0.3
727.41113	0.4
769.35864	1.1
781.42621	0.3
783.36957	0.3
811.40906	0.3
829.50140	0.7
853.44537	0.5
905.50909	2.8
922.48169	0.3
990.73096	10.2
991.55890	100.0
991.72412	8.3
992.56317	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	990.7294
Annotation	Unknow
Peak:m/z	Relative Intensity
69.04581	0.2
69.07061	0.4
70.06587	10.8
71.05004	0.4
71.08624	0.9
71.60011	0.2
71.60391	0.2
72.08150	3.6
72.53793	0.2
73.02917	0.7
73.06557	0.3
79.05505	0.5
80.70541	0.2
81.07054	0.2
83.08600	0.3
84.08136	4.9
84.08611	0.3
85.10200	0.8
86.06049	0.4
86.09697	6.1
87.04510	0.4
88.07645	0.5
89.06025	4.1
89.06540	0.2
91.05489	0.4
93.07057	0.3
95.08601	0.4
96.08140	0.6
97.02832	0.2
98.09674	0.3
100.07624	0.4
102.09219	0.2
105.07079	0.2
107.04926	0.3
109.10209	0.2
112.07636	0.3
114.09155	5.3
116.10738	0.3
132.10260	0.3
142.08626	0.2
202.14410	0.3
264.17972	0.2
268.29974	2.2
269.83966	0.2
282.31671	0.5
294.31558	4.8
296.33109	6.2
310.31012	0.3
311.25732	0.2
312.32663	1.2
320.33182	0.2
324.31686	0.2
335.25888	0.3
352.23480	0.3
356.35321	0.5
366.25009	0.2
400.38037	0.8
410.28122	0.3
440.28714	0.3
444.40356	2.2
488.43164	2.0
532.45673	3.0
532.52234	0.2
558.48114	0.2
576.48370	3.2
596.35724	0.2
620.50818	4.0
650.37732	0.2
663.59302	0.2
664.53516	3.8
708.56091	2.5
752.58777	2.3
796.61365	1.1
840.64514	0.6
990.72931	100.0
991.73480	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	990.5605
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03420	17.3
69.07061	7.9
70.06586	7.6
71.01343	1.2
71.04992	3.4
73.02911	5.8
77.03915	0.7
79.05483	24.7
80.05006	2.6
81.03407	22.6
81.07047	33.6
82.06565	2.0
83.04973	6.2
83.08607	9.1
84.04029	0.7
84.04497	8.5
84.08136	3.7
85.02893	18.4
85.06539	1.3
86.06057	55.0
86.09693	0.5
87.04458	26.3
87.06330	0.4
91.03947	8.4
91.04884	0.6
91.05470	18.1
93.07032	28.7
94.06581	2.6
95.04954	10.6
95.08595	23.7
95.09225	0.5
96.04498	0.8
96.08124	2.5
97.02882	14.7
97.06525	5.8
97.10149	2.6
98.06044	44.8
98.20731	1.2
99.04459	1.5
99.08054	0.7
100.07600	0.4
101.02354	2.0
102.05527	1.6
104.07092	33.7
105.04492	0.6
105.07012	12.5
107.04290	0.5
107.04935	2.7
107.08582	13.0
109.02887	2.3
109.06496	2.0
109.10144	9.1
110.09665	0.6
111.04439	1.4
111.08057	2.9
112.07590	16.0
114.05523	1.1
115.03922	0.6
115.05444	0.6
117.06990	2.9
119.08576	9.7
120.08119	0.8
121.06500	1.2
121.10125	16.3
122.06004	1.4
122.09704	0.7
122.10538	0.5
123.04399	0.7
123.08031	2.4
123.11685	2.6
124.07590	4.5
125.09624	1.4
126.05498	10.3
126.06358	0.7
126.09152	2.0
127.03894	4.1
128.07085	1.1
129.06992	2.8
131.08551	11.0
133.06476	0.7
133.10112	6.3
135.08018	1.0
135.11684	6.4
136.07599	2.0
137.09644	1.0
137.13242	2.0
138.05490	0.9
138.09113	2.5
138.12738	2.5
139.11203	1.6
140.07045	3.9
142.07695	0.7
142.08652	3.0
143.08542	0.4
145.04900	2.3
145.10098	3.5
147.08031	1.4
147.11670	6.1
148.07542	3.6
148.11174	0.6
149.09601	35.9
149.13235	4.0
150.09113	0.9
151.11252	0.8
152.07039	0.7
154.08630	3.3
157.10109	3.6
158.08109	9.7
159.11671	3.1
161.13278	1.3
163.06056	1.3
163.11256	0.7
163.14813	0.8
165.12753	3.4
166.08627	0.9
166.12277	3.7
166.15965	0.7
167.10695	1.4
168.10176	0.6
168.13829	0.4
171.11659	0.6
173.13304	1.2
175.11179	5.0
176.10704	0.5
177.12746	2.4
182.15324	2.3
184.13350	3.5
187.13298	0.4
187.14792	0.8
189.11156	0.5
192.13860	1.1
193.12221	12.3
194.15355	0.9
195.13866	1.5
206.15413	4.6
210.14867	8.4
211.13301	2.9
212.16467	0.9
213.14903	0.8
222.14886	0.8
224.16489	5.3
227.12915	1.2
228.16098	0.6
231.13933	0.4
232.16898	1.0
234.14864	4.4
236.16415	0.7
240.15971	1.3
243.21118	1.5
249.14964	0.5
250.14348	0.4
250.15427	0.6
250.17970	5.5
252.15919	20.4
258.17010	0.6
260.16470	7.2
261.22134	6.2
266.12402	1.1
267.15884	33.8
268.16266	0.7
268.19009	4.2
270.16928	2.2
278.17490	15.8
280.82770	0.4
284.18576	1.1
286.20081	0.5
288.17950	1.0
294.09955	0.6
296.18533	8.5
301.25269	0.7
302.19675	1.0
309.16971	0.7
314.19556	3.6
317.24832	1.1
326.19659	2.8
335.25766	32.4
336.26001	0.8
342.22791	0.6
344.20663	4.6
352.21216	1.5
353.26923	0.6
362.21695	3.3
370.22198	7.7
388.23251	4.0
421.25851	0.6
435.32755	0.8
453.33917	0.9
471.34521	0.5
527.37280	16.0
528.37976	1.2
545.38367	12.1
560.36310	0.6
569.38062	0.9
586.41132	0.7
604.42194	5.8
612.41821	0.8
622.43073	47.7
623.43451	2.0
630.43317	4.3
648.44653	100.0
649.44855	3.7
653.40649	0.4
666.45605	1.5
690.45941	1.1
748.46356	1.0
766.47119	2.8
784.48309	18.8
785.48505	0.7
792.48901	1.5
810.49835	54.0
811.49902	2.1
828.50916	1.2
928.51947	1.1
946.53485	2.3
954.54254	1.9
972.55127	45.4
973.55487	3.3
990.58539	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	990.5627
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	15.5
69.07060	7.0
70.06586	9.1
71.01341	0.9
71.04986	3.2
71.60752	1.1
71.76076	0.6
73.02916	5.4
74.67913	0.6
79.05486	24.6
80.05010	2.8
80.46683	0.6
81.03413	18.4
81.07048	32.3
82.06575	2.4
83.04976	6.2
83.08612	7.3
84.04497	6.6
84.08131	2.2
85.02899	16.8
85.06532	1.0
85.34668	0.6
86.06058	49.6
87.04460	23.4
91.03947	7.8
91.04900	0.6
91.05004	0.4
91.05470	17.2
93.07035	28.9
94.06565	1.6
95.04964	9.0
95.08595	24.2
96.04480	1.3
96.08128	2.2
97.02884	12.4
97.06505	4.5
97.10166	1.8
98.06045	55.3
99.04440	1.6
99.08110	0.6
101.02396	1.0
102.05531	1.4
104.07097	30.2
105.07014	12.9
107.04938	3.0
107.08585	11.3
109.02883	1.9
109.06504	2.0
109.10146	9.3
110.06054	1.2
110.09682	1.4
111.04424	1.5
111.08087	2.0
112.07594	14.6
114.05550	1.2
115.03891	0.9
117.07005	3.4
119.08571	8.3
120.08086	0.7
121.06530	1.2
121.10136	16.8
122.06024	1.5
123.04420	0.6
123.08086	1.8
123.11681	3.2
124.07609	4.1
125.09604	1.1
126.05499	12.0
126.06361	0.9
126.09146	2.1
127.03876	3.3
128.06181	0.6
128.07062	0.9
129.06993	3.0
130.08730	0.8
131.08554	10.2
133.06482	1.0
133.10115	6.5
135.08037	0.8
135.11649	6.6
136.07594	1.6
137.13255	0.8
138.05492	0.6
138.09184	1.8
138.12784	2.4
139.11189	2.1
140.07039	3.7
142.08638	4.1
145.04997	2.4
145.10109	2.9
146.08116	0.9
147.08029	1.1
147.11668	6.3
148.07562	3.3
149.09607	33.6
149.13231	3.1
151.11230	1.3
152.07086	0.7
154.08659	5.5
157.10121	3.4
157.55118	0.6
158.08110	6.9
159.11707	2.5
161.13252	2.1
163.06039	1.3
163.11165	0.8
163.14774	1.2
165.12799	2.4
166.12259	2.9
167.10730	1.9
173.13278	1.5
175.11159	5.2
175.14839	1.0
177.12738	2.4
182.15392	1.0
184.13290	4.8
189.11244	0.6
192.13812	0.7
193.12222	9.6
194.15379	1.0
195.13878	1.7
206.15356	3.8
210.14871	6.9
211.13304	1.7
212.16583	0.6
224.16463	6.2
228.15898	1.0
232.16776	0.8
234.14859	4.4
240.16083	1.0
243.21074	0.9
250.17953	4.5
252.15927	24.3
260.16470	6.4
261.22134	4.8
266.12469	1.4
267.15894	28.7
268.16486	0.7
268.19104	2.7
270.17007	2.7
278.17508	11.4
279.60510	0.6
296.18591	5.7
301.14590	0.6
302.19763	1.0
304.21304	0.7
308.18582	0.7
314.19647	3.2
326.19666	2.2
331.13455	0.7
332.24310	1.7
335.25763	35.0
336.26096	0.9
344.20673	4.9
344.49783	0.6
352.21259	1.6
362.21597	4.3
370.22165	5.2
387.29440	0.6
388.23187	4.8
418.06253	0.6
421.26004	1.0
435.33096	1.0
453.33502	1.7
527.37390	14.4
545.38336	13.0
546.38727	0.9
569.37903	0.7
604.41882	5.6
622.43091	56.1
623.43085	2.2
630.43524	4.0
648.44641	100.0
649.44763	4.5
666.46088	3.4
748.46649	1.1
766.47192	2.7
784.33746	1.3
784.48309	23.8
785.48700	1.0
792.49146	1.4
810.49866	57.9
811.49884	3.6
828.50928	2.3
928.53491	0.9
946.53418	3.9
954.52985	1.0
972.55121	41.6
973.55157	2.9
990.58887	6.7
1021.68860	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6607
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	1.3
69.07076	3.6
71.04982	1.2
71.08625	29.0
71.60194	0.9
73.02917	3.7
73.06541	3.9
77.03920	0.6
79.05478	4.0
81.07051	3.4
83.05003	0.7
83.08584	1.0
85.02895	0.9
85.10172	17.5
87.04459	41.8
89.06023	100.0
91.05470	15.5
93.07033	9.5
95.04946	4.3
95.08596	4.0
97.06546	0.6
103.05466	2.4
105.07018	7.7
107.04948	3.6
107.07066	4.5
107.08597	5.0
109.06499	1.0
109.10142	1.3
113.06022	1.5
115.05453	0.6
115.07542	0.7
117.07016	4.2
117.09150	3.6
119.04943	2.4
119.08570	8.6
121.06493	15.0
121.10156	1.9
123.08098	1.1
127.14816	1.4
129.07010	1.7
130.08646	2.6
131.07033	13.1
131.08527	3.5
133.08591	64.7
133.10182	2.6
135.08060	3.8
135.11676	2.0
136.05188	1.5
140.81485	0.5
143.08513	1.0
145.06544	0.7
145.10101	3.7
147.08035	11.3
147.11685	1.5
149.09601	5.4
149.13258	1.3
150.06808	1.3
151.09624	0.8
155.08546	1.2
157.08643	0.6
157.10149	1.0
159.10329	0.8
159.11699	2.7
161.09656	1.0
161.11748	1.1
161.13283	0.8
163.07607	0.6
163.11201	3.0
164.08267	0.8
165.09099	3.8
167.10661	1.5
169.10294	0.9
171.11769	1.0
173.09647	0.9
173.13292	1.0
175.09669	9.5
175.11145	1.3
175.14752	0.5
177.11211	23.9
177.12604	1.4
179.12874	0.5
183.11774	1.1
191.10712	3.4
191.14304	0.9
193.10660	1.3
193.12283	2.0
207.10112	0.6
209.11714	2.0
211.13278	2.3
213.16325	0.8
217.12222	0.7
217.93343	0.6
219.12199	3.3
221.13774	3.2
223.15425	0.6
235.13284	2.3
237.14886	0.9
239.14955	1.9
247.20547	17.3
253.14301	0.9
255.15840	1.6
261.22153	1.1
265.16476	0.8
273.22119	3.8
279.15811	1.2
283.17557	1.7
289.21777	1.1
289.25232	1.7
291.19843	1.4
291.23148	26.1
299.18445	1.3
309.19046	1.2
317.24680	3.1
319.26089	1.2
327.20105	1.2
333.24265	1.1
335.25754	5.3
343.21094	0.8
397.24567	0.7
453.85309	0.5
492.35074	0.6
517.40497	0.7
609.45074	4.1
969.62445	2.0
986.66974	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	986.604
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03124	0.6
69.03424	8.1
69.07060	23.0
69.91390	3.6
71.01349	0.6
71.04992	4.2
71.08609	0.8
73.02886	2.2
76.39537	0.6
77.03910	1.4
79.05486	55.2
79.41463	0.6
80.05806	0.9
81.03414	10.4
81.07048	76.9
83.04974	7.0
83.08604	11.3
85.02890	11.1
85.06519	3.7
86.75987	0.6
91.03939	4.5
91.05470	44.3
93.07032	66.7
95.04955	10.5
95.08597	50.0
97.02879	7.1
97.06514	11.4
97.10159	7.4
99.04436	2.5
99.08077	3.0
103.05453	1.2
105.04533	1.3
105.07021	34.6
107.04937	5.1
107.08581	39.0
109.02854	2.4
109.06503	4.1
109.10141	24.5
111.04381	0.9
111.08064	4.1
113.05959	0.7
113.09633	1.1
115.05449	2.4
117.07005	17.8
119.08567	25.5
119.86156	0.7
121.06474	3.8
121.10125	27.7
123.08070	2.6
123.11707	6.0
125.09615	4.7
127.03902	5.4
128.06206	0.7
129.05469	1.6
129.06982	5.2
130.07703	0.7
131.08551	22.4
132.08861	0.7
133.06487	1.8
133.10117	22.2
135.08069	3.2
135.11679	17.6
137.09587	3.6
137.13229	1.7
139.11143	1.0
141.06967	2.1
142.07762	0.9
143.08568	4.8
145.04941	2.1
145.06458	1.4
145.10103	17.2
147.07988	1.2
147.11676	12.9
149.09595	7.5
149.13242	11.2
151.11156	1.8
155.08496	2.0
157.10069	4.5
159.08047	1.1
159.11668	14.5
161.09602	1.4
161.13249	7.4
163.06013	0.9
163.11189	5.3
163.14792	3.4
165.12735	1.8
169.10017	3.1
171.11673	5.3
173.04530	3.8
173.11748	1.7
173.13239	8.6
175.11185	1.2
175.14815	2.4
177.12730	3.6
179.14268	1.9
181.12187	0.8
183.11662	1.9
185.09589	0.8
185.13275	3.3
187.11221	1.5
187.14790	2.7
189.11194	2.5
189.16438	1.1
191.14320	0.7
195.11722	1.0
195.13770	3.2
197.13239	2.2
199.14784	2.7
201.12567	0.8
201.16353	2.4
203.14264	0.9
205.15974	0.8
207.11629	0.9
211.14645	0.8
217.15904	1.2
219.17430	1.6
225.16280	0.9
227.12746	7.7
229.14331	6.1
229.19449	1.5
239.17976	2.6
241.19475	1.8
243.20998	3.7
253.14087	1.0
255.15819	4.5
257.18985	6.5
259.20520	3.6
261.22128	10.9
263.20151	0.7
264.43304	0.6
267.15872	1.3
269.17426	14.9
273.18228	0.7
275.20026	22.2
277.21625	1.9
291.19373	1.4
293.20984	3.1
309.20514	3.9
315.17374	0.8
315.23206	0.9
317.24701	2.4
331.22647	2.5
333.24194	2.7
335.25760	100.0
336.26172	2.1
349.23709	25.0
351.25320	1.3
367.24728	2.8
413.21674	1.5
437.34195	1.5
473.36212	0.8
489.35641	5.9
505.34845	1.4
508.37286	0.7
511.37808	1.1
513.39410	1.5
515.37341	12.5
516.37616	0.8
517.40308	0.9
529.38843	50.1
530.39099	2.0
535.41101	0.9
543.40271	1.4
547.39917	0.8
555.41382	0.7
569.41913	18.2
591.43695	1.1
609.45062	39.4
610.45148	1.3
627.46094	10.8
673.42596	2.1
753.50031	0.7
771.49969	1.5
986.53186	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6029
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03415	2.2
69.07059	13.3
71.04980	2.5
71.08622	20.8
71.59593	1.4
73.02902	4.3
73.06541	2.9
77.03891	0.9
79.05485	32.6
79.38420	0.9
81.03387	2.4
81.06571	1.8
81.07051	32.5
81.65430	0.9
83.04973	2.5
83.08612	6.8
84.05173	0.9
85.02897	8.7
85.06522	1.9
85.10169	11.5
87.04465	23.7
89.06021	58.1
91.03969	6.6
91.05469	45.7
93.07034	39.4
95.04959	8.6
95.08598	30.5
95.09116	0.7
97.02857	5.0
97.06530	3.3
97.10155	3.5
103.05451	2.5
105.04556	1.0
105.07021	37.9
107.04962	4.5
107.07033	3.0
107.08580	22.6
109.06497	3.0
109.10136	11.1
111.08026	1.9
113.05964	1.0
115.05430	3.3
116.06223	1.4
117.07000	21.8
117.09152	2.8
119.04915	1.4
119.07787	1.6
119.08570	27.1
121.06489	10.0
121.10133	14.0
123.08074	2.2
123.11668	4.0
125.09602	2.2
127.03873	2.5
128.06212	3.2
129.06989	13.9
130.07736	1.5
130.08615	2.4
131.07066	8.6
131.08556	24.0
133.08583	40.3
133.10110	17.8
135.08018	4.6
135.11688	8.7
139.11108	1.0
141.06972	4.6
142.07758	2.2
143.08551	16.2
145.04924	2.7
145.06357	0.9
145.10107	21.4
147.08025	5.7
147.11682	13.0
149.09593	5.2
149.13249	5.5
150.06641	1.3
153.07005	1.4
154.07753	1.1
155.08545	9.3
156.09285	1.2
157.10112	14.8
158.10728	1.0
159.11674	14.4
161.09605	1.5
161.11971	1.3
161.13174	6.3
163.06006	3.9
163.11140	2.2
163.14827	1.5
164.08356	1.6
165.06947	1.3
165.09097	2.7
167.08551	5.8
168.09326	1.2
169.10097	11.1
171.11659	13.8
173.09628	2.2
173.13243	10.7
175.09637	5.7
175.11078	1.9
175.14790	3.7
177.11226	13.4
177.12685	2.0
179.08513	1.8
181.10144	5.4
182.10767	0.9
183.11693	12.3
185.13235	7.6
187.14763	4.7
189.12672	1.1
189.16307	1.6
191.10674	2.3
193.10089	2.4
195.11769	5.1
196.12289	1.5
197.13196	8.9
199.13194	1.5
199.14789	5.5
201.16391	2.5
207.11671	2.9
209.13293	5.7
211.11331	1.1
211.13095	1.7
211.14905	5.6
213.12816	1.0
213.16356	3.5
215.17992	1.3
217.12195	1.0
219.12102	1.6
219.17429	1.1
221.13499	2.7
223.14806	3.6
225.16379	2.4
227.16318	1.4
235.14870	1.9
237.16287	2.3
239.14468	1.3
239.17938	3.5
241.19612	2.4
247.20564	9.4
249.16408	1.1
251.17932	1.6
253.19421	1.7
257.18964	3.3
259.20541	4.9
261.22159	1.6
271.20288	1.3
273.22189	3.3
289.25180	1.4
291.23206	16.3
299.23630	1.7
309.22095	1.3
317.24557	1.5
323.23599	1.3
325.21536	1.3
333.24088	5.8
335.25775	4.4
337.25012	1.5
339.23053	1.4
351.26685	2.9
377.28271	1.3
379.30142	1.4
409.30972	1.0
419.28949	1.4
421.30475	1.2
433.30399	1.3
447.31894	2.7
481.01077	1.1
487.34140	1.4
499.39569	1.3
501.35397	1.8
513.35498	1.2
517.40375	10.6
535.41418	7.1
539.37128	2.2
540.37750	1.3
591.44153	11.2
609.45062	100.0
610.45154	5.3
633.44763	1.4
651.45337	1.3
717.46442	1.5
735.48730	1.8
753.48596	3.0
771.50421	7.9
986.64410	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	986.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06578	0.9
70.56029	1.0
70.56396	0.8
73.01135	1.1
76.02222	5.1
76.04006	3.0
79.05492	0.5
81.07049	1.1
83.06102	1.9
83.08611	40.3
83.90501	0.5
84.04498	15.1
85.01138	0.5
86.99041	9.2
88.02206	3.2
88.45672	0.4
90.22905	0.4
98.97578	0.5
99.02675	0.6
99.05575	1.8
101.09649	3.6
105.00079	1.1
107.04935	2.0
107.08607	0.8
108.01222	0.4
115.05775	1.4
116.01666	55.9
129.06583	5.2
129.07378	1.0
130.04999	4.8
133.63771	0.5
141.07330	1.0
142.03210	3.3
144.01132	30.8
145.06084	1.5
153.06604	0.9
159.08379	31.8
162.02188	100.0
163.02472	0.6
170.02695	2.0
176.11034	2.7
177.00659	0.5
179.04823	0.8
187.08015	0.6
199.07220	0.8
205.08963	1.6
234.99052	0.5
244.10008	0.8
262.11060	45.2
263.11386	0.6
265.95633	0.4
274.10141	0.7
279.13715	54.5
280.14166	0.8
333.14774	16.0
345.14658	0.6
368.72830	0.4
390.16946	1.5
391.15137	0.8
408.17944	65.5
409.18463	1.0
422.00336	0.4
531.26208	0.5
645.33307	0.5
931.97644	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5892
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03414	5.9
69.07068	22.3
69.26692	6.9
69.27117	15.7
79.05492	32.9
81.03419	3.3
81.07055	38.3
83.04991	4.6
83.08607	9.0
85.02892	3.0
91.03945	2.4
91.05468	24.7
91.62507	2.0
93.07027	31.6
95.04944	9.5
95.08593	25.3
97.02874	8.6
97.06546	3.9
97.10165	9.2
98.20716	4.1
105.07018	22.1
107.04965	3.4
107.08574	19.1
109.06493	3.0
109.10163	14.8
111.08076	2.6
117.06998	6.3
119.08571	14.0
121.06472	4.1
121.10161	11.0
123.08105	2.8
123.11696	3.2
125.09630	5.8
129.06972	2.4
131.08574	10.2
133.06467	2.2
133.10114	6.8
135.08040	2.3
135.11664	7.9
137.09589	2.7
139.34483	2.1
143.08511	3.4
145.10129	5.9
147.07985	3.8
147.11670	4.3
149.13298	2.9
151.10959	1.8
157.10161	4.5
159.11676	4.3
161.13263	2.3
218.09052	1.9
223.13277	17.1
224.21446	1.6
227.12906	4.1
261.22174	7.3
273.18433	11.1
291.19522	79.8
317.24628	2.0
335.25784	74.8
365.23160	42.6
477.94012	2.0
545.37750	2.8
607.43018	5.1
625.44598	100.0
626.44489	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	985.549
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07077	0.1
70.06570	0.1
71.59090	0.2
75.75554	0.1
79.05482	0.2
80.34705	0.1
83.01096	2.2
83.08612	0.2
89.06033	0.6
91.05466	0.2
93.07050	0.2
95.04767	0.1
97.02676	0.5
105.07020	1.0
106.07387	0.3
107.04971	0.1
107.08569	0.1
110.03404	0.3
111.04194	6.3
112.04994	0.2
112.10738	0.1
113.05800	0.2
119.08610	0.2
125.05756	0.4
127.03661	4.1
129.05299	0.2
134.67009	0.1
139.07292	1.5
141.05211	1.6
144.03909	0.2
147.08061	0.3
155.06767	5.9
156.07501	0.2
169.08359	1.1
171.06271	4.3
172.07104	0.5
183.09912	1.8
185.07845	2.0
188.06590	0.5
199.09399	6.3
201.07343	0.3
202.08186	0.5
213.10957	0.9
215.08896	2.7
216.09634	0.8
218.07695	0.2
227.12502	1.7
229.10530	0.8
231.08499	0.2
232.09129	0.6
243.12025	4.6
245.10019	0.3
246.10760	0.7
257.13644	1.1
259.11517	1.4
262.10239	0.3
271.15118	3.9
273.13010	0.7
275.94232	0.2
276.11868	0.1
287.14612	5.2
298.01120	0.1
301.16220	0.8
303.14084	1.6
303.17310	0.2
311.25937	0.2
315.17728	1.6
317.15805	0.3
331.17206	3.5
331.20853	0.2
347.16763	1.5
359.20535	0.7
375.19867	4.5
376.20480	0.2
390.22360	0.2
391.19333	1.9
403.23138	0.4
419.22476	2.1
430.37183	0.1
435.21906	1.7
447.25931	0.2
463.25143	4.4
464.25461	0.2
479.24564	2.4
480.25034	0.2
507.27850	1.2
523.27216	2.2
523.34393	0.2
551.30298	4.1
567.29852	2.7
591.17346	0.1
595.32794	0.9
611.32330	1.9
639.35590	3.2
640.35760	0.2
655.34955	2.5
683.38336	1.0
721.10858	0.2
789.42108	0.2
861.44745	0.2
985.54840	100.0
986.55194	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	983.5366
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07053	3.0
70.06593	4.5
71.08615	1.1
71.59742	1.4
72.08140	2.1
79.05482	12.0
81.07050	12.6
83.48285	1.1
85.06563	1.8
86.09698	3.4
91.05471	16.6
93.07040	13.9
95.04955	1.3
95.08618	7.7
97.10176	1.2
98.06057	1.4
98.98467	7.4
105.07031	16.3
107.08593	6.5
109.10109	2.8
117.07001	6.2
119.08596	16.3
119.32853	1.1
121.10135	4.8
124.01596	1.4
129.05473	4.8
129.06976	4.4
131.08562	7.5
133.10167	7.1
135.11682	1.4
135.41887	1.2
143.08578	4.4
145.10094	6.5
147.11696	5.3
149.13266	2.2
155.01050	1.9
157.10095	4.6
157.61108	1.2
159.11694	3.5
161.13254	10.8
162.00423	1.5
163.14833	2.4
168.32814	1.3
171.11656	6.6
173.02118	3.7
173.13261	1.5
175.14784	8.3
184.07391	1.3
185.13263	2.6
187.14738	1.2
189.12871	1.6
196.10951	1.7
198.05247	4.7
199.14856	2.2
215.17992	1.9
216.06346	4.1
217.19540	4.7
231.21147	1.7
241.19485	19.6
243.21152	4.6
259.20578	27.9
263.44476	1.1
277.46274	1.2
300.94980	1.2
302.24869	9.1
315.23178	1.4
333.24219	64.9
333.56271	1.7
413.20868	27.0
429.20685	1.1
431.21875	12.1
456.25061	23.6
474.26169	100.0
590.82654	1.5
593.21082	1.3
685.40021	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06711	0.2
69.07063	4.4
70.06603	1.6
71.04998	0.3
71.08618	0.6
71.59076	0.3
72.08138	0.4
73.02898	1.1
76.63789	0.2
79.05494	13.4
81.03400	0.6
81.07056	13.9
83.04961	0.6
83.08630	1.5
84.08120	0.6
85.06548	0.9
85.10184	0.4
86.09711	1.4
88.04020	0.2
91.05478	17.3
93.07039	18.4
94.04163	0.5
95.04962	2.5
95.08604	11.1
97.06515	1.1
97.10133	0.5
98.98443	0.8
99.08050	0.3
103.03919	1.1
103.05462	0.4
104.36633	0.3
105.07030	12.2
105.84629	0.2
107.04955	1.0
107.08592	6.5
109.06508	0.8
109.10163	2.2
111.08070	0.5
113.09641	0.5
115.05476	0.3
117.07006	4.5
119.08582	11.7
120.08096	0.3
121.06467	0.8
121.10145	4.1
122.07254	0.5
123.08047	1.1
123.11683	1.1
124.01576	0.5
128.06241	0.6
129.05476	5.7
129.06966	3.6
131.08548	4.7
133.06575	0.3
133.10121	6.6
135.08061	0.7
135.11688	2.7
137.09628	0.5
137.13226	0.6
139.07642	0.3
139.11176	0.3
142.02583	0.3
142.07774	0.4
143.08556	2.5
145.10120	2.8
147.08026	0.3
147.11694	3.8
149.09619	0.5
149.13237	1.9
151.11143	0.3
155.06964	0.9
157.10123	4.0
159.11690	2.0
161.09612	0.9
161.13251	8.0
163.14830	2.8
169.08653	0.5
169.10059	0.4
170.10886	0.2
171.11674	8.0
172.11983	0.3
173.13264	1.7
175.11163	0.7
175.14827	2.9
177.12801	0.4
177.16402	0.3
183.10146	0.5
185.13217	3.1
187.14833	0.6
189.12709	0.5
195.10144	1.1
196.10933	5.0
197.11722	0.7
198.05231	0.6
199.14789	0.7
201.16409	0.3
210.12564	0.5
213.16422	0.3
215.17972	1.1
216.06308	1.5
217.19470	2.7
217.31728	0.3
222.12468	0.5
231.20972	1.5
241.19501	19.6
243.21101	9.4
253.25317	0.3
259.18112	0.2
259.20566	5.6
281.12537	0.3
302.24881	1.7
315.23157	0.8
333.24225	100.0
334.24518	2.1
413.21100	0.4
431.21951	0.7
441.67389	0.3
456.25122	1.1
465.60300	0.3
474.26144	19.4
475.26468	0.4
775.55072	0.3
870.84808	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5361
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03411	0.2
69.06724	0.4
69.07066	4.7
70.06588	0.7
71.04971	0.5
71.08612	0.9
72.08150	0.3
73.02910	1.4
73.22884	0.2
75.04455	0.2
77.03899	0.2
79.05490	13.8
81.03396	0.3
81.07055	14.0
83.04958	0.7
83.08603	1.6
84.08125	0.2
85.06513	0.8
85.10162	0.6
86.09688	0.7
86.93976	0.2
91.05476	16.8
93.07039	18.9
94.04195	0.5
94.07851	0.2
95.04969	2.3
95.08602	11.6
97.06514	1.2
97.10160	0.8
98.06026	0.2
98.20623	0.3
98.98472	1.0
99.08083	0.7
103.03947	1.2
103.05442	0.5
105.07028	14.5
107.04935	1.0
107.08592	6.3
109.06515	0.9
109.10155	2.4
111.08070	0.9
113.05982	0.2
113.09621	0.4
117.07018	4.0
119.08577	10.2
121.06538	1.1
121.10146	4.5
122.07287	0.6
123.08093	1.4
123.11676	1.2
124.01601	0.4
125.09679	0.2
127.07683	0.2
128.06192	0.5
129.05487	7.0
129.06970	4.3
130.07820	0.4
131.08559	5.0
133.06483	0.2
133.10126	6.5
135.08034	0.7
135.11661	2.8
137.09599	0.6
137.13277	0.3
139.07530	0.3
139.11179	0.4
140.08394	0.2
142.07733	0.3
143.08557	2.3
145.10114	3.8
147.08044	0.7
147.11684	4.5
149.09610	0.7
149.13257	2.0
151.11086	0.2
155.07008	0.7
155.08463	0.3
156.09341	0.2
157.10109	3.2
159.11674	2.4
161.09598	0.6
161.13254	8.4
163.11134	0.5
163.14798	3.1
169.08548	0.5
169.10010	0.3
171.11684	7.9
173.13277	1.7
175.11195	0.7
175.14830	3.5
177.12762	0.3
182.09465	0.3
183.10208	0.2
184.07291	0.3
185.13255	3.8
187.14812	0.7
189.12697	0.6
189.16376	0.4
195.10136	1.0
196.10938	4.8
197.11713	0.4
198.05238	0.9
199.13229	0.2
199.14833	1.1
210.12392	0.3
213.16483	0.5
215.10675	0.3
215.17934	1.4
216.06290	1.3
217.19514	2.5
221.11749	0.3
222.12521	0.6
223.66200	0.2
231.21072	1.5
234.74341	0.2
241.19504	17.4
243.21077	8.4
243.23615	0.3
259.20569	5.7
277.21719	0.2
297.22284	0.3
302.24750	1.6
304.45370	0.2
310.10406	0.2
315.23227	0.6
333.24216	100.0
334.24600	1.7
363.53357	0.2
413.20801	0.9
431.21964	0.6
456.24808	1.3
474.26157	20.9
475.26471	0.3
901.02808	0.2
990.54730	0.2
990.75732	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	982.5409
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07076	4.5
69.94679	5.1
79.05492	11.0
80.81153	0.7
81.07058	16.6
82.21906	0.8
83.08597	1.4
91.05484	7.3
93.07047	14.9
95.04956	1.3
95.08606	13.9
97.10181	0.9
98.06062	1.4
98.98466	7.3
105.07032	6.0
107.08596	8.5
109.10143	5.1
109.28034	0.8
117.07011	1.6
119.08583	5.2
121.10123	6.3
123.11694	2.4
124.01557	1.8
131.08585	2.7
133.10124	2.8
135.11702	4.2
142.02629	1.5
143.73108	0.8
145.10112	2.1
147.11668	2.6
149.13283	1.4
155.01038	2.7
159.11668	1.9
161.13263	1.5
173.02141	2.0
184.07353	1.5
198.05315	1.6
216.06300	3.6
243.21132	2.2
261.22192	6.3
290.67480	0.8
304.26358	8.8
335.25793	100.0
336.25922	1.3
415.22339	3.2
458.20575	1.6
458.26682	27.5
476.27716	31.2
800.93793	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	23.5
69.07063	6.0
71.01316	2.3
71.04987	5.6
71.59861	1.3
73.02913	16.8
75.04474	2.5
79.05499	16.3
80.00690	1.4
81.03419	20.5
81.07061	25.3
83.04984	4.1
83.08608	3.5
85.02901	100.0
91.03951	55.8
91.04527	2.5
91.05465	12.7
93.07043	18.9
95.04969	4.5
95.08606	18.0
96.67120	1.4
97.02888	77.3
99.04462	13.8
99.08771	1.3
101.02385	4.5
103.03952	10.5
105.07014	9.2
107.08596	12.6
109.02874	10.7
109.10149	9.4
111.04412	2.4
115.03920	6.1
117.05495	2.7
117.07026	5.0
119.08531	7.8
121.10119	11.7
123.11691	4.5
127.03913	39.5
128.06209	1.8
129.05481	4.2
129.06963	1.7
131.08591	8.6
133.10114	7.2
133.98466	1.6
135.11702	9.0
137.13235	2.3
143.08566	1.6
145.04951	37.9
145.10118	8.8
147.11678	5.3
149.13263	4.4
157.10060	2.7
159.06577	1.8
159.11659	6.9
161.13199	4.2
163.06007	41.8
163.14816	1.9
171.06448	1.6
171.11673	2.9
173.09689	1.5
173.13271	4.0
175.14825	1.5
181.10056	1.4
183.06541	7.6
185.13173	2.2
187.14767	2.1
201.07550	6.1
212.14351	1.4
239.86366	1.8
243.21146	4.2
259.20419	1.7
261.22128	15.9
303.23254	2.4
315.23151	4.0
327.23169	2.4
335.22000	3.0
335.25778	41.4
347.78452	1.5
351.23129	4.5
353.27014	2.1
363.25360	3.7
369.24197	6.6
377.26886	4.2
387.25284	3.2
405.26373	3.0
419.27692	2.8
442.98740	1.5
443.28006	7.1
461.28961	6.3
479.30096	13.5
497.30917	5.1
651.00446	1.5
760.36353	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	982.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07064	5.5
69.52432	4.0
71.04979	0.5
71.79155	0.5
72.03598	0.5
79.05490	15.1
81.07056	16.6
83.08620	2.7
85.06539	1.0
85.10163	0.5
91.04907	0.6
91.05475	11.8
93.07039	21.2
95.04945	2.4
95.08604	12.6
97.06521	1.0
97.10155	1.0
98.06030	2.0
98.98459	7.7
99.08066	1.1
105.07021	4.3
107.08588	9.9
109.10165	4.7
111.08082	1.2
112.27287	0.6
117.06996	1.7
119.08562	3.9
121.10133	7.7
123.08070	0.7
123.11679	1.9
124.01595	2.2
125.09695	0.5
129.06958	0.6
131.08569	4.0
133.10146	2.8
135.08101	0.7
135.11697	2.7
137.09579	1.0
137.13234	0.6
142.02634	1.8
145.10103	3.0
147.11688	2.2
149.09615	1.2
149.13252	1.9
151.14873	0.7
155.01013	2.3
159.11719	2.3
161.13245	1.8
163.11191	0.5
163.14810	4.6
173.02087	2.9
173.13261	1.8
175.14833	0.8
177.16415	0.7
182.75899	0.6
187.14798	0.7
197.11212	0.6
198.05258	2.2
216.06259	4.8
233.22585	0.6
243.21062	6.2
245.22650	0.9
261.22110	7.5
284.98041	0.6
301.58847	0.5
304.26300	7.9
335.25784	100.0
336.13464	0.5
336.26163	1.1
381.42737	0.5
389.47104	0.5
415.22516	4.3
433.23514	0.9
455.02844	0.6
458.26657	33.4
472.49927	0.6
476.27707	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.5931
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	0.2
69.93909	0.1
71.04987	0.2
73.02907	1.2
73.06547	1.4
74.09704	0.1
77.03899	0.5
79.05482	5.3
81.03418	0.2
82.02642	0.1
87.04457	9.3
89.06019	36.5
90.06341	0.1
91.05466	4.5
91.07601	0.2
93.07039	0.8
94.39956	0.1
95.04958	2.8
98.21578	0.2
102.04703	0.1
103.05458	5.5
105.07016	100.0
106.07372	1.0
107.04952	0.4
107.07051	1.7
113.06036	0.6
115.05437	0.3
115.07568	0.3
116.06221	0.4
117.06979	0.7
117.09118	1.6
119.04915	0.6
119.08553	1.1
121.06489	5.5
128.06210	0.3
129.06981	1.5
130.08617	1.5
131.06009	0.1
131.07043	2.9
131.08545	5.8
133.08583	25.6
133.10193	0.7
134.08885	0.2
135.08037	0.3
135.10170	0.4
145.06451	0.5
147.08028	5.0
149.09584	1.7
151.09633	0.5
155.08548	0.2
155.19157	0.1
157.08611	0.2
159.10161	0.3
161.11674	0.5
163.07542	0.3
163.11169	0.2
165.06985	0.6
165.09003	0.7
166.07770	0.4
167.08519	0.2
169.10114	0.6
173.09608	0.3
175.09657	2.0
175.11058	0.2
177.11200	9.2
178.07874	0.1
179.08514	0.4
179.12741	0.2
181.06516	0.1
181.10130	0.2
183.10133	0.2
191.10597	0.6
192.09331	0.4
193.10686	0.1
193.12277	0.3
195.08005	0.1
196.08871	0.2
197.09544	0.2
203.12741	0.1
207.11827	0.2
208.08868	0.3
209.11670	0.5
209.13371	0.2
210.10324	0.1
211.13336	0.3
219.12234	0.6
221.13811	1.3
222.10341	0.1
223.11134	1.8
223.15385	0.3
225.12709	14.9
226.13054	0.3
227.12703	0.4
230.12634	0.2
235.13052	0.2
239.14757	0.6
249.12762	0.7
251.14302	3.0
252.14738	0.1
253.15863	0.4
255.15816	0.4
265.16327	0.2
267.13828	0.8
267.17770	0.2
269.12375	0.1
269.15326	2.8
271.15430	0.3
277.15631	0.1
279.15817	0.1
283.17401	0.8
295.16830	0.9
297.18604	0.2
299.18497	0.4
301.15756	0.1
309.18912	0.2
311.16327	0.6
313.17963	1.1
315.17972	0.2
327.17114	1.2
327.19833	0.2
329.18954	1.3
339.19479	0.3
341.19830	0.1
353.21579	0.2
355.19260	0.2
357.20624	0.4
371.19736	0.1
373.21579	8.4
374.21875	0.3
397.24240	0.2
401.23242	0.3
417.24136	0.4
461.26730	0.2
505.29391	0.1
791.98065	0.2
831.52094	0.1
859.50159	0.3
963.55853	0.3
980.58997	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.5932
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	0.3
71.04988	0.6
71.49499	0.3
71.49825	0.3
73.02911	2.0
73.06557	2.7
77.03924	0.9
79.05486	8.0
87.04461	13.7
89.06022	59.0
91.05471	14.8
91.07592	0.4
93.07050	1.9
95.04961	4.3
103.04777	0.4
103.05458	8.6
105.07020	100.0
106.07351	0.9
107.04945	2.6
107.07050	2.1
113.05985	0.8
115.05442	0.8
115.07571	0.6
116.06234	0.8
117.07011	3.3
117.09126	2.5
119.04929	1.4
119.07932	0.1
119.08565	6.6
121.06493	11.5
121.93446	0.2
124.62943	0.2
128.06212	2.0
129.06995	4.6
130.08583	1.1
131.04912	0.3
131.07054	4.3
131.08551	10.9
132.05685	1.6
133.06468	0.9
133.08591	39.5
133.10182	1.6
135.08061	0.7
135.10130	0.4
143.08533	0.3
145.06476	1.6
147.08031	49.9
148.08359	0.3
149.05971	0.2
149.09608	10.2
151.19733	0.2
155.08444	0.2
157.08665	0.3
157.10081	0.4
159.10164	0.5
161.11719	0.6
163.07516	0.3
163.11137	0.5
165.06996	0.5
165.09148	0.8
166.07762	0.9
173.09660	1.4
175.09679	3.4
175.11147	0.6
177.11206	13.6
177.94150	0.3
179.08533	0.6
179.12791	0.2
179.93127	0.2
181.10115	2.0
191.09064	0.2
191.10666	1.1
192.09271	0.5
193.10249	0.3
193.12271	0.3
207.08185	0.3
207.09993	0.3
207.11732	0.4
208.08795	0.6
209.09688	0.2
209.11554	0.3
209.13310	0.3
219.12190	0.7
221.09583	0.3
221.13789	2.1
222.10289	0.3
223.11172	2.6
223.15190	0.2
225.12714	26.6
226.13051	0.5
227.12741	0.6
235.15033	0.3
236.12039	0.2
237.12772	0.4
239.14879	0.5
249.12744	4.7
250.13158	0.2
251.14317	3.6
255.16034	0.4
263.14560	0.2
265.16269	0.2
267.13770	0.7
269.15329	2.1
271.15375	0.5
277.15836	0.3
283.17419	0.8
295.16977	0.4
297.17007	0.2
309.19052	0.4
311.16483	1.4
311.19827	0.3
313.17957	1.3
315.17978	0.2
327.17017	1.1
329.18924	0.9
355.19977	0.3
373.21613	6.7
374.22040	0.2
415.22607	0.3
416.24301	0.2
417.23981	0.3
740.57642	0.3
963.55298	0.8
980.59961	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.5767
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03408	0.3
70.63978	0.1
71.04971	0.2
73.02907	0.7
73.06548	1.8
77.03905	0.5
79.05481	5.4
87.04456	7.8
89.06018	35.1
91.05466	3.5
93.07042	0.5
95.04955	2.6
96.27816	0.1
98.20692	0.2
103.05457	5.3
105.07014	100.0
106.07343	1.3
107.04976	0.2
107.07053	1.4
113.06011	0.3
115.05431	0.4
115.07600	0.2
116.06206	0.4
117.06973	0.6
117.09118	1.4
119.04910	0.3
119.08540	0.5
121.06490	3.0
122.43964	0.1
128.06198	0.3
129.06985	1.3
130.08588	0.7
131.07063	1.8
131.08542	6.7
132.08923	0.2
133.06461	0.4
133.08583	20.9
133.10164	0.7
134.08887	0.3
135.07957	0.1
135.10091	0.1
141.06992	0.1
143.08620	0.1
145.06448	0.5
145.10088	0.1
147.06908	0.2
147.08023	2.7
149.09586	0.9
151.09605	0.1
155.08507	0.2
157.08675	0.1
161.11716	0.3
163.07561	0.1
165.06972	0.4
165.09041	0.6
166.07732	0.4
167.08527	0.2
168.26596	0.1
169.10094	0.2
173.09558	0.5
175.09656	1.3
175.11099	0.1
177.11203	5.7
178.07817	0.2
179.08438	0.2
181.10204	0.5
191.08470	0.1
191.10570	0.3
192.09312	0.3
193.10269	0.1
193.12183	0.2
195.08017	0.1
195.11890	0.1
207.07971	0.1
207.11732	0.3
209.09665	0.1
209.11591	0.3
209.13330	0.2
211.13147	0.2
218.10753	0.1
219.12186	0.2
221.09610	0.2
221.13795	0.7
222.10371	0.2
223.11142	0.9
225.12706	6.0
226.13007	0.1
227.12694	0.4
229.67188	0.1
235.14775	0.3
237.12778	0.1
239.14665	0.3
249.12715	0.5
251.14278	12.7
252.14554	0.4
253.15874	2.8
267.13739	0.5
267.17380	0.2
269.15353	1.2
271.15271	0.2
283.17474	0.1
295.16800	0.5
297.18192	0.1
311.16373	0.5
313.17899	0.6
315.17761	0.2
327.17361	1.6
329.18948	9.2
330.19232	0.3
353.18793	0.4
355.20233	0.4
371.19836	0.6
373.21558	2.7
400.03796	0.1
401.23154	0.2
419.23956	0.2
425.30276	0.1
477.27780	1.9
478.27603	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	978.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28907	7.5
70.06585	2.2
73.72986	0.8
76.02229	79.9
76.03998	2.2
76.80436	0.8
79.05482	1.5
81.72588	0.9
84.04509	11.4
86.99052	2.7
95.05002	2.6
98.20696	1.5
107.04957	100.0
108.05286	1.9
116.01679	17.6
116.02489	1.1
130.04990	11.5
142.03218	7.3
142.48065	0.8
144.01149	12.6
162.02206	46.3
163.02480	0.8
170.02731	2.5
179.04857	90.1
182.06345	4.6
187.05275	1.1
187.78268	0.8
195.80757	1.0
208.27861	0.9
215.04863	1.8
233.05925	14.5
245.05930	3.9
268.06393	2.1
285.09042	29.7
291.06467	2.0
302.45819	0.9
308.09106	33.1
339.09933	4.2
410.99323	0.9
414.13297	49.0
415.13644	1.6
440.97919	0.9
676.30585	1.1
701.96802	1.0
730.74121	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.5768
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03425	0.2
70.73923	0.4
71.04998	0.2
73.02913	0.6
73.06548	1.5
77.03911	0.5
79.05484	5.0
87.04459	8.5
89.06020	35.6
90.06351	0.2
91.05466	3.4
91.07626	0.1
93.07047	0.2
95.04964	2.4
103.05461	5.4
105.07018	100.0
106.07365	1.0
107.04960	0.3
107.07065	1.6
113.05978	0.4
115.05443	0.3
115.07561	0.2
116.06218	0.3
117.07012	0.5
117.09135	1.5
119.04927	0.2
119.08551	0.8
121.06487	2.8
128.06206	0.2
129.06987	1.2
130.08636	1.1
131.07056	2.3
131.08553	6.4
132.08871	0.1
133.08588	23.6
133.10188	0.7
134.08926	0.2
135.08017	0.1
135.10130	0.3
139.76895	0.1
141.06993	0.2
145.06453	0.4
145.10194	0.1
147.08029	2.5
149.09583	0.8
151.09610	0.1
155.08516	0.2
157.08662	0.2
157.10117	0.2
159.10123	0.2
161.11714	0.4
163.07448	0.1
165.06967	0.4
165.09090	0.5
166.07748	0.5
167.08467	0.1
169.10065	0.2
173.09590	0.5
175.09679	1.3
175.11147	0.2
176.86990	0.1
177.11208	6.8
179.08533	0.3
181.10092	0.6
183.10158	0.1
191.08487	0.1
191.10632	0.3
192.09358	0.2
193.12215	0.2
197.09647	0.1
203.08627	0.2
207.08127	0.1
207.11639	0.2
208.08755	0.2
208.35835	0.1
209.09966	0.1
209.11716	0.4
209.13289	0.3
211.13287	0.1
219.12265	0.3
221.09627	0.3
221.13797	0.8
223.11143	1.0
223.15182	0.1
225.12720	6.6
226.13101	0.2
227.12735	0.4
235.14755	0.3
237.12700	0.2
239.14684	0.3
249.12744	0.7
251.14288	12.3
252.14653	0.3
253.15927	3.1
255.15994	0.1
260.59229	0.1
265.16299	0.1
267.13763	0.5
267.17667	0.3
269.15363	1.3
271.15347	0.4
277.15863	0.2
279.15848	0.1
283.17557	0.3
295.16971	0.6
297.18835	0.1
301.15555	0.1
309.18936	0.1
311.16287	0.6
313.18207	0.6
315.17926	0.3
327.17361	2.0
327.20853	0.1
328.17688	0.2
329.18951	10.1
330.19180	0.2
339.19626	0.1
353.18723	0.5
355.20187	0.4
359.20587	0.2
371.20044	0.7
373.21588	2.8
374.21771	0.1
401.23099	0.1
403.23557	0.1
415.22430	0.1
417.24094	0.1
419.24271	0.1
445.25589	0.1
477.27744	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
67.73180	0.2
71.95271	0.3
74.97599	4.5
79.05466	0.6
84.96022	2.1
86.97608	0.8
92.98651	0.9
95.04950	1.3
95.05453	0.2
97.02872	0.2
97.96832	0.3
98.97571	13.1
107.04945	46.4
108.05261	0.4
110.97524	2.2
110.98177	0.2
112.99113	0.5
113.09512	0.2
114.96982	2.3
115.00668	0.6
116.98612	13.6
124.99175	0.2
128.98599	6.5
131.00169	1.4
132.98079	9.6
133.01697	1.1
134.99646	8.6
135.94550	0.2
140.00204	0.3
140.98605	0.8
143.00148	2.4
144.98053	0.5
145.01712	1.4
146.99637	6.5
149.01201	1.3
150.99129	45.4
152.98595	1.7
153.00623	1.0
158.01210	0.3
158.99635	4.9
161.01205	6.7
162.99146	1.5
163.00708	1.1
163.02756	2.3
165.00742	1.1
169.00192	26.0
170.99641	7.3
173.01213	0.6
174.00745	1.5
174.99100	3.2
176.99132	0.3
177.00693	6.8
178.98775	0.2
179.02260	2.1
181.00209	0.6
181.01692	5.4
181.03645	0.3
182.99574	0.5
186.99179	1.3
187.01190	0.5
187.02786	0.8
188.98961	0.5
189.00685	9.1
190.98590	4.6
191.00294	0.3
191.02248	1.7
192.01808	0.6
193.00195	26.1
195.01811	1.0
198.99123	0.5
199.02802	1.9
201.00627	5.5
201.03751	0.2
203.02264	0.4
205.00154	3.2
205.01904	0.4
205.03647	1.0
207.01787	1.6
208.99673	40.0
210.00012	0.2
210.99280	0.3
211.01224	6.1
216.01817	1.3
217.00168	4.5
219.01746	32.4
221.01318	0.7
221.03304	1.4
223.01190	1.3
223.03151	1.4
227.00693	8.5
229.00125	1.8
231.03593	0.2
232.01289	1.9
232.99648	0.7
233.03268	0.5
235.00992	2.2
237.02794	57.5
238.03316	0.2
239.02202	5.1
241.03828	0.5
242.03433	1.3
245.03415	0.2
247.01091	1.6
247.05008	0.3
249.02702	4.0
251.00574	1.6
251.05956	0.7
253.03951	0.4
255.03830	5.0
257.03339	2.6
259.01239	1.9
260.04407	1.8
263.04572	0.4
265.04074	0.3
267.03873	4.9
275.04407	0.5
277.02261	22.1
281.03171	1.2
289.05960	0.6
290.05566	0.4
291.03809	1.7
293.01834	0.7
293.05411	0.4
293.90463	0.2
294.04907	0.4
295.03339	53.0
296.03528	0.4
297.03088	0.4
307.04807	1.4
307.07266	1.1
309.05118	0.5
313.04291	2.0
318.04907	3.4
323.04263	0.4
325.05380	3.1
335.06442	2.0
337.05896	1.4
343.06995	0.5
349.07965	0.7
351.06039	0.9
353.04483	1.3
353.07437	1.5
355.06879	1.5
367.09045	0.5
383.06458	100.0
384.06747	1.1
395.10135	3.8
401.07492	2.3
410.48407	0.3
411.08044	10.0
411.85095	0.2
413.11154	1.0
424.09024	0.9
441.10690	36.5
442.10995	0.4
443.08859	0.7
459.07996	10.2
469.12332	4.9
482.13589	0.4
517.12250	38.4
518.12604	0.5
523.69788	0.2
523.94849	0.2
531.11700	0.3
575.16455	17.5
607.13275	1.0
727.17004	0.7
805.53741	0.2
977.29431	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.6402
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07057	0.5
69.54778	2.9
70.39321	0.4
71.07375	5.1
71.08623	1.9
71.10146	0.4
81.07046	1.1
83.08607	0.5
85.10176	1.2
86.09709	48.9
95.08601	0.9
98.98468	2.4
104.10746	93.6
105.11073	0.7
109.10154	0.7
125.00008	23.9
143.01071	0.5
163.01524	1.1
181.02550	0.5
184.07343	100.0
218.03552	0.4
258.11008	0.8
313.27444	2.7
351.04694	0.5
438.37692	0.5
440.65179	0.5
444.31439	0.4
478.32935	9.9
490.26199	0.4
496.33994	82.9
497.34390	1.9
522.35388	0.7
1002.93768	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	976.5462
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05000	2.2
69.03430	8.2
69.07062	10.5
70.06580	9.7
71.04987	4.6
71.21022	4.0
72.08152	1.7
73.02911	3.8
79.05486	40.3
79.05958	2.1
80.05003	7.0
81.03410	64.9
81.07049	55.1
82.06577	4.3
83.04986	6.1
83.08608	17.9
84.08151	1.9
84.30387	1.6
85.02892	18.3
85.06555	1.9
86.09742	2.3
87.04491	1.7
90.05556	22.1
91.03960	9.2
91.05471	40.5
92.05809	1.9
93.07036	44.7
94.06568	2.8
95.04961	29.8
95.06107	2.9
95.08595	37.9
97.02882	13.4
97.06530	3.5
97.10162	4.0
98.06049	3.8
99.04454	2.0
99.08102	1.8
105.07027	28.5
107.04942	9.0
107.08586	25.2
109.02854	1.8
109.06493	4.5
109.10143	16.7
111.04473	2.0
111.08078	5.6
115.05479	2.3
117.07027	8.0
119.08583	20.0
121.06510	4.6
121.10137	21.7
123.08022	3.8
123.11716	6.8
125.09647	2.2
126.89736	1.5
127.03971	3.9
129.06973	9.1
131.08546	15.4
133.06485	3.9
133.10161	12.2
135.08029	2.3
135.11708	12.2
137.09608	2.9
140.07037	2.0
142.07733	2.5
143.08556	3.0
144.06540	3.2
145.04945	5.4
145.10098	9.9
147.08144	2.3
147.11673	14.9
149.09561	10.5
149.13289	5.0
157.10130	9.7
159.11719	5.9
161.05974	1.8
161.13217	3.8
163.06064	2.6
163.11182	3.2
163.14786	3.8
164.14436	2.8
165.12746	3.0
167.10684	2.1
173.13225	5.7
175.11195	7.1
182.15408	4.0
184.13354	1.7
185.13129	2.3
187.14790	1.9
189.11234	1.6
192.13811	7.0
193.12224	24.3
208.16959	2.7
210.14867	81.3
210.18306	3.0
211.13271	3.6
211.15125	3.2
218.15407	1.9
227.12900	3.9
228.15910	24.2
236.16493	8.2
238.14366	3.6
243.21132	8.0
254.17487	14.0
261.22150	19.0
267.15884	97.4
268.16437	2.7
268.19049	1.9
280.26355	5.5
282.16949	4.9
284.18604	5.6
301.25247	3.3
302.19632	6.7
312.18048	4.2
317.24786	2.3
330.18945	3.8
335.25763	100.0
348.20395	2.8
356.20670	5.7
421.25983	2.2
435.32816	2.6
453.33578	4.9
471.34564	3.3
527.37238	63.2
545.38342	40.0
546.38123	2.2
562.41003	6.1
569.38208	4.6
572.39648	2.8
588.42261	5.1
590.40332	13.3
608.41522	43.0
616.41992	8.9
634.42938	36.2
770.44879	2.4
796.49091	10.1
958.55682	2.5
976.57739	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	974.7341
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05032	0.4
69.03430	0.1
69.07071	0.3
70.06583	11.2
71.04977	0.2
71.08622	1.1
72.08148	3.0
72.80560	0.1
73.02910	0.7
79.05505	0.1
81.03444	0.1
82.06599	0.2
83.08656	0.1
84.07624	0.2
84.08133	4.9
85.02901	0.1
85.10184	0.6
86.06049	0.1
86.09695	6.1
87.04446	0.5
88.07616	0.8
89.06021	4.3
91.05464	0.2
95.08605	0.2
96.08141	0.4
100.07635	0.4
102.09186	0.4
105.07031	0.2
107.08597	0.1
114.09155	5.3
116.10737	0.2
119.08633	0.2
121.06595	0.1
130.08655	0.2
130.12283	0.1
132.10249	0.3
133.08606	0.2
145.10052	0.1
158.11809	0.3
169.84967	0.1
176.12834	0.2
184.07237	0.1
202.14502	0.2
220.15546	0.1
229.24434	0.1
246.17210	0.2
264.18179	0.2
285.98865	0.1
296.33096	2.0
310.34879	0.4
322.34644	5.3
324.36200	7.1
338.34445	0.2
340.35706	1.4
352.23422	0.5
366.24982	0.3
366.37457	0.2
384.38245	1.0
396.25977	0.4
410.27246	0.3
410.40228	0.2
428.40869	1.0
440.28571	0.2
454.30527	0.2
472.43677	0.2
516.46216	1.9
560.48889	1.4
604.51416	6.2
648.54016	7.7
649.54425	0.2
692.56598	4.6
736.59686	0.8
780.61969	0.7
868.68268	0.3
974.73358	100.0
975.73376	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	973.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05498	1.3
91.05474	1.6
93.06982	1.0
104.54069	1.1
105.07011	1.2
202.81145	1.2
383.31232	1.2
413.07242	1.3
775.73730	1.2
973.50684	100.0
974.50909	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	974.6402
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05020	1.1
69.07067	5.0
69.98867	0.4
69.99282	0.4
71.08618	0.6
72.04503	0.5
73.02904	0.2
74.06065	0.2
79.05494	5.3
80.05013	1.1
81.03418	0.4
81.07059	7.4
82.06119	0.3
82.06581	3.9
83.04966	0.6
83.07333	0.3
83.08619	3.6
84.08131	0.5
85.02897	0.3
85.10161	0.4
86.06071	0.9
91.03963	0.2
91.05480	3.2
93.07040	4.3
94.06564	1.6
95.04962	1.0
95.07364	0.3
95.08607	6.9
96.08134	1.0
97.06512	0.7
97.10178	1.8
98.06025	0.9
100.07618	1.7
105.07032	2.1
107.08590	1.8
108.08107	0.6
109.06498	0.3
109.10150	2.6
110.09695	0.2
111.08080	0.2
111.11698	0.5
112.07593	0.7
114.09143	0.4
119.08584	1.8
120.08073	0.2
121.10139	2.2
122.09668	0.6
123.11729	0.7
127.03896	0.1
133.10124	1.6
135.11667	1.1
136.11179	0.2
137.13219	0.2
140.10635	0.2
145.05005	0.2
147.11697	0.6
149.13232	0.5
151.14778	0.3
154.12251	0.3
158.97691	0.1
161.13243	0.4
163.05972	0.3
168.50906	0.2
175.14845	0.2
179.04686	0.2
182.19028	0.2
191.17883	0.5
219.21080	0.2
223.55099	0.1
233.22531	0.2
234.22162	0.2
245.22612	1.1
250.25296	4.9
260.23962	0.3
262.25305	2.9
263.23682	1.1
280.26346	100.0
281.26666	1.9
298.27408	15.9
299.27664	0.2
719.35333	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	972.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05032	1.6
69.03424	16.5
69.07065	4.6
70.06590	14.9
71.01324	1.1
71.05005	6.0
71.59670	1.4
72.08167	1.4
73.02916	6.0
79.05486	20.4
80.05000	3.0
81.03412	70.8
81.07053	20.7
82.06565	3.0
83.04961	7.5
83.08614	14.9
83.82511	0.9
84.04494	8.3
84.08131	4.6
85.02895	23.4
85.06519	1.2
86.06062	55.0
86.09704	2.3
87.04459	28.5
87.05531	1.1
91.03951	9.7
91.05472	21.3
93.07036	17.2
94.06544	2.6
95.04964	23.1
95.08596	13.8
96.04514	1.6
96.08123	2.4
97.02880	15.1
97.06509	7.8
97.10170	2.4
98.06048	48.4
99.04454	2.3
100.07597	1.5
101.02397	1.8
102.05509	2.2
103.05458	1.4
104.07099	32.6
105.07021	13.0
107.04958	10.2
107.08559	8.8
108.08128	1.6
109.02882	1.7
109.06535	5.6
109.10155	3.9
110.06078	1.3
110.07141	1.7
110.09624	0.8
111.04432	3.4
111.08073	6.8
112.07590	15.8
114.05534	1.2
115.05471	1.6
116.07121	2.1
117.07012	3.2
119.08588	12.4
120.08111	2.5
121.06519	4.8
121.10133	15.3
122.06027	1.9
123.04455	1.0
123.08076	3.5
123.11695	2.2
124.07597	5.4
125.09618	3.0
126.05519	12.6
126.09112	1.8
127.03914	5.7
128.07016	1.1
129.07008	8.4
130.06480	2.3
131.08551	13.2
133.06459	2.3
133.10117	7.0
135.08002	2.1
135.11713	1.4
136.06136	2.4
136.07547	2.8
137.02257	1.0
137.05917	1.3
138.05521	1.1
138.09087	1.7
138.12755	2.6
139.11172	2.6
140.07036	3.8
142.07791	1.8
142.08653	4.5
145.04971	1.9
146.06023	1.2
147.08025	2.4
147.11656	8.4
148.03781	1.0
148.07576	3.2
149.09610	38.4
149.13240	1.7
150.09099	1.9
151.11201	2.6
154.08614	3.2
157.10118	9.4
158.08148	8.8
159.11681	1.5
162.09096	1.2
163.11147	1.8
164.10764	1.0
165.12717	3.9
166.08672	1.9
166.12256	4.3
167.10654	2.3
172.03928	7.1
173.04274	1.6
175.11156	12.1
177.12727	3.5
182.15390	2.7
184.13318	4.0
189.11169	1.2
192.13840	1.6
193.12234	29.5
195.13760	2.1
202.31854	1.0
204.06534	14.0
205.06847	3.7
206.15413	4.8
210.14883	9.8
211.13257	3.5
212.16486	1.3
223.13219	1.0
224.16475	5.9
225.14845	1.6
232.16814	1.0
234.14871	6.3
236.16415	1.6
237.14958	1.0
240.16013	1.3
249.14917	2.2
250.17979	4.4
252.15923	28.3
253.16394	1.2
260.16415	9.2
266.12439	1.4
266.17471	1.0
267.15897	86.7
268.16312	2.2
268.19092	3.6
270.16885	2.0
272.12695	1.7
278.17523	16.1
284.18677	1.1
288.18088	0.9
293.17453	1.6
296.18594	7.2
302.19754	1.7
314.19620	4.2
315.04984	13.3
316.05252	1.7
326.19550	3.1
344.20755	5.4
362.21722	6.1
367.22617	1.3
370.22156	6.5
385.23645	3.6
388.23306	8.4
403.24881	1.4
409.09161	17.4
410.09579	2.1
459.27399	36.6
460.27643	1.0
477.28378	18.0
491.30090	1.8
501.28040	1.7
509.30728	1.5
518.30005	1.1
536.32227	5.8
537.32349	1.1
543.22394	8.4
544.15833	1.2
544.22815	12.1
554.33209	38.9
562.33398	3.8
567.29193	2.8
580.34772	100.0
581.35327	5.3
586.35571	2.2
598.36316	1.8
612.37286	3.3
630.37109	1.2
716.38452	16.1
717.24341	5.0
717.36017	1.3
718.24554	2.1
724.38684	1.4
742.40027	66.8
743.40515	4.6
774.42957	6.6
792.42096	3.3
878.43048	3.5
886.43689	1.2
904.45239	87.4
905.45514	7.8
922.46521	1.9
936.30798	1.3
936.47943	19.1
937.48132	2.0
954.49146	12.5
972.50732	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	970.6094
Annotation	Unknow
Peak:m/z	Relative Intensity
67.68439	1.7
69.07074	10.5
69.81928	1.7
71.04969	2.0
73.02914	2.2
78.28461	2.2
79.05486	34.6
81.03393	2.1
81.07053	38.7
83.08596	5.3
85.02882	7.9
85.41135	1.6
87.04445	5.1
89.06012	17.5
91.03953	8.3
91.05475	36.3
93.07034	34.8
95.04953	7.7
95.08595	32.5
97.02863	4.6
97.06566	2.4
99.08109	2.0
103.05464	3.3
105.07026	100.0
106.07348	19.0
107.08588	21.8
109.10143	17.2
117.07018	11.9
119.08574	28.8
121.10127	17.8
123.08080	2.2
123.11714	3.8
127.03920	3.8
129.06995	6.7
131.07010	2.2
131.08562	20.0
132.08855	3.1
133.08618	11.6
133.10118	23.0
135.11694	13.4
136.30179	2.1
143.08556	7.7
145.04948	4.8
145.10120	18.0
147.11673	21.8
149.09618	2.6
149.13243	7.9
151.11244	2.1
157.10069	6.3
159.11676	12.2
161.13271	11.3
163.06009	6.0
163.14761	3.7
169.10065	2.5
171.11678	7.2
173.13156	11.0
175.14836	7.4
177.11244	4.1
183.11626	2.5
185.13258	6.0
187.14755	4.3
199.14787	4.6
209.13235	7.2
210.13573	5.6
213.16379	1.8
229.49228	2.2
231.21104	2.4
241.19539	11.2
243.21140	2.6
257.18951	6.3
259.20557	40.5
261.22083	5.7
275.20108	2.1
282.88818	1.8
333.24210	28.1
335.25766	44.4
336.26208	2.7
337.27258	2.4
519.41772	5.6
593.45404	7.2
611.46649	41.2
731.14966	2.5
970.56921	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	969.5674
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	3.6
69.06734	0.2
69.07070	3.2
70.04121	0.1
70.10179	0.8
71.05000	0.2
71.08633	13.3
72.49008	0.2
73.36314	0.2
75.04493	0.3
75.80620	0.1
76.01735	0.1
79.05482	0.3
81.07058	5.7
82.80338	0.1
83.08620	4.6
85.06510	0.2
85.10181	8.0
86.23470	0.2
89.06028	1.4
91.05503	0.2
93.07043	0.3
95.08607	8.5
97.06503	0.3
97.10168	2.4
98.20897	0.2
98.98465	4.9
99.11715	0.5
103.07588	1.2
107.08575	0.3
109.09472	0.3
109.10161	3.9
111.11716	0.5
113.13223	0.2
116.99451	0.3
117.09149	0.3
121.10125	0.4
123.11701	1.7
125.13316	0.3
135.11728	0.3
136.99916	0.2
137.13217	0.9
139.11176	0.2
149.13220	0.2
151.14841	0.2
155.01018	2.0
165.76471	0.2
173.02098	0.7
227.20049	0.4
228.20500	0.3
239.23735	1.4
247.05687	0.2
257.24802	1.4
298.27417	0.2
313.27359	100.0
314.27679	1.4
330.37683	0.2
392.11807	0.2
393.23929	0.5
449.26657	3.0
471.34238	0.2
668.89734	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.5677
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	3.3
69.06730	0.3
69.07068	3.3
71.04997	0.3
71.08633	13.0
75.04456	0.3
79.05488	0.6
81.07056	6.1
82.96155	0.2
83.08614	4.3
85.09656	0.4
85.10179	7.6
89.06042	1.5
93.06992	0.3
95.08604	8.3
97.10175	2.5
98.98472	5.2
99.11722	0.3
102.94746	0.3
103.07551	1.0
109.10143	3.9
111.11752	0.4
116.99480	0.4
123.10905	0.3
123.11694	1.5
137.13249	0.7
155.01045	3.1
171.45317	0.3
173.02124	0.6
229.31792	0.4
239.23685	1.5
257.24774	1.5
313.27359	100.0
314.27725	1.5
393.23984	0.8
449.26645	4.9
506.07849	0.4
548.73682	0.4
730.12244	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	969.5666
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	4.1
69.07066	3.4
69.89545	1.3
69.89951	2.8
71.08636	12.8
71.28797	0.7
74.91908	0.6
79.20007	0.6
81.07056	5.3
81.22429	0.7
83.08630	5.1
85.10188	8.5
95.08624	8.1
97.10149	1.4
98.98466	18.7
106.52543	0.8
109.10181	4.7
110.19814	0.7
123.11741	2.0
137.13222	0.7
155.01056	11.6
173.02107	1.7
173.43520	0.6
211.03728	0.7
239.23763	1.5
247.05798	1.9
257.24893	1.1
313.27374	100.0
314.27640	1.3
393.24008	3.0
414.19611	0.8
435.42841	0.8
449.26663	16.0
453.95502	0.7
719.33258	0.7
876.70532	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	968.5876
Annotation	Unknow
Peak:m/z	Relative Intensity
69.67377	1.1
69.67793	0.9
73.02885	0.3
73.06549	0.6
77.03915	0.7
79.05491	5.0
81.07010	0.4
87.04460	5.2
87.86769	0.3
89.06025	24.6
91.05470	3.9
91.07600	0.5
93.07036	0.4
95.04972	2.4
103.05460	4.9
105.07021	100.0
106.07355	1.7
107.05013	0.3
107.07059	1.2
107.59170	0.2
113.06019	0.3
116.06209	0.3
117.07008	1.2
117.09156	0.4
118.76247	0.3
119.08571	0.4
121.06512	1.6
129.06987	1.0
130.08626	0.8
131.07083	1.9
131.08562	8.1
133.08594	19.0
147.08072	0.9
149.06023	0.8
149.09615	0.6
165.07031	0.6
165.09099	0.7
166.07671	0.4
167.08589	0.8
175.09682	1.1
177.11214	7.4
179.08569	1.0
179.72623	0.3
181.10098	0.9
185.44078	0.3
194.10832	1.5
207.11687	0.6
209.13240	12.3
210.13516	0.5
216.76543	0.3
219.12181	0.6
221.13853	1.6
225.12738	2.6
235.14839	1.0
237.12743	0.8
239.14781	0.6
251.14314	2.8
255.15891	0.5
269.15366	2.2
313.18124	0.8
315.17545	1.2
327.17270	0.5
329.18918	1.8
355.20547	2.1
373.21371	1.8
433.25403	1.3
470.99237	0.3
477.27750	1.4
535.30768	0.6
543.92584	0.3
551.31995	0.4
581.33765	1.4
639.37201	1.5
763.09326	0.4
939.31342	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.583
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58935	2.1
81.07037	2.4
86.06065	5.4
86.09705	27.2
125.00007	17.2
127.06739	2.2
151.51064	2.0
177.40184	2.1
184.07338	100.0
279.67154	2.2
520.33984	19.5
524.34937	2.4
608.21771	2.4
717.05060	2.3
784.22546	2.5
933.26563	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	968.5783
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05162	1.2
67.05501	15.9
68.05004	1.3
69.03063	1.3
69.03419	15.8
69.07060	7.4
69.26337	3.4
69.26773	3.8
70.06584	6.3
71.01331	0.8
71.04971	2.9
71.08624	14.7
72.04488	0.9
73.02919	4.6
77.20651	0.7
79.05485	10.7
80.05004	2.8
81.03043	0.9
81.03409	24.2
81.07049	19.3
82.06569	2.3
83.04964	5.6
83.08620	10.3
84.04494	8.8
84.08115	3.2
85.02895	18.0
85.06500	1.7
85.09710	0.8
85.10181	9.5
86.06060	50.7
87.04461	26.6
89.06002	1.5
91.03941	9.1
91.05470	10.8
93.07028	11.9
94.06559	1.6
95.04958	9.4
95.08598	19.4
96.08135	2.5
97.02884	16.7
97.06536	5.7
97.10171	4.7
98.06044	41.0
99.04457	1.4
99.08094	0.7
101.02364	0.9
102.05535	2.3
103.07631	0.8
104.07095	35.6
105.07003	6.9
106.06465	0.7
107.04930	3.6
107.08580	4.5
108.08066	0.7
109.02855	1.6
109.06522	2.1
109.10130	6.5
110.09659	1.4
110.85179	0.7
111.04430	1.7
111.08072	2.0
112.07597	14.1
117.07026	1.6
119.08574	6.2
120.08128	1.0
120.08927	0.7
121.06508	5.0
121.10122	9.3
122.06035	1.7
123.08088	2.5
123.11699	3.1
124.07552	5.5
126.05497	9.7
126.09139	2.0
127.03921	5.3
129.06992	3.3
131.08551	6.6
133.06421	1.0
133.10141	3.3
135.11710	2.0
136.07515	1.0
138.05475	1.0
138.09135	2.3
138.12788	2.2
139.11182	1.3
140.07048	3.6
142.08633	4.2
145.04869	1.6
145.10081	1.3
147.04465	0.7
147.08078	1.9
147.11671	5.8
148.07591	3.8
149.09604	33.8
149.13275	1.5
150.35014	0.7
154.08598	4.0
157.10059	4.3
158.08090	9.1
159.11653	1.5
163.06032	1.4
163.11151	0.8
165.12801	2.4
166.08762	0.7
166.12289	3.0
167.10654	1.0
175.11209	4.2
177.12785	2.8
182.15454	2.2
184.13356	3.9
193.12215	14.8
194.15398	1.3
195.13853	1.2
206.15341	4.0
210.14856	8.9
211.13368	2.3
212.16470	1.4
224.16461	4.9
232.17021	1.1
234.14899	3.4
239.23738	2.4
240.15691	0.9
248.11252	1.1
250.18004	4.3
251.41556	0.8
252.15915	22.0
257.24792	1.4
258.16974	0.8
260.16406	8.0
266.12305	1.2
267.15897	45.7
268.19016	4.4
270.17126	2.5
278.17508	14.6
296.18552	8.9
302.19238	1.4
313.27332	57.2
314.19562	4.3
326.19653	2.4
344.20615	4.5
352.21115	1.4
362.21667	4.1
370.22153	6.1
388.23108	4.5
443.63000	0.8
505.38828	42.0
506.39130	1.4
523.39917	2.0
547.39972	1.3
556.90631	0.8
564.42896	1.0
582.43628	5.9
600.44611	46.9
601.44952	1.3
608.45105	3.8
626.46204	100.0
627.46692	2.1
631.41608	1.1
644.47101	1.5
668.47614	1.1
682.46808	1.2
710.47900	1.1
744.49457	2.0
759.11597	1.0
762.49866	22.2
770.50165	1.1
788.51477	62.0
789.51904	2.1
806.52722	1.3
844.51758	2.1
906.53998	1.5
924.55865	3.4
932.55109	1.9
950.56750	72.4
951.56769	3.1
968.61340	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	966.5829
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05519	6.1
69.44246	25.7
83.66146	3.5
85.38535	3.6
86.09702	44.1
87.02917	3.1
88.69115	3.3
95.08620	5.5
96.26511	3.4
99.48657	3.0
104.10742	79.6
110.60429	3.4
125.00009	21.2
146.58321	3.2
165.22287	3.0
184.07355	100.0
191.23706	3.6
195.69676	3.0
302.82047	3.4
335.25446	3.4
502.32898	6.7
520.34033	56.4
529.85730	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	965.5353
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05169	0.2
67.05497	3.1
69.03419	0.2
69.07063	16.5
71.04960	0.3
71.08627	4.2
73.02898	0.3
73.06536	0.2
75.04456	0.3
79.05125	0.1
79.05489	1.8
81.07049	4.2
83.04966	0.6
83.08611	16.7
85.06540	0.3
85.10181	1.8
89.06025	0.4
91.05460	0.6
93.07040	2.2
95.04937	0.2
95.08031	0.3
95.08599	2.9
95.09216	0.1
97.06532	1.9
97.10162	12.3
98.98456	9.3
98.99113	0.4
105.07017	0.8
107.04950	0.2
107.08578	1.8
109.10138	1.2
111.08088	0.9
111.10938	0.2
111.11708	3.4
115.07546	0.2
116.99498	0.5
119.08569	0.4
121.09306	0.2
121.10134	2.7
123.11697	0.6
125.09595	0.6
125.13247	0.5
129.05527	0.3
131.08473	0.2
133.10143	0.2
135.11674	1.8
136.99911	0.2
137.13231	0.5
139.11156	0.4
147.11620	0.1
149.13234	0.9
153.12785	0.3
155.01024	5.7
162.00851	0.2
163.14806	0.6
164.40918	0.1
167.14346	0.2
173.02100	1.0
177.16382	0.3
202.50621	0.2
211.03587	0.2
219.21046	0.5
229.04716	0.5
237.22066	1.1
247.05701	0.8
275.20065	0.3
311.25766	100.0
312.26141	1.8
349.23886	0.2
391.22467	0.6
405.76700	0.1
407.03683	0.2
447.25021	8.3
465.25970	0.2
543.36560	0.3
605.41901	0.2
687.40698	0.2
783.62585	0.2
964.70770	0.2
965.53510	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6198
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05171	2.7
67.05502	37.0
69.03420	3.8
69.07069	17.2
70.91576	5.4
71.04980	5.9
71.08624	23.3
73.40025	1.9
79.05486	20.2
81.03395	5.9
81.07048	54.2
83.04961	6.8
83.08621	19.3
85.02889	8.9
85.06540	2.3
85.10181	14.4
89.06038	3.1
91.03951	4.9
91.05469	20.2
93.07036	26.4
95.04952	7.0
95.08036	3.1
95.08598	31.5
97.02878	6.4
97.06493	8.5
97.10142	8.6
99.08069	2.9
105.07032	15.3
106.16183	2.0
107.04939	4.9
107.08596	17.3
109.02884	3.2
109.06497	3.6
109.10143	14.9
111.08056	3.1
117.07000	8.4
119.08572	15.1
121.06474	3.7
121.10110	9.1
123.11668	4.8
127.03894	6.6
129.05472	2.6
129.06995	3.7
131.08560	13.2
133.10153	13.2
135.08064	3.4
135.11681	9.9
141.07054	2.3
145.04889	2.3
145.10100	7.8
147.11653	7.5
149.09579	9.3
149.13234	8.4
157.10179	2.5
159.11728	5.4
163.06001	2.5
163.11186	4.6
169.10164	2.4
171.11667	3.4
173.13177	3.0
177.12761	2.9
183.11620	2.8
195.13866	3.4
215.55806	2.3
219.70520	2.2
227.12712	2.6
229.14244	2.8
239.23683	5.0
255.15892	14.7
257.19095	8.6
269.17447	36.9
275.17285	3.2
275.20065	28.6
293.21194	4.2
309.20648	5.0
313.27328	100.0
331.22513	3.7
349.23749	25.9
353.46564	2.3
362.01376	2.2
367.24771	4.0
378.33014	2.2
383.22116	2.3
413.21463	3.9
444.33307	2.2
453.02957	2.6
467.37360	3.5
493.38620	17.1
507.40375	88.6
508.40680	3.1
547.43451	10.0
587.46631	35.0
605.47638	12.3
978.41711	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	964.5882
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	6.6
69.06716	1.3
69.07069	11.5
71.08637	2.0
71.58825	0.7
71.59186	0.9
79.05486	2.4
81.07059	10.4
83.08615	8.9
85.10224	0.8
87.04476	1.3
89.06023	1.8
91.05476	1.1
93.07047	3.9
95.08616	8.8
97.06507	1.1
97.10172	3.7
98.98479	6.6
99.04446	1.3
104.51054	0.9
107.08585	2.6
109.10167	5.0
111.08055	1.1
111.11718	1.8
121.10144	4.5
123.11707	1.6
124.01602	1.5
133.08601	1.3
135.11694	3.0
142.02687	1.0
149.13200	1.1
151.15047	0.7
155.01047	5.5
173.02133	1.3
184.07367	0.7
198.05423	1.3
216.06372	3.1
227.20056	9.0
228.20424	3.3
229.20599	1.1
265.25323	3.3
308.29471	10.2
337.27310	1.0
339.28925	100.0
340.29398	2.0
408.65317	0.8
411.74817	0.8
416.95300	0.8
419.25723	7.3
462.29813	23.3
463.30502	1.0
480.30807	25.5
508.81149	0.9
687.70331	1.0
789.00110	1.1
878.09918	0.9
929.56897	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.5663
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03408	0.2
70.12492	1.0
71.04950	0.3
73.02898	0.7
73.06542	1.8
74.63729	0.2
77.03934	0.4
79.05482	5.1
81.03313	0.2
87.03914	0.4
87.04459	10.6
89.06020	41.4
91.05463	4.3
93.07068	1.0
93.86842	0.2
95.04954	2.1
103.05453	5.0
105.07017	100.0
106.07349	1.2
107.04931	0.4
107.07068	1.8
112.05463	0.2
113.05992	0.5
115.05428	0.3
115.07558	0.2
116.06207	0.3
117.06981	0.5
117.09127	1.6
119.04941	0.5
119.08551	1.2
121.06489	5.2
123.08070	0.2
128.06165	0.3
129.06992	1.3
130.08633	1.1
131.07053	3.2
131.08549	5.8
133.08588	23.9
133.10170	0.9
135.08078	0.3
135.10109	0.3
139.86452	0.2
145.06454	0.7
147.08023	3.8
149.09587	1.3
151.09538	0.3
155.08455	0.3
165.06995	0.7
165.09058	0.9
166.07715	0.4
169.10107	0.2
173.09717	0.3
175.09747	1.5
175.11087	0.4
177.11197	6.5
178.07767	0.2
179.08481	0.3
180.09332	0.2
181.10263	0.2
183.10141	0.3
185.14610	0.2
191.10619	0.5
192.09288	0.4
193.12186	0.4
195.12054	0.2
197.09526	0.2
207.11620	0.4
209.11586	0.3
209.13371	0.2
211.13181	0.3
219.12099	0.4
221.13814	0.6
223.11177	1.4
225.12712	15.2
226.13106	0.3
227.12662	0.4
235.13103	0.3
239.14551	0.4
249.12648	0.5
251.14319	2.7
253.15993	0.3
255.15909	0.2
265.16251	0.3
267.13715	0.8
269.15308	2.7
271.15262	0.4
277.15723	0.3
295.16745	0.9
311.16348	0.4
313.17838	0.7
315.17868	0.2
327.17377	1.0
329.18842	0.7
339.19604	0.2
373.21576	5.7
445.25476	0.2
460.11548	0.2
658.98376	0.2
672.39044	0.2
777.09167	0.2
883.83411	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.5667
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03420	0.2
71.04990	0.2
73.02911	0.9
73.06551	1.9
75.01978	0.1
77.03933	0.4
79.05484	4.6
87.04459	11.0
89.06020	40.0
90.06346	0.2
91.05467	4.4
91.07574	0.3
93.07031	0.8
95.04958	2.1
103.05460	5.1
105.07017	100.0
106.07365	1.1
107.04934	0.3
107.07063	1.8
113.05980	0.4
115.05422	0.3
115.07548	0.3
116.06218	0.3
117.06973	1.0
117.08348	0.3
117.09114	2.0
119.04918	0.4
119.08569	1.3
121.06489	5.9
129.06969	1.3
130.08621	1.4
131.04857	0.2
131.07050	2.9
131.08546	5.7
133.08586	23.6
133.10191	0.7
134.08829	0.2
135.08000	0.3
145.06476	0.7
147.08029	3.6
149.09578	1.1
151.09654	0.2
155.08563	0.2
159.10173	0.3
161.11739	0.4
165.07050	0.7
165.09100	1.1
166.07751	0.5
169.10118	0.5
173.09621	0.5
175.09628	1.6
175.11139	0.4
177.11203	6.2
178.11565	0.2
179.08664	0.3
188.28990	0.2
191.10667	0.5
192.09286	0.4
193.12202	0.3
195.07944	0.2
196.08861	0.2
207.11696	0.4
208.08778	0.2
209.11649	0.4
209.13362	0.3
210.10382	0.2
211.13309	0.3
219.12190	0.4
221.13844	0.8
223.11122	1.6
223.15369	0.2
225.12712	14.2
226.13036	0.3
227.12668	0.3
230.64075	0.2
235.13127	0.2
237.12750	0.2
239.14485	0.4
249.12637	0.6
251.14285	2.7
253.15915	0.3
267.13690	0.7
269.15314	2.8
277.15784	0.2
283.17389	0.3
295.16870	0.8
297.18576	0.2
311.16293	0.5
313.17886	0.6
315.17929	0.2
327.17224	1.1
329.18820	0.6
336.87711	0.1
373.21582	5.9
374.21738	0.2
405.03897	0.2
481.64972	0.1
535.03021	0.2
537.59534	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.5666
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	0.3
69.03418	0.7
71.05006	0.4
71.20800	0.3
71.21124	0.3
73.02915	1.8
73.06549	2.7
77.03932	0.6
79.05487	7.1
79.18849	0.2
81.03432	0.2
87.04462	16.2
89.06023	66.2
91.05475	14.8
91.07599	0.4
93.07043	1.7
95.04964	3.3
103.05462	8.0
105.07022	100.0
106.07392	1.2
107.04951	3.0
107.07053	2.6
107.08595	0.2
112.56219	0.2
113.05969	0.9
115.05436	0.5
115.07565	0.4
116.06236	1.0
117.07021	2.5
117.09113	2.6
119.04912	1.7
119.08574	6.8
121.06496	13.1
127.76832	0.2
128.06210	1.9
129.07004	5.3
130.08617	1.9
131.04875	0.2
131.07062	4.4
131.08560	10.9
132.05690	1.4
133.06548	1.1
133.08591	38.5
133.10197	1.3
134.08984	0.2
135.08076	1.2
135.10165	0.3
136.67465	0.2
144.05606	0.2
145.06468	1.9
145.10201	0.2
147.08035	54.6
148.08371	0.7
149.09605	10.1
151.09651	0.3
153.06895	0.2
155.08533	0.3
157.08691	0.2
157.10126	0.3
161.11723	0.5
163.07520	0.5
163.11218	0.4
165.07027	0.5
165.09100	0.9
166.07768	0.8
171.08046	0.5
173.09633	1.4
175.09703	2.1
175.11102	0.3
177.09641	0.4
177.11208	9.2
178.07658	0.5
179.08525	0.8
179.12807	0.3
181.10141	2.3
191.10632	0.8
192.09322	0.3
193.10353	0.5
193.12262	0.6
194.07393	0.3
195.35242	0.2
207.08052	0.2
207.11708	0.6
208.08878	0.7
209.09734	0.2
209.11575	0.3
209.13332	0.3
219.12195	0.4
220.08913	0.3
221.13818	1.1
222.10406	0.4
223.11195	2.7
223.15076	0.4
225.12724	23.3
226.13014	0.4
227.12616	0.3
234.10425	0.3
235.11266	0.3
235.14854	0.4
236.12102	0.3
237.12796	0.5
239.14864	0.3
247.40785	0.2
249.12749	4.2
251.11993	0.2
251.14355	3.7
255.16016	0.5
267.13773	0.8
269.15308	1.8
271.15445	0.4
283.17416	0.3
295.16919	0.4
299.18506	0.2
311.16400	0.5
313.17862	0.7
315.17950	0.3
327.17218	0.5
329.19058	0.9
373.21628	5.1
374.21851	0.3
406.60532	0.2
469.39633	0.2
570.90082	0.3
601.24573	0.2
629.42157	0.2
963.69086	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.5669
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	0.3
69.03407	0.3
70.06586	0.2
71.04982	0.4
71.60217	0.2
71.60595	0.2
73.02911	1.6
73.06551	3.5
77.03935	0.7
79.05488	6.8
81.03426	0.2
81.07042	0.2
87.04459	15.9
89.06022	60.2
90.06353	0.3
91.05470	14.9
91.07600	0.3
92.05771	0.3
93.07042	2.1
95.04964	3.8
95.05550	0.3
103.05461	8.4
105.07020	100.0
106.07371	1.1
107.04956	2.8
107.07060	2.9
107.08591	0.4
113.06016	0.8
115.05424	0.8
115.07584	0.3
116.06211	1.0
117.07014	2.9
117.09126	2.7
119.04926	1.4
119.08569	7.3
121.06493	12.9
128.06189	2.1
129.06992	5.2
130.07776	0.3
130.08629	2.4
131.04878	0.2
131.07056	4.1
131.08549	9.8
132.04785	0.2
132.05670	1.3
132.08873	0.2
133.06551	1.0
133.08591	33.6
133.10182	1.2
134.08870	0.3
135.08026	0.6
135.10098	0.3
141.06938	0.2
143.08533	0.3
145.06451	1.8
147.08032	54.6
148.08366	0.8
149.09608	10.5
153.07021	0.2
155.06081	0.2
155.08492	0.3
157.10109	0.3
159.08061	0.2
159.10158	0.3
161.09518	0.2
161.11699	0.4
163.07532	0.3
163.11165	0.6
165.06967	0.6
165.09122	0.7
166.07773	0.8
171.08058	0.3
173.09604	1.4
175.09645	2.2
175.11169	0.5
177.11206	8.6
178.07719	0.2
179.08615	0.8
179.12816	0.2
181.10085	2.2
183.07962	0.2
189.09190	0.2
191.09026	0.2
191.10603	0.9
192.09328	0.5
193.10551	0.4
193.12289	0.4
194.07191	0.2
195.11647	0.2
196.08894	0.2
203.08514	0.2
204.09285	0.3
207.08118	0.2
207.11691	0.7
208.08833	1.0
209.09700	0.4
209.11549	0.3
209.13310	0.3
219.12199	0.4
221.09550	0.4
221.13799	0.9
222.10347	0.5
223.11179	2.5
223.15352	0.4
225.12717	22.3
226.13087	0.4
227.12767	0.4
234.10269	0.4
235.11188	0.2
235.14749	0.5
236.11787	0.2
237.12724	0.6
239.14737	0.3
249.12712	4.5
251.14328	3.0
253.14182	0.2
255.15814	0.2
267.13708	0.8
269.15326	1.5
271.15210	0.3
277.15836	0.2
283.17410	0.3
295.16846	0.4
299.18735	0.2
305.39386	0.2
311.16370	0.6
313.17838	0.5
315.17853	0.3
327.17285	0.9
329.18896	0.7
355.20514	0.3
373.21609	3.7
485.03320	0.2
740.99127	0.2
963.69061	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.5722
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	2.2
69.07056	1.6
71.08282	0.7
71.08635	7.9
71.58533	0.6
72.16566	0.4
76.56552	0.4
81.07065	3.4
81.35208	0.4
83.08613	2.8
85.10186	5.1
89.06031	0.7
95.08620	4.9
97.10161	1.7
98.98454	2.7
109.10149	2.2
111.11739	0.5
123.11734	0.8
124.01614	1.0
137.13225	0.8
142.02603	1.1
155.01062	4.3
173.02127	0.5
182.06143	0.4
198.05244	1.8
216.06432	3.1
239.23807	0.6
257.24792	0.4
282.27908	10.3
292.75745	0.5
313.27365	100.0
314.27838	2.9
333.01239	0.4
393.24033	9.5
436.28210	27.6
437.28369	0.8
454.29291	26.8
455.29327	0.9
499.33307	0.4
529.18817	0.4
621.93085	0.4
840.38171	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5644
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	31.6
69.07074	6.8
69.37495	0.7
69.47437	2.5
69.47873	3.8
71.04997	1.0
73.02925	0.7
79.05069	0.9
79.05495	16.6
81.03405	1.8
81.07059	32.7
83.04999	1.2
83.08639	4.2
89.06051	0.8
91.05472	8.9
93.06470	1.5
93.07043	22.9
93.07626	1.5
95.04974	1.5
95.08608	26.0
97.06544	1.8
97.10150	1.6
98.21505	0.8
99.08118	1.1
105.07026	6.7
107.08595	12.1
109.10152	10.5
113.00018	28.3
117.07001	1.9
119.08590	6.4
121.10146	10.5
123.11689	4.4
131.08554	4.6
133.10143	4.0
135.11694	6.8
137.09627	0.9
137.13251	1.9
145.10136	3.3
147.11674	2.4
149.02313	2.5
149.13254	5.0
159.11688	2.7
161.13229	2.6
163.14798	2.7
169.02623	14.6
173.13239	2.5
175.14873	1.1
177.16362	1.3
187.03699	3.7
187.14819	1.1
193.04941	2.6
227.20044	1.0
243.21066	6.4
261.22134	16.9
317.24738	1.8
335.25790	100.0
336.26056	1.3
353.26874	2.9
385.09299	1.8
497.31036	2.0
533.66296	0.8
635.15613	0.8
640.63757	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5639
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	25.6
69.07065	6.4
69.84164	2.4
69.84579	2.9
79.05492	16.7
81.07058	24.7
83.08614	3.0
83.95499	0.9
85.02888	1.6
89.06036	1.2
91.03950	1.4
91.05483	7.4
93.07045	18.1
95.04975	1.7
95.08609	22.0
97.10149	1.9
98.20749	1.4
98.66016	0.9
105.07021	5.4
107.08586	10.3
109.10152	8.9
113.00011	24.1
117.06983	2.4
119.08608	4.5
121.10123	7.6
123.11709	3.3
131.08560	4.2
133.10117	4.1
135.11694	6.7
145.10114	2.8
147.11668	2.7
149.13258	3.5
159.11681	2.3
161.13243	2.8
163.14859	1.7
169.02628	12.0
173.13203	2.0
175.14824	0.9
187.03653	3.7
187.14787	1.6
204.08821	0.9
227.20148	2.2
243.21048	4.4
261.22171	11.6
317.24805	2.1
335.25800	100.0
336.26166	1.4
353.26782	2.5
495.45181	1.0
497.31107	6.2
741.99182	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	960.5951
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	0.3
69.03415	0.8
70.06585	1.7
70.08079	0.1
71.04991	0.9
71.06960	0.1
71.59859	0.2
72.08143	0.4
73.02911	3.4
73.06549	4.2
79.05496	0.2
81.03414	0.3
82.62062	0.1
84.04478	0.3
84.08147	0.4
85.02874	0.2
86.06049	0.3
86.09709	0.6
87.04462	27.8
88.04806	0.2
89.06023	100.0
90.06319	0.3
91.05484	0.2
91.07588	0.6
95.04957	0.5
97.06508	0.5
104.05990	0.1
106.19062	0.1
107.04953	0.5
107.07059	5.9
107.36284	0.1
110.07150	0.2
113.05998	2.1
114.05491	0.5
115.07573	0.9
117.09124	3.4
120.08106	0.3
121.02906	0.2
129.06590	0.1
129.10237	0.3
130.08641	2.0
131.06013	0.1
131.07030	7.2
133.08591	66.5
134.08865	0.3
135.10094	0.6
136.07613	0.2
139.07559	0.2
151.09647	0.5
154.76025	0.1
157.08604	0.6
159.10147	0.9
161.11732	1.0
175.07303	0.2
175.09653	4.8
175.11179	0.2
177.11208	22.6
178.11546	0.1
179.12787	0.3
185.05611	0.2
187.13487	0.1
193.10674	0.5
195.12315	0.2
201.11205	0.4
203.12756	0.3
219.12224	1.5
221.13805	3.2
223.15411	0.6
229.08090	0.2
237.13396	0.2
239.14903	1.1
263.14963	0.3
265.16376	0.5
267.18021	0.4
272.12820	0.2
283.17487	1.3
298.10263	0.4
309.19113	0.7
311.20502	0.2
327.20047	0.7
353.21521	0.5
353.40335	0.1
355.67258	0.1
369.14383	0.2
371.22705	0.2
387.14890	0.2
397.24048	0.2
441.26617	0.3
500.23029	0.2
529.32214	0.1
588.78180	0.1
707.93860	0.2
938.47162	0.1
943.56604	0.8
960.61102	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.5693
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05518	3.1
69.03408	3.3
69.07052	0.7
71.04971	0.7
71.43636	0.5
71.59529	0.5
71.59975	0.6
73.02913	3.0
79.05489	1.6
81.03411	1.8
81.07050	3.1
85.02892	5.2
91.03961	2.1
91.05467	1.2
93.07051	2.2
95.08607	2.3
97.02877	4.7
100.54090	0.6
101.02374	2.0
101.82565	0.5
105.07035	0.7
107.08610	1.2
109.10175	0.7
113.13380	0.6
115.03899	0.7
121.10148	0.8
127.03951	1.4
131.08609	0.7
133.10201	0.9
170.56035	0.6
185.04272	0.7
243.08508	1.4
288.93884	0.7
347.09665	2.3
365.10364	0.7
405.13647	4.8
459.04730	0.8
508.72073	0.6
519.29285	6.2
681.34204	7.8
797.51251	1.2
959.56818	100.0
960.57501	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	952.5769
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	0.1
69.03437	0.1
71.04983	0.2
73.02905	0.6
73.06552	1.1
77.03890	0.6
79.05484	5.9
81.03413	0.1
87.03905	0.2
87.04459	6.0
89.06022	29.1
91.05465	3.0
93.07050	0.3
95.04964	2.6
98.20628	0.2
103.05460	5.4
105.07019	100.0
106.07364	1.1
107.04949	0.2
107.07050	1.1
113.05997	0.3
115.05402	0.2
115.07581	0.1
116.06213	0.3
117.07001	0.6
117.09126	0.9
119.04950	0.3
119.08546	0.5
121.06499	3.0
125.24242	0.1
126.64157	0.1
128.06145	0.2
129.06999	0.9
130.08629	0.4
131.07065	1.7
131.08551	5.4
133.08591	18.4
133.10188	0.6
134.08922	0.1
134.94008	0.1
135.08041	0.2
135.10143	0.2
145.06465	0.3
147.08028	2.3
149.09604	0.7
151.09637	0.1
153.06926	0.1
155.08511	0.2
157.08708	0.1
157.10094	0.2
161.11713	0.2
163.11281	0.1
165.06996	0.3
165.09126	0.6
166.07802	0.3
167.08640	0.2
169.10104	0.2
173.09605	0.4
175.09666	1.3
175.11089	0.2
177.11201	7.3
179.08525	0.2
181.10104	0.5
191.10692	0.3
192.09358	0.2
193.10272	0.1
193.12263	0.2
207.11809	0.2
209.11562	0.2
209.13258	0.3
219.12198	0.3
221.13754	1.1
222.10269	0.1
223.11162	0.7
223.15317	0.2
225.12720	5.0
227.12706	0.2
235.14888	0.2
237.12949	0.1
239.14786	0.2
249.12711	0.5
251.14294	9.6
252.14655	0.3
253.15973	2.0
265.16327	0.2
267.13812	0.3
267.17670	0.2
269.15338	1.3
271.15213	0.3
277.15955	0.1
279.15982	0.2
283.17444	0.3
295.16873	0.4
301.15826	0.1
309.19019	0.2
311.16220	0.4
313.17990	0.9
315.17960	0.2
327.17200	1.6
327.20367	0.2
329.18964	7.4
330.19336	0.3
353.18604	0.3
355.20282	0.4
357.20731	0.3
362.95969	0.1
371.19879	0.4
373.21582	3.0
374.21808	0.2
401.22913	0.2
417.24185	0.2
419.24271	0.2
433.25043	0.1
463.27200	0.2
477.21146	0.2
477.27838	2.8
551.31586	0.1
727.41681	0.5
831.47693	0.4
952.56372	0.3
963.80273	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	954.6145
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	30.7
69.07057	5.2
71.48956	5.3
73.02907	3.2
79.05116	2.7
79.05499	24.8
81.07050	32.8
83.08604	4.4
85.02906	13.0
86.90376	2.4
91.03936	10.4
91.05474	13.9
93.07047	24.1
95.04954	3.0
95.08611	27.9
97.02895	7.9
105.07021	8.6
107.08574	13.1
107.41743	2.4
109.10154	11.5
117.06979	3.5
119.08630	12.3
121.10170	12.8
123.11683	7.5
131.08566	5.5
133.10135	5.8
135.11658	8.2
145.04945	5.2
145.10172	4.7
147.11673	6.5
149.13174	4.5
159.11670	5.2
161.13242	8.7
163.05997	7.1
163.14868	4.3
173.13200	3.9
175.14758	3.2
241.19562	4.4
243.21115	7.3
245.45789	2.3
259.20630	9.2
261.22055	14.7
317.24557	2.8
333.24277	8.4
335.25803	100.0
337.27332	13.4
463.81619	2.8
521.43854	3.4
595.47296	15.7
613.48047	15.0
850.41589	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	952.5666
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	2.0
71.59921	2.8
71.60277	3.3
81.07036	2.3
86.09697	25.1
98.98398	2.0
104.10722	4.3
125.00009	19.5
128.49759	1.8
139.11473	1.7
139.59210	1.8
174.13943	1.8
177.16518	1.8
184.07341	100.0
320.19595	2.2
341.05762	1.7
341.10333	1.7
375.20697	2.0
379.42081	1.8
491.25241	1.8
520.33887	15.0
563.82678	2.4
746.52930	2.2
830.13049	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	952.5771
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05514	0.1
69.03420	0.2
69.71976	0.6
73.02903	0.7
73.06550	1.0
77.03909	0.5
79.05486	5.8
81.03422	0.2
87.04459	6.3
89.06021	32.5
91.05472	3.0
91.07571	0.3
93.07038	0.4
95.04961	2.6
95.99934	0.1
97.77259	0.1
98.20793	0.2
103.05462	5.3
105.07018	100.0
106.07350	1.1
107.04969	0.2
107.07062	1.5
113.05994	0.2
115.05446	0.2
116.06232	0.2
117.06989	0.5
117.09122	1.2
119.04947	0.3
119.08552	0.7
121.06500	2.9
128.06216	0.2
129.06985	1.2
130.07765	0.2
130.08618	1.0
131.07056	2.1
131.08548	5.7
133.08588	23.6
133.10194	0.7
134.08884	0.1
135.10152	0.2
145.06509	0.3
145.10115	0.1
147.08035	2.1
149.09596	0.9
159.10201	0.1
161.11671	0.3
165.06952	0.3
165.09079	0.4
166.07756	0.4
169.10077	0.2
171.38051	0.1
173.09523	0.5
175.09653	1.6
175.11156	0.2
177.11203	8.4
179.08609	0.2
179.12724	0.2
181.10083	0.5
191.10646	0.3
192.09395	0.2
193.10583	0.1
193.12233	0.1
196.68515	0.1
197.09537	0.1
199.89104	0.1
202.23141	0.1
207.11697	0.2
208.08847	0.1
209.09671	0.2
209.11603	0.2
209.13301	0.3
211.13319	0.2
219.12267	0.5
221.09558	0.2
221.13808	1.4
222.10338	0.1
223.11154	0.9
223.15289	0.3
225.12720	5.8
227.12714	0.2
235.12939	0.1
235.14848	0.3
237.12730	0.2
239.14761	0.4
249.12769	0.6
251.14290	11.2
252.14516	0.2
253.15916	2.5
255.15860	0.2
265.16403	0.4
267.13763	0.5
267.17535	0.3
269.15314	1.6
271.15283	0.3
277.15918	0.2
283.17438	0.6
295.16882	0.5
299.18518	0.1
301.15851	0.1
309.19095	0.3
311.16284	0.5
313.17960	1.0
315.17654	0.3
327.17239	2.3
329.18961	9.3
330.19275	0.2
353.18457	0.5
355.20316	0.4
357.20541	0.4
371.19733	0.6
373.21564	3.8
375.21649	0.1
401.22910	0.2
403.23691	0.1
415.22418	0.1
417.24124	0.4
419.24075	0.2
433.24619	0.1
463.26453	0.2
477.27805	3.2
478.28204	0.1
507.29172	0.2
535.31134	0.1
551.31219	0.1
595.34351	0.1
639.36682	0.1
727.42389	0.7
831.47675	0.4
935.54565	0.2
952.55719	0.3
971.16028	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	949.6244
Annotation	Unknow
Peak:m/z	Relative Intensity
66.04570	0.4
67.05524	0.7
67.22398	0.5
69.62354	1.4
69.62775	2.0
71.07374	4.5
71.08634	1.6
85.10165	0.7
86.09706	49.0
87.10059	0.6
95.08614	1.0
98.20825	1.1
98.98445	2.5
100.91878	0.5
104.10742	99.1
105.11058	0.8
121.34069	0.5
125.00003	24.4
135.26877	0.4
138.39374	0.5
143.01067	0.7
163.01607	0.8
163.75786	0.4
176.76186	0.5
181.02580	0.7
184.07341	100.0
185.07703	0.9
185.95969	0.5
197.17149	0.5
199.03687	0.6
258.11044	0.9
313.27435	2.6
356.11154	0.5
478.32855	9.9
496.33987	87.1
497.34259	4.6
595.13452	0.5
634.00079	0.5
842.02771	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.5802
Annotation	Unknow
Peak:m/z	Relative Intensity
66.46900	0.6
67.05506	34.2
67.59737	0.6
69.07066	17.2
70.78142	0.7
70.78474	1.7
71.04982	0.9
71.08620	2.4
73.02910	0.8
77.30841	0.6
79.05495	11.4
81.03420	0.9
81.07057	42.8
83.04969	0.9
83.08152	1.0
83.08618	12.5
85.02868	0.9
85.06561	0.8
85.10168	1.5
91.03951	1.1
91.05477	6.4
93.07044	11.9
95.04970	2.1
95.08606	36.0
97.06539	3.7
97.10163	7.2
98.98464	21.9
99.08064	1.7
100.86043	0.7
104.10764	4.2
105.07032	5.2
107.08610	7.8
109.10148	15.6
111.08065	2.0
111.11666	0.8
112.46964	0.6
113.09666	0.9
116.99522	1.9
119.08582	6.2
121.10144	8.1
123.08053	0.9
123.11707	6.9
125.09646	1.0
127.11113	0.8
133.10153	6.4
135.11710	4.5
137.09676	0.9
137.13264	3.3
139.11134	0.6
141.12723	0.7
147.11688	4.2
149.13240	3.8
151.14810	3.1
155.01033	13.9
161.13258	4.9
163.14832	3.7
165.16415	3.5
169.39206	0.7
173.02133	5.8
175.14845	3.3
179.17917	1.4
184.07367	2.2
189.16353	2.0
207.17427	1.0
245.20090	0.7
245.22668	19.0
263.23703	32.4
266.15884	0.7
303.69684	0.7
313.27487	0.7
337.27365	100.0
338.27771	2.9
355.28403	0.7
417.23965	1.0
459.24814	1.0
496.34143	1.1
497.34265	1.0
498.34140	1.1
499.32672	6.0
518.32220	1.1
652.73785	0.7
731.72961	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.5637
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	53.9
68.05879	0.5
69.03443	1.2
69.07066	15.1
71.04993	1.1
71.08626	2.1
71.59041	0.8
73.02917	0.9
75.04456	1.2
75.57132	0.5
79.05491	26.5
81.03410	1.0
81.07055	58.3
82.07393	0.6
83.04958	1.4
83.08614	9.9
85.02888	1.9
85.06534	2.1
85.07038	0.5
85.10172	1.0
91.03943	1.0
91.05473	15.7
91.22379	0.5
93.07040	35.1
95.04960	2.7
95.08604	49.8
97.02872	1.3
97.06525	4.0
97.10171	4.9
98.98463	38.8
99.08089	1.8
105.07027	11.0
107.05009	0.5
107.07864	1.1
107.08591	20.4
108.08991	0.5
109.06508	1.2
109.10154	24.7
111.08059	1.7
111.11687	1.6
113.09649	1.2
116.99522	2.3
117.07031	3.4
119.07790	0.8
119.08575	10.4
121.10137	19.1
123.08085	1.2
123.11706	11.1
124.90665	0.5
125.09614	0.7
127.03951	0.8
129.05476	0.9
131.08571	7.3
132.95544	0.4
133.10136	10.6
135.11693	14.0
137.09636	1.2
137.13268	4.1
139.11156	0.5
141.12697	0.8
145.10127	4.5
146.53918	0.5
147.11693	7.4
149.09624	0.8
149.13257	11.9
151.11142	1.0
151.14818	2.1
153.12733	0.8
155.01038	6.9
155.14340	0.9
159.11694	4.9
161.13245	8.0
163.14809	8.4
165.12811	1.1
165.16429	2.8
166.26637	0.5
173.02097	5.8
173.13249	4.7
175.14795	4.2
177.12703	0.7
177.16388	2.4
179.14307	0.9
179.17950	1.8
183.06604	0.6
183.11705	0.7
187.14807	1.8
189.16409	2.3
201.07588	0.6
201.16351	1.1
203.17876	0.6
217.19585	0.8
233.22670	2.0
243.21063	10.3
245.20068	0.7
245.22644	17.5
261.22128	29.5
263.23691	23.4
279.23212	0.9
281.24860	0.7
291.22891	0.6
317.24774	3.4
335.25784	100.0
336.26080	2.4
337.27353	26.2
338.27731	0.7
355.28403	1.7
415.22372	1.8
433.23462	0.8
481.31464	1.0
499.32697	8.6
506.89740	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.5564
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	0.3
69.03408	0.6
70.13140	0.2
71.04984	0.5
73.02909	1.7
73.06547	3.0
77.03920	0.5
79.05479	4.8
81.03423	0.3
86.90015	0.2
87.04458	25.3
89.06020	60.5
90.06367	0.5
91.05469	8.0
91.07593	0.3
93.07027	3.6
95.04961	3.8
103.05456	7.2
105.07018	100.0
106.07361	1.5
107.04974	1.0
107.07053	3.4
113.06029	1.0
115.05434	0.5
115.07570	0.5
116.06223	0.7
117.06978	1.6
117.09122	2.4
119.04943	1.8
119.08566	2.4
121.06491	24.1
122.06806	0.5
123.08082	0.2
128.06189	0.6
129.06999	3.1
130.08615	2.7
131.07018	6.8
131.08553	7.6
133.08588	36.2
134.08917	0.3
135.08069	1.0
135.10086	0.2
139.07510	0.2
141.06938	0.6
143.08513	0.4
145.06482	1.1
145.10107	0.3
147.08034	6.3
147.09206	0.3
149.09587	2.8
151.09641	0.4
153.07004	0.5
154.07745	0.4
155.06015	0.2
155.08519	0.5
157.08583	0.5
159.10211	0.4
161.09686	0.3
161.11674	0.5
163.07497	0.5
163.11182	0.4
165.07007	3.3
165.09077	2.5
166.07748	3.7
167.08575	0.3
167.10834	0.2
169.10094	0.6
173.09583	0.8
173.65770	0.2
175.09673	2.9
175.11148	0.4
177.11201	9.1
178.07732	0.4
179.08531	0.7
179.10915	0.2
179.84270	0.2
180.09346	0.2
181.10110	0.4
191.10641	1.1
192.09325	0.3
193.10776	0.3
193.12260	1.4
195.08180	0.2
196.08719	0.2
197.09625	0.4
209.11624	0.6
211.13280	0.8
219.12204	0.6
221.09563	0.2
221.13753	1.0
223.11150	1.3
225.12721	6.5
230.09431	0.2
235.13289	0.6
237.14888	0.4
239.14571	0.8
246.65657	0.2
251.14348	2.1
255.15854	0.7
267.13916	0.4
267.17499	0.8
269.15338	11.5
270.15530	0.2
279.15912	0.5
283.17340	0.5
293.15005	0.2
295.16815	1.0
297.18188	0.2
299.18311	0.4
311.16406	0.4
313.17929	1.5
353.29797	0.2
457.09045	0.2
610.16870	0.2
684.65228	0.2
708.32214	0.2
947.69147	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.5567
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	0.2
69.03421	0.5
70.01768	0.2
71.04984	0.5
72.28981	0.2
73.02908	1.9
73.06551	2.8
77.03921	0.7
77.41660	0.1
79.05052	0.3
79.05488	5.7
87.04462	25.2
89.06023	64.4
90.06321	0.2
91.05470	8.7
91.07585	0.2
93.07037	4.2
95.04964	3.9
98.20693	0.4
101.87142	0.2
103.05458	7.8
105.07021	100.0
106.07367	1.0
107.04966	1.1
107.07061	3.9
107.08553	0.2
113.05991	1.3
115.05424	0.5
115.07536	0.5
116.06232	0.4
117.06993	1.2
117.09125	2.3
119.04933	2.1
119.08559	2.3
121.06493	25.5
122.06761	0.3
128.06190	0.5
129.06989	3.0
130.08627	2.3
131.06013	0.2
131.07018	7.3
131.08553	7.3
133.08591	36.6
134.08861	0.2
135.08063	0.8
135.10129	0.3
141.06966	0.6
143.08588	0.2
145.06473	1.3
145.10109	0.3
147.08034	6.1
149.09604	2.9
151.09590	0.3
153.06985	0.5
154.07753	0.2
155.08519	0.8
157.08626	0.3
157.10106	0.2
159.10182	0.3
161.11676	0.5
163.07495	0.8
163.11140	0.6
165.06992	3.3
165.09088	2.4
166.07764	3.6
167.08513	0.5
167.10655	0.3
169.10130	1.1
171.08040	0.2
172.80176	0.2
173.09596	0.8
175.09671	3.5
175.11157	0.5
177.11208	9.1
178.07756	0.4
179.08568	0.8
180.09329	0.3
181.06427	0.2
181.10211	0.2
183.08066	0.2
191.10599	0.9
192.09296	0.5
193.10637	0.4
193.12231	1.4
197.09705	0.8
197.11298	0.2
197.13297	0.4
208.08778	0.3
209.11624	0.8
211.13263	0.5
217.12199	0.3
219.12260	0.6
221.09631	0.2
221.13795	0.8
223.11165	1.5
223.15329	0.2
225.12727	7.4
230.71901	0.2
235.13277	0.7
237.14760	0.4
239.14485	0.7
249.12827	0.3
251.14352	1.8
255.15887	0.9
267.13763	0.4
267.17462	0.8
269.15341	11.5
279.15671	0.3
283.17435	0.3
295.16858	1.2
296.26703	0.2
299.18481	0.5
311.16165	0.3
313.18011	1.2
339.57166	0.2
941.54993	0.2
946.68951	0.4
947.71045	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.5491
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	53.4
69.07064	10.5
70.06603	1.0
71.04978	2.4
71.58726	0.9
75.04462	0.9
77.03933	0.9
79.05492	42.2
79.19859	0.8
81.03423	1.3
81.07057	65.1
82.07365	0.8
83.04951	1.2
83.08627	6.2
85.02904	1.3
85.06545	2.5
91.05480	23.3
93.07045	50.0
95.04967	3.5
95.08605	53.9
97.02922	1.3
97.06527	3.9
97.10176	4.0
98.98464	62.8
99.08092	2.3
105.04521	0.9
105.07024	17.8
107.07866	1.6
107.08595	33.6
109.06518	1.7
109.10159	27.6
111.08078	1.8
111.11678	1.0
113.09626	2.3
116.99521	3.8
117.07007	6.8
119.08577	15.9
121.10145	31.6
121.11018	1.7
123.08077	1.4
123.11691	13.0
125.09586	0.9
131.08562	17.0
133.10126	11.7
135.11694	23.1
135.12717	1.4
137.09619	1.7
137.13301	5.0
139.11205	1.1
140.01102	1.0
143.08528	1.0
145.10120	13.8
147.11691	11.6
149.13257	21.0
151.11139	2.4
151.14827	2.4
153.12732	2.0
155.01039	27.2
159.11693	12.1
161.13252	10.6
162.13535	0.9
163.14818	13.9
165.12712	1.8
171.11781	0.9
173.02116	11.9
173.13264	14.6
175.14818	3.6
177.12885	0.9
177.16399	5.8
179.14351	1.6
187.14844	8.4
191.14276	1.6
198.20781	0.9
201.16374	2.5
205.15906	2.3
215.17950	1.5
219.17380	1.7
233.22604	5.1
243.21083	33.4
244.21375	1.2
261.22141	100.0
262.22525	2.4
277.21399	1.1
279.23312	1.8
299.23450	1.6
317.24799	4.9
335.25803	58.7
336.26245	1.9
353.26855	12.1
396.39679	0.9
415.22485	6.7
433.23849	1.5
453.56949	0.8
497.30710	4.3
516.46387	0.9
946.69757	1.0
947.70941	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	947.5493
Annotation	Unknow
Peak:m/z	Relative Intensity
66.79835	2.1
67.05507	53.8
69.07070	8.2
69.39050	2.8
69.39450	15.5
79.05493	29.2
81.07055	62.9
81.86816	1.8
83.08615	5.5
85.06555	2.7
86.09690	2.5
91.05486	17.2
93.07042	40.7
94.27070	1.9
95.04960	3.5
95.08607	43.3
97.06527	2.7
97.10186	3.2
98.98464	42.8
104.10709	2.9
105.07027	13.9
106.15998	1.8
107.08598	23.3
109.10152	21.8
111.92352	2.1
116.99503	2.5
117.07037	4.5
119.08580	13.2
121.10154	21.5
123.11689	9.2
131.08543	11.1
133.10141	10.2
135.11684	15.6
137.13252	4.6
145.10143	8.4
147.11722	6.9
149.13249	13.2
155.01048	12.1
159.11714	7.9
161.13271	7.8
163.14815	8.6
168.14272	1.8
173.02104	5.5
173.13252	10.6
175.14807	2.2
177.16435	4.0
187.14822	6.4
212.44405	2.3
233.22685	2.2
233.85320	2.6
243.21082	19.3
261.22168	60.3
317.24835	5.2
335.25806	100.0
336.26068	3.7
353.26947	8.7
366.07230	2.1
415.22556	2.9
497.30795	11.4
648.35181	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	946.703
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	0.4
68.05021	0.6
69.03410	0.2
69.07067	0.4
70.06586	13.3
71.04987	0.2
71.08621	1.4
71.59959	0.1
72.04522	0.1
72.08147	4.1
72.62807	0.1
73.02898	1.0
75.88068	0.1
79.05487	0.3
81.07058	0.3
82.06597	0.2
83.08632	0.4
83.25673	0.1
84.08138	5.9
85.02856	0.2
85.10179	0.6
86.06062	0.3
86.09698	7.3
87.04472	0.6
88.07621	0.9
89.06023	5.7
91.05479	0.3
93.07036	0.3
95.08621	0.2
96.08136	0.3
97.02885	0.2
97.10135	0.2
98.09696	0.2
100.07616	0.3
102.09188	0.5
107.07090	0.2
107.08582	0.2
112.07613	0.3
112.11281	0.2
114.09154	6.6
116.10747	0.2
119.08619	0.1
128.06195	0.1
130.08623	0.1
131.07143	0.1
132.10205	0.4
133.08589	0.3
139.95682	0.1
146.05989	0.2
146.11810	0.3
158.11769	0.2
176.12767	0.2
191.70776	0.2
202.14619	0.1
202.94121	0.2
246.16946	0.2
266.28653	0.2
268.29956	2.5
268.32779	0.2
282.31702	0.6
294.31540	5.3
296.33093	7.9
308.20853	0.3
310.30896	0.2
311.25940	0.2
312.32556	1.7
320.32983	0.1
333.15106	0.2
335.25787	0.2
338.34561	0.2
352.23615	0.4
356.35187	0.8
366.24997	0.5
382.36957	0.3
396.26025	0.2
400.37790	0.9
410.27722	0.3
426.39444	0.1
444.40732	0.4
454.30191	0.2
488.43069	2.2
500.16895	0.2
501.17422	0.3
532.45734	1.8
576.48260	7.2
577.48877	0.1
620.50873	7.8
621.51392	0.3
664.53412	5.4
665.54205	0.3
708.56006	1.1
752.59015	1.1
784.48895	0.5
840.63983	0.2
848.36639	0.2
946.70209	100.0
947.70270	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	943.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	22.1
69.07069	11.1
70.65288	0.7
70.65681	0.7
71.04987	0.7
71.08614	0.8
78.07376	0.3
79.05493	6.3
81.07056	21.9
82.07451	0.3
83.04984	0.7
83.08615	6.8
85.06540	1.0
87.67331	0.3
88.49794	0.4
91.05476	3.8
93.07040	6.4
95.04977	0.4
95.08605	18.9
97.06524	1.4
97.10164	3.6
98.98469	6.0
104.84029	0.3
105.07030	3.1
107.08595	3.3
109.10151	7.0
111.08075	0.7
111.11717	0.7
119.08588	2.0
121.10130	2.8
123.08099	0.4
123.11716	2.2
133.10121	2.6
135.11684	1.2
137.13260	0.9
147.11667	1.4
149.13222	0.7
155.01041	2.0
161.13274	1.3
163.14821	0.9
173.02080	0.9
187.29932	0.3
189.16451	0.5
203.06689	0.4
229.04782	0.4
245.22633	0.9
247.05811	0.5
253.18063	0.4
263.23779	1.3
274.96851	0.7
335.25546	0.6
337.27362	100.0
338.27655	2.9
339.27902	0.4
473.26492	1.5
500.80313	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.7025
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	0.6
68.05034	0.4
69.07050	0.6
70.06586	15.5
71.08626	1.2
72.04493	0.3
72.08150	4.1
73.02907	0.7
79.05499	0.8
81.03410	0.4
81.07049	0.6
82.06586	0.6
83.08636	0.3
84.08140	5.7
85.10175	0.6
86.06070	0.3
86.09698	7.8
87.04475	0.5
88.07639	0.7
89.05477	0.4
89.06023	5.8
89.06555	0.4
91.05479	0.5
93.07064	0.5
96.08117	0.4
100.07595	0.3
102.09179	0.3
105.07043	0.7
107.07067	0.3
107.08579	0.2
109.10122	0.3
114.09159	6.5
119.08617	0.3
121.06533	0.3
121.10160	0.3
130.06575	0.4
132.10255	0.3
133.08604	0.5
134.15993	0.3
144.08101	0.3
154.22583	0.3
158.11800	0.3
200.12915	0.2
206.75696	0.3
220.15489	0.5
229.51537	0.2
264.30649	0.2
268.29953	3.2
282.31644	0.6
294.31543	5.7
294.34537	0.4
296.33087	8.3
308.20972	0.3
312.32541	1.4
352.23401	0.3
356.35257	0.3
396.25912	0.5
400.37762	1.3
444.40414	2.1
454.29919	0.4
464.81885	0.3
488.43213	2.8
532.45642	4.0
576.48199	5.0
610.45697	0.3
620.50958	5.5
664.53491	3.3
708.56097	2.1
752.58636	1.6
796.60815	0.6
800.49011	0.3
946.70245	100.0
947.70703	6.7
972.75269	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	0.7
67.05507	24.5
68.05830	0.3
69.03449	0.3
69.06722	0.4
69.07069	5.1
71.04985	0.4
71.58937	0.4
79.05495	13.1
81.07058	20.4
82.07375	0.3
83.04977	0.7
83.08612	2.5
85.06570	0.6
91.05482	6.3
92.68668	0.2
93.07046	16.1
93.88013	0.2
95.04984	1.3
95.08607	16.7
97.06525	0.8
97.10175	0.9
98.98465	6.0
99.08100	0.3
100.43413	0.2
103.46449	0.2
105.07039	3.7
107.08595	7.2
109.06514	0.6
109.09464	0.5
109.10161	6.4
111.08033	0.3
117.07018	1.0
119.08588	2.8
121.10149	5.5
123.08079	0.4
123.11687	1.7
125.09628	0.3
131.08575	2.1
133.10133	2.3
135.11693	2.9
137.09726	0.2
137.13254	0.4
145.10112	1.2
147.11694	1.4
149.13269	1.5
152.20477	0.2
155.01033	1.7
159.11664	1.2
161.13268	1.0
163.14769	0.7
173.02135	1.0
173.13287	0.8
175.14798	0.4
187.14841	0.6
238.74384	0.3
243.21075	0.9
247.05797	0.7
261.22076	1.5
317.24704	0.5
335.25803	100.0
336.26083	3.0
471.25012	0.9
803.59772	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	938.5729
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05247	13.2
71.05563	10.1
80.37576	9.6
105.07022	15.9
121.84067	11.0
147.08073	11.9
230.07022	10.4
282.27960	10.1
313.27438	100.0
387.80780	9.6
420.34698	12.3
436.28210	19.6
454.29297	16.7
519.09235	10.1
648.47314	10.3
772.01648	11.3
773.81250	11.5
785.58435	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	939.499
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	1.1
67.05504	23.5
69.07071	6.1
69.85081	1.6
71.04999	0.5
73.11253	0.3
79.05016	0.3
79.05489	12.3
81.07053	22.9
83.04970	0.9
83.08620	2.4
85.06513	0.4
91.05476	6.3
93.07040	16.2
95.04958	1.3
95.08603	18.3
97.06512	1.2
97.10151	1.0
98.97857	0.6
98.98462	7.5
105.07031	4.0
107.07874	0.5
107.08588	8.0
109.06538	0.5
109.10150	7.5
111.08075	0.4
117.07037	1.6
119.08582	3.6
121.10142	5.9
123.08063	0.4
123.11687	1.6
125.09611	0.3
131.08549	2.1
133.10126	2.3
135.11687	3.2
145.10141	1.6
147.11676	1.8
149.13269	1.8
151.11064	0.4
155.01024	2.2
159.11700	1.2
161.13269	1.2
163.14830	0.8
173.02121	1.3
173.13274	1.0
175.14845	0.5
187.14812	0.3
243.21100	1.1
247.05675	0.9
261.22076	2.0
317.24677	0.7
335.25781	100.0
336.26160	2.2
471.25189	0.7
551.09515	0.3
621.69781	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.4973
Annotation	Unknow
Peak:m/z	Relative Intensity
65.12788	0.2
66.56793	0.2
67.05502	0.3
70.06587	2.6
71.59811	0.3
72.08149	0.5
78.93858	0.2
79.05473	0.2
81.03436	0.3
84.04522	0.3
84.08131	0.6
85.02906	0.4
86.09712	0.8
91.05491	0.2
93.07037	0.3
95.04966	0.2
95.06087	0.2
107.04946	1.2
109.10194	0.3
110.07187	0.5
120.08138	0.3
124.07520	0.2
129.10205	0.4
136.07576	0.3
147.03282	0.3
151.03865	0.3
160.97208	0.2
170.97237	0.2
211.26306	0.2
261.74252	0.2
317.06729	0.6
364.14529	0.2
367.07986	0.2
461.12192	0.2
469.13910	0.2
832.24170	0.5
901.53973	0.2
937.49744	100.0
938.49994	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	936.5668
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03408	0.2
71.59837	0.2
72.38808	0.1
73.02892	0.9
73.06547	1.5
77.03927	0.5
79.05484	5.6
80.44260	0.2
87.04460	9.0
89.06022	37.9
90.06345	0.3
91.05473	4.0
91.07578	0.2
93.07045	0.8
95.04967	2.7
96.35449	0.1
103.05460	5.3
105.07020	100.0
106.07369	1.2
107.04953	0.5
107.07057	2.0
113.06008	0.5
114.09061	0.1
115.05453	0.4
115.07576	0.2
116.06248	0.4
117.06997	0.7
117.09127	1.7
119.04916	0.8
119.08571	1.2
121.06493	6.0
128.06186	0.2
129.06993	1.3
130.08618	1.4
131.07053	2.9
131.08549	6.2
132.08890	0.1
133.08589	28.4
134.08923	0.3
135.08032	0.4
135.10159	0.2
141.06944	0.1
143.08493	0.2
144.08047	0.2
145.06470	0.5
147.08032	5.3
149.09615	1.7
151.09651	0.3
157.08649	0.2
159.10118	0.2
161.11685	0.4
163.11130	0.3
165.06975	0.5
165.09099	1.0
166.07732	0.6
167.08514	0.1
169.10124	0.3
171.08040	0.2
173.09636	0.3
175.09659	2.4
175.11133	0.2
177.11208	9.7
178.07739	0.3
178.11464	0.1
179.08473	0.3
179.12822	0.1
179.58856	0.1
181.10126	0.2
191.08603	0.2
191.10649	0.6
192.09381	0.3
193.10559	0.2
193.12224	0.4
195.12161	0.2
196.08710	0.2
207.11705	0.4
209.11690	0.6
211.13223	0.3
219.12224	0.5
221.13785	1.4
223.11145	1.9
223.15396	0.3
225.12718	15.5
226.13057	0.5
227.12737	0.4
235.13138	0.3
237.12683	0.2
239.14642	0.5
249.12743	0.8
251.14310	2.9
253.14058	0.2
253.16333	0.2
255.15845	0.2
265.16434	0.2
267.13919	0.8
267.17770	0.3
269.15344	3.4
271.15387	0.4
283.17438	0.6
295.17072	0.7
297.18564	0.1
301.15744	0.2
309.19083	0.3
311.16379	0.5
313.17886	1.7
315.17880	0.3
327.17166	1.2
327.20084	0.2
329.18912	1.4
339.19247	0.2
353.21542	0.2
355.20169	0.3
357.20450	0.3
357.53540	0.1
373.21600	7.7
374.21896	0.4
417.23947	0.3
445.25461	0.2
461.27182	0.2
466.36667	0.1
485.29776	0.1
505.29401	0.2
637.37421	0.1
815.46832	0.4
919.53339	0.4
936.56543	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5669
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03948	0.3
67.05496	1.5
69.03422	0.5
69.07062	0.3
69.29888	1.8
69.30315	0.5
71.04984	0.6
73.02910	1.7
73.06548	2.9
77.03925	0.8
79.05485	7.3
81.03416	1.7
81.07050	1.4
83.08622	0.6
85.02898	0.3
87.03908	0.5
87.04458	13.0
89.06021	59.9
89.25866	0.2
90.06377	0.5
91.05470	12.2
91.07597	0.2
93.07033	2.4
95.04959	4.0
95.08612	0.8
103.05459	7.6
105.07018	100.0
106.07348	1.4
107.04940	2.5
107.07061	1.5
107.08600	0.6
109.10146	0.5
111.08075	0.2
113.06013	0.5
115.05439	0.4
115.07566	0.4
116.06212	0.5
117.07008	2.4
117.09132	2.1
119.04952	1.7
119.08562	5.5
121.06494	13.5
121.10134	0.5
128.06206	1.6
129.06979	3.8
130.08644	0.9
131.07048	3.9
131.08551	10.4
132.05666	1.4
133.06561	1.0
133.08588	38.3
133.10184	1.5
134.08888	0.5
135.07990	0.4
135.10135	0.3
142.32265	0.2
145.06506	1.2
145.10007	0.2
147.08029	48.5
148.08380	0.9
149.09604	9.8
157.10100	0.5
159.08090	0.2
159.10165	0.4
161.11699	0.5
163.07478	0.3
163.11221	0.2
163.14929	0.3
165.06970	0.5
165.09096	0.9
166.07713	0.5
171.08102	0.4
173.09602	1.1
173.13161	0.2
175.09659	2.6
175.11084	0.3
177.11206	13.0
178.07819	0.3
179.08499	0.4
181.10124	2.1
191.10596	0.4
192.09300	0.4
193.10638	0.4
193.12245	1.0
205.10149	0.2
207.08174	0.2
207.11679	0.4
208.08838	0.7
209.13358	0.4
211.11130	0.2
219.12210	0.7
221.09587	0.3
221.13835	1.7
222.10385	0.6
223.11159	2.6
223.15390	0.3
225.12714	25.0
226.13033	0.6
227.12796	0.6
234.10323	0.2
237.12776	0.4
239.14847	0.6
249.12732	3.6
251.14287	3.4
253.14233	0.4
255.15936	0.3
261.22119	0.4
265.16391	0.5
267.13684	0.4
267.15948	2.6
269.15356	2.1
283.17477	0.8
293.15433	0.3
295.16882	0.4
299.18445	0.3
309.19144	0.5
311.16333	1.0
313.18036	1.3
327.17310	0.7
329.18875	0.9
335.25723	1.7
353.21542	0.3
373.16730	0.4
373.21548	6.8
374.21756	0.5
417.23776	0.3
445.25369	0.3
453.33359	0.3
527.37427	1.6
545.38519	1.7
569.37994	0.3
634.63818	0.2
727.04150	0.2
919.53180	0.6
936.55487	0.9
967.23584	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5668
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	0.2
66.66941	0.2
67.05502	1.0
69.03432	0.4
70.85146	0.7
71.04976	0.6
73.02902	1.4
73.06545	2.5
77.03916	0.7
79.05485	7.3
81.03402	1.3
81.07035	1.2
83.08612	0.5
83.18251	0.2
87.04459	13.2
89.06022	66.4
90.06352	0.7
91.05471	12.1
91.07621	0.5
93.07041	2.1
95.04967	3.7
95.08605	0.8
103.05455	7.1
105.07019	100.0
106.07369	1.5
107.04949	2.4
107.07064	1.8
107.08572	0.6
113.06000	0.6
114.98282	0.3
115.05457	0.6
115.07536	0.4
116.06229	0.6
117.07012	2.2
117.09134	2.8
117.44099	0.2
119.04911	1.4
119.08565	5.8
120.13342	0.2
121.06491	12.9
121.10117	0.6
128.06219	1.6
129.06998	3.8
130.08627	1.0
131.07050	5.2
131.08551	10.9
132.05702	1.0
133.06476	1.0
133.08591	43.7
133.10187	1.2
134.08951	0.6
135.08025	0.8
135.10089	0.5
143.08685	0.3
145.06445	1.7
145.10167	0.4
147.08032	49.3
148.08392	1.0
149.09601	11.0
157.10088	0.3
159.08057	0.3
159.10117	0.4
161.11755	0.7
163.11136	0.6
165.06973	0.4
165.09114	0.8
166.07802	0.6
173.09608	1.0
175.09688	3.6
175.11172	0.6
177.11195	16.1
179.08565	0.7
181.10069	1.9
185.62698	0.3
191.10684	1.1
192.09265	0.3
193.10469	0.3
193.12207	1.0
197.09607	0.3
203.12637	0.2
207.08228	0.3
207.11678	0.5
208.08745	0.5
209.13411	0.3
219.12202	1.2
221.09653	0.4
221.13788	2.4
222.10379	0.4
223.11151	3.2
223.15366	0.4
225.12717	28.9
226.13069	0.7
227.12752	0.4
234.10429	0.3
235.14986	0.3
237.12781	0.8
239.14845	0.4
249.12698	4.9
251.14304	4.7
261.22107	0.3
265.16473	0.3
267.13647	1.1
267.16150	1.4
269.15332	2.4
271.15244	0.3
283.17554	0.8
295.16742	0.7
309.18774	0.4
311.16354	1.1
313.17883	1.2
313.27393	1.9
315.18060	0.4
327.17117	1.4
329.18912	1.0
335.25787	1.4
353.21719	0.4
373.21561	7.9
397.24142	0.3
436.28180	0.6
445.26004	0.4
454.28876	0.7
527.37524	1.4
545.38239	1.3
919.52832	0.6
936.55646	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.551
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	2.3
67.05500	53.4
69.03426	3.3
69.07063	13.7
71.04982	2.9
71.59398	1.5
71.59801	2.0
73.02879	1.5
75.16530	1.3
79.05487	40.2
80.01368	1.5
81.03413	72.9
81.07056	55.3
83.04969	5.9
83.08614	21.4
85.02897	7.7
87.04445	3.8
89.06026	15.7
91.03954	7.8
91.05477	33.7
93.07037	47.4
95.04967	26.4
95.08601	37.0
97.02879	7.3
97.06525	4.8
97.10174	5.5
103.05473	3.8
105.07026	57.4
107.04939	8.0
107.08584	23.1
109.06516	4.3
109.10153	16.4
111.04461	1.5
111.08094	6.2
115.05462	2.3
117.07002	8.6
119.04983	1.6
119.08588	23.7
121.06501	28.0
121.10141	22.1
123.04456	1.7
123.08042	2.9
123.11672	8.3
125.09628	5.0
127.03920	1.7
129.06996	9.3
131.08559	19.3
133.06561	3.1
133.08582	11.4
133.10112	13.1
135.11674	15.2
137.09602	2.8
137.13301	1.5
141.06979	1.8
142.07787	3.6
143.08569	2.3
145.05060	1.5
145.06494	2.6
145.10120	13.3
147.04326	1.3
147.08052	15.7
147.11684	11.5
149.09618	8.5
149.13249	7.5
153.12755	1.4
155.08580	2.0
157.10158	9.5
159.11752	7.2
161.13252	4.9
163.05992	3.6
163.11131	1.7
163.14821	3.2
169.10185	1.8
171.10214	1.2
171.11649	1.9
173.11940	1.6
173.13300	5.4
175.11147	6.7
175.14885	2.3
177.11205	4.5
177.16414	1.7
178.84912	1.4
183.11635	1.7
184.13205	2.2
185.13254	2.2
187.14784	4.0
189.11203	3.5
193.12233	19.5
197.13362	1.7
207.13745	1.6
211.13214	2.4
223.13341	1.2
225.12738	6.3
225.28722	1.3
227.12675	7.1
233.22658	1.5
235.13289	3.8
243.21043	5.6
249.14772	2.2
251.14278	2.0
261.22122	20.1
267.15906	85.5
268.16306	2.4
273.14749	2.1
285.22189	2.0
301.14157	2.0
301.25183	6.9
304.18854	3.1
309.16772	3.1
317.24686	3.2
333.24124	1.8
335.25781	100.0
336.26068	3.6
353.22214	1.4
373.21420	1.9
403.24731	1.8
417.26242	1.8
421.25674	2.2
435.27310	2.2
435.32516	4.8
453.33734	11.9
461.29239	1.8
471.34552	5.5
508.22116	1.6
509.35492	1.6
527.37262	74.1
528.37512	4.9
545.38342	72.8
546.38623	3.4
555.98627	1.5
559.39917	1.8
569.38483	13.1
623.39301	2.6
635.39240	4.1
653.39948	3.5
671.41156	4.7
676.47668	9.7
707.81140	1.6
936.50305	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	935.5508
Annotation	Unknow
Peak:m/z	Relative Intensity
69.75717	1.0
73.02910	0.4
73.06552	1.5
73.63124	0.2
77.03896	0.3
79.05135	0.1
79.05486	4.7
87.04462	8.1
88.79285	0.2
89.06023	36.8
90.06346	0.2
91.05473	3.1
91.07615	0.2
93.07040	0.4
95.04961	2.4
101.24335	0.1
103.05461	4.5
105.07021	100.0
106.07368	0.8
107.05000	0.2
107.07077	1.2
113.05996	0.2
115.05439	0.2
116.06248	0.3
117.07001	0.4
117.09133	1.3
119.04961	0.4
119.08562	0.5
121.06493	3.5
124.12646	0.1
129.07005	1.1
130.08627	0.9
131.07068	2.0
131.08554	6.4
133.08591	22.3
133.10190	0.8
135.10109	0.2
145.06477	0.4
147.08032	2.9
149.09575	0.9
151.09680	0.2
155.08514	0.2
159.10220	0.2
161.11688	0.4
165.06970	0.3
165.09052	0.7
166.07784	0.4
167.08531	0.2
169.10103	0.2
173.09610	0.6
175.09691	1.3
175.11047	0.3
177.11211	6.4
179.08493	0.3
181.10123	0.5
191.10692	0.3
192.09314	0.3
207.11671	0.2
209.11711	0.4
209.13431	0.3
209.58429	0.1
211.13228	0.2
213.69856	0.1
219.12253	0.2
221.13785	0.9
222.10327	0.1
223.11209	0.9
223.15257	0.3
225.12720	7.1
227.12730	0.4
235.14836	0.3
237.12811	0.1
239.14661	0.3
249.12727	0.6
251.14297	11.8
252.14621	0.3
253.15945	2.6
255.15942	0.2
259.60187	0.2
267.13748	0.5
267.17645	0.2
269.15359	1.9
271.15341	0.2
277.15726	0.2
283.17264	0.3
295.16855	0.8
311.16330	0.5
313.17972	0.8
315.17950	0.2
327.17352	2.0
328.18442	0.2
329.18961	9.1
330.19067	0.2
353.18945	0.6
355.20367	0.3
357.20395	0.2
371.19992	0.5
373.21582	3.1
401.23312	0.2
415.22540	0.3
477.27640	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.5503
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03395	0.1
69.52699	0.1
70.01832	0.7
71.12937	0.1
73.02901	0.7
73.06547	1.7
73.51353	0.1
75.17027	0.1
77.03925	0.5
79.05483	4.9
81.03397	0.2
87.03912	0.3
87.04457	8.0
89.06020	40.0
91.05469	2.8
91.07609	0.2
91.85564	0.1
93.07040	0.4
95.04962	1.9
98.21627	0.1
103.05449	4.5
105.07016	100.0
106.07353	0.8
107.04948	0.3
107.07069	1.2
113.06016	0.2
115.05422	0.2
115.07558	0.2
115.66490	0.2
116.06194	0.2
117.06994	0.5
117.09119	1.3
119.04951	0.4
119.08566	0.5
121.06490	3.5
127.87373	0.1
128.06157	0.2
129.06985	1.2
130.08606	0.8
131.07057	2.4
131.08548	7.2
133.08586	24.2
133.10197	0.6
135.10115	0.2
145.06502	0.4
147.08025	2.3
149.09554	1.1
161.11664	0.2
165.07011	0.3
165.09094	0.7
166.07774	0.4
169.10141	0.2
173.09613	0.5
175.09695	1.1
175.11052	0.3
177.11201	6.9
179.08554	0.4
180.09334	0.2
181.10107	0.6
191.10654	0.3
192.09328	0.2
193.10262	0.2
193.12178	0.2
195.07880	0.2
197.09518	0.2
207.11708	0.3
208.08717	0.2
209.11649	0.4
209.13318	0.3
219.12163	0.3
221.13750	0.8
223.11169	0.9
225.12709	6.7
227.12721	0.4
235.14951	0.2
249.12787	0.5
251.14284	12.6
252.14534	0.2
253.15926	2.8
256.18375	0.2
267.13675	0.6
267.17581	0.2
269.15314	1.9
271.15390	0.2
279.16241	0.1
283.17453	0.3
295.16885	0.6
309.18912	0.2
311.16510	0.5
313.17950	1.0
315.17816	0.3
327.17303	1.6
329.18942	9.8
330.19162	0.3
353.18857	0.5
355.20285	0.5
357.20309	0.2
371.19788	0.4
373.21600	3.3
374.21939	0.2
375.21603	0.2
403.23080	0.2
416.86206	0.2
417.23575	0.2
477.27881	2.3
503.97601	0.1
505.29056	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.5912
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	6.2
69.07068	11.8
71.08633	4.9
71.59001	0.9
79.05484	2.8
81.07058	8.9
83.08612	9.1
85.10181	2.4
93.07032	3.6
95.08607	10.6
97.06531	1.8
97.10171	6.5
98.98479	1.3
107.08612	3.2
109.10145	5.6
111.08089	0.8
111.11719	1.0
116.23687	0.6
121.10165	3.1
123.11674	2.3
135.11676	2.6
145.03868	0.6
149.13261	1.4
152.21114	0.6
155.01039	1.9
192.86967	0.7
216.06363	1.4
265.25302	1.0
282.27893	3.0
308.29538	2.4
313.27353	29.3
314.27615	1.1
316.75043	0.7
339.28940	100.0
340.29218	3.6
393.23987	1.9
399.35965	0.8
436.28204	7.2
437.28644	0.7
454.29306	7.9
480.30682	3.1
828.18073	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.5569
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	0.6
66.89503	0.4
67.05501	13.6
69.03426	9.7
69.07063	5.9
70.06591	0.6
71.01332	1.6
71.04978	2.0
71.08618	0.6
71.59517	0.7
73.02912	7.6
79.05485	9.0
81.03415	3.4
81.07052	12.8
83.04978	1.3
83.08617	3.7
85.02901	19.6
85.06512	0.9
87.04447	1.0
89.06027	0.7
91.03952	10.7
91.05471	9.1
93.07043	10.4
95.04970	2.1
95.08597	10.5
97.02885	19.3
97.06530	1.3
97.10149	2.0
99.04452	1.7
101.02377	1.8
103.05455	0.8
105.07024	9.6
107.04945	1.2
107.08588	6.5
109.02876	1.6
109.06511	1.1
109.10146	4.6
111.08082	0.9
114.40677	0.5
115.03911	0.9
115.05464	0.8
117.07014	5.0
119.08572	7.8
121.06513	1.1
121.10141	3.9
123.08025	0.7
123.11720	1.1
125.09602	0.8
127.03910	5.1
128.06187	2.5
129.07002	6.7
131.08571	7.3
133.08614	0.6
133.10126	5.0
135.11655	3.3
139.11197	0.6
141.06996	3.2
142.07735	1.3
143.08554	8.0
144.09402	0.5
145.04947	3.8
145.10104	7.2
147.11685	3.9
149.13237	1.3
153.06992	1.2
154.07759	1.2
155.08548	7.5
156.09348	1.2
157.10135	7.9
158.10860	0.7
159.11656	5.2
161.13283	1.9
163.05994	1.6
163.11281	0.5
163.14766	0.8
165.07028	1.1
166.07750	0.6
167.08545	3.2
168.09372	0.5
169.10115	8.6
170.10849	1.0
171.11670	6.8
173.13243	4.1
175.14809	1.0
179.08548	2.0
180.09274	0.5
181.10133	4.8
182.10907	1.0
183.11693	7.9
185.13211	4.9
187.14792	2.0
189.16391	0.8
191.08669	0.5
193.10204	2.4
194.10989	0.6
195.11697	5.2
196.12531	0.7
197.13251	7.0
199.14830	3.2
201.16348	1.0
205.10153	0.5
207.09979	0.6
207.11618	2.3
209.13240	4.8
211.11435	0.5
211.14807	4.7
213.16336	2.0
217.10243	0.6
219.11702	1.3
221.13335	2.0
221.15465	0.5
223.14786	2.6
225.16400	2.9
227.17961	1.9
233.13196	1.1
235.14857	1.2
237.16379	2.4
239.17963	1.5
241.19490	0.6
245.13168	0.6
247.14853	1.0
249.16531	1.2
251.17929	1.4
253.19604	1.1
257.13446	0.4
261.16449	0.8
263.17996	0.7
265.19485	0.8
273.16028	0.5
279.20978	0.6
281.19104	0.7
281.22565	0.5
283.20450	0.8
293.22925	0.5
295.20627	0.6
297.22058	0.4
299.20105	0.5
299.23633	0.6
309.22058	0.6
313.27478	1.8
319.20563	0.6
321.22025	0.5
323.23657	0.5
325.21643	0.4
325.25299	0.6
325.36728	0.4
337.25336	1.1
339.23410	0.5
341.24579	0.5
347.23700	0.6
351.26923	0.8
363.27112	0.6
377.28668	0.9
379.26172	0.5
379.30344	0.5
393.31714	0.5
403.30591	0.5
407.29541	0.6
409.31378	0.6
447.31711	1.0
461.34476	0.5
495.34952	0.5
501.35825	0.7
507.75186	0.5
513.35608	0.7
517.40338	3.6
525.35034	0.5
527.37567	0.7
535.41833	2.0
539.37335	1.9
541.38831	1.4
553.39374	0.6
573.42871	0.8
591.44067	5.5
607.43909	3.0
609.45093	100.0
610.45441	3.6
611.46930	0.6
619.43915	0.6
621.44922	1.9
627.46973	0.5
633.45239	1.3
645.44177	0.5
651.46307	2.2
663.45673	0.8
675.45831	0.9
693.47650	0.8
699.45886	1.0
717.47113	1.4
735.48279	2.1
753.49341	3.2
771.50409	26.9
772.50348	1.0
932.71655	2.5
933.55084	6.0
933.71417	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.546
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05177	0.3
67.05505	3.7
69.06718	0.3
69.07068	3.3
71.04967	0.3
71.08632	9.5
71.33643	0.4
71.51086	0.1
79.05498	0.6
81.07054	5.4
83.08145	0.2
83.08619	3.5
85.10178	6.0
89.06049	1.0
91.05496	0.3
93.07044	0.7
95.08604	7.4
97.06533	0.2
97.10164	2.0
98.98457	4.1
99.11757	0.3
103.07561	0.6
106.09623	0.2
107.08567	0.3
109.10154	4.1
111.11703	0.4
113.00020	1.6
121.10002	0.2
123.11745	1.3
131.15787	0.2
135.11641	0.2
136.99973	0.3
137.13231	0.6
147.13371	0.2
155.01044	1.8
159.13853	0.2
169.02623	1.8
173.02110	0.4
193.94548	0.2
221.22591	0.2
239.23662	1.2
247.05800	0.4
257.24698	1.5
263.23807	0.3
291.37271	0.2
313.27350	100.0
314.27740	1.7
337.27338	6.2
393.23923	0.8
449.26627	3.4
568.24121	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.5206
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	4.1
67.05497	73.1
69.03422	8.6
69.06728	1.7
69.07059	24.7
70.06584	2.1
70.21941	1.7
71.04980	5.5
72.17603	1.8
73.02903	4.3
76.01247	1.9
77.03902	1.9
79.05483	100.0
81.03410	18.6
81.07045	72.0
83.04983	16.2
83.08606	16.7
85.02879	11.4
85.06525	6.1
91.03937	4.0
91.05470	78.1
93.07034	90.5
95.04964	27.7
95.08599	44.1
95.09143	1.1
97.02851	7.8
97.06522	19.8
97.10134	12.8
99.04472	2.3
103.05436	2.0
105.04494	3.7
105.07015	62.5
107.04958	16.0
107.08582	43.7
109.02856	2.8
109.06500	11.5
109.10152	16.6
111.08084	3.3
115.05467	3.9
117.06998	20.9
119.07782	3.3
119.08569	43.2
121.06487	5.5
121.10131	15.6
123.08032	5.9
123.11680	3.3
125.09611	8.5
128.06262	2.8
129.06984	21.4
130.07773	1.6
131.08551	17.2
133.10095	24.1
135.08034	6.2
135.11681	12.6
137.09579	2.4
141.06949	3.1
143.08565	14.9
145.04967	3.4
145.10107	23.4
147.07996	5.2
147.11665	40.0
149.09615	13.1
149.13228	7.5
151.11076	2.7
152.16428	2.0
155.08507	3.8
156.09306	1.8
157.10110	3.2
159.11665	11.1
161.09618	4.0
161.13255	11.8
163.06017	1.9
163.11200	12.2
169.10048	2.5
171.11674	26.3
173.04442	4.0
173.13297	5.5
177.12756	4.5
179.14285	2.8
183.11641	2.5
189.11237	3.9
189.12738	10.3
195.13786	1.9
207.13780	20.7
225.14870	2.6
227.12758	13.4
239.17918	3.3
241.39650	2.1
253.14317	2.3
255.15837	4.3
257.18973	10.0
269.17468	12.9
275.20032	34.7
281.17438	78.0
349.23737	20.7
367.24612	2.5
435.27222	7.4
451.26819	6.6
459.31122	2.6
461.28973	25.3
475.30496	91.1
515.73511	1.9
527.36700	2.4
537.35663	5.1
555.36755	75.1
556.36890	2.1
573.37994	10.5
619.34534	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	930.7077
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	0.3
68.05031	0.6
69.07070	0.5
70.06584	14.3
71.08620	1.4
71.60262	0.3
72.08147	3.9
72.35085	0.1
73.02919	0.9
73.06569	0.2
73.08519	0.1
73.14965	0.2
78.72662	0.1
79.05492	0.3
81.07056	0.2
82.06582	0.3
83.08619	0.2
84.08133	5.4
85.10175	0.7
86.06059	0.2
86.09693	7.0
87.04453	0.7
88.07617	1.0
89.06020	6.2
91.05481	0.2
93.07050	0.3
95.08616	0.2
96.08131	0.4
97.10191	0.2
98.09699	0.3
100.07632	0.4
102.09180	0.6
105.06982	0.3
114.09155	7.0
115.34476	0.2
126.65026	0.2
130.08664	0.1
132.10219	0.6
133.08618	0.5
142.21651	0.1
158.11829	0.2
176.12833	0.3
190.14389	0.2
202.14528	0.2
246.17120	0.2
264.18149	0.3
278.19754	0.2
296.30011	0.3
296.33102	2.4
296.36127	0.2
308.20703	0.3
310.34778	0.4
322.34637	6.1
324.36209	8.2
325.36719	0.2
338.34213	0.3
340.35687	2.2
352.23480	0.5
366.24994	0.5
368.39096	0.2
374.23102	0.2
384.38254	1.4
396.26099	0.5
410.27518	0.4
410.39822	0.2
428.40906	1.6
472.43677	0.8
508.06622	0.2
516.46155	3.1
516.53119	0.2
532.32739	0.2
560.48834	2.8
604.51385	8.4
605.51318	0.3
648.54004	7.5
649.54419	0.2
692.56555	1.8
704.50891	0.5
736.59113	1.6
780.61475	0.2
824.64355	0.3
868.67090	0.2
912.70361	0.2
930.70758	100.0
931.70972	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	929.48
Annotation	Unknow
Peak:m/z	Relative Intensity
69.00876	0.2
70.72982	0.4
70.73307	0.3
71.90809	0.2
73.60326	0.2
96.72320	0.2
105.07027	0.5
107.36691	0.2
127.01585	0.3
136.15175	0.2
137.72990	0.2
171.04233	0.3
171.88261	0.2
183.18953	0.2
200.19920	0.2
215.06863	0.4
391.17261	0.2
637.29962	0.2
929.48010	100.0
930.48242	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	930.7079
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05024	0.5
69.07070	0.4
70.06585	11.7
70.09581	0.8
70.10004	0.3
71.04990	0.4
71.08620	1.3
72.08149	3.5
73.02920	0.5
79.05495	0.4
81.07043	0.2
83.08607	0.3
83.09552	0.2
84.08138	4.7
84.08607	0.4
85.10191	0.7
86.06059	0.4
86.09695	6.3
87.04482	0.6
87.04994	0.2
88.07639	0.8
89.06023	4.7
89.06544	0.3
91.05482	0.2
93.41210	0.2
96.08133	0.4
100.07621	0.5
102.09170	0.3
105.07044	0.5
114.09155	5.9
119.97974	0.2
133.08604	0.4
211.88699	0.2
220.15436	0.4
220.81921	0.2
245.14407	0.2
264.18164	0.2
296.33020	2.0
308.20761	0.3
310.34937	0.4
313.27414	0.3
322.34613	5.6
324.36212	6.5
324.39841	0.4
340.35712	1.4
348.38525	0.2
352.23294	0.5
366.25089	0.2
373.91144	0.2
384.38385	1.2
396.25742	0.3
413.47205	0.2
428.41095	1.0
435.92734	0.2
472.43588	2.3
516.46179	2.9
560.48804	4.8
604.51349	5.1
648.54077	4.6
692.56512	3.5
736.59540	1.8
780.62262	0.7
912.69745	0.2
930.70770	100.0
931.70935	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	928.5668
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	6.8
69.07068	12.3
71.08619	1.1
71.59020	1.1
79.05469	1.5
81.07059	8.6
82.99891	0.7
83.08614	8.2
85.10183	1.1
93.07028	3.6
95.08606	9.1
96.71597	0.8
97.06557	1.2
97.10175	5.3
98.98466	4.8
100.63403	0.8
107.08579	2.2
109.10154	3.6
111.08110	1.0
111.11717	1.2
121.10139	3.4
123.11728	1.2
124.01600	1.7
135.11671	2.5
142.02588	1.1
149.13278	1.3
155.01054	4.6
197.55487	0.8
198.05264	1.5
207.51514	0.8
216.06274	2.8
265.25311	3.8
308.29517	11.8
339.28934	100.0
340.29230	3.3
361.88181	0.9
390.82617	0.9
419.25583	6.7
462.29813	23.5
480.30841	24.1
644.25531	1.0
785.04156	0.9
908.15137	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.5353
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	17.3
69.07072	8.6
70.22636	7.5
79.05487	3.8
81.07056	17.0
82.78834	1.4
83.01526	1.4
83.08604	2.7
91.05468	3.6
93.07034	3.9
95.08601	14.0
97.06557	1.5
97.10155	2.0
98.98466	6.2
105.07027	3.2
107.08572	3.5
109.10150	6.0
115.25572	1.5
119.08607	2.9
121.10097	3.3
121.50603	1.4
123.11724	3.6
137.19061	2.0
155.01051	2.7
216.06349	3.0
245.22658	2.6
253.06288	1.6
263.23688	6.0
306.27927	13.3
319.26022	1.5
337.27347	100.0
338.27844	2.8
415.36838	1.9
417.24084	3.1
460.28244	29.6
478.29324	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.5611
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07040	0.5
69.30393	3.0
69.30814	1.2
73.06565	0.6
79.05482	3.7
79.45394	0.4
81.07052	0.4
87.04465	6.1
89.06021	24.4
90.86239	0.4
91.05469	2.5
93.07059	0.7
95.04948	1.8
95.63908	0.4
103.05446	3.0
105.07018	100.0
106.07346	0.7
107.07060	1.1
117.06976	0.7
117.09141	0.6
121.06532	2.7
129.06979	1.0
130.08646	1.0
131.07001	1.6
131.08549	8.7
133.08583	15.0
147.08061	1.1
157.10080	0.5
165.09074	0.9
167.08498	0.4
173.86218	0.4
175.09604	0.5
177.11201	6.2
181.10144	1.1
191.05534	0.4
191.10663	0.4
194.10944	1.4
209.13248	16.7
211.11156	0.5
217.33392	0.4
219.12340	0.4
221.13800	0.9
223.11098	0.6
225.12700	3.3
226.60567	0.4
235.14917	0.6
237.12746	0.9
239.14818	0.7
251.14301	2.3
269.15384	1.8
279.32245	0.4
283.17593	0.5
295.16849	0.6
313.17941	1.5
315.17505	0.7
329.19144	1.9
355.20636	1.6
373.21347	2.0
417.58261	0.5
433.25082	1.4
477.27838	1.0
491.28543	0.9
551.31677	0.5
595.34943	2.2
607.10864	0.4
699.40857	0.9
780.08215	0.4
889.78436	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.5354
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	0.5
67.05501	13.3
69.07069	10.1
69.64456	2.5
71.08630	0.6
77.53840	0.3
79.05492	3.9
81.07053	15.9
83.04950	0.5
83.08619	6.1
85.06561	0.6
91.05451	2.7
93.07053	3.5
95.04940	0.7
95.08604	11.8
97.06538	1.2
97.10156	2.4
98.21558	0.7
98.98462	0.4
105.06995	2.3
107.08598	2.6
109.10152	4.6
111.08085	0.7
111.11726	0.7
119.08553	1.7
119.68861	0.4
121.10183	2.2
123.11726	1.7
124.01638	0.5
133.10123	2.4
135.11664	0.8
137.13257	0.9
147.11649	1.0
161.13278	0.8
163.14885	0.4
175.14838	0.6
184.07344	0.6
216.06387	0.6
263.23715	1.1
306.27844	2.2
337.27362	100.0
338.27658	3.5
349.72684	0.5
460.28030	0.7
478.29095	1.9
603.94659	0.3
783.46692	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	1.9
67.05488	2.9
68.44997	1.7
70.06590	12.5
71.60155	3.0
79.05489	5.8
80.05016	2.6
81.03394	4.7
81.07053	3.2
82.06553	1.7
83.06113	1.6
86.06078	1.8
86.09676	2.7
91.05477	4.7
93.07030	6.9
94.06555	8.3
95.04962	2.5
95.07339	3.5
96.08119	15.1
97.02882	1.8
97.06538	2.0
98.06066	1.9
105.07005	2.1
106.06569	2.9
107.04952	17.0
108.08100	15.7
110.09683	26.3
120.04470	2.4
120.08089	25.4
121.06625	2.0
122.05991	5.5
122.09676	2.0
124.07579	6.4
128.46445	1.9
132.18953	1.5
133.10098	1.6
136.07568	16.6
138.09128	41.2
144.08075	1.6
148.07591	11.9
150.09052	2.3
152.07072	5.6
164.06979	3.2
166.08627	68.9
178.98605	1.9
194.02783	2.5
204.01160	16.0
209.10843	2.0
211.12311	3.0
221.10684	2.8
222.02232	7.3
222.11324	2.3
223.12222	2.5
224.13277	1.8
225.10248	2.6
225.13870	2.5
227.11803	3.0
235.08566	3.0
236.03848	2.6
236.09381	2.6
237.10291	11.4
238.10948	6.1
239.11734	6.8
247.08714	2.6
247.14542	2.4
248.09567	4.6
249.10243	19.2
250.10974	16.2
251.11768	24.2
252.12265	3.4
253.09813	2.8
253.13298	2.7
255.11559	3.5
261.10245	11.3
262.11066	5.7
263.07944	2.3
263.08716	2.8
263.11795	42.6
264.09073	1.8
264.12424	4.9
265.09937	8.7
265.13190	11.4
266.10397	1.7
267.11273	5.8
267.15707	2.1
269.07361	4.2
269.12875	4.1
270.08197	5.8
271.08948	2.3
272.12827	8.9
273.12488	2.2
277.09735	15.6
278.10513	3.7
279.11258	42.8
280.12027	4.5
281.12833	7.9
283.08838	4.1
284.09811	3.5
289.09616	12.0
290.10522	3.8
291.11243	32.4
292.11972	6.9
293.12759	11.0
295.10788	11.7
296.11420	2.4
297.12360	14.6
305.09158	2.9
307.10754	11.3
309.12354	32.9
310.05362	6.5
311.13828	5.2
315.08344	2.1
317.06305	2.8
317.09467	2.9
319.10815	7.2
321.12314	1.8
323.10245	3.5
323.13608	3.2
324.11035	2.9
325.11893	11.0
328.14481	2.1
329.09567	5.2
331.11035	3.2
335.10226	17.8
336.11060	12.7
337.11859	24.3
341.09369	2.3
342.16058	4.1
347.10651	2.6
353.11267	11.0
355.12811	14.2
356.13910	3.1
357.08899	4.6
357.14374	8.4
358.15289	2.1
367.12860	17.4
368.13766	3.1
369.09183	1.8
369.14456	6.4
370.15335	2.3
385.15448	2.1
389.11346	4.9
403.19125	8.2
404.19724	2.6
410.15289	2.3
411.13861	2.1
415.16663	1.7
416.19809	3.0
428.16156	1.9
429.14078	2.2
430.17575	3.4
432.19025	2.2
438.14514	2.2
442.17902	2.7
444.19073	6.6
456.15442	2.3
460.18466	7.2
461.17291	2.3
462.20456	12.1
463.13205	2.3
464.22070	8.6
470.16815	2.9
472.18600	4.1
474.16473	2.4
476.16415	2.3
488.18188	27.7
489.18753	6.0
490.19763	31.3
492.17816	6.2
494.17505	2.1
496.18842	4.8
506.19223	39.8
508.20804	2.8
520.20752	100.0
521.21326	10.0
522.22418	72.0
538.21844	14.6
540.17889	3.2
554.19635	7.5
568.24066	3.9
582.22180	13.3
594.22205	2.0
601.26184	5.4
609.23730	9.7
614.25995	2.5
616.20734	2.1
626.24475	4.3
627.24463	23.8
628.20917	4.7
637.23163	2.1
644.61920	2.1
645.25482	73.9
645.36292	3.6
646.24036	2.0
659.26086	2.5
661.23053	3.7
677.28333	9.4
679.24249	36.1
711.27191	10.4
732.29413	1.9
785.27887	3.1
923.47522	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	923.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05448	0.5
69.03370	0.2
69.07021	0.3
69.64866	0.3
69.65274	0.9
70.04071	3.6
79.05441	0.6
81.03329	0.2
81.07001	0.7
83.08573	0.2
85.02847	0.3
91.05421	0.7
91.05964	0.2
93.06985	0.5
95.08546	0.3
97.02831	0.2
97.06447	0.2
105.06968	0.5
107.04900	0.3
107.08535	0.3
109.10104	0.2
121.10097	0.3
121.85456	0.1
129.75946	0.2
130.53938	0.2
145.10117	0.2
147.11664	0.2
157.10152	0.2
163.11208	0.2
177.59727	0.2
179.17058	0.2
227.12794	0.2
249.10944	0.3
300.10977	0.2
308.15170	0.7
309.15433	0.4
310.14951	1.2
311.15231	0.5
405.13477	0.3
456.09985	0.2
468.10367	0.9
469.11087	0.4
470.12021	0.4
471.12659	0.3
481.12503	0.2
482.11899	0.9
483.12628	5.1
484.13348	0.8
495.14767	0.3
496.14734	0.9
497.06711	0.3
497.14206	11.6
498.14987	30.6
499.15305	1.3
528.12500	0.2
539.15277	0.3
543.15326	0.9
555.16870	1.0
556.16510	0.3
557.16302	42.3
558.16504	1.5
598.16412	0.3
601.15607	0.5
614.17896	2.4
615.17480	0.7
616.17615	100.0
617.17963	4.3
629.23737	0.3
633.19293	0.3
634.18665	0.5
657.20258	3.0
658.19580	0.3
846.58136	0.2
873.45197	0.2
922.54675	0.4
923.02203	0.2
923.45709	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	921.5233
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	0.1
70.06584	1.5
70.23852	0.1
70.38705	0.1
72.08142	0.3
73.02937	0.1
73.66918	0.1
79.05475	0.2
81.03431	0.2
84.04509	0.2
84.08144	0.4
85.02899	0.3
86.02752	0.1
86.06081	0.1
86.09701	0.6
87.04450	0.2
91.05498	0.2
95.04980	0.2
97.02904	0.1
97.06539	0.1
98.06040	0.3
98.20663	0.3
107.04974	0.6
110.07178	0.3
111.04238	0.2
120.08129	0.3
121.02873	0.2
127.03716	0.3
129.10269	0.2
133.08644	0.1
136.07574	0.2
163.03806	0.2
218.04688	0.1
257.45068	0.1
267.11221	0.1
267.16095	0.2
307.77826	0.2
327.05002	0.2
331.17560	0.2
391.14041	0.2
459.27588	0.2
921.52289	100.0
922.52539	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	920.5571
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	2.4
67.05500	49.7
69.07068	8.6
69.70017	3.2
69.70432	7.9
71.04990	13.9
73.02895	3.7
73.20618	1.3
79.05489	33.0
81.03424	1.5
81.07050	74.2
83.04976	2.1
83.08603	6.5
84.32523	1.5
85.02892	10.0
85.06534	5.4
87.04467	3.1
89.06028	4.8
90.88083	1.3
91.03928	5.9
91.05475	23.2
93.06477	2.3
93.07040	34.7
95.04945	4.5
95.08597	23.8
97.02869	5.4
97.06535	3.0
97.10169	2.4
99.08054	1.7
105.07018	20.4
107.08585	16.5
108.71407	1.4
109.06493	1.8
109.10172	10.0
111.08028	1.6
117.06991	4.0
119.08586	7.6
119.76103	1.5
121.10136	10.8
123.11690	12.0
127.03929	2.0
131.08568	6.8
133.08467	1.4
133.10127	12.3
134.35509	1.7
135.11697	6.7
145.04936	2.9
145.10098	4.6
147.11670	3.5
149.13231	4.3
151.11157	6.5
159.11670	6.2
161.13155	1.5
163.05984	2.5
173.13284	2.0
183.13785	2.5
187.13278	2.2
195.13843	1.9
209.38106	1.5
269.17447	4.8
301.20132	10.7
320.83481	1.7
335.25748	23.4
445.24881	1.7
503.37311	66.8
504.37848	3.2
517.39154	3.6
529.38837	15.4
561.41443	100.0
562.42017	2.6
837.02637	1.5
920.50549	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	919.5773
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	5.7
67.05504	87.0
69.03428	66.3
69.07066	17.6
70.06589	1.5
70.85724	4.2
70.86075	1.8
71.04998	15.5
73.02902	5.3
77.03829	1.5
79.05489	58.7
80.02453	1.5
81.03417	100.0
81.07053	93.3
82.03823	1.6
82.24830	1.4
83.04974	5.9
83.08616	7.9
85.02901	24.5
85.06516	3.2
87.04427	2.1
91.03951	3.7
91.05480	42.4
93.07043	75.9
95.04967	12.7
95.08603	75.5
97.02889	40.6
97.06520	6.5
97.10157	4.0
98.98457	1.8
99.04452	29.2
101.02386	3.1
103.03936	5.2
103.05461	1.7
105.07024	29.3
107.04982	2.1
107.08589	34.5
108.08894	1.5
108.58187	1.5
109.02878	33.5
109.06518	5.1
109.10150	36.8
111.04448	5.5
113.09676	2.0
117.05438	1.9
117.07002	13.8
119.08586	24.8
121.10135	35.0
123.04444	3.5
123.08046	2.5
123.11711	18.8
127.03916	73.4
129.05475	3.3
129.06989	3.4
129.41783	1.7
131.08569	23.9
133.06439	1.6
133.10117	17.4
135.11687	24.7
137.09610	4.6
137.13239	5.7
143.08545	2.6
145.04951	4.9
145.10123	15.3
147.11710	11.7
149.09674	2.7
149.13269	16.8
151.11191	2.8
151.14806	2.9
153.05432	1.7
154.82375	1.7
157.10196	1.9
159.11729	16.1
161.13281	11.1
161.74573	1.5
163.11189	3.3
163.14813	10.7
165.12787	1.8
169.10197	2.6
171.11594	3.6
173.04454	42.3
173.13229	16.0
175.14841	3.4
177.12732	3.3
177.16389	2.7
183.11591	1.9
185.13347	2.1
187.14864	7.7
189.12848	2.0
197.13336	2.2
233.22672	3.1
243.21072	16.1
246.63194	1.7
259.20642	2.7
261.22137	47.4
261.24890	3.3
271.07910	2.7
277.21750	2.8
279.23181	6.2
301.21481	2.3
303.23264	2.7
335.25790	82.8
336.25955	4.2
351.23370	2.9
353.26736	3.1
363.25253	22.1
364.25500	1.9
369.24338	5.1
387.25357	2.5
405.26599	4.4
591.95129	1.9
629.19519	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5406
Annotation	Unknow
Peak:m/z	Relative Intensity
63.67978	0.2
73.02914	0.6
73.06549	2.2
77.03916	0.4
79.05486	4.8
87.03917	0.4
87.04461	10.1
89.06021	41.8
89.31010	0.2
91.05469	4.0
91.07597	0.3
93.07039	0.9
95.04949	2.1
103.05458	5.5
105.07019	100.0
106.07343	0.6
107.04948	0.6
107.07047	1.8
115.05428	0.5
115.07515	0.3
116.06213	0.3
116.95029	0.2
117.07037	0.7
117.09133	1.5
119.04966	0.5
119.08564	1.3
121.06493	6.9
128.06224	0.3
129.06982	1.5
130.08643	0.9
131.07053	3.0
131.08545	5.4
131.09494	0.3
133.08591	24.0
133.10204	0.6
145.06523	0.5
147.08025	4.1
149.09608	1.5
151.09590	0.3
155.08521	0.3
161.11761	0.3
165.07033	0.6
165.09131	0.9
166.07820	0.5
169.10156	0.3
173.09604	0.4
175.09656	1.5
175.11108	0.4
177.11211	5.7
178.07814	0.2
191.10722	0.6
207.11626	0.3
209.11633	0.6
211.13251	0.4
221.13800	0.5
223.11125	1.6
223.15128	0.2
225.12720	13.0
226.13173	0.4
227.12901	0.4
239.14711	0.5
249.12637	0.6
251.14267	2.3
253.15938	0.4
255.15782	0.3
267.13800	0.7
269.15338	3.2
271.15448	0.4
295.16986	0.6
301.63217	0.3
311.15970	0.3
313.17657	0.6
327.17377	0.9
329.19083	0.6
373.21576	5.5
577.56409	0.3
627.85712	0.3
656.74615	0.3
741.10590	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5405
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	0.2
73.02923	0.7
73.06551	1.9
77.03920	0.5
78.06921	0.2
79.05488	4.8
87.03922	0.4
87.04459	10.2
89.06023	42.1
91.05471	3.9
91.07553	0.3
93.07033	0.9
95.04958	2.1
103.05463	4.6
105.07021	100.0
106.07343	1.1
107.04957	0.4
107.07060	1.6
113.05988	0.3
115.07644	0.2
116.06215	0.4
117.07034	1.0
117.09136	1.6
119.04919	0.5
119.08563	1.1
121.06493	5.7
128.06160	0.2
129.06992	1.1
130.08653	1.3
131.07054	2.8
131.08557	6.0
133.08591	27.8
133.10207	0.8
135.08084	0.3
135.10185	0.3
145.06491	0.6
147.08034	3.6
149.09605	1.3
155.08522	0.4
157.08725	0.2
161.11711	0.4
163.11240	0.4
165.07010	0.6
165.09082	1.1
166.07687	0.3
169.10107	0.3
173.09631	0.5
175.09718	1.5
175.11066	0.3
177.11209	7.2
179.08527	0.2
181.10101	0.2
191.10672	0.5
192.09410	0.3
193.12306	0.4
207.11745	0.3
209.11659	0.5
211.13260	0.3
219.12274	0.2
221.13852	1.2
221.40633	0.2
223.09198	0.3
223.11162	2.2
225.12724	15.1
226.13126	0.3
227.12778	0.2
229.64024	0.3
235.13170	0.3
249.12715	0.9
251.14319	2.8
255.15929	0.4
267.13724	0.5
269.15363	3.1
295.16837	0.9
301.15799	0.3
311.16428	0.6
313.17874	0.9
327.17245	1.1
329.18939	0.7
373.21613	6.1
395.47202	0.2
580.73785	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5404
Annotation	Unknow
Peak:m/z	Relative Intensity
63.90674	0.2
65.03926	0.4
69.03424	0.4
71.04982	0.3
73.02900	1.5
73.06550	3.2
73.53345	0.2
77.03923	0.6
79.05482	6.8
81.03389	0.3
81.07045	0.4
86.09737	0.2
87.04456	14.8
89.06018	67.9
90.06368	0.3
91.05466	13.9
91.07592	0.4
93.07040	1.9
95.04953	3.0
98.20613	0.4
103.05451	8.3
103.06134	0.5
105.07014	100.0
106.07368	0.9
107.04947	2.7
107.07043	2.4
113.06016	0.6
115.05433	0.6
115.07540	0.3
116.06224	0.8
117.06997	2.2
117.09137	2.3
119.04959	1.3
119.08566	6.6
121.06487	12.9
128.06194	1.7
129.06992	4.9
130.08629	1.9
131.04950	0.3
131.06035	0.3
131.07060	4.0
131.08549	10.9
132.05669	1.5
133.06465	1.0
133.08583	38.4
133.10179	1.3
134.08977	0.4
135.08067	0.9
145.06473	1.9
145.10063	0.3
147.08023	51.6
148.08430	0.5
149.09599	10.0
157.10088	0.3
159.10075	0.4
161.11696	0.5
163.07457	0.4
163.11186	0.7
165.06976	0.7
165.09117	1.0
166.07761	0.6
171.08092	0.3
173.09618	1.2
175.09634	2.2
175.11026	0.5
177.11201	9.8
178.07719	0.3
179.08603	0.5
181.10100	2.1
191.10634	0.9
192.09294	0.5
193.12157	0.6
207.11731	0.4
208.08806	0.8
209.11621	0.4
219.12158	0.3
221.13835	1.2
222.10394	0.4
223.11180	2.6
223.14906	0.2
225.12714	24.2
227.12663	0.3
237.12737	0.4
239.14818	0.5
249.12726	3.9
251.14275	3.5
255.15846	0.3
267.13721	1.0
269.15305	1.8
271.15460	0.5
277.15637	0.2
293.14780	0.2
295.17010	0.4
299.18387	0.4
311.16278	0.8
313.17844	0.9
315.17819	0.3
327.17291	0.6
329.18970	0.8
341.19275	0.2
373.21573	4.9
628.89905	0.3
714.34558	0.2
807.76093	0.3
853.90753	0.3
919.66022	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5405
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	0.3
67.05515	0.4
68.56023	0.2
69.03423	0.6
70.06574	0.2
70.80845	0.2
71.04985	0.5
72.08144	0.3
73.02902	1.3
73.06549	3.0
77.03931	0.6
79.05482	5.7
81.03408	0.4
81.07050	0.4
86.09734	0.3
87.04458	16.6
89.06020	69.1
90.06312	0.2
91.05470	11.7
91.07588	0.5
93.07029	2.3
95.04958	3.0
98.21570	0.5
103.04769	0.4
103.05458	7.2
105.07017	100.0
106.07357	0.9
107.04941	2.3
107.07058	3.1
107.08591	0.3
113.06019	1.1
115.05462	0.7
115.07592	0.5
115.10126	0.2
116.06224	0.7
117.06994	2.2
117.09117	2.9
119.04938	1.5
119.08566	6.4
121.06492	13.1
121.10117	0.3
128.06219	1.7
129.06998	5.0
130.08624	1.9
131.04886	0.3
131.07054	5.2
131.08545	10.9
132.05711	1.4
133.06552	1.1
133.08588	45.6
133.10008	2.0
135.08035	0.7
135.10103	0.3
143.08475	0.2
145.06464	1.6
145.10120	0.3
147.08028	48.9
148.08345	0.3
149.09598	11.2
155.06015	0.3
157.10059	0.5
159.10114	0.4
161.11674	0.8
163.07561	0.4
163.11110	0.6
165.06952	0.6
165.09073	1.4
166.07765	0.7
171.08090	0.2
173.09601	1.4
175.09641	2.6
175.11145	0.7
177.11201	11.9
178.07747	0.5
178.11507	0.3
179.08549	0.7
181.10100	2.3
185.47498	0.2
191.08675	0.3
191.10641	0.9
192.09309	0.5
193.10493	0.3
193.12245	0.7
194.07320	0.2
202.21027	0.2
207.11742	0.4
208.08794	0.8
209.09700	0.2
209.11533	0.3
209.13255	0.5
219.12262	0.8
221.09717	0.3
221.13753	1.1
222.10400	0.5
223.11150	3.4
223.15382	0.3
225.12711	28.8
226.13008	0.6
227.12750	0.6
235.11020	0.3
235.14835	0.5
237.12677	0.4
239.14856	0.5
249.12700	5.3
251.14314	4.5
255.15944	0.5
267.13730	0.9
269.15359	2.6
271.15540	0.5
277.16010	0.3
283.17542	0.3
295.16910	0.8
299.18573	0.3
311.16492	0.9
311.19800	0.2
313.18030	1.1
327.17419	1.3
329.18848	0.9
373.21576	4.8
882.58905	0.2
918.67621	0.9
919.68292	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	4.8
69.03416	1.2
69.07072	4.2
71.08234	0.7
71.08630	13.9
71.59002	0.3
73.02911	0.7
75.04459	0.3
79.05482	0.6
81.07056	7.2
83.04975	0.7
83.08621	4.5
85.06524	0.4
85.10185	8.3
87.04478	2.0
89.06026	4.8
93.07028	1.2
95.08613	9.1
97.06565	0.4
97.10153	2.1
98.98461	4.5
99.04457	1.4
99.11739	0.6
103.07561	1.0
107.08569	0.4
109.10146	4.3
111.04411	0.8
111.08026	0.4
117.09114	0.5
117.95721	0.3
121.10172	0.6
123.11720	1.8
125.06028	0.4
131.07043	0.3
133.08607	2.0
134.98230	1.6
149.13255	0.4
155.01042	2.1
155.06937	0.6
161.13278	0.3
173.02145	0.7
177.11201	0.7
227.20052	24.0
228.20399	8.1
239.23792	0.8
247.05801	0.5
252.22365	0.3
257.24686	1.6
264.97333	0.5
313.27353	100.0
314.27640	1.9
337.27316	1.3
402.33145	0.3
449.26569	2.3
471.24963	3.8
505.85522	0.4
650.50220	0.4
926.84100	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5304
Annotation	Unknow
Peak:m/z	Relative Intensity
66.52937	0.4
67.05505	4.9
69.07072	4.0
69.44672	3.4
71.04997	0.4
71.08636	12.7
71.73038	0.4
74.39854	0.4
77.32535	0.4
79.05484	0.6
81.07059	6.6
83.08624	4.6
85.10185	7.7
87.43069	0.4
89.06037	1.3
91.05511	0.4
93.07045	0.5
95.08616	7.9
97.06593	0.4
97.10162	2.4
98.21500	0.6
98.98483	3.9
103.07587	1.0
108.81043	0.4
109.10156	4.0
117.09066	0.4
123.11704	1.7
132.20375	0.5
136.06203	0.8
137.13263	0.8
152.92458	0.4
155.01050	1.5
155.21141	0.4
167.35271	0.5
227.20085	1.6
228.20514	0.5
239.23666	1.2
257.24786	1.4
263.23718	0.6
313.27374	100.0
314.27756	2.7
337.27417	2.8
393.23981	0.5
400.52856	0.5
449.26379	2.3
638.39966	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.49
Annotation	Unknow
Peak:m/z	Relative Intensity
64.89477	0.5
65.03893	1.4
67.05498	16.5
67.05820	1.0
69.03419	3.1
69.07069	4.7
70.06597	4.7
71.04984	3.8
71.60119	1.1
72.08096	1.0
73.02858	1.0
79.05482	17.6
81.03410	46.8
81.03863	1.8
81.07051	18.5
83.04966	3.7
83.08606	14.0
84.04464	0.7
84.08069	1.5
85.02895	2.9
85.06488	1.3
86.09631	1.9
87.04419	0.7
91.03880	1.2
91.05473	16.7
92.25990	0.6
93.07034	13.7
95.04955	20.2
95.08589	8.2
96.08047	0.8
97.02881	4.3
97.06445	2.5
97.10157	14.4
99.04430	0.6
99.08047	1.0
103.05396	0.9
105.07021	12.5
107.04950	13.9
107.08581	11.6
109.02835	1.1
109.06508	9.7
109.09444	0.6
109.10127	5.2
110.07116	0.5
111.04359	1.6
111.08060	3.9
113.26423	0.5
115.05378	1.8
117.07002	5.5
119.04853	1.5
119.08572	8.9
120.08054	0.5
121.06494	9.7
121.10131	7.4
123.04401	2.7
123.08051	4.3
123.11660	1.2
125.05955	0.7
125.09611	12.5
127.03869	1.2
128.06126	0.6
129.07001	7.2
129.10138	0.7
131.04861	2.0
131.08565	9.8
133.06512	3.5
133.10115	5.0
135.08041	5.7
135.11629	1.1
137.05902	0.6
137.09518	1.6
139.11099	0.8
141.06918	1.3
142.07693	1.5
143.08496	2.7
145.04904	0.9
145.06401	5.8
145.10112	4.4
147.04326	1.5
147.08040	5.3
147.11678	5.9
149.06009	0.6
149.09596	4.3
151.07483	0.8
153.09175	2.7
153.12672	0.9
155.08482	1.9
157.06367	1.9
157.10123	7.2
159.08008	1.5
159.11594	2.1
161.05904	2.1
161.09523	1.9
161.13118	0.7
163.05971	1.5
163.07353	0.7
163.11159	4.5
165.12714	1.5
167.08472	0.9
167.10580	1.6
169.06422	0.7
169.09898	0.8
171.07977	2.2
171.10234	0.8
171.11624	2.6
173.09537	1.3
173.11780	0.7
173.13159	0.9
175.07413	1.0
175.11172	5.2
177.12575	0.9
180.53911	0.6
183.07915	1.3
183.11531	0.9
185.09541	1.3
185.13184	1.4
187.11174	1.4
187.14731	1.3
189.09402	0.9
189.11111	5.0
189.12721	1.9
191.10623	0.7
191.14229	0.8
193.12213	16.3
195.11620	1.4
197.09471	0.8
197.13260	1.4
199.11137	2.3
199.13091	0.9
203.14337	0.7
205.12151	2.3
209.09447	1.0
211.11163	0.8
211.13203	1.5
213.12663	1.6
215.14296	2.2
217.12215	1.4
219.13678	2.9
223.11160	0.7
223.13138	1.3
225.12724	1.1
227.12701	2.3
227.14630	0.7
231.13698	1.6
233.15334	4.6
235.13229	2.1
237.12721	1.4
237.14796	0.8
239.14337	0.8
241.14256	0.9
242.98845	0.6
245.15382	1.2
249.14824	2.0
255.13715	1.8
259.13248	1.9
267.15887	47.8
268.16071	0.8
271.16888	0.6
273.14725	7.6
273.17065	0.6
283.17172	0.6
287.16315	0.6
289.17856	1.3
291.16187	0.8
293.17410	1.2
309.16925	1.3
313.18073	0.6
321.22049	1.0
329.06534	0.9
339.23358	2.6
349.21448	4.6
357.24246	2.4
367.22635	13.7
385.18668	1.2
385.23688	22.4
386.24316	0.7
403.24716	6.9
405.24136	1.0
423.10724	2.3
423.24954	0.6
441.26248	9.8
459.27371	100.0
460.27704	2.9
477.28424	91.2
478.29013	1.9
491.29971	14.6
491.37173	0.7
501.28336	6.5
506.76395	0.6
509.31125	4.9
513.28461	1.5
519.29846	0.8
531.29504	1.9
541.34052	1.0
543.29492	1.7
555.29156	0.9
567.29443	4.9
585.30560	1.9
603.32166	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5684
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00203	0.2
67.05504	0.4
69.03419	0.8
70.06597	1.4
71.04987	0.9
71.59487	0.4
71.59866	0.3
72.08122	0.4
72.09940	0.2
73.02912	3.1
73.06554	3.4
83.04983	0.3
84.04485	0.2
84.08147	0.4
86.09710	0.6
87.04462	25.2
89.06024	100.0
90.06371	0.4
91.05453	0.3
91.07583	0.7
95.04959	0.5
97.06529	0.3
99.09873	0.2
107.04964	0.6
107.07055	5.4
110.07193	0.3
113.05998	1.8
115.07596	0.6
117.09135	2.4
120.08108	0.4
130.08618	1.2
131.07034	7.2
133.08591	65.1
135.10155	0.6
136.07649	0.2
148.23630	0.2
151.09657	0.5
157.08585	0.6
159.10175	0.3
161.11726	0.9
175.09647	4.4
177.11211	21.9
179.12714	0.3
193.10693	0.3
201.11130	0.4
204.06502	0.4
216.61412	0.3
219.12267	1.8
221.13814	3.3
223.15399	0.5
234.98964	0.3
239.14758	1.0
263.14987	0.2
265.16364	0.6
267.18097	0.3
272.12781	1.2
283.17426	1.5
309.18979	0.5
327.20087	0.5
353.21613	0.5
397.24390	0.3
403.16501	0.6
591.33722	0.3
702.82526	0.2
899.54041	1.1
916.55817	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.475
Annotation	Unknow
Peak:m/z	Relative Intensity
64.90682	0.3
65.03941	0.6
67.05505	19.7
69.07072	4.3
70.10022	0.5
70.10419	1.3
71.04993	0.5
79.05492	9.7
81.07055	15.7
83.04984	0.7
83.08601	1.8
91.05482	4.6
93.07040	10.1
95.04951	1.3
95.08606	13.1
97.06537	1.0
97.10163	0.7
98.21500	0.4
105.07047	2.9
107.08592	4.5
109.06501	0.6
109.10147	4.0
111.91514	0.3
117.07001	0.8
119.08577	2.2
121.10150	3.4
123.11723	0.9
123.50022	0.3
131.08537	1.7
133.10110	1.3
134.98183	46.0
135.11678	1.7
137.13240	0.4
145.10100	0.8
147.11665	0.8
149.13298	0.5
152.99248	0.9
154.06171	0.4
159.11687	0.8
161.13263	0.4
174.98508	0.4
176.00900	0.9
189.00116	1.0
209.01874	1.1
210.88591	0.3
227.01796	0.7
232.94550	0.5
250.95647	2.3
264.97229	4.8
268.96741	1.5
281.75470	0.4
282.98294	6.6
287.99042	0.4
302.99033	0.3
305.99927	0.7
306.98242	0.4
320.99850	2.1
335.25778	13.3
336.26419	0.4
339.00983	0.7
357.24005	11.4
375.25162	0.4
415.14993	0.3
469.23251	100.0
470.23569	2.5
563.20227	1.8
581.21301	0.9
605.21008	0.5
619.22736	0.6
637.24023	0.5
915.45496	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	18.6
69.07071	4.7
71.04988	0.6
71.58822	0.7
75.62350	0.6
76.02764	0.5
79.05489	9.1
81.07056	17.1
83.08620	1.8
91.05473	5.2
93.07037	9.4
93.29977	0.6
95.04972	1.1
95.08604	12.0
97.06522	0.6
103.35585	0.5
105.07022	2.8
107.08598	5.3
109.10146	3.8
117.07027	0.7
119.08579	1.7
121.10132	3.7
123.11691	1.3
127.68217	0.5
131.08566	1.6
133.10127	1.4
134.98186	40.2
135.11710	1.1
142.98033	0.7
145.10182	1.4
147.11708	1.0
147.71751	0.6
152.99200	1.1
161.01152	0.7
170.99040	1.1
176.00854	1.4
189.00047	2.7
209.01920	1.4
227.01645	1.4
232.94691	1.0
250.95706	4.0
264.97220	9.5
268.96753	3.3
282.98248	12.3
287.98837	0.9
294.18927	0.6
301.20068	0.7
302.98801	0.8
305.99969	0.9
306.98257	1.1
319.21274	0.7
320.20920	0.6
320.99817	4.8
335.25830	13.1
335.29813	0.7
344.01840	0.7
357.24014	9.4
359.01526	0.9
362.11731	0.6
451.21613	0.7
469.23254	100.0
470.23907	2.9
549.18335	0.9
563.20313	6.7
581.20923	2.2
619.24170	4.7
897.45544	0.8
915.46039	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4758
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	0.9
67.05502	19.5
69.07068	4.2
70.65926	0.7
70.66269	1.6
79.05488	10.6
81.07054	16.9
83.05000	0.8
83.08612	1.8
87.88454	0.5
91.05480	5.2
93.06472	1.0
93.07043	13.1
95.04957	1.0
95.08602	14.9
97.06541	1.0
97.10215	0.5
105.07005	4.1
107.08595	5.5
109.06498	0.6
109.10162	5.1
111.08115	0.5
117.07012	1.2
119.08576	2.4
121.10129	3.3
123.11705	1.2
131.08525	2.6
133.10161	1.8
134.98184	47.7
135.11711	1.9
138.00992	0.5
143.91260	0.5
145.10147	0.9
147.11653	0.5
149.13197	0.6
152.99234	1.7
159.11684	1.3
170.99075	1.0
173.13326	0.8
173.98260	0.5
176.00867	1.7
189.00131	2.4
203.47058	0.5
209.01898	0.8
227.01736	1.7
232.94681	0.7
250.95686	3.7
264.97223	7.6
268.96826	2.5
278.64935	0.5
282.98297	11.4
287.98880	1.2
301.20218	0.9
305.99973	0.7
306.98288	1.2
319.21194	0.6
320.99808	4.9
335.25797	14.3
336.26093	0.7
339.00919	1.1
344.01505	0.7
357.23969	11.4
359.01349	0.7
386.36072	0.6
463.36200	0.5
469.23251	100.0
470.23624	3.1
505.38852	0.7
549.18237	0.9
563.20251	4.4
581.21259	2.7
605.21161	1.1
619.22845	1.2
729.43213	0.8
915.46472	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51585	1.4
69.51990	0.9
70.95851	0.6
72.93771	1.6
79.05488	0.5
83.83115	0.3
85.02879	0.4
90.94802	1.7
95.04955	0.7
97.02869	0.5
98.20736	0.4
98.97569	0.6
102.83636	0.3
107.04939	36.1
108.05260	0.7
108.95823	0.9
114.94823	0.8
116.96349	0.7
116.98610	0.7
130.97861	0.3
131.96123	0.6
132.95811	6.6
134.97398	0.8
140.96385	0.5
144.95824	2.1
146.97377	0.7
149.97266	0.4
150.96861	4.6
156.95842	0.7
158.97372	7.4
158.99568	0.6
160.98911	1.2
161.02925	0.8
162.96890	2.9
166.97937	0.5
168.95845	1.8
170.97409	0.6
173.57513	0.3
173.97182	1.9
174.96866	20.0
176.98422	4.6
177.00711	0.5
178.97940	0.6
178.99940	1.4
184.98921	1.1
186.96843	4.7
187.00481	0.8
188.98444	1.0
190.96355	1.1
191.98175	0.4
192.97949	1.3
196.99005	1.0
198.96852	2.8
199.00560	0.5
202.96228	0.3
202.99979	2.8
204.97876	1.6
205.01567	0.6
210.96852	0.7
212.98363	0.8
214.96457	0.5
215.00005	2.1
216.97874	8.8
217.01364	0.6
217.98868	0.3
218.99487	0.4
219.01521	0.4
220.98895	0.9
226.96361	1.1
226.99991	0.6
229.01561	0.7
230.99498	1.7
232.99187	1.0
233.99321	0.9
234.98962	99.8
235.99126	0.8
236.99178	0.4
239.00009	2.7
245.00952	0.6
247.02551	0.5
249.00537	1.4
251.00203	0.3
253.00029	20.5
258.00598	4.1
273.00531	1.2
274.99011	0.6
275.02066	7.7
275.04996	0.6
276.99960	1.7
287.02179	0.5
289.03403	0.6
291.01553	0.8
291.99771	0.4
292.99490	36.1
304.03571	0.3
305.03146	17.0
311.00385	0.9
312.99927	0.4
319.08652	0.4
323.02023	1.6
323.04724	0.7
333.02658	0.5
334.02228	0.6
337.02319	0.4
350.03961	1.5
351.03680	100.0
352.03937	0.9
368.05765	0.3
369.04739	5.4
379.03116	1.0
383.04330	0.4
392.06299	4.6
393.06094	0.3
399.03723	0.8
425.04944	0.5
427.05673	0.4
439.06357	0.6
443.06183	0.5
455.04721	1.1
456.07852	0.4
457.07837	24.4
458.08115	0.4
469.12891	0.4
485.09320	2.3
513.08966	5.8
559.10901	0.4
561.08618	0.5
619.13190	6.8
707.05298	0.3
843.92712	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
64.42696	2.2
67.05491	8.4
67.75475	2.3
69.07070	13.4
71.58533	3.5
77.17321	2.2
77.87894	2.6
79.05482	3.5
81.07052	9.8
83.08601	10.1
93.07029	4.5
95.08636	14.4
97.10162	8.2
98.98450	6.1
109.10181	5.5
121.10152	5.5
155.01044	5.0
216.06332	3.5
241.20337	2.4
265.25397	3.4
308.29492	13.8
333.29532	2.6
339.28943	100.0
340.29138	2.9
419.25385	8.9
462.29803	28.2
480.30804	29.9
849.72650	3.7
870.90356	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	914.5672
Annotation	Unknow
Peak:m/z	Relative Intensity
66.92381	0.8
67.05503	10.7
69.03427	2.0
69.07061	6.6
69.19563	1.0
70.65601	3.2
71.04984	0.8
71.08629	16.9
72.45969	1.0
75.44382	0.8
79.05500	5.9
81.03415	52.7
81.07053	15.5
82.51180	0.8
83.04984	1.7
83.08613	13.6
85.02888	4.5
85.10172	10.1
87.04440	1.6
89.06002	1.3
91.03947	2.6
91.05493	9.0
93.07036	5.2
95.04967	16.4
95.08609	15.9
97.02879	3.5
97.06521	1.4
97.10163	4.5
98.60208	0.8
103.07587	1.1
105.07026	6.9
107.04930	3.2
107.08581	2.4
109.02912	1.4
109.06528	0.9
109.10149	8.2
111.08086	4.7
115.05497	1.0
117.07005	1.6
119.08585	7.7
121.06533	1.8
121.10139	3.0
123.04444	2.0
123.08064	1.3
123.11673	2.8
127.03904	1.3
129.07024	5.2
129.11792	1.0
131.08534	4.6
133.06459	2.8
133.10107	2.3
137.09637	1.2
142.07790	1.4
145.04948	2.0
145.10075	1.4
147.08043	2.1
147.11697	6.2
149.09662	2.4
157.10120	7.3
163.05980	2.1
163.11249	1.2
165.12746	1.2
175.11189	5.6
193.10445	1.0
193.12239	22.1
193.14023	1.2
235.13319	1.2
239.23636	1.9
249.14830	2.3
257.24649	1.6
259.13327	1.7
267.15903	99.7
268.16339	1.1
301.14377	2.7
309.17020	3.3
313.27347	100.0
314.27640	1.5
333.16672	1.0
340.61041	1.1
403.96051	0.9
505.38855	89.6
506.39224	2.3
523.39624	1.6
547.39825	5.9
601.40814	2.1
613.40979	1.8
631.41595	2.9
688.49951	1.6
914.50635	12.6
917.96460	1.0
940.98907	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5512
Annotation	Unknow
Peak:m/z	Relative Intensity
65.04308	1.8
65.19495	1.6
67.05500	5.7
69.07074	15.9
69.53880	15.5
73.65533	2.0
79.05486	2.9
79.70792	2.0
81.07037	9.0
81.33047	2.4
83.08627	10.9
93.07001	2.5
95.08611	11.7
97.10178	6.4
98.98455	6.2
109.10155	3.9
121.10170	2.2
123.11714	2.6
135.11758	3.0
155.01013	7.4
184.07387	2.4
214.41345	1.9
216.06258	3.7
226.58537	2.0
231.38942	2.0
265.25247	2.7
270.13971	2.3
270.42108	1.9
308.29550	14.2
339.28931	100.0
340.29343	2.6
372.65445	2.0
419.25342	7.1
462.29837	25.1
480.30896	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	913.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	2.0
69.03419	2.6
69.07082	0.6
70.06582	9.2
70.29420	0.6
70.90069	1.1
70.90415	1.4
71.04984	0.7
72.08141	2.5
73.02906	1.1
79.05474	1.9
80.04997	1.2
81.03405	1.6
81.07026	0.9
82.06577	1.0
83.08629	0.6
84.04536	1.5
84.08131	2.3
85.02892	3.7
86.09690	1.9
91.05479	2.0
93.07027	3.0
94.06551	4.1
95.04956	1.6
95.07355	1.9
96.08138	5.1
97.02893	3.0
99.04444	0.8
102.05495	0.6
105.07040	0.7
105.86701	0.8
106.05397	0.7
106.06569	1.8
107.04951	5.7
107.07365	1.0
108.08107	10.3
110.07165	1.3
110.09669	8.7
116.05002	1.1
118.06483	0.8
120.04466	2.2
120.08081	9.0
121.06543	1.1
121.08877	0.7
122.06024	8.1
122.09654	2.4
124.07584	4.6
127.03917	1.5
129.10207	1.9
132.08034	0.8
134.06009	1.8
136.07568	19.0
138.09129	15.6
144.04434	3.3
146.06018	5.7
148.07576	9.2
150.05592	0.9
150.09154	7.0
152.07063	9.4
160.03941	0.9
160.07611	0.8
162.05521	1.3
164.07056	3.5
166.08629	34.4
172.03928	24.2
174.05443	1.7
174.09186	1.4
176.07079	1.5
186.63359	0.7
190.04982	14.1
197.10779	0.9
198.11418	1.3
199.12239	1.0
204.06538	31.1
210.11491	1.6
211.12241	3.3
212.13029	1.1
218.08121	1.8
223.12193	3.1
225.10233	4.9
225.13817	0.9
226.11014	2.6
227.11769	4.1
229.13268	1.3
235.08495	1.6
235.12251	1.7
236.09439	1.1
237.10266	4.0
237.13768	1.2
238.10913	3.5
239.11737	6.5
241.13316	1.1
243.11353	1.1
243.14795	0.7
244.09677	2.9
245.13011	0.7
246.07666	0.8
249.10249	6.3
250.10951	5.9
251.08098	1.4
251.09030	1.0
251.11784	9.8
252.09019	0.7
252.12599	2.9
253.09677	2.4
253.13409	4.0
255.11263	2.4
256.12164	1.8
257.12891	0.9
259.14374	1.1
262.11041	1.6
263.07938	0.9
263.08673	1.0
263.11786	15.4
263.14420	1.0
264.08914	2.1
264.12491	3.7
265.09784	3.7
265.13391	9.1
266.10547	2.6
267.11276	13.7
268.11972	1.1
269.12836	3.4
271.11270	1.4
271.14447	3.5
272.12778	13.0
272.15317	1.0
273.12265	3.3
275.11438	0.8
277.09781	2.3
278.10480	3.9
279.11252	20.1
279.14352	1.0
280.11954	3.2
281.12814	7.5
282.09946	2.2
282.13419	1.0
283.10770	4.4
284.11594	7.7
285.12308	22.3
286.13333	0.9
287.13892	1.2
289.09796	0.8
289.15414	1.9
291.11270	11.2
292.12115	3.3
293.09451	0.9
293.12772	10.8
295.10822	3.1
295.14084	0.9
296.11615	3.0
297.12296	31.0
298.13092	1.6
299.13913	4.5
307.10876	2.7
309.12286	15.9
309.15692	1.1
310.13123	1.6
311.10254	4.1
311.14005	3.4
312.10822	0.8
313.11874	2.0
316.14435	0.8
319.10779	9.7
321.12366	7.2
322.12848	0.9
323.10272	7.7
323.13901	1.1
324.10962	1.2
325.11792	21.9
327.13388	7.7
328.14258	1.4
337.11795	48.6
338.12469	2.4
339.13272	4.0
341.11432	1.8
343.12906	2.6
351.12964	0.8
355.12964	1.1
357.14389	11.8
369.14410	4.0
370.15656	0.9
371.15982	1.3
372.17181	0.9
374.18878	1.3
384.17374	0.9
385.13885	1.2
390.18185	1.1
392.20193	0.9
399.15601	1.6
400.16562	2.0
402.18082	1.4
404.19824	3.0
412.16571	1.2
414.18051	1.1
418.17557	1.3
419.16241	1.0
420.19064	0.9
421.20166	1.2
422.20850	2.0
430.17548	4.6
432.19141	4.9
434.18311	2.3
436.18729	0.9
442.17749	2.1
444.19424	1.9
446.21048	3.2
448.18506	9.7
449.19382	7.2
450.20172	8.9
460.18604	9.7
461.19174	2.1
462.20334	3.0
463.20886	1.2
472.18918	1.4
474.20346	2.7
476.18210	3.5
477.19199	1.9
478.19836	2.5
480.21033	2.2
487.17117	4.9
490.19751	22.2
491.20648	1.4
492.21210	6.5
504.21594	0.8
519.20044	0.9
522.22260	7.6
523.22522	1.2
566.24231	1.0
584.24133	2.0
594.24054	1.4
595.25275	5.2
611.24731	1.4
612.25653	3.0
613.26495	100.0
614.26794	2.7
616.23346	0.8
634.23969	1.2
636.25134	1.0
645.29144	20.9
652.24976	22.9
653.26227	3.6
654.26318	1.5
684.27856	10.1
685.27911	1.3
746.29517	4.4
757.30261	2.3
775.31744	38.0
776.33417	0.9
807.34125	10.1
893.43091	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
66.04720	0.1
66.10085	0.1
67.05488	0.3
69.03415	0.3
69.60326	0.8
70.06574	0.4
79.05489	0.2
80.05012	0.2
81.03429	0.2
84.08136	0.2
85.02879	0.7
89.03896	0.4
91.05472	0.7
92.05009	0.1
93.07028	0.6
94.06580	0.2
95.04953	0.3
97.02873	0.3
103.05434	0.2
106.06535	0.2
107.04942	1.4
107.07320	0.3
108.08120	1.5
110.07137	0.1
115.05418	0.1
116.04960	1.5
117.05737	0.1
118.06521	0.1
120.08091	2.2
121.06589	0.1
122.06066	0.1
122.09641	0.8
132.08118	0.2
133.08884	0.1
134.05983	0.4
136.07541	0.9
144.04436	3.9
146.05992	0.6
148.07542	0.4
150.09105	0.3
152.07085	0.2
160.03917	0.3
160.07585	0.2
162.05486	1.9
164.07066	0.2
166.08624	3.1
172.03917	22.1
173.04294	0.2
174.05450	0.2
174.09158	0.2
180.10213	0.1
189.04312	0.1
190.04961	1.3
192.06546	0.2
195.07988	0.2
196.11235	0.5
197.08324	0.5
198.09178	1.0
199.09908	2.6
200.10704	0.7
204.06541	32.6
205.06892	0.3
206.08063	0.2
210.09152	0.2
211.09865	0.7
212.10686	5.2
213.11514	1.3
213.13687	0.2
222.07845	0.2
223.12158	0.1
226.12245	3.1
236.09520	0.1
237.10086	0.2
239.09586	0.2
239.11679	0.1
242.26109	0.1
245.82552	0.1
251.11795	0.8
252.12314	0.2
253.13339	0.3
254.11737	2.8
255.11140	0.1
257.10449	7.8
263.11761	0.1
264.08896	0.1
265.09784	0.2
265.13239	0.2
271.11981	3.1
271.14371	0.3
272.12778	100.0
273.13101	1.5
279.11288	2.3
281.12823	1.1
291.11597	0.1
297.12280	0.3
307.10748	0.9
309.12326	0.3
310.13031	0.1
311.13806	0.3
313.15445	2.9
325.11798	1.3
337.11746	0.2
338.12524	0.2
339.13376	5.2
343.12747	0.4
356.14175	0.1
357.14407	9.9
358.14825	0.2
369.14337	0.4
385.14835	0.1
386.68671	0.1
393.18048	4.0
395.19659	0.7
405.18005	0.2
434.18222	0.2
442.17105	0.2
460.18533	0.5
469.15833	0.3
475.20801	0.1
487.17227	0.2
492.21219	0.9
501.18527	1.6
517.16125	0.1
519.19775	0.3
584.26111	0.1
595.25195	0.4
610.25446	0.2
628.26361	0.2
677.27509	0.1
714.16382	0.1
726.32977	0.1
899.72461	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	913.386
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	0.4
66.81574	0.2
67.05481	0.3
69.03400	0.6
70.06590	1.7
79.05477	0.5
81.03425	1.0
81.93350	0.2
82.06570	0.3
84.04476	0.3
84.08132	0.4
85.02900	1.1
86.09688	0.6
89.03896	0.8
91.05454	0.5
93.07018	0.7
94.06562	1.1
95.07331	0.8
96.08121	2.4
97.02859	0.9
97.06514	0.3
106.06560	0.4
107.04936	1.1
108.08117	2.0
109.02874	0.4
110.06040	0.2
110.09671	3.9
116.04987	2.5
118.06553	0.3
120.04446	0.3
120.08098	3.3
122.06028	3.9
123.06785	0.3
124.07578	1.6
125.92894	0.3
132.08055	0.3
134.05980	0.6
136.07568	5.8
138.05496	0.3
138.09128	4.0
144.04440	8.4
146.06004	1.9
147.95375	0.2
148.03920	0.7
148.07553	1.9
150.09137	0.2
152.07080	0.5
154.08620	0.4
157.12241	0.2
160.03934	0.3
162.05486	4.7
166.08636	9.1
167.08870	0.3
172.03918	56.8
173.04250	0.5
174.05492	1.0
176.07076	0.3
178.08586	0.4
189.04150	0.4
190.04980	8.4
192.06564	0.3
196.11243	0.3
197.08340	0.4
198.09146	0.9
199.09949	2.2
200.10736	0.6
204.06543	100.0
205.06874	1.0
206.08133	0.4
211.09976	0.3
211.12323	0.2
212.10703	3.8
213.11418	1.0
222.07561	0.6
226.12256	2.0
236.09401	0.3
251.11786	0.6
254.11775	1.9
257.10458	5.3
267.11203	0.3
271.11954	1.2
272.12784	72.9
273.13104	1.2
279.11203	1.2
281.09491	0.3
281.12830	0.3
283.10760	0.8
285.12204	0.3
297.12302	1.5
299.13870	0.4
307.10776	0.7
309.12131	0.5
316.07874	0.3
325.11798	5.2
329.15012	1.9
334.09180	1.4
337.12021	0.3
339.13431	1.7
341.15070	0.4
343.12830	1.4
357.14413	36.0
358.14697	0.5
393.18088	1.6
395.19650	0.5
405.18109	0.4
421.48514	0.2
459.17526	0.3
469.16055	0.4
487.17050	7.2
501.18518	1.0
505.18198	0.4
519.11945	0.3
519.19696	5.4
613.26294	0.9
645.29132	0.2
652.24603	0.3
775.31317	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	0.5
67.05501	15.0
68.05788	0.1
69.03408	0.2
69.07064	11.7
70.06590	0.2
70.95223	0.1
71.04987	0.5
71.08619	0.5
71.59352	0.1
71.59746	0.2
79.05485	5.2
81.07051	18.1
82.07390	0.2
83.04966	0.6
83.08614	5.7
83.09116	0.3
85.06534	0.7
91.05471	3.2
93.06475	0.3
93.07041	5.1
95.04967	0.5
95.08600	14.2
96.08934	0.2
96.30529	0.1
97.06516	1.2
97.10158	2.9
98.06072	0.2
98.98464	0.4
99.08073	0.5
105.07024	2.6
107.08588	2.9
109.06498	0.2
109.10149	5.5
111.08089	0.7
111.11711	0.6
112.55254	0.2
113.09623	0.2
115.26268	0.2
119.08556	2.1
121.10130	2.2
123.08077	0.3
123.11703	2.5
124.01609	0.4
125.09623	0.4
131.08580	0.2
133.10120	2.1
135.11691	1.3
137.09613	0.4
137.13246	0.9
139.11188	0.2
147.11678	1.3
149.13260	0.5
151.11163	0.2
151.14874	0.3
153.12744	0.2
155.01093	0.2
161.13226	0.9
163.14844	0.6
175.14798	0.7
177.16341	0.2
184.07159	0.2
189.16377	0.4
198.05269	0.5
216.06296	0.6
234.78026	0.2
245.22685	0.4
263.23676	0.8
306.27899	2.1
331.54663	0.2
337.27341	100.0
338.27670	2.6
460.28156	0.4
478.29251	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	910.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	18.4
68.96571	1.6
69.07076	10.9
71.40481	1.6
71.58801	2.1
77.98252	1.4
79.05488	5.7
81.07052	19.7
83.08617	5.2
91.05481	3.5
93.07035	5.4
95.08616	17.5
97.10207	2.1
98.98486	7.1
105.07015	2.8
107.08585	1.5
109.10141	4.9
117.01908	1.6
121.10126	3.3
123.11678	2.6
124.01611	2.1
133.10126	2.9
135.11702	1.6
140.75941	1.5
155.01051	4.0
173.02260	2.3
198.05246	2.7
216.06390	2.9
263.23590	7.0
268.08469	1.5
306.27972	8.5
337.27374	100.0
338.27686	3.0
386.52780	1.6
417.24066	3.0
460.28275	30.6
462.79388	1.7
478.29376	32.6
799.78381	1.6
924.61444	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05439	0.3
69.03373	0.2
69.06985	0.1
69.35139	1.1
70.06528	0.1
79.05421	0.3
81.03374	0.1
81.06986	0.3
85.02848	0.3
91.03918	0.2
91.05399	0.2
92.24911	0.1
93.06947	0.2
95.08531	0.2
97.02843	0.1
105.06962	0.2
107.04897	0.3
109.10110	0.2
119.08526	0.1
121.06421	0.1
121.10057	0.1
121.84698	0.1
125.11535	0.1
133.10083	0.2
218.04808	0.1
255.79433	0.1
373.22803	0.1
454.08585	0.2
455.09567	0.1
456.10327	0.2
467.09665	0.3
468.10358	1.3
469.11227	0.8
470.11838	0.7
471.12576	0.5
481.11447	0.3
482.11713	1.3
483.12619	6.0
484.13379	0.8
485.13962	0.4
495.13913	0.4
496.14719	1.0
497.14191	15.0
498.14957	31.4
499.15271	1.5
511.15588	0.3
528.12634	0.3
539.15625	0.4
541.13226	0.2
542.13647	0.2
543.14709	0.9
544.15918	0.2
555.16760	1.2
556.16351	0.4
557.16278	49.4
558.16486	2.4
598.16461	0.3
601.15527	0.4
614.18140	2.3
615.18054	0.7
616.17578	100.0
617.17908	4.3
633.20282	0.2
634.19037	0.5
657.20227	3.3
658.20093	0.2
825.66577	0.1
908.54663	0.1
909.48560	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.5191
Annotation	Unknow
Peak:m/z	Relative Intensity
67.03541	0.7
67.05501	15.8
69.07069	11.9
71.58990	1.1
79.05489	3.8
79.64516	0.8
81.07057	16.7
83.08627	5.1
85.06553	1.0
91.05470	2.8
93.07036	4.3
95.04941	1.4
95.08605	14.3
97.10198	2.4
97.78831	0.8
105.07063	1.4
107.08596	2.7
109.10157	5.4
119.08588	2.0
121.10114	1.6
123.11697	2.7
129.26814	0.8
133.10086	1.9
135.11656	1.1
137.13272	1.1
139.24519	0.9
147.11653	0.9
161.13297	1.3
163.14874	1.1
171.53577	0.8
175.14761	1.2
213.86803	0.8
233.40852	0.8
242.65652	0.8
263.23764	1.5
306.27658	1.1
320.87497	0.8
337.27371	100.0
338.27664	3.9
359.64133	0.9
389.54538	0.9
478.29288	1.8
649.33447	0.9
660.37634	1.0
666.97571	0.9
795.84882	0.9
826.00372	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.5505
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	0.3
73.02901	0.4
73.06549	1.4
77.03922	0.4
79.05484	5.2
79.05956	0.3
87.03911	0.2
87.04459	5.7
89.06021	32.5
90.45267	0.2
91.04945	0.3
91.05470	2.7
91.07591	0.2
93.07037	0.5
95.04967	2.3
103.05450	4.7
103.06126	0.3
104.82516	0.2
105.07017	100.0
106.07372	0.8
107.04925	0.3
107.07076	0.9
113.06016	0.3
115.05486	0.2
116.06203	0.2
117.07002	0.4
117.09126	0.9
119.04919	0.3
119.08579	0.5
121.06490	3.2
129.07018	1.2
130.08635	0.6
131.07053	2.2
131.08548	6.2
133.08586	23.6
133.10188	0.6
135.10123	0.2
145.06450	0.3
147.08041	2.3
149.09583	0.7
157.08525	0.1
158.21692	0.1
161.11748	0.3
165.06976	0.3
165.09129	0.5
166.07747	0.5
173.09599	0.6
175.09659	1.4
177.11205	9.6
179.08511	0.3
181.10042	0.2
191.10565	0.3
192.09343	0.4
209.11557	0.2
209.13226	0.4
219.12257	0.5
221.13806	1.8
222.10170	0.2
223.11168	0.9
225.12717	6.6
227.12805	0.4
235.14908	0.2
237.13036	0.3
239.14651	0.4
249.12689	0.3
249.16783	0.2
251.14296	10.1
253.15970	2.1
255.16010	0.2
265.16370	0.3
267.13702	0.4
269.15366	1.5
279.15491	0.2
283.17499	0.5
295.16855	0.7
309.19138	0.5
311.16339	0.3
313.17889	1.4
315.17896	0.3
327.17224	1.8
327.20285	0.3
329.18951	9.5
330.19299	0.3
341.18793	0.2
353.18756	0.4
355.20209	0.5
357.20462	0.4
371.19965	0.6
373.21561	4.0
397.24042	0.3
417.24313	0.3
419.24643	0.3
433.24963	0.2
463.27090	0.2
477.27924	3.5
551.31433	0.2
683.39423	0.8
787.46350	0.7
891.51923	0.3
908.54309	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
63.93844	1.7
65.99078	1.8
67.05222	1.9
67.05504	20.0
69.07071	7.1
69.28591	10.8
69.29021	9.1
72.25913	1.9
72.65902	1.7
79.05492	13.2
81.07050	18.0
81.80435	1.7
83.08601	2.8
86.86222	1.7
91.05486	9.9
93.07043	24.8
95.04962	2.6
95.08591	11.1
98.21466	4.0
98.98448	8.6
99.08032	2.0
105.07043	3.0
107.08610	10.6
109.10159	5.6
121.10133	6.2
124.01662	2.2
131.08553	6.0
133.10127	2.0
135.11694	4.3
142.02628	2.5
145.10086	2.5
155.00989	2.6
163.14801	5.5
184.17822	2.1
213.97382	2.3
216.06349	4.8
243.21104	9.2
261.22122	8.6
304.26251	8.2
335.25806	100.0
336.26337	3.3
374.99200	2.2
415.22296	4.2
421.22440	1.9
458.26709	31.2
476.21506	2.9
476.27737	36.0
520.95099	2.2
591.87653	2.3
716.28638	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	908.5507
Annotation	Unknow
Peak:m/z	Relative Intensity
66.72424	0.1
69.03424	0.1
73.02897	0.4
73.06557	1.0
74.86008	0.1
77.03915	0.4
77.71875	0.1
79.05483	5.3
86.30506	0.1
87.04460	5.7
89.06022	31.7
90.06342	0.2
91.05469	2.6
91.07561	0.2
93.07055	0.4
95.04955	2.6
98.20718	0.4
103.05459	4.7
105.07018	100.0
106.07344	1.3
107.04879	0.2
107.07060	1.2
113.05951	0.3
115.05441	0.1
116.06230	0.2
117.07014	0.5
117.09125	0.9
119.04922	0.3
119.08573	0.6
121.06498	2.9
128.06189	0.2
129.06979	1.1
130.08624	0.7
131.07057	2.0
131.08556	5.5
133.08588	22.5
133.10201	0.6
134.08925	0.2
135.08080	0.2
144.49995	0.1
145.06483	0.4
147.08023	2.1
149.09584	0.8
151.09601	0.2
153.07007	0.1
161.11694	0.3
165.07037	0.2
165.09125	0.6
166.07727	0.3
169.10155	0.3
173.09593	0.5
175.09689	1.1
175.11037	0.2
177.11206	8.1
178.07785	0.2
179.08670	0.2
181.10092	0.4
191.10570	0.2
192.09335	0.2
195.12119	0.1
197.09579	0.1
207.11684	0.2
208.08899	0.2
209.11642	0.4
209.13297	0.3
219.12236	0.4
221.13774	1.4
223.11148	0.9
223.15373	0.3
225.12732	6.1
227.12720	0.3
235.14970	0.3
237.12927	0.2
239.14807	0.4
245.70218	0.1
249.12738	0.5
251.14287	10.2
252.14594	0.2
253.15916	2.7
255.16025	0.2
265.16306	0.2
267.13693	0.4
267.17371	0.1
269.15332	1.9
271.15268	0.2
277.15839	0.2
283.17484	0.6
295.17004	0.7
297.18378	0.2
309.19083	0.2
311.16409	0.5
313.17963	1.3
315.17831	0.3
327.17261	2.1
327.20349	0.2
328.17773	0.1
329.18951	9.4
330.19318	0.3
353.18454	0.3
355.20297	0.4
357.20514	0.4
359.20679	0.2
371.19943	0.8
373.21606	4.0
375.04501	0.1
401.23105	0.2
415.22372	0.2
417.24106	0.2
419.24200	0.3
445.26184	0.2
463.26849	0.3
477.21072	0.2
477.27853	3.0
551.31854	0.2
579.33252	0.2
683.39972	0.9
787.45233	0.6
908.53583	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	1.6
67.05503	3.0
69.07069	2.3
70.06585	15.2
70.72849	3.5
71.06909	1.3
72.08147	4.1
79.05495	5.8
81.03455	1.3
81.07059	3.0
82.06566	2.5
84.04508	2.1
84.08138	4.3
85.02906	4.6
86.09699	5.5
91.05468	3.8
93.07053	8.7
94.06557	12.1
95.04975	2.4
95.07342	8.9
95.08568	2.0
96.08125	24.8
97.06523	2.5
98.97615	1.3
105.06995	1.4
106.06519	2.8
107.04951	18.8
108.08113	15.1
108.66558	1.2
109.08908	1.7
110.06005	1.5
110.07196	1.6
110.09675	42.5
116.09959	1.4
120.08101	26.6
122.06027	4.5
123.04434	4.3
123.06808	1.7
124.07607	6.3
129.10159	2.0
134.06102	1.3
136.07587	11.4
137.05934	1.6
138.05530	1.5
138.09128	56.5
146.05988	1.7
146.09572	1.4
148.07571	9.2
150.09120	1.3
152.07045	9.9
160.07631	1.5
163.03886	3.1
164.07111	2.7
166.08632	100.0
170.08150	2.0
172.03900	2.6
182.08139	1.8
182.09669	2.0
204.06538	4.0
210.09154	4.3
211.12379	2.2
220.07571	15.1
223.12292	1.6
224.07066	1.2
226.08719	2.9
226.10756	1.3
227.11833	2.7
235.08850	1.3
236.07045	3.9
237.10240	3.9
237.13776	2.0
238.08662	7.4
238.10873	2.0
239.09492	2.6
239.11812	5.2
240.10207	3.0
242.11824	3.8
244.09697	8.0
248.07065	40.0
248.09335	2.0
249.07855	2.7
249.10283	7.6
250.08667	1.9
250.11049	4.1
251.11810	7.9
252.10307	1.4
253.09645	1.4
253.13278	1.7
254.08121	5.0
261.09998	1.9
263.11755	10.6
264.06537	2.8
264.12564	2.7
265.09741	3.0
265.13397	7.1
266.08093	21.9
267.11319	4.7
268.09680	3.5
272.12894	2.5
276.06534	24.5
277.09683	4.2
279.11295	7.8
280.09464	1.6
281.12878	4.1
282.07581	22.1
282.10413	2.2
283.08221	2.0
283.10950	2.6
285.12268	6.1
286.10669	2.3
287.13913	2.8
291.11270	9.4
293.09604	1.9
293.12741	11.8
294.07574	50.1
295.10803	2.9
296.09055	2.3
297.12354	13.4
298.10641	9.8
304.12140	1.7
305.12759	1.8
306.13647	3.5
307.10532	1.8
308.08923	1.4
309.12302	8.1
311.10333	1.9
311.13898	3.7
314.10159	27.5
317.06485	5.6
317.12601	1.9
318.06693	1.8
319.10779	5.7
319.14240	2.5
323.09995	2.1
323.16034	4.4
325.11917	8.1
326.10196	57.2
329.12912	3.3
331.10858	3.3
332.11594	3.7
333.12424	2.4
337.11823	20.5
343.10687	3.0
344.11600	2.4
345.12228	15.2
346.13068	2.6
351.13348	2.3
355.13962	1.6
357.12518	5.1
358.13046	5.7
359.14005	4.2
361.15369	2.0
369.14426	6.8
371.13937	3.8
373.15668	1.7
374.12518	2.7
375.13391	2.7
379.16348	3.2
385.11679	2.2
386.12384	3.1
387.13147	8.9
388.99377	1.5
389.15073	2.4
391.16354	2.8
393.14529	3.1
399.13300	5.3
401.14618	6.0
403.16498	3.9
404.13840	2.3
405.14380	12.9
415.16321	2.3
417.14447	17.7
419.15854	7.2
421.17575	4.6
429.14584	3.9
435.15698	2.1
447.15527	40.1
449.16946	2.0
459.15515	4.3
461.16977	9.6
464.22086	3.1
465.16599	3.8
477.15674	1.7
479.18112	92.3
480.18085	1.8
490.19736	6.4
522.22314	27.3
533.03638	2.1
540.24939	1.8
541.20142	2.2
568.24939	2.3
570.22247	3.0
584.23895	3.5
586.25610	12.9
600.23346	3.9
604.23004	2.1
612.13715	2.3
612.23352	44.5
630.24109	3.7
632.25708	2.9
644.25922	98.2
645.25763	3.6
647.27460	2.5
662.28284	2.5
664.26379	2.0
689.98163	1.4
706.27576	33.6
733.28510	2.6
738.29565	5.7
751.29437	3.5
769.30219	5.0
783.31696	2.2
906.67706	3.9
907.47009	3.7
907.67303	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	904.5276
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	1.9
67.05502	40.7
68.21243	1.6
68.23244	1.8
69.03428	4.4
69.07060	11.3
70.06586	23.3
71.04992	2.4
71.08640	3.0
71.59566	3.0
72.08157	7.6
73.02926	5.0
79.05484	32.7
79.05893	2.5
81.03411	35.2
81.07052	39.0
83.04975	6.9
83.08612	14.9
84.08141	7.4
85.02905	21.9
85.06551	3.4
86.09689	15.5
87.04474	3.0
89.06038	9.3
91.03972	5.7
91.05479	24.2
93.07040	32.3
93.07541	2.8
95.04975	15.4
95.08596	28.3
97.02911	7.0
97.06546	3.0
97.10175	4.9
99.08118	1.8
105.07011	21.2
105.07541	1.9
107.04968	5.1
107.08594	16.3
109.06527	4.0
109.10153	13.0
111.08096	5.5
114.09141	9.6
115.09506	2.4
117.07058	5.0
119.08576	17.4
121.06502	3.0
121.10138	19.9
123.11728	4.3
129.07018	5.4
131.08563	11.9
133.08638	2.0
133.10104	12.3
135.11717	5.5
142.07816	2.5
145.04985	2.8
145.10155	5.4
147.08025	1.9
147.11691	16.0
149.09624	3.5
149.13345	4.6
157.10118	10.2
159.11751	3.3
161.13286	2.9
163.11186	2.4
165.12756	3.2
167.73325	1.8
173.11909	2.0
173.13275	2.9
175.11169	8.8
182.78773	2.0
193.12263	23.3
211.13271	27.9
211.14912	2.7
261.22095	9.2
267.15872	13.2
268.30066	5.5
269.30414	3.7
285.16919	37.8
285.19742	2.6
291.19583	2.3
294.31558	3.9
295.32031	4.1
296.33115	5.2
297.33591	4.5
313.33234	2.2
317.24911	2.4
335.25769	62.2
419.89139	1.9
489.43292	2.2
490.44086	3.0
527.37372	17.7
532.45532	2.7
533.46094	4.3
545.38306	100.0
576.49005	2.7
577.48822	5.8
578.48914	3.5
621.51379	6.7
665.54010	3.1
747.53876	1.9
903.68030	99.0
904.53369	3.8
904.68341	94.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03401	0.3
71.04980	0.6
72.08135	0.2
73.02926	1.1
73.06555	2.9
74.40392	0.2
77.03932	0.7
79.05484	5.2
81.03398	0.4
81.07033	0.3
87.04464	21.1
89.06026	58.8
91.05475	8.9
91.07592	0.4
93.07036	3.9
93.07603	0.2
95.04965	3.9
98.20597	0.5
103.04777	0.4
103.05462	7.6
103.06133	0.5
103.40725	0.3
105.07024	100.0
106.07356	0.9
106.22729	0.2
107.04941	1.0
107.07063	2.8
107.08594	0.2
113.06008	0.8
115.05441	0.3
115.07598	0.5
116.06229	0.5
117.06998	1.5
117.09133	2.2
119.04947	2.5
119.08569	2.2
121.06496	24.7
128.06190	0.4
129.07018	3.1
130.08636	2.1
131.07047	6.0
131.08545	6.4
133.06476	0.7
133.08595	34.1
135.08015	0.5
141.06943	0.7
145.06465	1.0
147.08035	5.5
149.09613	2.5
153.07001	0.4
154.07802	0.5
155.08542	0.8
157.08635	0.2
157.10034	0.2
159.10164	0.4
161.11745	0.6
163.07536	0.5
163.11139	0.5
164.03349	0.2
165.07018	3.4
165.09082	2.4
166.07787	3.5
167.08525	0.2
169.10135	1.3
173.09662	0.8
175.09705	2.6
175.11086	0.4
177.11214	9.0
178.07771	0.5
179.08545	0.9
180.09259	0.4
191.10664	0.9
192.09309	0.6
193.10612	0.5
193.12263	1.0
197.09665	0.3
197.13307	0.5
207.10103	0.3
209.11734	0.6
211.13258	0.7
219.12181	0.4
221.13808	0.9
223.11166	1.3
225.12735	6.7
230.78209	0.4
235.13292	0.6
236.11720	0.3
239.14499	0.8
251.14310	2.1
255.15936	0.9
267.13806	0.3
267.17465	0.6
269.15353	11.1
295.16861	0.7
299.18530	0.4
313.17963	1.0
448.06305	0.2
743.04236	0.3
903.48041	0.4
903.67133	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.5296
Annotation	Unknow
Peak:m/z	Relative Intensity
64.38416	0.2
65.03941	0.3
67.05507	0.2
69.03427	0.5
71.04994	0.3
73.02905	1.7
73.06551	3.2
73.06918	0.3
77.03928	0.6
79.05486	4.5
81.03448	0.2
87.04459	22.4
89.06020	61.1
91.05468	8.8
91.07590	0.4
93.07040	3.7
95.04964	3.6
103.05452	6.8
105.07018	100.0
106.07368	0.5
107.04938	0.8
107.07057	2.9
113.05998	1.0
115.05422	0.7
115.07603	0.4
116.06187	0.5
117.06998	1.4
117.09113	2.5
119.04938	2.7
119.08559	2.5
120.05719	0.2
121.06489	25.4
128.06212	0.4
129.06116	0.3
129.06981	2.4
130.08614	2.4
131.07016	6.2
131.08551	7.2
133.06476	0.7
133.08588	36.1
133.10194	0.9
135.08047	0.6
135.10170	0.4
141.06973	0.6
143.08571	0.3
145.06433	1.0
145.10066	0.3
147.08028	6.0
149.09601	2.3
151.09653	0.4
153.07008	0.5
154.07719	0.3
155.08560	0.7
159.10168	0.4
161.11711	0.5
163.07538	0.6
163.11165	0.6
165.06999	3.0
165.09090	2.6
166.07762	3.2
167.08575	0.5
169.10110	1.2
173.09601	0.9
175.09669	3.2
175.11147	0.6
176.29153	0.2
177.11206	9.0
178.07736	0.3
179.08545	0.8
181.10234	0.4
191.10652	1.2
192.09291	0.3
193.10730	0.3
193.12175	1.2
195.12079	0.2
196.08917	0.3
197.09599	0.4
197.13196	0.4
209.11615	0.7
211.13251	0.6
217.12183	0.3
219.12178	0.5
221.13805	0.9
223.11174	1.4
225.12714	8.0
235.13268	0.6
239.14386	0.7
249.12642	0.2
251.14323	2.0
255.15703	0.9
267.13751	0.4
267.17380	0.9
269.15338	13.5
277.15848	0.3
283.17490	0.2
295.16855	0.6
299.18488	0.6
311.16336	0.6
313.17957	1.4
327.20047	0.2
466.08905	0.2
660.00372	0.2
695.13831	0.2
832.99481	0.2
902.66431	0.6
903.49304	0.4
903.66986	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.5299
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	0.5
67.05495	0.5
69.03418	0.7
70.06581	2.4
70.74216	0.4
71.04991	0.4
71.08629	0.4
71.59552	0.5
72.08144	0.7
73.01833	0.3
73.02918	1.9
73.06546	4.2
77.03914	0.9
79.05485	5.5
81.03427	0.5
81.07032	0.4
84.08148	1.0
86.09696	1.0
87.04459	26.3
88.42259	0.3
89.06022	82.2
91.05471	14.7
91.07578	0.5
93.07034	7.5
95.04956	5.4
98.06068	0.3
103.05457	11.9
105.07020	100.0
106.07351	0.8
107.04966	1.6
107.07047	4.5
107.08613	0.3
113.06013	1.3
114.09171	0.8
115.05419	0.4
115.07581	0.6
116.06160	0.8
117.07009	2.6
117.09120	2.7
119.04937	4.8
119.08582	5.1
121.06493	57.6
122.06874	0.5
128.06207	0.6
129.06996	3.9
130.08640	2.4
131.07040	8.3
131.08548	9.0
133.06573	1.4
133.08588	47.7
133.10191	1.4
135.08035	1.0
135.10152	0.4
141.06940	0.4
145.06462	2.0
145.81827	0.3
147.08032	11.4
149.09599	5.1
151.09589	0.3
157.08656	0.3
157.10106	0.3
159.10071	0.4
161.11664	0.7
163.07516	1.1
163.11188	0.9
165.07033	1.4
165.09096	2.8
166.07767	1.2
169.10147	0.5
173.09584	1.6
175.09648	3.7
175.11124	0.8
177.11201	11.3
178.07608	0.3
189.09129	0.4
191.10632	2.0
192.09392	0.4
193.10667	0.6
193.12230	2.1
194.07254	0.4
195.08176	0.3
207.09947	0.4
208.08948	0.4
209.11743	1.0
219.12221	0.7
221.13885	1.5
223.11172	2.8
225.12714	4.3
235.13277	0.8
237.14729	0.5
249.12782	0.6
251.14330	2.3
255.15878	1.0
268.29980	0.4
269.15347	11.6
294.31400	0.5
295.16827	1.0
296.33109	0.8
297.33411	0.4
299.18472	0.4
312.32693	0.4
313.17932	1.0
341.19186	0.4
341.53189	0.3
576.47955	0.6
620.50891	0.5
621.51196	0.4
665.53094	0.4
891.64246	0.4
902.67773	4.5
903.68024	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	902.6767
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	0.9
68.05032	0.9
69.03468	0.3
69.07069	0.6
70.06588	16.0
71.04996	0.3
71.08635	1.5
72.08153	4.9
73.02918	0.8
73.06546	0.3
79.05489	0.3
81.07063	0.9
82.06583	0.2
83.08649	0.3
84.08138	6.8
85.10191	0.8
86.06065	1.2
86.09699	7.8
87.04484	0.8
88.07657	0.6
89.06022	5.4
91.05489	0.4
93.07072	0.6
95.04993	0.3
95.08627	0.4
96.08147	0.5
97.10174	0.3
98.06078	0.6
98.09737	0.2
100.07623	0.3
102.09172	0.4
105.07078	0.4
107.04954	0.3
107.08614	0.3
109.10161	0.3
112.07674	0.2
114.09158	7.6
116.10739	0.3
117.07047	0.3
119.08604	0.3
121.10195	0.3
131.08582	0.3
132.10233	0.5
133.08640	0.4
146.11787	0.2
149.09641	0.3
158.11807	0.3
163.11171	0.2
168.06345	0.2
190.25446	0.2
202.14473	0.3
220.15526	0.6
225.83720	0.2
234.17157	0.3
264.18091	0.4
268.30017	2.8
278.19955	0.2
282.31683	0.5
294.31525	5.7
296.33087	7.4
302.39444	0.2
308.20789	0.4
310.31100	0.2
312.32614	2.2
322.22272	0.4
352.23801	0.3
356.35300	0.9
366.24875	0.3
372.37558	0.2
395.33676	0.2
400.37827	1.2
410.27261	0.3
440.28833	0.3
444.40524	3.9
488.43045	3.2
500.92355	0.2
532.45709	6.0
534.62952	0.2
576.48297	5.2
620.50897	5.3
620.60547	0.4
642.45801	0.9
664.53296	3.6
664.62799	0.3
708.56299	2.2
752.58759	1.1
785.23242	0.3
902.67688	100.0
903.67786	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	903.53
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05480	0.7
69.03429	0.5
70.06578	2.4
71.04979	0.4
72.08124	0.8
73.02911	2.3
73.06549	3.5
77.03900	0.6
79.05482	6.4
81.03406	0.4
81.07047	0.5
84.08123	1.1
85.10217	0.3
86.09698	1.6
87.04459	26.1
89.06020	83.2
90.06347	0.7
91.04885	0.7
91.05465	13.4
91.07597	0.5
93.07027	7.6
93.07612	0.4
95.04958	5.1
95.08574	0.3
98.21478	1.0
103.05455	10.0
104.06286	0.3
105.04526	1.2
105.07015	100.0
106.07349	1.0
107.04982	2.2
107.07052	3.8
107.08577	0.5
108.11239	0.3
113.06020	0.8
114.09167	1.8
115.05410	0.5
115.07584	0.3
116.06231	0.7
117.07005	2.0
117.09104	2.7
119.04930	4.8
119.08558	5.0
121.06488	59.8
122.06815	0.8
128.06204	0.6
129.06989	3.9
130.08626	2.8
131.07031	7.1
131.08563	11.0
132.05608	0.3
133.06506	0.9
133.08583	44.8
133.10196	1.6
135.08061	1.0
143.15216	0.3
145.06479	2.2
147.08026	13.3
149.09595	5.6
151.09671	0.4
153.06932	0.3
155.08568	0.3
157.08635	0.5
161.09656	0.3
161.11742	0.6
163.07524	1.4
163.11154	0.9
165.06995	0.7
165.09100	2.8
166.07768	0.7
167.08614	0.3
167.10474	0.3
169.10193	0.3
171.08060	0.3
173.09663	1.2
175.09662	3.7
175.11145	0.7
177.11198	11.3
178.07860	0.3
179.08554	0.7
189.09154	0.4
191.10655	1.4
193.10596	0.5
193.12276	2.2
193.94830	0.3
195.08160	0.4
195.11823	0.5
197.09641	0.8
208.08867	0.4
209.11710	0.9
211.13335	0.5
221.09605	0.4
221.13841	1.2
223.11143	2.5
225.12733	4.3
227.12872	0.4
235.13301	0.7
236.12025	0.3
237.14807	0.3
239.14980	0.4
249.12842	0.6
251.14401	2.2
253.14378	0.6
255.15935	0.8
268.30109	1.1
269.15317	10.5
271.15283	0.5
279.16135	0.3
294.31607	1.0
295.17014	1.2
296.33228	1.2
297.16953	0.3
297.33395	0.7
299.18451	0.6
313.17996	0.8
341.19394	0.4
356.34918	0.4
391.71790	0.3
488.43039	0.4
532.45514	0.6
533.97650	0.3
576.48254	0.7
577.48389	0.5
585.93286	0.3
620.50494	0.7
621.51703	0.7
665.54022	0.6
675.35504	0.3
677.48975	0.6
778.93054	0.3
896.60327	0.3
902.67596	5.6
903.50494	0.6
903.67920	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	902.6765
Annotation	Unknow
Peak:m/z	Relative Intensity
64.71209	0.2
65.80299	0.2
66.09650	0.2
67.05510	0.7
68.05033	0.7
69.03428	0.2
69.07068	0.6
70.06586	15.1
70.66428	0.6
71.08624	1.9
72.04513	0.3
72.08150	4.4
72.08531	0.3
73.02924	0.7
75.38416	0.2
79.05499	0.4
81.07063	0.5
83.04965	0.2
83.08635	0.5
84.08136	6.2
85.02902	0.2
85.10186	0.6
86.06062	0.4
86.09697	7.5
87.04476	0.6
88.07616	1.0
89.06026	5.6
91.05489	0.4
93.07040	0.3
95.08608	0.3
96.08139	0.4
97.08978	0.2
97.10179	0.3
98.06048	0.2
98.09680	0.2
100.07628	0.5
102.09200	0.6
105.07027	0.3
107.08587	0.2
109.10183	0.4
114.09156	7.0
116.10748	0.5
117.07130	0.2
119.08613	0.2
130.12321	0.4
131.54474	0.2
132.10248	0.5
133.08633	0.6
145.10149	0.2
146.11786	0.3
158.11775	0.2
176.12852	0.4
194.60062	0.2
240.93643	0.2
264.18234	0.3
268.29953	3.1
278.19748	0.2
282.31601	0.6
294.31525	5.6
296.33115	7.7
312.32559	2.9
352.23541	0.3
356.35202	1.5
366.24936	0.6
381.11383	0.2
396.26160	0.5
400.37744	1.4
410.27649	0.5
444.40305	0.9
468.56998	0.2
488.43103	4.1
488.50336	0.2
532.45679	2.8
543.37061	0.6
576.48267	9.3
620.50940	8.5
621.51202	0.3
664.53564	1.6
708.56091	1.7
824.79279	0.2
884.66980	0.3
902.67664	100.0
903.67700	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	902.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03885	1.9
67.05498	33.5
67.05836	1.2
69.03373	1.9
69.07057	9.2
69.79798	3.1
70.06534	2.1
71.04974	2.8
71.08593	0.7
72.08125	0.6
73.02868	2.1
77.03891	0.5
77.71570	0.5
79.05485	32.4
81.03407	2.5
81.07044	36.0
83.04980	3.4
83.08610	10.0
84.08083	1.5
85.02893	4.1
85.06500	1.2
86.09650	1.6
89.06010	1.2
89.42480	0.6
91.03897	1.9
91.05468	13.1
93.07033	47.6
95.04961	8.0
95.08595	48.5
97.02885	5.9
97.06506	3.9
97.10159	2.7
98.20806	0.7
99.04438	2.8
103.05385	0.7
105.06387	0.8
105.07015	10.4
107.04947	7.2
107.08581	36.2
109.06539	2.5
109.10136	12.1
111.04392	0.8
111.08025	2.1
113.05921	0.7
114.09113	1.5
115.05424	0.8
117.06997	9.1
119.07790	0.8
119.08566	12.6
121.06503	5.6
121.10129	22.4
123.07991	0.7
123.11698	3.1
125.05929	2.2
127.03856	1.2
127.07487	0.5
129.06975	0.7
130.07756	1.9
131.08537	4.6
133.10129	5.7
135.07982	2.0
135.11674	52.6
136.06152	1.7
137.09540	0.8
137.13205	1.2
139.07475	1.8
143.08463	0.6
145.04930	0.9
145.10107	30.8
147.11652	3.2
149.13258	3.5
153.12636	1.3
155.08556	0.6
159.11653	2.4
161.13210	2.1
163.06076	0.9
163.11165	63.8
164.11494	0.6
172.76225	0.5
173.09615	1.2
173.13234	1.6
175.14737	1.1
177.16373	0.6
181.12215	12.4
187.14726	0.9
201.16374	0.7
209.11748	1.4
224.10681	0.5
227.12750	81.2
228.13193	0.9
243.21049	2.9
261.22113	9.1
267.15714	0.5
268.29993	1.1
283.15366	100.0
284.15799	1.6
294.31537	1.2
296.16455	0.6
296.33145	1.3
317.24670	2.8
335.25763	92.1
336.26151	1.4
349.86508	0.6
444.40094	0.8
450.75928	0.5
532.45483	0.7
543.36755	98.9
544.37189	3.4
561.38177	1.2
576.48608	1.3
620.50287	1.4
826.26898	0.6
902.67712	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03873	1.4
67.05497	32.0
67.05830	1.6
69.03366	1.7
69.07062	8.7
69.07403	0.6
70.06576	2.8
70.85766	1.1
71.04932	1.8
71.08585	0.6
72.08114	0.9
73.02903	1.8
77.03854	0.7
79.05482	29.1
79.05917	1.0
81.03413	2.0
81.07047	36.4
83.04981	2.5
83.08610	6.7
85.02893	3.4
85.06477	1.2
85.10108	0.5
86.09644	1.3
89.05970	0.8
91.03885	1.7
91.05465	12.9
93.03328	0.5
93.07032	42.0
93.07884	1.1
95.04966	5.4
95.08594	40.9
96.08842	0.4
97.02887	4.1
97.06519	3.4
97.10113	1.4
99.04442	2.1
99.08080	0.7
103.05429	0.6
105.07011	10.4
107.04939	5.6
107.08578	25.7
109.06518	2.0
109.10143	9.6
111.04379	0.7
111.07994	1.3
113.05943	0.6
114.09107	1.0
115.05383	0.5
117.07004	8.2
119.08560	10.3
121.06500	3.6
121.10126	16.9
123.08023	0.7
123.11711	1.9
125.05987	2.0
125.09481	0.4
127.03890	0.8
129.06938	0.8
130.07730	1.0
131.08557	4.4
133.10121	5.3
135.08090	2.0
135.11674	37.8
136.06172	0.7
136.11887	0.5
137.09541	0.5
137.13203	0.9
139.07497	1.1
140.05122	0.4
143.08524	0.9
145.04913	0.8
145.10106	20.9
147.11684	1.8
149.13251	2.5
153.12709	0.5
155.08485	0.4
159.11629	1.6
161.13191	1.7
163.05966	0.6
163.11166	40.6
163.14748	1.0
164.11490	1.0
173.09593	0.5
173.13248	2.5
175.14781	1.0
181.12215	6.6
187.14827	0.5
201.16322	0.7
209.11650	0.9
227.12753	49.9
228.13159	0.8
243.21048	1.8
258.08691	0.4
261.22092	6.7
268.29749	0.6
272.20111	0.4
283.15366	53.4
284.15802	1.0
293.02048	0.4
294.31424	0.7
296.32968	1.0
317.24786	1.9
335.25757	100.0
336.26160	2.6
421.40643	0.5
439.49506	0.4
444.39868	0.5
469.33347	0.5
532.46228	0.5
543.36761	98.3
544.37097	3.5
552.46277	0.4
561.38452	0.9
576.48389	0.7
620.51239	1.0
655.43292	0.4
664.53473	0.7
740.48688	0.9
902.52844	0.5
902.67743	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	901.5666
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	5.4
67.05501	94.6
69.03416	5.8
69.07066	32.0
69.49244	3.1
71.04964	6.0
71.58799	3.7
73.02903	5.1
74.13983	2.8
79.05487	83.3
81.03428	5.0
81.06577	4.5
81.07053	88.2
83.04984	9.1
83.08623	24.1
85.02903	10.3
85.06536	9.1
91.05473	95.5
93.07038	82.2
95.04993	18.0
95.08598	69.2
97.02878	9.5
97.06524	9.8
97.10176	9.4
103.05464	5.4
105.07022	75.4
107.04939	8.3
107.08588	40.5
109.06523	10.4
109.10155	23.6
111.08077	9.1
115.05459	10.2
117.07012	60.6
119.04911	4.3
119.08585	34.2
121.06509	8.0
121.10155	27.8
123.08062	8.3
123.11658	3.7
125.09556	3.7
128.06221	21.8
129.06996	68.5
129.07909	5.5
131.04849	3.7
131.08557	86.2
133.06490	7.3
133.10129	26.2
135.08046	6.5
135.11699	12.7
141.06969	30.0
142.07784	4.5
143.08556	57.3
145.06468	10.4
145.10121	39.3
147.08099	7.2
147.11644	12.4
149.09659	10.0
149.13231	3.4
153.07033	8.4
154.07774	6.1
155.08560	48.6
157.06480	6.4
157.10121	28.5
159.08092	5.0
159.11679	20.5
161.09544	7.5
161.13257	5.5
163.11224	4.8
165.07027	9.3
166.07745	3.9
167.08554	22.6
168.09280	4.1
169.10130	26.7
171.08055	5.3
171.11662	16.0
173.09628	5.6
173.13326	4.5
175.11176	4.5
177.12766	7.2
178.07809	4.1
179.08560	8.5
181.10103	28.7
183.11681	18.6
185.09578	4.4
185.13286	13.3
187.11200	4.9
187.14819	4.7
188.63280	3.4
193.10097	16.1
195.11723	26.3
197.13258	13.0
199.14954	4.6
201.12727	3.9
203.14360	3.8
207.11700	7.7
209.13277	11.3
211.14798	10.1
213.12709	8.4
213.16516	4.9
217.11969	3.5
219.11734	3.9
221.13318	18.9
221.15176	4.3
223.14873	18.5
225.12889	4.7
227.14284	4.6
233.13217	4.7
233.15385	9.6
235.14793	13.9
237.16377	5.8
239.14395	15.6
241.16039	4.5
243.13879	5.9
245.12906	3.7
247.14859	4.2
253.15869	5.4
257.15424	9.4
259.16953	7.2
261.22247	3.9
269.15335	4.5
271.16901	12.0
271.19785	3.4
275.16461	8.0
305.22598	4.8
323.23694	7.8
333.22018	38.4
335.25784	100.0
341.24686	12.0
351.23175	94.2
369.24255	71.9
371.25827	3.5
387.25235	62.3
405.26648	4.6
414.21503	3.6
425.26871	10.0
443.27881	65.5
461.29068	32.0
703.49506	6.9
721.50507	56.1
739.51007	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	900.5356
Annotation	Unknow
Peak:m/z	Relative Intensity
66.63808	0.2
67.05174	0.3
67.05508	3.7
68.74757	0.2
69.07065	3.1
71.08633	13.6
71.44692	0.4
75.04469	0.4
79.05467	0.2
81.07056	5.0
83.08147	0.3
83.08620	4.2
85.06541	0.3
85.10180	7.3
89.06042	1.1
93.07034	0.2
95.08607	7.6
97.10165	2.3
98.98468	0.4
99.11731	0.6
103.07578	1.0
107.08614	0.3
108.72234	0.2
109.09474	0.3
109.10161	3.7
109.80572	0.2
111.11710	0.5
113.13310	0.2
117.09108	0.4
121.10102	0.2
123.11726	1.9
124.01630	0.2
125.13288	0.3
132.86334	0.2
137.13231	0.5
142.02635	0.2
145.12181	0.3
151.14801	0.3
163.14825	0.2
198.05342	0.4
216.06265	0.4
221.22729	0.2
224.09128	0.2
239.23688	1.1
257.24689	1.9
282.27957	2.9
313.27359	100.0
314.27686	2.0
338.09540	0.2
436.28400	0.4
454.29254	1.4
492.99008	0.2
626.46490	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5575
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05026	1.0
69.03418	0.8
70.06589	34.7
71.06941	0.4
72.08148	6.9
73.02908	1.3
73.06577	0.5
81.05787	0.5
84.04518	0.4
84.08141	4.7
86.06123	0.4
86.09695	2.0
87.04485	0.9
88.07626	1.3
89.06030	7.3
91.03987	0.3
95.04978	0.5
96.08115	3.2
97.02902	0.4
98.09691	1.0
98.20725	1.2
100.11210	0.4
107.04961	0.8
107.07063	0.3
108.89239	0.4
112.07621	0.9
114.09159	35.8
116.10735	0.6
129.10260	0.4
132.10164	0.8
133.08655	0.6
140.10672	0.5
151.30185	0.4
158.11787	1.3
176.12863	0.7
188.42384	0.3
202.14415	1.4
220.15514	0.7
230.60406	0.4
246.17050	0.7
264.18063	0.7
290.19867	0.4
303.05176	0.7
308.20779	1.4
352.23300	1.6
396.25845	1.7
440.28757	1.6
484.31204	1.6
528.33997	1.4
572.36743	1.0
616.38879	0.6
837.18188	0.4
898.55731	100.0
899.56189	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	900.5354
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05484	3.0
69.07059	2.1
69.79073	2.1
69.79498	4.0
71.08625	10.8
73.00737	0.9
81.07039	2.6
83.08617	3.7
83.73725	0.9
85.10190	6.4
95.08602	4.8
97.10184	1.5
98.98460	5.0
109.10155	3.7
123.11713	1.2
124.01555	1.7
155.01038	4.7
167.99774	1.1
177.10660	1.0
184.66046	0.8
198.05313	1.7
216.06384	2.9
239.23697	1.2
282.27939	12.0
313.27374	100.0
314.27719	3.1
383.41620	1.4
393.24130	8.4
436.28235	21.6
454.23260	1.7
454.29282	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	0.8
66.58698	0.4
67.05503	20.7
69.07066	13.4
70.65880	1.2
71.04980	0.5
71.08619	0.6
72.18818	0.4
77.10833	0.3
79.05480	6.0
81.07053	22.7
82.70856	0.4
83.04974	0.8
83.08154	0.5
83.08618	6.9
85.06537	0.7
91.05477	4.6
93.07044	5.9
95.04951	0.6
95.08604	19.0
96.08927	0.6
97.06517	1.4
97.10169	3.2
99.08062	0.5
105.07049	3.1
107.08586	3.2
109.06512	0.5
109.10153	6.9
111.08081	1.0
113.00015	33.0
119.08604	2.6
121.10149	3.1
123.11680	2.6
131.01082	0.6
133.10120	2.3
135.11702	1.7
137.09616	0.6
137.13225	1.2
147.11688	2.0
149.13228	1.3
151.11197	0.4
151.14824	0.6
155.01007	0.4
161.13231	1.3
163.14807	1.1
169.02608	29.4
170.54338	0.4
175.14835	0.7
187.03674	3.0
187.05200	0.4
245.22696	2.9
261.60510	0.4
263.23724	5.9
313.27350	0.6
337.27353	100.0
338.27734	5.3
431.25485	0.5
651.79535	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5248
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	0.7
67.05501	22.5
68.05841	0.4
69.07066	14.3
70.01456	1.4
71.04990	0.8
71.08631	0.8
79.05493	5.7
81.07053	24.9
82.07360	0.3
83.04968	0.8
83.08146	0.5
83.08618	7.5
85.06557	0.5
91.05477	4.0
93.06468	0.5
93.07036	7.0
95.04956	0.6
95.08603	19.3
96.08924	0.5
97.06541	1.5
97.10171	3.9
99.08093	0.5
105.07026	3.4
107.08588	3.9
109.06516	0.4
109.10150	7.4
111.08086	0.9
111.11724	0.6
113.00011	28.3
113.09573	0.3
119.08550	3.0
121.10127	3.2
123.08034	0.3
123.11706	3.4
125.09635	0.5
125.82667	0.2
127.11253	0.3
131.00996	0.3
131.08528	0.3
131.46347	0.2
133.10129	3.5
135.11693	1.6
137.09627	0.5
137.13245	1.4
147.11664	1.9
149.13249	0.7
151.11174	0.4
151.14793	0.5
161.13266	1.6
163.14815	0.8
169.02605	22.3
175.14807	0.9
187.03668	2.0
189.16434	0.4
191.17879	0.3
193.15784	0.3
203.17941	0.3
245.22589	2.1
263.23676	3.7
337.27344	100.0
338.27692	4.2
362.54919	0.2
410.14685	0.4
419.89053	0.3
431.25403	0.3
681.62567	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.0
66.43115	0.3
67.05505	26.9
68.05848	0.3
69.07072	6.4
71.04985	0.7
79.05494	14.2
80.05837	0.3
81.07056	25.4
82.07361	0.4
83.08627	2.8
85.06528	0.6
90.36629	0.3
91.04907	0.4
91.05479	7.8
92.21310	0.3
93.07047	16.9
95.04980	1.8
95.08606	21.0
96.08935	0.5
97.06528	0.8
97.10151	1.0
99.08075	0.6
105.07032	4.9
105.40733	0.3
107.08596	8.3
107.78147	0.3
109.06509	0.7
109.09461	0.6
109.10158	7.5
111.08098	0.7
113.00016	27.4
114.22092	0.3
117.07050	1.7
119.08591	3.3
121.10139	6.7
123.11713	1.8
131.08566	3.1
133.10115	2.4
135.11700	4.1
137.09668	0.4
137.13235	0.6
145.10129	2.1
147.11647	1.5
149.13261	2.4
151.14812	0.4
159.11681	1.5
161.13293	1.3
163.11061	0.3
163.14801	1.4
164.68710	0.3
169.02612	13.1
173.13281	1.4
175.14780	0.7
177.16383	0.3
184.07390	0.4
187.03648	2.9
187.14722	0.6
191.14240	0.4
193.39998	0.3
201.16443	0.4
215.17896	0.3
229.74538	0.4
233.22734	0.4
243.21056	2.2
261.22147	5.9
279.23132	0.4
317.24533	1.7
325.69073	0.4
335.25797	100.0
336.26236	3.1
426.25784	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
64.91874	0.3
65.03930	1.5
67.05505	28.7
69.06731	0.5
69.07068	7.1
70.73401	0.8
71.04974	0.8
79.05492	17.7
81.07056	28.9
83.04943	0.5
83.08620	3.3
85.06532	0.7
91.05479	8.6
93.07046	20.6
95.04991	2.3
95.08607	21.3
97.06566	0.8
97.10151	1.2
99.08077	0.5
99.93301	0.3
102.79399	0.3
105.04552	0.3
105.07028	5.8
107.08593	10.2
109.06513	0.7
109.09460	0.7
109.10156	8.4
111.08077	0.4
113.00018	37.8
113.09570	0.4
115.07516	0.4
117.07023	2.2
119.08576	3.8
121.10133	7.5
123.08032	0.6
123.11703	2.9
125.09646	0.4
131.01060	0.8
131.08575	3.8
133.10110	3.3
135.11694	4.9
137.13237	1.2
138.18541	0.3
139.11240	0.4
145.10115	2.6
147.11653	1.9
149.09674	0.5
149.13220	2.5
151.14859	0.5
154.02625	0.4
155.01030	0.4
159.11729	1.8
161.13286	1.8
163.11185	0.5
163.14861	2.2
169.02611	19.0
173.13266	2.3
175.14839	0.6
177.16368	0.7
187.03679	4.1
187.14746	0.9
196.65544	0.3
201.16347	0.4
233.22678	0.6
243.21066	3.9
261.22156	7.8
263.71661	0.3
305.24783	0.4
317.24857	1.8
335.25793	100.0
336.26132	4.1
356.82581	0.4
805.10236	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	1.2
66.56850	0.3
67.05505	25.3
69.03415	0.4
69.07071	8.9
70.84913	1.0
71.04975	0.7
71.08624	0.9
75.04475	0.4
77.03965	0.3
79.05492	19.3
80.05795	0.6
81.01389	0.3
81.07056	26.0
81.14452	0.4
83.04972	0.6
83.08631	3.3
85.06526	0.9
85.10184	0.4
91.05480	11.3
91.06358	0.4
93.07042	23.8
95.04967	2.7
95.08605	21.8
97.06515	1.2
97.10153	1.5
99.08071	1.5
105.07029	7.9
107.04921	0.4
107.08600	11.8
109.06546	0.7
109.10160	8.6
111.08090	1.4
113.00015	100.0
117.07028	2.4
119.08572	5.8
121.10141	10.5
123.08051	0.7
123.11707	3.2
125.09649	0.6
125.76149	0.4
129.05472	0.7
130.86223	0.3
131.01022	1.2
131.08569	5.2
133.10126	5.1
135.08107	0.5
135.11700	6.1
136.45363	0.4
137.09616	0.7
137.13263	1.4
139.01584	0.5
143.08606	0.4
145.10112	4.8
147.11682	3.9
149.09628	1.1
149.13258	4.0
151.11209	1.0
151.14839	0.9
154.02638	1.1
155.01045	0.8
159.11694	4.0
161.13281	3.4
163.11176	0.5
163.14825	5.4
167.14371	0.6
169.02609	66.6
170.03004	0.5
171.11649	0.4
173.13263	4.0
175.14838	1.1
177.12695	0.5
177.16383	2.1
179.14375	0.4
187.03682	8.2
187.14784	2.4
189.16414	0.5
201.16333	0.6
205.15829	0.5
233.22696	1.8
235.67097	0.4
243.21094	11.8
244.21361	0.6
245.22728	0.6
261.22137	23.9
262.22397	1.2
265.43829	0.4
275.23706	1.2
279.23087	0.4
317.24786	4.3
335.25800	64.8
336.26117	2.8
357.09830	0.4
374.18976	0.4
388.45956	0.3
429.23993	1.3
675.86353	0.5
687.90698	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4711
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	0.2
70.06587	2.3
70.17456	0.9
72.08150	0.5
81.03421	0.3
81.07082	0.2
83.17332	0.2
84.04504	0.4
84.08118	0.5
85.02903	0.5
86.09695	1.0
91.05472	0.3
98.20802	0.2
107.04970	0.8
110.07175	0.5
119.08622	0.2
120.08128	0.5
129.10269	0.3
131.07445	0.2
137.06041	0.4
186.05809	0.2
223.23065	0.2
228.63428	0.2
252.12465	0.2
299.06033	0.2
351.27734	0.2
395.47174	0.2
410.97903	0.2
554.45148	0.2
604.83026	0.2
893.47125	100.0
894.47314	4.1
903.18903	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	1.0
67.05499	32.0
68.05848	0.4
69.03424	0.4
69.07063	7.8
69.35216	1.6
69.35628	0.6
70.06585	0.6
71.04988	0.7
71.08623	0.3
74.76796	0.2
79.05486	16.8
80.05829	0.3
81.03406	0.5
81.07049	29.1
82.07409	0.2
83.04986	0.8
83.08608	3.1
84.04578	0.2
85.02875	0.4
85.06534	1.0
85.07005	0.2
86.09700	0.3
87.04475	0.3
91.05058	0.1
91.05473	8.3
93.07034	19.9
95.04970	2.2
95.08598	25.4
96.09012	0.2
96.45848	0.2
97.06513	1.6
97.10143	1.2
98.98521	0.3
99.08083	0.7
99.31918	0.2
105.04503	0.3
105.07024	6.2
107.04962	0.4
107.08585	9.9
109.06505	0.6
109.10146	9.5
111.08083	0.9
111.11732	0.2
113.00006	38.2
113.06033	0.2
113.09633	0.4
117.07015	1.9
119.08578	5.1
121.06546	0.3
121.10131	9.1
123.08060	0.7
123.11698	2.7
125.09660	0.3
129.06987	0.4
131.01071	0.5
131.08543	3.8
133.10117	3.9
135.08044	0.3
135.11668	5.9
137.09659	0.4
137.13269	0.9
139.11212	0.4
145.10115	3.1
147.11674	2.3
149.09644	0.5
149.13249	3.2
150.38136	0.2
151.11150	0.2
154.02644	0.4
155.70543	0.2
157.10022	0.3
159.11655	1.9
161.13254	1.7
163.11160	0.4
163.14810	1.5
165.12805	0.4
169.02585	18.1
173.13274	1.9
175.11057	0.2
175.14836	0.6
177.16348	0.4
179.14316	0.5
187.03653	3.4
187.14821	1.2
201.16467	0.3
205.15874	0.3
233.22664	0.4
243.21078	2.8
261.22128	7.5
279.23453	0.3
317.24698	1.8
335.25763	100.0
336.26163	3.1
348.77521	0.2
360.50308	0.2
429.23993	0.5
595.47229	0.3
723.39093	0.4
892.14667	0.2
893.48645	0.5
893.58282	0.4
894.42267	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	892.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
62.76598	0.2
65.03915	0.3
67.05505	0.4
69.03419	0.5
70.06590	0.4
71.04992	0.4
73.02896	1.5
73.06557	2.1
77.03928	0.7
79.05132	0.1
79.05479	6.2
87.04462	11.4
89.06023	55.8
90.06345	0.4
91.05472	12.0
91.07597	0.5
92.05766	0.2
93.07045	1.8
95.04957	3.3
103.04775	0.4
103.05456	8.1
105.07019	100.0
106.07359	0.8
107.04947	2.5
107.07050	2.3
107.08577	0.2
112.85877	0.2
113.06024	0.4
115.05431	0.5
115.07581	0.2
116.06237	0.7
117.07004	2.6
117.09132	1.9
119.04938	1.2
119.08563	5.7
121.06491	13.0
128.06200	1.6
129.06985	3.9
130.08603	1.8
131.07062	4.5
131.08548	9.3
132.05679	1.1
132.08910	0.3
133.06480	0.9
133.08589	38.9
133.10181	1.4
135.08011	0.6
135.10149	0.2
137.62485	0.2
145.06450	1.6
145.10094	0.4
147.08031	47.0
148.08414	0.7
149.09608	9.7
151.09615	0.4
155.06058	0.3
159.08023	0.3
161.09567	0.2
161.11699	0.5
163.07529	0.3
163.11174	0.5
165.06966	0.5
165.09103	0.8
166.07767	0.6
173.09601	1.2
175.09682	2.4
175.11087	0.3
177.11208	13.3
179.08549	0.6
181.10081	2.3
191.10643	0.8
192.09320	0.3
193.10529	0.3
193.12151	0.4
207.08029	0.3
207.11736	0.5
208.08826	0.7
209.09682	0.3
209.13344	0.5
219.12247	0.6
221.09561	0.3
221.13832	1.7
222.10455	0.3
223.11119	2.7
223.15082	0.2
225.12718	25.8
226.13165	0.4
227.12756	0.3
234.10405	0.4
235.14864	0.3
237.12791	0.7
239.14827	0.4
249.12746	4.5
251.14308	3.5
253.14134	0.3
265.16498	0.3
267.13766	0.7
269.15311	2.4
271.15234	0.3
277.15927	0.3
283.17456	0.8
295.16864	0.5
299.18460	0.2
309.18793	0.3
311.16357	0.5
313.17969	1.7
315.17941	0.4
327.17001	1.0
327.20529	0.3
329.18909	0.6
355.20206	0.2
373.21585	7.5
374.21964	0.3
391.26517	0.2
417.24188	0.3
453.96335	0.2
593.20758	0.2
771.42590	0.4
786.87946	0.2
829.16626	0.3
875.50781	0.5
892.54364	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	892.5407
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	0.4
69.03410	0.5
69.68781	1.2
71.04988	0.4
73.02892	1.4
73.06548	2.1
77.03922	0.8
79.05486	6.2
81.07051	0.3
87.04462	10.6
89.06022	58.8
91.05470	12.0
91.07599	0.4
93.07041	1.7
95.04949	3.0
103.05454	7.6
105.07020	100.0
106.07352	1.0
107.04938	2.7
107.07055	2.4
107.08568	0.2
113.06001	0.4
115.05429	0.5
116.06219	0.7
117.06998	2.3
117.09126	1.6
119.04942	1.7
119.07774	0.4
119.08569	5.7
121.06491	14.2
128.06192	1.5
129.06996	4.0
130.08649	1.3
131.07065	3.4
131.08553	9.6
132.05664	1.0
133.06535	1.2
133.08589	37.3
133.10197	1.2
135.08046	0.7
135.10184	0.2
143.08548	0.2
145.06453	1.4
145.10086	0.3
147.08031	46.0
148.08318	0.6
149.09607	9.1
151.09610	0.3
153.07092	0.2
159.10199	0.3
161.11665	0.5
163.07516	0.5
163.11151	0.6
165.06985	0.5
165.09088	0.9
166.07794	0.6
167.08704	0.2
171.08057	0.4
173.09607	1.0
175.09650	2.2
175.11156	0.5
176.50514	0.2
177.11209	12.8
178.07684	0.3
179.08585	0.5
181.10097	1.7
191.10655	0.7
192.09326	0.3
193.10509	0.3
195.12070	0.2
205.10052	0.2
207.08015	0.3
208.08868	0.6
209.11710	0.6
209.13432	0.3
219.12227	0.5
221.13837	1.8
222.10326	0.5
223.11172	2.6
223.15395	0.3
225.12717	24.2
226.13132	0.5
227.12616	0.3
234.10330	0.2
237.12744	0.6
239.14845	0.4
249.12773	3.6
251.14305	3.7
255.15981	0.5
265.16412	0.3
267.13733	0.9
269.15329	2.5
271.15308	0.3
283.17557	0.9
295.16629	0.5
299.18329	0.3
309.18973	0.3
311.16333	0.8
313.17880	1.0
327.17200	0.7
327.20450	0.3
329.18896	0.9
353.21585	0.3
355.20114	0.3
357.20569	0.3
373.21594	7.7
374.22092	0.2
417.24142	0.5
771.45209	0.3
836.21661	0.2
875.50549	0.5
892.52734	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	892.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03378	1.6
69.84694	0.5
69.85113	1.6
70.06587	9.7
71.04987	12.7
72.08093	1.1
73.02857	0.9
75.04440	0.8
81.03355	1.3
83.04938	0.8
84.04461	0.6
84.08108	0.9
85.02900	19.5
85.03404	0.6
86.07376	0.3
86.09692	1.9
87.04396	0.7
87.05560	0.4
95.04901	0.9
97.02821	1.4
98.20809	0.6
99.04372	0.6
107.04950	15.1
109.02850	0.9
110.07095	0.5
111.04424	0.7
120.08081	0.5
121.02816	0.6
121.06456	1.4
123.04382	0.5
127.03869	1.3
127.08617	0.3
129.05469	3.2
135.47232	0.4
137.01352	0.7
137.02335	10.1
137.03348	0.7
145.04857	0.4
147.06425	0.7
155.08118	0.4
156.25972	0.3
161.05977	0.7
163.03909	0.5
175.03925	0.6
189.05388	0.5
195.02850	0.5
199.03909	0.4
205.04825	0.4
217.04942	5.0
235.05840	1.2
237.09036	0.6
239.06786	0.5
247.07710	0.4
251.06955	0.4
265.08591	1.8
283.09555	1.3
288.33362	0.4
293.07956	1.5
294.08557	0.5
299.05951	0.4
311.05469	1.0
311.09067	1.6
315.04883	2.9
321.07578	0.9
325.07056	1.2
327.04996	16.7
327.08551	1.9
328.05283	0.5
329.06543	1.6
337.06985	3.5
339.04980	0.7
339.08600	2.3
341.06464	3.6
343.08408	0.9
349.06985	5.5
352.05759	1.0
353.06540	0.6
354.09720	15.6
355.08087	22.8
356.08591	0.7
366.09677	5.7
367.08102	71.5
368.08542	2.7
372.10751	12.2
379.08264	0.6
384.10791	4.2
405.21332	0.5
409.09171	1.1
421.09177	2.9
435.10541	1.1
443.11414	0.6
447.09787	0.5
449.12186	2.5
451.10236	0.5
460.13916	3.3
461.12305	21.6
462.12823	0.8
478.14960	100.0
479.15286	3.7
515.01239	0.5
515.13361	5.4
519.12823	0.6
534.16913	0.7
537.13916	0.8
584.18530	0.4
588.19177	0.7
624.20892	2.3
640.20251	21.6
641.20599	1.0
781.18103	0.5
786.25970	32.4
787.26147	2.0
906.14819	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.5241
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	0.2
69.27182	1.1
69.27591	0.5
73.02899	0.4
73.06552	1.3
77.03924	0.4
79.05052	0.3
79.05486	4.8
87.03925	0.2
87.04460	6.7
89.06022	39.4
91.05463	3.0
91.07638	0.2
93.07037	0.6
95.04971	1.9
98.21499	0.3
103.05457	4.6
104.61765	0.1
105.07020	100.0
106.07369	1.1
107.04967	0.2
107.07053	1.3
113.05975	0.3
115.05372	0.2
116.06238	0.2
117.06987	0.4
117.09127	1.0
119.04950	0.4
119.08536	0.7
121.05639	0.2
121.06491	4.1
129.06982	1.3
130.08614	0.8
131.07062	2.2
131.08556	6.5
133.08589	26.1
133.10179	0.7
134.08946	0.4
135.08017	0.2
145.06430	0.2
145.10144	0.2
147.08028	2.4
149.09618	0.7
163.11024	0.2
165.07021	0.3
165.09065	0.9
166.07747	0.3
169.10075	0.2
173.09657	0.5
175.09691	1.1
175.11061	0.2
177.11208	7.6
179.08493	0.3
181.10075	0.5
191.08504	0.2
191.10617	0.5
192.09270	0.2
193.10355	0.2
193.12143	0.2
195.11699	0.2
197.09521	0.3
205.10036	0.2
208.08783	0.3
209.11552	0.3
209.13335	0.4
219.12321	0.3
221.13800	0.9
223.11153	1.0
225.12712	6.9
227.12782	0.4
235.14972	0.3
239.14717	0.3
249.12669	0.6
251.14290	10.3
252.14676	0.4
253.15984	2.0
265.16440	0.2
267.13699	0.5
267.17404	0.3
269.15314	2.9
271.15402	0.4
275.50079	0.2
295.16821	0.5
299.18558	0.2
311.16452	0.4
313.18033	1.1
315.17838	0.5
327.17407	2.0
329.18954	9.4
330.19226	0.3
339.19699	0.2
345.75970	0.2
353.18912	0.4
355.20288	0.6
357.20294	0.2
371.19800	0.4
373.21573	3.1
374.22110	0.2
401.23001	0.2
477.27820	1.8
522.47388	0.2
523.06531	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.5242
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	0.1
69.03425	0.3
69.25532	1.3
69.45272	0.1
71.04950	0.1
73.02907	0.5
73.06549	1.2
77.03943	0.4
79.05484	4.8
87.04457	7.0
89.06020	34.6
90.06346	0.2
91.05464	2.8
91.07614	0.2
92.29274	0.1
93.07055	0.6
95.04961	2.4
97.66010	0.1
98.21533	0.2
103.05456	4.4
105.07016	100.0
106.07351	1.1
107.04903	0.3
107.07074	1.3
113.06001	0.2
115.05433	0.3
116.06224	0.3
117.06999	0.5
117.09122	1.0
118.50831	0.1
119.04935	0.5
119.08553	0.5
121.06494	3.8
129.04968	0.1
129.06995	1.2
130.08598	0.9
131.07068	1.8
131.08551	5.5
133.08586	21.9
133.10181	0.7
134.08926	0.2
145.06456	0.5
147.08034	2.4
149.09602	0.9
155.08493	0.1
157.10214	0.1
161.11652	0.2
165.07004	0.3
165.09067	0.7
166.07751	0.3
169.10115	0.1
173.09573	0.4
175.09637	0.9
175.11038	0.2
177.11198	6.2
178.07881	0.1
179.08540	0.2
179.12846	0.1
180.68465	0.1
181.10074	0.4
191.10617	0.3
192.09308	0.2
193.10538	0.1
193.12234	0.2
207.11584	0.2
209.09618	0.1
209.11615	0.3
209.13249	0.3
211.13257	0.2
219.12195	0.2
221.13785	0.8
222.10295	0.2
223.11139	1.1
225.12709	6.8
226.13144	0.2
227.12759	0.3
235.15021	0.3
239.14621	0.2
249.12685	0.7
251.14282	10.4
252.14546	0.2
253.15910	2.6
255.15778	0.1
262.59201	0.1
267.13751	0.4
269.15332	2.1
271.15323	0.2
277.15738	0.2
283.17383	0.3
295.16809	0.4
299.18494	0.1
309.39401	0.1
311.16245	0.6
313.17978	0.9
315.17883	0.2
327.17328	1.9
328.17456	0.1
329.18951	7.7
330.19324	0.4
353.18884	0.4
355.20517	0.2
357.20331	0.2
359.20828	0.1
371.20056	0.5
373.21628	3.2
401.23206	0.2
405.21701	0.1
419.24237	0.2
461.26761	0.1
477.27908	1.4
683.39343	0.1
834.30444	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.381
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03909	0.8
67.05483	1.2
70.06591	3.8
70.10127	1.3
72.08141	0.6
72.57598	0.4
79.05487	2.8
80.05017	1.4
81.03404	0.7
81.05797	0.4
81.07034	1.5
82.06573	1.7
84.04476	0.5
84.08120	0.7
85.02895	0.6
86.09699	1.5
91.05463	2.3
93.05781	1.0
93.07034	4.2
94.06566	6.7
95.04948	1.8
95.07344	4.4
95.08593	0.8
96.04424	0.5
96.08125	14.8
97.06511	1.2
103.05460	1.0
106.06544	6.4
107.04949	14.6
107.07339	1.5
108.04453	0.5
108.08115	9.0
109.08916	0.5
110.06045	0.9
110.07157	0.6
110.09673	22.9
119.04961	1.1
120.04461	1.7
120.08097	16.9
121.02857	1.1
121.06482	1.0
122.06048	4.3
123.06783	1.1
124.07597	8.1
134.06007	0.5
136.07581	5.7
138.09129	33.3
140.07054	0.5
146.06015	0.9
147.04396	3.6
148.07561	5.8
150.09128	1.7
152.07051	8.2
154.08624	0.7
160.07570	0.6
162.87135	0.4
164.07062	1.3
166.08629	100.0
167.08958	0.8
170.08121	0.4
174.09262	0.5
182.08182	0.8
185.06049	0.4
190.04962	0.6
194.09651	1.3
195.08061	0.5
196.07544	0.6
197.10762	0.9
198.09026	0.5
198.11661	0.5
202.08684	0.5
204.08131	1.3
207.06772	0.5
208.07535	0.6
210.09178	0.7
210.11378	0.7
211.12230	1.5
218.08145	1.3
220.07574	0.5
220.09720	0.8
222.09184	2.9
222.11076	0.6
223.12288	1.1
224.10690	1.5
225.10162	0.6
227.11829	1.7
232.07507	2.1
233.06018	0.6
233.08359	1.0
234.09169	0.9
235.06300	1.2
235.08594	0.5
236.06984	0.5
237.10106	2.0
237.13722	0.8
238.08659	1.4
238.10994	1.2
239.11719	4.0
240.10149	1.8
240.12437	0.5
244.09520	0.5
249.07848	1.2
249.10292	2.3
250.08635	11.5
250.10999	1.1
251.05733	1.6
251.11810	4.1
252.03462	0.5
252.10162	1.9
252.12564	0.7
253.09570	0.6
253.13396	1.2
255.11301	0.5
256.12012	1.1
257.12863	0.6
260.07071	1.0
260.12863	1.8
261.10315	0.7
262.08481	0.5
262.11084	0.6
263.11780	5.4
264.09952	0.6
264.12549	0.7
265.09915	0.9
265.13403	3.3
266.08102	11.9
266.10754	1.0
266.14063	0.6
267.11234	2.2
268.09851	0.8
269.12750	1.2
272.12787	3.2
273.12329	1.5
275.08218	0.7
277.07285	1.4
277.09869	2.6
278.08087	53.0
279.08444	1.5
279.11298	3.9
280.11935	0.6
281.12799	3.0
282.11057	1.1
283.10831	1.6
285.12494	2.8
287.14026	4.7
289.09979	0.6
289.13290	1.0
290.07895	1.0
290.14203	1.2
291.11331	6.9
292.09329	0.6
292.12079	1.4
293.09558	0.7
293.12814	5.7
295.10736	2.2
296.09131	1.1
297.12305	3.2
298.10675	2.0
299.13950	1.9
301.13113	0.7
302.14304	0.9
303.11520	0.4
303.14987	1.6
304.15802	0.9
305.14960	1.3
307.10803	1.4
309.12369	3.3
310.10605	4.4
311.10825	0.7
311.13870	3.5
313.13394	1.4
314.14163	1.0
315.11118	1.2
315.14957	1.5
316.12039	1.2
317.12836	0.7
317.16403	0.6
319.10596	2.9
323.10385	0.7
323.16006	11.6
324.12415	2.4
324.15799	0.6
325.11850	2.7
327.11237	1.7
327.14789	0.9
328.12128	1.8
329.12875	6.5
329.16501	0.8
330.13586	1.0
331.14352	0.8
335.10321	0.8
336.11203	0.5
337.11807	8.8
341.12845	5.1
342.13501	5.1
343.14493	2.5
344.14954	0.7
345.12354	0.6
345.16098	1.1
350.10147	2.8
355.14584	2.1
356.15079	1.3
357.12033	0.9
357.15677	1.7
358.13110	1.0
359.13583	1.0
359.17673	0.6
361.15237	0.6
363.17056	3.2
369.12048	0.7
370.12982	2.0
371.13864	5.5
373.15311	0.8
375.17087	0.7
382.10941	1.8
383.13809	2.7
384.14545	0.5
385.15277	3.6
387.12796	0.6
387.17407	2.4
389.14908	6.3
397.15527	0.5
399.17233	2.8
401.14902	13.9
402.15131	0.7
403.16400	4.6
405.18130	5.2
413.14810	2.8
415.16470	1.0
417.18640	0.7
425.15332	1.1
429.14423	1.6
430.15387	0.6
431.16000	74.3
432.16113	2.0
442.13004	2.0
443.16113	3.1
444.19049	0.7
445.17563	1.0
446.20831	0.7
449.17056	19.0
450.19684	0.9
461.17468	0.5
462.20529	0.7
463.18591	8.3
464.22110	3.4
471.15787	0.7
472.18521	0.5
490.19647	6.0
494.20593	0.7
508.21146	0.8
522.22198	1.1
523.18994	0.5
524.26031	0.8
528.24957	1.2
536.21802	1.1
538.53088	0.4
552.24780	1.4
554.22791	3.7
570.26105	16.7
578.22998	1.2
582.22046	1.9
584.24219	0.9
588.24017	1.2
596.23889	33.7
597.24243	1.8
600.23438	1.3
614.25049	3.2
628.26501	48.2
629.26624	2.7
661.02783	0.6
688.26355	1.4
690.28265	2.3
735.29675	1.6
753.30939	3.3
891.38605	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
64.82159	0.4
65.03931	0.4
67.05499	1.4
68.80103	0.4
70.06585	4.8
70.58636	0.4
70.58963	1.1
72.08147	1.0
79.05485	1.9
80.05006	0.9
81.03403	1.1
81.07052	1.3
82.06557	0.4
84.04504	0.8
84.08119	0.9
86.09708	2.1
86.50421	0.4
91.05486	2.0
93.05787	0.9
93.07027	2.7
94.06557	3.7
95.04966	1.2
95.07346	2.1
96.08121	7.8
97.06545	0.6
98.06013	0.5
103.05444	0.4
105.05672	0.4
106.06564	2.4
106.07161	0.4
107.04952	16.3
107.07243	0.6
108.08114	7.6
108.08847	0.5
110.06039	0.8
110.09673	12.7
116.04951	0.5
118.06515	0.8
119.04946	0.5
120.04438	0.5
120.08092	9.5
120.08914	0.6
121.02867	2.9
122.06025	2.8
122.09649	0.6
123.06837	0.7
124.07576	7.1
129.10236	0.6
132.08069	0.8
134.06030	0.7
134.09660	0.5
136.07561	9.8
137.05975	1.0
138.09129	16.7
146.05972	2.3
148.07578	3.8
150.05513	0.7
150.09114	2.5
152.07056	8.9
159.09311	0.5
160.07564	1.5
164.07063	5.2
166.08629	29.3
172.03915	3.2
180.06544	0.5
182.08098	6.8
182.09540	0.6
188.07086	0.4
190.04955	6.0
192.08302	0.4
192.10085	0.6
194.09717	0.8
198.09143	0.7
198.11552	1.7
199.12300	0.8
204.06538	3.8
204.08226	0.6
207.06810	1.0
208.07608	0.5
210.09131	0.5
210.59204	0.4
211.12408	1.8
213.10268	0.5
214.00998	0.4
220.07480	0.8
222.09171	4.7
222.11285	0.8
223.10088	0.7
223.12201	0.7
225.08287	0.5
225.10260	2.7
225.13747	0.5
226.11057	0.9
227.11775	2.9
233.08521	0.7
234.09184	0.6
235.06328	0.7
235.12396	0.5
236.07190	0.4
236.09311	0.5
237.07903	0.8
237.10103	3.0
237.13857	0.8
238.08678	2.3
238.10797	0.9
239.11777	6.5
240.10054	0.5
242.11810	0.8
244.09747	2.6
245.12817	0.7
246.07452	0.4
249.10059	2.7
250.08658	14.0
250.11076	2.0
251.09338	1.0
251.11702	4.4
252.10150	1.3
252.12630	0.8
253.09766	1.0
253.13441	1.2
255.11534	0.8
259.14523	0.5
262.11136	0.9
263.11780	9.1
264.08710	0.8
264.12589	1.9
265.09784	1.7
265.13257	3.1
266.08090	1.4
266.10721	0.6
267.11243	2.9
268.09595	0.8
269.09058	0.5
269.12823	1.6
271.10809	1.1
271.14429	0.6
272.12817	4.7
273.12549	1.1
275.11865	1.2
277.09702	1.9
277.12985	0.4
278.08041	9.3
278.10571	1.0
279.11310	8.4
280.12161	1.0
281.12790	4.7
282.11362	3.8
283.10867	1.6
284.11594	2.7
285.12326	4.9
287.13934	0.5
291.11252	7.9
292.11862	2.2
293.09558	0.7
293.12827	5.6
295.10846	2.9
296.09152	1.7
296.11639	1.9
297.12323	14.6
298.10483	4.1
298.13681	0.5
299.13904	1.6
307.10748	3.0
309.12292	6.1
310.10696	34.1
311.10849	1.1
311.13974	1.8
315.13486	0.8
316.14819	0.6
317.06531	0.8
319.10754	4.3
321.12457	1.3
323.10236	2.6
323.16174	1.5
324.11417	0.7
325.11819	18.2
326.12091	0.5
327.10876	0.9
327.14798	0.6
328.11713	0.5
329.12619	0.6
329.16193	0.8
330.13235	0.5
335.15955	0.5
336.10999	1.2
337.11777	25.0
338.12433	0.8
339.13440	1.1
340.11780	0.7
341.12170	4.9
342.13385	3.2
343.12921	4.6
349.11789	0.9
351.13446	0.6
355.14383	14.7
356.14755	2.1
357.14682	2.8
359.06094	2.5
359.12418	0.6
362.18704	0.6
369.14890	1.4
370.13037	3.2
371.14053	1.7
373.14914	1.5
375.16959	1.5
377.07007	0.7
383.14008	1.8
384.14099	0.5
385.15601	2.3
387.17249	0.6
390.18228	1.8
397.15125	0.6
399.16925	0.6
401.06961	0.5
401.14404	1.7
403.16461	5.3
404.16061	0.6
405.18396	0.9
408.19180	1.5
415.16449	9.7
416.16254	1.0
417.18619	0.7
421.19037	0.5
423.53845	0.5
429.14493	1.4
430.17621	0.7
431.15991	4.4
433.17261	1.0
443.15961	11.3
444.19653	0.5
445.17697	1.6
446.21133	0.7
447.15195	0.6
448.18985	1.1
449.19055	1.3
450.20004	0.9
461.17096	3.2
462.20285	2.2
463.18640	13.3
464.22052	2.0
472.18686	1.3
475.18436	2.1
477.20529	1.1
479.18063	3.3
485.09207	0.8
490.19641	6.2
508.20862	1.3
522.22394	7.3
552.25317	0.6
568.25067	0.7
570.26263	2.9
578.22137	0.6
582.22540	0.9
584.23785	1.2
596.23877	11.3
597.24390	0.5
611.24622	0.9
620.26099	0.7
628.26501	100.0
629.26642	7.4
631.14917	0.8
632.25989	0.7
643.27197	0.7
647.27075	9.0
661.28528	0.9
679.29669	8.1
690.27686	1.0
717.29425	1.9
722.30145	0.6
725.31152	0.6
735.30255	1.6
749.31586	1.2
753.31525	2.2
785.33734	4.1
891.39874	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	2.6
70.06588	19.7
71.04980	1.0
71.59697	1.7
72.08138	3.7
79.05500	6.6
80.05014	1.9
81.03410	3.1
81.07047	2.8
82.06566	1.9
84.04485	3.4
84.08134	3.1
85.02888	3.1
86.09693	6.4
86.25261	1.1
91.05466	4.5
91.32179	1.1
93.07036	5.8
94.06561	10.1
95.04961	4.4
95.07359	3.8
96.08127	14.7
97.02880	1.6
97.06543	2.3
100.11261	1.3
105.07034	1.7
106.06544	3.8
107.04945	38.5
108.04469	1.9
108.08111	15.8
109.06554	1.4
110.06047	3.0
110.07161	1.4
110.08989	1.9
110.09680	23.9
120.04483	3.0
120.08096	21.7
121.02882	6.5
121.06511	1.3
122.06048	7.2
123.06812	2.1
124.07587	19.0
129.10201	2.6
134.05986	2.0
136.07581	20.2
138.05521	1.7
138.09132	33.6
141.23555	1.1
144.04422	1.5
146.06035	2.9
148.07562	10.3
150.05495	5.7
150.09138	3.6
152.07062	26.7
160.07565	2.7
160.39259	1.1
163.03937	1.4
164.07053	7.6
166.08635	68.4
167.08929	1.1
170.08060	1.6
172.03943	4.8
174.05537	1.4
180.06497	1.7
182.08179	6.2
182.09528	1.4
183.06900	1.4
190.04996	16.6
194.09673	1.4
195.08009	1.2
198.09125	1.3
198.11494	3.0
199.12357	1.2
204.06609	6.2
204.08211	1.6
208.07549	1.3
209.06258	1.3
210.09045	1.9
210.11528	1.1
211.12256	1.7
212.10542	1.2
222.09195	10.8
223.09885	1.7
223.12219	1.3
225.10159	4.2
226.08549	2.6
226.10939	1.7
227.11812	4.3
235.12386	1.3
236.09486	2.6
237.10207	5.1
237.13850	1.6
238.08618	8.0
238.10953	3.2
239.11711	8.9
240.10126	1.8
242.11888	7.1
244.09700	25.7
245.12784	1.9
249.07942	1.8
249.10187	5.5
250.08649	39.5
250.11017	3.5
251.09425	2.1
251.11830	7.5
252.10431	5.5
252.12584	2.5
253.13414	2.7
255.11299	2.0
258.11285	1.9
260.12793	5.8
262.10855	1.5
263.11792	13.7
264.09006	1.1
264.12512	2.0
265.09805	1.8
265.13391	4.6
266.08167	3.7
267.11270	4.9
267.15665	1.3
268.09659	2.4
269.12708	2.6
271.10736	2.0
271.14481	1.3
272.12860	5.4
273.12305	4.6
277.09705	3.4
278.08026	26.2
278.10266	2.2
279.08688	1.6
279.11307	11.7
281.12878	6.1
282.08395	1.4
282.11191	10.0
283.10925	1.9
284.11600	4.8
285.12366	7.2
291.11273	12.6
292.12048	2.9
293.12802	8.6
295.10724	3.0
296.09119	5.1
296.11725	4.0
297.12323	24.9
298.10559	19.7
299.13934	2.5
307.10764	4.3
309.12326	12.1
310.10712	93.4
311.10925	3.3
311.14056	2.6
315.04785	1.7
317.06689	1.7
319.10919	6.2
321.12314	2.7
323.10223	4.3
325.11813	53.8
326.12292	2.4
327.14832	1.9
329.12778	1.4
336.11191	2.0
337.11804	37.1
339.14014	1.3
341.12186	7.4
342.13455	3.1
343.12857	16.4
355.14499	17.4
356.11090	1.8
356.15088	2.8
357.14490	12.2
370.12708	5.4
371.13812	2.8
373.14661	1.9
377.14804	5.2
377.19440	1.0
383.13687	2.1
385.15353	3.3
387.17258	2.1
389.14685	1.6
390.17984	1.7
401.14075	1.4
403.16589	12.8
404.15991	1.5
405.17752	2.6
410.35519	1.2
415.16483	15.4
416.16089	1.6
419.16034	2.7
431.15900	13.7
433.17935	1.9
443.15985	14.3
445.17493	4.3
449.17331	5.5
461.17474	2.8
462.19736	2.0
463.18640	58.7
464.21689	3.3
475.18506	2.7
477.20114	3.0
479.18179	3.3
490.19473	7.5
508.20996	1.3
522.22437	7.7
525.20221	4.7
537.20349	1.4
570.26086	3.2
582.22192	2.3
584.24017	6.5
596.23859	24.1
616.25690	2.0
628.26495	100.0
629.26514	10.2
647.27344	10.3
679.29492	8.9
690.28156	14.3
717.28717	3.2
722.30719	8.1
735.29645	1.7
749.32184	1.5
753.30817	3.6
783.92841	1.4
785.33435	4.6
891.45648	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.38
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	1.1
68.01437	0.9
71.04813	2.2
79.05481	3.2
80.05003	0.8
81.05803	1.0
81.07031	1.6
82.06564	2.7
91.05480	3.0
93.05764	1.0
93.07039	8.8
94.06562	10.8
95.04964	2.8
95.07349	9.9
95.08623	1.2
96.08125	26.8
97.06503	2.2
103.05437	2.4
106.06551	2.4
107.04951	19.5
108.08104	14.5
109.08911	1.1
110.06036	1.1
110.09671	44.8
118.06507	0.9
119.04951	1.1
120.08096	30.5
121.06524	2.2
122.06004	2.7
123.06822	2.4
124.07590	5.4
128.64183	0.9
136.07558	10.0
136.08508	1.1
138.09131	54.2
146.06036	1.5
147.04358	4.7
148.07547	9.6
150.05498	1.1
150.09175	1.7
152.07059	10.3
164.07053	1.7
165.07033	1.1
166.08630	94.2
167.08878	2.1
170.08183	1.1
172.03946	1.8
182.08199	1.6
194.09637	2.8
195.08084	1.5
197.10757	2.3
198.11446	0.9
204.06517	2.0
204.08147	4.0
206.86417	0.9
206.89421	1.0
207.06819	1.8
209.10718	1.6
210.09164	2.2
211.12312	2.6
220.07680	2.1
221.08392	1.2
221.10806	0.8
222.09219	13.4
222.11317	0.9
223.09871	1.3
223.12154	2.1
224.10771	2.6
227.11742	1.6
232.07629	3.1
233.08368	2.1
235.06311	3.8
235.08537	1.1
235.12225	0.9
236.07063	1.3
237.10271	3.6
237.13789	1.2
238.08681	9.0
238.10912	1.1
239.11774	3.8
240.10205	1.4
242.11795	2.8
244.09729	7.0
249.07892	2.0
249.10255	6.5
250.08630	60.0
250.10916	4.5
251.09244	1.8
251.11644	8.3
252.10086	3.6
252.12512	1.2
253.09724	1.0
253.13358	2.1
256.12134	1.9
262.11145	1.1
263.09061	1.2
263.11768	13.8
264.12579	3.3
265.09775	2.9
265.13330	5.3
266.08099	17.5
266.10760	2.0
267.08698	1.4
267.11279	4.1
268.09631	1.2
269.12860	1.4
270.11172	1.2
272.12820	1.8
273.12433	1.2
277.07208	1.1
277.09735	4.8
278.08096	64.7
279.08484	1.7
279.11258	8.3
280.09662	2.1
281.12875	4.6
282.11288	8.8
283.10886	2.3
285.12326	3.2
289.13358	3.5
290.14093	2.0
291.11276	9.7
292.12158	3.2
293.12851	8.2
295.10806	3.7
296.08914	1.1
297.12317	8.8
298.10696	24.6
299.11453	1.9
300.12585	1.3
301.13358	1.4
302.10635	1.4
302.14014	1.5
303.14923	3.3
305.12988	1.0
307.10709	1.4
309.12369	11.3
310.10699	75.7
311.10809	1.9
311.14026	2.2
313.09848	1.1
313.13260	2.3
314.14172	2.3
315.11279	2.6
315.14880	2.3
316.12256	2.7
317.12747	2.6
319.10736	6.1
323.10367	1.3
323.16022	4.1
325.11865	4.3
327.11273	4.0
327.14856	1.2
328.12283	3.7
329.12808	12.9
329.16180	1.6
330.13547	2.8
331.14355	2.6
337.11765	16.9
338.12265	1.0
339.14783	1.5
340.15698	2.4
341.12723	9.8
341.16245	1.6
342.13644	8.1
343.14227	5.8
344.15125	1.9
344.87451	1.0
345.12296	1.1
345.15903	1.4
351.13507	1.2
353.12985	1.1
355.14432	1.9
357.11972	2.0
357.15784	2.9
358.13269	2.6
359.13913	2.7
362.13855	1.3
363.17133	4.7
363.63260	0.9
368.13516	1.5
369.14325	3.8
370.13232	3.0
371.13812	11.6
373.15448	2.6
375.17114	1.5
376.15436	3.5
377.14694	2.3
383.13843	3.7
385.15439	4.0
387.17459	2.3
388.13928	1.1
389.14835	9.4
399.17078	3.5
401.14966	21.7
403.16577	6.3
404.16449	1.0
405.18066	3.6
413.15048	3.6
415.16318	1.2
417.18066	1.5
419.15921	3.1
431.16006	48.4
432.16446	2.3
435.19284	1.1
443.15991	4.7
445.17496	8.5
449.17139	2.3
451.16919	1.2
462.19748	1.4
463.18619	100.0
464.18301	4.5
468.22678	1.1
472.18997	1.1
475.17999	1.4
490.19641	3.3
494.20673	1.0
522.22345	16.5
523.21655	1.7
525.20056	3.3
536.21649	1.5
537.19867	1.5
552.24646	2.6
554.22729	4.9
570.26074	13.0
584.24072	5.1
596.23840	44.2
597.24225	3.0
611.24652	1.3
614.24677	3.4
615.25916	1.0
616.26221	2.2
628.26489	94.3
629.27319	5.0
646.29102	2.8
647.27045	1.9
648.26886	3.3
662.27960	1.1
672.26611	2.4
679.28790	1.1
690.28076	37.5
691.28265	2.8
717.29126	2.4
722.30231	5.3
735.29852	2.2
749.31653	1.6
753.30731	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	889.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
64.90926	0.3
67.05492	1.1
69.07057	0.5
70.06590	2.3
70.56487	1.1
72.08162	0.7
74.43377	0.3
79.05492	1.2
80.05015	1.0
81.03416	0.9
81.07069	0.7
82.06576	0.4
84.08163	0.7
85.02925	0.4
86.09697	1.8
91.05480	1.4
93.05782	2.1
93.07043	0.9
94.06545	1.6
95.04971	0.7
96.08125	1.1
97.06533	0.6
104.10747	1.8
105.07020	0.4
106.06534	0.6
107.04943	11.7
107.08601	0.3
108.08109	15.9
109.10155	0.5
110.06040	0.5
110.09657	2.0
118.06496	0.4
120.08089	2.2
121.02853	0.7
121.06519	0.6
122.06049	1.1
123.06890	0.4
124.07598	1.1
124.99977	0.4
129.06996	0.4
129.10257	0.5
136.07565	23.5
137.05989	2.4
138.05489	1.6
138.09123	2.9
148.07582	0.8
150.09174	0.5
152.07036	2.6
157.73154	0.3
158.09598	0.3
164.07066	3.9
166.08629	2.2
172.03957	0.5
174.09067	1.9
184.07422	1.5
186.09195	0.4
190.04893	0.4
202.08736	0.3
204.06624	0.6
204.10213	2.4
220.09909	0.4
223.12357	0.5
224.10945	0.4
225.10281	0.4
227.08104	0.6
234.11395	0.3
235.08696	0.4
235.12277	0.5
236.09518	0.7
237.10283	1.4
237.13921	0.8
238.11055	0.5
239.07997	0.4
239.11781	1.2
241.09688	0.8
244.09622	0.4
244.13306	1.7
247.12347	0.5
248.09393	0.5
249.10223	2.5
250.08813	0.4
250.10941	2.0
251.08156	0.4
251.11818	4.0
252.12587	0.5
253.13464	0.8
258.11246	0.4
261.10159	0.5
262.11084	0.9
263.11758	6.2
264.12595	1.2
265.09799	1.7
265.13278	2.7
266.10535	1.1
267.11398	0.8
267.15854	0.6
272.12891	1.6
275.07947	0.4
275.11899	1.1
277.09610	1.7
278.10565	1.1
279.11215	4.9
280.11816	0.5
281.09906	0.5
281.12814	3.3
283.10834	0.6
289.09799	1.1
290.10513	0.7
291.11255	6.5
292.11963	0.7
293.09427	0.4
293.12778	6.2
295.10666	1.7
297.12292	0.6
299.14117	0.4
305.09305	0.5
305.12772	0.5
307.10727	1.7
308.11365	0.5
309.12323	2.9
311.10007	0.4
311.14362	0.4
314.16571	0.5
317.09335	0.6
319.10742	1.6
321.12164	0.6
323.10220	0.6
323.13815	0.4
324.14966	0.6
325.12085	1.0
326.12845	0.6
327.14807	0.5
328.14670	1.0
329.12668	3.0
335.10382	0.8
337.12006	1.0
340.14691	2.4
341.12634	1.4
341.16373	0.4
342.13211	1.1
342.16522	0.7
343.14328	1.4
349.11417	0.4
351.13431	0.5
352.14456	0.7
353.11887	0.5
353.15668	0.5
354.12747	1.0
354.16562	0.5
355.14029	2.1
356.13971	1.4
356.17612	1.4
357.12411	1.0
357.16226	0.5
358.19385	0.7
365.15082	1.1
366.16357	0.4
367.13452	0.8
368.13727	2.4
368.18085	0.7
369.14984	1.1
370.16019	2.1
371.17172	0.4
372.17215	1.0
380.14020	0.6
381.14767	1.1
382.15790	1.9
383.16196	1.3
384.12900	0.5
384.17548	1.7
385.15518	0.8
386.14355	0.3
386.18741	4.2
388.20297	0.5
389.14905	1.0
396.12814	0.7
396.17743	1.8
397.14972	0.5
398.14639	0.8
398.19101	0.7
399.13513	0.6
400.16586	1.4
401.14590	1.8
402.18475	0.4
403.16571	1.4
405.14847	0.6
411.16116	0.4
412.16608	2.8
413.14661	3.1
414.18201	8.2
415.16983	0.8
416.19669	5.2
418.17645	0.5
419.16397	1.0
420.16995	1.1
426.18271	1.9
428.15997	2.3
429.14114	1.6
430.17517	1.0
431.15881	0.4
432.16989	0.7
440.16153	1.0
441.14484	1.8
442.17673	5.8
444.19180	22.7
445.19522	0.5
446.17059	3.4
447.15933	0.5
448.16705	1.5
452.16144	0.6
456.15704	0.4
459.16855	1.2
460.18796	3.7
461.17020	10.5
461.27756	0.4
462.18057	1.0
463.18634	0.7
464.19992	0.4
470.17090	14.3
471.17221	0.5
473.17261	1.1
474.16962	0.7
476.21646	1.1
486.16336	0.4
487.17438	1.1
488.18127	11.3
490.19174	0.6
492.18542	1.2
493.20084	0.7
502.19913	0.4
506.19608	1.0
518.19971	0.6
520.20618	2.9
521.19788	0.7
522.22156	0.5
550.23181	0.6
552.21075	0.6
553.21985	4.9
565.83459	0.4
566.22968	1.1
567.20856	0.6
568.24414	1.4
582.26184	6.2
594.22253	3.5
596.23792	1.0
598.22577	1.5
600.26813	1.2
612.23083	3.4
613.23846	0.6
614.24841	3.3
620.25732	0.5
625.24127	1.9
626.24927	100.0
627.25244	3.1
643.24066	1.4
644.25940	9.8
645.25677	2.8
688.26099	0.4
700.26672	0.4
720.29028	7.0
732.28882	1.9
733.28448	0.6
751.29169	1.0
764.61041	0.4
782.31073	0.6
783.36920	1.0
807.26111	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5361
Annotation	Unknow
Peak:m/z	Relative Intensity
62.05788	1.7
62.06088	25.0
67.05520	2.4
69.07052	3.4
70.76077	2.2
71.08643	11.6
78.92229	1.1
81.07040	3.5
83.08621	4.0
85.10182	6.2
95.08602	5.8
97.10162	2.6
98.98466	4.7
109.10141	2.5
114.91370	1.1
123.11694	1.2
124.01601	1.3
125.65707	1.0
130.73024	0.9
155.00998	4.9
184.07326	1.7
187.51628	1.3
198.05307	1.4
216.06299	2.8
237.02187	1.1
237.94048	1.2
272.03204	1.1
282.27829	8.9
313.27362	100.0
314.27628	2.2
393.24066	8.7
436.28220	27.4
437.28772	1.3
453.41333	1.1
454.29276	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	888.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	5.4
65.72042	2.1
67.05499	100.0
69.03416	8.8
69.07061	32.6
70.04051	4.3
70.06589	2.8
71.01315	2.7
71.04974	8.0
71.58860	2.4
72.08141	3.3
73.67957	2.4
78.05685	2.0
79.05006	2.0
79.05482	54.8
81.03410	24.9
81.07052	67.0
83.04973	14.3
83.08612	17.0
85.02900	15.0
85.06519	5.6
87.04451	4.7
89.06009	5.1
91.05481	50.1
93.07040	42.3
95.04968	18.1
95.08603	33.2
97.02872	6.4
97.06531	16.0
97.10146	14.7
99.08069	4.5
105.07021	36.3
107.04923	10.0
107.08590	36.5
109.06491	8.5
109.10140	53.5
111.08082	5.3
115.05434	3.6
117.06990	15.2
119.08570	25.0
121.06483	7.4
121.10134	13.3
123.08040	4.8
123.11642	3.4
125.09630	12.4
127.03894	4.0
129.05455	4.4
129.06976	6.5
130.32146	2.1
131.08553	17.9
133.08618	2.9
133.10120	19.8
135.08057	5.3
135.11659	18.1
137.09593	7.8
143.08551	4.2
145.04990	3.0
145.10103	16.5
147.07945	2.9
147.11650	9.2
149.09607	12.4
149.13235	7.9
151.11206	4.1
155.08540	3.9
155.10658	2.3
157.10086	6.2
159.11722	11.0
163.11198	13.4
171.10204	2.1
171.11702	4.7
173.11716	17.1
173.13257	5.7
176.14349	2.3
177.12718	3.4
181.12234	4.5
189.11122	3.1
191.10695	2.7
193.12262	3.4
195.13861	6.3
199.13206	4.8
209.11656	4.5
211.13231	2.2
227.12718	12.2
229.14340	41.0
247.64075	2.4
255.15852	8.5
257.18878	5.0
267.15884	4.6
269.17438	23.3
275.20068	24.0
293.20782	2.3
301.16391	9.5
331.22507	4.2
349.23749	21.8
358.97449	2.1
360.34900	2.3
399.23743	17.5
409.25662	7.3
423.27304	24.9
477.28485	3.2
495.29712	4.6
499.27994	2.4
503.33804	11.0
593.36865	29.5
673.42480	7.7
691.43347	3.4
887.67090	2.9
888.47034	2.7
888.64307	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	887.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
64.11900	0.3
69.03434	0.5
70.06583	1.2
70.95866	1.2
71.59529	0.5
72.93771	4.4
72.94139	0.5
73.73225	0.3
79.05480	0.9
81.03430	1.2
85.02895	0.9
88.96879	0.8
90.94819	7.1
95.04960	2.4
102.94824	0.6
107.04945	71.9
108.05282	1.7
108.95855	4.6
116.96358	0.5
119.04910	0.4
120.95839	1.7
128.96347	0.7
132.95821	5.2
133.06485	0.4
134.97409	0.7
136.95296	0.8
138.96869	0.4
139.17508	0.3
140.96465	0.5
140.99919	0.6
144.95830	2.8
144.99455	4.5
146.97374	1.1
147.01064	0.4
148.95308	5.1
148.98907	0.5
149.49480	0.3
150.96889	4.8
156.95834	1.1
156.99541	0.5
158.97380	9.7
159.01006	1.3
160.98990	0.5
161.97607	0.4
162.96880	3.7
162.98378	2.8
163.00516	7.6
166.96382	7.8
166.97830	0.3
168.95819	2.5
170.97380	1.2
174.96901	3.1
175.00441	0.4
176.96228	0.5
176.96765	0.4
176.98474	7.1
176.99957	1.0
177.02043	2.0
178.96439	0.7
178.97867	17.2
180.99440	5.7
184.98914	0.6
186.96872	5.8
188.98439	1.2
190.96329	2.5
192.97917	0.6
194.97350	1.8
195.01102	0.8
196.98953	18.4
198.96832	3.9
202.96338	0.6
202.99948	3.5
204.97946	2.1
206.95836	9.3
206.97388	0.6
208.98958	4.8
210.46535	0.3
212.98427	3.0
213.01840	0.5
214.96399	1.4
215.97218	0.5
216.97897	12.0
217.01530	1.2
220.00580	1.1
220.45164	0.4
220.98935	4.3
221.00998	1.1
224.96617	0.8
224.98462	1.1
226.96390	0.7
232.99019	7.3
233.99565	1.1
234.98973	100.0
235.99286	0.5
236.98366	2.7
237.02788	0.6
238.99971	1.4
239.99600	0.6
247.00499	2.1
250.01611	0.4
251.00005	4.1
251.03758	0.4
252.00720	0.4
253.00027	19.6
254.99464	1.3
258.00580	4.0
262.99954	3.2
263.04077	0.4
265.01514	1.1
265.05203	0.8
275.05670	0.5
275.99210	0.5
276.97318	0.4
276.99731	1.8
278.99359	1.8
279.01862	6.9
289.00391	0.7
289.03616	7.0
290.99637	0.5
291.99960	0.8
292.99496	86.6
293.99881	0.8
297.00571	0.9
305.01050	1.1
307.98120	0.5
309.00760	0.7
309.04117	7.6
311.00528	0.8
323.02094	31.0
324.02676	0.6
334.02155	1.7
339.01605	1.3
341.03098	1.1
351.07379	8.7
353.03198	5.8
354.03677	0.7
355.04153	0.4
359.04126	1.1
365.05249	26.8
369.01187	0.6
371.04242	0.7
378.02469	0.8
379.03061	3.0
381.02673	1.7
381.55762	0.5
383.06207	0.6
399.03696	37.6
399.57068	0.4
400.04266	0.6
406.08173	0.6
425.05118	1.4
427.06680	0.9
429.06244	0.8
440.06259	1.4
441.06625	1.1
455.04697	1.1
471.09451	24.5
472.09244	0.5
485.07477	4.1
489.10184	0.7
505.07822	0.5
512.11865	1.1
513.12085	1.4
547.10687	0.4
561.08789	2.1
591.11664	0.8
619.16650	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.5197
Annotation	Unknow
Peak:m/z	Relative Intensity
62.05790	1.5
62.06091	21.7
67.05495	3.3
69.07056	3.1
71.08633	9.3
71.58931	0.9
71.59297	0.7
76.23360	0.8
81.07053	3.8
83.08607	2.7
85.10182	6.1
95.08616	7.3
97.10152	1.5
98.98460	3.5
102.78646	0.7
109.10136	2.9
124.01637	1.2
155.01060	2.9
184.07324	1.4
185.79378	0.8
209.26074	0.7
216.06300	2.3
225.22096	1.0
268.26318	10.3
282.27963	1.7
299.25809	100.0
300.26132	1.2
379.22491	8.3
391.62537	0.9
422.21179	1.6
422.26672	23.3
440.27725	20.4
639.58167	0.8
689.33319	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.6818
Annotation	Unknow
Peak:m/z	Relative Intensity
64.87562	0.1
67.05490	0.7
68.05016	0.5
69.07061	0.6
69.41824	1.6
70.06585	17.5
71.04990	0.2
71.08623	2.0
72.08150	4.2
73.02914	0.8
73.06548	0.3
79.05474	0.3
81.07063	0.5
82.06560	0.3
83.08616	0.3
84.08134	6.3
85.10177	0.8
86.06080	0.2
86.09697	8.4
87.04465	0.8
88.07619	1.5
89.06023	6.9
91.05473	0.5
95.04973	0.2
95.08604	0.4
96.08129	0.4
100.07626	0.5
102.09162	1.0
103.79146	0.2
105.07027	0.4
107.07094	0.2
107.08569	0.2
109.10136	0.3
114.09153	7.9
116.10758	0.3
119.08635	0.3
121.06514	0.2
130.08617	0.2
130.12318	0.2
132.10190	0.5
133.08611	0.5
133.10136	0.2
146.11769	0.4
158.11742	0.3
176.12816	0.5
190.14354	0.3
208.20052	0.2
217.67502	0.2
220.15446	0.4
234.17041	0.3
264.18188	0.5
269.61343	0.2
278.19839	0.3
291.19534	0.2
296.33121	2.9
308.20724	0.4
310.34534	0.3
313.27554	0.4
322.34680	6.1
324.36206	7.9
325.36490	0.2
338.34329	0.3
340.35727	3.5
352.23401	0.6
366.25012	0.5
384.38464	1.9
396.26062	0.2
410.40024	0.2
428.40790	1.9
472.43573	2.2
516.46210	5.9
517.46490	0.3
527.39270	0.3
560.48755	4.3
561.48938	0.3
604.51416	9.1
605.51819	0.4
648.53986	3.3
692.56586	3.5
736.60266	0.9
780.61249	0.5
824.63818	0.2
868.65979	0.2
886.68115	100.0
887.68286	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	883.5089
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	0.8
65.93707	0.3
67.05502	24.2
69.07066	14.5
69.87007	1.8
71.04996	0.5
71.08633	0.6
79.05069	0.3
79.05499	5.6
80.97438	0.3
81.07053	24.9
83.04964	0.9
83.08618	7.3
85.06528	0.8
85.10185	0.7
91.05483	4.4
93.06474	0.6
93.07038	7.1
95.05009	0.6
95.08604	20.0
97.06523	1.6
97.10167	4.0
98.20816	0.4
98.98478	2.8
99.08089	0.8
105.07024	3.0
107.08589	3.7
109.06502	0.5
109.10152	7.6
111.08090	0.9
111.11702	0.8
113.00014	22.6
119.08576	2.5
121.10136	3.5
123.08071	0.4
123.11706	3.4
125.09613	0.6
131.01105	0.4
133.10132	2.6
135.11696	1.8
137.09630	0.7
137.13277	1.0
139.11203	0.4
147.11662	1.5
149.13232	1.4
151.14815	0.4
155.01004	2.3
161.13245	1.2
163.14830	0.9
165.12813	0.3
165.16443	0.6
169.02617	17.4
175.14836	0.9
177.16411	0.5
187.03636	2.0
245.22652	1.6
263.23734	5.5
267.55606	0.3
337.27347	100.0
338.27594	2.9
368.62799	0.3
414.49496	0.3
431.25323	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	0.9
69.03416	2.0
70.06586	1.8
70.25113	0.6
70.25504	0.6
70.95852	2.0
71.10548	0.3
71.92983	0.5
72.08144	0.7
72.93774	5.5
75.20742	0.3
81.03404	3.3
84.04518	0.3
84.08129	0.8
85.02898	3.8
86.09695	1.0
88.96899	0.8
90.94818	5.6
91.05471	44.1
92.05801	0.9
95.04965	0.3
97.02906	0.5
99.04442	0.5
103.03905	0.3
105.07023	0.3
107.04968	0.8
108.95847	1.7
109.02820	1.3
114.94828	0.6
115.03934	0.3
116.96356	0.4
117.07043	0.5
118.94240	0.5
125.96106	0.5
126.94759	0.3
126.98402	0.4
127.03909	0.6
128.96346	2.3
129.06993	0.6
129.10223	0.4
129.35922	0.2
130.97878	0.9
131.95039	0.5
132.95821	10.1
134.97404	0.5
136.07568	0.4
136.95303	1.8
138.98369	0.3
140.96402	1.0
142.52866	0.3
142.97917	0.5
144.95816	7.8
144.99474	0.3
145.04930	0.3
146.97406	2.6
146.98506	0.3
146.98946	0.3
148.98956	2.7
149.00397	0.5
149.96094	0.8
150.96875	11.9
151.97629	0.3
152.96271	0.6
154.96294	0.3
154.97946	0.4
155.97423	0.6
156.95813	2.2
157.96587	0.3
158.97383	20.0
159.04156	0.3
160.95317	1.2
160.98978	0.4
162.96878	8.4
164.98595	0.5
164.99986	2.5
166.97925	0.7
167.97432	0.4
168.95830	3.6
169.96623	0.6
170.97423	2.3
172.95264	0.4
172.98959	1.1
173.96098	1.8
174.96873	12.0
175.97487	0.3
176.98450	14.9
176.99930	1.1
177.98563	0.3
178.96352	1.2
178.97757	0.4
180.99467	1.7
181.99055	0.8
184.98955	0.9
186.96884	7.1
187.97629	1.0
188.98453	3.1
190.96349	0.8
190.99991	0.6
191.01547	0.8
191.97136	0.5
192.97910	3.1
192.99492	4.6
195.01025	2.8
196.98978	0.4
197.96059	0.3
198.96864	6.0
199.00607	0.5
200.00150	0.3
200.98431	10.4
202.96376	0.6
204.97902	4.2
206.97261	0.3
207.01030	2.7
208.63269	0.3
208.98972	0.5
210.96855	0.8
211.00578	0.6
212.98468	0.7
215.97095	1.6
215.99532	0.2
216.97906	11.5
217.98251	0.3
218.99283	3.1
219.01129	1.4
220.98999	0.7
221.02597	0.9
223.00504	7.5
228.97929	1.0
230.99408	0.6
232.97388	2.5
233.02646	0.5
233.99466	0.6
234.98930	27.8
235.99275	0.4
237.02090	0.6
240.97940	1.0
241.01591	4.8
242.01057	0.6
247.00542	1.2
249.02110	2.1
252.97844	2.1
253.00110	4.2
258.00613	1.2
258.99005	3.0
259.09763	0.3
265.01550	9.5
270.98944	0.4
275.99210	0.5
276.99841	7.4
279.01553	0.8
282.99005	2.4
283.02255	0.6
295.02777	0.3
300.01633	0.4
300.99991	2.0
307.02618	4.7
309.06332	0.3
319.01111	1.0
323.04257	0.3
324.04205	0.5
325.03650	100.0
326.04041	3.1
342.05444	0.3
343.05164	0.4
348.05310	1.8
349.03680	0.4
361.03534	0.3
366.06110	3.5
367.04706	94.3
368.05029	2.0
369.08502	0.4
373.03882	0.3
385.05768	2.6
391.04861	2.0
408.07321	4.1
409.05746	37.4
410.06003	1.3
425.08630	0.4
427.06979	1.4
437.23834	0.3
450.08368	1.7
451.07758	0.3
468.06876	0.7
469.07816	8.0
470.08228	0.5
736.83728	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.5825
Annotation	Unknow
Peak:m/z	Relative Intensity
66.74912	0.6
67.05499	1.0
69.03419	1.4
69.07082	3.5
71.08633	30.9
73.02916	2.6
73.06551	4.1
79.05479	2.0
81.07051	1.7
81.79939	0.7
83.08627	1.2
85.10180	18.5
86.09703	0.7
87.04469	45.9
89.06030	100.0
91.05479	12.4
91.07598	0.7
93.07037	6.4
95.04972	2.4
95.08611	2.2
98.21488	2.0
103.05466	1.9
105.07038	5.7
107.04959	3.1
107.07056	4.8
107.08602	2.5
109.06520	1.1
109.10159	0.9
113.06027	1.8
115.07511	0.8
117.07024	2.9
117.09100	3.2
119.04955	3.0
119.08604	3.7
121.06493	13.9
121.10164	1.6
123.08080	1.5
127.03838	0.9
127.14778	1.0
129.07043	1.2
130.08617	3.9
131.07056	12.3
131.08617	2.2
133.08601	62.0
133.10217	1.5
135.08049	3.9
135.11671	0.7
136.05214	1.9
145.10130	2.0
147.08025	9.0
147.11734	0.7
149.09612	6.8
149.13283	0.7
159.11720	1.5
163.07584	0.9
163.11206	2.5
164.08424	1.6
165.09090	4.2
167.10709	1.2
173.09686	1.5
175.09706	4.8
175.11183	1.5
177.11244	14.6
177.12738	1.4
189.09111	1.0
189.12717	0.9
191.10748	2.8
191.14264	0.8
193.10806	0.7
193.12315	2.8
196.32631	0.6
207.13817	0.6
209.11768	1.6
211.13353	1.7
219.12248	1.1
221.13742	1.3
235.13332	2.2
239.15108	0.8
247.20558	14.9
249.82890	0.6
254.56065	0.7
255.15894	1.7
261.22046	1.0
264.29773	0.8
266.95148	0.7
273.22223	3.8
274.23120	0.7
289.21982	0.6
289.25275	2.4
291.23178	21.0
292.23639	0.8
317.24841	1.9
335.26080	1.6
506.82513	0.7
628.35236	1.1
747.13013	0.6
881.47223	0.8
881.61877	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	880.5354
Annotation	Unknow
Peak:m/z	Relative Intensity
73.06569	0.4
74.09692	0.4
76.42154	0.4
77.03886	0.4
79.05485	4.2
87.04465	4.4
89.06027	24.5
91.05463	3.0
92.61778	0.4
93.07030	0.7
95.04971	2.3
97.06454	0.4
101.52258	0.4
102.01569	0.4
102.02692	0.4
103.05463	4.0
105.07023	100.0
106.07386	0.7
107.07061	1.6
117.07015	0.8
121.06498	2.8
121.10026	0.4
129.06955	0.6
130.08647	1.2
131.07019	1.5
131.08566	10.3
133.08597	20.0
147.08025	1.2
157.03882	0.4
158.92516	0.4
165.07063	0.4
165.09105	1.0
167.08565	0.8
175.09641	1.0
177.11226	7.2
181.10155	0.5
194.10889	0.7
207.11830	0.4
209.11475	0.9
209.13268	9.8
221.13802	1.5
223.11130	0.5
225.12669	2.2
225.42862	0.4
227.12775	0.4
235.14893	0.8
237.12819	0.6
239.14798	0.5
251.14305	2.3
255.15958	0.4
269.15414	3.1
270.19278	0.4
283.17615	0.5
295.17053	0.5
313.17944	1.2
315.17667	1.1
329.18967	1.1
340.43054	0.4
355.20932	2.0
359.20453	0.7
373.21518	1.9
390.26544	0.4
403.23636	0.5
418.75229	0.4
433.24973	1.3
447.25858	2.1
455.01016	0.4
477.27866	1.6
507.29526	0.8
551.32080	5.2
581.34302	0.8
655.38159	1.2
666.77966	0.4
759.44171	0.6
823.06506	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
61.97248	0.5
62.95304	0.5
65.03937	1.1
67.05507	42.4
69.07068	12.3
71.05000	1.5
71.08637	1.1
71.59227	0.7
75.28136	0.6
77.63113	0.6
79.05493	24.1
80.73315	0.5
81.07059	42.2
83.04978	1.9
83.08623	5.7
85.06544	1.1
91.05479	14.3
93.07045	28.7
94.07416	0.7
95.04951	2.9
95.08608	32.4
96.08908	0.6
97.06532	2.0
97.10160	2.2
98.98467	5.1
99.08102	1.1
104.01171	0.5
105.07041	10.6
107.04935	0.7
107.08596	14.2
109.06525	1.2
109.10160	11.0
111.08089	1.1
113.00019	75.6
117.07018	2.4
119.08598	7.1
121.10146	13.3
123.08049	0.8
123.11718	4.0
129.05505	0.9
131.01080	1.5
131.08575	5.1
133.10143	6.5
135.11674	7.0
137.13278	1.6
145.10115	4.7
147.11716	3.5
149.13254	4.2
151.14844	0.8
155.01022	2.7
159.11659	3.3
161.13272	2.3
162.77222	0.7
163.11261	0.7
163.14807	4.3
169.02615	38.5
173.02206	0.9
173.13268	3.4
175.14798	1.7
177.16400	2.3
187.03658	7.3
187.14854	1.6
191.14349	0.8
197.80597	0.6
201.16521	0.6
233.22595	0.8
243.21057	10.1
245.22702	2.0
261.22150	15.0
263.23694	2.5
291.23334	0.6
317.24741	2.4
323.25912	1.1
335.25806	100.0
336.26083	3.4
337.27371	29.3
429.24017	1.3
455.20517	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5257
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02937	2.1
67.05501	10.2
69.07068	6.2
71.04996	1.4
71.08619	14.0
71.59319	1.2
73.02900	1.0
78.21352	0.9
79.05127	1.1
79.05495	12.5
81.03416	2.0
81.07047	15.5
83.04965	2.5
83.08612	9.7
85.02918	2.3
85.10166	9.0
85.20710	0.8
87.04462	1.0
89.05998	1.3
91.03951	2.0
91.05457	3.5
93.07045	19.6
95.04991	4.3
95.08600	27.6
97.02880	4.0
97.06540	1.7
97.10165	2.9
99.04428	2.0
105.07010	4.9
107.04948	4.9
107.08583	18.1
108.23931	0.8
109.06522	0.9
109.10159	6.3
111.11713	2.2
117.07026	5.5
119.08601	4.8
121.06497	4.3
121.10117	9.2
123.11688	2.4
125.05962	1.9
133.10129	1.3
135.08014	1.1
135.11681	31.8
139.07581	1.4
145.09015	1.9
145.10101	18.5
163.11176	43.7
181.12221	8.6
227.12759	47.5
230.31888	0.9
239.23686	1.6
283.15375	80.5
284.15775	1.5
313.27338	83.3
314.27863	1.2
521.38342	100.0
522.38605	3.7
536.57135	1.1
787.99133	1.1
880.61560	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	880.4873
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	7.7
61.44340	0.6
64.23029	0.6
65.03935	3.3
67.05498	100.0
68.05812	0.7
69.03423	7.2
69.06710	1.4
69.07061	15.9
69.80493	4.3
70.04067	4.4
70.06580	1.2
71.04986	5.8
73.02914	3.9
74.89314	0.6
79.05486	24.1
79.05955	1.2
81.03410	8.2
81.07048	42.1
83.04974	6.0
83.08603	11.9
85.02895	9.6
85.06535	3.0
86.09731	0.7
87.04465	0.9
91.03951	5.6
91.05468	22.3
93.07034	26.1
95.04953	7.1
95.08599	20.6
97.02875	7.6
97.06528	7.5
97.10164	5.9
99.04478	1.3
99.08092	2.0
103.05447	0.8
105.07018	16.5
107.04937	6.1
107.08581	20.4
109.02892	1.9
109.06480	3.9
109.10145	79.5
111.08090	5.7
115.05428	0.9
117.07002	8.0
119.04925	0.7
119.08574	17.0
121.06533	3.4
121.10138	8.3
123.08091	1.6
123.11713	2.1
125.09607	6.7
127.03912	4.0
128.06183	0.8
129.07013	2.3
130.06523	0.7
131.08531	10.8
131.09351	1.0
133.06503	1.5
133.10112	9.7
135.08047	2.7
135.11668	8.2
137.09593	3.6
141.07043	1.3
142.07794	0.9
143.08618	1.3
145.04958	1.7
145.10097	8.9
147.07991	1.1
147.11649	5.4
149.09607	7.3
149.13216	5.8
151.11162	2.0
155.08716	0.8
155.10696	3.1
157.10121	2.2
159.11697	7.7
161.09567	1.2
161.13275	2.6
163.06044	1.7
163.11148	4.1
166.04866	0.8
169.10176	1.1
171.11725	1.9
173.04472	1.6
173.11742	18.8
173.13278	2.7
175.11250	1.3
177.12816	1.5
179.14287	1.1
181.12323	0.9
183.11685	1.1
184.07423	0.8
185.09680	0.7
185.13194	0.8
187.07315	0.8
187.14821	0.8
189.11154	3.3
191.14336	0.9
193.28633	0.6
195.13881	2.4
197.13301	1.4
215.17877	0.8
227.12791	11.2
229.14328	62.7
239.17978	1.7
247.20476	1.3
249.14923	0.9
255.15886	3.5
257.19067	5.8
267.15970	1.6
269.17468	9.1
275.20038	20.7
293.21088	1.1
307.25992	0.9
321.24200	0.9
324.33414	0.7
325.20163	0.8
331.22806	2.1
349.23694	19.8
367.24725	1.9
373.18719	0.9
383.24054	3.2
399.23889	3.1
407.27823	1.5
409.25839	15.7
423.27377	59.5
424.27875	1.1
439.26733	1.0
463.30484	2.2
485.32684	2.1
503.33633	42.1
504.33493	1.0
521.34589	8.4
553.29968	0.8
567.31354	4.2
647.38434	2.0
665.39563	0.9
880.51886	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	879.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
63.54276	0.7
67.05508	21.6
69.07068	10.7
69.48158	0.8
70.42050	3.0
71.08669	0.8
79.05492	6.8
81.07058	21.7
83.04987	0.8
83.08614	5.6
91.05501	3.8
93.07050	5.1
95.04996	0.8
95.08604	18.2
97.06521	1.4
97.10187	3.0
105.07053	2.7
107.08594	3.0
109.10169	6.0
111.08086	1.0
113.00017	100.0
113.09679	1.0
119.08588	1.9
121.10150	2.3
123.11708	3.0
131.01021	1.4
131.20932	0.8
133.10155	3.2
135.11740	1.5
137.09619	0.9
137.13306	1.5
146.99998	0.7
147.11661	1.8
149.13295	1.3
161.13289	1.6
165.16406	0.9
169.02615	99.6
175.14757	0.8
187.03709	1.5
227.19998	1.5
245.22717	4.8
263.23672	7.9
281.93829	0.7
337.27362	59.4
338.27844	1.9
431.25443	1.0
568.74121	0.8
879.51642	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	879.5082
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	4.2
65.03921	0.3
67.05499	11.6
68.05839	0.8
69.03421	3.8
69.07063	4.7
70.06577	0.6
70.57040	0.9
71.01353	0.3
71.04979	0.8
73.02913	2.7
79.05483	4.8
80.05812	0.4
81.03416	2.5
81.07048	6.8
83.04993	1.1
83.06062	0.3
83.08603	2.0
85.02901	4.3
85.06527	0.4
86.09695	0.6
87.04471	0.7
89.96016	0.3
91.03955	2.5
91.05469	4.9
92.05819	0.3
93.07027	5.4
95.04947	1.9
95.06039	0.3
95.08587	3.0
95.09045	0.3
97.02878	4.3
97.06542	1.2
97.10155	2.1
99.04471	0.5
99.08086	0.5
101.02383	1.2
103.03958	0.3
105.07013	3.3
106.07380	0.2
107.04958	0.9
107.08576	3.3
107.09156	0.2
109.02867	0.6
109.06560	0.7
109.10147	6.0
110.07174	1.8
110.10500	1.0
111.08091	0.8
117.07034	1.2
119.08559	2.4
119.96121	0.3
121.06528	0.9
121.10155	1.2
123.08073	0.8
123.11716	0.4
125.09635	1.8
127.03911	1.1
129.07034	0.4
131.08559	1.5
132.08961	0.3
133.06509	0.5
133.10126	1.1
135.08086	0.5
135.10768	0.3
135.11620	1.3
135.36031	0.3
137.09615	0.5
143.08607	0.5
145.10149	1.2
147.08060	0.6
147.11703	1.2
149.09636	0.6
149.13261	0.6
157.10149	0.6
159.11717	1.0
161.09633	0.5
163.11198	0.5
167.85757	0.3
171.11688	0.6
173.11787	1.8
173.13153	0.4
174.10100	0.2
184.07251	0.5
185.04260	0.3
189.11304	0.4
203.05344	0.3
223.13293	0.8
227.12888	0.6
229.14313	4.9
230.14609	1.6
243.08377	2.8
250.95248	0.3
259.07834	0.3
273.18509	0.8
274.18924	0.6
275.20139	0.4
291.19513	4.3
292.19785	2.3
298.32928	0.3
301.09048	0.4
313.09064	0.4
315.10623	0.5
323.22360	0.3
333.20291	1.2
348.22672	0.4
351.21378	2.1
364.14667	0.4
365.23273	2.1
366.23511	2.0
371.17230	0.4
389.22903	0.6
407.24231	0.6
413.17563	0.4
439.19394	0.6
439.27219	0.3
450.20355	0.5
450.70285	0.6
453.21133	0.7
490.13303	0.3
499.21732	0.7
519.33118	4.1
519.40253	0.3
520.33496	8.4
551.28217	5.7
551.36322	0.5
569.29266	6.1
638.08936	0.3
718.46405	1.8
743.39685	0.4
879.50641	100.0
880.51154	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	879.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	0.8
66.89001	0.4
67.05506	32.8
68.05814	0.4
69.06725	0.5
69.07070	7.0
71.04980	1.1
71.08639	0.4
77.03919	0.5
79.05495	18.2
81.07059	32.2
82.61716	0.3
83.04976	0.7
83.08620	3.4
85.06555	0.6
91.05482	10.0
93.07047	21.5
95.04958	2.0
95.08609	25.6
97.06535	1.3
97.10164	1.2
98.98462	6.5
99.08115	0.5
105.07030	6.6
107.08601	11.6
109.06496	0.9
109.10158	9.6
111.08077	0.7
113.00021	34.5
113.09628	0.6
117.07020	1.8
119.08588	5.7
121.09312	0.7
121.10141	9.3
122.47365	0.4
123.08058	1.1
123.11706	2.9
129.05498	0.7
131.00009	0.3
131.00992	0.5
131.08566	3.8
133.10130	3.4
135.11699	6.5
137.09607	0.4
137.13232	0.9
145.10130	3.7
147.11659	2.1
149.09586	0.5
149.13266	3.0
151.14864	0.5
155.00981	2.0
159.11711	2.1
161.13255	1.9
163.14877	2.4
165.12836	0.4
169.02617	14.5
173.13248	2.4
175.14856	0.6
177.16353	0.6
187.03680	4.0
187.14880	1.3
201.16432	0.6
227.20067	0.4
234.03305	0.4
243.21082	4.9
258.16595	0.3
261.22162	11.0
294.30933	0.4
314.41043	0.4
317.24832	1.8
335.25809	100.0
335.77167	0.4
336.26135	2.5
373.39709	0.4
379.87732	0.4
879.45776	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4772
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03950	1.0
67.05505	28.8
69.03442	0.6
69.07069	6.9
69.89870	3.7
71.32136	0.7
79.05491	15.3
81.07056	26.4
83.08595	2.6
85.06554	0.7
91.05481	8.7
93.07037	19.2
95.04954	2.3
95.08601	21.5
97.06528	1.6
97.10175	0.9
97.66268	0.7
98.98468	3.0
105.07026	6.0
107.08592	9.2
109.06472	0.7
109.10151	9.4
111.08042	0.8
113.00014	25.3
117.07014	1.7
119.08611	3.9
121.10144	9.1
123.11741	3.2
131.08578	3.7
133.10112	2.8
135.11667	4.2
137.13228	0.9
145.10115	1.3
147.11641	2.0
149.13272	3.3
155.01012	1.0
159.11702	1.8
161.13235	1.8
163.14769	1.3
169.02615	11.9
170.09877	0.8
173.13275	2.2
175.14844	1.3
177.16364	0.9
187.03659	3.0
187.14920	0.8
205.15958	0.8
243.21141	2.7
261.22159	7.0
261.46899	0.7
311.04837	0.6
317.24655	1.7
318.37125	0.7
335.25787	100.0
336.26099	3.0
842.49219	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
62.27016	0.1
69.40363	1.1
69.40787	0.3
70.06585	1.8
72.08157	0.5
78.01376	0.1
81.03419	0.2
83.33510	0.1
84.04517	0.3
84.08152	0.5
85.02913	0.3
85.03988	0.2
86.09708	0.5
89.06007	0.2
95.08631	0.1
95.80821	0.2
97.02916	0.2
102.05508	0.2
105.07172	0.2
105.99889	0.1
107.04971	0.7
110.07188	0.4
111.04239	0.3
116.07114	0.2
120.08120	0.2
121.02886	0.2
127.03751	0.3
131.04965	0.2
136.07658	0.2
137.05992	0.3
141.50037	0.1
155.06830	0.2
171.06400	0.2
193.12262	0.2
199.09413	0.2
213.12396	0.2
235.84460	0.1
242.02974	0.1
243.12056	0.2
309.11279	0.3
314.04355	0.3
321.11337	0.2
329.06793	0.8
423.10794	0.4
507.15671	0.2
703.03503	0.2
771.43634	0.3
877.49719	100.0
878.50024	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	879.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.4
67.05504	29.7
68.05807	0.4
69.07074	6.7
69.07465	0.6
70.66421	1.1
71.04980	0.7
79.05492	16.6
81.03419	0.7
81.07056	28.2
83.04984	0.5
83.08624	3.2
83.94156	0.5
85.06544	0.9
90.04135	0.4
91.05476	8.5
93.07044	18.1
95.04980	2.2
95.08607	24.0
97.06509	1.2
97.10127	1.0
98.98454	3.4
99.08063	0.7
105.07034	5.5
107.08591	9.7
109.06477	0.9
109.10160	8.9
111.08099	0.8
113.00014	28.7
117.07032	1.9
119.08564	3.6
121.09312	0.6
121.10136	7.5
123.08091	0.7
123.11721	2.7
123.26634	0.4
131.01031	0.4
131.08574	3.8
133.10132	3.3
135.11710	4.6
137.09702	0.4
137.13261	0.7
145.10104	1.8
147.11693	2.3
149.13280	2.8
151.11195	0.4
155.01027	1.3
159.11681	2.5
161.13278	1.2
163.14818	1.8
169.02609	12.1
173.02107	0.7
173.13292	2.1
175.14906	0.5
176.86346	0.3
184.07359	0.8
187.03667	3.4
187.14793	0.7
243.21140	3.3
261.22137	8.5
267.16183	0.5
291.17877	0.4
317.24741	1.7
335.25797	100.0
336.26096	2.8
540.77936	0.5
649.19165	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.5141
Annotation	Unknow
Peak:m/z	Relative Intensity
63.86052	0.4
69.03434	0.3
71.04961	0.4
73.02909	1.3
73.06553	2.5
77.03921	0.6
79.05492	5.7
84.49377	0.3
87.04462	13.9
89.06022	69.0
91.05469	11.5
93.07062	1.9
95.04964	2.3
98.21522	0.5
103.05455	7.2
105.07019	100.0
106.07355	1.2
107.04967	2.5
107.07059	2.9
113.05992	0.6
115.05419	0.4
115.07561	0.4
116.06223	0.7
117.06993	2.2
117.09129	2.6
119.04942	1.2
119.08566	5.7
121.06498	13.8
121.07364	0.7
128.06206	1.3
129.07004	4.1
130.08572	1.6
131.07057	3.7
131.08554	11.0
132.05710	1.4
133.06464	1.3
133.08591	40.2
133.10179	1.3
134.09007	0.4
135.08075	0.4
143.08598	0.4
145.06464	0.9
147.08032	46.7
149.09602	10.3
159.10136	0.4
161.84996	0.3
163.07570	0.4
163.11166	0.8
165.09108	1.0
166.07805	0.5
173.09627	1.7
175.09682	2.1
175.11069	0.5
177.11211	10.2
178.07826	0.4
179.08606	0.4
181.10110	1.8
191.10641	0.8
192.09193	0.3
195.43144	0.3
208.08757	0.5
209.11568	0.6
209.13303	0.4
221.09564	0.5
221.13857	0.9
223.11171	2.7
225.12721	24.6
235.13034	0.5
237.12642	0.5
249.12714	3.8
251.14307	4.1
255.15910	0.7
267.13818	0.8
269.15326	2.7
295.16821	0.7
311.16296	0.9
313.17993	0.5
327.17380	1.0
329.18842	0.6
373.21561	5.6
422.67139	0.3
435.98898	0.4
558.38171	0.4
609.07153	0.3
834.38251	0.4
875.44348	0.5
875.64673	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33916	0.2
65.03941	0.2
67.84053	0.2
69.03419	0.3
69.71760	1.6
73.02908	1.1
73.06544	2.7
77.03941	0.6
79.05481	7.0
87.04459	12.8
89.06019	62.9
91.05468	12.8
91.07575	0.4
93.07035	2.1
93.80090	0.2
95.04961	3.0
95.89397	0.2
98.20776	0.2
103.05457	9.0
104.06277	0.2
105.07016	100.0
106.07360	1.0
107.04951	2.4
107.07055	2.5
113.06014	0.6
115.05430	0.7
115.07546	0.2
116.06217	0.7
117.07005	2.6
117.09104	2.0
119.04955	1.7
119.08567	6.8
121.06493	14.4
128.06210	2.1
129.06987	4.9
130.08611	1.4
131.04881	0.3
131.07062	2.9
131.08545	9.5
132.05768	1.0
133.06470	0.7
133.08583	34.3
133.10172	1.2
134.08920	0.3
135.08032	0.9
135.10133	0.4
145.06482	1.9
147.08025	47.8
148.08336	0.8
149.09601	10.8
153.06996	0.3
155.06038	0.4
155.08574	0.3
156.05013	0.2
161.11679	0.5
163.07494	0.3
163.11177	0.5
165.06960	0.6
165.09087	1.1
166.07738	0.6
167.08421	0.3
171.07988	0.3
173.09601	1.4
175.09624	1.6
175.11070	0.4
177.09621	0.5
177.11195	9.1
178.07727	0.4
179.08565	0.6
179.12793	0.3
181.10114	1.8
189.00389	0.2
191.10648	0.9
192.09250	0.4
193.10446	0.4
193.12285	0.5
194.07219	0.3
207.11703	0.5
208.08858	0.5
209.09628	0.3
209.13326	0.4
219.12064	0.3
220.08774	0.3
221.09445	0.5
221.13741	0.8
223.11163	3.0
225.12708	22.6
226.12933	0.4
235.11189	0.3
237.12682	0.5
249.12683	4.5
251.14313	3.2
255.15829	0.5
267.13712	0.9
269.15286	2.1
278.78229	0.2
283.17612	0.3
295.16928	0.4
299.18033	0.3
311.16281	0.8
313.17825	0.8
315.17767	0.3
327.17181	0.5
329.18994	0.5
355.20627	0.2
373.21649	3.1
468.11560	0.3
597.56366	0.2
665.77136	0.2
831.05988	0.2
875.44983	0.4
875.64093	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.5138
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02909	0.8
73.06544	1.7
77.03905	0.3
79.05481	5.0
80.79088	0.2
87.04459	8.9
89.06023	40.2
91.05470	3.7
91.07585	0.4
93.07027	1.1
95.04967	2.1
98.21561	0.4
103.05454	5.0
105.07019	100.0
106.07357	1.0
107.04948	0.4
107.07048	2.2
113.05978	0.3
115.05425	0.3
116.01807	0.2
116.06255	0.4
117.06983	0.7
117.09113	1.2
119.04949	1.1
119.08590	1.2
121.06496	5.3
128.06195	0.2
129.06998	1.4
130.08633	1.2
131.07048	2.5
131.08543	5.5
133.08588	23.3
133.10184	0.9
135.08026	0.3
145.06505	0.7
147.08046	3.8
149.09537	1.1
159.10143	0.3
161.11652	0.3
165.06935	0.7
165.09055	0.8
166.07713	0.8
173.09567	0.5
175.09654	1.6
175.10902	0.3
177.11221	6.2
191.10628	0.7
192.09213	0.4
193.12276	0.4
207.11559	0.2
209.11546	0.3
209.13272	0.3
211.13139	0.3
221.13753	0.5
223.11137	1.5
225.12714	13.8
227.12741	0.2
230.16920	0.3
239.14352	0.4
249.12653	0.6
251.14336	2.3
255.15800	0.3
267.13754	0.7
267.16980	0.3
269.15329	3.3
271.15356	0.5
279.15436	0.3
295.16797	0.6
311.16196	0.4
313.17972	0.4
327.17465	1.3
329.19006	0.7
373.21573	5.3
444.25256	0.3
461.28049	0.2
875.48889	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.5135
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03408	0.3
73.02922	0.8
73.03283	0.2
73.06551	1.7
77.03916	0.5
79.05486	4.5
87.04458	9.0
89.06021	40.3
90.06332	0.3
91.05467	3.7
91.07564	0.3
93.07048	0.9
95.04961	2.3
103.05456	5.5
105.07018	100.0
106.07363	1.2
107.04955	0.4
107.07060	2.4
113.06007	0.5
115.05413	0.3
116.06224	0.5
117.06947	0.8
117.09119	1.3
119.04932	0.7
119.08567	1.3
121.06490	6.7
128.06183	0.3
129.06979	1.5
130.08636	1.2
131.07045	2.9
131.08548	5.5
132.67039	0.2
133.08588	24.9
133.10187	0.7
134.08894	0.2
135.08076	0.2
135.10185	0.3
145.06458	0.6
147.08040	4.1
149.09625	1.1
151.09627	0.2
153.06984	0.2
155.08401	0.2
159.10123	0.2
161.11699	0.3
163.07440	0.2
163.11145	0.2
165.06964	0.9
165.09085	0.7
166.07771	0.7
169.10081	0.4
173.09541	0.4
175.09683	1.4
175.11053	0.3
177.11205	6.8
178.07736	0.2
179.08525	0.3
182.37396	0.2
191.10648	0.5
192.09331	0.3
193.12245	0.5
197.09489	0.2
207.11581	0.4
209.09891	0.2
209.11719	0.6
211.13235	0.3
219.12215	0.3
221.09555	0.2
221.13800	0.7
223.11171	1.6
223.15463	0.2
225.12709	13.2
226.12991	0.4
227.12581	0.4
235.13049	0.3
239.14508	0.5
249.12712	0.5
251.14314	2.5
253.16061	0.2
267.13748	0.5
269.15366	3.4
271.15448	0.2
283.17493	0.3
295.16827	0.7
299.18570	0.2
311.16443	0.3
313.17911	0.8
315.17941	0.3
327.17242	1.0
329.18961	0.8
355.20032	0.3
373.21576	5.6
461.41125	0.2
491.95654	0.2
519.26898	0.2
580.28351	0.2
626.00989	0.2
705.69775	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.4824
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.2
67.05505	21.7
69.07071	5.4
70.40046	1.0
70.71162	0.5
71.04989	0.6
79.05493	14.4
81.07057	19.5
83.05002	0.5
83.08628	2.6
85.06540	0.7
89.06036	0.7
91.05490	7.1
93.07043	18.2
95.04942	2.2
95.08608	15.3
97.06562	0.9
97.10196	1.1
99.08092	0.7
103.05455	0.6
105.07032	5.5
107.08599	8.9
109.06509	0.7
109.10159	5.5
111.08086	0.8
113.00016	100.0
117.07009	2.4
119.08591	3.4
120.15824	0.4
121.10153	6.8
123.08010	0.7
123.11701	2.7
123.44533	0.4
131.01042	2.0
131.08562	4.0
133.10121	3.1
135.11674	5.3
137.09607	1.1
137.13242	1.4
139.01547	0.6
145.10133	3.4
147.11682	2.2
149.09546	0.5
149.13246	3.9
151.01556	0.5
151.14821	0.5
154.02666	0.5
155.01083	0.6
159.11714	2.1
161.13223	2.2
163.14832	1.9
169.02614	75.4
173.13258	2.3
175.14795	1.1
177.16391	1.3
187.03706	2.1
187.14818	1.5
201.16391	0.7
205.15898	0.4
227.20146	0.8
233.22682	1.2
243.21114	5.8
249.24973	0.4
261.22144	15.9
317.24655	1.0
326.04822	0.5
335.25787	53.4
336.26169	1.0
494.84305	0.5
706.35687	0.5
864.14801	0.5
875.63770	0.6
907.78998	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	0.8
67.05503	21.0
69.07065	4.8
71.32635	1.5
79.05496	13.6
81.07059	22.5
83.08634	2.0
91.05487	7.8
93.07043	17.2
95.04982	2.0
95.08613	16.6
95.75574	0.8
97.06478	0.7
97.10185	0.9
105.06987	4.0
107.08592	8.5
109.10167	7.8
113.00018	100.0
117.07015	1.6
119.08588	3.4
121.10133	8.2
123.11704	2.5
125.00003	1.0
131.01007	1.8
131.08537	4.3
133.10120	3.2
135.11700	5.6
137.13257	1.1
145.10133	2.0
147.11708	2.1
149.13232	3.8
151.01485	0.8
154.02646	1.3
159.11740	1.7
161.13243	1.8
163.14828	2.0
169.02615	72.0
173.13313	3.0
177.12549	0.8
184.07356	2.1
187.03667	2.1
187.14845	1.7
195.32919	0.7
199.28024	0.8
201.16476	0.8
233.22554	1.4
243.21066	6.0
261.22159	12.0
317.24747	0.8
324.74503	0.7
334.30185	0.7
335.25787	49.6
473.53726	0.7
685.63837	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02903	0.6
65.03918	0.4
67.05478	1.1
69.03419	0.7
69.07034	0.4
70.06581	4.6
70.31065	1.5
72.08144	0.7
79.05464	1.6
80.04990	1.0
80.31018	0.4
81.03399	0.9
81.05788	0.5
81.07024	1.5
83.04965	0.4
84.04484	0.5
85.02877	0.8
86.09705	3.8
91.05472	1.7
93.07035	0.7
94.06542	2.1
95.04942	1.6
95.08611	0.7
96.08110	0.4
97.02886	0.6
102.05550	0.4
105.07011	1.6
106.06536	2.4
107.04944	10.2
107.07326	7.4
107.08501	0.5
108.04441	0.4
108.08116	3.3
109.10163	0.7
110.06043	0.9
119.04942	0.8
120.08120	2.4
121.02870	0.7
121.06506	1.0
121.08855	1.0
122.06015	0.9
122.09650	16.7
124.07575	1.6
125.89060	0.4
134.06030	0.6
135.06778	2.7
136.07549	0.8
141.10201	0.6
145.10083	0.4
147.04393	2.4
148.07552	1.3
150.09125	100.0
151.09467	1.3
152.07039	5.0
154.08765	0.4
159.09189	0.6
164.07016	0.6
166.08623	13.3
167.08275	0.4
169.09743	1.0
170.08113	0.6
172.03906	0.7
183.14828	0.4
190.05084	0.7
194.09653	1.0
195.07983	0.6
196.07581	0.5
198.09320	0.5
199.12181	0.5
204.06490	1.2
204.08165	1.3
207.06784	1.1
210.09157	1.4
211.12358	1.0
211.14362	0.8
212.10632	0.5
220.07523	0.9
221.08369	0.5
222.09151	5.6
222.11237	0.8
223.07852	0.4
223.09900	0.7
223.12187	0.7
224.10658	1.6
224.12817	0.5
225.10175	0.4
226.08673	0.5
227.11674	0.5
232.07581	1.5
233.08443	1.2
235.06300	1.6
235.08571	0.6
235.12383	0.5
236.07063	0.8
237.08052	0.4
237.10260	1.5
237.13908	0.5
238.08653	3.9
238.10806	0.7
239.09647	0.5
239.11739	1.7
240.10176	1.1
242.11725	2.3
244.09695	2.7
249.07875	0.8
249.10269	3.0
250.08627	29.1
250.10933	2.1
251.09065	0.7
251.11662	3.2
252.10315	1.0
253.09753	0.8
253.13327	0.5
254.08005	0.4
255.11110	0.6
256.12149	0.8
260.06976	0.6
260.12790	0.7
263.08701	0.5
263.11765	6.4
264.12628	1.4
265.09735	1.3
265.13367	3.0
266.08078	5.5
266.10681	0.6
267.08673	0.7
267.11279	1.2
267.15128	0.4
270.11008	0.5
272.12805	1.3
275.11844	1.0
277.07196	0.5
277.09671	1.9
278.08075	40.3
279.08450	1.3
279.11319	3.5
280.09637	1.7
281.12857	2.0
282.11249	4.2
282.13910	0.5
283.10977	1.0
283.14261	0.7
285.12399	1.2
287.11710	0.4
289.13361	1.2
290.14120	1.0
291.11258	4.6
292.12039	1.4
293.12796	6.2
295.10757	2.1
296.11575	0.5
297.12280	3.3
298.10712	3.2
301.13132	0.8
303.14984	2.0
304.15707	0.4
307.10791	0.5
309.12329	6.6
310.10678	25.3
311.10605	0.6
311.13986	1.5
313.13394	1.6
314.10709	0.5
314.14035	0.9
315.11377	0.7
315.14825	0.9
316.12091	0.8
317.12863	1.1
317.16428	0.6
319.10712	3.4
323.16507	2.2
325.11719	2.4
327.11285	2.2
327.14642	0.6
328.12064	1.8
329.12823	5.6
330.13544	1.4
331.14426	1.1
337.11804	11.1
340.12094	0.5
340.15924	0.5
341.12787	4.7
341.16354	0.6
342.13553	4.0
343.14337	3.2
344.15033	0.8
345.15906	1.5
351.13364	1.4
355.14355	1.6
355.21445	0.6
356.15222	0.8
357.16010	2.3
358.13248	1.2
359.13806	2.2
359.17584	0.8
363.17157	2.3
367.10440	0.5
367.18008	0.5
368.13620	1.2
369.14651	3.1
370.13232	1.5
371.13852	5.1
371.17630	1.2
372.14105	0.4
373.15466	0.9
375.17383	0.5
376.15262	1.1
377.14807	1.3
381.15775	1.0
383.13760	2.7
384.14731	1.0
385.15546	2.2
387.17178	3.9
388.14056	0.6
389.14682	5.2
389.18637	0.8
395.17410	0.5
399.16989	2.2
401.14938	12.8
402.14447	0.5
403.16699	2.3
405.18188	0.9
413.14978	1.6
414.18167	0.4
415.16470	24.6
416.16989	0.4
417.18005	1.1
419.16010	0.7
423.17230	0.5
429.18195	0.5
430.14026	0.4
431.15985	5.0
433.17545	1.4
443.15814	2.5
446.20627	1.0
447.19119	52.4
448.19415	0.7
452.23358	0.6
457.17017	0.4
461.16513	0.4
462.17819	0.5
463.18445	1.7
466.21661	0.4
474.20251	2.8
475.18744	1.3
478.21439	0.6
494.24261	0.5
506.22824	6.5
508.25888	0.7
512.25531	0.6
520.22095	1.2
525.20288	1.3
536.25421	1.1
537.20276	0.7
538.23248	3.0
547.31372	1.3
554.26544	6.2
568.24615	2.4
580.24359	23.2
581.24982	0.8
598.25800	0.9
600.24969	1.2
612.26984	43.8
613.27161	1.4
630.29877	0.6
631.27124	0.7
632.27252	1.2
656.27490	0.7
674.28503	14.8
675.29095	0.9
688.30127	0.6
701.29541	0.6
706.31055	2.6
719.30988	1.2
737.31354	1.2
803.36389	0.8
875.37469	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02903	0.6
65.03918	0.4
67.05478	1.1
69.03419	0.7
69.07034	0.4
70.06581	4.6
70.31065	1.5
72.08144	0.7
79.05464	1.6
80.04990	1.0
80.31018	0.4
81.03399	0.9
81.05788	0.5
81.07024	1.5
83.04965	0.4
84.04484	0.5
85.02877	0.8
86.09705	3.8
91.05472	1.7
93.07035	0.7
94.06542	2.1
95.04942	1.6
95.08611	0.7
96.08110	0.4
97.02886	0.6
102.05550	0.4
105.07011	1.6
106.06536	2.4
107.04944	10.2
107.07326	7.4
107.08501	0.5
108.04441	0.4
108.08116	3.3
109.10163	0.7
110.06043	0.9
119.04942	0.8
120.08120	2.4
121.02870	0.7
121.06506	1.0
121.08855	1.0
122.06015	0.9
122.09650	16.7
124.07575	1.6
125.89060	0.4
134.06030	0.6
135.06778	2.7
136.07549	0.8
141.10201	0.6
145.10083	0.4
147.04393	2.4
148.07552	1.3
150.09125	100.0
151.09467	1.3
152.07039	5.0
154.08765	0.4
159.09189	0.6
164.07016	0.6
166.08623	13.3
167.08275	0.4
169.09743	1.0
170.08113	0.6
172.03906	0.7
183.14828	0.4
190.05084	0.7
194.09653	1.0
195.07983	0.6
196.07581	0.5
198.09320	0.5
199.12181	0.5
204.06490	1.2
204.08165	1.3
207.06784	1.1
210.09157	1.4
211.12358	1.0
211.14362	0.8
212.10632	0.5
220.07523	0.9
221.08369	0.5
222.09151	5.6
222.11237	0.8
223.07852	0.4
223.09900	0.7
223.12187	0.7
224.10658	1.6
224.12817	0.5
225.10175	0.4
226.08673	0.5
227.11674	0.5
232.07581	1.5
233.08443	1.2
235.06300	1.6
235.08571	0.6
235.12383	0.5
236.07063	0.8
237.08052	0.4
237.10260	1.5
237.13908	0.5
238.08653	3.9
238.10806	0.7
239.09647	0.5
239.11739	1.7
240.10176	1.1
242.11725	2.3
244.09695	2.7
249.07875	0.8
249.10269	3.0
250.08627	29.1
250.10933	2.1
251.09065	0.7
251.11662	3.2
252.10315	1.0
253.09753	0.8
253.13327	0.5
254.08005	0.4
255.11110	0.6
256.12149	0.8
260.06976	0.6
260.12790	0.7
263.08701	0.5
263.11765	6.4
264.12628	1.4
265.09735	1.3
265.13367	3.0
266.08078	5.5
266.10681	0.6
267.08673	0.7
267.11279	1.2
267.15128	0.4
270.11008	0.5
272.12805	1.3
275.11844	1.0
277.07196	0.5
277.09671	1.9
278.08075	40.3
279.08450	1.3
279.11319	3.5
280.09637	1.7
281.12857	2.0
282.11249	4.2
282.13910	0.5
283.10977	1.0
283.14261	0.7
285.12399	1.2
287.11710	0.4
289.13361	1.2
290.14120	1.0
291.11258	4.6
292.12039	1.4
293.12796	6.2
295.10757	2.1
296.11575	0.5
297.12280	3.3
298.10712	3.2
301.13132	0.8
303.14984	2.0
304.15707	0.4
307.10791	0.5
309.12329	6.6
310.10678	25.3
311.10605	0.6
311.13986	1.5
313.13394	1.6
314.10709	0.5
314.14035	0.9
315.11377	0.7
315.14825	0.9
316.12091	0.8
317.12863	1.1
317.16428	0.6
319.10712	3.4
323.16507	2.2
325.11719	2.4
327.11285	2.2
327.14642	0.6
328.12064	1.8
329.12823	5.6
330.13544	1.4
331.14426	1.1
337.11804	11.1
340.12094	0.5
340.15924	0.5
341.12787	4.7
341.16354	0.6
342.13553	4.0
343.14337	3.2
344.15033	0.8
345.15906	1.5
351.13364	1.4
355.14355	1.6
355.21445	0.6
356.15222	0.8
357.16010	2.3
358.13248	1.2
359.13806	2.2
359.17584	0.8
363.17157	2.3
367.10440	0.5
367.18008	0.5
368.13620	1.2
369.14651	3.1
370.13232	1.5
371.13852	5.1
371.17630	1.2
372.14105	0.4
373.15466	0.9
375.17383	0.5
376.15262	1.1
377.14807	1.3
381.15775	1.0
383.13760	2.7
384.14731	1.0
385.15546	2.2
387.17178	3.9
388.14056	0.6
389.14682	5.2
389.18637	0.8
395.17410	0.5
399.16989	2.2
401.14938	12.8
402.14447	0.5
403.16699	2.3
405.18188	0.9
413.14978	1.6
414.18167	0.4
415.16470	24.6
416.16989	0.4
417.18005	1.1
419.16010	0.7
423.17230	0.5
429.18195	0.5
430.14026	0.4
431.15985	5.0
433.17545	1.4
443.15814	2.5
446.20627	1.0
447.19119	52.4
448.19415	0.7
452.23358	0.6
457.17017	0.4
461.16513	0.4
462.17819	0.5
463.18445	1.7
466.21661	0.4
474.20251	2.8
475.18744	1.3
478.21439	0.6
494.24261	0.5
506.22824	6.5
508.25888	0.7
512.25531	0.6
520.22095	1.2
525.20288	1.3
536.25421	1.1
537.20276	0.7
538.23248	3.0
547.31372	1.3
554.26544	6.2
568.24615	2.4
580.24359	23.2
581.24982	0.8
598.25800	0.9
600.24969	1.2
612.26984	43.8
613.27161	1.4
630.29877	0.6
631.27124	0.7
632.27252	1.2
656.27490	0.7
674.28503	14.8
675.29095	0.9
688.30127	0.6
701.29541	0.6
706.31055	2.6
719.30988	1.2
737.31354	1.2
803.36389	0.8
875.37469	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.6445
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	0.6
67.05508	2.6
68.05018	0.7
69.03428	0.6
69.07059	1.0
70.06586	4.6
71.08629	0.9
72.04502	0.6
72.08150	18.3
73.02943	0.6
79.05494	1.6
81.03407	0.6
81.07044	2.2
83.08629	0.4
84.04504	0.6
84.08157	1.0
85.10154	0.5
86.06064	1.7
86.09708	1.7
87.04470	3.0
88.07623	1.6
89.06027	9.4
91.05476	1.6
93.07037	1.5
94.06567	0.6
95.04982	0.8
95.08608	1.8
97.02888	0.4
98.21496	1.1
100.07619	3.8
102.09189	0.6
105.07033	2.1
107.04977	0.6
107.08577	0.8
109.10157	1.1
112.07612	1.8
113.00018	1.6
114.09199	0.9
116.10737	0.7
119.08575	0.6
121.06474	0.7
121.10104	0.7
129.07008	0.8
130.08640	0.6
132.10233	0.5
133.08620	1.4
133.10092	0.4
137.09691	0.4
139.79086	0.4
169.02646	1.5
176.92412	0.4
184.07365	1.7
220.15598	0.5
264.18155	1.2
266.28607	1.3
268.30170	0.6
275.20102	0.6
282.31537	12.5
294.68701	0.4
298.30939	0.6
308.20761	2.2
312.32803	0.5
335.25684	1.2
352.23288	1.6
396.25952	1.7
430.39258	0.7
474.41669	1.4
518.43884	3.2
551.11096	0.5
562.46350	2.9
606.49243	2.2
650.52264	1.2
712.46716	0.5
874.64490	100.0
875.46851	1.2
875.64844	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	875.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03403	1.2
70.06567	0.3
71.59404	0.6
72.93778	1.9
76.65421	0.2
77.03936	0.4
79.05480	0.8
80.65199	0.3
81.03406	1.6
85.02889	0.8
88.96877	0.5
90.94814	1.8
95.04955	1.6
97.02876	2.6
99.04408	0.4
105.03388	0.3
105.04533	0.3
107.04942	45.8
108.05277	1.2
108.95855	1.2
109.02873	1.3
116.98582	0.6
123.04415	9.6
127.03892	0.3
132.95828	2.4
134.97446	0.4
134.99672	0.5
140.70877	0.3
140.96364	0.3
144.95808	1.0
146.97377	0.5
146.99593	0.3
147.04373	0.4
148.95326	0.8
148.98907	0.8
150.96864	1.9
150.99071	0.3
153.97105	0.4
156.95859	0.6
158.97374	3.8
161.01199	0.3
162.96950	1.5
162.98244	0.5
166.96349	1.0
168.95844	0.9
169.00182	0.4
170.97362	0.4
170.99593	0.3
174.96873	1.4
176.96228	3.6
176.98419	3.1
178.97852	3.5
179.00169	1.6
180.99477	1.2
181.06404	0.5
182.59216	0.3
184.98880	0.4
186.96843	2.0
188.98457	0.9
190.96352	0.8
192.97946	0.6
193.00114	0.3
194.97374	40.2
195.97729	0.4
196.98981	3.4
197.01201	9.8
198.96890	3.0
201.28313	0.3
203.00011	0.5
204.97928	0.6
206.95796	1.1
208.99014	1.1
210.98877	0.5
211.97314	0.4
211.98941	0.6
212.98428	69.6
213.98692	1.2
215.02234	2.9
216.97861	4.0
217.98947	2.4
219.01808	0.7
220.02795	0.5
220.98933	1.2
222.96924	0.4
224.98399	0.6
227.00064	0.8
230.99509	0.4
232.99077	1.9
234.98920	24.5
235.97710	0.8
235.99998	0.5
236.98418	9.5
237.00273	0.5
237.02638	2.6
238.99937	0.8
239.02234	0.6
247.00558	0.8
247.97787	0.4
248.98433	2.8
249.02094	6.6
251.00005	2.0
252.97830	4.3
253.00093	3.8
254.99448	0.8
255.01813	1.5
258.00580	0.9
260.98431	4.2
262.99936	2.4
265.01605	0.4
265.98746	0.4
267.00745	0.2
267.03131	6.2
272.98410	14.4
273.98804	0.5
274.99524	0.6
275.02365	0.6
276.99771	0.7
277.02444	0.5
278.99472	2.4
281.00998	0.9
283.00449	6.7
285.02087	0.7
287.00320	0.4
290.04724	0.3
290.99426	1.6
292.99435	12.5
295.02695	1.5
298.99951	0.6
301.01620	2.0
302.99518	1.3
304.35886	0.3
305.01001	0.4
307.07043	0.3
309.00436	0.7
310.01767	0.4
310.05844	0.3
311.02087	27.2
312.02200	0.6
313.05762	0.4
319.02499	0.8
321.00470	0.7
323.01614	5.9
325.01413	1.5
327.03165	0.3
334.02475	0.5
337.01862	0.5
338.00958	1.4
339.01575	100.0
340.01852	2.5
341.05615	1.8
343.02664	0.8
351.03687	3.5
353.03284	0.7
355.02466	0.3
359.02173	0.3
379.02994	2.0
383.06470	0.4
385.03555	1.1
397.04727	0.3
399.03339	3.5
403.04352	0.3
415.03293	0.7
417.06296	0.9
439.10306	0.4
444.05630	0.5
445.05688	13.0
446.06409	0.6
447.07416	1.5
457.08286	3.2
463.06763	2.4
469.12402	0.4
473.07434	2.2
485.07629	1.1
486.08182	0.6
498.11060	0.4
501.06613	0.9
519.97729	0.3
521.07574	1.5
561.10870	0.4
579.11554	1.2
607.10962	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.5497
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02901	3.2
65.03928	5.7
67.05499	100.0
68.05833	1.4
69.03427	8.5
69.07062	40.8
70.04519	2.6
70.04932	3.5
70.06571	1.7
71.01332	2.1
71.04985	8.3
71.08642	1.3
73.02882	1.8
77.03917	1.6
79.05486	70.3
81.03408	10.7
81.07049	96.8
83.04981	12.9
83.08607	23.6
85.02884	6.5
85.06541	5.7
86.09686	2.8
91.05472	57.9
93.07034	71.8
95.04957	17.3
95.08599	43.4
95.22811	1.0
95.86663	1.1
97.02873	6.0
97.06519	17.7
97.10160	13.1
99.04433	2.1
99.08053	2.9
103.05454	1.9
105.07018	49.4
107.04948	12.6
107.08582	52.0
109.02881	3.1
109.06506	12.9
109.10146	38.4
109.10909	1.5
111.04416	1.2
111.08055	8.5
113.09621	1.5
115.05444	3.6
116.06226	1.2
117.07011	24.1
119.06065	1.3
119.08566	35.6
120.05799	1.2
121.06496	6.3
121.10124	27.3
123.04396	1.3
123.08036	8.3
123.11697	6.3
125.09600	12.5
127.03873	2.1
128.06171	3.2
129.05519	1.4
129.06989	7.6
130.07806	1.7
131.07091	1.4
131.08553	30.3
133.06461	3.7
133.10112	30.1
135.08055	7.8
135.11684	18.4
137.09615	5.3
139.11188	1.8
141.06921	3.5
143.08546	6.8
145.06468	3.7
145.10112	24.0
147.08028	3.8
147.11664	17.8
149.09622	15.4
149.13219	15.1
151.11162	3.7
153.09081	1.3
155.08542	5.3
157.10133	9.0
159.11681	20.3
161.09535	2.4
161.13261	6.1
163.11169	10.8
165.09076	2.0
165.12732	4.3
169.10101	6.6
171.11592	5.8
173.04459	2.2
173.09557	1.4
173.11728	6.2
173.13261	9.0
173.40685	1.3
175.11070	2.4
175.14890	1.5
177.12729	5.5
179.14294	3.1
181.10033	1.1
183.11673	5.2
184.07326	3.2
185.13280	4.1
185.45990	1.3
187.11272	1.7
187.14803	2.3
189.11198	7.5
189.12715	2.3
191.14336	1.5
193.12300	1.3
195.11809	2.2
195.13780	6.0
197.13206	3.8
199.14790	1.9
201.12675	2.0
205.12146	1.7
205.15858	1.3
209.13275	1.3
211.14781	1.6
213.14778	1.4
217.15819	2.3
227.12755	15.9
227.17863	1.2
229.14285	17.9
229.19508	3.4
233.15421	1.3
235.16960	1.4
239.17931	4.3
245.13724	1.2
247.20547	5.0
251.16254	1.5
255.15761	5.7
257.18979	11.7
259.20544	2.7
267.15875	2.6
269.17447	35.1
273.18613	1.7
275.20035	56.5
291.19464	2.1
293.21014	5.1
309.20547	1.8
331.22656	4.6
349.17258	1.6
349.23721	41.0
367.24689	11.0
409.25943	5.1
413.21857	1.7
423.27362	21.3
433.30814	1.3
439.26733	1.7
445.29376	3.4
447.31058	1.6
449.29031	10.8
451.31836	1.6
463.30463	28.6
485.32635	1.6
503.33554	20.8
519.33234	3.0
521.34576	3.1
525.35400	4.7
529.35138	4.8
543.36774	40.3
547.36096	3.4
561.37677	12.4
583.39581	1.7
607.34509	3.1
623.42957	11.6
641.44080	7.4
705.41156	1.7
874.48047	2.7
875.46527	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	874.5506
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	2.7
64.73092	1.3
65.03931	6.1
67.05500	96.2
69.03423	8.2
69.07063	39.1
69.30638	14.1
70.06577	4.8
71.04988	7.8
73.02908	1.5
79.05486	65.0
81.03409	11.1
81.07050	100.0
83.04978	12.0
83.08607	22.4
85.02895	7.5
85.06546	6.2
86.09696	3.8
89.06046	1.8
91.05473	59.6
93.07040	59.1
95.04961	16.9
95.08596	44.3
97.02879	4.4
97.06515	17.7
97.10154	15.4
99.04501	1.7
99.08070	3.6
103.05464	2.7
105.07020	52.8
107.04948	14.6
107.08585	53.8
109.02886	2.7
109.06533	9.6
109.10148	41.4
111.04345	1.4
111.08054	7.3
113.05982	2.2
113.09662	1.8
115.05483	2.3
117.07011	20.2
119.08568	34.6
121.06465	6.6
121.10139	24.4
123.08064	4.6
123.11698	9.4
125.09612	14.4
127.03900	2.2
127.07587	1.7
128.06258	2.9
129.05499	1.7
129.06992	9.9
130.07738	2.0
131.07582	1.6
131.08565	29.7
133.06479	2.9
133.10118	28.6
133.88269	1.5
135.08057	9.3
135.11687	21.2
137.09608	6.0
139.11192	1.6
141.06976	2.7
141.10254	1.4
142.07709	1.4
143.08551	8.1
145.06462	1.5
145.10117	25.6
147.08090	2.5
147.11679	20.2
149.09616	17.3
149.13231	15.7
151.11121	2.4
153.09169	2.2
155.08537	5.6
155.10640	1.3
157.10092	8.5
159.08086	2.0
159.11671	18.0
161.09579	3.1
161.13298	7.0
163.11172	9.7
165.09096	1.4
165.12772	2.5
167.08432	1.3
169.10109	5.9
171.11676	7.3
173.04422	3.4
173.11731	7.5
173.13258	7.0
175.11162	4.0
177.12718	7.0
179.14323	5.5
181.12259	1.8
183.11676	5.8
184.07269	3.0
185.13229	4.5
187.11154	2.6
187.14816	1.9
189.11214	8.5
189.12704	2.9
191.14227	1.9
195.12091	1.4
195.13768	8.2
197.13252	4.5
199.14777	1.8
201.12727	2.9
201.16405	2.5
207.11794	1.7
211.14803	2.4
227.12747	24.9
229.14330	26.1
229.19518	4.9
239.17912	4.8
243.15927	1.8
245.13885	1.8
247.20584	2.4
255.15782	11.8
257.18961	16.1
259.20667	2.1
267.09045	1.7
267.15802	3.8
269.17432	45.6
273.18530	2.1
275.20050	77.8
285.10065	2.8
291.19550	3.3
293.21170	9.0
309.20505	2.6
325.20059	1.5
331.22711	4.3
349.23712	67.2
367.24771	15.0
397.21805	1.6
409.25781	5.0
413.21786	3.7
419.58313	1.5
423.27390	21.1
431.27551	2.0
433.31085	2.5
439.26776	3.0
445.29593	3.5
449.28943	15.9
451.31873	2.8
463.30545	35.6
485.32382	2.1
494.24799	1.5
503.33746	26.9
513.36133	1.7
519.33203	2.8
521.34357	4.8
525.35931	6.5
527.36969	1.9
529.35303	8.6
543.28430	3.1
543.36768	56.4
547.36237	3.5
561.37872	19.3
567.31201	2.6
583.39758	2.4
607.34509	4.4
623.43036	20.2
641.44104	13.4
659.44714	2.9
687.40881	3.8
705.42749	2.9
875.47742	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	873.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	0.9
67.40924	0.4
69.72478	1.3
69.72906	1.3
70.06578	1.2
72.86835	0.4
77.03896	0.6
79.05498	2.8
81.03419	1.3
84.04511	0.5
86.09694	1.4
91.05495	4.2
93.07023	0.9
95.03639	0.4
95.04957	3.5
98.20713	0.5
103.05457	2.5
105.04505	1.2
105.07026	3.1
107.04956	100.0
108.05299	0.9
111.04443	0.6
115.05474	4.7
116.06202	0.4
117.07021	5.1
119.04920	2.3
121.02863	10.1
121.06509	2.9
123.04449	0.8
124.99977	0.6
127.05467	0.5
128.06242	3.2
129.06996	5.5
131.04932	9.6
131.08562	2.8
133.06496	7.3
141.07002	3.7
143.08594	0.6
144.05722	1.6
145.06488	18.4
147.08040	3.8
149.02292	0.4
149.06004	0.8
155.06055	1.5
155.08519	0.8
157.06499	7.5
159.08072	6.1
165.06999	1.5
167.08586	1.0
169.06491	8.3
169.07776	0.8
170.06931	0.4
171.08037	3.6
173.05971	3.5
175.07545	5.9
178.07841	0.6
179.08635	0.5
181.06519	1.4
183.08034	2.1
184.07405	1.4
185.06036	0.8
185.09511	0.8
187.07578	1.2
190.07858	0.5
194.07257	0.5
195.08058	1.4
197.05966	0.5
199.07556	0.7
202.07755	0.5
203.08646	0.6
205.06798	0.4
205.08641	1.3
207.08096	1.6
209.06026	0.7
209.09682	0.7
211.07509	2.0
213.09073	0.8
217.00729	0.4
218.07243	0.6
219.08058	1.6
221.09657	0.7
223.07549	1.2
225.09106	0.9
231.08133	1.2
233.09508	1.0
235.07587	1.2
237.09074	0.9
245.09732	0.7
247.07588	1.6
248.08281	0.7
249.09114	1.3
250.09831	0.5
251.06915	0.4
251.10605	0.6
256.08716	0.5
257.09647	0.6
259.07718	0.7
261.09042	2.1
263.10666	1.0
268.08850	0.5
269.09595	0.8
271.07574	0.6
271.11060	0.4
272.08347	0.6
273.09241	0.9
275.10547	0.7
281.09750	0.6
282.10397	0.5
285.09058	2.0
287.10760	0.9
293.09686	0.5
297.09076	0.9
298.10031	0.6
299.10773	0.8
301.08804	0.9
301.12305	0.5
305.09583	0.7
309.09192	0.7
310.09811	0.6
311.10660	1.0
313.08609	0.9
313.12415	0.6
315.10132	0.8
321.09171	1.0
322.09949	0.9
323.10553	0.9
325.12332	1.0
327.10397	0.7
334.09814	0.8
335.10721	1.8
336.11636	0.8
337.12308	0.8
339.10367	1.1
340.11166	0.5
341.11752	1.0
347.10684	0.8
351.09949	1.1
353.11737	1.4
359.10501	0.5
363.10056	0.6
365.11658	1.1
377.11490	0.9
379.13428	0.6
385.13535	0.4
391.12659	0.6
403.13358	0.6
422.13275	0.6
423.13992	0.5
425.11359	0.5
427.13654	0.7
429.15073	0.6
433.13501	0.6
435.14584	0.5
439.13245	0.9
440.14008	0.6
445.14227	0.5
447.14114	0.7
453.14761	1.1
455.16946	0.5
457.14716	0.7
459.16171	1.0
465.15668	0.7
469.14539	0.6
471.16125	1.1
483.15851	0.7
491.15854	0.6
493.17828	0.5
509.17181	0.7
513.16956	0.9
521.17352	0.5
601.20123	0.6
603.21655	0.8
605.23047	0.9
609.22449	0.7
611.22125	0.6
613.20068	0.5
615.21832	1.0
617.23163	1.0
619.20874	1.1
621.22589	0.8
625.20380	0.6
629.21442	0.7
631.20966	1.1
633.22516	1.0
637.21991	0.5
641.23328	0.7
649.22070	1.0
653.22791	1.0
659.23767	0.5
663.23651	0.6
667.23370	0.8
671.24182	1.1
683.23920	1.1
689.24335	0.5
701.24658	1.2
713.24817	0.7
747.27002	1.1
759.27405	1.2
765.28290	1.1
771.26898	0.6
777.28796	2.6
783.29132	0.6
789.28595	1.4
795.29919	3.0
807.29492	3.8
813.30402	1.2
825.30524	4.8
837.30835	2.4
843.31647	3.0
855.31805	4.9
873.32843	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	872.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	0.4
69.03416	0.5
70.06585	1.5
70.81976	0.5
71.04996	0.8
72.08147	0.4
72.35082	0.2
73.02912	2.6
73.06554	3.2
75.28194	0.2
79.05488	0.3
81.03405	0.5
81.07040	0.4
85.02919	0.5
86.09711	0.6
87.04462	24.7
89.06024	100.0
90.06329	0.2
91.05475	0.2
91.07592	0.6
95.04957	0.5
95.06087	0.2
99.04461	0.2
107.04961	0.7
107.07065	4.0
109.10150	0.2
110.07162	0.4
113.06003	1.4
115.07592	0.5
117.09115	2.5
120.08112	0.3
130.08678	1.1
130.31584	0.2
131.07036	6.4
133.08592	60.5
134.08984	0.3
135.10136	0.3
149.11465	0.3
151.09616	0.6
157.08583	0.5
159.10164	0.9
161.11696	0.6
169.09654	0.2
175.09644	4.4
177.11212	20.8
178.11543	0.3
179.12839	0.3
193.10744	0.6
195.12329	0.3
196.08084	0.3
201.11200	0.3
203.12842	0.3
204.06564	0.3
219.12231	1.5
221.13841	3.3
223.15390	0.4
239.14880	0.7
265.16434	0.7
272.13019	0.3
276.27051	0.2
283.17563	0.8
285.07925	0.4
309.19022	0.8
311.20453	0.2
327.20053	0.4
336.88007	0.2
353.21558	0.5
371.22589	0.3
397.24268	0.3
399.39267	0.2
423.84485	0.2
462.53125	0.2
493.11118	0.5
521.01837	0.2
573.34729	0.2
591.34082	0.2
665.36224	0.2
855.50470	0.8
872.52948	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06090	24.7
66.83348	0.8
67.05504	3.5
69.07073	3.7
70.06586	1.6
71.08633	12.7
71.58891	1.3
77.45345	0.8
79.06998	0.8
81.07055	3.2
82.81554	0.7
83.08610	1.9
84.92467	0.7
85.10179	6.6
86.09705	1.4
89.06062	1.6
93.07144	0.7
95.08618	6.2
97.10155	1.4
98.98495	4.1
99.32309	0.8
103.45856	0.7
109.10155	4.6
111.50631	0.8
123.11685	1.0
124.01663	1.2
133.93936	0.8
142.02628	1.1
155.01044	3.6
157.77400	0.9
164.53937	0.8
184.07367	2.8
198.05270	2.0
216.06331	2.3
225.22139	1.7
268.26337	9.1
299.25815	100.0
300.26221	1.2
379.22406	7.9
422.26669	24.5
440.21683	1.5
440.27765	24.7
872.48914	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5368
Annotation	Unknow
Peak:m/z	Relative Intensity
60.72992	1.4
61.02903	1.7
65.03938	5.8
67.05502	89.7
67.20855	1.5
69.03430	13.7
69.07066	48.3
70.06584	4.6
71.04976	6.7
71.59689	2.2
72.08127	2.1
79.05489	59.4
81.03419	14.4
81.07055	83.5
83.04982	12.3
83.08617	23.0
85.02884	4.3
85.06524	4.6
86.09679	4.3
87.04462	1.8
89.06032	2.1
91.05478	47.0
93.07040	58.9
94.35377	1.4
95.04965	21.9
95.08608	34.9
97.02894	11.6
97.06526	19.3
97.10168	23.5
97.38367	1.5
99.04472	1.9
99.08104	3.2
100.40083	1.3
103.05474	2.4
104.10701	1.6
105.07030	45.5
107.04954	19.6
107.07858	2.4
107.08593	44.5
109.02877	2.6
109.06517	14.1
109.09457	2.2
109.10151	36.4
111.04455	2.8
111.08076	6.0
113.05962	2.1
115.05433	3.4
115.07529	1.6
115.37262	1.4
117.07015	19.0
119.04980	2.4
119.08574	31.3
121.06480	9.1
121.10143	16.7
123.04432	2.8
123.08070	10.5
123.11697	5.1
124.49210	1.6
125.09625	19.2
127.91004	1.5
128.06160	2.6
129.06926	7.7
130.07764	1.6
131.08560	22.0
133.06493	2.8
133.08588	2.0
133.10120	24.4
135.08009	7.9
135.11671	9.2
137.09561	5.5
141.06972	2.7
142.07747	3.5
143.08516	8.9
145.06474	2.6
145.10115	19.6
147.08025	9.0
147.11688	14.8
149.09630	9.2
149.13240	9.9
151.11198	3.1
153.09123	3.3
155.08572	4.2
157.10138	8.5
159.07983	2.2
159.11705	11.2
161.09579	6.2
161.13275	3.7
163.11125	7.3
165.09113	4.3
165.12715	2.0
169.10095	3.8
171.10265	1.6
171.11681	6.4
172.16589	1.4
173.09601	2.1
173.11737	5.5
173.13277	4.5
175.11172	5.1
177.12717	5.8
179.14246	1.6
183.11726	3.1
185.13254	3.6
187.11104	1.7
187.14807	1.6
189.11223	9.2
189.12735	2.5
193.12210	2.0
195.13785	6.2
197.13268	2.0
201.79626	1.5
209.13354	2.3
211.13109	2.2
211.14900	1.8
213.16479	2.1
223.13232	17.0
227.12788	18.2
227.17737	1.9
229.14362	14.1
229.19325	2.3
233.15569	1.9
239.17999	2.4
245.18993	2.4
249.14706	2.9
257.18930	7.1
267.15942	3.9
269.17465	18.0
273.18451	22.4
275.20059	32.4
291.19540	100.0
292.19995	2.6
293.21155	1.8
309.20593	2.9
309.35828	1.5
331.22623	2.0
347.22113	5.1
349.23730	21.5
365.23209	54.7
367.24808	7.5
373.18887	1.7
395.64316	1.6
431.82556	1.7
439.26816	3.0
501.32559	1.5
519.33191	39.9
541.35144	5.1
559.36261	54.4
621.40881	2.0
639.42487	33.8
657.43549	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	870.4868
Annotation	Unknow
Peak:m/z	Relative Intensity
64.69517	0.8
65.03951	1.3
67.05496	17.3
68.05030	1.8
69.03420	14.6
69.07063	7.6
70.06594	3.8
71.04973	2.1
71.08630	11.0
72.04517	1.0
79.05485	14.8
80.05028	2.5
81.03410	21.6
81.07050	21.3
82.06574	2.2
83.04972	4.1
83.08614	10.6
84.04502	7.6
84.08142	3.2
85.02904	2.7
85.10175	6.5
86.06061	73.9
87.04463	43.3
89.06024	1.1
91.05470	11.0
93.07036	12.8
94.06566	2.5
95.04966	7.6
95.08598	19.4
95.09150	1.5
96.08135	2.8
97.02886	1.6
97.06490	6.2
97.10162	3.8
98.06049	28.6
99.04445	1.3
102.05541	1.3
104.07096	93.0
105.07016	7.6
107.04983	3.0
107.08591	4.6
108.08115	1.5
109.02879	1.4
109.06523	1.5
109.10146	7.1
110.06075	1.0
110.09692	1.8
111.04484	1.2
111.08073	2.3
112.07602	16.4
114.05518	0.9
117.06989	1.1
119.08558	5.6
121.06517	1.0
121.10132	6.6
122.06073	1.1
123.04446	1.2
123.08100	1.5
123.11743	2.5
124.07587	4.2
125.09702	1.2
126.05524	3.7
126.09166	2.0
127.03915	1.0
129.07037	3.1
131.08540	5.5
133.06503	1.4
133.10133	4.1
135.08061	1.0
135.11665	1.8
136.07613	1.0
138.09122	1.8
138.12814	2.9
139.11201	1.4
140.07054	3.8
142.07706	1.0
142.08659	3.2
145.10159	1.3
147.11682	4.6
148.07587	3.2
149.09607	31.6
149.13293	2.0
150.09087	1.7
154.08649	1.9
157.10184	3.4
158.08096	8.2
159.11723	1.5
163.11232	0.9
165.12805	2.6
166.08624	1.1
166.12297	2.4
175.11194	5.3
177.12854	2.6
182.15456	2.0
184.13380	1.5
193.12228	17.1
193.13820	1.1
195.13828	2.0
206.15381	1.8
210.14886	8.3
211.13240	4.4
224.16483	1.7
234.14972	1.4
235.13371	2.1
236.16647	1.0
239.23779	3.3
249.14877	1.4
250.18100	3.8
252.15915	9.5
257.24829	1.4
260.16446	6.4
267.15897	39.1
268.16333	1.1
268.19064	2.6
270.17056	3.3
277.14392	1.5
278.17523	13.2
296.18533	13.3
301.14279	1.1
302.19736	0.9
309.17017	1.1
313.27335	43.6
314.19547	8.6
314.27771	0.9
326.19559	1.5
344.20850	2.6
352.21249	1.5
362.21878	2.0
370.22232	5.9
383.11588	1.4
388.23257	4.7
410.52005	0.9
493.17276	6.4
505.38834	27.0
530.60919	0.9
539.29169	5.3
547.40076	1.5
564.42499	0.9
582.43408	5.1
596.23688	1.9
600.44543	11.9
603.53186	1.0
608.44995	3.9
614.24774	2.0
626.46204	91.6
627.46442	4.4
644.47180	6.7
731.39905	1.4
808.44702	0.9
852.47736	6.3
870.44696	100.0
871.44904	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	870.4868
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	1.1
67.05161	1.1
67.05495	12.1
68.05016	2.1
68.42716	0.6
69.03063	1.0
69.03419	12.2
69.07059	7.3
70.06583	11.5
71.04974	2.9
71.08619	10.9
71.94572	0.5
72.04487	0.8
73.02911	1.1
79.05482	11.7
79.05901	1.1
80.05005	2.5
81.03406	12.8
81.07044	21.1
82.06557	1.8
83.04973	6.4
83.08614	9.0
84.04493	7.5
84.08121	2.2
85.02881	1.9
85.06521	1.1
85.10167	5.8
86.06055	74.5
86.09668	0.7
87.04456	29.9
89.06034	0.9
91.05466	10.4
93.07032	14.0
94.06564	2.4
95.04942	6.5
95.08039	1.1
95.08597	15.6
96.04502	1.1
96.08119	2.6
97.02871	0.7
97.06508	4.4
97.10168	4.2
98.06042	71.5
102.05526	0.9
103.07547	0.6
104.07088	48.0
104.10708	3.4
105.07011	7.8
107.04945	2.3
107.08568	3.7
108.08117	0.6
109.02876	1.4
109.06491	0.9
109.10155	5.6
110.09660	1.1
111.04435	1.1
111.08080	1.9
112.07596	11.9
117.06998	1.6
119.08565	4.6
121.06474	1.0
121.10128	11.1
121.19659	0.6
122.06052	1.1
122.09676	0.7
123.08045	1.2
123.11700	2.4
124.07565	5.0
125.09614	0.7
126.05500	13.2
126.06373	1.0
126.09111	2.3
128.07095	1.1
129.07005	2.2
131.08549	7.1
133.10091	3.1
135.11679	1.9
136.07584	1.3
137.13266	1.0
138.05515	1.1
138.09116	1.7
138.12782	2.3
139.11165	3.1
140.07043	4.1
141.07050	0.6
142.08649	5.5
143.08496	0.7
147.08006	1.5
147.11687	4.2
148.07538	2.0
149.09598	35.1
149.13275	0.8
154.08611	6.4
157.10095	2.3
158.08110	6.1
159.11694	1.5
163.11192	0.6
164.95135	0.6
165.12769	1.9
166.08675	0.9
166.12257	4.3
167.10648	2.3
175.11140	3.1
177.12668	1.9
182.15375	2.5
184.13283	3.4
192.13779	1.0
193.12209	9.1
195.13828	0.8
206.15335	5.0
210.14835	6.3
211.13261	6.0
212.16396	1.0
213.14748	0.6
224.16417	7.7
228.15964	1.0
232.16986	0.9
234.14857	5.2
235.13210	1.3
239.23766	1.5
240.15895	0.7
250.17973	3.0
252.15919	26.3
257.24710	1.2
258.16873	0.6
260.16406	4.9
264.74619	0.6
267.15881	20.3
268.18997	3.3
270.16937	9.2
277.14404	0.9
278.17477	10.4
285.16922	0.9
288.18036	2.0
291.19540	1.3
296.18521	9.4
300.99307	0.5
313.27322	29.2
314.19592	12.7
314.22845	0.7
314.27765	0.7
326.19623	1.9
332.20605	1.6
344.20636	4.4
352.20853	0.8
362.21649	4.8
370.22180	4.2
388.23273	5.6
406.24402	1.9
493.17349	4.0
505.38849	17.5
539.28711	3.7
582.43481	4.5
596.23315	2.0
600.44629	44.1
601.45038	0.9
608.45398	3.0
614.24445	1.5
626.46161	100.0
627.46283	3.6
644.47253	25.5
645.47296	1.4
692.67578	0.7
826.45898	1.9
852.47504	3.2
870.53113	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.493
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	0.8
67.05505	33.1
69.03413	0.6
69.07069	18.1
69.09593	0.4
71.04970	1.1
71.08606	1.4
71.58474	0.5
71.62395	0.4
77.43279	0.4
79.05493	8.7
81.03400	0.5
81.07058	36.3
83.04964	1.2
83.08154	0.5
83.08624	9.1
85.06533	1.1
91.05471	6.0
93.07043	10.3
95.04951	1.3
95.08606	26.1
96.08957	0.4
97.06552	2.6
97.10168	4.7
98.98466	25.4
99.08090	0.8
105.07016	4.0
107.08591	4.8
109.06563	0.5
109.10163	10.4
109.18946	0.4
111.08085	1.4
111.11709	0.9
116.99503	1.2
119.08573	4.6
121.10146	4.9
123.08062	0.7
123.11716	4.5
123.85741	0.4
133.10114	4.1
135.11681	3.3
137.09616	0.8
137.13214	2.0
147.11685	2.6
147.41133	0.4
149.13252	1.6
151.11232	0.8
151.14830	1.2
155.01047	13.1
161.13206	2.1
163.14848	1.6
165.16396	0.9
173.02139	4.1
175.14810	1.4
179.17909	0.5
189.16301	0.6
212.27556	0.4
245.22656	4.7
246.39838	0.4
263.23706	12.0
337.27365	100.0
338.27701	2.9
374.19574	0.5
417.24051	0.7
429.69351	0.5
433.55994	0.6
434.57816	0.5
459.97693	0.5
537.03278	0.5
576.60474	0.5
869.43707	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
66.52314	0.4
69.81210	2.9
70.06591	8.6
72.08101	2.1
74.06037	0.6
83.06076	0.6
84.04453	1.6
84.08157	2.6
84.96028	4.7
85.01378	0.4
86.06010	0.5
86.09702	2.8
91.04978	0.5
91.05473	5.7
92.05796	0.5
97.96760	1.5
98.97578	16.6
102.97054	1.2
107.04955	0.6
110.07139	1.3
110.97552	1.7
112.99092	0.8
115.08623	0.5
115.97832	2.4
116.98616	19.9
120.08081	1.7
120.98031	0.5
124.99142	0.6
128.98604	6.6
129.10202	1.3
131.00191	2.5
133.98834	1.4
134.98633	0.7
134.99641	14.5
136.07549	0.6
140.00111	0.7
140.98584	0.7
143.00151	2.8
144.98044	0.9
146.99649	9.9
149.01219	4.4
151.99884	0.6
152.98549	1.5
153.00688	3.1
155.08115	0.4
158.01180	1.3
158.99673	5.6
160.99973	0.7
161.01208	6.8
162.99176	2.7
165.00650	2.1
165.02069	1.0
167.02290	0.5
170.99637	4.6
173.01173	2.7
177.00729	14.1
179.02177	1.5
179.03680	0.6
183.03235	2.2
184.02792	0.7
184.07294	1.3
189.00722	5.4
189.02240	0.6
191.02261	2.9
195.01747	3.0
195.03282	0.6
201.00658	2.8
203.02229	0.6
207.01509	0.9
207.03299	13.0
219.01729	11.1
219.03656	1.0
225.04318	13.2
230.04871	0.6
235.02361	0.5
237.02803	36.0
238.03261	0.6
242.03282	0.8
243.05324	0.5
248.05948	0.9
249.04343	2.0
253.03972	0.6
255.03865	5.0
260.04446	1.7
261.04300	1.4
267.05371	1.5
279.03842	0.7
297.61548	0.5
309.06409	16.6
327.07492	100.0
328.07867	1.1
350.09030	5.7
351.03128	1.0
351.07474	22.2
369.08557	79.6
370.08755	1.2
392.10110	4.4
393.08530	33.1
409.11722	1.0
411.09628	2.6
453.10684	25.4
471.11780	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.2
67.05501	36.5
69.06721	0.6
69.07066	8.2
69.45249	3.3
71.04978	1.1
71.08610	0.4
75.04490	0.4
79.05489	20.8
81.07052	34.2
82.07394	0.4
83.04991	0.5
83.08610	4.2
85.06522	0.6
91.05475	11.3
93.07037	25.3
95.04971	2.8
95.08604	28.2
97.06525	1.5
97.10158	1.4
98.98459	28.8
99.08099	0.9
105.06310	0.4
105.07025	8.8
107.08590	14.4
109.06468	1.0
109.10149	10.9
111.08120	0.6
116.99445	1.9
117.07018	2.5
119.07790	0.6
119.08574	6.3
121.10137	12.3
123.08041	0.6
123.11718	3.9
125.09660	0.4
129.05481	0.4
131.08557	5.6
133.10118	4.5
135.11671	8.7
137.09644	0.7
137.13251	2.1
139.11201	0.4
141.61615	0.4
145.10144	4.9
147.11688	3.5
149.09560	0.5
149.13251	4.7
151.14859	0.5
153.12703	0.4
155.01041	7.1
159.11641	3.1
161.13231	3.1
163.14833	3.6
165.12932	0.4
173.02110	5.1
173.13272	3.7
175.14807	1.1
177.12688	0.6
177.16399	1.0
179.14247	0.5
184.50255	0.4
187.14758	2.0
191.14183	0.5
201.16290	0.6
219.17534	0.5
233.22670	1.1
243.21053	6.8
261.22131	19.7
262.22464	0.6
278.86685	0.4
279.23190	0.4
308.51376	0.4
317.24756	1.9
335.25778	100.0
336.26105	2.9
415.22205	0.7
471.76099	0.4
595.47504	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
60.44861	0.4
61.05210	0.4
65.03928	1.6
67.05508	37.1
69.03419	0.5
69.06732	0.5
69.07074	7.5
71.01735	1.0
71.04980	1.0
71.08634	0.6
75.04467	0.5
79.05499	21.8
81.03427	0.6
81.07060	38.8
83.04964	1.1
83.08630	3.4
85.06544	1.1
85.43318	0.4
91.05486	10.9
93.07049	26.1
95.04964	3.1
95.08611	28.0
97.06525	1.4
97.10172	1.3
98.98470	31.2
99.08092	0.7
105.04545	0.5
105.07037	7.2
107.08602	14.6
109.06516	0.8
109.09465	0.8
109.10166	12.2
111.08068	0.8
116.99507	1.4
117.07025	2.9
119.08591	6.4
121.10150	12.3
123.08064	0.8
123.11719	3.5
125.09605	0.7
131.08574	6.0
133.10153	5.7
135.11699	8.1
137.13243	1.3
140.01047	0.6
145.10118	4.9
147.11661	3.7
149.09602	0.8
149.13272	6.2
151.14857	0.6
155.01041	7.2
159.11714	3.1
161.13252	2.5
163.11163	0.5
163.14851	3.4
165.12706	0.5
173.02135	4.1
173.13257	4.2
175.14830	1.5
177.16374	1.7
179.14316	0.8
187.14818	1.6
201.16379	0.4
219.17528	0.4
233.22694	1.2
243.21104	6.4
244.21471	0.5
244.48785	0.4
261.22147	21.8
262.22397	1.0
269.68719	0.5
317.24783	1.7
335.25812	100.0
336.26105	4.2
415.22495	0.8
450.08502	0.5
595.46857	0.7
641.50024	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.5246
Annotation	Unknow
Peak:m/z	Relative Intensity
62.64870	0.1
73.02888	0.3
73.06562	1.0
77.03929	0.4
77.89162	0.1
79.05482	4.9
87.03909	0.2
87.04458	6.3
89.06019	34.4
90.06348	0.2
91.05463	2.4
91.07601	0.2
93.07034	0.6
95.04965	2.5
98.20790	0.4
103.04782	0.3
103.05456	4.4
105.07017	100.0
106.07346	1.3
107.07069	1.3
113.06000	0.2
115.05452	0.3
117.07017	0.5
117.09109	0.7
119.04942	0.4
119.08543	0.8
121.06484	4.5
129.06975	0.9
130.08595	0.8
131.07056	2.2
131.08549	5.4
132.08849	0.2
133.08586	25.5
134.08881	0.2
135.10150	0.2
145.06465	0.3
147.08032	2.4
149.09596	0.9
161.11668	0.2
165.06960	0.4
165.09085	0.9
166.07750	0.3
169.10091	0.2
173.09575	0.4
175.09653	1.6
175.11012	0.3
177.11198	10.2
181.10123	0.6
191.10641	0.2
192.09111	0.2
193.10454	0.2
193.12227	0.2
197.09654	0.2
207.11868	0.2
209.11638	0.4
209.13304	0.3
211.13272	0.2
213.91167	0.1
216.43398	0.2
219.12285	0.3
221.13809	2.0
223.11110	1.3
225.12714	7.3
226.12975	0.3
227.12802	0.3
229.52238	0.2
235.13145	0.2
239.14754	0.5
249.12677	0.3
251.14288	9.4
252.14684	0.2
253.15898	2.2
255.15817	0.4
265.16437	0.4
267.13712	0.4
269.15350	3.2
270.15848	0.1
271.15244	0.3
277.15781	0.2
283.17502	0.7
295.16949	0.7
299.18472	0.3
309.18976	0.5
311.16412	0.5
313.17920	1.3
315.17871	0.3
327.17258	1.7
329.18942	7.9
330.19336	0.4
339.19531	0.2
353.18829	0.4
355.20325	0.4
357.20422	0.4
371.19553	0.2
373.21585	4.2
374.21741	0.2
375.21631	0.2
401.22961	0.3
403.23071	0.2
417.24106	0.3
419.24237	0.3
461.26245	0.2
463.26706	0.3
477.27859	2.9
478.28397	0.2
507.29181	0.3
535.30914	0.3
551.31885	0.3
595.35107	0.3
639.37097	1.8
655.37976	0.3
723.19861	0.2
743.43793	1.1
864.51398	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.5246
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	0.1
69.03391	0.1
73.02895	0.3
73.06547	0.9
77.03931	0.4
79.05482	5.4
81.03420	0.1
87.04459	5.9
89.06020	32.1
90.06359	0.2
91.05467	2.7
91.07584	0.3
93.07031	0.5
95.04961	2.4
103.05457	4.8
105.07018	100.0
106.07357	1.3
107.04952	0.2
107.07064	1.3
113.06012	0.1
115.05437	0.2
116.06216	0.2
117.06993	0.3
117.09103	0.8
119.04926	0.3
119.08562	0.8
121.06494	3.9
129.07002	1.1
130.08626	0.7
131.07056	1.9
131.08549	5.1
132.05600	0.1
133.08586	23.9
133.60425	0.1
135.08080	0.2
135.10217	0.1
142.07826	0.1
145.06474	0.3
147.08038	2.4
149.09592	1.0
155.08389	0.1
161.11797	0.1
165.06978	0.3
165.09077	0.6
166.07791	0.3
167.08533	0.1
169.10078	0.2
172.76958	0.1
173.09602	0.5
175.09651	1.3
175.11053	0.2
177.11205	9.1
179.08504	0.3
181.10072	0.4
183.10136	0.1
191.10654	0.3
193.10437	0.2
193.12206	0.2
195.12265	0.2
197.09665	0.1
207.11713	0.3
209.11649	0.3
209.13301	0.4
211.13277	0.2
219.12233	0.4
221.09613	0.2
221.13774	1.7
222.10164	0.1
223.11142	1.0
223.15115	0.2
225.12717	6.3
226.12950	0.2
227.12790	0.3
235.13080	0.2
237.12834	0.1
239.14822	0.5
249.12714	0.4
251.14285	9.6
252.14546	0.3
253.15929	2.2
255.15987	0.3
265.16388	0.3
267.13681	0.5
267.17862	0.1
269.15335	2.3
271.15292	0.3
277.15985	0.2
283.17496	0.6
295.16879	0.7
297.18378	0.2
299.18152	0.2
309.19083	0.2
310.20203	0.1
311.16248	0.6
313.17990	1.5
315.17966	0.2
327.17282	1.8
327.20337	0.2
329.18954	7.7
330.19348	0.3
353.18753	0.4
355.20166	0.3
357.20438	0.5
359.20532	0.2
371.19827	0.4
373.21582	4.2
374.21866	0.2
375.21643	0.1
401.23117	0.4
415.22406	0.2
417.24237	0.2
419.24094	0.4
433.24973	0.1
445.25446	0.2
463.26544	0.3
477.27875	2.5
507.29620	0.3
535.30768	0.5
551.32007	0.2
595.34198	0.4
639.37305	1.9
743.43188	1.0
847.49158	0.2
864.51306	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5118
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	3.8
65.03948	0.5
66.51430	0.3
67.05502	4.3
69.03423	2.2
69.07065	2.5
70.06574	0.3
71.04987	0.6
71.59212	0.3
73.02911	2.6
79.05489	4.0
80.05852	0.3
81.03422	1.4
81.07051	5.2
81.07514	0.4
83.04979	0.7
83.08635	0.9
83.38296	0.2
85.02897	4.0
87.04466	0.4
87.65742	0.3
91.03951	2.4
91.05470	4.8
93.07034	4.8
95.04967	1.3
95.08599	2.0
97.02880	3.5
97.06510	0.5
97.10160	0.6
99.04454	0.7
101.02377	1.3
103.03950	0.4
103.05482	0.4
105.07032	2.5
107.04959	0.7
107.08593	2.4
109.02902	0.8
109.06493	0.6
109.10144	1.6
111.08096	0.4
113.81682	0.3
115.03988	0.3
117.07063	0.9
119.08572	2.3
121.06506	2.7
121.10160	1.5
122.06815	0.6
125.09661	0.7
127.03919	1.1
129.05516	0.5
129.06961	0.4
131.08592	1.5
133.10114	2.0
135.11731	0.9
139.16466	0.2
143.08556	0.3
145.04961	0.3
145.10106	0.6
147.11716	1.0
149.13298	1.0
154.90215	0.3
157.09970	0.3
159.11685	0.5
161.13290	0.3
170.67709	0.3
171.11757	0.6
173.03018	0.2
173.11812	0.3
184.07401	0.5
185.04247	0.6
185.13318	0.3
229.14462	0.3
243.08418	2.9
259.20563	0.5
294.63467	0.3
301.08841	1.2
313.09158	0.3
315.10370	0.4
351.21448	2.9
373.23935	0.3
391.24329	0.3
407.24170	0.6
413.17969	0.3
449.24960	0.3
465.21240	0.4
467.65784	0.3
535.28821	6.1
536.29224	0.3
541.22461	0.4
569.29218	6.0
618.33936	0.3
641.31592	0.9
657.45691	0.5
683.47266	1.4
795.59680	0.3
845.52155	1.2
863.51172	100.0
864.51459	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	863.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02890	0.4
67.05477	0.2
69.03429	1.6
69.30199	1.5
70.06599	0.9
71.01323	0.3
71.04988	11.8
72.05284	0.1
72.08105	0.2
73.02930	1.0
73.65553	0.1
75.04475	0.8
79.00484	0.1
81.03398	0.7
83.01321	0.2
83.04977	2.5
84.04452	0.1
84.08125	0.3
85.02898	17.1
86.06017	0.2
87.04414	0.5
95.04919	0.4
97.02885	1.4
97.06478	0.3
99.04446	0.7
103.05422	0.1
107.01271	0.3
107.04947	0.7
109.02827	0.5
110.07101	0.2
111.04428	1.9
117.05472	0.4
121.06409	0.2
127.03911	0.8
129.05470	4.6
129.10217	0.2
131.04913	0.2
135.04382	0.1
137.02327	3.9
137.03383	0.3
137.05940	0.2
139.03845	0.3
141.01758	0.2
145.04900	0.6
147.06500	1.3
149.02248	0.3
149.05951	0.2
153.05405	0.6
157.04962	0.3
159.06531	0.1
163.03853	0.6
163.05968	0.5
165.01799	1.6
171.04405	0.3
171.06496	0.3
173.05975	0.2
183.02930	1.3
185.06001	0.2
187.03824	0.3
189.05423	1.0
199.03877	0.5
201.07495	0.4
203.06950	0.2
205.04819	0.1
213.05473	0.7
213.07233	0.2
217.04935	1.0
227.03348	0.2
231.06496	0.2
233.15660	0.2
239.09131	0.8
241.04889	0.6
245.04456	2.5
257.10089	0.4
259.05988	0.6
269.04367	0.5
273.03928	0.3
275.11224	0.4
283.05911	0.2
287.05417	0.7
293.12604	0.2
299.05505	0.2
303.05008	0.4
309.11908	0.2
315.04953	60.9
316.05353	1.0
327.05002	0.8
328.05621	0.2
329.06540	0.2
353.06442	0.3
357.06064	1.3
381.06195	0.2
393.09650	0.1
407.07635	0.3
409.09149	100.0
410.09409	2.3
433.09143	0.2
449.10815	0.2
451.10168	1.1
475.10321	0.4
501.11746	0.2
519.12830	1.3
537.13879	0.8
539.61841	0.2
553.13232	0.2
555.14801	1.2
571.14600	1.1
837.13647	0.1
863.44623	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4966
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	4.5
63.71115	0.3
67.05501	5.9
68.56869	0.3
69.03424	2.9
69.07060	4.0
69.90576	0.2
70.06588	1.2
71.01346	0.3
71.04989	1.2
71.08604	0.4
73.02921	3.1
73.06540	0.3
79.05486	4.4
81.03424	2.1
81.07055	6.3
83.04990	1.0
83.08617	1.0
84.08136	0.4
85.02908	4.4
85.06541	0.6
86.09710	0.9
87.04465	0.7
89.06015	1.7
91.03962	2.1
91.05477	4.9
93.07042	3.9
95.04976	2.0
95.08603	2.9
97.02883	3.2
97.06560	0.8
97.10178	0.9
99.04462	0.7
101.02386	1.6
103.03961	0.5
103.05412	0.3
105.07022	5.9
107.04948	0.7
107.08583	2.5
109.02864	0.3
109.06520	0.7
109.10175	1.1
114.09141	0.4
115.03939	0.4
117.07037	1.2
119.08557	2.2
121.06522	0.5
121.10158	1.2
125.09651	0.4
127.03942	1.0
129.05461	0.3
129.07054	0.7
131.08568	1.0
131.42061	0.3
133.08633	0.9
133.10124	1.4
135.08047	0.5
135.11711	1.3
136.06221	0.6
139.47433	0.3
145.10132	0.7
147.08076	0.7
147.11653	0.6
149.09605	0.5
149.13307	0.4
157.10095	0.3
159.11752	0.4
171.11827	0.3
177.11343	0.4
183.92619	0.3
184.07347	0.5
185.04254	0.5
203.05396	0.4
224.70016	0.3
243.08371	4.1
259.07953	0.4
286.16464	0.3
301.09082	0.4
333.20325	3.3
389.23193	0.9
393.61319	0.3
439.19144	1.7
453.20847	1.4
469.20471	0.7
472.68771	0.3
551.28290	12.8
578.48761	0.4
622.52191	0.4
623.30292	0.6
699.45392	0.5
763.42505	0.4
860.65613	4.3
861.49664	100.0
862.50201	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	861.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
60.14639	0.4
65.61259	0.4
67.05498	0.4
79.05485	0.5
81.07055	0.5
93.24973	0.3
95.01122	0.4
98.20753	0.6
109.10281	0.5
148.80251	0.4
161.03003	0.4
168.01439	0.4
184.07339	0.5
185.04343	0.6
202.04335	0.4
203.05371	1.5
216.66273	0.4
245.06421	1.0
259.08105	0.5
263.06012	0.5
275.07425	1.2
301.20233	0.8
305.08502	1.6
319.21326	0.5
343.55396	0.5
347.09418	6.8
365.10538	7.1
365.14706	0.5
407.11441	2.8
421.13028	2.8
437.12790	1.9
440.19440	0.6
441.18729	0.9
441.69241	1.6
451.14407	1.2
467.13593	2.5
502.48730	0.5
509.14859	4.7
527.15942	5.6
537.30243	5.2
583.18408	2.8
643.20020	0.5
677.81989	0.4
699.35565	7.9
861.40820	100.0
862.41382	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
63.01017	0.7
70.06594	0.9
70.45061	0.7
71.59317	0.8
86.09724	3.0
89.06042	1.1
94.76974	0.6
122.83580	0.9
124.99994	1.9
162.99596	0.7
174.72610	0.7
184.07378	7.5
184.08498	0.6
203.05309	1.3
212.78757	0.9
236.27585	0.8
239.59315	0.8
264.00015	0.9
305.08447	1.0
347.09430	5.2
365.10718	2.3
407.11774	0.9
421.13385	1.5
451.14166	1.0
509.14438	3.5
537.30542	6.5
583.19025	1.3
699.35541	9.7
773.16254	0.9
861.40863	100.0
862.40680	6.6
875.72083	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08133	1.1
61.02925	13.0
65.03933	3.2
66.04725	1.4
67.05499	51.6
68.05016	4.1
69.03426	28.6
69.07064	31.9
69.95699	6.5
70.06587	28.0
71.01353	1.8
71.04989	9.5
72.04507	3.3
72.08142	7.9
73.02903	4.9
79.05488	50.9
80.05019	6.9
81.03413	31.9
81.07051	54.0
82.06573	5.7
83.04969	13.2
83.08614	11.7
84.04505	13.8
84.08141	9.4
85.02898	16.6
85.06544	2.1
86.06062	93.2
86.09703	6.9
87.04463	42.8
91.03945	5.0
91.05471	35.7
93.07038	49.1
94.06588	5.4
95.04959	19.8
95.08604	33.3
96.04472	2.2
96.08116	7.1
97.02869	12.3
97.06522	17.8
97.10158	7.8
98.06046	100.0
98.09708	1.7
98.20715	1.5
99.04480	2.7
99.08127	1.3
100.07596	1.4
102.05518	2.6
103.05486	2.6
104.07098	41.5
105.04504	1.7
105.07027	32.6
106.06524	2.6
107.04941	12.9
107.08591	24.6
108.08121	2.0
109.02886	2.0
109.06510	4.3
109.10139	13.9
110.06063	2.2
110.07195	1.3
110.09686	3.0
111.04436	1.4
111.08076	5.2
112.07596	24.9
113.09593	1.6
114.05531	2.7
115.05441	1.8
116.07084	1.7
117.07017	10.0
119.08570	20.1
120.08091	4.0
121.06465	6.1
121.10136	24.3
122.05999	2.8
122.09665	1.5
123.08065	3.6
123.11719	2.2
124.07590	9.3
125.09631	7.2
126.05508	17.1
126.09157	3.4
127.03902	3.0
128.07080	2.4
129.07028	7.9
129.10277	1.2
131.08563	20.0
133.06470	2.0
133.10127	13.7
135.08072	5.7
135.11674	8.1
136.07594	2.2
137.09544	3.2
137.13240	1.4
138.09087	1.9
138.12775	4.0
139.11183	3.4
140.07077	6.8
142.08623	8.9
143.08553	2.5
145.06468	1.9
145.10063	9.8
147.08051	2.2
147.11661	13.1
147.43147	1.1
148.07568	6.1
149.09618	61.5
149.13268	4.2
150.09106	3.1
151.11189	1.9
154.08629	6.1
155.08580	1.9
156.10172	1.9
157.10097	6.7
158.08136	13.3
159.11723	8.6
161.09834	1.2
161.13200	3.0
162.02435	1.2
163.11160	5.1
165.12776	5.9
166.08696	1.5
166.12262	5.3
167.10632	1.9
171.11717	1.4
173.13281	1.9
175.11143	6.3
177.12737	6.2
179.14290	2.0
182.15407	2.6
183.11707	1.8
183.61426	1.4
184.13254	7.0
187.11176	1.7
189.11226	3.9
193.05077	1.4
193.12242	11.9
194.15460	2.1
195.13876	3.9
196.13228	1.6
206.15395	4.5
210.14886	11.0
211.13313	3.2
212.16513	1.6
222.14841	2.4
224.16469	9.4
227.12744	7.2
228.15880	1.5
229.14423	1.9
232.16872	1.7
234.14839	7.0
236.16537	1.5
245.13826	1.5
247.20911	1.6
250.18045	5.6
252.15929	36.4
255.15956	4.3
257.19070	3.4
260.16446	8.3
266.12335	1.8
267.15915	29.0
268.19089	3.8
269.17450	7.8
270.17029	5.3
275.20081	15.3
278.17511	24.4
291.19373	1.3
293.13303	1.6
293.20999	1.7
294.16861	1.3
296.18616	9.4
314.19724	4.3
326.19617	2.2
344.20599	6.0
347.03360	1.5
349.23730	16.4
352.21262	2.6
359.63315	1.3
362.21768	3.9
367.24750	1.7
370.22098	7.9
388.23270	7.1
435.27524	1.7
437.25571	1.9
442.16333	1.5
447.27274	4.4
461.28976	14.3
479.22244	1.3
514.30084	2.6
520.32361	2.0
538.33557	3.9
541.35254	17.0
542.33270	3.8
556.34766	6.1
559.35950	5.3
564.35101	7.3
566.37024	3.5
568.34833	5.8
582.36316	16.4
600.38928	2.1
618.39960	8.9
634.42841	1.8
636.40985	72.6
637.41119	3.1
644.41437	7.4
654.42023	19.5
662.42554	70.2
663.42853	3.3
680.43591	40.1
702.37408	1.6
704.38544	1.6
726.40350	4.3
730.40259	2.7
780.44855	2.9
798.46136	17.5
816.46869	4.2
824.47803	21.2
842.48840	57.0
843.49066	2.0
860.50085	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	859.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
66.43059	0.4
67.05504	1.2
69.03419	1.0
70.06586	2.1
73.02899	1.9
73.06554	3.9
74.81091	0.4
77.03915	0.8
79.05486	6.1
81.03416	0.6
81.07037	0.6
84.08138	0.8
86.09718	0.9
87.03654	0.5
87.03928	0.6
87.04462	24.9
89.06024	80.2
90.06386	0.5
91.05473	14.9
93.07036	8.8
95.04954	5.1
98.20630	0.9
99.29097	0.4
102.04588	0.4
103.05455	12.2
105.07021	100.0
106.07342	0.8
107.04977	2.1
107.07071	3.3
113.06012	0.9
114.09137	1.0
115.05431	1.2
115.07603	0.6
116.06223	0.5
117.06976	1.9
117.09118	2.7
119.04939	4.5
119.08575	4.9
121.06493	59.7
122.06822	0.9
128.06238	0.5
129.06992	3.6
130.08623	1.7
131.04916	0.5
131.07056	6.1
131.08548	10.4
133.08591	45.7
133.10172	1.6
135.08041	1.2
135.10164	0.5
141.07028	0.5
145.06444	1.5
147.08032	11.6
149.09590	4.8
155.08464	0.5
163.07494	1.1
163.11150	0.7
165.06973	0.9
165.09084	3.0
166.07758	0.9
173.09653	0.8
175.09679	3.1
175.11070	0.7
177.11217	11.0
179.08601	0.4
189.12720	0.5
191.10654	1.7
193.12238	1.9
195.11726	0.7
197.09683	0.7
208.08595	0.4
209.11624	0.9
211.13371	0.6
221.13797	0.7
223.11156	3.1
225.12700	4.2
227.12723	0.5
235.13202	0.8
239.14775	0.7
251.14333	2.4
255.15749	0.9
268.29855	0.7
269.15356	10.2
294.31323	0.6
295.16901	1.1
295.31650	0.5
296.33145	1.0
299.18472	0.6
505.16818	0.4
533.45331	0.6
576.47931	0.7
577.48364	0.6
620.51190	0.5
858.64795	3.3
859.46826	5.0
859.64026	9.0
860.47705	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.5036
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	0.4
65.31824	0.3
67.12245	0.3
67.14054	0.3
68.29637	0.3
69.03423	0.7
69.39999	1.5
69.40425	1.5
72.08192	0.3
73.02904	1.1
73.06549	2.8
74.95810	0.3
77.03901	0.3
79.05482	5.0
87.03912	0.7
87.04460	21.2
89.06022	60.0
90.06385	0.5
91.05470	8.2
93.07039	4.0
95.04962	4.5
103.05453	6.9
105.07019	100.0
106.07365	1.4
107.04978	0.6
107.07072	2.9
113.06052	0.5
115.05437	0.4
116.06239	0.6
117.07016	1.2
117.09125	2.3
117.97193	0.3
119.04945	2.3
119.08561	2.3
121.06493	24.8
128.06210	0.4
129.06979	2.1
130.08601	1.4
131.07037	6.0
131.08540	6.7
133.08589	34.0
135.08076	0.6
141.06982	0.7
145.06465	1.2
147.08025	5.5
149.09612	2.2
151.51276	0.4
153.06940	0.6
154.07779	0.5
155.08606	0.5
159.10158	0.4
161.11687	0.5
163.07497	0.7
165.07019	2.8
165.09087	3.1
166.07750	4.3
169.10129	1.0
171.08000	0.4
173.09612	0.6
175.09657	3.2
175.11058	0.6
177.11214	8.8
179.08519	0.7
191.10612	0.9
193.12189	1.4
209.11708	0.9
211.13332	0.8
219.12210	0.5
221.13773	0.6
223.11137	1.3
225.12685	7.5
239.14626	0.8
249.12708	0.4
251.14334	1.6
255.15974	1.0
267.13797	0.8
267.17355	0.7
269.15347	11.5
295.16779	0.8
299.18454	0.7
313.17816	0.9
761.49512	0.4
859.45245	0.6
859.64490	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	0.9
65.03925	0.6
67.05489	1.3
67.79493	0.3
68.45404	0.3
69.03427	1.2
69.07063	0.7
70.06583	2.0
71.04993	0.7
71.59543	0.4
73.02906	3.0
73.06544	3.1
77.03931	0.7
79.05051	0.5
79.05482	6.8
81.03408	0.8
81.07051	1.6
84.08153	0.7
85.02895	0.6
86.09686	0.9
87.04462	24.5
89.06023	80.1
91.05473	15.9
93.07039	8.6
95.04971	5.7
95.06016	0.3
95.08589	0.6
97.02888	0.9
99.84394	0.3
103.05460	11.1
103.06129	0.7
105.04524	1.2
105.07021	100.0
105.46264	0.4
106.07365	1.1
107.04957	2.0
107.07047	3.2
107.08588	0.9
113.05979	0.7
114.09084	0.7
115.05453	0.9
115.07539	0.4
116.06226	0.7
117.06993	2.2
117.09142	2.1
119.04932	5.3
119.08564	4.6
121.06495	55.8
122.06829	0.5
128.06195	0.6
129.07002	3.5
130.08594	1.9
131.07050	6.7
131.08556	10.4
132.05783	0.4
133.08594	44.6
133.10187	1.4
134.08925	0.4
135.08046	1.2
139.07518	0.3
141.07011	0.4
143.24193	0.3
145.06480	2.1
145.10144	0.6
147.08035	11.4
149.09601	4.6
153.06995	0.4
155.08533	0.5
159.10223	0.6
161.09573	0.4
161.11746	0.4
163.07549	1.1
163.11165	0.9
165.06978	1.4
165.09111	2.9
166.07748	0.9
169.10175	0.5
173.09589	1.2
175.09647	3.3
175.11151	0.7
177.11214	10.4
179.08524	0.8
191.10649	1.4
193.10641	0.4
193.12160	1.8
195.11539	0.4
197.09645	0.5
208.08844	0.6
209.11751	1.2
219.12215	0.7
221.13829	0.8
223.11169	2.5
225.12746	4.9
235.13083	0.5
237.14842	0.4
239.14723	0.5
243.08331	0.6
249.12729	0.4
251.14349	2.2
253.14406	0.4
255.15897	1.0
268.29889	0.8
269.15329	11.2
283.17343	0.4
291.19675	0.4
295.16840	0.9
296.33008	0.7
313.18015	1.1
341.19553	0.4
347.95596	0.3
532.45135	0.6
533.46356	0.4
549.10010	0.3
549.26251	0.6
551.27753	1.0
811.12488	0.4
858.64856	2.5
859.46930	16.9
859.64417	6.2
860.47278	1.3
868.39398	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03428	0.5
72.08183	0.3
73.02899	1.0
73.06554	2.9
77.03904	0.6
79.05489	4.5
83.47839	0.2
87.04462	20.9
89.06026	59.0
90.06364	0.3
91.05477	8.2
91.07604	0.6
93.07044	4.2
95.04980	3.1
103.05460	7.1
105.07023	100.0
106.07343	1.0
107.04957	1.0
107.07062	2.5
113.05968	0.7
115.05415	0.7
117.06988	1.0
117.09142	1.9
119.04954	2.4
119.08583	2.3
121.06496	24.2
128.06183	0.5
129.06999	2.6
130.08627	1.5
131.07050	5.7
131.08548	7.2
133.08595	36.1
133.10194	1.0
134.08923	0.4
135.08066	0.5
135.10202	0.4
141.06992	0.6
143.08533	0.4
145.06471	1.0
147.08046	5.9
149.09607	2.7
153.07039	0.5
155.08522	0.8
163.07513	0.4
163.11153	0.7
165.07010	3.1
165.09090	2.6
166.07765	3.7
169.10117	1.1
173.09564	0.9
175.09668	2.8
175.11063	0.6
177.11223	8.8
178.07806	0.3
179.08534	0.8
183.15602	0.3
189.09174	0.3
191.10678	1.1
193.10533	0.5
193.12228	1.4
195.11679	0.3
196.74742	0.3
197.09595	0.3
207.10031	0.3
207.13609	0.3
209.11615	0.6
209.17081	0.3
211.13297	0.6
221.13779	0.5
223.11128	1.3
225.12723	6.5
235.13274	0.7
239.14420	0.6
249.12589	0.4
251.14409	1.3
255.15891	0.9
267.17438	0.7
269.15359	11.1
270.15640	0.4
295.16904	0.8
299.18375	0.3
311.16360	0.4
313.17813	1.2
336.11627	0.3
859.64294	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4806
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02916	3.9
65.03928	0.4
67.05502	6.0
69.03426	3.6
69.07058	4.1
69.59984	0.9
69.60406	1.4
70.06588	2.8
71.04993	0.7
73.02910	3.1
79.05489	4.1
81.03412	2.3
81.07047	6.0
83.04992	1.1
83.08607	2.0
84.08118	0.8
85.02890	3.1
86.09704	1.3
87.04472	0.7
89.06042	1.0
91.03949	2.0
91.05474	3.6
93.07033	3.8
95.04975	1.2
95.08600	2.6
97.02886	4.4
97.06538	1.1
97.10143	2.3
99.04453	0.8
101.02395	1.4
103.03992	0.4
105.07030	3.0
107.04996	0.9
107.08584	2.8
109.02863	0.7
109.06538	0.6
109.10138	1.6
111.08060	0.4
114.09174	1.2
117.07049	1.3
119.08573	1.6
121.06501	0.5
121.10147	1.0
123.08083	0.6
125.09628	0.9
127.03934	1.1
129.07062	0.4
131.08621	1.2
133.10136	1.2
135.08069	0.6
135.11703	0.8
137.09633	0.4
145.05000	0.4
145.10129	0.9
147.08034	0.4
147.11694	0.6
149.13338	0.5
151.11179	0.4
157.10301	0.5
159.11700	0.6
173.83018	0.3
184.07425	0.5
185.04250	0.8
203.05460	0.4
223.13235	1.9
243.08376	4.5
268.30069	1.1
273.18671	0.4
291.19528	2.1
294.31723	0.8
296.33002	0.8
301.09091	0.8
303.19479	0.5
305.17084	0.4
312.32794	0.5
327.11029	0.3
331.18890	1.2
333.20261	1.8
378.15936	0.5
387.21503	0.5
389.23026	0.9
439.19489	1.5
453.21310	1.0
457.89001	0.4
532.46338	0.6
549.26746	6.8
551.28235	7.3
576.48291	0.6
620.51117	0.8
676.25763	0.5
709.55890	0.5
858.65039	3.9
859.48230	100.0
859.64911	11.1
860.48584	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	3.6
65.03925	0.4
67.05504	6.0
69.03421	3.2
69.03687	0.3
69.07064	3.6
70.06583	3.1
71.01351	0.4
71.04992	0.7
71.08643	0.4
72.02620	0.3
72.08157	0.7
73.02914	2.5
78.98956	0.4
79.05493	4.2
81.03421	2.2
81.07056	7.1
83.04993	0.9
83.08630	1.2
84.08163	0.9
85.02904	4.0
86.09705	1.6
87.04491	0.7
89.06044	1.4
91.03935	1.9
91.05476	3.6
91.05930	0.3
93.07047	3.7
94.07359	0.4
95.04984	1.3
95.08613	2.7
97.02886	4.1
97.06528	0.7
97.10196	1.0
98.20709	0.7
99.04472	0.7
101.02396	1.5
105.07041	3.8
107.04984	1.3
107.08591	3.5
109.02879	0.7
109.06540	0.8
109.10165	2.6
111.08080	0.4
114.09210	1.4
117.07053	1.1
119.08597	2.4
121.06546	0.9
121.10154	1.4
123.11751	0.5
125.09659	0.8
127.03928	1.5
129.07053	0.5
131.08595	1.3
133.08649	0.3
133.10129	1.6
135.11737	1.3
137.09627	0.7
145.10193	1.0
147.11740	0.9
149.09688	0.6
149.13326	0.6
151.11162	0.5
159.11688	0.8
165.13002	0.3
169.71988	0.3
175.11232	0.4
184.07425	1.2
185.04271	0.7
189.11261	0.4
203.05315	0.4
223.13440	1.0
227.20146	1.1
228.20502	0.6
243.08372	4.3
267.08969	0.4
268.29999	0.6
273.18607	0.4
291.19727	1.4
294.31659	0.5
296.33466	0.6
297.33609	0.4
300.75290	0.4
301.09308	0.5
315.10794	0.3
331.18848	1.2
333.20572	1.2
367.38904	0.3
369.15085	0.3
389.23157	0.3
439.19608	1.3
453.21243	1.0
469.20316	0.4
477.37256	0.4
532.45258	0.6
533.46246	0.8
549.26733	6.4
550.27661	0.5
551.28278	5.7
576.48358	0.6
577.49036	0.5
621.52106	0.4
841.63531	0.5
858.65259	4.2
859.48309	100.0
859.65076	11.5
860.48492	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	859.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
63.47449	0.4
69.03426	0.5
69.30438	0.9
69.30840	4.0
70.90085	0.4
70.95841	0.9
72.93772	3.9
75.41515	0.3
77.26115	0.4
79.05484	1.3
81.03423	0.8
85.02887	1.1
86.06011	0.4
90.94817	5.8
95.04962	1.8
97.02869	0.8
98.97536	0.6
102.94836	0.8
107.04948	69.4
108.05281	1.5
108.95854	3.7
114.94804	0.7
116.98614	0.8
120.95857	1.6
122.28058	0.4
123.04404	1.0
128.96332	1.1
128.98631	0.4
130.94273	0.5
130.97902	2.8
132.95848	6.2
134.97379	0.5
136.95227	0.4
140.96312	0.6
144.95815	3.7
144.99461	0.9
145.05022	0.4
146.97426	0.5
146.99622	0.6
148.95337	5.7
148.98952	4.6
150.96849	2.7
150.99121	0.9
156.95833	1.6
158.97395	11.2
160.98936	0.9
162.96878	3.8
162.98393	4.3
163.00504	1.8
166.96349	5.9
168.95830	2.0
170.97397	1.3
174.96826	2.3
176.98492	6.1
176.99922	0.8
178.97891	19.1
179.00279	1.1
180.99452	6.4
184.98941	0.6
186.96867	4.5
188.98499	2.3
190.96358	2.9
194.97386	2.0
196.98955	16.0
197.01189	6.4
198.96889	3.4
200.98502	0.5
202.99963	1.2
204.97986	2.0
206.95847	9.8
206.97334	0.6
206.99208	0.5
208.98976	4.6
210.96814	0.5
212.98509	1.9
214.96339	1.4
215.02248	1.1
216.97903	12.8
218.99557	0.5
219.01711	1.3
220.00465	0.9
220.98961	4.4
224.98471	1.0
226.96342	1.6
232.99057	6.4
233.99402	0.9
234.98981	100.0
235.99290	1.4
236.98413	3.0
237.02713	2.1
237.99275	0.4
238.99936	1.3
239.02090	0.7
247.00589	2.0
249.02124	1.3
251.00012	3.9
253.00032	16.6
254.99492	0.8
255.01819	0.7
258.00635	2.1
262.99969	2.9
264.99866	3.7
267.03101	0.5
274.99936	0.4
275.02167	3.4
276.99753	1.8
278.99521	3.0
289.97153	0.5
291.99802	0.5
292.99503	73.4
293.99942	0.7
295.02625	7.2
305.00998	1.7
307.98331	0.8
309.00473	0.5
323.01749	26.3
324.02475	0.6
334.02133	1.5
339.01578	1.0
341.02695	0.5
351.03708	26.9
352.04056	0.6
353.03210	4.6
359.04202	0.8
374.26611	0.5
378.02515	0.5
379.03192	3.8
381.02557	0.9
383.06415	2.4
397.05881	0.6
399.03656	25.5
400.04065	0.7
425.05032	1.7
427.05444	0.9
429.08942	2.2
440.06390	0.9
457.07889	30.0
458.08026	0.8
475.08670	0.5
485.07642	4.4
498.10577	0.5
503.08136	0.6
517.12030	0.7
561.09052	1.3
591.12463	1.4
789.12061	0.4
843.57922	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.6516
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	3.1
68.05016	0.9
68.05837	0.3
69.03436	0.7
69.07062	2.3
70.06586	21.8
70.10137	0.4
70.10550	0.8
70.61574	0.3
71.04985	0.6
71.08629	2.5
72.08151	5.6
73.02908	0.8
79.05489	2.8
81.03429	0.8
81.07050	3.1
82.06578	0.3
82.07402	0.7
83.04965	0.6
83.08627	0.7
84.08135	7.5
85.02901	0.5
85.10163	0.7
86.06068	0.4
86.09699	10.3
87.04475	0.8
88.07606	2.3
89.06020	7.7
90.32549	0.2
91.05479	2.4
92.05810	0.6
93.07036	3.1
94.07399	0.5
95.04972	0.6
95.08590	1.8
96.08139	0.5
97.02906	0.3
97.06537	0.8
97.10180	0.4
98.09717	0.4
100.07618	0.6
102.09189	1.3
105.07022	2.0
107.04948	0.5
107.08560	1.5
108.08952	0.3
109.06516	0.3
109.10164	0.8
110.07129	0.3
112.07607	0.3
114.09160	9.2
116.10731	0.3
117.07027	0.5
119.08598	1.0
121.06525	0.2
121.10165	0.7
125.09660	0.4
127.03922	0.5
129.07047	0.4
131.08575	0.6
132.10188	1.2
133.08644	0.7
133.10150	1.1
134.10500	0.3
135.11726	0.6
141.70517	0.2
143.08475	0.4
145.10155	0.7
146.11751	0.7
147.11720	0.3
149.09669	0.3
149.13252	0.3
159.11742	0.8
160.11986	0.3
167.03439	0.3
173.13391	0.3
176.12839	0.5
179.14310	0.4
184.07367	1.0
210.77513	0.2
227.12852	0.4
257.19138	0.5
259.20676	0.3
264.18198	0.8
267.15842	0.3
268.29987	3.3
269.17566	0.7
270.17816	0.4
275.20203	0.9
276.20328	0.6
277.21371	0.3
278.19769	0.5
294.31561	7.7
296.33087	8.8
308.20731	0.3
312.32581	5.8
315.05066	0.7
316.05783	0.5
317.06555	1.5
320.33545	0.3
322.22391	0.3
333.23929	0.3
334.24261	0.2
336.11063	0.3
344.01392	0.2
349.23843	0.6
350.24103	0.4
351.24884	0.3
352.23392	0.5
356.35126	2.7
366.24844	0.5
367.24945	0.3
400.37827	3.3
444.40573	2.2
488.43036	7.2
505.38412	0.3
532.45831	4.1
545.37909	0.7
576.48273	12.5
577.48749	0.4
593.27618	2.0
611.28448	1.0
620.50824	3.1
625.26813	0.3
625.44281	0.4
664.53375	3.8
687.29865	0.3
708.56525	0.8
752.58368	0.4
840.63580	0.4
858.65015	100.0
859.48004	1.4
859.65466	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	858.5563
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	6.1
61.27154	2.8
65.03928	7.1
67.05502	100.0
69.03427	6.0
69.07066	33.9
70.06581	5.2
71.04984	7.5
72.08180	3.2
74.02425	3.7
74.03598	3.2
74.13618	2.9
75.29375	3.0
79.05488	79.0
81.03412	15.0
81.07053	97.4
83.04997	8.4
83.08619	22.4
85.02930	8.6
85.06541	3.9
86.01830	2.9
86.06060	5.5
86.09704	10.5
87.05598	3.2
91.03970	3.3
91.05476	85.6
93.07045	81.2
95.04943	19.0
95.08598	59.5
97.02895	4.7
97.06529	9.9
97.10172	7.5
98.06063	3.5
98.21510	8.5
98.58644	3.4
99.08080	6.4
105.07032	81.9
107.04968	8.1
107.08589	54.0
109.06502	7.9
109.10150	42.2
111.08074	6.7
115.05452	5.1
117.07017	27.0
119.08575	63.2
121.06488	8.3
121.10143	34.8
123.07982	4.0
123.11724	9.3
125.09659	8.5
129.05449	3.5
129.06992	18.9
130.07758	4.0
131.08569	38.8
133.06082	16.0
133.10120	57.5
135.08049	6.4
135.11690	27.0
137.09628	6.8
138.05504	3.4
139.07530	3.7
141.07008	5.7
141.46019	3.3
143.08534	16.1
145.10098	29.8
147.11671	45.5
149.09625	10.9
149.13222	16.7
151.11169	6.0
155.08543	6.3
157.10136	18.7
159.11700	28.1
161.09702	4.5
161.13249	23.8
163.11150	7.0
163.14796	6.0
163.39403	3.2
165.12767	3.9
169.10143	9.9
171.11679	15.5
173.11844	7.0
173.13258	13.6
175.11266	4.5
175.14868	10.6
177.12759	3.5
183.11723	9.6
184.07339	28.5
185.13278	14.2
187.14861	5.5
195.11755	5.9
195.13734	3.2
197.13312	7.7
199.14915	5.8
209.13121	4.4
211.14740	5.9
225.16281	3.6
227.12756	5.9
229.12358	3.9
229.14285	17.7
229.16267	3.1
229.73953	4.0
231.21091	3.8
239.18030	6.1
241.19591	17.0
257.18991	8.8
259.20554	65.3
267.15930	6.8
269.17395	19.3
273.18301	3.5
275.20081	32.7
277.21796	5.9
293.20911	5.7
297.16229	3.2
315.23209	8.9
317.06522	5.8
333.24173	68.2
335.25803	11.5
349.23636	12.1
351.25629	4.5
367.24725	23.5
435.32895	6.5
453.33780	4.6
487.34164	8.1
505.35071	8.2
513.35742	9.6
515.37524	10.2
527.37317	53.8
528.37360	5.7
533.39777	4.2
545.38226	11.6
607.43475	27.7
625.44385	42.5
626.45050	3.7
643.45483	4.2
696.46582	15.4
858.50214	12.2
859.47925	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	857.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	1.4
65.03934	1.4
67.05505	3.4
69.07048	1.7
70.06590	5.2
71.04988	1.2
72.08144	1.8
79.05495	3.5
80.05005	1.2
81.03423	1.9
81.07043	2.1
82.06568	1.8
83.05004	0.9
84.04518	0.9
84.08154	0.9
85.02906	1.1
86.06084	1.0
86.09706	2.1
86.21972	0.8
87.04456	0.9
91.05485	3.9
93.05769	1.2
93.07034	5.7
94.06575	7.3
95.04958	2.4
95.06074	0.9
95.07344	5.5
95.08627	0.9
96.08122	13.4
97.06538	2.1
103.05468	1.1
106.06548	2.0
107.04942	29.0
107.07351	0.9
108.05331	0.9
108.08112	14.0
109.10128	1.6
110.09675	22.3
116.05011	1.0
118.06561	1.7
118.99899	0.7
120.04455	4.5
120.08096	20.1
120.08923	1.4
121.02850	5.0
121.06482	0.8
122.06035	5.1
122.09678	1.5
124.07588	10.2
132.08150	1.0
134.05995	3.0
136.07564	16.7
138.09128	30.3
146.05991	2.4
147.04366	1.8
147.62715	0.7
148.07568	10.0
150.05528	1.0
150.09116	3.7
151.07591	1.0
152.07045	10.3
160.07521	1.5
164.07062	7.1
166.08626	54.4
172.03954	2.9
174.05556	0.8
174.09096	1.6
178.27437	0.8
180.06522	1.3
180.10208	1.8
182.08134	8.1
182.09572	1.0
184.07481	1.1
184.27596	0.8
190.04988	12.6
197.10732	1.2
198.09175	0.8
198.11555	2.7
199.12305	1.5
204.06538	5.1
204.08148	1.1
207.06845	1.4
210.09340	0.8
211.12332	3.6
212.11023	0.9
212.13046	1.9
213.10268	1.1
216.06561	0.8
220.07536	1.5
221.08398	0.8
222.05641	1.4
222.09215	8.2
223.10141	0.7
223.12325	1.9
224.10765	1.3
225.10191	6.7
226.08723	1.1
226.11017	2.5
227.11760	5.1
232.07642	1.0
233.08467	1.3
234.09227	1.3
235.06287	1.5
235.08588	1.1
235.12141	1.3
236.09280	1.8
237.10211	3.9
238.08609	5.3
238.11002	4.2
239.09532	0.8
239.11777	11.0
240.12604	1.1
241.09738	1.2
244.09686	2.0
248.09485	1.1
249.07925	1.7
249.10199	6.3
250.02499	0.8
250.08662	25.4
250.11011	3.3
251.09273	1.6
251.11761	9.8
252.10147	3.7
252.12675	1.9
253.13329	2.8
255.11285	2.2
256.12079	3.3
257.12878	1.1
261.10208	1.0
262.08609	1.2
262.11218	1.6
263.11752	13.0
264.08716	0.9
264.12479	2.6
265.09793	2.8
265.13278	5.0
266.08047	4.8
266.10483	1.5
267.08755	1.5
267.11270	4.7
268.09448	1.2
269.12793	2.0
271.10950	1.0
271.14432	2.8
272.12802	3.0
273.12320	6.0
275.11990	0.9
277.09790	3.7
277.12799	1.0
278.08038	25.4
278.10583	3.1
279.08417	1.2
279.11261	16.9
280.12015	2.0
281.12827	7.4
282.11353	5.8
283.10699	2.5
284.11569	3.9
285.12344	16.7
289.15424	2.6
291.11246	14.4
292.12061	3.4
293.12802	10.3
295.10812	4.6
296.09061	2.1
296.11719	2.5
297.12338	25.4
298.10638	9.6
298.13559	1.1
299.13962	2.5
305.09073	1.3
305.12775	1.5
307.10831	3.6
309.12357	11.4
310.10703	55.1
311.10672	2.3
319.10785	7.9
321.12399	2.5
323.10110	4.4
324.12012	3.2
325.11801	29.1
327.10880	1.1
327.14517	1.7
328.11990	2.2
329.12851	3.6
331.14178	1.1
336.11261	1.3
337.11804	32.8
338.12494	1.6
339.13376	1.9
341.12717	8.1
342.13513	4.5
343.12939	8.3
345.15802	1.1
349.11646	1.5
350.10181	4.1
355.14453	17.4
356.14960	3.2
357.15167	4.5
358.12732	1.0
363.16898	1.1
369.15735	0.9
370.13297	5.0
371.13577	4.8
372.14368	1.0
373.15262	3.6
375.17053	1.1
383.13937	4.2
384.14444	1.2
385.15363	5.0
387.17233	1.1
389.14941	3.8
390.17886	2.2
392.19586	1.4
397.15540	1.0
399.16086	2.6
401.14819	8.0
402.15216	1.1
403.16406	11.2
405.18243	1.6
408.19214	1.5
415.16550	14.0
416.16208	1.2
420.19229	1.2
422.20633	1.5
429.14517	1.8
430.17639	2.0
431.15961	26.5
432.16431	1.1
433.17453	1.1
439.35760	0.9
441.17419	1.0
442.17599	1.7
443.16077	12.1
444.19159	1.0
445.17685	2.6
446.20593	1.6
447.15396	1.1
448.18747	3.2
449.17105	5.9
450.20160	5.0
460.18546	2.9
461.17142	2.7
462.20120	3.2
463.18597	26.3
471.10699	1.1
472.18869	1.6
476.18475	1.7
477.19479	1.2
479.17953	2.3
490.19681	10.3
491.20081	1.3
492.21216	1.7
522.22327	6.5
523.22821	1.3
536.21277	1.1
538.23511	1.9
552.24567	2.4
554.22821	6.1
566.22913	6.5
568.24048	1.1
578.22748	1.9
582.22565	0.9
584.23376	1.6
586.24994	3.5
595.24921	1.8
596.23871	43.5
597.24292	2.4
598.25458	7.3
599.26013	1.0
613.26520	38.4
614.25970	1.9
628.26495	100.0
629.27063	6.9
645.18445	1.5
645.29071	22.6
646.28778	1.5
677.26111	1.3
690.27917	1.6
701.29333	2.6
702.27386	1.8
719.30719	24.3
720.30316	1.8
751.33112	13.5
857.45233	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	1.0
63.55089	1.0
65.03942	0.9
67.05498	3.5
69.41927	0.7
70.06583	4.6
71.04984	1.0
71.55218	0.7
71.59526	0.9
72.08134	0.9
73.02887	0.9
79.05465	4.1
80.05028	1.1
81.03421	2.7
81.05728	0.8
81.07038	2.4
82.06577	1.6
84.04501	0.9
85.02876	1.6
86.06100	0.9
86.09698	1.7
91.05469	4.4
93.05764	1.4
93.07038	5.7
94.06555	6.6
95.04972	4.2
95.07346	5.6
95.08604	2.0
95.09614	0.8
96.08121	14.0
97.02924	1.0
97.10172	1.0
103.05466	1.6
105.07011	1.9
106.06540	2.2
107.04949	32.3
107.07319	0.8
108.04488	1.0
108.08102	14.1
109.08856	0.9
110.08900	1.7
110.09671	25.3
119.68636	0.8
120.04442	4.7
120.08092	20.8
121.02847	3.1
121.06487	1.8
122.06030	6.1
122.09679	1.2
123.06799	1.2
124.07581	11.8
131.08627	0.9
134.05997	2.3
136.07568	20.5
138.05473	1.5
138.09131	36.0
144.04457	1.1
145.10153	0.8
146.05989	2.1
147.04408	1.6
148.07552	11.0
150.05510	1.5
150.08101	0.8
150.09117	5.0
152.07059	9.5
160.03902	0.8
160.07581	1.6
164.07037	6.5
166.08627	56.3
172.03920	3.3
182.08148	6.9
184.07542	1.1
190.04977	11.0
194.09705	1.9
198.08965	1.0
198.11494	2.8
199.12433	1.1
204.06543	6.1
207.06746	1.2
210.09271	1.2
210.11423	1.9
211.12366	4.1
212.13107	1.6
220.07666	1.4
221.10625	0.9
222.09126	8.2
222.11240	1.2
223.10025	0.9
223.12315	1.5
224.10881	0.9
225.10277	6.0
226.08752	1.0
226.10983	2.5
227.11775	4.7
229.13409	0.9
232.07648	1.0
234.09218	1.0
235.06412	1.0
235.08452	1.0
235.12306	1.2
236.09329	1.2
236.70290	0.8
237.07863	1.4
237.09964	4.1
238.08623	4.7
238.10994	3.0
239.11745	9.9
244.09767	1.5
245.12929	1.7
249.07854	1.9
249.10107	6.3
250.08649	29.0
250.11028	4.0
251.05965	1.0
251.09241	1.3
251.11748	10.1
252.10091	2.6
252.12541	1.8
253.09760	2.1
253.13322	3.0
255.11351	2.7
256.12054	3.1
257.12976	1.2
261.10208	0.9
263.11758	12.9
264.08862	1.7
264.12628	1.5
265.09747	2.3
265.13388	5.6
266.08035	3.3
266.10620	1.7
267.08755	1.3
267.11264	6.0
269.12854	2.9
271.10742	1.8
271.14349	2.5
272.12833	2.6
273.12381	5.7
275.11804	2.2
276.08972	1.1
277.09793	4.5
278.08063	21.8
278.10556	2.2
279.08426	1.8
279.11261	14.5
280.09534	1.2
280.12253	1.4
281.12808	7.0
282.11218	6.6
283.10886	3.8
284.11551	3.6
285.09442	1.3
285.12354	16.6
289.15540	2.1
291.11246	13.9
292.12088	3.0
293.09521	1.7
293.12759	10.4
294.13589	0.9
295.10843	4.4
296.08841	1.7
296.11710	2.9
297.12296	25.9
298.10565	9.8
299.13849	3.2
303.14713	1.0
307.10767	3.4
309.12292	12.1
310.10663	49.0
311.10800	1.8
319.10712	5.9
321.12292	3.4
323.10349	3.9
324.11633	1.4
325.11798	30.8
326.11957	2.0
327.13861	1.5
328.11871	1.6
329.13123	4.0
329.16354	1.4
330.13422	1.8
331.14172	0.9
336.10941	1.0
337.11792	33.1
338.12271	1.7
339.13599	1.5
341.12659	7.7
342.13632	4.4
343.12982	7.6
349.11780	1.9
350.10257	2.6
354.13483	1.0
355.14420	16.8
356.14828	2.1
357.14542	5.0
363.16974	1.2
369.15259	1.1
370.12823	4.6
371.13660	5.1
372.14835	0.9
373.15366	2.5
375.16843	1.5
377.15002	1.0
383.13782	3.5
385.15167	5.0
387.17181	1.5
389.14932	3.6
390.18073	2.0
392.19736	1.7
397.15765	1.1
399.16446	1.8
401.14810	7.4
403.16486	10.0
405.17920	1.7
408.19122	1.9
413.14777	1.7
415.16553	11.6
420.19064	1.1
427.16254	2.2
429.14352	2.3
430.17557	1.7
431.15939	23.9
432.19022	0.9
433.18051	1.2
443.15979	15.2
444.18784	1.2
445.17651	1.5
446.20724	2.2
447.15244	1.6
448.18436	2.5
449.17398	6.0
450.20230	6.7
460.18744	3.2
461.17105	2.3
462.20303	3.7
463.18576	27.7
465.20648	1.7
472.18851	3.0
475.18469	1.3
476.18347	1.0
479.17749	4.5
480.21301	1.3
490.19727	11.9
492.20953	1.5
522.22192	7.3
524.21790	0.9
528.24866	1.2
538.22937	2.0
552.24969	1.5
554.22809	5.4
556.24652	1.2
566.22845	6.0
568.24561	1.2
584.23254	1.6
586.25549	3.7
595.25269	1.3
596.23859	40.6
597.23694	3.4
598.25464	8.5
599.25439	1.4
613.26508	38.0
614.26855	1.9
628.26477	100.0
629.27045	7.9
645.29175	25.1
646.29376	1.3
677.40149	1.0
690.28424	1.3
695.38165	1.0
701.29279	2.3
719.30664	24.2
720.30634	1.3
751.33276	13.1
857.46356	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	857.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05487	1.1
69.48354	1.8
69.48762	6.2
79.05475	1.5
80.05027	0.9
82.06573	1.4
83.38278	0.9
88.65962	0.8
91.05470	3.7
93.05788	1.0
93.07050	7.7
94.06569	7.1
95.04948	1.8
95.07346	7.7
95.08564	1.0
96.08125	18.4
98.05195	0.9
103.05443	1.7
106.06599	1.1
107.04948	14.1
108.08104	11.7
109.08926	1.2
110.09675	32.5
119.04935	2.0
120.08102	21.7
121.06522	1.4
122.06052	1.8
124.07594	2.0
136.07549	9.3
138.09132	40.3
147.04362	4.9
148.07584	7.4
152.07054	1.8
164.07010	2.0
166.08632	63.8
167.08929	1.0
182.08170	1.0
191.31683	0.8
191.53331	0.9
194.09578	2.1
196.07640	0.9
197.10751	1.3
204.06525	2.4
204.08186	2.2
207.06773	2.4
211.12306	1.6
220.07600	2.0
222.09186	7.5
222.11296	1.5
223.12242	1.2
224.10715	2.6
224.12871	1.0
232.07512	2.6
233.08348	1.6
235.06273	2.7
237.10207	2.6
238.08675	6.3
238.10802	1.6
239.09612	0.9
239.11870	2.9
240.10248	1.2
244.09671	3.2
248.09433	1.1
249.07870	1.8
249.10205	3.5
250.08627	46.9
250.10864	1.8
251.09096	1.9
251.11752	4.0
252.12402	1.6
253.13388	1.0
256.12085	1.0
263.09097	1.1
263.11694	6.6
265.09955	1.0
265.13409	1.7
266.08102	13.8
267.11237	3.0
268.09576	1.0
277.09897	2.0
277.13422	0.8
278.08096	46.4
278.10605	1.8
279.08600	1.5
279.11246	7.3
281.12875	3.1
282.11273	6.5
283.10880	1.3
285.12198	3.2
289.13086	1.1
289.15811	1.1
290.13989	1.8
291.11377	5.2
292.11954	1.8
293.12857	2.8
294.61789	1.0
295.10901	1.8
297.12326	5.0
298.10754	20.5
299.11633	1.4
301.13290	2.0
302.14178	1.2
303.14957	2.1
307.10913	1.2
309.12448	5.8
310.10696	55.7
311.10895	2.7
313.13348	2.5
314.14182	1.5
315.11417	2.2
315.14841	1.8
316.12180	2.4
317.12671	1.5
317.16360	1.2
319.10596	2.0
325.11972	3.5
327.11185	4.3
327.14685	1.9
328.12021	5.5
329.12830	14.0
330.13641	1.2
331.14206	2.0
337.11789	8.9
339.14417	1.3
340.15936	1.6
341.12848	10.5
341.16556	1.0
342.13644	9.4
343.14575	5.1
344.15048	1.0
345.15970	2.4
355.14279	1.9
356.11478	1.1
357.15656	3.3
358.13229	3.0
359.13760	2.8
363.17014	4.3
369.12280	1.6
369.14584	1.7
370.13083	3.0
371.13867	9.4
372.14746	1.3
373.15671	1.8
375.16531	1.4
377.15234	1.3
381.15912	0.9
383.13766	4.7
384.14505	1.0
385.15500	4.9
387.17023	3.1
388.14078	1.7
389.14926	10.2
391.16251	1.1
399.16925	2.7
401.14917	23.3
402.15121	2.2
403.16364	6.6
405.18149	1.1
413.14969	3.2
415.16412	1.3
418.45914	1.2
431.16000	50.8
432.16147	2.1
443.16116	6.5
445.17654	8.5
448.19147	1.2
463.18616	84.8
464.18814	2.9
475.18655	1.4
477.19321	1.3
490.19739	3.1
510.23822	1.2
522.22461	5.6
524.25500	2.1
528.24792	1.6
536.21912	2.7
552.24725	3.4
554.22736	9.4
578.23010	1.6
584.23590	1.6
596.23920	64.2
597.23608	3.3
610.25433	1.6
613.26147	5.3
628.26495	100.0
629.26965	4.6
645.29401	1.9
648.26477	1.4
672.26709	1.1
690.27966	14.7
701.29572	1.9
719.30609	5.5
722.30157	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
62.07687	1.0
67.05489	2.7
69.03399	1.3
69.90446	5.1
70.06585	1.1
71.44316	0.9
79.05479	4.7
80.04999	2.2
81.03406	1.2
81.07047	1.6
82.06567	1.2
85.02898	1.3
91.05489	4.5
93.07042	9.0
94.06567	6.8
95.04964	2.9
95.07344	5.6
95.08593	1.3
96.07538	1.5
96.08124	19.3
97.02908	1.3
97.06517	1.9
98.20750	1.0
103.05424	0.9
105.06996	1.7
105.96910	0.8
106.06528	2.0
107.04951	13.7
107.07345	0.9
107.08597	1.0
108.08110	11.7
110.09674	32.6
119.04884	1.6
120.04443	3.7
120.08104	19.1
121.02860	1.5
121.06512	0.9
122.06012	1.8
122.09625	1.0
124.07574	6.3
136.07574	11.3
138.09128	40.2
147.04405	4.9
148.07562	9.7
150.09125	2.5
152.07074	1.8
154.08568	0.9
164.07043	1.5
166.08627	64.0
167.09013	1.0
182.08078	1.7
196.07585	1.1
198.11555	1.4
211.12338	1.2
222.09129	4.2
223.12102	1.4
224.10741	1.5
225.10399	1.0
227.11812	1.9
230.91054	0.9
232.07568	1.4
233.08269	1.3
235.06383	1.2
235.12233	0.9
237.10245	2.1
238.08716	2.0
238.10989	1.4
239.11659	4.8
245.12874	1.2
249.10234	4.8
250.08656	14.4
250.10951	2.0
251.05724	1.2
251.11731	4.6
252.10352	4.0
252.12465	1.0
253.09904	0.9
253.13092	1.2
256.11972	1.3
263.11694	7.5
264.12662	1.6
265.09741	2.1
265.13370	2.0
266.08127	11.4
267.11264	3.3
271.14435	2.7
272.12878	1.3
273.12424	4.8
275.11667	0.9
277.09747	2.5
278.08102	61.8
279.08517	1.5
279.11145	8.2
281.12802	2.9
282.11194	2.0
283.10663	1.4
285.12488	4.7
287.11667	1.3
289.09695	1.5
289.15500	5.8
290.08011	2.1
291.11353	10.3
292.09537	3.1
292.12289	1.7
293.12784	5.4
295.10794	3.0
297.12350	5.0
298.10715	3.7
301.13327	1.6
303.14972	2.7
307.10745	1.4
309.12329	5.9
310.10577	8.7
313.13364	2.1
314.14105	2.9
315.11288	1.4
315.14746	1.1
316.12183	1.8
319.10782	4.2
323.10205	1.9
325.11713	5.5
327.11276	3.2
327.14859	1.4
328.12085	3.9
329.12833	12.8
330.13602	1.3
335.10196	1.4
337.03543	0.9
337.11783	16.6
338.12222	1.0
340.15604	1.1
341.12863	10.6
342.13574	7.6
343.14310	4.8
344.15146	1.2
345.15958	2.4
350.10153	13.3
351.10800	1.3
355.14551	5.1
356.11377	1.7
357.16113	4.3
358.13019	2.3
359.13788	3.0
363.16965	3.5
369.12225	1.9
370.12872	4.3
371.13864	12.3
373.15375	2.2
383.13782	5.9
385.15536	5.4
387.17126	4.5
388.13947	1.1
389.14847	11.2
390.15900	1.1
399.17001	2.7
401.14981	27.7
402.15283	2.0
403.16483	5.7
405.18091	4.6
413.09793	1.0
413.14825	4.1
415.16489	3.9
429.14301	3.4
430.17398	1.5
431.15991	100.0
432.16083	4.1
442.12936	1.1
443.16156	8.6
445.17557	2.3
446.20554	1.0
448.18796	1.8
449.17099	20.2
460.18808	1.7
462.20087	1.8
463.12628	1.6
463.18619	17.4
473.17551	1.2
490.19699	7.0
510.23898	1.7
524.25317	1.7
528.24469	1.5
536.22437	1.8
538.23267	1.2
552.24762	6.9
554.22821	13.8
556.23914	1.2
566.22992	4.4
568.23944	1.4
578.22229	3.4
582.21790	3.1
584.23853	1.2
596.23889	87.8
597.24066	3.2
613.26477	7.8
628.26501	84.1
629.26300	3.4
675.30701	1.4
677.29156	1.0
688.26410	1.1
701.29254	3.0
719.30652	16.8
720.30328	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5407
Annotation	Unknow
Peak:m/z	Relative Intensity
60.52481	1.2
61.02909	3.2
65.03924	4.9
67.05501	72.6
69.03433	9.7
69.07063	41.0
69.36317	11.9
71.04980	7.0
73.02906	3.4
77.03905	1.5
79.05487	66.1
81.03416	18.4
81.07050	100.0
82.98095	1.1
83.04971	18.0
83.08611	17.7
84.43388	1.1
85.02913	7.5
85.06538	5.7
91.05474	57.0
93.07037	66.0
95.04966	19.4
95.08604	37.9
96.40563	1.1
97.02866	4.9
97.06531	22.2
97.10156	9.8
99.04483	2.7
99.08084	2.7
103.05458	2.7
105.04555	1.4
105.07024	49.2
107.04949	11.0
107.08582	47.9
108.10271	1.1
109.02861	3.0
109.06510	10.3
109.10146	18.4
111.04440	2.2
111.08073	9.5
113.09615	2.1
115.05434	2.9
117.07008	21.8
119.08576	38.5
121.06504	7.6
121.10136	23.6
123.04421	2.0
123.08073	8.0
123.11709	6.1
125.06552	1.2
125.09618	7.5
127.03896	4.5
128.06209	1.9
129.05467	2.3
129.06967	9.0
130.07721	1.4
131.08560	29.8
133.06476	3.1
133.10121	35.9
135.08038	8.9
135.11681	19.5
137.09590	4.6
139.07579	1.4
139.11165	1.5
141.06949	4.3
143.08551	8.3
145.06448	2.9
145.10110	22.7
147.08014	3.0
147.11656	16.5
149.09595	18.0
149.13245	14.7
151.11157	4.3
153.09096	1.2
155.08476	4.7
157.10104	9.9
159.08047	2.0
159.11693	22.3
161.09636	3.9
161.13245	5.9
163.11172	11.5
165.09074	1.3
165.12730	2.4
167.08623	1.9
169.10101	5.4
171.11642	7.0
173.04469	3.2
173.09634	1.8
173.13252	8.4
175.11148	3.3
175.14833	1.4
177.12718	6.1
179.14268	6.5
181.12190	3.2
183.11649	5.4
185.13251	3.6
187.11160	2.9
187.14777	2.9
189.11148	5.7
195.11766	2.5
195.13791	9.0
197.13257	4.6
199.14810	1.4
203.14310	1.8
205.12239	1.7
211.14856	2.9
213.16516	1.7
215.18008	2.0
217.12157	1.2
225.16327	1.4
227.12735	9.3
229.14265	2.4
229.19505	2.4
235.16873	1.5
239.17885	4.9
247.20540	4.4
251.16425	1.7
253.18114	1.3
255.15848	15.2
257.18945	13.0
259.20648	1.7
263.20224	1.2
265.14499	1.5
267.15833	5.6
269.17444	44.4
273.18436	1.6
275.20047	49.5
291.19540	1.6
293.17700	1.6
293.21088	5.1
309.20724	2.2
321.24234	2.4
331.22720	2.9
349.23721	43.0
349.28012	2.2
367.24991	5.9
413.21735	1.7
423.27228	1.6
433.30847	2.9
435.27402	2.7
445.29321	3.6
449.29007	27.0
450.29108	1.8
451.32233	2.1
463.30536	27.6
464.31259	1.5
479.30200	1.5
503.33423	2.4
515.37305	1.7
525.35742	5.3
529.35242	10.6
543.36761	40.3
544.37042	1.4
547.36261	1.4
561.37622	6.7
623.43085	6.8
641.43573	4.2
857.45886	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5409
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	2.3
63.93456	1.0
65.03926	4.6
67.05500	81.3
69.03423	9.6
69.07063	40.5
69.07375	0.7
69.07449	1.5
69.75666	4.2
69.76078	2.0
71.04996	7.2
71.08620	1.5
73.02908	1.8
77.03944	1.4
79.05486	70.1
79.91022	0.9
80.05827	1.0
81.03411	16.7
81.07051	100.0
83.01317	0.9
83.04974	14.7
83.08614	19.4
85.02893	5.5
85.06535	6.1
86.06068	1.0
87.04445	1.7
89.06030	3.7
90.05554	1.1
91.03943	1.4
91.05472	59.7
93.07037	68.5
95.01294	1.0
95.04962	17.6
95.08600	43.9
96.09037	0.9
96.43701	1.0
97.02872	5.6
97.06522	19.3
97.10149	10.0
98.21466	2.0
99.04436	1.4
99.08099	6.3
103.05460	2.5
105.04523	2.3
105.07020	47.1
107.04955	11.5
107.08588	52.4
109.02877	2.5
109.06510	11.7
109.10151	20.7
111.04428	2.0
111.08068	6.4
113.09636	2.4
115.05447	3.2
117.07010	22.9
119.08572	38.4
121.06509	7.5
121.10133	26.6
123.08073	7.3
123.11696	5.8
123.37289	1.1
125.09614	9.2
127.03916	4.7
127.07531	1.0
128.06180	2.3
129.05493	2.2
129.06995	10.3
130.07784	1.7
131.08556	29.7
133.06509	1.6
133.08615	2.1
133.10120	33.9
135.08083	5.8
135.11682	22.7
137.09579	7.5
139.07549	1.1
139.11151	1.9
141.07002	3.9
142.07768	2.8
143.08565	8.9
145.06477	2.7
145.10110	25.5
147.08090	2.5
147.11668	15.9
149.09607	19.2
149.13257	17.6
151.11179	4.2
153.09076	1.1
155.08592	5.0
157.10107	9.8
159.08070	2.0
159.11670	23.1
161.09622	2.0
161.13260	7.3
163.11194	10.5
165.09178	1.3
165.12787	2.7
167.08545	1.4
169.10101	5.4
171.11649	7.9
173.04501	3.4
173.09595	2.1
173.11853	2.0
173.13232	9.1
175.11217	2.8
177.09099	1.2
177.12700	7.1
179.14304	5.4
181.10075	2.3
181.12239	2.2
183.11624	5.0
185.13231	3.7
187.11192	3.2
187.14819	2.5
189.11255	5.6
189.12704	1.9
191.14351	1.2
193.12277	2.0
195.11847	2.1
195.13797	9.5
197.13251	4.2
199.11188	1.4
199.14830	2.1
201.12743	1.5
201.16385	1.5
203.14265	1.0
205.12215	1.4
207.13861	1.5
209.13286	2.0
210.14888	2.2
211.14830	1.2
213.14781	2.0
215.17943	1.3
215.60805	0.9
225.16206	1.3
227.12726	9.3
227.17848	1.3
229.14235	1.3
229.19533	2.6
233.15378	1.3
235.16911	1.0
239.18002	5.1
247.20612	4.5
251.16333	2.4
253.14195	1.0
255.15855	15.8
257.18985	12.6
259.20554	1.2
267.15900	5.7
269.17462	46.8
273.18390	1.7
275.20053	49.0
276.20398	1.9
291.19449	1.8
292.19751	1.1
293.21259	4.7
299.20148	1.4
303.15814	1.0
313.21567	1.5
313.27374	3.3
321.24377	2.1
331.22635	2.9
339.22748	1.1
349.23703	39.1
353.24503	1.5
367.24664	6.0
413.21707	1.7
423.27463	1.9
431.27863	2.0
433.30634	1.2
435.27161	2.4
441.33810	1.0
445.29422	2.5
447.31079	1.6
449.28955	25.6
451.32169	1.9
463.30521	34.4
469.33121	2.0
503.33441	1.8
505.38956	1.4
519.33411	1.3
525.35742	3.9
527.37628	1.0
529.35266	9.6
534.76648	1.0
543.36774	39.9
547.36206	1.5
561.38062	5.8
607.34222	1.8
623.42694	5.9
630.45575	4.1
636.43121	1.0
641.43311	2.7
687.40704	1.2
857.46783	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	48.4
61.77259	2.1
62.37408	2.2
67.05502	60.2
69.03422	6.4
69.07051	9.8
71.04995	2.6
71.58997	3.0
73.02911	15.0
79.05080	2.9
79.05495	31.1
81.03395	2.8
81.06582	4.4
81.07053	75.7
83.08617	6.9
85.02901	67.4
85.06503	2.2
86.09672	4.7
91.03404	4.0
91.03947	61.5
91.05484	16.0
93.07040	49.1
95.04939	4.4
95.08604	62.7
97.02883	34.4
97.06544	3.6
97.10148	2.2
99.04433	3.5
100.91705	2.1
105.07019	15.0
107.08594	39.3
109.02837	2.7
109.06567	2.3
109.10152	36.6
110.67891	2.4
111.08069	2.6
113.09576	3.1
115.03928	3.6
115.25871	2.0
117.07007	9.8
119.08594	13.1
121.10140	31.6
123.11674	16.4
124.99962	6.1
127.03900	26.0
131.08583	18.9
133.10133	11.8
135.11682	23.9
137.13226	6.6
139.11177	3.0
145.04973	35.3
145.10097	14.4
147.11671	10.5
149.13251	18.4
151.14815	2.4
159.11731	14.0
161.13249	10.1
163.06021	56.2
163.14810	15.3
165.12727	2.9
168.07672	2.3
173.13263	16.4
175.14789	4.7
177.16335	5.2
178.19121	2.2
179.14232	4.4
184.07335	21.4
187.14912	10.5
187.16342	2.9
191.14284	3.3
205.15950	3.0
243.21065	36.7
261.22128	100.0
262.22668	2.7
263.23410	2.4
325.11124	3.4
335.25797	36.9
353.26788	63.8
354.26974	2.6
491.36557	2.4
497.31012	8.2
732.43304	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	2.8
65.03925	4.2
67.05499	83.3
69.03428	12.3
69.07063	39.9
69.35111	13.7
71.05006	6.2
71.08613	1.2
73.02900	3.1
74.14140	1.2
79.05486	74.8
81.03413	14.2
81.07050	100.0
83.04982	13.5
83.08605	19.1
85.02882	6.1
85.06538	5.5
91.05474	66.0
93.07034	73.9
95.04952	19.5
95.08599	46.5
97.02879	6.0
97.06520	21.3
97.10163	11.4
99.04484	1.7
99.08095	5.4
103.05448	2.8
105.04504	1.6
105.07022	60.1
107.04955	12.9
107.08584	52.8
109.02864	3.6
109.06522	9.6
109.10145	17.2
111.04459	2.2
111.08083	5.7
113.09664	2.3
115.05461	3.6
117.07008	25.6
119.08574	43.3
121.06496	8.5
121.10127	24.6
123.08052	7.0
123.11713	5.6
125.09603	10.0
127.03902	5.6
128.06229	4.4
129.05508	1.5
129.07005	12.4
130.07854	1.4
131.08559	33.0
133.06395	1.9
133.10118	36.6
135.08057	7.5
135.11679	23.5
137.09637	4.9
139.11174	1.6
141.06998	5.3
142.07835	2.4
143.08542	10.5
145.06470	2.3
145.10115	28.4
147.08015	3.7
147.11668	21.2
149.09615	19.9
149.13252	13.3
151.11182	3.2
153.07094	1.5
153.09065	2.9
155.08507	8.1
157.10078	9.6
159.08086	1.6
159.11671	21.0
160.03278	1.3
161.09671	3.4
161.13283	6.2
163.11166	13.7
165.12724	2.4
167.08566	2.3
168.09413	1.4
169.10086	7.8
171.10353	1.6
171.11655	7.2
173.04498	2.5
173.09671	2.0
173.13176	9.5
175.11230	3.1
177.12735	6.7
179.14244	3.1
181.10126	2.5
181.12241	1.8
183.11676	6.0
185.13301	5.7
187.11153	2.9
187.14818	4.5
189.09593	1.2
189.11256	6.3
189.12708	1.8
193.10246	1.6
193.12248	1.6
195.11865	2.6
195.13760	6.4
197.13297	4.4
199.14842	3.1
203.14429	2.2
205.12198	2.2
209.13454	2.0
211.14845	2.6
215.14397	1.8
215.17946	2.0
217.15930	3.1
227.12714	13.5
229.14330	2.9
229.19600	3.9
235.16975	2.2
239.18001	6.2
245.13861	1.5
247.20581	4.2
255.15813	14.6
257.18985	15.2
259.20673	1.5
267.15900	4.7
269.17450	38.8
270.17578	1.3
273.18512	2.8
275.20047	55.9
282.46960	1.3
291.19547	2.4
293.21033	6.3
299.19958	1.8
309.20721	1.8
313.21747	1.7
331.22702	3.6
349.23703	46.5
362.13547	1.5
367.24808	6.9
413.21643	1.6
431.27902	2.0
433.31030	1.5
435.27377	3.4
447.31555	1.4
449.28946	17.5
463.30453	18.2
503.33560	3.3
515.37091	1.7
519.32831	2.2
525.35870	6.8
529.35168	9.3
542.36780	1.2
543.36707	33.4
547.36584	2.2
561.37555	3.4
607.33923	1.5
623.42963	8.8
641.43890	5.1
856.63885	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	63.2
62.88124	0.9
65.03953	1.5
67.05501	37.8
69.03436	5.1
69.07070	7.9
71.04994	2.8
71.84938	1.1
73.02913	24.0
75.04482	1.3
79.05488	28.6
81.03418	3.1
81.07057	45.6
83.08631	4.4
85.02902	83.9
85.06538	1.3
86.09671	1.1
87.04485	1.6
91.03951	70.4
91.05476	14.8
93.07043	36.7
95.04971	3.3
95.08607	38.9
97.02891	34.4
97.03519	1.7
97.06549	1.9
97.10214	2.3
98.21500	2.5
99.04456	3.9
99.08083	1.9
103.03954	2.2
105.07027	12.1
107.08593	26.3
107.09303	1.8
109.02885	2.0
109.06519	1.3
109.10159	20.9
111.08082	1.2
113.09595	1.3
115.03931	3.7
117.05497	0.9
117.07005	6.1
119.08595	10.2
121.10143	22.3
123.11697	13.9
125.09621	1.2
127.03916	32.2
131.08577	14.5
133.10118	11.9
135.11682	20.7
137.09645	2.1
137.13243	5.5
139.11180	1.4
145.04962	47.4
145.10092	12.5
147.11659	8.4
149.13249	18.1
151.11185	2.1
151.14813	2.5
159.11688	11.3
161.13246	8.6
161.14455	1.2
163.06012	95.8
163.14806	13.7
165.12773	2.2
173.13248	11.9
175.14859	3.5
177.12729	1.4
177.16402	6.2
179.14334	2.3
184.07333	2.6
187.14804	8.6
191.14369	1.7
201.16388	2.2
204.08646	1.4
205.15875	1.2
219.17477	1.1
233.22714	3.4
243.21080	37.1
261.22131	100.0
262.22495	2.0
263.23676	1.9
269.24878	1.0
279.23251	3.0
325.11209	4.2
335.25775	19.8
353.26846	66.6
354.27237	1.2
497.30798	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5308
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	0.5
61.12273	0.3
67.05485	0.4
68.05029	2.2
69.03403	0.3
69.07079	0.7
69.61615	2.9
70.06586	44.1
71.06911	0.4
72.08149	8.0
72.08530	0.6
73.02914	1.7
75.64919	0.3
78.26266	0.3
79.05490	0.4
81.03410	0.6
81.05782	0.8
84.04475	0.5
84.08138	5.9
85.02927	0.8
86.06095	0.6
86.09697	3.2
87.04472	1.0
88.07616	1.8
89.06026	9.3
94.06570	0.7
96.04575	0.4
96.08128	3.5
97.02905	0.4
98.09695	1.6
101.00570	0.4
104.10742	0.4
107.04996	1.2
110.07209	0.5
112.07613	0.9
114.09158	42.3
115.09515	0.5
116.10757	0.9
120.08117	0.6
127.03908	0.5
132.10226	1.0
133.08580	0.4
136.07559	0.4
137.05980	1.5
140.10707	0.5
148.27032	0.4
149.00519	0.5
155.17473	0.3
158.11740	1.9
175.07597	0.4
176.12875	0.8
184.07455	0.6
202.14365	1.8
220.15569	1.0
246.17058	0.7
264.18170	0.8
267.15961	0.5
296.06262	0.4
303.05042	1.3
308.20605	1.6
352.23279	2.6
396.26093	2.6
410.74796	0.4
440.28506	2.7
484.30951	2.4
528.33960	1.5
572.36511	1.5
616.39203	0.4
761.38977	0.5
854.53101	100.0
855.53473	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	856.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	75.7
67.05175	3.5
67.05505	57.5
69.03426	9.1
69.07056	8.6
70.66279	7.4
71.04990	3.7
73.02919	28.2
79.05491	32.7
81.03413	2.8
81.06583	3.6
81.07059	76.6
83.08606	5.7
85.02905	94.4
85.06557	2.9
87.04498	2.4
91.03953	93.0
91.05476	20.7
93.07039	41.5
95.04972	5.3
95.08606	49.7
96.82576	2.0
97.02890	49.3
97.03484	1.7
97.10128	3.9
99.04445	5.5
99.08063	2.4
103.03916	2.5
105.06425	2.5
105.07027	16.7
107.08601	33.8
109.02843	2.6
109.10159	31.0
115.03928	5.1
117.05517	2.6
117.07001	6.9
119.08572	15.1
121.10131	30.7
123.11691	16.4
125.33850	2.0
127.03931	39.6
131.08548	15.2
133.10153	10.1
135.11720	23.2
137.13231	4.4
145.04956	50.5
145.10143	13.3
147.11678	13.4
149.13257	16.6
151.11201	2.7
151.14920	2.5
159.10629	2.1
159.11668	12.4
161.13271	9.6
163.06020	99.0
163.14822	14.2
164.06366	3.2
165.12755	3.8
173.13231	12.6
177.16411	5.1
179.14291	5.2
184.07277	3.0
187.14825	7.2
201.16481	3.1
233.22658	2.8
243.21068	36.3
261.22153	100.0
262.22327	4.7
279.23196	5.1
288.21417	2.3
306.12228	2.4
325.11310	3.5
335.25742	36.6
343.02267	2.2
353.26855	66.3
422.65613	2.7
443.28088	2.4
497.31003	6.2
613.78857	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	854.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	1.7
65.03923	3.1
67.05499	58.4
69.03425	12.1
69.07062	37.9
69.07447	1.5
70.09014	1.9
70.09412	1.3
71.01350	1.1
71.05003	5.5
73.02898	1.6
77.03924	0.9
79.05486	47.0
81.03411	10.1
81.07050	62.5
83.04971	10.2
83.08611	13.8
85.02891	3.5
85.06537	4.1
87.04439	0.7
89.05992	1.0
91.03960	1.7
91.04625	0.8
91.04874	1.1
91.05470	45.4
93.07034	47.6
94.04193	0.9
95.04961	15.3
95.08595	24.3
97.02882	9.5
97.06513	11.6
97.10159	13.8
98.20802	0.9
99.04402	1.5
99.08068	2.2
102.54445	0.7
103.05448	1.9
105.04491	0.8
105.07019	35.0
107.04940	12.7
107.08585	31.7
109.02840	2.1
109.06506	7.0
109.10136	19.8
111.04418	2.1
111.08097	4.0
113.09684	0.8
115.05434	2.1
117.07004	17.0
119.04947	1.8
119.08569	23.4
120.05718	0.7
121.06480	7.2
121.09300	1.0
121.10141	11.2
123.04400	1.2
123.08068	6.2
123.11678	4.3
125.06019	0.7
125.09618	11.5
127.03908	1.9
128.06212	1.4
129.05447	0.7
129.06982	7.5
130.07764	2.2
131.08554	16.8
133.06500	5.1
133.10121	24.6
134.07275	0.8
135.08046	7.3
135.11682	9.7
137.09627	4.2
141.06960	2.2
142.07726	1.3
143.08531	6.2
144.63304	0.7
145.06502	1.3
145.10098	13.8
147.08063	6.3
147.11687	7.2
149.09616	11.2
149.13258	8.7
151.11172	7.7
153.09091	1.6
153.12711	1.0
155.08495	1.3
157.10126	4.8
159.08067	1.5
159.11681	10.5
161.09622	4.7
161.13264	2.1
162.10362	0.9
163.11162	7.2
163.14958	0.6
165.09119	1.4
165.12790	1.1
167.08549	0.8
169.10094	2.6
169.12251	2.3
171.10295	1.4
171.11702	3.8
173.04460	1.4
173.09572	1.2
173.13226	3.3
175.11136	2.9
175.14716	0.8
177.09138	0.7
177.12718	4.4
179.10649	1.2
183.11679	1.3
185.13263	2.5
187.11223	1.6
187.14825	1.8
189.11200	4.2
189.12688	1.6
193.12222	1.0
195.12221	0.7
195.13760	4.1
196.89923	0.7
197.13283	1.5
199.11137	1.3
199.14880	0.9
201.12738	1.1
203.14270	0.8
205.12212	3.0
213.12805	0.7
213.14818	0.9
215.12784	0.7
223.13269	16.0
227.12749	8.4
227.17934	1.6
229.19505	1.9
233.15474	0.9
239.17821	0.9
245.18983	2.3
247.20541	1.1
249.14854	2.7
253.14305	13.9
255.15582	5.4
257.18985	4.9
263.19940	1.7
267.15857	2.6
269.17456	23.3
271.15414	1.1
273.15424	1.1
273.18463	19.9
275.20056	17.0
291.19516	100.0
292.19861	1.7
293.20953	0.9
309.20398	1.9
329.21054	1.4
331.22473	1.4
347.22208	3.9
349.23715	14.0
350.23386	0.8
365.23193	36.9
367.24799	2.1
413.21768	1.5
447.27383	1.1
461.29062	1.5
465.28482	0.9
467.30859	0.9
519.32483	0.9
526.30371	0.8
527.33868	1.2
541.35077	3.1
545.34668	14.0
559.36261	54.6
560.36646	1.1
601.34418	0.8
621.41431	1.0
639.42365	13.5
657.43268	2.2
703.40350	1.1
854.45502	10.2
855.45996	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	1.0
64.46716	0.6
65.03928	3.1
67.05497	48.8
69.03421	12.0
69.07061	36.3
69.25769	7.7
70.06564	0.6
71.05009	4.5
73.02897	1.5
75.03581	0.6
77.03914	1.1
78.04713	0.7
79.05485	43.0
81.03410	9.9
81.07048	48.4
83.04972	9.2
83.08610	13.6
85.02910	3.2
85.06530	3.0
87.04422	0.7
89.06081	0.7
91.05470	35.9
93.07033	38.8
94.04149	0.7
95.01294	1.0
95.04956	14.0
95.08599	23.3
96.08142	0.8
97.02879	9.9
97.06518	11.9
97.10156	16.9
98.21507	1.2
99.04388	0.7
99.08071	1.9
103.05455	1.7
105.03405	0.9
105.07017	31.2
107.04946	12.0
107.08581	27.0
109.02874	1.3
109.06507	6.9
109.10143	13.0
111.04449	1.0
111.08076	4.2
113.09599	0.8
115.05453	2.3
116.06160	0.8
117.07005	13.9
117.13725	0.7
119.04914	1.4
119.08570	21.8
121.06498	6.3
121.10130	11.3
123.04372	0.9
123.08078	4.0
123.11685	3.1
125.09625	13.0
127.03876	2.9
127.07520	0.9
128.06244	0.9
129.06972	5.9
130.07764	1.6
131.08565	16.5
133.06485	4.7
133.10118	14.2
134.07246	0.7
135.08023	6.7
135.10782	1.0
135.11682	8.9
137.09616	3.2
139.07535	1.0
139.11188	0.8
141.06941	1.9
142.07764	0.8
143.08537	5.5
143.10660	0.7
144.09319	0.8
145.04962	1.0
145.06464	2.0
145.10104	14.0
147.08014	7.7
147.10623	1.0
147.11674	9.6
149.09602	11.1
149.13248	6.8
151.11130	3.0
153.09053	1.6
153.12679	0.8
155.08534	2.3
157.10083	4.1
159.08063	0.9
159.11678	11.0
161.09596	3.3
161.13220	4.1
163.11176	6.9
165.09157	1.2
165.12636	1.2
167.08621	0.7
169.10109	2.8
169.12280	0.8
171.07997	0.7
171.10217	1.4
171.11655	4.2
173.04504	1.3
173.09651	1.8
173.11792	1.5
173.13251	3.1
175.11198	3.3
175.14664	0.8
177.12714	3.5
179.08426	0.8
179.10651	1.0
179.14317	2.5
179.60068	0.6
181.10040	1.0
181.12166	0.7
183.11664	2.0
185.13234	1.8
187.11115	1.0
187.14778	1.1
189.11203	8.5
189.12727	1.1
189.16414	0.8
189.47806	0.6
193.12198	1.3
195.13757	3.3
197.13184	1.6
199.11209	0.9
199.14925	1.1
203.14168	0.8
205.12173	2.2
211.14969	0.8
213.14760	1.1
213.16570	0.8
221.15518	0.6
223.13266	18.2
227.12752	18.2
227.14883	1.0
227.17766	0.9
229.14359	1.3
229.19490	2.2
233.15324	1.2
237.16487	0.9
239.17967	3.0
245.18895	1.2
247.16928	0.6
247.20538	0.9
249.14876	2.8
253.14278	1.3
253.18019	1.0
255.15657	3.9
257.18948	7.7
261.18567	1.2
263.20288	0.8
267.15878	1.9
269.17480	12.0
273.18439	16.8
275.20047	29.9
275.43790	0.7
289.18024	1.5
291.19510	100.0
292.19785	2.4
293.17804	0.8
293.20975	1.6
309.20496	1.9
311.20096	0.8
313.13461	0.7
321.24472	0.8
331.22656	1.8
333.24179	0.9
347.22165	3.2
349.23688	25.0
365.23187	43.4
366.23410	1.0
367.24695	1.3
439.04440	0.7
461.28644	2.1
513.35089	0.7
519.33014	2.7
535.32678	2.4
541.35132	2.4
543.36658	1.9
545.34589	11.4
559.36230	36.1
603.40302	1.1
621.41565	3.4
639.42499	29.7
657.43164	2.7
703.39783	1.6
707.16998	0.8
854.45111	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	854.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	19.6
64.32194	0.6
65.03943	3.3
67.05497	100.0
68.05845	0.7
69.03423	7.7
69.06712	1.1
69.07065	18.0
69.28133	1.1
69.28542	5.8
70.06589	1.1
71.01340	2.1
71.04988	6.6
71.08628	0.7
73.02913	7.8
79.05002	0.9
79.05486	43.2
81.03411	16.0
81.07048	75.6
83.01378	0.8
83.04977	11.8
83.05450	1.0
83.08611	21.0
85.02894	33.3
85.06535	5.9
86.09695	0.7
87.04447	4.0
91.03947	13.1
91.05470	29.1
93.07032	42.1
95.04955	10.7
95.08597	23.8
96.04508	1.1
97.02882	16.7
97.06527	11.6
97.10160	15.5
99.04449	2.7
99.08082	2.1
103.03940	1.4
103.05488	1.0
105.04547	0.8
105.07024	12.6
107.04942	5.6
107.08582	29.5
109.02898	1.4
109.06492	3.9
109.10144	56.3
110.10434	0.7
111.04458	2.1
111.08063	8.2
113.06010	1.4
115.03926	0.8
116.04726	1.0
116.83994	0.6
117.07004	9.7
119.08566	11.8
121.06488	3.4
121.10127	12.5
123.04426	0.6
123.08050	3.0
123.11692	4.3
125.05917	0.8
125.09615	13.7
127.03905	6.2
129.05476	6.2
129.07028	2.9
131.08551	10.4
133.06526	0.8
133.10124	14.6
133.11075	1.1
133.12012	0.6
135.08047	2.4
135.11668	11.6
137.09608	3.9
141.07013	0.6
143.08540	1.4
143.10674	2.0
145.04979	4.9
145.06480	0.8
145.10097	5.4
147.08055	1.6
147.11664	6.7
149.09592	2.2
149.13240	11.7
151.11163	1.5
153.12770	2.9
154.04901	0.8
155.08571	0.7
155.10669	2.9
157.10135	1.7
159.11682	8.5
161.13255	0.7
163.06007	6.7
163.11171	8.1
165.12697	3.6
171.06554	0.7
171.10251	0.7
171.11673	0.6
173.04543	1.5
173.09628	1.7
173.11725	17.1
175.11179	1.3
177.12749	4.1
179.14235	0.6
181.12231	2.3
183.06612	0.7
185.11737	1.1
189.11197	1.0
191.10657	3.3
193.12204	4.7
195.13776	13.2
199.13298	6.9
200.13817	0.8
209.11642	6.1
211.13271	4.8
213.14899	2.3
221.55159	0.7
227.12740	9.1
227.14584	0.8
229.14334	48.6
239.12732	1.0
239.16414	4.7
241.14346	0.6
249.14914	0.9
257.13840	1.5
265.14429	1.0
267.06708	0.9
267.11057	0.7
267.15872	13.3
269.17447	55.2
283.15347	8.9
284.83917	0.7
285.16971	1.5
295.15649	0.8
295.18964	1.0
297.17020	1.2
301.16397	17.4
313.16409	1.7
323.18536	1.6
339.22855	1.4
357.24252	1.4
393.26315	2.8
411.27313	4.9
422.26593	1.3
423.27359	38.6
431.27969	3.5
432.49350	0.7
449.28989	2.1
459.27582	1.4
477.28519	4.4
495.29489	85.9
496.29446	1.0
513.30560	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02632	1.4
61.02921	17.3
65.03927	3.1
67.05496	93.8
69.03421	7.4
69.07063	18.7
69.98548	1.0
70.06577	1.1
71.01347	2.0
71.04995	6.3
71.11836	2.1
73.02910	9.8
79.05484	44.0
81.03409	15.0
81.07047	73.7
83.01294	0.9
83.04973	9.0
83.08609	21.6
85.02894	33.5
85.06523	4.4
87.04462	3.8
91.03947	13.3
91.05470	31.6
91.05904	0.8
93.07033	43.9
95.04964	11.3
95.08595	23.6
97.02878	14.2
97.06518	10.1
97.10166	12.3
99.04430	1.7
99.08096	2.3
103.03934	1.9
105.07023	14.3
107.04951	6.7
107.08582	29.5
109.02843	2.0
109.06516	3.9
109.10144	54.0
111.04434	2.7
111.08064	7.1
111.11681	0.9
113.06000	1.5
115.03913	1.0
116.04762	0.8
117.06993	8.4
119.08562	13.1
121.06497	3.8
121.10123	14.5
123.08083	2.4
123.11683	3.5
125.06052	0.9
125.09614	13.3
127.03912	6.0
127.11160	1.2
129.05461	4.9
129.06998	2.1
131.08566	9.4
133.10127	13.7
135.08058	3.4
135.11671	11.2
137.09648	2.7
139.11194	1.6
143.08525	1.2
143.10657	2.6
145.04942	6.3
145.10123	4.2
147.08105	1.0
147.11650	4.6
149.09668	1.5
149.13251	11.4
151.11157	1.9
153.12738	3.4
153.19901	0.9
155.10640	1.9
157.10222	1.2
159.11659	7.9
163.05980	5.3
163.11206	6.9
165.12733	2.1
167.14354	1.2
173.11726	15.7
173.13179	1.6
177.12708	4.4
181.12245	2.6
185.11734	1.5
191.10637	4.0
193.12276	4.7
195.13770	15.2
199.13319	7.0
209.11659	8.3
211.13245	3.3
213.14787	1.7
227.12772	8.9
229.14325	46.0
239.16394	2.6
257.13812	6.1
267.15918	12.3
269.17447	66.8
283.15356	7.3
285.16919	1.8
300.96417	0.9
301.16452	18.0
357.24088	1.1
369.37863	1.2
393.26312	1.9
411.27319	7.7
423.27371	52.8
431.28043	2.9
449.28790	1.7
459.27090	1.9
477.28375	4.7
495.29489	100.0
496.29910	1.8
513.30579	27.8
514.30511	1.9
717.16376	1.0
822.46539	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	853.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	7.9
65.03947	0.7
67.05496	7.7
69.03426	5.3
69.07057	2.5
70.06589	1.3
71.01347	1.0
71.04988	1.1
71.60014	0.7
73.02912	5.2
79.05486	4.6
81.03428	2.6
81.07052	5.8
83.04993	0.8
83.08603	0.6
83.55354	0.4
85.02900	8.4
87.04450	2.6
87.29348	0.4
89.06026	5.3
91.03936	5.2
91.05453	3.3
93.07043	3.9
95.04966	2.0
95.08593	3.9
97.02880	7.9
97.03427	0.7
97.06509	0.9
97.10159	0.7
99.04448	1.7
101.02374	2.5
103.03953	0.6
103.05473	1.1
105.07019	21.6
106.07385	1.7
107.04956	1.0
107.08592	2.7
109.02866	1.2
109.06548	1.0
109.10131	5.6
109.10806	0.5
115.03909	0.8
117.06982	0.9
119.08572	2.3
121.06474	0.8
121.10139	1.8
123.11780	0.7
127.03906	1.9
129.06992	0.8
131.08588	1.9
133.08589	3.4
133.10126	1.1
135.08040	0.8
135.11717	1.1
145.04922	0.6
145.10089	1.2
147.08089	0.6
147.11697	1.0
149.09723	0.6
173.11804	1.4
177.11285	1.3
185.04192	0.7
203.05328	1.1
225.12857	0.7
229.14377	1.2
243.08345	2.4
273.18661	0.7
275.20016	0.7
291.19702	0.9
329.18991	0.6
335.26093	1.1
347.09506	3.2
363.09073	0.7
365.10623	0.9
405.13702	7.6
413.17859	5.1
519.29260	5.5
575.23322	5.2
609.45520	0.7
627.46436	1.2
681.34406	7.8
691.40826	1.5
853.45428	100.0
854.45764	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	853.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	8.0
65.03938	0.7
67.05500	8.4
67.27864	0.4
69.03423	4.4
69.07069	1.6
70.06588	0.4
71.01345	0.8
71.04985	1.1
71.59742	0.8
71.95271	0.4
73.02908	4.9
79.05488	3.4
81.03410	2.1
81.07051	4.8
83.04980	0.6
83.08609	1.2
85.02898	7.9
87.04470	1.0
89.06027	1.7
91.03949	4.6
91.05476	2.8
93.07043	4.8
95.04962	1.5
95.08606	3.2
97.02888	7.3
97.06518	0.7
99.04441	1.1
101.02371	2.7
102.56932	0.4
103.03967	0.4
105.07007	6.2
106.07377	0.6
107.04922	0.7
107.08593	2.5
108.05239	0.4
109.02891	1.5
109.06542	0.6
109.10163	4.2
111.04427	0.5
115.03928	0.6
117.07047	0.7
119.08586	1.7
121.06480	0.6
121.10146	1.7
125.09653	0.4
127.03912	3.0
131.08577	1.3
133.08641	0.8
133.10121	1.5
135.08105	0.5
135.11664	0.5
137.94621	0.5
145.10136	0.6
147.11682	0.7
149.09662	0.6
158.38113	0.4
165.51923	0.5
173.11827	0.9
173.13216	0.5
185.04175	0.9
191.95592	0.4
195.09956	0.9
203.05296	1.0
215.87016	0.4
229.14438	1.0
243.08414	1.7
245.06737	0.4
255.59285	0.4
273.18524	0.6
275.20212	0.9
291.19565	0.9
301.20319	0.5
334.31772	0.4
335.25894	1.2
340.14642	0.5
347.09375	2.5
363.09344	0.7
365.10529	1.2
365.23648	0.5
385.67184	0.4
405.13599	6.4
413.17810	5.7
462.31598	0.4
519.29211	6.2
575.22974	4.3
609.45648	0.5
616.67047	0.5
627.46399	1.2
681.34613	7.0
691.40228	1.6
853.45477	100.0
854.45947	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04994	0.4
65.03931	0.4
67.05504	1.1
69.03419	0.4
71.05006	0.5
71.24129	0.3
73.02898	1.2
73.06546	1.9
77.03920	0.6
79.05486	6.7
81.03436	0.3
81.07051	0.5
87.03914	0.4
87.04462	9.3
89.06022	57.5
90.06348	0.3
91.05470	12.0
91.07594	0.6
93.07028	2.3
95.04961	2.8
103.05460	7.4
105.07018	100.0
106.07358	1.0
107.04959	2.2
107.07089	1.2
109.10152	0.8
113.06019	0.4
115.05453	0.3
116.06234	0.7
117.06977	1.9
117.09118	1.6
119.04932	1.1
119.07816	0.2
119.08567	6.1
121.06492	16.1
128.06229	1.6
129.06995	4.3
130.08611	0.8
131.04922	0.3
131.07071	3.0
131.08549	9.7
132.05710	1.1
133.06459	1.0
133.08589	37.7
133.10194	1.3
135.08095	0.7
135.10144	0.3
135.11711	0.3
145.06480	1.1
145.10149	0.3
147.08031	44.3
148.08394	0.7
149.09598	8.6
150.09976	0.3
159.07956	0.4
163.07561	0.5
165.05699	0.3
165.07030	0.7
165.09074	1.3
166.07800	0.7
173.09616	0.9
175.09662	2.1
175.11075	0.5
177.11201	13.0
178.07780	0.4
179.08560	0.7
181.10121	1.8
191.10597	0.6
192.09462	0.3
193.12199	0.4
207.11728	0.4
208.08771	0.6
209.13364	0.4
219.12244	0.5
221.13864	2.0
223.11133	2.7
225.12712	21.8
226.12991	0.3
227.12630	0.4
229.14343	0.8
237.12918	0.4
239.14810	0.6
249.12726	3.4
251.14264	3.2
255.15878	0.4
265.16437	0.4
267.13840	0.6
269.15305	2.8
271.15262	0.5
283.17426	0.6
295.16809	0.6
309.19116	0.4
311.16235	0.9
313.17889	1.4
315.18048	0.5
327.17239	0.6
329.18942	0.6
335.25656	0.4
341.19482	0.4
373.21570	7.6
381.76489	0.3
489.35419	0.4
507.28528	0.3
619.28241	0.3
727.42426	0.6
831.48206	0.5
848.50372	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	1.0
67.05500	18.5
69.03426	7.2
69.07063	20.2
71.04985	0.7
79.05052	1.1
79.05487	15.1
81.03411	4.1
81.07055	15.6
83.04964	2.3
83.08614	6.4
85.06524	0.9
87.04453	0.7
91.05477	12.9
93.07042	13.1
95.04955	6.1
95.08609	8.6
97.02888	6.9
97.06559	3.1
97.09547	0.6
97.10166	9.5
105.03371	0.6
105.07024	11.0
107.04952	5.6
107.08592	9.7
108.05726	0.7
109.06523	1.4
109.10150	5.1
111.04407	0.9
111.08054	1.1
115.05392	0.8
117.07007	5.8
119.04948	1.0
119.08577	9.1
121.06493	3.0
121.10149	3.0
123.08048	3.2
125.09613	8.5
128.06172	0.6
129.06985	2.3
130.07785	1.1
131.08565	6.6
133.06471	2.4
133.10104	3.5
134.07303	1.4
135.08086	2.8
135.11705	1.5
137.09608	1.9
143.08546	2.8
145.06432	0.8
145.10104	4.5
147.08034	5.7
147.11676	2.1
149.09665	1.3
149.13258	1.5
151.11118	0.6
153.09146	0.9
155.08467	0.8
157.10129	1.9
159.11711	1.9
161.09599	2.4
161.86281	0.6
162.10339	1.1
163.11197	1.4
165.09132	1.4
171.10327	0.9
171.11639	1.3
175.11192	2.7
177.12753	1.7
179.10619	0.5
185.09612	0.6
185.13374	0.7
189.11177	3.4
193.12202	0.7
195.13760	1.1
205.12196	0.9
211.13281	0.6
223.11108	1.0
223.13268	18.3
227.12729	5.5
227.17844	0.7
245.18990	1.9
249.14888	2.3
255.17349	1.2
263.20154	0.6
267.15939	0.9
273.15469	0.7
273.18472	16.0
291.19525	100.0
292.19620	2.4
347.22177	2.6
365.23203	45.4
366.23438	1.1
535.32959	0.7
557.34625	1.8
575.35870	1.7
637.41296	2.5
655.41980	44.3
656.41815	2.7
727.63605	0.6
852.44580	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04992	3.7
61.02921	12.2
64.65014	0.5
65.03930	2.2
67.05499	100.0
69.03432	2.5
69.07059	9.1
69.64502	2.6
71.04986	4.1
73.02908	3.8
79.05486	24.8
81.03421	1.6
81.07051	40.8
81.35465	0.5
83.04983	1.4
83.08614	9.2
85.02894	16.4
85.06528	3.0
87.04470	0.7
89.06014	0.6
91.03956	8.3
91.05473	15.0
93.07034	27.8
95.04949	2.3
95.08598	31.0
96.04485	0.8
97.02886	8.8
97.06548	1.0
97.10148	2.6
99.04432	0.9
99.08064	1.2
101.02338	0.6
105.04520	0.6
105.07018	11.5
105.07674	1.0
107.08582	16.6
107.09286	1.0
109.02847	0.5
109.06492	1.0
109.10145	83.6
110.10484	1.4
111.08072	4.5
115.03918	0.6
117.07021	3.5
119.08575	11.1
121.06504	1.9
121.10138	13.7
123.11689	3.7
125.09615	1.0
127.03902	4.2
129.06943	0.5
131.08566	5.7
133.10147	5.9
135.11687	10.5
137.09604	3.7
137.13239	1.3
143.08586	0.6
145.04921	4.5
145.10104	4.0
147.11671	4.4
149.13240	5.1
149.95868	0.5
155.10663	4.1
159.11658	4.5
161.13242	3.4
163.06009	5.0
163.14809	2.2
173.11761	21.6
173.13264	4.2
175.14807	1.0
177.16357	1.6
184.07410	0.5
187.14839	3.0
189.11185	0.7
189.16391	0.5
227.12772	4.6
229.14336	90.9
230.14734	1.9
233.22658	1.0
243.21057	6.5
261.22119	22.8
262.22369	0.7
271.15445	1.0
317.24646	4.0
335.25766	78.5
336.26135	2.2
375.21677	1.4
378.21146	0.6
379.29648	0.8
397.30984	1.5
415.31903	0.8
444.36075	0.5
471.34686	1.7
489.35712	73.5
490.36130	3.9
507.36850	6.8
667.25763	0.5
808.70721	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	3.3
61.02919	10.3
65.03934	1.4
67.05499	91.2
68.05842	1.1
69.03407	2.6
69.07059	6.1
69.27896	5.1
69.28215	0.7
71.04986	3.2
71.08643	0.6
73.02917	3.5
73.06599	0.6
74.92024	0.4
75.41759	0.4
79.05486	16.4
79.23133	0.4
81.03435	1.1
81.07051	33.0
81.76753	0.5
83.04997	0.6
83.08609	6.6
85.02414	0.9
85.02901	13.0
85.06525	2.8
87.04475	0.7
89.05998	0.9
91.03952	9.0
91.05467	12.4
93.07040	22.4
95.04971	1.8
95.08599	24.6
95.95853	0.4
97.02882	7.5
97.06507	1.1
97.10180	2.4
99.04423	0.8
99.08078	0.8
103.03965	0.5
105.04507	0.4
105.07020	8.9
107.08587	15.9
109.02866	0.9
109.06498	1.2
109.10146	71.4
110.10491	1.0
111.08076	2.6
113.09624	0.6
115.03895	0.7
117.07028	2.4
119.08579	9.6
121.06530	0.5
121.10127	9.6
123.11678	3.5
125.09618	1.7
127.03916	3.3
127.11107	0.5
131.08569	5.3
133.08614	0.5
133.10121	4.9
135.11681	7.2
137.09610	3.8
137.13243	0.8
139.11168	0.6
145.04913	3.7
145.10109	3.9
147.11707	3.4
149.09561	0.6
149.13239	4.7
155.10669	4.0
159.11650	3.2
161.13274	2.9
163.06015	4.7
163.14821	3.1
171.11696	0.6
173.11752	21.3
173.13255	3.3
175.14804	1.0
177.16382	1.0
187.14821	1.2
189.11185	1.0
201.16440	0.8
227.12752	6.6
229.14333	100.0
230.14647	1.7
243.21046	5.4
259.20514	0.6
261.22119	17.9
263.23624	0.7
299.23608	0.7
317.24808	2.9
335.25775	67.0
336.26129	2.6
379.29834	0.7
397.31070	1.4
415.31955	1.6
471.34787	2.1
489.35727	46.2
490.35977	2.9
507.36929	5.0
848.51129	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	847.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	0.2
60.14005	0.1
62.30979	0.2
64.92273	0.1
69.03422	0.2
69.39075	0.7
69.39507	0.6
73.02916	0.3
73.06554	1.3
77.03914	0.4
78.95985	0.1
79.05488	4.4
79.05956	0.3
87.03913	0.2
87.04462	6.9
89.06025	36.1
91.05473	2.6
91.07569	0.3
92.79431	0.1
93.07050	0.7
95.04969	2.3
103.05457	4.1
103.06132	0.2
105.07023	100.0
106.07357	1.4
107.07080	1.1
113.06034	0.2
113.49916	0.1
116.06247	0.3
117.07010	0.6
117.09135	0.7
119.04948	0.4
119.08542	0.7
121.06498	5.0
128.06190	0.2
129.06976	1.0
130.07835	0.1
130.08658	0.9
131.07060	2.2
131.08565	5.5
131.39069	0.1
133.08594	23.9
133.10210	0.6
134.08910	0.2
135.10078	0.2
141.06969	0.2
145.06470	0.4
147.08012	2.3
149.09575	1.0
151.09608	0.2
157.96071	0.1
161.11632	0.2
163.11108	0.2
165.07088	0.3
165.09088	1.1
166.07790	0.4
169.10133	0.2
173.09631	0.4
175.09691	1.0
175.10954	0.1
177.11209	7.1
178.07837	0.2
179.08601	0.2
181.10155	0.4
191.10660	0.3
192.09364	0.2
193.12289	0.2
207.11722	0.2
209.09685	0.1
209.11687	0.5
209.13361	0.2
211.13391	0.2
219.12225	0.3
221.13803	1.2
223.11211	1.1
225.12723	7.5
226.12999	0.3
227.12796	0.4
239.14719	0.3
249.12721	0.4
251.14302	8.6
252.14690	0.3
253.15976	2.1
255.15871	0.2
267.13724	0.6
267.17444	0.2
269.12524	0.1
269.15335	3.0
271.15372	0.3
279.15921	0.2
295.16815	0.6
311.16541	0.5
313.17947	1.2
315.17969	0.3
327.17300	1.4
329.18964	7.7
330.19193	0.3
353.18808	0.4
355.19894	0.2
357.20486	0.3
359.20444	0.2
371.19852	0.5
373.21603	3.9
419.23941	0.2
463.26807	0.3
477.27875	1.4
507.29904	0.2
639.37079	0.7
847.48492	0.4
854.42291	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04985	0.4
67.05510	0.1
69.03413	0.2
69.27382	0.5
69.27807	0.9
73.02917	0.2
73.06557	1.1
77.02802	0.1
77.03931	0.4
79.05489	4.8
79.05957	0.2
81.03429	0.2
81.07079	0.1
81.54950	0.1
83.80521	0.1
87.04464	6.2
89.06025	36.0
90.06341	0.3
91.05470	2.7
91.07583	0.2
93.07053	0.6
95.04965	2.3
95.08609	0.2
95.62581	0.1
98.20684	0.2
98.77985	0.1
103.05462	4.7
105.07023	100.0
106.07362	1.4
107.04945	0.3
107.07065	1.7
113.06036	0.2
115.05437	0.1
116.06237	0.3
117.06996	0.4
117.09143	0.8
119.04929	0.4
119.08543	0.6
121.06502	4.8
121.44075	0.1
128.06143	0.2
129.07014	1.2
130.07961	0.1
130.08640	1.1
131.07071	1.9
131.08557	5.5
133.08592	24.0
133.10190	0.7
134.08952	0.2
135.08018	0.2
135.10156	0.2
141.06943	0.2
145.06477	0.3
147.06923	0.2
147.08038	2.3
149.09579	1.0
151.09593	0.2
155.08421	0.2
161.11739	0.2
163.11110	0.2
165.06990	0.4
165.09087	1.1
166.07753	0.3
173.09590	0.4
175.09691	1.0
175.11072	0.3
177.11208	7.2
178.07828	0.1
179.08530	0.3
181.10088	0.3
191.10620	0.4
192.09236	0.2
193.12291	0.2
209.11650	0.5
209.13383	0.2
211.13206	0.2
219.12210	0.1
221.09554	0.3
221.13876	0.8
222.10638	0.1
223.11177	1.2
225.12729	7.1
226.12962	0.2
227.12575	0.3
234.10252	0.1
235.13063	0.2
239.14662	0.3
249.12711	0.6
251.14288	9.2
252.14525	0.4
253.15955	2.1
267.13693	0.3
267.17703	0.2
269.15344	3.0
271.15341	0.4
283.17471	0.3
295.16843	0.5
297.59769	0.2
301.15979	0.1
311.16412	0.3
313.18024	1.0
315.17810	0.2
327.17319	1.5
329.18964	6.7
330.19284	0.3
337.45340	0.1
343.21432	0.1
353.18829	0.4
355.20407	0.2
371.19818	0.2
373.21606	2.9
419.24081	0.1
477.28156	1.0
491.27206	0.1
535.30713	0.2
639.36652	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03400	6.6
70.06593	60.2
71.04986	6.2
71.59963	7.8
72.08143	16.1
74.24261	5.5
83.06108	5.5
84.04487	17.8
84.08132	16.2
85.02899	15.1
86.09721	32.8
89.06042	6.0
95.06041	8.1
98.09721	5.1
102.05589	5.8
107.04929	18.8
109.85577	5.5
110.07130	24.3
116.53819	5.7
120.08102	13.0
129.10213	12.1
136.07582	13.1
203.79842	5.4
226.77332	5.0
299.05423	18.0
350.22626	9.0
359.23285	44.3
359.73602	5.9
393.09650	53.9
410.09488	5.6
619.20026	5.6
724.11676	5.8
789.43933	36.3
847.44464	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5026
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	4.7
67.05506	6.2
69.03423	3.3
69.07063	2.6
70.06589	1.0
71.20817	1.5
73.02921	3.7
78.20292	0.7
79.05500	4.4
81.03419	1.8
81.07062	6.4
83.05000	0.9
83.08621	0.8
85.02912	4.8
85.03364	0.8
87.04504	1.5
89.06039	1.0
91.03969	4.1
91.05482	3.2
93.07018	4.6
95.04987	2.3
95.08598	4.9
95.80053	0.8
97.02886	5.9
97.06540	1.0
101.02355	1.5
105.07001	4.0
107.08548	3.7
109.10190	1.9
119.08578	1.5
121.10120	2.3
127.03915	1.7
133.10103	1.6
135.11699	1.3
145.10130	1.0
145.85376	0.8
177.08463	0.8
179.06332	0.8
180.64519	0.8
199.13242	0.9
243.08502	2.1
246.56216	0.7
349.19858	7.4
519.29309	5.0
567.28033	2.9
634.48633	1.5
828.58514	1.3
844.65894	1.6
845.49921	100.0
846.50073	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	847.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02904	0.3
64.08994	0.1
64.38892	0.1
65.03926	0.1
65.18147	0.1
67.05485	0.3
69.03425	2.0
69.55762	1.0
70.06567	0.4
71.01321	0.3
71.04988	12.1
72.08128	0.1
73.02921	1.2
75.04487	0.7
81.03397	0.3
82.00380	0.1
83.04479	0.1
83.04972	3.0
84.44949	0.1
85.02898	16.4
87.04433	0.6
95.04932	0.5
97.02872	1.1
97.06501	0.2
98.21470	0.2
99.04449	0.6
107.01300	0.7
107.04923	0.6
109.02827	0.5
111.04428	2.2
113.05988	0.2
117.05475	0.5
121.02858	4.1
125.06023	0.1
127.03885	0.7
129.05478	4.4
133.06487	0.2
139.03767	0.2
141.01581	0.1
141.05464	0.1
145.04948	0.4
145.06439	0.3
147.04424	0.3
147.06490	1.2
149.02275	0.2
153.05414	0.5
157.06490	0.2
159.06491	0.2
163.05983	0.6
165.01808	0.6
169.06454	0.3
171.06519	0.2
173.06010	1.5
173.92693	0.1
183.02861	0.6
183.04381	0.3
183.06361	0.2
197.05975	0.5
201.05429	0.8
201.07394	0.3
213.07597	0.2
225.05458	0.3
229.04939	3.6
239.09146	0.6
243.06505	0.8
253.04977	0.3
257.04413	0.3
257.10107	0.3
271.05930	0.3
275.11243	0.3
287.05539	0.4
295.06036	0.2
299.05472	51.8
300.05862	0.8
311.05484	1.2
323.05490	0.4
325.07083	0.2
337.07123	0.5
341.06598	1.7
353.06787	0.2
363.08713	0.3
365.06509	0.4
391.08173	0.4
393.09641	100.0
394.10022	2.4
405.09888	0.2
409.09253	0.2
417.09860	0.3
433.11243	0.2
435.10626	1.2
459.04865	0.1
459.10355	0.6
503.13214	1.6
510.18942	0.2
521.14386	1.0
537.13654	0.4
539.15649	1.2
555.14661	0.9
847.40619	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	845.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	3.7
67.05511	4.2
69.03432	2.4
69.07073	3.0
69.63829	0.7
69.64236	2.1
70.06602	1.0
71.04999	0.7
71.08623	0.4
73.02905	3.0
75.23347	0.4
79.05494	5.1
81.03422	1.9
81.07056	5.3
83.04968	0.4
83.08623	0.7
85.02891	3.7
86.09717	0.8
87.04460	0.9
87.10056	0.5
89.06026	1.9
90.06413	0.4
91.03958	2.6
91.05479	4.4
91.05916	0.4
93.07034	6.3
95.04990	1.3
95.08603	2.8
97.02886	3.4
97.10194	0.7
99.04481	1.0
101.02390	1.6
103.03954	0.6
105.04527	0.4
105.07019	5.3
107.08589	2.8
109.02880	0.8
109.06563	0.9
109.10168	0.8
114.09198	0.4
117.07040	1.4
119.08607	2.6
121.06483	1.9
121.10158	1.8
125.09663	0.4
127.03944	1.3
127.27519	0.3
129.05490	0.5
129.07097	0.6
131.08601	1.3
133.08588	0.8
133.10132	1.8
135.11729	1.3
135.96725	0.4
143.08604	0.7
145.10146	0.8
147.11740	1.0
155.81190	0.4
159.11763	0.4
161.13318	0.7
184.07372	0.7
185.04271	1.2
191.82214	0.4
201.03807	0.4
203.05365	0.7
241.06862	0.5
243.08427	3.6
301.08881	1.8
313.09058	0.4
315.10507	0.7
333.20389	3.0
373.11124	0.9
373.23480	0.7
383.16898	0.5
384.38614	0.4
389.23132	0.5
429.17325	0.5
429.41321	0.6
439.19260	0.8
453.21021	0.5
465.21252	0.8
469.20288	0.4
525.23474	0.6
535.28790	7.6
541.22968	0.6
551.28278	6.9
551.36298	0.6
623.30591	1.1
844.66479	2.4
845.50183	100.0
846.50293	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	845.5009
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	4.0
61.80088	0.6
67.05499	6.2
69.03432	3.2
69.07056	5.1
70.04080	3.4
71.04979	0.7
73.02917	3.7
79.05489	5.9
81.03416	2.4
81.07042	5.7
83.04974	0.5
83.08611	3.1
85.02895	5.1
86.09699	0.9
87.04470	1.5
89.06020	1.3
91.03957	2.5
91.05474	5.6
91.42624	0.5
93.07037	7.2
95.05005	1.2
95.08594	3.7
97.02874	4.6
97.10165	1.8
99.04478	0.8
101.02383	1.3
103.05463	0.7
105.07026	5.5
107.04956	0.6
107.08603	2.8
109.06537	0.6
109.10175	1.6
110.03562	1.5
113.00039	1.9
117.07047	1.5
119.08566	3.3
121.10183	1.9
123.93772	0.6
125.00044	0.8
127.03895	1.5
131.08575	1.7
133.10130	2.5
135.11707	1.8
142.26801	0.6
143.08582	0.9
145.10129	1.1
147.11650	1.3
149.13319	0.6
157.10190	0.7
159.11752	1.0
169.02640	1.6
177.11189	0.6
184.07324	3.5
185.04201	0.7
235.13115	1.6
243.08405	4.1
254.34218	0.5
293.53049	0.6
298.87448	0.6
301.09027	2.0
311.25677	5.6
333.20462	2.6
353.53720	0.6
357.15424	0.7
373.10928	0.8
435.21518	1.0
439.19424	0.8
456.06378	0.7
465.21213	1.3
535.28766	5.9
551.28217	7.6
623.30597	1.0
675.82495	0.6
759.42676	0.7
776.26459	1.3
776.41290	0.6
845.50061	100.0
846.50409	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	844.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	7.4
65.03933	1.9
67.05499	23.4
68.05026	3.0
69.03423	13.4
69.07064	9.4
70.02918	3.6
70.04065	0.8
70.06584	9.5
71.04987	3.5
72.04509	1.6
72.08142	0.7
73.02914	4.2
79.05485	25.7
79.23797	0.7
80.05016	3.1
80.26023	0.6
81.03413	18.0
81.07049	27.2
81.87659	0.6
82.06568	2.6
83.04974	5.1
83.08619	6.4
84.04494	7.9
84.08141	3.3
84.84225	0.6
85.02901	9.0
85.06541	1.5
86.06061	46.1
86.09688	0.7
87.04462	22.7
91.03962	3.2
91.05470	26.8
92.05797	0.6
93.07034	28.2
94.06558	3.1
95.04964	9.8
95.08594	17.4
96.04449	0.8
96.08134	2.3
97.02888	6.0
97.06524	7.5
97.10156	2.5
98.06046	51.6
99.04478	1.1
101.02368	1.2
102.05540	2.6
103.05454	0.6
104.07100	22.1
105.04488	0.8
105.07018	26.2
107.04929	3.8
107.08581	13.8
109.02886	0.8
109.06516	2.7
109.10154	6.3
110.06067	0.9
110.09680	1.1
111.04472	1.0
111.08091	2.9
112.07594	14.7
115.05450	0.9
117.06998	8.5
119.08566	19.1
120.08142	1.2
121.06513	1.9
121.10134	12.9
123.08067	2.1
123.11707	1.7
124.07586	5.2
125.09627	1.4
126.05516	9.0
126.09180	2.4
127.03894	1.1
128.06245	0.9
128.07086	1.5
129.06976	4.9
131.08557	13.2
133.06453	1.0
133.10123	13.0
135.08049	1.6
135.11697	4.2
136.07587	1.5
137.09596	1.6
138.05493	0.7
138.09158	1.8
138.12793	2.7
139.11186	1.6
140.07051	3.9
142.07729	0.8
142.08655	4.4
143.08559	2.4
145.10136	6.8
147.08080	1.3
147.11659	10.9
148.07564	3.2
149.09602	32.9
149.13280	2.7
151.11180	1.8
152.07092	0.8
154.08612	3.3
157.10149	5.4
158.08119	8.0
159.11696	4.0
161.13225	4.4
163.11203	1.6
165.12778	1.3
166.08562	0.8
166.12244	3.2
167.10684	1.7
169.10196	0.9
171.11696	2.8
173.13319	2.7
175.11189	3.4
175.14777	1.5
177.12766	2.2
182.15393	1.7
184.13356	3.6
185.13261	1.7
187.14839	0.9
192.13879	1.1
193.12213	6.7
194.15382	0.8
195.13889	1.0
199.14912	1.0
206.15443	4.3
210.14888	7.8
211.13344	2.4
212.16518	1.2
217.15894	0.8
223.13297	0.7
224.16418	5.8
227.12758	1.1
234.14920	3.1
236.16382	1.0
241.19408	3.4
250.14409	1.5
250.18008	3.4
252.15910	17.5
259.20551	11.1
259.23050	1.1
260.16492	4.4
267.15875	13.3
268.19189	2.1
270.17096	2.5
276.16058	0.8
278.17502	10.9
285.16956	0.8
291.19641	2.8
296.18588	5.3
302.19608	0.9
314.19650	2.2
315.23306	0.8
326.19711	2.2
328.21191	0.6
333.24191	11.0
344.20541	3.7
344.51013	0.6
352.21112	1.3
362.21591	3.0
365.23370	1.7
370.22220	3.5
388.23300	5.9
421.25720	0.7
433.31299	0.8
451.31946	1.1
489.03873	0.6
525.35529	2.5
543.36707	15.5
557.34515	2.3
567.36731	0.7
584.39288	1.0
602.40314	4.1
614.64020	0.7
620.41504	43.4
621.41632	1.5
628.42169	4.5
638.39923	0.9
646.43079	100.0
647.43280	2.4
664.44586	3.7
764.45380	1.9
782.46771	11.1
790.47845	1.3
808.48328	62.3
809.49030	1.8
826.49420	4.9
844.52905	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	844.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	8.4
67.05502	18.5
69.03425	30.0
69.07058	7.0
70.06583	20.0
71.59791	2.8
72.04511	5.7
79.05495	20.4
81.03395	5.9
81.07059	25.4
82.06558	6.6
83.05005	4.7
83.08611	3.2
84.04482	5.0
84.08118	9.9
84.30095	3.0
85.02878	7.8
86.05575	3.7
86.06063	42.3
86.09686	16.1
87.04469	39.8
91.03925	4.3
91.05477	18.4
93.07029	20.5
95.04926	9.1
95.08614	21.1
95.09127	4.1
97.02879	7.4
97.06513	3.7
98.06044	62.6
104.07076	6.4
105.07001	12.5
107.04936	4.6
107.08571	9.6
109.02867	3.6
109.10148	8.1
112.07597	49.7
114.41531	3.0
116.07085	9.9
119.08578	9.0
121.10132	10.6
124.07564	7.6
124.99962	9.6
126.05515	35.9
130.08632	16.7
130.12273	8.4
131.15408	3.2
133.10144	7.2
138.05467	6.5
140.07004	10.5
142.08641	5.4
144.06564	16.6
145.10173	5.4
147.08066	4.2
147.11595	4.4
149.09598	17.5
158.08131	43.8
163.11143	10.4
184.07338	40.1
188.09155	12.7
196.13205	3.7
220.06177	3.5
237.08917	3.3
252.15997	18.2
270.16840	3.7
276.15643	3.6
294.17099	7.9
328.20926	3.5
335.25797	9.5
346.12976	3.4
540.06012	3.5
549.35956	3.5
577.60461	3.7
592.41626	4.0
620.41162	9.6
621.41638	3.8
638.42578	17.6
664.43616	15.6
682.45300	100.0
800.47461	8.4
844.50269	52.3
845.50513	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	843.4862
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	4.7
67.05497	13.0
68.05807	1.7
69.03410	4.7
69.07057	4.5
70.06586	10.7
71.05003	1.6
71.08626	1.9
72.08124	2.2
73.02885	3.9
79.05488	9.6
81.03384	3.1
81.07059	12.8
82.27271	1.0
83.08611	3.6
84.08136	2.4
85.02885	4.9
86.09692	4.9
87.04449	1.3
89.06016	4.7
91.03942	2.6
91.05479	8.8
93.07043	13.0
94.07385	1.6
95.04939	2.8
95.08613	6.2
97.02885	4.5
97.10169	2.9
98.21523	2.7
99.04454	1.1
105.07025	8.8
107.04964	1.4
107.08571	6.2
109.02834	1.4
109.10123	4.3
114.09145	3.2
117.06966	2.0
119.08573	5.8
121.10128	3.4
123.11660	2.0
124.00634	1.2
125.09572	1.3
131.08565	2.7
133.10124	3.0
135.11665	1.6
136.37979	1.1
143.08443	1.0
145.10143	2.6
147.11662	3.4
149.13269	1.8
154.60298	1.3
157.09962	1.6
159.11601	2.1
161.09581	1.2
163.14873	1.1
164.72578	1.0
166.54115	1.0
169.10094	1.1
171.11606	1.6
184.05688	1.0
184.07310	2.6
185.04092	1.3
229.14168	1.7
233.53156	1.6
243.08487	3.4
261.22137	1.2
269.17667	2.7
275.20114	1.3
276.20401	1.8
291.19574	1.7
295.45605	1.1
296.33099	5.3
297.33524	1.6
301.09018	2.4
324.36166	2.6
325.36523	1.7
331.18863	1.8
335.25711	5.9
336.26083	5.8
340.35568	1.5
425.99536	1.2
428.41235	2.2
472.43066	1.7
473.43771	1.9
516.46100	1.9
517.46545	1.7
529.38562	2.9
530.39142	4.8
535.28516	5.0
549.26685	7.4
560.48657	3.7
604.51385	2.1
605.51831	2.5
610.45117	2.2
616.04303	1.3
621.28955	1.8
628.46326	1.5
648.54065	1.8
649.54297	1.7
842.65729	20.3
843.47845	100.0
843.65045	41.4
844.48492	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	841.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
64.13182	0.3
67.05496	1.3
70.27755	1.5
79.05481	1.2
81.07056	1.2
91.05501	1.1
93.07039	0.8
95.08607	0.8
96.01499	0.4
97.10165	0.4
98.20813	0.6
105.07022	2.1
107.08563	0.5
109.10135	0.7
117.07026	0.4
181.01332	0.5
200.70518	0.4
210.05270	0.4
217.82758	0.4
247.05170	0.4
288.71582	0.4
495.32755	0.4
841.42743	100.0
842.43030	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	842.6551
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	0.8
68.05021	0.9
69.03428	0.3
69.07039	0.6
70.06587	20.9
71.04975	0.2
71.08628	2.2
72.08147	5.7
72.08531	0.4
73.02912	0.8
73.06553	0.3
76.91669	0.2
79.05493	0.5
81.03398	0.2
81.07062	0.8
81.91457	0.2
82.06556	0.3
83.08617	0.4
84.08136	7.9
85.10184	0.9
86.06069	0.4
86.09697	9.4
87.04456	0.9
88.07630	2.6
89.06022	7.6
89.06549	0.4
91.05502	0.8
92.80442	0.2
93.07036	0.7
95.04989	0.3
95.08605	0.4
96.08126	0.3
96.08929	0.3
100.07622	0.6
102.09185	1.1
105.07048	0.8
105.33255	0.3
107.08607	0.3
109.10162	0.3
112.07547	0.3
113.00835	0.3
114.09158	9.5
116.10712	0.2
127.29570	0.2
131.08553	0.3
132.10255	0.5
133.08630	0.7
133.10121	0.4
145.10139	0.4
146.11766	0.4
147.11658	0.2
157.46211	0.3
176.12924	0.4
184.07434	0.3
190.14398	0.5
202.14371	0.3
220.15526	0.8
234.17099	0.7
264.18112	0.9
278.19724	0.6
296.33109	3.8
308.20773	0.3
310.34705	0.6
316.40753	0.3
322.22458	0.3
322.34637	7.5
324.36243	8.2
324.39932	0.5
325.36798	0.3
338.34229	0.3
340.35715	4.9
340.39850	0.3
352.23462	0.3
366.37576	0.3
384.38193	2.5
410.27850	0.5
416.41382	0.3
428.41068	2.7
472.43655	6.7
516.46191	10.0
560.48804	5.6
604.51392	5.6
648.54163	6.4
692.56940	2.3
736.59857	0.3
824.64532	0.3
842.65533	100.0
843.65582	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04979	2.6
61.02913	6.3
65.03935	7.0
67.05499	100.0
67.96837	1.8
68.23367	1.9
69.03429	11.0
69.07064	39.9
71.04975	6.8
71.59586	3.1
77.03954	2.1
79.05487	88.8
81.03413	8.9
81.07049	97.7
82.06493	2.2
83.04979	12.0
83.08620	27.7
84.33712	2.5
85.02885	8.9
85.06532	4.5
89.06065	2.2
91.03946	3.9
91.05475	95.8
93.07038	94.2
95.04962	23.1
95.08599	63.1
97.02867	6.0
97.06534	14.1
97.10162	10.5
99.08077	6.2
103.05446	4.6
105.04504	2.5
105.07023	93.9
107.04948	7.7
107.08585	60.3
109.06538	10.1
109.10147	27.4
111.04448	2.0
111.08073	6.2
115.05473	5.4
117.07007	39.2
119.08576	77.5
121.06509	7.2
121.10134	37.4
123.08052	5.1
123.11668	7.5
125.09612	6.4
128.06216	4.1
129.06993	23.3
130.07764	3.8
131.08563	54.0
133.06491	3.6
133.10118	60.6
135.08028	9.4
135.11685	29.8
137.09631	6.4
139.11119	2.3
141.06955	9.7
142.07697	5.1
143.08563	25.6
145.06494	2.7
145.10109	41.1
147.08054	4.0
147.11681	39.3
149.09654	9.8
149.13252	17.2
151.11227	3.1
154.07787	3.5
155.08527	13.0
156.09317	2.6
157.10124	25.5
159.11693	36.7
161.09647	4.1
161.13240	22.2
163.11185	8.6
163.14784	5.0
165.06909	2.6
167.08557	7.4
169.10092	16.3
171.08041	2.1
171.11674	24.1
173.09583	3.4
173.13240	23.4
175.11208	3.1
175.14812	8.3
177.12761	3.0
181.10103	8.3
183.11684	18.4
184.07320	8.6
185.13261	18.5
187.14833	7.8
189.11194	3.7
189.16301	3.0
193.10129	5.0
195.11687	10.2
195.13812	5.0
197.13234	14.6
199.14803	8.3
201.16376	4.5
203.14326	4.6
209.13200	7.6
211.14789	6.1
213.16365	5.3
215.17921	2.6
221.13315	4.3
223.14810	4.9
223.93098	2.6
227.12662	2.6
227.18077	2.8
231.17337	2.4
231.21121	3.2
235.14893	3.7
235.17055	3.4
237.16374	5.2
239.17963	6.0
241.19547	15.3
253.14290	3.3
255.15822	10.5
257.18890	10.6
259.20557	43.8
261.21973	3.7
267.15872	3.2
269.17453	13.5
273.18640	4.4
275.20151	22.3
277.21555	5.1
283.20285	2.7
285.21973	2.5
291.19550	3.6
297.22079	2.5
301.22012	2.8
313.21619	3.4
315.23206	7.2
325.21463	2.6
331.22568	2.5
333.24252	45.4
335.25958	4.9
337.25177	3.2
341.24600	3.7
349.23895	16.5
353.24396	2.6
367.25107	6.3
435.32721	3.5
439.32077	3.6
453.33841	3.7
513.35736	21.3
515.38190	5.9
523.34802	2.5
527.37311	28.6
531.37073	4.3
533.39386	3.9
545.38397	3.1
553.39209	5.6
567.40063	4.9
607.43604	38.9
625.44550	36.7
822.35938	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	840.5456
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	3.2
61.37728	2.2
61.61143	2.3
63.48034	2.5
65.03929	5.4
67.05497	89.6
69.03427	9.1
69.07056	37.1
70.13053	11.9
71.04982	7.0
73.02930	3.5
79.05483	92.1
81.03419	15.2
81.07048	93.0
83.04967	10.9
83.08613	23.2
83.44807	2.3
85.02890	7.1
85.06542	4.4
87.04456	3.3
89.06030	6.4
91.05470	100.0
93.07032	92.5
95.04973	17.6
95.08595	60.4
97.02889	5.2
97.06512	13.3
97.10159	11.5
99.08080	6.5
103.05476	3.8
105.07019	90.9
107.04961	11.3
107.08582	54.0
109.06502	8.4
109.10146	20.8
111.08063	8.0
113.05992	2.4
115.05434	7.4
117.07008	33.1
119.08570	59.1
121.06486	7.0
121.10139	34.7
123.08054	7.2
123.11708	6.2
125.09597	7.1
127.03869	5.9
128.06233	4.6
129.05432	2.8
129.06987	21.7
131.08560	37.9
131.22714	2.9
133.06512	4.1
133.08583	4.5
133.10124	46.1
135.08099	5.7
135.11691	28.6
137.09552	3.5
141.06998	5.7
142.07732	5.1
143.08527	22.3
145.06468	2.9
145.10114	41.2
147.08037	4.3
147.11659	38.7
149.09576	11.3
149.13251	19.7
151.11101	2.4
155.08562	11.8
157.10068	19.4
159.08035	3.3
159.11691	32.0
161.09605	3.8
161.13246	20.3
163.11171	10.2
163.14793	3.3
165.12791	3.8
167.08546	4.4
169.10107	13.4
171.11705	20.8
173.13251	18.5
175.11195	4.6
175.14819	8.2
177.12775	4.7
180.09413	2.3
181.10127	7.5
183.11661	13.6
185.13266	14.6
187.11116	4.3
187.14824	6.7
189.12805	4.9
193.10179	4.7
195.11656	8.1
195.13722	4.0
197.13223	10.3
199.14838	7.2
201.16397	4.0
207.11676	3.7
209.13295	8.2
211.14784	6.4
213.16412	6.6
215.17888	2.2
217.39896	2.3
221.13248	5.3
223.14771	4.3
225.16452	2.8
229.14307	3.6
229.19585	3.8
231.21019	3.1
239.17992	4.6
241.19408	18.1
243.21080	3.2
255.15747	13.4
257.18948	6.6
259.20566	48.6
261.22211	3.8
267.15988	3.0
269.17389	17.8
275.19980	20.3
291.19528	4.1
296.62949	2.3
297.22061	2.8
301.55902	2.2
315.23190	8.9
323.23712	3.1
333.24258	43.2
335.25784	3.0
349.23834	11.8
367.24704	4.8
415.28580	2.7
421.31088	4.3
435.32553	7.2
453.33539	4.9
471.34506	4.7
501.36014	3.0
509.36279	2.5
513.35638	24.7
515.38306	5.7
527.37341	46.7
531.36841	3.6
533.39880	6.6
545.38391	3.7
551.40887	3.4
607.43463	30.3
625.44586	23.9
643.44788	3.6
840.62506	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	838.5304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04981	2.1
61.75121	2.2
65.03919	4.3
66.23282	1.9
67.05500	53.7
69.03419	12.5
69.07066	37.1
71.04980	4.8
71.20139	5.1
73.02940	2.2
73.80440	1.9
79.05488	57.5
81.03410	8.3
81.07053	45.5
83.04973	6.1
83.08611	18.0
85.02884	2.4
85.06521	3.2
87.04462	4.9
89.06004	5.7
91.05473	58.8
93.07037	49.5
95.01324	2.1
95.04979	12.9
95.08599	30.6
97.02875	6.5
97.06519	7.1
97.10160	17.3
99.08096	2.9
105.07022	65.0
107.04933	8.6
107.08582	38.0
109.06500	6.3
109.10149	17.6
111.08080	4.7
115.05443	2.6
117.07018	22.3
119.07779	3.5
119.08575	45.3
121.06494	6.6
121.10146	21.3
123.04458	2.1
123.08066	5.0
123.11660	2.3
125.09617	18.7
128.06229	2.9
129.06995	16.1
131.08551	24.1
133.06505	3.0
133.10130	32.8
135.08081	5.2
135.11685	8.4
137.09587	4.3
139.11151	1.9
141.06943	3.5
142.07762	3.9
143.08534	11.1
145.10107	19.8
147.08041	6.3
147.11673	28.8
149.09576	4.7
149.13261	8.3
155.08560	5.2
157.10124	10.5
159.11688	19.9
161.09633	2.9
161.13242	17.3
163.11220	3.0
169.10097	6.7
171.10321	2.7
171.11649	12.3
173.13217	10.7
175.11139	3.6
175.14833	9.9
181.10031	3.3
183.11691	5.0
185.13229	11.8
187.14764	4.9
189.11253	12.1
197.13268	5.8
199.14799	5.5
209.13197	3.4
213.16484	2.9
223.13271	20.1
224.95778	1.9
227.12781	12.5
231.21149	4.6
239.18045	3.7
241.19453	19.0
245.18925	2.1
249.14871	3.0
257.18997	2.3
259.20541	43.6
267.16077	2.4
273.18408	12.8
275.20001	5.7
289.18048	2.4
291.19519	100.0
292.19638	2.6
297.22226	2.5
299.23602	2.7
304.89932	2.1
315.23132	8.9
333.24191	55.8
335.25754	3.6
349.23831	3.5
365.23224	39.8
379.30066	3.1
381.22180	2.3
525.35754	8.6
529.34961	3.2
543.36633	7.5
605.41608	7.8
623.42999	50.4
624.42889	3.4
641.43964	8.9
837.92438	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	833.4707
Annotation	Unknow
Peak:m/z	Relative Intensity
65.90581	0.2
67.48119	0.2
70.06598	0.7
75.18649	0.2
78.47367	0.1
79.05502	0.2
83.01112	0.2
84.08182	0.2
86.09666	0.2
88.80082	0.2
98.20668	0.3
103.57631	0.2
105.69045	0.2
107.04997	0.4
110.07213	0.3
111.04196	0.2
127.03665	0.3
140.17610	0.2
265.09030	0.3
280.14267	0.2
579.34882	0.2
648.02435	0.2
833.47101	100.0
834.47424	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	836.5085
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03088	0.6
69.41009	3.5
69.41438	2.5
79.05479	5.6
80.51260	0.6
87.04444	3.9
89.06023	15.8
91.05465	3.1
95.04944	1.7
103.05463	4.4
105.07024	100.0
117.07031	1.5
119.08598	0.8
121.06496	4.2
129.07065	0.9
131.00604	0.7
131.07042	1.7
131.08559	8.8
133.08600	13.6
147.08037	1.6
165.09216	1.5
167.08615	0.8
175.09650	1.1
177.11230	5.0
178.07915	1.0
181.10110	1.0
194.10892	2.3
209.11479	1.6
209.13271	18.8
221.13846	0.9
225.12756	2.3
235.14880	0.8
269.15430	2.0
288.98056	0.7
313.18030	1.0
315.17877	0.8
320.53287	0.8
373.21756	1.2
403.23120	3.5
427.92798	0.7
433.25162	1.5
477.27856	1.0
507.29486	7.5
611.35114	1.3
799.03156	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04980	1.2
65.03915	0.6
65.28184	0.4
67.05500	1.8
69.03413	1.3
69.07068	2.9
70.72559	0.4
71.08624	34.1
71.59612	0.7
73.02917	2.3
73.06542	3.4
79.05487	2.2
81.07057	1.3
83.08616	1.2
85.10175	18.4
87.04462	40.3
89.06022	100.0
91.05473	12.8
91.07602	0.7
93.07044	5.7
95.04971	3.4
95.08587	1.4
97.02813	0.5
103.05441	2.3
105.07036	5.8
107.04955	3.4
107.07056	5.0
107.08590	3.1
109.06553	0.9
109.10134	0.7
110.37486	0.5
113.05975	0.6
117.07028	2.2
117.09108	2.9
119.04958	3.1
119.08562	6.0
121.06496	19.1
121.10144	1.8
123.08055	1.0
127.14863	0.7
129.07031	0.9
130.08618	3.2
131.07030	10.1
131.08559	1.8
133.06497	1.7
133.08589	56.4
135.08044	4.4
135.11714	1.5
136.05174	0.9
145.06531	0.8
145.10080	2.4
147.08043	9.3
147.11676	0.8
149.09595	6.6
149.13213	1.0
150.06749	2.0
159.11734	1.5
161.09651	1.3
163.07578	0.5
163.11171	3.2
164.08382	0.8
165.09084	5.2
167.10672	1.4
173.09662	1.5
175.09657	4.9
175.11154	1.1
177.09663	0.8
177.11224	13.2
177.12747	1.2
179.10555	0.6
181.22694	0.5
189.12712	0.5
191.10620	3.2
193.10811	0.5
193.12257	2.7
209.11737	2.0
211.13268	2.7
219.12300	1.0
221.13785	1.6
235.13248	1.6
239.14842	0.8
245.19122	0.5
247.20554	16.6
255.15987	1.2
261.22119	1.4
265.16586	0.6
273.22083	3.3
289.21939	0.6
289.25241	1.4
291.23160	20.2
299.18524	0.6
317.24832	2.1
333.24390	0.7
335.25833	2.0
837.59650	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	832.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04491	0.6
61.02877	1.5
67.05438	0.5
68.99757	0.8
69.03421	9.5
69.66531	0.4
69.73019	2.6
70.06586	19.2
71.01321	0.5
71.04964	1.1
72.08160	2.7
73.02867	1.9
74.06039	0.5
79.05444	1.2
81.03408	11.2
81.03849	0.4
81.07000	0.5
83.06087	0.5
84.04449	1.7
84.08119	2.2
85.02898	9.2
86.09716	2.1
87.00824	5.3
87.03893	0.4
87.04435	0.5
91.03919	0.7
91.05412	0.9
95.04903	2.0
95.06039	1.2
97.02377	0.5
97.02875	4.3
98.06046	0.5
98.21451	0.9
99.04462	2.8
102.05462	0.8
105.01853	2.2
105.07003	0.7
107.04945	22.2
107.29377	0.6
108.05221	0.5
108.08031	0.5
109.02245	0.6
109.02871	7.1
110.07150	3.4
112.08647	0.8
115.08666	0.7
116.07053	0.8
116.30863	0.4
117.01804	0.9
119.04879	0.7
120.08049	1.0
121.02818	1.2
121.06442	1.6
123.04395	0.9
127.03907	7.9
129.01721	1.3
129.10181	1.2
133.06386	0.5
136.07570	3.4
137.02335	16.1
137.03381	1.0
137.05852	0.5
143.85802	0.4
145.04892	1.3
147.04326	0.6
149.02174	0.5
151.03809	0.5
152.07063	0.5
159.02878	2.8
161.05908	1.3
163.03860	0.6
164.07028	0.5
166.12024	0.4
175.03801	0.6
181.06445	0.6
183.04305	0.4
187.03806	0.6
187.06021	1.0
189.05521	0.9
193.61528	0.5
195.02834	0.9
199.03830	0.6
205.04895	0.7
213.12280	1.6
217.04942	7.7
219.08101	0.6
225.05370	0.7
231.04825	0.6
235.05896	2.4
237.05400	0.5
237.08922	1.0
247.07544	0.7
250.06178	0.5
251.06863	0.6
255.10342	0.5
265.08621	2.7
267.06271	0.5
271.05847	0.5
272.12906	0.8
283.09628	1.4
293.08005	2.4
299.05548	0.8
309.07541	1.0
311.05423	1.2
311.09085	2.2
315.04916	6.1
321.07532	2.2
325.06845	2.2
327.04990	25.3
327.08475	2.1
329.06458	2.5
337.07007	3.8
339.04987	0.9
339.08658	3.1
340.05823	0.6
341.06564	5.0
343.07953	1.0
349.07022	7.5
352.05771	1.2
353.06677	0.7
354.06332	0.4
354.09665	18.6
355.08075	32.6
356.08655	0.8
366.09659	7.6
367.08081	96.3
368.08298	2.5
372.10764	10.2
384.10687	4.4
409.09189	5.7
421.08966	3.2
423.10974	0.7
435.10666	1.0
443.11270	1.3
449.12256	2.5
460.13904	3.3
461.12259	22.2
462.12231	0.7
478.14929	100.0
479.15204	2.1
515.13312	5.1
536.20288	0.8
558.15430	0.8
602.14752	0.8
620.16711	1.1
682.21307	4.6
726.20148	48.4
727.20343	1.6
780.26605	0.5
832.42993	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	831.4874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	0.6
64.78201	0.2
65.03935	0.2
69.03394	0.3
71.04989	0.3
73.02899	1.0
73.06541	3.0
77.03921	0.8
78.04672	0.2
78.78850	0.2
79.05480	5.6
82.03056	0.2
87.03918	0.6
87.04455	12.1
89.06018	71.7
90.06368	0.5
91.05469	11.6
91.07600	0.5
92.05854	0.3
93.07042	2.0
95.04965	3.7
103.05450	7.2
105.07014	100.0
106.07359	1.7
107.04942	1.9
107.07055	2.5
113.05997	0.6
115.05427	0.6
116.06235	0.7
117.06995	1.3
117.09136	1.9
119.04912	1.3
119.08556	5.2
121.06487	16.0
122.06880	0.3
128.06190	1.3
129.06975	3.9
130.08586	1.4
131.07048	3.8
131.08546	10.9
132.05656	1.2
133.08583	45.1
133.10178	1.6
135.08023	1.0
135.10101	0.4
145.06503	1.2
147.08023	44.7
148.08363	0.8
149.09595	11.0
151.09705	0.3
155.06020	0.3
161.11757	0.4
163.07498	0.5
163.11137	0.7
165.07047	0.4
165.09070	1.3
173.09601	1.0
175.09651	2.5
175.11035	0.4
177.11194	12.0
178.07794	0.3
179.08524	0.4
181.10101	2.0
184.07298	0.4
189.09108	0.3
191.10641	0.8
192.09294	0.4
193.10263	0.4
193.12224	0.8
194.07138	0.3
205.10072	0.2
207.11678	0.5
208.08730	0.6
209.09692	0.5
209.11580	0.6
221.13756	1.0
222.10303	0.5
223.11133	2.5
224.11485	0.2
225.12708	28.3
226.13005	0.8
227.12769	0.4
229.55823	0.2
235.14987	0.3
237.12636	0.6
249.12704	4.6
251.14304	4.3
253.14276	0.4
255.15910	0.4
265.16339	0.3
267.13724	0.7
269.15329	3.4
271.15247	0.3
283.17188	0.3
295.16916	0.5
302.37521	0.2
311.16318	0.8
313.17865	0.5
315.17966	0.3
327.17267	0.9
329.18927	0.7
334.23624	0.3
335.24045	0.3
341.19809	0.3
359.20749	0.2
373.21609	5.0
831.51880	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70041	0.2
59.04988	0.4
62.43060	0.2
65.03938	0.2
67.05499	0.2
68.69950	0.2
69.03413	0.4
69.05879	0.2
71.60316	0.2
72.08160	0.2
73.02905	1.1
73.06551	2.8
76.51770	0.2
77.03932	0.6
77.07486	0.2
79.05482	6.8
81.03407	0.2
83.08605	0.2
87.03904	0.4
87.04460	11.4
89.06023	60.7
90.06369	0.6
91.05472	13.0
91.07596	0.3
93.07034	1.9
95.04958	3.4
103.05465	8.2
105.07021	100.0
106.07353	1.2
107.04943	2.8
107.07058	2.3
107.08622	0.2
113.06000	0.3
115.05442	0.6
115.07549	0.3
116.06226	0.8
117.07023	2.0
117.09132	1.5
118.06559	0.2
119.04937	1.6
119.08572	6.5
121.06496	15.7
128.06204	1.7
129.06990	4.6
130.08626	1.6
131.04913	0.2
131.07066	3.1
131.08553	8.8
132.05678	1.3
133.06470	0.8
133.08592	34.3
133.10191	1.2
134.08943	0.3
135.08066	1.0
143.08583	0.3
145.06476	1.5
147.08032	43.7
148.08412	0.6
149.09608	10.1
151.09637	0.3
153.07045	0.2
161.11673	0.2
162.09013	0.3
163.07562	0.3
163.11165	0.7
165.06992	0.3
165.09085	1.1
166.07788	0.6
171.08099	0.3
173.09601	1.0
175.09654	1.6
175.11108	0.3
177.11209	8.4
178.07756	0.3
179.08496	0.6
181.10097	2.2
188.92432	0.3
190.12303	0.3
191.10701	0.6
192.09248	0.4
193.10211	0.4
193.12276	0.5
194.07452	0.2
205.18938	0.2
207.11717	0.4
208.08862	0.8
209.09621	0.3
209.11580	0.4
219.12236	0.4
221.09818	0.2
221.13800	0.8
222.10338	0.5
223.11159	2.3
225.12721	21.5
226.13060	0.5
227.12756	0.3
234.10367	0.2
236.11896	0.3
237.12717	0.3
239.14888	0.2
249.12740	4.0
251.14319	3.2
255.15808	0.3
267.13742	0.6
269.15326	2.3
271.15430	0.3
272.20013	0.3
277.15921	0.2
283.17514	0.2
295.16925	0.5
299.18585	0.2
311.16397	0.7
313.17871	0.6
327.17303	0.5
329.19022	0.3
334.23660	0.8
335.24149	0.5
357.36166	0.2
373.21573	3.0
831.53064	1.0
863.06610	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.54626	0.3
65.03931	0.3
69.07071	0.3
71.04958	0.3
71.59885	0.4
73.02909	0.3
73.06560	1.5
77.03896	0.3
79.05486	4.4
87.04463	7.9
89.06023	35.6
91.05469	4.2
91.07605	0.3
93.07044	1.0
95.04974	2.3
97.47993	0.2
101.54549	0.2
103.05450	4.3
105.07021	100.0
106.07364	1.2
107.07059	1.9
107.08541	0.3
115.05495	0.3
116.06213	0.3
117.07013	0.7
117.09162	1.2
119.04962	0.7
119.08593	1.1
121.06493	7.7
129.06996	1.2
130.08585	1.6
131.07054	1.7
131.08562	5.7
133.08594	22.1
133.10191	0.7
135.08035	0.3
145.06473	0.6
147.08034	3.7
149.09613	1.6
163.11197	0.3
165.06975	0.5
165.09045	1.2
166.07765	0.7
169.10132	0.4
175.09712	1.2
175.11070	0.4
177.11217	5.1
179.08527	0.4
191.10669	0.5
191.51936	0.3
193.12241	0.6
207.46298	0.2
209.11668	0.5
219.12242	0.3
221.13757	0.6
223.11214	1.2
225.12730	12.7
249.12733	0.2
251.14281	2.1
267.13663	0.4
269.15359	3.5
271.15231	0.3
283.17404	0.4
295.16888	0.6
301.15524	0.3
311.16357	0.5
313.17807	1.0
327.17389	0.9
357.09290	0.3
373.21664	4.2
374.21951	0.3
444.19437	0.3
595.39270	0.3
831.47717	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4861
Annotation	Unknow
Peak:m/z	Relative Intensity
65.68324	0.3
69.03432	0.3
71.59009	0.5
75.23522	0.3
79.05498	0.4
86.09689	0.6
105.07032	1.5
107.08549	0.3
125.00030	0.4
184.07297	2.5
287.20444	0.3
335.24341	0.3
396.79608	0.3
523.23798	0.5
698.75677	0.4
742.14484	0.3
831.48553	100.0
832.48914	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	831.4874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04983	0.3
67.05494	0.3
71.60454	0.4
73.02924	0.6
73.06554	2.0
75.04906	0.3
77.03912	0.4
79.05484	5.0
84.74681	0.3
87.04460	8.7
89.06022	37.9
91.05466	3.9
93.07058	1.3
95.04973	2.2
100.01370	0.3
103.05457	4.6
105.07017	100.0
106.07354	1.1
107.04950	0.7
107.07076	1.8
113.06037	0.3
115.05469	0.3
117.07037	0.6
117.09124	1.0
119.04942	0.8
119.08577	1.1
121.06490	7.4
129.07005	1.3
129.44453	0.3
130.08598	1.8
131.07056	2.4
131.08551	6.4
133.08586	24.5
133.10185	0.8
134.08920	0.3
135.10107	0.4
145.06432	0.4
147.08043	3.5
149.09593	1.6
149.61505	0.3
165.06970	0.9
165.09058	1.1
166.07764	0.5
169.10097	0.5
173.09499	0.3
175.09622	0.9
177.11212	6.4
178.07790	0.4
179.08591	0.3
184.07347	0.3
184.79083	0.3
191.10576	0.8
192.09265	0.3
199.58812	0.3
207.11795	0.3
209.11629	0.5
209.13348	0.4
211.13124	0.3
220.29361	0.3
221.13716	0.5
223.11116	1.7
225.12708	14.4
226.12906	0.4
227.12718	0.4
239.14619	0.3
249.12665	0.6
251.14351	2.4
267.13760	0.7
269.15262	3.8
283.17209	0.4
295.16739	0.9
311.16229	0.5
313.17822	0.8
327.17300	1.0
329.18896	0.3
373.21561	5.2
383.42709	0.3
592.09906	0.3
593.73297	0.4
699.77747	0.3
831.50232	1.4
835.07336	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	8.2
67.05505	5.6
69.03426	4.3
69.07067	2.1
71.01334	0.9
71.04998	1.1
71.08622	2.5
73.02917	6.2
79.05492	2.4
81.03413	2.4
81.07059	3.3
81.95467	0.6
83.08614	1.0
85.02902	9.6
85.10173	1.3
87.04469	1.0
90.42885	0.7
91.03956	5.5
91.05484	1.6
91.31702	0.7
93.07050	1.3
93.67173	0.7
95.08617	2.5
95.36401	0.6
97.02898	7.1
97.10162	1.0
99.04494	1.1
101.02386	2.3
103.03926	1.1
105.07054	3.1
107.08613	1.3
109.02907	1.2
109.10152	8.4
119.08580	1.0
127.03946	2.4
133.08823	0.9
145.05014	0.9
173.11824	2.8
195.78275	0.7
203.05229	1.1
229.14415	1.8
243.08476	3.0
257.24783	0.7
275.20078	1.5
313.27402	2.4
332.92578	0.7
336.01099	0.7
347.09390	3.5
349.23944	1.7
353.38303	0.8
360.63870	0.8
365.10629	1.0
405.13657	7.9
413.17786	14.3
497.31055	5.7
508.67795	0.8
575.22943	11.2
587.46582	1.3
659.36139	6.0
669.41699	2.7
831.47052	100.0
832.47174	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	831.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	0.5
69.07063	0.6
70.06591	2.8
71.30779	0.4
72.08153	0.9
77.03922	0.4
77.67702	0.4
79.05489	1.9
80.05005	0.6
81.03411	1.1
81.05800	0.6
81.07046	1.0
82.06581	1.3
84.04501	0.8
84.08125	1.0
85.02920	0.5
86.09695	1.0
91.05471	2.4
93.05776	0.6
93.07034	6.3
94.06560	7.3
95.04967	1.3
95.07339	6.6
95.08605	0.7
96.08128	15.3
97.06521	1.0
98.21592	0.8
103.05475	1.0
106.06522	1.0
107.04951	4.7
108.08104	14.9
109.08870	1.0
110.06017	0.5
110.07149	1.0
110.09673	25.9
114.36264	0.4
118.98430	0.4
120.08094	16.9
121.06515	1.3
122.06004	1.3
123.06815	1.1
124.07560	2.5
126.26805	0.4
129.10229	0.4
132.08090	0.7
136.07570	11.3
138.09128	31.4
148.07573	5.1
150.05595	0.7
150.09105	1.2
152.07047	4.5
160.03955	2.1
162.09137	9.8
164.07077	3.0
166.08629	40.9
170.08116	0.5
178.04979	0.8
180.06540	0.8
192.06546	6.8
196.06160	0.7
196.09903	0.5
197.10799	0.6
204.06592	0.5
206.08102	10.4
208.05888	0.6
209.10707	1.3
210.07652	0.5
210.11571	0.7
211.08717	0.6
211.12317	1.4
212.12761	0.5
213.10287	0.7
219.09149	0.8
223.08643	0.8
223.12318	0.5
224.09442	0.6
225.10175	5.3
226.11031	1.0
227.11830	1.6
227.15254	0.4
236.09320	0.5
237.10210	4.7
238.10851	1.9
239.11755	8.0
241.09691	4.5
243.11212	0.8
249.10197	6.6
250.10672	0.6
251.08224	1.3
251.11667	2.3
252.08817	5.0
252.12717	0.6
253.09688	2.2
253.13467	0.6
255.11246	3.3
256.12012	1.0
257.09183	0.7
257.12924	0.8
261.10272	3.5
263.11844	0.7
264.08899	2.7
265.09680	11.7
266.10272	34.4
267.11267	18.3
267.15656	0.5
268.08582	0.5
268.11874	0.6
269.09195	2.3
269.12784	2.2
270.09924	0.9
271.10757	1.2
272.13037	3.8
273.12238	0.6
277.09674	2.8
278.10541	2.6
279.11273	16.3
280.08923	0.5
280.11902	1.7
281.09323	1.4
281.12756	0.9
282.09949	0.8
283.10748	11.7
283.13922	0.6
284.11545	13.8
285.12335	2.9
287.13892	2.6
289.09732	2.0
293.09146	6.6
293.12354	0.6
294.09900	1.0
295.10831	2.1
296.11542	4.1
297.08746	2.6
297.12360	5.8
298.13071	1.2
299.10385	0.5
299.13757	1.0
305.09299	1.7
307.10797	1.4
309.12375	0.9
311.10248	27.8
311.13065	1.2
312.10522	0.5
313.11877	0.9
315.13385	20.3
316.14029	1.0
317.14954	0.5
321.08609	0.6
321.12106	0.6
323.10242	7.0
325.11908	2.4
329.11411	1.1
329.14960	0.5
333.08609	2.0
337.11877	0.6
339.09756	1.4
341.11484	0.9
343.12866	35.5
344.13397	1.3
353.11322	2.4
355.12784	2.0
356.13263	0.5
357.10660	2.9
358.12411	0.5
359.12088	0.7
361.14099	0.8
371.12350	34.1
372.12900	0.7
375.15784	0.6
383.12387	9.3
385.13852	1.4
402.18036	0.6
403.14978	38.8
404.15561	1.1
415.14929	2.5
417.16394	0.6
421.15903	1.2
430.17581	0.5
431.18549	1.1
435.15308	1.0
449.19568	4.1
458.17181	0.6
463.14795	0.5
465.16159	0.5
476.18015	1.0
490.19501	0.8
504.17703	1.0
506.18921	0.6
508.20804	7.4
510.22443	1.1
518.19275	1.2
522.18365	1.4
524.20807	0.5
526.21997	0.7
528.19458	1.0
536.20245	100.0
537.20612	2.7
540.19916	1.9
554.21313	1.0
567.21429	0.6
568.22833	48.6
569.22992	1.7
600.23096	0.8
612.23132	0.7
630.24744	0.9
657.25244	1.1
675.26898	0.5
693.27441	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
66.41672	1.1
67.05476	2.7
69.03413	2.0
69.97880	6.8
70.06591	20.6
72.08147	4.0
72.97436	1.6
75.81348	1.5
79.05463	3.7
80.05013	1.4
81.03381	3.6
81.07025	3.0
81.18137	1.3
84.04490	2.1
84.08139	5.0
85.02892	4.8
86.06066	1.7
86.09694	6.4
91.05469	3.5
93.05772	1.5
93.07063	6.9
94.06573	8.4
95.04953	4.1
95.07323	3.6
96.08126	8.4
97.02897	2.2
97.06557	2.2
98.06059	1.9
103.05453	1.8
105.07020	2.7
107.04947	20.9
108.05237	1.5
108.08116	14.6
110.07142	4.0
110.09669	19.0
112.08664	1.6
119.08656	1.3
120.08099	16.8
121.02847	1.6
121.06511	8.3
122.06006	2.8
124.07559	4.0
126.05485	1.8
129.10194	2.0
132.08031	1.5
136.07578	19.2
138.05432	1.9
138.09122	20.6
148.07608	3.9
150.09114	5.9
152.07074	8.9
158.05917	1.5
160.03902	2.2
161.06053	1.8
162.09119	4.2
164.07059	4.3
166.08633	33.5
173.09601	2.1
174.09100	2.2
192.06567	5.0
193.12204	1.8
204.06473	2.5
206.08078	4.9
213.10133	1.6
225.10199	4.3
226.10843	1.7
227.11853	3.6
237.10173	2.8
237.61630	1.4
239.11777	8.3
241.09723	3.0
246.07515	1.5
248.70630	1.5
249.10382	4.8
251.08102	1.9
251.11884	3.2
252.08824	4.2
253.09648	2.6
255.11235	3.3
258.11154	5.3
259.10822	3.2
261.10165	1.8
264.08865	2.0
265.09622	9.7
266.10291	27.1
267.08530	2.1
267.11172	12.8
269.09259	2.5
271.10593	2.1
272.12946	8.6
273.12506	2.0
279.11252	11.7
281.08936	2.0
283.10696	8.2
284.11566	9.3
285.12268	9.3
287.14099	1.6
293.09177	4.8
295.10678	3.5
296.11700	2.6
297.12277	7.4
299.10254	1.6
299.13770	2.2
311.10220	22.8
313.11951	1.6
315.13342	13.5
323.10126	4.1
325.11563	2.1
327.04874	1.9
339.09842	2.9
343.12842	28.2
371.12332	31.4
372.17502	1.8
373.13782	2.4
383.12280	6.1
403.14978	26.6
431.17923	1.8
449.19031	7.7
450.20016	1.8
476.18311	3.4
486.16550	2.5
504.17447	6.5
508.20514	6.3
508.27313	1.7
522.18256	3.0
524.20319	2.7
536.20270	100.0
554.21613	2.6
568.22882	37.4
615.37201	2.1
630.24561	16.9
630.33960	2.8
657.26398	3.1
661.24768	2.8
675.25842	1.9
693.27948	9.4
693.37585	2.1
813.41675	3.6
831.42645	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.6186
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06592	7.6
59.04994	0.7
60.04541	0.6
66.08253	0.6
67.05502	2.0
68.05011	0.9
69.07066	1.3
70.06585	3.8
71.08644	1.2
71.59558	0.8
72.08150	23.3
73.02933	0.9
79.05494	1.7
80.71736	0.5
81.03397	0.7
81.07057	2.3
82.06588	0.7
83.08635	0.8
84.08157	1.6
85.02912	0.7
85.10193	0.7
86.06068	2.4
86.09702	1.7
87.04449	4.1
88.07609	4.0
89.06026	10.1
91.05478	1.7
93.07026	1.4
94.06594	0.6
95.08581	0.9
97.02878	0.8
98.06104	0.7
100.07611	6.2
101.02351	0.7
105.07054	1.9
107.04952	0.7
107.08603	0.8
112.07609	2.6
114.09209	1.5
116.10782	1.4
118.06538	0.9
118.18466	0.6
121.06541	0.6
131.08585	0.9
132.10185	0.8
133.08612	1.3
133.10110	0.6
138.46288	0.7
176.12938	0.9
177.11108	0.6
179.43633	0.5
184.07333	1.3
220.15446	0.7
230.15372	4.8
264.18112	2.5
266.28543	0.9
268.29999	1.4
282.31519	13.3
298.31204	0.9
308.20807	1.8
310.31284	1.0
324.61621	0.5
334.20068	0.7
335.25943	0.7
352.23312	1.7
396.25937	2.6
430.39145	2.5
474.41614	4.6
518.44031	3.1
562.46753	3.4
602.37042	0.7
606.49536	2.8
650.44092	0.7
706.85284	0.6
830.62036	100.0
831.62189	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	829.6332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04985	1.5
61.02932	4.3
65.03938	6.0
67.05498	77.4
67.08325	1.4
67.53796	1.4
68.05818	2.9
69.03448	5.7
69.07062	35.0
70.06600	5.0
71.04990	6.1
71.59572	1.8
72.04570	1.8
73.02901	2.9
73.06612	1.4
78.55282	1.4
79.05482	65.0
80.05797	1.7
81.03420	10.9
81.07050	81.4
82.07382	2.4
83.04984	4.6
83.08607	18.6
85.02927	5.1
85.06575	4.7
86.06056	16.4
86.09714	2.4
87.04458	18.6
87.06429	1.9
89.06025	22.0
91.05471	53.9
93.07034	71.2
94.06590	1.8
94.07413	2.7
95.04964	16.6
95.08597	71.8
96.08117	1.9
97.02917	3.6
97.06551	6.8
97.10151	10.1
98.06053	16.0
99.08086	2.2
103.05486	3.7
104.07100	7.4
105.04543	1.8
105.07018	100.0
106.07362	3.4
107.04928	7.4
107.07112	1.6
107.08584	49.8
107.09266	2.6
109.06534	6.1
109.10142	30.3
111.08093	3.8
112.07619	4.6
115.05482	3.1
117.07004	23.1
119.08569	42.5
120.08940	1.6
121.06497	3.8
121.10127	34.1
123.08089	4.6
123.11681	7.4
125.09650	4.5
126.05547	2.7
128.06267	6.7
129.06992	17.9
129.07744	1.6
131.08557	41.2
131.09479	2.6
133.08620	15.1
133.10120	33.9
133.11067	2.3
135.08089	2.4
135.11685	27.3
137.09650	3.3
137.13303	3.5
138.05469	1.4
139.11240	2.6
141.06985	8.0
142.07774	3.8
143.08533	23.5
143.09506	2.0
145.06494	1.7
145.10101	33.5
147.08128	2.6
147.11674	22.7
147.12752	1.6
148.07613	2.7
149.09608	12.0
149.13251	13.3
150.10025	3.8
151.11191	2.0
153.06917	1.6
155.08563	16.7
156.09367	3.1
157.10110	22.7
158.08156	2.4
159.11684	28.5
159.12820	2.1
161.13219	10.8
163.07684	1.7
163.11230	2.2
163.14883	4.7
165.07036	3.6
166.07788	2.2
167.08611	6.9
167.10782	2.2
168.09428	2.5
169.10127	16.2
170.63225	1.6
171.11638	17.4
173.13251	20.3
175.11197	3.5
175.14912	4.9
177.11296	2.8
177.12755	2.0
177.16275	1.8
179.08647	4.9
180.09325	2.7
181.10147	12.9
183.11667	16.0
184.07413	3.2
184.13416	2.0
185.13206	15.3
187.14763	8.3
189.09079	9.2
189.16451	3.1
191.08722	3.4
191.10728	2.0
193.10252	7.2
193.12280	2.1
194.11020	2.0
195.11662	13.3
197.13203	13.1
199.11172	1.7
199.14799	8.7
199.16660	1.4
201.16452	3.2
205.10172	2.5
206.11258	1.5
207.11853	6.6
207.13773	2.3
209.13258	10.4
209.15128	1.5
210.14905	9.1
211.14778	10.6
213.16431	7.0
219.11830	3.0
220.12570	1.7
221.13353	6.6
223.14893	5.0
223.17017	1.7
225.16449	7.3
227.17993	3.1
228.16023	4.5
230.15675	1.6
233.13339	2.0
234.14980	4.4
235.14900	3.5
235.17041	2.9
237.16525	6.0
237.18620	2.3
239.18221	2.1
241.19710	4.2
249.18669	3.3
251.17953	3.1
251.20219	3.5
252.15923	8.1
253.19757	2.2
256.15506	3.2
259.20755	1.8
260.16660	1.8
261.18857	1.7
263.17773	1.8
263.20224	3.4
265.19525	2.6
267.13867	6.0
267.16147	6.4
268.16296	2.5
270.17133	4.2
275.20209	3.9
277.21661	28.1
277.81693	1.7
278.17734	4.2
279.23563	2.0
285.18686	2.0
289.21979	2.2
301.22015	2.5
303.23260	2.5
311.16718	2.5
311.20175	2.4
315.23404	2.7
317.24945	2.2
325.21771	1.9
327.23401	2.7
329.24945	3.2
331.26508	2.9
335.25977	8.7
336.26328	4.1
339.23190	3.5
343.26462	3.0
345.28345	2.0
355.26691	3.1
357.28024	6.1
359.29742	1.8
367.26532	3.3
369.28156	3.5
371.29626	4.3
372.20245	1.7
381.28159	2.8
383.29755	5.3
385.31186	2.9
395.30057	1.8
397.31155	2.0
407.29956	2.5
409.31146	2.0
421.31033	2.1
431.31818	2.0
445.33719	3.7
457.33514	3.0
459.34833	6.0
471.34897	3.5
473.36118	3.7
483.35162	2.1
485.36423	3.7
495.34497	2.5
528.38367	3.3
551.41418	4.1
553.42590	6.5
563.24194	1.7
577.43097	3.0
579.44305	2.4
608.41058	2.1
617.46478	2.0
622.43677	4.3
623.43817	9.7
630.43073	1.9
631.46405	2.2
648.45184	4.8
649.44971	31.2
650.44769	4.9
668.43713	23.2
793.62122	2.2
811.50409	14.8
829.63696	73.5
830.63928	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	829.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	4.9
67.05496	6.4
69.03431	3.6
69.07066	3.1
73.02909	3.4
73.49158	0.8
79.05502	5.5
80.04554	0.8
81.03413	1.4
81.07069	5.9
82.17957	0.8
83.08625	1.5
85.02895	5.7
89.06037	1.2
91.03962	3.7
91.05502	3.5
93.07062	2.6
95.04967	1.9
95.08611	2.8
97.02897	3.4
99.04476	1.0
101.02406	1.5
105.07036	3.2
107.08603	2.9
109.02859	0.9
109.10190	1.6
116.03869	1.0
117.07047	1.3
119.08550	1.7
121.10147	1.5
127.03853	1.0
133.10115	1.2
145.10182	0.9
183.72398	0.8
229.62137	1.2
243.08572	2.6
245.53128	0.9
333.20493	2.6
354.33652	1.5
398.36270	3.2
425.00000	1.1
464.83224	1.1
486.14996	0.9
519.29285	7.8
551.28094	5.0
646.30853	1.0
794.59558	1.9
829.50653	100.0
830.50867	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	829.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04987	0.5
61.02925	5.2
67.05499	7.3
69.03424	4.3
69.07069	2.5
69.27655	4.7
69.28077	1.3
71.04988	0.6
72.93608	0.5
73.02912	5.6
73.37415	0.6
74.03709	0.5
77.56149	0.5
79.05493	5.1
81.03426	2.0
81.07052	6.4
83.03179	0.5
83.04993	0.7
83.08630	0.9
85.02902	5.9
87.04441	0.6
91.03951	4.6
91.05454	4.2
93.07041	5.7
95.04980	1.2
95.08612	4.4
97.02879	5.7
97.06584	0.6
99.04473	1.4
101.02397	2.4
105.07035	3.3
107.08601	2.4
109.06558	0.9
109.10148	1.3
119.08617	1.7
121.10156	2.0
127.03927	1.8
131.08546	1.3
132.76501	0.5
133.10094	1.3
135.11729	1.5
145.10178	1.4
147.11763	0.8
149.13330	0.7
159.11723	1.0
163.11156	0.6
180.90668	0.5
185.04271	1.1
203.05312	0.8
241.06766	0.6
243.08374	2.8
266.51685	0.5
319.25409	0.5
333.20261	4.0
403.59415	0.6
453.20999	1.0
519.29285	8.4
551.28448	5.4
594.03638	0.7
829.50665	100.0
830.50769	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	829.6332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04985	1.5
61.02932	4.3
65.03938	6.0
67.05498	77.4
67.08325	1.4
67.53796	1.4
68.05818	2.9
69.03448	5.7
69.07062	35.0
70.06600	5.0
71.04990	6.1
71.59572	1.8
72.04570	1.8
73.02901	2.9
73.06612	1.4
78.55282	1.4
79.05482	65.0
80.05797	1.7
81.03420	10.9
81.07050	81.4
82.07382	2.4
83.04984	4.6
83.08607	18.6
85.02927	5.1
85.06575	4.7
86.06056	16.4
86.09714	2.4
87.04458	18.6
87.06429	1.9
89.06025	22.0
91.05471	53.9
93.07034	71.2
94.06590	1.8
94.07413	2.7
95.04964	16.6
95.08597	71.8
96.08117	1.9
97.02917	3.6
97.06551	6.8
97.10151	10.1
98.06053	16.0
99.08086	2.2
103.05486	3.7
104.07100	7.4
105.04543	1.8
105.07018	100.0
106.07362	3.4
107.04928	7.4
107.07112	1.6
107.08584	49.8
107.09266	2.6
109.06534	6.1
109.10142	30.3
111.08093	3.8
112.07619	4.6
115.05482	3.1
117.07004	23.1
119.08569	42.5
120.08940	1.6
121.06497	3.8
121.10127	34.1
123.08089	4.6
123.11681	7.4
125.09650	4.5
126.05547	2.7
128.06267	6.7
129.06992	17.9
129.07744	1.6
131.08557	41.2
131.09479	2.6
133.08620	15.1
133.10120	33.9
133.11067	2.3
135.08089	2.4
135.11685	27.3
137.09650	3.3
137.13303	3.5
138.05469	1.4
139.11240	2.6
141.06985	8.0
142.07774	3.8
143.08533	23.5
143.09506	2.0
145.06494	1.7
145.10101	33.5
147.08128	2.6
147.11674	22.7
147.12752	1.6
148.07613	2.7
149.09608	12.0
149.13251	13.3
150.10025	3.8
151.11191	2.0
153.06917	1.6
155.08563	16.7
156.09367	3.1
157.10110	22.7
158.08156	2.4
159.11684	28.5
159.12820	2.1
161.13219	10.8
163.07684	1.7
163.11230	2.2
163.14883	4.7
165.07036	3.6
166.07788	2.2
167.08611	6.9
167.10782	2.2
168.09428	2.5
169.10127	16.2
170.63225	1.6
171.11638	17.4
173.13251	20.3
175.11197	3.5
175.14912	4.9
177.11296	2.8
177.12755	2.0
177.16275	1.8
179.08647	4.9
180.09325	2.7
181.10147	12.9
183.11667	16.0
184.07413	3.2
184.13416	2.0
185.13206	15.3
187.14763	8.3
189.09079	9.2
189.16451	3.1
191.08722	3.4
191.10728	2.0
193.10252	7.2
193.12280	2.1
194.11020	2.0
195.11662	13.3
197.13203	13.1
199.11172	1.7
199.14799	8.7
199.16660	1.4
201.16452	3.2
205.10172	2.5
206.11258	1.5
207.11853	6.6
207.13773	2.3
209.13258	10.4
209.15128	1.5
210.14905	9.1
211.14778	10.6
213.16431	7.0
219.11830	3.0
220.12570	1.7
221.13353	6.6
223.14893	5.0
223.17017	1.7
225.16449	7.3
227.17993	3.1
228.16023	4.5
230.15675	1.6
233.13339	2.0
234.14980	4.4
235.14900	3.5
235.17041	2.9
237.16525	6.0
237.18620	2.3
239.18221	2.1
241.19710	4.2
249.18669	3.3
251.17953	3.1
251.20219	3.5
252.15923	8.1
253.19757	2.2
256.15506	3.2
259.20755	1.8
260.16660	1.8
261.18857	1.7
263.17773	1.8
263.20224	3.4
265.19525	2.6
267.13867	6.0
267.16147	6.4
268.16296	2.5
270.17133	4.2
275.20209	3.9
277.21661	28.1
277.81693	1.7
278.17734	4.2
279.23563	2.0
285.18686	2.0
289.21979	2.2
301.22015	2.5
303.23260	2.5
311.16718	2.5
311.20175	2.4
315.23404	2.7
317.24945	2.2
325.21771	1.9
327.23401	2.7
329.24945	3.2
331.26508	2.9
335.25977	8.7
336.26328	4.1
339.23190	3.5
343.26462	3.0
345.28345	2.0
355.26691	3.1
357.28024	6.1
359.29742	1.8
367.26532	3.3
369.28156	3.5
371.29626	4.3
372.20245	1.7
381.28159	2.8
383.29755	5.3
385.31186	2.9
395.30057	1.8
397.31155	2.0
407.29956	2.5
409.31146	2.0
421.31033	2.1
431.31818	2.0
445.33719	3.7
457.33514	3.0
459.34833	6.0
471.34897	3.5
473.36118	3.7
483.35162	2.1
485.36423	3.7
495.34497	2.5
528.38367	3.3
551.41418	4.1
553.42590	6.5
563.24194	1.7
577.43097	3.0
579.44305	2.4
608.41058	2.1
617.46478	2.0
622.43677	4.3
623.43817	9.7
630.43073	1.9
631.46405	2.2
648.45184	4.8
649.44971	31.2
650.44769	4.9
668.43713	23.2
793.62122	2.2
811.50409	14.8
829.63696	73.5
830.63928	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	829.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	4.1
64.37399	0.7
67.05495	5.0
69.03426	3.7
69.07056	2.1
71.01351	0.7
73.02921	3.4
79.05484	6.8
81.03413	2.3
81.07057	5.3
83.08604	1.1
83.89847	0.9
85.02895	5.2
86.09689	0.9
87.04462	1.6
89.06033	1.3
91.03951	2.9
91.05479	5.9
93.07029	6.4
95.04971	1.7
95.08607	3.0
97.02914	4.5
101.02373	1.7
103.05428	0.9
105.07021	13.6
106.07382	0.9
107.08604	3.5
109.02824	0.9
109.06567	0.7
109.10158	1.0
117.07022	2.4
119.08584	3.5
121.10149	2.7
127.03917	1.7
129.05470	0.9
129.07014	1.4
131.08582	3.3
133.10143	2.5
135.11679	1.6
137.53024	0.7
141.56932	0.7
143.08565	0.9
145.10098	1.9
147.11745	1.0
159.11638	0.9
161.13293	1.1
171.11717	0.8
184.07370	1.2
185.04247	1.3
185.13318	0.9
232.32387	0.7
243.08473	3.3
251.14333	0.9
301.08881	2.0
310.34528	0.8
313.27463	0.9
315.10248	1.0
317.20789	1.3
465.21048	0.8
525.23291	1.4
535.28705	15.0
589.97717	0.7
606.83478	1.0
607.30707	2.2
626.73492	0.8
829.50610	100.0
830.50812	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	828.515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04982	1.0
69.03415	0.3
70.06586	1.4
71.04992	0.8
73.02908	2.6
73.06545	3.4
73.94893	0.2
80.24944	0.3
84.04511	0.5
84.08127	0.5
86.09687	0.8
87.04459	22.0
89.06020	100.0
90.06364	0.6
91.07593	0.6
98.12772	0.3
107.04995	0.3
107.07055	3.4
110.07159	0.4
113.05989	1.2
115.07555	0.8
117.09126	2.2
129.10179	0.3
130.08640	0.8
131.07033	5.6
133.08586	59.0
134.08881	0.6
135.10179	0.7
136.07578	0.8
146.80310	0.3
151.09628	0.3
159.10187	0.4
161.11670	0.7
175.09651	4.2
177.11201	20.2
219.12196	1.3
221.13814	3.4
223.15375	0.8
229.44374	0.3
229.46725	0.4
239.14877	0.8
265.16455	0.6
283.17334	0.9
309.19116	0.4
327.19882	0.4
353.21399	0.5
397.24225	0.4
566.21112	1.2
604.27490	0.4
811.47638	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.5086
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06575	1.3
60.08163	1.0
61.02927	8.7
65.03940	1.9
67.05500	30.3
68.05011	1.7
69.03429	14.0
69.06715	0.8
69.07068	9.8
70.06589	7.7
71.01347	0.7
71.05003	3.5
71.59551	1.3
71.59918	0.7
73.02901	3.7
79.05486	24.5
80.05004	2.6
81.03053	0.4
81.03410	18.5
81.07052	30.6
82.06577	2.5
83.04982	5.7
83.08613	6.2
83.32424	0.6
84.04503	8.0
84.08141	3.2
85.02894	7.7
85.06531	0.8
86.06059	47.9
86.09719	1.0
87.04463	23.6
91.03941	3.8
91.05474	17.3
93.07037	28.4
94.06561	2.8
95.04964	10.7
95.08601	23.2
96.04475	1.3
96.08121	2.3
97.02892	7.4
97.06532	6.4
97.10168	2.2
98.06049	32.4
99.04443	1.5
99.08076	0.9
101.02369	1.1
102.05562	1.4
104.07101	28.4
105.07027	10.9
106.06555	0.6
107.04964	2.5
107.08578	10.6
108.08048	0.9
109.02867	1.3
109.06499	1.4
109.10161	7.3
110.06027	1.4
110.09702	0.8
111.04457	1.0
111.08085	2.6
112.07600	17.5
112.08342	1.2
115.05455	0.7
117.07010	3.1
119.08565	6.9
121.06528	1.7
121.10126	10.8
122.06033	1.1
123.08088	1.4
123.11726	2.7
124.07585	4.2
126.05516	7.6
126.09178	1.7
127.03913	0.9
128.07076	1.0
129.07001	1.9
131.08568	8.9
133.06500	0.8
133.10133	5.1
135.08078	0.9
135.11703	5.1
136.07590	1.4
137.13255	1.0
138.09129	2.0
138.12808	2.0
139.11177	1.7
140.07063	3.5
142.08640	5.0
145.10115	2.9
146.08145	0.8
147.08099	1.0
147.11664	6.7
148.07587	3.8
149.09607	30.0
149.13284	2.0
154.08604	3.0
157.10146	2.8
158.08134	9.8
159.11719	2.7
161.13329	1.1
163.14789	0.6
164.18608	0.6
165.12756	2.6
166.08595	1.5
166.12289	2.9
167.10748	1.7
173.13293	1.7
175.11183	3.6
177.12770	2.4
182.15456	1.8
184.07375	1.5
184.13330	3.3
192.13812	0.8
193.12242	9.8
194.15498	1.2
195.13777	1.2
206.15463	2.5
210.14882	7.3
211.13336	2.6
212.16385	1.2
214.19041	0.6
222.14746	0.6
224.16515	3.2
224.64595	0.7
227.12721	1.2
232.16930	1.1
234.14886	2.8
243.21068	1.4
250.18005	3.4
250.70348	0.6
252.15939	14.8
258.16888	0.8
260.16446	5.8
261.22293	3.5
267.15894	25.5
268.16254	1.3
268.18695	3.3
270.17007	2.8
278.17459	12.0
286.20041	0.6
296.18591	7.8
314.19653	2.8
317.24948	1.0
326.19675	1.3
333.14832	0.9
335.25778	25.4
344.20786	3.4
352.21298	0.9
362.21637	2.1
370.22345	5.8
378.88486	0.7
388.23132	4.1
435.32504	0.9
527.37158	8.4
545.38251	5.8
604.42358	4.5
622.43115	39.1
623.43439	2.3
630.43292	6.1
648.44690	100.0
649.44940	7.9
666.45233	1.6
746.60803	0.8
766.47180	2.9
784.48206	4.5
789.24384	0.7
810.49890	44.9
811.50305	3.6
828.53650	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	1.0
60.10020	0.7
61.02919	10.3
65.03930	2.3
67.05499	34.3
68.05018	2.9
69.03420	17.1
69.07063	10.4
69.97281	0.7
70.06586	12.1
70.70525	2.1
70.70879	1.0
71.04991	3.8
73.02906	5.3
79.03160	0.8
79.05483	27.1
80.04999	2.1
81.03404	16.2
81.07049	34.9
82.06557	2.0
83.04970	6.8
83.08604	6.9
84.04494	7.1
84.08119	3.2
85.02891	9.2
85.06551	1.2
86.06059	55.2
86.09726	0.7
87.04461	27.0
91.03948	2.9
91.05473	16.4
93.07034	33.8
94.06553	3.0
95.04942	7.7
95.08601	23.9
96.04500	0.7
96.08128	2.9
97.02880	6.2
97.06525	6.9
97.10154	2.0
98.06045	67.4
99.08089	0.9
101.02424	0.8
102.05546	1.0
104.07101	25.5
105.07008	11.0
107.04946	3.4
107.08592	13.2
108.08090	1.4
109.02831	1.0
109.06513	2.0
109.10136	7.9
110.09717	0.9
111.04462	0.9
111.08065	2.5
112.07593	16.5
115.05404	0.8
117.07013	2.4
119.08576	8.2
120.08049	0.9
120.68345	0.8
121.10130	18.5
122.05997	1.4
123.08036	2.0
123.11680	2.4
124.07568	4.2
124.52129	0.8
125.09634	0.9
126.05510	11.5
126.09145	2.4
127.03905	1.8
128.07034	1.1
129.07005	2.2
131.08562	10.9
133.10117	5.7
135.11702	4.6
136.07536	1.2
137.09608	1.2
137.13249	1.8
138.05484	0.9
138.09111	1.5
138.12770	3.4
139.11163	2.4
140.07059	4.1
142.07730	1.0
142.08582	4.6
145.10106	2.7
147.08090	1.2
147.11650	5.3
148.07582	2.1
149.09607	34.5
149.13271	2.5
154.08623	5.1
157.10120	3.1
158.08113	8.4
159.11685	2.2
161.13229	1.3
164.14435	0.9
165.12772	2.3
166.08591	1.2
166.12300	2.9
167.10664	0.9
173.13278	1.5
175.11183	3.6
176.75369	0.8
177.12720	2.2
182.15349	1.4
184.07358	2.5
184.13319	5.3
193.12245	7.9
195.13762	1.4
206.15402	4.2
210.14897	6.2
210.39001	0.8
211.13286	1.7
224.16429	4.9
227.12770	1.0
234.15015	3.1
240.15903	0.8
243.20985	1.3
250.18086	3.2
252.15907	21.7
252.18500	1.1
253.16266	1.1
260.16440	5.2
261.22018	5.2
267.15900	21.3
268.19177	2.5
270.17026	2.7
278.17471	11.0
286.19846	0.8
288.18011	1.0
296.18509	5.7
314.19666	3.0
326.19604	2.2
335.25781	30.2
336.26169	1.5
344.20673	4.5
352.21179	1.6
362.21777	2.7
370.22305	5.6
388.23260	3.7
454.25931	0.8
527.37122	9.4
545.38507	4.3
604.42010	4.5
605.42285	0.9
622.43091	54.7
623.34668	1.0
623.43610	3.2
630.43536	4.3
635.40356	1.0
648.44641	100.0
649.44983	5.7
666.45850	2.7
673.60815	0.8
690.44806	0.9
748.45239	0.9
766.47357	2.0
784.48260	10.8
810.49908	42.6
811.50720	4.0
828.52576	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	828.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04505	0.2
61.02897	0.2
61.39912	0.2
63.02411	0.2
65.03928	0.4
67.05492	0.8
69.03396	0.5
70.06582	2.3
72.08139	0.7
79.05483	0.5
81.03401	0.5
81.07032	0.5
84.04504	0.8
84.08146	1.0
85.02893	0.5
86.06071	0.3
86.09709	1.3
89.03924	1.2
91.05467	2.5
93.07037	0.6
94.06544	0.8
95.04963	0.4
95.06056	0.3
95.07336	0.3
95.08611	0.3
96.08123	0.7
97.02904	0.3
98.20705	0.5
107.04943	4.8
107.08582	0.3
108.05260	0.2
108.08097	0.7
109.10127	0.4
110.07155	0.7
110.09671	1.3
112.07594	0.2
115.08670	0.2
116.04973	3.8
118.06522	0.2
119.04926	3.4
120.08107	1.4
121.06501	0.7
122.06016	1.5
124.07559	0.5
125.57944	0.2
129.10176	0.3
132.07967	0.3
134.05981	0.5
136.06174	0.4
136.07550	2.4
138.05475	0.3
138.09122	1.8
144.04433	9.6
144.05580	0.5
145.06339	0.2
148.07564	0.4
149.09724	0.2
153.03967	0.2
154.08589	1.2
162.05495	4.7
164.07042	0.6
166.08647	2.2
168.06567	1.0
172.03911	52.7
173.04282	0.4
174.05505	0.3
176.10640	0.4
190.04993	1.0
190.12323	0.4
192.06563	0.4
204.06534	100.0
205.06839	1.2
213.09073	4.8
229.14290	0.2
229.21071	0.3
237.09961	0.3
248.27841	0.2
260.12790	5.9
265.09799	0.3
267.55255	0.2
279.11316	0.4
286.10663	3.6
286.13611	0.3
297.12314	0.3
311.13843	0.3
325.11606	1.1
329.15167	0.9
339.13388	1.4
343.12808	0.2
346.12247	0.2
357.14398	14.7
363.14606	0.4
368.26163	0.2
377.14752	0.3
386.26572	0.3
386.53403	0.2
418.29312	0.3
419.16129	0.4
431.16052	1.1
448.19849	0.2
448.30493	0.6
470.19287	0.4
472.21002	1.5
478.19861	0.3
504.33221	0.3
542.32629	0.2
566.21381	0.7
584.23834	9.4
616.26709	1.0
666.37701	0.4
690.28192	0.3
704.37848	0.4
752.42877	0.3
810.43286	0.4
828.30573	0.3
828.43927	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	828.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
63.01527	0.6
67.05489	2.7
69.07053	1.6
70.06586	7.9
71.04972	0.8
71.20974	1.4
71.21327	0.8
72.08130	2.0
79.05491	5.4
80.04991	1.7
81.03401	2.6
81.05775	1.7
81.07038	2.3
82.06566	2.5
83.06087	0.8
84.04479	2.3
84.08134	4.2
85.02882	1.1
86.09697	3.6
87.04443	1.1
91.05496	3.6
93.05776	0.8
93.07044	9.1
94.06564	11.7
95.04969	3.6
95.07342	9.2
95.08579	1.4
96.08118	20.4
97.02874	0.9
97.06493	1.9
99.04440	0.8
102.05524	1.1
103.05477	1.3
106.06558	2.1
107.04942	49.2
108.04507	1.3
108.05251	1.0
108.08101	13.4
109.08884	1.2
110.07154	1.8
110.09670	41.2
117.07125	0.7
118.06518	1.0
120.04465	0.9
120.08099	26.5
121.02862	2.5
121.06477	2.4
122.05992	1.5
122.09586	0.9
123.06800	1.0
124.07585	7.3
129.10213	1.8
130.06535	0.8
134.05943	1.0
136.07552	8.9
138.05452	1.5
138.09126	53.7
146.05994	1.2
147.04335	0.9
148.07555	11.1
148.08673	1.0
150.05508	4.3
150.09137	0.7
152.07083	1.7
154.08566	1.7
164.07094	1.8
166.08621	76.7
167.08693	1.1
169.13312	0.7
171.08076	0.7
181.06381	1.2
183.06732	1.3
184.09962	0.8
186.09084	1.4
190.04910	1.0
194.09723	2.2
195.08014	0.8
196.07530	1.9
197.08359	2.2
197.10707	1.1
198.09169	3.7
200.10693	3.4
204.08049	2.4
207.06798	2.1
208.07625	1.1
209.08464	0.6
209.10780	0.9
210.09071	4.1
212.10678	2.7
220.07666	2.3
222.09135	10.0
223.07614	2.1
223.09744	0.7
224.07089	1.2
224.10690	5.2
226.08614	3.6
232.07646	3.6
233.08392	1.3
234.09145	1.6
235.06277	3.2
236.07037	2.0
237.10265	0.9
238.08623	8.1
239.11548	1.0
240.10162	5.9
241.89438	0.8
242.11751	19.0
244.09679	28.1
249.07832	1.7
250.08617	37.1
251.05865	1.9
251.09225	1.8
251.11787	1.4
252.10246	8.0
253.09628	3.5
254.11716	2.3
258.11224	2.2
260.07126	1.8
260.12842	2.9
265.09723	2.1
266.08087	28.1
267.08856	4.0
268.09628	4.1
269.10287	1.2
270.11249	4.0
272.12820	2.4
278.08090	82.7
279.08438	2.6
280.09698	7.1
281.12753	1.0
282.11176	2.6
286.10483	1.0
287.11792	1.0
289.13443	5.8
290.14078	2.9
296.09106	1.6
298.10614	9.8
301.13336	1.6
302.14117	1.3
303.11603	1.0
303.14978	2.6
305.12683	1.2
310.10712	28.7
313.13269	2.2
314.11478	1.7
314.14673	1.0
315.11215	2.4
315.14728	1.1
316.12381	1.8
317.12845	6.7
318.14758	1.2
326.11478	1.1
328.12140	1.5
329.12808	10.1
330.13550	3.2
331.14334	4.3
333.16122	1.2
337.12057	1.0
341.12888	3.2
342.13531	1.1
343.14294	4.9
345.12347	3.2
345.16068	0.9
355.14841	1.0
357.12256	2.6
357.16122	1.7
358.13583	1.7
359.13843	7.6
359.17615	1.1
362.13748	2.9
363.14502	1.2
371.14075	3.9
372.14407	1.1
373.15402	1.3
375.17230	1.6
376.15317	6.8
377.14841	14.0
385.15390	2.3
387.17075	6.6
389.14905	7.4
391.16476	1.3
395.17328	1.7
396.18170	3.1
401.14844	2.5
403.16556	6.9
405.18213	5.5
413.15060	1.8
419.15952	9.5
421.14957	1.0
423.16992	3.5
431.15976	100.0
432.16589	2.6
433.17715	2.3
435.17130	1.2
436.17542	1.1
437.18634	1.4
445.17484	3.1
449.17059	22.0
451.16458	3.6
463.18600	37.1
464.18500	2.3
465.18256	2.2
477.18045	2.1
482.20334	1.0
483.18787	1.3
496.20084	1.4
524.21423	2.4
525.20172	8.2
537.20270	2.9
540.25110	1.1
542.22705	3.1
556.23657	1.3
557.22687	3.2
566.22833	1.0
584.23834	10.7
596.23370	2.4
616.26404	4.9
646.29102	5.7
648.26788	7.0
662.28473	2.5
672.27216	4.3
690.28027	98.2
691.28070	5.3
704.29938	0.9
722.30670	17.3
828.42303	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	826.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04993	2.0
61.02925	8.0
65.03934	0.9
67.05499	48.1
69.03418	1.8
69.07063	4.5
70.91843	0.7
70.92192	0.6
71.04987	1.9
71.08625	12.9
72.35480	0.3
73.02914	2.3
79.05483	1.1
81.03410	0.6
81.07051	12.1
81.07515	0.8
83.08611	7.5
83.09106	0.5
85.02898	10.7
85.06544	1.6
85.10176	7.4
86.09685	0.4
89.06021	0.8
91.03946	6.3
91.05473	3.1
93.07041	2.0
95.08600	11.8
97.02876	5.9
97.10161	2.9
99.04472	0.7
99.08072	0.9
99.11724	0.6
103.03951	0.6
103.07568	0.6
104.62260	0.4
105.07032	1.0
107.08563	1.7
109.10147	50.5
111.08080	2.1
111.11754	0.5
115.03960	0.5
117.09156	0.4
119.08576	3.2
123.11681	2.1
125.13281	0.4
127.03921	3.3
129.00677	0.4
136.60034	0.3
137.09608	2.5
137.13222	0.7
145.04977	2.9
155.10625	2.4
163.05983	4.1
169.47070	0.3
173.11732	16.5
223.51857	0.4
229.14333	100.0
230.14728	0.8
239.23749	1.5
248.33011	0.3
257.24759	1.3
313.27338	71.1
314.27652	0.9
354.06165	0.3
373.18518	0.8
467.37296	66.1
468.37540	1.5
814.48413	0.5
826.43011	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
60.11003	0.6
64.68685	0.6
65.03917	0.7
67.05483	1.2
69.07056	0.8
69.86689	1.1
69.87095	2.2
70.06570	2.1
72.08172	0.8
79.05492	3.4
80.04977	0.8
81.03411	0.9
81.05754	1.3
82.06577	1.4
84.04480	0.7
84.08111	1.0
85.06509	0.6
86.09705	0.9
87.13310	0.6
91.05450	3.0
93.05761	1.1
93.07027	6.9
94.06023	0.6
94.06564	8.7
95.04974	3.2
95.07341	7.0
95.08585	0.9
96.08120	20.6
96.77733	0.6
97.06504	2.4
103.05470	1.0
106.06491	1.3
107.04943	36.7
108.04433	0.8
108.08115	9.7
109.08866	1.1
110.07140	0.6
110.09666	36.2
118.06541	0.6
119.04948	0.8
120.08093	24.8
121.02860	1.7
121.06506	1.6
122.05966	1.1
123.06796	1.1
124.07582	2.4
128.71532	0.6
131.08540	0.5
132.08186	0.6
136.07556	7.6
138.05521	0.8
138.09122	47.0
146.05931	1.0
147.04401	0.8
148.07530	9.3
150.05493	3.7
152.07065	0.8
154.08609	0.7
164.07016	1.4
166.08620	76.7
167.08772	1.0
172.03864	1.6
172.24783	0.6
183.06870	0.8
194.09636	2.6
195.07988	0.9
196.07532	1.6
197.08365	0.6
197.10838	0.9
198.09113	3.2
200.10760	1.1
201.04845	0.6
204.06516	1.6
204.08104	3.5
207.06778	2.2
208.07538	1.2
210.09123	4.0
212.10664	1.2
216.06509	0.9
220.07578	1.9
221.08363	0.8
222.09131	13.5
224.07060	1.0
224.10667	3.3
225.07932	0.6
226.08485	2.8
232.07574	3.1
233.08301	1.7
234.09119	1.0
235.06300	4.0
236.07094	1.6
237.07886	1.2
237.10251	1.7
238.08623	11.6
239.11700	0.6
240.10182	3.4
242.11734	7.1
244.09665	18.2
249.07912	1.7
249.10287	1.4
250.08598	67.1
251.05754	1.1
251.09149	1.3
251.11610	1.2
252.10284	4.7
253.09703	2.1
254.11710	1.0
258.11270	1.7
260.12836	0.6
261.07813	0.7
264.09055	0.6
265.09717	2.0
266.08102	24.9
267.08786	2.4
268.09625	3.0
270.11246	3.7
271.10568	0.9
272.12747	1.2
278.08087	76.5
279.08517	1.7
280.09689	5.4
282.11237	9.6
282.14050	1.0
283.10803	0.7
289.13321	4.0
290.14114	2.0
291.15009	0.6
298.10687	26.4
299.11523	0.7
301.13190	1.1
302.14200	0.9
303.11469	0.8
303.14981	1.5
304.11920	0.8
305.12921	1.3
310.10693	71.3
311.10895	1.2
312.12903	0.6
313.13489	1.2
314.11221	1.0
315.11310	1.5
315.14883	0.8
316.12198	1.6
317.12787	5.0
318.14957	0.9
323.10239	0.7
325.11807	0.7
328.12097	1.4
329.12872	6.6
330.13550	2.8
331.14355	2.2
332.15045	0.9
333.16031	0.9
341.12875	2.1
342.13556	1.1
343.14383	3.2
345.12323	1.3
346.28748	0.6
349.15604	0.9
355.14548	1.0
357.12326	2.4
357.16116	1.4
358.13351	1.1
358.79510	0.6
359.13818	4.4
359.17657	0.7
362.13782	1.7
370.12912	0.8
371.13754	3.4
373.15320	0.9
375.16943	1.3
376.15317	4.0
377.14920	7.3
385.15201	3.3
387.17139	3.7
389.14841	4.3
390.15567	0.8
391.16315	0.8
395.17447	1.4
396.18338	1.6
401.14966	1.5
403.16400	5.1
405.18161	2.9
413.15030	2.2
419.15982	6.5
421.14886	0.8
423.17184	2.3
431.15982	44.7
432.16623	1.4
433.17615	2.0
435.18112	1.0
436.18198	0.7
437.18390	0.6
445.17535	7.6
449.18027	1.3
451.16910	2.1
463.18600	100.0
464.18658	2.4
465.18408	1.4
477.17996	1.1
483.19138	0.9
495.19138	0.8
496.20154	0.6
524.21167	0.8
525.20056	4.9
537.20190	1.6
542.22852	2.2
556.23932	1.1
557.22388	1.7
566.22559	1.2
584.23779	8.5
596.23474	1.7
614.24609	0.8
616.26331	3.7
630.25397	1.3
646.29236	2.9
648.26941	4.1
662.28168	2.3
672.27081	3.0
690.28009	62.2
691.28357	2.7
704.29535	1.8
722.30658	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	824.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
60.14139	0.8
61.02908	3.4
65.03936	5.2
65.92059	0.9
67.05500	99.4
69.03417	11.1
69.07064	30.5
70.16855	1.0
70.17176	4.8
71.04980	4.9
71.08617	1.3
73.02889	2.2
77.03909	1.6
79.05487	79.4
81.03411	11.6
81.07050	100.0
83.04978	10.3
83.08613	13.1
85.02911	7.1
85.06537	3.5
91.03937	1.7
91.05476	58.4
93.07038	82.5
95.04966	15.5
95.08598	57.2
96.08923	1.6
97.02894	5.7
97.06521	14.3
97.10164	4.3
99.04462	1.9
99.08073	3.7
103.05446	1.5
105.04493	1.4
105.07024	44.2
107.04964	5.6
107.08588	44.2
109.02865	2.3
109.06498	6.4
109.09441	1.7
109.10146	22.9
111.04427	1.6
111.08077	6.6
115.05450	3.6
117.07004	21.1
119.08573	33.8
121.06471	3.2
121.10130	27.8
123.08044	4.9
123.11704	7.2
125.09577	2.6
127.03887	3.5
127.07578	1.2
129.05476	1.4
129.07019	7.8
131.08563	28.1
133.06418	2.3
133.10123	25.2
135.08070	3.1
135.11688	19.9
137.09572	2.9
137.13243	1.7
139.11143	2.3
140.77701	0.9
141.06979	2.4
142.07762	1.1
143.08531	4.9
145.10117	20.1
147.08047	1.0
147.11690	14.2
149.09619	8.2
149.13237	12.9
151.11121	1.4
155.08461	2.2
157.10086	6.5
159.11700	15.4
161.09644	1.7
161.13235	6.7
163.11153	5.5
163.14835	3.3
169.10101	3.4
171.11667	4.3
173.04433	1.3
173.13228	8.8
175.14801	2.7
177.12750	3.8
177.16356	1.3
181.12254	1.1
183.11700	2.0
185.13251	4.0
187.14848	2.7
195.13788	4.0
197.13268	1.9
198.83223	1.2
199.14836	2.8
201.16347	1.7
213.16475	1.4
217.15910	1.3
219.17384	2.3
227.12772	1.6
229.14175	1.2
229.19470	1.7
233.22667	1.0
235.16983	2.4
239.17896	2.2
243.21117	2.7
247.20558	1.9
251.16617	1.1
255.15880	6.6
257.18951	6.1
259.20578	2.7
261.22101	9.4
269.17462	21.6
275.20029	22.4
277.21707	1.1
291.19559	1.8
293.21222	1.7
303.15793	1.1
309.20560	5.2
317.24820	1.5
331.22748	2.2
335.25772	79.9
336.26022	2.3
349.23746	20.3
350.24084	1.5
351.25537	1.8
367.24954	2.7
420.18445	1.3
477.74588	1.1
485.21036	1.0
489.35315	1.3
509.57089	0.9
515.37274	11.9
529.38837	49.1
530.39178	1.5
543.39978	1.0
569.41968	11.6
570.42084	1.5
583.38702	1.2
609.45020	18.6
610.44897	1.2
627.45972	3.8
673.42218	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04982	2.9
61.02912	2.3
65.03930	3.3
67.05499	82.1
69.03423	7.3
69.07061	36.2
70.84935	4.2
71.04979	4.6
77.03883	1.8
79.05489	75.7
81.03432	8.6
81.07052	90.5
83.04970	8.7
83.08613	16.3
85.02884	5.8
85.06543	3.7
91.04897	2.3
91.05473	53.7
93.07040	70.1
95.04946	12.3
95.08599	55.1
97.02900	6.8
97.06536	8.2
97.10166	17.7
99.08099	4.2
105.07026	52.8
107.04943	7.5
107.08591	47.1
109.02820	2.4
109.06536	8.5
109.10147	27.2
111.08089	2.8
117.07016	17.5
119.08576	33.2
121.06521	4.0
121.10125	30.6
123.08047	5.2
123.11657	7.7
125.09634	12.0
127.03900	3.7
129.05469	1.7
129.06990	6.5
131.08553	26.5
133.10114	26.7
135.08028	4.5
135.11685	18.4
137.09630	3.0
137.13226	2.3
137.30734	1.5
143.08548	5.5
145.10123	25.5
147.07968	1.9
147.11693	18.6
149.09595	10.8
149.13287	7.8
151.11153	2.6
155.08588	3.9
157.10123	6.2
159.11696	18.5
161.13261	9.8
163.11162	6.9
163.14850	1.9
165.12706	2.6
169.10109	3.4
171.11684	5.2
173.11856	2.6
173.13203	7.9
183.11714	4.3
185.13263	6.3
187.14838	4.6
189.11122	4.4
189.12691	1.8
197.13287	3.6
199.14825	3.2
201.16347	3.1
203.14302	2.2
211.14828	2.6
213.16307	1.8
227.12730	19.8
229.14258	5.1
229.19510	2.3
239.17964	4.6
243.21045	2.4
243.39499	1.7
255.15903	5.5
257.18985	14.4
259.20575	3.4
261.22110	10.9
267.16000	2.2
269.17426	13.2
275.20053	44.7
277.21637	2.0
293.21106	4.0
317.24619	2.2
331.22705	3.0
333.24121	2.7
335.25769	100.0
336.26175	2.0
349.23712	39.3
427.78543	2.0
458.82654	1.6
489.35730	8.5
505.35056	3.6
513.39124	2.1
515.37335	8.3
517.40546	2.1
529.38940	12.8
569.41626	4.7
609.44995	50.7
610.45001	2.9
627.45874	6.1
630.26782	1.9
825.52112	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	824.5507
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	2.9
65.03927	4.3
67.05499	49.5
69.03410	4.0
69.07063	18.4
71.04974	2.8
79.05480	37.6
81.07050	42.2
83.01065	6.2
83.04973	3.7
83.08606	9.6
84.04533	2.0
85.02895	3.1
85.06565	2.1
87.04458	2.4
89.06001	5.7
91.05469	46.3
93.07031	42.5
95.04958	6.8
95.08605	37.4
97.06545	2.4
97.10172	2.8
103.05436	2.3
105.07020	63.6
106.07354	8.9
107.08575	22.7
109.06467	3.9
109.10142	13.3
111.04182	14.8
111.08044	2.9
115.05490	4.1
117.07000	19.8
117.21800	2.2
119.08566	32.4
121.06548	3.7
121.10097	19.4
123.11674	3.4
125.09651	2.2
127.03653	12.1
128.06223	3.9
129.06972	12.0
131.08549	24.4
133.08565	3.2
133.10120	20.9
135.11679	12.0
142.07802	2.9
143.08553	19.0
145.10118	22.2
147.11671	17.7
149.13268	5.8
155.06766	6.2
155.08530	10.5
157.10130	13.7
157.11250	2.8
159.11684	16.0
161.13234	7.8
167.08582	4.5
169.10127	10.9
171.06290	6.4
171.11635	13.7
173.13249	8.9
181.10030	5.7
183.11671	13.4
184.07449	3.2
185.13310	11.7
187.14783	6.3
189.16353	2.9
195.11702	4.1
197.13281	7.0
199.09427	14.2
199.14771	6.6
201.16431	2.5
209.11186	2.1
209.13287	6.0
211.14854	5.3
212.67815	2.3
213.16426	4.4
215.08835	5.8
223.14772	6.1
227.17944	2.4
229.43671	2.4
235.14743	3.2
237.16492	3.7
239.17950	4.9
241.19516	4.7
243.12138	3.7
257.18939	5.2
259.20624	4.4
275.20297	2.5
287.14624	9.0
297.22174	3.2
333.24332	7.7
335.25723	4.2
351.26715	2.8
375.19846	4.9
391.18973	3.1
439.32324	2.6
473.32657	3.6
501.34851	2.6
509.61038	2.3
517.40271	12.9
527.37585	2.3
535.41052	5.3
591.43561	6.8
609.45074	100.0
610.45215	6.5
771.00537	2.6
825.45343	77.3
837.21613	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	824.5511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	2.8
61.02922	3.9
65.03931	5.2
67.05500	100.0
69.03433	7.9
69.07061	31.7
69.36706	15.9
70.45365	1.5
71.04979	4.9
73.02911	1.8
79.05486	73.1
81.03416	8.3
81.07051	73.7
83.04968	8.1
83.08614	18.2
85.02899	5.1
85.06544	2.9
89.06046	1.9
89.73817	1.4
91.03944	1.7
91.05471	50.0
93.07037	66.3
95.04964	11.9
95.08598	50.2
97.02878	6.4
97.06528	11.8
97.10165	20.7
99.08075	3.4
105.07027	51.2
107.04960	7.9
107.08588	59.0
109.02882	2.3
109.06506	6.0
109.10146	34.8
111.08060	3.8
115.65043	1.6
117.06995	17.9
119.08576	32.9
121.06466	3.2
121.10138	22.7
123.08076	2.7
123.11688	6.8
125.09615	19.5
127.03910	3.4
129.06990	3.6
130.07768	3.3
131.08553	29.2
133.10120	23.2
135.08061	5.0
135.11682	16.5
137.09615	2.7
142.09138	1.5
143.08556	5.7
145.10115	23.0
147.11670	22.3
149.09596	12.4
149.13239	8.7
155.08488	2.9
157.10146	4.8
159.11687	13.8
161.09648	2.0
161.13271	10.2
163.11188	6.4
163.14830	2.6
169.10124	4.1
171.11705	6.7
173.11737	6.7
173.13260	7.7
175.14809	2.8
177.12756	3.7
177.16258	1.9
183.11787	2.7
185.13231	4.9
187.14815	3.8
189.11218	14.6
197.13208	1.7
213.16402	2.7
227.12758	32.2
229.14322	13.2
239.18005	2.9
243.21068	4.2
247.20569	2.5
257.18951	13.8
259.20596	3.9
261.22141	13.8
269.17606	1.6
275.20056	44.8
277.21579	2.5
293.20856	1.9
317.24689	3.3
331.22647	4.5
333.24335	2.4
335.25766	94.9
349.23697	45.8
367.24802	1.8
389.18079	1.8
420.59277	1.7
489.35721	17.2
505.35379	7.4
513.39172	1.9
515.37134	2.1
529.38611	4.4
609.45081	61.0
610.45398	3.0
627.45789	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	823.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78331	0.1
61.02927	0.7
63.15061	0.1
67.05460	0.5
69.03427	1.5
70.06587	1.2
70.33128	0.5
70.33474	0.2
71.01335	0.2
71.04991	9.8
71.06899	0.2
72.08128	0.2
73.02872	0.6
75.04440	0.5
79.05441	0.4
81.03419	1.0
81.07012	0.3
83.04926	0.6
84.04450	0.2
84.08086	0.4
85.02900	14.0
86.09665	0.6
87.04427	0.5
91.03890	0.4
91.05449	0.3
93.06970	0.1
95.04943	0.3
95.08566	0.2
97.02892	1.3
97.06464	0.2
98.06013	0.2
99.04449	0.3
105.06989	0.3
107.04944	2.5
107.08543	0.2
109.02877	1.1
109.10128	0.2
110.07082	0.1
111.04401	0.5
120.08047	0.4
121.02835	0.2
123.04423	0.3
126.31808	0.1
127.03917	0.7
129.04590	0.2
129.05469	2.5
129.06912	0.2
131.04953	0.2
136.07590	0.2
137.02336	6.1
137.03333	0.2
138.09090	0.2
141.06952	0.2
145.04912	0.5
145.10101	0.2
147.06476	0.5
147.07581	0.1
148.07561	0.2
149.05904	0.3
150.07722	0.3
151.03879	0.4
161.02354	0.2
163.03925	0.3
169.06419	0.3
171.04396	0.5
177.01796	0.9
184.07301	0.2
185.06064	0.8
189.05322	0.2
193.12218	0.2
195.02882	5.7
197.05980	0.7
199.03905	0.8
215.06754	0.1
217.04944	0.8
225.05444	1.9
227.03537	0.2
243.06512	0.1
245.04417	0.5
253.04959	1.8
271.05927	0.3
281.04630	0.3
285.12207	0.2
287.05212	0.2
294.10910	0.2
309.03970	0.1
315.04965	6.7
327.04962	100.0
328.05267	1.8
333.11542	0.1
350.17703	0.3
351.17685	0.2
357.06064	0.3
409.03632	0.3
409.09143	7.1
421.09155	38.9
422.09299	0.7
451.18396	0.4
458.18234	0.1
461.87152	0.2
515.13348	43.5
516.13629	1.0
555.15131	0.4
578.35571	0.2
677.18445	0.2
685.24506	0.4
717.27539	0.3
822.42285	0.2
823.42163	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04983	0.1
61.02909	0.4
67.05482	0.2
69.03424	1.2
70.06577	0.2
71.01327	0.1
71.04985	9.3
71.20612	0.1
71.20967	0.1
72.08158	0.2
73.02903	0.4
74.01601	0.1
75.04490	0.4
76.02219	0.2
79.05444	0.1
81.03413	0.9
81.07031	0.1
83.04960	0.5
85.02897	12.8
87.04446	0.3
91.03973	0.1
91.05486	0.1
93.07031	0.1
95.04947	0.4
97.02875	1.1
99.04433	0.3
107.04958	0.4
109.02872	1.1
110.09692	0.2
111.04442	0.3
120.08142	0.2
121.02850	0.2
123.04397	0.3
127.03897	0.6
129.05464	2.4
129.06934	0.1
131.04968	0.1
137.02330	5.4
137.03378	0.3
138.02863	0.1
141.06995	0.2
144.66017	0.1
145.04961	0.4
147.06499	0.6
149.05968	0.2
151.03906	0.3
153.06960	0.1
157.06531	0.1
161.02380	0.1
166.08667	0.3
167.03513	0.1
169.06512	0.3
171.04341	0.5
172.03914	0.2
173.05988	0.1
175.03859	0.1
177.01770	0.9
179.04945	0.1
185.05991	0.6
189.05443	0.2
195.02876	5.1
197.05949	1.0
199.03899	0.7
204.06520	0.1
205.04912	0.1
217.04968	0.7
225.05463	1.7
225.07574	0.2
227.03412	0.2
243.06531	0.3
245.04471	0.1
253.04959	1.8
263.88348	0.1
271.05838	0.4
273.03937	0.1
281.04279	0.4
295.53152	0.1
308.08997	0.1
309.03918	0.2
315.04944	0.8
323.16388	0.1
325.11850	0.2
327.04947	100.0
328.05301	2.6
338.73779	0.1
357.05997	0.4
409.09232	0.7
421.09128	36.2
422.09482	1.2
425.08588	0.1
506.19055	0.3
510.22281	0.1
515.13324	37.5
516.13672	1.7
519.12708	0.2
555.14771	0.3
611.25446	0.1
677.18463	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	5.6
57.07060	2.3
64.35533	2.1
67.05501	41.9
69.03419	6.9
69.07062	29.1
71.02608	4.8
71.04958	3.8
73.99848	2.0
79.05486	33.0
81.03396	4.4
81.07047	39.5
83.04980	2.8
83.08607	10.4
88.24558	2.1
91.05465	21.8
93.07043	29.4
95.04958	10.4
95.08603	24.4
97.02893	11.8
97.06528	3.5
97.10139	9.8
105.07015	21.0
107.04949	5.4
107.08585	20.4
109.06506	2.8
109.10157	13.7
111.08062	2.8
117.07000	10.6
119.08580	14.3
121.06518	2.3
121.10126	10.0
123.08059	3.8
123.11655	2.6
125.09617	7.1
131.08531	12.5
133.06445	3.7
133.10118	6.9
135.11691	7.6
140.35918	2.2
145.10091	7.8
147.08028	7.1
147.11702	4.0
149.13228	3.8
159.11642	4.9
167.88170	2.2
171.11621	2.9
189.11317	4.3
223.13362	13.2
249.14931	3.0
261.22037	4.8
273.18411	12.1
291.19516	100.0
317.24680	3.4
335.21973	4.3
335.25772	58.6
365.23178	58.1
606.68890	2.6
625.44501	49.7
626.44989	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	822.5356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	5.0
57.07045	4.0
59.19445	2.6
61.51614	2.3
67.05499	54.5
69.03408	9.1
69.07059	33.3
79.05486	40.8
81.03399	5.5
81.07049	43.3
83.04975	3.4
83.08606	11.8
85.48621	2.4
88.48095	2.5
91.05468	28.1
93.07028	37.6
95.04948	10.2
95.08591	39.5
97.02891	10.2
97.06544	4.6
97.10157	10.4
105.07014	27.9
107.04913	6.6
107.08589	21.8
109.06532	3.4
109.10154	16.1
111.75347	3.2
117.07005	5.7
119.04929	2.7
119.08578	16.1
121.10124	14.9
123.08116	4.1
125.09618	7.9
129.06979	3.8
131.08568	9.4
133.10100	11.5
135.08060	3.7
135.11653	8.3
137.09518	2.6
139.22485	2.5
145.10144	6.3
147.08017	7.5
147.11641	5.4
149.13232	2.9
159.11620	3.6
160.92525	2.5
189.11177	4.6
223.13367	14.9
227.12711	2.8
249.14847	5.2
261.22192	7.3
273.18274	12.2
291.19516	100.0
317.24734	3.7
329.11008	2.9
335.25775	90.4
362.41739	3.2
365.23175	46.2
402.66241	2.5
545.38513	4.5
607.41974	3.8
625.44507	97.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	20.9
59.04997	0.8
61.02925	76.2
65.03940	0.8
67.05502	29.1
69.03428	24.8
69.07057	6.4
69.79289	0.7
71.01353	4.5
71.04987	4.5
73.02916	24.8
75.04458	1.8
76.75320	0.8
79.05063	1.4
79.05490	20.0
81.03411	19.4
81.07056	35.0
83.04959	3.3
83.08591	3.1
85.02901	100.0
87.04467	4.9
91.03953	58.3
91.05477	14.3
93.05527	1.1
93.07043	22.2
95.04950	4.1
95.07976	1.1
95.08605	23.0
97.02888	76.1
97.06509	1.5
97.10165	1.3
99.04452	14.6
101.02369	5.5
103.03941	15.5
105.07029	11.3
107.04946	1.0
107.08591	13.4
109.02866	11.9
109.06496	2.1
109.10146	11.3
111.04434	3.3
115.03914	8.2
115.05461	1.1
117.05485	3.3
117.07017	4.0
119.08570	8.9
121.06454	1.0
121.10137	13.9
123.11708	5.8
127.03915	37.2
129.05479	4.9
129.06985	1.2
130.07768	0.9
131.08585	6.7
133.10141	6.5
135.11687	10.0
137.13231	2.4
141.05505	0.9
143.08569	2.5
145.04956	30.0
145.10104	7.4
147.11674	5.9
149.09605	1.4
149.13255	6.2
155.07062	1.1
155.08475	1.0
157.10086	1.5
159.06557	1.3
159.08018	1.4
159.11678	6.7
161.13322	4.1
163.06004	17.9
163.11205	0.9
163.14787	3.3
169.10107	1.7
171.06529	1.8
171.11682	1.9
173.13214	6.3
175.11186	1.0
175.14751	2.1
177.16403	1.5
179.14351	1.0
183.06526	10.4
183.11768	1.4
185.13206	1.5
187.11150	0.9
187.14786	4.5
199.05907	1.1
199.14876	1.1
201.07593	10.7
201.16391	0.9
204.92580	0.8
205.15866	1.1
211.14891	1.0
219.08649	3.3
225.16559	1.1
241.19308	0.9
243.21024	6.0
259.20535	2.1
261.22125	20.1
262.22644	0.9
265.18018	0.9
273.22104	1.4
303.23203	2.8
315.23242	2.5
327.23187	1.4
335.25784	50.0
336.26190	1.0
341.24744	1.0
345.24274	1.1
351.23184	1.6
353.26776	2.1
363.25256	5.2
369.24149	3.6
375.25369	1.0
377.26797	3.0
387.25317	1.4
389.26978	1.0
405.26419	1.0
419.28119	0.9
436.05435	1.0
443.27835	3.3
461.28979	3.4
479.30002	8.6
497.30820	3.0
644.94446	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04978	0.2
61.67426	0.1
68.49686	0.1
73.02901	0.4
73.06563	0.9
77.03938	0.4
77.50716	0.1
79.05484	4.9
87.04460	5.2
89.06021	31.3
90.06363	0.2
91.05465	2.2
91.07606	0.2
93.07043	0.6
95.04955	2.6
103.04871	0.1
103.05457	5.0
105.07019	100.0
106.07349	1.0
107.04932	0.2
107.07069	0.9
113.06014	0.2
115.05406	0.2
116.06214	0.2
117.06963	0.3
117.09148	0.6
119.04920	0.4
119.08580	0.5
121.06493	5.6
128.06161	0.2
129.06979	1.0
130.08623	0.6
131.07054	2.0
131.08551	5.1
133.08588	23.3
133.10207	0.6
135.08031	0.2
135.10139	0.3
145.06454	0.4
147.08035	2.1
149.09612	0.8
163.11143	0.2
165.06993	0.3
165.09109	1.2
166.07761	0.4
173.09593	0.3
175.09692	1.2
177.11205	9.3
179.08548	0.2
181.10107	0.4
191.08568	0.1
191.10664	0.5
192.09276	0.2
193.12244	0.2
195.12263	0.2
197.09612	0.2
207.11700	0.3
208.08841	0.2
209.11676	0.5
209.13312	0.4
211.13188	0.2
219.12253	0.4
221.13789	1.9
223.11191	1.0
225.12711	7.2
227.12817	0.2
237.12924	0.2
239.14789	0.4
249.12737	0.4
251.14285	8.7
253.16003	1.6
255.15962	0.2
265.16394	0.3
267.13855	0.3
267.17535	0.2
269.15329	3.3
271.15256	0.4
279.15793	0.3
283.17456	0.8
295.17007	0.7
309.18964	0.3
311.16418	0.5
313.17975	1.9
315.17957	0.4
327.17294	1.5
329.18945	7.0
353.18689	0.2
355.20456	0.3
357.20728	0.3
359.20572	0.3
371.19592	0.2
373.21585	4.3
375.21594	0.2
398.04495	0.1
401.23090	0.3
403.23163	0.3
417.24280	0.3
419.24161	0.3
430.38092	0.2
447.25958	0.3
463.26501	0.4
477.27820	1.9
491.28540	1.1
507.30142	0.6
551.32245	0.7
595.34772	3.7
655.38202	0.3
699.40887	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.416
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	20.5
57.07097	0.8
59.04973	1.2
61.02926	77.9
65.03938	2.4
67.05505	27.7
67.05787	0.5
67.05871	0.7
67.89886	0.8
69.03427	26.4
69.07069	6.4
71.01349	3.0
71.04996	4.5
71.08626	1.0
73.02917	23.1
75.04472	2.5
79.05489	21.5
81.03419	20.7
81.07054	30.0
83.01334	1.8
83.04997	4.0
83.08614	4.0
85.02904	100.0
85.06535	1.7
86.03247	0.8
86.82358	0.8
87.04480	3.8
89.06022	0.7
91.03955	57.2
91.05479	13.4
93.07045	22.8
95.04961	4.5
95.08606	23.6
97.02889	73.9
97.06516	2.1
97.10161	1.6
99.04449	14.3
99.08049	0.8
101.02383	4.5
103.03935	10.5
105.04515	0.7
105.07027	8.9
107.08586	12.7
109.02875	12.3
109.06538	2.4
109.10156	10.5
111.04424	2.9
115.03951	6.4
117.05517	2.0
117.06998	4.5
119.08575	8.1
121.10133	12.5
123.04493	1.2
123.08056	1.3
123.11703	4.2
125.09694	0.7
127.03909	40.1
129.05504	3.9
129.07040	2.0
131.08575	8.5
133.06619	0.7
133.10126	7.1
135.08000	0.7
135.11659	7.5
137.06003	1.1
137.09625	0.9
137.13245	2.0
139.03937	1.1
143.08577	1.6
145.04961	30.8
145.10132	6.9
147.08147	0.9
147.11661	5.9
149.09685	1.0
149.13254	5.8
155.07085	1.1
155.08549	1.5
157.10155	2.6
159.06554	2.9
159.08063	1.1
159.11694	6.3
161.13266	5.6
163.06010	17.6
163.07379	0.9
163.14774	3.5
165.12845	1.1
169.04982	0.9
171.06570	2.4
171.11702	2.1
173.09595	1.3
173.13260	5.7
175.14845	1.6
177.16362	1.1
183.06543	8.5
183.11644	1.3
185.09602	1.0
185.13316	1.8
187.14870	3.4
189.12793	0.9
195.11894	0.8
197.13383	1.1
199.14842	0.8
201.07590	6.2
201.12753	0.9
201.16417	1.0
219.08675	2.0
227.14415	0.8
229.07106	1.2
241.19722	1.7
243.21037	5.8
244.80673	0.8
259.20676	3.1
261.22144	17.3
261.24814	1.2
271.08136	0.9
271.16769	0.8
271.20618	1.0
277.21655	1.5
279.23233	0.8
285.22202	2.6
299.23587	1.1
301.21625	0.9
303.23190	3.6
315.23236	2.3
317.24762	1.3
323.23483	0.8
327.23291	3.0
333.24490	1.4
335.25793	55.5
336.25961	0.9
341.24930	0.9
345.24228	1.8
351.22937	1.8
353.26862	1.2
363.25299	3.9
369.24240	3.6
377.26859	4.7
387.25388	1.0
389.26807	0.9
405.26700	2.0
419.27686	1.0
425.27045	1.1
428.64175	0.8
431.28391	1.2
443.27689	4.6
461.29321	3.7
479.30170	8.2
497.31244	2.6
522.56714	0.8
610.78467	0.7
654.31903	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05005	0.2
64.19865	0.2
65.03951	0.2
69.66107	0.5
69.66531	0.4
73.02907	0.2
73.06570	0.7
73.72269	0.1
77.03944	0.4
79.05484	5.7
81.03374	0.1
87.04464	5.1
89.06024	30.7
91.05471	2.6
91.06000	0.2
91.07597	0.3
93.07056	0.7
95.04964	2.7
98.20824	0.3
103.05462	4.9
105.07022	100.0
106.07362	0.7
107.07055	1.4
115.05396	0.2
116.06221	0.3
117.07030	0.2
117.09154	0.7
119.04941	0.3
119.08530	0.8
121.06497	4.8
128.06194	0.1
129.06961	1.0
130.08600	0.8
131.07060	2.0
131.08551	4.9
133.08591	22.9
133.10205	0.6
133.51811	0.1
135.08084	0.1
135.10150	0.2
140.32623	0.1
145.06412	0.3
147.08023	2.7
149.09590	0.7
165.06993	0.3
165.09074	1.0
166.07759	0.4
169.10120	0.2
173.09633	0.3
175.09679	1.4
175.11058	0.2
177.11212	9.5
181.10098	0.3
183.10231	0.1
184.07324	0.2
191.10587	0.4
193.12250	0.3
195.11961	0.2
207.11711	0.2
209.11671	0.4
209.13376	0.2
211.13353	0.2
212.17566	0.1
219.12215	0.4
221.13835	1.8
223.11200	0.9
225.12712	5.6
227.12779	0.4
237.12749	0.1
239.14798	0.4
249.12701	0.4
251.14301	7.9
253.16035	1.6
255.15900	0.3
265.16437	0.3
267.13782	0.6
267.17548	0.3
269.15332	3.3
271.15408	0.4
283.17526	0.7
295.16861	0.8
299.18088	0.1
309.19025	0.3
311.16397	0.4
313.17984	2.0
315.17700	0.3
324.47284	0.1
327.17233	1.5
329.18970	6.8
330.19312	0.1
331.18860	0.1
339.19400	0.2
353.18616	0.2
355.20300	0.3
357.20578	0.4
359.20511	0.3
371.20041	0.4
373.21585	3.8
375.21375	0.2
401.23300	0.2
403.23270	0.4
417.24045	0.4
419.24271	0.3
419.87680	0.2
445.25433	0.2
447.25729	0.3
463.26584	0.4
477.22037	0.2
477.27933	2.3
489.28323	0.2
491.28522	0.8
507.29575	0.7
551.31647	0.5
595.34717	3.7
699.40723	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03176	2.1
57.03432	20.2
57.07058	1.6
61.02914	3.2
62.45420	1.4
65.03928	4.1
67.05499	80.7
67.31834	1.2
69.03429	11.9
69.06716	2.0
69.07064	18.7
71.05009	8.5
71.59615	2.5
71.59972	1.3
73.02901	2.1
79.05486	52.5
80.46991	1.4
81.03409	21.4
81.06569	3.0
81.07050	49.8
83.04971	9.0
83.08609	9.5
83.98891	1.2
85.02894	5.6
85.06530	10.8
85.47292	1.5
86.09652	1.4
87.06715	1.4
91.03915	1.5
91.05470	45.5
93.07031	44.3
93.84732	1.3
95.04960	60.5
95.08598	29.4
97.02902	7.9
97.06520	14.4
97.10162	6.0
99.04453	2.7
99.08048	2.0
105.07021	44.1
107.04948	19.3
107.08578	32.7
109.02893	4.9
109.06506	51.9
109.10143	12.6
111.04426	2.9
111.08074	6.2
113.05987	27.9
115.05460	4.4
116.06244	2.0
117.07012	21.2
119.04923	1.5
119.08570	25.5
121.06480	10.6
121.10139	11.0
123.04453	2.3
123.08064	5.2
123.11702	1.7
125.09638	4.4
127.03918	6.6
128.06230	4.2
129.05470	2.2
129.07007	10.5
131.08554	29.5
133.06482	5.3
133.10109	18.6
135.08041	39.3
135.11676	10.6
137.05952	2.8
137.09625	3.4
137.13216	1.4
141.06972	4.7
141.09113	1.7
142.07808	2.3
143.08559	11.1
145.06476	3.4
145.10114	19.0
147.08034	10.4
147.11668	9.4
149.09634	13.7
149.13243	7.5
151.11177	3.5
153.06956	1.3
155.08551	3.9
157.06442	1.8
157.10066	7.7
159.08052	4.1
159.11678	16.8
161.09631	8.6
161.13307	4.9
163.11147	7.5
165.09222	1.7
165.12772	1.7
169.10104	4.4
171.07964	2.0
171.11687	5.2
173.04443	6.6
173.09583	2.2
173.11839	2.1
173.13184	7.0
175.11195	4.3
175.14798	2.2
177.12721	5.5
179.14340	2.3
183.11713	4.2
185.09532	2.5
185.13263	3.2
187.11086	2.7
187.14879	2.2
189.11238	3.2
191.14281	2.3
195.11852	2.1
195.13791	3.2
197.13278	3.5
199.14763	3.5
201.12750	2.3
205.12186	2.7
217.15906	11.5
219.13800	2.0
221.15366	2.1
227.12720	7.0
227.17882	2.8
237.16409	1.9
245.18929	2.6
255.17319	2.0
257.18976	4.1
267.15875	1.8
269.17435	3.3
273.18460	36.1
275.17209	2.7
275.20056	25.2
279.15909	3.6
291.19516	100.0
292.19858	2.5
293.21088	2.1
309.20575	2.6
331.22714	2.2
347.22195	9.8
349.23706	22.6
365.23193	20.8
395.20566	1.6
399.36276	1.6
413.21716	4.3
501.32452	1.7
541.35138	10.2
545.34821	1.6
559.36188	19.4
611.42291	2.0
621.41321	11.9
639.42456	25.7
657.43542	4.9
703.40540	7.6
774.44684	1.5
801.47540	2.3
819.46179	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	819.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03389	0.9
61.02919	1.1
67.05482	0.2
68.99789	1.1
69.03426	6.3
69.07016	0.2
70.06586	2.5
71.04942	0.7
71.32851	0.2
71.59686	0.2
71.60044	0.2
72.08128	0.5
73.02926	1.0
81.03413	6.6
84.04443	0.4
84.08082	0.9
85.02898	10.6
86.09653	0.7
87.00822	3.8
91.03909	0.5
91.05463	1.2
93.07012	0.2
93.09367	0.2
94.06515	0.2
97.02274	0.3
97.02877	4.0
98.06025	0.3
98.97552	0.2
99.04446	2.2
101.02345	0.2
101.07106	0.2
102.05509	0.2
103.03898	0.3
105.01853	2.8
107.01291	0.5
107.04945	1.5
109.02876	5.6
110.07125	0.3
115.03861	0.2
115.05468	0.2
116.98547	0.3
117.01797	0.8
120.08018	0.3
121.02795	0.7
121.79199	0.2
127.03903	8.2
127.07230	0.2
129.01799	0.5
129.10231	0.3
136.07558	0.3
137.02324	5.1
137.03375	0.4
137.05933	0.2
139.03848	0.3
141.01717	0.2
145.04945	2.4
147.02881	0.3
147.04353	0.2
149.02263	0.4
149.05948	0.2
159.02875	3.2
161.05930	0.3
163.03883	0.9
165.01816	1.9
171.04381	0.3
179.03386	0.2
183.02892	2.0
185.05927	0.5
189.03893	0.3
189.05461	1.6
199.03802	0.5
199.47272	0.2
213.03706	0.3
213.05455	0.6
217.04982	1.3
227.03366	0.4
231.04849	1.4
233.66182	0.2
241.04947	1.1
245.04428	2.8
259.05948	1.0
269.04446	0.5
273.03897	0.6
287.05481	1.4
303.05008	0.8
308.67899	0.2
313.91833	0.2
315.04950	77.4
316.05234	2.3
327.07745	0.3
328.62418	0.2
331.06714	0.2
345.05658	0.2
357.05862	0.2
369.33444	0.2
405.10419	0.3
409.09146	100.0
410.09476	3.4
451.10394	0.7
571.14410	27.8
572.14758	0.9
683.67383	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.478
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	0.8
67.05489	0.8
70.06581	1.8
73.02901	1.3
73.06551	3.8
79.05482	4.7
81.03436	0.7
81.07058	1.0
85.95583	0.6
86.09682	1.1
87.03919	1.1
87.04465	21.7
89.06026	75.4
91.05473	15.0
93.07043	8.5
93.76893	0.6
95.04971	4.9
103.05463	11.6
105.07024	100.0
106.07392	1.4
107.04946	1.7
107.07068	2.9
113.06017	0.7
114.09169	1.2
117.07037	1.9
117.09116	2.1
119.04969	5.1
119.08564	3.9
121.06497	56.5
128.06195	0.9
129.06998	3.5
130.08653	1.2
131.07051	6.6
131.08557	10.2
133.08594	42.1
135.08081	0.8
145.06509	1.8
147.08061	9.7
149.09633	4.8
152.06161	0.8
163.07574	0.8
163.11217	0.6
165.06984	1.1
165.09134	2.8
166.07811	0.8
173.09633	1.1
175.09683	3.3
175.11111	0.9
177.11226	11.5
191.10669	0.8
193.12270	2.3
194.89418	0.6
209.11765	1.0
223.11142	3.1
225.12761	4.6
226.91899	0.6
229.73570	1.0
235.13287	0.9
237.14941	0.7
251.14320	2.5
268.30042	0.6
269.15384	10.1
269.30457	0.8
277.16028	0.7
295.16980	0.9
296.33362	0.7
512.16364	0.7
534.78009	0.6
814.62042	2.3
815.62805	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	814.6243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	5.0
58.06598	3.3
65.75303	0.3
68.05022	0.7
69.07066	0.7
69.58331	2.2
69.58627	0.3
70.06589	20.4
71.04978	0.3
71.08638	1.8
72.08152	5.6
73.02911	0.9
76.66462	0.3
79.05513	0.4
81.07072	0.4
81.39528	0.3
82.06585	0.3
84.08137	8.2
85.10174	0.8
86.06081	0.5
86.09700	10.1
87.04465	0.8
88.07645	1.9
89.06026	8.4
89.06553	0.6
91.05466	0.4
96.08160	0.5
102.09184	0.9
105.07034	0.6
107.07082	0.4
112.07588	0.3
114.09167	9.5
116.10741	0.4
132.10208	0.7
133.08630	0.6
143.67995	0.3
158.11794	0.4
176.12845	0.5
184.07394	0.5
220.15569	0.5
234.17053	0.7
235.72964	0.3
264.18021	0.5
268.30005	3.9
282.31622	0.6
294.31549	6.1
295.31949	0.3
296.33099	7.9
297.33270	0.3
308.20804	0.6
310.31067	0.4
312.32593	3.9
322.22311	0.6
352.23526	0.7
353.90268	0.3
356.35123	1.8
358.33838	0.3
366.24994	0.3
372.57202	0.3
396.25616	0.3
400.37845	2.2
410.27365	0.4
433.30490	0.3
444.40518	7.5
444.46500	0.5
444.95438	0.3
445.40796	0.4
488.43082	7.2
505.08713	0.3
532.45728	9.7
533.45917	0.5
543.62579	0.3
576.48273	8.1
577.49207	0.5
590.35602	0.3
607.62903	0.4
620.51074	3.6
664.53442	2.2
814.62427	100.0
815.62897	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	815.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07057	0.6
58.06593	0.9
59.04989	0.4
65.03917	0.5
67.05521	0.6
69.07066	0.4
70.06590	2.9
71.04999	0.5
72.08157	0.8
72.08533	0.4
72.38895	0.4
73.02904	1.0
73.06557	3.1
77.03924	0.9
79.05486	6.4
81.03428	0.5
81.07021	0.6
84.08150	0.8
86.09690	1.7
87.04462	20.9
89.06024	79.2
90.06358	0.4
91.05471	14.7
91.07562	0.7
93.07044	8.2
95.04965	4.9
95.08571	0.5
98.20670	0.7
103.05461	11.4
105.07021	100.0
106.07326	0.9
107.04955	1.4
107.07054	3.2
114.09164	1.0
115.05427	0.9
116.06223	1.1
117.06990	2.2
117.09119	2.0
119.04931	4.8
119.08566	4.6
121.06493	60.1
122.06791	1.1
128.06219	0.7
129.06989	3.8
130.08621	1.9
131.07045	5.1
131.08543	9.4
133.06465	1.3
133.08592	42.4
133.10187	1.1
135.08020	1.1
145.06465	2.1
147.08031	12.2
149.09602	5.0
151.09709	0.4
161.11685	0.5
163.07512	1.0
163.11130	0.7
165.06976	1.0
165.09097	3.5
166.07703	0.7
169.10193	0.6
172.95204	0.5
173.09602	1.1
175.09615	2.1
175.11093	0.9
176.67430	0.5
177.11218	9.7
179.08577	0.4
190.96400	0.5
191.10651	1.7
193.12227	2.0
195.11668	0.4
197.09483	0.5
208.08774	0.4
209.11726	0.6
211.13255	0.5
221.13785	1.2
223.11169	2.7
225.12708	4.1
228.98083	0.5
235.13257	0.6
251.14354	2.6
253.14116	0.5
255.15820	1.1
268.29861	2.3
269.15344	9.6
269.30350	0.8
286.34943	0.4
294.31348	0.5
295.16782	0.8
296.33087	0.6
299.18478	0.7
312.32562	0.5
313.17902	0.8
351.18109	0.5
359.88715	0.4
369.30484	0.4
505.67691	0.4
533.45667	0.6
554.44580	0.4
814.62659	2.8
815.62787	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	811.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.3
59.04998	1.1
60.67835	0.4
61.02908	0.4
65.03928	0.3
67.05486	0.4
69.03418	1.1
69.55128	2.7
70.06582	4.8
71.04980	0.7
72.08147	0.9
73.02900	2.6
73.06541	3.3
74.22288	0.3
79.05478	0.6
80.89296	0.3
81.07030	0.4
84.04513	0.4
84.08130	1.1
85.02882	0.6
86.06081	0.8
86.09692	1.2
87.03912	0.8
87.04459	25.0
89.06020	100.0
91.07596	0.8
95.04977	0.7
97.02904	0.4
98.06029	0.6
100.11256	0.5
107.04941	0.8
107.07061	5.7
110.07153	0.7
112.07584	0.4
113.06017	1.8
115.07578	0.4
117.09129	2.2
120.08094	0.9
129.05424	0.4
130.08607	1.6
131.07031	5.8
133.08588	54.2
134.08882	0.4
135.09161	0.3
135.10175	0.5
136.07571	0.4
138.76181	0.3
149.09515	0.5
166.08597	0.4
175.09621	3.4
177.11209	14.5
219.12236	0.7
221.13811	1.4
228.41479	0.4
279.11325	0.4
283.17343	0.5
315.05029	0.5
325.11700	0.3
337.11679	0.5
341.05533	0.3
498.02252	0.7
614.34808	0.7
624.05237	0.9
776.39618	0.7
843.62933	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4906
Annotation	Glabrin C
Peak:m/z	Relative Intensity
68.25356	2.4
71.59913	3.2
78.59516	2.0
113.34554	2.3
122.96321	2.4
123.70688	2.4
138.00729	2.3
151.09795	3.6
152.63985	2.2
232.11780	2.2
274.21240	2.4
430.99295	2.6
636.26935	2.6
696.29700	2.2
813.49121	100.0
814.49420	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	814.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	13.5
57.07063	2.5
57.34844	1.8
58.06606	1.7
61.02929	8.1
65.03924	3.2
67.05500	58.9
69.03419	6.8
69.07069	15.9
70.06577	13.9
70.78279	5.4
71.04973	4.2
73.02911	1.7
79.05055	2.6
79.05491	38.3
80.05003	5.1
81.03409	54.2
81.07053	58.0
82.06567	4.4
83.04962	7.1
83.08614	14.1
84.08144	2.0
85.02921	7.3
85.06540	3.2
86.09705	2.1
90.05553	29.9
91.03952	1.8
91.05477	27.4
93.07036	45.0
94.06554	3.9
95.04963	20.4
95.06129	2.3
95.08598	37.9
96.08070	1.8
97.02879	6.5
97.06500	3.2
97.10173	3.7
98.06054	3.7
105.07035	23.8
107.04952	8.3
107.08593	24.0
108.08130	2.0
109.06524	4.5
109.10141	19.4
111.04411	1.8
111.08064	6.2
115.05349	1.4
117.07022	7.0
119.08589	19.0
120.08141	2.0
121.06523	4.0
121.10146	24.2
123.08040	2.1
123.11709	7.7
125.09618	2.9
127.04003	2.5
128.06212	2.0
129.06992	9.6
131.08566	15.8
133.06558	2.2
133.10112	13.1
135.08046	1.7
135.11674	10.5
137.09587	4.1
137.13269	1.9
138.12737	1.7
142.07770	2.1
144.06529	3.5
145.10132	7.4
147.08009	3.1
147.11694	10.5
149.09630	8.3
149.13206	4.9
157.10124	4.5
159.11736	4.3
161.13231	4.1
163.14795	3.0
164.14336	3.6
165.12784	3.2
167.10686	3.0
173.13257	5.7
175.11205	5.1
181.39345	1.7
182.15376	3.9
184.07375	3.6
184.13313	1.7
185.13274	1.8
187.14917	2.8
189.11247	1.5
192.13844	8.2
193.12250	19.7
197.09828	1.5
197.85391	1.6
208.16867	2.2
210.14877	68.1
211.13223	1.9
218.15358	4.0
226.17953	2.2
227.12802	3.3
228.15906	15.9
234.30020	1.5
236.16487	6.7
238.14323	2.9
243.21071	5.9
249.14790	3.0
254.17540	12.7
261.22171	15.9
267.15897	91.5
268.16263	2.7
268.18872	2.2
282.16998	3.5
284.18460	1.9
285.17117	1.9
301.25192	3.3
302.19647	8.2
312.18002	4.7
317.24759	2.9
330.18994	2.7
335.25769	100.0
336.25970	3.4
348.20145	4.5
356.20483	8.0
435.32632	2.7
453.33499	4.8
520.51819	2.0
527.37323	49.3
528.38013	1.8
545.38342	20.3
546.38184	1.9
562.40857	9.7
572.39136	1.9
588.42914	3.5
590.40509	14.8
608.41431	24.7
616.41205	6.2
634.43164	24.8
652.43616	2.2
796.48468	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	811.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	0.7
57.03436	2.4
57.07057	0.6
59.04985	0.9
61.02921	5.5
65.03930	0.6
66.15773	0.3
67.05500	6.6
69.03426	3.4
69.07065	3.4
70.06587	0.5
70.54059	1.1
71.01340	0.4
71.04986	2.4
72.93779	0.8
73.02904	4.9
79.05486	5.3
81.03410	5.9
81.07048	6.3
83.04985	1.5
83.08617	1.2
85.02895	5.0
85.06543	0.5
86.06069	0.4
87.04475	0.9
88.60832	0.3
90.94829	0.4
91.03952	3.2
91.05475	5.6
93.07043	5.0
95.04959	2.4
95.08600	2.9
97.02881	4.7
97.06528	1.4
97.10146	0.7
99.04431	0.9
101.02358	2.4
103.03957	0.5
105.07023	4.1
107.04954	1.0
107.08595	2.9
107.19080	0.4
109.02884	0.6
109.06528	0.7
109.10155	1.3
111.04470	0.5
111.08075	0.6
115.05424	0.6
117.07002	1.3
119.08556	2.5
121.06512	0.7
121.10126	2.4
123.08089	0.5
125.09645	0.7
127.03935	2.0
129.05505	0.4
129.06998	1.2
131.08551	1.9
133.10115	2.7
135.11697	1.2
136.07550	0.4
142.07776	0.6
145.10127	0.7
147.11691	1.7
149.09618	1.9
157.10179	1.6
159.11714	0.6
165.12787	0.6
166.22162	0.4
171.11748	0.4
172.95258	0.4
175.11162	0.8
177.12756	0.5
184.07362	0.6
185.04320	0.7
186.96785	1.0
190.96393	0.4
193.12312	1.7
203.05368	0.8
204.97917	1.1
243.08414	4.2
267.15994	0.6
269.12775	0.5
283.06348	1.2
283.15192	4.0
295.00171	0.5
299.05743	0.4
331.13528	0.6
333.17075	0.9
333.20749	2.0
339.17935	1.2
347.12988	0.8
351.18539	1.5
389.23038	0.5
439.19684	1.1
441.21252	0.5
453.21115	1.1
469.20352	1.3
501.23550	12.4
551.28369	7.8
555.41174	0.4
613.42413	0.6
721.37787	2.3
796.62018	0.5
811.44397	100.0
812.44879	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	810.5053
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06590	1.2
61.02911	0.3
68.05016	2.1
68.15794	0.3
69.07057	0.7
69.50290	0.3
70.06588	51.5
70.16766	0.9
70.17164	0.5
71.04997	0.7
71.06919	0.4
72.04513	0.6
72.08153	10.2
73.02909	1.3
79.05495	0.5
81.03378	0.5
81.05801	0.4
84.04514	0.9
84.08138	7.7
85.02892	0.5
86.06063	1.0
86.09697	3.6
87.04471	1.2
88.07619	2.6
89.06026	10.4
89.06556	0.6
91.05468	0.4
94.06570	0.4
95.77066	0.3
96.08131	3.7
98.06115	0.3
98.09698	1.1
98.20770	0.3
101.07146	0.6
105.07046	0.5
107.04975	2.0
107.07084	0.5
108.33346	0.3
110.07162	1.1
112.07606	1.5
114.09160	47.0
115.09478	0.3
116.10740	0.8
120.08102	0.8
121.02863	0.4
121.06480	0.8
129.10255	1.2
132.10231	1.3
133.08601	0.7
136.07613	0.3
137.05908	0.4
140.10667	0.6
158.11778	1.7
176.12871	1.1
192.06654	0.3
202.14359	1.7
203.07442	0.3
204.06613	0.4
220.15352	0.8
246.17014	0.7
264.18033	2.3
290.19690	0.5
291.94846	0.3
308.20657	3.3
330.57446	0.4
331.08060	0.6
352.23193	2.9
381.07550	0.3
396.25885	2.4
440.28461	2.6
484.31171	2.2
528.33740	1.7
572.36139	0.8
573.27063	0.4
727.33301	0.3
810.50494	100.0
811.50433	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	810.5278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07065	0.3
58.06607	0.5
58.91584	0.2
60.07882	0.4
60.08164	5.8
66.22708	0.3
71.07375	3.7
71.08630	0.4
86.09706	30.3
87.86274	0.3
89.06044	0.5
95.08620	0.3
98.98466	4.1
104.10744	2.2
105.07007	0.3
107.08550	0.2
108.85941	0.2
113.24069	0.3
119.08587	0.3
125.00006	20.3
133.08600	0.3
143.01038	0.5
155.99185	0.2
184.07343	100.0
185.07683	1.0
206.21121	0.3
256.41138	0.3
313.27255	0.4
516.30499	0.3
637.87836	0.3
669.45905	0.3
774.50354	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	809.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94296	0.9
56.96568	1.0
65.03934	0.9
69.66993	4.6
70.06582	2.6
70.95863	1.2
72.08136	1.0
72.93777	7.1
75.29181	0.6
79.05480	1.8
80.05074	0.6
81.03406	3.3
85.02908	2.4
88.96910	0.7
90.94799	5.1
91.05490	6.4
95.04964	3.3
97.02881	2.9
98.21467	1.1
98.97575	0.8
107.04943	94.8
108.05281	2.4
108.95851	2.2
109.02885	0.8
119.04926	19.0
123.04417	0.9
127.03896	0.9
128.96332	2.8
130.97905	0.9
132.95818	6.2
134.97430	1.1
140.96353	0.7
144.95779	3.8
144.99461	1.7
146.97395	3.5
147.04393	100.0
148.04729	2.1
148.98953	0.8
150.96912	3.6
150.97977	0.7
152.96327	1.7
156.95819	3.3
158.97382	9.1
158.99544	1.0
162.96907	2.6
162.98402	5.9
163.00484	2.5
166.97827	1.3
168.95821	2.1
170.97359	2.4
172.95313	1.1
174.96869	6.3
176.98448	8.1
177.00691	1.1
177.02122	0.9
178.97884	19.7
180.98000	1.2
180.99452	10.9
184.98946	0.8
186.96877	7.1
188.98395	1.9
190.96327	1.8
190.97926	1.7
192.97890	2.0
192.99519	2.0
194.97429	4.7
196.98946	20.9
198.96877	6.0
202.97884	2.9
202.99974	1.7
204.96089	0.7
204.97903	2.0
206.97458	0.8
208.98895	2.3
211.00523	1.3
212.98381	4.8
216.97867	12.2
216.99687	1.3
218.97408	20.4
218.99242	0.7
219.01160	1.4
220.00462	1.3
220.99001	5.5
222.96880	1.8
224.98396	1.9
229.01483	0.7
232.99065	1.8
234.98961	49.6
236.98422	16.3
237.02303	1.0
243.03133	0.8
244.98849	1.3
247.00459	1.1
247.04147	1.3
251.00339	1.0
252.97757	1.5
253.00031	6.8
254.99387	3.8
258.00659	2.3
259.00629	0.9
260.98477	7.6
262.99954	5.4
264.97775	1.5
272.98450	3.5
273.02167	0.9
276.97858	3.9
277.01093	1.2
278.99478	1.7
281.02878	5.8
286.99911	5.0
289.03735	0.8
290.99414	1.9
292.99448	7.6
294.98923	6.0
297.00488	1.9
299.03516	1.6
301.00089	3.4
302.99557	4.6
304.95905	1.3
305.00580	3.3
306.98898	2.7
309.04010	2.4
313.00061	4.1
314.99411	2.7
319.01111	12.0
321.00562	4.5
321.03876	1.2
323.02087	14.2
325.01596	12.5
333.00623	1.6
334.98383	7.8
337.02292	1.4
339.01492	1.1
343.02640	15.1
345.00195	1.5
352.99457	3.4
353.03244	0.9
363.01553	6.7
365.05197	2.6
366.04144	1.5
367.04712	10.4
372.98340	1.9
374.97824	2.0
375.02274	0.8
377.01611	6.3
380.02734	0.8
381.02628	71.2
382.02948	1.9
390.99496	26.3
392.98801	3.7
395.02438	1.7
399.03571	4.3
408.06619	0.8
409.00610	4.7
410.99753	1.0
421.19067	0.7
422.05219	2.8
425.05087	1.7
427.04633	2.6
432.01965	1.5
469.04089	2.3
487.06870	1.8
497.03625	1.4
499.02530	1.3
537.03015	1.5
555.03790	1.3
661.08319	0.9
715.35913	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.4833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.0
57.07071	1.2
61.02923	4.9
61.13194	1.0
65.03931	1.2
67.05162	1.5
67.05501	20.9
69.03418	5.9
69.07059	4.8
70.06590	1.8
71.60038	1.1
73.02920	4.0
79.05484	19.9
80.05042	1.0
81.03410	1.7
81.07050	15.3
82.06564	4.3
83.04976	1.5
83.08629	1.3
84.04518	5.5
85.02904	2.5
86.06061	24.2
86.09706	2.9
87.04457	5.1
89.06020	1.3
91.03957	1.5
91.05468	9.9
93.07037	16.3
94.06584	1.1
94.56901	0.8
95.04955	5.0
95.08601	10.3
96.08163	1.2
97.02875	3.1
97.06536	0.8
98.06040	8.4
104.07076	1.0
105.07016	7.7
106.06558	1.0
107.04948	2.9
107.08585	9.3
108.08120	2.0
109.06496	0.9
109.10155	3.1
110.06031	18.3
111.08121	1.4
117.06985	6.6
119.08582	3.7
120.08133	1.7
121.06514	1.4
121.10162	4.6
122.06001	1.0
122.09647	1.3
123.11735	1.3
124.07582	3.1
125.00017	1.8
129.06956	1.8
131.08572	3.9
133.08609	1.3
133.10133	1.6
134.05998	1.4
134.09657	0.8
134.78844	0.8
135.11671	7.1
136.07613	0.9
138.09145	3.3
140.10719	1.4
145.06444	1.1
145.10104	21.1
147.08035	1.3
147.11697	1.7
148.07538	1.1
150.09117	30.3
155.08560	4.7
162.09071	6.2
163.11165	23.4
164.10718	1.6
166.08618	7.3
166.12285	1.4
173.09610	9.6
174.09099	2.0
178.08618	71.1
179.08858	0.9
180.13797	3.0
184.07330	15.4
188.10695	0.9
190.12265	4.0
191.10649	8.9
192.10219	3.4
193.12157	1.2
202.16023	1.1
208.13313	18.2
212.14333	0.9
220.16904	1.0
230.15399	18.0
230.17581	1.7
240.13901	5.9
248.16452	13.3
258.14880	38.6
261.22134	1.1
264.15921	2.2
266.17523	13.1
270.00476	0.9
276.15918	43.2
282.16946	2.6
294.16965	21.4
303.80017	0.9
312.18164	3.9
322.20212	3.4
335.25754	12.1
340.21115	1.1
350.19611	22.0
368.20648	50.3
386.21683	31.7
429.17880	1.1
567.30042	4.6
610.40851	4.1
628.41791	17.3
629.04596	1.0
646.43066	100.0
647.42957	2.8
678.60925	1.0
706.12567	1.1
790.51721	1.0
808.55627	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	807.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	1.3
57.03417	1.2
61.02906	2.1
65.03945	1.6
67.05496	3.9
69.03420	3.3
70.06582	14.0
71.60164	2.1
72.08155	3.5
79.05481	3.7
80.05000	2.2
81.03420	5.9
81.07034	1.9
84.04461	3.2
84.08117	3.8
84.81926	1.1
85.02903	7.6
85.89165	1.3
86.09692	5.0
91.05472	4.5
93.07034	5.6
94.06568	6.7
95.04972	2.9
95.07349	3.2
96.08119	7.9
97.02878	4.2
97.06529	2.3
98.06047	2.0
100.76914	1.2
105.07040	1.4
106.06525	3.1
107.04955	8.4
107.07349	1.5
107.08580	1.7
108.08126	12.4
110.07171	1.9
110.09679	11.8
114.66840	1.4
116.04976	1.6
120.04454	3.9
120.08117	11.7
121.06490	2.0
122.06041	9.9
122.09651	3.6
124.07597	7.1
129.10194	1.4
133.06155	1.6
134.05959	1.9
136.06619	2.2
136.07573	24.5
138.05464	1.8
138.08122	1.6
138.09135	20.4
144.04414	3.9
144.08096	1.3
146.06006	6.5
146.09656	1.3
148.07559	17.9
150.09154	11.0
152.07050	20.7
160.03938	3.1
160.07610	1.9
162.05473	3.2
163.03827	1.5
164.07031	6.3
166.08638	48.1
167.09119	1.7
172.03937	21.0
174.05618	1.4
174.09146	1.7
176.07054	2.8
178.08635	1.4
190.04993	15.0
193.12132	1.2
194.08249	1.4
198.11545	1.6
204.06561	27.6
210.11545	3.7
211.12248	6.5
212.13046	1.4
213.47113	1.2
218.08092	3.0
220.09891	1.5
223.12282	5.8
224.09460	1.7
225.08305	1.3
225.10228	5.1
225.13840	3.0
226.11005	4.4
227.11772	4.5
235.08611	2.0
236.09340	1.9
236.13141	1.5
237.10245	8.7
237.13887	1.4
238.10936	6.6
239.11781	10.8
241.13445	1.9
249.10205	7.8
250.10927	7.9
251.07954	1.5
251.11803	15.0
252.08846	3.0
252.12611	3.1
253.09673	3.9
253.13225	3.7
255.11212	4.6
256.12067	3.2
257.12845	1.5
259.09543	1.4
262.10986	2.3
263.11771	20.7
264.08932	4.2
264.12527	5.0
265.09735	9.2
265.13248	9.0
266.10452	4.9
267.08725	1.8
267.11288	16.5
267.15738	2.3
268.11957	1.9
269.12778	5.9
271.11084	2.4
271.14368	7.1
273.12283	5.6
277.09671	3.0
277.13345	2.3
278.10501	4.3
279.11230	24.5
280.12027	5.1
281.12863	8.3
282.13629	1.7
283.10803	8.8
283.13846	1.6
284.11569	8.6
285.12311	36.5
287.13931	2.0
289.15512	2.8
291.11258	14.2
292.12088	3.3
293.09470	2.7
293.12744	16.3
295.10684	5.1
295.14035	1.8
296.11496	5.0
297.12302	43.2
298.12930	3.7
299.13931	7.6
307.10986	2.4
309.12347	18.8
310.13052	3.7
311.05484	2.4
311.10199	4.7
311.13831	3.6
313.11697	1.7
316.14294	1.6
319.10812	11.1
321.12430	11.0
322.97629	1.3
323.10220	12.1
325.11826	22.0
326.12430	1.5
327.13437	11.3
329.15149	1.4
330.15732	2.6
337.11795	56.5
338.12195	3.2
339.13577	6.0
341.11304	2.1
341.15024	2.7
342.15781	1.7
343.12823	4.8
346.18997	1.6
355.12711	2.3
357.14432	9.4
358.15140	1.4
359.16058	3.0
369.14722	4.1
370.15921	1.7
371.16083	2.2
372.17114	2.0
373.13907	1.4
376.16330	1.3
385.13876	1.8
386.14627	1.6
392.19580	2.5
400.16226	2.9
402.17743	2.4
404.19669	2.6
412.16187	2.0
414.18057	1.8
416.19678	1.6
418.17197	1.8
422.20810	2.4
424.16132	1.6
430.17517	8.6
432.19370	6.4
436.18442	2.3
442.17661	1.8
444.18842	1.6
446.20731	4.2
448.18640	25.8
449.19406	17.3
450.20178	11.2
451.18582	2.1
460.18762	15.2
461.19016	4.0
462.20074	3.6
472.18524	3.5
474.20200	3.5
476.18143	6.8
477.18884	9.8
478.19626	9.4
478.27969	1.5
480.21359	2.4
487.17114	6.1
487.34641	1.6
490.19681	41.1
491.20035	4.2
492.21100	7.9
509.48520	1.6
522.22333	10.8
523.22870	3.2
567.25159	2.4
595.25250	11.3
608.25391	1.7
611.24335	4.3
612.25696	6.3
613.26532	100.0
614.26910	7.8
634.23389	3.6
645.28912	9.6
652.25000	24.5
653.25830	9.6
654.26239	4.7
684.27081	6.2
685.28204	3.5
739.28070	1.7
757.29816	1.8
775.31940	21.6
776.31854	2.0
807.33728	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	807.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.8
61.02930	0.8
61.27119	0.1
69.03420	1.6
69.34028	1.5
70.06557	0.7
71.01316	0.2
71.04988	8.7
73.02877	0.4
75.04436	0.2
76.41550	0.1
79.05448	0.2
81.03416	1.1
81.07021	0.2
83.04962	0.5
84.08105	0.2
85.02899	12.5
86.09668	0.5
87.04446	0.4
91.03888	0.2
93.00984	0.1
93.06997	0.2
95.04970	0.3
97.02901	1.2
99.04423	0.4
107.04963	0.9
109.02880	1.1
110.07124	0.2
111.04397	0.4
120.08067	0.4
121.02859	6.5
127.03862	0.7
129.05475	2.1
129.10210	0.3
133.10136	0.2
135.04359	0.3
137.05933	0.2
138.05490	0.2
145.04959	0.3
145.06308	0.1
147.06487	0.6
153.07011	0.2
161.02293	0.3
169.06552	0.4
173.05930	0.2
177.01796	0.8
181.06491	0.4
183.04393	2.4
187.07587	0.2
195.02869	5.2
201.05452	0.3
202.33365	0.2
207.02782	0.2
209.05881	0.4
211.67433	0.2
227.07024	0.2
231.83305	0.1
237.05382	1.4
238.05878	0.2
255.06497	2.4
279.11258	0.2
293.04413	0.3
299.05411	0.8
311.05463	100.0
312.05783	1.5
341.06613	0.2
393.09564	0.6
405.09662	41.8
406.09952	0.8
499.13837	37.6
500.14041	0.9
526.35760	0.2
539.15277	0.3
555.15356	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	19.5
57.07069	2.3
59.04985	2.2
61.02914	3.2
65.03918	3.9
67.05497	78.0
69.03419	11.9
69.07063	32.0
71.04988	10.0
71.08614	1.6
73.02927	2.0
79.05483	66.2
81.03407	88.9
81.07046	68.2
83.04970	15.9
83.08611	31.9
85.02878	5.8
85.06530	4.9
91.05470	65.0
91.93108	1.8
93.07031	55.9
95.04954	39.5
95.08591	33.7
97.02880	9.6
97.06094	1.3
97.06533	14.7
97.10154	22.5
99.04476	1.7
99.08067	3.1
105.07019	49.5
107.04938	14.5
107.08584	45.2
109.02888	2.6
109.06502	13.5
109.10145	21.9
111.04420	2.9
111.08074	10.9
115.05429	3.2
117.07000	18.1
119.08559	32.5
121.06480	8.5
121.10121	23.1
123.04414	2.2
123.08046	7.1
123.11706	3.6
125.09616	21.2
127.03876	2.5
128.06200	3.9
129.05573	1.7
129.06982	18.8
131.08546	26.3
133.06470	5.8
133.10106	27.8
135.08064	7.8
135.11671	16.0
137.09615	6.5
141.06973	3.7
142.07802	5.1
143.08574	9.3
145.06490	5.4
145.10094	19.3
147.08014	6.0
147.11685	18.4
149.09596	16.2
149.13232	6.6
151.11214	3.5
153.09103	2.6
155.08534	2.3
157.10100	18.6
158.29292	1.5
159.08054	2.8
159.11659	12.0
161.09625	4.9
161.13252	4.3
163.11169	9.8
165.12802	2.9
167.08565	2.8
169.10103	4.0
171.08040	3.2
171.11688	6.1
173.09654	3.1
173.11798	3.1
173.13245	6.2
175.11174	10.3
175.14867	2.6
177.12737	5.7
181.10052	2.7
181.12303	1.8
183.11676	4.6
185.09677	1.7
185.13260	4.4
187.11140	3.8
189.11226	13.7
193.12207	26.4
195.11665	3.2
195.13657	1.9
197.13222	4.5
197.31396	1.7
199.14738	1.7
201.12691	2.2
211.13258	3.4
217.15826	1.8
219.13777	1.5
223.13156	2.4
227.12720	17.3
229.14334	5.7
239.18002	3.1
245.13800	3.2
247.17305	1.7
247.20497	3.1
249.14755	3.6
253.14340	2.9
255.15796	13.1
257.18933	4.7
267.15891	100.0
269.17487	23.8
273.18436	1.9
275.20029	30.5
275.22781	2.9
291.19470	9.4
293.21066	4.0
299.20020	2.4
301.14441	3.0
313.21555	3.7
315.23227	2.8
331.22876	2.1
347.22183	2.9
349.23749	28.0
355.22290	2.1
367.24884	3.3
369.23953	2.8
387.25409	3.5
419.24210	4.4
421.25787	7.4
431.29282	2.7
435.27216	1.9
437.25195	2.1
443.27802	10.2
447.27405	34.8
449.30258	5.5
459.27124	2.7
461.28964	86.3
462.29437	2.8
467.31360	5.0
475.30466	2.1
477.28497	2.2
479.30368	2.2
485.32870	2.1
493.31619	11.2
501.32324	3.8
519.33362	2.6
523.33856	4.6
541.35284	70.1
559.36200	27.2
569.30933	1.9
573.38794	2.0
587.32208	1.9
591.36273	3.1
605.32794	1.8
700.21448	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	16.3
57.07050	4.6
61.35997	3.2
67.05505	56.2
69.07054	10.7
70.01405	9.7
70.01804	7.1
79.05495	36.0
81.03398	5.8
81.07050	40.2
82.76704	3.6
83.04975	7.1
83.08609	5.1
84.08925	3.9
85.06531	15.6
86.09692	6.5
87.04444	4.7
89.06004	4.5
91.05482	26.2
93.07046	29.3
95.04968	52.2
95.08606	26.1
97.06525	5.8
99.45059	3.6
105.07025	59.1
106.07360	6.1
107.04965	7.4
107.08572	21.3
109.06509	45.5
109.10152	8.9
113.06014	20.2
117.07036	10.2
119.08584	13.0
121.06474	5.4
121.10126	10.8
124.99990	6.5
125.09528	4.2
129.06984	5.9
131.08556	15.2
133.08606	6.9
133.10112	6.4
135.08034	34.6
135.11708	6.5
143.08534	7.8
145.10110	10.9
147.08084	5.3
147.11726	5.3
149.09599	5.6
149.13354	4.0
149.49292	3.6
157.10094	5.3
159.11644	7.0
161.09613	8.7
171.11653	5.3
184.07364	24.1
217.15871	11.3
273.18469	31.2
291.19562	100.0
334.65314	5.0
335.25781	42.7
347.22232	6.1
349.29526	4.1
365.23227	15.2
607.43463	6.6
625.44440	52.8
626.44446	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	804.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.2
59.05008	0.3
61.02925	0.2
65.03948	0.2
67.05503	1.0
69.03418	0.3
69.07066	0.2
69.25697	2.4
69.86584	0.2
71.04964	0.4
73.02903	1.0
73.06554	1.5
77.03929	0.7
78.40331	0.2
79.05484	6.8
79.05956	0.3
80.05850	0.2
81.03417	0.5
81.07041	0.9
83.08604	0.3
87.03924	0.2
87.04461	8.4
89.06022	50.7
90.06365	0.4
90.56030	0.2
91.05471	10.5
91.07612	0.4
93.07051	2.1
95.04960	3.4
95.08595	0.4
103.05456	7.1
103.06129	0.5
104.73469	0.2
105.07020	100.0
106.07333	1.6
107.04943	2.5
107.07053	2.5
107.08569	0.4
109.10144	0.5
113.05991	0.3
115.05428	0.4
116.06227	0.7
117.07009	2.1
117.09128	1.0
119.04937	1.4
119.08569	5.2
121.06492	15.8
121.10123	0.6
122.06825	0.4
128.06190	1.1
129.06987	4.0
130.08620	1.4
131.07066	2.5
131.08553	8.7
132.05696	1.0
132.08919	0.3
133.06470	0.9
133.08591	32.3
133.10004	1.4
134.08928	0.3
135.08051	0.8
135.10188	0.3
141.06981	0.2
143.08609	0.4
145.06487	1.3
145.10104	0.3
147.08032	39.5
148.08377	0.9
149.09604	7.7
151.09630	0.3
155.06044	0.2
157.10132	0.3
159.11565	0.2
161.11720	0.2
163.07523	0.3
163.11198	0.6
165.06990	0.5
165.09108	0.9
166.07756	0.7
167.08597	0.3
173.09647	0.9
175.09683	1.8
175.11086	0.3
175.54335	0.2
177.11214	10.7
178.07776	0.5
178.11476	0.2
179.08536	0.8
181.10112	1.4
184.07309	0.2
191.10632	0.7
192.09279	0.4
193.10623	0.3
193.12280	0.4
195.11768	0.3
196.08931	0.2
207.11720	0.6
208.08798	0.6
209.11644	0.6
209.13359	0.2
219.12085	0.4
221.13858	1.7
222.10265	0.3
223.11142	2.2
225.12717	19.2
226.13098	0.7
227.12764	0.4
235.11209	0.2
239.14740	0.4
249.12749	2.8
251.14314	2.7
253.14185	0.2
255.15787	0.2
265.16550	0.3
267.13754	0.5
267.18088	0.3
269.15335	3.1
271.15414	0.3
283.17511	0.4
295.17050	0.3
299.18201	0.3
311.16260	0.7
311.48038	0.2
311.58304	0.2
313.17923	1.1
313.57083	0.2
315.18008	0.5
327.16943	0.5
327.20380	0.4
329.18982	0.5
351.13525	0.2
373.16833	0.3
373.21591	6.2
374.21884	0.7
579.34393	0.2
624.42914	0.3
625.43610	0.3
638.93695	0.2
683.39386	0.7
787.45758	0.8
804.46423	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05797	0.7
57.03434	10.0
57.07037	1.0
65.03929	2.5
67.05498	31.2
69.03423	9.2
69.07062	23.4
70.01662	3.2
70.92771	0.6
71.05002	3.6
77.03886	0.9
79.05486	29.1
81.03412	58.4
81.07049	25.8
83.04979	6.4
83.08614	19.1
85.02913	2.3
85.06516	2.3
91.05472	27.2
92.05798	0.8
93.06468	1.3
93.07039	20.2
95.04966	22.9
95.08600	12.4
97.02888	10.5
97.06512	4.2
97.10165	14.5
99.04458	0.9
105.07023	22.2
107.04958	11.6
107.08583	14.5
109.02875	2.0
109.06503	4.0
109.10139	8.5
111.04440	2.0
111.08070	5.3
112.73257	0.9
113.05975	0.8
115.05460	1.9
116.06194	1.0
117.07001	7.4
119.04996	1.1
119.08567	18.1
119.09344	1.3
121.02866	0.9
121.06486	6.5
121.10134	10.2
123.04372	1.4
123.07304	0.7
123.08038	4.3
123.11696	2.4
125.09624	9.7
128.06253	1.9
129.06996	11.6
130.51753	0.8
131.08553	14.2
132.08955	0.9
133.06496	3.9
133.10130	9.1
134.07228	1.1
135.08051	4.4
135.11690	2.6
137.05971	1.3
137.09612	2.6
138.48346	0.8
141.06946	1.6
142.07773	2.4
143.08548	4.2
145.06480	2.0
145.10101	7.1
146.10426	1.2
147.04228	0.8
147.08026	7.4
147.11667	8.0
147.91603	0.9
149.02322	2.2
149.09589	5.8
149.13245	2.3
151.11121	1.2
153.09148	2.0
157.06447	0.8
157.10124	9.8
159.07997	1.3
159.11668	4.6
161.09608	3.4
161.13164	0.9
163.11166	2.6
165.09262	0.8
165.12711	0.9
169.10124	1.6
169.12346	1.3
171.11638	1.5
173.11803	1.0
173.13176	0.8
175.11140	7.4
177.12796	1.1
179.10710	1.0
183.11707	1.1
185.13231	1.1
189.11212	5.4
193.04951	1.6
193.12224	12.5
195.13707	0.8
205.12184	2.3
207.14178	0.8
211.13249	1.5
219.13779	4.0
223.13257	15.0
227.12727	8.9
235.27547	0.7
243.34521	0.8
245.18945	0.9
249.14799	3.8
249.41650	0.9
253.14423	2.2
267.15894	70.8
273.18503	11.3
275.20111	2.7
283.15250	1.1
291.19519	76.8
292.19913	1.6
313.21671	3.0
338.71588	0.9
347.22122	1.3
365.23209	48.6
385.23767	1.9
389.23151	1.3
437.25433	1.1
445.25751	5.2
447.28983	0.9
459.27310	4.8
463.26300	1.1
477.28275	3.7
483.31180	1.0
529.35742	1.4
539.33685	6.2
557.34698	100.0
558.35095	2.8
575.35651	2.4
589.37628	0.9
599.35797	1.3
624.42926	1.0
652.34363	0.9
665.37244	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	30.8
57.07056	3.0
58.78729	2.5
61.02916	10.6
61.43745	2.3
64.67392	2.1
65.03928	10.6
67.05500	100.0
68.05818	3.6
69.03429	11.1
69.07068	25.6
71.04979	8.1
71.08614	2.5
71.60117	4.2
73.02910	4.5
79.05053	4.2
79.05489	71.3
80.05819	2.7
81.03419	18.1
81.07052	73.1
82.07366	3.2
83.04976	9.6
83.08607	16.4
85.02880	7.3
85.06549	13.2
86.09711	4.9
89.05969	3.2
91.03939	3.4
91.05475	78.2
92.05782	2.2
93.07037	68.0
94.07361	2.4
95.04963	75.1
95.08601	46.2
95.82313	2.1
97.02888	9.6
97.06535	14.7
97.10146	5.5
99.04447	4.3
103.05452	3.2
104.10767	5.0
105.04530	2.7
105.07026	74.9
107.04953	22.3
107.08582	43.1
109.06507	67.3
109.10133	18.3
111.08078	4.5
113.05990	43.7
115.05422	4.8
116.06239	3.0
117.07004	34.0
119.08568	51.9
119.97301	2.4
121.06491	11.8
121.10116	21.2
123.04390	4.3
123.08053	10.1
123.11697	2.8
125.09605	5.5
127.03855	3.4
128.06224	9.4
129.06995	22.6
130.07820	3.4
131.08556	46.6
132.08900	3.0
133.06474	3.6
133.10120	33.4
135.08049	44.1
135.11667	17.2
136.08401	2.2
137.09624	5.5
141.06979	5.9
142.07732	3.7
143.08554	22.2
145.06476	7.9
145.10114	36.7
147.08018	10.8
147.11679	19.6
149.09566	12.1
149.13243	9.1
151.11186	3.3
155.08528	6.9
157.10103	18.1
159.08078	3.3
159.11678	26.7
161.09592	12.1
161.13210	11.5
161.32939	2.2
163.11168	9.4
167.08524	4.1
169.10089	12.0
169.12210	2.2
171.08067	2.5
171.10312	3.0
171.11624	15.4
173.04529	2.6
173.09578	4.4
173.11853	2.7
173.13240	14.5
175.11169	5.7
175.14870	8.1
177.12753	7.7
181.10098	6.2
183.11667	9.5
184.07344	8.1
185.13257	10.3
187.11191	4.7
187.14813	5.7
189.11224	3.0
195.11755	5.7
195.13788	4.8
197.13252	7.9
199.11221	4.3
199.14828	9.3
201.12733	4.4
201.16454	4.7
203.14307	3.7
207.11736	3.9
209.13261	3.5
211.11098	3.1
211.14816	4.8
213.12837	3.9
213.16397	3.5
215.17969	5.4
217.15919	11.2
227.17970	4.8
231.21031	3.1
234.87120	2.8
235.14824	2.9
237.16443	3.4
239.18124	4.2
241.14246	3.0
241.19516	11.8
245.18875	3.3
255.17569	4.0
257.19012	6.5
259.20505	17.1
273.18457	33.4
274.18765	4.0
275.19980	9.8
279.15918	15.1
291.19525	74.3
292.19714	2.9
315.23129	5.9
327.26944	2.9
329.24600	2.6
333.20410	2.8
333.24210	35.0
335.24844	2.0
347.22226	8.9
349.23492	6.5
365.23325	16.2
439.16501	2.4
452.23071	2.8
478.38321	2.9
513.36609	6.0
531.38367	4.9
543.36212	2.4
549.38983	3.3
565.38586	3.4
567.40295	3.7
605.42230	16.1
623.42963	81.0
641.43982	20.5
785.48779	4.9
803.48535	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	803.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	15.3
59.05000	5.1
61.02917	17.5
65.03931	4.3
67.05499	95.6
69.03432	20.8
69.07063	44.7
71.04988	11.3
71.58695	5.0
73.02920	5.0
79.05482	75.0
81.03409	31.2
81.07047	78.9
83.04974	17.4
83.08619	31.5
83.94320	3.6
85.02896	18.5
85.06527	5.6
89.06003	10.6
91.03977	4.7
91.05473	76.3
93.07039	74.3
95.04955	31.9
95.08599	50.9
97.02891	16.5
97.06500	19.8
97.10161	36.6
99.08086	4.5
105.07019	100.0
107.04958	17.8
107.08596	45.0
109.02892	5.7
109.06531	15.4
109.10156	30.3
111.08101	8.0
113.15504	4.1
115.05466	7.5
117.07001	35.8
119.08566	59.3
121.06504	13.6
121.10141	26.6
123.04431	4.5
123.08053	16.0
123.11729	5.9
125.09626	31.2
127.03905	4.9
128.06209	5.1
129.07004	27.0
131.08560	45.6
133.06508	8.7
133.08589	6.0
133.10100	41.8
135.08078	14.1
135.11710	16.3
137.09631	7.6
141.06992	11.6
142.07800	5.2
143.08580	25.4
145.10100	42.9
147.08047	10.8
147.11693	27.5
149.09618	10.5
149.13266	8.1
153.09161	4.3
154.07816	4.2
155.08578	19.0
157.10051	23.6
159.11714	25.5
161.09557	6.7
161.13222	19.9
163.11212	6.5
165.07037	5.1
167.08568	8.5
169.10121	13.6
169.12192	5.4
171.10358	4.3
171.11673	20.9
173.09641	5.3
173.13255	23.8
175.11172	10.2
175.14819	11.3
177.12697	4.5
181.10133	8.5
183.11693	17.7
184.07330	6.9
184.90288	4.1
185.13280	13.5
187.14812	11.7
189.11252	17.5
193.12251	11.8
195.11691	11.6
197.13287	16.3
199.11218	5.7
199.14752	9.8
203.14151	5.0
207.11717	5.3
209.13318	6.5
211.13161	8.8
211.14902	6.8
219.13872	3.8
221.13255	7.4
223.13118	5.9
223.15031	6.6
227.12704	22.8
235.14900	4.8
239.17874	6.8
241.19568	14.5
251.17957	5.4
257.19016	8.3
259.20456	27.5
259.96844	4.1
267.15814	8.0
271.17004	4.7
273.18475	13.8
275.20053	10.0
285.16986	4.7
285.22208	4.7
289.17923	4.4
291.19507	57.0
301.21667	6.7
317.17874	5.7
333.24451	21.3
365.23068	20.5
379.29953	6.1
397.30795	6.6
441.26385	5.2
511.34409	5.7
513.36395	7.8
525.35547	12.8
529.35272	10.3
543.37006	25.9
549.38983	6.3
605.41846	17.6
623.33234	5.8
623.42993	86.6
641.43994	37.2
785.47852	7.5
803.49432	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	803.493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	19.8
57.07065	4.0
61.02907	11.0
63.67942	3.2
65.03922	5.5
67.05173	6.7
67.05502	96.2
69.03421	24.0
69.07050	46.1
71.04977	12.1
71.59719	3.7
73.02906	9.0
78.93610	3.1
79.05492	85.9
81.03410	43.9
81.07054	96.1
83.04967	18.6
83.08595	18.8
85.02897	23.3
85.06533	9.9
87.04452	6.5
89.06030	15.9
90.68578	3.4
91.03928	5.8
91.05476	89.8
93.06465	4.9
93.07036	75.4
95.04969	23.0
95.06073	3.9
95.08599	65.1
97.02877	20.2
97.06518	27.4
97.10155	15.4
99.04438	7.9
99.08081	6.0
103.05486	3.3
105.04560	3.4
105.07024	100.0
107.04947	28.1
107.08582	58.2
109.02868	12.0
109.06506	16.6
109.10149	38.8
111.04424	6.8
111.08063	9.7
115.05402	6.4
117.07004	32.9
119.08575	58.8
121.06463	9.9
121.10146	29.4
123.04391	4.3
123.08041	10.5
123.11693	7.5
125.09609	11.9
127.03880	10.2
128.06157	5.3
129.07050	19.3
131.08566	39.6
133.06422	3.8
133.08575	10.0
133.10123	45.0
135.08121	16.3
135.11687	19.1
137.05965	7.6
137.09592	13.3
137.37781	3.4
141.06963	7.0
143.08559	15.5
145.06462	8.1
145.10117	42.7
147.08057	8.2
147.11671	27.3
149.09639	24.1
149.13252	8.8
149.78482	3.4
154.07652	3.2
155.08470	7.7
157.10129	18.6
159.08070	4.4
159.11690	32.5
161.09604	9.3
161.13219	15.5
163.07489	5.0
163.11137	14.6
165.12701	5.7
167.08589	6.7
169.10098	14.9
171.11647	14.0
173.04419	11.6
173.11819	6.6
173.13245	14.7
175.11206	7.4
177.12758	4.2
179.14284	6.6
181.10147	7.4
183.11687	14.8
184.07332	6.0
185.09557	4.9
185.13226	8.4
186.02670	3.4
187.11153	4.3
189.11182	9.8
195.11772	4.7
197.13300	10.1
199.14772	4.7
207.11612	4.8
209.13234	6.5
211.14857	4.8
213.16228	4.1
219.17453	4.3
223.14960	3.9
227.10747	3.3
227.12752	13.1
227.17978	4.3
229.14372	11.1
234.04939	3.4
239.17905	9.9
247.20421	6.9
257.18930	16.3
267.15903	4.3
273.18448	9.2
275.20084	81.5
291.19577	10.8
293.20981	8.9
313.21930	4.0
349.23758	37.6
367.24670	7.3
383.22165	3.4
395.29364	3.8
503.33078	5.5
543.36572	15.3
549.39471	5.4
605.41644	10.3
623.43115	43.7
635.39923	3.9
641.44354	40.8
785.47650	7.9
803.48199	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	0.3
59.12952	0.2
63.78108	0.2
67.05534	0.2
69.03413	0.2
70.95116	0.2
73.02911	0.2
73.06553	1.0
77.03915	0.5
79.05483	4.9
87.04463	5.6
89.06024	33.1
90.06363	0.2
91.05476	2.8
91.07558	0.4
93.07044	1.3
95.04972	2.5
98.21497	0.6
103.05461	5.4
105.07021	100.0
106.07362	1.0
107.04951	0.3
107.07056	1.2
115.05419	0.3
117.06979	0.5
117.09119	0.7
119.04950	0.4
119.08544	0.9
121.06493	6.1
128.06226	0.2
129.06998	1.1
130.08607	0.7
131.07056	1.8
131.08549	5.0
133.08591	21.4
133.10191	0.6
135.08043	0.2
142.91194	0.2
145.06377	0.4
147.08052	2.1
149.09615	1.0
155.08467	0.2
163.29053	0.2
165.06940	0.3
165.09114	1.1
166.07758	0.6
167.08459	0.2
173.09570	0.3
175.09741	1.0
175.11055	0.3
177.11206	6.4
181.10057	0.6
191.10591	0.4
192.09227	0.2
193.12186	0.2
209.11652	0.6
209.13368	0.3
221.13838	1.1
223.11121	1.4
223.15041	0.2
225.12715	6.1
226.13200	0.2
227.12787	0.3
230.92302	0.2
239.14691	0.2
242.15800	0.2
249.12691	0.5
251.14305	7.2
252.14470	0.3
253.16035	1.6
253.27599	0.2
265.16522	0.2
267.13815	0.5
269.12738	0.3
269.15363	3.9
271.15375	0.4
277.15704	0.2
283.17545	0.4
295.16809	0.2
295.63263	0.2
311.16391	0.6
313.18033	1.0
315.17941	0.3
327.17233	1.0
329.15210	0.3
329.19000	5.2
359.20358	0.3
371.19626	0.3
373.21591	3.0
386.11212	0.2
401.22537	0.2
403.23334	0.2
477.27597	0.9
491.28009	0.7
551.31519	0.2
595.34247	0.6
616.82861	0.2
621.23340	0.2
696.94409	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05005	0.2
64.78571	0.1
65.03922	0.1
67.05495	0.2
69.03432	0.2
69.07059	0.1
73.02921	0.2
73.06551	0.9
75.24542	0.1
77.03930	0.4
79.05481	5.3
81.03403	0.2
81.07037	0.1
87.04457	5.5
87.61764	0.1
89.06020	32.3
90.06343	0.1
91.05464	3.0
91.07588	0.3
93.07022	0.9
95.04966	2.5
95.08614	0.2
103.04773	0.2
103.05457	4.6
105.07017	100.0
106.07362	0.5
106.94582	0.1
107.04984	0.3
107.07056	1.8
107.08572	0.1
113.05952	0.2
115.05423	0.4
116.06202	0.2
117.06979	0.6
117.09121	0.6
119.04929	0.5
119.08529	0.5
121.06490	6.3
128.06189	0.1
129.06993	0.9
130.08640	1.0
131.07048	1.9
131.08548	5.0
133.08585	20.0
133.10196	0.5
134.09026	0.1
135.10112	0.1
141.06961	0.1
145.06462	0.4
145.10309	0.1
147.08032	2.3
149.09592	0.9
151.09587	0.1
155.08603	0.1
157.10132	0.1
163.07552	0.1
163.11153	0.1
165.07092	0.5
165.09088	1.5
166.07747	0.7
167.08562	0.2
169.10121	0.3
171.08002	0.1
173.09579	0.3
175.09631	0.8
175.11067	0.2
177.11198	6.4
179.08585	0.2
179.12949	0.1
181.10089	0.4
184.07364	0.1
191.10625	0.4
192.09261	0.2
193.10532	0.1
193.12230	0.2
194.10861	0.1
195.11998	0.2
197.09630	0.2
203.08551	0.1
207.11734	0.2
208.08922	0.1
209.11560	0.6
209.13316	0.4
211.13293	0.4
219.12213	0.2
221.13780	0.9
222.10294	0.1
223.11122	1.2
225.12709	6.8
227.12695	0.4
229.36467	0.1
235.12997	0.1
235.15082	0.2
239.14738	0.4
248.99120	0.1
249.12714	0.4
251.14279	8.3
252.14590	0.1
253.15988	1.8
255.15837	0.2
267.13730	0.3
267.17493	0.2
269.15329	3.3
271.15347	0.4
283.17432	0.4
295.16840	0.4
299.18396	0.1
311.16415	0.4
313.17914	1.1
315.17923	0.3
327.17270	1.3
327.20432	0.1
329.18945	5.3
353.18567	0.2
355.20380	0.2
357.20294	0.2
359.20526	0.3
371.19629	0.3
373.21588	2.8
375.21512	0.1
401.22806	0.1
403.23187	0.3
463.26544	0.2
477.27878	0.8
489.34671	0.1
491.28192	0.5
507.29208	0.2
533.79266	0.1
551.32202	0.2
595.34711	0.7
687.41412	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	802.5226
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.8
58.06604	0.5
60.08165	5.9
63.39655	0.4
65.35153	0.4
71.07375	4.3
86.09708	30.4
96.02631	0.4
98.98458	3.2
104.10739	3.6
125.00008	20.8
143.01044	0.7
149.07500	0.4
176.70816	0.5
184.07349	100.0
185.07672	0.7
525.85382	0.5
784.50568	1.3
794.53387	0.5
802.52533	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	803.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.7
61.02879	0.7
68.99789	0.9
69.03422	4.5
70.06549	0.6
71.01319	0.3
71.04989	6.2
71.05359	0.3
72.08133	0.3
73.02901	0.9
75.04434	0.2
81.03410	5.7
81.06990	0.2
83.04996	0.8
83.05370	0.2
84.08092	0.3
85.02897	13.3
86.09648	0.2
87.00826	3.1
87.04440	0.4
90.45821	0.1
91.03896	0.3
95.04923	0.4
97.02885	2.9
98.19222	0.1
99.03841	0.1
99.04445	1.9
103.03895	0.4
105.01852	2.5
107.01256	0.5
107.04945	0.9
109.02871	4.9
111.04401	0.5
115.05424	0.2
117.01790	0.6
117.06834	0.2
121.02822	0.5
127.03909	6.6
129.01779	0.6
129.05493	1.2
131.04874	0.2
135.04370	0.2
136.07622	0.2
137.02324	4.3
137.03329	0.2
139.03847	0.2
140.95767	0.1
141.01802	0.3
145.04944	2.4
147.02861	0.4
147.04163	0.2
147.06505	0.3
147.07770	0.2
149.02365	0.2
149.06023	0.2
159.02885	2.5
163.03877	0.8
165.01819	1.5
171.04337	0.3
172.03868	0.7
173.04208	0.2
173.05997	0.2
175.07442	0.2
177.03960	0.3
183.02899	1.3
185.05994	0.3
187.03850	0.4
189.03970	0.4
189.05420	1.3
199.03859	0.5
204.06500	0.8
205.06799	0.4
213.03723	0.2
213.05440	0.7
217.04968	1.6
227.03343	0.5
229.10782	0.2
231.04922	1.4
237.07472	0.3
241.04950	0.6
245.04440	2.5
254.01607	0.2
259.05939	0.6
269.04324	0.4
273.03879	0.4
287.05429	0.8
288.12268	1.8
289.12527	1.6
290.12881	0.4
297.03952	0.2
303.05057	0.3
311.12628	0.2
315.04947	58.9
316.05258	0.9
327.04968	0.5
345.06140	0.2
357.05838	0.8
381.06244	0.2
407.07608	0.3
409.09146	100.0
410.09473	2.3
433.09518	0.2
451.10300	1.1
475.10300	0.5
494.19714	0.2
517.11212	0.2
519.12988	0.6
537.13831	0.4
538.22150	0.2
551.09845	0.2
555.14941	0.7
639.13147	0.3
657.14429	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	14.7
57.07058	8.8
58.06592	3.5
59.04984	4.1
61.87542	2.9
65.03917	7.7
67.05499	100.0
67.31484	3.0
69.03426	40.9
69.07063	39.4
71.04972	13.7
71.08624	4.0
71.59570	3.7
72.04499	6.1
72.08139	8.3
79.05063	4.6
79.05490	80.5
81.03410	80.5
81.07051	98.3
83.04607	2.4
83.04990	22.3
83.08614	21.2
85.02895	17.4
85.06516	7.5
87.04441	3.9
89.06020	6.2
91.04956	5.6
91.05472	66.9
93.07033	55.1
95.01245	3.6
95.04959	38.0
95.08041	4.7
95.08603	51.3
97.02879	27.1
97.06531	18.1
97.10155	15.4
99.04443	9.5
101.06013	3.7
103.05460	4.2
105.03371	3.7
105.07023	78.4
105.92007	3.9
107.04926	21.2
107.08575	46.9
109.02858	10.4
109.06519	16.8
109.10154	35.7
111.04435	11.6
111.08039	9.0
115.05412	6.8
117.06998	30.4
119.08566	48.1
121.06477	14.1
121.10119	22.0
123.04429	3.9
123.08062	11.4
123.11670	7.8
125.09605	12.4
127.03913	23.2
128.06148	5.4
129.05502	6.7
129.07002	18.3
131.08554	42.5
133.06483	10.5
133.10107	46.8
135.04349	3.8
135.08044	14.8
135.11661	12.7
137.09619	7.0
140.10751	3.3
141.06981	9.0
143.08505	16.1
145.06468	7.2
145.10114	30.4
147.08018	14.7
147.11655	16.7
149.09618	19.7
149.13216	7.0
150.94724	3.4
151.11153	9.3
155.08571	9.4
157.10060	14.5
159.08011	7.4
159.11676	22.4
161.09637	11.2
161.13260	3.8
163.11211	8.7
165.09035	5.8
165.12662	3.8
167.08495	4.2
169.10046	5.8
171.08022	6.3
171.11656	11.7
172.95247	4.3
173.04469	37.1
173.09648	8.0
173.13246	7.3
175.11150	8.9
177.09030	4.0
177.12781	6.0
183.11647	8.2
185.09685	4.0
185.13242	9.8
187.11115	6.8
189.11131	7.7
189.12680	4.4
193.10156	4.1
195.13646	3.7
197.13191	6.4
199.14836	5.2
201.12788	4.3
209.13321	4.5
223.13159	4.0
227.12770	9.5
245.19014	4.4
247.20470	4.2
253.14197	9.0
257.18970	13.4
269.17551	5.6
273.18524	32.4
275.20020	45.8
291.19516	64.5
293.21057	6.1
313.21371	3.7
313.27390	4.6
314.27603	5.2
331.22723	4.6
336.28625	3.3
347.22113	14.8
347.71265	4.0
349.23633	16.5
365.23480	17.9
415.05893	4.1
541.34821	11.4
559.36481	6.7
575.43652	7.7
621.40796	13.6
639.42590	27.3
679.31805	3.9
703.39893	13.0
728.20874	4.0
783.46313	7.5
801.46320	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	1.7
65.03923	1.0
67.05502	4.8
69.07050	1.7
70.06597	7.5
71.04975	1.1
71.59671	0.9
71.60092	0.9
72.08131	2.0
73.02884	1.0
79.05478	3.1
81.03397	3.6
81.07034	2.9
83.08636	1.1
84.04489	1.9
84.08121	2.7
85.02890	2.7
86.09695	3.1
86.10193	0.9
91.03919	1.4
91.05459	3.3
92.04985	1.0
93.07032	3.0
94.06571	3.1
95.04933	2.7
95.07346	1.2
95.08609	1.6
96.08141	4.1
97.02861	0.9
97.06516	1.0
98.05962	0.8
105.06986	1.3
106.06555	13.8
107.04943	20.6
107.07301	2.4
107.08564	0.8
108.08110	6.9
109.10145	1.8
110.07132	1.2
110.09696	8.4
117.07018	0.9
120.04441	5.8
120.07482	0.7
120.08113	7.9
122.06018	4.4
124.07571	1.7
129.07001	1.0
129.10222	1.3
129.93929	0.8
131.08533	0.9
134.06046	1.2
136.07587	7.6
137.06013	1.1
138.05428	1.7
138.09148	10.9
146.05983	1.3
148.07561	23.0
150.05470	1.6
152.07079	1.7
154.08594	1.3
162.05499	3.5
163.03864	0.9
164.07030	1.6
166.08626	100.0
178.04974	11.6
182.08231	1.3
188.03436	8.6
192.06578	3.6
194.08078	0.9
196.06042	4.8
196.07553	0.9
196.11241	1.1
197.08325	0.9
197.10777	1.0
198.09172	1.5
199.09859	2.0
200.10628	1.2
206.04504	1.1
210.07639	3.0
212.10776	5.5
213.11533	1.4
223.08621	0.8
225.10197	3.0
226.12347	1.6
227.11707	5.5
237.10246	1.4
238.10880	1.2
239.08160	2.7
239.11757	1.1
240.10008	0.9
241.09735	1.9
245.12799	1.3
249.10173	0.9
251.08131	2.5
253.09735	5.4
254.11694	2.4
255.11229	2.5
257.10464	7.7
265.09653	7.1
266.10321	1.5
267.11319	4.7
267.15894	0.9
269.09213	3.3
269.12704	5.2
271.10632	1.5
272.12781	70.6
273.12277	4.7
279.07800	1.0
279.10986	1.8
280.08316	1.0
281.09177	2.2
283.10684	4.2
285.12332	4.6
287.10931	1.0
287.13934	13.6
293.09213	5.9
295.10846	4.8
295.13858	1.0
297.12277	1.9
299.10242	3.5
305.14951	6.8
307.10614	1.7
309.12277	1.0
310.10794	1.3
311.10150	5.9
313.11862	7.5
315.13309	4.7
317.11554	1.4
323.10040	1.3
323.16107	2.6
325.11646	1.6
329.14963	1.4
331.12863	6.9
333.14319	1.9
339.09641	1.3
341.11362	2.7
347.15948	5.0
349.14001	4.8
353.11203	1.5
371.12531	1.3
373.13904	2.2
376.16495	1.2
386.14841	1.0
389.13660	2.4
404.15952	1.8
405.14874	0.8
406.17575	1.8
417.14499	1.1
418.17462	2.4
435.17780	1.2
436.18628	2.5
446.17044	4.1
448.18567	2.7
460.18811	1.5
462.20419	1.1
464.18088	10.7
465.18893	1.0
478.19540	2.1
480.21771	4.4
492.17703	2.6
498.18716	2.3
504.16977	1.3
506.19019	4.6
520.20343	1.4
524.20074	4.6
536.20276	1.6
538.21783	8.9
542.22174	0.9
554.20953	1.0
598.21429	1.0
601.26166	1.1
603.24268	1.3
626.11786	1.0
627.23438	1.7
630.24432	30.2
631.24542	1.1
645.25610	5.1
663.26410	8.9
695.28894	1.1
740.37048	1.2
801.42334	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	801.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.1
67.05485	0.7
68.05037	0.2
69.03410	0.2
69.66698	1.4
70.06577	0.5
72.08158	0.3
72.93837	0.2
79.05487	1.6
80.05003	0.6
81.03407	0.4
81.05763	0.3
81.07059	0.3
82.06559	0.6
83.08598	0.3
84.08111	0.4
85.02893	0.3
86.09705	0.3
91.05482	1.1
92.05000	1.4
93.05777	0.6
93.07034	2.1
94.06554	2.6
95.04959	2.1
95.06084	0.2
95.07348	2.2
95.08577	0.3
96.07533	0.4
96.08118	5.1
97.06518	0.6
103.05452	0.5
105.04506	0.3
105.05782	0.3
105.07000	0.3
106.06528	2.0
107.04945	32.9
108.04437	1.3
108.05173	0.2
108.08108	7.3
109.08897	0.2
110.09673	9.6
118.02909	0.4
118.06547	0.5
120.04456	11.1
120.08092	7.1
121.06500	0.3
121.08400	0.2
122.06036	1.6
123.06836	0.3
124.07564	1.3
126.09147	0.5
128.06313	0.2
132.08072	0.5
134.06018	0.9
136.07565	8.1
138.05495	1.7
138.09128	12.5
140.07047	0.3
146.06000	1.1
148.03902	2.0
148.07559	7.4
149.87856	0.2
150.05479	0.7
150.09135	0.7
152.07072	0.8
154.08583	1.3
158.06030	0.3
162.05484	0.7
162.09100	1.0
164.03377	1.1
164.07068	1.0
166.04974	1.0
166.08621	35.4
167.08815	0.4
174.05547	0.5
178.04985	8.5
182.08215	0.3
182.09744	0.3
184.07552	0.3
184.09943	0.3
185.10724	0.3
188.03427	3.8
192.06569	1.1
194.08195	0.3
196.06056	3.2
196.07730	0.3
196.09871	0.2
197.08351	1.2
197.10869	0.3
198.09113	0.7
198.11455	0.6
199.12276	0.3
206.04442	0.5
206.08069	1.3
207.09288	0.3
208.09746	0.6
210.07494	0.5
210.09154	0.9
211.08574	0.7
211.12241	0.4
212.10907	2.1
213.10210	1.6
214.08740	0.2
214.12312	0.4
223.08649	0.4
224.09146	1.9
225.10165	2.7
226.08708	0.5
226.10785	0.5
227.08191	0.2
227.11760	3.5
237.10080	1.2
238.08801	0.3
238.11009	0.7
239.08116	1.3
239.11687	1.4
240.10242	3.5
241.09737	2.6
244.09711	0.3
244.13342	0.4
245.12856	1.5
248.09421	0.4
249.10162	1.6
250.10942	0.3
251.08145	1.6
251.11777	0.5
252.08978	0.7
253.09679	4.7
254.11835	0.5
255.11263	4.2
256.09750	0.3
257.09119	0.3
258.11264	1.0
259.10892	0.5
263.08124	0.3
264.08997	0.8
265.09705	7.2
266.10400	1.6
267.07941	0.6
267.11267	5.6
267.13962	0.4
269.09232	4.3
269.12866	1.4
270.11206	0.6
271.10669	2.1
272.12833	4.9
273.12317	3.4
277.07092	0.3
277.09625	1.6
277.79602	0.2
278.10309	0.4
279.07663	4.9
279.11270	3.3
280.08380	0.5
281.09210	2.2
283.10736	9.8
284.09064	0.7
284.11530	0.7
285.12350	2.4
287.13916	3.1
293.09183	4.8
294.10013	0.3
295.10764	7.5
297.08749	0.7
297.12347	0.7
298.10733	1.2
299.10257	3.3
299.13470	0.4
301.11935	0.3
305.09238	0.6
305.14944	0.8
307.10712	3.6
309.09042	0.3
309.12430	0.4
311.10220	7.7
312.10818	0.5
313.11725	4.4
315.13565	0.8
316.11386	0.3
316.14767	0.3
317.11542	1.1
319.14389	0.5
321.08752	1.3
323.10168	1.5
323.16006	0.4
325.11914	0.7
327.09863	0.5
329.12662	0.7
330.13190	1.3
331.12933	2.7
333.08521	0.4
339.09723	5.3
340.11591	0.3
341.11697	0.7
345.12155	0.6
347.16327	0.6
349.13919	1.2
351.09705	3.7
353.11081	0.5
355.14493	0.4
357.12143	1.8
359.13168	1.0
360.16977	0.3
361.15424	2.0
365.15128	0.3
369.10806	0.7
371.12408	4.4
373.14337	0.3
376.16287	0.4
377.14920	0.3
378.18341	0.3
383.12592	0.3
385.11667	1.1
386.15005	0.5
387.13351	0.3
389.14865	1.4
390.18094	0.5
399.13293	0.8
400.16714	0.4
401.15103	0.3
402.18396	0.4
404.15936	2.0
405.14587	0.7
406.17664	1.3
408.19293	0.8
414.14270	0.5
417.14276	2.2
418.17627	3.4
419.17929	0.4
420.19275	1.2
428.15991	0.5
430.17584	0.8
432.15042	2.7
436.18661	4.2
438.19852	0.3
446.17047	3.4
448.18646	4.8
458.17197	0.9
460.18671	1.5
464.18134	13.4
465.18518	0.5
474.16492	1.9
476.18179	0.7
477.16626	0.4
478.19370	0.4
480.21103	0.9
482.19977	0.3
486.16510	0.5
488.18225	0.3
492.10239	0.4
492.17603	8.7
494.22522	0.4
498.19077	0.6
504.17566	2.3
505.17685	0.2
506.19193	2.5
510.19925	0.5
512.21558	0.4
524.20288	14.2
525.20734	0.5
536.20251	4.1
538.21613	1.9
542.22076	0.3
552.21423	0.4
554.22650	0.8
556.20947	0.3
570.22205	2.8
580.20575	0.3
598.21545	2.8
602.24847	0.5
603.24298	0.4
612.23181	0.3
627.24670	0.3
630.24365	100.0
631.24762	3.1
645.25433	1.0
663.26648	1.8
677.28583	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	0.3
65.03941	1.0
67.05508	1.3
69.03418	0.4
69.07059	0.4
70.06585	1.7
70.99776	0.3
71.00163	0.8
72.08144	0.3
73.02883	0.3
75.92375	0.3
79.05477	2.3
80.05027	0.6
81.03416	0.9
81.07061	1.0
82.06577	0.6
84.04509	0.4
84.08142	0.7
85.02914	0.8
86.09694	0.7
91.03938	0.4
91.05485	1.3
92.05011	1.1
93.07034	1.8
94.06554	2.3
95.04951	2.1
95.07342	1.7
95.08591	0.7
96.08115	4.6
97.02882	0.4
97.06510	0.6
98.06047	0.3
103.05488	0.5
105.07030	0.6
106.06553	2.7
107.04946	29.1
107.07346	0.7
107.08595	0.4
108.04491	1.1
108.05269	0.3
108.08107	6.6
109.08983	0.3
109.10167	0.3
110.07204	0.3
110.09666	8.0
110.76649	0.3
117.07073	0.3
118.02882	0.3
118.06533	0.3
120.04453	9.7
120.08102	6.1
120.08925	0.4
121.02847	0.3
121.06558	0.4
121.10132	0.3
122.06025	1.6
124.07558	1.3
126.09152	0.5
127.03946	0.3
129.10217	0.4
131.08501	0.4
132.08134	0.7
133.10133	0.3
134.05988	0.6
136.07561	6.8
137.06049	0.3
138.05496	1.8
138.09123	10.2
141.77200	0.2
143.99641	0.3
146.06033	1.0
148.03908	1.6
148.07559	6.4
150.05495	0.6
150.09103	0.4
152.07118	0.7
154.08640	1.1
157.06435	0.3
162.05513	1.0
162.09126	0.9
164.03430	1.1
164.07091	0.6
166.05005	0.9
166.08623	31.9
167.08990	0.4
172.03992	0.5
174.05466	0.3
175.11205	0.3
176.07179	0.4
178.04990	6.0
182.04544	0.5
184.07443	0.4
188.03395	3.2
188.07060	0.3
192.06575	0.8
196.06038	2.8
196.07603	0.3
197.08403	1.2
197.10809	0.4
198.09224	0.5
198.11443	0.3
199.12259	0.3
204.06596	1.0
206.04553	0.5
206.08160	0.9
210.07515	0.5
210.09253	0.7
211.08589	0.4
212.10847	2.3
213.10226	0.9
223.08627	0.4
224.09129	1.3
225.10121	2.8
226.08659	0.6
227.11751	2.7
237.10287	1.2
238.08769	0.4
238.10905	0.7
239.08217	0.8
239.11856	0.9
240.10289	2.5
241.09731	3.0
242.08275	0.5
245.12898	1.6
249.10278	1.1
251.08168	1.3
251.11884	0.8
252.08754	0.7
253.09683	3.8
254.11932	0.8
255.11263	3.5
257.09973	0.3
258.11380	0.6
259.10706	0.3
263.11853	0.4
265.09698	6.2
266.10507	1.4
267.08749	0.2
267.11295	4.6
267.15887	0.6
269.09265	3.7
269.12903	0.9
270.11392	0.5
271.10733	1.8
272.12802	5.7
273.12311	2.8
277.09781	1.5
279.07681	4.3
279.11301	2.5
280.09366	0.3
281.09274	1.7
281.12064	0.4
283.10767	6.9
284.08978	0.4
284.11694	0.5
285.12299	2.3
287.14056	2.2
289.63889	0.3
293.09186	4.1
294.09830	0.3
295.10724	6.1
296.11200	0.3
297.12299	0.7
298.10876	0.9
299.10266	3.0
301.12518	0.3
303.13583	0.4
305.09204	0.8
305.15073	1.2
307.10693	2.8
311.10196	6.1
311.13474	0.6
313.11697	3.7
315.13614	0.6
317.11935	0.6
319.14334	0.6
321.08636	0.9
323.10318	0.9
323.15912	0.4
325.12061	0.6
327.09647	0.6
329.12476	0.5
330.13159	1.1
331.12878	2.5
333.08594	0.3
339.09695	5.2
339.13391	0.5
341.11749	0.4
345.12241	0.5
347.16025	0.9
349.14020	1.1
351.09732	2.6
355.14926	0.3
357.12408	1.1
359.12820	0.8
361.15472	1.8
369.10919	0.4
371.12299	3.3
376.16531	0.3
377.14856	0.3
383.12747	0.5
385.11887	1.0
389.14786	1.3
390.18317	0.4
399.13431	0.4
400.16882	0.6
403.12997	0.5
404.16043	2.1
405.14539	0.6
406.17657	1.1
408.19089	0.6
417.14386	1.6
418.17545	2.8
420.19122	1.3
430.17621	0.5
432.15079	2.9
436.18460	3.2
439.19547	0.3
446.17175	2.6
448.18585	4.9
458.17032	0.9
459.27350	0.6
460.18552	1.0
464.18143	11.6
474.16165	1.3
476.18350	1.0
477.16141	0.3
477.28201	0.5
478.19824	0.7
480.21075	1.0
492.17606	7.5
498.18829	0.4
504.17648	2.2
506.19183	2.9
510.19507	0.4
524.12311	0.6
524.20239	11.8
525.21069	0.4
536.20325	2.9
538.21503	1.6
542.23077	0.5
552.21124	0.5
554.22827	0.4
570.22174	2.3
598.21948	2.1
603.23932	0.3
630.24384	100.0
631.24731	2.7
645.25641	1.2
663.26373	2.4
695.29358	0.5
776.80664	0.3
801.30951	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96543	0.2
61.02904	0.2
67.05489	0.5
69.03426	0.2
69.54075	1.4
70.06304	0.2
70.06592	2.3
79.05475	0.4
81.03407	0.3
81.07037	0.3
84.04501	0.3
84.08134	0.5
85.02893	0.4
86.09698	0.8
89.03899	0.4
91.05466	0.6
93.07050	0.3
94.06546	0.6
95.04954	0.2
96.08096	0.3
97.02880	0.3
98.21413	0.4
101.49691	0.2
103.43564	0.2
107.04955	1.9
108.08098	0.6
110.09660	0.6
116.04951	2.2
120.08096	0.8
122.05997	0.7
124.07545	0.4
127.03913	0.3
129.10245	0.4
132.07994	0.3
133.08778	0.2
134.05998	0.3
134.09663	0.2
136.07564	5.4
137.05975	0.2
138.09108	1.5
144.04434	5.1
152.07057	0.8
162.05515	2.3
163.03920	0.2
164.07057	1.3
166.08653	1.0
172.03929	26.3
173.04347	0.4
184.07565	0.2
190.05020	0.4
196.11185	0.5
197.08331	0.3
198.09148	1.0
199.09909	2.5
200.10710	0.8
204.06549	38.2
205.06961	0.5
211.09924	0.4
212.10687	4.4
213.11494	1.1
221.10718	0.2
223.08423	0.3
225.10162	0.7
226.12265	2.1
237.10181	0.6
239.11671	0.2
241.09233	0.6
242.09270	0.3
243.09056	0.5
249.10320	0.4
251.08240	0.3
253.09680	0.4
254.11790	2.6
257.10461	6.9
259.10214	0.4
260.10355	0.3
261.10068	0.8
265.09698	0.8
267.11212	0.8
271.11963	0.7
272.12790	100.0
273.13168	2.7
277.09778	0.3
281.09225	1.1
287.10773	0.2
293.09161	0.3
295.10751	0.8
295.63913	0.2
309.12177	0.5
311.10120	0.4
311.13162	0.3
313.11731	1.3
323.10306	2.9
324.10699	0.2
325.11612	0.7
327.13187	0.3
331.08124	0.3
337.11362	0.4
339.09732	0.3
341.11487	0.9
355.12830	14.1
356.13062	0.5
371.12360	1.0
373.14038	2.2
385.13303	0.4
386.13614	0.5
387.13373	2.0
427.18372	1.1
429.19470	0.4
435.15421	0.2
468.73306	0.2
488.17844	0.4
506.19089	0.4
510.22235	0.3
520.20605	0.7
538.21808	1.5
555.14301	0.2
600.23126	0.3
645.24524	0.3
659.27380	0.2
695.28284	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43392	0.2
64.25910	0.2
65.03928	0.2
67.05524	0.2
70.06587	1.0
70.71703	0.4
70.72073	0.3
79.05489	0.4
81.03394	0.2
81.07047	0.3
82.06570	0.3
82.92349	0.2
85.02889	0.2
89.03906	0.3
91.05500	0.4
93.07013	0.5
94.06551	0.6
95.04947	0.3
95.07314	0.2
95.08528	0.2
96.08116	1.1
97.06530	0.2
103.05448	0.2
105.07012	0.4
106.06550	0.3
107.04918	0.7
107.07338	0.3
108.08115	1.1
110.09669	1.8
114.35320	0.2
116.04972	1.8
120.07320	0.3
120.08093	2.6
122.06004	0.7
123.04417	1.0
124.07563	1.5
132.08061	0.4
133.08871	0.3
134.05978	0.2
134.09653	0.7
136.07591	1.4
138.09128	2.3
144.04436	3.1
145.06523	0.2
146.06041	0.5
148.07558	0.7
150.09167	0.5
152.07050	0.9
154.08601	0.5
160.03937	0.5
160.07555	0.3
162.05492	1.8
162.09135	0.5
164.07037	0.3
166.08636	4.0
172.03925	21.2
173.02463	0.2
173.04196	0.4
174.06839	0.2
179.09421	0.8
180.10213	0.2
182.09583	0.3
190.05008	0.7
198.09320	0.2
198.11319	0.3
200.10687	0.2
204.06549	35.4
205.06929	0.6
210.09122	0.7
211.10112	0.2
211.12204	0.4
212.10759	1.3
213.07813	0.4
213.10048	0.4
214.08618	0.7
215.09431	2.4
216.10126	0.6
220.06041	0.6
224.10707	0.3
225.10188	0.6
226.11034	0.8
227.11740	1.3
228.10167	4.2
229.11037	1.1
237.10234	0.3
239.11838	2.3
240.12541	0.2
242.11728	1.8
251.11682	0.5
255.08833	0.3
257.12946	0.3
260.12952	0.4
263.11792	0.7
267.11230	0.4
269.12781	0.3
270.11249	2.3
271.14316	0.2
272.12762	3.4
273.09940	6.5
273.12561	0.2
279.11246	0.7
283.10718	0.3
284.11646	0.3
285.12323	5.8
286.12997	0.5
287.11398	0.7
288.12283	100.0
289.12616	1.8
291.11313	0.4
293.13028	0.3
297.12338	1.1
298.13187	1.4
299.13864	0.3
309.12329	0.4
313.11664	0.3
315.13269	0.3
317.14935	0.9
319.10623	0.3
323.10245	0.3
325.11844	1.3
329.15018	0.3
333.14536	0.2
337.11676	0.9
339.13364	0.6
341.11310	0.5
343.12997	0.3
345.14801	0.3
355.15683	0.4
357.14395	5.9
371.12561	0.4
373.13962	2.9
389.13562	0.3
443.18051	1.2
445.14093	0.3
445.19681	0.9
451.21039	0.3
464.22305	0.5
488.18237	0.4
490.19937	0.4
492.21265	0.2
506.19141	0.3
508.20633	0.2
520.20801	0.4
522.22302	0.7
538.21790	9.3
543.23749	0.3
600.23529	0.4
612.22961	0.4
632.26202	1.1
647.26898	0.4
659.27216	0.3
695.28876	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	0.5
67.05477	1.1
68.05011	0.4
69.07042	0.3
69.83351	1.3
69.83762	0.5
70.06581	0.7
79.05476	0.8
79.26907	0.3
84.08121	1.2
89.03900	1.2
91.05440	0.6
93.07007	0.5
94.06561	11.0
95.04942	1.1
96.04488	5.5
96.08130	2.3
98.06038	0.3
98.20821	0.4
103.05509	0.3
107.04947	21.3
108.08124	1.8
110.09695	2.2
112.07597	6.8
116.04977	3.1
120.04485	0.3
120.08096	2.1
122.06020	12.3
122.09653	0.7
123.04417	0.6
124.07562	2.8
134.05971	1.6
136.07571	3.2
138.05458	0.4
138.09120	3.1
140.07056	23.3
144.04442	8.8
145.05228	0.3
146.05948	0.6
148.03897	0.3
148.07513	1.4
152.07059	11.3
154.08620	0.9
158.08119	29.4
162.05498	4.3
164.07062	0.4
166.08632	5.3
168.06529	0.7
172.03918	54.3
173.04231	0.8
182.08113	4.5
187.10077	0.3
190.04976	3.6
194.08128	3.2
196.07913	0.3
200.10721	1.0
204.06543	100.0
205.06895	1.6
212.10648	0.4
215.11673	0.4
228.10226	0.5
237.10274	0.5
239.11836	0.4
243.11089	1.4
251.11694	0.6
257.10376	0.4
260.12863	0.6
265.09641	0.5
272.12793	6.9
273.09943	0.6
273.12885	0.5
279.11346	0.7
283.10562	0.3
285.12411	0.9
286.10721	1.7
288.12274	68.4
289.12534	1.8
293.09152	0.7
297.12451	1.4
303.13339	3.8
307.10663	0.4
311.10440	0.4
313.11661	0.7
325.11795	15.5
329.14877	1.4
339.13345	1.1
343.12894	4.0
350.02707	0.3
353.11526	0.4
357.14413	29.6
358.14658	1.0
373.13956	1.0
409.17596	5.4
419.16367	0.3
427.18561	2.6
431.15900	0.4
436.18649	0.4
449.16748	0.3
478.19772	0.6
482.19186	0.7
496.20325	0.5
506.19174	3.0
520.20563	0.4
538.21826	2.8
584.23926	4.0
616.26550	0.6
829.62585	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03414	1.2
61.02915	2.2
67.05510	6.1
69.03418	3.0
69.07065	1.4
70.06585	6.4
70.37526	5.7
72.08157	1.3
76.86813	1.2
79.05479	4.6
79.77591	1.3
80.05000	2.5
81.03399	4.4
81.07040	5.4
83.05006	1.5
83.08604	1.9
84.04480	2.2
84.08120	1.5
85.02885	4.3
86.09668	2.8
91.05478	3.4
93.05730	1.8
93.07021	4.3
94.06559	3.1
95.04946	2.3
95.08607	3.1
97.02876	3.2
98.21409	1.2
105.07007	4.4
106.06469	2.3
107.04948	15.1
107.07326	9.7
108.08121	6.2
109.02859	1.8
109.10152	1.9
110.06054	1.3
113.40611	1.3
120.04460	2.7
120.08076	6.7
121.06505	2.0
121.08884	2.0
122.06011	3.9
122.09663	23.5
126.95197	1.3
129.10249	2.1
131.08505	1.6
134.05980	3.2
135.06761	2.9
136.07547	6.8
137.06007	1.7
142.25169	1.4
146.06039	1.8
147.11659	1.7
148.07558	4.5
150.09140	100.0
152.07031	2.4
162.22299	1.3
164.07063	9.2
165.07416	2.6
166.08722	6.1
174.05470	1.7
192.06534	1.9
193.12262	1.6
202.05005	2.8
210.11418	1.8
220.06047	12.4
221.10722	3.1
222.11569	1.7
223.12198	3.8
225.10271	2.6
234.07646	4.9
235.08672	4.9
235.12196	6.5
236.09401	2.8
237.10251	11.2
237.13742	2.8
238.10930	4.9
239.11702	6.2
244.09560	1.7
247.08627	4.8
248.09348	6.6
249.10194	18.3
250.11041	15.2
251.08147	1.3
251.09085	1.7
251.11775	19.3
252.12498	3.2
253.09628	1.4
253.13356	4.1
255.11386	2.1
261.10239	11.6
262.11023	6.6
263.11789	48.0
264.08945	3.1
264.12411	5.0
265.09702	7.6
265.13428	9.4
266.10580	2.0
267.11243	4.3
269.12866	1.9
272.12793	4.8
275.08081	2.3
275.11752	2.0
277.09726	13.7
278.10449	5.5
279.11264	45.4
280.11880	4.3
281.12796	6.9
282.09995	2.9
283.10712	2.3
289.09756	12.2
290.10309	4.1
291.11252	35.4
292.11987	9.7
293.09274	4.0
293.12808	14.4
295.10797	11.6
295.13895	2.6
297.12299	12.2
305.09235	3.5
307.10709	15.1
309.12323	37.3
311.13803	4.6
317.09143	4.7
318.09973	1.7
319.10721	10.7
321.12277	2.3
323.10272	3.0
323.13718	3.0
324.11038	4.8
325.11841	10.4
327.14252	1.9
328.14465	1.7
335.10266	24.2
336.11069	11.1
337.11801	38.0
338.12317	1.6
339.13437	4.4
341.11343	1.5
342.16193	2.6
344.13602	1.6
353.11276	9.9
354.12943	1.5
355.13025	6.9
356.17572	3.2
357.14401	6.3
367.12872	18.7
368.13992	1.8
369.14719	4.0
370.15256	3.8
382.15005	1.7
384.16965	3.6
386.18591	2.0
387.19556	3.3
395.13287	1.5
396.13193	1.7
400.20251	1.8
403.16315	2.1
412.16510	2.3
413.14645	2.0
414.18134	2.1
415.15887	2.7
416.20087	2.0
418.21518	1.6
428.19775	3.6
429.14944	2.0
429.20926	1.8
438.14291	3.1
439.27271	1.7
440.27090	3.5
441.14249	4.7
443.15756	3.4
444.19171	6.4
446.20837	16.8
448.22760	9.3
456.15314	2.5
461.16620	1.4
472.18695	18.3
473.19427	6.6
474.20389	41.6
475.16840	1.5
476.21640	2.3
478.23172	1.7
479.17105	2.2
490.19690	35.5
492.17035	9.3
504.21301	74.1
505.21701	3.2
506.22974	39.9
522.22229	9.7
552.24988	10.5
567.25580	3.5
578.22144	3.3
585.27045	5.2
593.06873	1.6
593.23761	4.6
596.23523	3.4
597.22961	1.5
598.25305	2.6
610.24274	2.7
611.25012	33.6
629.26019	59.5
642.23114	1.6
644.65216	1.4
661.28680	3.6
712.37720	1.6
735.29688	2.9
799.44891	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	799.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03414	1.2
61.02915	2.2
67.05510	6.1
69.03418	3.0
69.07065	1.4
70.06585	6.4
70.37526	5.7
72.08157	1.3
76.86813	1.2
79.05479	4.6
79.77591	1.3
80.05000	2.5
81.03399	4.4
81.07040	5.4
83.05006	1.5
83.08604	1.9
84.04480	2.2
84.08120	1.5
85.02885	4.3
86.09668	2.8
91.05478	3.4
93.05730	1.8
93.07021	4.3
94.06559	3.1
95.04946	2.3
95.08607	3.1
97.02876	3.2
98.21409	1.2
105.07007	4.4
106.06469	2.3
107.04948	15.1
107.07326	9.7
108.08121	6.2
109.02859	1.8
109.10152	1.9
110.06054	1.3
113.40611	1.3
120.04460	2.7
120.08076	6.7
121.06505	2.0
121.08884	2.0
122.06011	3.9
122.09663	23.5
126.95197	1.3
129.10249	2.1
131.08505	1.6
134.05980	3.2
135.06761	2.9
136.07547	6.8
137.06007	1.7
142.25169	1.4
146.06039	1.8
147.11659	1.7
148.07558	4.5
150.09140	100.0
152.07031	2.4
162.22299	1.3
164.07063	9.2
165.07416	2.6
166.08722	6.1
174.05470	1.7
192.06534	1.9
193.12262	1.6
202.05005	2.8
210.11418	1.8
220.06047	12.4
221.10722	3.1
222.11569	1.7
223.12198	3.8
225.10271	2.6
234.07646	4.9
235.08672	4.9
235.12196	6.5
236.09401	2.8
237.10251	11.2
237.13742	2.8
238.10930	4.9
239.11702	6.2
244.09560	1.7
247.08627	4.8
248.09348	6.6
249.10194	18.3
250.11041	15.2
251.08147	1.3
251.09085	1.7
251.11775	19.3
252.12498	3.2
253.09628	1.4
253.13356	4.1
255.11386	2.1
261.10239	11.6
262.11023	6.6
263.11789	48.0
264.08945	3.1
264.12411	5.0
265.09702	7.6
265.13428	9.4
266.10580	2.0
267.11243	4.3
269.12866	1.9
272.12793	4.8
275.08081	2.3
275.11752	2.0
277.09726	13.7
278.10449	5.5
279.11264	45.4
280.11880	4.3
281.12796	6.9
282.09995	2.9
283.10712	2.3
289.09756	12.2
290.10309	4.1
291.11252	35.4
292.11987	9.7
293.09274	4.0
293.12808	14.4
295.10797	11.6
295.13895	2.6
297.12299	12.2
305.09235	3.5
307.10709	15.1
309.12323	37.3
311.13803	4.6
317.09143	4.7
318.09973	1.7
319.10721	10.7
321.12277	2.3
323.10272	3.0
323.13718	3.0
324.11038	4.8
325.11841	10.4
327.14252	1.9
328.14465	1.7
335.10266	24.2
336.11069	11.1
337.11801	38.0
338.12317	1.6
339.13437	4.4
341.11343	1.5
342.16193	2.6
344.13602	1.6
353.11276	9.9
354.12943	1.5
355.13025	6.9
356.17572	3.2
357.14401	6.3
367.12872	18.7
368.13992	1.8
369.14719	4.0
370.15256	3.8
382.15005	1.7
384.16965	3.6
386.18591	2.0
387.19556	3.3
395.13287	1.5
396.13193	1.7
400.20251	1.8
403.16315	2.1
412.16510	2.3
413.14645	2.0
414.18134	2.1
415.15887	2.7
416.20087	2.0
418.21518	1.6
428.19775	3.6
429.14944	2.0
429.20926	1.8
438.14291	3.1
439.27271	1.7
440.27090	3.5
441.14249	4.7
443.15756	3.4
444.19171	6.4
446.20837	16.8
448.22760	9.3
456.15314	2.5
461.16620	1.4
472.18695	18.3
473.19427	6.6
474.20389	41.6
475.16840	1.5
476.21640	2.3
478.23172	1.7
479.17105	2.2
490.19690	35.5
492.17035	9.3
504.21301	74.1
505.21701	3.2
506.22974	39.9
522.22229	9.7
552.24988	10.5
567.25580	3.5
578.22144	3.3
585.27045	5.2
593.06873	1.6
593.23761	4.6
596.23523	3.4
597.22961	1.5
598.25305	2.6
610.24274	2.7
611.25012	33.6
629.26019	59.5
642.23114	1.6
644.65216	1.4
661.28680	3.6
712.37720	1.6
735.29688	2.9
799.44891	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	799.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50397	0.5
67.05498	1.2
70.06583	1.1
71.40789	0.7
79.05488	1.1
80.05007	0.5
81.03342	0.6
81.07046	1.1
82.06557	0.6
90.10700	0.5
91.05495	1.0
93.05789	1.3
93.07037	1.0
94.06559	2.5
94.31574	0.5
96.08121	2.2
98.20834	0.5
107.04930	4.0
107.07304	0.5
108.08112	18.4
110.06031	0.6
110.09680	3.2
120.08102	2.7
121.06463	1.0
122.06026	1.5
124.07585	1.6
128.88065	0.5
132.08044	0.8
134.48895	0.6
136.07568	26.2
138.09135	4.1
140.07004	0.6
142.13916	0.5
146.51207	0.5
148.07578	1.0
151.69489	0.5
152.07060	4.1
156.85655	0.6
162.05479	0.6
164.07059	6.5
166.08647	6.0
174.09189	1.1
194.61549	0.5
199.08670	0.7
204.10242	2.4
207.09181	0.5
209.09897	0.5
211.12305	1.1
212.09413	0.6
213.10254	1.9
221.10863	0.8
223.08583	0.7
223.12294	0.8
224.09412	1.0
224.13097	0.5
225.10170	3.2
226.10822	0.7
227.08168	0.8
227.11760	2.5
228.08876	0.9
235.08650	1.7
236.09477	0.9
237.10159	2.3
238.10907	0.6
239.08159	1.5
239.11819	4.3
240.12563	0.6
241.09760	4.5
241.13432	1.4
244.13344	2.3
247.08788	1.1
248.09467	1.4
249.10281	5.9
250.10973	1.9
251.08125	0.9
251.11760	5.6
252.08788	0.7
253.09676	2.8
253.13396	0.6
255.07683	0.6
255.11276	1.3
257.09192	5.0
258.11328	0.8
261.10269	3.0
262.11093	1.4
263.08734	0.7
263.11807	7.5
264.08984	1.2
265.09607	3.7
265.13538	0.6
266.10522	1.7
267.11279	7.0
269.09280	1.9
269.12878	0.8
271.10709	2.2
272.12845	1.1
272.37210	0.6
277.09705	4.4
278.10556	1.2
279.11258	6.6
280.12122	0.8
281.09137	0.9
281.12723	1.5
283.10837	1.8
284.11649	1.5
285.09567	0.6
285.12347	3.7
286.14474	2.5
289.09607	4.6
289.12326	0.6
290.10455	2.2
291.11282	6.5
292.11755	0.5
293.09225	1.9
293.12863	3.3
295.10687	2.7
296.11737	0.8
297.08817	0.8
297.12372	2.2
298.13339	1.0
299.10321	2.2
299.13916	0.7
300.11072	5.2
300.14517	0.8
301.11993	0.9
302.12881	8.1
303.13672	15.1
304.14359	1.6
305.09091	2.6
306.09958	0.6
307.10739	2.5
308.11646	1.0
309.12479	1.7
311.10294	4.0
312.11087	1.0
312.14856	0.8
313.11990	2.3
314.12820	1.4
315.13681	1.0
316.11008	0.9
316.14517	1.2
317.08951	3.0
317.14984	0.6
318.16074	0.9
319.10757	0.9
323.10291	1.7
324.11490	0.6
325.11960	3.8
326.12915	1.2
327.13678	1.3
328.11081	0.5
328.14478	2.2
328.17993	0.7
329.11719	1.1
329.15302	1.0
330.12366	6.9
330.15891	0.9
331.13229	3.5
332.13937	1.4
332.17712	1.0
333.08453	0.8
335.10355	1.8
337.12018	1.1
338.12881	1.8
339.13724	2.3
340.10779	0.9
340.14453	5.6
341.11475	1.1
341.15271	0.9
342.12369	1.7
342.16135	2.6
343.13095	1.4
344.13965	5.5
345.14716	1.3
346.15482	1.2
347.12485	0.6
348.13452	1.8
348.17221	0.8
351.13657	1.2
352.14407	1.4
353.11520	1.6
353.15344	1.3
354.12296	2.0
354.16141	1.9
355.13217	2.2
356.13791	3.1
356.17706	2.3
357.10806	1.1
357.14795	1.8
358.11923	1.7
358.15585	1.4
359.12277	1.0
360.13351	1.0
360.17245	0.6
366.12137	2.6
367.13242	2.6
368.13864	6.1
369.14832	2.4
370.11597	1.1
370.15457	3.8
371.12317	9.9
371.16269	0.9
372.13116	1.1
372.17047	1.5
373.14273	1.5
374.14813	3.2
375.12045	1.4
376.12634	0.9
376.16730	1.4
379.13107	0.8
380.14011	2.2
381.14709	1.6
382.11194	0.8
382.15576	3.5
383.12436	2.1
383.16394	1.7
384.13205	1.4
384.17401	4.2
385.13989	0.8
386.14517	1.1
386.19034	3.3
388.12766	2.0
388.16953	1.1
389.13660	2.3
390.14365	15.5
390.18378	1.1
391.14630	0.6
394.11392	1.0
395.12500	1.0
396.12955	2.6
397.14401	1.6
398.14755	3.3
399.15869	0.7
400.16510	2.6
402.13831	2.5
402.18918	0.9
403.15216	7.6
404.15854	3.0
407.13007	0.7
408.13272	1.1
409.14029	0.9
410.14902	2.5
411.15927	1.8
412.16675	7.5
413.17679	1.4
414.13293	0.7
414.18454	4.0
415.18954	0.6
416.15366	1.1
416.19888	1.7
418.13724	5.5
420.15448	6.1
424.16718	1.1
426.14166	4.3
427.15009	0.6
428.16135	4.2
430.18185	2.8
431.18436	1.4
432.19315	1.6
434.17328	1.2
438.14731	1.0
440.15985	4.3
442.17914	8.8
443.18472	3.0
444.19684	4.8
446.17059	1.9
447.18250	0.8
448.18744	1.6
449.19507	3.1
450.14731	0.9
452.15512	0.6
456.15811	0.7
458.17181	5.0
459.17783	0.8
460.18555	6.5
462.16537	12.9
463.17377	19.2
464.17599	2.5
468.15381	7.8
469.16275	1.0
470.17227	4.1
474.16650	1.5
476.18198	3.4
486.16568	12.7
487.17377	4.8
488.18137	24.5
504.17606	15.9
506.19586	2.2
508.20929	0.8
510.22318	2.2
518.19263	8.8
519.20154	0.7
522.18988	1.3
523.18970	0.7
524.20068	2.1
528.19531	0.7
535.19592	3.1
536.20264	100.0
537.20496	2.3
562.19916	1.6
580.20642	8.1
581.23901	4.4
597.23816	0.8
599.24957	20.3
607.21613	1.9
624.22839	1.2
625.22937	18.8
630.24133	3.9
642.24127	1.2
643.23938	46.9
644.24066	1.1
657.25732	1.0
675.27429	0.8
692.26166	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.318
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07031	0.4
70.06560	0.6
71.11838	0.5
71.12205	0.6
74.38796	0.3
76.68108	0.3
79.05478	1.8
80.04991	0.6
81.07042	0.9
82.06562	0.6
86.09727	0.4
91.05465	1.3
93.05793	0.7
93.07033	3.7
94.06553	4.4
95.04971	0.9
95.07340	4.2
95.08602	0.4
96.08119	8.7
97.06538	0.5
103.05499	0.6
107.04937	6.0
108.08111	11.4
109.08891	0.4
110.06054	0.5
110.09672	14.7
118.06564	0.7
120.08099	10.1
121.06520	0.7
122.06045	1.4
123.06810	0.9
124.07597	2.0
136.06496	0.5
136.07565	11.9
138.09129	18.5
146.05971	0.4
148.07556	2.8
150.09149	0.3
152.07025	4.7
164.07027	3.7
166.08624	20.9
170.08107	1.0
174.09157	0.7
180.06664	0.5
192.06607	0.6
197.10733	0.5
198.11514	0.4
204.10190	0.7
209.10699	0.4
211.08653	0.5
211.12144	0.8
212.09471	0.5
213.10208	1.3
223.12326	0.5
224.09273	0.6
225.10254	3.6
226.11017	1.5
227.11755	2.9
235.08661	0.6
236.09340	0.7
237.10194	2.5
238.10968	0.5
239.08099	0.9
239.11752	6.3
240.12466	0.4
241.09692	2.1
241.13434	0.9
244.13301	0.7
248.09518	0.7
249.10175	5.6
250.11101	0.6
251.08192	1.4
251.11797	2.2
252.08987	1.4
253.09711	2.0
253.13344	0.4
254.10492	0.4
255.07890	0.5
255.11299	2.5
257.09079	1.9
258.11456	2.3
261.10193	2.8
262.10791	0.5
263.08127	0.6
263.11774	2.2
264.08966	1.6
265.09662	6.4
265.12268	0.5
266.10492	3.8
267.11221	6.5
267.13971	0.4
268.08478	0.4
269.09207	1.7
269.12814	0.8
270.10028	0.4
271.10693	1.8
272.12888	1.0
277.09653	2.9
277.44156	0.3
278.10590	1.9
279.11261	10.3
280.11954	1.3
281.09192	0.6
281.12970	0.5
282.10025	0.6
283.10703	5.1
284.11487	5.9
285.12308	7.2
285.27039	0.4
286.13199	0.5
287.14041	0.4
289.09525	2.1
290.10257	0.4
291.08191	0.5
291.11386	1.3
293.09210	2.6
293.12488	0.6
294.10059	0.5
295.10684	2.3
296.11502	2.6
297.08719	1.3
297.12384	2.6
298.13080	0.9
299.10406	1.2
299.13892	0.5
300.11002	1.9
301.12164	0.7
302.12943	3.0
303.13611	5.5
304.14230	0.8
305.09039	1.8
307.10822	1.3
309.12332	0.6
311.10226	17.6
312.10995	1.0
312.14908	0.4
313.11972	1.1
314.12741	0.9
315.13507	1.0
316.14401	0.9
317.09116	0.6
321.08517	0.4
323.10284	4.3
324.11047	0.7
325.11917	1.4
326.12869	0.6
327.13544	0.8
328.10574	0.4
328.14438	1.1
329.11627	0.5
329.15463	0.5
330.12390	2.9
330.15970	0.8
331.13287	1.5
332.13928	0.5
332.17566	0.6
333.08603	1.1
337.11783	0.5
339.09592	0.8
339.13522	0.7
340.14532	1.8
341.11511	0.5
342.12180	0.8
343.13071	1.6
344.13992	1.4
346.15628	0.6
348.13339	0.9
352.14648	0.4
353.11307	1.8
353.15240	0.4
354.12152	0.8
355.12909	0.8
356.13849	1.3
356.17773	0.7
357.10837	1.9
357.14868	0.5
358.11481	0.7
358.15436	1.0
359.12424	1.0
360.13333	0.5
362.18674	0.9
366.12125	0.5
367.13260	0.8
368.13873	1.9
370.15598	0.7
371.12332	23.9
372.13104	1.0
372.17221	0.6
373.14035	2.5
374.15201	1.0
376.16431	1.2
381.14661	0.8
382.15698	1.3
383.12311	10.0
383.16788	0.6
384.13275	0.9
384.17273	1.1
385.14127	0.5
386.14655	0.9
386.18781	1.0
388.12527	0.7
388.16837	0.7
389.14026	1.1
390.14157	6.6
390.17728	0.9
392.16183	0.4
394.11871	0.5
398.14886	1.3
400.16718	0.6
402.14484	1.1
403.15228	2.4
404.15945	1.4
410.14798	0.7
412.16626	1.7
414.18231	1.1
416.16064	0.9
418.13333	2.0
419.18045	0.4
420.15341	2.0
424.16641	0.7
426.14554	1.3
428.15939	1.0
430.17847	1.2
431.18448	1.2
432.19104	1.0
434.17120	0.5
440.16089	1.0
442.17578	1.4
444.19638	0.8
446.16931	0.6
448.18539	1.2
449.19534	5.4
450.20239	0.5
456.15280	0.7
458.17084	1.6
460.18668	1.0
462.16498	4.8
463.17307	7.3
464.18060	1.3
465.16650	1.0
468.15390	2.4
470.17273	0.5
474.16647	0.8
476.18289	1.8
477.16891	0.7
486.16602	3.8
487.17239	0.9
488.18176	3.5
490.20282	0.6
492.17453	0.7
494.98743	0.4
496.63913	0.4
504.17563	3.6
506.19412	1.2
510.22256	1.0
518.19208	4.5
522.18677	1.0
523.19476	0.5
524.20215	3.4
525.22217	0.5
528.19897	0.8
530.21185	1.1
535.19598	1.1
536.20233	100.0
537.20477	4.1
540.19745	3.4
554.21271	0.4
562.18951	0.5
570.22675	1.0
580.20667	4.8
581.23279	0.8
599.24915	3.5
612.23773	0.7
625.22827	2.9
630.24280	7.2
643.23877	7.2
657.24908	1.9
675.26520	0.6
693.27991	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.6295
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.6
57.07075	6.4
58.06602	3.4
61.78527	0.2
67.05505	0.9
68.05022	0.5
69.07060	1.1
69.65216	1.5
70.06590	20.8
71.06908	0.2
71.08622	2.8
72.08150	5.2
79.05481	0.6
81.07046	0.5
82.06601	0.2
83.08645	0.3
84.08143	7.1
85.10180	1.0
86.06071	0.5
86.09704	9.1
87.04483	0.9
88.07632	2.7
89.06027	7.6
91.05470	0.3
93.07054	0.7
95.08617	0.6
96.08122	0.3
97.10178	0.3
98.21522	0.2
100.07597	0.3
102.09180	2.1
105.07034	0.7
107.08619	0.3
109.10127	0.3
114.09161	8.7
116.10751	0.3
120.05511	0.3
121.06483	0.4
130.08646	0.3
132.10217	1.0
133.08615	0.6
146.11778	0.7
158.11812	0.3
161.32861	0.2
176.12910	0.5
190.14409	0.5
202.14507	0.3
220.15425	1.2
227.12984	0.2
234.17058	1.0
261.13208	0.3
264.18073	0.8
278.19650	0.5
283.15482	0.3
296.33121	3.1
308.20889	0.3
310.34869	0.6
322.34668	6.9
324.36224	6.8
340.35730	7.1
352.23077	0.3
366.24771	0.3
384.38306	3.6
396.25949	0.3
428.40991	3.1
457.05115	0.2
457.29352	0.3
472.43597	10.1
473.43924	0.4
516.46204	9.7
517.46594	0.5
539.39325	1.1
560.48987	2.0
604.51459	7.2
648.54010	4.0
692.56818	0.7
736.58795	0.6
780.62561	0.7
798.62964	100.0
799.63275	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	798.6293
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34013	0.2
57.07073	8.4
58.06598	6.0
59.04969	0.5
63.08263	0.2
67.05504	1.6
68.04975	0.6
69.03381	0.3
69.07060	1.8
70.06587	14.9
70.06942	0.5
71.04975	0.3
71.08624	3.7
71.59429	0.3
71.59846	0.3
72.08144	3.3
73.02917	1.6
73.06488	0.9
79.05488	1.6
81.03378	0.5
81.07005	1.2
83.08621	1.4
84.08137	4.7
85.02844	0.3
85.10180	1.7
86.06016	0.4
86.09702	5.2
87.04465	2.2
88.07636	1.9
89.06025	12.5
91.05473	1.3
93.07013	0.7
95.04922	0.5
95.08560	0.8
97.10109	0.8
99.28151	0.3
100.07552	0.5
102.09179	1.4
103.05418	1.1
105.07022	15.7
106.07337	0.4
107.04945	0.4
107.07010	0.7
107.08582	0.6
109.10102	0.5
113.05946	0.4
114.08418	0.4
114.09158	6.1
117.09090	0.3
119.08504	0.5
121.06511	1.3
130.08617	0.4
131.07045	0.5
131.08517	0.9
132.10178	0.6
133.08591	3.6
133.10110	0.3
146.11705	0.5
147.08043	0.8
151.05615	0.3
159.94852	0.3
172.19640	0.3
174.73085	0.3
177.11214	1.0
201.42081	0.3
218.74211	0.3
220.15462	0.7
221.13672	0.5
225.12845	1.3
234.16919	0.4
251.14246	0.4
264.18121	0.4
296.33105	37.0
297.33447	0.5
299.14883	1.1
313.27216	0.7
318.26965	0.3
322.22211	0.4
322.34689	4.5
324.36194	4.2
340.35754	5.2
341.35794	0.3
346.86880	0.3
352.22961	0.3
359.19250	0.3
366.24820	0.3
373.21384	0.4
384.38220	2.6
428.40936	2.3
444.00598	0.3
467.37378	0.4
472.36743	0.3
472.43521	6.6
486.03860	0.3
497.29718	0.3
516.46204	5.0
520.37366	0.3
537.38440	0.6
538.38696	0.6
539.39398	0.9
560.48871	5.4
604.51495	3.6
648.53693	1.7
692.56293	0.6
780.63275	0.5
798.62946	100.0
799.63306	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	797.5162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.8
61.02923	5.7
64.42753	0.6
67.05505	7.3
69.03424	5.3
69.07063	1.3
71.10728	1.3
73.02917	5.0
79.05498	4.7
81.03412	2.0
81.07039	6.6
82.11232	0.6
83.08640	1.2
83.39606	0.6
85.02916	5.7
91.03955	4.0
91.05501	2.2
93.07036	5.3
95.04909	0.7
95.08600	4.3
96.08244	0.6
97.02887	5.5
99.04475	1.5
101.02398	1.6
105.07037	1.6
107.08614	1.8
109.02909	1.0
109.06589	0.7
109.10178	2.2
117.07160	0.6
117.33633	0.6
119.08624	1.0
120.69302	0.7
121.10162	2.2
123.11726	0.7
127.03952	2.2
131.08595	1.1
135.11679	0.9
145.10176	0.6
147.11728	1.1
183.96669	0.7
185.04216	1.1
243.08511	2.0
315.91620	0.6
325.35635	0.6
335.25784	1.1
519.29266	15.1
797.51709	100.0
798.52142	2.9
804.63324	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.5479
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06615	0.9
60.08160	4.8
71.07371	3.1
72.42856	0.7
86.09702	22.0
97.10083	0.9
98.20768	2.7
98.98431	2.9
104.10718	1.6
124.99094	1.0
124.99996	16.2
133.49509	0.7
184.07330	100.0
185.07677	1.8
186.07739	1.0
216.29655	0.8
234.21997	0.9
448.23950	0.8
778.52728	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	797.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02900	0.6
67.05502	2.7
69.07065	0.8
70.06583	2.8
70.14021	1.5
72.08124	0.5
79.05495	2.8
80.05015	1.8
81.03413	1.3
81.05781	1.0
81.07047	1.4
82.06573	1.8
83.08641	0.6
85.02879	0.6
87.40498	0.4
89.06036	0.9
91.05480	2.7
93.05779	0.6
93.07037	7.0
94.06561	7.4
95.04961	1.5
95.07348	7.9
95.08606	1.8
96.08121	14.8
97.06527	1.7
103.05466	1.7
105.07012	1.1
106.06537	0.8
107.04949	6.8
108.08109	20.1
108.08846	1.0
109.08922	0.6
109.10127	0.7
110.09673	29.0
118.06525	0.6
119.08611	0.6
120.08097	18.7
121.06466	1.4
122.06025	2.4
123.06844	0.7
124.07593	2.1
132.08095	0.6
136.06506	1.0
136.07565	18.2
138.09128	35.7
148.07561	6.6
150.05557	0.6
150.09152	1.7
152.07021	1.7
160.03896	2.5
162.09135	12.9
164.07082	3.8
166.08632	38.7
178.05115	0.9
180.06590	1.4
182.08218	0.6
192.06538	8.0
192.08147	0.8
197.10739	0.8
206.08124	12.6
206.10085	0.7
208.05916	0.7
209.10756	1.8
210.11504	1.0
211.08690	0.5
211.12341	1.3
213.10242	1.3
219.09134	0.7
223.08737	1.0
224.09505	1.0
225.10199	6.4
226.10789	1.1
227.08192	0.9
227.11835	1.9
235.08647	0.9
237.10179	5.8
238.10924	1.8
239.08078	0.9
239.11760	8.0
241.09660	7.1
242.10403	0.5
244.12094	0.5
247.08730	1.0
249.07823	0.3
249.10199	8.9
251.08257	1.4
251.11758	2.7
252.08907	4.1
253.09653	2.5
254.10501	0.9
255.11317	3.6
256.12100	0.9
257.09149	1.1
257.12949	0.9
261.10208	3.3
263.08212	0.5
263.11734	1.0
264.08859	2.8
265.09720	13.2
266.10269	50.2
267.11243	18.1
268.11935	0.7
269.09253	3.9
269.12811	2.0
270.10004	0.5
271.10846	1.3
272.12091	1.1
277.09705	3.9
278.10495	2.6
279.11252	22.6
280.11929	1.5
281.09265	1.2
281.12756	0.9
282.10025	0.7
283.10754	11.5
284.11545	13.8
284.14575	1.0
285.12372	2.0
287.13925	3.3
289.09741	2.5
291.11285	0.6
293.09229	7.8
295.10742	3.0
296.11423	5.0
297.08725	2.6
297.12375	7.4
298.13007	1.1
299.13876	0.8
300.11005	0.8
305.09384	1.3
307.10779	1.7
311.10248	31.6
312.10712	1.8
313.11896	0.9
314.12851	0.7
315.13373	27.3
321.08749	0.7
323.10257	6.4
325.11856	3.2
327.13641	0.6
329.11328	0.9
329.15152	1.0
331.12830	0.7
333.08783	2.5
337.11777	0.8
339.09625	1.0
339.13840	0.5
341.11331	0.8
343.12857	42.5
344.13318	0.9
353.11258	3.0
355.12674	3.3
356.13766	0.7
357.10739	4.7
357.14676	0.8
359.12756	2.0
371.12354	38.8
372.12766	1.4
375.15414	0.7
383.12378	12.3
384.13132	1.8
385.13873	0.9
403.14975	47.1
404.15625	1.9
415.14993	1.2
430.17941	0.9
431.18491	0.9
435.15558	1.7
437.17029	0.8
437.25262	0.7
446.17322	0.9
448.18768	0.6
449.19510	5.0
458.17062	1.0
465.16489	1.1
474.71896	0.6
476.18192	1.2
477.16220	0.9
488.18225	0.9
490.19620	1.5
494.19156	5.7
504.17810	1.4
506.19287	12.4
508.20807	6.0
518.19189	2.2
520.20776	0.6
522.18866	1.6
524.20752	0.6
536.20251	100.0
537.20520	3.7
538.21997	0.9
568.22864	39.8
569.23132	1.3
600.23047	1.4
611.25226	1.1
627.24005	0.9
641.24847	0.7
659.27008	6.1
774.77423	0.5
797.35205	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.5331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79939	0.6
56.05018	0.8
57.07064	0.9
60.08167	6.8
67.05488	1.0
68.36363	0.7
68.88861	0.7
69.07062	0.8
70.21884	3.3
71.07375	3.9
71.07685	0.7
79.05484	1.2
81.07058	1.5
86.09705	33.7
98.20911	1.2
98.21448	0.8
98.98458	3.7
102.54057	0.6
104.10718	2.5
105.07014	2.6
108.35178	0.8
125.00002	22.8
137.62775	0.6
177.20090	0.7
184.07338	100.0
192.92505	0.6
277.24863	0.7
277.27963	0.7
293.21155	1.1
379.80585	0.8
794.53119	3.6
795.52466	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	3.0
61.02679	0.7
61.02931	6.9
67.05206	0.9
67.05504	8.8
69.03423	4.1
69.07058	3.5
69.22536	0.8
69.83650	3.4
70.06586	4.5
71.04998	4.4
73.02903	3.6
79.05485	4.7
81.03403	2.7
81.07045	10.6
83.08635	1.4
85.02908	5.7
85.06516	0.9
87.04444	0.8
91.03966	4.4
91.05479	6.5
93.07018	4.9
95.04975	2.1
95.08605	2.6
97.02881	4.9
97.06538	1.3
99.04438	0.9
101.02360	2.4
105.07034	2.5
107.04958	2.1
107.08601	4.1
109.06510	0.8
109.10139	1.7
117.06958	1.5
119.08564	2.1
121.06528	0.8
121.10126	1.3
123.11661	0.9
125.37463	0.8
127.03894	1.1
128.13777	0.8
131.08553	1.8
133.10136	2.2
135.08029	0.9
135.11725	1.2
145.06380	0.8
145.10075	1.2
149.09537	0.7
149.13274	1.0
151.11159	1.9
159.11719	1.2
172.95038	0.8
239.30746	0.7
243.08319	3.8
255.70078	0.7
267.15915	1.4
333.20419	1.8
335.25684	0.9
422.15106	0.9
453.20837	1.8
485.23544	9.2
551.28149	6.0
615.38232	0.9
624.92578	0.8
633.45325	1.4
795.44849	100.0
796.44977	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	795.449
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	0.5
57.03418	2.3
61.02923	5.1
65.03956	0.5
67.05493	4.7
69.03414	3.4
69.07072	2.2
70.06593	1.5
71.01366	0.8
71.04988	2.6
71.60518	0.5
71.60870	0.6
73.02905	4.4
79.05488	5.1
81.03412	4.0
81.07047	5.6
83.04987	0.7
83.08595	1.1
85.02892	4.9
86.09714	0.6
87.04465	1.0
91.00516	0.5
91.03937	3.3
91.05473	5.4
93.07033	6.0
95.04968	1.7
95.08581	3.1
97.02872	4.7
97.06576	0.6
97.10198	0.5
99.04468	1.1
101.02371	2.1
105.03376	0.4
105.07009	4.5
105.07536	0.4
107.04971	1.0
107.08587	3.0
109.02911	0.5
109.06503	0.7
109.10170	1.8
111.08108	0.7
115.05473	0.5
115.17984	0.4
117.07036	1.1
117.74689	0.4
119.08569	3.1
121.06451	1.0
121.10117	2.6
123.08030	0.6
123.11699	0.5
127.03917	1.6
129.07010	1.0
131.08583	1.7
133.10123	2.7
135.11671	0.9
136.68997	0.5
137.09634	0.5
141.38419	0.4
143.08569	0.7
145.10182	0.8
147.11700	1.8
149.09650	1.5
149.13268	0.5
157.10164	0.6
159.11708	0.6
171.11710	0.5
175.11223	0.9
193.12303	1.2
231.17534	0.4
231.80922	0.5
243.08311	3.9
267.15973	0.9
274.92200	0.4
283.06143	0.7
283.15048	3.8
301.09113	1.4
315.10745	0.7
317.20926	0.8
335.30646	0.5
339.17764	1.1
377.39566	0.5
381.18958	0.5
465.20755	0.8
469.20261	0.7
471.22253	0.5
485.23816	0.9
501.22971	10.2
502.23688	0.6
535.28790	5.7
573.25214	1.6
697.39270	0.5
795.44891	100.0
796.45331	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	794.5328
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	0.6
58.06607	0.5
60.08163	6.3
64.20641	0.2
69.58695	1.9
71.00976	0.2
71.07374	3.4
73.00607	0.2
81.72041	0.2
86.09706	27.8
98.98471	3.5
104.10764	2.0
119.85260	0.2
125.00008	18.9
143.01027	0.7
147.21689	0.3
166.02695	0.3
169.75427	0.2
181.49620	0.2
184.07346	100.0
185.07654	0.5
214.42337	0.2
267.30212	0.2
274.36606	0.3
380.53220	0.2
446.10574	0.2
470.20166	0.3
776.51935	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	793.5297
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77489	0.5
57.03454	0.5
57.07069	20.5
59.04983	1.4
65.36987	0.5
67.05484	1.1
69.03408	0.7
69.07066	2.8
71.08623	37.7
73.02901	1.5
73.06544	4.3
76.53658	0.5
79.05492	1.3
80.93816	0.5
85.10169	17.9
87.03909	1.1
87.04459	36.3
89.06020	100.0
91.05470	13.3
91.07565	0.6
93.07043	5.4
95.04972	3.1
95.08558	1.1
103.05460	2.4
105.07005	5.7
105.76987	0.5
107.04939	4.0
107.07066	4.7
107.08600	2.4
115.05495	0.6
117.07030	2.1
117.09133	2.0
118.07745	0.5
119.04932	3.0
119.08557	6.1
121.06483	18.5
121.10144	1.7
123.08035	1.2
127.14873	1.2
130.08652	2.3
131.07021	10.5
131.08571	1.3
133.08589	58.2
135.08055	6.8
135.11699	2.3
136.05093	0.8
145.10110	1.2
147.08029	8.9
147.11662	0.6
149.09628	9.6
149.70505	0.5
150.06758	4.0
161.09662	0.9
161.11732	0.6
163.07510	0.7
163.11121	3.5
164.08325	1.2
165.09126	5.2
167.10672	1.4
173.09628	0.9
175.09669	5.1
175.11183	1.2
177.11217	16.9
177.12645	1.1
189.12802	0.9
191.10675	3.2
193.10754	0.8
193.12195	2.6
207.10225	0.6
207.13815	0.7
209.11748	2.4
211.13339	1.5
221.13644	0.8
229.38809	0.7
235.13351	1.4
237.14851	0.7
243.46725	0.5
247.20560	14.4
247.23082	0.8
255.16003	1.4
273.22104	3.6
279.15839	0.7
289.25229	2.2
291.23151	23.3
299.18552	0.8
317.24802	0.9
335.25876	2.3
380.56628	0.6
604.77960	0.7
783.12018	0.6
793.56183	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.435
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	1.4
57.03431	3.7
61.02921	7.4
67.05503	11.8
69.03425	2.9
69.07069	5.6
70.04067	4.9
70.06602	1.1
70.12505	2.8
71.04977	2.1
73.02912	4.3
74.77578	0.9
79.05482	8.7
81.03411	4.6
81.07040	9.7
83.04960	2.0
83.08613	2.7
85.02895	6.7
86.61523	1.0
91.03963	3.4
91.05469	8.9
93.07034	8.8
95.04955	4.3
95.08592	5.4
97.02891	6.6
97.06528	1.5
97.10183	2.5
99.04530	1.2
99.08065	1.1
101.02392	2.5
105.07025	5.1
107.04971	2.7
107.08556	4.5
109.06521	2.0
109.10159	2.5
111.08099	0.9
115.03859	0.8
117.07048	1.8
119.08564	4.7
120.55549	0.9
121.06538	1.9
121.10138	2.5
123.08102	1.5
127.03941	1.8
129.07010	2.1
131.08565	1.7
133.10179	2.4
135.11722	1.8
145.10170	2.7
147.11723	3.2
149.09570	1.5
159.11771	1.5
173.11720	1.2
202.53322	1.0
243.08536	3.5
269.17383	1.6
285.16937	1.3
338.95273	1.0
351.21063	2.0
465.20932	7.3
485.20349	1.7
549.27032	1.4
569.29010	6.8
618.93976	0.9
712.81262	1.0
793.42938	100.0
794.43958	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05263	0.9
55.05510	13.2
55.81495	0.9
57.03436	10.3
57.07068	1.9
61.02920	2.4
65.03943	3.1
67.05499	63.3
69.03400	1.1
69.07059	17.0
70.91131	2.7
71.04991	2.4
72.96740	0.8
77.03899	0.9
79.05487	38.7
81.03434	1.1
81.07050	61.4
83.04974	1.0
83.08610	7.1
85.02897	2.6
85.06552	2.5
88.06895	0.8
91.03961	1.9
91.05474	21.9
93.07035	47.4
95.04939	4.5
95.08600	47.0
97.02847	1.9
97.06528	3.1
97.10159	4.0
105.07027	17.5
107.08588	23.8
109.06512	1.7
109.10147	24.0
117.06999	7.7
119.08568	15.7
121.10133	20.2
123.08072	0.8
123.11691	9.3
125.09638	1.6
129.06995	1.0
131.08562	11.7
133.10136	12.3
135.08086	0.9
135.11685	15.7
137.13264	2.3
139.11143	1.3
143.08563	2.0
145.10095	9.2
147.11687	9.5
149.13264	9.2
157.10175	2.2
159.11710	9.2
161.13261	8.2
163.14822	4.1
171.11726	1.3
173.13237	6.8
175.14799	3.4
185.13268	2.1
187.14877	2.7
189.16312	1.2
199.14745	1.5
201.16304	2.0
203.17914	1.1
218.68355	0.9
221.95503	0.9
231.21181	1.3
241.19484	3.0
243.21129	5.4
257.18906	1.1
259.20551	7.0
261.22122	18.4
263.23651	1.9
303.24011	1.0
317.24780	3.8
333.24170	4.7
335.25778	100.0
336.25977	2.2
337.27377	11.4
512.52502	1.1
521.43329	2.1
552.28815	1.0
588.96021	0.9
595.47089	13.5
613.48346	9.5
700.57440	1.1
768.00409	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	6.0
55.05505	25.3
56.58998	1.0
56.99123	1.0
57.03431	10.9
57.07063	2.6
59.04998	2.2
61.02915	4.6
65.03922	3.5
65.80383	1.1
67.05496	74.0
69.03427	8.0
69.06715	1.8
69.07061	27.0
69.46133	9.1
71.04984	34.6
71.08630	1.2
71.21011	0.9
72.99821	1.1
73.02890	1.7
79.05482	46.3
81.03413	12.0
81.07048	100.0
82.03780	1.1
83.04986	10.9
83.08612	15.5
85.02906	6.5
85.06545	9.5
86.09732	1.6
87.04462	1.4
89.06033	1.7
91.05470	51.2
92.05772	1.4
93.07033	44.1
95.04965	11.1
95.06002	1.0
95.08595	25.9
97.02893	5.1
97.06521	16.1
97.10158	13.2
99.04440	2.5
99.08082	3.2
105.07018	34.3
106.07346	1.4
107.04947	8.8
107.08579	35.0
107.09284	2.1
108.08904	1.6
109.02891	1.7
109.06467	6.0
109.10137	15.4
109.33137	1.1
111.04490	1.5
111.08091	5.1
111.11786	1.5
113.09653	1.8
117.06993	14.5
119.04960	1.2
119.08556	16.8
121.06500	4.6
121.10122	15.4
123.08075	3.6
123.11697	14.9
125.09618	8.8
127.03897	2.1
128.06245	1.5
129.07022	4.2
131.08554	15.7
133.10112	30.6
135.08031	4.2
135.11697	11.5
137.09668	1.4
143.08556	3.6
145.06483	1.2
145.10129	12.1
147.08049	2.8
147.11653	7.9
149.09601	10.1
149.13252	11.2
149.66212	1.2
151.11143	9.9
153.09120	1.5
155.08553	1.9
157.10129	4.6
159.11653	14.3
161.13254	4.6
163.11142	6.5
169.10060	2.4
171.11650	2.4
173.04454	1.8
173.13251	3.0
175.11186	1.7
177.12741	5.1
179.14310	3.2
181.12234	1.4
183.11664	1.2
183.13809	4.5
184.07364	3.4
187.13304	4.4
189.11232	4.2
195.12155	1.1
195.13721	6.1
201.14853	2.0
209.13496	1.3
210.06006	1.0
211.14775	1.4
217.16026	1.5
225.14859	3.5
227.12738	15.4
239.18092	1.6
243.15927	2.6
257.18951	4.5
267.15836	3.0
269.17389	11.3
275.17068	0.8
275.20004	25.1
291.19360	1.7
293.21008	2.4
301.20026	25.3
315.14026	1.1
331.22589	2.5
333.24426	1.1
349.23715	18.8
397.25806	2.2
419.27844	1.4
423.27133	5.5
427.26981	6.2
437.28955	12.8
439.26364	2.0
449.29019	12.0
451.30582	5.1
455.30350	1.5
463.30539	12.3
481.31641	3.1
489.35355	1.9
495.33112	21.5
499.34482	6.6
503.33356	1.7
515.37054	1.8
517.35229	49.9
525.35846	2.6
531.36792	6.1
535.36328	1.8
543.36542	25.9
549.37476	1.6
557.29205	1.4
561.37793	1.4
575.39429	17.8
581.33234	2.7
593.40045	3.4
607.34552	2.9
790.47662	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.3
55.05261	2.1
55.05507	32.3
57.03429	14.6
57.07055	2.3
61.02908	4.2
65.03928	3.7
67.05499	79.0
67.05869	3.7
69.03425	10.3
69.07066	23.1
70.17873	9.1
71.04986	15.9
73.02901	2.5
79.05487	56.9
81.02972	3.6
81.03413	43.1
81.07049	71.8
83.04967	7.7
83.08619	18.8
85.02888	5.0
85.06541	4.4
86.09706	2.0
91.05470	63.4
91.89310	1.7
93.07034	61.3
95.04961	25.1
95.08601	35.7
97.02870	4.5
97.06495	10.3
97.10149	11.8
98.21369	2.4
99.08090	4.0
101.05903	1.9
105.07023	57.1
107.04942	12.3
107.08591	34.3
109.06495	6.2
109.10141	22.7
111.08062	4.8
115.05432	4.1
117.07002	22.6
119.08570	39.5
121.06493	7.0
121.10127	22.3
123.08041	7.2
123.11702	6.9
125.09621	10.1
128.06224	3.4
129.06975	18.2
131.08560	34.1
133.06421	1.9
133.10124	37.2
135.08015	5.2
135.11662	15.6
137.05951	1.9
137.09610	4.4
139.11110	2.8
141.07011	5.6
142.07770	5.1
143.08549	12.9
145.06520	2.2
145.10106	24.2
147.08025	4.3
147.11665	19.6
149.09586	6.1
149.13275	10.1
151.11160	4.9
155.08524	5.5
157.10118	15.7
159.11679	22.5
161.09625	2.2
161.13251	10.8
163.11160	5.4
163.14799	2.2
167.08620	2.2
169.10129	9.1
171.11691	11.0
173.09616	3.8
173.11807	3.2
173.13190	11.3
175.11194	4.4
175.14784	3.7
177.12790	3.0
181.10068	2.1
183.11665	5.8
184.07307	5.2
185.13272	6.6
187.13219	2.8
189.11180	7.3
189.12700	2.8
190.12366	2.2
193.12216	6.3
195.11676	5.8
197.13255	5.6
199.13213	2.2
199.14864	4.7
209.13266	3.9
211.14842	3.2
215.14211	2.1
217.15964	2.8
223.14935	2.2
227.12733	10.9
229.14252	4.9
241.19475	3.8
257.18970	2.5
259.20520	16.0
266.04407	2.0
267.15872	19.2
269.17395	4.8
275.20068	8.6
283.20267	2.0
291.19522	7.2
294.16876	1.9
299.14868	2.6
299.20377	2.5
299.23688	7.3
301.16815	2.4
301.20099	7.4
313.21567	3.4
321.22287	1.9
329.60385	1.9
333.24213	13.1
349.23792	4.4
365.23373	2.4
415.29956	3.1
417.26733	2.5
421.25769	7.5
423.27390	2.9
433.30939	13.2
435.27582	5.3
437.28827	4.1
449.28922	4.8
451.31799	10.3
463.30209	2.7
469.32968	5.1
481.32480	2.8
495.33051	5.7
499.34344	4.6
503.33444	2.7
507.34464	5.5
517.35138	18.4
519.33081	2.3
525.35675	50.2
543.36768	100.0
557.38379	12.2
575.39667	18.3
759.35791	2.9
791.36938	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	790.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	6.0
55.05505	25.3
56.58998	1.0
56.99123	1.0
57.03431	10.9
57.07063	2.6
59.04998	2.2
61.02915	4.6
65.03922	3.5
65.80383	1.1
67.05496	74.0
69.03427	8.0
69.06715	1.8
69.07061	27.0
69.46133	9.1
71.04984	34.6
71.08630	1.2
71.21011	0.9
72.99821	1.1
73.02890	1.7
79.05482	46.3
81.03413	12.0
81.07048	100.0
82.03780	1.1
83.04986	10.9
83.08612	15.5
85.02906	6.5
85.06545	9.5
86.09732	1.6
87.04462	1.4
89.06033	1.7
91.05470	51.2
92.05772	1.4
93.07033	44.1
95.04965	11.1
95.06002	1.0
95.08595	25.9
97.02893	5.1
97.06521	16.1
97.10158	13.2
99.04440	2.5
99.08082	3.2
105.07018	34.3
106.07346	1.4
107.04947	8.8
107.08579	35.0
107.09284	2.1
108.08904	1.6
109.02891	1.7
109.06467	6.0
109.10137	15.4
109.33137	1.1
111.04490	1.5
111.08091	5.1
111.11786	1.5
113.09653	1.8
117.06993	14.5
119.04960	1.2
119.08556	16.8
121.06500	4.6
121.10122	15.4
123.08075	3.6
123.11697	14.9
125.09618	8.8
127.03897	2.1
128.06245	1.5
129.07022	4.2
131.08554	15.7
133.10112	30.6
135.08031	4.2
135.11697	11.5
137.09668	1.4
143.08556	3.6
145.06483	1.2
145.10129	12.1
147.08049	2.8
147.11653	7.9
149.09601	10.1
149.13252	11.2
149.66212	1.2
151.11143	9.9
153.09120	1.5
155.08553	1.9
157.10129	4.6
159.11653	14.3
161.13254	4.6
163.11142	6.5
169.10060	2.4
171.11650	2.4
173.04454	1.8
173.13251	3.0
175.11186	1.7
177.12741	5.1
179.14310	3.2
181.12234	1.4
183.11664	1.2
183.13809	4.5
184.07364	3.4
187.13304	4.4
189.11232	4.2
195.12155	1.1
195.13721	6.1
201.14853	2.0
209.13496	1.3
210.06006	1.0
211.14775	1.4
217.16026	1.5
225.14859	3.5
227.12738	15.4
239.18092	1.6
243.15927	2.6
257.18951	4.5
267.15836	3.0
269.17389	11.3
275.17068	0.8
275.20004	25.1
291.19360	1.7
293.21008	2.4
301.20026	25.3
315.14026	1.1
331.22589	2.5
333.24426	1.1
349.23715	18.8
397.25806	2.2
419.27844	1.4
423.27133	5.5
427.26981	6.2
437.28955	12.8
439.26364	2.0
449.29019	12.0
451.30582	5.1
455.30350	1.5
463.30539	12.3
481.31641	3.1
489.35355	1.9
495.33112	21.5
499.34482	6.6
503.33356	1.7
515.37054	1.8
517.35229	49.9
525.35846	2.6
531.36792	6.1
535.36328	1.8
543.36542	25.9
549.37476	1.6
557.29205	1.4
561.37793	1.4
575.39429	17.8
581.33234	2.7
593.40045	3.4
607.34552	2.9
790.47662	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05016	1.3
60.04534	1.4
61.74369	1.3
65.03939	2.2
67.05497	7.2
69.03433	1.3
70.02948	1.5
70.06592	19.7
71.60484	1.7
72.08163	2.8
79.05489	3.1
81.03416	3.9
81.07039	1.8
82.06573	1.9
84.04518	1.8
84.08145	7.0
85.02899	3.5
86.09711	6.9
87.04462	1.7
91.05491	2.4
93.07051	1.4
94.06568	2.2
95.04970	6.0
95.06081	3.8
98.06062	2.1
98.97548	1.4
102.05512	1.4
103.05531	1.4
103.57103	1.6
106.06542	7.0
107.04947	16.7
108.08070	2.5
110.06034	5.2
110.07152	2.7
112.08733	1.6
117.06995	1.4
120.08096	5.0
121.02898	3.0
121.08912	2.5
122.06055	3.0
124.07601	6.4
129.10228	2.9
133.06418	1.4
134.09683	1.7
136.07561	5.6
137.05981	4.1
138.05479	29.3
140.07071	1.9
145.05028	1.4
146.02820	1.6
146.06009	8.7
148.07593	4.5
150.05516	2.7
150.09128	1.8
152.07060	12.9
154.08636	2.2
156.06535	14.8
160.03952	2.0
163.03970	1.7
164.07109	3.6
166.08623	68.3
172.03987	1.7
174.05519	2.4
174.09196	1.9
181.08649	1.4
190.05029	2.8
190.08646	5.1
192.06544	1.9
192.10274	2.0
198.09206	2.0
199.08649	1.9
201.10277	1.6
204.06555	2.4
206.08165	4.2
209.10649	2.3
211.12338	2.4
212.10934	2.6
213.10179	2.4
218.08255	3.2
219.07930	1.5
225.08179	1.7
225.10240	5.1
227.11839	3.8
231.11311	2.0
237.10176	6.6
239.09367	7.9
239.11714	3.1
240.10358	1.7
241.09654	3.7
242.11751	4.5
243.11290	4.6
244.09663	12.1
245.12869	2.1
249.10275	1.8
250.10873	3.0
251.11758	8.4
252.08876	1.9
252.12476	1.8
253.09764	3.5
253.13179	2.0
255.11357	2.6
257.10385	2.3
257.12860	1.8
258.48209	1.7
259.10773	7.8
260.12854	2.2
263.11707	2.2
265.09711	7.1
265.13156	2.1
266.08090	3.7
267.11285	5.8
268.09393	1.7
269.12836	4.9
271.10818	4.9
272.12796	33.0
273.13062	1.5
277.09613	2.5
279.11285	4.9
281.09213	4.8
282.11121	4.1
283.10831	11.5
285.12329	22.6
287.10727	2.2
287.13910	7.3
293.09058	1.6
295.10760	3.5
297.12259	9.3
303.13452	3.0
304.14386	1.6
305.14944	5.7
309.12137	1.5
311.06970	1.7
311.10260	38.7
311.13629	2.5
313.11716	12.4
315.13547	3.6
316.14575	3.4
318.16003	1.8
323.15994	13.3
325.11777	5.7
326.10153	3.5
327.07584	1.6
328.14676	1.7
329.11319	8.8
329.15198	1.4
330.12360	3.6
330.16040	3.1
331.13184	3.5
332.13934	3.8
339.13403	1.8
342.12534	2.4
343.12891	31.9
344.14102	8.4
344.17691	2.4
346.15689	2.6
348.17264	1.7
349.18085	2.4
356.14081	2.7
357.14914	3.4
358.15479	16.5
360.17084	3.4
361.13953	1.9
362.18542	4.5
370.15674	2.0
371.16592	2.3
372.13354	3.9
372.17444	2.9
374.14993	5.7
375.15680	2.8
376.16476	6.7
377.17383	6.1
378.17902	1.5
384.13239	2.9
385.13992	2.2
386.14499	2.6
386.18973	2.2
388.16739	7.2
389.17392	16.4
390.14301	4.3
390.18134	6.2
402.18234	3.5
403.14505	2.2
403.19122	3.4
404.15717	4.9
404.19739	5.6
407.18365	3.8
408.18927	4.6
416.16135	4.3
417.16861	5.8
418.17383	8.4
420.19476	2.5
421.16290	2.0
430.17786	5.3
432.19168	7.8
433.16708	5.0
434.16745	4.3
435.17902	10.3
436.18704	8.1
440.15469	2.0
448.18631	77.9
449.19351	3.1
450.20206	43.4
451.20505	1.8
458.16949	5.6
462.16394	5.5
464.17886	2.0
476.18134	100.0
477.18719	4.5
478.20032	1.6
494.19177	27.5
508.20770	67.4
509.21341	3.0
529.24146	2.3
553.23981	1.9
555.22467	6.4
570.22290	24.5
571.23114	2.0
573.23303	14.3
589.26807	7.5
597.23486	15.2
602.25244	6.7
605.25842	12.5
615.24292	20.4
616.23218	1.7
622.78448	1.6
629.26288	6.9
633.25439	97.6
647.27148	5.4
665.28076	44.6
789.42731	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	788.5433
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	0.7
58.06599	0.5
60.08160	5.2
67.05478	0.3
69.26672	3.4
71.07365	3.5
86.09700	28.9
86.94358	0.4
89.06049	0.5
95.08583	0.5
98.21143	1.9
98.98460	2.9
103.05164	0.3
104.10750	2.7
105.07027	2.8
124.99995	18.7
127.24841	0.4
184.07326	100.0
185.07712	0.4
359.74429	0.5
410.43262	0.4
690.47351	0.8
770.52985	0.5
788.55255	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	7.0
55.05256	2.2
55.05506	25.5
57.03432	7.4
57.07063	1.8
58.06581	1.2
59.04993	3.4
61.02901	3.2
62.24921	1.2
65.03934	3.2
65.75834	1.3
67.05499	58.5
68.05808	2.2
69.03432	12.1
69.06718	2.4
69.07063	30.4
69.62571	3.1
69.62976	6.9
70.06580	2.0
71.04990	22.1
72.08152	3.0
73.02911	2.4
79.05055	2.4
79.05490	35.1
81.03403	8.4
81.07050	81.1
83.04968	5.4
83.08605	13.0
85.02892	3.8
85.06525	4.3
86.09712	1.4
87.04442	1.8
89.06011	3.4
91.05473	35.3
93.07036	26.1
95.04965	10.1
95.08600	19.4
97.02888	14.3
97.06504	8.1
97.10162	10.3
98.21471	2.6
99.08117	1.7
101.06012	1.4
105.07021	24.4
107.04923	8.8
107.08590	19.3
109.02851	1.6
109.06505	5.3
109.10134	14.1
109.44952	1.2
111.08049	2.3
117.07011	10.3
118.06537	3.5
119.08573	15.5
121.06480	5.1
121.10132	10.8
123.08035	3.8
123.11693	11.6
125.09605	9.5
129.06982	3.8
131.08563	10.7
133.06494	2.2
133.10127	18.4
135.08026	4.2
135.11667	4.9
143.08540	5.1
145.10165	8.0
147.08022	5.9
147.11664	5.2
149.09627	3.0
149.13234	5.6
151.11150	6.8
153.09120	1.9
155.08423	1.6
157.10143	4.5
159.11746	6.1
161.09624	3.0
161.13274	1.6
162.09123	3.9
163.09914	1.6
165.09082	2.8
169.10092	2.6
169.12233	1.7
171.11565	2.5
173.11888	1.3
173.13274	2.7
175.11143	2.7
177.12743	2.2
180.97296	1.2
181.09970	1.3
183.13754	1.7
185.13272	1.9
187.13231	2.9
189.11105	2.0
189.12712	1.4
193.12175	1.8
195.11656	1.3
195.13686	3.0
197.13237	1.3
205.12241	3.1
213.12772	1.7
223.13242	17.7
227.12730	5.1
229.14267	1.6
230.15312	6.9
245.18956	2.4
249.14993	2.7
262.18085	1.3
267.15915	2.3
269.17413	7.3
273.18521	12.1
275.20200	2.4
291.19510	80.5
292.19040	17.7
301.20068	18.0
309.20319	1.6
347.22101	1.7
365.23270	21.8
386.36273	1.3
510.26987	2.4
513.34937	1.8
515.33582	4.6
533.34705	100.0
534.34747	3.2
541.35150	2.8
547.36310	16.4
559.36273	53.5
560.36096	2.4
591.38818	32.6
608.43878	2.9
626.44690	8.5
787.59491	3.2
788.47748	19.1
788.59894	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99087	1.6
55.01867	18.3
55.05506	36.6
56.96557	1.4
57.03428	11.7
57.07061	3.1
58.77084	1.3
61.02917	16.5
62.06097	2.4
65.03931	5.0
67.05499	79.4
69.03418	16.7
69.07063	30.4
70.06579	1.8
71.01323	1.9
71.04983	8.2
71.08626	1.6
71.59875	2.1
73.02915	8.0
73.06558	1.4
79.05486	54.6
80.05824	1.6
81.03415	20.9
81.07049	64.6
82.07359	1.8
83.04967	7.3
83.08615	17.5
85.02898	19.2
85.06507	3.3
87.04437	2.1
89.06030	1.7
91.03934	7.0
91.05474	52.6
93.07035	51.6
94.06703	1.4
94.07366	1.7
95.04950	14.7
95.08596	46.5
97.02885	16.4
97.06514	14.6
97.10157	10.9
99.04440	3.2
99.08083	2.3
101.02335	2.0
103.05484	1.8
105.07023	53.3
107.04964	10.6
107.08583	34.3
109.02866	6.9
109.06496	8.4
109.10145	27.5
111.08083	6.8
115.05418	3.4
115.33975	1.4
116.07070	1.6
117.07012	26.7
119.08566	39.3
121.06528	4.4
121.10132	17.8
122.10464	1.6
123.08076	5.7
123.11707	7.6
125.09631	6.4
127.03916	4.5
128.06226	6.2
129.06996	20.3
130.07762	1.4
131.08556	32.6
133.06491	3.5
133.10118	28.2
135.08061	6.4
135.11684	9.4
137.09612	4.4
139.11208	2.4
141.07028	6.9
142.07788	4.8
143.08534	26.9
144.09244	2.2
145.06462	2.7
145.10112	26.8
147.08037	4.2
147.11674	18.2
149.09616	6.0
149.13211	5.3
151.11192	2.5
153.06990	2.8
154.07874	2.1
155.08548	19.5
156.09390	3.1
157.06512	1.7
157.10106	21.6
159.08076	2.5
159.11667	24.3
161.09628	4.5
161.13220	9.0
163.11238	3.9
163.14899	1.9
165.06995	2.3
165.12727	3.2
166.07748	2.2
167.08553	8.6
169.10109	18.9
170.10886	1.4
171.10243	3.1
171.11659	23.8
173.04417	2.6
173.09607	2.5
173.11839	2.6
173.13219	12.1
175.11133	3.4
175.14793	3.9
177.12709	2.4
179.08597	3.6
180.09268	1.7
181.10086	9.6
182.10883	1.6
183.08032	2.3
183.11685	18.6
184.07309	2.1
185.09593	3.4
185.13223	12.4
187.11171	3.4
187.13324	2.4
187.14854	4.3
189.11177	3.7
193.10179	4.4
193.12181	1.6
195.11697	9.0
197.13242	13.5
199.11307	2.0
199.14867	7.8
201.12724	2.4
201.16440	3.3
203.14308	1.8
205.10011	3.2
207.11674	4.0
207.13519	1.4
209.13225	8.7
210.14931	2.7
211.14832	10.3
213.12738	2.4
213.16449	4.9
215.14427	1.6
215.18015	2.9
219.11778	2.5
221.00485	1.3
221.13292	3.6
222.13860	2.3
223.14815	4.3
225.12717	1.6
225.16412	4.3
227.12718	3.2
227.18048	3.0
229.14249	6.7
235.14771	4.1
237.16382	3.9
239.18021	4.0
241.19598	5.6
249.16365	2.1
251.17902	1.7
255.17488	1.6
257.19028	6.6
259.20609	10.8
261.22018	2.2
267.16043	4.5
271.20398	2.2
273.18427	1.9
275.20056	18.5
285.22159	1.7
301.21609	3.1
311.23404	1.7
313.21652	2.1
315.23199	2.1
323.23615	1.8
327.23230	1.9
333.24506	6.9
335.25702	4.4
339.23303	1.8
349.24008	8.1
365.24268	1.7
365.28397	3.9
379.29968	5.0
385.23770	1.8
403.29706	1.7
421.30936	4.4
431.23572	1.6
487.10794	1.5
487.34216	2.4
495.34457	3.4
513.35669	24.3
515.38525	5.6
527.37274	4.9
531.37061	1.9
533.39752	5.1
541.35236	3.2
543.36255	2.4
551.40833	5.2
555.36273	1.8
581.42029	2.1
589.42444	3.0
607.43512	51.0
608.44360	2.5
625.44580	100.0
626.44647	5.1
643.44336	1.9
721.45789	2.4
733.46155	1.9
751.47443	3.6
769.49152	10.7
787.48840	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	787.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	6.0
55.05505	31.7
57.03434	12.9
57.07066	3.3
59.09402	3.6
61.02901	7.8
65.03947	4.7
67.05500	71.9
69.03424	10.8
69.07069	25.0
69.27287	30.2
71.04980	5.2
71.68718	2.9
73.02915	5.2
79.05056	4.1
79.05489	66.3
81.03403	12.0
81.07051	85.4
83.04971	8.1
83.08595	14.9
85.02921	6.7
85.06527	4.0
89.06017	4.4
91.03971	4.1
91.04896	3.1
91.05472	63.9
93.07040	60.4
95.04977	17.9
95.08040	4.7
95.08604	56.6
97.02910	7.2
97.06504	6.9
97.10169	10.8
103.05446	5.7
105.06371	5.1
105.07024	66.1
105.07677	5.2
107.04959	6.3
107.08581	30.2
109.06509	9.2
109.10159	20.4
115.05476	6.1
115.64157	2.7
117.07024	38.8
119.04963	3.0
119.08557	29.0
121.06494	8.0
121.10124	23.5
123.08047	11.7
123.11718	5.0
125.09634	9.0
127.03889	4.4
128.06209	14.5
129.06996	26.9
130.07785	5.9
131.08556	57.1
133.06490	6.8
133.10167	18.3
135.08032	6.4
135.11684	14.0
136.80089	2.8
137.09575	3.9
141.07007	9.5
142.07808	7.6
143.08563	42.6
145.06412	6.1
145.10110	64.7
147.08064	8.1
147.11661	12.3
149.09596	8.9
149.13243	5.2
155.08548	6.3
157.10120	18.5
159.08035	6.2
159.11667	14.7
161.09641	13.0
161.13167	5.8
163.11165	7.0
165.06964	2.8
167.08682	2.5
169.10123	13.3
171.11688	14.3
173.09700	4.3
173.13261	5.1
175.11145	8.9
175.14908	3.1
177.12767	6.5
181.10060	8.5
182.36932	3.1
183.11710	8.6
185.13229	4.9
187.11145	2.9
189.12733	4.6
195.11685	10.1
197.13298	3.9
199.14771	3.8
205.12350	3.2
209.13327	3.0
225.12662	3.4
227.12714	3.1
227.17909	6.0
237.14104	2.9
237.16183	13.4
245.19006	6.4
255.17438	21.2
261.22144	7.9
273.18475	62.8
291.19540	8.9
335.21985	5.7
335.25784	100.0
347.22141	32.3
561.37354	4.7
607.43457	37.6
625.44684	13.1
787.46149	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	17.8
55.05507	37.9
57.03436	16.8
57.07071	8.3
61.02916	22.1
64.37944	1.9
65.03942	3.2
65.15938	1.9
67.05499	84.4
69.03422	19.0
69.07064	37.5
69.65603	6.2
69.66012	8.4
71.01376	2.5
71.04984	8.6
71.08624	3.5
72.08130	2.0
73.02904	10.0
75.04465	2.1
79.05492	61.1
81.03411	19.8
81.07050	76.9
81.07519	5.0
83.04974	9.6
83.08615	20.9
84.08975	2.0
85.02904	19.0
85.06525	6.8
87.04472	2.9
89.06025	4.9
91.03945	8.6
91.05473	62.2
93.07034	62.0
95.04974	15.6
95.08595	57.5
95.09159	4.5
96.35710	2.2
97.02886	19.1
97.06529	21.2
97.10172	10.1
99.04431	2.6
99.08098	5.4
103.05460	4.0
105.07025	59.4
106.17110	2.1
107.04951	9.9
107.08590	34.6
109.02874	4.4
109.06505	15.2
109.10146	23.5
111.04360	2.8
111.08100	5.6
113.09643	2.5
117.07002	29.9
119.08576	43.9
121.06516	6.3
121.10123	26.0
123.08048	7.9
123.11694	6.0
125.09624	8.1
127.03893	7.2
127.07435	2.5
128.06236	7.9
129.07007	20.1
130.07802	3.6
131.04832	3.0
131.08565	35.7
133.06479	2.8
133.10127	34.4
135.08083	10.9
135.11653	16.1
137.09549	5.3
139.11098	2.3
140.05545	2.3
141.07018	10.5
142.07762	7.1
143.08553	32.3
145.06468	3.9
145.10109	30.5
147.08075	5.2
147.11711	18.6
149.09650	7.8
149.13286	6.0
151.11182	3.7
153.07028	2.7
155.08549	19.9
156.09259	3.9
157.10110	29.5
159.08052	3.6
159.11662	21.3
161.09633	8.0
161.13254	9.6
163.11136	6.1
165.07062	2.2
165.12662	2.7
166.07764	2.6
167.08578	9.6
167.82614	2.4
168.09329	5.1
169.10130	21.8
169.12140	2.9
171.08028	2.3
171.10326	4.1
171.11647	20.0
173.09578	2.4
173.13248	14.9
175.11166	4.0
175.14813	4.9
179.08559	7.1
179.14378	4.1
181.10129	14.3
183.11676	22.3
185.09674	3.3
185.13269	15.4
187.11172	3.5
187.14824	9.2
189.11171	3.4
189.12740	3.6
189.16428	2.8
191.14316	2.8
193.10150	8.4
193.12207	2.7
195.11717	17.6
197.13275	16.2
199.11163	3.3
199.14825	9.0
201.12622	2.8
201.16362	2.5
203.14395	3.7
203.17865	2.2
205.10109	2.8
207.11734	7.1
209.13246	12.6
211.14825	7.2
213.16336	5.2
215.17880	2.4
219.11708	3.8
221.13342	4.5
223.14806	10.0
225.16379	6.6
227.12794	6.7
227.18127	2.6
227.20090	10.2
228.20346	4.8
228.27464	2.5
233.13182	2.7
235.14929	3.6
237.16367	5.8
239.18115	2.8
241.19614	3.3
249.16501	2.7
251.17899	3.4
253.15582	2.6
257.18906	3.0
259.20587	8.1
261.53702	2.3
263.18024	2.9
273.18552	8.0
275.20093	17.5
297.22086	3.0
299.20462	3.1
311.20029	2.6
315.23166	2.9
323.23505	3.8
325.21619	3.4
333.24026	7.2
335.25827	7.5
343.23422	3.0
347.22552	4.5
349.23822	9.4
363.26929	3.3
365.28531	3.3
377.28223	2.8
405.26663	3.5
495.34686	3.1
513.35956	23.6
515.38574	9.6
525.35815	3.2
527.37280	3.7
529.38428	2.5
531.08429	2.4
533.39850	8.2
539.37384	5.8
541.38452	4.0
543.37543	2.6
551.41083	5.1
553.38843	5.5
567.40295	4.3
569.42419	2.6
589.42389	3.9
605.42297	2.5
607.43488	65.5
625.44574	100.0
626.44525	4.3
733.45807	2.7
751.46783	5.1
769.48523	6.1
787.48187	16.6
787.61536	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	787.4979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	18.3
55.05256	2.8
55.05506	33.6
57.03435	13.0
57.07075	3.0
59.04999	2.0
61.02914	16.1
65.03945	2.5
67.05496	81.7
69.03422	13.5
69.07062	30.9
71.04975	7.5
71.88569	1.7
73.02894	10.0
79.05053	3.4
79.05486	46.1
81.03413	13.0
81.07051	61.4
83.04976	8.6
83.08618	16.4
85.02894	17.1
85.06522	3.8
91.03944	7.2
91.05479	49.4
93.07040	48.9
95.04968	11.9
95.08596	38.2
97.02877	13.9
97.06514	17.0
97.10175	11.4
98.20706	4.1
99.04484	2.2
99.08073	3.5
103.05431	1.9
105.07023	46.5
107.04961	8.6
107.08580	33.6
109.02824	2.5
109.06500	4.6
109.10151	27.1
111.04420	2.2
111.08061	4.7
115.05453	5.4
117.07008	24.6
119.08559	32.3
121.06487	4.2
121.10124	16.7
123.08057	5.5
123.11660	9.4
125.09621	13.3
127.03925	3.2
128.06195	5.7
129.06979	23.2
130.07808	2.1
131.04912	2.3
131.08568	33.9
131.44824	2.1
133.06500	4.1
133.10120	24.2
135.08040	5.3
135.11684	15.0
137.09599	4.6
137.13283	2.1
139.11116	1.9
141.07008	9.7
142.07776	4.8
143.08539	20.4
145.10103	32.5
147.08037	4.8
147.11685	17.9
149.09587	6.5
149.13269	3.2
151.11195	2.2
153.07031	2.2
154.07755	2.9
155.08545	18.0
156.09283	2.1
157.06493	1.7
157.10114	23.4
159.11681	20.1
161.09557	2.0
161.13222	8.8
163.11227	2.8
163.14845	3.3
165.07033	2.2
165.09200	2.4
166.07677	2.2
167.08525	7.2
168.09367	2.1
169.10078	18.0
171.08145	2.0
171.11673	22.3
173.04454	2.4
173.09517	1.6
173.13219	12.1
175.11150	3.5
175.14828	5.0
177.12683	3.4
179.08531	2.4
181.10164	9.0
182.10925	3.4
183.11678	17.3
185.13255	14.8
187.11229	2.4
187.14780	4.4
189.11206	5.6
189.16479	2.0
193.10120	6.2
195.11685	10.6
197.13194	13.0
199.14775	8.3
201.16371	2.5
207.11710	4.3
209.13205	11.1
211.14784	7.0
213.12718	2.0
213.16444	3.1
215.17960	3.1
219.11702	1.8
221.13286	2.5
223.14799	6.7
225.12811	2.4
225.16411	3.7
227.12581	9.2
227.17986	3.8
229.14246	4.7
235.14862	2.5
237.16243	2.6
239.14278	2.1
239.17955	4.8
241.19682	3.5
243.16010	2.8
247.14867	2.7
251.17966	4.0
257.18945	4.3
259.20605	6.7
261.16528	2.1
265.19424	2.0
273.18494	3.0
275.20038	16.2
281.18713	2.2
285.22040	2.9
291.19528	4.9
301.21603	1.9
309.21811	2.2
333.24191	6.6
335.25775	4.1
349.23669	8.3
353.24734	2.3
365.23404	1.9
365.28381	5.0
381.31616	4.1
383.29666	2.6
421.31033	4.2
439.32623	2.2
495.34189	4.0
513.28131	3.0
513.35663	33.1
513.43146	3.7
515.38531	7.4
527.37201	3.6
533.39850	7.3
538.36426	1.8
551.40527	3.9
555.36340	1.9
607.43390	48.1
625.44556	100.0
626.44818	3.1
733.46527	4.1
751.47833	2.8
769.48859	6.0
787.46954	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	787.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.5
55.05498	1.1
57.03426	0.3
57.07080	0.3
59.04997	0.5
61.02921	0.4
65.03925	0.4
67.05497	2.0
69.03431	0.4
69.07055	0.7
71.04991	0.4
71.59606	0.3
73.02908	0.8
73.06548	1.6
77.03934	0.9
79.05487	8.7
81.03425	0.5
81.07053	2.1
83.08609	0.8
85.02909	0.5
87.03917	0.3
87.04462	9.7
89.06025	57.4
91.05474	12.8
91.07611	0.4
93.07042	3.3
95.04970	3.4
95.08602	0.8
97.02913	0.3
97.06498	0.6
97.10155	0.5
103.05458	7.6
105.07023	100.0
106.07356	0.7
107.04955	2.9
107.07070	2.5
107.08585	1.2
109.06539	0.4
109.10154	0.7
113.05983	0.3
115.05439	0.6
115.07547	0.4
116.06225	0.8
117.07008	2.8
117.09128	1.5
119.04935	1.3
119.08574	6.6
121.06499	16.8
121.10091	0.5
123.08088	0.3
123.11678	0.5
125.09618	0.7
128.06184	1.8
129.06042	0.2
129.06993	4.5
130.08620	1.2
131.04884	0.3
131.07071	2.8
131.08556	10.5
132.05684	1.0
133.06470	0.9
133.08594	34.6
133.10008	1.7
135.08060	1.0
135.10141	0.3
135.11716	0.4
143.08545	0.7
144.05858	0.2
145.06436	1.2
145.10109	1.1
147.08035	38.5
147.11726	0.6
148.08336	0.5
149.09610	8.3
149.13177	0.3
155.08546	0.7
157.10138	0.9
159.08055	0.3
159.11652	0.6
161.11601	0.3
161.13142	0.4
163.07472	0.5
163.11150	0.6
165.07050	0.4
165.09114	1.6
166.07762	0.6
167.08528	0.4
169.10117	0.9
171.11678	1.0
173.09589	1.0
173.13339	0.4
175.09650	1.5
175.11188	0.6
177.11220	8.2
178.07732	0.5
179.08578	0.7
181.10130	1.9
183.11667	0.4
185.13261	0.6
191.10641	0.5
192.09348	0.4
193.10504	0.3
193.12248	0.6
194.07175	0.2
195.11725	0.5
197.13293	0.5
207.11674	0.5
208.08839	0.6
209.11552	0.5
209.13300	0.5
221.09589	0.3
221.13776	1.0
222.10280	0.4
223.11130	2.4
225.12724	19.5
226.12987	0.6
227.12820	0.5
235.14911	0.4
239.14644	0.3
249.12703	3.3
251.14313	2.8
253.14108	0.3
257.19165	0.2
259.20599	0.3
267.13678	0.6
269.15359	2.7
271.15268	0.4
275.20023	0.7
295.16980	0.4
300.55435	0.3
311.16470	0.4
313.17960	0.9
315.18134	0.3
327.17294	0.5
333.24197	0.3
373.21570	3.4
396.44168	0.2
513.35559	0.7
607.43591	1.2
625.44537	4.4
787.60028	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.3
55.05507	0.4
59.04997	0.6
63.02373	0.3
65.03931	0.3
67.05495	1.4
68.05817	0.3
69.03418	0.5
69.07047	0.3
71.04967	0.3
72.08141	0.5
73.02913	0.9
73.06538	2.2
77.03926	0.7
79.05051	0.5
79.05486	7.1
81.03419	0.5
81.07047	0.9
87.04457	9.0
89.06021	57.2
91.05468	12.6
91.07592	0.3
93.07033	2.7
95.04949	3.9
95.08594	0.7
96.05308	0.3
97.90373	0.3
102.28423	0.3
103.05457	8.1
103.06134	0.6
105.07018	100.0
106.07375	0.8
107.04958	2.8
107.07052	2.3
107.08556	0.4
109.06524	0.6
109.10155	0.3
115.05428	0.7
115.07575	0.4
116.06231	0.7
117.06993	2.4
117.09106	1.4
119.04929	1.7
119.08565	5.1
121.06490	18.1
128.06227	1.1
129.06989	4.1
130.08646	1.2
131.07062	2.8
131.08549	9.6
132.05676	0.8
132.08859	0.3
133.06473	0.9
133.08588	33.3
133.10194	1.0
135.08037	0.8
135.11708	0.3
136.62331	0.2
145.06468	1.2
145.10066	0.5
147.08026	43.4
149.09602	8.7
150.09897	0.3
151.09711	0.4
153.06973	0.3
155.08566	0.4
157.10080	0.4
161.11797	0.3
163.07466	0.3
163.11189	0.6
165.06964	0.4
165.09119	0.9
166.07751	0.5
167.08598	0.4
173.09598	1.1
175.09676	1.5
175.11125	0.4
177.11203	8.3
178.07761	0.4
179.08505	0.9
179.82910	0.2
181.10083	2.1
191.10640	0.7
192.09248	0.5
193.12170	0.7
207.11653	0.5
208.08817	0.7
209.09637	0.3
209.11539	0.4
221.13773	0.9
222.10440	0.5
223.11134	3.1
224.11349	0.3
225.12709	21.4
227.12799	0.5
234.10521	0.4
235.13136	0.3
237.12691	0.5
249.12717	3.8
251.14354	2.5
267.13715	0.5
269.15317	3.1
271.15460	0.4
295.16974	0.5
310.12976	0.3
311.16357	0.6
313.17905	0.5
315.17902	0.3
327.17349	0.4
329.18893	0.4
349.23459	0.3
373.21594	2.9
436.49188	0.3
607.42700	0.5
625.43811	1.2
787.34796	0.4
787.59015	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.6
55.05507	5.7
57.03428	1.7
57.07064	0.7
60.47980	0.5
61.02915	1.4
65.03937	0.7
67.05502	10.4
69.03424	2.9
69.07066	4.4
71.04956	1.3
71.59763	0.8
73.02902	0.9
76.25491	0.4
79.05482	8.3
79.98319	0.4
81.03408	5.2
81.07052	11.7
83.04977	1.5
83.08618	2.4
85.02883	2.3
91.03979	0.9
91.05470	9.3
93.07035	9.7
95.04968	2.2
95.08598	6.7
97.02885	2.6
97.06536	2.1
97.10173	1.2
99.04447	0.7
99.08110	0.6
105.07031	9.8
106.31443	0.4
107.04964	2.0
107.08585	5.9
109.02897	1.6
109.06531	1.7
109.10134	2.8
111.08062	0.8
117.07011	4.0
119.08575	6.8
121.06539	0.7
121.10126	3.6
123.08089	1.2
123.11701	1.0
127.03918	1.4
128.06229	0.6
129.07019	2.5
131.08548	4.8
133.06523	0.5
133.10114	5.8
135.08113	0.8
135.11696	2.0
137.09599	0.7
141.07025	1.1
143.08578	2.4
145.10106	4.2
147.08102	1.3
147.11671	3.0
149.09628	1.0
149.13275	1.4
155.08559	1.9
157.10101	2.5
159.11690	3.5
161.13272	1.5
163.11230	1.0
163.14862	0.5
165.12714	0.8
167.08534	0.8
169.10152	1.8
171.11665	2.4
173.04486	1.8
173.09659	0.9
173.11931	0.4
173.13155	2.2
175.11227	0.7
175.14827	0.6
177.09103	0.5
181.10156	1.2
183.11736	1.7
185.13289	1.9
187.11285	0.6
187.14879	0.9
191.45712	0.5
193.10228	0.8
195.11726	1.3
197.13243	1.1
199.14896	0.9
201.16420	0.4
207.11826	0.8
209.13292	0.6
211.14934	0.7
213.16402	0.7
215.14232	0.5
215.21428	0.4
221.13412	0.6
223.15045	0.6
239.18059	0.6
241.19627	1.1
243.21190	0.5
257.19092	0.6
259.20651	1.6
267.15912	0.8
269.17551	1.2
273.18573	0.8
275.20099	2.8
286.09558	0.4
291.19537	1.0
301.64294	0.5
313.27737	0.5
333.24396	1.2
335.25919	1.0
349.23889	1.4
369.28436	0.5
385.23981	0.6
413.21671	0.8
513.35718	1.5
515.37817	0.8
527.37512	2.6
533.40375	0.6
607.43481	4.8
625.44470	6.0
635.38940	0.6
689.42621	1.6
733.46515	0.6
755.78717	0.5
769.48883	1.4
787.45984	100.0
788.46155	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
55.05484	0.3
56.83246	0.2
57.03428	1.7
61.02896	0.8
68.99754	0.6
69.03423	4.5
70.06553	0.8
70.85352	0.6
71.04990	5.5
73.02917	1.1
74.99937	0.2
75.04460	0.4
81.02988	0.3
81.03409	5.1
83.01326	0.2
83.04947	0.6
84.08099	0.3
85.02898	12.8
86.09637	0.2
87.00313	0.2
87.00815	3.2
87.04436	0.3
91.03922	0.4
91.05468	0.3
95.04954	0.2
97.02879	3.1
99.04453	1.4
103.03932	0.3
105.01278	0.2
105.01868	2.0
107.01289	0.5
107.04945	1.0
109.02874	4.5
111.04406	0.9
116.05000	0.2
117.01797	0.6
120.08056	0.3
121.02856	4.3
124.07623	0.3
127.03899	6.8
129.01779	0.6
129.05461	1.4
135.04384	0.2
137.05920	0.5
138.09084	0.3
144.04422	0.5
145.04944	2.1
145.06078	0.3
145.06265	0.2
147.02901	0.4
147.04369	0.4
147.06441	0.3
152.07065	0.2
157.06528	0.2
159.02905	2.6
160.65028	0.2
165.01801	0.7
172.03902	2.7
173.04253	1.0
173.05943	1.8
183.02850	0.6
189.03922	0.4
190.04909	0.2
197.05945	0.5
199.09891	0.4
200.10429	0.2
201.05453	0.7
203.03366	0.2
204.06544	4.8
205.06885	1.8
206.07178	0.4
206.35223	0.2
212.10666	0.8
213.11195	0.4
225.05374	0.3
226.12286	0.2
229.04932	3.7
231.04953	1.3
243.06563	0.5
257.10574	0.9
258.10745	0.7
271.05936	0.5
272.12787	12.4
273.13104	8.9
274.13358	2.1
299.05466	50.1
300.05914	0.8
311.05502	0.5
325.06702	0.3
337.07089	0.4
341.06467	1.2
357.14493	0.4
358.14789	0.4
393.09628	100.0
394.10046	2.5
405.09552	0.2
428.18793	0.4
429.19281	0.3
435.10721	1.6
459.11053	0.5
503.13263	0.7
521.14386	0.3
539.15302	0.8
641.14661	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.5928
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71891	0.5
55.01872	0.6
55.05505	2.3
56.05027	2.3
57.03424	1.3
57.07066	1.8
58.06598	6.6
59.05006	1.0
60.04515	0.5
61.02930	0.8
65.03923	0.6
67.05498	5.7
68.05014	0.6
69.03429	2.0
69.07063	2.5
70.06583	4.0
70.33941	2.3
70.66399	0.4
71.04990	1.3
71.08625	1.4
72.08149	21.9
73.02904	1.4
73.06522	0.5
79.05488	3.5
80.05824	0.5
81.03418	2.4
81.07054	5.5
82.07382	0.5
82.77443	0.6
83.04977	0.9
83.08603	0.9
84.08162	1.3
85.02927	1.4
86.06084	2.1
86.09688	1.3
86.44807	0.5
87.04473	2.6
88.07636	3.8
89.06021	10.3
91.05476	4.6
92.01015	0.5
93.07031	4.2
95.04968	1.6
95.08585	3.1
96.08149	0.7
97.02891	1.2
97.06536	1.5
97.10166	1.0
100.07613	4.3
102.09161	0.7
104.07088	0.4
105.07035	4.1
107.04974	1.1
107.08575	2.7
109.06538	1.0
109.10173	1.5
112.07543	2.7
112.12962	0.6
114.09184	1.1
116.10728	1.0
117.07033	2.3
119.08590	2.8
121.06483	0.8
121.10146	1.4
123.11641	0.7
126.26277	0.5
127.60553	0.5
129.07002	1.2
130.08647	0.9
131.08586	2.6
132.10234	1.2
133.08615	1.7
133.10155	2.3
135.11739	0.6
136.12045	0.6
143.08571	1.0
145.10155	1.3
147.11757	1.0
148.78719	0.5
149.13225	0.7
154.11449	0.5
155.08604	1.0
157.10181	0.9
159.11716	1.2
161.09648	0.6
169.10182	1.1
173.04567	0.6
173.13280	0.9
174.14125	0.5
176.12897	1.8
184.07423	0.6
185.13263	0.9
197.13419	0.6
220.15512	2.4
238.27805	0.5
257.18930	0.5
264.18015	2.9
266.21555	0.5
266.28421	0.7
268.30136	1.0
275.20166	0.8
276.20435	0.5
282.31528	12.5
292.30011	0.6
298.31122	1.4
310.31180	1.4
335.25995	0.5
342.33716	0.7
342.55276	0.6
349.23972	0.8
352.23523	1.7
386.36224	1.5
396.26086	1.0
426.38824	0.6
430.38708	3.7
474.41434	4.1
562.46649	3.4
606.49603	2.0
622.88995	0.8
624.43140	1.1
625.44299	0.8
650.52057	0.8
768.58264	0.7
786.59302	100.0
787.59564	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.5928
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71891	0.5
55.01872	0.6
55.05505	2.3
56.05027	2.3
57.03424	1.3
57.07066	1.8
58.06598	6.6
59.05006	1.0
60.04515	0.5
61.02930	0.8
65.03923	0.6
67.05498	5.7
68.05014	0.6
69.03429	2.0
69.07063	2.5
70.06583	4.0
70.33941	2.3
70.66399	0.4
71.04990	1.3
71.08625	1.4
72.08149	21.9
73.02904	1.4
73.06522	0.5
79.05488	3.5
80.05824	0.5
81.03418	2.4
81.07054	5.5
82.07382	0.5
82.77443	0.6
83.04977	0.9
83.08603	0.9
84.08162	1.3
85.02927	1.4
86.06084	2.1
86.09688	1.3
86.44807	0.5
87.04473	2.6
88.07636	3.8
89.06021	10.3
91.05476	4.6
92.01015	0.5
93.07031	4.2
95.04968	1.6
95.08585	3.1
96.08149	0.7
97.02891	1.2
97.06536	1.5
97.10166	1.0
100.07613	4.3
102.09161	0.7
104.07088	0.4
105.07035	4.1
107.04974	1.1
107.08575	2.7
109.06538	1.0
109.10173	1.5
112.07543	2.7
112.12962	0.6
114.09184	1.1
116.10728	1.0
117.07033	2.3
119.08590	2.8
121.06483	0.8
121.10146	1.4
123.11641	0.7
126.26277	0.5
127.60553	0.5
129.07002	1.2
130.08647	0.9
131.08586	2.6
132.10234	1.2
133.08615	1.7
133.10155	2.3
135.11739	0.6
136.12045	0.6
143.08571	1.0
145.10155	1.3
147.11757	1.0
148.78719	0.5
149.13225	0.7
154.11449	0.5
155.08604	1.0
157.10181	0.9
159.11716	1.2
161.09648	0.6
169.10182	1.1
173.04567	0.6
173.13280	0.9
174.14125	0.5
176.12897	1.8
184.07423	0.6
185.13263	0.9
197.13419	0.6
220.15512	2.4
238.27805	0.5
257.18930	0.5
264.18015	2.9
266.21555	0.5
266.28421	0.7
268.30136	1.0
275.20166	0.8
276.20435	0.5
282.31528	12.5
292.30011	0.6
298.31122	1.4
310.31180	1.4
335.25995	0.5
342.33716	0.7
342.55276	0.6
349.23972	0.8
352.23523	1.7
386.36224	1.5
396.26086	1.0
426.38824	0.6
430.38708	3.7
474.41434	4.1
562.46649	3.4
606.49603	2.0
622.88995	0.8
624.43140	1.1
625.44299	0.8
650.52057	0.8
768.58264	0.7
786.59302	100.0
787.59564	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.2
55.05512	24.5
55.37051	1.6
56.05027	5.6
56.96577	2.5
57.03436	14.1
57.07074	3.1
58.00384	1.6
58.06612	2.8
59.04997	1.7
60.04526	2.8
61.02919	20.7
62.06086	47.8
63.33892	1.6
65.03937	3.3
67.05502	66.6
68.05043	2.9
68.05812	1.8
69.03421	12.0
69.07061	23.7
70.06588	15.4
71.04997	8.2
72.04513	21.2
72.08153	3.0
73.02908	8.9
74.06080	4.3
76.72321	1.5
79.05489	57.1
80.05009	4.9
81.03411	45.0
81.06567	3.6
81.07050	63.0
82.06579	4.8
83.04961	6.1
83.08615	16.6
84.04491	2.4
84.08159	4.4
85.02897	16.9
86.06043	2.7
86.09680	1.9
87.04469	2.1
88.07624	6.7
91.03476	1.6
91.03933	7.9
91.05473	39.9
93.07041	58.7
93.07626	3.4
94.06561	3.6
95.04964	20.7
95.08600	47.6
96.04480	2.7
97.02869	15.4
97.06499	7.7
97.10165	4.3
98.06042	16.2
99.04475	2.8
100.07613	6.8
103.03899	2.4
105.07021	33.4
107.04305	1.9
107.04917	7.7
107.08584	28.6
108.08105	2.0
109.02931	1.6
109.06545	8.0
109.10159	18.5
110.06033	1.9
111.08076	5.6
112.07610	4.5
114.05528	2.5
114.09169	2.0
115.05444	2.4
116.06351	2.3
116.07062	10.7
117.07005	7.4
119.08585	22.2
121.06493	4.8
121.10137	22.3
123.08067	4.8
123.11732	5.5
124.07578	8.0
125.09658	5.4
126.09062	1.8
127.03941	3.8
129.07043	8.1
131.08566	21.5
133.06538	2.8
133.10092	12.7
135.08038	3.1
135.11674	12.2
137.09616	4.3
143.08575	2.4
145.06497	1.8
145.10100	7.9
147.08093	2.5
147.11711	10.3
149.09637	8.1
149.13269	5.7
151.11185	3.0
157.10149	5.4
159.11679	7.0
161.13263	4.6
163.14793	4.0
171.11786	2.1
173.13297	3.8
175.11180	6.3
177.12801	2.1
182.15440	7.0
184.07336	4.1
184.13371	1.9
185.13263	2.2
187.11189	1.7
187.14874	2.1
189.11343	2.2
192.13860	6.1
193.12247	17.7
195.11734	2.8
197.13287	2.3
208.17047	2.6
210.14883	79.0
211.13251	2.8
211.15056	1.8
212.16518	2.0
224.11378	3.3
226.18022	7.7
227.12656	2.5
228.15927	37.1
229.07481	2.2
236.16470	6.9
243.21092	3.6
246.17038	2.8
253.14247	2.1
254.17502	24.8
261.22168	16.7
267.15878	74.4
268.16177	2.2
272.18558	4.0
275.20108	6.2
279.15756	3.0
284.18555	5.7
291.19632	4.8
302.19550	16.9
317.24683	2.4
320.20605	5.0
328.21094	3.3
329.15808	1.9
335.25772	73.3
336.26031	2.4
346.22293	3.8
349.23135	1.9
365.23358	1.7
367.18051	2.4
402.18759	1.9
421.25562	1.9
453.33514	3.2
461.16827	2.2
527.09821	2.2
527.37244	28.2
545.38379	12.2
557.34772	3.6
560.80475	1.8
562.40973	28.5
563.40863	2.6
580.42065	47.3
581.41791	2.0
588.42725	2.1
606.43573	100.0
607.44055	8.6
624.34625	3.2
624.43768	3.7
724.46503	3.7
742.47437	10.7
750.48053	2.2
768.48792	64.7
769.48438	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	786.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01832	0.6
55.05503	3.0
56.04996	0.5
57.03430	3.8
59.15969	0.2
60.04470	0.3
61.01103	0.4
61.02881	0.9
68.05000	0.3
69.03420	2.5
70.03226	1.2
70.06586	5.7
71.01331	0.6
71.04984	18.2
71.05351	0.6
72.08125	0.5
73.02901	1.1
75.04427	1.0
79.05456	0.4
81.03369	1.1
81.07018	0.7
82.06569	13.0
83.04938	1.0
84.04467	0.5
84.08109	0.5
85.02895	22.1
86.03231	0.3
86.06034	0.3
86.09647	0.9
87.04456	1.4
87.04868	0.2
89.03901	0.3
91.03944	0.3
91.05435	0.4
95.04899	1.1
95.06075	0.4
97.02894	1.6
98.06041	0.2
99.04404	0.7
100.07598	0.6
104.05220	0.3
107.04942	8.7
108.05225	0.4
109.02828	0.9
111.04375	0.9
113.05953	0.3
114.53809	0.2
119.30453	0.2
121.02827	0.3
121.06464	1.5
123.04422	0.4
127.03838	0.9
128.07063	30.0
129.05469	3.9
131.04865	0.3
135.04350	0.7
136.06100	0.9
137.02325	9.6
137.03365	0.6
137.05910	0.7
145.02797	1.1
145.04945	0.4
145.06392	0.3
147.04379	0.4
149.06035	0.3
155.04797	0.3
159.08350	0.7
161.05952	0.5
163.03880	4.5
170.22238	0.2
173.05832	0.3
175.07433	0.3
177.05487	1.8
177.62897	0.2
189.05362	0.6
191.03287	0.5
195.02852	0.4
199.03761	0.4
199.07381	0.3
201.05469	0.3
203.07051	0.4
205.04782	0.3
207.06401	0.4
216.10210	0.4
217.04964	4.7
219.08070	0.6
229.04887	0.3
235.05853	1.2
237.09055	0.8
239.07054	0.3
247.07581	0.5
251.06995	0.3
253.08710	0.3
265.08582	1.5
275.06992	0.3
279.06512	0.4
281.07867	0.4
283.09567	0.7
293.08023	1.6
294.08704	0.4
299.05563	0.5
309.07617	0.3
311.05460	1.0
311.09039	1.5
315.04910	3.3
321.07724	1.6
324.06406	0.4
325.06815	1.4
327.01035	0.5
327.05005	10.8
327.08591	1.4
328.05264	0.4
329.06488	1.6
336.08630	0.4
337.06970	3.2
339.05014	0.5
339.08664	2.1
341.06467	3.1
343.08136	0.8
348.07797	0.4
349.06998	5.2
350.07471	0.3
352.05811	0.8
353.06500	0.3
354.09671	12.7
355.08066	21.6
356.08383	0.5
359.19846	1.6
366.09720	4.8
367.08078	64.0
368.08652	1.5
372.10721	8.7
382.09326	0.5
384.10733	3.6
409.09299	1.1
421.09128	0.6
433.09494	0.3
435.10699	0.8
443.11310	0.5
449.12073	1.7
451.10153	0.6
459.10507	0.3
460.13849	2.9
461.12253	16.4
462.12790	0.5
462.21259	4.6
478.14914	100.0
479.15311	2.5
516.14795	0.5
519.12811	0.6
534.15796	0.5
537.13782	0.5
570.17474	0.4
588.18500	0.6
624.26715	12.7
640.20227	11.9
640.31079	0.5
641.20636	0.4
662.21204	0.4
786.25732	6.8
786.39514	0.3
787.27063	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	9.0
55.05507	35.4
57.03441	9.4
57.07069	3.3
59.04992	3.4
61.02914	6.2
65.03930	3.3
67.05500	54.6
67.06464	1.6
69.03426	15.4
69.07063	19.1
71.04982	7.2
71.59522	2.1
73.02908	6.9
73.96045	1.7
79.05486	49.2
81.03407	19.6
81.07047	46.3
83.04985	6.1
83.08609	12.5
85.02912	9.9
85.06531	3.7
87.04465	16.6
88.34254	1.6
89.06027	26.6
90.89226	1.6
91.03953	3.4
91.05477	43.5
93.07043	32.5
95.04961	14.4
95.08596	32.3
97.02896	10.2
97.06522	8.4
97.10172	19.9
99.04453	4.2
101.02376	1.8
103.05428	4.7
105.07023	100.0
106.07363	4.2
107.04919	9.0
107.07075	2.0
107.08585	26.3
109.02839	3.8
109.06496	6.2
109.10136	14.1
111.04411	3.2
111.08096	4.0
113.05988	1.6
115.05479	3.8
117.07022	19.6
119.04911	1.8
119.08560	28.4
121.06483	10.0
121.10142	11.9
123.08058	5.3
123.11663	4.7
125.09615	17.9
127.03894	5.8
128.06195	5.9
129.07005	19.6
130.07765	3.5
131.07031	3.1
131.08566	22.6
133.06497	3.4
133.08603	14.8
133.10103	17.6
133.83786	1.7
135.08063	9.0
135.11670	6.8
137.09602	3.5
139.39229	1.8
141.07019	7.0
142.07756	4.8
143.08549	16.6
145.06433	4.3
145.10133	17.8
147.08064	8.8
147.11676	8.4
149.09602	7.9
149.13216	2.9
153.06985	2.7
153.09138	1.8
153.12691	1.7
154.07784	2.8
155.08548	10.3
157.06506	2.3
157.10126	16.5
159.08057	2.5
159.11658	12.6
160.21306	1.8
161.09636	2.9
161.13303	3.8
163.11205	4.5
165.06972	2.4
165.09149	2.2
167.08521	6.5
168.09328	3.1
169.10123	14.0
171.08061	3.7
171.10368	1.8
171.11664	9.2
173.04437	4.6
173.09648	4.7
173.13260	7.2
175.11174	3.8
175.14847	2.5
177.11244	5.2
177.12712	2.5
179.08615	4.0
181.10077	9.8
183.06529	2.6
183.08023	2.9
183.11641	10.8
185.09578	4.1
185.13264	8.2
187.11177	2.1
187.14818	4.0
189.11224	10.4
191.14328	2.1
193.10136	5.3
195.11679	9.2
197.09744	1.8
197.13216	8.5
199.11185	4.1
199.14825	4.8
201.12788	2.6
205.12236	2.1
207.11725	4.4
209.13255	8.0
211.11127	3.8
211.14835	5.3
213.12700	3.3
219.11711	2.0
221.13458	5.5
223.14908	3.9
225.12759	7.9
225.16243	4.1
227.12625	9.0
227.17914	3.5
233.13344	2.9
235.14806	3.5
237.16441	2.6
239.14462	2.6
239.17995	3.8
245.13661	2.3
251.14302	2.3
251.18028	2.9
257.19031	4.1
259.20535	3.3
273.18439	3.9
275.20099	13.7
277.19489	2.5
283.20636	2.8
291.19592	8.1
295.20697	3.1
327.23453	2.4
333.24399	2.7
349.23987	3.3
351.22678	2.0
367.22455	2.8
377.28653	2.7
379.29919	3.6
513.36414	3.3
531.38123	7.0
549.39020	4.8
605.41992	17.7
623.42963	68.7
641.44281	2.4
665.44977	2.3
731.45062	2.6
749.45319	2.4
767.46393	6.0
785.48370	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	785.394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.8
55.05507	12.5
57.03436	6.8
59.05004	1.0
60.44451	0.6
60.72181	0.6
61.02922	26.3
65.03932	1.6
67.05500	24.4
69.03420	7.4
69.07060	10.2
69.84804	2.2
69.85233	1.8
70.06596	1.5
71.04975	3.2
72.08144	0.8
73.02914	8.2
77.03902	0.6
79.05489	23.4
81.03416	6.2
81.07053	25.1
83.04969	3.0
83.08601	9.0
84.08098	0.8
85.02898	29.8
85.06530	1.8
86.09702	1.1
91.03950	15.7
91.05474	29.4
93.07034	21.1
94.06495	0.7
95.04955	6.6
95.08602	14.5
97.02885	18.2
97.06509	4.9
97.10152	2.9
98.21442	1.3
99.04424	1.8
99.08076	1.0
101.02355	0.7
103.05458	2.6
105.07024	24.7
107.04944	5.1
107.08586	9.9
109.02880	1.7
109.06513	5.0
109.10152	7.1
111.08088	2.8
115.03908	1.3
115.05450	2.7
116.06255	1.4
117.07007	20.1
119.04916	1.1
119.08567	13.5
121.06468	4.8
121.10124	6.5
121.63788	0.7
123.08080	3.1
123.11707	0.8
125.09644	1.4
127.03905	6.9
128.06219	5.8
129.06989	24.0
130.07893	0.7
131.04999	0.7
131.08554	25.7
133.06461	4.0
133.10126	9.7
135.08028	3.2
135.11697	3.4
137.09601	1.9
139.03854	0.7
139.11151	0.9
141.06964	11.1
142.07750	3.0
143.08557	19.0
145.05014	4.6
145.06456	5.9
145.10118	13.0
147.08022	5.8
147.11642	4.0
149.09613	3.4
150.09132	0.9
151.11183	1.3
153.06993	2.4
154.07819	2.0
155.08554	17.1
156.09349	0.7
157.06477	2.0
157.10094	11.4
159.08066	4.0
159.11681	7.3
161.09653	3.1
161.13255	1.3
163.06023	3.3
163.11172	2.6
165.07018	2.0
166.08766	3.2
167.08549	8.6
168.09383	1.1
169.06461	0.9
169.10101	11.2
171.08081	2.7
171.11671	7.2
173.05980	0.9
173.09615	2.9
173.11877	0.6
173.13246	3.2
175.07727	0.6
175.11198	2.4
177.12770	2.5
179.08508	4.4
180.09364	0.9
181.10103	8.9
182.10794	1.1
183.08099	1.7
183.11678	6.6
185.09621	1.7
185.13231	6.2
187.11205	2.3
187.14787	1.7
189.12750	0.9
191.08594	1.1
191.14272	1.0
193.10136	4.9
193.11754	0.9
194.10922	0.7
195.11664	8.9
197.09602	2.4
197.13161	6.1
199.11130	2.6
199.14798	2.4
201.12727	2.1
201.16344	0.9
203.14359	1.4
205.10165	1.7
205.12198	0.8
207.11618	3.9
209.09666	0.9
209.13220	5.2
211.11267	1.6
211.14819	4.2
213.12726	3.0
213.16338	1.6
215.14395	4.1
217.10048	0.7
219.11676	2.6
219.13759	1.1
221.13284	7.2
223.14792	5.7
223.26289	0.7
225.12772	2.7
225.16504	1.2
227.14366	1.7
229.16138	0.9
231.13823	0.8
231.17360	1.1
233.13281	1.7
235.14804	3.9
237.12767	1.1
237.16478	1.5
239.14264	3.9
239.18007	1.1
241.15964	2.0
243.17596	0.7
247.14830	1.0
249.16463	1.8
251.14377	1.3
253.15887	3.2
255.13834	1.0
257.15350	2.3
259.17001	2.2
267.17566	1.5
269.15393	0.9
271.16949	3.0
272.12897	1.6
275.16483	0.8
285.18600	1.4
289.18149	0.7
303.19571	1.4
305.22607	1.3
315.21112	1.4
323.20090	1.5
323.23480	5.8
333.22156	11.9
341.24878	5.4
351.23141	31.6
369.24194	22.9
387.25244	13.2
405.26538	0.8
415.28503	1.1
425.26816	8.5
433.29443	1.4
443.27908	100.0
444.28360	2.2
461.28958	66.0
462.29218	1.6
473.29099	1.5
485.28918	2.1
503.29813	1.2
551.29907	1.6
569.30823	1.6
578.71838	0.8
587.32068	2.2
605.33185	2.3
623.34015	3.0
634.21442	0.6
785.39954	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.3
55.05500	0.4
56.05032	0.5
60.37386	0.3
61.02914	0.8
64.90049	0.4
65.03941	0.6
67.05504	3.0
68.04999	0.5
69.03419	0.6
69.07057	0.8
70.06596	2.4
71.20851	1.0
72.08135	0.9
73.02909	0.5
79.05481	1.4
81.03404	1.1
81.07047	0.8
82.16173	0.3
83.08617	0.4
84.08144	3.0
85.02894	0.9
86.09695	1.2
89.03898	0.9
91.03944	0.5
91.05464	0.8
91.06885	0.3
93.07022	1.3
93.07576	0.4
94.06565	18.9
95.04973	2.7
96.03887	0.6
96.04491	9.6
96.08113	1.8
97.02885	0.9
98.06045	0.7
103.05354	0.4
105.07015	0.7
106.06564	0.8
107.04951	41.1
107.07322	1.2
108.05318	0.6
108.08117	6.8
109.10128	0.4
110.05978	0.4
110.07127	0.4
110.09664	1.0
112.07601	12.0
116.04977	2.8
119.08541	0.4
120.04478	0.4
120.08118	1.9
121.06520	0.5
121.10131	0.4
121.36617	0.4
122.06022	19.9
122.09653	3.7
123.04392	1.0
124.07577	0.5
129.10255	0.5
133.09209	0.4
133.10181	0.4
134.06021	2.9
136.07588	2.3
137.17551	0.4
138.09100	1.0
139.09496	0.5
140.07057	43.1
141.07295	0.4
144.04439	5.9
145.05028	0.4
146.06003	0.9
148.07545	1.3
150.09129	8.8
152.07065	20.6
153.07405	0.4
154.08650	1.4
158.08121	60.5
160.03906	0.5
162.05511	3.1
162.09138	0.5
163.07472	0.4
164.07037	0.9
166.08653	1.8
168.06525	1.0
172.03929	35.3
173.04292	0.4
174.05499	0.5
176.07224	0.4
182.08124	8.9
183.08080	0.4
190.04984	2.6
194.08080	4.9
200.10678	2.1
204.06552	57.7
205.06938	0.7
206.08070	0.5
215.11781	0.5
225.10173	0.7
226.10718	0.5
227.11880	0.5
228.10223	0.8
237.10213	0.8
238.10786	0.5
239.11801	1.6
241.09727	0.6
243.11244	2.3
251.08315	0.5
251.11765	0.4
252.08795	0.4
253.09760	0.4
253.13356	0.5
257.12881	0.7
260.12830	1.0
265.09631	1.0
266.10172	1.1
267.10757	1.2
272.12955	2.3
279.11212	0.9
281.12817	1.4
285.12445	2.5
286.10559	1.9
288.12292	100.0
289.12592	1.3
293.09134	0.9
294.09711	0.5
297.12222	0.8
298.12854	0.7
301.11963	0.5
302.12164	0.4
303.13416	5.6
309.12332	8.9
312.10419	0.5
313.11661	0.7
313.15195	0.6
325.11621	1.1
327.13400	5.0
335.10098	0.6
341.14954	19.1
342.15744	0.4
346.14545	0.4
353.11340	0.6
357.14508	0.6
371.12570	0.5
373.13654	1.2
389.13208	0.6
390.13913	0.6
391.14072	0.4
409.17566	6.3
427.18640	2.2
431.16019	0.7
451.22372	0.4
462.20328	0.8
466.19614	0.6
480.20901	0.5
490.19666	4.2
495.48080	0.4
510.22217	0.4
511.22565	0.7
512.22791	1.2
522.22345	4.8
537.20502	0.8
538.20789	1.2
555.21234	0.5
556.21979	0.5
568.24500	3.3
611.24469	0.5
785.42999	0.6
785.56067	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	0.2
70.11674	0.4
70.12089	0.1
79.05480	0.1
83.35985	0.1
89.03896	0.3
90.19452	0.1
93.07005	0.1
95.07319	0.2
96.08110	0.4
100.06811	0.1
103.84171	0.1
106.06525	0.2
107.04931	0.8
107.07372	0.1
108.08083	0.3
110.09671	0.4
116.04957	1.0
120.08086	0.5
122.06020	0.4
124.07561	0.4
132.08064	0.3
133.08876	0.3
134.06009	0.2
134.09688	0.1
136.07542	0.8
138.09100	0.7
144.04422	3.1
145.05244	0.1
146.05963	0.4
148.07585	0.3
150.09087	0.1
152.07047	0.4
160.07571	0.1
162.05496	1.5
166.08621	1.7
170.16792	0.1
172.03911	17.2
178.08566	0.1
190.04993	0.6
195.10307	0.1
196.11159	0.5
197.08261	0.5
198.09135	0.9
199.09900	2.8
200.10701	0.8
204.06531	28.3
205.06970	0.2
210.09122	0.1
210.57013	0.1
211.09889	0.6
211.11850	0.1
212.10678	5.1
213.11455	1.3
225.10158	0.2
226.12215	2.2
239.09398	0.3
239.11580	0.2
254.11725	2.7
257.10434	7.6
263.11700	0.3
265.13342	0.1
271.12106	0.6
272.12766	100.0
273.13153	1.1
279.11295	0.3
285.12277	0.1
291.11230	0.2
293.12659	0.2
297.12305	0.4
299.13858	0.2
309.12247	0.3
311.13821	0.1
315.13455	0.1
325.11774	0.9
329.14960	0.3
337.11798	0.8
339.13248	0.3
357.14389	6.2
367.16577	0.2
401.12872	0.1
427.18698	1.1
429.20139	0.6
464.21777	0.7
490.19656	0.7
508.20697	0.2
522.22369	0.8
523.69055	0.1
584.23254	0.3
596.23425	0.3
603.27844	0.2
611.24719	0.2
628.25891	0.2
629.25745	0.2
647.27026	0.9
679.29425	0.4
769.74695	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05457	1.0
68.05025	0.3
69.07029	0.4
69.40134	2.8
70.06597	2.8
72.08137	0.7
79.05478	1.8
80.04972	0.8
81.03384	1.2
81.07024	0.6
82.06544	0.6
84.04445	0.4
84.08115	0.7
85.02871	0.7
85.09032	0.3
86.09662	1.0
91.05473	1.6
93.05741	0.6
93.07043	3.3
94.06560	2.8
95.04926	1.0
95.07351	2.5
95.08569	0.4
95.70325	0.3
96.04483	0.4
96.08132	6.4
97.06482	1.3
98.21469	0.5
103.05431	0.7
106.06555	1.5
107.04950	8.6
108.07443	0.4
108.08109	5.2
109.08884	0.3
110.07176	0.4
110.09678	12.2
116.04937	0.4
118.06491	0.3
119.04928	0.5
120.04429	0.5
120.08097	8.1
121.02826	1.3
121.06477	0.7
122.06025	1.7
124.07589	3.0
129.10196	0.5
130.06494	0.5
134.05940	0.5
136.07558	5.1
137.05936	0.8
138.05461	0.4
138.09129	13.8
139.09425	0.3
144.04381	0.9
146.05977	0.8
147.04367	1.4
148.07550	4.6
150.09116	1.8
152.07054	3.8
160.07555	0.8
162.05499	0.6
164.07079	3.6
166.08632	22.3
167.08771	0.5
172.03926	5.0
176.06952	0.3
180.10207	0.4
182.08159	3.6
190.04971	2.5
194.09727	0.4
197.10722	0.5
198.09149	1.3
198.11464	0.9
198.66541	0.4
199.09950	3.5
199.11935	0.5
200.07042	0.4
200.10645	0.8
204.06541	6.5
204.08249	0.3
207.06686	0.6
210.09076	0.9
210.11496	0.4
211.09962	0.8
211.12291	1.2
212.10754	4.8
212.12842	0.5
213.11461	1.1
222.09148	2.7
223.09906	0.6
223.12248	1.0
224.10541	0.5
225.10222	1.4
225.13800	0.5
226.12460	2.2
227.11787	1.1
228.09900	0.4
232.07552	0.7
233.08488	0.4
235.08691	0.4
235.12173	0.5
237.10275	1.6
238.08607	1.6
238.10974	1.0
239.11732	3.8
241.13448	0.4
243.11125	0.5
248.09454	0.4
249.07932	0.6
249.10213	2.6
250.08653	8.6
250.10982	1.5
251.09303	0.5
251.11775	3.2
252.10170	0.9
252.12564	0.7
253.09615	0.4
253.13379	1.2
254.11763	3.0
255.11220	0.6
256.12070	0.8
257.10474	8.5
257.12735	0.4
261.10202	0.5
262.11118	0.7
263.11807	5.8
264.08777	0.7
264.12546	1.0
265.09756	1.2
265.13321	2.4
265.15829	0.4
266.08047	1.8
266.10526	0.6
267.11282	2.2
268.09601	0.6
269.12830	0.6
271.11676	0.4
272.12793	100.0
273.13181	1.8
275.11850	0.5
277.09821	1.6
278.08081	8.4
278.10449	0.6
279.08319	0.7
279.11176	4.8
280.11996	0.6
281.12866	2.5
282.11285	2.5
283.10825	0.9
284.11481	0.9
285.12369	2.7
287.13928	0.8
290.14050	0.3
291.11285	4.6
292.11987	1.5
293.12820	4.0
295.10699	1.3
295.13998	0.4
296.11612	1.0
297.12314	6.8
298.10629	3.5
299.13922	1.3
301.13409	0.6
303.14639	0.5
305.15164	0.4
307.10822	0.8
308.11359	0.4
309.12311	5.0
310.10696	20.1
311.13925	1.2
313.13156	0.9
314.13983	0.5
315.13855	0.6
316.12073	0.7
316.15411	0.5
319.10617	2.6
321.12466	0.8
323.10141	0.7
323.16074	0.8
324.11783	0.5
325.11774	5.6
327.11319	0.9
327.14862	0.5
328.11728	0.7
329.12839	2.7
330.13254	0.4
336.11005	0.6
337.11789	12.6
339.13547	2.5
340.15891	0.5
341.12793	4.2
342.13455	3.0
343.14304	2.1
344.14774	0.5
345.16046	0.6
350.92273	0.4
351.13428	0.4
354.13510	0.4
355.14529	6.3
356.15146	1.6
357.15063	1.8
358.12790	0.5
359.12924	0.5
363.16864	1.1
366.69525	0.4
369.11899	0.7
370.12952	2.1
371.13632	2.2
373.15314	0.8
375.17105	0.9
383.13666	2.2
385.15463	1.9
387.17218	0.7
388.13895	0.4
389.14911	2.3
390.18051	0.9
399.17023	1.2
400.13678	0.4
401.14835	5.4
402.15128	0.5
403.16455	2.9
405.18051	0.5
408.18997	0.4
413.14941	1.1
415.16431	4.8
416.16476	0.9
421.17737	0.4
425.14801	0.5
427.18552	1.4
429.14560	0.9
429.20129	0.5
430.15973	0.4
431.15918	8.1
443.15906	4.7
444.19180	0.5
445.17603	1.5
449.17264	0.6
450.20474	0.7
461.17081	1.7
462.20679	0.6
463.18576	8.9
464.21936	1.6
468.22415	0.4
472.18579	0.6
475.18677	1.1
477.20209	0.4
479.17886	1.7
490.19727	5.4
508.21027	1.0
522.22351	6.1
524.25092	0.4
528.25067	0.6
552.25043	0.9
554.22797	0.9
568.24518	0.6
570.26007	4.1
578.22266	0.4
584.24030	0.5
596.23883	18.5
611.25031	0.5
614.24567	0.5
627.25256	0.5
628.26477	43.8
629.26404	2.8
647.27191	3.2
661.27625	0.5
678.16290	0.4
679.29541	1.4
706.33295	0.4
717.28772	0.8
753.30957	0.5
756.45782	0.4
785.33881	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05516	0.2
67.94299	0.2
69.69012	0.7
69.69420	0.3
88.44413	0.1
89.03909	0.4
91.05451	0.2
94.06529	0.3
95.07338	0.2
96.08144	0.4
107.04943	1.2
108.08089	0.4
109.55785	0.2
110.09662	0.8
116.04975	1.2
118.06597	0.2
120.08140	0.8
122.06007	0.7
122.95631	0.2
124.07573	0.5
134.06093	0.2
136.07596	0.9
138.09103	1.2
143.76865	0.2
144.04424	3.0
146.05972	0.6
148.07538	0.4
150.09085	0.2
150.49687	0.2
152.07077	0.4
162.05476	1.3
164.07083	0.2
166.08650	2.2
172.03917	17.3
190.04938	0.7
194.37578	0.2
196.11182	0.5
197.08360	0.5
198.09090	1.1
199.09917	2.6
200.10677	0.4
204.06538	31.6
205.06937	0.3
210.09114	0.3
211.09918	0.6
211.12061	0.2
212.10669	4.6
213.11401	1.3
226.12254	2.0
239.09441	0.3
243.50777	0.2
244.09657	0.4
251.11772	0.3
254.11758	2.5
257.10443	7.3
263.11740	0.4
267.11426	0.2
271.12003	1.1
272.12778	100.0
273.13150	2.4
279.11288	0.4
281.12915	0.3
293.12830	0.4
295.11038	0.2
297.12216	0.8
299.13828	0.4
309.12369	0.5
315.13419	0.2
319.10757	0.2
325.11642	1.0
329.15210	0.2
337.11874	1.2
339.13428	0.4
343.13382	0.2
357.14420	4.4
375.58508	0.2
401.13669	0.2
427.18658	1.0
429.20291	0.2
443.15625	0.2
464.21692	0.7
490.19757	1.0
522.22253	0.7
538.37946	0.2
584.23596	0.8
647.26849	1.2
679.29474	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
55.05508	0.4
67.05495	0.5
69.60860	2.0
69.61283	0.9
70.02942	0.4
70.06572	2.2
72.08147	0.6
76.77398	0.3
79.05501	1.6
81.03400	0.5
86.09702	1.1
91.05466	0.6
94.06551	1.3
95.04955	2.4
105.04491	0.5
106.06529	1.2
107.04951	81.5
108.05267	0.7
108.08128	0.9
110.06039	0.6
110.09663	1.0
110.68991	0.5
116.04972	0.8
120.08097	2.3
122.06065	0.7
124.07565	0.6
131.51787	0.4
133.48325	0.4
134.06006	3.3
136.07549	1.7
138.09103	1.2
144.04436	1.5
146.06000	0.7
146.08421	0.5
148.07550	1.1
151.59984	0.4
152.07048	3.4
159.09143	0.6
160.07591	1.0
162.05515	1.4
166.05045	0.7
166.08615	1.7
170.09654	0.7
172.03947	8.5
174.09105	0.5
180.14452	0.4
186.09184	0.4
187.12294	1.8
187.42458	0.4
188.07101	2.0
190.04971	0.8
198.09109	1.6
199.08647	2.2
199.10265	0.5
200.09399	1.6
201.10196	1.6
202.08565	1.5
202.11066	0.5
204.06558	11.8
212.10672	0.6
213.10257	0.9
214.11018	1.7
215.11760	8.5
224.10983	0.4
225.10214	1.3
231.11388	0.5
239.11787	0.9
240.10199	0.5
241.13448	1.0
243.11288	41.7
244.11790	0.8
245.09213	0.7
251.11876	0.6
257.12796	1.5
258.11179	1.3
259.10690	0.6
260.11652	0.9
267.11200	1.0
268.09653	0.6
272.12750	1.6
273.12299	1.0
274.13040	0.6
275.13898	1.2
279.11298	0.5
285.12311	6.4
287.10391	0.4
297.12442	0.7
303.13379	99.1
304.13669	2.4
325.11798	0.8
357.14450	1.5
409.17569	100.0
410.17953	3.3
413.14313	0.4
414.14539	0.7
427.13226	0.8
427.18655	10.9
432.15768	0.5
461.17276	0.5
462.16345	0.5
474.16553	0.9
506.40710	0.5
520.20337	0.5
584.45862	0.4
595.59003	0.5
626.24695	0.9
627.24469	3.1
659.26599	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
63.18922	0.3
67.05448	1.2
69.07010	0.4
69.32124	2.5
69.32537	0.7
70.06518	1.3
72.08160	0.3
79.05475	1.7
80.04948	0.7
81.03371	0.8
81.05737	0.8
81.06988	1.0
82.06502	1.0
85.02870	0.5
86.09666	0.4
90.56147	0.3
91.05467	2.2
91.48502	0.3
93.07037	4.4
94.06561	4.4
95.04903	1.4
95.07339	5.1
95.08564	0.4
96.08118	10.3
97.06464	0.9
103.05400	0.7
105.10461	0.3
106.06467	0.4
107.04948	6.7
108.08100	7.8
109.08857	0.5
110.06011	0.4
110.07039	0.3
110.09669	18.5
116.04887	0.3
118.06483	0.5
120.08086	9.8
121.02876	2.8
121.06446	0.7
122.05996	1.8
122.09632	0.5
123.06737	0.5
124.07560	2.5
126.97740	0.3
136.06656	0.3
136.07561	4.2
137.05963	25.8
137.62485	0.3
138.05409	0.4
138.09120	20.5
140.06975	0.4
146.16595	0.3
147.04414	0.4
148.07552	3.7
150.09070	0.5
152.06990	1.1
164.07002	1.0
166.08620	15.3
172.03899	0.7
177.91174	0.3
182.08051	0.6
191.43509	0.3
191.77893	0.3
204.06474	1.3
209.10759	0.3
211.12213	0.4
221.10741	0.4
223.12215	0.7
225.10251	0.5
227.11732	0.4
235.08540	1.0
235.12238	0.7
236.09314	0.7
237.10213	2.0
237.13780	0.7
238.10921	1.7
239.11731	1.4
247.08427	0.3
248.09343	0.9
249.10194	4.3
250.10965	3.6
251.11737	6.2
252.12630	0.6
253.09747	0.4
253.13300	0.5
261.10196	1.5
262.10907	1.6
263.11765	7.9
264.12445	0.7
265.09677	1.9
265.13318	1.4
266.10339	0.4
267.11258	0.8
267.15756	0.6
268.16205	0.4
275.08286	0.6
275.11807	1.4
277.09677	1.7
277.13232	0.3
278.11411	0.6
279.11261	6.6
280.12033	0.5
281.09491	0.5
281.12781	1.9
282.10114	0.7
283.10788	1.5
289.09601	2.6
290.10318	0.7
291.11224	6.4
292.11905	1.0
293.09506	0.7
293.12775	2.0
295.10715	3.6
297.12350	2.0
300.12512	0.9
303.11124	0.5
305.08920	0.4
307.10706	4.7
309.12244	4.3
310.10995	0.5
311.11469	0.9
312.09091	0.4
312.12601	1.1
313.13315	2.0
314.14056	1.2
315.14737	1.4
317.09183	0.5
319.10593	1.8
320.22525	0.4
321.12296	1.1
322.10770	0.3
323.10312	0.8
325.09039	0.4
325.13370	3.0
326.10519	0.6
326.14157	1.8
327.11191	3.4
327.14868	2.2
328.11935	3.4
329.12750	2.1
329.16241	0.6
335.10138	2.3
336.10971	0.9
337.11856	3.1
338.10522	0.8
339.11252	2.8
339.14752	0.7
340.11832	3.5
341.12784	11.1
341.16187	0.5
342.13486	5.6
343.14362	10.7
343.18417	0.7
344.14694	0.5
349.12231	0.6
351.11221	0.8
352.12064	2.5
353.12836	8.7
354.09717	0.5
354.13541	8.0
355.14392	19.0
356.11429	0.9
356.15219	1.6
357.11670	0.5
357.16003	2.4
359.13998	1.2
365.12677	0.5
366.09848	0.6
367.10239	0.7
367.14679	3.3
368.11023	1.8
368.15128	1.3
369.12259	4.8
369.15939	3.3
370.12799	2.2
371.13708	1.4
373.15494	0.7
377.12729	0.9
380.11392	0.9
381.12326	5.9
382.12717	2.4
383.13806	5.0
384.14154	0.6
385.11539	0.4
385.15543	3.9
386.12415	0.4
387.12860	0.7
387.17212	0.9
395.13876	4.5
397.15305	1.8
399.13278	7.8
400.14032	2.7
401.14911	10.5
402.15530	1.4
403.18002	1.2
411.13440	1.2
413.14914	29.3
414.15381	2.9
415.16476	5.0
416.16113	0.5
423.13522	1.4
428.13553	0.9
429.14337	13.8
431.16257	1.0
434.18231	0.5
435.19272	0.5
441.14423	16.3
442.15045	1.4
443.16019	3.2
444.19037	1.2
447.15631	1.1
459.15527	5.6
460.16080	2.0
461.17026	55.0
462.17535	1.8
463.18463	0.4
464.21017	0.4
470.17038	0.5
472.18723	0.7
473.16959	5.7
474.17123	0.9
475.18497	1.1
479.17896	0.6
488.18228	3.0
489.19159	0.7
490.19608	2.5
492.17639	2.2
506.19363	3.7
520.20819	2.9
521.21741	0.4
522.22107	1.7
538.21960	0.4
550.23383	1.8
566.22717	3.2
568.24420	6.5
576.21112	1.0
580.20270	1.6
582.25067	0.5
583.25525	0.4
586.21088	0.6
594.22296	14.2
594.31879	0.7
595.22900	0.6
596.23901	1.1
598.21362	4.9
599.23700	0.4
600.27032	4.6
608.24231	0.6
609.23798	0.8
612.23370	10.4
613.23260	0.5
618.23633	0.5
626.24896	100.0
627.24988	7.2
628.25659	0.6
641.26068	0.6
644.25977	19.3
645.25592	5.0
733.28638	0.4
747.30975	0.4
751.29248	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
60.46193	1.4
62.39975	1.3
65.03938	2.3
67.05486	3.8
70.06587	11.6
70.10858	2.9
70.11269	4.3
72.08114	1.8
79.05471	5.5
80.05010	6.8
81.03419	1.7
81.05755	2.0
81.07044	3.1
82.06576	3.0
84.04513	1.9
84.08132	2.1
85.02916	1.5
86.09677	3.7
91.05456	5.6
93.05782	7.3
93.07034	9.0
94.06554	16.9
95.04949	2.5
95.07338	10.3
95.08586	2.4
96.07549	1.9
96.08120	25.6
97.02893	1.2
97.06535	2.5
98.05990	1.5
103.05453	2.6
105.07005	1.6
106.06518	3.9
107.04272	1.6
107.04953	18.2
107.07275	1.8
108.08099	48.1
110.06026	2.3
110.09668	41.9
120.04414	1.6
120.08094	29.5
121.02824	3.4
122.06018	11.7
122.09635	2.5
123.06802	2.0
124.07561	5.6
129.10254	1.7
134.05991	4.0
136.07559	86.6
137.05948	6.8
138.05508	2.3
138.09119	59.9
146.05997	2.8
146.09593	3.6
148.07547	12.9
150.09091	5.1
152.07036	8.3
160.07585	2.6
162.05399	1.7
164.07077	8.7
166.08617	72.9
172.03897	5.4
172.07610	1.3
174.05457	1.7
174.09111	2.1
176.07010	3.6
189.12772	1.3
190.04953	2.5
198.61858	1.2
202.04930	1.8
204.06522	8.1
209.10730	3.3
210.11450	2.7
211.08661	1.8
211.12260	4.5
212.10693	2.6
213.10141	1.7
220.06017	34.5
220.09792	1.9
221.10704	5.0
222.11504	4.6
223.08598	2.5
223.12247	9.0
224.12891	1.9
225.10274	3.6
225.13654	2.1
227.11777	4.5
233.10562	1.8
234.11603	2.4
235.08607	6.7
235.12216	6.2
236.09410	5.5
236.13005	1.6
237.10211	16.7
237.13791	7.3
238.10913	8.1
239.11777	13.2
241.09953	1.2
244.13283	2.9
247.08621	6.3
248.09312	10.0
249.10190	33.1
250.10995	21.7
251.07999	2.9
251.11775	36.3
252.12433	5.5
253.09706	3.0
253.13330	8.3
255.11230	3.3
257.10385	1.7
261.10193	10.6
262.10977	7.5
263.08435	3.0
263.11774	76.2
264.08963	3.9
264.12518	11.6
265.09714	14.4
265.13287	21.8
266.10385	2.5
266.14008	2.3
267.11282	13.9
267.14227	1.6
269.12830	6.2
272.12802	21.5
273.12442	1.7
274.10486	1.4
275.08252	2.9
275.11707	4.0
277.09705	28.4
277.12918	2.1
278.10400	8.6
279.11249	59.0
279.14371	2.9
280.08899	1.5
280.11780	7.4
281.09573	2.6
281.12830	17.2
282.09909	3.8
283.10736	4.2
288.12143	1.7
289.09698	15.0
290.10452	4.9
291.11258	66.8
292.12009	18.7
293.09158	5.5
293.12720	32.6
294.09937	2.4
294.13034	1.6
295.10715	16.0
296.11429	3.6
297.09036	2.4
297.12286	24.4
298.13229	4.1
299.13885	4.5
303.07700	2.3
305.09064	4.4
306.09802	1.4
307.10742	15.3
308.11368	2.9
309.12302	52.5
310.12875	3.1
311.10718	1.3
311.13995	8.8
314.13522	1.7
315.14658	1.8
317.09070	6.9
318.09689	6.1
319.10712	13.7
321.12289	1.5
323.10156	6.7
323.13831	4.7
324.11136	6.6
325.11765	18.5
325.15298	2.9
326.13071	2.3
327.14478	1.5
328.14609	3.7
329.15482	2.0
335.10205	23.0
336.11023	19.6
337.11761	51.5
340.11401	1.8
341.11353	6.7
341.15567	2.8
342.12521	2.2
342.16614	6.0
343.13800	4.3
344.13867	2.0
344.17789	1.9
349.11606	1.4
353.11340	14.0
354.13022	4.8
355.13123	25.3
356.14166	3.4
357.14798	5.7
358.15610	2.7
364.14456	2.3
367.13150	12.1
368.13916	3.8
369.15009	5.3
370.15717	6.6
372.17215	2.8
373.13834	7.4
374.14786	2.5
381.12421	2.3
382.15378	3.8
383.13272	2.5
384.17038	2.1
385.14587	2.4
386.14597	1.8
386.18964	2.9
387.16663	2.6
388.16382	2.6
395.13602	1.7
396.13129	2.3
397.14484	2.3
398.14700	1.7
399.13168	2.7
399.62875	1.3
400.16504	3.2
401.14981	4.8
402.14609	3.7
403.16513	5.4
407.09686	1.4
410.14914	4.3
412.16418	3.9
413.14923	15.4
414.17828	5.0
415.16284	11.8
416.14993	2.1
416.19501	5.9
418.16827	2.0
418.21796	1.9
426.18564	2.3
428.15799	3.7
429.14035	6.7
430.17850	6.5
432.19440	5.9
438.14349	4.0
441.14355	18.3
442.16977	3.8
443.15955	12.6
444.19507	11.4
445.19839	4.7
446.21277	8.9
447.15652	2.3
448.18622	6.2
456.15311	4.8
458.16751	1.5
459.15512	2.6
460.18784	9.1
460.33044	1.5
461.17029	20.7
462.20282	35.1
463.20728	4.4
464.22025	18.8
470.16867	4.3
471.17963	1.5
472.18478	12.0
474.16290	6.2
476.21957	8.8
478.19559	1.7
480.17059	1.5
488.18155	53.7
489.18869	24.1
490.19690	88.8
491.20050	2.9
492.17404	10.0
504.17197	1.6
506.19189	87.5
507.19821	5.8
508.20605	12.9
517.17529	2.0
519.19678	1.7
520.20801	83.7
521.21100	4.5
522.22345	15.5
524.20380	1.8
538.21582	3.1
554.22614	2.3
566.22705	2.2
568.24487	25.3
569.24847	2.2
578.22375	1.5
580.20239	1.8
581.24438	1.6
582.22156	4.4
583.25067	5.2
594.22394	17.4
595.23181	2.2
596.23712	4.7
598.21729	5.1
600.26636	2.2
601.26520	9.0
609.23413	18.6
612.23499	11.7
614.25037	15.8
626.24866	38.6
627.24524	53.9
628.25458	4.2
644.26416	6.8
645.25476	100.0
646.25293	4.9
676.27417	2.0
677.27374	4.1
727.40924	1.3
733.28186	2.4
751.28613	5.1
783.31805	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.1
56.05035	1.5
59.40913	1.1
61.65063	1.2
67.05486	4.5
68.05016	1.5
69.07059	1.4
70.06582	17.3
71.59766	2.0
72.08144	3.3
79.05484	6.6
80.05003	5.1
81.03386	1.6
81.07021	3.1
82.06562	4.7
84.04503	2.5
84.08119	3.1
85.02863	2.6
86.09713	6.8
91.05460	5.3
93.05764	5.2
93.07038	11.5
94.06559	15.8
95.04942	4.4
95.07343	10.9
95.08601	2.4
96.07553	1.7
96.08126	27.6
97.02856	1.5
97.06506	3.5
98.06022	2.4
103.05461	2.8
105.06999	1.5
106.06540	4.5
107.04948	24.0
108.08103	35.5
109.10011	1.4
110.06018	5.2
110.07155	2.3
110.09668	48.7
111.09997	1.4
116.05025	1.2
118.06482	1.2
120.04433	2.8
120.08092	36.1
121.02822	4.8
122.06021	10.9
122.09637	3.4
123.06816	2.2
124.07618	6.0
129.10184	2.3
129.72000	1.1
129.72955	1.2
131.04848	1.7
132.08022	1.2
134.05981	3.9
136.07564	65.0
137.05948	9.1
137.07901	2.8
138.05501	3.3
138.09125	62.1
139.09438	1.4
144.04535	1.6
146.05977	3.7
146.09637	3.0
147.11592	1.4
148.07561	14.4
150.09163	5.0
152.07079	8.2
160.07529	1.9
164.07065	7.7
166.08623	80.6
172.03932	10.4
174.05566	1.5
174.09157	2.0
176.07140	2.7
188.07034	1.9
190.04944	2.4
190.08595	1.3
202.04988	1.9
204.06525	12.0
209.10843	3.2
210.11423	2.5
211.12309	4.7
220.06021	25.1
220.09464	1.3
221.10718	5.2
222.11453	5.1
223.08710	1.6
223.12260	5.9
224.13019	2.9
225.10211	4.3
225.13872	3.3
227.11792	3.5
233.10750	1.7
234.11475	2.9
235.08638	8.5
235.12291	7.9
236.09372	6.8
236.13071	3.9
237.10161	16.7
237.13770	8.0
238.11014	9.7
239.07919	1.5
239.11806	14.5
240.12340	1.2
241.13281	1.7
244.13350	1.5
247.08690	5.6
248.09341	10.5
249.10188	33.2
250.10960	20.4
251.07909	1.7
251.11768	42.2
252.08888	1.5
252.12460	9.1
253.09863	2.7
253.13306	8.9
254.10437	1.6
255.11206	3.1
257.10385	2.8
261.10208	12.0
262.10977	11.6
263.11761	82.4
264.08881	3.4
264.12439	13.7
265.09692	13.6
265.13303	23.2
266.10452	5.5
266.13968	3.3
267.11371	10.4
269.12875	7.3
272.12784	23.0
275.08044	2.7
275.11813	4.8
276.08899	2.1
277.09686	31.8
278.10400	8.5
279.11237	56.4
280.11865	6.6
281.04910	1.3
281.09451	1.8
281.12787	16.2
282.10025	2.7
283.10684	7.2
288.12326	2.2
289.09671	22.4
290.10501	7.3
291.11252	75.5
292.11938	21.3
293.09149	6.0
293.12714	30.9
294.09995	2.5
294.13345	1.6
295.10730	22.2
296.11560	2.3
297.12311	29.9
298.13046	3.2
299.13943	4.6
303.07574	3.3
303.10931	2.6
305.09195	4.2
307.10745	15.9
308.11444	2.9
309.12305	58.8
310.12805	4.4
311.10406	1.6
311.13950	7.5
313.13098	1.9
314.13309	1.6
314.16846	1.7
315.14502	2.4
316.14459	1.4
317.09073	8.7
318.09894	5.1
319.10751	15.4
320.10913	1.9
321.12048	1.7
323.10217	7.4
323.13895	3.5
324.10950	8.5
325.11774	19.2
327.13956	5.1
328.14429	4.2
329.12241	2.0
329.15952	1.8
330.16122	1.6
335.10205	23.1
336.11008	23.8
337.11752	52.9
338.12207	2.9
339.13156	2.1
340.11227	1.6
340.14752	2.7
341.11896	7.0
341.16010	1.9
342.12622	3.2
342.15994	5.3
343.14157	7.2
344.13846	1.7
344.17505	1.9
351.13354	2.1
353.11319	13.8
354.12875	4.9
355.13654	24.6
356.13730	7.2
356.17874	2.4
357.14633	3.8
358.15213	2.6
358.19238	1.8
367.13141	7.4
368.14014	2.8
369.14944	3.9
370.15329	3.9
371.16483	1.6
372.17178	2.3
373.13730	6.6
374.18701	1.7
375.17093	1.5
382.15631	3.1
383.13635	5.2
384.17004	4.1
385.14481	2.8
386.18802	2.7
388.20642	1.3
395.13052	2.1
396.13223	3.6
397.14905	2.6
398.14505	2.1
399.12955	2.9
400.16397	3.5
401.14581	3.6
402.14304	2.2
402.18542	2.4
403.15921	6.2
408.13071	1.9
410.14838	4.2
412.16373	3.5
413.14908	16.1
414.14188	2.0
415.16287	11.0
416.15625	2.3
416.20056	2.1
418.16895	2.0
428.15900	4.0
429.14105	7.5
430.17526	5.9
431.18054	1.3
432.18900	3.5
438.14334	5.2
441.14417	16.7
442.17117	5.2
443.15729	12.0
444.19550	9.9
445.19873	6.7
446.21332	8.1
447.15887	1.7
448.18454	6.1
456.15738	6.4
459.15674	1.6
460.18774	8.1
461.17038	18.5
462.20343	35.4
463.21051	6.7
464.21750	19.4
470.16916	5.3
472.18579	11.7
473.16806	1.6
474.16492	5.8
476.21683	4.6
478.19312	2.0
479.20328	2.0
480.17337	1.9
488.18118	69.1
489.18823	20.9
490.19696	88.1
491.19830	7.1
492.17633	13.2
506.19159	80.0
507.19727	9.1
508.20630	10.5
520.20776	46.4
521.20996	3.0
522.22345	9.6
524.20264	1.5
538.21826	2.8
550.22784	1.5
554.22565	1.9
566.22638	1.6
568.24371	25.8
569.24689	3.2
581.23749	1.9
582.22339	4.5
583.25812	8.2
594.22137	17.5
595.23071	2.9
596.23712	5.1
598.21405	4.8
599.24963	2.2
600.27386	1.4
601.26477	8.4
609.23450	20.4
612.23529	14.3
613.23901	1.6
614.24878	9.4
626.24945	32.3
627.24493	52.7
628.24573	3.5
644.25848	5.3
645.25464	100.0
646.26038	7.0
677.27740	3.0
751.29248	8.0
765.30676	1.5
783.31689	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	781.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	1.5
66.79890	1.2
67.05503	4.1
69.03404	1.4
69.97073	4.7
70.06587	1.3
79.05486	4.0
80.04984	2.0
81.07036	1.9
82.06559	1.8
91.05469	3.0
93.05786	1.7
93.07034	5.6
94.06541	7.8
95.04941	1.8
95.07339	4.0
95.08617	1.8
96.08116	15.1
97.06537	1.8
103.05463	1.3
105.07036	1.5
107.04960	7.4
108.08099	20.5
110.09669	27.4
118.06576	1.4
120.04462	1.2
120.08089	19.7
121.02849	17.4
122.06028	8.8
122.09666	2.4
124.07601	5.9
136.07559	27.6
136.08534	2.0
138.09117	40.4
148.07565	8.8
150.09135	3.6
152.07054	2.7
152.88857	1.2
156.93381	1.1
164.07071	3.5
166.08623	43.0
184.07381	2.0
202.05016	3.4
211.12280	1.6
212.09413	1.3
219.09161	1.2
220.06059	4.3
221.10703	1.6
222.11424	2.5
223.12256	6.0
224.13106	1.3
225.10216	2.1
234.07552	7.5
234.11354	1.1
235.08643	5.2
235.12326	5.9
236.09448	2.9
237.10214	11.1
237.13780	2.4
238.10953	10.7
239.11722	11.1
241.13551	1.2
247.08766	3.9
248.09459	4.8
249.10181	28.3
249.12576	1.8
250.10966	21.2
251.11749	29.3
252.12611	3.4
253.09691	2.8
253.13246	6.0
255.11342	1.5
261.10251	8.0
262.11002	10.5
263.08533	3.0
263.11761	64.0
264.08981	2.8
264.12534	7.5
265.09775	12.8
265.13370	14.6
266.10544	3.2
267.11237	8.4
275.11642	2.2
277.09717	28.6
277.12927	2.0
278.10498	5.0
279.11270	41.3
280.12033	6.2
281.09433	2.2
281.12863	11.8
282.09955	4.2
283.10895	5.9
284.11469	1.6
285.12289	2.9
289.09692	4.6
290.10510	5.5
291.11227	64.5
292.12009	25.3
293.09262	3.2
293.12735	29.5
294.10196	1.8
294.13391	1.4
295.10788	17.8
295.14133	1.8
296.11462	2.7
297.12381	6.9
303.07712	2.9
305.09457	1.3
305.12961	1.8
306.09860	1.3
307.10733	14.1
308.11362	2.6
309.12329	14.2
310.12991	2.8
311.10486	2.0
311.13773	8.0
317.09238	2.4
318.10120	4.0
319.10751	14.9
321.12277	1.4
323.10199	3.5
323.13919	8.2
324.10986	11.3
325.11813	18.0
326.12540	2.0
328.14301	1.9
335.10153	10.2
336.10983	23.4
337.11761	52.2
338.12466	2.5
339.13428	2.6
340.14224	1.6
342.16141	2.5
349.24399	1.2
351.13327	2.4
353.11539	1.3
354.16049	2.3
355.12735	16.5
356.13721	4.1
356.17563	2.0
357.14395	17.6
358.15384	2.6
358.19666	1.5
367.12863	21.5
368.13663	4.2
369.14545	9.7
369.72974	1.2
370.15411	4.4
372.17001	1.8
384.17111	1.6
385.15204	2.5
386.18744	2.8
387.16537	2.5
397.14706	1.4
402.18091	2.9
403.19110	8.1
404.19650	1.5
412.16534	1.6
414.18240	2.5
416.20041	1.9
426.17953	1.6
428.15704	1.8
429.14410	2.1
430.17694	4.9
432.19040	1.4
441.14932	1.6
443.16449	1.7
444.19324	8.4
445.19873	6.2
446.21426	5.3
458.16309	2.1
458.21609	2.4
460.18518	4.7
461.18301	1.8
462.20499	2.7
470.17172	1.7
471.17896	3.9
472.18564	11.8
476.21860	6.2
488.18124	21.6
489.18909	42.0
490.19659	82.6
491.19940	2.1
492.21353	2.7
502.19843	2.9
520.20770	75.2
521.21478	10.8
522.22296	100.0
523.22345	3.0
549.75958	1.2
550.23187	5.6
551.23792	4.0
552.25012	2.8
564.20898	3.5
567.25842	8.2
576.20996	5.1
577.22388	2.0
578.22516	10.1
593.23987	19.0
594.22357	16.4
595.23132	14.4
596.23804	51.8
597.24951	2.2
611.24933	95.8
612.24609	3.0
614.24652	1.8
625.26117	3.3
626.24768	4.1
643.27582	8.2
699.27692	3.3
717.28949	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	781.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17969	1.0
67.05504	2.9
70.14191	4.7
71.53816	1.1
79.05493	3.1
80.05002	1.4
82.06590	1.4
83.25966	1.0
91.05463	2.5
93.05745	1.0
93.07024	4.7
94.06552	8.6
95.04971	1.3
95.07339	4.7
96.08123	17.7
97.06525	1.8
99.63118	1.1
101.99712	1.0
103.05459	1.3
106.06551	2.3
107.04945	6.4
107.07368	1.2
108.00032	1.0
108.08110	20.0
109.08902	1.7
110.09677	26.4
120.04450	2.1
120.08093	23.1
121.02850	14.2
122.06023	11.9
122.09666	2.6
124.07606	5.3
134.05954	2.0
136.07559	23.4
138.09120	40.5
146.09628	1.2
146.54984	1.1
148.07547	12.7
150.09142	4.6
152.07050	4.7
158.65619	1.2
164.07059	1.9
166.08621	46.8
174.09195	1.8
176.07140	2.6
188.03407	1.5
190.05052	1.4
202.04958	5.0
204.10120	1.0
209.10693	1.9
210.11386	2.3
211.08815	1.3
211.12383	3.2
220.06027	13.2
221.10785	2.1
222.11594	1.8
223.12326	8.1
224.13074	1.7
225.10175	2.6
227.11749	2.2
233.10742	1.6
234.07571	7.2
235.08685	5.1
235.12245	6.0
236.09444	3.8
236.13011	2.0
237.10214	13.1
237.13933	3.6
238.10960	8.9
239.11806	13.2
241.13466	1.8
247.08609	2.8
247.12364	1.8
248.09438	9.0
249.07593	1.2
249.10219	31.4
250.11003	21.3
251.11768	32.9
252.12549	4.4
253.09709	4.3
253.13217	7.0
255.11191	2.1
260.33374	1.1
261.10233	8.8
262.11008	11.7
263.08411	3.3
263.11774	71.5
264.09241	1.7
264.12460	9.9
265.09726	14.1
265.13342	17.8
266.10385	2.9
267.11243	8.0
269.12811	2.5
273.12439	1.7
275.07858	1.9
275.11713	2.3
276.08914	1.9
277.06641	1.8
277.09702	37.6
277.12851	1.9
278.10410	8.3
279.11255	48.8
280.11945	6.7
281.12790	12.3
282.10077	2.8
283.10764	5.4
284.11517	1.9
285.12430	2.3
289.09671	5.0
290.10425	6.0
291.11255	80.3
292.08701	1.7
292.12000	31.7
293.09161	4.5
293.12732	33.0
294.09976	1.6
295.10788	20.3
295.14160	2.1
296.11502	2.9
297.12289	7.1
303.07849	2.5
305.09225	1.9
305.12561	1.5
307.10751	12.3
307.14243	1.7
308.11603	3.2
309.12341	16.4
310.13086	1.9
311.13940	6.7
317.09201	2.4
318.09885	5.0
319.10715	15.5
321.12448	1.9
323.10287	4.0
323.13916	5.3
324.11087	14.0
325.11801	17.3
327.13589	3.9
328.14545	1.8
329.15152	1.5
335.10294	8.3
336.11032	34.2
337.11786	64.9
338.12201	3.1
339.13599	2.2
340.14539	1.2
342.15979	3.4
344.17410	1.5
351.13516	3.2
353.11542	3.2
355.12863	20.7
356.13846	3.8
356.17795	1.5
357.14487	14.5
358.15399	2.0
367.12872	20.5
368.13754	2.6
369.14633	8.1
370.15451	3.6
373.13843	1.1
374.18668	1.7
382.15329	1.4
384.17102	2.3
385.15359	2.2
387.16095	1.5
397.14551	2.2
398.14651	1.4
400.16119	2.3
402.17963	2.6
403.19257	5.4
404.19659	1.5
412.16620	1.9
413.14713	1.5
414.18314	2.8
415.15176	3.3
416.15402	1.8
416.20239	2.5
418.21548	2.6
429.14685	1.0
430.17575	4.4
432.19196	2.7
440.16217	3.0
441.14584	2.2
442.17520	2.1
443.15961	2.0
444.19458	7.2
445.19965	9.5
446.21310	8.3
448.18494	2.2
458.16580	2.5
460.18698	4.3
461.17181	3.3
462.20215	3.2
470.17102	1.6
471.17856	4.4
472.18570	16.7
476.21835	2.2
478.19553	2.1
488.18198	25.8
489.18909	48.6
490.19708	99.9
491.20010	4.7
492.21240	2.5
502.19470	1.6
503.20514	1.3
508.21561	1.5
520.20758	64.9
521.21228	10.5
522.22296	82.3
523.22589	4.1
550.23230	4.7
551.23822	2.5
552.24817	1.5
564.21613	1.3
567.26227	7.6
576.21185	2.4
577.21838	1.5
578.22516	6.4
583.24536	1.8
593.23871	16.9
594.22345	10.7
595.23157	9.7
596.23901	31.6
597.24829	1.4
611.24957	100.0
612.25220	6.3
625.26251	1.7
626.24646	6.3
643.27539	9.0
699.27582	2.6
717.28693	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	2.7
63.38689	1.0
65.03932	1.1
67.05497	4.5
69.03416	2.3
69.07046	1.9
70.06590	7.3
71.44109	1.2
71.59974	1.6
72.08135	2.1
79.05482	3.4
80.04996	1.3
81.03420	2.9
81.07049	5.0
84.08154	2.6
85.02872	1.9
86.09707	3.4
91.05473	4.3
92.05796	1.2
93.05785	1.4
93.07036	5.4
94.06584	5.5
95.04955	3.8
95.07351	3.8
96.07625	1.1
96.08128	6.7
97.02895	1.1
97.06547	1.4
103.05448	1.7
104.13015	1.2
105.07032	2.1
106.06549	2.7
107.04964	7.9
107.08569	2.0
108.08126	10.3
109.10155	1.6
110.09682	15.8
119.08607	1.2
120.08105	12.7
121.02875	1.7
121.06551	1.7
122.06039	4.2
124.07611	3.7
127.03880	1.3
131.08597	1.5
134.05952	1.1
136.07571	10.4
138.09140	21.7
146.09569	1.3
148.07567	9.1
150.09146	2.0
152.07083	2.2
156.13747	1.1
158.92781	1.3
164.07053	1.3
164.25443	1.2
166.08636	23.8
167.53940	1.2
174.09210	1.3
178.70660	1.2
202.04980	1.8
220.06084	5.0
223.12381	1.7
234.07677	5.0
234.11540	1.5
235.08702	4.1
235.12257	2.3
236.09419	1.8
237.10297	7.0
238.10963	7.2
239.11682	6.6
247.08603	3.4
248.09435	3.7
249.10283	16.7
250.10980	16.0
251.07967	1.9
251.11818	17.6
253.13272	2.0
255.11269	1.3
261.10205	5.3
262.10999	5.3
263.08810	1.8
263.11786	37.7
264.08975	1.7
264.12479	3.9
265.09818	8.2
265.13229	6.2
266.10480	2.0
267.11371	2.7
269.12982	1.9
277.09683	17.0
278.10495	3.4
279.11298	29.8
280.12030	2.9
281.09686	1.7
281.12732	7.3
282.09967	3.0
283.10672	3.2
289.09738	2.7
290.10562	2.4
291.11273	31.1
292.12012	14.4
293.09561	2.5
293.12869	13.2
295.10794	10.0
297.12454	3.1
302.10681	1.2
303.07950	1.2
307.10806	7.7
308.11630	2.0
309.12274	9.2
311.10492	1.3
311.13763	2.5
318.10153	2.6
319.10809	9.1
320.42752	1.4
321.12247	1.7
323.10342	2.7
323.13950	3.2
324.10956	4.8
325.11761	9.9
327.13489	3.5
329.14911	1.9
335.10321	7.8
336.11005	11.4
337.11792	30.1
338.12344	2.3
342.16068	2.6
351.13748	1.7
353.11533	2.0
355.12866	15.4
355.16885	1.9
356.13739	2.4
356.17661	2.0
357.14423	16.6
358.15222	1.4
367.12906	16.2
368.13724	1.9
369.14346	7.2
370.15427	2.6
373.13931	1.5
387.15778	1.5
401.15411	1.4
403.18967	6.8
412.16473	1.4
429.14401	1.7
430.17300	1.7
432.19263	1.8
444.18991	2.8
445.19778	2.7
446.21014	2.1
448.18488	2.6
458.16995	2.0
460.18958	2.7
472.18585	6.6
478.19736	1.9
488.18307	10.7
489.18964	17.4
490.19745	38.4
492.21228	2.7
494.22366	1.8
504.21149	1.7
520.20776	63.3
521.21429	13.8
522.22369	100.0
523.22626	2.7
593.23956	6.6
596.23224	2.6
611.25012	41.6
617.83099	1.3
625.26440	2.7
626.24976	1.6
643.27686	12.1
647.26642	1.4
675.30035	1.4
781.43567	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.7
56.05024	1.3
57.03415	1.3
57.40230	1.0
64.13817	1.0
65.03916	1.7
67.05478	4.8
69.03410	1.5
69.07056	1.2
70.06577	10.0
70.11617	4.4
72.08140	2.6
79.05471	6.0
80.04996	3.1
81.03394	3.4
81.05780	2.4
81.07047	2.0
82.06550	2.0
83.08636	1.3
84.04488	2.2
84.08115	3.4
85.02896	2.2
86.09691	3.9
87.04441	1.6
91.05468	5.9
93.07044	9.2
94.06556	15.0
95.04955	5.7
95.07346	8.1
95.20514	1.1
96.08112	16.6
97.02879	2.2
97.06511	2.6
98.01606	0.9
103.05437	2.5
105.04518	1.2
105.07014	1.5
107.04945	34.7
108.04480	1.8
108.08104	16.5
109.10124	2.2
110.09666	29.0
115.62075	1.0
120.04437	2.6
120.08083	19.7
121.02853	3.0
121.06480	2.1
122.06016	7.7
122.09645	1.2
122.99438	1.1
124.07562	1.0
132.07982	1.3
133.10106	1.1
136.07558	9.5
138.09119	29.7
138.10188	1.5
146.06003	1.6
148.07581	7.1
150.05508	1.1
152.06981	1.3
160.07562	2.8
164.07048	1.9
166.08614	36.3
172.03926	3.3
178.04994	1.4
181.18042	1.0
184.07370	1.3
184.53958	1.1
185.07092	1.3
204.06514	2.9
211.08559	2.7
213.10207	3.2
219.31670	1.1
220.07643	1.1
223.08641	1.6
225.10287	2.3
227.11789	1.4
235.08647	3.2
237.10181	3.8
239.11768	2.0
241.09746	2.6
241.13332	2.1
243.11255	2.2
247.08653	13.4
248.07085	1.1
248.09375	4.4
249.10193	18.0
250.10899	2.0
251.11766	3.7
253.09683	2.6
255.11134	1.2
261.10205	9.2
262.11093	3.4
263.08136	1.7
263.11819	5.9
264.09039	1.2
265.09616	4.5
267.11307	1.8
271.10736	2.1
273.12338	1.8
275.08081	2.5
277.09689	9.1
278.10452	2.9
279.11203	3.9
281.09241	2.7
285.12494	5.1
289.09402	2.1
290.10315	1.6
291.11288	3.3
292.12045	1.7
293.09229	3.1
294.07309	1.1
295.10995	2.2
297.12320	1.2
302.13672	2.9
303.07779	1.9
303.13602	2.9
304.08347	1.3
305.08981	2.7
307.10645	2.7
309.12378	3.5
310.13602	1.3
311.10715	1.9
311.14206	2.2
312.11777	1.1
313.12759	3.0
314.12863	4.2
315.13898	1.7
316.11072	1.8
316.14575	1.3
324.11649	1.5
324.14944	3.3
325.12866	2.2
326.12997	3.1
327.13904	3.7
328.11066	2.1
328.14618	2.4
329.11716	3.9
330.12448	3.3
330.16141	2.3
337.12146	1.7
338.12863	3.6
339.10474	3.5
339.14157	1.6
340.11340	4.7
340.14896	2.2
341.11963	6.1
342.12390	8.0
342.15808	2.0
343.13260	3.4
344.13876	3.2
346.15579	1.9
351.13922	1.2
352.14636	6.0
353.12219	5.9
354.12378	9.2
354.16199	1.7
355.13736	8.1
356.14063	8.7
357.15073	5.0
358.11502	1.5
358.15448	3.9
365.11475	1.4
366.12357	4.6
367.13409	1.3
368.09705	4.9
368.14389	5.4
369.11026	2.7
369.15067	2.3
370.11658	4.6
370.15768	10.2
371.12579	2.4
372.13162	3.0
372.17084	2.8
374.14935	2.8
379.13150	1.4
380.14001	17.3
381.14929	1.7
382.11731	14.9
382.15662	4.1
383.12521	8.3
384.13300	14.4
384.17514	1.8
385.14288	3.3
386.15024	5.3
387.15927	1.7
388.16812	2.5
396.13205	6.6
397.14163	5.5
398.14975	29.7
399.15289	4.6
400.16663	11.4
401.13889	3.1
402.14291	3.3
404.16122	2.2
408.13248	3.1
410.15182	6.7
411.12152	3.3
412.12653	15.0
413.13745	2.6
414.14386	4.2
415.15652	2.6
416.16068	9.1
417.17603	1.6
418.13977	1.5
420.16553	1.7
424.12607	2.3
425.13559	2.5
426.14404	40.3
428.16068	22.7
429.13141	1.8
430.14349	4.6
431.15668	1.2
432.15665	4.2
436.12610	1.3
442.13696	12.0
443.14374	1.6
444.15463	13.4
445.15564	1.6
446.16803	1.9
447.16119	1.3
448.16245	2.4
454.13937	50.3
455.14386	1.7
456.15543	2.5
458.16898	3.1
459.15344	1.9
460.14426	10.8
462.18124	2.9
464.19199	1.4
468.15164	3.4
472.14996	43.2
473.15765	1.7
474.16541	3.2
476.16412	1.6
477.16641	2.5
478.17007	1.9
484.15027	1.7
486.16537	8.4
488.18942	2.7
490.16891	5.6
492.17819	11.3
504.17633	29.4
505.16257	2.4
506.19763	1.2
510.69592	1.1
516.17627	1.8
518.17163	1.8
532.18964	2.7
534.19342	2.5
550.19470	2.1
552.19952	1.2
560.17810	3.2
566.23108	10.0
578.19189	28.2
580.20367	2.2
581.23492	1.6
589.20538	1.7
592.20776	1.7
597.23352	1.4
598.21759	72.2
599.22650	1.8
601.37640	1.3
607.21838	12.1
610.21741	31.4
610.56451	1.3
611.23236	1.2
616.22217	1.5
619.35394	1.4
624.22668	4.2
625.22852	100.0
626.23572	3.1
639.24335	13.2
643.23853	16.7
657.25464	57.5
658.25385	2.0
669.25391	4.9
713.26495	7.7
717.29108	1.6
731.27264	4.9
745.28339	11.2
763.29602	46.3
781.30316	9.7
781.42645	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	781.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67260	0.4
56.94296	0.7
56.96561	1.5
69.03432	1.0
69.38723	0.9
69.39137	3.6
70.06592	1.0
70.95872	0.9
72.93787	1.7
79.05486	1.6
81.03404	1.0
88.96876	0.6
90.94830	2.2
95.04969	2.7
97.02899	1.0
98.20762	0.7
98.97569	3.8
107.04945	96.3
108.05264	2.7
108.95844	0.7
109.02869	0.5
109.06531	0.5
116.98608	3.9
123.04410	5.4
124.04729	0.5
132.95828	3.3
134.97392	1.2
134.99648	1.8
140.53160	0.5
144.95830	1.8
146.97368	1.3
147.04381	1.0
150.96861	2.6
158.97385	8.7
158.99611	1.5
161.01241	0.9
161.02539	0.8
162.96866	3.1
163.00546	0.6
164.98389	0.9
168.95889	1.2
170.97427	0.8
174.96902	2.3
176.98445	8.4
177.00711	2.7
178.97888	0.5
184.98882	0.5
186.96834	3.7
187.00533	1.0
188.98380	1.6
189.02080	1.5
190.99954	0.6
195.01721	0.7
196.98975	1.0
197.01183	0.4
198.96947	2.3
201.00652	0.5
204.97932	2.3
205.01599	1.2
207.03136	1.3
210.97058	0.6
212.98399	0.5
213.02075	1.4
215.00093	1.1
215.05902	0.5
216.97888	11.4
217.01559	1.8
218.99643	0.5
219.01764	1.7
225.02069	0.6
229.01591	0.8
231.03105	4.7
233.01036	1.3
233.04764	0.6
233.06982	0.7
234.98975	100.0
235.99324	1.1
237.02724	3.5
243.03185	2.3
243.05379	1.1
253.00023	22.4
255.03474	0.9
258.00592	5.4
259.02695	0.8
261.06635	0.9
267.03171	3.1
273.04044	0.6
275.99203	1.1
276.99976	3.4
279.07553	0.6
289.03650	42.7
290.04016	0.7
291.01563	2.1
292.99500	0.9
305.03375	1.0
307.04666	2.1
315.05139	1.6
317.03174	5.0
317.08981	0.8
319.04718	1.3
323.02078	1.4
333.06284	10.3
335.04202	22.1
335.10141	1.8
351.03445	0.6
351.07407	1.2
361.05795	4.3
363.09451	2.9
376.07126	0.6
379.06836	38.0
380.07111	1.1
381.10620	10.6
396.09192	0.7
397.07895	40.5
398.08017	0.6
399.03723	0.8
420.09677	5.4
442.59427	0.6
451.54071	0.6
485.11047	10.4
497.15341	1.7
513.12921	5.1
525.14856	0.6
541.12177	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	778.5375
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.8
58.06360	0.3
58.06627	0.4
59.07380	0.2
60.08161	5.9
67.05502	0.2
70.06602	0.2
71.01576	0.3
71.07371	3.9
79.05503	0.1
83.90377	0.1
86.09704	31.7
87.10062	0.2
98.98459	4.0
104.10741	1.9
115.03872	0.1
125.00002	21.3
142.49826	0.1
143.01033	0.3
184.07335	100.0
185.07677	0.3
386.00348	0.1
518.32172	0.2
704.31885	0.2
778.53766	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5374
Annotation	PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
Peak:m/z	Relative Intensity
56.05037	0.8
58.06625	0.5
59.07401	0.2
60.08163	7.8
70.06583	0.3
70.75233	0.4
70.75565	0.3
71.07375	4.5
79.05516	0.1
79.25889	0.2
81.07072	0.2
84.86229	0.2
86.09704	38.2
87.10035	0.2
93.26397	0.2
98.98466	4.5
104.10744	2.5
125.00004	26.1
143.01038	0.6
184.07336	100.0
185.07626	0.3
220.46455	0.2
326.53384	0.2
354.11050	0.2
355.11780	0.2
414.42941	0.2
518.32196	0.2
778.53644	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.5529
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.6
58.06359	0.2
58.06629	0.5
59.07415	0.1
60.08164	5.6
67.05505	0.2
70.04295	0.7
71.07373	3.6
75.36954	0.2
80.64289	0.1
81.07054	0.2
86.09705	28.5
87.10057	0.2
95.08626	0.2
98.98464	2.9
104.10741	2.0
125.00003	18.6
131.32466	0.1
142.03377	0.2
143.01025	0.5
166.02667	0.2
184.07339	100.0
185.07701	0.8
342.86630	0.1
448.21121	0.2
505.70053	0.1
780.55261	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.0
55.05503	2.3
56.96546	0.5
57.03413	2.1
57.07065	0.5
59.04971	0.6
60.14148	0.4
61.02684	0.4
61.02924	4.5
65.03920	0.6
67.05499	5.7
69.03438	2.7
69.07065	3.4
69.52369	3.7
71.01347	0.5
71.04983	1.3
73.02914	3.3
73.06564	0.4
79.05490	6.5
81.03404	2.7
81.07050	6.3
83.05019	1.0
83.08611	1.0
85.02895	4.2
86.09704	0.8
87.04455	1.4
89.06024	7.0
90.06355	0.7
91.03951	1.9
91.05478	5.6
92.63177	0.4
93.07041	5.2
95.04958	2.3
95.08591	4.5
97.02882	4.4
97.06528	0.7
97.10179	1.1
99.04470	1.0
101.02374	1.2
103.05457	0.9
105.07022	15.1
106.07358	2.5
107.04958	1.8
107.08586	3.7
109.02876	0.7
109.06518	1.1
109.10172	1.5
115.05463	0.5
117.07020	1.7
119.08586	2.4
121.06507	1.0
121.10130	2.3
125.09614	0.5
126.20474	0.4
127.03934	1.3
129.07024	0.8
131.08574	1.5
133.08609	3.4
133.10155	1.3
134.08896	0.6
135.08057	1.1
135.11674	2.9
137.05997	1.4
139.52487	0.5
140.39905	0.4
145.10092	2.1
147.11713	0.9
149.13380	0.5
163.07524	2.9
163.11172	4.7
177.11258	1.6
181.12262	1.0
184.07336	1.7
185.04150	0.6
193.12256	0.6
227.12776	3.6
241.12318	1.0
242.12604	0.6
243.08345	3.7
249.10939	7.1
285.14853	0.5
305.13626	1.4
327.10699	0.5
333.20374	1.0
334.14804	0.5
389.22412	0.8
439.19583	1.1
453.20892	0.8
467.18829	10.1
482.83511	0.4
539.21021	0.7
551.28156	7.8
742.04285	0.6
777.40228	100.0
778.40228	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	777.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41283	0.3
55.01865	0.5
55.05507	2.2
57.03435	1.8
57.07108	0.3
57.78316	0.3
61.02922	3.9
63.46545	0.4
65.03925	0.5
65.53898	0.3
67.05501	5.6
68.05870	0.3
69.03425	3.1
69.07072	2.3
69.92723	1.7
70.04058	0.5
71.04983	0.9
73.02919	4.2
79.05487	5.3
81.03412	2.2
81.07049	6.4
83.04971	1.4
83.08611	1.2
85.02904	4.5
86.09697	0.7
87.04466	0.6
89.06043	1.0
91.03957	2.0
91.05476	3.6
92.05814	0.4
93.07039	5.7
95.04951	2.3
95.08595	4.1
97.02881	3.4
97.06547	1.0
97.10140	0.3
98.21379	0.4
99.04471	1.1
101.02386	1.5
103.05479	0.5
104.35809	0.3
105.07022	4.3
106.07360	0.6
107.04977	1.3
107.08587	3.3
109.02876	0.7
109.06528	0.9
109.10172	1.3
117.07026	1.4
119.08540	2.2
121.06502	1.9
121.10161	1.8
127.03908	1.2
129.06967	0.4
130.07817	0.4
131.08603	1.3
133.08597	0.4
133.10078	2.0
135.08058	0.4
135.11688	4.8
145.10118	2.0
147.11676	0.7
149.09613	0.5
149.13268	0.6
154.33815	0.4
157.10141	0.4
159.11740	0.4
163.11168	5.2
164.46716	0.4
171.11626	0.4
181.12303	1.1
184.07256	1.7
185.04285	0.7
203.05312	0.3
219.09935	0.6
227.12732	3.3
227.14577	0.3
243.08391	3.4
247.41679	0.3
249.10962	8.3
259.20575	0.4
286.17252	0.4
305.13675	2.3
333.20398	1.2
333.24118	0.4
439.19470	1.9
453.21048	1.3
467.18900	12.1
469.20541	0.8
535.29022	0.4
551.28247	6.4
551.36194	0.5
615.34552	0.6
665.30627	0.4
672.61078	0.4
777.40228	100.0
778.40509	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	776.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.6
55.05508	19.7
56.96553	2.3
57.03434	10.3
57.07064	3.4
59.04992	4.0
60.70567	1.7
61.02913	7.0
65.03932	3.5
67.05501	100.0
69.03421	8.3
69.07062	24.2
71.04991	31.2
71.59299	1.6
71.59721	2.5
73.02911	2.5
79.05048	3.7
79.05485	47.3
79.53993	2.1
81.03401	17.1
81.07051	57.6
83.04979	10.1
83.08620	16.2
85.02896	5.0
85.06541	5.4
86.09685	8.6
87.04485	1.9
91.03938	2.3
91.05473	44.5
93.07043	49.4
93.99455	2.2
95.04980	12.3
95.08605	29.6
97.02892	7.1
97.06533	13.5
97.10168	9.5
99.08083	3.2
105.07025	29.9
107.04958	10.4
107.08588	33.4
109.02821	2.7
109.06550	5.8
109.10143	53.3
111.00895	2.2
111.08092	5.5
115.05470	2.3
117.07021	13.4
119.08566	32.1
121.06509	8.8
121.10126	14.9
123.08082	4.6
123.11705	4.4
124.99943	3.0
125.09641	6.7
127.03938	2.8
129.07010	4.8
131.08549	10.8
133.10107	16.1
135.08057	5.5
135.11673	22.3
137.09621	13.0
141.06915	2.2
141.75575	2.1
143.08562	3.1
145.10118	11.5
147.11667	10.4
149.09586	8.7
149.13261	6.6
155.08536	3.0
157.10088	4.0
159.11710	8.4
161.13248	3.0
163.11122	11.4
169.10146	3.5
171.11717	4.3
173.04489	3.0
173.11737	7.2
173.13202	3.9
175.11198	2.3
179.14334	3.2
181.12215	3.9
184.07339	17.4
189.11247	2.9
211.13274	4.0
227.12735	14.1
229.14299	3.9
239.16367	2.3
255.15910	6.2
257.19083	4.5
267.16016	4.7
269.17462	6.0
275.20035	17.1
283.15384	2.3
287.18536	16.6
291.19254	2.5
303.15823	2.3
349.23743	16.7
351.25354	2.9
404.78418	2.1
409.25644	6.3
413.25330	4.7
423.27420	17.8
431.28195	2.6
435.27393	13.2
437.29019	4.6
449.28833	11.9
467.30365	5.0
481.31635	24.8
485.32520	5.3
503.33658	37.7
517.35168	4.3
529.35004	14.9
543.36603	6.8
561.38092	17.5
567.32001	3.1
777.39313	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	776.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42115	1.1
55.01851	1.5
55.05503	15.2
56.96552	2.1
57.03434	5.3
57.07071	1.5
60.05173	1.3
60.08164	6.5
61.02912	3.8
63.39837	1.1
65.03932	1.6
65.77030	1.4
67.05497	33.0
69.03426	4.2
69.07057	12.1
70.06600	1.9
71.04987	3.2
71.07388	2.7
71.30351	3.2
79.05487	27.9
81.03410	14.7
81.07052	34.6
83.04971	5.8
83.08607	8.4
85.02895	5.6
85.06540	2.4
86.09698	31.8
91.03951	3.3
91.05473	25.3
93.07035	25.2
95.04965	12.6
95.08602	17.0
97.02871	3.5
97.06506	7.7
97.10162	6.5
98.98454	3.0
99.04436	1.7
103.05461	1.5
104.10715	2.3
105.07018	21.6
106.07344	1.9
106.10297	1.6
107.04938	7.4
107.08590	15.2
109.06502	4.0
109.10142	9.3
111.08069	2.8
117.07023	7.5
119.08559	16.4
121.06499	6.5
121.10107	10.8
124.99981	18.6
125.09634	4.2
129.06970	6.0
131.08553	12.1
133.10133	13.9
135.08069	2.8
135.11702	6.7
139.11127	1.5
141.06950	2.0
143.08539	5.1
145.06500	1.9
145.10104	9.2
147.08092	2.1
147.11673	7.4
149.09645	3.9
149.13242	4.0
155.08560	2.9
157.10161	6.4
159.11646	9.7
161.09656	2.7
161.13280	2.2
163.11099	2.4
169.10167	2.5
171.11667	4.6
173.13286	3.7
175.11119	2.4
177.12796	2.0
183.11720	2.0
184.07323	100.0
185.13223	3.5
187.10982	2.1
189.11249	2.7
193.12228	2.9
197.13293	2.3
199.14796	2.3
227.12781	5.1
239.18143	1.5
243.15958	2.0
257.18915	1.5
259.20599	4.6
267.09064	1.6
267.15897	5.2
269.17511	4.1
275.20041	4.6
285.17599	1.7
287.18521	2.0
291.19516	2.4
303.20761	1.6
331.22711	2.1
333.24283	2.9
349.23730	3.9
416.04068	1.5
421.26022	2.0
423.27179	1.9
433.30884	3.5
435.27673	1.9
437.28976	4.6
451.31912	5.2
463.30103	2.6
469.33237	3.9
481.31329	2.4
487.34570	2.1
517.35046	3.3
525.35730	9.3
543.29230	2.5
543.36804	31.9
561.37872	13.7
662.08740	1.8
708.42004	4.8
776.38904	2.0
777.40192	19.4
800.01642	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04994	0.2
65.03948	0.1
67.05488	0.2
69.03412	0.1
73.02908	0.2
73.06208	0.1
73.06557	0.5
77.03897	0.5
79.05483	5.3
81.03394	0.2
81.07046	0.1
84.56364	0.1
87.03909	0.1
87.04462	4.7
89.06021	28.2
91.05464	1.9
91.07605	0.2
93.07051	0.8
95.04959	2.6
103.05459	5.1
105.07020	100.0
106.07358	1.1
107.04969	0.2
107.07063	1.4
115.05396	0.1
117.06992	0.4
117.09123	0.4
119.04954	0.5
119.08553	0.7
121.06493	5.8
128.06218	0.2
129.06996	0.9
130.08615	1.0
131.07060	1.6
131.08556	4.1
133.08589	20.4
134.08966	0.1
135.08025	0.2
145.06482	0.3
147.08038	2.3
149.09622	0.8
151.09633	0.2
163.07524	0.2
165.06996	0.3
165.09079	1.4
166.07751	0.5
169.10100	0.2
173.09633	0.3
175.09688	0.9
175.11081	0.2
177.11208	8.0
179.08519	0.3
181.10103	0.3
183.10222	0.1
189.05579	0.1
191.10622	0.4
192.09328	0.2
193.10225	0.1
193.12212	0.2
195.12097	0.2
197.09496	0.2
197.13164	0.1
207.11726	0.3
209.09981	0.1
209.11595	0.5
209.13332	0.6
211.13245	0.4
219.12178	0.3
221.13820	1.6
222.10400	0.1
223.11194	0.9
223.15097	0.1
225.12717	6.2
226.13078	0.2
227.12727	0.4
229.61993	0.1
239.14830	0.6
249.12671	0.4
251.14290	6.5
252.14728	0.1
253.16045	1.4
255.15953	0.4
265.16394	0.3
267.13715	0.4
267.17810	0.1
269.15332	4.0
271.15274	0.5
279.15756	0.1
283.17477	0.6
295.16904	0.8
301.15726	0.2
309.19165	0.2
311.16333	0.4
313.17935	2.2
315.18011	0.5
327.17288	1.2
327.20450	0.1
329.18961	5.1
330.19324	0.1
353.18503	0.2
355.19812	0.2
357.20706	0.5
359.20584	0.7
371.19760	0.3
373.21558	3.7
374.21838	0.2
375.21490	0.3
401.22931	0.2
403.23154	0.3
417.24127	0.3
419.24295	0.6
447.25818	2.0
463.26648	0.7
477.27878	1.6
507.29568	0.7
551.32104	6.7
552.32440	0.5
567.32581	0.1
611.35785	0.1
642.70111	0.1
655.27930	0.1
655.38330	1.7
656.37866	0.2
759.43994	0.2
776.45941	0.2
776.59058	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.4
55.05509	4.1
57.03437	2.4
59.09545	0.4
61.02920	3.8
64.92462	0.4
65.03918	0.9
66.00118	0.5
67.05497	10.3
68.05828	0.6
69.03429	3.1
69.07056	4.5
69.32208	3.8
71.04987	1.7
73.02905	3.8
79.05485	10.4
81.03404	2.2
81.07053	8.7
83.04990	1.5
83.08615	1.4
85.02901	4.5
85.06552	0.6
87.04450	0.9
89.06024	0.5
91.03939	2.4
91.05470	7.6
92.05832	0.7
93.07039	10.9
94.07399	0.8
95.04956	3.3
95.08613	4.4
97.02891	4.8
97.06535	1.3
97.10182	1.1
98.21460	0.8
99.04459	1.3
99.08112	0.5
100.51930	0.4
101.02374	1.5
103.05460	0.6
105.07021	6.8
107.04960	2.5
107.08581	6.1
107.34071	0.5
108.08935	0.7
109.02879	0.9
109.06501	0.8
109.10176	2.9
111.04456	0.6
117.07035	1.9
119.08552	3.9
121.06509	1.1
121.10143	3.7
122.10499	0.8
123.08072	0.7
125.09632	1.0
127.03941	1.3
129.05586	0.5
129.07016	1.4
131.08595	1.8
133.10106	2.7
134.10406	0.6
135.08066	0.8
135.11690	3.2
136.12033	0.5
143.08618	1.2
145.10164	1.8
147.11664	2.8
149.09523	0.5
149.13287	1.4
157.10168	0.9
159.11696	1.1
161.13266	1.1
163.11185	1.0
171.11661	1.3
177.12706	0.5
181.12341	0.7
184.07272	0.7
185.04192	0.6
203.05286	0.5
207.13788	0.5
223.29919	0.5
227.12828	0.7
243.08383	3.1
271.38422	0.5
277.21570	2.8
278.21902	3.0
283.15399	1.8
284.15723	1.0
291.19583	1.3
292.20242	1.1
301.16583	2.8
302.16861	1.8
303.15668	0.6
333.20380	1.8
389.23093	0.6
465.20886	9.7
519.32977	0.7
520.33569	1.3
543.16016	0.7
546.35126	1.2
551.28204	4.4
554.54773	0.6
775.42255	100.0
776.43127	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	775.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.3
55.05288	0.7
55.05508	6.9
56.05022	1.6
57.03421	2.1
61.02911	3.0
67.01868	0.8
67.05501	13.8
68.99780	1.6
69.03427	10.2
69.07069	4.9
69.32153	7.7
70.06583	3.7
71.04983	3.0
73.02908	3.2
76.26436	0.7
79.05491	8.3
80.04999	1.5
80.05838	0.9
81.03413	18.8
81.06630	1.1
81.07058	10.6
82.06585	1.1
83.04977	2.5
83.08611	3.0
84.08117	0.8
84.11183	0.8
85.02901	14.6
85.06523	0.8
86.09705	1.4
87.00822	6.5
91.03942	2.1
91.05470	9.0
93.07037	8.5
94.07393	0.7
95.04955	4.1
95.08607	4.6
96.08938	0.9
97.02884	7.2
97.06540	1.6
97.10173	2.0
98.21493	1.4
99.04469	3.5
105.01877	2.9
105.07026	7.4
106.07326	1.0
107.04941	5.2
107.08573	4.7
109.02884	7.0
109.06514	1.4
109.10148	4.3
111.04424	1.0
111.08096	1.4
115.05522	0.9
117.01823	1.3
117.07032	1.8
119.08558	4.1
121.06542	1.2
121.10152	2.9
123.04436	1.0
123.11705	0.9
125.02351	1.9
127.03909	10.5
129.01772	0.8
129.07004	1.7
129.10161	0.7
131.08562	2.5
133.06477	0.8
133.10156	2.5
135.11737	1.5
137.09596	1.3
138.12823	1.0
141.05453	1.0
145.04951	2.2
145.06535	1.2
145.10109	1.3
147.04381	1.7
147.08060	0.8
147.11664	2.1
149.09602	2.6
149.13211	1.1
151.03873	1.6
153.05428	0.8
157.10214	1.0
159.02905	3.4
159.04396	0.7
163.11185	1.4
167.03398	30.1
171.04402	1.6
173.05984	1.9
175.04028	1.0
175.11182	0.8
179.03362	5.9
182.15427	2.9
183.04465	1.5
184.07365	1.8
184.13368	1.8
185.04492	1.6
185.05989	3.1
187.03960	4.2
193.12291	1.7
195.02867	1.1
197.06001	2.2
199.03922	3.1
199.07455	1.4
209.57314	0.8
210.14903	4.4
211.03885	3.0
211.15115	1.0
213.05460	2.2
225.05399	4.1
227.03452	1.6
229.04745	0.9
239.03447	2.4
241.04794	1.1
251.07024	1.0
253.04953	2.3
257.04636	1.2
267.06561	1.5
267.15945	4.9
268.16406	1.1
269.08200	1.2
269.17484	1.8
275.20099	1.4
279.06775	1.6
281.04654	0.9
282.05307	1.0
283.06158	1.8
284.06787	0.9
297.07635	2.4
305.07886	1.1
309.07574	1.2
310.04825	1.8
311.05603	1.9
312.06287	0.9
317.06754	2.8
323.09305	1.2
323.12863	1.2
324.06110	0.9
325.07077	11.6
327.05026	2.9
329.06635	1.6
333.07761	1.4
333.11398	1.2
334.08240	1.0
335.05472	1.1
337.07227	1.5
341.06625	5.2
349.07010	1.4
349.23721	1.6
350.23694	1.6
351.08755	4.2
353.06558	21.9
354.07101	2.0
355.08142	1.7
361.07095	1.5
363.08685	0.8
365.10013	1.2
367.08102	5.5
375.08658	0.8
379.08182	9.5
379.12848	1.1
380.08676	2.4
381.09756	1.3
391.08319	1.0
393.09668	1.4
405.08853	0.8
407.11240	0.9
435.18173	2.6
436.18768	0.8
461.29373	1.7
462.29266	1.6
463.17438	8.7
473.15836	9.2
478.31970	0.9
479.31674	1.2
491.16992	91.1
492.17340	5.5
509.18063	100.0
510.18259	6.4
527.19147	11.4
533.17963	1.0
541.35400	1.2
542.35809	1.5
550.37183	1.7
551.37268	1.2
576.38562	1.2
577.39209	2.6
641.37134	1.1
696.49347	0.8
757.44885	1.5
775.34210	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.4
55.05506	3.3
56.05039	0.9
56.96551	0.8
57.03435	1.9
59.13511	0.7
61.02923	3.4
65.03925	1.0
67.01855	0.9
67.05213	1.0
67.05509	10.0
68.99792	1.7
69.03120	0.9
69.03435	10.0
69.07072	1.9
70.06590	3.0
71.04987	3.0
71.59851	1.0
71.70936	0.9
73.02909	3.2
79.05492	5.3
81.03413	14.1
81.07052	6.1
83.04966	1.1
83.08599	2.1
84.08102	1.0
85.02902	16.1
86.09686	1.1
87.00835	5.3
87.04488	1.0
91.03969	2.0
91.05466	5.6
93.07040	3.8
95.04974	2.0
95.08614	2.4
97.02872	7.0
97.06545	1.3
97.10169	0.9
99.04446	4.7
105.01876	3.5
105.07051	4.4
107.04932	4.3
107.08596	2.8
109.02879	8.7
109.10141	3.0
110.07117	0.8
110.93459	0.7
111.04414	1.2
116.98638	0.8
117.01877	1.8
117.06986	1.2
119.08591	2.0
121.06465	1.1
121.10123	1.3
121.27641	0.7
123.04436	1.3
125.02362	2.6
125.09631	0.8
127.03907	9.7
131.08549	1.3
133.10132	2.0
135.11674	1.0
141.05424	1.6
145.04967	2.9
145.06413	1.6
147.04419	2.6
149.09573	1.1
151.03920	2.3
153.05511	1.7
155.04919	1.3
157.06538	0.9
159.02904	4.3
159.04269	1.1
159.11629	1.0
160.05203	1.0
161.06000	1.1
161.09604	0.7
163.03979	0.9
167.03401	32.8
169.06432	1.0
171.04401	2.1
172.05286	1.1
173.05962	1.3
179.03392	6.7
182.08566	0.8
183.04402	1.8
184.05199	1.0
185.04475	1.4
185.05989	3.2
187.03903	3.7
193.04935	0.7
193.12268	1.7
195.02916	1.1
197.06009	2.9
199.03909	3.4
199.07623	1.1
201.05482	1.0
203.03412	1.2
204.06580	0.9
205.04964	0.9
210.14899	1.3
211.03886	4.4
211.07368	0.9
213.05479	3.3
225.05508	4.2
225.98166	0.7
227.03409	2.9
227.07111	1.2
229.05037	1.0
237.05377	1.3
239.03407	2.6
239.07002	1.2
241.04982	1.0
249.09258	1.0
251.07021	1.8
253.04997	3.5
255.06607	1.2
257.04498	2.2
263.07031	0.9
267.06491	1.2
267.16064	1.6
269.08102	2.4
279.03778	1.0
279.06720	1.6
281.04437	1.2
283.06018	1.6
293.08093	0.8
295.13300	1.3
296.06857	0.8
297.07678	2.6
304.44522	0.7
305.08212	1.1
309.07617	1.6
310.04550	1.8
311.05676	2.4
312.06165	1.1
317.06900	1.0
323.09113	1.5
323.12860	1.1
325.07086	9.3
327.05099	2.2
329.06726	1.1
329.30338	0.7
333.07559	2.1
335.05389	1.0
337.07077	1.4
341.06522	5.5
351.04800	0.8
351.08618	2.7
353.06567	23.2
354.07260	1.7
355.08276	1.8
361.06955	1.3
362.07956	1.0
367.08051	5.9
374.15305	0.8
379.08087	9.4
380.08850	2.7
391.08151	1.7
393.09561	2.1
435.17786	3.1
445.16183	1.4
463.17490	8.2
473.15900	9.4
491.16998	100.0
492.17239	4.2
509.18069	99.8
510.18497	4.3
527.19232	11.3
775.36481	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.2
55.05503	18.5
57.03424	13.9
57.07074	3.0
61.02893	5.2
65.03933	4.7
67.05498	81.5
67.88072	2.3
69.03418	3.1
69.07059	22.5
70.65163	5.0
70.65555	5.3
71.04987	41.0
73.02893	2.9
74.85254	2.2
79.05489	51.3
79.12292	2.6
81.03417	6.0
81.07050	100.0
83.04991	6.1
83.08605	13.9
85.02908	3.4
85.06531	11.2
86.09656	2.8
87.04457	3.8
89.06048	3.7
91.05473	77.3
93.07034	60.4
95.04977	13.6
95.08595	32.1
97.02872	4.2
97.06544	6.4
97.10152	6.1
98.20771	3.4
103.05473	3.0
105.06308	4.0
105.07019	66.6
107.04928	4.4
107.08588	38.4
109.10149	17.1
111.08040	3.7
115.05506	2.7
117.07043	21.5
119.08572	45.5
121.06519	6.9
121.10107	22.9
123.08062	4.2
123.11723	16.2
125.09633	6.0
129.05499	3.3
129.07021	13.4
130.07832	4.0
131.08562	31.8
133.10115	51.5
135.11658	17.2
139.11118	2.7
142.07852	2.9
143.08546	11.2
145.10100	27.8
147.08069	2.5
147.11670	26.2
149.09651	4.7
149.13243	11.3
151.11171	10.7
153.12729	4.1
157.10110	14.5
159.08054	2.8
159.11687	23.5
161.12090	2.8
161.13289	13.5
163.11290	3.2
169.10098	8.2
171.11658	14.1
173.13271	11.0
175.14830	5.5
177.12708	4.0
183.11610	4.2
183.13870	4.4
184.07341	10.3
185.13272	11.5
187.13254	3.4
187.14859	5.6
197.13147	5.5
199.14874	5.9
201.14815	4.2
213.16287	3.0
241.19487	11.7
243.15987	6.4
256.96161	2.6
257.17377	6.1
259.20618	29.4
269.17545	5.9
270.30753	2.8
301.20065	25.1
303.23297	3.0
315.23248	5.0
322.43265	2.8
333.24222	37.2
409.30942	7.4
414.92490	2.7
435.32315	7.0
483.34784	5.2
501.35709	90.7
509.36105	7.0
527.37329	51.4
533.38275	8.7
545.38257	11.0
559.39917	26.7
588.41895	2.8
603.33563	3.7
773.60376	3.6
774.40521	6.7
775.39874	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.9
55.05261	1.7
55.05504	18.0
57.03433	19.9
57.07061	4.2
65.03919	3.9
65.51031	1.8
67.05497	58.8
69.03416	3.8
69.07058	16.0
71.04972	3.2
71.59815	1.6
79.05483	43.0
81.03411	85.0
81.07051	52.3
83.04967	4.9
83.08607	23.4
85.06541	2.6
87.04444	2.9
89.06032	8.2
91.05468	37.1
93.07034	39.8
94.62569	1.7
95.04963	30.2
95.08591	42.8
95.09163	3.5
97.02881	2.8
97.06528	5.4
97.10132	7.2
98.98212	1.4
102.49837	1.5
103.05480	2.5
105.07020	56.9
106.07343	4.3
107.04959	6.5
107.08589	23.4
109.06493	3.6
109.10146	16.2
111.08062	6.4
115.05405	1.8
117.07023	8.3
119.08575	23.4
121.06491	5.1
121.09409	1.9
121.10138	18.3
123.08053	4.5
123.11697	6.1
125.09603	5.5
129.06993	10.0
131.08560	21.4
133.06476	3.6
133.08565	3.4
133.10104	13.1
135.08115	1.7
135.11696	13.2
137.13235	1.8
142.07837	2.4
143.08517	1.9
145.10104	9.7
147.04480	1.4
147.07979	3.9
147.11662	13.0
149.09587	6.1
149.13222	5.6
151.68706	1.5
157.10098	8.5
157.12292	1.5
159.07983	1.6
159.11670	7.4
161.13237	5.9
163.11275	2.0
163.14767	3.5
165.12721	3.4
167.08574	1.7
169.47324	1.5
173.13263	5.7
175.11168	8.0
175.14845	3.2
185.13289	2.9
187.14818	2.3
189.11147	4.1
193.12236	23.4
205.12308	1.7
211.13257	1.8
225.30664	1.6
227.12747	7.2
243.21042	4.5
249.14871	2.3
257.18643	1.6
259.20505	2.3
261.22049	21.1
267.15881	100.0
279.23093	3.0
285.21857	1.8
299.23792	1.6
301.14471	2.3
301.25220	5.1
309.16901	2.9
317.24716	3.7
335.25763	79.0
335.29807	4.0
341.24744	1.7
403.24707	2.1
421.25626	2.1
435.32434	6.0
453.33539	10.8
471.34503	4.4
490.63989	2.0
501.35114	2.1
509.36160	2.0
527.37329	64.0
545.30377	2.8
545.38318	44.3
569.38159	2.5
756.37207	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	16.2
55.05509	48.1
56.96548	2.7
57.03435	25.4
57.07063	4.8
59.05017	2.4
60.08134	3.6
60.48953	2.4
61.02915	4.5
65.03948	4.4
67.05501	100.0
69.03419	14.8
69.07063	39.2
70.06572	2.5
70.33395	3.8
70.33807	7.0
71.04978	9.0
73.02911	4.7
73.06548	2.3
77.85589	2.7
79.05489	96.4
80.05814	3.5
81.03414	81.6
81.07053	94.6
82.07389	3.4
83.04977	25.6
83.08611	41.4
83.73299	2.4
85.02898	29.1
85.06532	6.2
86.09700	7.9
87.04455	2.8
91.05476	82.0
93.06463	5.2
93.07038	78.5
93.07621	4.5
94.07373	5.1
95.04962	51.8
95.08599	44.5
97.02876	9.8
97.06519	23.4
97.10164	14.6
99.04458	3.4
99.08097	4.5
103.05448	4.7
105.07026	74.7
106.07331	3.4
107.04956	31.5
107.08583	56.8
109.02874	2.3
109.06512	14.1
109.10138	18.8
111.04441	5.1
111.08060	13.5
113.06008	2.9
115.05477	3.6
117.07006	29.1
118.15257	2.1
119.08569	54.0
121.06497	7.9
121.10136	34.8
123.08042	7.6
123.11738	4.2
125.00042	2.6
125.09624	10.4
127.03922	4.8
128.06267	5.0
129.05495	4.5
129.06979	20.7
131.08562	43.2
133.06465	8.1
133.10132	36.6
134.10410	2.3
135.08040	9.2
135.11667	28.1
136.12024	5.0
137.09602	4.4
141.06981	3.7
142.07820	3.4
143.08507	6.0
145.06470	4.2
145.10121	24.4
147.08015	8.6
147.11667	30.5
149.09599	20.4
149.13275	6.9
151.11169	4.5
155.08556	3.1
157.10124	17.5
159.07951	2.1
159.11714	15.7
161.09615	3.1
161.13217	6.7
163.07434	2.7
163.11150	21.0
164.11537	2.9
165.12714	2.8
169.10129	3.8
171.11673	5.1
173.11670	2.3
173.13252	5.4
175.11143	16.6
177.12708	4.4
179.14265	3.8
181.12262	4.5
183.11676	3.6
184.07323	19.9
185.13287	3.4
187.14833	3.4
189.11168	3.0
193.12247	36.0
195.13792	2.9
197.13258	2.9
209.11827	3.7
211.13272	45.7
219.17418	2.6
227.12724	26.8
228.13109	5.1
229.14226	3.3
233.15466	2.3
237.92209	3.0
241.19484	3.2
247.08412	2.3
247.20663	2.7
255.15909	8.7
257.18973	9.4
259.20587	8.2
267.15945	34.1
269.17548	21.8
275.20016	37.1
283.15408	10.5
284.15802	5.5
285.16959	49.7
287.14984	2.5
291.19458	7.5
293.21030	2.7
301.16440	5.4
315.23508	2.5
331.22778	2.8
333.24139	6.6
349.23712	31.1
350.24078	4.4
365.23553	3.0
447.27383	5.4
455.26266	6.2
461.28812	10.3
465.28412	17.3
478.28622	6.0
479.23373	4.3
479.29941	71.3
541.35144	36.6
542.35834	3.2
559.36224	48.1
577.36493	9.5
597.49634	3.1
775.37653	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	773.5192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.4
55.05505	10.9
57.03431	4.4
57.07058	3.5
59.04975	0.9
61.02634	1.2
61.02919	13.2
65.03928	1.0
67.05497	20.5
69.03418	7.9
69.07056	10.8
69.27520	5.4
69.27944	2.8
69.91398	0.7
71.01324	1.1
71.04984	1.4
71.08619	2.9
73.02908	6.8
79.05485	13.7
81.03405	4.4
81.07047	19.7
83.04978	1.6
83.08619	5.0
83.77425	0.6
85.02895	11.0
87.04468	1.0
89.05998	2.9
91.03944	8.0
91.05467	13.3
93.07039	15.8
95.04954	2.6
95.08590	15.7
97.02887	11.2
97.06510	2.2
97.09608	0.7
97.10126	3.7
99.04460	1.0
99.08109	1.0
101.02356	1.6
101.84228	0.7
105.07021	14.3
107.04954	0.9
107.08605	9.0
109.02843	1.6
109.06525	1.3
109.10135	7.5
111.08097	1.2
117.07000	8.0
119.08568	10.8
121.10126	6.9
123.08093	0.9
123.11712	2.2
125.09592	1.1
127.03917	2.6
128.06248	1.1
129.07004	5.3
130.07773	0.9
131.08556	11.9
133.08601	1.7
133.10146	6.0
135.11708	2.5
137.09668	0.8
141.06990	2.8
142.07787	1.5
143.08557	10.8
145.10121	10.6
147.11647	4.7
154.07834	0.7
155.08549	8.3
156.09344	1.3
157.10103	9.2
159.11658	7.7
161.13258	2.9
163.14819	1.1
167.08623	1.0
169.10085	7.6
171.11673	7.5
173.13225	4.5
175.14854	2.0
179.08618	2.0
181.10138	2.6
183.11639	5.8
185.13214	5.0
187.14827	3.8
189.12880	1.0
193.10153	1.5
195.11642	3.8
197.13252	4.7
199.14835	4.3
201.16438	1.6
209.13298	3.3
211.14822	3.1
213.16405	2.2
215.14365	0.9
215.18031	1.6
221.13182	1.1
223.14883	2.2
225.16406	3.1
227.18024	1.5
229.19618	1.2
232.12485	0.9
235.14818	1.4
237.16463	1.3
239.17975	1.0
241.19504	1.5
243.20958	1.0
251.18071	1.3
253.19539	1.6
255.21107	1.0
257.18994	1.1
267.21097	0.9
275.20032	1.0
307.23898	0.9
311.23468	0.8
341.24716	0.8
353.28690	1.2
357.12741	1.0
381.31607	0.9
433.79526	0.8
501.41516	1.0
519.42126	5.6
527.37506	1.2
537.42914	3.3
573.87476	0.8
575.44263	1.3
593.45654	6.5
601.44666	0.9
609.44977	1.5
611.46631	100.0
612.47388	2.7
623.46753	1.2
740.20654	1.1
755.50543	1.9
773.52069	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	773.5194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	31.3
57.03428	12.6
57.07073	8.1
59.28889	4.5
61.02920	17.4
65.03945	4.7
66.46839	4.9
67.05504	75.5
67.63825	4.6
68.24383	4.2
69.03427	6.8
69.07073	28.3
69.33565	23.6
69.33990	22.2
71.04999	6.6
73.02908	6.2
79.05499	71.5
81.07058	93.3
81.25838	4.6
83.08611	13.5
85.02900	9.5
91.03943	5.2
91.05481	65.4
93.07046	83.0
95.04964	12.6
95.08607	56.7
97.02872	10.6
97.06543	8.1
98.20779	8.3
98.21430	9.3
100.09222	4.3
105.07037	58.9
107.08610	43.2
109.10150	25.5
117.07000	23.1
119.08580	48.1
121.10154	38.6
123.11728	11.1
129.06985	18.8
131.08577	38.4
133.10138	45.0
135.11685	22.8
143.08560	14.9
145.10120	36.7
147.11667	45.6
149.13264	14.1
155.08546	9.4
157.10109	11.9
159.11697	19.4
161.13246	28.2
163.11040	5.2
169.10080	10.4
171.11717	20.5
173.13271	17.9
175.14948	11.0
181.27385	4.5
183.11707	10.8
185.13232	13.8
187.14760	7.7
199.14844	6.8
211.14723	5.0
213.16524	5.6
225.16435	5.1
241.19473	25.0
243.20973	8.3
257.18988	8.3
259.20529	45.8
261.22061	11.0
264.62265	5.4
331.61526	5.0
333.24274	34.9
335.25803	76.8
495.29630	5.1
499.91864	5.4
518.27411	6.0
519.41376	6.3
593.45105	7.6
609.44684	6.6
611.46832	100.0
635.45770	4.7
656.02557	5.5
701.46893	5.6
733.98840	5.0
755.50476	8.5
756.33459	5.8
773.50568	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	773.2127
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01862	0.2
55.05511	0.4
57.03428	1.4
61.02921	0.9
64.51574	0.2
68.99789	0.5
69.03436	1.1
70.06577	0.7
71.04988	8.2
71.60097	0.3
72.56010	0.2
73.02905	0.5
75.04469	0.6
75.12477	0.2
76.02225	0.3
79.05470	0.3
81.03403	2.1
83.04973	0.6
83.08617	0.5
84.04498	1.7
85.02898	13.1
87.04458	0.4
91.05450	0.3
93.03400	0.2
95.04964	0.8
97.02876	1.5
99.04400	0.3
101.07135	0.2
105.07026	0.3
107.04962	1.2
109.02875	0.7
111.00793	1.0
111.04444	0.6
121.02851	0.7
123.04451	0.2
127.03888	1.1
129.05463	2.3
130.05000	2.0
137.02321	2.6
145.04918	0.6
147.04420	0.3
147.06508	0.5
147.07619	2.7
147.11693	0.2
149.02356	0.3
153.01816	2.3
157.10023	0.2
161.06020	0.3
162.02141	0.3
163.03856	0.5
163.06046	0.3
165.01820	1.7
179.04871	0.4
183.02878	0.8
193.12241	1.2
201.05457	1.0
213.05499	0.2
229.04956	2.5
247.06036	0.8
250.14301	0.3
257.04440	1.9
267.15903	0.6
274.04739	0.6
285.03934	1.4
285.16922	1.6
303.04965	100.0
304.05319	1.4
308.08917	0.7
315.04883	0.2
345.05936	0.5
369.06442	0.2
408.54865	0.2
417.38095	0.2
449.10657	0.2
456.22177	0.2
465.10263	22.5
466.10233	0.6
578.73663	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.7
55.05506	28.3
57.03434	15.2
57.07058	6.0
61.02918	15.3
65.03919	4.4
67.05500	76.7
69.03431	12.1
69.07063	27.2
69.84498	11.9
71.01348	2.0
71.04968	6.5
71.08627	2.9
73.02906	6.3
79.05486	61.0
81.03400	6.9
81.07053	73.3
83.04968	3.7
83.08615	10.8
85.02895	11.8
85.06521	4.2
91.03926	6.9
91.05474	55.8
93.07035	78.1
95.04967	11.0
95.08598	58.7
97.02880	10.3
97.06499	5.2
97.10149	6.4
97.78843	1.7
99.08080	2.8
103.03906	1.9
103.05441	2.0
105.04452	2.0
105.07023	55.2
107.05013	1.9
107.08588	36.9
109.02888	2.2
109.06500	6.3
109.10146	25.0
109.24940	2.0
111.08082	4.2
111.11659	2.3
115.05437	3.5
117.07019	25.0
119.08574	45.4
121.06467	3.3
121.10130	27.2
123.08116	3.0
123.11703	7.4
125.09628	3.6
127.03893	2.3
129.05469	2.2
129.06981	13.1
130.17064	1.9
131.08565	38.7
133.10120	39.5
135.07965	3.2
135.11693	22.3
141.06989	3.8
143.08537	15.5
145.10121	31.5
147.11668	30.6
149.09596	3.7
149.13229	11.2
149.14238	1.8
151.14786	2.3
155.08536	7.0
157.10130	15.1
159.11682	28.6
161.09578	2.7
161.13235	28.1
163.11122	2.6
163.14754	4.6
165.12730	2.0
167.08516	2.8
167.24649	1.9
169.10132	8.8
171.11687	18.0
172.08904	1.8
173.13242	15.8
174.26521	1.8
175.11183	2.7
175.14824	15.1
181.10081	3.1
183.11688	8.3
185.13193	15.9
187.11156	2.9
187.14799	7.5
189.16391	2.5
195.11749	4.6
197.13228	5.4
199.14774	7.8
201.12901	1.8
201.16393	3.2
209.13318	2.8
211.14929	2.8
213.16467	3.6
215.17865	3.7
217.19469	2.4
225.16324	3.2
229.19649	2.3
231.21053	4.7
239.17987	4.0
241.19559	19.9
243.20934	2.1
257.19003	8.2
259.20569	35.4
261.22113	10.3
275.19962	3.1
301.21484	3.4
303.23492	2.1
313.21677	2.3
315.23160	3.2
333.24155	28.5
335.25787	66.7
335.29837	3.1
336.26230	2.1
337.27222	3.1
351.25198	3.6
367.22565	5.0
385.23621	3.0
441.26917	2.7
447.28635	2.4
459.27451	2.7
511.35498	2.2
519.41687	4.1
529.39056	2.6
537.42737	2.3
593.46033	9.2
611.46649	100.0
701.47388	3.4
719.47888	4.3
755.50592	3.1
773.53809	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	772.5483
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	1.0
57.82614	0.8
60.08160	7.8
68.01223	0.9
70.90981	0.8
71.07386	4.1
71.58878	1.0
71.93375	0.7
81.07898	0.8
82.49004	0.8
86.09709	34.5
98.98483	4.8
104.10725	2.3
111.70672	0.8
125.00007	25.5
136.84625	0.8
177.72307	0.8
184.07343	100.0
219.68207	0.9
242.01660	0.8
457.15625	0.9
486.55673	0.9
754.53607	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	9.9
55.05506	48.9
57.03425	22.4
57.07077	7.1
61.02898	11.6
67.05206	7.4
67.05501	74.4
69.03422	11.8
69.07064	39.3
71.05004	13.4
79.05491	72.5
81.03410	28.8
81.07053	77.9
83.04981	14.8
83.08614	20.5
85.02881	19.1
86.09666	9.6
91.03939	6.3
91.05471	100.0
93.07037	89.6
94.23595	5.9
95.04958	26.6
95.08605	44.5
97.02880	18.4
97.06515	18.9
97.10164	8.9
99.00836	13.7
103.05453	8.8
105.07027	94.3
107.04931	29.7
107.08598	49.4
109.02892	10.3
109.06481	10.1
109.10155	29.1
111.08068	12.5
117.07037	18.3
119.08572	74.6
121.06503	16.7
121.10115	31.9
123.08096	7.2
125.09572	11.0
129.07004	15.1
131.08600	32.5
133.10109	78.1
135.08073	11.0
135.11674	21.2
137.24315	5.7
143.08556	10.7
145.10124	27.2
147.08076	7.2
147.11684	36.8
149.09584	6.2
149.13217	11.5
151.11209	14.6
157.10114	16.5
159.11707	25.2
161.09660	11.1
161.13239	19.8
163.11124	12.0
171.11723	11.2
173.13254	11.4
174.80260	5.7
175.14841	8.6
177.12737	6.8
179.10693	9.3
184.07352	16.1
185.13336	8.8
189.09064	11.0
203.06009	6.7
203.99300	6.6
211.13307	7.9
225.11177	15.6
226.12125	5.9
227.12830	8.1
231.21027	7.1
241.19531	31.9
259.20599	77.8
266.69907	6.0
267.15912	17.1
269.17252	6.3
273.18555	8.7
275.20169	14.5
283.15369	13.1
285.16846	13.0
291.19489	29.1
299.14877	72.0
315.23096	7.4
333.24286	59.3
349.23932	6.2
365.23199	18.2
465.29669	10.8
477.28159	10.9
539.33459	20.3
557.34845	50.1
574.34186	6.9
575.35645	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	772.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	8.4
55.05257	1.9
55.05506	20.0
57.03433	12.5
57.07077	3.3
61.02906	1.8
63.78802	1.4
63.84083	1.5
64.42916	1.5
65.03919	2.1
65.38436	1.3
67.05497	53.0
69.03432	4.1
69.07060	27.5
70.04063	2.9
71.04980	6.5
71.59549	1.4
71.60011	3.1
72.15153	1.4
73.02913	3.4
79.05486	56.7
81.03419	7.1
81.07051	59.4
83.04985	10.9
83.08602	13.3
85.02895	2.5
85.06538	3.3
87.04442	2.2
89.06013	2.9
91.05469	32.6
93.07034	66.4
93.22738	1.3
95.04951	16.4
95.08598	52.8
97.02872	5.9
97.06535	12.3
97.10181	3.9
99.04446	5.5
99.08096	2.9
103.05491	2.1
105.07021	31.0
106.07356	1.3
107.04937	14.4
107.08583	47.6
109.06506	7.1
109.10149	12.0
111.04478	2.6
111.08053	4.1
113.09640	1.7
115.05425	1.5
117.07011	22.5
118.99534	1.3
119.08572	22.4
121.06503	9.6
121.10133	23.3
123.08068	3.1
123.11730	2.2
125.05989	4.4
125.09618	2.1
127.03912	1.9
128.77939	1.2
129.07056	4.6
130.07755	3.7
131.08575	12.4
133.06311	1.4
133.10117	18.2
135.08101	7.5
135.11679	60.1
137.09637	1.7
139.07544	1.8
143.08549	4.9
145.10107	37.2
147.08012	1.5
147.11662	6.4
149.09598	7.7
149.13283	7.7
151.11147	1.6
157.10109	3.1
159.11679	9.3
161.13251	1.7
163.11168	72.1
171.11702	2.6
173.13255	3.3
177.12724	3.1
179.14326	1.7
181.12225	11.8
183.11668	2.4
184.07417	2.1
185.13275	2.1
188.88852	1.2
195.13835	2.8
197.13225	1.9
209.11644	3.2
227.12762	84.7
234.07988	1.6
239.17883	1.6
251.16483	1.5
253.14359	2.0
255.15981	7.5
257.18964	5.0
269.17441	27.7
275.20026	15.8
283.15359	61.8
291.19476	2.9
293.20956	1.7
331.22980	2.2
349.23691	20.9
367.24765	4.3
437.25055	1.6
463.26834	21.1
477.28436	100.0
555.89661	1.6
557.34723	24.6
575.35980	8.2
772.48822	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21806	0.8
55.01867	11.8
55.05254	1.7
55.05507	22.6
57.03430	10.0
57.07063	1.8
61.02912	1.6
65.03951	2.1
67.05499	49.2
69.03424	4.2
69.07062	24.1
69.31441	8.1
70.06571	0.8
71.01373	1.2
71.04977	4.8
73.02920	2.0
77.03925	1.0
79.05489	49.2
81.03408	6.8
81.07050	53.5
83.04975	7.9
83.08611	15.6
85.02900	4.4
85.06525	2.3
89.06040	1.6
91.05471	33.3
93.07035	65.8
95.04956	13.8
95.08598	52.8
97.02901	6.4
97.06522	13.3
97.10154	7.7
99.04446	5.3
99.08080	1.9
103.05473	2.2
105.04499	1.3
105.07024	29.7
107.04942	14.7
107.08585	49.5
109.06498	6.3
109.10144	8.2
111.04446	2.4
111.08067	2.2
113.05992	2.1
113.09639	1.7
115.05424	1.5
117.07008	21.8
117.07835	1.3
119.08566	22.6
119.69258	0.8
121.06497	10.1
121.10137	19.4
123.08051	3.4
123.11739	1.5
125.06006	2.8
125.09554	4.0
128.06184	1.0
129.07010	2.8
130.07773	3.8
131.08553	12.0
133.06458	1.9
133.08592	1.0
133.10124	13.1
135.08051	3.7
135.11679	61.4
137.06033	1.0
137.09624	2.7
139.07518	1.9
139.11081	1.1
141.06981	1.5
143.08531	5.1
145.04922	1.1
145.10112	40.9
147.08084	1.3
147.11688	6.0
149.09604	8.9
149.13214	4.9
151.11168	1.7
153.09055	1.0
153.12804	1.2
155.08559	2.1
157.10153	2.4
159.11691	8.0
161.09685	1.5
161.13248	2.4
163.11163	69.0
165.12762	1.0
169.10080	1.7
171.11682	2.2
173.09579	1.9
173.13280	3.7
175.11165	1.9
177.12788	2.5
179.14314	2.9
181.12231	9.4
184.07327	2.4
185.13303	0.9
187.11198	1.4
189.11206	3.0
195.13789	1.3
197.13232	1.6
198.32368	0.8
209.11710	2.0
213.14749	1.0
227.12758	100.0
229.14377	1.0
229.19524	1.9
239.17905	2.9
247.20633	2.1
255.15891	7.7
257.18988	10.6
267.15857	2.9
269.17441	19.6
275.20050	26.5
283.15366	59.8
285.16873	1.1
291.19604	1.7
293.21170	2.4
331.22617	4.2
333.23920	1.0
349.23688	36.5
367.24823	3.4
379.21396	1.8
413.21671	1.1
437.25443	2.2
453.24835	2.5
461.28848	1.7
463.26904	18.8
477.28427	62.1
478.28342	1.6
508.75018	1.0
517.31384	2.3
557.34656	45.1
575.35718	7.1
610.44342	1.0
621.32428	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.6
55.05503	4.4
56.05023	2.0
57.03412	3.3
58.99582	14.6
61.02914	2.4
67.05500	10.0
69.03439	2.2
70.06595	19.2
70.57149	4.5
71.74719	1.5
72.08157	4.2
76.02229	66.2
76.04014	3.5
76.64400	1.6
79.05508	7.5
81.03418	58.4
81.07053	6.4
83.04948	2.0
83.08623	13.2
84.04503	19.9
84.08130	7.0
85.02880	4.2
85.04028	3.7
86.09709	5.7
86.99046	4.0
91.05473	10.1
93.07038	5.2
95.04968	18.9
95.08620	3.2
97.02888	3.3
105.07037	6.3
106.04049	1.4
107.04956	8.6
107.08605	2.8
110.07140	2.5
111.08068	5.6
115.05458	1.7
116.01683	16.1
116.07069	1.7
117.07032	1.6
119.08586	6.5
120.08114	2.2
121.10165	3.4
129.07004	4.5
129.10252	2.6
130.04982	14.0
131.04506	1.9
131.08542	4.2
133.06491	5.4
133.10146	2.9
136.07556	3.5
142.03250	8.8
144.01141	10.3
147.11667	4.0
149.09663	3.3
157.10089	6.7
162.02206	30.3
162.03462	2.7
170.02753	2.7
175.11189	9.0
177.03304	8.4
179.04861	54.2
184.07368	6.6
187.05362	2.7
193.12233	44.7
193.13861	2.9
201.18898	1.7
211.13255	4.9
233.05928	17.2
245.05905	3.5
267.15948	19.8
285.16977	25.4
291.06311	2.0
308.09113	100.0
309.17166	1.8
385.95547	1.7
426.34634	1.6
463.21912	1.7
574.23822	3.0
592.24927	5.1
633.04688	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	2.1
55.05507	12.2
57.03435	5.8
57.07047	1.7
59.04963	0.9
61.02922	16.5
63.47765	0.6
65.03909	1.8
67.05499	22.0
69.03429	7.6
69.07066	11.7
70.03178	3.2
71.01337	1.3
71.04974	1.8
73.02905	6.8
76.07858	0.6
79.05491	16.4
81.03418	3.9
81.07051	22.7
83.04990	3.0
83.08614	5.1
85.02436	1.1
85.02902	13.5
85.06555	1.2
87.04415	0.8
90.04599	0.6
90.19136	0.6
91.03949	7.6
91.04966	1.0
91.05474	13.0
93.07037	17.3
95.04957	3.3
95.08602	18.4
96.20143	0.6
97.02883	11.3
97.06494	2.3
97.10153	2.9
97.32786	0.6
98.21470	1.1
99.04435	1.5
101.02359	2.8
105.00224	0.6
105.07027	14.7
107.04933	2.4
107.08594	10.8
109.02831	0.8
109.06487	1.9
109.10146	7.8
111.08086	0.7
115.03910	1.6
115.05428	1.3
117.07011	9.0
119.08577	12.8
121.10144	6.4
122.43556	0.6
123.08047	2.1
123.11692	1.9
125.09557	1.3
127.03886	2.8
128.06183	2.3
129.06990	10.7
130.07744	0.8
131.08560	12.7
133.10114	9.4
135.08035	1.2
135.11707	3.8
137.13370	0.7
141.06941	4.4
142.07747	2.4
143.08553	12.3
145.04945	0.9
145.06352	0.7
145.10118	11.7
147.11688	6.0
149.13199	1.5
153.06976	1.9
154.07758	1.1
155.08553	9.6
156.09361	1.3
157.10118	12.6
159.11682	10.3
161.13231	3.3
163.14803	0.8
165.06985	1.8
166.07817	1.2
167.08536	5.2
168.09329	1.8
169.10112	12.5
171.11667	11.6
173.13226	5.4
175.14818	2.0
179.08495	2.7
180.09305	1.1
181.10097	8.1
182.10916	1.6
183.11691	11.6
185.09676	0.8
185.13249	7.4
187.11142	0.8
187.14818	2.9
189.16263	0.8
193.10133	3.6
195.11691	8.6
196.12413	0.8
197.13231	8.7
198.13759	1.0
199.14857	4.0
201.16318	1.3
205.10095	1.0
207.11713	2.7
209.13255	6.7
211.14835	6.4
213.16417	3.0
215.17961	1.3
219.11609	1.3
221.13245	2.6
222.13666	0.8
223.14819	5.3
225.16388	5.0
225.81812	0.7
227.14333	0.7
227.17952	1.8
233.13216	0.7
235.14726	2.3
237.16382	3.4
239.18002	3.3
241.19688	1.2
247.14760	1.1
249.16389	1.4
251.17950	2.2
253.19618	1.5
263.17950	1.2
265.19556	1.3
267.21320	0.8
277.19455	0.8
279.21014	1.0
309.22116	0.9
313.21405	1.0
321.22168	1.0
323.23596	1.2
337.25400	1.0
349.25421	1.2
351.26761	1.9
353.24521	0.9
355.26004	1.0
363.26846	0.7
365.24667	1.1
365.28625	1.1
375.26602	0.7
379.26053	0.9
379.30225	1.1
433.30499	0.9
447.32513	1.3
459.31631	0.8
515.38684	1.0
517.40314	6.5
535.41510	3.5
539.37219	1.2
541.38983	1.3
573.42542	1.1
591.43903	6.5
607.43304	2.3
609.45087	100.0
610.45563	3.2
610.54169	0.7
621.45245	1.2
651.45618	1.9
681.45575	0.8
717.47314	1.2
735.48230	2.0
753.48572	2.0
764.27362	0.7
771.50012	21.1
771.63190	1.4
772.49921	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.6
55.05509	12.4
55.13865	0.8
56.95661	0.6
57.03433	5.4
57.07063	1.9
59.04997	0.7
61.02925	18.7
61.49736	0.7
64.96240	0.8
65.03929	2.1
67.05500	21.9
69.03418	9.9
69.07066	10.3
71.01336	0.9
71.04982	2.6
71.58972	1.4
73.02913	10.1
73.06549	2.3
74.74229	0.8
79.05489	17.7
81.03411	4.5
81.07054	20.8
83.04985	1.8
83.08611	4.9
85.02899	13.3
87.04465	14.8
89.06026	45.4
90.29691	0.7
91.03951	7.0
91.04932	0.9
91.05472	20.1
93.07040	17.6
95.04962	6.3
95.08600	19.3
97.02891	10.2
97.06506	1.4
97.10157	3.1
99.04443	1.5
99.08074	1.1
101.02367	1.8
103.05471	5.8
105.07025	96.6
106.07366	2.5
107.04958	2.1
107.07056	3.3
107.08587	11.0
109.02853	0.9
109.06493	1.4
109.10148	7.0
111.08091	1.5
117.07007	7.9
119.04940	1.6
119.08572	14.7
121.06500	21.0
121.10137	6.2
123.08054	1.0
123.11700	2.0
125.09660	1.1
127.03902	2.8
128.06213	3.7
129.06996	10.1
130.08629	1.8
131.07076	4.0
131.08559	17.3
133.08601	25.6
133.10094	9.8
135.08043	1.3
135.11697	4.3
137.13194	0.8
141.06985	4.5
142.07765	1.8
143.08560	12.1
144.09276	0.9
145.06471	1.6
145.10103	11.6
147.08058	4.3
147.11673	5.8
149.09647	2.2
149.13254	1.9
153.06960	1.8
154.07800	1.7
155.08539	10.9
156.09319	1.9
157.10103	12.8
159.11667	9.1
161.13274	1.8
163.14786	1.3
165.07014	3.0
165.09111	2.1
166.07791	3.1
167.08546	5.1
168.09300	1.8
169.10121	13.9
170.10905	1.0
171.11676	10.4
173.13239	4.8
175.09666	1.6
175.11154	1.6
175.14825	1.2
177.11235	6.0
177.16322	0.9
179.08539	3.1
180.09352	1.0
181.10115	6.1
182.10840	1.7
183.11688	10.5
185.11877	0.9
185.13280	6.0
187.14807	2.9
191.10643	1.2
193.10182	1.6
193.12288	1.2
195.11693	7.4
197.13229	7.9
199.14790	4.0
201.16319	1.4
205.10237	1.1
207.11708	3.5
209.13263	7.4
211.14798	5.2
213.16422	3.1
219.11600	1.1
221.13338	4.0
223.11145	1.1
223.14734	4.9
225.12680	6.0
225.16316	2.1
227.17920	2.3
233.13274	1.2
235.14809	2.6
237.16348	2.5
239.17996	2.6
241.19653	1.2
247.14816	1.0
249.16570	1.1
251.14337	1.8
251.17961	1.7
263.17822	1.0
265.19379	1.5
269.15341	8.5
269.22708	0.8
269.67996	0.8
275.20239	0.8
309.22263	1.3
319.24368	0.8
321.22031	1.2
323.23672	1.8
337.25098	1.0
349.24960	1.2
351.26868	1.6
365.28448	1.1
395.29584	1.1
395.35532	0.9
405.31323	1.1
433.29761	0.9
499.39069	1.2
501.35812	1.5
515.37433	1.5
517.40430	5.9
527.37048	1.1
535.41473	3.4
539.37384	1.7
573.42657	1.9
591.44067	5.2
607.43256	3.2
609.45099	100.0
610.45148	3.2
753.49200	2.4
770.89642	1.2
771.49994	16.5
771.62579	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.9
55.05507	10.9
57.03436	5.5
57.07047	2.3
59.04986	0.6
61.02922	15.7
62.25216	0.6
63.06231	0.6
65.03909	1.7
67.05500	22.7
69.03429	8.3
69.07066	9.2
70.01088	2.1
71.01343	1.0
71.04958	1.8
73.02555	0.7
73.02914	9.5
79.05065	1.0
79.05490	16.6
81.03404	3.6
81.06590	1.1
81.07053	19.5
83.04960	1.7
83.08621	4.9
85.02423	1.1
85.02899	13.8
87.04493	1.3
91.03957	7.0
91.05470	13.6
93.07041	17.5
95.04976	3.1
95.08601	15.5
97.02882	12.8
97.06507	2.4
97.10134	2.8
99.04435	0.7
99.08069	0.9
101.02341	2.2
105.07020	13.0
107.04935	0.9
107.08581	11.5
109.02846	1.3
109.06490	1.6
109.10146	7.1
111.08102	1.1
115.05479	1.4
117.06995	8.8
119.08571	13.3
121.10135	5.6
123.08020	1.3
123.11652	2.2
125.09595	1.1
127.03880	2.4
128.06186	2.4
129.07001	10.5
130.07750	0.8
131.08551	11.0
133.10110	8.1
135.08057	0.8
135.11713	3.4
137.09613	0.9
137.13281	1.0
141.06993	4.8
142.07733	2.0
143.08545	11.8
145.04947	0.8
145.10120	11.7
147.11681	5.8
149.13248	2.3
153.06984	1.5
154.07759	1.3
155.08548	10.4
156.09348	1.6
157.08926	0.9
157.10124	12.0
158.10754	0.6
159.11676	8.5
161.13257	2.3
165.06990	1.7
165.89478	0.6
167.08548	5.0
168.09317	2.3
169.10123	11.8
170.10912	1.6
171.11690	11.1
173.13242	5.7
175.14781	1.9
179.08549	2.4
180.09361	0.7
180.28893	0.7
181.10118	8.0
182.10852	1.9
183.11676	13.2
184.12488	0.8
185.09560	0.6
185.13246	7.2
187.14801	3.3
189.16382	1.4
193.10049	2.7
194.10997	0.7
195.11674	8.6
196.12314	0.9
197.13229	8.1
199.14781	5.1
201.16379	1.9
205.10130	1.1
207.11739	3.6
209.13242	6.5
211.14798	7.9
212.15517	0.8
213.16403	2.9
217.10071	0.7
219.11664	0.8
221.13193	3.4
223.14764	5.8
225.16273	3.7
227.18124	1.1
231.11667	0.7
233.13275	0.9
235.14804	2.4
237.16331	2.7
239.17961	1.9
241.19514	1.8
245.13429	0.7
247.14752	1.2
249.16304	1.4
251.17911	1.8
253.19563	1.3
261.16232	0.8
263.17938	0.8
265.19595	0.9
267.21075	1.0
271.20618	0.8
277.19415	0.8
279.21036	1.2
283.20615	0.8
291.21021	0.6
299.20471	0.6
305.22620	0.6
311.23615	0.8
318.28970	0.7
321.22092	1.2
323.23538	1.1
337.25299	1.4
339.23102	0.7
339.26978	1.0
341.24725	1.1
349.25226	1.2
351.26874	1.7
361.24802	0.7
363.27011	0.7
365.28500	1.2
379.26193	1.0
391.29935	0.8
403.29401	0.8
405.31473	0.9
409.31052	0.8
419.33844	0.7
433.30341	1.1
447.32550	1.2
459.32022	0.7
465.33307	0.7
499.39569	1.4
501.35541	1.1
513.35571	0.7
517.40491	7.4
525.35846	0.8
529.39417	0.6
535.41449	3.3
539.37347	1.6
540.37677	0.8
541.38983	1.4
553.40521	0.7
573.43390	0.7
591.44019	6.7
592.44733	0.7
607.43573	2.2
609.45068	100.0
610.45367	6.6
611.46570	0.8
621.44977	1.0
651.46252	1.0
735.48004	0.8
753.49359	1.8
771.50256	19.4
772.50458	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06580	0.6
67.01611	0.4
67.05500	1.4
69.03431	0.5
69.07063	0.9
70.06586	0.8
71.60262	0.7
72.08160	1.9
73.02890	0.4
78.08629	0.3
79.05495	1.5
80.67167	0.3
81.03413	0.6
81.07051	1.0
83.01088	2.0
88.07611	0.5
89.06029	1.3
91.05495	0.9
93.07047	1.2
95.04935	0.4
95.08612	1.3
100.07601	0.4
105.07059	1.4
107.08592	0.8
109.02853	0.3
111.04189	3.6
117.06995	0.4
119.08581	0.9
121.10133	0.7
125.05864	0.5
127.03671	2.8
131.08580	0.8
135.11705	0.3
137.78738	0.4
139.06145	0.4
139.07259	0.8
141.05252	0.9
145.10120	0.5
151.02203	0.4
155.06778	3.6
163.14763	0.4
169.08363	0.5
169.10059	0.4
171.06302	3.3
171.11690	0.4
173.04417	0.4
183.09993	1.3
183.11691	0.4
185.07954	0.9
188.06577	0.5
199.09361	4.0
215.08965	1.2
216.09727	0.3
218.07710	0.4
227.12564	0.8
229.10384	0.5
232.09225	0.6
242.14168	0.4
243.12010	3.0
246.10817	0.4
257.13696	0.9
257.19125	0.5
259.11609	1.0
271.15082	1.9
273.13171	0.4
275.20285	0.4
287.14615	2.1
301.16165	0.4
303.14233	0.8
310.34818	0.5
311.34906	0.5
315.17838	0.9
331.17270	2.3
335.25745	0.9
347.16656	0.8
375.19879	0.7
391.19492	1.1
419.22427	2.2
435.22144	1.6
463.25403	0.7
479.24594	0.8
507.27591	1.6
523.27429	1.5
545.38293	1.0
547.48486	0.4
551.30463	0.8
609.44989	1.6
645.34454	0.5
685.37524	4.6
753.48572	0.4
770.60168	1.8
771.48462	100.0
771.59918	7.3
772.49084	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	771.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.7
56.72300	1.1
57.07068	4.9
58.06598	3.2
67.05510	3.5
69.03422	2.5
69.07069	3.7
70.06587	11.7
71.08631	2.2
72.08154	2.7
73.02914	1.6
73.06571	2.3
79.05495	9.7
81.03414	1.8
81.07045	5.1
83.08648	1.3
84.08166	3.6
86.09702	5.8
87.04459	17.9
88.07629	1.5
89.06026	75.5
90.06396	1.0
91.05472	19.3
93.07038	11.6
95.04965	6.5
95.08630	4.4
97.10175	1.4
103.05447	10.3
104.10775	1.6
105.03443	1.3
105.07022	100.0
106.07372	2.1
107.04961	1.7
107.07105	2.9
107.08588	1.6
114.09193	3.9
117.07054	3.5
117.09177	1.9
117.71313	1.0
119.04950	4.5
119.08526	6.2
121.06493	59.6
121.10197	1.5
129.07040	3.6
130.08646	1.8
131.04961	1.2
131.07082	5.1
131.08522	13.0
133.06525	1.8
133.08595	40.4
133.10207	3.1
135.11748	1.6
145.06474	1.9
145.10136	1.4
147.08055	11.5
147.11766	1.5
149.09586	5.1
159.11720	1.7
163.07707	1.6
165.09187	3.2
175.09737	2.2
177.11198	10.3
184.07320	1.9
184.29279	1.3
193.12213	2.0
196.08870	1.1
209.11775	1.7
223.11298	2.2
225.12854	4.0
230.07239	1.2
251.14465	2.1
262.22363	1.2
268.29990	13.5
269.15335	12.0
269.17590	1.1
269.30338	7.4
275.20068	3.0
275.75250	1.2
294.31601	3.7
296.33292	2.9
312.32721	2.2
313.33035	1.8
356.35007	2.2
400.38181	2.2
415.20853	1.4
444.40689	3.3
445.41080	2.1
488.43225	3.1
489.43680	1.7
532.46210	2.0
533.45953	1.4
545.38068	2.8
576.48755	2.7
577.49042	1.8
609.45129	2.0
770.59845	26.1
771.60260	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.6
57.07058	4.1
58.06591	1.9
65.03932	1.2
67.05503	4.6
69.03413	1.3
69.07060	2.3
70.06586	7.3
70.34792	0.7
71.05006	0.8
71.08641	1.0
71.59955	0.8
72.08150	2.0
72.10413	0.8
73.02908	1.4
73.06555	3.1
77.03912	0.9
79.05482	9.4
81.03416	1.6
81.07047	3.9
83.04956	0.9
83.08603	1.0
84.08135	2.2
85.10220	0.8
86.09718	3.6
87.04465	17.0
88.07619	1.2
89.06026	71.7
91.03884	0.7
91.04954	1.5
91.05478	16.7
93.07031	10.0
95.04977	3.6
95.08620	3.2
97.02869	1.2
103.05460	10.9
104.10768	1.8
105.03408	1.6
105.07021	100.0
106.07391	1.0
107.04948	2.1
107.07066	2.5
107.08563	2.0
109.06522	0.9
109.10210	1.5
113.06074	1.0
114.08287	0.7
114.09190	2.7
117.07015	3.6
117.09087	1.8
119.04910	4.0
119.08564	7.1
121.06497	53.9
121.10160	2.3
129.06969	4.8
130.08667	1.8
131.07047	5.5
131.08546	11.4
133.06461	1.2
133.08592	41.0
133.10201	2.3
133.41574	0.7
135.08066	1.5
135.11732	0.9
143.08568	0.9
145.06487	2.0
145.10168	1.2
147.08040	10.3
147.11691	1.0
149.09599	4.9
157.10133	1.5
159.11681	1.2
163.11263	1.3
165.06996	1.0
165.09045	3.9
166.07794	1.1
173.09702	0.8
173.13295	1.1
175.09665	2.2
177.11229	8.7
179.08577	0.8
184.07419	2.3
191.10727	1.2
193.12292	2.1
197.09921	0.9
209.11752	1.7
223.11169	2.0
225.12711	4.3
251.14432	2.3
262.45505	0.7
268.29950	9.3
269.15298	10.0
269.27682	0.8
269.30353	3.7
294.31674	1.4
295.16995	1.2
296.33130	2.4
297.33368	0.9
312.32669	1.7
335.26019	1.4
356.34946	0.9
400.37811	1.2
401.38187	0.9
444.40817	1.1
445.40771	1.1
488.43167	1.8
489.43436	1.6
532.45630	1.3
533.46045	1.5
545.38177	2.1
609.45575	1.9
620.53937	0.8
770.59747	16.8
771.60242	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.8
55.05496	2.3
57.07049	0.7
59.04987	1.1
61.02913	2.8
63.36404	0.8
65.03934	1.3
67.05502	5.0
69.03415	1.9
69.07056	3.1
70.65904	1.8
71.04966	0.8
72.08115	0.7
73.02899	2.1
73.06548	1.8
79.05486	7.0
81.03429	0.8
81.07047	4.5
83.08601	1.2
85.02890	2.0
87.04468	15.6
89.06024	49.7
91.03949	1.4
91.05480	11.1
93.07041	6.8
95.04958	4.0
95.08595	4.1
97.02879	3.0
103.05465	5.3
105.07021	100.0
106.07382	0.7
107.04954	1.3
107.07055	2.7
107.08586	2.3
109.06465	0.9
109.10157	1.9
115.05462	0.8
117.07003	2.6
117.09121	1.5
119.04927	1.6
119.08572	4.5
121.06497	22.0
121.10120	1.7
123.08128	0.7
128.06242	0.8
129.06955	4.1
130.08630	1.7
131.07106	3.2
131.08554	8.9
133.08591	27.1
133.10158	2.4
135.11650	1.3
138.25960	0.6
141.06987	1.6
143.08591	1.7
145.06502	0.8
145.10083	3.1
147.08057	5.0
147.11694	1.2
149.09613	1.7
153.07054	0.7
155.08580	2.1
157.10115	2.6
159.11681	1.5
165.07004	2.5
165.09132	2.4
166.07768	3.3
167.08511	0.7
169.10143	3.2
171.11681	1.2
173.09578	0.6
173.13272	0.7
175.09641	2.1
175.11176	0.7
177.11221	7.6
179.08536	1.5
181.10085	1.4
183.11697	2.1
185.13306	1.1
191.10794	1.1
193.12273	1.1
195.11717	1.4
197.13164	1.5
199.14832	1.2
207.11711	1.1
209.13292	2.4
211.14847	1.1
219.11969	0.6
223.11180	1.2
225.12730	6.4
251.14450	1.2
267.17569	1.0
269.15341	8.7
297.18561	0.7
439.02664	0.6
517.40259	1.4
521.36530	0.6
591.44299	0.7
609.45111	19.1
610.45789	0.6
643.24481	0.7
770.59662	1.7
771.49878	2.6
771.60681	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.8
55.05496	2.3
57.07049	0.7
59.04987	1.1
61.02913	2.8
63.36404	0.8
65.03934	1.3
67.05502	5.0
69.03415	1.9
69.07056	3.1
70.65904	1.8
71.04966	0.8
72.08115	0.7
73.02899	2.1
73.06548	1.8
79.05486	7.0
81.03429	0.8
81.07047	4.5
83.08601	1.2
85.02890	2.0
87.04468	15.6
89.06024	49.7
91.03949	1.4
91.05480	11.1
93.07041	6.8
95.04958	4.0
95.08595	4.1
97.02879	3.0
103.05465	5.3
105.07021	100.0
106.07382	0.7
107.04954	1.3
107.07055	2.7
107.08586	2.3
109.06465	0.9
109.10157	1.9
115.05462	0.8
117.07003	2.6
117.09121	1.5
119.04927	1.6
119.08572	4.5
121.06497	22.0
121.10120	1.7
123.08128	0.7
128.06242	0.8
129.06955	4.1
130.08630	1.7
131.07106	3.2
131.08554	8.9
133.08591	27.1
133.10158	2.4
135.11650	1.3
138.25960	0.6
141.06987	1.6
143.08591	1.7
145.06502	0.8
145.10083	3.1
147.08057	5.0
147.11694	1.2
149.09613	1.7
153.07054	0.7
155.08580	2.1
157.10115	2.6
159.11681	1.5
165.07004	2.5
165.09132	2.4
166.07768	3.3
167.08511	0.7
169.10143	3.2
171.11681	1.2
173.09578	0.6
173.13272	0.7
175.09641	2.1
175.11176	0.7
177.11221	7.6
179.08536	1.5
181.10085	1.4
183.11697	2.1
185.13306	1.1
191.10794	1.1
193.12273	1.1
195.11717	1.4
197.13164	1.5
199.14832	1.2
207.11711	1.1
209.13292	2.4
211.14847	1.1
219.11969	0.6
223.11180	1.2
225.12730	6.4
251.14450	1.2
267.17569	1.0
269.15341	8.7
297.18561	0.7
439.02664	0.6
517.40259	1.4
521.36530	0.6
591.44299	0.7
609.45111	19.1
610.45789	0.6
643.24481	0.7
770.59662	1.7
771.49878	2.6
771.60681	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.5977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
55.05507	2.8
56.05026	0.5
57.03425	1.1
57.06818	0.4
57.07072	6.1
58.06594	4.3
58.75655	0.3
58.85468	0.3
61.02916	1.1
62.02383	0.3
65.03917	0.4
67.05497	4.8
68.05029	0.6
68.05839	0.5
69.03420	1.2
69.07069	2.2
69.35855	2.9
70.06586	23.0
71.04986	0.6
71.08619	2.8
72.08147	4.8
73.02913	0.9
73.06544	0.3
79.05482	3.7
80.05818	0.4
81.03413	2.7
81.07045	4.3
83.04963	0.7
83.08610	1.0
84.05272	0.3
84.08133	8.1
85.02899	1.0
85.10171	1.1
86.06090	0.6
86.09695	9.8
87.04463	0.9
88.07617	4.5
89.06023	9.0
90.12420	0.3
91.05471	3.6
92.05814	0.6
93.07034	3.7
94.07362	0.7
95.04968	1.1
95.08588	2.7
96.08166	0.4
96.08857	0.3
97.02889	0.8
97.06515	0.5
97.10159	0.8
98.21508	0.7
100.07618	0.5
102.09174	2.9
105.07024	4.0
106.07376	1.0
107.04935	0.6
107.08585	2.1
108.08905	0.3
109.06539	0.4
109.10159	1.1
112.07648	0.4
114.09155	9.4
117.07014	1.5
117.20022	0.3
119.08533	2.1
120.08895	0.5
121.06495	0.7
121.10149	0.9
123.11696	0.4
125.09634	0.4
127.03915	0.5
129.07005	0.9
131.08517	1.6
132.08948	0.5
132.10213	1.4
133.08611	1.0
133.10117	2.1
135.11716	0.7
140.10732	0.3
143.08568	1.2
145.06493	0.4
145.10130	1.4
146.11769	1.1
147.08049	0.6
147.11702	0.7
149.09718	0.3
155.08577	0.7
157.10138	0.9
159.11700	0.9
160.12177	0.3
161.13280	0.4
167.08551	0.5
169.10143	0.9
171.08231	0.4
171.11734	0.6
172.12135	0.3
173.04446	0.9
173.13297	0.4
176.12831	1.1
181.10139	0.9
183.11699	1.0
184.12048	0.5
190.14400	0.5
193.10168	0.6
193.12149	0.3
195.11751	0.6
197.13278	0.5
209.13173	0.4
220.15411	0.8
234.17056	0.5
257.19153	0.4
258.19318	0.3
264.18167	1.2
268.29990	3.4
275.20032	0.7
276.20627	0.5
278.19696	0.7
282.31619	0.5
294.31534	6.1
296.33087	6.8
296.36230	0.5
312.32578	10.1
335.25781	0.5
352.23380	0.3
356.35187	6.3
366.24875	0.4
400.37900	7.0
444.40466	7.5
464.50888	0.3
488.43066	11.5
489.43494	0.4
506.26682	0.4
532.45923	0.8
560.84448	0.3
573.36346	0.5
576.48303	8.6
608.43646	2.7
620.50903	3.2
634.47406	0.3
664.53613	1.3
708.55530	0.4
741.00043	0.3
746.32117	0.3
752.46277	0.5
752.58600	1.1
770.59821	100.0
771.47443	0.6
771.60126	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	770.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59385	1.5
55.01630	1.6
55.01867	11.0
55.05260	2.2
55.05508	29.5
57.03433	13.9
57.07059	3.1
59.04980	1.5
61.02901	1.4
65.03927	5.3
67.05499	77.8
68.32726	1.4
69.03409	7.3
69.07064	24.7
70.06584	2.0
71.04979	6.6
71.08604	1.5
71.35208	2.6
73.02865	1.6
77.03895	1.6
78.42246	1.5
79.05487	84.5
81.03407	16.7
81.07052	73.8
83.04972	17.3
83.08610	12.8
85.02898	4.7
85.06535	4.2
85.10131	1.5
87.04478	2.1
89.06024	2.9
91.05470	73.1
92.05775	1.8
93.07037	85.4
95.04967	29.0
95.08600	40.9
95.09216	1.6
97.02879	6.5
97.06527	18.6
97.10153	10.3
99.08090	3.4
103.05472	2.0
105.07023	62.0
107.04926	15.4
107.08585	42.3
109.02901	2.9
109.06500	10.8
109.10146	17.7
111.08055	4.5
115.05442	1.8
117.07004	18.7
119.08575	36.1
121.06497	7.7
121.10139	14.8
123.08055	7.0
123.11703	2.9
125.09604	9.5
127.03905	5.4
127.07607	2.2
127.75173	1.3
128.06218	2.9
129.05492	1.8
129.07007	18.1
131.08560	19.6
133.06493	3.0
133.10115	29.3
135.08060	5.1
135.11702	14.2
137.09583	2.0
141.06978	2.9
143.08565	12.8
145.10104	23.3
147.08044	4.9
147.11679	39.0
149.09613	13.2
149.13242	8.4
151.11188	3.2
155.08524	2.6
157.10114	4.7
159.11694	9.4
161.09637	8.1
161.13246	11.8
163.11163	13.1
165.12790	1.5
169.10149	4.3
171.11676	27.3
173.04501	1.8
173.09731	1.6
173.11827	1.5
173.13216	3.3
175.11263	1.8
177.12677	4.0
179.14241	2.4
181.10039	1.4
183.11652	2.6
184.07367	1.5
185.13304	3.3
187.11267	1.5
187.14896	1.8
189.11186	4.2
189.12753	14.0
195.13750	3.4
197.13290	2.6
199.14810	1.7
207.13776	22.7
207.76860	1.6
215.74886	1.5
225.14751	3.8
227.12775	13.1
229.14339	2.4
229.19443	2.4
239.17961	2.8
248.02164	1.6
253.14359	8.2
254.54536	1.4
255.15915	4.4
257.19009	10.6
269.17422	12.1
273.18582	1.9
275.20044	43.5
279.15707	1.6
281.17465	100.0
282.17838	1.8
283.15451	2.7
291.19461	3.7
293.21008	2.3
331.22632	3.2
337.00095	1.5
349.23639	23.9
349.27551	2.3
365.22626	1.6
372.16287	1.5
435.27444	9.0
440.26761	1.7
451.26901	9.2
459.30948	1.7
461.28946	20.8
475.30542	67.0
515.33258	3.4
527.36560	2.2
537.35724	2.4
555.36792	44.2
573.36865	5.3
608.32281	1.7
608.42993	1.8
770.58990	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	770.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	7.0
55.05508	21.7
57.03429	4.7
57.07072	2.1
59.05000	0.9
60.40723	0.7
65.03929	2.0
67.05503	33.9
68.13025	0.8
69.03423	8.7
69.07066	29.8
71.04993	4.6
71.59863	0.9
72.08127	0.8
73.02906	1.7
79.05488	40.6
81.00962	0.7
81.03413	5.9
81.07053	32.2
83.04973	7.4
83.08615	12.7
85.02894	2.8
85.06520	1.7
91.05474	23.9
93.07039	43.4
95.01330	1.1
95.04967	12.7
95.08603	37.9
97.02883	9.6
97.06518	6.3
97.10166	13.0
99.04449	5.4
105.04475	1.2
105.07025	20.0
107.04285	1.1
107.04958	14.6
107.08588	36.9
109.06535	4.6
109.10159	9.5
111.04428	2.4
111.08067	3.6
113.05991	1.6
115.05418	1.4
117.07022	13.5
119.04917	1.3
119.08578	19.2
119.09433	1.1
121.06504	7.3
121.10143	12.9
123.08061	3.2
125.05984	3.1
125.09626	10.1
129.06969	2.9
130.07784	1.8
131.08575	7.8
133.06453	2.7
133.10127	9.4
135.08089	4.3
135.11688	43.0
136.12088	0.9
137.09546	1.9
139.07558	1.7
141.06921	1.1
143.08554	4.6
145.06534	1.3
145.10117	32.7
145.11284	1.6
146.10469	0.9
147.08032	5.2
147.11667	5.8
149.09615	2.6
149.13275	1.9
151.11279	1.0
153.09102	1.6
153.12732	1.1
157.10114	1.9
159.08049	0.9
159.11642	2.1
161.09615	2.6
161.13243	1.2
163.11172	55.5
165.09142	1.0
169.10172	1.1
171.10243	1.5
171.11678	3.7
173.09598	1.9
173.13219	1.1
175.11174	1.5
177.12753	1.7
181.12192	8.0
185.13219	0.8
189.11206	5.7
189.12680	1.5
193.12193	1.3
197.13297	1.0
205.12204	1.7
207.13780	2.6
209.11673	0.9
223.13283	12.9
227.12769	83.6
229.20168	0.8
241.90062	0.8
245.18918	1.4
249.14799	2.4
257.18961	1.1
262.15662	1.1
267.15970	1.6
273.18481	13.5
275.20142	6.9
281.17523	7.2
283.15390	61.5
291.19534	74.6
292.19928	1.2
347.22101	3.2
349.23676	2.5
365.23209	57.0
451.26956	3.5
475.26602	1.2
493.27725	3.5
537.35455	1.1
555.36987	10.0
573.34186	100.0
574.34528	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	770.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	12.9
55.05266	2.1
55.05508	28.5
57.03435	12.5
61.02914	2.4
62.35360	1.6
65.03928	5.5
67.05501	81.8
67.05868	3.8
69.03406	4.8
69.06714	2.7
69.07063	33.6
71.04656	2.6
71.05002	4.7
73.02900	2.1
73.06521	2.6
77.03915	1.8
79.05488	92.0
81.03415	17.2
81.07050	81.6
83.04958	15.9
83.08617	15.4
85.02885	4.4
85.06528	5.0
86.67509	1.4
88.93409	1.7
91.05476	78.8
93.07039	100.0
95.04967	25.9
95.08602	41.3
97.02865	4.1
97.06528	19.6
97.10146	9.2
99.04453	3.1
99.08065	3.8
100.20834	1.7
105.07024	67.7
107.04950	16.6
107.08580	43.4
109.02903	3.3
109.06517	11.6
109.10155	14.6
111.08078	6.0
117.07014	18.2
119.08570	40.1
119.09430	2.0
121.06492	9.0
121.10114	13.2
123.08041	5.4
123.11684	2.4
125.09600	5.8
127.03931	2.4
127.07526	1.8
128.06223	4.8
129.06973	17.2
130.07764	2.3
131.08569	13.4
133.10126	27.7
135.08034	6.2
135.11650	11.5
137.09639	2.4
141.07019	1.7
142.07732	2.1
143.08531	14.2
145.10101	23.8
147.07970	4.8
147.11678	42.7
149.09604	12.2
149.13237	6.5
151.11237	3.0
155.08485	2.5
157.10109	4.1
159.11667	11.2
161.09593	7.4
161.13214	13.9
163.11151	14.0
169.10092	4.9
171.11668	30.4
173.04430	2.3
173.13268	5.8
175.11095	1.9
177.12657	3.0
179.14220	3.2
183.11765	2.7
187.11214	1.9
187.14825	2.0
189.11214	2.8
189.12691	12.1
195.13811	3.1
197.13286	2.7
207.13817	28.8
225.14941	2.2
227.12766	15.5
229.14226	1.9
229.19487	3.1
239.17926	3.8
247.20480	2.5
250.77243	1.7
253.14433	4.6
255.15977	3.6
257.19037	8.4
267.16071	2.6
269.17377	13.2
273.18558	1.6
275.20035	34.9
281.17456	80.0
291.19418	2.9
293.21173	2.8
331.22549	2.8
349.23663	22.4
367.24713	1.9
377.22934	2.2
435.27493	3.4
451.26752	4.9
459.30862	2.7
461.28995	23.3
471.00540	2.0
475.30554	86.3
515.33734	2.7
555.36829	46.4
573.37036	5.8
619.34760	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	769.4873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	6.3
55.05506	40.6
57.03428	11.6
57.07064	5.0
61.02919	14.9
65.03928	5.3
67.05497	68.8
69.03426	27.7
69.07065	28.0
69.29943	17.9
71.04980	9.5
73.02905	13.9
77.03931	2.4
79.05003	1.9
79.05088	1.1
79.05484	57.4
81.03410	41.8
81.07049	67.6
83.04983	13.0
83.08622	16.4
85.02896	22.7
85.06514	3.3
87.04451	3.8
89.06030	4.9
91.03958	6.2
91.05472	59.8
92.05804	2.1
93.07037	60.2
94.07386	1.8
95.04951	13.8
95.08596	49.2
97.02876	26.7
97.06513	6.0
97.10168	7.6
98.33064	1.6
99.04436	4.0
99.08072	2.5
101.02342	3.4
103.05458	3.5
105.04489	2.9
105.07026	50.2
107.04951	7.0
107.08584	29.1
109.02870	8.0
109.06509	7.8
109.10141	21.6
111.04441	4.8
111.08080	3.7
115.05444	5.6
117.07005	26.3
119.08571	40.7
121.06520	6.2
121.10125	22.7
123.08070	5.9
123.11709	6.6
125.09637	4.6
127.03904	11.9
128.06218	7.0
129.05470	5.3
129.07002	24.8
129.19240	1.8
130.07739	2.8
131.08565	34.2
133.06473	5.7
133.08614	2.2
133.10124	30.4
135.08049	7.3
135.11647	12.0
137.09621	5.0
139.11147	2.7
141.06935	9.8
142.07777	7.4
143.08543	23.5
145.05022	1.6
145.06471	6.0
145.10117	28.4
147.08043	5.4
147.11668	15.1
149.02289	2.8
149.05919	2.1
149.09607	6.1
149.13275	6.2
151.11163	3.4
152.06190	1.9
153.06985	3.3
154.07793	3.2
155.08549	24.4
156.09288	3.2
157.10124	26.4
159.08061	3.7
159.11688	21.7
161.09610	3.7
161.13210	9.0
163.11133	5.6
165.06976	5.1
165.12718	1.9
166.07751	3.8
167.08571	15.3
168.09332	2.4
169.10106	20.5
169.74098	1.9
171.08038	3.8
171.11671	17.2
173.04443	15.6
173.09573	3.9
173.13231	11.1
175.11275	3.2
175.14842	6.0
178.07784	2.9
179.08592	6.0
179.10611	2.6
180.09305	5.2
181.10107	17.5
182.10855	3.0
183.08138	2.4
183.11662	21.3
185.09564	4.0
185.13283	12.1
187.11234	4.5
187.14824	4.9
189.11246	1.9
191.08533	2.0
191.10631	1.8
192.09309	2.5
193.04930	2.3
193.10114	10.7
195.11659	17.2
196.12492	3.2
197.09552	2.3
197.13234	17.7
199.11153	2.2
199.14848	8.2
201.12740	4.2
201.16420	2.8
204.09404	2.3
205.10153	3.2
207.11673	9.7
209.09821	2.5
209.13210	12.2
211.11320	3.0
211.14861	10.0
213.12794	2.3
213.16402	5.4
217.10172	2.4
219.11720	5.4
221.13277	8.2
223.14743	12.9
225.16383	6.3
227.18030	2.6
227.20123	3.8
229.45293	1.8
233.13251	5.2
235.14836	5.7
237.16371	6.4
239.17975	4.0
241.19395	2.7
245.13297	2.3
247.14720	2.6
247.20537	2.2
249.16359	3.8
251.17918	4.0
253.19598	2.4
257.18979	7.6
259.20605	4.1
263.14056	1.9
263.17923	3.4
275.20193	14.0
279.21017	2.4
283.20343	2.0
295.20499	2.2
301.21475	3.8
309.22406	2.3
315.23300	2.8
331.22888	2.6
333.24551	2.6
337.21527	3.2
339.23145	2.9
349.23883	4.4
351.22986	4.2
353.25235	1.8
367.22672	3.8
385.23932	2.7
395.20270	2.1
442.19012	2.0
445.30362	2.0
513.35724	4.9
515.38507	6.7
527.38068	3.0
533.39777	6.3
537.35651	3.5
589.42181	6.8
603.66290	1.9
607.43542	100.0
608.43872	6.1
609.44678	2.6
625.44165	7.7
649.44727	2.1
715.45477	2.4
733.46368	3.7
751.47540	8.1
769.48944	42.1
770.59717	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	769.488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	6.6
55.05252	2.3
55.05507	30.7
57.03434	11.7
57.07079	6.3
59.05005	1.6
61.02919	16.7
65.03939	4.3
67.05500	54.5
69.03428	19.7
69.07064	22.2
69.27728	4.0
69.28154	11.0
71.01342	1.4
71.04980	7.9
73.02909	12.2
79.05484	42.7
81.03410	25.3
81.07051	55.4
83.04960	10.2
83.08617	13.0
85.02897	20.2
85.06525	3.2
87.04439	3.7
89.06016	4.2
91.03938	8.4
91.05471	45.7
93.07037	44.8
95.04969	11.4
95.08601	40.2
97.02877	18.7
97.06532	6.2
97.10155	7.0
98.21555	1.7
99.04426	6.3
99.08078	2.8
100.11983	1.2
101.02358	3.1
103.03934	1.9
105.07024	40.7
105.72832	1.1
106.57335	1.3
107.04942	5.7
107.08584	28.3
107.09292	2.1
109.02873	4.6
109.06503	6.2
109.10141	15.4
111.04417	2.9
111.08071	4.7
115.03924	1.7
115.05447	3.4
116.06295	1.7
117.06998	20.0
118.06515	2.8
119.08571	31.9
121.06513	3.7
121.10133	16.5
123.08033	3.8
123.11695	3.1
125.09639	3.1
127.03928	6.9
128.06219	6.7
129.05473	3.0
129.06998	14.9
131.08566	27.0
133.06462	3.1
133.08595	2.4
133.10127	23.2
135.08043	4.3
135.11700	9.4
137.09636	3.9
141.06963	8.7
142.07811	6.9
143.08560	22.5
144.09317	2.1
145.06483	3.5
145.10104	24.0
146.05989	3.3
147.08026	3.2
147.11676	9.2
149.09593	2.8
149.13228	4.6
151.11200	1.8
153.07004	2.9
154.07722	2.8
155.08534	17.3
156.09344	3.9
157.10123	22.9
159.07990	2.8
159.11671	17.0
161.09669	3.6
161.13213	4.0
163.11232	3.7
165.06978	4.0
165.09090	1.6
166.07806	2.7
167.08531	12.3
168.09294	2.9
169.10117	20.6
170.10574	1.8
171.08122	1.6
171.11667	18.1
172.23952	1.2
173.04489	6.2
173.09560	1.8
173.13257	10.9
175.11200	1.7
175.14825	2.3
178.07744	2.7
179.08559	6.4
180.09296	2.9
181.10121	15.7
182.10815	1.4
183.08142	2.5
183.11676	18.1
185.09720	2.1
185.13199	12.5
187.11140	1.2
187.14780	4.0
189.12700	2.2
189.16370	1.8
190.43085	1.4
191.08554	1.8
191.14091	1.5
192.09337	2.1
193.10133	8.2
194.10840	1.9
195.11670	20.5
196.12373	2.0
197.09595	2.3
197.13205	13.3
199.11230	1.9
199.14822	5.9
201.12711	1.7
201.16342	3.2
205.10114	3.8
205.12022	1.6
207.11656	9.6
209.13219	18.0
211.11403	1.9
211.14828	8.4
213.12766	2.0
213.16429	3.5
218.41365	1.4
219.11702	4.0
220.12495	2.0
221.13248	10.0
222.14006	1.7
223.11353	1.7
223.14824	10.4
225.16423	5.9
227.20012	13.5
230.15344	2.5
233.13184	4.7
235.14825	5.7
237.16331	5.9
239.17953	4.9
241.19531	1.6
245.13235	2.5
247.14880	1.9
249.16341	3.7
251.17992	4.2
255.17525	1.6
257.19177	2.9
259.20618	3.1
261.16254	1.8
263.17953	2.1
265.15775	1.7
265.19458	1.7
269.19064	2.5
273.18649	2.6
275.20145	10.7
277.19327	2.2
283.20575	1.7
289.19312	1.9
297.22025	1.6
307.20593	2.0
313.21585	2.4
319.20605	2.2
321.22122	2.2
325.21417	2.0
327.23218	2.0
351.23199	2.2
363.26724	2.1
365.24643	2.1
367.22571	2.6
369.24460	1.8
385.23758	1.7
403.29724	1.7
417.26740	1.5
445.31073	1.9
513.35175	2.4
515.38892	9.2
525.35754	2.3
527.37012	1.7
533.39520	4.7
537.35895	2.4
538.36523	1.9
539.36859	1.6
541.20398	1.9
551.40826	2.6
582.41321	4.5
589.42261	4.8
605.41675	3.1
607.43512	100.0
608.43921	6.7
609.45300	2.6
619.42932	1.9
625.44238	4.4
697.45099	2.2
715.45135	1.5
733.46198	4.4
751.47461	6.7
769.34906	2.5
769.48572	41.1
770.48376	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	767.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.4
56.45291	0.2
65.03934	0.3
67.05482	0.8
70.06586	2.7
70.19015	0.8
71.05002	0.3
72.08170	0.3
79.05486	0.5
81.03413	0.7
81.07042	0.7
84.04504	0.3
84.08128	0.5
85.02905	0.4
86.06030	0.3
86.09692	0.9
89.03912	0.8
91.05458	0.6
93.07047	0.6
94.06553	1.6
95.04935	0.4
97.02866	0.4
97.06532	0.2
98.03548	0.4
98.06030	0.3
106.06535	0.3
107.04948	2.6
108.08093	1.2
110.09689	0.4
116.04972	3.8
120.08112	1.5
122.06013	2.1
124.07609	0.5
134.05965	1.3
136.07568	8.2
138.09074	0.5
144.04445	10.7
146.06035	0.7
148.07532	0.4
150.05530	0.4
150.09146	0.3
152.07071	0.4
158.05521	0.4
160.03947	0.4
160.07536	0.2
160.93990	0.3
162.05496	5.3
164.07079	1.7
166.08585	1.5
172.03925	54.2
173.04285	1.1
174.05460	0.4
190.04999	1.1
191.05721	0.6
196.11263	0.4
197.08345	0.6
198.09116	0.9
199.09921	2.5
199.11671	0.3
199.11957	0.2
200.10744	0.7
204.06548	80.0
205.06876	1.5
211.10005	0.5
212.10686	5.3
213.11473	1.2
223.08563	0.3
225.10216	0.9
226.12294	2.3
235.08600	0.3
237.10243	0.6
239.09720	0.3
239.11815	0.9
249.10231	0.9
250.08589	0.4
250.10995	0.4
252.08847	0.5
253.09895	0.3
254.11783	2.1
257.10458	7.2
258.10657	0.3
263.07755	0.3
264.08969	0.3
265.09686	1.3
267.11243	1.0
271.12033	2.3
272.12793	100.0
273.13306	2.1
279.10962	0.3
281.09250	1.2
285.12259	0.5
292.08331	0.6
293.09140	0.7
294.09879	0.3
295.06473	0.3
295.10815	1.5
297.12357	0.4
309.12283	0.5
311.10394	0.5
313.11743	0.5
323.10226	8.0
324.11032	0.8
325.11789	1.8
327.13403	0.7
337.11957	0.7
341.11285	2.8
341.88022	0.3
355.12854	27.5
356.13177	0.6
357.16040	0.5
359.12244	0.5
373.13907	3.9
393.18076	3.3
395.19754	0.8
399.16409	0.4
496.33905	0.3
501.19827	0.5
519.21576	0.3
561.22675	1.0
563.05511	0.3
573.32019	0.3
577.82855	0.3
605.22290	1.2
611.24884	0.7
723.27881	0.8
767.27026	1.8
767.40009	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11570	0.1
58.92153	0.1
68.77494	0.1
70.06557	0.1
70.54576	0.2
70.54983	0.1
79.05455	0.1
81.07058	0.1
89.03902	0.1
94.06572	0.1
98.27885	0.1
106.06498	0.1
107.04929	0.9
107.07301	0.1
108.08134	0.4
110.06027	0.1
116.04945	0.3
120.08089	0.3
122.09637	0.1
124.07542	0.1
131.04884	0.1
132.08104	0.1
134.09634	0.1
136.07504	0.2
137.96065	0.1
144.04408	0.9
146.05946	0.2
150.09116	0.6
152.07028	0.2
162.05429	0.4
166.08632	0.7
169.06392	0.1
170.08095	0.1
172.03920	4.5
178.08597	0.1
184.07539	0.1
184.11099	0.1
190.04964	0.2
194.09521	0.1
195.08081	0.1
195.10353	0.1
196.07596	0.2
196.11183	0.4
197.08324	0.5
198.09125	1.3
199.09903	3.0
200.10669	0.8
204.06537	5.3
208.11217	0.1
210.09120	0.2
211.09909	0.7
212.10675	5.2
213.11441	1.6
213.13533	0.1
226.12244	2.5
239.09460	0.2
253.13229	0.1
254.11745	2.7
257.10437	8.0
258.10788	0.1
271.11987	0.8
272.12766	100.0
273.13110	1.8
279.11185	0.1
281.12900	0.2
286.10678	0.1
287.14072	0.1
291.11172	0.1
293.12848	0.1
299.13959	0.1
309.12314	0.3
319.10773	0.1
327.13467	0.1
337.11871	0.3
341.14966	0.8
362.24216	0.1
367.16324	0.1
409.17355	0.1
427.18518	1.2
429.20215	0.4
446.20242	0.1
448.22116	0.2
474.20230	0.3
506.22818	0.2
568.24493	0.2
580.23889	0.1
612.27533	0.2
613.25909	0.1
631.27399	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58393	0.3
54.17673	0.3
55.01838	0.4
55.05524	0.8
61.02913	0.5
65.03934	0.6
67.05502	0.8
69.03416	0.6
69.07061	0.6
69.37135	0.9
69.37550	2.0
69.61605	0.3
70.06589	3.6
72.08141	0.6
72.53320	0.2
73.02909	0.4
79.05499	1.1
79.58779	0.3
80.05029	0.5
81.03430	1.4
81.07072	1.4
82.06589	0.4
83.06055	0.4
83.08619	0.4
84.04483	0.3
84.08141	0.9
85.02901	1.2
86.09693	1.0
87.04475	0.5
89.03915	0.9
89.06026	1.2
91.05511	1.6
93.07051	1.2
94.06566	2.3
95.04955	0.8
95.07322	0.3
95.08660	0.4
96.08136	1.9
97.02872	0.6
97.06495	0.4
97.10182	0.3
98.20714	0.6
105.07028	0.7
107.04953	11.7
107.08595	0.5
108.05283	0.3
108.08115	2.2
109.02850	0.3
110.07137	0.5
110.09694	2.3
111.04469	0.6
111.47607	0.3
114.16386	0.3
116.04967	4.0
118.54197	0.3
120.04390	0.4
120.08107	2.6
121.10152	0.3
122.06028	2.2
122.09734	0.3
124.07570	3.6
127.03904	0.3
129.10231	0.7
131.08545	0.4
133.08614	0.6
133.10097	0.5
134.06001	1.5
136.07571	5.5
138.05515	0.4
138.09108	2.9
144.04445	9.9
145.05232	0.3
145.06525	0.3
146.06023	2.3
148.07562	1.0
148.75430	0.3
152.07051	4.7
154.08694	0.5
160.03818	0.4
162.05513	5.6
164.07051	0.6
166.08653	4.7
166.09966	0.6
168.06575	1.8
172.03926	57.7
173.04301	0.8
174.05461	0.6
180.06537	0.6
180.69426	0.3
182.08147	2.0
190.04985	4.9
192.06596	0.4
193.12160	0.5
194.08133	0.9
200.10722	0.5
204.06548	100.0
205.06870	1.1
223.12402	0.3
225.10249	0.6
227.11790	2.2
237.10269	0.5
239.11763	0.5
243.10928	0.4
249.10126	0.4
251.11739	0.7
253.09601	0.3
260.12772	0.7
263.11835	0.4
265.09824	0.4
266.10672	0.4
267.11279	0.7
269.12799	0.7
271.11795	0.9
272.12799	6.2
279.11227	1.0
280.17386	0.3
283.10690	0.4
285.12463	0.8
286.10751	4.5
287.11032	0.3
287.13919	4.7
288.12299	17.8
297.12350	1.9
307.10684	0.3
311.10199	0.4
323.10193	1.2
325.11823	11.2
329.14951	1.3
335.81424	0.3
337.11871	0.5
339.13300	1.2
341.11349	0.6
343.12888	4.5
353.11563	0.3
355.12775	1.7
357.14423	20.2
358.14850	0.5
373.13797	0.7
393.18076	8.5
428.16098	0.4
431.15863	1.0
448.18579	0.7
490.19437	0.8
496.44360	0.3
506.19247	1.7
538.21893	1.5
584.23926	8.7
611.24213	0.7
616.26648	0.6
629.25140	0.6
735.28052	0.9
749.40057	0.3
752.52649	0.3
766.91260	1.8
767.40234	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.328
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77965	1.0
55.01867	1.0
56.96542	1.5
61.02924	1.3
66.04720	1.0
67.05495	3.1
69.03414	1.5
69.07043	1.1
69.60141	3.5
69.60564	2.6
70.06583	4.2
71.04979	1.3
72.66050	0.8
79.05489	4.0
80.05017	1.1
81.03414	2.2
81.07063	4.6
83.04982	1.1
83.08613	1.4
85.02882	1.6
86.09674	1.2
89.06007	0.8
91.05455	2.7
93.07043	2.1
94.06569	2.9
95.04963	3.0
95.08607	1.9
97.02901	1.4
98.20809	1.3
105.07027	3.9
106.06523	1.6
107.04954	46.2
107.07331	7.5
107.08537	1.3
108.08115	5.4
109.02882	1.1
109.10142	1.3
120.08089	2.5
121.02851	1.4
121.08885	1.3
121.10182	1.1
122.06023	2.0
122.09671	16.5
124.07445	1.0
131.04842	0.8
131.08588	1.2
133.06474	1.0
133.10110	1.6
134.06007	1.9
134.24219	0.9
135.06750	2.5
135.95634	0.7
136.07562	2.2
137.04990	1.6
137.05974	16.8
138.09157	1.3
145.10121	0.9
148.07544	1.8
150.09134	51.5
152.07072	2.0
159.11736	0.8
160.07657	0.9
161.09659	1.1
166.08636	3.5
172.03947	3.7
183.23799	0.8
184.07449	1.2
188.07198	1.0
190.05028	0.9
204.04889	0.9
204.06538	5.3
212.10654	1.1
215.11806	3.0
237.10246	2.3
239.11761	2.4
243.11301	19.2
248.09564	1.1
249.10109	5.3
250.10901	4.1
251.11848	5.9
261.10217	1.5
263.11795	8.8
265.09723	2.1
265.13232	1.4
267.11334	2.1
277.09656	2.0
279.11267	7.1
280.12064	0.8
281.12772	1.1
283.10718	2.0
285.12268	3.7
286.14307	2.4
287.14694	2.2
289.09723	2.7
291.11258	7.0
292.11981	1.4
293.12692	2.3
295.10822	4.4
297.12338	2.0
303.13400	47.0
307.10565	5.3
309.12268	5.5
311.11459	1.3
313.13281	1.3
314.14111	1.3
315.14896	1.4
319.10745	2.3
321.12320	2.1
323.10468	1.2
325.13123	2.1
326.13873	1.5
327.11234	2.1
327.14807	2.2
328.11987	1.4
335.10416	2.4
336.11246	1.2
337.11823	3.6
339.11163	1.7
340.11914	5.4
341.12775	9.2
342.13419	4.7
343.14447	8.9
352.11868	2.6
353.12738	10.7
354.13660	9.0
355.14432	22.1
356.14899	1.5
357.15866	2.4
367.14658	4.4
368.15063	2.5
369.12292	3.2
369.15924	2.7
370.12933	1.1
381.12244	5.2
382.12808	2.5
383.13788	7.5
385.15381	4.0
395.13876	5.6
397.15466	1.5
399.13287	11.2
400.14255	4.7
401.14795	6.4
403.15857	1.4
407.11386	1.1
409.17575	46.3
413.14929	35.5
414.15295	2.6
415.16443	6.7
423.13605	1.7
427.18729	4.5
429.14417	10.0
441.14474	18.5
443.15790	3.7
446.20877	1.6
459.15497	3.8
461.17130	21.2
472.18811	1.1
473.16815	6.0
474.16638	1.1
474.20502	1.2
490.19342	4.4
492.17493	1.9
504.20926	2.4
536.20258	1.0
538.20239	1.2
550.23340	4.6
552.24615	6.3
578.22760	12.3
580.20435	1.5
583.25360	1.1
584.27368	3.5
596.23944	9.9
598.21490	3.4
610.25452	100.0
611.25208	8.8
628.26636	14.9
629.25970	5.0
630.24774	1.0
731.30841	1.1
767.43756	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53703	0.8
55.05504	1.8
56.08434	0.8
57.03421	1.1
60.86926	0.8
65.03952	1.3
67.05489	3.9
67.45156	0.8
69.07048	1.0
69.52661	7.9
70.06569	2.4
73.02913	1.3
79.05477	3.9
81.03394	1.7
81.07037	2.6
82.64713	0.9
84.08158	1.0
85.02878	2.6
86.09675	1.2
89.06030	1.5
89.54835	0.9
91.05469	2.5
91.76160	0.9
92.04987	1.9
93.05744	0.9
93.07027	4.1
94.06575	4.4
95.04949	2.8
95.07320	2.9
95.08602	1.5
96.08129	7.7
97.02886	1.5
106.06540	14.4
107.04944	13.4
107.07327	2.0
107.08557	0.9
108.04454	2.3
108.08102	11.2
110.09668	12.6
116.98603	0.9
118.02892	2.0
118.06545	1.0
119.08634	1.7
120.04458	9.7
120.08070	8.3
122.06011	3.9
124.07552	2.1
127.03885	1.0
128.06050	0.9
130.75693	1.0
132.08109	1.5
136.07570	14.8
138.05482	4.0
138.09134	15.9
148.03880	2.0
148.07561	78.6
149.08351	2.5
150.05457	3.3
150.09120	2.6
152.07037	1.4
154.08609	3.3
162.05487	12.3
166.08626	100.0
174.09143	9.9
178.04980	44.1
182.08205	2.8
188.03415	36.8
188.05122	1.8
192.06610	1.4
194.08162	2.2
196.06055	21.0
197.10818	1.6
198.11578	1.2
199.12282	1.0
206.04489	4.0
209.10698	1.3
211.12363	1.5
212.10742	2.3
213.10088	2.2
224.09236	1.2
225.10295	4.8
226.12367	1.0
227.11693	5.5
229.13237	5.2
238.10992	1.6
239.08078	5.5
239.11813	1.9
241.09674	7.7
245.12863	1.3
249.10222	1.3
251.08182	2.6
251.11784	1.9
253.09686	11.4
255.11281	9.5
257.10553	1.3
265.09677	11.5
266.10333	4.7
267.11270	9.3
269.09232	2.1
269.12808	2.7
271.11435	1.9
271.14386	58.5
272.12762	14.7
273.12262	6.1
279.07724	1.6
279.11288	2.9
281.09274	2.1
282.09964	1.0
283.10739	5.4
285.12326	15.8
289.15436	22.8
293.09152	9.8
295.10757	7.7
297.12335	6.2
299.10239	4.3
299.39993	1.0
303.13525	2.8
307.10611	2.4
309.12128	1.4
311.10208	5.3
312.10840	1.3
313.11786	18.8
313.15338	1.5
315.13373	20.8
317.11313	1.6
321.08643	1.1
323.10101	2.4
329.14984	3.4
331.12814	21.2
331.16769	1.3
336.52686	1.1
339.09741	1.0
341.11301	8.7
344.13724	1.7
347.16043	10.6
351.22043	2.7
353.11304	1.7
358.15222	2.2
359.12366	2.0
360.16898	1.2
373.13794	5.6
374.15076	1.5
376.16391	2.1
378.18164	2.5
381.11115	1.5
386.14752	2.2
388.16409	2.0
390.18146	1.3
391.14484	1.2
400.16559	1.2
404.15955	6.4
406.17554	10.2
418.17789	4.4
420.19086	3.3
421.17731	1.5
429.16495	1.0
436.18604	2.1
446.17050	8.3
447.17871	6.5
448.18719	13.0
449.18808	1.1
462.20062	3.2
463.21100	1.0
464.18066	14.6
465.18823	2.3
466.19635	3.8
474.17145	1.1
476.17761	1.7
478.19598	3.2
492.17343	1.0
506.19098	6.7
524.20184	1.7
538.21887	6.3
569.23883	5.0
585.26709	3.2
587.24872	15.8
611.24994	12.9
629.26105	30.9
630.24512	11.3
643.27240	1.5
659.93982	1.1
661.28339	2.3
663.15753	1.0
723.35449	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	767.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
55.05499	0.6
56.96552	0.6
57.03417	0.4
65.03924	1.8
67.05499	1.6
69.03406	0.6
69.07069	0.8
69.97292	2.3
70.06570	0.5
74.54329	0.4
75.87183	0.4
79.05492	3.0
80.05018	0.5
81.03400	1.8
81.05800	0.5
81.07053	1.6
82.06579	0.5
85.02871	1.1
86.09705	0.7
91.05480	1.8
92.05000	1.7
93.05804	0.4
93.07036	3.0
94.06568	2.8
95.04965	2.5
95.07350	2.0
95.08596	1.1
96.08120	6.1
97.02895	0.7
97.06515	1.0
103.05415	0.6
105.07021	0.8
106.06544	1.4
107.04948	38.8
107.08584	0.7
108.04475	1.5
108.08115	9.2
108.08858	0.7
109.06484	0.5
109.08875	0.5
109.10173	0.4
110.09671	9.5
111.07983	0.4
118.02917	0.5
118.06563	0.7
119.08556	0.6
120.04455	13.3
120.08099	7.8
121.06474	0.7
121.90578	0.4
122.06027	1.3
124.07606	1.8
128.73761	0.4
132.08081	0.6
134.06018	1.1
136.07568	9.7
138.05518	2.6
138.09131	14.5
146.06000	0.7
148.03935	1.9
148.07561	11.8
150.05522	0.8
152.07001	0.7
154.08607	1.4
157.10228	0.4
162.05544	1.2
162.09178	1.3
164.03447	1.2
164.07030	0.9
166.04979	1.4
166.08632	34.2
167.09039	0.4
174.05545	0.7
174.09120	1.2
176.07108	0.5
178.04979	12.5
178.06470	0.7
179.90443	0.3
182.04416	0.6
184.07501	0.5
184.09927	0.6
188.03416	5.5
192.06635	0.7
194.08148	0.8
196.06033	6.2
196.07771	0.5
197.08313	1.1
198.09169	1.1
198.11566	0.5
205.37547	0.4
206.04443	0.7
206.08122	1.1
210.09282	0.7
211.08525	0.6
212.10945	2.4
213.10260	1.6
214.10667	0.5
214.12457	0.6
223.08578	0.4
224.09158	2.6
225.08029	0.8
225.10167	4.1
226.08168	0.4
227.11766	3.8
229.13506	0.8
235.12318	0.4
237.10277	1.3
238.08728	0.5
238.10986	0.9
239.08170	1.1
239.11800	1.4
240.10216	3.8
241.09660	3.8
245.12907	1.6
247.08578	0.4
248.09589	0.4
249.10271	1.7
251.08107	1.5
251.11954	0.5
252.08926	0.9
253.09729	5.6
254.11894	1.0
255.11267	3.8
257.09229	0.6
258.11191	0.6
263.11774	0.5
264.09116	0.6
265.09680	8.3
266.08087	0.5
266.10458	2.3
267.08313	0.5
267.11285	6.4
269.09253	5.1
269.12460	0.8
269.17398	0.4
270.11349	0.4
271.10901	2.4
271.14447	8.4
271.17184	0.5
272.12830	5.2
273.12335	3.9
277.09717	2.5
279.07693	5.1
279.11288	4.0
281.09088	2.1
282.10208	0.7
283.10773	10.7
284.11694	0.7
285.12393	3.9
287.14148	0.5
289.15277	3.3
293.09177	5.4
294.10202	0.5
295.10767	8.6
297.08978	0.5
297.12238	0.7
298.10684	1.1
299.10260	3.1
303.13684	1.0
305.09369	0.7
307.10715	3.5
311.10214	8.5
311.13474	0.6
312.11160	0.5
313.11798	5.0
315.13574	2.3
315.75281	0.4
317.11606	1.4
321.08710	1.7
323.10281	1.3
327.09949	0.7
329.12570	0.7
330.13312	1.7
331.12808	4.2
339.09680	6.5
339.13348	0.7
341.11600	1.6
343.14670	0.5
345.12039	0.7
347.16010	1.8
351.09756	4.8
353.11899	0.5
355.14154	0.6
357.12357	2.1
358.15836	0.5
359.13083	1.2
361.15518	2.1
369.10754	0.6
371.12323	4.3
373.14139	1.0
376.16641	0.9
378.17978	0.7
383.12216	0.5
385.11856	1.2
386.15192	0.7
389.14813	2.0
390.18793	0.4
398.69919	0.4
400.16727	0.6
402.14084	0.5
402.18661	0.5
404.16083	2.1
405.14352	0.9
406.17633	2.0
414.14612	0.7
417.14395	2.7
418.17703	3.8
420.19107	1.4
428.16183	0.5
430.17377	0.8
432.14996	3.0
436.18671	4.3
438.20038	0.6
446.17078	3.7
447.17886	0.5
448.18622	7.1
458.17276	1.4
460.18301	0.6
464.18121	15.7
466.19714	0.7
474.16772	2.1
476.18024	1.0
478.20129	0.9
489.18402	0.6
492.17557	11.2
496.20651	0.5
504.17542	2.9
506.19345	2.9
512.21454	0.5
519.16583	0.5
524.12274	0.8
524.20276	15.9
536.20184	4.5
536.60504	0.5
538.21521	2.0
552.21649	0.7
554.22601	1.0
569.23779	0.8
570.22290	3.5
585.26587	0.6
587.24890	2.1
598.21820	3.1
602.24866	1.0
611.24542	2.2
629.26062	5.9
630.24414	100.0
631.24518	2.0
639.78076	0.5
661.28394	0.4
719.04443	0.5
767.39575	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
55.93513	1.2
56.94299	1.4
56.96537	0.2
65.03931	1.2
68.70100	0.1
69.03425	1.7
70.06590	1.2
70.95862	1.3
71.60141	0.3
71.92999	0.7
72.08170	0.2
72.35423	0.2
72.93779	5.9
73.02905	0.2
73.94561	0.3
74.95351	0.4
81.03419	1.7
84.04504	0.2
84.08150	0.5
85.02905	1.1
86.09695	0.4
88.96898	0.7
89.03876	0.2
90.94825	5.4
91.05476	52.9
92.05813	0.8
97.02872	0.4
98.97573	0.4
102.94850	0.2
103.05479	0.2
104.05334	0.4
105.06989	0.2
107.04970	1.2
107.95069	0.2
108.95856	2.2
109.02876	0.9
109.16517	0.2
113.94070	0.3
114.94130	0.2
114.94876	0.5
116.96352	0.6
116.98645	0.4
117.07006	0.5
118.94285	0.6
122.97373	0.2
125.96082	0.3
126.94785	0.3
126.98409	0.2
127.03973	0.3
128.96347	1.9
129.06984	0.4
130.97910	1.2
131.95087	0.5
131.96133	0.3
132.95831	6.6
134.97389	0.8
134.99579	0.2
136.07556	0.3
136.95325	1.1
140.96336	0.9
142.97874	0.3
144.95827	6.2
146.97400	1.5
148.98950	2.7
149.00290	0.4
149.96075	0.6
150.96892	4.7
150.98187	0.2
152.96339	0.8
155.97404	0.4
156.95815	1.4
158.97391	12.6
160.95290	0.5
160.98901	0.3
161.96159	0.3
162.96895	6.6
162.98306	0.4
164.99985	1.6
166.97905	0.6
167.97453	0.2
168.95824	3.6
169.96596	0.6
170.97417	1.8
172.98895	0.2
173.96100	0.6
174.96893	6.5
174.98434	0.4
175.97601	0.3
176.98473	7.4
176.99977	1.0
178.96371	0.4
178.97868	0.3
180.99475	1.5
181.98969	0.6
182.97462	0.2
184.95332	0.5
184.99028	0.3
186.96887	7.0
187.97562	0.5
188.98468	1.6
190.04962	0.3
190.96361	0.5
191.01511	0.5
192.97888	1.0
192.99474	4.4
195.00992	1.8
196.98900	0.5
197.96024	0.4
198.96883	3.3
199.00505	0.3
200.98468	2.2
202.96400	0.4
203.01512	0.3
204.97914	3.2
204.99670	0.4
206.99408	0.3
207.01050	2.3
209.02640	0.2
209.98376	0.3
211.00430	0.4
212.98477	0.3
215.96989	0.2
216.97928	7.4
218.95718	0.2
218.99419	0.6
219.01222	1.3
221.02570	0.6
223.00511	5.0
223.02693	0.3
231.01054	0.3
232.97459	2.0
233.02641	0.4
233.99309	0.8
234.98953	25.3
235.99176	0.2
237.02409	0.5
239.99411	0.4
240.97960	0.4
241.01593	2.2
247.00496	0.6
249.02138	1.5
252.00076	0.2
252.99976	3.6
253.02280	0.3
258.00620	1.5
258.98572	0.4
259.00500	1.1
261.02203	0.2
265.01572	4.6
275.99435	0.2
276.99515	1.4
278.00272	0.2
279.01700	0.3
283.02533	0.3
289.01376	0.2
290.99493	0.5
300.56580	0.2
302.97992	0.5
307.02603	2.7
321.00021	0.2
323.04172	0.3
324.03955	0.9
325.03668	100.0
326.03909	1.2
327.07547	0.8
342.05981	0.3
343.04816	1.6
348.05356	1.9
351.01459	0.6
366.06320	3.9
367.04727	16.4
369.08481	0.5
385.06003	0.3
393.02426	0.4
408.07373	0.9
411.03735	14.0
429.04779	0.9
452.05984	0.4
453.04578	0.3
469.07599	0.4
501.08405	0.3
531.11932	0.2
555.07690	0.3
595.15204	0.3
758.78857	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	0.8
58.06595	0.9
62.60539	0.4
65.99182	0.4
68.05019	2.4
69.03440	0.4
69.07062	0.7
69.78085	2.0
69.78502	0.8
70.06588	56.5
72.08150	8.8
73.02914	1.5
73.06558	0.6
75.30619	0.5
77.84789	0.4
84.04519	0.6
84.08138	6.7
85.02917	0.6
86.06094	0.6
86.09714	2.2
87.04469	0.9
88.07623	2.6
89.06026	10.5
96.08121	3.0
98.09692	1.2
99.97417	0.4
100.07638	0.4
107.04971	1.0
112.07617	0.9
114.09163	47.7
116.10748	0.7
120.08119	0.8
132.10197	1.4
133.08656	1.0
158.11786	2.1
176.12807	3.1
202.14441	0.9
220.15431	4.2
246.17093	1.0
264.18054	3.2
266.96640	0.4
268.86743	0.4
290.19556	0.6
308.20694	3.1
352.23312	2.5
396.25821	2.8
440.28436	2.0
484.31259	1.3
528.34174	1.6
572.36646	1.1
577.22845	0.6
708.89752	0.5
766.47882	100.0
767.48114	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	766.53
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.7
57.07069	20.5
59.05008	0.8
59.64296	0.5
67.05484	1.3
69.03433	0.6
69.07063	2.8
69.74279	3.7
71.05013	0.6
71.08627	36.1
73.02894	1.4
73.06551	3.5
79.05475	1.3
81.03395	0.9
81.07040	0.6
83.08612	0.7
85.10177	20.1
86.10497	0.6
87.03918	0.9
87.04461	27.3
89.06023	100.0
91.05470	11.9
91.07618	0.7
93.07024	4.6
95.04976	2.4
95.08630	0.9
103.05482	2.2
105.07033	4.1
107.04939	2.9
107.07041	3.1
107.08585	3.4
113.06013	0.8
114.32086	0.5
115.05426	0.6
117.07028	1.7
117.09126	2.0
118.07775	0.7
119.04949	2.2
119.08566	4.7
121.06499	19.0
121.10142	1.3
123.08083	1.0
124.47528	0.7
127.14800	2.0
129.07004	1.0
130.08655	1.7
131.06142	0.8
131.07042	10.3
131.08614	1.7
133.08592	63.2
135.08061	4.9
135.10214	0.7
135.11702	1.8
136.05197	1.0
145.10173	1.1
147.08041	8.7
149.09592	6.3
150.06821	2.8
159.10225	0.5
159.11658	1.3
161.09631	0.7
163.11186	4.2
165.09108	6.0
167.10677	1.9
173.09607	1.0
175.09674	6.7
175.11082	1.0
177.11212	20.8
177.12582	1.1
191.10672	2.7
193.10680	1.1
193.12309	1.9
209.11716	2.8
211.13266	3.1
219.12332	1.9
221.13777	5.4
221.15558	0.7
235.13321	2.3
239.14923	0.6
247.20549	16.2
253.14494	1.0
255.15964	2.1
265.16486	1.0
267.15839	0.8
273.22134	4.8
279.15958	1.0
283.17639	1.3
289.22083	1.0
289.25360	2.0
291.23163	26.8
299.18607	1.3
309.19165	1.0
313.27493	1.0
317.24722	2.8
333.24261	0.9
335.25699	5.9
353.21539	1.0
749.50244	2.5
766.52643	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	765.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.1
57.03407	2.5
61.02919	2.3
62.82081	1.8
67.05494	6.5
69.03397	1.9
69.07056	2.4
70.03851	5.8
70.04266	3.6
70.06586	11.4
70.19829	1.8
72.08133	2.9
79.05492	3.9
80.04990	2.4
81.03400	4.2
81.07060	6.8
83.08601	2.1
84.08124	3.6
85.02908	4.0
86.09698	3.8
91.03955	1.7
91.05484	5.8
93.05717	2.3
93.07030	5.3
94.06573	5.3
95.04973	4.5
95.08630	1.9
97.02890	2.9
101.46113	1.8
103.05463	3.1
105.07014	5.3
106.06551	1.9
107.04951	22.6
107.08601	3.5
108.08103	18.5
109.06588	2.3
109.10143	2.1
110.09687	5.2
112.85540	2.1
120.08087	9.1
121.06502	1.7
122.06033	3.1
124.07613	2.4
131.07295	2.1
131.08714	2.2
132.08125	2.6
136.07584	28.9
138.09122	6.7
144.08096	5.4
146.05981	2.8
146.09624	4.5
148.07576	7.7
150.09132	13.9
152.05872	2.4
152.07072	4.2
158.06073	3.0
158.09634	2.3
160.07535	3.8
164.07033	11.9
166.08664	9.8
172.07564	2.2
174.09145	6.6
176.10782	1.9
180.10245	2.8
184.07469	2.7
184.09964	2.0
185.10747	2.1
186.09184	2.0
187.08774	2.3
197.10760	3.1
198.09232	3.4
199.10042	3.8
202.08516	2.5
204.10100	2.3
209.10738	3.6
211.12325	2.1
212.10730	7.0
213.10211	4.1
220.05902	2.3
225.10242	6.6
226.12416	14.0
227.08237	3.3
227.11737	10.3
229.09634	2.4
237.06639	2.4
237.10199	6.5
239.08237	3.0
239.11845	7.3
240.09126	2.0
241.09775	12.1
241.13321	2.4
243.11241	5.0
251.08150	3.6
251.11823	3.1
253.09744	3.4
255.11314	12.5
257.10403	6.2
258.11121	4.0
259.10699	3.4
263.11737	2.4
264.08655	2.2
267.11316	4.0
269.09204	5.3
269.12534	2.3
271.11786	2.8
272.12808	84.5
277.09860	2.5
279.11313	3.5
281.09116	4.3
283.10837	10.2
285.12381	15.0
287.14063	6.0
289.09561	2.8
293.09195	8.6
295.10776	4.1
297.12372	4.3
303.13553	4.3
307.10648	4.1
311.10223	10.5
313.11707	4.6
314.12595	3.1
315.13498	4.8
316.14404	3.6
323.10196	3.0
325.11957	3.5
329.11807	2.7
330.12460	3.1
337.07996	2.9
339.09747	11.5
339.13306	2.5
341.11014	2.6
342.11554	1.9
343.13016	14.7
344.13831	3.1
353.11417	2.1
355.09186	2.7
357.14780	2.5
368.13675	3.5
371.12378	34.1
373.13950	8.8
376.16556	2.4
387.11890	2.7
390.18359	4.4
393.18005	6.0
400.16617	3.6
412.16693	2.4
416.15927	2.6
446.16946	2.2
448.18259	3.0
449.19211	3.0
450.20383	2.8
458.17038	4.4
460.18567	4.9
462.16296	2.5
463.17450	2.4
474.16995	2.0
476.17993	8.2
486.16614	8.0
488.18069	16.0
496.20667	5.0
504.17706	31.8
505.18265	9.4
508.20743	4.0
518.19153	6.8
522.19312	5.2
524.20203	5.3
536.20282	100.0
581.24054	3.5
599.25085	3.3
609.23627	9.7
610.21729	2.6
627.24438	20.0
630.24255	5.5
631.27411	5.1
642.24231	6.1
659.26721	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	765.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.7
56.96576	1.6
61.02929	2.0
67.05504	3.3
69.03435	1.2
69.07067	1.8
70.06580	1.7
71.04979	1.2
71.59741	1.2
73.02906	3.0
77.41233	0.9
79.05492	3.7
81.03411	2.6
81.07041	3.6
81.45720	0.9
83.04977	1.1
83.08591	1.3
84.08171	1.0
85.02883	1.6
86.09708	1.1
87.04465	1.9
89.06022	3.8
91.05488	3.3
93.07028	2.0
94.06573	2.3
95.04942	2.5
95.06033	1.0
95.08590	2.7
96.08132	2.1
97.06496	1.3
105.07027	6.1
107.04939	8.1
107.08634	1.0
108.08109	14.7
109.10148	2.6
110.09680	2.4
112.78912	0.8
117.07012	0.8
120.08109	4.0
121.06497	1.7
124.37573	1.0
127.56142	0.9
131.08574	1.1
133.08650	1.8
133.10106	1.5
136.07579	23.4
137.05998	0.9
138.09160	2.7
146.05882	1.1
147.11679	1.5
148.07562	1.9
149.47586	0.9
152.07021	1.0
164.07079	7.8
166.08649	5.3
174.09169	1.1
184.07417	1.7
204.06671	1.1
209.09547	1.4
213.10202	1.4
223.12410	1.1
225.10248	3.9
226.11000	1.0
227.11723	2.3
235.12244	1.0
237.10263	2.6
238.10965	1.4
239.08194	1.1
239.11832	2.6
241.09619	4.2
241.13361	1.6
244.13466	5.4
247.08600	1.5
249.10251	3.4
250.10988	1.5
251.11864	5.5
252.09016	1.3
253.09763	2.5
253.13228	1.3
255.11320	2.5
257.09198	3.8
261.10336	2.4
262.11060	2.1
263.11728	4.6
264.12424	1.1
265.09781	3.2
266.10464	1.1
267.11310	6.5
269.09326	1.7
271.10767	1.8
272.12906	3.3
277.09705	2.8
278.10782	1.1
279.11261	7.6
280.12051	1.7
281.12790	1.0
284.11426	2.0
285.12265	5.7
289.09723	2.2
290.10428	1.7
291.11255	3.9
293.09619	1.5
293.12811	1.7
295.10730	2.7
297.12479	2.7
298.13223	2.3
299.10403	2.1
299.13925	2.5
300.11050	4.2
302.12878	8.0
303.13638	16.0
304.14478	1.4
305.09204	1.7
307.10791	2.1
311.10236	2.9
311.13913	3.5
312.10971	1.6
312.14789	1.3
313.11951	2.3
314.13068	1.1
315.13693	2.1
316.14435	2.5
317.09238	2.0
319.10718	1.6
323.10242	1.2
323.13950	1.4
325.11990	3.2
326.12811	1.9
327.28339	1.0
328.14438	2.2
329.11707	1.6
330.12436	6.6
330.15802	1.7
331.13095	2.6
335.10272	1.2
337.11932	2.5
339.13678	1.2
340.14392	6.4
341.15118	1.4
342.12277	1.4
342.16098	2.0
343.13208	1.1
344.14020	4.1
345.14807	1.3
346.15460	1.7
348.13309	2.0
352.14459	1.6
353.11420	1.3
353.15378	1.4
354.12256	1.4
354.16129	1.8
355.13126	2.5
356.13947	3.3
356.18048	1.2
357.10818	1.7
357.14685	2.2
358.11740	3.6
366.12198	1.3
366.16293	1.0
367.13269	2.1
368.13943	4.9
369.14691	2.0
370.15448	3.8
371.12372	7.9
371.16455	1.5
372.13312	1.3
373.13940	2.2
374.14865	1.4
376.16812	2.1
380.13925	2.4
381.14780	1.5
382.15598	3.2
383.12277	2.4
383.16580	1.8
384.17047	2.7
386.14658	1.6
386.19031	2.0
388.12814	2.9
389.13461	2.0
390.14322	14.0
390.18469	1.6
393.14542	1.3
395.12518	1.4
396.13223	2.5
396.17538	1.3
397.13977	1.6
398.14859	3.1
400.16663	3.0
402.14291	1.5
403.15280	6.7
404.16110	3.0
410.15338	1.7
411.15689	1.2
412.16464	3.9
413.17300	2.6
414.18094	3.5
418.13596	5.7
420.15372	5.8
424.16492	1.3
426.14511	2.5
428.16006	1.8
430.17764	2.1
431.18457	1.5
432.19446	1.9
437.13617	1.2
440.15912	4.3
442.17679	2.9
444.19330	2.7
446.16931	4.8
449.19379	3.1
458.17062	2.8
459.18463	1.1
460.18347	4.7
462.16312	11.7
463.17288	18.9
464.17694	2.2
468.15424	4.7
469.15857	1.1
470.16803	7.1
476.17975	2.9
486.16455	7.3
487.17401	14.3
488.18143	92.7
489.17786	2.8
494.18805	1.3
504.21240	1.4
506.19183	2.1
518.19202	8.9
522.18494	1.8
535.19482	2.5
536.20245	100.0
537.20074	1.4
565.24121	1.7
580.21735	1.8
609.23438	26.4
610.23785	1.4
627.28314	6.3
641.25616	1.5
642.23553	1.2
659.26910	1.9
764.87646	2.9
765.38562	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	765.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.7
59.30685	0.5
64.83720	0.5
67.05475	0.9
69.48547	2.0
69.48981	1.9
70.06565	1.2
79.05495	0.8
81.07053	0.7
82.06551	0.6
84.08117	0.6
86.09668	0.6
91.05461	1.3
93.05783	1.4
93.07023	0.9
94.06547	1.3
95.04982	0.5
96.08114	1.4
105.82117	0.5
107.04938	3.6
108.08112	12.1
110.09669	2.1
120.08107	1.5
121.06469	0.9
121.10079	0.5
136.07573	15.8
138.09131	2.8
148.07579	0.8
152.07095	0.9
162.05493	0.8
164.07068	5.0
166.08649	2.7
172.03946	2.4
174.09256	0.5
180.06522	0.6
199.08577	0.6
204.06534	5.3
204.10196	0.9
210.49440	0.5
211.12354	0.6
213.10228	2.0
223.08556	0.5
224.09268	0.6
225.10217	2.6
226.10858	0.7
227.11859	1.6
235.08691	0.9
236.09378	0.5
237.10219	1.8
239.08165	1.6
239.11710	2.4
241.09691	3.5
241.13388	1.2
243.11337	0.6
244.13422	2.0
248.09418	1.0
249.10170	4.0
250.10934	0.9
251.11810	3.4
252.12421	0.6
253.09735	1.8
253.13295	0.6
255.11290	1.5
257.09171	4.1
258.11365	0.5
261.10196	2.2
262.10974	1.1
263.11786	4.7
264.08954	0.5
265.09708	2.9
266.10507	1.1
267.11273	4.9
269.09225	1.8
269.12762	0.5
271.10913	2.1
272.12878	1.6
277.09705	2.4
278.10583	0.8
279.11252	5.3
280.12238	0.7
281.09698	0.6
281.12946	0.6
283.10864	1.6
284.11594	1.4
285.12305	3.7
286.14435	6.9
287.14197	0.7
288.11359	0.6
289.09488	2.8
289.12418	0.6
290.10602	1.4
291.11136	3.4
292.11960	0.6
293.09296	0.6
293.12854	1.1
295.10837	1.5
297.12384	1.3
298.13260	0.5
299.10226	1.4
299.13901	1.0
300.11017	4.1
302.12888	7.1
303.13626	13.4
304.14484	1.9
305.09158	1.5
306.09927	0.6
307.10742	1.4
309.12424	0.6
311.10364	2.3
312.11322	0.6
312.14755	0.7
313.11984	1.8
314.12915	1.0
315.13715	1.1
316.14490	1.6
317.09253	1.4
319.10754	0.8
323.10172	1.0
324.11237	1.4
325.12103	2.1
326.12891	0.9
328.10806	0.7
328.14471	1.7
330.12357	6.4
330.16058	1.4
331.13150	3.6
332.13892	1.2
333.08450	0.8
335.10306	0.6
337.11945	0.9
338.12848	1.0
339.09973	0.5
339.13831	1.4
340.14450	4.1
341.15329	0.6
342.12299	1.1
342.16101	1.2
343.13098	1.1
344.13821	4.4
345.14865	1.2
346.15442	1.7
348.13525	2.2
352.14374	2.0
353.11337	1.3
353.15393	1.0
354.12369	1.6
354.16089	1.1
355.13251	1.5
355.17154	0.9
356.13974	2.1
356.17740	0.6
357.10696	1.6
357.14844	1.8
358.11829	1.9
358.15738	1.4
359.12576	1.4
360.13348	1.1
360.17358	0.8
362.14954	0.5
366.12497	1.5
366.16379	0.7
367.13303	1.7
368.13870	4.3
369.14667	1.7
370.11533	0.9
370.15695	2.3
371.12259	7.0
371.16168	0.6
372.17383	1.0
373.13992	1.9
374.15012	2.9
376.12430	0.9
376.16745	0.9
380.13956	1.9
381.14789	1.0
382.15613	1.8
383.12433	1.8
383.16565	1.3
384.12943	0.9
384.17419	2.3
385.13998	0.6
386.14548	1.1
386.18771	1.9
388.12695	2.7
389.13776	2.1
390.14423	14.6
390.19083	0.9
395.12579	0.8
396.13330	1.5
396.17642	0.9
398.15054	1.8
399.15625	0.7
400.16635	1.9
402.14459	1.4
402.18866	0.8
403.15204	6.8
404.15634	2.8
408.13660	0.7
410.15164	1.8
411.16461	0.7
412.16449	2.5
413.17529	0.9
414.18063	1.9
416.20236	0.8
418.13544	4.3
420.15524	5.5
424.16861	0.9
426.14270	1.1
428.15900	2.7
430.17593	2.0
431.18420	1.2
432.19681	0.6
434.17093	0.6
435.17752	0.8
436.18683	0.6
437.14023	0.6
440.16296	2.5
442.17529	1.9
443.18356	1.2
444.18973	0.8
446.17184	2.6
447.17972	0.5
448.18616	1.1
449.19653	2.5
452.16193	0.8
456.15692	1.0
458.17084	3.0
460.18802	1.8
462.16470	8.9
463.17358	17.8
464.18198	2.6
468.15445	3.6
470.17068	5.4
474.17075	0.7
476.18274	2.3
486.16550	6.0
487.17334	7.6
488.18155	63.8
489.18423	0.9
494.19009	1.5
496.20642	0.8
504.17313	0.8
506.19351	2.0
518.19226	8.2
522.19006	1.2
524.20264	1.7
535.19641	1.9
536.20264	100.0
537.20416	2.0
562.19769	0.8
565.24335	1.0
580.20782	3.1
609.23395	17.3
630.24152	1.5
641.25409	0.6
642.24023	0.8
659.27417	1.3
746.33630	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54459	0.3
59.27770	0.3
60.79991	0.3
63.78792	0.3
67.05501	0.8
70.06577	0.7
71.11948	0.6
71.12293	0.4
79.05489	0.6
80.05009	0.4
81.03446	0.3
81.07060	0.6
84.08126	0.4
85.02923	0.4
91.05472	0.7
93.05770	0.8
93.07051	1.0
94.06541	1.4
95.04947	0.5
95.07314	0.4
96.08134	0.9
97.02934	0.4
98.41471	0.3
107.04936	1.8
108.08112	10.7
108.08867	0.6
110.09671	1.5
120.08093	0.9
122.09620	0.4
136.07570	14.3
138.09071	1.9
141.81866	0.3
148.07581	0.7
152.07054	0.5
164.07060	4.3
166.08641	2.0
166.72865	0.3
174.09108	0.8
181.22519	0.4
192.71216	0.3
198.78288	0.3
204.06554	0.5
204.10178	0.6
213.10242	1.1
223.12416	0.6
224.13159	0.4
225.10156	1.7
226.10870	0.4
227.08171	0.7
227.11823	1.0
234.11560	0.4
235.08519	0.5
236.09535	0.8
237.10312	1.1
237.13841	0.3
238.10999	0.5
239.08122	1.0
239.11768	2.5
241.09747	1.9
241.13324	0.5
244.13306	1.7
247.08569	0.5
248.09586	0.5
249.10146	3.4
250.11015	1.0
251.08115	0.7
251.11765	2.7
252.08986	0.4
253.09787	1.7
254.10692	0.4
255.11311	1.1
257.09192	2.7
261.10205	1.6
262.11017	1.1
263.08710	0.5
263.11807	4.5
264.08951	0.5
265.09671	3.2
266.10498	1.2
267.11270	3.5
269.09286	1.2
269.12903	0.5
271.10892	1.2
272.12939	0.7
277.09720	2.9
278.10480	1.1
279.11252	4.9
280.12006	1.2
281.09238	0.8
281.12866	0.5
283.10779	1.6
284.11508	1.3
285.12311	3.4
286.13873	0.4
289.09470	2.0
290.10410	0.6
291.11267	4.0
292.12033	0.6
293.09171	0.9
293.12845	1.7
295.10843	1.5
296.11719	0.5
297.12372	0.8
298.13275	0.8
299.10129	1.1
300.10983	2.1
300.14453	0.4
302.12891	4.6
303.13635	7.2
303.45932	0.5
304.14474	0.5
305.09100	0.9
307.10822	1.1
308.11761	0.4
309.12241	0.4
311.10242	1.8
312.11261	0.4
312.14929	0.6
313.12085	1.0
313.15717	0.5
314.12704	0.5
314.16397	0.5
315.13846	0.4
316.14435	1.6
317.09158	0.8
317.15302	0.4
319.10818	1.3
323.10153	0.9
324.11218	0.9
325.12000	2.3
326.12976	1.1
327.13821	0.4
328.14438	1.2
328.17963	0.6
329.11612	0.7
329.15100	0.4
330.12399	3.1
330.16037	0.8
331.13013	1.7
332.13852	0.8
335.10297	0.8
337.11960	1.5
338.12915	0.9
339.13675	1.7
340.10739	0.6
340.14435	4.5
341.11447	0.4
341.15427	0.6
342.12521	0.9
342.16107	0.9
343.12961	0.7
343.16757	0.5
344.10306	0.6
344.13928	2.8
345.14902	0.9
346.15570	0.7
348.13501	0.8
351.13559	0.6
352.14505	1.4
353.11392	0.7
353.15244	1.0
354.12308	1.5
354.16046	1.5
355.13306	1.1
356.13904	2.4
356.17694	0.7
357.10736	0.8
357.14777	0.7
358.11838	1.2
358.15594	0.8
359.09036	0.6
359.12878	0.7
360.13168	0.6
362.18781	0.5
366.12350	1.1
366.16324	0.6
367.13184	1.5
368.13754	4.6
369.14731	1.4
370.11548	0.4
370.15582	2.6
371.12378	4.5
371.16611	0.3
372.17200	0.8
373.14081	1.1
374.14899	1.8
380.14041	1.5
381.14926	1.2
382.11337	0.7
382.15598	1.8
383.11960	1.6
383.16922	1.8
384.13120	0.8
384.17310	2.0
385.18198	0.6
386.14355	0.6
386.19089	1.9
388.12885	1.5
389.13879	1.2
390.14316	7.5
394.15765	0.8
395.12640	0.8
396.12836	1.7
396.17657	0.7
397.14111	0.8
398.14444	1.7
400.16672	2.2
401.17926	0.4
402.14478	1.0
403.15176	2.8
404.15750	1.6
410.15021	1.6
411.16071	0.6
412.16565	2.9
413.17517	1.9
414.18463	2.5
416.15671	0.7
416.20367	0.5
418.13171	1.7
418.18423	0.6
420.15387	3.2
424.16873	1.0
426.13879	0.6
426.18839	0.6
427.15601	0.4
428.15979	3.1
430.17587	0.8
431.18320	1.0
438.14227	0.6
440.16119	1.4
442.13321	1.1
442.17728	2.0
443.18433	1.0
444.19772	1.8
446.17151	3.9
449.19550	1.4
452.16272	0.9
456.15384	0.8
458.17133	1.6
459.17758	1.1
460.18741	3.7
462.16592	4.9
463.17355	9.4
464.18176	1.1
468.15573	2.2
469.16263	0.6
470.17078	8.0
476.18277	1.0
486.16589	4.1
487.17365	10.6
488.18143	100.0
489.18365	2.5
494.19067	1.1
496.20871	0.4
506.18942	1.2
508.20859	0.4
518.19196	5.0
521.14575	0.5
522.18536	0.6
524.20258	0.7
535.19293	1.1
536.20251	42.2
537.20538	1.1
565.24579	1.2
580.21167	0.8
591.22144	1.2
609.23438	22.2
610.23816	0.8
624.23816	0.7
630.25330	0.5
641.25897	0.7
659.26892	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.5056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	28.7
57.07076	68.8
57.17023	13.0
64.83847	12.9
67.05508	85.6
67.12423	15.0
69.07061	40.1
71.05005	15.1
71.08630	31.5
71.58782	18.3
79.05506	35.9
81.07053	80.6
83.08640	24.2
85.10147	12.9
91.05474	35.4
93.07064	38.9
95.08606	57.0
97.10151	24.2
105.07067	21.1
107.08575	25.2
109.10140	68.0
109.27033	16.2
110.09350	14.9
127.18986	15.4
163.68024	15.2
167.18515	13.9
184.07289	27.0
265.65607	17.0
275.20126	40.4
302.70981	19.7
339.05753	13.8
467.37424	70.2
507.40247	80.5
547.43555	29.5
587.46680	100.0
605.47388	64.7
630.40808	22.9
776.55615	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65945	0.6
56.96561	7.8
70.06595	3.6
70.10557	1.5
70.10964	1.2
71.95262	0.7
73.34915	0.5
76.85696	0.6
79.05492	1.5
84.04491	0.9
84.08143	1.0
84.96028	1.8
86.09695	0.6
95.04968	2.2
98.97579	34.0
107.04951	67.6
108.05292	1.1
110.07166	0.6
110.97573	1.5
116.98614	35.8
120.87845	0.5
128.98610	4.8
129.10202	1.1
131.00217	1.0
133.06499	1.0
134.99655	22.3
140.00201	1.4
143.00162	1.0
146.99646	6.6
149.01213	2.2
153.00732	2.1
158.01210	1.0
158.99632	11.6
161.01259	3.9
162.99095	1.2
163.02806	0.8
165.00731	1.3
169.09526	0.6
170.99677	1.9
173.04877	1.5
175.06381	1.0
177.00697	21.9
179.02322	0.8
183.03297	0.7
189.00655	2.9
189.04303	0.9
191.05914	10.3
193.07451	0.7
195.01752	2.0
197.04910	1.0
200.02344	1.5
201.00740	2.1
201.04387	2.3
205.03951	0.8
209.06979	3.3
215.05933	8.1
217.07515	4.0
219.01759	17.3
219.05084	2.9
225.04285	1.2
227.06001	0.8
229.07570	0.7
233.06950	5.0
234.98964	0.7
235.08614	1.0
237.02811	39.6
242.03328	1.1
243.05408	7.9
245.06950	1.1
251.05896	1.3
255.03799	3.9
257.07031	2.9
260.04544	2.0
261.06473	14.4
266.07095	0.6
269.06921	2.3
275.08118	1.9
279.04227	0.9
279.07516	6.4
284.08026	1.0
289.06052	1.4
299.08035	1.8
303.07471	3.5
307.07001	1.4
317.09039	10.4
335.10104	27.3
335.14182	1.3
336.10510	0.7
345.08551	2.0
358.11768	1.7
363.09607	45.0
364.09860	0.8
381.10666	100.0
382.11084	1.1
383.06345	1.8
404.12259	11.8
439.11145	4.3
441.10522	1.9
469.14053	3.1
497.15436	27.3
511.14868	0.9
525.14862	8.1
539.16632	1.2
659.20441	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
54.23021	0.1
55.01867	1.5
57.03428	0.8
61.02919	0.9
64.19120	0.1
65.03897	0.1
68.99788	0.9
69.03421	6.2
69.54706	0.2
69.55134	0.5
70.06544	0.3
71.01321	0.1
71.04987	0.9
72.08115	0.1
73.02906	1.2
79.05438	0.1
81.03407	7.8
83.01335	0.2
84.08154	0.1
85.02895	9.1
86.09635	0.1
87.00818	4.8
87.04436	0.1
91.03946	0.4
91.05468	0.1
95.04916	0.3
95.08599	0.1
97.02879	3.8
97.99648	0.1
98.20606	0.1
99.00790	0.1
99.04446	2.3
105.01188	0.1
105.01855	2.4
105.03361	0.1
107.04948	0.7
109.02866	6.7
115.03825	0.2
115.05389	0.1
117.01183	0.1
117.01847	1.0
121.02808	0.2
123.04393	0.3
127.03905	7.1
129.01837	0.9
129.06914	0.1
131.04857	0.1
133.02824	0.1
137.02319	7.1
137.03352	0.3
141.06929	0.2
143.04865	0.2
145.04950	2.2
147.02888	0.4
149.02405	0.1
149.05891	0.2
151.03900	0.4
153.01816	0.1
157.06447	0.2
159.02875	3.8
161.02338	0.2
161.05980	0.1
163.03813	0.2
167.03375	0.2
169.06439	0.3
171.04379	0.6
173.05913	0.1
177.01749	1.2
177.04056	0.1
181.06439	0.2
183.02823	0.1
185.06003	0.7
189.05475	0.2
195.02867	7.1
197.05931	1.1
199.03864	0.8
205.04922	0.1
206.45000	0.1
207.02728	0.1
207.04425	0.1
213.03841	0.2
213.05658	0.1
215.06944	0.2
217.04959	1.0
225.05434	2.2
227.03310	0.1
231.04936	1.0
241.35191	0.1
243.06573	0.2
245.04379	0.2
253.02393	0.2
253.04930	2.1
255.03012	0.1
271.06006	0.4
281.04333	0.3
299.05450	0.2
309.03824	0.2
315.04910	0.6
326.04239	0.1
327.04941	100.0
328.05292	1.4
331.02832	0.2
349.03635	0.5
357.05997	0.3
369.05823	0.1
409.09277	0.3
410.00751	0.1
421.09116	48.8
422.09335	0.6
451.10272	0.3
515.13318	29.9
516.13934	0.4
517.11658	0.1
545.09460	0.1
763.37177	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.01865	1.6
57.03431	0.8
61.02922	1.1
67.05468	0.2
68.99783	1.0
69.03426	6.0
69.07025	0.1
69.33216	0.7
69.33636	0.5
70.06574	0.7
71.01286	0.2
71.04972	0.7
72.52099	0.1
73.02912	1.3
74.89721	0.1
79.05478	0.2
81.03413	7.4
81.07014	0.2
83.01314	0.3
85.02900	8.9
86.09659	0.1
87.00824	4.5
87.04430	0.4
91.03907	0.4
91.05420	0.2
95.04923	0.4
95.08574	0.1
97.02891	3.7
98.20708	0.3
99.04455	1.9
105.01199	0.1
105.01856	2.4
107.04939	0.8
109.02873	6.6
117.01863	1.2
121.02816	0.1
123.04385	0.4
127.03910	7.6
129.01805	0.6
129.06966	0.2
131.04839	0.1
137.02330	7.1
137.03369	0.3
141.06931	0.2
141.94083	0.1
143.04863	0.1
145.04947	1.7
147.02832	0.4
151.03918	0.3
152.06007	0.1
153.06898	0.1
157.06517	0.1
159.02876	3.2
161.02324	0.2
163.03885	0.2
167.03363	0.1
169.06448	0.4
171.04332	0.5
175.03966	0.2
177.01836	1.0
177.04012	0.2
181.06537	0.2
185.06003	0.6
187.07462	0.2
189.05475	0.3
195.02873	7.1
197.05966	0.9
199.03886	0.8
213.05473	0.1
215.06976	0.2
217.04889	0.9
225.05466	2.5
227.03326	0.3
231.05000	1.0
243.06583	0.2
245.04520	0.1
253.04980	1.8
271.05969	0.5
273.03784	0.2
281.04419	0.4
315.04947	0.5
327.04962	100.0
328.05380	1.3
346.59409	0.1
357.05930	0.5
409.09140	0.5
421.09146	44.0
422.09552	0.5
451.09900	0.2
484.52817	0.1
515.13354	26.4
516.13647	0.5
527.09009	0.1
762.42065	0.2
763.34631	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.9
55.01851	0.7
55.05510	2.9
57.03440	2.6
57.07064	0.6
61.02919	4.5
67.05499	3.8
69.03420	2.0
69.07065	2.9
71.59563	1.0
73.02916	4.0
79.05482	5.5
81.03422	1.8
81.07043	4.5
83.04984	1.1
83.08635	0.7
85.02897	3.8
86.09697	0.9
91.03951	2.5
91.05470	5.4
92.05086	0.5
93.07031	6.3
95.04961	1.2
95.08601	4.2
97.02876	3.1
97.06539	0.6
99.04409	0.7
101.02368	1.4
103.05464	0.8
105.07018	3.7
107.04975	1.7
107.08592	4.1
109.02898	0.8
109.06539	0.6
109.10161	1.7
115.03911	0.8
117.07029	1.6
119.08575	2.7
121.06499	5.1
121.10119	2.3
124.99990	1.0
127.03910	0.9
131.08571	1.4
133.10112	2.2
135.11664	2.7
142.59219	0.6
143.08546	0.8
145.10138	1.5
147.11694	1.4
149.13194	0.6
157.10130	0.8
159.11673	0.8
163.11221	1.8
171.11790	0.7
184.07301	4.1
185.04178	0.8
200.66219	0.5
200.96986	0.6
202.14417	0.6
227.12813	1.7
243.08281	2.5
249.10963	9.1
259.20700	0.6
279.42752	0.6
288.82889	0.6
289.14026	0.8
293.21188	1.3
301.08975	1.2
305.13602	0.9
315.10611	0.6
347.14828	0.6
373.11017	0.8
393.15363	0.8
465.20963	1.3
467.18771	7.0
535.28821	10.0
539.21094	2.1
581.25513	0.6
761.40698	100.0
762.41241	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	762.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01864	0.9
55.05508	0.9
57.03444	1.1
57.07074	0.5
61.02936	0.9
65.03948	0.9
67.01830	0.4
67.05494	2.6
69.03436	3.2
69.07073	1.5
70.06583	2.1
70.19276	1.8
72.08139	0.9
73.02903	0.6
75.66666	0.4
77.03928	0.4
78.04700	0.5
79.05486	1.8
81.03414	2.7
81.07051	4.3
83.08630	0.7
84.08145	0.8
85.02899	7.4
86.06065	0.6
86.09708	1.0
87.00838	2.1
87.04462	0.5
91.05477	3.9
93.07043	4.2
95.04974	1.5
95.08612	5.0
97.02889	3.1
97.10145	0.8
98.06074	0.9
98.21455	0.5
99.04437	0.6
103.05447	0.7
105.01855	2.9
105.07027	2.6
107.04957	2.1
107.08568	2.6
109.02899	1.9
109.10145	7.5
110.07102	0.4
111.11679	0.5
115.03957	0.4
117.06998	0.4
119.04980	0.5
119.08575	0.7
120.08107	0.6
121.06499	32.3
121.10136	7.2
122.91885	0.3
123.08092	1.1
123.11702	7.9
124.12085	0.4
127.03892	3.4
128.06224	0.4
129.06999	1.1
129.10292	0.4
130.07751	0.4
131.08560	0.9
133.10149	1.1
134.03650	1.0
135.08083	1.5
135.11696	2.1
137.05986	1.1
143.08566	0.8
145.04918	0.9
145.06461	0.7
145.10101	0.7
146.07195	0.5
147.08011	0.5
149.05974	100.0
150.06299	0.7
151.07536	5.1
157.06500	0.7
159.02925	0.6
159.08018	0.8
161.06012	2.7
161.09608	0.9
163.07520	3.2
167.07043	9.4
169.10057	0.4
171.07988	1.2
172.08823	0.7
173.05817	0.4
173.09608	1.1
174.06747	0.6
175.07539	2.8
175.11145	0.5
177.05463	77.9
177.08913	1.5
179.06999	0.9
185.09586	0.7
187.07564	2.4
189.09094	28.5
191.07117	2.0
191.10632	1.3
195.06520	47.6
196.06891	0.5
197.09560	0.5
201.09082	2.8
203.07060	0.5
203.10672	2.5
207.06517	1.1
207.10164	2.1
209.08115	0.9
215.10684	3.9
217.08554	1.0
219.06505	2.0
221.08095	1.3
224.11952	0.4
227.10448	0.4
229.08575	1.7
229.12183	1.4
231.04865	0.8
231.10133	0.8
233.08044	3.6
235.09645	44.6
243.10114	1.8
247.09616	1.8
249.05972	0.5
249.11238	0.4
253.15775	0.6
257.11755	0.7
261.11185	0.9
271.16916	12.7
272.17075	0.5
285.14868	0.6
299.16406	23.9
303.15793	0.4
317.17459	39.4
359.88083	0.4
383.18478	0.5
389.17282	0.4
407.18570	1.2
425.19595	0.6
462.03275	0.4
466.89130	0.4
523.14197	0.4
632.19110	0.4
762.41327	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01623	0.4
55.01875	1.4
55.05511	2.1
57.03421	1.6
59.04987	1.5
61.02922	4.6
67.05499	5.0
69.03423	3.9
69.07058	1.0
70.06588	2.4
71.01353	0.8
71.05001	2.7
71.60033	0.6
72.08135	0.6
73.02908	3.5
79.05486	4.0
81.03412	7.4
81.07050	5.6
83.04974	1.1
83.08626	2.0
84.08119	0.6
85.02901	6.5
85.06540	0.8
86.09708	1.2
87.00849	0.8
87.04480	0.9
91.03971	2.5
91.05473	5.2
93.07048	4.3
95.04964	3.2
95.08615	2.0
97.02880	5.5
97.06522	1.3
97.10172	0.7
99.04476	1.0
101.02393	1.4
105.01897	0.5
105.07023	3.4
107.04945	2.3
107.08582	2.7
109.02878	1.5
109.06554	0.6
109.10157	1.7
111.08092	1.1
115.03969	0.4
118.98351	0.4
119.08592	2.4
121.06468	0.6
121.10139	3.7
123.08109	0.6
127.03894	2.6
129.07014	1.7
131.08574	2.7
133.10121	2.3
141.41516	0.4
142.07773	0.6
145.04967	0.5
147.11653	2.4
149.09598	3.8
151.11237	0.5
153.01810	0.6
157.10110	2.0
159.03012	0.5
159.11787	0.4
163.11092	0.5
165.12761	0.8
167.33841	0.4
175.11113	1.8
184.07397	0.6
185.04294	0.5
193.12268	2.5
197.15355	0.9
211.13252	0.6
213.05498	0.5
225.14940	1.4
243.08342	2.4
249.75664	0.4
253.14192	0.8
267.15961	2.4
283.06293	0.6
283.15140	5.8
299.05728	0.5
303.04999	0.9
313.03519	0.7
315.04974	1.1
327.05225	0.6
339.05084	2.0
339.17712	2.2
341.06839	0.5
353.06610	0.4
451.13629	0.8
469.20673	1.1
474.29529	0.5
477.15448	0.5
495.16489	5.2
501.23029	29.4
502.23929	0.5
513.17645	9.6
514.17859	0.9
581.34460	0.5
599.33496	1.2
657.30536	0.8
761.39252	100.0
762.40094	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	760.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.6
55.01864	3.2
55.05299	1.8
55.05508	23.4
55.83348	1.8
56.96552	1.9
57.03435	20.7
57.07067	3.5
60.08154	3.5
61.02915	5.5
65.03931	4.9
67.05498	75.2
69.03410	4.4
69.07065	19.4
71.01334	1.7
71.04982	4.8
73.02895	2.6
73.07904	1.9
79.05486	57.5
81.03411	92.5
81.07052	70.1
83.04969	10.5
83.08604	26.0
85.02886	7.3
85.06551	2.0
86.09707	13.7
87.04444	4.9
89.06013	13.4
91.03925	3.0
91.05471	38.7
93.07035	60.0
93.29492	2.0
95.04960	36.2
95.08598	48.5
97.02890	5.7
97.06531	6.4
97.10176	9.8
98.21505	5.5
103.05461	2.5
104.10757	3.3
105.07024	60.4
107.04961	14.0
107.08586	30.2
109.06497	5.0
109.10148	22.8
111.08112	8.7
113.09657	2.0
117.07018	12.7
119.08566	30.2
121.06505	13.3
121.10131	27.5
123.08049	5.2
123.11694	10.4
125.00011	8.3
125.09631	5.6
129.07005	11.1
131.08553	24.8
133.06490	3.5
133.08600	8.1
133.10130	18.2
135.08075	4.4
135.11682	18.8
137.13268	3.1
139.11255	2.1
142.07736	3.0
143.08568	2.7
145.10120	13.2
147.08041	12.7
147.11678	20.1
149.09595	6.7
149.13278	9.1
157.10107	13.4
159.11688	9.5
161.13289	8.2
163.11234	4.0
163.14821	3.0
171.11633	4.0
173.13264	7.5
175.09824	2.7
175.11111	9.0
177.11255	2.9
177.12715	2.0
184.07323	48.5
185.13246	3.4
187.14798	4.3
189.11195	6.3
189.12811	2.5
193.12227	23.1
207.84129	2.0
211.13293	3.1
225.12732	4.6
227.12790	5.6
229.98694	2.0
230.00737	1.9
243.21088	4.3
249.15030	5.1
259.20499	2.5
261.22134	19.3
267.15887	100.0
279.23340	3.1
285.21942	2.4
301.25269	7.3
309.17023	3.3
317.24777	4.8
333.24146	2.3
335.25781	74.1
373.21295	2.1
403.25287	2.3
435.32739	5.7
453.33496	8.3
465.20947	3.0
466.21362	4.3
471.34775	6.2
527.37250	62.6
545.38342	47.7
563.39502	4.7
651.05109	2.0
710.43713	2.4
747.47974	2.3
760.43036	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	11.3
57.03436	4.7
57.07074	26.5
65.49486	4.3
67.05505	25.3
69.07053	13.4
69.34620	4.5
71.08625	13.5
71.58199	5.6
73.18765	4.6
79.05490	14.9
81.03420	5.9
81.07065	22.9
81.92413	4.6
83.04969	10.0
83.08618	13.0
84.33264	3.9
85.10149	6.8
86.09716	5.7
91.05460	15.8
93.07040	17.8
94.87093	4.2
95.04942	5.8
95.08611	23.4
97.10157	13.1
105.07037	14.0
107.04974	6.0
107.08600	9.0
109.06520	8.1
109.10169	10.4
111.70998	4.3
119.08617	12.5
121.06529	5.8
121.10124	7.2
123.08108	5.2
129.07005	5.3
131.08598	11.2
133.06497	7.9
133.10124	7.0
135.08084	7.7
137.05940	5.6
137.09601	15.9
145.06467	5.4
145.10124	12.9
147.11684	5.0
149.09491	5.3
155.08475	5.1
157.10065	4.7
159.07971	5.3
161.09686	4.8
163.11252	4.5
173.09691	5.6
184.07307	13.5
189.11046	5.4
190.43178	4.2
204.51173	4.4
233.15405	15.5
261.18576	9.1
271.16956	11.9
282.27856	9.2
289.17966	50.0
307.19095	7.5
313.27365	6.0
381.22525	6.1
388.39044	4.6
461.76016	5.1
545.79596	5.0
575.46271	8.1
583.43274	14.4
601.44452	28.6
619.45642	100.0
702.01331	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	760.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01862	0.4
55.05507	1.3
57.03433	1.0
59.04980	0.3
61.62329	0.2
65.03937	0.5
66.58322	0.2
67.05499	3.0
69.03426	0.4
69.07061	0.8
71.04987	0.5
73.02906	0.7
73.06548	1.9
77.02798	0.2
77.03920	0.4
79.05487	8.1
81.03413	4.3
81.07055	3.4
83.08630	1.0
86.09723	0.4
87.04463	7.3
89.06025	51.1
90.06372	0.3
91.05473	11.2
91.07610	0.4
93.07038	4.1
95.04962	4.3
95.08597	2.4
97.06499	0.2
97.10170	0.2
102.04673	0.3
103.04780	0.4
103.05458	7.3
103.06129	0.4
105.07022	100.0
106.07357	0.9
107.04956	2.5
107.07064	2.0
107.08555	1.3
109.10173	1.1
111.08081	0.3
113.06028	0.3
115.05460	0.7
116.06229	0.4
117.07001	2.1
117.09130	1.1
119.04931	1.4
119.08571	6.0
121.06497	15.7
121.10122	1.2
123.08098	0.3
123.11737	0.4
127.39191	0.2
128.06227	0.9
129.07002	4.0
130.08652	1.2
130.96150	0.2
131.04939	0.2
131.07069	2.4
131.08557	8.9
132.05698	0.8
133.06473	0.8
133.08594	35.4
133.10184	1.3
135.08075	0.6
135.11656	0.8
143.08600	0.5
145.06487	1.3
145.10106	0.7
146.45056	0.2
147.08037	34.4
147.11716	0.7
149.09605	7.7
151.09666	0.3
157.10133	0.7
159.11699	0.4
161.11682	0.2
161.13205	0.3
163.07549	0.3
163.11197	0.4
165.06993	0.2
165.09109	1.6
166.07738	0.4
171.07962	0.2
173.09589	0.6
173.13289	0.5
175.09637	1.5
175.11174	0.7
177.11211	13.0
179.08530	0.5
181.10118	1.5
184.07353	1.5
191.10634	0.8
192.09277	0.3
193.10469	0.4
193.12253	1.5
194.07181	0.2
195.11739	0.3
207.07948	0.2
207.11761	0.3
208.08745	0.4
209.11705	0.8
219.12260	0.4
221.13794	1.9
223.11137	1.9
223.15204	0.3
225.12721	19.1
226.13057	0.3
227.12759	0.7
230.04869	0.3
234.10396	0.2
235.13118	0.3
237.12703	0.4
239.14818	0.4
249.12759	3.0
251.14345	2.6
253.14265	0.3
255.15910	0.3
261.22156	0.9
265.16501	0.3
267.13773	0.4
267.15945	4.8
269.15347	3.5
271.15347	0.3
277.15753	0.3
279.15900	0.2
283.17484	0.9
285.16861	0.3
295.16879	0.5
299.18509	0.3
301.25287	0.3
311.16284	0.6
313.17920	1.6
315.18008	0.3
317.24673	0.3
327.17322	0.7
329.18820	0.6
335.25790	3.8
353.21466	0.2
373.21597	5.9
401.23285	0.3
403.23303	0.3
417.23987	0.4
453.33652	0.5
527.37347	2.7
535.30780	0.6
545.38275	2.1
551.31995	0.3
639.37366	1.1
732.42084	0.2
743.43188	0.7
760.44946	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
54.14514	0.2
55.01870	0.4
55.05502	0.7
57.03435	0.4
59.04988	0.3
61.61166	0.3
65.03931	0.4
67.05502	2.7
68.25890	0.2
68.77722	0.2
69.07062	0.6
73.02919	0.5
73.06548	1.6
77.03899	0.5
79.05486	6.5
81.03407	3.1
81.07047	1.9
83.05006	0.3
83.08611	0.6
87.04463	6.9
89.06024	48.5
91.05474	10.4
91.06071	0.3
93.07046	3.5
95.04965	3.8
95.08609	1.4
97.02911	0.3
103.05458	6.3
105.07021	100.0
106.07328	0.4
107.04946	2.3
107.07069	1.6
107.08595	1.4
109.06468	0.4
109.10120	0.6
115.05444	0.6
116.06220	0.5
117.07004	2.0
117.09111	0.8
119.04932	1.4
119.08568	6.1
121.06491	15.6
121.10124	0.9
121.10938	0.2
128.06207	0.8
129.06992	3.8
130.08600	0.8
131.04855	0.3
131.07062	3.0
131.08551	8.2
132.05681	0.9
133.06477	0.7
133.08591	33.5
133.10016	1.5
135.08034	1.1
135.11714	0.4
142.07707	0.3
145.06477	1.2
145.10092	0.6
147.08037	35.4
147.11671	0.7
148.08409	0.4
149.09605	8.1
149.13199	0.4
157.10095	0.4
161.11794	0.3
163.07483	0.3
165.07018	0.3
165.09090	1.7
166.07773	0.6
171.08012	0.3
173.09613	0.9
175.09644	1.8
175.11177	0.7
177.11209	11.5
177.12610	0.4
178.07712	0.3
179.08614	0.3
181.10123	1.6
191.10658	1.0
193.10527	0.3
193.12279	0.9
208.08733	0.6
209.11699	0.7
219.12285	0.5
221.13914	1.9
223.11174	2.9
225.12723	19.1
227.12796	0.5
235.14998	0.4
237.12807	0.5
241.85741	0.3
243.21146	0.3
249.12773	3.3
249.78178	0.3
251.14366	2.6
255.15797	0.5
255.30292	0.2
261.22092	0.5
265.16483	0.3
267.13846	0.4
267.15869	2.4
269.15356	3.7
271.15228	0.3
283.17438	0.6
295.16956	0.4
311.16547	0.7
313.17950	1.6
315.17999	0.3
327.17349	0.8
329.19113	0.6
335.25793	2.5
373.21576	4.9
397.24210	0.3
471.34250	0.3
527.37360	1.6
535.30811	0.4
544.53326	0.3
545.38171	1.1
639.36639	1.0
743.43207	0.7
760.43433	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	759.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
59.04999	0.3
70.01399	0.4
70.01807	0.7
73.06548	0.6
77.03922	0.4
79.05051	0.3
79.05485	4.9
81.03442	0.2
87.04459	5.4
89.06023	30.4
90.06336	0.3
91.05470	2.9
93.07038	1.3
93.98640	0.2
95.04964	2.1
103.05457	4.6
105.07020	100.0
106.07335	1.3
107.04958	0.3
107.07057	0.8
117.07015	0.4
117.09110	0.3
119.04919	0.7
119.08544	0.6
121.06495	7.4
129.07022	0.8
130.08609	0.6
131.07063	1.7
131.08548	4.4
133.08589	19.2
133.10193	0.6
134.08891	0.2
135.08032	0.2
140.45480	0.2
145.06480	0.4
145.10120	0.2
147.08037	2.2
149.09645	0.8
153.06978	0.2
155.08545	0.2
163.11107	0.2
165.06940	0.5
165.09096	2.2
166.07753	0.5
167.10571	0.2
169.10106	0.3
172.14505	0.2
173.09583	0.4
175.09656	0.8
175.11035	0.2
177.11211	5.8
179.08557	0.2
181.10052	0.3
184.07362	0.2
191.10643	0.2
193.10440	0.2
193.12160	0.3
205.16257	0.2
208.08522	0.2
209.11636	1.1
209.13306	0.4
211.13251	0.3
219.12088	0.2
221.13820	0.9
223.11127	0.9
225.12717	6.5
226.13081	0.3
227.12735	0.4
235.13104	0.3
239.14722	0.3
249.12611	0.3
251.14285	5.5
253.16179	1.0
255.15826	0.3
267.13834	0.3
267.17349	0.3
269.15338	4.3
271.15314	0.5
279.15823	0.2
283.17432	0.4
295.16791	0.6
311.16269	0.3
313.18082	1.5
315.17819	0.4
327.17319	0.8
329.18945	3.9
355.20697	0.2
359.20581	0.8
373.21588	2.9
403.23148	0.4
447.25867	1.5
463.26547	0.3
477.27560	0.6
507.28799	0.2
551.32141	1.8
655.37506	0.2
771.39307	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	759.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
59.04987	0.3
64.01940	0.1
65.26532	0.2
69.27155	1.6
73.02901	0.2
73.06552	0.8
77.03928	0.6
79.05482	4.7
81.03443	0.2
87.04462	4.8
89.06021	30.1
90.06332	0.2
91.05466	2.3
93.07036	1.0
95.04966	2.1
103.04780	0.3
103.05457	4.5
105.07018	100.0
106.07357	1.4
107.04969	0.2
107.07053	1.1
117.06972	0.4
117.09157	0.2
119.04967	0.7
119.08579	0.8
121.06489	6.9
128.06198	0.2
129.06973	1.0
130.08643	0.6
131.07062	1.7
131.08549	4.2
133.08585	20.3
133.10204	0.6
135.08032	0.2
145.06464	0.2
147.08026	2.5
149.09596	1.0
149.10675	0.2
155.08517	0.2
163.07500	0.2
165.07002	0.4
165.09058	1.8
166.07762	0.7
169.10161	0.4
173.09602	0.4
175.09662	0.8
175.22676	0.1
177.11197	7.2
179.08443	0.2
181.10109	0.4
184.07393	0.1
191.10641	0.6
192.09233	0.3
193.12236	0.3
209.11543	1.0
209.13295	0.4
211.13286	0.2
219.12117	0.2
221.13864	0.8
223.11177	1.0
225.12724	7.1
227.12737	0.2
235.13165	0.2
239.14694	0.3
249.12811	0.3
251.14305	6.0
252.14366	0.2
253.16066	1.4
255.15871	0.2
267.13806	0.2
269.15335	4.2
270.15680	0.2
271.15323	0.4
279.15778	0.2
283.17453	0.4
295.16812	0.5
301.32086	0.1
311.16559	0.3
313.17914	1.5
315.17957	0.4
327.17291	1.1
329.18924	4.1
330.19193	0.2
359.20486	0.7
371.20062	0.2
373.21582	2.5
403.22879	0.4
445.25595	0.2
447.25824	1.4
463.26523	0.2
477.27548	0.5
507.29254	0.4
551.32330	1.8
638.08856	0.2
697.94891	0.2
759.44354	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.5
55.01872	1.9
55.05510	19.3
57.03439	6.3
57.07075	3.0
57.13604	1.2
59.04991	2.2
59.16492	1.2
61.02901	2.5
65.03922	2.2
67.05502	74.5
67.53049	1.3
68.47272	1.6
69.03438	2.2
69.07064	12.1
69.92149	7.6
71.04992	22.8
74.39184	1.4
79.05491	35.9
81.07052	100.0
82.07418	1.9
83.04967	3.9
83.08607	9.3
85.02880	1.8
85.06525	8.7
91.02216	1.4
91.05480	35.2
93.07039	40.9
95.04945	4.4
95.08603	28.2
97.02856	1.7
97.06528	3.6
97.10205	3.4
98.06085	1.9
98.21436	2.7
105.07017	21.0
107.08586	23.3
109.06517	1.4
109.10149	14.0
111.08082	2.2
117.07009	6.0
119.08596	8.5
121.10126	15.2
123.11690	14.0
131.08554	8.8
133.10109	16.9
135.11668	11.6
145.10121	4.2
147.11693	3.3
148.68593	1.3
149.13254	6.0
151.11183	5.5
154.91818	1.3
156.80489	1.6
159.11685	5.2
161.13275	2.5
163.14807	1.7
173.13266	3.8
177.12746	1.6
183.13806	2.3
184.07310	2.4
187.13272	4.9
187.14836	2.1
195.13757	3.0
197.47385	1.4
243.21249	1.4
261.22171	2.2
269.17465	4.4
301.20035	12.8
335.25784	29.5
477.09717	1.7
485.36316	2.2
503.29538	2.8
503.37277	85.2
504.37476	4.6
517.38867	5.1
529.38806	11.8
561.41473	88.1
562.41583	3.5
586.45428	3.0
601.91431	1.6
656.21271	1.5
664.51764	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01031	0.9
56.05025	2.1
57.36291	0.9
57.36597	1.1
58.06575	1.3
69.07072	5.6
70.06589	9.3
71.06134	1.2
71.57659	1.6
72.08154	3.4
73.18465	1.3
75.05598	10.2
84.04497	2.8
84.08140	3.9
86.09709	100.0
87.05596	11.0
87.10046	1.7
91.05429	1.0
98.09690	7.2
99.05581	6.8
104.10701	1.6
107.04938	3.9
109.03981	1.0
110.07168	1.7
115.05067	26.3
120.08157	1.2
125.00036	1.3
125.03515	1.1
126.06657	1.2
127.05046	19.5
129.10257	1.4
130.05016	0.9
132.07703	4.6
133.06467	2.1
136.07584	2.3
143.11804	21.4
144.07669	1.1
154.06136	2.3
155.11801	15.1
156.07700	2.9
165.10255	1.2
166.06100	1.7
171.11266	3.4
172.07195	14.7
183.08861	1.5
183.11287	12.6
184.07234	19.2
189.09846	1.6
189.12379	1.6
196.07220	1.7
200.06735	0.9
201.09891	5.5
210.12323	1.4
211.08264	1.7
213.09926	1.1
222.12427	2.1
228.11090	1.1
228.13446	1.5
229.09306	7.2
239.15060	2.4
240.11020	1.8
240.13377	13.0
241.09337	6.2
257.16122	6.7
268.10410	3.4
269.16071	2.2
285.15552	2.9
286.11462	6.7
297.15619	7.9
298.11530	1.9
301.26672	1.0
314.18256	5.0
325.12463	2.4
325.22589	1.4
342.17606	5.3
343.13525	1.3
354.17679	3.9
360.18716	2.0
371.20322	10.2
381.18677	4.5
382.14774	1.5
389.42514	1.2
399.19974	10.4
411.19717	2.3
417.20950	4.6
428.22485	5.2
438.20999	4.9
456.22025	3.4
474.23044	12.8
485.24753	2.5
495.23184	6.8
513.24146	2.9
541.30176	1.4
542.26837	1.9
552.25256	8.4
570.25964	3.0
581.29865	1.3
587.30896	1.9
637.34113	1.6
644.33746	1.9
655.35333	6.5
665.33527	14.3
683.35065	6.9
740.36163	4.0
758.37885	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	756.5532
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85894	0.2
53.72258	0.2
56.05036	0.6
58.06610	0.4
60.08166	6.9
70.06584	0.2
70.18153	0.6
71.06984	0.3
71.07376	3.8
71.23436	0.2
75.96961	0.2
79.05462	0.2
83.99680	0.2
86.09706	31.4
98.21476	0.2
98.40759	0.2
98.98469	3.5
104.10748	2.0
113.49811	0.2
125.00007	21.6
134.11090	0.2
143.00967	0.2
144.70499	0.1
160.07684	0.2
184.07341	100.0
185.07736	0.7
214.13547	0.2
476.57947	0.2
756.55219	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2182
Annotation	Quercetin 3-rhamnosyl-(1->2)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
53.03934	0.4
55.01855	0.3
55.05497	0.6
56.46431	0.2
57.03431	1.9
61.02915	0.4
61.68191	0.2
61.76300	0.2
67.05480	0.3
67.49322	0.2
68.99780	0.3
69.03419	1.6
70.06575	0.6
70.07214	0.8
71.01338	0.4
71.04988	12.4
71.70181	0.2
72.08157	0.2
73.02914	1.2
75.04468	0.5
81.03399	0.7
83.04974	3.3
84.08136	0.3
85.02898	17.7
86.09687	0.5
87.04446	0.7
91.05449	0.2
93.03381	0.2
95.04939	0.9
97.02879	1.2
97.06526	0.2
99.04438	0.8
107.04932	0.7
109.02864	0.8
110.07119	0.2
111.00774	0.6
111.04447	2.6
113.06002	0.4
115.24686	0.2
117.05500	0.8
121.02880	0.8
127.03918	1.2
129.05476	4.5
132.95871	0.5
135.04358	0.3
137.02325	2.1
145.02847	0.2
145.04916	0.5
145.55911	0.2
147.06503	2.1
149.02327	0.4
153.01813	2.4
153.05446	0.6
159.06512	0.3
160.84190	0.2
163.03897	0.5
163.06012	0.8
165.01787	1.4
166.02643	0.2
171.06447	0.3
173.05978	0.3
174.96944	0.7
177.05531	0.2
183.02901	0.5
183.06602	0.2
201.05472	1.2
201.07420	0.4
210.07602	0.2
219.06487	0.2
229.04956	3.3
229.07045	0.3
239.09114	1.0
247.05974	0.6
257.04376	2.2
257.10248	0.6
260.96793	0.2
262.42313	0.2
274.04721	0.7
275.05441	0.3
275.11295	0.5
285.04013	1.0
302.04184	0.3
303.04968	100.0
304.05246	1.2
315.04929	0.5
327.04993	0.5
329.06677	0.2
345.06067	1.3
369.06000	0.5
394.44434	0.2
413.08548	0.6
431.09726	0.4
449.10934	1.6
465.10291	2.1
757.26331	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.5532
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.6
57.07072	0.1
58.06626	0.3
60.08165	5.9
71.07372	3.1
71.18547	0.2
71.18890	0.2
75.10812	0.1
79.93974	0.1
86.09708	29.9
87.10055	0.2
98.98466	3.0
98.99121	0.1
104.10750	1.9
119.05698	0.1
125.00006	19.9
143.01045	0.4
166.02658	0.1
184.07343	100.0
185.07741	0.3
212.71645	0.1
223.84428	0.1
229.46873	0.1
274.01068	0.1
478.32938	0.2
496.33429	0.2
756.55194	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.1
56.05042	0.7
58.06625	0.4
60.08163	6.2
71.07370	3.3
71.08633	0.3
74.07111	0.1
76.40388	0.1
77.89619	0.1
86.09703	29.3
87.10046	0.2
98.98463	2.9
104.10732	2.1
107.53157	0.1
109.10172	0.1
125.00001	20.0
143.01016	0.5
166.02675	0.3
177.94174	0.1
184.07335	100.0
185.07693	0.8
487.54800	0.1
496.33936	0.2
608.42120	0.1
756.55194	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.5534
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	0.6
58.06632	0.5
59.07401	0.2
60.08162	4.9
67.05490	0.1
70.09505	0.2
70.09897	0.4
71.07370	2.9
86.09703	26.1
87.10029	0.2
90.73109	0.1
95.08578	0.1
98.98463	2.8
104.10059	0.1
104.10745	1.9
117.54633	0.1
125.00002	16.1
143.01041	0.4
173.22951	0.1
184.07335	100.0
185.07745	0.7
344.92825	0.1
756.55029	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.5531
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	0.7
58.06605	0.4
59.03056	0.2
60.07882	0.4
60.08161	5.1
66.33871	0.2
70.75555	0.3
70.75887	0.5
71.07024	0.3
71.07371	2.8
86.09703	26.3
98.98463	3.1
104.10731	1.8
125.00000	18.1
143.01030	0.5
184.07335	100.0
185.07701	0.3
213.79356	0.2
215.80171	0.2
238.41748	0.3
486.14545	0.2
756.55328	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.1
55.01862	17.2
55.05513	23.5
57.03430	16.1
57.07070	7.2
61.02914	4.0
62.44168	3.9
62.44519	3.2
65.03934	5.2
67.05500	83.7
69.07058	24.3
70.06580	5.3
71.04997	5.9
72.08153	5.9
73.02930	5.2
76.91847	3.0
79.05483	64.2
79.05910	6.1
80.53497	3.6
81.03386	8.0
81.07056	60.0
83.04977	43.7
83.08631	12.1
85.02862	8.5
85.06544	3.8
86.09690	4.8
87.04449	4.1
88.25185	3.7
89.06044	6.8
91.05477	63.0
93.07036	72.6
95.04965	13.5
95.08599	38.6
97.06536	17.7
97.10201	4.1
99.04457	6.7
99.08087	6.5
105.07021	66.6
106.07372	3.8
107.04961	11.2
107.08594	37.6
109.06452	6.8
109.10170	28.0
111.04433	76.7
111.08072	28.3
117.07004	29.5
119.08578	59.3
121.06549	6.7
121.10117	37.7
123.08023	4.8
125.05975	5.0
125.09662	3.7
129.07008	15.4
131.08533	31.8
133.10138	46.9
135.11667	45.9
143.08548	6.4
145.10130	44.2
147.11688	41.9
149.09607	10.3
149.13229	11.1
151.11145	3.8
153.12717	49.1
155.08572	4.9
157.10121	8.5
159.11690	16.4
161.13187	19.5
163.11174	54.4
168.08621	3.6
171.11682	10.6
173.09673	10.4
173.13274	12.9
175.14841	14.5
181.12228	52.5
184.07373	12.1
185.13228	7.6
189.12846	4.2
191.10651	52.0
199.14841	4.8
203.10442	3.7
209.11603	6.3
213.16356	6.3
227.12787	77.3
227.14893	5.9
231.21152	7.3
241.19582	27.8
243.21275	3.4
259.20566	100.0
264.34299	4.2
277.21817	4.2
282.31445	4.9
283.15372	87.2
299.14935	15.4
301.16425	91.0
315.23148	12.6
322.49603	3.9
333.24173	94.1
334.25034	4.9
335.25793	16.0
528.00922	4.3
541.35120	13.4
553.50671	3.9
559.36163	62.0
577.36926	13.8
756.53564	12.0
770.58142	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	756.452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.1
55.01862	17.2
55.05513	23.5
57.03430	16.1
57.07070	7.2
61.02914	4.0
62.44168	3.9
62.44519	3.2
65.03934	5.2
67.05500	83.7
69.07058	24.3
70.06580	5.3
71.04997	5.9
72.08153	5.9
73.02930	5.2
76.91847	3.0
79.05483	64.2
79.05910	6.1
80.53497	3.6
81.03386	8.0
81.07056	60.0
83.04977	43.7
83.08631	12.1
85.02862	8.5
85.06544	3.8
86.09690	4.8
87.04449	4.1
88.25185	3.7
89.06044	6.8
91.05477	63.0
93.07036	72.6
95.04965	13.5
95.08599	38.6
97.06536	17.7
97.10201	4.1
99.04457	6.7
99.08087	6.5
105.07021	66.6
106.07372	3.8
107.04961	11.2
107.08594	37.6
109.06452	6.8
109.10170	28.0
111.04433	76.7
111.08072	28.3
117.07004	29.5
119.08578	59.3
121.06549	6.7
121.10117	37.7
123.08023	4.8
125.05975	5.0
125.09662	3.7
129.07008	15.4
131.08533	31.8
133.10138	46.9
135.11667	45.9
143.08548	6.4
145.10130	44.2
147.11688	41.9
149.09607	10.3
149.13229	11.1
151.11145	3.8
153.12717	49.1
155.08572	4.9
157.10121	8.5
159.11690	16.4
161.13187	19.5
163.11174	54.4
168.08621	3.6
171.11682	10.6
173.09673	10.4
173.13274	12.9
175.14841	14.5
181.12228	52.5
184.07373	12.1
185.13228	7.6
189.12846	4.2
191.10651	52.0
199.14841	4.8
203.10442	3.7
209.11603	6.3
213.16356	6.3
227.12787	77.3
227.14893	5.9
231.21152	7.3
241.19582	27.8
243.21275	3.4
259.20566	100.0
264.34299	4.2
277.21817	4.2
282.31445	4.9
283.15372	87.2
299.14935	15.4
301.16425	91.0
315.23148	12.6
322.49603	3.9
333.24173	94.1
334.25034	4.9
335.25793	16.0
528.00922	4.3
541.35120	13.4
553.50671	3.9
559.36163	62.0
577.36926	13.8
756.53564	12.0
770.58142	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	756.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.0
55.01858	4.9
55.05507	17.6
55.21557	1.2
57.03438	10.9
57.07066	4.6
59.05006	1.5
61.02914	3.2
65.03919	1.8
67.05498	40.0
67.95339	1.4
69.03426	1.9
69.07062	16.4
70.06593	1.8
71.04979	5.5
73.02909	2.9
79.05489	38.4
81.03407	5.1
81.07051	41.2
83.04954	4.0
83.08611	10.8
85.02905	3.2
85.06521	2.6
86.09740	2.1
87.82574	1.3
89.02113	1.3
91.05474	42.4
93.07037	59.3
95.04958	12.1
95.08599	54.4
96.12016	1.2
97.02872	4.8
97.06521	4.0
97.10158	4.0
98.20702	3.4
99.04436	4.3
103.05479	1.4
105.07022	46.0
106.00624	1.3
107.04974	9.6
107.08588	43.6
109.06503	2.4
109.10175	11.7
111.04433	1.5
117.07003	18.4
119.08575	44.4
121.05758	1.4
121.06499	7.7
121.10135	23.6
123.11653	2.7
125.05977	3.2
125.09616	2.0
129.05412	1.3
129.07010	8.5
130.07788	3.1
131.08562	14.8
133.10121	29.4
135.08031	5.3
135.11687	54.8
139.07463	1.6
139.11137	2.2
143.08551	8.8
145.10112	38.4
146.10609	1.5
147.11678	25.0
149.09602	2.9
149.13275	5.7
153.12761	1.7
155.08478	1.8
157.10185	6.7
159.11707	11.2
161.13252	20.2
163.11179	62.3
163.14828	2.6
171.11691	7.4
173.13243	7.8
175.14825	9.0
177.12714	2.1
181.12192	10.7
184.07365	6.5
185.13222	6.5
187.14862	2.3
189.12749	1.5
199.14819	3.0
209.11722	1.9
213.16342	1.6
215.17931	1.8
227.12776	72.0
231.21088	5.2
232.16956	1.5
241.19487	24.6
259.20563	65.3
275.20059	3.2
275.70694	1.6
277.21753	2.0
283.15387	64.5
284.15814	1.9
315.23160	6.7
333.24216	100.0
334.24518	2.8
357.31696	1.4
541.35199	43.0
545.80591	1.9
559.36304	7.7
586.29065	3.4
756.59064	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	756.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18134	0.6
55.01854	3.2
55.05264	1.1
55.05505	12.5
57.03438	5.5
66.36909	0.7
67.05163	1.4
67.05497	18.1
69.03422	4.6
69.07061	4.4
70.06584	1.4
71.04989	3.8
71.33536	1.6
73.02896	0.8
79.05062	1.3
79.05489	19.3
80.07945	0.8
81.03408	42.7
81.07050	19.4
83.04968	4.3
83.08610	15.7
85.02868	1.4
85.06532	1.3
91.05472	14.6
93.07034	15.3
95.04960	17.6
95.08127	0.9
95.08611	8.1
97.02869	2.0
97.06512	3.2
97.10162	14.6
105.03373	1.0
105.07037	10.3
107.04939	13.4
107.08583	9.6
109.02855	1.0
109.06521	6.1
109.10148	5.7
111.04417	1.5
111.08033	3.8
113.17422	0.8
115.05457	1.6
117.07027	4.1
119.04977	1.0
119.08562	9.4
121.06483	8.8
121.10133	7.1
123.04454	1.1
123.08049	2.6
123.11675	1.5
125.05946	1.0
125.09609	11.6
127.03897	1.2
129.06967	7.8
131.04883	1.2
131.08563	10.0
133.06453	4.1
133.10130	5.5
135.08041	5.0
135.11652	2.4
137.05971	0.9
137.09573	2.0
141.06917	1.3
142.07750	1.2
143.08536	2.6
145.06447	5.1
145.10109	4.8
147.07996	4.6
147.11679	4.9
149.05936	1.8
149.09651	4.8
150.57852	0.8
153.09097	2.6
153.12704	1.4
155.08527	2.2
157.06409	1.8
157.10112	7.5
159.08018	1.9
161.05910	1.0
161.09596	2.0
163.11166	3.1
165.12817	1.2
169.10077	1.3
171.07993	1.6
171.11671	1.8
173.09639	1.4
173.13141	0.9
175.11188	5.3
177.12711	1.4
185.13286	1.2
187.11165	1.1
187.14862	1.0
189.08945	0.8
189.11174	4.3
189.12689	1.7
191.10564	0.9
191.14442	1.2
193.12193	13.7
195.07967	0.9
197.13306	1.0
199.11102	1.4
201.12648	0.8
203.14182	1.0
205.12241	2.0
209.13261	1.1
211.11081	1.1
215.14287	1.8
217.12170	0.8
219.13766	2.4
223.13232	0.8
227.12717	2.4
227.14642	1.4
233.15326	3.4
237.12752	1.1
237.14920	1.1
249.14883	1.0
255.13785	1.4
259.13086	1.3
263.10971	0.9
267.15894	37.2
268.16159	0.9
273.14716	6.2
275.16394	1.3
291.15836	0.9
317.15726	1.0
321.22006	0.9
327.04929	1.3
328.05615	0.9
339.23236	1.7
349.21555	5.4
357.24280	2.0
367.22623	13.5
385.18787	1.3
385.23718	20.8
403.19662	1.4
403.24667	9.3
405.24557	0.9
441.26376	10.2
459.27377	100.0
460.27692	3.6
477.28427	95.5
478.28748	3.9
491.29971	11.0
501.28171	1.7
508.16687	1.1
509.18661	1.0
509.31046	5.3
541.33459	1.0
567.29840	1.8
613.81470	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19913	0.4
55.05503	0.6
56.05019	0.8
56.96547	0.5
58.15899	0.4
59.57871	0.4
61.02910	0.6
67.05492	0.8
69.03397	0.6
70.06583	4.5
71.04989	0.5
72.08135	0.7
72.93775	0.8
79.05490	0.9
81.03402	1.2
81.07023	0.7
84.04491	0.5
84.08130	1.5
85.02889	1.9
86.06032	0.5
86.09681	1.3
89.03902	0.6
90.94828	0.5
91.05473	1.2
93.05775	0.4
93.07014	0.6
94.06548	1.2
95.04941	1.0
95.07336	0.5
96.08115	1.4
97.02894	1.0
97.06506	0.5
98.21472	1.1
101.07084	0.4
106.06514	0.5
107.04948	6.5
108.05249	0.5
108.08112	2.1
110.06031	0.4
110.07128	0.6
110.09675	2.6
116.05020	2.4
116.96359	0.5
120.08099	2.5
121.02832	1.3
121.10103	0.5
122.06028	0.9
124.07565	1.8
132.95811	1.5
134.06029	0.7
136.07564	3.0
137.05928	0.5
138.09151	2.9
144.04431	6.6
144.95918	0.5
146.06000	1.3
147.04385	0.5
148.07578	0.7
149.98985	0.4
150.09126	0.7
150.96822	0.9
152.07062	3.5
153.07372	0.6
157.06415	0.4
158.97360	1.1
162.04337	0.6
162.05478	3.2
164.07076	0.6
166.08638	5.1
172.03923	37.7
174.05525	0.5
176.98425	1.5
190.04982	1.2
190.96429	0.5
198.09151	1.1
198.96870	0.8
199.09972	2.4
200.10733	0.7
200.98447	0.7
204.06544	68.0
205.06964	0.9
210.09074	0.8
211.09908	0.6
212.10709	4.6
213.11455	1.3
216.97911	0.9
225.10291	0.5
226.12279	3.2
229.26527	0.5
234.98927	3.4
237.10159	0.8
239.11873	0.5
245.74632	0.4
249.10042	0.5
251.09148	0.4
251.11748	1.0
254.11708	2.7
257.10474	7.1
257.12976	0.8
265.09689	0.7
266.10443	1.0
267.11203	1.7
269.10440	0.7
271.12039	1.9
272.12790	100.0
273.13126	1.6
279.11230	1.7
280.12079	0.5
283.10773	0.9
284.11551	0.8
287.11609	1.1
295.07910	0.6
295.10922	0.4
296.11520	0.5
297.12292	1.8
311.10291	1.5
315.13431	1.0
325.11890	3.5
326.12137	1.3
337.11703	1.2
339.13623	0.6
341.98151	0.5
343.12909	2.8
352.97681	0.5
357.10107	0.8
357.14493	15.5
358.14874	0.5
363.03757	0.8
370.98477	6.6
371.12207	1.9
371.98718	0.7
386.14072	1.0
388.99545	7.2
397.17526	3.6
399.19254	0.7
403.14966	1.9
435.01715	0.7
447.01575	1.5
449.18982	0.5
459.15222	0.5
460.15875	0.6
464.21811	1.6
465.02603	9.9
466.03040	1.8
477.99893	1.4
479.00577	8.5
480.00842	1.1
482.02826	1.4
483.03702	8.1
484.03909	1.1
488.04214	0.9
490.19708	0.7
491.17578	0.5
492.18762	1.3
506.19189	0.7
507.03738	3.2
519.03491	0.8
521.05139	1.6
522.22821	0.6
531.03601	1.7
533.05084	1.4
534.18518	1.3
536.20276	2.9
543.03839	3.3
548.06903	0.7
549.05157	0.5
553.19580	0.6
554.20331	2.3
557.05621	0.5
561.04333	0.5
566.21143	4.1
568.22491	1.2
573.04816	1.1
579.05756	0.5
591.05884	0.6
609.06769	13.6
610.07074	2.6
617.25946	0.5
653.62543	0.4
755.40973	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.05510	1.4
56.05029	0.5
57.07069	7.3
58.06598	4.0
59.04998	0.6
65.75911	0.3
67.05502	0.9
68.05015	1.1
69.07050	1.2
70.06587	25.9
71.05003	0.3
71.08628	3.2
72.08152	3.7
73.02904	0.6
73.06551	0.3
79.05493	0.9
81.07053	0.8
82.06589	0.3
83.08591	0.5
84.08135	5.0
85.10168	1.5
86.06073	0.5
86.09699	7.6
87.04471	2.1
88.07620	9.8
89.06026	8.3
91.05457	2.2
93.07039	3.1
95.04937	1.5
95.08612	0.4
100.07587	0.4
102.09175	7.9
103.05479	1.0
105.04528	0.5
105.07017	2.1
107.04940	0.4
114.09157	4.5
117.06994	0.4
119.08585	1.0
121.06493	5.7
131.07004	0.3
131.08553	0.5
132.10185	5.0
133.08591	2.5
144.36870	0.3
145.10214	0.4
146.11740	4.9
146.12772	0.4
147.08034	0.5
149.09586	0.4
165.09108	2.1
176.12830	1.3
177.11235	0.7
184.07388	0.5
186.60759	0.4
190.14417	1.3
191.10658	0.3
196.82002	0.3
202.36790	0.3
209.11736	0.6
229.77420	0.4
296.33099	3.0
300.06439	0.3
322.34641	5.2
324.36215	3.9
338.34106	0.4
340.35696	27.1
341.36163	1.2
384.38306	22.0
385.38623	0.7
395.27930	0.3
428.40973	11.2
429.41309	0.6
472.43857	1.3
516.46283	1.6
560.49042	1.0
648.54102	3.3
651.40778	0.4
692.56635	3.0
736.59222	3.1
754.60278	100.0
755.60651	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	754.6027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.6
56.05045	0.3
57.07074	5.4
58.06595	3.7
60.56371	0.2
67.05501	0.6
68.05007	0.5
69.07070	0.7
70.06586	22.2
71.08630	2.9
71.20918	0.5
72.04504	0.3
72.08150	4.8
73.02898	0.3
73.06553	0.3
79.05476	0.3
81.07069	0.6
83.08604	0.3
84.08133	7.6
84.08609	0.6
85.10181	1.2
86.06093	0.3
86.09700	9.6
87.04477	1.1
88.07619	4.2
89.06026	9.1
91.05511	0.4
93.07053	0.5
95.08614	0.3
100.07638	0.8
102.09165	2.9
105.07040	0.9
107.04955	0.4
107.08636	0.4
112.07679	0.3
114.09156	9.3
121.06477	0.5
130.08662	0.3
132.10194	1.5
133.08614	0.9
146.11784	1.1
173.40623	0.3
174.54010	0.3
176.12901	0.5
190.14307	0.6
208.04855	0.3
220.15430	1.3
234.16988	1.5
262.71683	0.3
264.18100	0.5
278.19760	0.6
296.33133	4.0
308.20605	0.6
310.34875	0.4
322.22159	0.4
322.34662	7.8
323.35245	0.4
324.36182	6.9
340.35693	11.0
366.25104	0.4
366.37219	0.3
384.38358	6.4
428.40933	5.0
472.43585	14.1
473.44208	0.4
516.46173	9.3
560.48792	7.5
561.48975	0.7
604.51465	6.8
648.54108	1.0
692.56549	0.8
735.12091	0.3
736.59106	0.9
754.60272	100.0
755.60590	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	754.6029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.4
55.01831	0.3
55.05506	1.9
56.04992	0.4
57.07069	7.9
58.06595	7.1
59.04974	0.4
63.65105	0.3
67.05471	0.6
69.07060	2.6
69.30292	2.5
69.30705	0.6
70.06584	9.1
71.08627	4.1
72.08151	2.5
73.02868	0.8
73.06508	0.5
74.75829	0.3
79.05434	1.1
81.07011	0.7
83.08590	1.6
84.08138	3.0
85.10169	2.2
86.06017	0.4
86.09698	4.2
87.04455	2.3
88.07625	2.3
89.06023	10.4
91.05444	0.9
93.07009	0.7
95.04958	0.5
95.08549	0.5
97.10123	0.9
100.07577	0.4
102.09167	1.3
103.05417	1.1
105.07018	15.6
106.07328	0.5
107.07019	0.3
107.08558	0.3
114.09148	3.5
117.09090	0.6
121.06458	1.2
130.08600	0.4
131.08505	0.9
132.10141	0.6
132.61842	0.3
133.08591	3.4
146.11702	0.6
147.08020	0.4
150.93875	0.3
177.11145	1.2
184.07315	0.5
199.12328	0.4
220.15424	0.5
225.12712	0.8
234.16870	0.6
278.19763	0.3
296.33087	50.8
297.33429	1.6
308.20724	0.5
322.34534	2.4
324.36172	2.7
340.35675	6.7
351.06000	0.3
373.21698	0.4
384.38434	2.5
428.40970	3.0
472.43503	4.8
516.46112	4.3
526.95294	0.4
529.35126	0.7
560.48645	3.1
604.51160	2.4
648.25165	0.3
648.54266	0.7
692.57043	0.5
754.60266	100.0
755.60675	5.4
779.76782	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.6
67.05495	3.3
69.03416	0.7
69.07058	1.1
70.06584	4.6
70.97376	0.6
71.05000	0.8
71.59770	1.2
79.05483	1.6
81.03410	2.4
81.07052	1.7
83.08627	0.9
84.04495	1.3
84.08120	1.0
85.02907	1.8
86.09705	2.3
87.04490	1.0
91.05487	1.4
93.07053	2.0
94.91940	0.6
95.04945	1.7
95.08590	0.8
97.02888	0.9
105.07027	1.5
107.04945	18.1
107.08566	0.8
109.02868	0.9
109.10117	0.8
110.06048	0.7
110.07143	0.6
118.06507	0.6
120.08105	0.8
121.02847	0.9
121.06492	0.8
121.10225	0.7
123.04409	0.8
124.07587	0.9
129.10196	0.8
130.33980	0.6
135.11676	0.6
136.06184	2.8
136.07578	1.2
137.06006	1.0
138.05478	0.7
147.04343	0.6
149.37473	0.7
152.07056	1.0
157.10069	0.7
182.04512	1.1
185.61618	0.6
187.20544	0.6
204.19615	0.6
216.95892	0.6
225.10233	1.5
230.15622	1.0
233.87497	0.6
237.10239	1.1
239.11821	0.7
240.55144	0.6
244.09775	0.9
249.10329	1.1
249.77612	0.6
251.08176	3.4
252.08760	1.5
253.09689	2.6
254.10558	0.9
264.08917	1.3
265.09698	7.1
266.10559	3.1
267.11304	2.2
267.15863	1.1
269.09335	0.7
273.13452	0.7
279.07898	1.4
279.11307	4.4
280.11868	1.2
281.09332	1.4
281.12927	1.8
292.08484	1.7
293.09225	2.1
294.09961	2.3
295.10748	0.9
297.08691	24.2
297.11893	1.0
298.09402	0.7
301.07040	1.1
301.13434	0.9
307.10693	1.1
309.08905	1.1
309.12341	3.1
311.10339	1.9
312.10968	8.0
313.11810	1.9
315.11252	2.5
315.14670	1.0
316.12167	3.7
321.08594	0.8
323.10849	0.7
325.11792	1.3
326.12216	0.8
327.13916	1.4
328.12048	0.7
329.12845	11.0
330.13596	2.1
335.10324	0.7
339.09558	3.1
341.09158	1.2
341.12766	1.4
342.09912	0.9
343.10727	3.6
343.14319	1.4
344.11487	1.2
353.11197	8.6
355.10431	1.8
355.14371	0.8
356.11539	8.2
357.12262	17.8
357.33578	0.6
358.13049	0.7
367.10754	1.1
369.11926	1.9
370.12747	1.8
371.10138	6.7
371.13934	11.6
372.14749	5.1
385.11670	1.0
385.14819	2.8
386.12378	1.9
387.16614	1.8
388.14218	5.6
389.14917	9.1
399.13239	3.2
400.14142	1.3
403.12909	2.2
415.16461	2.4
416.13541	5.8
417.14398	20.2
418.14905	1.3
427.12918	2.6
428.13812	0.7
431.15997	21.3
432.16696	4.6
433.17334	1.0
444.12982	4.6
459.15500	8.6
460.16266	2.8
461.17355	3.0
465.20163	0.8
477.16623	10.8
479.18292	1.0
491.18112	100.0
492.18796	6.9
493.19440	1.0
509.19214	14.1
510.18994	0.9
585.22467	4.5
591.28162	0.8
592.32202	1.1
612.23328	0.6
616.22937	3.8
630.23938	1.6
648.25470	6.6
754.42004	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.05511	2.0
58.29341	0.8
65.03930	1.6
66.28178	0.9
67.05501	6.3
69.03440	1.4
69.07053	2.2
70.06584	3.4
70.52921	0.9
71.59861	1.0
73.02927	1.1
79.05480	5.3
80.05001	1.4
81.03413	3.2
81.07053	3.8
82.06563	1.5
83.08627	1.5
84.08135	2.2
85.02881	1.9
86.09705	3.3
91.05476	6.3
93.07035	12.0
94.06566	7.3
95.04948	3.3
95.07354	8.9
95.08605	1.8
96.08133	19.5
97.02904	1.1
97.06516	2.5
97.10149	1.3
103.05448	1.8
104.05319	2.2
105.07024	3.5
106.06532	1.0
106.07327	1.0
107.04947	11.0
107.05620	1.4
107.08586	2.1
108.08118	11.5
109.06495	0.8
109.10136	1.8
110.07161	1.5
110.09674	33.8
117.07047	1.0
118.06525	1.5
119.04974	1.3
119.08562	1.4
120.04498	1.7
120.07251	1.6
120.08105	22.4
121.06506	2.0
121.10146	1.3
122.06000	3.4
124.07576	3.3
127.03970	0.9
131.08522	1.9
136.07576	12.0
138.09128	39.2
145.10091	1.5
147.04390	6.2
148.07555	10.3
150.09117	0.9
152.07079	3.4
155.90660	1.1
159.08089	1.2
162.05620	1.3
163.80722	0.9
164.07056	3.2
166.08629	61.0
168.08185	1.0
182.08168	2.9
190.04901	1.5
194.09616	1.0
196.07597	1.1
197.10739	1.6
204.06509	2.5
204.08144	2.1
207.06854	1.3
210.09100	1.6
211.12401	1.6
220.07564	1.2
222.09195	6.3
222.11301	1.4
225.10237	3.5
226.10973	1.4
227.11678	1.0
232.07559	1.1
235.06189	1.8
237.10271	3.3
238.08707	5.1
238.10760	1.3
239.11757	5.1
241.13509	1.0
249.07872	1.8
249.10321	3.1
250.08623	33.0
250.10951	2.4
251.11681	4.8
252.10168	1.3
253.13316	1.3
256.12094	2.9
263.07840	1.6
263.11652	6.9
265.09839	2.3
265.13422	2.5
266.08090	7.9
266.10989	1.7
267.08716	1.0
267.11292	3.9
269.12802	1.1
272.12741	1.4
273.12256	1.4
275.11905	1.4
277.09738	2.8
278.08099	33.8
279.11261	8.6
281.12787	3.1
282.11221	5.0
283.10889	1.4
284.11450	1.2
285.12415	8.5
289.13022	1.7
290.14120	1.2
291.11249	5.5
292.12091	1.2
293.12781	4.6
295.10699	2.8
297.12241	8.9
298.10773	15.7
299.11212	1.3
301.13211	1.8
303.14877	4.3
307.10858	1.2
309.12189	5.8
310.10699	42.3
311.10468	1.1
314.14072	2.7
315.11295	2.5
315.14828	1.7
316.12097	2.5
319.10721	2.0
321.12280	1.4
323.10242	1.3
323.14056	1.3
325.11670	5.3
327.10971	5.3
328.11938	4.4
329.12836	15.2
330.13535	2.1
331.14133	1.8
337.11777	9.3
339.14853	1.9
340.15863	1.6
341.12817	13.0
341.16672	1.6
342.13632	8.7
343.14322	7.1
344.15369	1.6
345.16092	1.5
354.17352	1.1
355.14511	5.0
356.14706	1.2
357.11768	1.4
357.15857	4.0
358.13113	3.8
359.13943	2.6
363.17093	3.8
369.12302	2.8
369.16269	1.4
370.13016	3.1
371.13867	12.2
372.14493	1.3
373.15411	3.1
375.16916	2.2
381.15860	1.9
383.13803	6.3
384.16202	1.1
385.15414	4.7
388.14090	1.8
389.14905	11.4
399.17032	3.5
401.14948	34.3
403.16495	8.0
413.14911	2.6
415.16510	4.9
424.22601	1.0
426.17947	1.0
431.16028	39.8
433.17572	1.2
437.20032	1.1
443.16144	8.2
445.17474	5.2
448.18344	1.6
449.17197	3.5
450.19992	3.2
462.19629	1.8
463.18661	27.1
477.18588	1.4
490.19473	7.2
522.22241	5.4
524.24957	1.5
528.25354	1.7
536.21704	1.5
552.24707	6.5
554.22827	11.2
555.23218	2.6
566.22791	1.9
568.24548	1.7
578.22241	1.6
596.23895	100.0
597.24225	2.2
598.24487	1.2
613.26489	7.1
628.26459	61.6
629.26703	2.4
645.29425	1.3
719.30176	3.3
754.77655	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.5
65.03917	0.5
67.05500	0.9
69.07060	0.4
79.05479	1.8
81.05813	0.5
82.06549	0.5
91.05470	2.1
93.05776	0.6
93.07043	2.2
94.06555	4.4
95.04961	1.0
95.07353	2.7
96.08120	7.2
103.05449	0.6
105.07024	0.8
106.06565	2.9
107.04951	6.1
107.07332	0.7
108.04475	0.5
108.08108	8.4
110.09667	10.9
116.04957	1.5
118.06528	0.8
119.08600	0.4
120.04473	3.3
120.08084	10.1
121.06465	0.4
121.08877	0.8
122.06020	5.5
122.09679	0.6
123.35773	0.4
124.07576	6.6
132.08075	0.5
134.06007	1.8
136.07564	19.0
138.09125	17.1
142.49214	0.4
144.04457	3.2
146.05995	5.9
146.09633	0.7
148.07556	12.6
150.05508	0.5
150.09140	3.4
152.07056	10.0
160.03972	1.2
160.07576	1.0
162.05461	2.1
164.07074	3.2
165.07866	0.6
166.08623	29.1
172.03915	18.8
172.07645	0.5
174.05544	1.1
174.09145	1.3
176.07053	1.2
178.08583	0.5
182.08170	0.7
184.09920	0.7
187.08687	0.5
188.07050	0.4
190.04967	13.1
194.08127	0.5
197.10765	1.4
198.11531	2.0
199.12285	1.3
200.07448	0.4
204.06538	25.0
209.10733	1.1
210.09409	0.6
210.11391	2.9
211.08589	0.6
211.12277	4.9
212.09297	0.8
212.13147	1.4
213.10194	0.7
213.13852	0.6
218.08098	1.2
221.10727	0.8
223.08765	0.8
223.12296	4.7
224.09436	1.2
224.13052	0.9
225.10188	5.5
225.13869	1.4
226.08807	0.7
226.10860	3.3
227.11752	2.8
229.09764	0.6
229.13353	0.9
229.42250	0.5
235.08716	1.3
235.12193	2.1
236.09482	1.3
236.13081	0.5
237.10213	7.2
237.13942	1.4
238.10988	5.1
239.11771	6.7
241.09677	1.0
241.13330	0.7
242.11848	1.0
243.11403	0.8
244.09683	2.3
246.07716	0.9
248.09497	1.3
249.10207	7.0
250.10959	4.6
251.08017	0.7
251.11768	11.4
252.09023	1.6
252.12422	2.8
253.09738	1.8
253.13393	3.7
254.60803	0.5
255.11288	3.2
256.12061	2.3
257.12881	1.6
259.14349	0.6
262.11087	1.8
263.08099	1.5
263.11765	15.2
264.08899	3.1
264.12500	3.5
265.09772	4.4
265.13391	7.3
266.10507	4.8
267.11267	12.8
268.12152	1.4
269.12793	4.2
271.10852	1.9
271.14432	5.5
272.12769	4.6
273.12305	3.5
275.11823	1.1
276.12515	0.5
277.09644	2.3
278.10474	2.8
279.11252	25.1
280.12036	3.2
281.09616	0.8
281.12814	7.9
282.10028	1.8
282.13342	0.8
283.10791	4.1
284.11511	7.4
285.12308	25.0
286.12802	0.6
287.13895	1.8
289.09839	1.0
289.15430	2.8
291.11252	11.8
292.11996	4.1
293.09262	1.2
293.12762	11.0
294.10086	0.7
294.13385	0.7
295.10886	3.0
296.11502	3.8
297.12299	35.6
298.13126	1.7
299.13882	7.1
304.08450	0.7
307.10706	2.5
308.11404	0.6
309.12311	18.5
310.13043	3.4
311.10269	3.4
311.13943	2.2
313.11856	1.8
315.13791	0.7
316.14612	0.5
319.10724	9.6
321.12332	8.7
322.13245	0.7
323.10245	8.1
323.13788	0.9
324.10950	0.6
325.11789	19.1
326.12454	1.0
327.13367	7.5
328.14282	0.5
337.11783	40.7
338.12537	1.2
339.13388	3.4
341.11496	1.2
343.12759	3.0
344.13919	0.5
344.17673	0.7
346.19186	1.3
348.20731	0.9
351.13168	0.8
355.13193	0.8
356.13702	0.7
357.14383	7.6
358.15414	1.2
359.16129	1.5
362.18454	0.7
369.14377	3.0
370.15311	0.6
371.15784	1.3
372.16980	0.7
373.13882	0.5
374.19168	0.7
376.16260	0.6
376.20352	1.3
382.15494	0.5
384.16907	0.5
385.14041	1.9
388.16440	0.6
390.18085	1.4
392.19666	1.7
399.15573	0.8
400.16531	1.8
401.17496	0.6
402.18063	2.8
404.19958	2.6
406.17657	0.6
412.16614	1.5
414.17947	0.6
416.19864	1.0
418.17627	1.5
420.19064	1.2
421.19962	0.9
422.20633	1.6
424.16766	0.6
429.14542	1.1
430.17554	6.3
431.18527	0.7
432.19196	4.9
433.19916	1.1
434.20724	0.8
435.21036	0.6
436.18628	1.5
442.17889	2.3
444.19025	2.0
446.21075	3.1
448.18591	17.6
449.19363	12.9
450.20206	14.1
460.18652	14.0
461.19296	1.2
462.20270	4.7
463.20834	1.1
464.21753	0.7
472.18451	1.5
474.20255	3.9
476.18091	6.5
477.19003	7.4
478.19681	5.1
480.21237	2.7
490.19666	39.7
491.20297	3.8
492.21249	7.9
493.22156	1.0
508.20810	0.7
522.22339	18.2
523.23120	4.1
524.23743	0.8
567.25745	1.3
584.23816	2.9
585.27148	1.3
595.25360	9.8
596.23749	0.6
613.26495	100.0
614.26978	2.8
645.29150	14.0
673.92456	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
63.73877	0.2
65.03929	0.4
67.05488	0.2
70.85033	0.4
75.70589	0.1
79.05486	0.3
79.08244	0.1
80.04998	0.2
83.94741	0.1
89.03912	0.8
91.05463	0.3
93.07031	0.3
94.06557	0.7
95.07343	0.4
96.08127	1.1
106.06544	0.4
107.04960	1.4
108.08116	1.6
110.09672	1.2
116.04181	0.3
116.04967	4.0
120.08073	1.4
122.06033	1.7
124.07587	1.4
132.04446	0.2
132.08028	0.3
133.08873	0.3
134.05971	0.5
136.07564	3.3
138.09143	1.2
144.04434	9.7
145.05220	0.3
146.05995	1.7
148.07581	1.1
150.09120	0.2
152.07109	0.3
157.07750	0.2
160.03960	0.2
162.05487	4.8
164.07074	0.3
166.08618	3.1
172.03922	49.9
173.04254	0.3
174.05521	0.6
178.08574	0.2
180.06592	0.2
190.04973	2.2
195.08072	0.2
196.11179	0.6
197.08430	1.0
198.09158	1.4
199.09935	3.2
200.10675	0.9
204.06544	84.9
205.06894	0.9
211.09947	0.7
212.10689	6.4
212.12732	0.3
213.11461	1.3
226.12267	3.2
229.13474	0.3
236.09286	0.4
239.09389	0.4
251.11781	0.4
254.11752	2.8
257.10443	8.3
269.12851	0.5
270.11380	0.2
271.11993	2.8
271.14468	0.3
272.12784	100.0
273.13095	1.4
279.11313	0.4
289.49341	0.2
297.12366	1.2
325.11765	3.8
329.15039	0.8
337.11725	0.2
339.13394	1.3
343.12851	0.8
357.14426	17.3
358.14792	0.5
393.18021	3.8
394.18481	0.2
395.19629	0.6
405.18182	0.5
508.14383	0.2
584.23633	0.2
596.23859	0.2
613.26447	0.7
729.33350	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.05492	1.5
57.06823	1.1
57.07074	16.9
59.04990	0.8
61.35903	0.7
67.05487	2.2
69.03423	1.0
69.07068	2.3
71.08630	33.5
73.02892	0.8
73.06550	4.1
79.05472	2.2
81.03409	2.1
83.05006	0.9
85.09655	0.9
85.10174	19.7
87.04465	33.7
89.06026	100.0
91.05474	13.6
93.07038	6.1
95.04965	3.0
95.08643	0.8
98.20774	1.9
103.05490	2.2
105.07019	5.9
107.04943	3.3
107.07063	3.8
107.08572	2.8
109.10143	1.0
117.07005	2.3
117.09116	2.2
119.04929	2.7
119.08549	6.5
121.06501	18.6
121.10161	2.1
123.08061	0.9
127.14797	1.2
130.08658	1.6
131.07018	8.0
131.08540	1.5
133.08597	58.9
135.08023	6.3
135.11702	1.5
136.05208	1.3
145.10074	1.4
147.08049	9.5
149.09621	8.1
149.13327	0.8
150.06734	2.4
159.11713	1.1
163.11174	3.5
165.09126	5.4
167.10680	1.6
173.09689	1.6
175.09653	4.1
175.11137	1.8
177.11235	13.0
191.10651	3.5
193.12181	4.5
209.11708	3.1
211.13313	4.2
219.12331	0.8
221.13803	1.4
235.13304	1.3
247.20564	15.6
255.15834	1.0
267.15842	2.0
273.22110	3.2
273.85165	0.8
289.25195	2.2
291.23163	24.1
317.24762	1.8
335.25671	2.2
378.93442	1.0
568.39996	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	0.3
56.96560	10.7
65.03916	0.6
69.87089	1.7
70.06528	1.2
71.95214	0.4
73.02863	0.4
74.97542	0.3
78.31967	0.3
81.03400	0.3
84.04447	0.3
84.08099	0.3
84.96030	7.3
86.09672	0.4
91.05476	13.6
92.05784	0.6
95.04903	0.3
97.02859	0.5
97.96785	3.4
98.97577	27.5
102.97041	1.5
107.04897	1.3
110.97559	4.8
112.99058	1.2
115.97836	3.0
116.98615	24.9
120.98008	0.3
124.99120	0.5
128.97690	0.6
128.98596	10.7
129.10197	0.3
131.00162	4.1
133.98820	1.3
134.99649	14.2
137.05902	0.4
140.00133	0.7
140.98581	2.0
143.00153	5.1
144.98082	1.6
145.01671	0.4
145.04784	0.3
146.99638	9.8
149.01237	3.5
152.98584	2.6
153.00603	1.5
155.00116	0.9
158.01164	0.5
158.99632	8.0
160.99950	0.5
161.01213	8.1
162.99135	3.0
165.00655	2.0
165.02188	1.5
167.02208	0.5
170.99649	6.5
173.01207	3.3
177.00697	13.7
179.02193	1.3
179.03662	0.5
181.00108	0.7
182.99707	0.6
183.03313	2.7
184.02686	0.3
185.01135	0.6
189.00645	4.7
189.02228	1.1
191.02286	2.4
193.01723	0.3
195.01764	2.5
197.04793	0.7
200.02261	0.6
201.00620	2.7
201.04257	0.3
203.02211	1.0
207.03282	16.2
213.00667	0.4
219.01730	17.4
225.04335	9.9
230.04903	0.6
235.02748	0.7
237.02794	39.1
238.03120	0.5
242.03404	0.6
243.01401	0.4
249.04378	2.3
253.03783	0.8
255.03847	3.6
260.04443	1.0
261.04315	1.5
267.05325	1.6
279.03781	1.0
291.05405	0.7
309.06409	26.3
319.10373	0.4
327.07483	100.0
328.07922	2.0
345.08405	0.4
350.09100	4.3
351.07465	19.7
352.07690	0.4
369.08554	53.4
370.09085	0.8
373.07019	0.4
392.10168	2.2
393.08542	3.0
395.06485	14.8
411.09546	9.0
412.09695	0.4
413.07574	1.9
419.05893	0.3
433.13528	0.4
436.09338	0.3
579.17554	1.5
621.18658	3.3
663.19305	0.7
682.93677	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
55.01860	0.7
55.05503	0.8
56.96564	0.4
57.03411	0.4
61.02919	0.6
65.03923	0.4
67.05487	1.7
69.03430	0.8
69.07054	0.5
70.06582	0.9
71.60017	0.7
73.02872	0.4
79.05489	2.6
80.05011	0.5
81.03393	0.9
81.07056	1.0
82.06533	0.8
83.08609	0.5
83.66656	0.4
84.08136	0.6
85.02905	0.7
86.09706	0.7
89.03902	0.8
91.05469	1.5
93.07015	1.0
94.06567	1.4
95.04957	1.7
95.08598	0.6
96.08135	2.4
97.02876	0.5
105.07043	0.9
106.06538	1.2
106.07232	0.4
107.04948	60.0
107.08641	0.5
108.08108	3.2
108.10122	0.4
109.10168	0.7
110.06038	1.0
110.09676	1.5
116.04977	4.0
116.98596	0.5
119.08529	0.5
120.04455	1.1
120.08065	2.5
121.06560	0.5
121.10125	0.5
122.06041	1.7
124.07574	8.2
134.06006	4.6
136.07564	3.9
137.05974	0.9
138.09155	2.4
144.04440	6.7
146.06024	1.4
147.40402	0.4
148.07562	1.6
152.07054	4.6
158.09659	0.5
162.05479	2.5
166.08604	2.7
172.03922	34.6
172.07559	1.7
172.11179	0.6
174.05444	0.7
182.09650	0.8
184.07387	0.9
186.05547	0.9
186.09138	2.5
190.04984	9.8
198.05447	1.3
198.09155	0.5
199.08621	0.9
199.12309	3.7
201.09879	0.6
204.06548	52.2
205.06805	0.7
210.09137	1.7
211.08626	2.9
212.09221	2.4
213.10210	1.1
214.10895	1.0
215.11780	0.9
223.08554	0.4
223.12294	1.0
224.10733	0.8
225.10251	1.0
225.41536	0.4
227.11766	38.5
228.12309	0.7
236.09448	0.7
241.13385	2.4
242.11768	0.8
251.11868	2.9
252.10300	0.6
253.09714	1.5
253.12868	0.4
259.14374	0.8
269.12811	6.5
270.11301	1.3
271.10812	0.5
272.12842	0.4
273.12363	0.7
277.09714	0.6
279.11246	0.8
284.16986	0.4
285.12598	0.5
286.13193	0.8
287.13873	78.4
288.14227	1.4
297.12311	1.8
299.13931	0.5
307.11148	0.4
313.11682	2.8
323.13699	0.7
325.07895	0.9
325.11780	16.8
326.62115	0.4
329.15045	0.4
331.15808	1.5
343.12909	7.1
349.16794	2.0
351.13287	1.6
357.14398	8.5
367.17953	0.8
372.18240	0.4
393.18063	100.0
394.18390	1.6
409.19089	0.9
419.15845	1.8
458.17307	0.8
459.18909	0.8
471.16031	0.6
488.04712	0.4
505.17755	0.5
508.21939	0.6
520.20801	0.8
552.21423	0.7
569.23438	0.5
611.24750	2.9
623.28284	0.5
626.25208	0.6
655.38513	0.5
673.30084	1.8
717.28870	3.2
722.48730	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05457	0.6
65.03902	0.6
66.00617	0.3
66.55517	0.3
67.05440	1.3
67.06567	0.3
68.59924	0.4
69.03381	0.4
70.06541	0.5
74.05380	0.4
77.32362	0.3
79.05479	1.9
80.04961	0.7
81.03357	0.5
81.05744	0.6
81.06995	1.0
82.06528	1.1
85.02863	0.6
86.09625	0.4
91.05463	2.8
93.05718	0.4
93.07035	4.2
94.06554	5.0
95.04892	1.4
95.07340	4.0
95.08568	1.0
96.08121	9.6
97.06451	1.1
103.05438	0.9
105.06975	0.7
107.04943	7.9
108.08099	7.2
109.06422	0.4
109.08865	0.5
110.09668	16.5
118.06474	0.5
119.09346	0.4
120.08093	11.2
121.02848	4.2
121.06417	0.5
122.06006	2.1
122.09568	0.4
123.06772	0.9
124.07570	1.8
133.06442	0.5
135.11525	0.4
136.07562	5.3
137.05963	28.4
138.09128	19.0
148.07556	4.1
148.34885	0.3
152.07031	1.0
157.59560	0.4
166.08632	15.0
192.09555	0.5
209.10725	0.4
221.10715	0.6
222.11375	0.5
223.12260	0.7
225.10172	0.8
234.11316	0.4
235.08543	1.2
235.12260	0.5
236.09309	1.1
237.10229	2.6
238.10947	1.6
239.11826	2.1
247.08627	1.0
248.09306	1.0
249.10162	5.2
250.10954	3.4
251.11757	7.1
253.13348	0.6
261.10162	2.3
262.10995	1.9
263.11777	11.4
264.12421	0.9
265.09784	1.9
265.13138	1.7
267.11264	1.3
275.11728	1.1
277.09662	4.3
278.10565	0.8
279.11288	7.3
280.11902	0.5
281.09308	0.8
281.12833	1.4
282.09970	0.5
283.10693	1.3
285.12247	0.5
289.09698	2.9
290.10413	0.8
291.11270	9.0
292.08734	0.5
292.11908	3.1
293.09399	0.7
293.12747	2.0
294.10025	0.6
295.10822	4.1
295.14108	0.6
296.11288	0.6
297.12231	3.3
299.11572	0.6
300.12473	0.5
305.09052	0.5
307.10751	5.9
309.12381	3.5
311.11407	0.6
312.12549	1.2
313.13293	1.5
314.13998	1.1
315.14764	1.1
317.09268	0.4
318.09805	0.5
319.10779	2.7
321.12369	1.2
323.10388	1.0
323.14075	0.4
324.11224	0.7
325.13354	2.6
326.13971	1.5
327.11133	3.0
327.14816	1.7
328.11813	2.6
328.15402	0.6
329.12695	1.8
329.16074	0.9
335.10175	1.9
336.10947	1.6
337.11780	7.4
339.11093	2.9
339.14520	0.8
340.11905	3.5
341.08658	0.8
341.12793	14.4
342.13452	5.9
343.14346	10.4
349.11951	0.9
352.11859	2.0
353.08920	0.4
353.12784	7.2
354.09415	0.6
354.13535	8.1
355.14392	29.1
356.11139	0.9
356.14948	1.8
357.16083	2.1
359.13834	1.0
367.10724	1.4
367.14865	2.3
368.11432	1.7
368.15057	1.4
369.11926	5.3
369.16748	2.5
370.12723	3.3
371.13861	1.4
372.16827	0.4
380.11472	0.9
381.12289	4.8
382.12909	2.1
383.13785	6.1
384.14139	0.8
385.11523	0.6
385.15448	3.5
386.12659	0.5
387.13315	1.6
388.14151	0.5
389.14734	0.5
395.13998	3.8
397.15338	1.4
399.13245	7.2
400.13828	2.8
401.14877	10.8
402.15555	1.3
403.18890	0.5
411.13409	0.8
413.14926	25.9
414.15436	2.4
415.16537	6.4
423.13489	1.2
428.13983	0.7
429.14240	13.4
430.17004	0.5
431.15945	3.3
440.16367	0.6
441.14429	14.4
442.15118	4.9
443.15970	21.4
444.18985	0.8
445.18854	0.4
446.19266	0.4
458.17105	1.4
460.16293	0.9
461.17029	59.2
462.17542	1.3
463.18610	1.3
472.18588	1.6
473.17041	6.1
474.17053	0.4
488.17978	2.8
489.18829	3.2
490.19724	11.1
502.20303	0.5
504.20963	0.5
506.21054	0.5
520.20782	3.9
521.20941	0.7
522.22241	3.9
534.22076	0.5
548.21332	0.6
550.22583	1.8
552.21173	1.6
564.21082	2.5
566.22791	3.5
567.24329	0.5
568.24750	0.5
576.21039	1.2
578.22797	2.4
584.23798	2.6
593.23828	1.4
594.22302	11.1
595.22839	2.3
596.23865	7.4
598.25446	1.7
608.23999	1.4
611.24976	7.3
612.23712	1.2
626.24902	100.0
627.25360	5.4
628.26373	0.7
643.27435	1.3
699.28210	1.0
717.29089	1.2
749.32074	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
58.30708	0.6
67.05475	1.3
69.91110	3.1
70.06564	1.1
79.05486	3.0
80.05018	0.8
81.03432	0.7
81.07050	1.0
82.06590	0.7
82.53463	0.6
91.05459	2.7
93.05754	0.8
93.07034	5.3
94.06544	4.6
94.52126	0.6
95.04958	1.7
95.07330	5.0
96.08119	11.8
97.06534	1.0
103.05443	0.8
106.06571	0.8
107.04946	10.2
107.08545	0.5
108.08102	8.8
109.08962	0.7
110.09668	17.8
111.04469	0.8
120.08092	12.1
121.02846	2.8
122.06031	1.9
124.07607	2.1
136.07565	7.8
137.05960	28.6
138.09123	20.5
148.07567	4.2
152.07156	0.9
166.08629	19.0
221.10863	0.6
223.12300	0.7
225.10278	0.6
235.08734	1.7
235.12308	1.0
236.09464	1.4
237.10242	2.5
238.10910	1.2
239.11835	1.9
247.08691	0.9
248.09505	1.6
249.10208	5.5
250.10973	3.6
251.11768	7.3
252.12492	0.7
253.13412	0.8
261.10217	1.6
262.11026	1.5
263.08130	0.6
263.08786	0.9
263.11789	12.9
264.12650	0.9
265.09799	2.5
265.13403	2.3
267.11218	1.4
275.11868	1.5
277.09656	2.8
278.10507	1.2
279.11285	6.3
280.11987	0.9
281.09265	1.5
281.12881	1.9
283.10837	1.9
289.09695	2.8
290.10410	1.1
291.11249	10.3
292.02347	0.5
292.12009	3.2
293.09705	0.9
293.12595	3.1
295.10684	4.5
297.12305	4.2
299.11700	1.2
300.12509	0.7
303.10883	0.7
305.09152	1.1
307.10684	6.5
307.13757	0.8
309.12335	4.1
311.11685	0.8
312.12766	1.1
313.13449	1.1
314.14203	1.4
315.14825	1.1
317.09280	0.8
318.09961	0.6
319.10834	2.5
321.12253	1.9
323.10422	1.2
324.11398	1.3
325.12668	2.0
326.10626	1.3
326.14233	1.3
327.11255	3.3
327.14832	1.3
328.12024	2.4
329.12915	2.0
335.10406	2.3
336.11057	1.9
337.11832	8.3
338.10458	0.7
339.11118	3.3
340.11990	5.6
341.12790	13.5
341.16086	0.8
342.13477	6.7
343.14349	14.5
349.11917	1.1
352.11856	2.9
353.12823	9.2
354.13535	9.4
355.14395	31.9
356.14908	2.4
357.15894	3.0
359.13898	0.8
362.67313	0.6
366.13431	0.8
367.14594	3.3
368.11539	1.7
368.15356	1.4
369.11963	7.1
369.16055	2.4
370.12787	3.6
371.13705	1.5
373.15451	1.2
377.12848	0.8
380.11627	1.1
381.12146	4.3
382.13007	3.4
383.13892	8.9
384.14743	1.0
385.11292	0.8
385.15427	4.4
387.13287	1.4
395.13882	3.8
397.15491	2.3
399.13327	9.0
400.13895	3.2
401.14877	12.0
402.15851	1.3
403.18201	1.1
411.13434	1.3
413.14938	29.3
414.15848	2.5
415.16537	7.6
416.16696	0.8
423.13739	1.5
429.14249	15.9
430.15619	0.5
431.16013	3.8
440.15680	1.0
441.14429	16.2
442.15118	4.6
443.16016	22.3
444.18915	1.9
445.19409	0.7
446.20752	0.9
460.16772	2.1
461.17032	64.4
462.17450	2.1
463.18750	1.4
472.18564	1.6
473.17017	6.3
474.18002	0.9
488.18146	2.3
489.18875	4.0
490.19720	12.6
520.20880	3.5
521.21466	0.8
522.22150	3.9
534.21844	0.7
538.22992	0.9
550.23828	1.0
552.21509	1.7
564.20941	3.1
566.22809	3.5
567.24774	1.1
568.24530	0.7
576.21411	1.0
578.22772	2.4
584.23907	2.2
593.23926	1.3
594.22290	11.9
595.22614	2.7
596.23810	6.1
598.25366	1.2
608.23877	0.9
611.24982	6.5
612.23663	1.2
626.24908	100.0
627.25348	7.7
628.26190	0.8
699.27637	1.2
717.29059	1.4
730.17230	0.7
738.39130	0.7
749.33362	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	746.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
65.33839	0.9
69.07059	1.1
70.06573	3.8
71.06110	9.3
71.36604	1.4
72.04504	3.2
74.00662	1.2
74.99830	1.0
76.02218	1.5
76.03991	1.6
76.35793	1.3
77.00258	0.9
77.00630	8.3
78.03780	4.3
84.04513	6.0
84.08132	1.0
85.02908	1.2
85.04030	6.0
85.06486	1.0
86.00647	2.1
86.06042	3.9
92.01688	3.2
92.98296	3.3
99.05558	2.0
102.03777	4.9
107.99398	1.2
109.07630	4.0
110.00938	3.1
110.06065	1.1
112.03947	1.2
113.03471	1.6
113.05998	1.8
118.02415	1.7
118.03233	26.6
120.04796	3.2
124.07598	1.7
129.06633	1.7
130.03242	8.0
130.04984	8.2
130.08580	1.4
131.04514	15.1
131.06323	4.7
132.04756	2.6
134.00935	2.5
139.03201	1.3
140.01675	2.6
142.08611	4.2
145.06035	1.9
147.05864	61.1
149.06323	1.5
149.07440	20.7
153.06577	3.7
155.04581	1.3
155.08136	4.8
159.02216	1.5
159.05788	1.6
160.00688	1.3
164.01913	1.7
175.05334	1.0
176.02049	1.4
177.03287	25.8
181.04596	6.6
181.06107	4.7
184.09688	3.5
185.03804	14.0
188.01988	1.3
193.04567	1.8
199.07181	5.0
205.04631	3.3
209.00529	6.9
213.12285	1.5
231.04326	38.0
243.04308	1.5
243.11882	1.0
254.06273	3.7
257.07730	2.4
259.11188	2.2
261.12360	1.2
268.07825	2.4
277.12106	1.7
288.06500	4.9
293.09830	3.5
307.09006	1.7
308.07248	2.3
325.09964	100.0
326.09985	1.4
343.71149	1.1
379.11005	4.1
391.11118	6.7
436.13116	7.9
437.15329	9.7
454.07758	2.0
454.14240	41.0
455.16223	4.9
459.86478	0.9
478.13974	1.0
509.16943	3.0
548.63300	1.3
566.19501	9.3
584.20502	22.1
617.20630	1.2
621.60345	1.2
667.11011	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.9
55.01860	2.1
55.05503	14.8
57.03428	4.3
57.07064	4.7
61.02914	2.2
65.03939	2.8
67.05502	86.2
69.03420	4.2
69.07066	13.8
69.35420	14.6
71.04996	16.5
71.08627	2.8
79.05061	2.2
79.05494	36.0
81.03395	2.3
81.07056	42.2
83.04974	3.7
83.08619	9.2
85.02903	2.8
85.06541	2.9
91.05483	24.0
93.07042	34.7
95.04967	4.8
95.08606	29.4
95.87579	1.4
97.02863	2.3
97.06516	3.9
97.10161	7.2
105.07037	13.5
107.08598	22.8
109.06512	1.8
109.10148	55.6
111.08081	3.5
117.07013	4.9
119.08582	13.0
121.10138	14.6
123.11718	3.2
125.09592	7.1
131.08543	6.1
133.10112	6.6
135.08075	1.4
135.11691	12.6
137.09607	6.9
145.10120	6.4
147.11641	2.9
149.13226	3.0
155.10661	1.8
159.11681	1.8
161.13281	4.1
163.11151	2.7
173.11777	8.6
184.07364	4.6
186.03343	1.4
189.11197	6.0
205.58891	1.5
213.14856	1.8
224.85530	1.5
227.12836	8.9
229.14304	2.2
245.13826	8.1
255.15875	5.0
259.20688	1.6
261.22107	3.7
287.18533	15.8
313.27332	5.1
317.24689	1.6
330.51852	1.6
335.25790	27.1
336.26135	1.6
456.09055	1.5
467.37143	1.7
483.36548	6.1
489.35751	100.0
490.36050	3.7
503.37518	3.0
515.37256	8.8
547.31451	3.5
547.39911	72.7
548.40100	2.5
744.44281	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	744.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
55.01852	3.7
55.05507	14.0
56.05035	1.6
56.96568	2.5
57.03419	5.1
57.07065	2.3
61.02910	3.5
61.25465	1.4
62.36396	1.1
65.03930	2.3
65.68168	1.1
67.05500	45.0
68.05015	1.5
69.03421	7.8
69.07065	20.6
69.07416	2.4
70.06235	1.7
70.06588	18.7
71.04987	8.3
71.60320	1.5
72.08164	6.5
73.02912	4.0
77.68340	1.1
79.05489	17.1
81.03431	8.1
81.06577	2.6
81.07050	46.4
83.04981	3.6
83.08615	14.6
84.04503	2.9
84.08142	7.0
85.02904	13.4
85.06532	3.1
86.09703	6.9
87.00801	3.9
87.05590	1.4
91.03982	1.4
91.05466	11.2
93.07029	20.4
95.04941	3.8
95.08598	44.5
97.02874	5.9
97.06521	4.4
97.10162	9.7
99.04446	30.2
99.08076	1.6
103.03912	3.2
103.05453	1.4
105.01839	3.1
105.07021	9.9
107.04951	12.7
107.08582	12.9
109.02871	4.3
109.06497	3.2
109.10142	25.6
111.08067	4.1
111.11710	4.2
113.09673	1.8
117.05457	3.0
119.08584	8.8
120.08107	2.5
121.06466	1.4
121.10134	23.9
123.08065	1.8
123.11713	8.4
125.09621	2.2
127.03888	5.6
129.10214	3.4
131.08580	2.0
133.10117	11.9
135.11681	19.6
136.07590	2.0
137.09595	1.3
137.13257	2.5
139.11266	2.8
147.11671	8.2
149.13223	4.3
151.11191	1.8
151.14830	2.2
153.12750	1.6
159.09198	1.6
159.11694	1.9
161.13164	5.5
163.11147	1.6
165.12720	1.7
173.08104	1.9
173.13216	1.5
175.11183	1.5
175.14717	2.8
217.19521	9.7
229.14403	2.2
235.20502	12.9
253.21588	2.7
267.15732	1.0
276.48019	1.1
301.16302	1.5
309.24228	3.5
327.25177	2.1
333.24521	2.9
337.23682	4.9
347.12869	1.6
351.25281	32.9
369.26324	4.0
397.29385	5.8
407.28192	1.9
425.28943	100.0
443.29996	55.9
461.31091	29.9
564.33411	1.4
582.35260	2.3
744.41431	3.4
745.34546	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.05514	0.4
59.04994	0.7
65.03925	0.3
67.05496	0.4
69.03440	0.3
73.02908	0.8
73.06553	1.3
77.03905	0.4
79.05489	6.5
80.55332	0.3
81.03412	0.5
87.04463	8.2
89.06024	50.2
90.06369	0.4
91.05470	11.8
93.07045	3.0
95.04964	3.4
98.20616	0.7
100.41861	0.3
103.05460	7.3
105.07021	100.0
106.07360	1.3
107.04958	3.5
107.07047	1.6
113.48907	0.4
115.05426	0.5
116.06250	0.6
117.06970	2.0
117.09137	0.9
119.04926	1.8
119.08576	5.2
121.06497	18.1
124.09859	0.4
128.06209	1.3
129.06996	3.9
130.08614	1.0
131.07083	1.8
131.08559	8.5
132.05692	1.1
133.08588	23.3
133.10167	0.9
135.08075	0.6
135.10081	0.4
145.06479	1.1
146.09634	0.3
147.08032	35.1
148.08337	0.4
149.09615	8.1
163.07590	0.5
163.11188	0.5
165.06912	0.5
165.09097	1.0
166.07809	0.6
173.09590	1.0
175.09573	0.8
177.11211	5.7
181.10109	1.3
189.31071	0.3
192.09204	0.5
193.12195	0.6
207.11830	0.3
209.11604	0.6
209.13414	0.4
221.13754	0.7
222.10335	0.4
223.11160	2.4
225.12721	15.9
237.12628	0.4
249.12718	3.0
251.14345	2.6
267.13843	0.4
269.15338	3.1
311.16125	0.4
313.17899	0.6
313.57675	0.3
373.21475	1.4
388.81671	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.1
55.01867	0.3
55.05497	0.3
59.04995	0.4
67.05496	0.6
69.03428	0.3
71.04984	0.3
71.60258	0.4
73.02914	0.3
73.06536	1.8
77.03897	0.5
79.05484	6.2
81.03423	0.3
81.07053	0.5
85.31858	0.2
87.04459	8.5
89.06020	56.6
90.06373	0.3
91.05469	9.8
91.07577	0.5
93.07039	2.8
95.04954	3.5
103.05457	7.8
105.07018	100.0
106.07335	1.2
107.04955	3.2
107.07051	2.1
113.49201	0.2
115.05434	0.5
116.06151	0.4
117.07008	2.2
117.09132	0.9
119.04947	1.6
119.08569	5.4
121.06493	19.4
128.06157	1.5
129.06993	3.4
130.08623	1.6
131.07062	2.4
131.08546	8.7
132.05676	0.8
133.06464	0.8
133.08586	33.8
133.10193	0.9
135.08038	0.7
135.10182	0.3
142.67343	0.3
145.06494	1.4
147.08029	38.9
148.08360	0.6
149.09601	7.8
151.09735	0.2
155.08417	0.4
161.11598	0.4
163.07538	0.6
163.11206	0.6
165.06973	0.4
165.09094	2.2
166.07747	0.5
171.08096	0.3
173.09583	0.9
175.09631	1.2
175.11082	0.4
177.11191	7.9
179.08478	0.5
181.10103	1.9
191.08797	0.3
191.10626	0.5
192.09299	0.5
193.12177	0.6
207.11717	0.4
208.08781	0.7
209.09819	0.3
209.11662	0.9
209.13321	0.3
220.93317	0.2
221.09416	0.3
221.13640	0.9
222.10347	0.4
223.11119	2.2
225.12720	19.2
227.12698	0.3
235.12984	0.3
249.12704	3.4
251.14302	3.1
267.13577	0.3
269.12726	0.3
269.15341	3.5
283.17368	0.3
295.16870	0.5
311.16306	0.6
313.17896	0.7
315.18207	0.2
327.17288	0.5
329.18961	0.3
373.21573	3.8
427.03748	0.2
452.01721	0.3
544.95624	0.3
598.28638	0.2
646.36536	0.2
743.55804	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.4
55.01862	2.7
55.05502	22.1
57.03432	16.9
57.07069	3.8
61.02920	4.8
62.99958	2.0
65.03925	3.5
67.05502	67.5
69.03423	6.7
69.07059	15.7
71.04980	5.3
71.59678	3.1
73.02916	3.5
79.05488	44.0
81.03416	52.3
81.07053	64.7
81.15527	2.2
81.73992	2.3
83.04980	12.8
83.08617	25.3
85.02897	25.0
85.06563	3.0
89.06021	6.6
91.03957	3.8
91.05472	46.1
93.07034	52.6
95.04965	27.5
95.08600	37.1
95.09163	3.3
97.02887	4.7
97.06522	6.8
97.10167	7.5
99.08121	3.3
103.05487	2.5
105.07021	42.3
107.04975	10.1
107.08582	23.2
109.06527	7.1
109.10129	16.2
111.04477	2.5
111.08071	10.2
113.06011	2.1
115.05447	3.3
117.07028	8.1
118.07955	1.9
119.08582	26.4
121.06532	4.7
121.10123	23.0
123.11729	5.1
125.09627	2.5
129.07008	12.5
131.08583	16.0
133.10120	16.6
135.11653	10.7
139.31865	2.0
142.07727	3.2
143.08569	2.2
145.10130	4.6
147.08073	3.5
147.11679	19.5
149.09662	4.8
149.13231	4.1
157.10161	11.9
159.11679	4.0
161.13264	5.3
175.11165	12.2
189.11197	2.3
193.12228	46.5
211.13272	76.8
227.19978	2.7
243.21001	2.3
261.22165	14.1
267.15823	15.4
269.34454	2.2
285.16937	77.3
301.25452	2.4
335.25772	77.3
410.64050	2.5
453.33731	2.8
517.38025	2.5
527.37415	10.6
545.38330	100.0
563.39362	3.2
743.43152	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	742.473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.4
55.01862	2.7
55.05502	22.1
57.03432	16.9
57.07069	3.8
61.02920	4.8
62.99958	2.0
65.03925	3.5
67.05502	67.5
69.03423	6.7
69.07059	15.7
71.04980	5.3
71.59678	3.1
73.02916	3.5
79.05488	44.0
81.03416	52.3
81.07053	64.7
81.15527	2.2
81.73992	2.3
83.04980	12.8
83.08617	25.3
85.02897	25.0
85.06563	3.0
89.06021	6.6
91.03957	3.8
91.05472	46.1
93.07034	52.6
95.04965	27.5
95.08600	37.1
95.09163	3.3
97.02887	4.7
97.06522	6.8
97.10167	7.5
99.08121	3.3
103.05487	2.5
105.07021	42.3
107.04975	10.1
107.08582	23.2
109.06527	7.1
109.10129	16.2
111.04477	2.5
111.08071	10.2
113.06011	2.1
115.05447	3.3
117.07028	8.1
118.07955	1.9
119.08582	26.4
121.06532	4.7
121.10123	23.0
123.11729	5.1
125.09627	2.5
129.07008	12.5
131.08583	16.0
133.10120	16.6
135.11653	10.7
139.31865	2.0
142.07727	3.2
143.08569	2.2
145.10130	4.6
147.08073	3.5
147.11679	19.5
149.09662	4.8
149.13231	4.1
157.10161	11.9
159.11679	4.0
161.13264	5.3
175.11165	12.2
189.11197	2.3
193.12228	46.5
211.13272	76.8
227.19978	2.7
243.21001	2.3
261.22165	14.1
267.15823	15.4
269.34454	2.2
285.16937	77.3
301.25452	2.4
335.25772	77.3
410.64050	2.5
453.33731	2.8
517.38025	2.5
527.37415	10.6
545.38330	100.0
563.39362	3.2
743.43152	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	742.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.3
55.05509	12.3
56.05041	1.1
56.31059	0.9
57.03431	9.7
57.07067	1.0
58.04619	0.8
59.05014	1.0
61.02936	1.7
65.03941	1.7
67.05503	20.7
69.03442	4.2
69.07060	6.9
70.06592	7.6
71.05007	6.3
71.60024	1.1
72.08155	2.1
76.79145	0.9
78.94321	0.8
79.05487	22.6
81.03416	47.1
81.07056	21.5
83.04974	4.8
83.08613	16.1
84.04504	1.4
84.08152	2.1
85.02905	4.2
85.06548	2.3
86.09703	2.7
87.04492	1.0
91.05481	17.0
92.05924	0.9
93.07043	18.1
95.04969	22.1
95.08607	10.7
97.02873	3.3
97.06524	4.8
97.10169	13.5
99.04462	1.1
105.07036	11.6
107.04957	25.6
107.08584	12.3
109.06518	16.6
109.10156	6.2
111.04411	2.2
111.08059	5.5
115.05450	1.4
117.07013	6.7
119.08574	11.1
119.09350	1.4
119.60532	0.9
120.08105	1.6
121.06500	12.8
121.10139	11.8
122.52064	0.8
123.04481	1.8
123.08072	4.3
123.11665	1.4
125.09625	14.0
129.06984	6.9
129.10242	2.1
131.04924	1.1
131.08559	10.5
133.06494	5.5
133.10118	4.5
135.08060	5.2
135.11694	3.1
136.07570	1.8
137.05991	1.5
137.09622	1.9
139.11189	3.4
141.06978	1.4
142.07831	1.3
143.08551	1.9
143.10696	1.2
145.06480	5.4
145.10146	5.5
147.04427	1.4
147.08038	4.3
147.11691	7.0
149.09618	5.7
151.11185	1.1
151.95686	0.8
153.09128	3.5
153.12769	1.5
155.08542	1.8
157.06474	1.7
157.10103	6.8
159.08046	2.3
159.11658	1.7
160.97380	1.2
161.06009	1.4
161.09595	2.0
162.97038	3.1
163.11125	5.7
165.12791	1.8
167.10739	1.5
169.10034	1.7
171.08133	1.6
171.10228	0.9
171.11632	1.2
173.09596	1.4
173.11905	0.9
173.13264	2.3
175.11185	7.0
185.09554	1.0
185.11702	1.4
185.13222	1.5
187.11279	1.8
189.11285	5.4
189.12766	1.3
191.14278	4.2
193.12241	14.9
195.08057	0.9
195.11725	1.4
197.13252	1.3
199.11180	2.2
201.12750	1.5
205.12268	1.6
208.96510	0.8
209.11742	1.2
211.11295	1.1
211.13239	2.2
213.51001	1.1
215.14265	1.7
217.12114	1.0
217.69740	1.1
219.13792	13.0
223.11227	1.0
223.13329	2.0
227.12737	3.9
229.12299	1.0
229.14359	2.2
231.13780	2.2
233.15344	4.6
235.13219	1.8
237.12750	1.1
241.14256	1.1
249.14795	1.8
255.13800	2.2
255.16231	1.0
257.15292	1.1
259.15411	8.4
267.15897	44.1
268.16290	1.4
273.14734	5.7
275.16492	1.1
277.57541	1.1
293.17432	8.4
339.23148	2.4
349.21579	3.5
357.24124	1.6
367.22644	16.1
385.23746	26.4
403.24805	9.9
421.26056	2.0
423.24744	1.1
433.25592	2.2
441.26285	8.7
451.26901	4.5
459.27405	98.3
477.28458	100.0
478.28763	1.3
491.30182	8.8
495.29453	8.3
501.28275	2.5
509.30820	4.0
567.29791	2.0
585.30481	1.1
613.61560	0.9
730.73810	1.0
742.40619	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	741.2231
Annotation	Kaempferol 3-isorhamninoside
Peak:m/z	Relative Intensity
53.03932	0.2
54.01943	0.1
55.01871	0.3
55.05508	0.7
57.03427	2.2
58.63508	0.1
59.04981	0.1
61.02923	0.5
67.01850	0.1
67.05511	0.2
68.99800	0.4
69.03423	1.6
70.06583	0.7
71.01345	0.3
71.04985	11.9
71.60136	0.1
72.08138	0.2
73.02905	1.1
75.04469	0.7
79.05463	0.1
81.03405	0.6
83.04973	3.2
84.08143	0.2
85.02895	17.9
86.09692	0.2
87.04476	0.7
89.06026	0.1
91.03973	0.1
91.05478	0.2
95.04967	0.7
97.02876	1.1
97.06520	0.3
99.04454	0.8
101.06006	0.2
103.03941	0.1
105.03371	0.1
107.04932	0.8
109.02867	0.7
109.06514	0.2
111.00802	0.4
111.04430	2.5
113.06000	0.2
117.05467	0.7
117.50756	0.1
120.08076	0.2
121.02850	1.9
121.06476	0.1
123.04467	0.1
125.06011	0.1
126.03154	0.1
127.03873	1.1
129.05463	4.9
129.10219	0.1
133.02853	0.4
137.02327	0.5
139.03862	0.1
145.04970	0.6
147.04370	0.5
147.06483	1.6
153.01808	2.3
153.02962	0.2
153.05397	0.7
157.05002	0.2
157.06468	0.2
159.06508	0.2
163.06038	0.7
165.01813	1.1
171.06517	0.4
183.02844	0.7
183.06464	0.2
185.05934	0.3
189.05443	0.2
195.06511	0.1
197.05980	0.2
201.07590	0.3
203.07024	0.2
207.71565	0.1
213.05492	1.1
213.07486	0.2
231.06516	0.4
239.09081	1.0
241.04900	0.7
257.10144	0.3
258.05246	0.8
259.06018	0.3
269.04410	0.2
275.11191	0.3
283.05597	0.1
287.05460	100.0
288.05844	0.8
299.05490	0.7
313.07132	0.1
329.06491	1.3
353.06454	0.4
379.08301	0.2
397.09024	0.6
413.08667	0.1
415.10153	0.4
431.09714	0.2
433.11169	1.1
449.10760	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01868	3.4
55.05500	3.1
56.05031	4.1
60.04524	1.9
67.05489	1.7
69.03408	1.8
69.07078	2.0
70.06592	39.3
70.83532	1.7
70.83865	2.1
71.06940	2.1
72.08147	8.1
74.06056	1.7
79.05482	4.9
83.04964	1.3
83.06115	1.8
84.04500	7.5
84.08133	12.2
86.09703	18.6
87.05586	2.6
87.10047	1.5
89.06023	5.2
91.05476	6.2
92.29917	1.4
95.04948	3.2
95.06088	2.1
97.02880	1.5
101.07178	1.4
102.05559	2.1
103.05470	3.1
105.07026	2.1
107.04952	100.0
108.05253	2.0
110.07150	5.5
115.05470	3.0
116.34943	1.2
117.07008	2.5
119.04947	3.1
120.05611	1.1
120.08119	5.5
121.06489	7.1
128.06255	2.0
129.07008	3.2
129.10239	4.2
130.04973	1.8
131.04922	22.5
132.05676	1.9
133.06473	5.1
133.08575	5.1
136.07597	2.8
141.06993	3.1
144.05678	5.6
145.06485	15.0
149.05983	2.4
155.08299	1.8
157.06482	7.3
159.07980	2.6
165.06934	3.2
166.07816	3.0
167.08496	1.7
169.06512	8.2
171.08034	5.6
177.03230	1.6
178.07729	2.3
179.08505	6.2
181.06473	4.7
181.10103	2.8
182.07220	2.1
183.08034	2.0
183.14920	1.9
184.07336	3.4
185.09448	1.8
186.12335	1.6
187.23770	1.4
190.07765	2.5
191.08571	8.7
191.98622	1.4
192.09421	1.4
193.10028	1.3
194.07286	10.3
195.07994	5.1
197.09644	3.1
207.08029	11.8
208.08659	1.9
209.09648	7.3
210.06734	3.9
217.10060	1.3
218.07404	2.3
219.08008	8.5
223.07545	4.5
225.09088	36.3
235.11084	2.3
236.08426	1.9
237.09099	75.0
239.10832	1.7
241.08539	2.3
245.09546	2.4
248.08334	1.6
249.09261	1.5
251.07043	5.7
251.10654	9.1
252.11098	1.3
253.08739	2.2
255.10143	13.7
261.09042	2.6
263.10742	17.0
265.12256	4.0
269.08093	4.5
271.09555	2.4
275.10605	4.1
277.12204	3.6
281.11719	4.2
289.12180	4.0
291.10828	1.9
291.13824	4.1
293.11569	2.0
295.13577	2.4
303.13651	2.6
321.14935	2.8
329.11560	1.7
335.12430	1.9
387.15744	1.8
405.17102	1.7
409.18100	1.8
423.17981	2.0
503.22067	3.4
515.22107	2.5
585.22491	1.4
732.31622	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74997	0.1
53.03940	0.9
55.01862	1.0
57.03426	0.7
58.74263	0.1
61.02922	0.7
65.03915	0.2
67.05464	0.1
68.99771	0.4
69.03423	4.1
69.40669	0.8
69.41077	0.2
70.06585	1.3
71.01311	0.1
71.04994	0.7
72.08125	0.3
73.02908	1.1
81.03411	4.5
83.06105	0.1
84.04504	0.3
84.08121	0.3
85.02898	7.7
86.09691	0.3
87.00292	0.2
87.00822	2.9
87.04456	0.1
91.03950	0.4
92.02604	0.4
93.03387	0.5
93.07043	0.1
95.04978	0.2
97.02277	0.2
97.02883	2.9
99.04443	1.4
103.03907	0.2
105.01858	2.0
106.48176	0.1
107.04947	0.5
109.02871	3.8
110.07098	0.1
111.04412	0.1
112.08698	0.1
117.01834	0.4
120.08060	0.2
121.02850	0.6
122.03658	0.1
123.04436	0.1
125.02320	0.2
127.03906	5.4
129.01810	0.5
129.10252	0.2
135.04390	0.1
136.07574	0.1
136.75955	0.1
137.05931	0.1
140.04666	0.7
145.04948	2.2
145.06186	0.1
147.02856	0.3
151.03885	1.0
153.05444	0.5
159.02882	2.3
159.04216	0.1
163.03934	0.2
167.03387	7.5
177.05333	0.1
179.03365	0.3
180.04112	0.2
197.04431	0.1
213.03894	0.2
215.06993	0.4
217.04959	0.4
228.04045	0.2
231.04933	0.7
231.06570	0.5
232.07309	0.6
233.04294	0.2
242.05711	1.0
243.06482	2.5
245.04352	0.5
256.03720	0.1
257.07980	0.2
259.06000	1.0
260.06757	1.4
268.48297	0.1
270.05142	0.2
271.05942	1.6
273.03989	0.2
275.09109	0.2
287.05423	1.8
288.06262	4.0
298.04642	0.4
299.05441	2.6
300.06085	0.2
315.05121	0.1
316.05750	11.8
317.06110	0.3
328.05536	0.1
331.08081	100.0
332.08435	2.3
343.08112	0.5
373.09186	0.5
397.09161	0.3
427.10254	0.2
439.10443	0.2
457.11182	0.1
462.40829	0.1
475.11972	0.1
579.13226	0.1
741.26593	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01850	2.0
55.05509	11.6
57.03432	7.3
57.07058	1.1
61.02892	0.7
65.03926	1.6
67.05499	38.4
69.03405	1.8
69.07056	11.2
70.16730	1.3
70.17104	2.4
71.04987	2.3
72.08123	1.3
73.02898	1.4
79.05488	30.9
81.03409	1.7
81.07050	37.7
83.04959	2.6
83.08612	8.0
85.02866	1.2
85.06536	1.0
87.04493	1.5
89.06015	5.4
91.05473	11.0
93.07035	42.3
95.04961	5.7
95.08599	43.1
97.02897	3.3
97.06514	2.8
97.10149	1.9
99.04439	2.1
105.07023	15.9
106.73553	0.7
107.04944	6.1
107.08586	27.1
109.06503	2.4
109.10145	9.9
111.04433	1.2
111.08094	1.8
113.09563	0.9
117.07016	8.6
119.08575	9.3
121.06514	3.9
121.10133	16.1
123.08051	1.0
123.11695	2.3
125.05965	2.2
130.07758	0.8
131.08549	4.5
133.08553	2.4
133.10109	4.0
135.08093	1.4
135.11681	34.2
135.24854	0.7
137.13219	0.7
139.07500	0.8
143.08577	1.1
145.09023	1.3
145.10110	20.1
147.11673	2.3
149.13229	2.1
159.11679	1.8
161.13130	1.4
163.11166	38.7
163.14778	1.0
173.09811	0.9
173.13211	1.3
177.11212	1.3
181.12195	7.1
209.11784	0.9
227.12759	50.5
228.13214	1.0
243.20988	1.7
261.22076	6.0
283.15366	48.2
284.15628	0.7
317.24683	2.1
335.25772	100.0
336.26196	2.3
356.34665	0.7
436.23206	0.7
444.49652	0.8
463.70319	0.7
540.79852	0.8
543.36774	72.0
544.36932	3.9
740.55212	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	740.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96776	1.0
53.03928	2.2
55.01858	1.9
55.05512	9.8
57.03435	7.0
57.07063	1.8
61.02912	2.7
61.82897	1.1
65.03920	1.2
67.05170	1.4
67.05503	24.6
68.05838	1.8
69.03415	3.3
69.07067	6.5
70.06573	3.0
71.04986	12.1
71.59936	1.6
79.05493	17.6
81.02975	2.1
81.03414	23.0
81.06574	2.2
81.07053	39.2
82.07372	1.3
83.04972	4.0
83.08612	11.3
85.02883	2.9
85.06528	4.2
85.35965	1.2
87.04443	1.1
91.03939	2.1
91.05473	18.4
93.07034	14.2
95.04967	14.7
95.08609	9.2
97.02876	3.4
97.06526	3.5
97.10143	4.6
105.07021	15.3
107.04955	12.5
107.08598	10.0
109.02823	1.4
109.06525	6.5
109.10152	7.7
111.04426	2.2
111.08075	3.6
117.06984	5.2
119.08557	8.2
121.06490	6.8
121.10180	6.4
123.04452	1.1
123.08069	3.3
123.11702	5.6
125.09609	4.1
129.07002	5.4
131.04887	1.6
131.08548	10.5
133.06459	3.3
133.10126	10.9
135.08040	2.9
135.11682	3.3
141.06961	1.6
143.08498	2.8
145.06499	2.6
145.10107	6.4
147.08014	3.8
147.11650	4.7
149.09618	3.4
149.13240	2.3
151.11172	3.5
157.10138	4.1
159.11652	2.6
161.09666	1.3
161.13255	1.0
163.11208	2.0
166.07327	1.1
169.10074	1.8
171.11678	2.5
173.11852	1.3
173.13174	2.7
175.11159	2.9
177.12788	1.7
183.11610	1.2
189.11191	1.5
191.14281	2.3
193.12221	6.2
197.13287	1.1
203.14235	1.5
207.13806	1.2
219.13760	3.2
243.15825	1.1
249.14735	1.9
267.15900	10.3
269.17499	2.1
275.19931	1.8
301.20123	2.5
325.21628	1.2
343.22601	6.5
351.23270	1.7
369.24277	1.5
387.25357	1.5
417.26129	3.6
425.26971	1.7
435.27475	15.2
443.27829	8.0
461.28973	100.0
462.29297	5.0
493.31769	6.5
631.48035	1.0
703.05798	1.2
722.43958	1.3
740.38605	10.6
741.39130	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	740.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.1
55.01863	2.1
55.05510	12.9
57.03438	8.1
57.07071	2.3
61.02921	1.3
65.03920	1.0
67.05502	42.7
69.03426	1.7
69.07065	12.0
71.04984	3.6
73.02905	2.2
79.05489	41.9
81.03414	1.1
81.07054	44.4
83.04983	3.5
83.08621	9.9
85.02903	1.0
85.06532	1.0
87.04440	1.1
88.07689	0.7
89.06021	3.0
91.05482	14.2
93.07039	51.7
95.04963	8.7
95.08603	53.4
97.02893	4.8
97.06528	4.3
97.10150	2.0
98.03165	0.8
98.20693	1.9
99.04467	3.6
105.07024	19.0
106.07342	0.8
107.04959	7.7
107.08590	37.0
109.06522	1.6
109.10150	11.8
111.04434	1.3
111.08086	1.2
112.31015	0.8
117.07002	10.4
119.08572	14.6
121.06516	6.0
121.10138	20.8
123.11691	2.7
125.05986	3.9
125.98714	1.0
130.07785	1.4
131.08545	4.7
133.08607	1.9
133.10146	6.3
135.08098	1.1
135.11685	54.9
139.07532	1.8
143.08565	1.1
145.10121	31.4
147.08064	0.8
147.11703	2.8
149.13258	3.5
153.12802	1.1
159.11742	2.2
161.13280	2.1
163.11172	58.7
164.11545	0.9
173.09654	1.3
173.13318	2.4
175.14818	0.9
181.12221	10.7
201.16359	0.8
209.11711	1.4
227.12767	88.0
228.13145	1.3
229.98361	1.2
243.21100	3.7
261.22156	8.2
283.15384	100.0
284.15744	2.1
317.24750	2.0
326.30548	1.6
335.25787	98.1
336.26160	3.1
543.36804	88.2
544.37134	4.9
671.73761	1.0
714.79865	0.9
722.53876	1.1
740.40582	0.9
740.54584	3.1
757.34064	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.5
54.42728	6.3
54.56886	5.9
55.01855	7.6
55.05513	33.7
57.03413	13.1
57.07057	19.2
57.39662	7.8
64.81050	7.4
66.19329	7.3
67.05499	83.9
69.03423	8.3
69.07066	52.0
70.06594	8.1
71.59735	7.0
71.60092	9.8
79.05489	79.7
81.07043	73.6
83.04964	21.9
83.08604	15.0
86.09663	19.4
87.04447	9.1
89.06017	24.0
91.05485	55.7
93.07036	51.5
95.04942	12.1
95.08595	50.1
97.06523	16.7
98.98454	10.4
105.07041	55.8
107.04935	27.7
107.08589	47.3
109.10148	27.9
113.00002	29.8
117.07043	18.5
119.08554	32.4
121.10122	26.5
124.99979	7.3
125.09605	10.3
128.06157	6.6
131.08553	19.2
133.08588	10.6
133.10133	24.1
135.11739	9.8
145.10121	20.1
147.11690	9.3
149.09616	21.1
159.11714	7.3
173.11746	12.1
184.07349	34.2
187.11090	9.4
197.07256	20.6
257.18982	8.4
275.20053	83.8
293.21194	17.0
294.09897	30.9
307.66693	8.9
335.25745	100.0
520.09033	8.3
543.37433	7.2
603.40887	7.6
739.38947	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	739.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95603	0.5
55.01847	0.5
55.05492	1.4
57.03414	0.6
61.02930	0.6
67.05505	3.5
69.03420	0.6
69.07048	1.1
70.04053	3.5
71.04967	0.5
71.60137	0.5
73.02907	0.6
79.05498	2.7
81.03412	2.1
81.07040	2.4
83.04975	0.5
85.02886	1.1
87.04456	0.6
91.05478	1.9
93.07043	1.9
95.04947	0.7
95.08606	1.7
97.02883	0.6
98.98497	0.6
105.07012	1.8
107.04897	0.8
107.08573	1.3
109.10140	1.1
119.08584	1.2
121.06513	0.7
121.10130	1.1
123.08054	0.5
125.09611	0.5
131.00214	0.5
131.08533	1.0
133.10138	1.1
145.10089	0.7
148.89365	0.6
149.01233	0.7
158.99821	0.6
171.11661	0.5
184.07329	0.7
193.53427	0.6
217.07457	0.9
227.12653	0.8
229.07509	1.2
247.08534	0.9
269.10687	0.6
283.15326	0.7
285.48102	0.6
293.05377	0.9
308.15271	1.6
313.99591	0.6
314.13416	0.5
315.24039	0.5
349.16873	0.9
447.15436	2.0
541.36292	0.6
567.25195	1.0
739.36560	100.0
740.36841	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
55.01864	0.9
55.05515	2.5
57.03442	2.4
61.02921	2.3
65.03947	2.5
67.05502	8.5
69.03422	1.9
69.07069	2.4
70.06590	2.4
71.05016	1.7
71.47698	0.7
71.59956	0.8
73.02911	0.9
74.86421	0.8
79.05497	7.3
81.03428	3.1
81.07044	6.8
83.04977	1.0
83.08637	1.6
85.02921	1.7
91.03972	1.5
91.05484	5.2
92.05009	2.0
93.05772	0.9
93.07047	6.2
94.06570	3.1
95.04974	3.6
95.07355	1.1
95.08627	2.9
96.08130	2.9
97.02920	2.5
97.06548	1.6
97.10162	1.4
100.42542	0.9
101.02371	1.1
105.07040	3.5
106.06557	19.5
107.04952	8.8
107.07381	0.9
107.08593	3.6
108.08109	9.8
109.02880	1.0
109.06524	1.3
109.10168	3.5
110.09688	4.3
111.04343	0.9
116.00351	0.8
117.07014	1.6
119.08590	2.7
120.04466	7.6
120.08104	3.7
121.06505	1.5
121.10151	2.0
122.06005	1.8
122.09673	1.0
125.09673	1.2
126.09134	0.9
127.03883	1.0
129.07062	1.0
131.08530	1.2
132.04471	1.0
132.08061	0.9
133.10158	1.6
134.05986	1.6
136.07559	9.0
138.05539	2.0
138.09152	6.6
145.10060	2.2
147.11775	1.0
148.03918	17.6
148.07568	10.8
149.09641	1.1
149.13240	0.9
150.05469	1.3
150.09155	1.1
152.07120	0.8
154.08617	6.2
157.10168	1.5
159.11705	1.0
160.07541	0.8
161.06100	0.8
161.09595	1.3
164.03450	1.9
164.07076	2.7
165.07930	1.0
165.09161	1.1
166.04993	10.8
166.08624	8.7
178.04980	7.6
180.10190	100.0
181.10484	0.8
197.08537	0.9
206.11545	0.8
210.09189	1.9
213.10251	2.3
224.10683	1.2
225.10231	2.2
227.11647	3.9
229.13396	1.0
239.11728	1.4
241.09795	1.4
242.11751	4.0
250.10973	0.8
251.11803	2.0
253.09694	1.1
255.11305	9.3
267.11197	4.5
267.15887	1.7
269.12936	1.0
271.10837	2.3
271.14304	1.0
273.12375	5.6
275.20154	1.0
279.11417	1.7
283.10818	2.6
285.12524	0.9
286.14365	8.8
287.13953	5.8
297.12231	5.0
299.10422	1.6
299.13956	2.6
301.11694	3.9
303.17047	15.5
307.10715	1.0
311.13995	2.3
315.13394	1.5
317.11319	1.9
327.13412	4.9
329.14978	3.9
331.12784	1.5
339.13486	2.2
371.14117	1.0
413.17563	0.9
450.20172	3.0
462.20316	3.1
464.21597	2.3
468.21335	3.3
476.21823	1.2
478.19669	1.3
480.21548	2.3
492.21262	9.7
493.22226	1.0
496.20795	1.9
510.22388	3.7
559.35999	1.6
575.29181	1.1
584.24219	2.0
601.26239	1.5
602.25018	31.3
615.27899	9.1
633.28894	5.0
635.81360	1.1
739.38385	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	739.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.1
54.88949	0.4
55.01876	3.5
57.03424	1.3
61.02935	2.4
65.03930	1.2
67.05505	0.6
67.97572	0.4
69.03431	7.3
70.06596	4.1
70.72461	0.5
70.72810	1.0
72.08147	1.1
73.02915	1.0
75.94247	0.4
79.05509	2.4
81.03413	3.1
83.04984	0.6
84.04495	0.6
84.08128	1.3
85.02906	11.7
86.09720	2.3
87.04462	0.8
91.05482	4.3
93.07055	0.6
95.04975	3.1
97.02884	4.3
99.04430	0.6
103.05479	2.7
104.10763	0.5
105.04513	0.5
105.07029	2.7
107.04952	100.0
108.05257	0.9
109.02877	0.8
110.07149	0.5
111.04424	0.8
115.05429	4.3
117.07023	5.7
119.04923	1.3
119.08601	0.7
120.08088	1.0
121.02867	17.9
121.06495	2.7
123.04420	1.2
124.99999	0.4
127.03912	1.9
127.05401	0.6
128.06255	3.0
129.06999	8.4
129.10243	0.6
131.04930	7.7
131.08589	2.9
133.06488	5.7
141.06993	3.6
143.08542	1.3
144.05692	2.0
145.06480	29.3
147.08022	4.0
149.05992	1.2
153.06989	1.3
155.06036	1.4
155.08583	1.5
157.06485	15.1
159.08055	6.0
161.05997	0.9
165.07011	2.9
166.07715	0.6
167.08611	0.9
169.06480	13.2
169.07822	0.9
171.08029	4.6
173.06026	4.5
175.07542	8.9
178.07753	0.9
179.08543	1.9
181.06497	1.7
182.07213	0.8
183.04594	0.5
183.08055	3.0
184.07362	1.6
185.06047	0.4
187.07506	1.0
189.07028	0.9
190.07831	0.5
191.08540	0.8
193.10104	1.0
194.07260	1.0
195.08075	3.0
197.05936	2.5
197.09630	1.3
199.07545	3.8
202.07732	0.9
203.08577	1.4
205.06561	0.7
205.08554	1.0
207.08080	3.4
209.05994	0.8
209.09659	0.5
209.33482	0.5
210.06789	1.6
210.64497	0.4
211.07536	19.3
213.09132	3.0
215.08583	1.2
218.07288	1.3
219.08084	2.1
220.08629	0.5
221.09714	1.9
223.07571	3.0
224.08327	1.1
225.09081	2.6
227.07005	1.0
231.08061	2.4
232.08768	0.8
233.09563	1.6
234.06787	1.2
235.07481	4.3
235.11154	0.6
236.08238	0.8
237.09145	4.2
241.08556	0.9
241.10855	0.5
243.08002	0.9
245.09602	1.7
247.07567	2.3
248.08379	0.6
249.09125	6.8
250.09888	1.3
251.10683	0.9
255.08128	1.0
257.09607	0.8
259.07373	0.9
261.09058	5.3
262.09872	1.3
263.10724	1.5
269.09607	1.0
273.09000	2.1
275.10553	0.8
281.09402	0.6
285.08838	0.6
287.10654	0.6
297.09100	1.1
303.11615	0.6
305.09506	1.0
306.10468	1.1
307.11157	1.0
310.09976	0.5
311.10733	1.0
311.14288	0.4
315.10355	0.6
318.10397	0.6
321.12729	1.0
322.09808	0.7
323.10605	0.9
324.11243	0.8
325.12241	0.6
335.10712	0.8
337.12228	1.5
339.10165	0.8
339.13861	1.2
341.11804	1.0
341.15598	0.7
343.13184	1.5
349.12247	1.6
351.10019	0.6
352.10947	0.6
353.11746	1.6
354.12210	0.6
355.13348	4.6
357.14853	13.6
365.11719	1.1
367.13284	4.5
369.14853	9.2
371.12650	5.5
373.14490	0.5
379.13098	0.8
383.12677	2.0
385.14273	1.4
387.13788	0.6
391.13300	1.0
393.14911	2.0
397.14044	0.5
405.14862	2.7
407.16388	1.0
411.16119	0.6
417.14670	1.5
423.15930	0.8
425.17490	1.2
435.15811	1.1
437.17618	1.0
498.89548	0.5
499.18823	1.6
511.19141	2.4
517.20227	6.1
523.18774	0.6
529.20129	8.1
541.20282	1.6
547.21130	16.1
548.21515	0.6
559.21210	6.3
577.22229	10.8
721.25201	0.7
739.27325	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	739.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
55.01858	1.8
55.05494	0.7
56.05026	0.7
57.03413	1.4
61.02907	2.0
65.03946	1.0
67.05484	0.7
69.03427	6.5
70.06591	7.5
71.59049	0.7
72.08140	1.5
73.02923	0.9
77.03887	0.6
79.05484	2.1
81.03417	2.7
83.04957	0.7
84.04508	1.6
84.08151	3.1
85.02427	1.1
85.02905	12.7
86.09719	3.2
87.04468	1.0
91.05468	4.9
93.07052	0.7
95.04967	3.0
97.02888	4.2
98.05983	0.6
99.04433	0.6
102.05539	0.7
103.05470	2.8
105.07037	2.8
107.04951	100.0
108.05278	0.9
109.02868	1.3
110.07173	1.2
115.05470	3.8
117.07025	6.0
119.04942	1.6
119.08578	1.3
120.08114	1.9
121.02862	16.6
121.06500	2.3
123.04446	0.8
127.03909	2.7
127.05495	0.5
128.06219	2.7
129.07013	7.8
129.10207	0.9
131.04921	6.7
131.08568	3.1
132.05606	0.6
133.06477	6.0
136.07472	0.6
141.06966	4.0
144.05685	1.1
145.06474	26.7
147.08041	4.2
149.05934	0.7
153.06967	0.9
154.07797	0.7
155.06068	1.6
155.08548	1.7
157.06474	14.1
159.08035	6.4
165.06987	2.7
167.08565	1.2
169.06487	12.6
169.07823	1.0
171.08063	5.1
173.05998	3.6
175.07536	9.8
178.07904	1.0
179.08606	1.8
181.06520	2.5
182.07343	1.1
183.08089	2.8
184.07365	2.4
187.07605	1.4
189.06982	0.6
190.07793	0.5
191.08562	0.9
193.06482	0.8
193.10124	1.3
194.07411	0.8
195.08063	1.9
197.05907	2.9
199.07549	3.7
202.07816	1.4
202.45839	0.5
203.08591	2.0
205.08574	1.1
205.10286	0.7
206.07169	0.7
207.08041	1.8
209.06093	0.6
209.09558	1.3
210.06750	1.2
211.07535	18.5
213.09074	2.9
215.08684	1.1
218.07173	0.7
219.08076	2.0
221.09639	1.3
223.07524	3.7
225.05635	0.9
225.09138	3.3
231.08052	3.1
233.09613	1.7
234.06610	0.6
235.07494	4.5
236.08228	1.1
237.09081	3.5
245.09692	1.1
246.19638	0.5
247.07552	1.8
248.08395	1.3
249.09093	5.9
251.06781	0.7
255.08141	0.7
257.09641	1.0
260.08377	0.5
261.09033	4.1
262.09836	0.9
263.10620	1.2
265.08420	0.6
273.09155	2.5
274.10471	0.5
279.10175	0.8
285.09293	0.8
287.10699	1.1
294.10223	0.6
303.10431	0.6
305.09415	0.9
311.10599	0.9
321.09262	0.8
323.10614	1.3
325.12146	0.8
329.11429	1.0
334.09814	0.8
335.10837	0.7
336.11288	0.8
337.12289	1.3
339.10107	0.6
339.13824	1.2
341.11685	1.0
341.15543	0.7
343.13275	2.0
347.10455	0.8
349.12280	1.3
351.13702	0.7
352.10983	0.7
353.11899	1.4
355.13199	3.8
357.14944	12.3
365.11536	1.4
367.13229	5.9
369.14896	7.3
371.12769	5.7
373.14389	1.1
379.13281	1.7
381.15036	0.6
383.12689	2.1
385.14359	1.3
393.14798	1.6
405.14847	2.2
407.16507	1.0
417.14929	1.8
419.16452	0.6
435.15781	0.9
437.17816	0.9
487.19073	0.9
499.19025	1.9
511.19217	3.1
517.20178	6.0
523.18774	0.7
529.20081	7.9
541.19843	1.2
547.21161	15.1
548.20886	0.8
559.21185	6.7
577.22144	9.2
739.27356	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	737.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79627	0.2
55.01850	0.2
56.96563	0.1
58.58499	0.2
60.04520	0.2
61.69900	0.2
65.03951	0.2
67.05489	0.3
69.03411	0.3
69.07063	0.2
70.06594	1.4
71.21172	0.4
72.08146	0.4
73.02906	0.2
79.05485	0.4
80.36082	0.2
81.03403	0.3
81.07031	0.3
84.04479	0.2
84.08128	0.6
85.02886	0.5
86.09692	0.9
89.03922	0.2
91.05450	0.5
91.96673	0.2
93.07023	0.6
94.06556	0.7
95.04947	0.3
95.07343	0.6
95.08595	0.3
96.08130	1.4
97.02903	0.3
106.06515	0.4
107.04944	2.0
108.04485	0.5
108.08102	0.9
110.07143	0.3
110.09677	2.1
116.04974	0.5
118.06555	0.4
120.04421	0.2
120.08102	2.2
122.06028	0.7
124.07566	0.6
134.05983	0.4
136.07571	1.5
138.09122	3.3
144.04451	1.8
146.06003	6.1
148.07541	0.7
162.05528	0.9
164.06950	0.2
166.08636	8.6
172.03932	6.9
184.07620	0.2
190.04980	21.3
196.07611	0.2
196.11200	0.3
197.08395	0.3
197.10835	0.2
198.09097	0.9
199.09918	3.0
200.10727	0.9
211.09903	0.6
212.08780	0.3
212.10713	5.0
212.12758	0.3
213.11461	1.3
226.12289	1.9
239.09393	0.5
239.11610	0.2
251.11879	0.3
253.13467	0.3
254.11739	3.0
257.10455	7.9
257.12677	0.4
260.12961	0.2
261.10291	0.2
263.11972	0.2
271.12103	0.9
271.14413	1.0
272.12790	100.0
273.13092	1.0
281.12796	0.6
285.12283	0.3
289.15500	0.2
297.12326	0.5
299.13885	6.6
299.17310	0.4
311.13763	0.3
315.13315	0.4
316.06238	0.2
317.06744	0.3
325.11856	0.4
327.04932	0.2
337.51248	0.2
343.12912	2.1
393.18057	1.5
395.19543	0.5
434.21057	0.2
450.20084	0.2
464.21918	1.0
490.19876	0.5
522.07758	0.2
587.28680	0.4
613.26318	0.6
693.27661	0.2
736.41040	0.2
736.92352	1.1
737.25714	0.7
737.40784	0.3
737.91675	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88281	1.7
53.03928	5.3
55.01864	11.2
55.05259	2.2
55.05505	33.9
57.03428	16.2
57.07056	4.4
59.04980	3.5
61.02923	31.1
65.03910	5.5
67.05499	72.5
68.05813	1.6
69.03416	23.7
69.07061	28.0
71.01354	2.0
71.04987	17.1
71.08616	1.4
71.59157	1.7
73.02914	13.2
79.05486	55.1
81.03410	23.1
81.06573	3.5
81.07044	65.9
83.04964	11.1
83.08606	22.4
83.60398	1.9
85.02892	24.7
85.06520	6.4
86.09737	2.9
87.04456	3.9
91.03961	14.0
91.05470	53.9
93.06467	3.9
93.07034	60.8
95.04969	14.5
95.08041	3.1
95.08598	43.1
97.02876	21.8
97.06494	8.8
97.10154	19.2
99.04437	3.5
99.08057	4.3
101.02358	2.3
103.05389	2.0
105.07021	48.7
107.04922	12.3
107.08580	34.7
109.02850	4.8
109.06521	9.9
109.10145	28.0
111.04419	3.7
111.08076	6.9
115.05424	5.0
117.07010	28.1
119.08560	37.5
121.06490	6.6
121.10130	21.4
123.07283	2.0
123.08049	9.5
123.11697	6.9
125.09600	16.2
127.03876	6.5
128.06198	7.7
129.05467	3.1
129.06996	21.1
130.07782	4.0
131.08556	40.8
133.06425	4.1
133.10121	28.5
135.08073	9.0
135.11678	12.4
137.05974	4.5
137.09566	6.5
139.11218	2.1
141.07002	8.4
142.07758	7.2
143.08548	25.9
144.09338	2.2
145.06467	4.8
145.10107	33.4
147.08011	7.2
147.11665	15.6
149.09575	7.8
149.13232	5.8
151.11174	5.0
153.07028	2.0
154.07771	3.5
155.08531	15.6
156.09358	3.7
157.10120	22.9
158.10846	2.2
159.08032	5.7
159.11687	25.4
161.09598	7.3
161.13258	6.7
163.11150	5.7
165.06900	2.7
167.08574	5.9
167.10632	3.8
169.10091	19.0
171.07928	2.4
171.11656	20.1
173.04379	2.9
173.09575	8.2
173.11850	3.1
173.13234	12.9
175.11179	6.1
175.14787	4.9
179.08539	4.1
180.09410	1.8
181.10069	12.2
183.11678	15.4
185.09650	2.8
185.13187	15.1
187.11111	4.2
187.13335	2.2
187.14818	5.4
189.11118	8.2
189.12692	3.2
191.10565	2.4
193.10197	3.3
193.12209	4.3
195.11653	7.8
197.09616	2.3
197.13249	12.3
199.11118	2.3
199.13127	2.8
199.14806	5.9
201.12737	4.2
201.16461	1.9
203.14351	2.0
205.10132	3.5
207.11649	5.9
209.13312	10.8
211.11304	1.8
211.13092	2.9
211.14819	4.7
213.12730	2.9
213.16412	2.4
217.15971	2.2
221.13246	5.0
223.14766	4.4
225.12807	2.1
225.16428	3.0
227.12683	14.7
229.14197	2.1
233.13284	2.5
233.15408	2.7
235.14777	2.9
237.16341	2.4
241.19405	3.1
247.14926	2.7
263.18079	2.7
267.15839	2.4
271.20316	3.2
273.18484	7.7
275.20001	9.2
283.20551	5.4
285.22144	6.0
287.19925	2.3
291.19547	8.1
297.22086	4.3
299.23624	9.6
301.21597	2.0
309.21985	3.3
315.23077	2.3
321.22003	2.3
325.21707	2.1
327.23206	2.3
337.21671	3.5
349.23752	3.0
353.24768	2.4
357.23959	2.1
383.25558	2.3
415.29819	4.2
421.25528	2.3
433.30957	21.7
443.27695	5.8
451.32129	13.7
469.33069	6.2
471.32843	2.9
499.33966	3.5
507.34650	9.4
515.36835	2.8
517.35297	30.2
525.35730	78.0
525.75220	2.0
539.36786	3.3
543.36749	100.0
544.37024	3.8
557.38531	23.6
575.39496	34.8
602.60236	2.2
669.39838	2.8
679.40381	3.8
687.40631	5.0
705.41669	3.3
719.41602	2.8
737.35577	6.4
737.48938	8.7
738.35400	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	737.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34673	0.6
53.03948	1.1
56.08990	0.6
56.96562	9.8
68.30887	0.6
68.96574	0.7
70.06596	4.9
71.59474	1.2
74.81259	0.6
79.05494	1.4
81.03371	1.0
81.29446	0.6
84.96042	1.6
85.02905	1.0
95.04955	3.1
97.02902	1.0
98.97575	79.6
99.18884	0.8
107.04948	100.0
108.05313	3.0
110.97603	2.0
116.98615	74.0
120.08089	1.1
123.04436	2.2
123.78819	0.6
128.98605	4.4
130.18050	0.6
131.00179	1.1
134.99649	40.3
140.00189	3.2
143.00148	2.1
143.01897	1.2
145.01756	0.8
146.99615	4.9
147.03290	1.3
149.01295	0.8
150.99149	1.7
153.00755	4.0
158.01224	1.8
158.05655	0.7
158.99646	49.6
161.00012	0.8
161.01187	4.5
161.03012	1.4
162.99153	0.9
163.02817	1.3
165.00745	1.1
165.04350	0.9
169.01712	1.3
170.99625	2.9
174.99109	1.4
177.00705	84.4
179.02325	0.8
185.01262	0.6
187.02803	2.9
189.00717	3.8
189.04344	3.7
191.02257	0.7
193.00200	3.4
195.01784	7.3
197.01230	1.1
200.02348	4.8
201.00731	3.3
205.03796	1.1
207.05476	0.8
210.08775	1.2
213.00647	1.3
215.02206	2.9
216.98100	0.7
217.00180	1.3
219.01750	29.8
223.02774	1.5
231.01967	0.7
233.03296	19.6
234.98976	3.0
235.01096	1.0
237.02800	30.9
239.02182	0.8
243.01707	1.1
244.99176	0.6
251.04434	6.6
255.03897	2.9
260.04449	0.7
261.02701	3.3
273.03030	1.1
273.12015	2.9
275.04373	16.6
277.02292	1.2
279.03870	8.7
289.05859	1.5
292.99500	0.7
293.05453	1.7
295.03336	7.1
297.02744	0.6
303.03802	1.7
307.07205	3.5
313.04352	3.7
319.08627	0.9
321.04990	3.7
333.04874	1.9
335.06479	14.8
337.04538	1.2
353.03833	5.1
353.07568	45.3
363.05978	10.2
376.08932	3.4
381.07013	4.5
383.06281	4.4
391.16769	0.9
395.08780	2.2
411.08096	13.3
437.09460	1.0
439.07553	14.3
441.10327	19.0
469.12320	30.4
479.10529	2.5
483.04904	0.8
483.11713	13.9
485.09412	1.0
497.11761	12.8
501.12747	2.8
513.12476	0.7
545.11700	13.2
603.16138	6.8
631.17554	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	6.6
57.03429	3.7
67.05507	21.4
68.31091	0.8
69.07058	6.5
71.31430	1.7
79.05487	8.9
80.95685	1.1
81.07059	17.0
83.08650	1.8
83.14192	0.9
85.05279	2.4
91.05471	4.2
93.07047	9.5
95.04945	1.3
95.08612	12.9
97.10188	1.4
98.06056	10.2
101.41492	0.8
105.07026	3.4
107.03728	0.8
107.08610	4.4
109.10157	3.5
112.07630	1.3
119.08598	2.8
121.10120	3.2
123.11717	1.3
125.64618	0.9
126.09077	1.0
133.10152	1.3
135.11673	2.0
136.48283	0.9
142.60579	0.9
151.78629	0.8
177.65617	0.9
208.16925	1.2
212.40132	0.9
300.07034	0.9
304.26337	100.0
305.26761	2.3
309.22113	0.9
335.25787	39.2
505.83710	1.0
516.74646	1.3
703.84198	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05897	1.2
53.03949	1.4
55.05499	2.0
67.05490	5.2
69.03449	1.0
69.07065	1.3
70.06583	2.8
71.59456	1.0
79.05479	3.6
81.07033	2.1
85.02878	1.6
86.80845	1.1
91.05479	3.0
93.05793	3.7
93.07033	3.4
94.06583	4.2
95.00438	1.1
95.04952	3.4
95.08579	1.2
96.08119	3.6
105.07040	3.4
106.06529	1.6
107.04951	36.8
107.08617	1.3
108.08113	27.5
108.08847	2.0
109.10151	1.9
110.09657	3.1
112.98495	1.0
117.07011	1.4
119.08604	1.8
120.08097	3.7
121.06489	1.5
121.10110	1.1
122.06049	1.3
124.07632	1.6
131.08521	1.7
133.10152	1.4
136.07574	32.5
137.05934	1.4
138.09128	5.3
148.07632	2.2
152.07129	1.8
160.03920	1.1
162.05588	1.1
164.07086	7.1
166.08644	11.1
167.09016	1.2
174.09152	2.9
184.07359	1.1
199.08662	2.3
204.10223	2.6
211.08673	3.7
212.09375	1.4
213.10196	3.1
223.08746	1.9
224.09282	1.3
225.10226	3.4
226.12204	1.6
227.08069	5.4
235.08620	1.8
237.10245	4.1
238.10896	1.4
239.08122	2.7
239.11780	3.2
241.09718	2.5
244.13295	9.4
249.10219	4.6
251.08180	3.5
251.11607	2.0
252.08937	1.6
253.09784	7.7
255.11320	5.1
257.09210	4.7
258.11221	7.0
261.10214	2.2
263.08182	1.2
263.11713	1.5
265.09705	5.3
266.10452	2.3
267.11328	4.2
269.09265	1.4
271.10733	1.5
272.12900	5.2
277.09610	3.6
279.11401	6.0
283.10663	2.0
287.10275	2.8
288.11328	2.3
289.09299	1.2
289.12222	5.9
290.12958	2.0
295.10727	1.3
299.10269	4.2
301.12366	1.6
302.12784	3.8
303.11060	2.3
303.14212	1.6
305.09561	1.5
305.12637	4.9
311.10049	1.1
314.12997	3.8
315.13635	3.0
316.10999	1.5
316.14606	2.5
317.12750	9.3
318.13019	3.3
320.11392	2.5
326.12994	1.2
328.14691	1.4
329.11914	1.5
330.12421	6.9
331.13275	4.9
332.14005	2.1
333.12302	11.8
341.11990	1.3
342.12299	2.9
343.13309	3.1
344.14008	3.2
345.11987	1.6
348.11050	1.3
349.11761	1.9
355.14056	2.3
356.14111	2.4
357.11905	1.4
359.12286	5.4
360.13327	2.2
361.11578	2.6
362.15027	2.8
363.13278	4.7
367.13254	1.3
368.13995	2.8
370.15762	1.3
371.12616	7.2
373.14432	1.3
375.12872	1.8
376.12662	2.3
380.13776	1.6
382.15598	1.9
383.13577	2.7
385.15295	2.7
386.14993	1.9
389.14059	1.7
390.14334	8.1
392.13724	4.4
393.14542	2.9
394.15359	2.0
395.16364	2.3
398.15155	1.6
400.16470	4.1
401.15393	1.5
402.18277	2.3
405.14670	3.3
406.14478	1.6
408.17084	3.6
409.17996	2.4
412.16562	3.8
414.14673	1.5
417.16934	2.4
418.17810	7.0
421.17712	1.7
423.15280	1.7
424.16428	2.7
428.15836	4.7
430.17212	3.3
432.15393	1.3
435.16071	1.9
436.16547	8.3
437.17438	2.9
438.18311	5.4
440.19757	1.4
446.16928	3.7
449.15521	1.9
450.16757	11.6
452.19781	2.5
456.15527	3.8
460.16479	1.6
463.18933	1.3
464.18277	4.3
465.16531	4.8
466.17569	3.2
468.19235	9.2
469.19452	1.2
474.16556	11.0
477.16122	2.4
478.16895	5.9
481.16000	1.5
488.19684	1.4
490.19974	1.2
496.18600	28.1
497.18771	2.6
506.19681	12.4
508.22238	2.5
522.18866	6.1
523.19678	6.8
524.20282	36.3
525.21802	1.7
534.20135	3.8
536.21729	8.1
538.19342	5.0
552.21136	4.2
556.20740	38.0
557.21417	5.4
562.19678	13.5
569.21259	3.4
570.22070	7.2
580.20770	100.0
581.21027	5.0
612.23254	12.5
629.23633	40.9
630.24414	62.6
630.34979	2.6
631.24518	2.2
676.25897	1.6
687.68610	1.2
736.42242	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	13.8
55.01872	22.8
55.05502	37.0
55.36753	2.4
57.03433	16.6
57.07061	3.2
59.04984	2.5
61.02927	14.4
61.19533	2.4
65.03931	8.0
67.05502	91.9
69.03425	18.2
69.07062	32.8
69.34483	23.5
71.04981	10.6
73.02923	5.3
75.16539	2.4
79.05489	100.0
81.03413	34.2
81.07051	98.8
83.04983	24.0
83.08627	18.2
85.02892	16.8
85.06531	5.7
87.04473	3.3
89.06044	3.1
91.03943	3.1
91.05475	92.1
91.93411	2.4
93.07040	94.2
95.04963	35.4
95.08605	50.7
97.02896	12.4
97.06523	35.2
97.10152	18.9
99.04433	3.2
103.05470	3.5
105.07024	86.6
106.07370	2.5
107.04952	24.3
107.08591	44.9
108.05256	2.1
109.02861	8.1
109.06530	13.1
109.10146	19.2
111.04400	5.2
111.08045	5.5
115.05441	5.3
117.06996	25.0
119.04950	3.2
119.08574	47.7
121.06502	10.9
121.10139	18.6
123.04453	2.8
123.08060	10.4
123.11664	3.9
125.05901	3.8
125.09654	13.5
127.03892	7.0
128.06281	4.7
129.06979	25.5
131.08553	27.7
133.06447	6.6
133.10120	36.9
135.08063	9.0
135.11726	14.1
137.09579	7.9
139.72639	2.4
141.06981	4.1
143.08554	15.5
143.20747	2.4
145.06500	7.5
145.10129	33.9
147.08058	5.9
147.11678	47.1
149.09622	22.6
149.13239	6.7
151.11160	2.9
155.08559	3.2
157.10175	9.0
159.07988	3.4
159.11699	12.7
161.09604	9.3
161.13243	16.0
163.11200	9.7
169.10118	4.5
171.11655	31.8
173.04436	8.9
173.13269	6.4
175.27544	2.6
177.12724	6.0
183.06470	2.4
183.11685	7.2
185.09595	2.3
185.13297	4.0
187.11130	3.7
187.14810	3.6
189.11160	6.7
189.12714	12.9
197.13179	4.4
207.13766	24.6
227.12769	25.3
228.28453	2.7
239.17949	3.6
247.20569	5.0
257.18979	14.1
267.15866	2.9
275.20047	60.4
279.15686	3.7
281.17432	67.0
291.19571	3.7
293.21124	3.5
299.20016	2.7
331.22900	3.7
344.26007	2.7
349.23734	28.5
349.27664	4.1
377.23215	7.5
401.23282	2.5
419.23993	2.6
451.26923	10.4
459.30829	6.7
475.30582	36.8
485.15396	2.8
537.35718	5.8
555.36755	50.8
573.38062	12.5
619.34894	7.9
735.33392	32.9
757.62469	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	733.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
55.05498	3.2
57.03429	5.7
58.99573	4.0
62.06085	6.2
62.56644	1.3
67.05500	3.9
69.03446	1.4
69.07060	1.5
70.02903	1.3
70.06586	19.3
71.05000	1.3
71.06861	1.1
71.58591	1.8
72.08154	4.4
74.06096	1.4
76.01816	2.2
76.02220	20.5
79.05488	5.7
81.03417	40.9
81.07040	5.2
82.06557	1.9
83.04955	2.1
83.06072	1.4
83.08615	9.2
84.04496	11.5
84.08131	6.7
85.02901	2.3
86.09689	5.1
88.52708	1.1
91.05475	7.9
93.07035	3.6
95.04967	10.6
95.08592	2.4
98.98455	4.2
105.07005	4.2
106.06560	1.6
107.04929	4.0
107.08566	1.4
109.06511	2.0
109.10110	1.7
110.07169	2.4
111.08064	3.6
115.08743	1.5
116.01678	6.0
119.08567	5.2
120.08109	2.6
121.87142	1.3
129.06999	2.8
129.10231	3.3
130.04997	4.2
131.08575	3.1
133.06479	1.3
133.10030	1.9
134.18651	1.2
136.07712	1.2
142.03218	4.1
142.07724	1.4
144.01138	2.5
147.08089	2.0
147.11620	3.5
149.09666	2.3
157.10118	4.4
162.02191	13.0
165.12839	1.6
175.11134	3.5
179.04889	13.2
193.12215	12.1
198.05118	1.4
218.15428	6.0
233.05873	3.9
236.16449	10.6
245.05882	1.5
267.15921	100.0
268.16318	1.6
308.09100	23.3
316.13104	2.3
334.14188	1.7
347.12524	2.6
390.16721	15.5
408.17801	34.2
574.24316	2.3
735.87543	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.1
54.00671	0.1
55.01853	0.2
55.05492	0.4
57.03422	0.2
61.02922	0.1
67.05500	1.4
69.03407	0.3
69.07047	0.4
70.05927	0.7
70.06570	0.2
71.04998	0.1
77.03941	0.1
77.81342	0.1
79.05489	1.1
81.03419	0.6
81.07040	0.9
83.04979	0.2
83.08610	0.3
85.02880	0.4
86.09718	0.1
89.03919	0.3
91.03941	0.1
91.05482	0.9
93.07050	0.9
94.06534	0.2
95.04954	0.6
95.08591	0.6
97.02851	0.2
97.06506	0.3
99.08093	0.1
105.07026	0.8
106.06570	0.2
107.04941	2.0
107.07349	0.2
107.08607	0.4
108.08115	1.2
109.06535	0.2
109.10120	0.6
111.04401	0.1
116.04964	1.5
117.07018	0.3
117.65170	0.1
118.06539	0.2
119.08553	0.3
120.08109	0.8
120.08904	0.2
121.06472	0.1
121.10127	0.3
122.09647	0.3
124.07561	0.2
124.46951	0.1
129.06985	0.3
131.08525	0.4
132.08141	0.3
133.06439	0.1
133.10112	0.3
135.07977	0.2
135.11722	0.3
136.07561	0.4
143.08560	0.2
144.04430	3.6
145.10123	0.4
146.05980	1.3
147.11693	0.2
148.07510	0.2
149.09573	0.3
150.09135	1.2
155.08575	0.2
159.11671	0.2
162.05482	1.7
163.11102	0.2
166.08653	1.1
171.07985	0.2
171.11607	0.2
172.03923	17.1
173.13245	0.1
174.05486	0.4
184.07469	0.2
190.04988	0.4
195.07996	0.2
196.07574	0.2
196.11247	0.3
197.08330	0.7
198.09135	1.4
199.09912	3.0
200.10689	0.8
204.06548	21.5
210.08969	0.2
211.09901	0.5
212.10686	5.4
213.11449	1.5
213.13817	0.9
225.13802	0.2
226.12265	2.5
227.12750	0.2
229.14268	0.4
239.09399	0.4
241.13187	0.2
253.13393	1.1
254.11761	2.5
257.10449	7.6
265.47046	0.2
271.11987	2.2
271.14453	0.2
272.12784	100.0
273.13171	0.9
273.18359	0.3
275.20007	0.2
281.12778	1.1
281.17596	0.2
289.15231	0.2
291.19556	0.3
293.12769	0.2
297.12350	0.2
299.14154	0.2
309.12311	0.8
313.15393	0.6
327.13373	0.5
337.11752	0.2
341.14944	8.5
375.84711	0.1
393.17990	3.1
395.19662	0.3
405.17850	0.4
474.20300	0.2
580.24243	0.3
597.26819	0.5
612.25757	0.3
717.37128	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41840	0.5
56.96568	33.7
59.66829	0.5
60.99211	0.5
63.62457	0.5
65.90857	0.5
70.06580	0.7
70.97318	1.0
70.97656	1.1
71.95246	2.7
72.96033	0.9
74.97600	1.2
76.02812	0.5
79.05472	1.3
84.96023	1.3
86.09691	0.9
97.96870	0.6
98.11589	0.6
109.06466	0.6
110.97613	1.0
123.01167	1.0
128.98602	2.1
133.01755	0.6
137.02750	0.7
141.02184	1.6
146.99648	5.0
147.03282	1.6
149.93616	0.6
153.02251	0.8
155.03806	2.7
157.01665	1.0
159.03267	0.8
161.01234	0.8
165.00772	1.0
165.04443	0.8
167.03799	1.4
169.01730	2.0
169.05357	1.0
171.03271	2.3
173.04860	2.0
177.04475	0.8
181.05345	0.8
183.03326	1.0
184.07315	1.4
185.04863	1.9
187.02763	2.1
189.04314	2.4
191.05933	1.0
195.06906	1.0
197.04861	1.1
199.06442	2.8
201.04269	1.3
203.05902	3.0
207.06996	1.1
211.06433	1.6
213.04210	0.6
213.07957	2.0
215.05896	0.7
217.07399	4.1
221.08521	2.0
223.02768	0.8
223.06464	1.2
225.08006	1.6
227.05869	0.7
227.09599	1.0
229.07292	1.2
231.09077	2.4
233.08598	1.4
235.06335	1.3
235.09999	0.7
239.09535	4.5
241.07449	1.3
241.11104	1.7
243.08986	1.5
245.10539	1.1
247.10066	0.9
249.08026	1.3
251.09569	5.8
253.11098	1.1
255.09030	1.4
257.10672	3.5
259.08380	0.8
259.12234	1.5
263.09457	2.7
265.11108	2.1
267.09055	1.0
269.10638	4.5
271.12231	1.2
275.09702	1.1
275.13058	1.0
277.11148	10.1
279.12772	1.9
281.10593	12.3
283.12039	1.6
289.11078	1.5
291.12637	6.6
293.10773	1.0
293.14288	1.4
295.12167	4.7
297.13742	1.4
299.11658	10.5
300.12808	1.2
303.16391	0.9
304.12161	1.6
307.12091	1.2
309.13760	5.1
311.15329	1.0
313.14633	1.1
319.15842	0.8
325.13184	0.9
327.14743	1.4
329.14191	3.2
331.15784	47.4
332.15787	1.9
337.13104	5.3
347.15317	5.8
349.16858	100.0
350.17114	2.2
355.14185	1.5
365.16382	2.8
367.17905	28.7
370.16919	0.7
372.18454	13.1
385.18994	0.8
390.19458	5.0
393.19620	1.2
405.19641	1.7
423.15097	1.2
423.20514	17.9
713.38995	1.6
731.40533	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.6
70.06599	3.6
71.58828	0.6
72.08144	1.1
84.08149	0.6
86.09689	2.1
101.02354	0.4
107.04967	2.3
108.44083	0.5
117.07023	0.5
129.10329	0.5
133.03465	0.6
136.07629	0.6
172.95221	0.5
177.20702	0.4
183.11729	0.5
184.07405	0.9
185.04243	0.9
190.96260	0.5
203.05370	2.1
230.65103	0.5
259.08017	1.6
285.38046	0.4
315.18423	0.6
323.23587	0.4
329.08466	0.5
333.19330	1.4
345.11621	0.6
347.09555	2.8
347.22263	1.1
363.09222	0.8
365.10544	5.4
407.24130	1.4
421.13159	2.4
493.15540	1.5
511.25290	0.7
551.28259	1.7
569.29333	13.5
652.95746	0.5
673.30151	0.7
677.38922	0.4
731.34564	100.0
732.34955	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	731.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37558	0.3
55.05523	0.4
57.03427	0.3
61.02926	0.8
67.05502	1.7
69.03410	0.5
69.07048	0.5
70.06575	1.3
70.91473	0.3
71.04987	0.4
71.59445	0.3
71.59899	0.5
72.08147	0.3
79.05489	1.0
79.97056	0.3
81.03423	0.7
81.07047	1.2
83.08630	0.5
84.08160	0.7
85.02897	1.2
86.09715	0.6
89.05994	0.4
89.44403	0.3
91.03970	0.8
91.05480	1.3
93.07049	0.8
94.06563	0.4
95.04973	0.4
95.08599	0.5
95.40182	0.3
96.81279	0.3
97.02908	0.5
98.05997	0.3
105.07037	1.0
107.04948	1.9
107.08603	0.5
107.43603	0.4
109.10172	0.6
110.07195	0.4
119.08577	0.4
120.08123	0.5
120.08946	0.3
121.06504	0.3
121.10139	0.5
121.56404	0.3
127.03954	0.5
133.08586	0.4
133.10136	0.4
133.96498	0.4
135.11870	0.3
137.05916	0.4
147.08089	0.3
147.11713	0.4
163.11136	0.3
164.85670	0.3
173.02954	0.4
185.04216	0.9
203.05321	1.9
249.04649	0.4
253.12976	0.5
259.07986	2.2
271.13968	0.4
275.07556	0.3
305.08139	0.4
331.10077	0.8
333.20117	0.4
347.09482	1.6
363.09042	0.4
365.10590	3.1
367.17926	0.5
407.24036	1.4
421.13223	1.9
457.20462	3.8
471.21890	3.7
487.21774	1.2
493.15604	1.1
569.29242	12.8
570.29230	0.3
596.32166	0.4
619.25720	1.1
633.27411	1.1
641.31287	1.0
713.32758	0.4
731.34546	100.0
732.34741	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	731.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02345	0.2
52.35536	0.2
53.03921	0.6
55.01846	0.4
55.05484	0.6
56.01625	0.2
56.72435	0.2
56.96551	0.2
57.03428	2.0
61.02889	0.9
67.05503	1.2
69.03431	2.0
69.07027	0.3
70.06583	3.1
71.04989	9.8
71.42643	0.6
72.08130	0.4
73.02874	0.8
75.04465	0.6
76.02212	0.5
79.05461	0.8
81.03411	2.1
81.07075	1.1
83.04944	0.8
83.08579	0.5
84.04499	0.4
84.08118	0.5
85.02899	13.3
86.09665	0.7
87.04440	0.6
91.03961	0.6
91.05427	0.9
93.07005	0.7
95.04926	0.7
95.08566	0.8
96.25082	0.2
97.02889	2.0
98.06034	0.5
99.04429	0.9
101.02405	0.3
103.03998	0.2
105.06988	0.5
107.04945	3.1
107.08546	0.4
109.02826	0.7
109.10109	0.3
109.71457	0.2
110.07086	0.3
111.04408	0.5
112.08578	0.2
116.07039	0.4
117.07014	0.3
119.08533	0.4
120.08076	0.4
121.02084	0.3
121.02830	1.4
121.06460	0.4
121.10120	0.5
123.04401	0.5
126.05452	0.3
127.03862	0.8
129.05460	2.8
129.10286	0.2
131.08533	0.5
133.10037	0.5
137.02332	2.7
139.03862	0.3
141.06966	0.5
145.04941	0.7
147.06487	0.4
147.11581	0.3
149.01273	0.4
149.02335	4.0
153.00705	0.3
156.04774	1.5
167.03485	0.4
169.06435	1.6
173.05856	0.2
173.07378	0.5
175.11171	0.3
184.04253	0.7
187.07555	1.2
197.04405	0.4
197.05960	2.3
213.12318	1.4
215.07008	1.4
225.05420	1.3
243.06430	2.2
243.08481	0.4
245.04437	0.4
253.04996	0.5
271.05948	1.3
285.10080	0.4
286.01822	0.2
286.04681	1.7
299.05478	19.2
300.05798	0.6
310.17316	0.5
314.04141	3.8
317.06512	0.9
329.06525	100.0
330.06949	1.3
396.15817	0.7
413.18378	0.4
423.10712	40.2
424.11249	0.5
471.21985	0.6
485.19693	0.4
501.23050	1.0
519.22620	1.1
625.27051	0.6
641.31152	0.7
713.33911	0.3
730.34650	0.3
731.37628	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	731.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03008	0.2
53.03920	0.4
55.01849	0.3
55.05492	0.2
57.03437	1.8
59.17314	0.2
61.02886	0.6
65.06139	0.2
68.92566	0.2
69.03415	1.3
70.06550	0.5
70.24553	0.6
71.04987	9.8
73.02888	0.4
75.04433	0.5
76.43085	0.2
81.03444	0.9
83.04984	0.9
83.05374	0.2
85.02898	12.9
86.09657	0.2
87.04434	0.4
91.03915	0.2
91.05481	0.2
93.11298	0.2
95.04934	0.3
97.02884	1.3
99.04415	0.2
107.04958	1.5
109.02848	0.4
111.04399	0.4
119.65654	0.2
121.02884	1.0
123.04353	0.3
127.03894	0.4
129.05463	2.3
135.04370	0.5
137.02328	6.8
137.03374	0.4
137.05943	0.2
141.06955	0.2
145.04909	0.5
147.06483	0.6
149.02344	1.9
153.05399	0.2
159.07976	0.2
161.02386	0.2
163.03856	0.3
167.03384	0.7
169.04842	0.2
169.06435	0.6
179.03375	2.2
184.26360	0.2
185.05862	0.2
187.07504	0.5
191.03484	0.2
193.04944	0.3
197.04384	1.0
197.05968	1.5
199.07446	0.3
203.07066	0.2
207.02824	0.2
209.04350	0.2
211.80586	0.2
213.05405	0.4
214.27786	0.2
215.07008	0.7
225.05484	1.0
227.06981	0.7
229.05078	0.2
243.06555	0.8
243.80595	0.2
245.08110	0.2
253.04936	0.7
255.06491	0.4
271.06009	1.4
273.07501	0.6
274.41510	0.2
281.04486	0.3
283.05954	0.3
286.04700	0.8
287.05539	0.2
299.05466	8.7
301.06949	0.7
302.04047	0.2
314.04071	0.3
315.04852	0.3
317.06549	3.5
329.06519	51.8
330.06949	0.8
360.14493	0.2
391.08109	0.6
407.07574	0.7
423.10699	100.0
424.11057	1.6
571.28668	0.2
585.16803	0.2
616.06580	0.2
731.33923	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.4
55.01836	0.5
55.05441	0.2
55.89408	0.2
57.03429	2.0
59.04953	0.2
61.02874	0.5
65.03917	0.2
69.03414	1.3
69.37051	1.3
69.37454	0.3
70.06571	0.8
71.04984	10.2
72.08126	0.2
73.02886	0.3
75.04433	0.5
78.76005	0.2
79.05454	0.4
81.03413	1.0
81.18551	0.1
83.04926	0.5
84.08087	0.3
84.89272	0.2
85.02892	15.2
86.09695	0.3
87.04430	0.5
91.03929	0.2
93.03375	0.4
94.01119	0.2
95.04912	0.2
97.02877	1.7
99.04388	0.3
107.01247	0.2
107.04971	1.1
109.02821	0.5
118.81939	0.2
120.08054	0.2
121.02835	1.6
123.04393	0.3
127.03867	0.9
129.05473	2.3
131.04854	0.2
136.07462	0.3
137.02286	0.4
138.02983	0.2
141.05498	0.2
145.04901	0.6
147.06490	0.6
150.03151	0.2
151.03896	3.2
151.05087	0.2
153.01801	0.3
161.02255	0.2
165.01811	1.8
166.02498	0.3
172.73526	0.2
177.05402	0.4
183.02863	1.4
185.05765	0.2
203.07074	0.4
213.05486	0.5
219.06511	0.2
227.03268	0.2
227.06966	0.3
229.04890	0.6
230.05600	0.5
231.06490	0.7
241.04910	0.6
245.04378	0.7
249.12697	0.2
255.06503	0.2
257.04315	0.4
258.05194	0.7
259.06003	0.6
269.04367	0.5
273.03928	0.5
273.07495	0.4
285.03931	0.5
286.04648	3.4
297.03879	0.7
299.05435	5.0
300.05801	0.2
301.06937	0.4
302.04074	0.7
314.04156	15.3
315.04752	1.1
317.06396	0.3
329.06500	53.8
330.06848	0.7
339.13470	0.3
371.07730	0.3
391.07986	0.4
407.07306	0.3
408.08279	0.8
420.96759	0.2
423.10678	100.0
424.10968	2.0
461.06171	0.2
483.16898	0.4
514.19397	0.4
516.21045	1.6
542.18701	1.9
574.21106	1.8
581.60931	0.2
699.26312	0.8
731.29883	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.2
53.03945	0.5
55.01860	0.3
55.05490	0.1
56.05020	0.1
57.03432	0.2
61.02913	0.2
61.60407	0.1
65.03938	0.3
69.03420	0.6
69.07045	0.2
70.06589	1.2
71.04979	0.5
72.05319	0.1
72.08159	0.2
73.02917	0.1
77.03937	0.3
79.05483	1.2
81.03407	0.4
82.06575	0.1
84.04491	0.3
84.08141	0.3
85.02895	1.2
86.06067	0.1
86.09712	0.5
91.05467	2.0
95.04961	1.7
95.08533	0.1
97.02888	0.4
97.06493	0.2
98.06071	0.1
98.20789	0.3
98.97575	0.1
99.04436	0.2
101.07182	0.1
105.04507	0.3
105.07013	0.1
107.04944	100.0
108.05266	0.8
109.02853	0.1
111.04445	0.1
117.05462	0.1
119.04931	7.3
120.08096	0.2
121.02856	1.6
127.03912	0.7
128.04219	0.1
128.07054	0.4
129.05516	0.1
129.10266	0.1
131.04887	0.6
133.06476	0.3
136.07587	0.1
145.04948	0.5
147.04395	63.9
148.04733	0.6
149.05893	0.1
159.04420	1.1
165.05463	0.7
177.05458	2.3
183.91528	0.1
204.06543	0.1
225.09059	0.7
250.14726	0.1
253.08640	1.2
259.76999	0.1
263.09149	0.3
267.15683	0.1
275.09174	0.1
279.10220	0.1
281.10181	2.9
303.04916	0.6
304.05292	0.4
309.09637	0.4
327.17828	0.1
369.13611	0.2
571.68707	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	730.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81732	0.9
53.03942	2.8
55.01869	3.0
55.05511	4.5
56.05035	5.7
56.96556	1.8
57.03429	5.4
61.02926	32.4
67.05504	9.7
68.05045	1.3
68.48170	1.0
69.03426	19.9
69.07064	4.2
70.06588	9.4
71.01352	1.1
71.04987	3.7
71.20551	1.1
71.20876	1.1
72.04501	1.2
72.08161	1.2
73.02920	12.1
73.54829	0.9
77.53957	0.8
79.05495	9.5
79.87911	0.9
80.05006	2.6
81.03416	43.5
81.07046	13.1
82.06577	3.1
83.04982	6.5
83.08614	9.6
84.04503	10.7
84.08147	3.2
85.02904	33.6
85.06537	1.5
86.06067	47.6
86.09692	1.2
87.04466	35.6
91.03948	19.0
91.05482	9.7
93.07048	12.1
94.06585	2.1
95.04961	14.8
95.08613	7.6
96.08107	2.5
97.02893	26.7
97.06538	7.4
97.10191	1.6
98.06053	37.0
99.04449	3.0
99.05032	1.0
101.02396	2.4
102.05537	2.8
103.03938	1.8
104.07106	47.8
105.07005	6.8
107.04955	20.7
107.08611	3.2
109.02879	3.4
109.06535	1.6
109.10147	1.4
111.04455	2.6
111.08089	5.6
112.07600	15.5
114.05521	1.5
115.03938	2.7
116.07150	1.2
116.98630	1.5
117.07003	1.2
119.04931	2.4
119.08562	6.7
121.06503	1.2
121.10124	9.7
122.03692	1.4
122.06039	1.1
123.08070	2.0
124.07587	4.6
126.05517	10.1
126.09164	2.2
127.03934	8.3
128.07083	1.3
129.07001	4.3
131.08569	6.8
133.06458	2.7
133.10133	2.6
133.27538	1.0
136.07553	1.5
137.05959	11.9
137.09608	1.2
138.09189	1.3
138.12753	4.6
139.11163	1.9
140.07036	4.4
142.08623	4.8
145.04967	5.9
145.10130	1.6
147.04395	3.4
147.08002	1.9
147.11670	5.1
148.07558	2.6
149.09610	31.5
149.13235	1.2
154.08647	1.5
156.10254	1.0
157.10115	5.9
158.08130	8.4
158.99699	1.1
163.06029	4.1
165.12791	2.7
166.12292	4.0
167.10748	1.5
175.11212	7.9
177.12735	2.8
182.08179	1.5
182.15416	2.8
184.13339	6.1
188.23578	1.0
192.13739	1.9
193.12234	42.9
195.13811	1.9
206.15401	5.2
210.14885	11.5
210.83990	1.2
211.13304	6.1
218.97444	1.2
224.16524	4.0
232.16899	1.1
234.14886	3.7
240.16032	1.2
250.18008	2.3
252.15948	26.6
260.16321	5.9
267.15912	19.2
268.19043	2.2
276.18155	1.3
278.17465	16.7
284.18518	1.2
285.16962	62.5
286.17236	1.3
286.20251	1.7
296.18600	4.8
302.19608	2.7
309.16919	4.2
319.04459	3.2
320.04935	2.0
326.19778	2.3
327.18015	2.0
344.20657	20.5
351.17886	1.7
362.21701	39.2
363.17978	2.2
370.22162	9.7
388.23285	100.0
389.23645	2.7
411.20416	1.6
496.99118	1.3
506.26074	1.8
524.27094	14.3
525.51160	1.1
532.27820	2.0
550.28534	54.5
551.28760	1.6
553.94263	1.0
609.46759	1.1
668.31287	1.2
686.32245	2.4
694.32220	1.7
712.33820	90.7
713.33765	3.5
730.36420	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	727.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01870	0.6
55.05507	2.4
55.82552	0.4
56.96569	0.7
57.03419	2.3
58.73954	0.4
59.04985	0.9
61.02918	4.7
65.60440	0.5
67.05499	4.6
68.05845	0.6
69.03411	3.3
69.07054	1.8
69.45512	4.5
70.06583	1.8
71.04974	2.6
72.08145	0.6
72.08569	0.4
73.02904	3.2
79.05485	4.8
80.31461	0.4
81.03414	6.0
81.07050	5.3
82.03738	0.6
83.04971	1.6
83.08614	1.5
84.08125	0.8
85.02889	4.9
85.06541	0.6
86.09700	1.1
87.04460	0.6
89.06026	0.7
91.03945	2.5
91.05469	6.0
92.05811	0.8
93.07042	5.4
95.04962	2.7
95.08604	3.4
97.02882	3.9
97.06523	1.3
97.10173	0.7
99.04456	1.1
101.02380	1.9
105.07018	3.8
106.07349	0.5
107.04954	3.7
107.08578	4.1
109.02889	0.9
109.06526	1.3
109.10128	2.4
110.10468	0.5
111.04408	0.5
111.08075	1.0
117.07023	0.8
119.08553	2.8
121.06517	1.8
121.10159	3.4
123.08070	0.7
123.11748	0.7
126.22229	0.5
127.03902	0.9
129.07001	1.4
131.08578	2.1
133.06451	0.5
133.10135	1.9
135.08063	0.7
135.11668	3.1
145.10147	2.0
147.08086	0.5
147.11671	2.1
149.01250	0.5
149.09633	1.8
157.10141	1.6
163.11180	4.3
173.11713	0.4
175.11189	1.1
191.10606	0.4
193.12265	2.4
211.13385	1.0
219.09807	0.6
225.14873	0.7
227.12740	3.5
243.08374	3.1
249.10941	7.4
267.15958	0.9
283.15164	2.5
305.13635	1.4
373.15381	0.8
448.28116	0.8
461.29065	0.6
462.29486	1.6
467.18860	12.6
501.23004	14.1
565.29456	0.8
727.35022	100.0
728.35455	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.6
57.07072	1.1
58.06592	0.6
66.62686	0.5
67.05505	1.5
69.07077	0.7
70.06593	1.5
71.08646	0.6
72.08150	2.1
73.02926	3.1
79.05489	0.9
81.07058	1.2
83.01109	1.7
87.04456	0.5
88.07648	1.2
89.06047	2.9
89.80415	0.5
91.05540	0.5
93.07027	0.8
95.04944	0.5
100.07653	0.6
105.07028	3.9
107.04924	0.7
109.10201	0.6
109.67126	0.5
111.04192	3.5
121.06520	1.4
127.03654	2.4
131.08562	1.0
133.08591	0.9
147.08113	1.1
155.06721	2.3
171.06189	2.9
183.10005	0.7
184.07433	0.7
185.07791	0.9
199.09431	3.1
215.08951	1.3
227.00664	0.5
227.12344	0.6
243.12193	1.7
259.11545	1.1
268.30078	0.8
268.32956	0.6
271.15283	1.1
287.14743	1.9
303.14368	0.7
310.34824	0.8
355.34735	0.5
375.20020	2.0
389.17740	0.6
391.19711	0.8
452.46371	0.5
463.25281	1.1
479.25095	1.1
601.31897	1.1
627.33551	0.6
641.34747	3.1
726.57721	3.4
727.46027	100.0
727.57666	12.9
728.46112	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	727.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
54.21465	0.1
55.01871	1.0
57.03433	0.6
61.02921	0.7
65.03923	0.1
67.01836	0.1
67.05462	0.1
68.99792	0.6
69.03425	4.0
70.06594	0.5
71.01292	0.1
71.04995	0.5
71.37159	0.1
72.08114	0.1
73.02913	0.9
79.05482	0.1
81.03411	4.7
81.07023	0.1
83.01324	0.1
84.08134	0.1
85.02900	7.2
86.09688	0.1
87.00824	2.9
87.04436	0.2
91.03931	0.3
91.05429	0.1
93.03384	0.3
93.07028	0.1
95.04933	0.3
97.02884	2.4
99.03849	0.1
99.04447	1.4
103.03889	0.1
105.01192	0.1
105.01855	1.7
105.06999	0.1
107.04939	0.3
109.02870	3.8
111.04456	0.1
111.10674	0.1
115.03909	0.1
117.01833	0.5
120.08041	0.1
121.02857	0.8
123.04436	0.9
124.01540	0.2
125.02347	0.6
127.03905	5.2
129.01830	0.3
132.64032	0.1
135.04330	0.1
137.02325	2.2
137.03362	0.1
137.05852	0.1
139.03876	0.2
141.05415	0.2
145.02855	0.1
145.04944	1.6
147.02829	0.2
149.02345	0.4
151.03893	0.8
159.02881	2.0
163.03877	0.5
166.08589	0.1
167.03389	3.1
173.02301	0.1
177.03902	0.1
179.03378	1.4
180.04100	0.2
183.03000	0.1
183.04454	0.2
185.04388	0.1
187.07477	0.2
191.03352	0.1
195.02890	0.1
197.04413	0.8
197.06044	0.1
200.04663	0.2
205.08549	0.1
207.02942	0.1
209.04390	0.3
211.03812	0.1
213.03905	0.2
215.07011	1.3
219.02850	0.2
221.04457	0.1
227.06895	0.1
228.04085	0.3
229.04950	0.1
231.04997	0.7
233.08058	0.3
239.03323	0.1
242.05847	0.2
243.06499	3.4
245.04434	0.1
256.03577	0.2
257.04407	0.1
260.06647	0.1
261.07535	0.6
271.05991	2.1
272.06357	0.1
273.03961	0.2
274.04694	2.0
278.42090	0.1
288.06226	0.9
289.06964	0.2
299.05450	1.0
300.06281	0.1
302.04193	2.7
316.05750	0.2
317.06525	100.0
318.06888	1.9
359.07632	0.4
383.07709	0.1
393.14810	0.1
479.11813	20.7
480.11728	0.4
565.11401	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01875	0.9
57.03418	0.6
61.02922	0.8
65.03915	0.3
68.99774	0.5
69.03426	3.7
70.06580	1.5
71.04989	0.7
71.35191	0.3
72.08094	0.1
72.70968	0.1
73.02903	0.8
81.03413	4.2
84.04498	0.3
84.08128	0.4
85.02899	8.2
85.07643	0.3
86.09695	0.5
87.00819	2.3
89.95214	0.1
91.03960	0.3
93.03321	0.2
95.04941	0.5
96.50877	0.2
97.02881	2.7
99.04441	1.8
99.94304	0.2
105.01851	2.0
107.04915	0.4
108.25323	0.1
109.02866	3.7
109.79782	0.1
110.07131	0.2
115.03944	0.3
117.01808	0.5
121.02844	0.6
123.04404	0.7
124.01564	0.2
125.02338	0.7
127.03908	5.4
129.01796	0.5
132.06610	0.2
134.52443	0.1
137.02318	2.1
141.05470	0.2
143.73735	0.1
145.04955	1.8
147.02917	0.4
149.02325	0.4
151.03903	0.8
155.04909	0.2
159.02887	2.2
163.03914	0.3
167.03378	2.6
179.03395	1.2
185.04459	0.2
187.07605	0.3
197.04466	0.7
200.04738	0.3
209.04393	0.2
215.07001	0.9
228.04231	0.4
229.04749	0.2
231.04971	1.0
233.08086	0.2
243.06523	2.7
257.04501	0.3
261.07632	0.3
271.05997	1.7
273.03931	0.3
274.04718	1.9
284.03165	0.2
288.06210	0.5
299.05484	1.0
302.04193	2.0
303.04971	1.8
316.05649	0.2
317.06531	100.0
318.06879	1.2
329.06439	0.5
355.08325	0.2
356.08783	0.2
359.07556	0.6
376.18622	0.2
383.07660	0.3
425.07938	0.2
521.02124	0.2
565.11572	0.2
589.41785	0.2
752.49005	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.5721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.7
56.05037	0.4
56.75947	0.3
57.07074	5.3
58.06604	2.7
61.97631	0.3
63.43029	0.3
63.97580	0.2
67.05497	0.5
68.05020	0.4
69.07072	0.6
70.06590	20.8
71.05003	0.3
71.08630	2.0
72.08154	4.0
73.02925	1.0
79.05486	0.6
81.07050	0.4
84.08145	5.9
85.10194	0.4
86.06100	0.4
86.09704	8.1
87.04469	1.1
88.07631	2.7
89.06031	8.5
89.06555	0.5
91.05476	0.8
92.05819	0.3
93.07051	0.5
95.04969	0.5
95.08586	0.3
96.08184	0.3
97.10162	0.4
98.09683	0.4
98.21501	0.6
100.07635	0.3
102.09182	2.2
104.77759	0.3
105.07037	2.8
106.07380	0.6
114.09170	7.7
117.76121	0.3
119.08588	0.3
121.06526	1.1
131.07152	0.4
131.08534	0.4
132.10240	1.1
132.34419	0.3
133.08566	1.5
146.11749	0.9
147.08084	0.5
176.12827	0.5
177.11253	0.6
184.07381	0.7
190.14313	0.3
196.03215	0.3
220.15448	0.8
234.17018	0.8
264.18195	1.0
268.29974	3.3
273.12274	0.3
278.19730	0.7
282.31802	0.4
294.31528	5.7
294.34552	0.4
296.33066	5.2
299.32208	0.3
308.20819	0.8
309.41531	0.3
312.32587	7.5
313.33145	0.4
338.34119	0.5
356.35275	4.5
400.37878	4.2
444.40445	9.0
444.46442	0.5
488.43115	9.4
520.45367	0.3
532.45660	8.1
576.39398	0.3
576.48181	5.0
577.49438	0.3
620.50739	0.8
664.53729	0.7
708.56036	0.5
726.57190	100.0
727.57617	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	726.5718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.4
55.05697	0.3
57.07073	7.4
57.07335	0.4
58.06596	6.8
59.04974	0.4
67.05473	0.7
69.07064	1.5
70.06590	9.1
70.48571	0.9
71.08628	4.2
72.08147	1.8
73.02876	0.8
79.05483	0.5
81.07020	0.5
83.08614	1.2
84.08130	2.9
85.10133	1.2
86.09705	3.8
87.04416	1.2
88.07630	2.1
89.06031	6.0
90.06340	0.5
91.05454	0.7
93.06975	0.3
95.04915	0.4
95.08586	0.3
97.10119	0.6
100.07590	0.5
102.09168	1.3
103.03928	0.3
105.07021	3.3
106.07337	0.5
107.08546	0.3
109.10101	0.3
114.08495	0.3
114.09146	3.2
114.59029	0.2
119.08578	0.4
121.06445	0.6
131.08482	0.6
132.10156	0.6
133.08589	1.4
146.11731	0.5
147.07996	0.6
184.07326	1.3
220.15450	0.5
268.29971	52.1
269.30264	1.4
294.31555	2.5
296.33136	2.5
312.32574	6.1
356.35260	3.4
360.22153	0.3
400.37759	2.3
444.40320	3.4
488.43033	3.2
532.45618	3.0
576.48413	1.5
620.51239	0.5
664.52252	0.3
708.55896	0.7
726.57184	100.0
727.57513	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	726.5717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.6
56.05033	0.4
57.03419	0.4
57.07072	5.2
58.06599	2.6
61.02910	0.4
67.05498	1.7
68.05013	1.1
69.03416	0.5
69.07049	1.2
69.27942	3.5
70.06585	20.5
71.04978	0.4
71.08613	2.5
72.08150	3.6
73.02909	0.8
79.05486	1.0
81.07043	1.2
83.04988	0.4
84.08136	6.0
85.02908	0.4
85.10182	1.2
85.71939	0.3
86.06060	0.3
86.09695	8.0
87.04451	0.9
88.07631	1.4
89.06026	6.4
91.05477	1.4
93.07031	1.1
95.04935	0.6
95.08615	0.8
96.08097	0.4
97.02869	0.4
97.10195	0.5
102.09158	0.7
104.10836	0.3
105.07028	1.2
107.04955	0.7
107.08602	0.7
114.09155	7.1
117.07014	0.5
119.08585	0.4
121.06445	0.3
121.10115	0.4
128.78387	0.3
129.07065	0.3
131.08595	0.3
132.10205	0.5
133.08624	0.6
146.11726	0.5
171.11688	0.4
176.12794	4.1
176.14227	0.3
184.07343	1.1
190.14365	3.7
260.62210	0.3
268.29953	3.2
269.10544	0.3
293.21362	0.3
294.31525	5.0
296.33069	3.9
311.25870	0.4
312.32504	2.8
356.35245	0.8
396.25906	0.4
400.37805	33.4
401.38376	0.7
410.27393	0.3
444.40652	1.0
454.22293	0.4
474.98148	0.3
488.43314	1.4
532.45959	1.2
536.45294	0.3
576.48334	0.4
620.50964	9.6
621.51434	0.5
726.57178	100.0
727.57935	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	726.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05886	0.3
59.04992	0.6
65.02235	0.3
67.05502	0.3
69.03423	1.2
69.07021	0.4
70.06589	3.3
70.07635	1.5
71.04991	0.4
72.08145	0.7
73.02918	1.0
73.06551	1.9
74.61420	0.3
81.03412	0.3
81.16328	0.3
84.04478	0.3
84.08144	0.7
85.02882	1.7
86.09706	0.5
87.04466	10.6
89.06026	100.0
90.01440	0.3
90.06361	0.5
91.07586	0.5
95.97020	0.3
97.02890	1.1
100.07604	0.4
107.04932	1.5
107.07063	5.0
110.07153	0.4
117.09136	1.4
120.08134	0.4
124.85522	0.3
126.05589	0.3
129.10251	0.6
130.08640	1.3
131.07031	4.1
133.08594	67.0
134.08963	0.4
135.10101	0.4
151.09651	0.5
157.08635	0.3
175.09641	2.7
176.98457	0.3
177.11211	29.0
179.12924	0.3
181.89000	0.3
195.12291	0.5
219.12314	1.0
221.13835	5.7
223.15396	0.6
237.13190	0.4
239.09543	0.4
239.14876	1.8
257.38995	0.3
265.16443	1.2
267.18124	0.6
283.17447	3.1
308.13535	0.3
309.18961	1.3
317.06555	0.7
327.20139	2.4
353.21683	0.8
371.22586	1.0
410.60208	0.3
415.25381	0.9
459.27719	1.0
503.30441	2.0
547.33228	16.0
548.33514	0.5
726.44745	0.4
727.23456	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54897	2.8
53.03935	3.0
55.01861	2.8
55.05508	6.5
56.05026	4.8
57.03434	14.0
61.02926	3.7
67.05493	10.5
69.07056	5.1
70.06595	23.1
71.04931	3.4
71.58851	4.9
72.08160	9.5
74.48571	2.6
79.05489	12.7
81.03446	3.3
81.07043	9.5
83.08587	3.2
84.04512	3.0
84.08139	12.9
85.02902	6.8
86.09714	14.4
87.64871	3.0
91.05475	28.8
93.07020	18.8
95.04959	9.8
95.08607	10.8
97.02875	3.1
102.05506	2.7
104.10716	4.3
105.07027	19.5
107.04949	100.0
107.08591	11.4
108.05280	7.0
110.07179	4.6
115.05437	4.5
117.07009	9.9
119.04917	3.7
119.08587	14.6
120.08118	7.0
121.02871	9.4
121.06527	9.5
129.06981	11.6
129.10257	5.8
131.04895	13.7
131.08554	14.6
132.06566	6.7
133.06480	13.5
133.10149	9.8
141.06953	3.3
143.08548	6.7
145.06511	15.0
145.10155	10.8
147.08046	5.5
147.11710	7.4
149.05992	6.9
154.24185	2.8
157.06450	10.5
157.10098	5.6
159.08047	4.9
159.11688	12.0
161.13170	4.1
167.08662	3.9
169.06476	4.1
171.08054	4.8
171.11685	3.9
173.13176	5.0
181.06412	4.0
184.07329	9.0
184.97710	2.9
185.13184	15.6
195.07990	2.8
199.07430	3.2
203.14345	9.2
211.07471	4.2
215.08578	3.1
219.07997	3.2
219.17459	7.7
233.09454	2.8
235.07515	4.2
237.09058	7.5
239.17931	7.1
245.09531	3.6
247.46567	2.9
257.18979	12.3
275.20038	21.7
303.89615	2.8
349.23700	86.9
350.23969	2.7
351.75760	3.2
378.12393	3.3
523.18921	4.5
591.58813	3.1
672.24451	4.1
726.28253	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	726.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93999	1.1
53.03934	3.7
55.01876	8.1
55.05513	20.6
57.03438	16.5
59.04985	1.8
61.02922	13.6
65.03938	2.5
67.05504	50.9
69.03429	9.7
69.07066	23.2
70.06586	5.1
71.01338	1.3
71.04985	6.7
73.02916	7.1
79.05489	40.0
81.03413	20.1
81.07055	64.8
83.04978	11.1
83.08616	15.1
85.02891	18.2
85.06546	4.0
86.09695	1.6
87.04479	2.1
91.03960	11.5
91.05476	32.9
93.07039	51.4
93.79670	1.1
95.04977	14.0
95.08602	26.5
97.02890	10.6
97.06532	16.7
97.10172	8.2
98.20676	2.8
99.04452	3.7
99.08091	4.6
103.03900	1.9
105.07025	25.0
107.04965	13.7
107.08592	32.9
109.02867	2.5
109.06515	6.6
109.10161	15.5
110.07102	1.2
111.04407	2.1
111.07413	1.7
111.08093	5.2
117.07008	14.7
119.08578	20.9
120.08102	3.0
121.06506	5.4
121.10133	17.0
123.08075	4.6
123.11718	5.3
125.09602	6.0
127.03903	7.4
129.05478	2.2
129.07019	4.4
131.08557	17.8
133.06499	1.9
133.10129	21.4
135.08066	3.8
135.11688	20.6
137.09599	2.7
139.11232	1.4
143.08553	4.7
145.04918	3.8
145.06496	2.0
145.10112	17.0
147.11681	11.0
149.09637	10.1
149.13220	14.8
151.11111	3.2
153.09142	1.6
155.08566	1.6
157.10127	3.8
159.11684	24.7
161.09709	1.7
161.13301	4.4
163.06001	5.1
163.11186	7.5
165.12796	2.4
169.10060	2.0
171.10251	1.9
171.11679	3.9
173.04440	2.4
173.09631	1.5
173.11819	2.7
173.13272	7.1
175.11159	3.0
176.70715	1.2
177.12752	23.2
179.14308	7.8
181.12221	1.7
183.08131	1.6
184.07355	1.7
185.13310	2.8
187.11253	3.9
187.14807	1.3
189.11243	2.2
191.14400	1.5
193.12282	3.6
195.13814	6.2
197.13260	1.8
211.13322	2.4
227.12793	6.1
229.14281	10.4
239.17844	3.0
245.13779	2.4
247.20621	3.6
251.16423	5.6
255.15895	42.0
257.19046	10.6
267.15897	5.0
269.17468	100.0
273.13132	1.3
275.20038	30.6
283.15335	1.5
285.17096	3.0
293.21155	2.2
301.16449	1.7
309.20743	1.8
321.16876	1.7
349.23727	75.4
350.23950	2.5
367.24890	28.5
413.21771	5.6
461.28778	2.1
475.26926	1.4
479.30011	1.5
511.29138	8.2
726.39435	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	726.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01831	0.4
61.60406	0.1
65.32921	0.1
68.99776	0.2
69.05730	0.1
69.43946	0.3
69.44367	0.5
70.06554	0.3
71.04939	0.4
71.05298	0.1
72.47408	0.1
74.50307	0.1
81.03387	0.1
85.02883	0.6
87.04412	0.1
95.04917	0.1
98.20770	0.2
104.07038	0.1
107.04912	0.2
110.07060	0.2
121.02810	0.2
123.00819	0.2
123.04349	0.1
127.03873	0.1
130.32343	0.1
131.04863	0.1
137.02315	3.6
137.03342	0.2
141.01805	2.2
149.02292	0.2
149.05901	0.2
151.03848	0.2
163.03883	1.1
165.01814	1.5
167.03333	0.1
171.04373	0.2
179.03426	0.1
183.02852	1.9
185.05934	0.2
187.03815	0.4
189.05435	0.1
199.03847	0.1
206.32394	0.1
213.05324	0.6
215.03331	0.1
217.04965	0.5
219.02654	0.2
227.03366	0.1
231.06631	0.1
241.04910	1.3
256.43564	0.1
259.05933	0.4
269.04373	0.3
287.05469	0.7
314.04034	0.2
315.04919	100.0
316.05273	2.9
317.06464	0.4
425.08954	0.2
477.10229	15.1
478.10571	0.3
587.14374	0.2
623.16113	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.01833	1.2
55.75808	0.3
57.03435	1.6
60.51655	0.3
61.02884	1.0
67.05475	0.4
68.99757	0.8
69.03427	8.7
69.36198	0.5
69.36543	3.4
70.06591	7.4
70.06955	0.3
71.01321	0.4
71.04942	0.9
72.08115	0.6
73.02877	1.4
79.05479	0.5
81.03416	9.4
83.01292	0.4
84.04463	0.6
84.08119	0.8
85.02902	9.5
86.09676	0.7
87.00829	4.5
87.04448	0.6
91.03924	0.8
95.04929	0.7
95.05994	0.3
97.02887	5.0
98.20792	0.7
99.04447	2.6
105.01850	2.3
107.04953	13.3
109.02871	6.9
112.07627	0.4
113.06009	0.4
117.01805	0.9
118.03221	0.4
120.08026	0.6
121.02755	0.5
121.06504	2.5
123.04372	0.7
127.03913	8.6
129.01785	0.7
131.04890	0.4
136.07533	0.8
137.02333	11.2
137.03381	0.8
145.04942	2.0
147.02869	0.4
157.06552	0.4
159.02885	2.3
159.04039	0.4
161.05956	0.4
163.03911	0.5
175.03928	0.4
179.21210	0.4
185.54897	0.4
187.05991	0.8
191.08455	0.5
199.03780	0.6
201.05515	0.7
203.67625	0.3
209.09688	0.3
217.04955	5.9
219.08055	0.5
223.07504	0.5
229.04993	0.4
231.04967	0.9
235.05984	1.4
235.18175	0.4
237.09062	0.7
241.08604	0.5
247.07455	0.6
251.06906	0.4
265.08566	2.4
267.06516	0.5
279.06677	0.4
283.09631	1.3
293.07990	1.1
294.08783	0.6
295.06216	0.4
299.05359	1.1
309.07501	0.5
311.05734	0.6
311.08878	1.6
315.04926	3.1
317.06564	4.6
321.07617	1.6
325.01294	0.4
325.07129	1.6
327.05032	9.6
327.08615	1.4
329.06580	1.3
337.07004	3.1
339.05026	0.7
339.08649	2.5
340.05768	0.6
341.06479	3.3
343.08115	1.1
349.07013	5.5
352.05756	1.3
354.09714	12.6
354.14111	0.7
355.03665	0.8
355.08102	22.2
366.09738	5.5
367.08093	73.1
368.08487	1.1
372.10739	8.0
384.10876	3.7
397.09546	0.4
405.54361	0.3
409.09143	1.3
425.61917	0.4
435.10742	0.7
443.11185	0.7
449.12405	1.9
460.13760	2.3
461.12280	14.5
462.12869	0.6
478.14957	100.0
479.15274	1.7
558.16205	0.5
602.15015	0.7
620.16357	0.9
646.18616	0.5
682.21167	1.8
690.18127	0.5
726.20135	14.2
726.32947	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11828	1.6
51.65274	1.5
53.03937	3.1
55.01862	4.5
68.61047	1.7
70.06591	17.7
71.59324	1.8
72.08149	2.9
73.67111	1.6
79.05479	5.8
84.08138	7.8
85.02954	1.8
86.09698	8.2
91.05468	14.4
93.07030	3.6
95.04969	6.9
103.05460	7.7
104.10729	2.9
105.07016	5.5
107.04951	100.0
110.07160	3.3
115.05479	13.0
117.07023	11.4
119.04935	6.6
119.08587	2.4
120.08051	2.3
121.02849	9.7
121.06512	7.9
128.06221	8.8
129.06992	17.2
129.10263	3.6
131.04916	25.7
131.08551	4.3
132.71098	2.0
133.06479	10.1
136.07483	2.1
141.06993	12.2
143.04953	3.5
144.05667	3.1
145.06476	27.3
147.08009	4.3
152.06189	2.3
153.06961	3.6
155.06071	1.8
155.08557	5.6
157.06490	25.6
159.08051	10.7
161.05962	2.1
161.09595	2.3
165.07019	9.4
166.07770	2.0
167.08499	4.2
167.11546	1.7
169.06490	35.1
171.08092	10.2
173.05962	2.8
175.07603	4.8
178.07729	3.3
179.08623	4.6
181.06480	8.5
183.08064	7.5
184.07365	3.2
185.05983	2.9
185.09497	2.4
187.07571	4.5
189.07022	2.5
190.07701	2.8
191.08540	3.8
194.07253	4.5
195.08113	8.9
197.05945	4.8
199.07527	7.3
202.07741	6.8
203.08595	4.7
205.06544	2.7
205.10028	3.3
206.07407	2.1
207.08081	9.5
210.06863	3.8
211.07526	10.0
213.09029	4.2
215.08533	3.3
218.07227	4.5
219.08049	15.7
220.08743	4.5
221.05931	3.9
221.95009	1.9
222.06711	2.1
223.07556	12.0
225.09077	5.6
228.09256	2.3
229.10104	3.2
231.08095	7.8
232.08559	2.0
233.09642	6.1
234.06783	2.9
235.07494	16.0
237.09137	13.4
239.08588	2.9
241.91942	1.7
242.07336	1.8
243.08083	3.5
244.08809	2.0
245.09517	5.9
247.07489	9.0
248.08284	3.6
249.09090	7.3
251.10614	2.6
252.09145	3.4
255.07925	5.1
256.08746	4.1
257.09564	5.8
259.07532	6.5
259.11224	3.7
260.08411	2.9
261.09113	13.7
263.10675	6.3
268.08679	2.0
269.09750	4.0
272.08148	2.5
273.09070	7.5
275.10562	7.9
276.09225	2.0
283.11191	2.2
285.09229	4.3
287.10736	5.0
297.08957	2.8
299.10617	7.6
301.12335	2.5
303.10675	2.2
307.11243	3.0
309.09186	3.9
310.09778	2.3
311.10712	5.7
313.12036	2.3
315.10028	2.3
317.11853	2.4
319.10977	3.3
321.09177	3.3
322.09940	2.1
323.10574	6.7
327.10297	3.1
329.11618	5.5
335.10745	4.1
337.12308	3.4
338.09174	2.5
340.10800	2.3
341.11633	4.8
344.11920	2.4
346.09851	3.2
347.10553	4.7
349.12335	4.6
351.09970	2.9
353.11716	6.6
355.13248	4.8
359.10394	2.4
360.11493	2.9
361.12183	4.2
364.10834	2.4
365.11743	6.3
367.13074	4.9
373.12146	4.3
377.11807	3.1
378.12213	2.6
379.13141	3.0
380.13647	2.4
391.13150	6.1
405.15063	2.7
447.15344	2.8
459.15805	3.3
473.17261	2.1
483.15799	5.3
485.17389	4.2
497.17313	5.5
501.17010	3.1
511.19516	2.9
515.54718	2.2
523.18811	3.0
535.19275	4.6
553.19879	4.4
565.19702	2.7
591.21527	2.5
603.20911	2.9
617.23413	4.2
629.23236	15.1
631.23590	2.6
635.23676	5.8
641.23315	15.9
647.24426	12.3
653.22986	4.5
659.24438	18.5
665.24921	3.0
671.23645	6.4
677.24835	6.9
689.25427	9.3
707.26068	6.6
725.27618	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	725.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.3
53.09016	1.1
55.01871	3.9
56.84160	1.2
60.08145	1.4
65.03922	2.4
70.06585	4.9
70.20003	5.7
72.08160	1.8
79.05528	3.6
81.36617	1.2
84.08147	3.2
85.02879	1.3
86.09721	3.1
91.05486	11.9
93.07037	1.6
95.04970	5.3
99.75658	1.3
103.05488	3.3
104.10743	3.5
105.07040	5.7
107.04959	100.0
115.05460	6.2
117.07065	6.7
119.04939	5.1
120.08163	1.7
121.02863	16.4
121.06497	8.9
123.04477	1.4
128.06219	4.6
129.06996	9.2
131.04935	21.6
131.05852	2.6
131.08553	5.1
133.06505	9.0
137.06010	1.5
141.06978	5.4
144.05675	1.8
145.06487	28.0
147.08046	3.0
149.05980	3.3
155.08505	2.1
157.06490	12.9
159.08034	7.4
161.06049	2.0
165.06929	2.2
167.08569	2.8
167.90245	1.4
169.06479	11.9
171.04538	1.8
171.08109	6.9
173.05986	6.6
175.07553	5.4
178.07768	2.1
179.08524	3.3
181.06500	3.4
183.08041	3.3
184.07343	2.7
191.08414	1.5
194.07259	2.1
195.08057	4.5
197.05997	2.7
197.09531	1.8
197.45560	1.4
199.07637	3.2
202.07756	2.0
203.08588	2.6
205.06595	2.2
207.08072	3.1
209.09538	2.0
211.07553	4.9
213.09244	2.9
215.08421	1.6
218.07274	3.2
219.08104	5.1
221.05907	2.1
221.09648	1.5
223.07495	5.7
225.09126	2.2
231.08026	4.5
232.08727	2.6
233.09613	3.9
235.07571	6.7
237.09109	3.7
243.07983	1.4
245.09583	2.9
247.07515	4.1
249.09146	2.7
255.07968	1.6
257.09555	3.1
259.07730	2.8
259.11200	2.0
261.09088	5.5
263.10764	2.8
268.08871	1.7
273.08957	1.9
275.10550	3.0
285.09137	2.3
287.10590	3.0
291.10300	1.7
293.09421	1.8
299.10736	2.1
303.10071	1.5
311.10703	3.4
315.10147	2.7
317.11884	2.2
325.12241	1.8
327.10287	2.0
329.11829	4.6
335.10678	2.6
341.11621	4.1
343.13364	1.6
345.14825	1.8
351.10086	1.9
353.11783	2.6
355.13620	3.2
364.10660	1.9
365.11743	2.3
367.13303	3.1
391.13477	1.8
471.15881	1.6
473.17181	1.5
475.19037	2.5
483.15723	2.6
485.17395	2.3
487.18997	4.0
489.16562	2.6
489.94644	1.7
497.17380	2.1
499.30753	1.7
501.16553	2.1
509.17960	2.0
523.19214	2.2
541.19873	3.4
553.19330	2.1
617.22992	2.5
629.22778	4.9
635.24011	2.9
641.23035	5.4
647.24158	9.2
659.24463	6.9
665.24841	3.1
671.23547	1.7
677.25366	6.6
689.25043	1.9
695.26154	3.3
707.26074	6.1
725.27417	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	724.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.8
55.01872	4.1
55.05507	18.8
57.03431	5.2
57.07060	0.8
59.04993	1.0
61.02922	7.8
65.03923	1.0
67.05499	24.5
69.03426	10.3
69.07062	22.3
70.06572	2.0
70.77978	1.2
70.78329	1.0
71.04994	3.0
73.02922	3.2
79.05485	21.2
81.03411	10.8
81.07049	20.3
83.04965	4.5
83.08136	0.7
83.08614	11.3
84.04482	0.6
85.02893	8.8
85.06539	1.3
86.09685	2.3
87.04469	0.9
89.06010	0.6
91.03954	5.0
91.04475	0.7
91.05471	14.2
91.06003	1.2
93.07032	15.3
94.04205	0.6
94.53139	0.5
95.04961	9.7
95.06087	0.6
95.08594	9.8
97.02882	11.4
97.03497	0.7
97.06531	3.3
97.07036	0.6
97.10162	12.9
99.04451	1.3
105.03382	0.6
105.07022	13.2
107.04939	8.8
107.08579	12.6
109.02853	1.2
109.06500	2.0
109.10144	8.8
110.10446	0.6
111.04437	0.8
111.08073	3.1
115.05473	1.0
117.07001	5.7
119.04942	1.6
119.08576	10.7
119.09361	1.1
120.08098	0.7
121.06499	3.6
121.10137	5.1
123.04420	0.8
123.08055	3.2
123.11675	1.7
125.00005	1.5
125.06050	0.6
125.09615	10.5
127.03898	1.3
128.06183	0.8
129.06993	3.7
131.04904	0.6
131.08548	7.2
133.06482	3.0
133.10118	6.4
135.08014	3.0
135.11670	2.3
137.09590	2.4
142.07799	1.1
143.08521	2.8
145.04941	1.5
145.06482	1.1
145.10089	4.5
147.08043	4.0
147.11668	3.4
149.09615	2.3
149.13208	1.2
151.11154	1.7
153.09111	0.7
157.10100	3.3
159.08014	1.2
159.11639	2.8
161.09621	2.3
162.10362	1.0
163.05971	0.8
163.11148	3.1
165.09116	1.5
165.12781	0.8
166.08569	0.6
169.12297	1.2
171.10132	1.0
171.11632	1.6
173.09593	0.7
173.11650	1.3
175.11169	3.5
177.12776	1.3
179.10550	0.8
181.12241	0.7
184.07349	6.2
189.11209	4.4
191.10631	0.6
191.14439	0.6
193.12212	5.3
195.13730	1.1
205.12216	2.1
211.13268	2.5
222.98766	0.6
223.13263	18.4
227.12848	4.0
229.14313	1.7
245.19098	1.2
249.14870	2.5
253.14415	1.6
255.17514	0.9
263.20074	1.1
265.14362	0.7
267.15918	3.4
271.15256	0.6
272.19632	0.7
273.18433	8.4
283.15518	1.1
285.16943	10.2
291.19516	68.4
292.19809	2.2
299.13916	0.9
300.14307	0.7
334.23822	0.7
347.22278	3.4
365.23196	100.0
366.23669	2.8
389.18073	0.7
429.21439	1.4
459.27185	0.7
477.28543	1.8
509.26953	1.1
517.12262	0.6
527.28162	3.6
544.32098	1.1
724.41876	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.1
55.01875	3.8
55.05266	0.7
55.05511	12.8
57.03434	12.6
57.07062	0.7
61.02914	1.7
65.03928	1.9
67.05501	26.0
67.83306	0.6
69.03420	5.1
69.07066	5.7
70.06599	6.2
71.01340	1.4
71.04988	4.4
71.51438	0.7
71.59906	0.8
72.08124	1.2
73.02906	2.4
75.20750	0.6
75.23100	0.6
79.05488	21.7
80.31846	0.6
81.03416	81.9
81.07053	23.7
83.04971	12.0
83.08133	1.4
83.08616	24.5
84.04500	0.8
84.08134	1.2
85.02428	0.7
85.02906	12.2
85.06537	1.9
86.06071	0.8
86.09710	2.4
87.80045	0.7
91.03940	1.4
91.05474	30.6
93.07042	15.4
95.04964	29.3
95.08603	11.3
97.02876	6.8
97.06543	3.3
97.10174	7.1
99.04417	1.1
99.08093	1.1
105.07025	22.4
107.04277	1.2
107.04955	15.7
107.08591	11.1
107.21908	0.7
108.05266	0.6
109.06512	4.6
109.10153	10.2
110.09666	0.7
111.04443	2.7
111.08086	9.2
113.05996	1.7
115.05441	1.4
117.07038	3.9
119.04936	1.3
119.08577	18.0
119.19138	0.7
120.08154	0.7
121.06506	5.1
121.10139	11.3
123.04430	1.1
123.08060	3.9
123.11696	1.7
125.09621	4.2
127.03959	0.7
128.06221	1.0
129.07001	11.4
129.10239	0.9
131.04926	1.6
131.08559	12.8
133.06511	3.7
133.10118	9.4
135.08054	2.6
135.11687	3.0
137.05934	1.0
137.09595	3.5
142.07761	3.1
143.08569	1.7
145.06471	4.7
145.10133	5.3
147.04419	1.2
147.08044	4.6
147.11690	13.4
149.09644	6.0
151.11183	1.2
153.09013	0.9
155.08528	2.0
157.06578	0.8
157.10126	13.8
159.08089	1.0
159.11716	1.4
160.82835	0.7
161.06046	1.1
163.11169	4.7
165.12711	2.9
166.08496	0.9
167.08586	0.6
169.10094	1.4
171.07945	1.1
171.11673	1.4
173.09648	1.6
173.11879	1.6
173.13353	0.7
175.11171	13.3
177.12840	0.7
181.10118	0.8
181.12225	1.1
183.08115	1.0
184.07388	0.9
187.11115	0.9
189.11200	2.4
189.12723	1.0
191.10710	1.3
193.12234	33.2
195.11700	1.8
198.28612	0.7
199.11003	0.9
205.12178	1.4
209.11685	1.8
211.11275	1.5
211.13280	16.2
215.10768	0.8
215.14313	0.7
227.12791	3.0
229.14256	4.6
237.12715	1.5
249.14859	2.7
255.13809	1.8
267.15906	100.0
268.16342	0.9
273.14844	4.2
283.15341	2.4
285.16937	16.7
301.16461	1.4
341.21283	0.8
349.21536	2.4
350.74200	0.8
356.16260	0.8
365.23178	1.3
367.22623	8.6
384.54816	0.7
385.23694	10.5
403.24768	3.7
415.24548	1.7
421.25827	0.8
423.25485	1.0
433.25885	13.4
441.26270	5.2
459.27405	67.2
460.27829	0.9
477.28470	40.6
509.27213	2.0
519.29395	0.9
527.28394	2.9
562.33948	0.7
600.31000	0.8
603.31366	0.8
618.32385	1.2
724.41028	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	723.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	0.2
59.04995	0.6
60.04514	0.3
61.02922	0.3
67.05479	0.2
69.03416	0.7
69.07086	0.2
70.06586	2.7
71.04981	0.5
71.06921	0.2
71.60175	0.3
71.97411	0.2
72.08147	0.5
73.02908	1.9
73.06555	2.7
81.03403	0.2
82.79962	0.2
84.04492	0.4
84.08153	0.9
85.02898	0.4
86.06049	0.3
86.09704	1.4
87.04459	20.3
89.06023	100.0
90.06342	0.4
91.05469	0.4
91.07586	0.6
94.06592	0.2
95.04972	0.4
97.06515	0.4
98.06103	0.2
107.04954	2.0
107.07059	5.6
110.07162	0.3
113.06017	0.6
115.07545	0.3
117.09125	1.9
120.08090	0.5
121.06516	0.2
122.06103	0.2
129.10242	0.4
130.08614	1.5
131.07028	4.5
133.08589	53.4
134.08949	0.4
135.10127	0.4
136.07565	0.5
137.05885	0.4
137.82144	0.2
145.06404	0.2
146.06001	0.3
151.09625	0.5
152.07141	0.2
159.10156	0.4
161.11726	0.4
175.09671	2.7
177.11208	13.1
192.06529	0.4
193.10616	0.2
209.09265	0.4
215.06950	0.3
219.12257	0.6
221.13826	1.0
223.15326	0.3
239.14812	0.4
259.09418	0.3
272.12689	0.6
283.17596	0.6
288.16367	0.2
329.06659	0.2
329.11197	0.2
351.16217	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.9
57.03431	1.2
57.07058	3.4
61.02911	4.6
61.13224	0.9
67.05484	2.8
69.03416	3.2
69.07031	0.9
69.84523	6.5
71.08608	3.0
71.16330	1.0
73.02908	3.2
79.05477	2.6
81.03412	2.0
81.07032	2.9
83.08617	1.3
85.02889	4.0
86.09747	1.3
91.03956	1.5
93.07037	2.7
95.08586	4.5
97.02880	3.6
101.02377	2.1
104.05548	1.1
105.07012	2.9
107.04887	1.4
135.11708	3.8
145.10146	2.6
163.11180	3.1
184.07333	2.5
185.04210	1.3
227.12816	2.1
243.08356	1.9
246.47762	1.2
249.10948	6.7
305.13675	1.4
340.21036	1.1
353.43314	1.1
450.94449	1.1
467.19028	14.3
497.30905	7.7
722.50574	2.5
723.42590	100.0
724.43146	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	723.429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.6
55.01863	4.5
55.05290	1.6
55.05508	17.2
57.03423	8.0
57.07066	3.1
59.04985	2.0
59.90769	1.2
60.93766	1.4
61.02925	17.3
65.03940	2.0
67.05496	43.8
68.28429	1.6
69.03418	13.6
69.07061	14.6
71.04983	5.5
71.60725	2.7
73.02921	11.4
79.05487	29.0
79.89738	1.4
80.22500	1.5
81.03416	10.7
81.07049	37.6
82.07407	1.5
83.04968	5.9
83.08606	10.5
85.02898	18.9
85.06544	3.6
87.04479	1.9
91.03941	8.9
91.05468	28.1
92.05790	1.6
93.07035	32.0
95.04964	8.1
95.08601	23.5
97.02874	16.3
97.06521	6.4
97.10165	12.3
99.04443	2.6
101.02347	2.4
105.07028	28.0
107.04956	7.1
107.08581	23.2
109.02860	1.3
109.06521	4.1
109.10139	19.4
109.85561	1.3
111.08057	4.1
115.05432	2.8
117.07010	13.1
119.08566	24.0
121.06531	3.7
121.10139	12.0
123.08066	4.8
123.11668	3.7
125.09617	9.2
127.03899	4.6
128.06226	3.5
129.06972	10.2
130.07732	1.6
131.08563	26.5
133.06506	2.5
133.10106	16.3
135.08041	3.0
135.11684	6.2
137.05968	6.3
137.09610	2.4
139.11188	4.9
141.07005	6.4
142.07814	2.7
143.08574	12.1
145.10112	18.8
146.29701	1.3
147.08055	2.8
147.11684	10.0
149.09633	4.1
149.13251	2.6
150.46858	1.6
153.06987	1.7
153.09096	1.4
155.08530	7.4
157.10110	11.8
159.08008	3.2
159.11703	15.9
161.09523	1.7
161.13260	3.9
163.11191	2.1
165.09135	2.2
167.08562	2.6
169.10088	9.4
171.11606	9.4
173.09631	1.9
173.11696	4.4
173.13264	7.8
175.11159	2.2
181.10139	3.5
183.11705	5.8
184.07364	1.6
185.13257	6.2
187.11162	2.4
187.14857	4.0
189.11217	5.6
189.12764	2.1
193.10052	1.8
193.12251	1.9
195.11697	1.7
197.13266	4.0
199.14810	4.2
203.14563	1.4
207.11713	1.8
209.13213	2.1
211.14828	2.6
213.16469	1.7
217.15903	1.7
223.14885	2.8
227.12784	4.7
229.14410	4.7
233.20946	1.6
237.16289	1.6
241.14349	1.8
243.08296	1.5
253.17975	1.5
257.19009	2.1
259.15436	2.0
259.20593	2.0
273.18527	2.0
275.20096	4.6
283.20541	2.7
285.19370	1.6
285.22073	7.5
287.20148	2.0
291.19742	1.7
299.23755	3.7
301.21530	2.1
315.22949	2.0
327.22952	1.6
333.20395	1.7
339.23306	2.6
349.23743	1.9
357.24265	1.9
396.10236	3.5
413.17657	9.7
415.30212	2.4
433.31088	7.7
443.27786	1.8
451.31906	8.6
461.28732	2.1
469.33200	6.3
485.32150	1.8
487.34256	4.2
507.34424	2.6
525.35669	31.6
526.35913	1.9
543.36768	65.8
544.37024	1.8
551.28015	3.3
559.37012	1.6
561.37787	51.5
687.40491	2.0
705.41687	2.4
723.39136	100.0
724.39050	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	722.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.05502	1.0
57.07070	16.4
59.05003	0.8
67.05521	0.6
69.03447	0.5
69.07072	1.6
71.08627	33.4
73.02933	0.8
73.06557	2.7
76.59512	0.5
79.05496	1.1
83.08638	0.7
85.10175	21.2
87.04462	24.5
89.06024	100.0
91.05473	9.1
91.07599	0.9
93.07048	4.2
95.04971	2.0
95.08598	0.8
103.05468	1.2
104.06244	0.6
105.07027	3.5
107.04924	2.5
107.07080	2.7
107.08595	2.1
109.10155	0.5
109.41268	0.5
117.06974	1.0
117.09133	1.6
119.04910	2.0
119.08575	3.7
121.06491	14.8
121.07361	0.9
121.10119	1.2
127.14752	2.7
130.08630	1.5
131.07040	12.9
131.08559	1.5
131.91779	0.6
133.08591	74.7
135.08067	3.9
135.10146	0.7
135.11656	1.4
136.05161	1.0
142.29076	0.5
145.10117	1.0
147.08038	8.7
147.11528	0.5
149.08731	0.5
149.09647	5.0
150.06709	1.2
151.40311	0.5
159.11708	0.9
163.11168	1.7
164.08334	0.8
165.09102	8.5
167.10681	1.6
173.09691	0.7
175.08417	0.6
175.09705	7.1
175.11108	0.6
177.11214	28.2
177.12566	1.0
184.07339	2.1
191.10657	3.8
191.14308	0.6
193.12248	2.1
207.13921	0.8
209.11702	4.3
211.13268	3.2
219.12207	1.2
221.13802	4.8
235.13330	3.8
239.14876	0.9
245.18747	0.8
247.18596	0.6
247.20551	16.5
253.14308	0.8
255.15884	2.6
261.22101	0.6
265.16351	1.4
272.86688	0.6
273.22092	4.7
279.15759	2.1
282.05960	0.6
283.17349	1.4
289.22055	0.7
289.25159	2.6
291.23148	36.7
291.39005	0.5
292.23401	0.7
299.18402	1.0
309.19055	0.7
315.17892	0.7
317.24661	2.4
327.19952	1.1
335.25793	9.1
339.82834	0.5
353.21600	0.9
372.54672	0.6
400.81287	0.6
458.79034	0.5
544.26599	0.6
579.34247	2.4
643.13794	0.6
661.44757	0.9
705.47852	5.5
722.50592	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	723.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
55.01863	0.4
55.05511	1.6
57.03442	1.9
57.83875	0.3
59.04992	0.7
61.02923	4.8
61.58108	0.3
62.26599	0.3
65.83470	0.3
67.05501	9.5
69.03419	2.8
69.07066	2.1
69.93822	1.4
70.04074	4.3
71.01347	0.6
71.04977	0.7
73.02920	3.8
79.05481	3.0
79.05908	0.4
81.03423	1.7
81.07053	3.9
83.04980	0.4
83.08609	0.9
85.02905	4.6
89.17657	0.3
91.03947	2.6
91.05472	2.5
93.07037	2.6
95.04953	0.7
95.08595	1.9
97.02888	4.1
97.06546	0.5
97.10207	0.3
97.38374	0.3
98.21482	0.4
99.04446	0.9
101.02366	1.6
101.02950	0.3
103.04000	0.3
103.04758	0.3
105.06999	1.6
107.04924	0.4
107.08602	1.3
109.02887	0.8
109.10148	7.2
117.07018	0.7
119.08578	3.3
120.08974	0.4
121.10175	0.9
125.02366	0.3
125.09610	0.3
127.03896	1.5
127.29144	0.3
131.08583	0.8
133.10112	0.8
135.08084	0.4
135.11711	0.6
137.09645	0.5
145.10127	0.6
147.11652	0.5
149.13321	0.3
155.10677	0.3
173.11728	1.9
185.04288	0.5
191.83154	0.3
195.09911	1.0
203.05330	0.3
229.14391	0.8
243.08376	2.9
251.12566	0.3
287.07596	0.3
301.08826	0.4
308.15332	1.0
309.15393	0.7
312.47824	0.3
333.20432	1.9
413.17764	10.4
439.19421	0.7
453.21219	0.5
485.19882	0.5
527.24805	0.3
543.36115	0.3
551.28162	5.7
561.34467	0.3
723.39197	100.0
724.39941	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	722.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51103	0.7
53.03920	1.8
55.01849	2.3
55.05505	6.3
57.03433	8.1
57.07045	1.1
61.02904	1.1
67.05180	0.9
67.05499	12.3
69.03420	3.5
69.07063	5.3
70.06564	2.7
70.99955	0.8
71.00282	1.1
71.04967	2.9
72.08125	0.7
73.02892	1.6
79.05489	17.0
81.03414	40.3
81.07054	17.5
83.04972	4.7
83.08616	13.9
85.02870	2.7
85.06557	0.7
86.09686	1.0
87.04458	0.8
91.03931	0.9
91.05473	13.2
91.88660	0.7
93.07037	25.1
95.04365	0.7
95.04961	16.7
95.08600	18.0
97.02885	4.8
97.06497	2.9
97.10130	1.9
99.04417	2.4
105.07019	10.6
107.04948	10.4
107.08588	16.6
109.06522	3.0
109.10125	2.6
111.04452	3.6
111.08062	4.7
113.05991	0.9
115.05450	0.8
117.07002	6.2
119.08581	10.7
121.06509	5.8
121.10133	8.7
123.08035	1.6
125.05974	1.4
125.09553	1.1
127.03902	0.9
128.06163	0.8
129.05472	0.8
129.06999	5.0
131.08543	5.9
133.06480	1.8
133.10126	5.0
135.08028	2.4
135.11685	28.7
139.07497	2.1
141.21841	0.6
142.07765	1.1
143.08548	1.2
145.10109	15.4
147.08022	2.0
147.11664	5.0
149.09634	3.5
153.12755	1.2
157.10132	6.7
159.11572	0.7
163.11169	43.9
165.12711	1.4
173.09515	0.9
175.11182	6.0
181.12238	8.5
184.07294	1.5
193.12227	13.3
209.11632	1.7
211.13319	1.9
227.12769	44.0
229.14366	0.8
249.14766	1.6
267.15897	93.0
268.16162	1.7
275.20151	0.7
281.17596	1.0
283.15378	60.3
301.13348	1.0
475.26898	100.0
476.27448	1.9
493.27841	1.2
507.29633	2.4
517.27954	1.4
542.30695	1.6
560.32031	1.3
645.85797	0.8
722.40857	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	722.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
55.50650	0.2
56.05026	0.7
56.44578	0.2
56.45136	0.2
58.06591	0.9
62.55816	0.3
68.05036	2.0
69.07064	0.7
70.06590	45.8
71.05003	0.3
71.06921	0.4
72.04482	0.3
72.08150	8.4
73.02911	0.9
73.06551	0.3
79.05492	0.4
83.35404	0.2
84.08136	5.3
85.02899	0.3
86.06052	0.6
86.09703	2.4
87.04459	0.5
88.07623	2.3
89.06030	8.9
91.05523	0.3
94.06552	0.5
95.06097	0.3
96.08123	3.2
98.06029	0.3
98.09684	0.9
98.21609	0.5
107.04956	2.1
107.31482	0.3
112.07598	1.0
114.09162	43.5
116.10736	0.6
119.04992	0.3
119.06040	0.2
120.32298	0.2
129.10172	0.4
130.06514	0.3
131.04932	0.4
132.10202	1.1
133.06522	0.7
133.08617	0.7
136.07578	0.4
158.11760	1.9
176.12845	1.3
182.04997	0.3
188.07077	0.4
192.40776	0.2
192.79071	0.2
202.14314	1.4
217.15782	0.3
217.89125	0.2
220.15469	1.1
226.17444	0.3
246.17007	0.8
264.18118	2.4
266.10995	0.3
290.19531	0.5
308.20673	3.2
352.23270	3.7
396.26010	3.2
440.28503	2.3
484.31158	1.1
528.33771	0.5
722.45288	100.0
723.45728	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	722.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	0.1
60.14614	0.1
65.03936	0.3
67.05477	0.3
70.06585	0.7
71.04985	0.2
79.05460	0.4
82.06568	0.1
84.08128	0.3
85.02876	0.2
86.06036	0.3
86.09675	0.3
87.04446	0.1
89.03912	0.8
91.05470	0.2
93.07021	0.5
94.06561	0.7
95.04951	0.2
95.07346	0.3
96.08115	0.7
97.02882	0.1
97.06464	0.1
98.06034	0.3
107.04947	5.5
108.08086	0.4
109.10123	0.3
110.09663	1.0
116.04969	3.6
120.08091	1.0
121.06516	0.1
121.10145	0.1
122.05999	1.4
124.07551	0.5
134.05954	0.3
136.07562	1.5
138.05446	0.1
138.09119	1.0
142.83682	0.1
144.04430	8.3
145.05142	0.2
146.05940	0.1
148.07541	0.4
149.09622	0.1
152.07030	0.2
154.08629	1.1
162.05489	4.4
166.08626	2.5
172.03914	48.4
173.04297	0.3
174.05487	0.1
189.04228	0.2
190.04971	1.0
204.06538	100.0
205.06880	0.8
229.14102	0.2
251.11763	0.2
252.15860	0.2
259.10114	0.1
260.12766	1.3
267.15961	0.1
279.11230	0.2
286.10693	0.2
288.53818	0.1
297.12286	0.2
325.11798	1.2
329.14874	1.2
339.13394	1.3
343.12833	0.4
357.14410	15.8
358.14685	0.3
364.15491	0.7
366.16968	4.6
421.25848	0.2
469.52255	0.1
516.31616	0.3
542.33014	0.5
546.95990	0.1
584.23724	0.7
704.38269	0.3
722.38495	0.2
723.18701	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57543	0.6
52.58970	0.5
53.03927	1.1
55.01862	0.9
55.05507	3.1
56.05027	1.0
57.03423	2.1
61.01151	0.6
61.02927	4.4
67.05503	4.1
67.36136	0.5
68.02792	0.5
69.03420	3.6
69.07073	0.7
70.06588	4.8
70.55952	1.0
70.56295	0.9
71.04989	1.1
72.08147	1.7
73.02921	3.9
79.05489	1.9
80.04996	0.6
81.03406	2.9
81.07056	3.1
83.04967	0.6
83.08614	0.9
84.08130	2.0
85.02893	5.5
86.06068	1.2
86.09693	3.2
87.04460	18.0
91.03940	2.4
91.05473	1.7
93.07034	2.3
94.06564	1.5
95.04934	1.7
95.08602	2.2
96.64869	0.6
97.02879	4.6
99.04434	1.0
101.02399	0.9
105.07025	1.6
106.06580	0.9
107.04945	12.8
107.05612	0.9
107.08578	1.8
108.05267	1.7
109.06470	0.7
109.10162	1.2
111.08098	0.6
115.05448	0.5
117.05726	0.6
118.06503	2.8
119.08569	0.9
120.08084	2.6
127.03928	1.3
129.10269	0.6
130.06496	3.3
132.08093	2.2
133.10126	0.9
134.05984	2.1
138.71648	0.7
144.08063	1.8
146.05992	5.4
146.09584	0.6
147.06747	1.0
147.11649	0.9
148.07576	1.0
152.07079	0.7
156.08070	1.1
158.05997	1.0
158.09567	1.0
158.97624	0.6
159.08101	0.6
160.07602	1.1
168.08080	0.8
172.03900	0.8
172.07527	0.9
172.11174	0.8
184.07430	0.7
200.14267	0.7
204.06610	2.0
230.15434	1.1
232.09583	1.3
242.15283	1.2
246.14716	1.0
258.14716	0.7
260.16449	0.7
272.12811	1.3
272.16507	1.0
273.13077	1.5
273.48691	0.6
325.11951	0.8
354.24182	3.7
364.22781	3.0
372.25525	1.2
382.23758	13.3
400.24789	12.8
418.25797	1.2
456.27344	4.2
474.28354	7.1
504.29459	2.6
509.27750	0.7
510.27652	0.7
542.33423	0.7
546.35822	0.7
559.33881	1.1
560.32477	10.1
615.31781	0.8
616.32025	1.4
704.38751	1.3
722.37421	100.0
723.37756	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	721.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	2.0
53.03939	6.1
55.01859	4.8
55.05502	25.2
57.03435	13.2
57.07061	3.9
61.02910	5.0
65.03932	2.7
67.05498	70.9
69.03429	12.7
69.07063	22.4
71.01348	2.0
71.04986	30.3
71.08614	1.5
73.02910	5.2
73.06579	2.0
77.03927	2.0
79.05488	52.5
79.05957	2.6
81.03410	30.6
81.07051	91.1
83.04980	9.2
83.08616	14.0
85.02909	9.6
85.06549	8.9
87.04459	8.2
89.06022	24.5
90.06368	2.2
91.03931	2.2
91.05475	53.0
93.07035	46.9
95.04968	16.1
95.08598	31.4
95.69262	1.3
97.02868	7.9
97.06531	10.0
97.10160	6.2
99.04444	3.7
99.08067	1.7
103.05485	4.2
105.07023	100.0
106.07355	8.3
107.04942	5.0
107.08582	29.9
109.02852	8.6
109.06508	6.8
109.10158	15.1
110.31774	1.2
111.04418	2.1
111.08103	3.3
113.06023	2.4
115.05447	3.6
115.07549	1.6
117.07005	17.9
119.08569	28.3
121.06500	7.0
121.10129	18.2
123.04454	1.5
123.08086	4.8
123.11707	12.6
125.09598	1.8
127.03907	4.8
127.42367	1.3
128.06218	4.0
129.05479	3.4
129.06990	13.5
131.08563	32.4
133.06502	2.8
133.08586	14.6
133.10110	31.9
134.08928	1.5
135.08086	4.8
135.11665	15.0
137.05937	1.5
137.09630	1.6
141.06963	3.6
142.07771	3.9
143.08533	11.7
145.06473	2.3
145.10126	22.1
147.08023	11.1
147.11679	25.4
148.08430	1.9
149.09657	6.8
149.13249	8.8
151.11209	4.9
155.08569	8.8
157.10110	14.7
159.08018	2.7
159.11693	20.2
161.09625	3.9
161.13257	9.0
163.11255	1.9
163.14871	1.6
165.07040	2.3
165.12794	1.7
166.07771	2.1
166.09053	2.1
167.08554	3.4
169.10118	7.7
171.07999	2.3
171.11678	12.8
173.04440	12.3
173.09656	2.0
173.13258	11.0
175.11174	4.4
175.14812	3.8
177.11240	4.3
177.12762	4.0
179.08513	2.1
181.10123	4.9
183.11700	8.2
183.13326	1.3
184.07304	3.4
185.09779	1.8
185.13269	6.2
187.13271	5.4
187.14835	5.5
188.10435	2.0
189.12578	1.9
193.10152	1.8
193.12250	3.6
195.11681	3.8
195.13718	2.4
197.13283	5.7
199.11270	1.9
199.14890	3.7
201.14783	2.5
201.16513	2.6
207.11679	2.6
208.13437	2.3
209.09605	1.9
209.13301	3.3
211.14861	2.9
213.12714	1.5
213.16444	2.2
221.13322	2.0
223.14819	3.4
225.12729	5.4
225.14813	2.6
227.16368	4.1
239.17937	1.7
241.19504	5.7
243.15843	6.6
243.21042	2.4
257.17169	2.4
257.19336	2.9
259.20724	10.4
261.22177	4.8
267.15976	3.7
269.17459	4.4
273.18771	2.1
273.21701	1.4
275.20090	4.1
283.17529	1.7
283.20377	1.8
285.22165	2.8
291.19818	2.1
299.18475	1.9
315.23178	3.3
317.24756	2.4
327.23367	1.8
331.22473	2.1
333.24164	7.3
335.25705	2.9
336.53888	1.4
349.21442	2.2
351.23163	3.9
367.22528	3.9
369.23807	1.5
385.23444	2.5
393.31369	1.8
409.31308	2.1
411.32443	4.6
413.21893	3.0
435.32556	4.7
441.26184	1.4
445.24170	2.7
464.77643	1.5
485.36127	4.7
501.35748	20.2
503.13382	1.8
503.37256	58.8
504.37735	2.6
509.36044	3.1
515.37036	1.8
525.34875	1.5
527.37354	31.0
530.27576	1.8
533.38495	1.9
541.35052	2.4
545.37921	3.0
557.37561	1.7
559.39526	5.6
569.38593	1.6
617.38116	1.6
623.42810	2.6
635.38806	3.3
653.39972	4.1
667.41675	4.5
671.41266	4.1
685.42645	2.8
689.42444	9.6
703.42969	5.0
721.39001	5.7
721.50739	2.8
738.40088	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
53.62711	0.2
55.01863	1.2
55.05510	3.4
57.03436	2.3
57.07068	0.5
59.04986	0.4
61.02917	3.8
65.03933	0.4
67.05496	12.1
69.03422	3.8
69.07058	3.4
69.91891	1.3
71.01360	0.3
71.04982	1.7
73.02910	2.9
77.74335	0.3
79.05484	5.5
81.03413	4.8
81.07047	7.0
83.04989	1.5
83.08601	2.2
85.02901	3.9
85.06516	0.5
89.06023	1.3
91.03937	2.1
91.05466	5.2
93.07032	4.8
95.04962	2.1
95.08585	3.7
96.36864	0.3
97.02878	4.4
97.06505	1.8
97.10152	1.7
99.04467	1.1
101.02387	1.2
103.05470	0.3
105.07019	7.3
106.07389	0.5
107.04935	1.5
107.08590	2.8
109.02884	1.2
109.06532	0.9
109.10147	7.8
111.04420	0.5
111.08089	0.8
115.03918	0.4
117.06995	1.5
118.17770	0.3
119.08555	3.4
121.06507	0.9
121.10104	1.5
123.08047	0.6
123.11729	0.6
125.09631	1.1
127.03941	1.3
128.06169	0.4
129.05507	0.3
129.06985	1.1
131.08557	2.0
133.06503	0.4
133.08635	0.7
133.10083	2.1
135.08025	0.8
135.11702	0.8
135.95456	0.3
137.09631	0.3
141.06944	0.5
142.07805	0.3
143.08556	1.1
145.06476	0.4
145.10112	1.7
147.08051	0.7
147.11641	1.5
149.09615	0.8
149.13272	0.4
151.11189	0.4
155.08539	0.4
155.10634	0.3
157.10136	0.8
159.08072	0.4
159.11714	1.2
161.09648	0.4
161.13245	0.6
163.11166	0.9
169.10104	0.4
171.11714	1.1
173.04486	0.4
173.11755	1.9
173.13225	0.5
175.11191	0.3
183.11739	0.5
185.04178	0.7
185.13269	0.4
189.11226	0.6
193.12305	0.3
195.09984	0.8
195.11624	0.3
197.13135	0.4
220.91277	0.3
223.13356	1.0
227.12808	0.5
229.14395	1.3
243.08409	3.0
243.15810	0.4
257.13724	0.3
259.20798	0.5
267.15985	0.9
273.18484	0.6
275.20093	1.7
291.19421	1.6
331.18875	1.3
333.24399	0.4
349.23886	0.6
365.23779	0.4
385.18604	0.3
387.21237	0.5
413.17740	8.8
413.22952	0.5
467.31525	0.4
485.19870	0.4
501.35629	0.4
503.37381	2.0
515.33350	0.4
527.37695	0.5
541.35382	2.2
549.26636	5.2
559.36218	1.1
623.43011	0.3
645.94641	0.3
703.40375	0.9
721.37573	100.0
722.37872	2.1
735.89716	0.3
737.60034	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99848	2.4
59.50221	1.6
64.43729	1.6
69.03439	2.2
71.58482	2.6
77.00898	4.7
85.02877	2.0
91.05476	5.2
91.73959	1.6
97.02875	1.9
101.00868	4.5
101.78674	1.6
115.02397	2.6
117.03330	1.7
119.01911	35.4
119.04948	13.8
131.01889	12.7
133.03441	2.3
133.06473	2.2
137.02942	6.7
143.01909	14.2
145.03508	11.4
147.01387	5.4
147.04393	100.0
149.02989	1.8
150.96846	1.8
155.01871	14.9
157.03415	9.1
161.02937	26.4
163.04503	2.5
167.01880	3.6
169.03500	3.0
173.02977	34.1
174.96878	4.4
175.04514	3.2
177.05461	3.7
179.01736	2.2
185.02953	29.8
186.96896	5.5
187.04535	5.7
191.04016	3.1
197.02917	10.4
201.02448	2.6
203.04015	15.6
205.03503	9.0
213.02362	3.2
215.04021	8.8
216.97971	2.9
221.04958	9.9
223.04498	18.6
227.03992	5.7
229.03494	6.7
233.02986	2.2
237.06029	3.7
239.06119	7.0
241.03488	2.9
241.05650	11.9
243.05168	2.8
245.05069	62.3
246.05453	2.1
247.04549	39.2
257.05045	4.6
259.04688	14.0
261.06024	6.3
263.06128	15.5
265.05548	35.0
273.06064	3.0
275.02451	5.4
275.06131	18.9
277.04047	3.3
279.07300	2.8
283.06747	8.7
285.04538	6.5
287.04013	15.5
289.05548	6.3
291.07248	2.6
293.07169	2.9
299.03888	3.1
301.05695	2.1
303.05704	2.8
305.07355	13.8
307.06558	7.3
317.04211	2.1
319.06860	2.1
329.04919	2.1
335.08276	3.5
347.05710	1.9
349.07736	13.6
359.04822	5.2
361.03906	11.9
365.09399	12.6
367.08844	17.5
377.05545	9.2
379.05228	5.7
389.07117	3.6
391.08618	3.1
395.06729	4.7
397.06204	15.5
403.05011	5.0
405.06424	3.1
409.09515	3.0
421.06015	24.6
431.08154	10.0
433.06201	3.1
439.06995	15.4
449.09192	7.0
451.07355	8.1
457.08316	4.7
469.07925	2.7
481.07953	5.1
499.09006	4.0
505.07849	3.4
523.09363	14.7
529.13837	8.3
539.10596	5.1
541.10217	11.6
550.38263	2.0
559.11029	2.1
606.01819	2.0
611.14008	3.0
612.93848	1.8
685.13824	4.8
703.15442	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	718.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.5
53.27917	1.2
55.01860	2.0
55.05507	7.9
57.03200	1.4
57.03438	11.1
57.07074	33.5
64.75096	1.1
67.05497	16.0
69.07066	10.4
71.04996	2.4
71.08273	2.1
71.08630	23.3
73.02921	3.0
79.05491	18.9
79.88757	1.1
81.07051	21.1
83.04987	3.5
83.08617	16.1
85.10178	13.0
89.06025	5.3
91.05485	6.9
93.06466	1.9
93.07040	25.5
95.04951	5.5
95.08602	43.4
96.76515	1.1
97.02873	3.7
97.06532	2.2
97.10157	4.3
98.28908	1.1
99.04449	3.6
100.29304	1.1
105.07024	8.1
107.04951	6.4
107.08600	21.9
109.06478	2.2
109.10164	9.2
111.08055	1.6
117.07023	8.9
117.09077	1.4
119.08564	9.4
121.06496	5.6
121.10136	11.8
123.11665	2.7
125.05950	2.9
130.07744	1.5
133.08618	2.8
133.10092	2.2
135.08078	1.8
135.11688	44.6
145.10104	25.2
145.48163	1.2
163.11179	57.1
166.49266	1.3
181.12215	10.2
227.12766	60.2
257.24747	1.7
283.15390	92.5
313.27338	100.0
314.27704	2.9
521.38379	97.5
522.38422	1.8
622.27240	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	718.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.9
52.73052	0.7
53.03938	2.9
54.06093	0.7
55.01869	4.5
55.05509	17.0
56.04977	0.7
56.94286	0.7
56.96549	0.9
57.03433	11.5
57.07059	2.5
59.05004	4.6
61.02915	3.4
65.03941	2.1
67.05500	100.0
69.03424	7.1
69.07060	17.3
70.95853	1.4
71.04992	5.7
71.29722	0.9
71.30051	1.0
72.93767	4.2
73.02901	2.1
79.05486	28.8
80.05817	1.8
81.03413	13.9
81.07052	46.9
82.03777	1.2
82.07367	1.0
83.04974	8.1
83.06106	0.8
83.08614	11.5
85.02895	5.6
85.06547	4.1
86.09719	1.1
87.04424	0.9
89.05999	0.9
90.94807	2.9
91.03950	2.4
91.05471	30.2
92.05791	1.1
93.04491	1.1
93.06461	1.9
93.07037	31.3
95.04965	9.0
95.06110	1.2
95.08038	1.5
95.08601	19.1
96.08912	0.9
97.02879	4.0
97.06518	8.3
97.10142	3.1
99.04431	1.3
99.08066	2.7
103.03947	0.9
105.07024	20.4
106.07349	1.2
107.04955	5.4
107.08585	19.3
108.08921	0.9
108.95850	1.1
109.02869	2.3
109.06525	4.7
109.10146	72.3
110.07134	2.5
111.04418	1.2
111.08065	7.8
113.05983	0.9
115.05418	1.3
117.07014	8.7
119.04874	0.9
119.08570	18.6
120.08984	0.9
121.06499	5.0
121.10138	8.5
123.08066	2.0
123.11681	1.9
124.76981	0.9
125.09615	2.9
127.03896	2.1
128.06149	0.9
129.06984	3.7
131.08562	13.5
133.06499	1.6
133.10129	11.0
134.53368	0.7
135.08032	2.9
135.11684	8.3
137.09567	4.1
143.08534	3.2
145.06505	1.8
145.10094	7.7
147.08040	1.6
147.11650	6.0
148.99005	1.1
149.09630	5.6
149.13237	6.3
151.11179	1.3
155.08542	1.6
155.10675	2.5
157.10117	2.8
159.11690	6.6
161.09607	1.5
161.13242	2.1
163.11194	4.3
165.12668	1.1
169.10156	2.2
171.11681	3.0
173.04419	2.3
173.09515	1.0
173.11748	22.5
173.13243	2.5
175.11182	1.6
176.98393	0.9
177.12756	2.2
179.14249	1.0
183.11656	1.5
184.07326	1.3
184.86525	0.9
185.13277	1.2
189.11258	1.1
189.12746	1.2
193.12350	1.0
195.13826	2.7
197.13274	1.6
207.13869	1.4
213.14861	1.0
227.12794	3.5
229.05302	1.4
229.14331	69.4
233.15300	1.1
239.17941	1.2
245.04724	1.9
247.20441	1.2
251.16550	1.4
253.05247	1.3
253.14240	1.1
255.15976	6.3
257.18997	4.6
259.06342	1.5
267.06845	3.2
267.15897	1.8
269.17465	17.7
271.06296	3.8
275.20041	15.4
276.20285	1.8
281.17584	1.4
282.17844	1.2
283.06244	1.4
285.07843	3.3
291.19440	1.3
293.21149	1.3
298.04785	1.1
308.09363	1.2
331.22763	1.3
339.18115	0.9
349.14557	9.2
349.23694	12.6
350.24005	1.0
365.13962	1.2
367.15607	6.2
367.24701	2.7
383.24194	3.4
390.17291	2.0
409.25827	21.1
423.27374	83.0
424.27939	1.4
491.17139	1.2
503.33640	16.8
521.34821	6.2
556.36688	2.6
567.31262	2.0
578.13104	2.8
618.16315	3.8
718.46930	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	718.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.6
55.01871	4.0
55.05256	1.3
55.05506	17.6
57.03434	12.5
57.07068	1.9
59.04998	4.9
59.71027	0.6
61.02929	2.6
61.07200	0.6
65.03938	2.4
67.05500	100.0
69.03432	4.7
69.07063	17.6
69.16187	0.7
71.04991	4.4
71.11587	2.0
73.02920	1.1
79.05490	25.2
79.05960	1.2
81.03420	7.0
81.07051	41.1
83.04977	6.5
83.08619	10.8
85.02895	4.5
85.06540	3.6
87.04434	0.7
91.03944	2.0
91.05471	24.2
93.07036	28.1
93.07619	1.6
95.04955	7.1
95.06027	0.7
95.08601	18.0
97.02898	3.9
97.06519	7.6
97.10162	6.7
99.08099	1.7
103.05433	0.8
105.07019	17.4
105.07669	1.3
107.04947	6.0
107.08592	18.4
109.02859	1.7
109.06529	3.4
109.10148	72.2
110.07162	1.8
111.08067	4.8
113.09674	0.9
117.06999	8.6
119.08576	16.0
121.06532	3.1
121.10136	6.9
123.08105	1.4
123.11669	1.6
125.09609	6.2
127.03935	1.7
129.07004	2.2
130.07790	1.0
130.50687	0.7
131.08548	9.4
133.06496	0.9
133.10112	8.8
135.08067	2.9
135.11690	7.8
137.09595	4.4
141.07022	1.7
143.08609	2.0
145.10120	8.3
147.11682	4.9
149.09622	7.1
149.13280	4.3
151.11246	1.3
155.08588	1.9
155.10626	3.7
157.10136	1.7
159.11674	5.8
161.09656	1.1
161.13312	2.3
163.11157	4.6
169.10187	1.5
171.11743	2.1
173.04630	1.0
173.11751	19.3
173.13293	2.4
177.12862	2.3
179.14284	1.2
181.12186	0.9
183.11743	1.5
185.13306	1.9
187.11116	0.9
189.11287	3.1
195.13864	2.6
197.13319	1.3
227.12773	12.5
229.14331	55.1
229.19327	1.4
239.18004	2.4
255.15903	3.9
257.18958	5.6
267.15857	1.0
269.17508	8.4
275.20035	18.6
284.16147	0.8
293.21298	1.5
325.20132	0.9
331.22855	2.0
333.24265	0.7
349.23694	16.8
367.24915	0.8
383.24188	0.8
399.23935	3.0
407.28006	2.1
409.25848	13.9
413.21680	0.9
423.27383	44.9
432.98532	0.8
463.30762	1.7
503.33670	24.6
504.34210	1.2
521.34869	3.9
543.27448	0.8
567.32251	1.2
612.35107	2.0
718.46509	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	718.436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68256	1.1
53.03937	2.9
53.40542	1.0
55.01856	5.1
55.05502	17.2
57.03431	14.5
57.07069	2.3
59.04990	6.2
61.02910	5.1
65.03931	1.9
67.05499	100.0
69.03410	5.5
69.07059	18.0
70.28185	5.5
71.04976	4.0
73.02905	1.2
79.05061	2.0
79.05487	27.9
81.03421	7.5
81.06578	2.3
81.07048	40.3
83.04964	3.9
83.08614	10.4
85.02889	3.9
85.06530	3.4
87.04462	1.6
91.03889	1.2
91.05469	29.2
93.07028	25.7
95.04947	5.3
95.08602	20.5
97.02868	4.9
97.06509	6.7
97.10150	7.5
99.04411	1.4
105.07022	25.6
107.04918	4.6
107.08585	24.0
109.02850	1.5
109.06505	4.9
109.10146	72.1
110.07141	3.2
111.08066	5.1
117.07017	10.7
119.08564	19.4
121.06496	1.9
121.10124	9.7
123.08023	3.1
123.11665	1.6
125.09628	7.2
127.03930	2.3
129.06995	4.4
131.08548	13.1
133.10114	14.2
135.08025	3.4
135.11687	8.8
137.09583	3.4
139.11244	1.4
143.08554	4.1
145.10112	10.3
147.08183	1.3
147.11658	8.6
149.09642	7.8
149.13237	4.1
153.09108	1.3
155.08588	1.9
155.10638	2.6
157.10080	4.5
159.11685	9.4
161.13264	2.4
163.11151	5.7
166.31282	1.4
168.09309	1.2
169.10056	2.1
171.11658	4.1
173.04506	1.4
173.11752	20.8
173.13264	3.1
175.11214	1.6
177.12653	1.6
183.11726	2.5
185.13194	4.5
187.11092	1.6
187.14806	1.3
189.11203	4.4
191.14221	1.7
195.13684	1.6
197.13260	2.2
199.14760	1.8
219.17441	1.6
227.12772	16.8
229.14333	68.5
239.17923	4.2
255.15869	2.9
257.18982	10.6
267.15866	2.1
269.17453	8.2
275.20020	26.3
291.19717	2.0
293.21115	2.4
331.22644	2.1
349.23706	21.9
383.24133	2.6
399.23764	3.9
409.25674	8.5
423.27380	29.3
463.30566	2.6
485.32611	1.5
503.33624	33.3
521.34454	2.5
567.31714	1.6
611.13361	1.7
718.46973	3.4
734.26886	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11911	0.6
56.96571	14.3
61.35137	0.6
65.62080	0.7
67.05494	1.2
71.58584	1.0
71.95244	2.7
72.96026	0.9
74.97614	1.7
77.67261	0.6
79.05492	0.8
81.07041	1.2
84.96012	1.6
91.05474	0.8
95.08576	0.7
97.96811	1.9
110.97630	1.1
115.97857	1.7
116.98658	1.4
128.98636	2.2
133.98880	1.3
134.99631	0.8
146.99648	4.5
155.03816	0.8
160.00484	1.3
161.01227	1.1
165.00722	1.5
170.86685	0.6
173.01241	1.7
173.04799	0.8
184.07317	0.7
185.01210	0.9
185.04839	1.3
185.98283	0.8
187.02844	0.8
189.04375	2.1
198.05678	0.9
199.02769	1.0
199.06450	2.5
201.04547	0.8
203.05852	3.3
205.07419	1.1
213.07988	2.1
216.06688	1.3
217.03844	2.0
217.07549	3.1
221.08580	1.1
223.06482	1.2
223.08299	0.8
223.10170	1.7
227.05916	1.4
227.09470	1.1
229.07500	0.8
231.05388	0.8
231.09061	3.6
237.04428	1.1
239.09668	4.1
241.11113	19.4
242.08241	2.1
243.09151	0.9
245.10692	1.5
251.09554	0.7
253.11105	2.2
255.09084	1.8
257.10596	4.1
259.12201	37.5
260.09424	2.0
264.12698	1.9
267.09009	1.6
269.10605	4.9
270.10995	0.8
271.12222	1.6
273.10052	0.8
279.09094	2.5
280.09845	2.9
282.13919	3.2
285.10135	1.2
287.11737	1.1
297.10141	3.3
298.10864	3.9
299.11813	0.9
307.15756	2.3
315.11298	0.9
315.16443	1.5
316.11893	3.2
325.16681	0.9
331.15710	6.5
333.17389	4.5
336.23849	0.8
349.16870	48.5
350.17462	1.5
351.18616	2.4
356.18982	0.9
367.17944	100.0
368.18237	1.9
372.18381	2.3
385.19009	8.4
390.19550	18.2
391.19955	0.9
658.91980	0.7
697.63507	0.8
717.42468	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	717.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01831	0.6
55.05476	0.3
57.03431	1.9
61.02868	0.6
69.03423	1.3
69.32342	1.0
69.32762	0.6
71.04987	10.8
71.05349	0.5
73.02872	0.4
75.04443	0.4
81.03365	0.7
83.04928	0.6
84.88749	0.2
85.02897	15.2
87.04420	0.3
95.02855	0.2
97.02885	1.5
99.04415	0.3
107.01280	0.5
107.04900	0.3
109.02805	0.5
111.04414	0.5
121.02829	0.4
123.04443	0.1
127.03908	1.2
129.05466	3.1
137.02330	6.0
137.03369	0.4
141.01801	0.3
145.04889	0.7
147.06519	1.0
149.02280	0.2
161.05922	0.2
163.03917	0.9
165.01840	1.9
170.09267	0.2
171.04379	0.4
183.02824	1.5
185.05913	0.5
187.03900	0.4
189.05449	2.1
199.03816	0.6
203.06978	0.2
213.05394	0.8
217.04909	1.3
219.02853	0.2
227.03362	0.4
231.06596	0.3
241.04944	0.9
245.04468	3.3
259.06021	1.0
269.04395	0.9
273.03714	0.2
287.05499	1.0
289.60550	0.2
303.04965	0.5
315.04941	64.9
316.05298	0.6
319.08517	0.2
407.07056	0.2
409.09143	100.0
410.09286	0.9
451.10245	0.3
475.10623	0.2
571.14587	0.2
717.46588	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	717.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
55.01871	0.6
55.05506	0.3
57.03431	2.0
59.04985	0.2
61.02918	0.5
68.99800	0.2
69.03420	0.9
70.06569	0.3
71.01353	0.1
71.04985	10.5
71.21047	0.2
71.29660	0.1
72.08126	0.1
73.02914	0.5
75.04476	0.5
79.05469	0.1
81.03409	0.7
83.01344	0.1
83.04960	0.5
84.08152	0.1
85.02896	15.1
86.09692	0.2
87.04467	0.4
91.03948	0.3
95.04950	0.2
97.02885	1.3
97.12969	0.1
99.04438	0.3
103.03973	0.1
107.04950	0.3
109.02852	0.4
111.04433	0.4
121.02847	0.2
123.00098	0.1
123.00911	0.2
123.04440	0.2
127.03893	0.8
129.05464	3.0
131.04953	0.1
133.02802	0.1
137.02319	3.9
137.03247	0.1
137.05905	0.1
139.03903	0.1
141.01814	2.3
141.02873	0.1
145.04887	0.7
147.04387	0.1
147.06494	0.8
149.02333	0.2
149.05962	0.1
151.03928	0.2
157.06491	0.1
161.06033	0.1
163.03885	1.0
165.01796	1.6
171.04378	0.2
173.05901	0.1
175.07524	0.1
177.01855	0.1
179.03261	0.1
183.02875	1.8
185.05968	0.3
187.03839	0.4
189.05467	0.1
191.03316	0.1
199.03960	0.1
203.07057	0.1
213.05450	0.7
217.04938	0.5
219.02820	0.1
227.03259	0.2
231.06522	0.2
241.04913	1.4
248.80336	0.1
259.06027	0.5
269.04395	0.3
287.05521	0.8
303.05115	0.2
315.04935	100.0
316.05203	0.9
327.04926	0.2
357.05936	0.2
409.09137	35.4
410.09448	0.3
571.14417	0.2
605.79028	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.3
55.01836	0.7
55.05484	0.3
57.03427	1.7
61.02873	0.6
68.99734	0.2
69.03423	1.4
70.06187	0.7
70.06593	1.2
71.01321	0.2
71.04987	9.7
72.08130	0.2
73.02877	0.4
73.20558	0.1
75.04436	0.5
75.04831	0.1
76.95447	0.1
79.05409	0.2
81.03413	1.0
83.04920	0.6
84.04443	0.2
84.08121	0.3
85.02896	14.8
85.10571	0.1
86.09635	0.4
87.04423	0.4
87.42065	0.2
91.03923	0.2
95.04920	0.3
97.02378	0.2
97.02882	1.5
99.04408	0.4
103.05428	0.2
107.01244	0.6
107.04953	1.1
108.64558	0.2
109.02837	0.5
110.07101	0.2
111.04382	0.5
115.05396	0.2
120.08067	0.3
121.02802	0.4
123.04329	0.2
127.03867	1.0
129.04630	0.2
129.05476	2.8
129.10216	0.3
131.04872	0.4
137.01363	0.3
137.02330	4.9
137.03354	0.3
137.05867	0.2
141.01825	0.2
145.04900	0.7
147.06476	0.5
149.02260	0.3
151.03867	0.3
152.75616	0.1
161.02283	0.2
161.05890	0.2
163.03960	0.8
165.01808	2.0
171.04382	0.4
177.01752	0.2
179.03297	0.2
183.02881	1.6
185.05922	0.3
187.03853	0.3
187.53212	0.1
189.05418	1.5
193.13965	0.2
195.04425	0.2
199.03896	0.4
205.04991	0.2
213.05440	1.0
217.04907	1.0
227.03419	0.4
231.06544	0.2
241.04953	0.9
245.04437	2.9
259.05984	0.9
269.04330	0.4
273.03906	0.4
287.05499	0.9
303.04865	0.4
315.04938	64.9
316.05267	0.8
327.04944	0.2
357.05838	0.2
409.09134	100.0
410.09479	1.1
449.10410	0.2
451.09790	0.2
483.35080	0.2
571.14014	0.4
649.74426	0.2
717.46869	0.5
749.15131	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.4
53.03943	1.2
55.01866	0.3
59.04969	0.3
59.08261	0.2
65.03940	0.4
67.05503	0.3
69.03397	0.2
73.02907	0.7
73.06557	1.5
77.03933	0.6
79.05053	0.4
79.05486	5.6
81.03394	0.3
81.07039	0.3
87.04463	6.3
89.06023	46.6
91.05468	8.5
91.07576	0.2
93.07026	2.4
95.04961	3.0
98.21526	0.5
103.05458	7.3
105.07018	100.0
106.07352	0.9
107.04950	1.5
107.07055	1.8
107.08562	0.3
115.05399	0.3
116.06229	0.5
117.06994	1.4
117.09113	0.7
119.04951	1.5
119.08563	4.2
119.09350	0.4
121.06493	18.1
128.06200	1.3
129.06995	3.0
130.08644	1.4
131.07066	2.4
131.08548	6.2
132.05666	0.8
133.06476	0.7
133.08588	32.2
133.10173	1.0
134.08858	0.3
135.07991	0.7
135.10081	0.3
145.06493	1.1
147.08029	32.4
148.08356	0.3
149.09610	7.2
149.13477	0.2
152.84222	0.2
163.07484	0.4
163.11188	0.4
165.07047	0.4
165.09094	2.0
166.07787	0.3
173.09592	0.8
175.09639	1.4
175.11075	0.4
177.11205	11.7
178.11612	0.3
179.08482	0.3
181.10117	1.3
184.07349	0.3
191.10661	0.5
193.12180	0.5
195.11833	0.2
208.08777	0.4
209.11665	1.0
219.12276	0.2
221.09581	0.2
221.13753	1.9
223.11171	2.6
223.15140	0.2
225.12717	17.5
226.13081	0.7
227.12668	0.3
236.11877	0.3
237.12669	0.2
239.14828	0.6
249.12721	3.0
251.12367	0.2
251.14313	2.6
253.14307	0.4
255.15877	0.4
265.16339	0.4
267.13672	0.5
269.15332	4.2
271.15353	0.5
277.16068	0.3
283.17514	0.4
295.16953	0.5
299.18411	0.3
306.47406	0.2
311.16397	0.7
313.17841	1.5
315.17941	0.3
327.17163	0.5
329.18628	0.3
359.20547	0.3
373.17365	0.4
373.21588	4.1
401.23117	0.3
403.23160	0.5
426.22543	0.2
447.25510	0.2
491.28128	1.2
551.31799	0.3
595.34869	2.3
699.40131	0.9
716.44031	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.2
51.02383	0.5
53.03933	0.9
60.25148	0.2
64.40295	0.1
65.03938	0.2
65.14478	0.1
69.64773	0.1
70.77554	0.1
71.51498	0.2
73.02905	0.2
73.06569	0.3
77.03931	0.5
78.57964	0.2
79.05484	5.5
87.04462	4.2
87.05013	0.2
89.06023	27.9
91.05466	2.9
91.07598	0.2
93.07025	1.4
95.04968	2.5
99.47027	0.1
103.05462	4.5
105.07020	100.0
106.07344	0.8
107.04990	0.3
107.07067	1.0
116.06199	0.2
117.06979	0.4
119.04922	0.6
119.08561	0.7
121.06493	8.9
129.06985	0.7
130.08629	0.7
131.07059	1.1
131.08554	4.0
133.08591	17.9
145.06528	0.3
147.08040	2.2
149.09604	0.7
163.07581	0.2
165.05753	0.2
165.06970	0.7
165.09093	2.5
166.07785	0.6
169.10066	0.4
173.09656	0.3
175.09634	0.7
175.11040	0.2
177.11208	5.9
191.10670	0.4
192.09361	0.2
193.12222	0.3
197.09579	0.3
207.11688	0.2
208.08763	0.2
209.11613	1.6
209.13307	0.5
211.13252	0.4
221.13817	0.9
223.11107	0.9
225.12726	5.5
225.14943	0.3
227.12799	0.3
235.13185	0.2
239.14803	0.3
249.12732	0.2
251.14278	4.2
253.13916	0.3
253.16132	0.4
265.19507	0.2
267.13577	0.2
269.15363	4.7
271.15335	0.7
279.15854	0.2
283.17398	0.2
295.16956	0.3
297.16895	0.2
313.17984	1.9
315.17993	1.2
327.17316	0.7
329.18976	2.5
359.20496	0.6
362.85770	0.2
366.40277	0.1
373.21634	1.8
403.23209	3.8
419.24042	0.4
434.99588	0.2
460.28400	0.2
463.26453	0.4
477.27695	0.5
507.29547	3.0
522.93109	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.9
53.03950	1.5
55.01865	5.9
55.05503	21.0
57.03435	9.2
57.07072	1.5
59.04994	5.7
61.02924	3.8
65.03930	2.4
67.05498	82.8
69.03422	7.5
69.07061	24.0
71.04983	5.5
71.11349	1.6
73.02895	1.8
79.05488	19.7
79.05950	0.9
81.03413	4.4
81.06572	1.7
81.07045	26.7
83.04984	3.2
83.08602	10.9
85.02904	3.0
85.06531	3.2
87.04478	1.2
89.06031	0.9
91.03934	0.7
91.05469	15.6
93.07030	16.8
93.35967	0.7
95.04971	7.9
95.08600	13.3
97.02886	6.6
97.06522	2.7
97.10159	9.6
103.05477	0.9
105.07013	12.3
107.04943	6.4
107.08580	8.5
109.02895	1.0
109.06506	2.6
109.10146	65.9
111.04427	0.9
111.08064	4.8
117.06992	5.1
119.04911	1.4
119.08571	15.4
121.06511	3.4
121.10142	3.4
123.08077	2.2
125.09608	7.4
129.06985	3.3
130.07811	1.1
131.08571	7.3
133.06491	2.8
133.10106	7.2
134.07277	1.3
135.08023	3.7
135.11710	1.6
137.09637	3.7
143.08554	3.1
145.06395	1.1
145.10138	4.0
147.08038	4.5
147.11674	3.2
149.09625	2.6
149.13226	1.2
151.11154	2.4
153.09067	1.2
155.10684	3.3
157.10152	2.1
159.11674	2.1
161.09633	2.6
163.11230	1.5
165.09093	1.8
171.10268	0.9
171.11626	1.0
173.11725	21.0
175.11168	1.6
185.13266	0.8
189.11273	3.7
195.11647	0.7
199.11179	1.1
205.12227	1.8
211.13234	1.4
213.85583	0.7
223.13261	12.2
225.64063	0.8
227.12746	5.0
229.14334	75.0
230.14893	1.1
245.18950	1.8
249.14732	3.8
253.14290	3.7
263.20001	1.0
273.18475	13.8
291.19504	92.5
292.19901	2.7
309.20755	1.0
347.21896	1.8
365.23184	42.0
366.23529	1.1
421.25800	1.5
439.26804	2.5
451.26941	1.0
501.31976	2.6
519.33130	100.0
520.33209	4.4
563.85095	0.8
592.50909	1.1
716.44543	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.3
53.03945	0.7
59.05008	0.2
65.82743	0.2
69.65913	0.4
69.66307	1.2
73.06557	0.5
76.32125	0.2
77.03947	0.5
79.05486	4.5
82.70991	0.2
82.80621	0.2
87.04462	4.3
89.06023	26.0
91.05470	2.7
93.07034	1.5
95.04969	2.3
98.20763	0.4
103.05462	4.6
105.07021	100.0
106.07356	0.7
107.04944	0.4
107.07064	1.1
108.00017	0.2
110.57219	0.2
116.06206	0.2
117.06995	0.3
117.09149	0.2
119.04928	0.7
119.08572	0.7
119.09343	0.2
121.06493	9.2
126.32731	0.1
128.06232	0.2
129.06985	0.9
130.08635	0.6
131.07079	1.0
131.08565	4.0
133.08591	17.0
145.06531	0.2
147.08029	2.4
149.09587	0.8
163.11072	0.2
165.06976	0.6
165.09096	3.0
166.07756	0.6
169.10158	0.2
173.09653	0.2
175.09637	0.6
177.11206	5.3
179.08473	0.4
179.12743	0.2
192.09392	0.3
193.10408	0.2
193.12119	0.4
209.11710	1.6
209.13344	0.3
211.13234	0.2
221.13809	0.5
223.11255	0.8
225.12726	5.7
227.12756	0.4
239.14838	0.2
249.12598	0.3
251.14287	4.6
253.15822	0.7
267.17456	0.2
269.15332	4.2
269.17896	0.1
271.15302	0.7
284.68460	0.2
295.16840	0.4
313.17926	1.7
315.17914	1.1
327.17361	0.5
329.18961	2.4
353.18613	0.2
357.20248	0.2
359.20792	1.0
373.21497	1.5
403.23215	4.0
419.23828	0.3
463.26724	0.4
477.27234	0.3
507.22525	0.2
507.29514	2.5
522.05182	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54710	0.6
55.01862	1.5
55.05507	2.1
55.93516	3.7
56.62320	0.7
56.94300	2.6
56.96545	1.0
57.03420	1.6
61.02921	0.9
65.03914	0.8
67.05200	0.8
67.05499	6.7
69.03401	2.0
69.07064	1.6
69.61580	5.2
70.06574	3.0
70.95867	7.5
71.08598	0.8
71.93011	0.9
72.08146	1.0
72.93388	1.2
72.93781	16.8
73.02885	0.7
79.05481	3.7
81.03394	3.5
81.07058	5.3
83.04955	0.8
83.08598	1.4
84.04484	0.8
84.08113	1.2
85.02890	2.1
86.06062	0.9
86.09721	1.0
87.04455	1.1
88.96907	4.2
90.94823	12.0
91.03941	0.9
91.05473	3.5
93.07012	2.1
93.25986	0.7
95.04965	2.4
95.08601	1.9
97.02894	1.5
97.64156	0.7
98.21431	1.3
99.08065	1.1
100.96893	0.8
102.34687	0.7
105.07016	3.2
106.97940	1.2
107.04937	5.0
107.08594	2.0
107.95059	0.8
108.95848	8.9
109.10131	1.7
111.08012	0.7
113.96403	1.9
116.96364	3.9
118.94224	0.8
119.08605	0.7
121.06480	1.0
122.97319	0.7
124.07528	0.8
126.98380	3.8
128.95494	0.9
128.96341	5.1
130.97905	2.4
131.08559	1.3
131.97417	1.1
132.95810	0.8
134.97375	4.0
135.07976	0.8
135.11711	0.7
136.95316	1.7
138.98381	3.3
142.97868	2.8
144.95833	2.6
144.99472	4.6
146.97366	5.7
148.98952	5.0
149.09604	0.8
150.96849	3.9
150.98424	1.1
151.02040	4.7
153.00029	1.2
154.97874	1.9
156.99457	3.0
158.62343	0.7
158.97385	3.1
159.01024	2.7
160.98932	2.3
161.02507	1.0
162.96910	4.4
163.00552	1.2
164.98608	0.9
164.99950	3.1
165.03622	4.4
166.97890	2.1
168.99437	1.7
170.97392	2.1
171.01028	1.5
172.99010	3.7
175.00502	1.8
175.01859	1.3
176.98431	3.1
178.97902	2.6
179.00124	0.8
179.01413	3.6
180.99463	1.3
181.03001	1.2
183.01045	1.5
184.98924	2.7
185.02605	1.7
186.01198	2.7
187.00531	3.9
188.98528	1.2
189.03571	3.3
190.99911	1.9
192.99458	3.1
193.03053	0.9
195.01123	1.1
196.98970	1.3
197.02618	0.9
198.04680	0.8
199.00459	3.1
199.02150	2.5
199.04150	1.5
200.98433	1.0
201.02071	1.4
201.03625	6.9
202.99895	1.1
203.05107	0.9
207.01018	1.6
209.02585	1.3
211.00505	1.3
211.04111	1.7
213.02011	2.2
215.03618	1.8
217.03244	1.3
221.06094	1.2
225.02002	2.4
227.03607	5.6
229.05196	19.9
233.02608	0.8
235.04259	0.7
237.02145	1.0
237.05716	2.8
239.03609	1.8
239.07314	1.8
241.05164	4.3
241.07364	1.0
243.03189	3.9
245.04700	40.6
247.06300	1.7
249.05650	1.2
252.06804	2.1
253.05093	1.7
255.06781	5.4
257.08325	7.4
259.06223	1.8
261.04230	0.9
263.05804	5.3
265.05255	3.6
267.06766	100.0
268.06317	3.6
271.06223	3.5
273.04218	1.8
273.10159	1.1
275.05774	3.0
280.09830	1.0
281.09744	1.0
283.06085	3.5
283.11276	1.7
285.07813	74.9
303.08862	1.7
308.09375	19.2
331.13629	1.9
347.13019	1.0
349.14560	28.0
350.14847	1.0
367.15656	39.0
368.15759	1.0
375.95776	0.8
380.43976	0.8
384.16983	1.7
385.16690	61.1
386.16989	1.5
390.17151	3.4
403.17606	1.3
408.18051	2.2
426.19113	5.4
469.20245	0.9
549.42822	0.7
715.34454	9.4
716.33978	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89106	0.3
56.96545	0.4
66.06190	0.4
66.80656	0.4
67.05492	0.4
70.06592	1.0
71.59666	0.8
79.05498	1.0
81.07045	0.6
83.01102	1.3
84.08169	0.6
86.09693	0.7
91.05499	0.5
93.07044	0.7
95.01118	0.5
95.08610	0.7
107.04964	2.1
107.08646	0.5
125.02146	0.6
141.05249	0.5
147.11777	0.5
155.01859	0.4
156.03903	0.5
157.04732	0.8
169.04816	0.5
173.03104	0.4
185.04222	2.4
201.03770	1.5
203.05296	2.4
214.14743	0.4
224.36832	0.4
257.06442	0.9
259.07953	2.7
275.07523	0.8
317.08578	0.8
317.19827	0.4
319.10086	2.1
331.09811	2.2
335.20538	0.6
347.09531	5.2
349.16721	2.3
359.13385	0.9
363.08932	2.7
365.10565	5.2
387.16824	0.7
391.24670	0.6
415.19333	0.7
421.12863	2.3
437.12958	0.4
455.22757	0.8
461.34286	0.5
483.22208	1.7
493.15421	4.9
507.16919	1.0
521.18652	0.9
535.20105	1.2
549.21960	0.5
553.29895	9.6
563.23163	0.8
577.24744	2.1
584.24597	0.6
603.26288	0.5
617.27283	0.6
645.27234	1.5
683.68085	0.5
715.35132	100.0
716.35278	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	715.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	0.3
61.64996	0.2
62.58154	0.2
67.05502	0.6
69.03421	0.4
69.07050	0.3
70.06578	0.2
70.52237	0.9
73.31101	0.3
79.05480	0.3
81.03404	0.5
81.07059	0.7
83.08607	0.3
83.67390	0.2
85.02877	0.4
91.05453	0.5
93.07037	0.5
94.25695	0.2
95.04990	0.2
95.08613	0.5
105.07013	0.4
107.04957	0.5
107.08606	0.3
109.10152	0.4
123.04227	0.3
127.03781	0.2
131.08554	0.3
133.10170	0.2
143.38342	0.2
157.04709	0.5
161.03064	0.3
167.57951	0.2
169.04800	0.3
173.03032	0.4
185.04204	2.7
201.03642	1.1
203.05333	0.8
232.88918	0.2
246.26382	0.2
259.08011	1.0
275.07462	1.0
287.07507	0.2
301.08984	1.0
305.07559	0.4
317.08524	0.7
317.19724	0.6
319.10104	0.6
331.09970	3.1
345.11606	0.8
347.09485	4.3
359.12985	0.6
363.08936	3.7
363.13120	0.3
373.14566	0.4
391.24603	1.0
401.17972	0.4
415.19455	0.8
421.13123	0.7
437.12677	2.1
441.21167	0.3
455.22559	0.7
459.23474	0.3
463.14188	0.6
483.21878	2.5
493.15311	5.0
507.16922	1.5
521.18494	1.1
535.19958	1.2
535.28326	0.6
549.21045	0.5
553.29846	13.3
563.23157	1.0
577.24542	1.7
603.25647	0.5
617.27985	0.9
645.26978	1.5
715.35052	100.0
716.35718	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	715.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76107	0.2
54.81123	0.3
57.03441	0.3
57.59664	0.2
61.02917	0.3
67.05507	0.5
69.42162	0.2
69.48879	1.8
79.05468	0.5
80.15891	0.2
81.07029	0.5
83.01093	0.7
83.08614	0.3
84.01916	0.3
87.03421	0.3
87.04472	0.3
89.06030	0.9
91.05467	0.4
93.07062	0.4
95.01066	0.5
95.04948	0.3
95.08591	0.3
97.02682	0.3
105.07037	1.4
107.04945	0.5
107.08604	0.4
109.06510	0.3
119.08626	0.3
123.04188	0.2
125.02123	0.3
127.03709	0.3
133.03458	0.6
133.08597	0.7
139.03625	0.3
156.03877	0.4
157.04726	0.6
169.04716	0.3
173.03021	0.6
185.04233	2.2
201.03697	1.8
203.05286	2.4
241.06895	0.3
257.06387	1.2
259.07925	2.4
260.31369	0.3
275.07620	0.5
299.18860	0.3
301.09015	0.5
317.08514	1.0
317.19867	0.8
319.09879	1.9
329.08414	0.8
331.09988	2.5
335.20654	0.4
347.09473	4.0
359.13318	0.5
363.09003	1.8
365.10550	3.9
373.14893	0.8
387.16791	0.4
391.24680	0.8
401.17877	0.9
415.19547	1.0
421.13129	2.7
437.12830	0.7
455.22714	1.0
483.22003	2.9
493.15286	4.2
507.16888	1.2
521.18597	1.0
535.20105	1.4
535.27716	0.5
549.21350	0.3
553.29791	12.9
563.23022	1.1
577.24615	1.8
617.27551	0.8
645.27350	1.2
715.35034	100.0
716.35242	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	0.4
55.05470	0.5
57.03432	1.4
61.02919	0.8
65.03893	0.2
67.05508	0.8
69.03423	1.6
69.07048	0.4
70.06571	0.7
71.04986	7.5
72.08096	0.2
73.02902	0.8
75.04418	0.5
76.14445	0.1
79.05433	0.6
81.03410	1.3
81.07048	0.8
83.04987	0.8
83.08588	0.3
84.08099	0.2
85.02896	12.0
86.03230	0.2
86.06026	0.3
86.09659	0.4
87.04415	0.7
88.40325	0.1
91.03899	0.5
91.05473	0.7
93.06992	0.7
95.04916	0.6
95.08562	0.3
97.02875	1.6
97.10072	0.1
99.04424	0.3
105.06976	0.6
105.07585	0.1
107.04297	0.2
107.04944	2.6
107.08527	0.3
109.02808	0.4
109.10117	0.3
110.21040	0.1
111.04388	0.6
115.05338	0.2
119.08516	0.4
120.08027	0.2
121.02853	7.1
121.06439	0.3
121.10069	0.4
122.03617	0.2
127.03884	0.9
128.98524	0.2
129.04616	0.2
129.05475	2.4
131.00146	0.1
131.08498	0.4
133.10071	0.2
135.04337	0.3
135.11656	0.2
137.05971	0.2
138.09186	0.1
141.06850	0.2
143.08534	0.2
145.04897	0.6
145.06435	0.2
147.04335	0.2
147.06470	0.5
147.11636	0.3
149.02325	0.8
149.09634	0.3
151.07538	0.2
152.07004	0.2
153.07007	0.3
157.10057	0.2
161.77138	0.1
163.03841	0.2
167.03381	0.4
169.06453	0.2
171.07990	0.4
179.03409	1.2
181.06433	0.4
184.05191	0.1
185.05807	0.2
193.12167	0.4
197.04407	0.7
197.05981	0.3
199.07564	0.8
204.06453	0.2
209.05995	0.2
211.07529	0.4
213.05432	0.3
214.06197	0.3
227.07051	0.8
229.04964	0.3
229.08536	0.2
229.82126	0.2
230.14990	0.1
241.04822	0.2
243.08698	0.2
245.04529	0.2
251.12495	0.4
252.15997	0.2
255.06490	0.8
257.08157	0.9
259.10797	0.2
269.04373	0.2
270.05148	0.6
271.05893	0.2
283.05966	6.8
285.07501	0.5
286.04764	0.5
298.04639	0.4
299.05307	0.4
301.07001	2.9
312.14792	0.2
313.07019	25.1
314.07388	0.2
344.88144	0.1
346.08200	0.2
357.07889	0.2
363.08728	0.2
373.06909	0.2
375.08591	1.6
380.11115	0.3
391.08075	1.7
392.08740	0.7
407.11206	100.0
408.11487	1.6
412.07034	0.2
413.06339	0.3
443.18976	0.6
449.27603	0.2
469.20203	1.1
473.12186	0.2
487.21533	0.6
488.14828	0.1
553.31842	0.2
671.32611	0.2
697.22253	0.2
697.33820	0.3
714.34235	0.6
715.34808	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	715.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03884	0.5
57.03395	0.6
61.02868	0.8
63.47820	0.4
67.05427	1.6
69.03368	0.9
69.07022	0.4
70.06519	2.5
71.59695	0.4
71.60080	0.4
72.08105	0.7
73.02866	0.5
76.80464	0.3
79.05416	1.0
81.03411	1.8
81.06976	1.3
83.04938	0.7
83.08526	0.5
84.04459	0.6
84.08100	0.8
85.02816	1.8
86.09704	1.9
86.10079	0.4
87.21879	0.4
91.03891	0.5
91.05394	1.7
93.06982	1.4
94.06562	10.6
95.04871	1.1
95.08562	0.8
95.92367	0.3
97.02821	1.0
105.07000	0.9
107.04951	3.5
107.08507	0.5
108.08032	1.3
109.10107	0.5
111.07994	0.4
120.08033	1.0
121.02800	1.1
121.10045	0.8
123.08051	0.4
124.07509	0.4
127.03796	0.5
129.06905	0.5
131.04877	0.5
131.08452	0.4
133.10054	0.6
136.07520	1.0
137.05879	0.8
158.26999	0.3
163.11127	0.4
166.08559	0.4
193.12071	0.7
211.08617	0.4
235.11865	0.4
243.08435	0.6
273.03183	0.7
281.03555	0.5
295.01663	0.8
297.03162	1.0
299.04752	1.3
309.03250	0.8
311.01233	0.6
311.04703	1.1
313.02756	0.8
313.06284	0.7
315.04236	0.9
317.05917	0.6
318.19318	0.5
323.00977	0.5
323.04742	0.8
325.02634	1.8
325.06180	0.7
327.00519	0.5
327.04184	1.0
337.02658	0.8
339.04227	2.3
341.02213	0.6
341.05899	0.7
343.03647	0.8
345.05331	4.2
346.06366	0.5
351.04272	1.4
353.01996	1.1
353.05942	0.8
357.05231	0.6
359.07050	1.3
363.06473	0.6
367.03787	3.6
369.05270	2.9
370.06128	0.5
371.02951	0.5
371.06992	1.6
372.07932	1.4
379.03793	0.8
381.05438	1.0
383.07141	0.5
384.08163	0.5
385.04761	3.0
385.08936	0.6
386.09802	0.5
390.09238	0.6
395.02646	0.4
397.04752	1.5
398.05444	0.6
399.06589	2.2
400.07614	0.9
406.06866	0.4
406.12564	0.5
409.04904	0.7
411.06351	1.1
412.07343	0.5
413.04034	0.8
414.04529	0.6
414.09061	1.1
416.10693	0.8
424.07434	0.7
425.08716	0.5
426.05206	1.4
427.05890	2.9
428.07010	1.4
429.07562	0.8
430.08310	0.7
432.10168	0.7
434.12079	0.5
439.06387	0.5
440.06876	1.1
441.07452	1.3
442.08524	1.4
443.18787	0.6
444.09814	1.3
445.06927	0.7
446.11563	0.9
448.08789	0.4
452.07275	0.4
452.18045	0.5
454.08795	0.7
457.07214	0.6
458.07895	0.7
459.08759	4.8
460.09665	1.6
462.10913	0.6
464.12592	1.3
469.20593	1.6
470.07474	0.8
472.09564	6.9
473.10352	0.5
474.10974	1.1
484.09818	0.5
486.11008	0.8
487.21634	0.7
490.10458	0.6
496.09552	1.1
498.11099	0.6
500.09100	3.7
501.09305	0.5
502.10568	4.6
504.11856	0.6
512.09052	2.4
514.10480	2.3
530.10162	2.7
532.11664	6.8
542.10291	0.9
544.11713	0.5
560.11139	100.0
561.11609	2.6
574.12439	1.0
592.13696	7.3
601.13953	0.4
665.17084	1.6
671.32477	0.6
697.34167	0.5
714.34753	0.4
715.35010	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.1
53.03942	1.2
55.01871	1.4
55.05475	0.1
55.81922	0.1
57.03437	1.0
59.14811	0.1
61.02919	0.8
65.03896	0.2
67.05465	0.2
68.05025	0.1
68.99780	1.0
69.03425	5.7
70.06252	0.1
70.06583	1.1
71.04985	0.8
71.59325	0.2
72.08125	0.2
73.02910	1.0
79.05470	0.3
81.03413	6.2
83.01279	0.1
84.04483	0.1
84.08112	0.2
85.02899	9.7
85.06495	0.1
86.09649	0.2
87.00827	4.1
87.04462	0.2
91.03897	0.4
93.03381	0.2
95.04958	0.7
97.02298	0.2
97.02885	3.7
98.97577	0.1
99.03849	0.1
99.04445	2.3
103.03880	0.1
105.01200	0.2
105.01858	2.7
107.04946	13.3
108.05280	2.3
109.02872	5.0
111.00806	0.9
113.06000	1.2
114.06281	0.2
115.03866	0.2
117.01827	0.7
117.05484	0.1
120.08033	0.1
121.02860	0.8
123.04382	0.2
127.03908	8.1
129.01863	0.5
129.10222	0.3
130.05003	0.1
135.04382	0.1
137.01378	0.2
137.02339	2.8
137.03381	0.2
145.03914	0.2
145.04961	3.0
145.06201	0.2
145.06453	0.2
147.02847	0.5
147.04332	0.2
149.02316	0.5
151.03911	0.1
153.01808	2.9
153.16631	0.1
155.04865	0.2
159.02873	2.9
159.48715	0.1
161.05901	0.2
163.03897	0.5
165.01831	1.9
166.02518	0.2
171.02936	0.2
173.05943	0.4
175.06018	0.7
177.05435	0.2
183.02893	0.9
183.04323	0.2
187.04047	0.2
189.03793	0.2
189.07584	0.1
195.02841	0.2
201.05486	1.7
205.05028	0.2
207.02960	0.2
213.05602	0.2
215.03008	0.1
217.42865	0.1
219.06494	0.3
228.04134	0.2
229.04932	3.5
229.10611	0.1
231.05025	1.5
233.04532	0.1
246.05266	0.2
247.06046	0.8
247.11743	0.4
248.12158	0.2
257.04428	2.7
274.04721	0.5
275.05569	0.3
285.03979	1.3
286.04587	0.2
303.04965	100.0
304.05270	0.9
327.04764	0.2
345.05911	0.5
348.10767	0.2
465.10281	15.8
466.10541	0.2
551.10327	0.4
595.98920	0.1
713.27405	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	8.0
56.05024	6.0
57.07059	2.6
60.04509	2.6
64.40201	1.3
67.05494	12.4
69.07079	8.5
70.06609	1.4
70.75595	3.6
71.08624	1.8
79.05504	9.5
80.05000	2.8
81.03423	1.5
81.07055	9.2
82.06578	7.8
83.08611	4.7
91.05478	9.7
93.07032	8.3
94.06564	21.7
95.04955	1.8
95.07336	6.4
95.08601	9.5
96.08140	7.4
97.10155	3.2
105.07029	6.0
107.08588	5.0
108.08130	3.1
109.10154	5.2
111.11713	1.4
119.08573	6.2
121.10120	6.0
122.09634	3.2
131.39082	1.5
133.10123	4.0
135.10526	1.3
135.11678	2.7
138.59781	1.4
149.13216	1.9
200.31911	1.4
230.53380	1.4
233.22627	2.5
245.22667	6.6
250.16684	1.3
250.25266	8.1
253.59431	1.6
262.25287	100.0
263.25613	2.2
272.25839	6.1
280.26398	6.6
304.26361	2.7
504.47519	4.3
516.47772	23.6
518.48920	3.5
534.48706	12.0
631.31561	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93576	0.3
71.57490	0.5
72.08123	0.4
107.04933	0.7
119.03567	0.5
136.06183	100.0
137.04663	0.3
137.06586	0.4
176.34723	0.3
268.10403	26.7
287.58966	0.3
358.81439	0.3
384.47168	0.4
428.79324	0.3
481.97943	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
53.41950	0.1
55.01866	1.4
57.03436	0.7
61.02921	0.8
61.98915	0.1
64.92961	0.1
68.99770	0.8
69.03424	4.6
69.03804	0.2
70.06570	0.5
71.04990	0.7
71.20409	0.3
73.02562	0.1
73.02908	1.0
81.03410	6.1
83.01310	0.3
85.02896	8.6
86.06044	0.3
86.09686	0.2
87.00821	3.7
91.03943	0.3
93.03394	0.2
95.04958	0.2
97.02275	0.2
97.02882	3.3
97.16677	0.1
99.04447	2.0
103.03935	0.1
105.01849	2.1
107.04929	0.4
109.02872	5.1
111.00775	0.7
113.86449	0.1
115.03960	0.1
117.01835	0.7
121.02872	0.6
121.03587	0.1
123.04399	0.1
127.03908	6.5
129.01816	0.7
135.04405	0.2
137.02313	2.5
137.05942	0.3
145.04953	2.4
147.02870	0.4
149.02348	0.4
153.01816	2.8
155.04907	0.2
159.02879	3.2
161.06006	0.3
163.03868	0.4
165.01834	1.6
171.02861	0.2
173.05986	0.3
177.03880	0.2
183.02875	0.8
183.04361	0.2
187.03920	0.2
195.02841	0.3
201.05472	1.2
205.05014	0.2
213.03850	0.2
219.06546	0.2
221.01503	0.1
229.04967	3.4
229.07283	0.2
231.05002	1.1
233.11508	0.2
247.06075	0.6
257.04382	2.6
271.11676	0.1
272.18018	0.1
274.04694	0.5
275.05481	0.2
285.03940	1.1
285.16803	0.2
303.04956	100.0
304.05261	1.1
315.05017	0.2
327.05023	0.3
345.05981	0.7
369.06396	0.1
411.07062	0.2
465.10266	10.4
510.88028	0.1
533.09271	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1558
Annotation	Quercetin 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
53.03941	1.3
55.01866	1.3
57.03428	0.6
61.02918	0.9
68.99780	0.9
69.03424	4.8
70.06590	0.8
70.23473	0.4
71.01341	0.1
71.04978	0.8
72.08122	0.2
73.02912	1.0
79.05477	0.2
81.03413	5.4
83.01327	0.3
84.04446	0.1
84.08095	0.2
85.02900	10.3
86.09658	0.1
87.00310	0.2
87.00823	3.8
87.04445	0.3
91.03914	0.2
93.03359	0.2
93.22207	0.1
95.04976	0.6
97.02291	0.2
97.02887	3.6
99.03843	0.1
99.04447	2.2
105.01178	0.2
105.01855	2.6
107.04947	9.0
108.05279	1.3
109.02867	5.1
111.00798	0.9
113.05988	0.7
115.03885	0.2
117.01833	0.7
120.08089	0.1
121.02840	0.8
123.04411	0.2
127.03909	7.6
129.01826	0.7
132.20729	0.1
137.01343	0.2
137.02333	2.8
145.03893	0.2
145.04953	2.7
145.06160	0.2
147.02844	0.5
149.02290	0.4
153.01816	3.2
155.81039	0.1
159.02885	2.8
161.05951	0.3
163.03848	0.5
165.00540	0.1
165.01840	2.2
166.02614	0.1
171.86778	0.1
173.06006	0.2
175.05917	0.4
183.02902	0.8
183.04340	0.2
187.03836	0.2
195.02898	0.3
201.05458	1.3
205.04863	0.1
213.03867	0.2
215.03362	0.2
219.06509	0.3
229.04942	3.3
231.04951	1.1
247.06010	0.8
247.11649	0.2
257.04434	2.7
274.04694	0.9
275.05359	0.2
285.03970	1.4
303.04968	100.0
304.05240	0.7
311.05222	0.2
315.04974	0.1
345.06042	0.5
405.09488	0.1
465.10281	16.7
489.79144	0.1
551.10229	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
55.01864	1.5
55.05470	0.4
57.03434	1.4
60.04475	0.2
61.02919	1.2
67.05457	0.4
68.99751	0.7
69.03423	5.1
70.06593	2.6
71.01295	0.2
71.04991	2.7
71.60677	0.4
72.08121	0.5
73.02905	1.3
74.06042	0.4
78.13398	0.2
79.05437	0.3
81.03409	6.0
83.04951	0.3
84.04469	0.6
84.08102	1.0
84.08576	0.2
85.02898	13.6
86.09680	1.1
87.00822	3.6
88.03925	0.3
88.28677	0.2
89.06007	0.3
91.03910	0.5
91.05470	1.1
91.34164	0.2
93.07006	0.3
94.06523	0.2
95.04929	0.6
97.02892	3.4
98.97531	0.3
99.04440	1.8
103.03891	0.3
105.01855	2.1
107.04414	0.2
107.04951	2.1
109.02871	5.8
110.07119	0.3
111.04408	0.4
115.03912	0.3
117.01795	0.5
120.08045	0.4
121.02869	1.9
123.04374	0.3
124.07549	0.2
125.02321	0.2
127.03908	7.6
129.01772	0.8
129.05457	0.4
129.10167	0.7
133.02814	0.4
136.07541	0.7
137.05937	0.5
137.07893	0.2
138.05496	0.2
139.03851	0.3
139.94122	0.2
144.08083	0.2
145.04947	2.4
147.02829	0.6
147.04320	0.4
151.03877	0.7
153.01843	1.6
159.02878	2.8
164.07007	0.3
167.03400	1.9
172.03967	0.2
173.12730	0.3
179.03383	0.6
197.04369	0.4
199.07422	0.4
213.03896	0.2
227.07025	0.7
229.04976	0.3
231.04907	1.5
245.04414	0.3
245.08160	0.5
246.05168	0.3
255.06448	0.4
257.04425	1.2
258.05215	3.7
263.92181	0.3
272.06805	0.4
273.04071	0.2
274.04648	1.0
283.05786	0.3
284.06558	0.3
285.03864	1.2
286.04678	3.9
301.07037	100.0
302.04178	3.2
302.07425	1.1
313.07108	0.4
317.06531	32.9
318.06870	0.4
321.10736	0.3
343.08148	0.7
359.07480	0.3
367.07996	0.3
427.10287	0.4
463.12057	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	0.6
55.05503	0.8
55.93521	4.1
56.94318	2.4
56.94542	0.7
57.03404	0.4
60.82959	0.5
66.50106	0.5
67.05497	2.1
69.07050	1.5
70.04770	1.4
70.05181	0.9
70.95866	5.1
71.92986	1.3
72.93784	11.7
73.94547	0.7
79.05495	2.7
81.03382	1.4
81.07052	4.3
83.04958	0.4
88.96886	2.6
89.94032	0.7
90.85567	0.5
90.94271	0.5
90.94820	9.9
91.05448	1.8
93.07014	1.0
95.04936	0.6
98.21433	0.4
102.94753	1.1
104.96352	0.4
105.07019	1.2
107.04908	0.5
107.08604	0.9
108.83793	0.4
108.95860	3.6
116.96361	2.3
118.94260	1.2
119.08577	0.6
125.96086	0.6
126.98402	1.5
128.96356	3.0
130.97906	2.1
131.98676	0.7
132.95802	1.2
134.97374	1.5
134.98869	0.7
136.95343	0.7
138.98413	2.4
140.96289	0.6
140.99857	0.4
142.97888	1.6
143.01585	0.5
144.95796	2.0
144.99474	3.4
145.10114	0.5
146.97411	3.8
148.98936	2.7
149.00432	0.5
150.96867	1.5
150.98392	0.6
151.02049	3.3
152.99944	1.1
154.97871	2.4
156.99463	2.0
158.97394	1.5
159.00999	1.2
160.98987	1.2
162.96902	2.5
163.02019	0.6
164.98584	0.8
164.99948	2.6
165.03574	3.3
165.97130	1.0
166.97861	2.0
167.01564	0.7
168.99434	1.8
170.97356	1.2
171.01056	1.3
172.99007	2.4
175.00496	1.4
175.02019	1.1
176.98402	1.3
178.97896	1.9
179.01515	1.0
180.99438	1.9
182.97311	1.0
183.01085	1.2
183.98212	1.0
184.98973	1.9
185.02615	0.9
186.01297	1.6
187.00505	2.5
188.98421	0.9
189.03621	2.2
190.99986	1.3
191.01555	0.7
192.99486	1.7
193.03174	0.8
193.06665	0.6
195.01097	0.6
196.98909	1.4
197.02554	0.9
199.00462	1.5
199.02083	2.3
200.98456	0.6
201.02007	1.1
201.03616	6.1
203.01556	0.5
203.05235	0.5
204.99475	0.5
205.01266	0.5
207.00978	1.3
207.04532	0.5
209.02669	1.2
211.00459	0.5
211.04163	1.1
213.02066	1.6
215.03568	0.8
217.01320	0.7
217.03157	1.2
219.04639	0.7
221.02579	0.6
221.06215	0.7
223.04193	0.9
225.02042	0.8
227.03589	2.4
229.05208	16.0
233.02560	0.5
235.04170	0.8
237.05759	2.3
239.03371	1.1
239.07375	1.0
241.05098	4.0
245.04739	3.6
247.04027	1.2
247.06375	1.2
249.05714	2.3
251.03502	0.5
253.05203	1.7
255.06598	4.1
257.08359	7.3
259.06335	2.0
265.05109	2.2
267.06772	100.0
268.07053	2.0
269.08173	0.6
271.06287	3.7
275.09348	0.6
277.05234	0.4
278.05933	0.7
279.08276	0.5
280.09985	0.7
281.09760	0.8
283.06168	3.3
285.07819	63.3
286.08139	1.8
293.12177	0.7
295.06497	1.0
296.07083	1.4
297.07620	1.0
308.09457	8.9
311.13031	1.2
313.07401	2.1
314.08157	1.0
315.08765	0.7
329.12088	1.3
345.11771	0.8
347.13034	19.8
364.14365	0.5
365.14066	25.0
366.14560	1.0
382.15424	2.4
383.15143	97.1
384.15442	3.8
388.15729	0.9
406.16534	0.9
420.93753	0.5
566.75159	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.1
57.07073	4.9
58.06603	3.3
59.04980	0.3
67.05494	1.1
67.36010	0.3
68.05019	0.7
69.03405	0.3
69.07065	1.0
69.65077	2.0
70.06590	20.2
71.08631	2.6
72.04482	0.3
72.08154	4.0
74.51533	0.3
79.05484	0.6
81.03430	0.4
81.07045	0.6
83.04980	0.3
83.08594	0.4
84.08141	4.7
85.10175	1.1
86.09204	0.5
86.09702	7.0
87.04475	0.8
88.07625	4.1
89.06026	8.0
91.05478	0.5
93.07043	0.5
95.08575	0.4
96.08128	0.3
97.10161	0.4
100.07638	0.5
102.09172	2.0
105.07032	1.4
107.07076	0.4
109.10152	0.4
114.09160	7.2
115.60690	0.3
118.58905	0.3
119.08537	0.4
121.06496	0.7
121.10093	0.3
131.08548	0.5
132.10207	1.5
133.08623	1.3
133.10104	0.4
146.11763	1.0
176.12816	0.5
179.06305	0.2
182.63803	0.3
184.07251	0.3
190.14462	0.4
220.15462	0.9
226.75656	0.3
234.17047	0.8
264.18079	0.9
278.19675	0.5
296.33160	2.8
322.22269	0.4
322.34644	4.7
324.36252	4.2
338.34329	0.3
340.35706	10.1
341.36206	0.3
384.38333	5.8
428.40866	3.6
472.43613	11.1
516.38885	0.3
516.46173	8.4
538.38409	0.6
560.48840	6.6
604.51630	0.9
648.54382	0.5
650.44550	0.4
664.99017	0.3
692.56903	1.4
710.57709	100.0
711.58112	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	710.5767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.8
57.07071	6.6
57.07331	0.4
57.71908	0.2
58.06594	7.0
67.05457	0.7
69.07066	2.2
69.29175	2.8
69.48212	0.2
70.06586	7.0
70.06953	0.2
71.08629	3.9
72.08147	1.5
73.02863	0.4
77.23991	0.2
77.88715	0.2
79.05454	0.7
81.07003	0.8
83.08611	1.7
84.08131	1.9
85.10184	2.0
86.09694	2.2
87.04450	0.5
88.07631	2.2
89.06026	3.0
91.05451	0.7
93.06994	0.6
95.08530	0.2
97.10101	0.9
102.09125	1.0
105.07011	1.8
109.63905	0.2
114.09156	2.2
132.10165	0.6
133.08495	0.3
146.11729	0.5
146.22263	0.3
175.14592	0.3
184.07338	0.6
185.27802	0.3
227.12418	0.3
243.09024	0.3
248.37682	0.3
264.18073	0.3
281.14612	0.3
296.33090	47.2
297.33307	0.6
300.58670	0.3
322.34805	1.3
324.36285	0.9
340.35681	5.3
384.38306	2.9
428.40878	2.1
472.43607	3.3
516.46362	1.8
560.48920	1.6
604.51398	0.5
629.92078	0.3
692.56647	0.7
710.57690	100.0
711.57806	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	710.5767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.4
55.05518	1.3
56.05038	0.7
57.07074	6.5
58.06602	2.7
59.04989	0.3
67.05502	1.3
68.05019	0.7
69.03445	0.3
69.07069	1.7
70.06586	24.4
71.04971	0.4
71.08625	2.8
71.59143	0.5
72.08149	3.5
73.02913	0.6
79.05477	0.8
81.07054	1.1
83.04986	0.3
83.08629	0.8
84.08138	4.0
85.10173	1.4
86.06062	0.3
86.09698	6.5
87.04456	1.1
88.07624	10.7
89.06029	6.1
91.05473	1.5
93.07041	2.0
95.04957	0.9
95.08633	0.7
97.10160	0.4
100.07615	0.5
102.09174	7.2
103.05450	0.6
105.07027	3.2
106.07346	0.3
109.10170	0.3
114.09157	3.8
119.08585	0.6
121.06509	3.3
121.10125	0.3
125.00024	0.5
131.08569	0.3
132.10187	3.5
133.08582	2.4
133.10152	0.6
135.08072	0.4
135.11678	0.3
142.83125	0.3
145.10164	0.4
146.11746	3.9
147.11720	0.4
149.09599	0.4
160.95232	0.3
163.11226	0.3
165.09146	1.2
176.12828	1.2
177.11189	0.5
184.07281	3.2
190.14439	1.2
197.40018	0.3
255.16307	0.4
293.21002	0.4
296.33102	2.6
322.34683	3.3
324.36234	2.5
328.94016	0.3
333.29340	0.3
340.35718	27.0
341.36264	0.5
384.38333	18.1
385.38821	0.5
385.95291	0.3
428.40970	7.9
472.43829	0.8
513.36267	0.3
560.49182	0.4
604.51428	2.4
648.54089	2.9
692.56812	3.7
710.57715	100.0
711.57886	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	710.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.7
55.01867	5.6
55.05506	14.8
56.96574	5.1
57.03430	7.9
59.39210	2.3
61.02929	18.5
65.03912	3.3
67.05497	37.8
68.17924	2.2
69.03414	5.9
69.07069	14.6
70.06589	4.8
71.01318	2.8
71.04988	6.3
71.60277	3.7
72.08480	2.4
73.02910	9.6
76.46643	2.3
79.05488	49.4
79.51579	2.5
79.72862	2.3
81.03407	14.6
81.07053	40.6
83.04970	5.0
83.08611	7.4
85.02903	21.7
85.06560	5.0
85.80798	2.4
86.09698	4.9
90.36892	2.6
91.03958	17.8
91.05470	38.9
93.07038	52.6
95.04983	9.6
95.08600	24.1
97.02884	10.6
97.06535	5.9
105.07021	38.5
107.04942	14.4
107.08583	34.0
109.06526	4.8
109.10155	12.5
111.08091	3.5
111.88580	2.5
117.07035	8.4
119.08579	28.4
121.06483	5.3
121.10171	20.6
123.11731	6.6
127.03899	8.0
129.07036	3.5
130.76962	2.7
131.08577	16.0
133.10139	25.9
135.08139	3.3
135.11685	18.5
137.09584	3.2
143.08536	7.5
145.04994	6.5
145.10080	15.5
147.11687	25.3
149.01192	3.3
149.09598	4.3
149.13286	15.5
157.10143	7.9
157.86519	2.8
159.11693	13.0
161.09595	2.9
161.13213	14.7
163.06052	8.3
163.11215	4.9
163.14789	3.9
171.11662	8.7
173.13277	6.2
175.11316	2.8
175.14833	5.5
177.00652	2.7
185.13257	7.9
197.13281	3.9
199.14864	4.1
211.13138	3.4
229.14290	3.6
241.19476	19.1
259.20566	44.3
267.15869	4.2
269.17389	5.1
277.21625	5.6
284.12793	2.7
285.16916	3.9
293.20886	3.1
329.11951	3.9
333.24307	11.3
351.25293	100.0
355.16068	3.7
357.15515	4.7
363.25452	3.4
364.16229	5.3
370.43420	2.8
441.26483	7.1
459.27423	5.4
477.28336	8.2
495.29489	11.5
513.30090	3.4
513.49982	2.8
573.23987	6.9
709.82843	11.4
710.32483	5.9
711.34949	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	710.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.0
55.01866	4.3
55.05512	16.0
57.03424	9.9
57.07063	3.7
61.02925	20.8
61.16700	2.0
67.05503	41.5
69.03426	7.3
69.07074	11.6
70.02132	9.8
70.06577	4.3
71.04978	6.5
73.02915	9.5
79.05492	35.6
81.03422	10.5
81.07055	35.5
83.04970	4.7
83.08603	7.8
85.02909	24.5
85.06550	4.3
87.04465	2.4
91.03936	18.8
91.05473	40.7
93.07042	47.5
95.04956	9.2
95.08609	23.2
97.02915	13.6
97.06512	6.2
97.10165	5.2
98.21449	2.7
105.07026	36.6
107.04951	11.2
107.08587	29.1
108.84821	1.9
109.06503	4.8
109.10145	14.9
111.08100	3.9
115.03926	2.1
116.98635	3.0
117.07007	13.4
119.08586	32.4
121.06500	6.7
121.10129	21.3
123.08103	2.5
123.11712	2.8
125.09606	3.3
127.03913	6.1
129.06982	6.6
131.08560	14.9
133.10133	29.3
135.11711	17.8
137.09659	2.7
142.18164	2.1
143.08559	7.7
145.04939	6.1
145.10144	13.5
147.11679	25.6
149.09590	2.7
149.13254	11.2
150.07698	2.3
155.08583	2.4
157.10213	10.1
159.11726	13.6
161.13249	19.4
163.06010	10.8
163.11156	4.7
163.14825	2.8
171.11696	8.7
173.11813	2.9
173.13226	6.5
175.11171	2.6
175.14824	9.1
184.07262	2.9
185.13222	6.3
199.14806	6.5
203.14333	2.1
211.13339	2.2
213.84358	1.8
221.37224	1.9
229.14317	5.5
231.21074	3.1
241.19519	14.5
259.20560	52.6
259.23282	2.7
267.16028	3.7
269.17444	6.7
277.21655	5.0
281.91745	2.3
285.16791	3.0
301.16534	2.7
351.25314	100.0
375.25104	2.2
423.26993	2.6
441.26535	3.2
453.64221	2.0
459.27621	2.7
467.08969	2.1
477.28760	5.2
495.29486	9.5
513.29974	3.0
577.60260	2.3
710.33264	9.9
710.45032	2.7
711.32147	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	709.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70563	0.3
55.05499	0.5
56.05030	0.4
56.80245	0.4
57.02782	0.4
64.16364	0.3
65.03911	0.5
67.05499	0.8
70.06592	5.4
71.04986	0.5
71.60091	0.6
72.08144	1.0
79.05489	0.9
81.03407	1.1
83.07682	0.3
84.04514	0.5
84.08128	1.8
85.02905	1.0
86.06055	0.4
86.09712	2.3
87.04446	0.4
91.05479	0.9
93.07043	1.1
94.06554	1.8
95.04980	0.7
95.07343	1.2
95.08616	1.1
96.08134	1.7
96.15657	0.3
97.02908	0.7
97.06511	0.8
105.07025	0.4
106.06557	0.6
107.04948	3.4
107.08577	0.4
108.08122	1.8
110.07186	0.8
110.09676	3.8
112.07562	0.3
120.04475	1.4
120.08102	3.2
121.02859	6.7
121.10193	0.4
122.05998	1.0
122.09695	0.4
124.07597	1.6
129.10233	1.1
135.11728	0.4
136.07570	3.5
137.05966	1.8
138.09131	6.2
146.05988	1.3
148.07567	1.4
150.09164	0.5
152.07037	1.0
152.10788	0.3
162.09145	0.4
163.03885	0.5
164.07065	0.9
166.08641	7.1
168.10300	0.4
172.03938	1.7
174.05516	0.4
175.07516	0.7
182.11803	0.5
185.10591	0.4
190.04993	0.5
192.10236	0.5
194.08203	0.7
196.09740	0.6
197.10753	0.8
204.06534	2.9
207.06769	0.4
211.12152	0.4
213.10327	0.5
223.08812	0.4
223.12346	0.7
225.10185	1.8
226.10780	0.4
227.11816	0.8
235.08672	0.4
236.09412	0.6
237.10223	2.9
238.11311	0.5
239.08167	0.9
239.11809	1.5
241.09641	0.7
243.11151	0.3
248.09384	0.6
249.10245	2.1
250.10960	0.9
251.08159	0.9
251.11882	2.6
252.09023	0.5
252.12532	0.8
253.09776	1.8
253.13364	0.7
255.07831	0.4
255.11301	0.8
261.10272	1.2
263.07980	0.4
263.11850	1.4
265.09634	4.6
265.13873	0.4
266.10574	1.0
266.14862	0.4
267.11340	2.5
267.14124	0.3
267.15292	0.4
269.12936	0.8
271.10916	1.2
271.14398	0.3
277.09677	1.0
278.07443	0.4
278.10452	2.0
279.07709	1.8
279.11288	3.6
280.11951	1.4
281.09201	1.4
281.12811	1.3
283.10760	2.5
285.12274	1.0
286.13083	0.4
287.13846	2.3
289.09741	1.6
291.11209	0.7
293.09320	1.1
293.12888	2.0
294.09882	2.0
295.10806	1.5
296.11621	1.0
297.09192	0.4
297.12378	1.4
298.09793	0.4
299.10376	1.3
299.13837	0.8
303.13467	0.6
306.10056	0.6
307.10703	0.7
308.11533	1.0
309.08905	0.5
309.12146	1.8
311.10278	3.8
311.13489	0.9
312.11090	1.0
313.11789	1.9
314.12628	1.5
315.13608	0.6
321.08630	0.4
321.12378	0.7
323.10205	1.0
323.13846	1.0
324.11014	1.3
325.11908	1.6
326.12604	2.5
327.13455	4.2
335.10205	3.5
339.13373	24.3
340.10486	1.1
340.14191	0.7
343.12897	0.5
352.10648	0.5
353.11401	0.7
354.11929	1.9
355.12842	7.1
357.14539	0.4
367.12836	11.7
371.12280	1.0
371.16190	0.6
372.13031	0.5
383.12350	0.7
386.14627	1.2
387.15640	0.9
399.15466	3.2
428.16272	0.5
447.18335	0.5
451.21191	0.5
460.18558	1.1
479.20581	1.8
488.18115	1.2
492.21057	2.0
502.19403	0.6
520.20844	7.4
536.20020	0.5
552.23376	100.0
553.23486	3.4
582.02515	0.4
588.78448	0.4
627.24579	0.9
659.26166	0.6
691.35895	0.4
709.25659	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.4
55.01860	8.4
55.05506	33.1
57.03428	21.3
57.07066	5.1
59.04989	4.3
61.02919	9.7
67.05501	100.0
69.03416	11.1
69.07059	21.4
69.31943	34.5
70.06577	12.7
71.04978	13.8
73.02919	7.1
79.05484	50.3
81.03406	68.0
81.07050	76.1
81.30906	3.0
83.04953	27.3
83.08622	32.3
84.08129	3.4
85.02903	34.3
85.06533	10.4
86.09705	5.9
87.04460	7.2
91.03944	7.5
91.05471	70.8
91.06006	5.6
93.07035	45.1
95.04962	31.5
95.06136	5.2
95.08603	27.7
97.02876	14.7
97.06500	8.0
97.10163	13.0
99.04440	5.4
99.08089	4.6
103.05444	4.0
105.07026	34.2
107.04954	23.9
107.08549	24.0
109.06517	9.2
109.10140	51.0
111.04479	4.4
111.08094	15.7
113.06010	4.6
116.01678	3.0
117.07021	10.5
119.08573	35.8
121.06495	11.3
121.10107	20.0
123.08066	4.3
123.11720	6.1
125.09623	12.4
129.05511	3.6
129.07008	10.4
131.07069	4.2
131.08572	23.2
133.06491	6.8
133.10120	27.6
135.06476	3.2
135.08022	7.8
135.11627	18.6
137.09628	5.3
139.52568	3.4
140.98439	3.2
143.08528	4.4
145.10086	16.3
147.08018	3.8
147.11667	27.3
149.09592	8.0
153.12679	3.7
157.10123	12.4
159.11694	4.6
161.13318	5.0
163.11105	15.8
165.09135	4.5
165.12779	5.3
170.09953	6.0
173.11716	12.0
175.11191	13.6
185.11740	4.4
189.12968	3.1
193.12209	46.9
209.11743	5.9
211.13255	57.6
219.17413	55.1
229.14304	50.0
255.15910	7.2
267.15884	44.5
275.20065	12.6
285.16977	41.6
301.16333	7.8
349.23740	85.0
400.60703	3.8
421.25626	16.4
435.27414	7.7
439.26904	31.2
453.28372	7.4
455.25674	12.4
461.28922	11.3
475.26501	4.1
479.30212	7.3
493.27600	4.6
511.28540	49.3
529.30115	9.8
708.42230	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	709.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03996	0.9
68.34444	0.7
70.06579	3.3
70.58208	0.8
70.70319	2.4
71.64352	0.7
72.08145	1.3
79.05512	1.0
82.45720	0.7
84.08140	1.2
86.09700	2.0
89.95550	0.8
91.05487	1.2
93.07036	2.2
94.06538	2.6
95.07336	1.2
96.08107	4.5
96.08663	1.0
107.04955	2.7
108.04500	0.9
108.08111	5.4
108.08747	0.9
110.09686	6.4
120.04478	3.4
120.08081	4.4
122.06013	1.1
124.07607	2.0
136.07568	4.4
138.09125	9.5
146.05998	1.1
148.07596	1.5
150.09157	1.4
152.07040	1.5
162.05562	0.9
164.07072	1.3
166.08626	10.0
172.03914	1.9
184.07549	0.9
190.05022	2.4
197.10556	0.8
204.06584	4.0
209.10793	1.3
211.12500	1.0
213.10123	1.1
224.09436	1.0
225.10124	3.7
227.11784	1.0
235.08704	1.6
236.09494	2.2
237.10287	4.2
238.11014	1.6
239.08290	1.2
239.11732	2.7
241.09822	1.1
243.11363	1.7
248.09239	1.3
249.10294	4.1
250.11008	1.5
251.08153	2.7
251.11702	4.5
252.12636	1.6
253.09575	3.7
254.10536	1.1
255.11263	1.5
261.10223	2.6
263.11819	3.4
265.09738	7.0
266.10367	2.1
267.11310	5.2
268.11954	1.1
269.09048	1.4
269.12595	0.9
271.10730	1.9
277.09604	2.2
278.10544	3.3
279.07700	4.3
279.11285	9.5
280.11975	1.9
281.09201	2.1
281.12698	1.9
282.09943	0.9
283.10690	5.9
285.12347	3.4
287.13855	1.3
289.09607	5.3
291.11301	1.8
293.09180	2.8
293.12872	4.0
294.09985	4.3
294.13022	0.9
295.10709	3.3
296.11673	1.8
297.12347	2.4
299.05185	1.2
299.10184	2.2
303.13452	2.9
306.09763	2.7
307.10730	2.9
308.11880	1.0
309.12372	2.6
311.10208	5.4
311.13635	1.9
312.11026	2.8
313.11774	1.7
314.12631	1.0
317.09045	1.0
323.10175	2.4
323.13898	1.3
324.11053	2.6
325.11673	4.7
326.12662	4.1
327.13461	8.5
335.10236	8.6
339.13361	48.6
340.10397	2.0
340.13971	1.2
352.10495	1.8
354.11978	5.8
355.08774	1.4
355.12900	14.1
357.14337	1.9
358.15509	1.3
367.12881	31.3
386.14905	1.9
415.15219	3.3
418.17450	1.3
432.14944	1.5
462.16235	2.0
464.21976	1.0
474.16312	3.9
479.20383	3.2
488.18277	7.9
492.21353	3.7
520.20776	100.0
521.21216	2.4
538.21875	4.3
552.23370	48.0
553.23846	1.8
609.23346	1.1
627.24329	15.1
659.26727	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
55.01863	1.5
55.05505	1.8
56.96548	0.4
57.03441	1.8
57.07077	1.1
61.02911	1.6
65.03939	0.4
67.05497	3.5
69.03422	5.7
69.07058	1.9
70.04070	100.0
70.06587	1.8
71.04979	1.3
71.59966	0.7
72.14459	0.4
73.02912	1.0
75.85564	0.4
76.92239	0.3
79.05479	2.9
80.43110	0.3
81.03409	8.9
81.07036	2.5
81.59759	0.4
83.01324	0.4
83.04991	1.0
83.08592	2.3
85.02898	13.5
86.09699	0.9
86.78532	0.3
87.00815	3.9
89.06029	0.5
91.03947	1.0
91.05482	2.6
92.46432	0.4
93.07049	2.2
95.04964	1.9
95.06095	0.7
95.08615	1.6
97.02876	7.4
97.06535	0.7
97.10186	0.6
99.04452	2.9
99.08076	5.4
105.01859	4.9
105.07037	1.4
107.04955	2.8
107.08587	1.5
109.02869	7.9
109.06535	0.7
109.10156	1.1
111.08080	0.5
115.03942	0.4
117.07016	0.8
117.09135	0.7
119.08578	1.2
119.26768	0.4
120.08144	0.5
121.06524	1.2
121.10172	1.1
125.02350	0.5
125.09666	0.5
127.03903	10.0
129.01807	0.6
129.06985	0.5
131.08562	1.4
133.06477	0.7
133.10132	1.3
135.11702	1.1
137.09689	0.5
145.04941	3.1
145.10138	1.2
147.11664	0.9
149.09668	0.7
157.10091	0.8
159.02905	1.8
161.09703	0.4
163.11188	1.1
172.03920	2.7
173.09535	0.5
175.11179	0.4
183.10155	5.6
193.12285	1.4
195.10147	31.2
204.06529	4.5
213.04012	0.9
225.11195	15.9
227.08374	1.9
227.12727	0.8
231.04991	2.4
243.12288	2.2
249.06088	0.9
261.13278	0.8
267.15884	3.1
274.58282	0.4
279.42322	0.4
283.15433	1.2
285.16956	0.5
296.11548	2.2
299.14905	0.9
301.16580	0.6
311.11401	0.4
329.12357	1.5
366.16873	1.0
385.23505	0.9
393.09756	0.4
459.27536	2.8
473.25336	0.5
477.28448	1.3
491.26498	1.7
509.27301	2.4
553.90503	0.4
706.34796	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01869	1.1
55.05508	2.7
57.03436	2.0
57.07062	0.8
59.04982	0.3
61.02922	4.2
65.03951	0.3
67.05499	9.4
69.03417	2.4
69.07069	2.1
69.75317	2.3
71.01354	0.4
71.04991	1.1
73.02910	3.4
79.05480	5.2
81.03407	2.5
81.07051	5.3
83.04973	1.0
83.08617	1.6
85.02894	5.0
85.03366	0.6
85.06562	0.4
87.04482	0.7
89.06010	2.1
91.03960	3.3
91.05475	6.0
93.07030	5.2
95.04964	1.9
95.08591	3.2
97.02884	3.9
97.06512	0.5
97.10166	0.6
98.21449	0.7
99.04440	1.0
101.02362	1.7
103.05482	0.6
105.07018	14.4
106.07388	1.8
107.04996	0.9
107.08566	2.7
109.02847	0.6
109.06509	0.8
109.10139	6.6
111.08096	0.4
117.07016	1.1
119.08565	3.2
121.06461	0.6
121.10126	2.0
123.11670	0.5
127.03918	1.7
129.05537	0.5
129.07013	0.8
131.08548	1.9
133.08597	1.1
133.10104	2.0
135.08055	0.8
135.11707	1.4
141.06903	0.4
143.08551	0.8
145.06461	0.4
145.10147	1.0
147.11656	1.7
154.46774	0.4
155.08560	0.4
159.11694	0.9
161.13239	0.9
163.11198	0.5
173.11797	1.8
173.13136	0.6
177.11214	0.4
185.04245	1.1
187.70886	0.4
193.12314	0.3
195.10007	1.1
199.15030	0.3
201.03786	0.6
221.11446	0.3
229.14427	0.9
243.08383	2.3
259.20605	0.6
273.18314	0.5
277.21771	0.4
284.23190	0.4
291.19455	0.8
301.08997	1.4
313.09085	0.5
335.25653	0.5
355.15784	0.5
383.17365	0.4
408.25848	0.3
413.17776	7.4
429.18790	0.5
485.19983	1.0
513.23297	0.5
527.24554	0.4
535.28821	6.9
545.37830	1.2
609.32190	0.5
689.40344	0.5
707.39697	100.0
708.40375	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	705.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.0
55.01863	6.0
55.05509	27.0
57.03423	4.9
58.65818	3.9
60.99957	3.6
65.03916	8.4
67.05502	96.9
69.03423	29.9
69.07054	26.1
71.04988	69.5
76.09679	4.5
79.05486	79.8
80.32533	3.1
81.03416	54.9
81.07050	100.0
83.04962	13.2
83.08618	11.8
85.02909	10.1
85.06527	5.9
91.05475	71.9
93.07035	71.1
95.04959	14.8
95.08595	36.2
97.02885	16.3
97.06528	8.7
99.04419	8.8
105.07028	46.4
107.04972	6.2
107.08585	41.0
109.02876	7.3
109.06503	6.2
109.10149	15.6
111.04484	4.7
117.07021	17.1
119.08601	19.7
121.06499	4.6
121.10111	24.9
123.11704	14.5
127.03922	10.0
129.06987	7.8
131.08551	17.9
133.10120	32.2
135.11681	15.2
137.06082	4.9
143.08626	6.0
145.10112	8.4
147.11690	10.2
149.13243	13.5
151.11145	10.6
157.10101	5.4
159.11710	21.8
173.04446	14.2
177.12849	7.2
183.11723	5.6
183.13824	6.4
184.07314	5.7
187.13278	16.0
195.13823	7.4
201.14891	6.7
257.17319	4.5
259.20477	4.9
261.22079	5.8
291.88196	4.0
339.17990	12.2
395.20660	5.1
427.23068	4.9
443.27872	4.8
517.38586	10.8
593.44592	5.6
673.43018	5.4
704.85834	7.2
705.45349	61.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01868	1.0
55.05502	1.7
55.55636	0.6
57.07071	19.1
59.04999	1.3
67.05479	1.6
69.03426	1.1
69.07052	2.5
69.79217	3.7
71.04974	0.6
71.08627	34.8
73.02891	2.0
73.06552	3.0
79.04111	0.6
79.05492	2.4
79.27139	0.6
81.03401	1.3
81.07060	2.0
85.10176	18.6
86.29665	0.6
87.03916	1.0
87.04460	29.4
89.06025	100.0
91.05478	12.7
91.07590	0.9
93.07039	6.5
95.04964	3.2
95.08589	1.7
97.02908	0.6
103.05470	1.2
105.07034	6.1
107.04971	4.0
107.07070	3.6
107.08596	3.5
109.06562	1.0
112.17627	0.6
115.07593	0.7
117.07008	2.1
117.09119	1.4
119.04898	3.1
119.08568	4.5
121.06493	19.3
121.10157	2.2
123.08087	1.2
127.14828	1.6
129.07054	0.7
130.08646	1.8
131.07036	8.7
131.08560	1.0
133.08592	57.6
135.08038	7.1
135.11650	1.7
143.08600	0.8
147.08051	9.0
149.09619	8.3
149.65851	0.7
150.06750	2.9
158.76303	0.7
163.07382	0.8
163.11165	4.4
165.09109	6.8
167.10674	2.1
173.09645	1.2
175.09679	3.4
175.11105	1.2
177.11212	12.9
177.12656	1.0
191.10684	3.5
193.12311	2.2
207.13907	0.9
209.11763	2.2
211.13365	2.0
221.13756	1.5
235.13332	1.4
245.19012	0.8
247.20570	15.8
255.15985	0.9
261.22134	0.7
273.22113	2.6
289.25238	1.5
291.23163	26.6
299.18423	0.7
303.02356	0.7
317.24826	1.6
335.25781	1.8
525.36090	0.7
543.36981	0.9
616.51129	0.7
670.06122	0.8
687.40747	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.9
53.03935	6.3
55.01867	13.2
55.05508	29.3
57.03437	12.4
57.07050	2.7
61.02906	6.4
65.03925	5.8
65.14745	1.4
67.05501	69.3
68.05805	1.8
68.67609	1.7
69.03424	21.6
69.07061	26.6
69.62765	10.8
71.04984	8.7
73.02924	9.2
73.06511	2.9
74.29810	1.3
79.05489	61.9
80.86169	1.6
81.03416	43.5
81.07051	77.4
83.04985	16.9
83.08616	16.4
85.02906	10.0
85.06537	3.3
86.09695	2.3
87.04459	9.0
89.06023	24.5
91.03926	5.7
91.05476	55.0
93.07038	52.3
95.04971	22.2
95.08042	2.8
95.08602	36.4
97.02882	19.2
97.06523	17.5
97.10143	9.9
99.04427	8.7
101.02330	2.1
103.05460	5.6
105.04536	3.2
105.07026	100.0
106.07368	2.2
107.04966	17.0
107.07043	2.5
107.08589	34.5
109.02877	10.5
109.06526	8.8
109.10151	19.8
111.04430	8.0
111.08057	7.0
113.05969	2.0
115.05441	4.3
117.07015	22.2
119.04884	1.9
119.08580	32.8
121.06516	7.7
121.10138	21.2
123.04384	2.9
123.08074	6.8
123.11700	5.8
125.09619	8.0
127.03914	7.7
128.06161	3.3
129.05464	4.8
129.06993	12.5
130.07764	2.1
131.07047	2.5
131.08559	31.6
133.06487	4.5
133.08598	10.9
133.10124	23.3
135.04369	2.1
135.08046	9.0
135.11682	12.4
137.05972	4.6
137.09598	6.0
141.06975	4.3
142.07762	2.6
143.08554	13.7
145.06450	3.8
145.10117	19.5
147.08031	5.1
147.11676	20.0
149.09601	12.8
149.13231	9.3
151.11156	2.6
153.09036	1.9
155.08542	5.6
157.10121	11.2
159.08083	5.2
159.11681	17.2
161.09607	3.0
161.13240	7.1
163.07539	8.7
163.11227	9.2
163.14700	2.1
165.12749	3.8
167.08514	3.4
169.10103	7.3
171.11642	8.5
173.04440	7.9
173.09613	2.9
173.13274	8.1
175.11125	4.1
177.11215	6.7
177.12724	4.2
181.08527	2.2
181.10080	4.6
183.11734	8.1
184.07307	4.7
185.13243	6.0
187.11156	3.7
187.14728	2.0
189.11195	4.5
193.12123	1.8
195.08037	1.8
195.11731	3.4
195.13821	5.6
197.13246	4.0
199.14751	3.0
201.12801	2.6
203.14331	2.0
207.11743	2.0
209.13300	3.7
213.12796	3.1
213.14639	1.9
217.15892	1.7
221.13551	2.9
227.12581	2.5
229.14218	3.1
229.19521	4.0
241.12218	3.7
241.14270	1.9
257.18958	6.6
259.20621	2.8
267.15912	4.5
269.17432	10.7
273.18481	2.4
275.20044	43.2
293.21161	4.5
299.19940	2.1
299.23224	1.9
301.21262	1.9
333.17453	1.8
333.24463	2.4
339.18127	3.4
341.24429	2.2
349.23843	13.8
350.11893	1.8
395.20651	3.9
413.21524	7.0
415.29700	1.9
423.32718	2.8
431.28030	2.0
433.30972	3.8
451.31931	6.0
469.33047	3.9
515.37311	4.0
525.35724	14.4
543.36798	51.5
561.37817	3.3
567.36395	2.6
585.36469	2.1
633.37903	2.7
669.39197	5.1
687.40961	14.3
705.01312	2.3
705.41925	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	705.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01862	3.6
55.05509	12.4
57.03432	4.6
57.07078	11.7
59.04995	2.1
61.02924	10.5
64.15321	0.8
64.46607	0.9
65.03922	1.5
67.05161	1.8
67.05500	21.5
69.03425	7.9
69.07070	9.7
71.04991	2.9
71.08627	22.2
73.02914	6.2
73.06552	2.3
79.05488	16.7
81.03412	6.8
81.07051	15.9
83.04968	4.3
83.08610	7.8
85.02900	8.8
85.06532	1.2
85.10177	11.3
86.09682	1.3
87.04465	17.1
89.06026	69.5
91.03956	5.0
91.05476	23.8
93.07037	16.9
95.04968	8.4
95.08594	10.1
97.02882	8.1
97.06527	2.7
97.10165	8.0
97.24513	0.9
98.21577	2.1
99.04439	1.2
103.05463	2.8
105.07029	17.8
107.04948	8.4
107.07063	3.3
107.08596	10.3
109.02885	1.5
109.06525	1.9
109.10149	6.2
111.08086	2.3
115.05415	1.6
117.07010	7.7
117.09126	1.7
119.04935	3.4
119.08559	11.9
121.06490	20.7
121.10125	6.5
123.08079	2.2
123.11687	2.3
125.09628	5.0
127.03899	1.6
128.06255	1.6
129.06970	5.2
130.07701	1.0
130.08643	1.9
131.04955	1.5
131.07059	6.3
131.08548	10.1
133.06517	1.9
133.08598	40.2
133.10095	8.4
135.08037	8.0
135.11690	3.0
137.09555	1.7
141.06950	1.4
141.45401	0.9
143.08548	5.5
145.06479	4.0
145.10107	7.5
147.08028	9.3
147.11676	3.7
149.09608	10.5
149.13251	1.5
155.08545	2.7
157.10132	4.2
159.08061	3.4
159.11673	5.6
161.09660	1.8
161.13235	2.6
163.11198	6.2
165.09149	4.1
167.08557	1.4
169.10143	3.8
171.08153	1.6
171.11688	3.0
173.09605	2.9
173.13268	3.8
175.09720	2.3
175.11197	2.5
177.11240	8.9
177.12657	2.2
181.10141	2.1
183.11690	2.7
184.07317	3.2
185.09595	1.1
185.13315	2.9
187.11150	2.4
187.14832	1.4
189.11221	2.2
191.10701	2.8
193.10634	1.5
193.12199	4.5
195.11638	1.4
197.13290	2.4
199.11020	1.5
199.14882	1.6
201.12749	1.5
203.10504	1.1
209.11665	2.1
211.14935	2.1
227.12692	2.1
229.44972	1.3
235.13176	1.5
247.20515	9.6
259.20569	1.5
270.77902	1.0
275.20032	3.4
283.17395	1.1
283.20355	1.3
289.25159	1.9
291.23157	18.9
299.23581	4.5
301.21716	1.3
317.24707	1.7
335.25806	1.2
349.23730	1.9
357.24133	1.4
415.29648	1.0
421.25986	5.5
433.31052	2.9
435.27490	2.1
451.32147	5.1
469.33295	3.4
507.34729	1.9
525.35828	12.0
543.36768	100.0
544.37585	1.6
555.36450	1.1
567.36224	1.4
585.37640	1.7
588.48260	1.0
609.37329	1.1
651.39044	1.3
669.39557	2.3
687.40778	3.7
705.41754	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	705.1842
Annotation	Diinsinin
Peak:m/z	Relative Intensity
69.35616	8.3
98.20786	1.9
112.89646	0.9
143.57411	0.8
242.18694	0.7
319.87698	0.9
338.17731	0.9
423.08337	1.7
528.48621	1.0
543.13159	33.8
705.18451	100.0
706.18774	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.403
Annotation	Voacamidine
Peak:m/z	Relative Intensity
55.70839	0.3
63.63326	0.3
69.39120	2.8
81.69595	0.3
82.34067	0.3
96.72344	0.3
98.21574	0.6
98.69828	0.3
105.06996	0.4
107.74999	0.3
120.65816	0.3
184.07423	0.9
185.04243	0.8
259.07901	0.6
347.09540	0.9
421.12802	0.5
543.35052	21.3
544.35651	0.6
617.28326	0.3
705.40295	100.0
706.40820	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	705.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.8
55.01871	6.0
55.05259	1.4
55.05508	20.8
57.03431	7.9
57.07064	2.4
59.04980	1.4
61.02920	13.2
61.68196	0.9
65.03940	2.2
65.15107	0.9
66.36308	0.9
67.05501	39.3
68.05807	1.0
68.26455	1.0
69.03426	14.2
69.07063	11.4
69.32207	9.3
70.06584	1.6
71.01318	1.4
71.04984	3.4
73.02911	6.9
79.05055	1.9
79.05489	29.9
81.03413	15.9
81.07053	36.0
82.07384	1.4
83.04965	6.4
83.08614	12.3
85.02902	14.9
85.06525	2.1
87.04444	1.5
91.03944	5.8
91.05476	26.6
93.06461	1.7
93.07037	28.2
95.04960	12.6
95.08603	24.5
96.08960	0.9
97.02891	11.8
97.06516	4.9
97.10174	11.3
98.20761	1.5
99.04430	2.9
99.08041	1.8
101.02359	2.6
103.03964	0.9
103.05437	2.1
105.07018	22.5
107.04945	8.4
107.08579	19.7
109.02863	3.2
109.06528	7.0
109.10149	13.5
111.04469	2.6
111.08062	2.1
115.05408	1.6
116.06173	1.1
117.07023	15.4
119.08565	18.2
119.23065	0.9
121.06487	7.0
121.10132	10.3
123.08071	3.1
123.11710	3.1
124.99879	0.9
125.09632	7.7
127.03892	5.4
128.06235	2.9
129.07011	13.6
130.07771	1.0
131.08565	20.5
133.06479	3.7
133.10114	12.5
135.08058	6.3
135.11667	5.9
137.05914	1.0
137.09615	2.6
141.06998	3.8
142.07796	2.7
143.08563	11.5
144.09180	1.1
145.05008	1.0
145.06487	4.6
145.10123	17.6
147.08026	3.6
147.11703	8.4
149.09621	3.6
149.13210	2.9
151.07523	1.3
153.09123	1.1
154.07710	1.2
155.08522	7.3
157.06497	2.1
157.10094	12.1
159.08035	5.4
159.11671	11.4
161.09624	3.3
161.13255	3.8
163.11165	3.8
167.08572	3.6
169.10109	7.1
171.08069	3.0
171.11656	10.4
173.04471	1.8
173.09570	4.4
173.13191	7.0
175.11197	3.7
177.12688	1.1
179.08463	1.4
180.09238	1.2
181.10086	4.7
183.08131	1.6
183.11725	6.7
184.07306	2.9
185.09634	2.0
185.13272	5.0
187.11089	2.3
187.14778	2.7
189.09181	1.5
189.11197	4.4
189.12706	1.9
193.12212	2.0
195.11723	4.0
197.09679	1.4
197.13260	4.2
199.11134	2.1
199.14825	4.0
201.12766	1.8
201.16245	1.4
203.14255	1.3
205.10298	1.1
205.16029	1.1
207.11716	1.8
209.13303	2.8
211.11171	1.6
211.13112	1.2
211.14906	1.8
213.12701	1.9
213.16478	1.2
215.12704	2.0
216.13118	1.4
217.15779	1.2
219.11732	1.3
220.38049	1.0
221.13292	1.5
223.14899	1.2
225.12682	1.2
227.12625	5.9
231.13857	1.3
233.13255	1.2
237.16382	1.6
239.14296	1.2
241.19557	2.0
243.15881	1.4
247.16956	1.7
253.15739	1.2
259.20575	2.6
267.15921	3.3
269.17526	1.8
273.18564	1.6
275.20001	5.5
293.17743	0.9
297.22211	1.3
299.23657	6.9
301.21674	2.6
307.20227	1.1
313.21594	1.2
315.23175	1.3
323.23431	1.0
325.21512	1.3
327.23071	1.4
329.21045	1.6
349.23877	2.5
351.23325	1.3
357.24399	1.9
403.24786	2.1
413.21509	1.7
415.29941	1.5
417.26181	2.0
421.25818	6.4
423.32410	1.3
433.30957	6.8
435.27441	4.6
451.32159	9.3
469.33066	5.6
507.34561	2.2
508.33478	1.4
525.35718	21.8
541.34772	1.6
543.36780	100.0
544.37329	2.3
567.36957	2.0
585.37720	1.6
609.37512	1.2
651.38531	3.0
669.39600	3.0
677.40906	1.8
687.40771	4.6
705.41797	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43151	0.3
53.93614	0.3
54.57008	0.3
55.05499	1.2
56.05034	4.1
57.05822	0.6
58.06595	1.2
60.04522	0.6
67.05489	0.5
69.06718	0.6
69.07070	7.3
69.91409	1.9
70.06596	7.5
71.75428	0.4
72.07749	0.5
72.08156	12.1
74.06081	38.0
80.04954	0.3
82.57718	0.4
83.06091	0.4
84.04503	7.2
84.08147	2.6
85.02898	0.4
86.06062	4.0
86.09705	100.0
87.05584	0.3
87.10039	0.7
91.05466	0.4
101.07143	3.0
102.05546	5.2
104.03845	0.4
104.10651	0.3
105.07053	0.4
107.04974	1.0
110.06049	1.3
110.07181	1.1
112.03963	0.6
112.11247	0.7
114.05537	4.2
115.08690	0.4
120.08134	0.7
124.11219	0.9
127.08662	0.5
129.06630	0.5
129.10196	2.0
130.04985	2.6
136.07571	0.7
138.05495	0.4
138.09160	1.2
141.13895	1.3
142.12297	1.3
143.11809	0.8
148.06047	8.4
152.10695	0.4
155.08131	5.0
155.09322	0.4
155.11707	0.4
156.10205	0.8
169.09735	2.0
169.13356	1.9
173.09221	0.5
183.11284	3.0
184.07333	0.7
187.10844	1.0
187.14426	12.4
195.11360	0.5
197.09229	14.1
197.12955	0.5
201.12370	3.0
211.10805	1.5
214.11784	0.5
215.10272	13.9
215.13809	5.5
229.11855	2.5
240.16956	0.8
243.13399	6.7
243.15755	0.5
247.12885	4.2
256.16479	0.5
282.18118	9.2
300.19159	6.8
310.17587	16.0
316.18661	0.7
328.18671	29.2
329.19244	0.5
338.94534	0.4
340.15155	0.4
342.20386	1.4
344.18137	8.7
348.42166	0.4
358.12024	0.3
358.16168	1.1
376.17371	1.5
439.21909	2.8
443.25272	0.5
443.68799	0.3
457.22949	27.4
458.23193	0.6
554.90521	0.3
556.30042	1.5
734.81262	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07716	0.3
57.07084	0.4
63.66176	0.3
67.05466	0.3
69.49805	0.5
69.50204	2.0
93.07050	0.3
95.04947	0.3
98.98479	0.2
105.19340	0.3
125.00007	0.3
172.95335	0.3
184.07301	0.5
185.04251	0.9
190.96347	0.5
203.05476	0.3
213.40324	0.3
259.07907	0.3
347.09607	1.2
406.98047	0.2
418.41519	0.3
523.23767	0.3
541.33466	17.8
542.34009	0.9
703.38715	100.0
704.39105	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	703.3874
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23425	0.3
71.58819	0.4
81.07041	0.4
93.07042	0.3
93.38440	0.4
98.77051	0.3
108.98640	0.3
129.57199	0.3
133.96907	0.3
158.09727	0.4
185.04286	0.9
203.05313	1.3
207.01100	0.3
214.10350	0.4
259.07932	0.9
270.21768	0.3
295.05142	0.3
305.08252	0.6
347.09625	1.6
365.10498	3.2
398.84421	0.4
421.13193	1.3
541.33478	16.1
542.33850	0.5
577.52856	0.4
692.03253	0.4
703.38696	100.0
704.38947	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	702.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.4
53.03937	1.3
54.50731	0.3
55.01887	0.4
57.03428	0.5
61.02896	0.4
65.03932	2.1
69.03427	1.7
70.06586	2.7
71.04970	0.7
71.59253	0.5
72.08148	0.8
78.96441	0.3
79.05481	0.7
81.03415	4.6
84.04527	0.3
84.08160	0.8
85.02901	3.6
86.09710	1.1
91.05460	0.3
95.04955	5.3
97.02894	4.6
99.04438	0.7
107.04949	100.0
108.05325	1.0
108.35491	0.4
109.02868	2.2
110.07155	0.4
111.04433	1.2
120.08067	0.4
121.02860	97.5
122.03191	0.9
127.03898	2.4
129.10222	0.5
139.03893	21.1
145.04979	1.5
163.20412	0.4
164.42477	0.3
206.53700	0.3
215.06999	0.5
237.07584	0.9
247.05969	0.7
255.08655	4.8
265.07068	6.7
283.08112	30.7
284.08536	0.5
482.84171	0.3
493.63736	0.4
702.33789	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.7
55.01859	3.1
55.05506	15.7
57.03429	12.2
57.07064	5.1
59.04987	4.7
61.02910	4.4
65.03918	4.2
67.05500	100.0
68.05808	1.2
69.03419	4.7
69.07060	13.7
70.04056	1.7
70.06586	1.9
71.04974	4.3
71.59836	1.6
73.02925	2.7
76.54362	1.0
77.03921	1.4
79.05487	31.2
81.03389	4.5
81.07052	34.5
83.04967	3.8
83.08601	8.5
85.02892	4.5
85.06534	4.2
87.04510	1.4
88.07616	2.2
89.06032	3.6
91.03942	2.0
91.05471	40.9
92.05790	1.3
92.24647	1.1
93.07037	36.6
95.04958	8.5
95.08600	21.6
97.02879	5.0
97.06529	2.5
97.10154	3.5
97.58992	1.2
99.04449	1.6
103.05459	1.8
105.07026	42.5
106.07357	1.7
107.04932	3.5
107.08592	20.2
107.09302	2.2
108.12613	1.1
109.06518	2.2
109.10147	66.8
111.04440	1.2
111.08070	3.7
115.05453	1.9
117.06992	12.6
119.08572	34.9
121.06525	3.0
121.10132	13.7
123.08046	2.8
123.11663	1.7
125.09611	2.8
128.06267	1.3
129.06998	6.5
131.08557	14.6
133.10120	24.6
135.08049	1.5
135.11670	9.7
135.50336	1.1
137.09616	5.0
143.08548	5.6
145.10106	13.2
147.11674	22.9
149.02342	3.5
149.09627	2.2
149.13258	6.8
154.81898	1.1
155.08530	2.0
155.10640	2.7
157.10097	4.2
158.01511	1.1
159.11690	12.0
161.09636	1.2
161.13237	15.1
161.44347	1.1
163.11162	2.6
163.14806	2.8
169.10155	1.1
171.11612	6.9
173.04488	1.4
173.11723	19.4
173.13251	5.1
175.14812	5.1
177.12720	1.1
183.11716	1.5
184.07326	2.0
185.13239	6.6
187.14799	1.6
189.11136	1.5
193.04846	2.2
195.11688	1.2
197.13254	1.6
199.14815	5.0
213.16353	1.2
227.12805	5.9
229.14346	62.1
231.21085	4.8
238.17976	1.5
241.19498	18.5
243.21181	1.6
256.26324	3.0
259.20557	58.2
261.22116	2.9
268.31528	1.3
275.20105	2.3
277.21494	1.3
300.28854	1.4
304.91492	1.3
315.23099	4.7
333.24194	39.9
334.24359	1.4
367.17935	2.0
413.30701	1.6
469.33160	1.4
487.34183	17.4
505.35156	15.7
540.37402	5.3
595.36426	1.4
658.22882	1.7
702.38397	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	703.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16124	0.3
51.02367	0.8
53.03928	1.1
55.01838	0.4
62.12259	0.3
69.03424	1.0
69.54190	1.4
69.54613	0.9
70.06590	1.8
72.08138	0.4
75.86884	0.3
77.03918	0.4
79.05492	2.0
79.77328	0.3
81.03393	0.5
84.08109	0.6
85.02879	1.5
86.09675	0.6
95.04957	3.0
97.02870	0.8
103.47475	0.3
105.04504	0.5
107.04946	100.0
108.05289	2.7
119.04957	0.5
122.09625	0.3
124.48016	0.3
143.61189	0.3
146.07285	0.3
147.04420	0.9
150.92860	0.3
157.04704	2.2
161.02956	0.7
185.04251	0.8
201.03729	0.3
203.05280	7.2
211.09412	8.6
252.26164	0.3
255.08455	1.4
273.09427	63.6
319.09824	0.8
373.14685	1.2
381.02808	0.5
435.14713	88.1
436.15021	0.6
597.19983	2.9
703.24133	53.6
704.24506	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	0.8
64.92167	0.7
69.03405	0.8
69.40290	5.4
69.40702	1.1
70.06584	4.8
71.04973	2.0
72.08144	1.4
73.02891	0.8
81.03392	1.6
84.08139	1.3
85.02896	5.1
86.09668	2.0
91.05483	0.8
95.04936	1.0
97.02892	1.0
98.06052	1.1
107.04944	6.7
110.07139	1.1
110.09698	0.7
120.08125	1.0
121.02856	1.9
121.06496	1.0
122.42024	0.6
127.77083	0.6
127.83939	0.6
129.05522	0.7
129.10207	1.6
136.07536	1.0
137.05995	1.6
148.03693	4.3
150.09195	0.8
150.36230	0.7
159.09200	1.1
161.04321	0.8
162.05286	1.5
166.08617	0.8
170.69576	0.7
170.76309	0.7
176.07002	0.7
179.05513	18.1
180.06271	3.1
186.05266	0.9
188.06778	5.0
229.05023	1.1
235.12279	3.0
261.09894	0.8
285.12186	1.5
287.05463	2.1
289.09918	0.8
293.12570	0.8
297.12280	1.1
299.05524	10.2
301.09467	0.8
303.11008	1.8
309.12131	0.7
314.04886	0.8
315.04922	0.9
315.11047	2.8
317.12634	0.9
319.10318	1.1
321.12067	8.8
327.13010	2.5
333.11923	1.6
335.13654	0.8
345.14139	6.2
347.10028	1.5
348.10864	2.9
348.31311	0.7
349.11597	3.5
359.09967	5.3
360.10837	3.0
361.11273	0.7
365.10715	1.3
379.12292	1.5
382.18912	1.7
388.19855	1.0
393.09628	21.9
394.10126	1.2
408.85416	0.7
410.18353	1.7
414.17444	0.8
424.19812	0.8
439.18698	0.8
450.16867	1.2
454.16818	1.5
468.18832	5.1
469.19257	1.1
472.18262	3.7
473.17908	0.8
484.17517	3.1
485.18857	1.1
486.19885	8.9
487.20221	0.9
504.16855	0.7
512.17877	5.0
513.18842	5.1
514.19122	1.4
518.13660	1.0
544.11829	1.5
544.19641	3.0
609.22260	1.2
625.26257	4.1
631.21704	0.9
641.25000	0.8
669.25159	100.0
670.25555	3.9
701.27930	89.6
701.39001	10.3
701.48981	6.1
702.27789	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	701.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	0.3
73.18803	0.2
185.04251	0.3
229.65517	0.4
259.07852	0.5
347.09595	1.1
458.19513	0.3
539.31952	15.8
540.32275	0.6
680.16248	0.4
701.37170	100.0
702.37445	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	701.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.2
55.01646	0.1
55.01895	0.3
55.05506	0.2
56.96552	0.1
57.03432	1.7
59.05003	0.2
61.02923	0.7
65.03931	0.2
69.03426	1.4
70.06576	0.5
71.01348	0.3
71.04987	10.1
71.06885	0.1
71.59895	0.2
72.08165	0.2
73.02909	0.6
73.42831	0.1
75.04458	0.5
79.35632	0.1
81.03412	0.5
83.04967	0.5
84.68305	0.1
85.02898	14.4
86.09708	0.2
87.04462	0.5
91.03931	0.2
96.10925	0.1
97.02876	1.6
99.04459	0.3
105.03388	0.2
107.01307	0.8
107.04921	0.6
109.02873	0.4
111.04431	0.4
120.08176	0.1
121.02857	5.1
127.03904	0.7
129.05473	2.8
133.06438	0.3
135.04391	0.1
141.07016	0.1
145.04977	0.7
145.06461	0.2
147.04395	0.4
147.06577	0.6
149.02344	0.3
157.06529	0.2
161.06023	0.1
165.01810	0.8
167.78671	0.1
169.06470	0.4
171.04422	0.2
173.05966	2.6
183.02979	0.7
183.04388	0.2
187.07477	0.1
195.02911	0.1
197.05937	0.7
199.03964	0.1
201.05437	1.0
204.54428	0.1
215.07094	0.2
225.05457	0.4
229.04951	5.0
243.06584	0.8
253.04967	0.4
257.04431	0.3
271.06058	0.5
287.05563	0.5
299.05472	59.0
300.05826	1.0
311.05374	0.4
341.06573	0.4
361.22964	0.1
392.08783	0.2
393.09634	100.0
394.10019	1.9
405.09686	0.2
435.10754	0.3
459.10944	0.2
469.13513	0.4
555.14661	0.2
670.54938	0.1
701.39563	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.4
53.70417	0.1
55.01854	0.5
55.05475	0.3
57.03433	2.2
61.02927	0.6
65.03906	0.2
65.70481	0.1
66.30692	0.1
68.99789	0.2
69.03418	1.2
69.70904	0.8
70.06556	0.4
71.04984	10.3
73.02883	0.4
75.04441	0.4
81.03419	0.7
83.01322	0.1
83.04970	0.6
83.06068	0.1
85.02895	14.5
87.04445	0.3
91.03916	0.3
91.05487	0.1
97.02876	1.1
99.04392	0.3
105.03358	0.3
107.04948	0.6
108.68614	0.1
109.02829	0.2
109.49007	0.1
110.07102	0.3
111.04379	0.4
121.01988	0.2
121.02859	4.3
123.00837	0.2
127.03896	0.9
129.05464	2.8
135.04422	0.1
137.02306	0.3
141.00731	0.1
141.01817	2.1
145.04936	0.8
147.04401	0.7
147.06487	0.5
149.02353	0.2
165.01802	1.6
169.06473	0.2
180.76555	0.1
183.02890	1.6
183.04414	0.1
187.07481	0.2
197.05928	0.8
201.05452	0.4
215.06953	0.3
225.05458	1.0
243.06519	1.5
271.05939	0.7
288.61392	0.1
299.05463	100.0
300.05777	1.8
309.58679	0.1
311.05612	0.1
393.09634	35.1
394.09906	0.6
406.84436	0.1
443.09515	0.2
555.14722	0.2
651.37329	0.2
700.35571	0.1
701.49207	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.2
55.01851	0.6
55.05488	0.3
57.03431	2.0
58.85885	0.1
59.31569	0.2
60.36940	0.1
61.02889	0.5
64.11427	0.1
67.05468	0.2
68.99790	0.2
69.03419	1.3
70.06588	0.9
71.01339	0.2
71.04985	11.4
73.02887	0.4
74.40276	0.1
75.04491	0.8
81.03380	0.5
81.83015	0.1
83.04941	0.6
83.28831	0.1
84.08101	0.3
85.02895	16.8
86.09669	0.4
87.04448	0.5
89.06023	0.1
91.03912	0.2
97.02890	1.4
99.04406	0.3
103.03899	0.2
105.03307	0.2
105.07011	0.2
107.01279	0.6
107.04954	1.1
109.02862	0.4
111.04392	0.5
120.08067	0.1
121.01984	0.3
121.02855	5.4
127.03934	0.7
129.05475	3.4
133.06479	0.2
141.06923	0.2
145.04942	0.6
145.06380	0.3
147.04382	0.6
147.06505	1.0
149.02290	0.2
157.06409	0.2
165.01801	0.7
166.15015	0.1
169.06470	0.3
170.77957	0.2
171.04390	0.3
173.05981	2.1
183.02893	0.9
197.05949	0.7
201.05441	1.0
211.03893	0.2
225.05435	0.3
229.04942	4.6
243.06487	0.9
253.04988	0.2
257.04553	0.2
271.05927	0.5
275.05661	0.2
287.05493	0.4
299.05466	57.5
300.05832	1.1
311.05356	0.4
341.06458	0.4
393.09628	100.0
394.10117	1.7
433.10904	0.2
435.10773	0.4
437.11331	0.1
457.20981	0.2
459.10565	0.3
537.13916	0.3
555.14520	0.2
669.24841	0.2
683.34344	0.2
701.27844	0.2
701.38580	0.8
701.49341	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.2
55.01866	0.5
55.05506	0.1
57.03431	1.8
59.04974	0.1
61.02920	0.6
65.03937	0.2
69.03428	1.4
71.01347	0.2
71.04988	10.1
72.05350	0.1
73.02924	0.4
75.04476	0.4
77.35993	0.1
81.03422	0.7
83.04979	0.6
85.02898	13.9
87.04467	0.4
91.03928	0.3
97.02880	1.4
99.04449	0.4
105.03391	0.2
107.01305	0.7
107.04971	0.3
109.02867	0.3
111.04432	0.5
115.98837	0.1
121.02859	5.1
127.03912	0.6
129.05475	2.8
133.02843	0.1
133.06448	0.1
137.02240	0.1
141.06990	0.1
145.04953	0.8
145.06488	0.3
147.04402	0.4
147.06462	0.7
149.02336	0.3
157.06543	0.3
162.03453	0.1
164.26328	0.1
165.01834	1.0
169.06497	0.3
171.04337	0.1
173.05975	2.3
183.02898	0.8
183.04340	0.2
197.05965	0.7
201.05463	0.8
208.36674	0.1
215.07050	0.1
225.05470	0.3
229.04941	4.7
230.05334	0.2
243.06569	0.8
253.04971	0.4
257.04562	0.1
271.05988	0.5
287.05493	0.4
299.05472	57.8
300.05838	1.5
311.05646	0.1
341.06531	0.1
393.09634	100.0
394.10016	3.6
435.10776	0.2
459.10968	0.1
519.13129	0.2
555.14825	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.0
56.96568	14.5
62.53934	0.7
70.06585	1.5
70.16390	2.8
71.40612	0.6
71.95260	1.1
72.08141	0.8
72.96061	0.8
74.97626	1.0
75.46618	0.7
78.11701	0.7
78.91607	0.6
83.08616	1.3
83.83479	0.7
84.08128	1.0
91.05474	0.7
98.20860	0.8
105.07016	0.9
107.04966	5.6
108.05258	0.9
126.38830	0.7
131.97218	0.8
133.06488	1.7
145.06454	0.8
146.99648	1.6
154.30649	0.7
155.03848	0.9
159.03323	0.6
184.07364	1.0
185.04836	0.8
189.04498	0.8
189.08081	0.6
196.71527	0.7
199.06445	2.1
203.05865	1.7
205.07454	1.5
213.07957	6.7
217.07448	4.7
223.10112	0.9
225.07971	3.5
229.07448	2.6
231.09052	13.5
237.07889	1.0
239.09557	3.5
241.11119	5.1
243.09048	5.6
247.08559	3.1
250.75412	0.7
251.09506	5.0
255.09050	2.7
257.10590	3.8
259.12173	10.4
261.10153	1.1
269.10611	38.3
270.11005	1.0
273.10065	2.7
274.10605	0.7
287.11661	27.9
292.12241	2.1
310.13141	1.2
333.17416	9.8
351.18423	25.4
369.19495	100.0
370.19806	2.1
374.19943	2.3
385.19168	0.8
387.20517	44.3
409.21542	0.7
410.22165	10.4
699.43378	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	700.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	5.3
57.03432	5.4
57.06833	2.0
57.07081	30.3
60.08181	2.0
61.02931	13.1
65.85923	1.6
67.05508	13.8
69.07085	9.6
69.83134	10.3
71.08635	30.1
72.91356	1.7
73.02895	5.2
75.04468	2.0
81.07056	17.0
83.08610	5.9
85.02909	15.2
85.10185	19.3
86.09685	7.0
91.03963	12.0
93.07043	2.1
95.08068	2.0
95.08613	27.4
97.02882	7.1
97.10156	8.7
99.11742	1.9
103.07568	1.7
109.10164	12.2
111.11740	4.1
119.08591	2.3
123.11720	4.6
124.99981	5.5
127.03900	3.3
137.13272	2.0
145.04947	5.8
163.05986	8.7
184.07329	33.0
197.32439	1.5
267.26828	25.0
285.27823	2.9
341.30505	100.0
342.30981	2.4
359.31580	23.0
592.15741	1.7
700.44543	6.6
701.45770	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	699.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21346	0.6
55.05507	2.1
57.07071	7.2
60.69469	0.7
66.78731	0.6
67.05495	2.6
69.07062	19.8
70.04081	1.0
70.07838	1.2
70.60783	1.8
70.61141	0.7
70.95329	0.7
79.05491	1.6
80.81359	0.5
81.07050	2.3
81.31379	0.6
82.01369	0.6
83.08607	0.7
91.05483	0.8
93.07037	1.4
95.04981	1.3
95.08613	1.8
97.06557	0.8
98.99991	1.0
104.76461	0.7
105.07029	2.5
107.08568	1.1
109.10159	0.7
112.69940	0.6
115.07571	1.5
119.08553	1.0
121.06538	0.7
126.99470	2.6
129.00989	3.8
133.08598	0.8
141.01021	2.8
155.02556	1.5
169.04163	1.2
178.09814	0.8
197.07268	9.8
206.30391	0.6
247.69707	0.6
277.21451	0.7
313.27353	0.9
333.20459	1.3
334.09439	0.7
335.22073	0.8
347.79581	0.6
362.16238	1.2
373.11801	1.4
377.39886	0.6
385.11575	0.9
389.22916	1.4
454.43491	0.7
470.18210	0.8
522.81409	0.7
587.45605	0.6
597.17737	9.4
598.18073	1.6
629.86194	0.7
699.42896	100.0
700.42688	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	699.435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	0.5
56.96514	12.1
56.96820	0.9
70.06547	0.3
71.11426	0.5
71.95207	1.0
72.95999	0.8
74.97546	0.4
83.08569	0.3
84.49289	0.3
94.11290	0.3
97.96828	0.4
98.43965	0.2
110.97572	0.4
123.01131	0.5
128.98511	1.1
133.01672	0.3
139.00671	0.3
141.02196	0.3
146.99561	1.0
155.03716	0.5
157.01585	0.3
159.03252	0.5
161.04883	0.3
165.00671	0.3
169.05255	0.3
171.03262	0.7
173.04800	0.5
175.06461	0.3
177.04306	0.3
181.05339	0.5
183.03113	0.3
185.04828	0.9
187.02736	0.5
187.06355	0.6
189.04283	0.9
191.05847	0.3
195.06880	0.7
197.04796	0.3
197.08405	0.3
199.06424	2.0
201.04309	0.4
203.05978	2.1
205.07437	0.9
209.08476	0.4
211.06395	0.8
211.09827	0.3
213.06096	0.4
213.07994	5.2
215.05804	0.4
217.07457	4.7
221.08603	0.6
222.07713	0.6
223.10075	1.2
225.07974	2.6
225.11667	0.4
227.09480	0.8
229.07556	0.6
229.11079	0.3
231.09039	11.5
235.08426	0.4
236.09540	0.4
237.07915	1.1
239.09557	5.7
241.11108	7.3
242.22302	0.3
243.09016	3.1
245.10654	2.3
248.09677	0.3
249.07874	0.4
249.10185	0.4
251.09528	4.3
251.11871	0.5
253.11067	0.8
254.10622	0.6
255.09018	6.2
257.10599	12.0
258.10620	0.3
259.12177	18.1
262.11136	0.4
264.12677	0.5
267.09174	0.5
269.10602	31.3
270.10849	0.6
271.12094	0.7
273.07239	0.4
273.10089	5.4
275.11667	6.4
278.10791	0.3
280.12158	0.8
281.10733	0.3
282.13803	0.9
285.10217	0.6
287.11655	20.3
292.12302	1.6
298.13351	0.3
309.17419	0.9
310.13300	0.4
315.16281	0.4
316.20270	0.3
327.18210	0.3
333.17322	5.2
339.18848	0.3
351.18436	17.9
369.19476	58.1
370.19882	1.2
374.19998	1.1
387.20529	100.0
388.20978	1.8
392.21078	0.7
405.21735	1.0
410.22101	9.8
411.22299	0.4
648.41382	0.3
699.43488	26.0
700.44043	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35403	0.2
55.05489	0.4
64.20984	0.2
67.05502	0.7
69.03433	0.3
69.07052	0.3
69.40508	1.8
69.81831	0.2
79.05484	0.4
81.07053	0.4
84.00747	0.2
91.05476	0.4
93.07045	0.5
98.20645	0.4
105.07016	0.6
106.57779	0.2
107.04965	0.4
107.08591	0.3
109.10134	0.3
117.07075	0.3
126.46743	0.2
133.03508	0.3
133.08612	0.2
157.03569	0.3
158.97620	0.3
161.03014	0.3
173.02939	0.4
175.04457	0.2
185.04271	0.7
203.05334	0.4
259.08057	0.6
272.25208	0.3
301.20068	1.2
305.07120	0.3
319.21109	0.6
347.09415	1.2
360.15799	0.3
421.12814	0.3
530.67792	0.2
537.30310	16.5
538.30573	0.6
575.22614	0.3
698.53918	0.7
699.35529	100.0
700.35791	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	699.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.6
53.03933	1.3
55.01839	0.2
59.04982	0.5
65.03973	0.3
67.05466	0.3
69.07059	0.4
70.21192	1.0
73.02900	0.5
73.06543	1.6
73.53343	0.2
77.03902	0.4
79.05483	5.4
80.98145	0.3
83.70340	0.3
87.04456	6.9
89.06019	51.0
91.04894	0.5
91.05468	9.6
91.07575	0.4
93.07034	2.4
95.04958	2.9
103.05450	6.4
105.07015	100.0
106.07378	0.4
107.04952	1.4
107.07056	2.2
112.35236	0.3
115.05445	0.4
117.06989	1.8
117.09109	0.8
119.04966	1.7
119.08553	4.9
121.06487	18.2
128.06212	1.1
129.06990	3.6
130.08612	0.8
131.07054	1.8
131.08540	6.7
132.05690	0.8
133.08583	26.8
133.10176	1.0
135.08031	0.6
139.84717	0.2
145.06450	1.2
145.10178	0.3
147.08025	31.3
148.04787	0.2
148.08395	0.4
149.09602	6.3
163.07558	0.3
163.11087	0.5
165.09056	1.9
166.07837	0.5
173.09544	0.8
175.09627	1.0
175.11102	0.5
177.11200	7.6
179.08493	0.6
181.10143	1.6
191.10529	0.5
192.09224	0.4
193.12225	0.7
195.11798	0.4
196.08884	0.3
207.11743	0.3
208.08749	0.6
209.11653	1.1
209.13385	0.3
221.09549	0.3
221.13672	0.8
222.10466	0.4
223.11143	2.5
225.12708	15.9
227.12607	0.4
249.12773	2.5
251.14307	2.5
269.15317	3.8
283.17371	0.3
295.16824	0.4
311.16394	0.3
313.17810	0.8
315.17627	0.3
327.17133	0.5
329.18823	0.4
373.21536	2.4
515.08710	0.3
532.52240	0.3
699.43469	0.6
699.54584	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01608	0.3
51.02346	0.3
53.03941	1.4
53.04168	0.2
58.25688	0.2
59.05002	0.4
59.57578	0.3
60.22532	0.3
65.03947	0.3
67.05523	0.3
69.03422	0.3
69.32925	0.6
69.33344	2.1
69.41349	0.2
73.02919	0.5
73.06566	1.4
77.03941	0.7
79.05491	5.5
81.07028	0.3
87.04462	7.1
89.06026	48.9
91.05475	11.1
91.06061	0.4
91.07555	0.4
93.07045	3.0
95.04964	3.3
103.05464	6.3
105.07023	100.0
106.07371	0.7
107.04957	1.6
107.07069	2.5
115.05451	0.5
116.06252	0.5
117.07008	1.4
117.09132	0.7
119.04932	1.7
119.08575	4.5
121.06497	19.1
128.06189	0.8
129.07002	3.5
130.08636	1.1
131.07095	2.0
131.08554	7.2
132.05692	1.1
133.06473	0.8
133.08594	26.5
133.10187	0.8
134.09009	0.3
135.08051	0.6
141.06941	0.3
145.06450	1.2
145.10112	0.3
147.08035	29.1
149.09595	6.5
159.07965	0.2
161.09618	0.2
163.11191	0.3
165.07007	0.7
165.09079	2.5
166.07764	0.4
167.08513	0.3
173.09566	0.7
175.09624	0.9
177.11217	6.6
177.12624	0.3
179.08572	0.2
181.10178	1.3
191.10648	0.4
192.09302	0.4
193.10381	0.2
193.12141	0.6
195.08022	0.3
208.08817	0.6
209.11717	0.9
221.13759	0.6
222.10248	0.3
223.11194	2.0
225.12717	13.9
230.42769	0.3
249.12799	2.2
251.14287	2.2
266.05563	0.3
269.15350	3.4
271.15433	0.4
283.17331	0.3
295.16855	0.4
313.17883	0.6
329.18832	0.3
341.19507	0.3
373.21555	2.9
389.79855	0.3
423.82629	0.3
491.28107	0.3
699.53149	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05269	2.7
55.05517	33.4
55.95326	2.8
57.03429	10.5
57.07077	17.9
61.02930	31.2
63.39886	2.5
67.05507	45.7
69.07072	51.1
69.48331	5.7
69.48734	18.1
71.04993	3.8
71.08630	11.1
73.02911	10.0
79.05499	21.3
81.07055	44.6
83.08624	37.5
84.70402	2.5
85.02910	39.6
85.06525	2.8
85.10172	4.9
89.06076	2.8
91.03968	27.4
91.05479	4.2
93.07043	20.9
95.08615	54.3
97.02889	18.1
97.06524	10.4
97.09745	2.5
97.10191	28.0
99.04472	3.8
99.08081	3.0
105.07046	3.7
107.08617	17.3
109.10161	23.4
111.08080	5.8
111.11729	7.2
121.10163	38.2
123.11722	8.2
124.11164	2.7
125.09653	2.6
127.03905	13.0
134.95746	2.8
135.11693	34.4
137.13258	3.5
145.04913	12.8
149.13293	13.9
151.14801	4.2
163.06073	21.7
163.14873	4.6
165.16330	5.8
179.91844	2.5
247.24205	33.8
250.92220	2.6
265.25281	100.0
283.26312	14.7
313.27512	4.0
339.28986	80.1
340.29324	3.2
357.29980	45.6
416.70483	2.6
446.50458	3.3
537.95294	2.7
691.75323	3.1
698.43304	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	698.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	25.5
57.03432	6.2
57.07079	15.8
61.02929	25.7
67.05507	32.5
68.46743	1.5
69.03410	2.5
69.07067	48.2
71.08641	10.5
73.02907	8.1
75.04478	2.5
79.05490	17.4
80.05014	1.8
81.03406	1.9
81.07056	40.8
83.04980	2.6
83.08624	36.4
85.02911	26.4
85.10175	4.8
91.03951	25.0
91.05488	3.1
93.07051	18.8
94.06541	3.7
95.07323	2.5
95.08609	43.6
97.02894	14.5
97.06528	7.0
97.10169	24.4
98.21516	3.5
99.08106	2.9
107.08595	12.5
109.10155	23.0
111.08092	5.5
111.11721	5.1
118.54843	1.4
119.08553	2.1
121.10137	33.6
121.75151	1.3
123.11718	6.5
125.09601	2.7
127.03935	10.2
127.14851	1.5
128.17337	1.4
132.44351	1.4
135.11694	29.5
137.13283	3.8
139.11197	3.0
145.04945	12.4
147.14662	1.5
149.13248	13.8
151.14818	5.1
153.12671	2.0
163.06009	17.9
163.14836	6.8
165.16418	5.6
192.27634	1.7
220.37074	1.6
227.20110	2.1
247.24203	34.2
262.25320	25.1
265.25256	89.0
266.25705	1.8
280.26422	3.1
283.26346	16.5
289.91071	1.5
339.28952	100.0
340.29153	3.3
357.30008	43.0
363.13754	1.7
500.48019	2.3
501.34338	5.2
518.49036	4.3
680.54803	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.3
59.87074	0.2
67.05499	0.6
69.07078	0.3
69.29116	1.1
69.29539	1.3
69.38868	0.2
73.02924	0.3
73.24315	0.3
77.09991	0.2
78.03692	0.2
79.05509	0.5
81.07058	0.6
85.02928	0.3
89.06020	0.3
91.05482	0.6
93.07060	0.3
95.04965	0.4
95.08594	0.4
97.28685	0.2
105.07028	1.9
107.08572	0.4
107.36773	0.3
133.08644	0.3
136.09337	0.2
143.68198	0.2
161.02989	0.3
183.88623	0.2
185.04187	0.5
191.29697	0.2
203.05267	1.7
259.07932	1.0
301.20248	1.0
305.07950	0.3
342.77545	0.2
347.09460	1.0
365.10577	3.2
421.13202	1.1
537.30310	14.2
538.30829	0.6
699.35541	100.0
700.35822	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	697.34
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93750	0.7
53.03900	1.2
55.01827	1.1
55.05456	2.4
57.03384	3.1
57.07040	1.2
61.02864	6.7
67.05501	14.8
69.03365	4.2
69.07003	3.0
69.07340	1.0
69.36226	5.4
69.36633	0.9
71.04944	1.4
73.02910	5.2
79.05498	3.2
81.03426	3.3
81.07064	6.3
83.04950	1.3
83.08568	2.0
85.02904	8.0
87.04417	1.5
89.05939	1.0
91.03941	5.1
91.05460	3.2
93.07029	3.2
95.04899	2.3
95.08602	3.5
97.02882	5.8
97.06455	0.8
99.04412	1.6
101.02307	2.7
103.03867	1.0
105.06963	3.1
107.04894	1.6
107.08512	3.1
109.02838	0.7
109.06427	0.9
109.10153	11.7
110.07076	3.2
111.08043	1.1
119.08520	2.0
121.10102	1.6
121.88744	0.8
127.03837	3.0
129.05409	0.7
129.07008	0.9
131.08522	1.2
133.08575	0.8
133.10094	1.4
135.08049	0.8
135.11600	1.0
135.30521	0.9
137.09541	1.2
145.10156	0.7
147.11592	0.9
149.09544	0.8
149.13190	1.0
151.07411	1.0
155.10634	0.7
159.11505	0.7
173.11751	4.1
174.80035	0.7
181.04544	1.2
185.04242	3.7
195.09906	1.3
201.03719	1.5
203.05270	1.2
221.11441	2.2
229.14297	2.9
235.12874	1.3
243.08514	3.6
265.14111	0.8
301.08948	4.6
311.42178	0.7
315.10461	2.6
329.12000	1.1
357.14832	0.9
369.15167	1.4
371.16620	3.3
373.11078	3.3
385.18216	2.7
387.12650	0.8
389.26639	1.1
413.17795	21.0
413.23044	1.3
425.21402	3.6
429.17261	1.7
435.27386	1.3
443.19037	0.9
453.21088	5.4
455.18921	1.0
463.26797	1.3
469.20587	1.1
476.63519	0.7
483.22083	1.2
484.22598	1.7
485.19806	8.4
497.23340	1.6
499.21198	4.1
516.21790	1.4
527.24884	0.8
541.25922	4.4
553.29791	1.7
567.31390	21.5
568.31653	1.4
596.31531	7.4
597.33105	0.8
623.34229	1.6
625.31915	100.0
626.32202	2.0
628.30951	6.1
651.33441	7.7
653.34479	2.5
669.34302	1.0
679.38885	1.0
697.34021	35.2
697.47668	2.9
698.12445	1.3
698.33624	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.2
53.03938	0.6
53.19698	0.1
54.05384	0.1
55.01862	0.1
59.05003	0.2
69.03429	0.2
70.06577	0.4
71.04984	1.6
71.59227	0.1
73.06563	0.3
77.03886	0.2
79.05483	0.9
81.03423	0.4
84.04498	0.1
84.08134	0.1
85.02879	0.7
89.06014	0.1
92.72796	0.1
95.04961	1.7
97.02907	0.3
99.04449	4.1
105.04509	0.2
107.04947	100.0
108.05278	0.7
117.05479	1.9
121.06542	0.1
123.04396	0.1
127.03894	0.3
128.80528	0.1
129.05440	0.1
133.06534	0.2
135.06517	0.5
145.04950	0.3
147.04395	0.3
157.04979	0.4
175.06013	7.0
197.08208	0.2
215.09077	0.7
233.10181	4.7
287.05582	0.3
288.05920	0.3
357.15744	0.2
468.53421	0.1
484.59436	0.1
634.66418	0.1
637.08698	0.1
729.74951	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	697.1602
Annotation	Quercetin 3-(6''-malonylneohesperidoside)
Peak:m/z	Relative Intensity
53.03938	1.1
55.01861	1.1
57.03444	1.5
57.21649	0.2
61.02909	0.9
68.99770	0.7
69.03424	4.3
70.06590	3.8
70.85849	0.5
71.04990	8.8
71.06895	0.3
72.08147	0.7
73.02934	1.6
74.18768	0.2
75.04470	0.4
81.02967	0.4
81.03412	5.1
83.04963	0.8
84.04488	0.4
84.08135	0.5
85.02902	15.7
86.09693	0.6
87.00829	3.3
87.04447	0.4
89.06028	0.6
90.59132	0.2
91.03953	0.4
93.03376	0.2
94.39284	0.2
95.04995	0.5
97.02888	3.3
97.97689	0.3
99.04452	1.9
103.03903	0.4
103.05509	0.3
105.01852	2.3
107.04942	1.4
109.02879	4.5
111.00801	0.6
111.04418	0.7
114.09144	1.1
117.01835	0.6
120.08099	0.4
121.02862	0.7
127.03917	7.2
129.01801	0.5
129.05441	1.4
129.10112	0.3
130.04990	0.3
133.08591	0.3
137.02344	2.4
138.05472	0.4
145.04958	3.2
145.06075	0.3
145.06549	0.3
147.02882	0.5
147.06546	0.3
149.02386	0.4
153.01823	2.7
159.02902	2.8
163.03955	0.4
165.01823	1.4
166.02623	0.3
176.12845	0.5
177.03304	0.4
177.05490	0.3
183.02870	0.8
187.03920	0.3
201.05449	1.0
213.03883	0.4
215.03333	0.3
229.04968	3.3
231.04915	1.6
247.06047	0.5
251.48520	0.3
257.04413	2.0
257.18488	0.2
274.04794	0.8
285.03809	1.3
294.11230	0.4
299.05679	0.4
303.04980	100.0
304.05228	0.8
315.04956	0.5
319.13092	0.4
345.05890	1.3
355.07410	0.7
369.06348	0.4
449.10880	0.5
551.10309	1.3
590.37750	3.2
591.37585	1.3
698.79980	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	14.6
57.03453	2.8
57.07071	10.9
61.02929	28.9
67.05505	67.5
69.03445	4.7
69.07076	19.2
71.04030	7.6
71.08624	6.8
72.23093	3.1
73.02915	9.5
78.68143	3.0
79.05499	23.2
81.07059	77.5
83.04976	2.9
83.08627	15.1
85.02897	30.7
85.10218	2.7
85.58080	2.6
91.03968	25.1
91.05502	17.3
93.07047	21.4
95.08611	73.3
97.02891	14.2
97.06536	4.3
97.10174	8.9
99.08093	3.2
105.07034	9.1
105.21314	2.9
107.08592	18.8
109.10168	35.3
113.09677	2.9
115.45284	3.0
119.08603	14.5
121.10141	15.7
123.11715	16.2
127.03924	10.3
133.10156	17.3
135.11708	13.1
137.13222	7.1
141.12756	4.2
145.04979	17.3
147.11716	6.3
149.13278	11.1
150.64330	3.1
151.14832	5.0
155.14261	3.9
161.13306	10.6
163.06013	21.3
163.14821	13.7
165.16382	10.0
175.14871	10.4
179.18027	9.4
189.16374	7.2
219.00500	3.0
245.22647	70.8
247.08852	2.8
263.23712	100.0
337.27356	46.2
355.28745	5.4
508.92566	3.0
698.62360	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	696.541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
53.48744	0.5
55.05257	0.7
55.05514	7.1
56.05043	3.8
57.03420	1.0
57.07074	3.4
58.06607	1.1
60.04523	2.1
61.02922	0.9
61.74692	0.4
65.03932	1.1
66.15267	0.5
67.05509	13.0
68.05030	1.1
69.03420	1.9
69.06722	0.8
69.07073	9.1
69.93902	2.6
70.06583	2.6
71.04970	0.5
71.08632	1.6
79.05498	9.6
80.05027	2.9
81.03416	1.1
81.05790	1.6
81.07059	9.0
82.06586	8.1
83.08625	5.1
84.08138	0.7
85.02917	4.0
85.10195	0.6
91.05486	8.3
93.05782	0.9
93.07053	9.9
94.06572	19.1
95.04968	1.4
95.07352	7.5
95.08614	7.9
96.08137	6.1
97.02896	1.1
97.06509	0.5
97.10176	2.7
105.07039	4.5
107.07354	0.6
107.08589	5.6
108.08102	2.8
109.10152	3.4
111.11725	0.7
119.08590	6.0
121.10152	5.6
122.09657	2.2
123.11717	1.2
133.10138	3.0
133.95229	0.5
134.09676	0.6
135.10435	0.7
135.11714	3.0
136.11212	1.4
137.13239	0.7
147.11705	1.1
149.13263	1.1
161.13193	0.9
177.06718	0.5
203.17773	0.6
207.32452	0.5
219.21051	0.6
233.22711	3.6
245.22690	5.1
250.25308	5.8
254.24802	1.7
260.23608	0.7
262.25317	100.0
263.25757	1.0
272.25842	4.7
280.26352	5.7
312.25345	0.7
442.31638	0.6
504.47824	3.4
516.47797	18.7
517.48053	0.8
518.49445	6.5
534.48615	4.7
696.53931	1.4
700.01251	0.6
726.39166	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05452	0.8
56.96509	23.1
56.96817	2.1
70.06543	0.5
70.43919	0.3
71.15150	0.4
71.95193	1.4
72.95973	0.7
74.97565	0.8
83.08579	0.6
84.96007	0.6
87.07266	0.2
91.05406	0.4
92.98569	0.5
97.96766	0.5
97.99135	0.3
98.97540	0.3
105.00095	0.3
105.06979	0.3
107.04963	2.3
110.97546	0.3
110.99590	0.2
115.97768	0.5
123.01204	1.9
128.98528	0.7
133.01613	0.3
133.98795	0.3
134.99582	0.4
137.02702	0.4
141.02191	1.6
143.00050	0.3
145.01654	0.6
146.99718	1.3
149.01202	0.4
151.00665	0.5
153.02168	0.7
155.03709	1.0
157.01718	1.5
159.03171	1.0
163.02815	0.4
163.04272	0.4
165.02176	0.4
167.03732	1.1
169.01765	1.4
169.05267	0.6
171.03302	2.7
173.04741	0.7
175.02660	0.7
175.04131	0.4
177.04311	0.8
177.05782	0.3
179.02267	0.3
179.03741	0.7
181.05286	1.2
183.03291	1.9
183.06947	0.3
184.07301	0.4
185.04852	2.2
187.02800	2.5
187.06383	0.6
189.04382	2.1
189.07927	0.3
191.03795	0.4
191.05836	0.5
192.03236	0.3
193.03714	0.5
193.05330	0.9
195.03223	0.7
197.04843	6.6
198.05345	0.7
199.02663	0.6
199.06403	3.5
201.04340	10.2
202.04924	0.3
203.05887	2.7
205.03680	0.4
205.05424	0.6
205.07391	1.3
207.03333	0.3
207.06937	0.7
207.08966	0.4
209.04793	1.1
209.08499	0.7
211.06404	3.0
211.09911	0.4
213.04257	0.8
213.07945	0.4
215.05890	7.4
216.06621	0.5
217.03583	0.3
217.05321	3.2
217.07417	6.6
218.04506	0.4
219.05304	7.9
219.07002	0.9
220.06412	0.3
221.04903	0.5
221.08429	1.2
221.10413	0.4
223.06436	2.5
223.08365	0.4
223.10222	0.4
224.05927	0.6
225.07921	1.9
227.05890	1.9
227.09499	0.8
229.05370	0.4
229.07431	3.1
231.06897	1.7
231.08923	0.4
235.06393	3.9
235.08554	0.3
237.07980	15.3
239.05788	0.6
239.09550	11.6
241.07448	2.1
242.07004	0.3
243.09016	0.9
245.10378	0.4
247.06374	1.9
249.07983	11.2
251.09544	1.0
253.07474	5.9
255.09041	19.1
256.09402	0.4
257.10654	4.8
260.09445	0.8
262.11053	0.7
265.07486	1.7
267.09039	21.0
268.09283	0.3
269.10550	0.4
271.08502	3.8
272.09549	0.3
273.10092	3.3
276.09021	0.4
278.10611	1.0
281.10345	0.3
283.08621	0.4
285.10107	7.5
290.10614	1.5
301.14639	0.3
307.15704	0.4
313.14722	0.9
331.15793	7.4
331.19748	0.4
349.16855	14.1
350.17264	0.5
367.17902	73.3
368.18259	1.7
369.18781	0.3
372.18423	1.2
385.18964	100.0
386.19327	2.6
387.20206	0.6
387.73254	0.3
390.19394	0.3
403.19989	0.9
408.20541	14.1
409.20596	0.7
695.40399	21.8
696.40918	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96509	14.4
56.96806	1.3
62.37132	0.3
69.49783	1.2
69.50204	1.4
70.06554	0.8
71.95186	1.2
72.95988	0.6
74.97548	0.5
79.05441	0.5
81.06989	1.5
81.07411	0.4
87.08357	0.3
97.96758	0.8
98.21505	0.7
98.97527	0.6
102.96989	0.4
107.04942	2.0
110.97554	0.7
115.97794	0.8
116.98560	0.6
117.14619	0.3
118.61178	0.3
121.02825	0.7
123.01196	0.5
128.98538	1.3
133.04536	0.3
133.98761	0.3
134.99576	0.6
137.02756	0.4
141.02180	0.7
143.89481	0.4
145.01625	0.4
145.06413	0.4
146.99684	2.2
155.03667	0.6
159.03264	0.5
160.00320	0.5
164.04095	0.4
165.00648	0.8
169.01720	0.5
169.05200	0.4
171.03214	1.3
173.01164	0.6
173.04787	0.6
177.04285	0.4
179.02043	0.4
181.05244	0.5
182.02415	0.4
183.03239	0.6
183.06831	0.5
185.04753	0.9
185.98309	0.4
187.02762	0.9
187.06331	0.5
189.04294	1.2
191.05884	0.6
195.06880	0.6
197.04843	0.8
199.02696	0.5
199.06346	3.0
201.04344	0.4
201.07928	0.7
202.05103	0.5
203.05873	2.7
205.07401	0.9
211.06343	1.4
211.09970	0.6
213.06107	0.4
213.07971	6.3
215.05865	0.7
216.03050	0.4
216.06697	0.6
217.07475	6.9
221.08437	1.1
223.02650	0.5
223.06297	0.4
223.08348	0.9
223.10201	0.5
225.07954	3.3
227.06004	0.7
227.09480	1.6
229.07425	1.3
231.06718	0.7
231.09016	12.8
236.09615	0.5
237.04234	0.9
237.07959	3.1
239.07336	0.5
239.09555	7.7
241.03932	0.4
241.07462	0.6
241.11093	4.8
242.08144	0.7
243.09032	5.0
245.06897	0.5
245.10703	2.3
249.07907	0.6
251.09515	4.1
253.07314	0.4
254.10571	0.5
255.09027	24.7
256.09384	0.6
257.10605	12.8
259.12173	9.5
260.09250	1.1
261.10059	1.2
267.09018	1.2
269.10596	27.5
271.12112	0.7
273.10074	23.5
274.10428	0.6
275.11624	6.6
278.10641	1.9
279.08902	0.6
280.09769	1.1
280.12384	0.4
282.13895	0.4
284.62943	0.4
285.10104	1.9
287.11636	14.6
292.12256	2.9
296.11661	1.2
297.10019	2.4
298.10764	1.3
307.15756	1.0
310.13199	0.6
313.14590	0.4
316.11810	0.7
325.16766	1.0
331.15744	4.9
349.16840	15.4
350.17032	0.4
367.17886	64.1
368.18185	1.3
372.18451	1.0
385.18951	100.0
386.19290	1.5
387.19302	0.5
390.19254	0.7
403.20306	0.7
408.20563	14.3
409.20685	0.5
471.99304	0.4
525.05243	0.4
569.51215	0.4
695.40350	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96296	0.7
56.96564	12.1
62.02080	0.4
64.22890	0.4
69.45634	0.4
70.03147	0.4
70.25700	1.9
71.95255	0.6
72.96030	0.8
79.05487	1.1
79.13011	0.4
81.07058	2.8
86.09676	0.6
91.05447	0.4
107.04956	1.9
110.97551	0.7
116.98637	0.5
128.98613	1.9
146.85431	0.4
146.99661	2.5
155.03810	0.6
157.40733	0.4
159.03293	0.7
161.01288	0.9
169.01764	0.5
171.03271	1.0
173.04881	1.0
185.04845	1.6
187.06537	0.6
189.04353	1.1
199.06438	2.0
203.05920	1.7
205.07475	0.9
211.06445	0.9
213.07994	6.3
216.06552	0.6
217.07463	3.3
223.08478	1.1
225.07921	2.5
227.05882	0.4
227.09703	0.6
229.07500	3.4
231.09041	10.9
235.06523	0.5
237.04288	0.8
237.07964	1.3
239.09561	3.2
241.11115	3.1
242.08324	0.9
243.09024	3.9
247.08565	2.7
251.09485	4.1
253.11063	0.8
255.08998	7.1
257.10590	2.9
259.12167	4.9
261.10052	0.6
269.10605	26.0
271.12231	0.8
273.10077	5.5
279.09079	1.7
280.09796	1.4
287.11624	15.7
288.12149	0.5
292.12210	1.7
297.10089	3.4
298.10739	2.3
307.16071	0.6
313.14374	0.8
315.11075	1.6
316.12186	0.6
331.15771	7.7
332.15933	0.7
349.16855	18.3
367.17914	100.0
368.18301	2.7
372.18460	1.6
385.18964	24.5
386.19266	1.2
408.20605	5.1
659.71539	0.5
695.40540	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	695.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
55.05505	0.3
56.64936	0.2
56.96564	0.2
57.03426	0.2
61.02901	0.3
65.03927	0.7
66.92215	0.2
67.05499	0.8
68.99783	0.2
69.07058	0.3
69.38331	1.6
70.06590	1.2
79.05485	1.4
80.04997	0.5
81.03419	0.3
81.07053	0.5
82.06560	0.3
84.04478	0.5
84.08134	0.6
85.02906	0.5
86.09677	0.6
90.13546	0.2
91.05476	0.9
92.05012	0.9
93.05760	1.0
93.07041	0.9
94.06558	2.8
95.04964	0.6
95.07329	0.6
95.08601	0.3
96.08115	2.5
97.02845	0.3
97.06507	0.2
98.20770	0.5
103.05504	0.2
105.07027	0.3
106.06547	13.8
107.04961	1.0
107.07360	1.7
108.04459	0.7
108.08110	4.6
110.06015	0.4
110.09679	4.0
118.02898	0.6
118.06525	0.5
120.04462	3.0
120.08096	4.5
121.06501	0.3
121.10148	0.3
122.06022	3.5
122.09592	0.2
123.06814	0.3
124.07598	1.4
126.05515	0.2
131.07300	0.3
133.06483	0.2
134.05984	0.5
136.07573	4.6
138.05495	1.1
138.09131	6.0
140.07062	1.6
146.06038	0.4
148.07565	23.3
149.08098	0.4
150.05469	2.0
150.09134	0.9
151.07535	0.5
152.03375	0.4
152.07042	1.1
154.08607	0.6
158.08052	0.4
162.05496	4.2
164.03389	0.2
164.07053	1.5
166.08627	100.0
167.09015	0.8
168.10243	0.2
171.40587	0.2
174.05458	0.4
174.09174	0.3
178.04987	10.9
180.10178	0.4
182.08269	1.1
182.09659	0.4
183.09219	0.3
184.07344	0.2
184.09937	0.3
188.03415	8.7
192.06540	3.1
194.08119	1.0
196.06033	4.6
197.06923	0.2
197.10744	0.8
199.12306	0.7
206.04480	1.6
206.08176	0.3
208.09756	0.3
209.10735	0.5
210.07581	3.0
210.09369	0.2
211.08656	0.4
211.12321	0.6
212.09378	0.3
213.10271	0.7
221.10475	0.2
222.11130	0.3
224.09341	0.4
225.10208	2.0
226.10905	0.3
227.08267	0.4
227.11765	4.7
229.13406	0.4
236.09290	0.3
237.10286	1.6
238.10960	0.7
239.08145	3.2
239.11729	1.2
240.08849	0.3
241.09653	2.4
241.13383	0.3
243.11327	0.4
245.12907	1.5
249.10254	1.1
250.11047	0.3
251.08057	1.8
251.11772	0.5
252.08896	0.5
253.09700	4.5
254.10448	0.5
255.11296	2.6
263.11734	0.6
265.09714	7.2
266.10440	1.4
267.11316	2.8
269.09332	1.1
269.12848	5.4
271.10757	1.3
271.13962	0.5
273.12296	3.0
277.09647	0.6
279.11276	1.1
281.09198	1.3
281.12640	0.4
283.10886	1.0
285.12363	3.5
287.13898	14.1
289.12241	0.3
289.15479	0.9
291.11234	0.4
293.09201	5.6
293.12430	0.2
294.10068	0.3
295.10809	2.4
296.11594	0.2
297.12271	1.9
298.10620	0.4
299.10193	2.0
301.11850	0.4
303.13287	0.6
305.14920	4.9
307.10727	1.0
309.12335	0.9
310.10718	1.2
311.10236	2.7
313.11789	5.5
313.15372	0.3
315.13382	3.9
317.11380	0.8
323.10156	0.5
323.16229	1.5
325.11783	1.0
327.13589	0.3
329.11447	0.5
329.14917	1.2
331.09119	0.5
331.12869	6.5
331.16803	0.5
332.13461	0.3
333.14407	0.9
337.11877	0.3
341.11319	2.8
343.13092	0.4
344.13818	0.5
346.15421	0.5
347.16058	2.7
349.13910	4.1
353.11261	0.7
355.13107	0.3
356.13837	0.3
357.14606	0.4
358.15543	0.8
359.12363	1.3
371.12552	0.4
372.12933	0.3
373.13828	1.3
373.17807	0.2
376.16504	0.9
377.13196	0.3
378.18295	0.4
385.13867	0.3
386.14948	0.8
388.16498	0.4
400.16513	0.7
402.18411	0.3
404.15973	3.4
406.17465	1.2
418.17419	2.0
420.19217	0.6
428.16107	0.6
434.21075	0.2
436.18491	0.6
438.19980	0.5
444.19040	0.3
445.17523	0.3
446.17029	3.5
448.18600	1.1
454.19510	0.3
460.18768	0.4
462.20407	1.6
463.18536	1.1
464.18051	5.9
465.18442	0.3
466.20117	0.2
478.19629	1.7
480.21817	5.4
488.18057	0.7
492.17749	0.3
498.18460	1.5
506.19284	4.9
510.18881	0.8
512.19800	0.3
520.20880	0.4
524.20587	1.1
530.21393	0.5
538.21838	7.9
567.22406	0.5
585.24017	1.0
601.26636	0.5
603.24451	1.2
619.27789	0.4
627.24597	1.1
645.25647	2.3
659.26373	0.4
663.26672	2.1
695.40808	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01866	0.9
55.05497	2.6
56.05029	0.8
56.96544	1.2
57.03414	0.7
60.83374	0.7
61.02914	0.7
66.92822	0.8
67.05485	2.7
67.14746	0.7
69.07069	0.8
69.40553	5.6
70.02952	0.8
70.06577	8.5
72.08132	1.3
77.87979	0.7
79.05500	3.8
80.04992	1.3
81.03394	0.8
82.06567	10.1
84.04468	2.3
84.08129	3.0
84.96049	0.9
85.02880	1.7
86.09690	9.0
89.03896	0.9
91.05462	2.5
92.04977	1.0
93.07031	3.8
94.06560	9.0
95.04945	1.6
95.07349	3.6
96.04456	2.2
96.08120	11.4
97.02895	0.8
97.06501	1.7
98.97575	1.0
100.07590	0.9
100.11219	2.5
102.05617	0.9
103.05445	1.0
107.04949	8.4
108.05260	1.0
108.08102	9.0
109.02831	0.7
109.08904	1.0
110.06019	2.2
110.07169	1.1
110.09675	17.0
112.07568	2.1
112.69622	0.9
116.04960	5.8
116.91322	0.7
119.04907	0.8
120.04436	2.7
120.08100	18.4
121.02821	2.2
122.06014	22.3
122.09616	0.8
124.07582	9.7
126.05500	1.4
127.03942	1.1
128.06197	1.4
128.07063	15.4
129.10214	0.9
131.04916	1.1
134.06026	4.2
136.07562	33.9
137.05989	0.8
138.05493	1.7
138.09125	26.7
140.07065	13.1
144.04440	12.0
146.05981	7.3
146.09599	0.8
148.07576	4.9
149.07458	0.8
150.05469	1.1
150.09189	1.0
152.07092	4.5
158.08110	10.4
160.03911	5.7
160.07515	0.8
162.05490	5.6
164.07053	42.9
166.04961	2.2
166.07173	1.0
166.08624	36.4
172.03918	64.1
173.04318	1.4
174.05611	1.2
178.05023	1.8
182.08116	29.9
190.04980	21.5
192.06627	1.3
198.09074	1.0
204.06541	100.0
205.06859	1.5
210.14955	1.8
212.09338	0.9
213.00745	1.0
213.10246	1.4
214.08589	1.1
215.08121	1.0
215.11671	1.0
224.09468	1.6
225.08220	1.0
225.10257	3.0
226.14360	0.8
227.06900	1.0
227.11691	2.1
231.01793	1.1
236.09267	1.7
237.10243	6.1
238.10915	1.2
239.08281	1.3
239.11757	1.6
239.13986	1.8
241.09752	2.1
243.11205	6.0
247.14400	1.5
249.10243	0.9
251.08047	1.3
251.11732	3.6
252.08954	2.0
253.09752	5.0
255.06490	5.5
255.11263	2.6
256.09219	0.8
257.12753	1.3
259.10742	5.1
260.11020	3.2
265.09686	8.0
267.11276	2.5
269.08957	0.9
271.10760	1.6
273.12277	3.4
278.06610	2.5
279.11194	4.5
280.08408	1.1
281.09305	1.6
281.12891	1.7
283.10803	3.3
285.09839	0.6
285.12354	9.2
287.10153	1.8
292.08136	1.5
293.09158	5.3
294.09750	0.8
295.10742	1.6
297.12311	7.0
298.09131	1.0
299.10324	2.2
299.13882	5.8
301.11761	4.8
302.12183	3.5
303.13373	17.9
307.10745	2.0
309.12048	1.3
311.10089	4.4
312.10898	1.0
313.11719	5.8
315.13315	1.3
319.12854	6.1
320.13162	4.8
321.08731	1.2
321.14044	5.6
323.10208	2.0
325.11789	26.8
326.12500	0.8
327.13550	1.1
329.14938	1.2
335.10199	3.3
338.14319	1.2
339.09750	3.9
339.13724	1.5
341.11169	9.2
341.14371	0.9
343.12897	9.1
353.11194	5.6
355.12671	1.5
357.14435	24.4
358.15222	1.4
371.12177	4.2
373.13882	11.5
385.13956	1.4
401.39255	0.8
418.17279	1.0
436.18604	0.8
462.16418	1.3
464.18115	1.1
465.19122	1.3
474.16617	3.1
476.18085	1.5
478.19608	3.0
480.17529	1.4
488.17905	3.1
489.23691	0.8
494.19284	2.4
498.18643	2.7
503.08575	0.9
503.52786	0.8
506.19205	43.4
507.19656	1.6
508.20618	1.3
510.22174	1.4
512.20184	3.2
520.21014	1.3
524.19958	3.5
526.94086	0.9
530.20978	2.9
538.21747	14.8
583.25537	0.9
599.24707	1.2
609.23517	1.0
627.24194	9.0
641.25818	1.6
645.25391	2.3
659.26862	2.9
663.26666	1.5
677.27234	3.8
695.50293	2.7
696.27142	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21685	0.8
53.03941	2.1
55.05499	2.6
56.05000	0.9
56.96559	2.5
59.82849	0.8
61.02908	0.8
65.03951	1.2
67.05489	2.5
70.06584	6.6
71.60133	1.6
72.08146	2.0
73.92730	0.8
79.05476	2.4
80.05031	1.1
81.03432	1.1
81.07055	1.8
82.06578	6.4
84.08138	2.4
84.96027	1.0
86.09708	6.4
87.04472	1.1
89.03899	1.3
89.06006	4.0
91.05454	2.0
93.05759	1.5
93.07040	6.1
94.06562	11.5
94.47643	1.2
95.04969	1.9
95.07343	4.6
96.04457	2.1
96.08127	14.0
97.02886	1.2
97.06537	2.2
98.06054	1.3
100.11215	1.5
103.05429	1.1
106.06554	2.1
107.04958	9.8
108.08116	11.8
109.08868	1.1
109.83945	0.8
110.06011	3.5
110.09679	20.4
112.07571	2.5
116.04983	5.4
120.04456	3.4
120.07250	0.9
120.08105	20.8
121.02869	5.6
122.06023	22.8
122.09677	1.6
124.07573	13.3
127.03830	1.0
128.07079	5.5
129.10194	1.1
133.08594	2.8
134.05972	3.9
136.07573	37.2
138.05510	2.2
138.09131	36.7
140.07050	12.8
144.04442	11.1
146.06003	8.2
148.07550	5.9
150.05510	1.5
150.09210	1.0
150.99069	1.6
152.07053	4.0
158.08101	12.1
160.03946	5.9
161.01193	1.3
162.05463	6.9
164.07062	48.5
166.04994	2.7
166.08636	49.6
172.03925	74.1
173.04274	1.7
174.05553	1.9
174.09039	1.6
178.05011	1.7
182.06592	2.0
182.08128	33.0
182.09737	1.8
182.15385	1.2
185.10838	0.9
186.09186	1.2
190.04987	23.4
192.06548	1.0
194.08109	0.9
194.51323	0.9
196.09894	1.0
197.06747	1.0
198.09163	1.4
204.06548	100.0
205.06866	1.9
206.08060	1.2
209.10703	1.4
211.12383	1.0
213.00717	3.6
213.10226	2.1
214.08653	1.0
215.11824	1.7
220.09698	1.4
222.07623	1.2
223.08664	1.2
223.12291	1.5
224.09312	1.2
225.10222	3.3
227.02284	1.3
227.11772	3.0
228.09869	1.2
229.09793	1.3
231.01791	3.1
236.09428	1.9
237.10191	8.6
238.10956	1.4
239.08167	1.6
239.11751	3.0
239.13930	1.1
240.08867	1.4
241.09653	2.8
243.11276	7.0
247.14418	2.0
249.10333	1.7
251.08113	2.2
251.11739	5.7
253.09743	4.5
255.01790	1.7
255.06587	2.1
255.11182	3.7
259.10785	9.2
260.11011	5.3
261.11310	2.0
263.11801	1.2
264.09164	1.0
265.09698	10.0
266.10416	2.4
267.11386	4.7
269.09305	1.5
269.12741	1.9
271.10596	2.1
273.12347	5.4
278.06595	1.8
279.08322	1.1
279.11218	6.5
281.09213	1.6
281.12811	1.8
283.07932	1.1
283.10828	4.3
285.12350	13.9
287.10245	2.2
293.09207	11.7
294.09842	1.9
295.10715	2.6
296.24271	1.0
297.12360	10.3
298.09549	1.5
299.10263	3.3
299.13913	5.9
301.11850	6.9
302.12262	5.2
303.13300	18.0
307.10727	2.9
309.12146	1.6
311.10269	6.9
312.11066	2.2
313.11783	7.7
315.13254	1.6
319.12875	7.9
320.13232	8.0
321.13864	7.4
323.10233	5.0
325.11838	37.1
327.13031	1.1
329.15027	1.0
335.10135	3.8
338.14325	2.6
339.04037	1.2
339.09705	3.3
339.13611	1.0
341.11349	14.8
343.12823	10.7
353.11377	7.6
357.14462	23.5
358.15118	1.4
371.12384	4.4
373.13922	18.8
385.13782	3.4
386.14948	1.2
397.04166	2.5
415.05362	2.8
415.15216	1.7
418.17401	2.0
460.18683	1.5
462.16159	1.8
465.18839	2.4
474.16519	4.0
476.18094	1.2
478.19666	2.8
480.17212	2.0
488.17981	3.6
494.19000	2.4
498.18500	3.2
503.08572	3.6
506.19229	60.3
508.20737	2.6
510.22385	2.8
512.20026	2.7
520.20654	1.3
524.20020	4.1
526.02820	1.2
530.21173	3.2
538.21899	19.8
609.23438	1.1
627.24640	10.0
641.25873	2.0
645.25702	2.1
659.26819	2.4
663.25769	2.1
677.27686	2.7
709.53314	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21685	0.8
53.03941	2.1
55.05499	2.6
56.05000	0.9
56.96559	2.5
59.82849	0.8
61.02908	0.8
65.03951	1.2
67.05489	2.5
70.06584	6.6
71.60133	1.6
72.08146	2.0
73.92730	0.8
79.05476	2.4
80.05031	1.1
81.03432	1.1
81.07055	1.8
82.06578	6.4
84.08138	2.4
84.96027	1.0
86.09708	6.4
87.04472	1.1
89.03899	1.3
89.06006	4.0
91.05454	2.0
93.05759	1.5
93.07040	6.1
94.06562	11.5
94.47643	1.2
95.04969	1.9
95.07343	4.6
96.04457	2.1
96.08127	14.0
97.02886	1.2
97.06537	2.2
98.06054	1.3
100.11215	1.5
103.05429	1.1
106.06554	2.1
107.04958	9.8
108.08116	11.8
109.08868	1.1
109.83945	0.8
110.06011	3.5
110.09679	20.4
112.07571	2.5
116.04983	5.4
120.04456	3.4
120.07250	0.9
120.08105	20.8
121.02869	5.6
122.06023	22.8
122.09677	1.6
124.07573	13.3
127.03830	1.0
128.07079	5.5
129.10194	1.1
133.08594	2.8
134.05972	3.9
136.07573	37.2
138.05510	2.2
138.09131	36.7
140.07050	12.8
144.04442	11.1
146.06003	8.2
148.07550	5.9
150.05510	1.5
150.09210	1.0
150.99069	1.6
152.07053	4.0
158.08101	12.1
160.03946	5.9
161.01193	1.3
162.05463	6.9
164.07062	48.5
166.04994	2.7
166.08636	49.6
172.03925	74.1
173.04274	1.7
174.05553	1.9
174.09039	1.6
178.05011	1.7
182.06592	2.0
182.08128	33.0
182.09737	1.8
182.15385	1.2
185.10838	0.9
186.09186	1.2
190.04987	23.4
192.06548	1.0
194.08109	0.9
194.51323	0.9
196.09894	1.0
197.06747	1.0
198.09163	1.4
204.06548	100.0
205.06866	1.9
206.08060	1.2
209.10703	1.4
211.12383	1.0
213.00717	3.6
213.10226	2.1
214.08653	1.0
215.11824	1.7
220.09698	1.4
222.07623	1.2
223.08664	1.2
223.12291	1.5
224.09312	1.2
225.10222	3.3
227.02284	1.3
227.11772	3.0
228.09869	1.2
229.09793	1.3
231.01791	3.1
236.09428	1.9
237.10191	8.6
238.10956	1.4
239.08167	1.6
239.11751	3.0
239.13930	1.1
240.08867	1.4
241.09653	2.8
243.11276	7.0
247.14418	2.0
249.10333	1.7
251.08113	2.2
251.11739	5.7
253.09743	4.5
255.01790	1.7
255.06587	2.1
255.11182	3.7
259.10785	9.2
260.11011	5.3
261.11310	2.0
263.11801	1.2
264.09164	1.0
265.09698	10.0
266.10416	2.4
267.11386	4.7
269.09305	1.5
269.12741	1.9
271.10596	2.1
273.12347	5.4
278.06595	1.8
279.08322	1.1
279.11218	6.5
281.09213	1.6
281.12811	1.8
283.07932	1.1
283.10828	4.3
285.12350	13.9
287.10245	2.2
293.09207	11.7
294.09842	1.9
295.10715	2.6
296.24271	1.0
297.12360	10.3
298.09549	1.5
299.10263	3.3
299.13913	5.9
301.11850	6.9
302.12262	5.2
303.13300	18.0
307.10727	2.9
309.12146	1.6
311.10269	6.9
312.11066	2.2
313.11783	7.7
315.13254	1.6
319.12875	7.9
320.13232	8.0
321.13864	7.4
323.10233	5.0
325.11838	37.1
327.13031	1.1
329.15027	1.0
335.10135	3.8
338.14325	2.6
339.04037	1.2
339.09705	3.3
339.13611	1.0
341.11349	14.8
343.12823	10.7
353.11377	7.6
357.14462	23.5
358.15118	1.4
371.12384	4.4
373.13922	18.8
385.13782	3.4
386.14948	1.2
397.04166	2.5
415.05362	2.8
415.15216	1.7
418.17401	2.0
460.18683	1.5
462.16159	1.8
465.18839	2.4
474.16519	4.0
476.18094	1.2
478.19666	2.8
480.17212	2.0
488.17981	3.6
494.19000	2.4
498.18500	3.2
503.08572	3.6
506.19229	60.3
508.20737	2.6
510.22385	2.8
512.20026	2.7
520.20654	1.3
524.20020	4.1
526.02820	1.2
530.21173	3.2
538.21899	19.8
609.23438	1.1
627.24640	10.0
641.25873	2.0
645.25702	2.1
659.26819	2.4
663.25769	2.1
677.27686	2.7
709.53314	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	11.2
57.03436	5.6
57.07084	3.9
61.02932	27.2
66.24725	2.2
67.05172	4.3
67.05509	57.2
69.03425	3.4
69.07069	13.3
70.30746	7.0
70.31132	4.7
71.05009	2.9
73.02916	12.6
79.05499	36.3
81.03443	2.8
81.07058	77.4
83.08611	4.5
84.57010	2.1
85.02907	36.4
86.39881	2.0
91.03963	25.5
91.05471	16.9
93.07050	52.2
95.04974	4.0
95.08613	48.5
97.02893	17.9
97.06504	2.8
97.10107	2.7
99.04463	2.2
99.08113	2.4
105.07049	14.7
107.08600	30.8
109.10160	32.4
117.07051	10.4
119.08611	12.5
120.41355	2.4
121.10148	27.0
123.11727	13.7
127.03914	15.4
131.08594	18.5
133.10124	12.3
135.11711	26.0
137.09688	3.6
137.13274	7.3
145.04977	17.2
145.10071	14.3
147.11725	11.1
149.13257	19.7
159.11717	16.3
161.13251	12.3
163.06029	21.8
163.14813	14.9
165.12706	4.0
173.13275	14.7
175.14873	3.3
177.16451	9.1
179.14340	2.7
187.14845	7.6
201.16302	3.6
201.41324	2.1
243.21082	35.3
261.22144	100.0
262.22513	4.9
285.69296	2.4
335.25824	17.8
336.26169	2.6
353.26892	50.3
372.10239	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	695.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.6
55.01871	2.5
56.09135	1.8
56.96560	6.7
67.05498	4.7
69.03416	6.3
70.06246	1.9
70.06595	23.0
70.73492	4.5
71.04984	2.3
72.08141	4.6
78.01175	1.7
79.05016	1.8
79.05473	8.1
80.04977	2.6
81.03394	5.5
81.07061	2.3
82.06562	2.7
84.04498	10.5
84.08128	5.1
85.02905	10.8
85.74883	1.8
86.06070	2.0
86.09697	8.4
87.00811	2.8
87.04420	2.6
87.05595	3.2
89.06017	2.1
91.05479	7.9
92.05011	3.0
93.07027	10.5
94.06558	15.7
95.04947	3.1
95.07349	7.3
95.08620	2.3
96.04469	4.7
96.08133	23.0
97.02895	7.4
97.06522	2.2
98.97589	5.6
103.05432	1.8
105.01795	2.2
106.06536	7.2
107.04956	25.4
108.08105	22.4
109.02871	5.2
110.06018	4.7
110.09675	29.1
112.07609	2.6
116.04992	7.1
116.98615	6.4
119.08575	2.1
120.04480	3.5
120.08102	35.0
121.02867	11.9
121.06412	2.8
122.06023	21.7
122.09651	4.0
123.06836	2.3
124.07593	21.2
126.05527	14.7
126.06319	2.7
127.03899	7.0
129.10283	2.9
130.06508	2.5
134.06050	3.4
134.99594	3.4
136.07574	48.3
137.02341	3.4
137.05963	30.9
137.09540	1.8
138.05457	7.7
138.09128	64.8
140.07040	15.7
144.04477	12.2
146.05992	7.6
146.09778	1.9
148.07581	11.4
149.07503	2.1
150.09145	4.8
152.07079	16.6
157.06409	2.4
158.05983	4.0
158.08044	9.5
160.03894	5.3
162.05493	9.2
164.07057	59.5
166.08635	70.1
168.06567	2.9
172.03925	77.2
174.05458	3.6
174.09077	4.8
175.08636	4.6
177.00635	2.3
178.04906	4.0
182.08128	50.0
183.02943	2.3
189.05495	2.3
190.04962	27.4
192.10132	4.7
197.01199	4.2
198.09209	3.5
200.07047	8.0
204.06558	100.0
204.08485	5.2
209.10796	2.6
210.99257	4.1
211.08511	3.0
211.12254	2.3
213.05463	2.4
213.10196	3.5
218.08122	8.2
220.09703	3.5
221.09108	2.9
223.12360	1.8
225.00764	2.4
225.10214	2.9
227.11826	3.5
231.37628	1.8
236.09303	3.2
237.10231	14.0
238.11002	5.3
239.08063	3.3
239.11774	6.3
241.09647	5.5
243.11256	8.4
245.04649	1.9
246.07610	6.0
249.10188	6.3
250.10887	7.1
251.08069	5.5
251.11748	7.0
253.09608	6.5
254.10359	1.8
255.06546	6.8
255.11252	6.7
261.12445	2.6
263.11871	3.3
264.08875	5.8
264.12283	2.3
265.09674	16.7
265.13263	4.0
266.10583	2.6
267.08276	2.3
267.11282	6.7
269.09241	3.4
269.12775	4.7
271.10538	3.6
272.12793	8.3
273.12564	5.6
277.09644	4.2
279.11240	14.9
280.12988	18.6
281.09158	4.5
281.12659	2.3
283.10641	6.5
285.12274	15.3
287.10217	6.8
287.13754	3.3
291.11279	4.6
293.09164	10.2
293.12375	2.9
295.10663	6.0
297.12274	17.9
299.10281	8.9
299.13620	3.9
303.13409	19.2
307.10721	4.6
309.12286	13.1
310.12933	2.0
311.10242	16.4
311.13614	4.1
312.11096	3.5
312.84665	2.1
313.11719	11.8
315.01633	6.3
315.04898	33.6
316.05374	4.6
319.10239	2.7
321.14478	2.2
323.10263	22.5
324.10687	4.7
325.11832	35.3
326.12103	2.1
328.08521	7.7
333.02771	10.2
335.10364	4.0
337.11664	12.6
339.09695	12.4
339.13211	3.2
341.11270	21.4
343.12903	14.9
346.09586	2.8
353.11212	5.7
354.05963	3.4
356.13416	2.7
357.14392	19.9
359.12234	3.6
369.14520	10.5
371.12265	6.7
371.16177	3.9
373.14008	14.9
389.01831	25.5
390.01984	4.0
391.04892	2.2
395.03012	3.0
402.14166	2.6
407.02893	15.8
409.09201	47.0
410.09363	7.6
447.03403	9.8
448.10165	7.4
452.17795	2.7
462.15869	2.7
465.04895	4.7
465.18713	3.4
474.16006	3.0
478.19418	8.5
480.21765	4.4
483.05991	86.1
483.20584	6.9
484.06577	7.5
488.17987	5.2
492.17511	5.9
494.19366	13.1
495.19824	3.7
498.18582	3.5
501.07034	47.5
502.07047	3.8
506.07419	5.8
506.19214	70.1
508.20786	17.6
510.22269	3.3
512.20636	4.1
520.21075	9.0
524.20148	7.3
525.07202	9.3
526.21613	2.8
530.21216	4.2
538.21790	27.5
544.11609	8.2
561.07397	2.8
576.12964	3.3
581.23871	6.9
589.24854	3.3
599.25153	3.7
609.09064	25.3
613.25928	5.6
627.09961	7.8
627.24500	10.9
631.27197	7.5
633.09332	10.6
645.24799	5.1
650.11359	3.2
651.10693	4.2
659.26672	3.3
663.26196	6.5
684.54944	2.0
695.09863	20.5
701.19562	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	694.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.9
54.79509	2.3
54.79791	2.4
55.05503	12.2
57.03424	8.7
57.07057	5.4
57.69411	2.5
58.61403	2.2
61.02922	34.0
67.05500	74.7
69.03414	4.7
69.07060	11.2
70.08871	11.7
73.02913	13.9
79.05485	42.4
80.79648	2.3
81.06577	5.2
81.07050	83.0
83.08604	6.6
85.02901	37.0
85.06553	5.0
91.03485	2.9
91.03958	31.3
91.05482	18.8
93.06474	4.1
93.07038	51.0
95.04926	3.2
95.08605	63.7
97.02882	17.6
97.06514	5.0
97.10162	3.5
99.04443	3.3
99.08100	3.6
105.07024	14.6
107.08594	34.6
109.02869	3.9
109.06569	2.9
109.10149	28.7
117.07018	7.5
119.08578	14.1
121.10136	40.6
123.11694	19.7
127.03906	14.4
131.08551	20.7
133.10141	12.5
135.11684	30.6
137.13239	6.0
145.04955	15.9
145.10103	14.5
147.11679	9.5
149.13242	23.5
153.11809	2.4
159.11685	11.8
161.13258	10.3
163.06020	20.6
163.14841	16.8
165.12656	3.4
173.13203	16.5
175.14824	3.7
177.16371	6.0
187.14828	10.4
194.90300	3.1
201.16365	4.6
233.22632	3.7
235.46075	2.4
243.21051	36.5
261.22119	100.0
262.22623	3.3
279.23111	6.0
298.97900	2.5
335.25760	28.7
353.26843	48.9
383.52335	2.9
497.30673	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	694.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.0
55.01870	3.8
55.05510	26.9
56.96553	2.9
57.03436	6.3
57.07076	19.3
59.04982	1.8
61.02901	1.4
65.03927	2.1
67.05503	33.4
69.03433	6.9
69.07065	100.0
70.06577	2.0
70.07848	3.2
70.35817	4.0
71.04996	9.9
73.02904	1.5
78.75437	1.2
79.05491	28.6
81.03417	11.1
81.06574	1.9
81.07052	38.0
83.04986	5.2
83.08616	15.0
85.02893	2.9
85.06525	6.5
86.09695	3.4
87.04475	1.5
89.06033	1.3
91.03946	1.3
91.05475	19.6
91.06004	1.8
92.54933	1.2
93.07040	26.2
94.04186	1.4
95.04966	16.1
95.08609	15.3
97.02882	1.8
97.06521	15.5
97.10166	21.9
98.03550	3.7
99.00005	2.3
99.08126	1.0
105.07024	16.2
106.07359	1.1
107.04953	10.6
107.08582	15.3
109.06500	12.2
109.10118	5.3
111.04465	2.5
111.08083	4.0
113.06005	16.5
115.07558	23.0
117.07022	8.0
119.08562	10.8
121.06493	7.1
121.10120	8.1
123.04421	1.4
123.08052	10.0
123.11677	1.6
125.09622	21.2
126.99455	7.7
127.03897	1.8
128.06248	2.0
129.01027	12.7
129.06985	2.5
131.08575	7.3
133.06540	3.1
133.08496	1.1
133.10135	6.9
135.08023	6.7
135.11696	6.9
137.09659	2.2
139.07529	1.1
139.11183	1.6
141.01021	15.9
143.08589	3.4
144.04066	3.8
145.06471	2.7
145.10114	6.2
147.08064	2.7
147.11699	4.7
149.09637	4.6
149.13271	4.2
153.09131	2.6
155.02611	6.7
157.10129	2.0
159.11700	6.5
161.09613	3.5
161.13280	2.3
163.11200	3.0
165.09163	3.7
169.10057	1.9
171.11693	2.5
173.09676	1.2
173.13211	1.4
175.11223	1.5
177.12782	4.8
184.07307	2.3
185.13287	1.9
187.11154	2.1
189.11205	21.6
190.09798	1.1
193.12390	2.0
195.13812	4.4
196.10797	1.4
197.07266	41.1
203.14384	1.5
205.12219	2.3
213.14825	1.9
217.15891	2.7
221.15334	15.8
223.13269	13.0
225.06773	4.6
227.12784	1.8
235.16908	1.5
240.09834	6.8
241.14442	1.4
255.09045	1.3
255.17303	1.5
263.20221	1.2
267.15936	2.0
269.17487	2.0
273.18423	9.7
280.13477	1.2
283.15393	1.8
286.04630	1.2
291.19525	41.9
309.20645	3.0
322.09390	2.6
324.32547	1.3
349.16983	2.7
350.17346	1.9
355.70840	1.1
365.16455	2.9
366.16830	2.0
367.17978	4.6
368.10068	68.4
368.18073	3.9
386.19290	1.8
401.72220	1.1
434.22980	3.1
452.23859	4.5
461.28793	3.8
464.15759	1.8
465.28500	2.1
511.65002	1.2
585.21289	1.4
658.28918	2.0
676.29822	16.6
693.87299	1.9
694.30878	51.8
694.40167	2.2
711.65875	1.3
721.64362	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96510	0.3
53.88831	0.3
55.01872	0.3
67.05496	1.0
69.07052	0.5
71.59894	0.5
79.05486	0.6
81.03425	0.4
81.07054	0.6
89.06037	0.5
91.05492	0.5
93.07031	0.4
105.07003	1.1
107.04939	0.3
109.10178	0.4
120.24207	0.3
162.83519	0.3
187.86838	0.3
218.16896	0.3
219.66766	0.3
262.97382	0.3
320.10187	0.4
347.18765	0.3
683.80176	0.3
693.33899	100.0
694.34204	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	693.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	0.5
65.60398	0.3
67.05470	0.3
69.56005	2.0
70.06553	0.3
79.05483	0.6
79.92618	0.3
83.99906	0.3
86.55528	0.3
89.03889	0.4
91.05439	0.5
94.06536	1.3
95.04964	0.3
95.07320	0.8
96.08096	1.5
97.06486	1.1
99.79087	0.3
106.06547	0.3
108.04508	0.7
108.08116	1.4
110.06020	1.6
110.09666	1.8
116.04974	2.1
120.08070	1.3
122.06013	4.3
124.07578	2.9
134.06000	0.7
136.07556	2.1
138.05545	0.4
138.09126	2.2
144.04420	3.6
146.05975	0.7
148.07542	0.7
149.07022	0.8
150.05504	1.9
152.07079	2.2
158.09657	0.7
160.03934	0.7
160.07582	1.4
160.09917	0.5
162.05525	2.2
163.52541	0.3
164.07089	0.6
166.00426	0.3
166.08627	3.0
170.09644	0.9
171.08121	0.4
172.03917	19.8
172.07594	0.6
173.08372	0.7
173.10765	0.5
174.09154	0.6
175.08701	0.8
175.12260	1.1
176.07056	0.4
182.09575	0.3
185.08347	0.5
186.09129	5.3
187.08676	1.1
188.07077	0.4
188.09384	1.1
189.10246	0.7
190.04977	2.7
196.07578	0.8
198.09149	0.9
199.12263	0.5
200.07135	0.6
200.10701	1.4
201.10191	1.4
202.08856	0.6
202.10979	3.3
203.08173	0.5
203.11766	6.9
204.06535	27.0
210.09109	0.4
212.07133	0.3
212.09045	0.4
212.10832	0.5
213.10219	2.4
214.08606	11.6
214.10675	0.6
215.08131	5.1
216.08664	0.5
217.09679	1.1
227.07996	0.5
227.11783	1.3
228.10188	4.7
229.09653	2.7
229.13260	0.5
230.08365	0.3
230.10464	1.4
231.11276	6.0
238.08572	0.3
240.08797	0.6
241.09738	2.7
242.08095	2.6
245.09149	1.2
245.12897	0.9
247.10732	1.5
251.11861	0.4
255.11244	5.4
256.09595	3.9
257.09274	0.7
257.12848	1.7
258.10168	0.4
259.10751	88.5
260.11093	1.8
271.10574	0.3
272.11664	0.5
273.12311	7.0
275.10132	0.4
279.11285	0.5
283.10693	3.5
284.09167	0.4
297.12256	0.7
301.11801	66.3
302.12143	1.3
319.12848	100.0
320.13232	2.0
325.11786	4.6
335.12494	0.5
337.13904	20.7
338.14105	0.4
343.12946	0.8
357.14478	2.4
486.16663	0.9
504.17929	0.6
510.18475	0.6
522.18909	0.4
536.20190	0.5
629.25818	0.4
647.27026	0.8
657.25323	1.3
675.26526	7.9
676.26874	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84073	0.9
53.03934	2.6
55.01863	8.9
55.05507	34.6
57.03427	21.5
57.07055	2.2
59.04990	4.2
61.02923	9.6
64.84922	0.8
65.03913	3.5
67.05499	100.0
69.03424	4.9
69.07064	17.1
71.01343	1.5
71.04988	5.9
71.05338	1.2
71.05774	2.0
73.02908	5.9
79.05488	40.3
81.03411	13.5
81.07049	71.8
83.04963	10.9
83.08140	1.2
83.08613	20.3
85.02422	1.4
85.02897	18.4
85.06558	5.1
87.04470	5.2
91.03940	2.8
91.05476	29.3
93.07037	39.1
95.04962	9.4
95.08598	23.4
97.02879	7.0
97.06530	11.2
97.10165	15.8
99.04424	1.5
99.08055	2.7
103.03928	2.1
105.07030	12.6
107.04933	5.7
107.08583	26.4
109.06486	3.6
109.10146	51.7
111.04456	1.5
111.08063	8.0
113.06015	1.4
117.07011	9.4
119.08569	10.8
121.06464	2.7
121.10130	11.7
121.23454	0.8
123.08028	2.8
123.11722	4.5
125.09618	16.6
127.03889	1.0
129.05499	6.1
129.06966	2.6
131.08566	9.1
133.10123	14.2
135.08026	3.0
135.11676	11.3
137.09604	3.9
139.07584	1.0
142.07742	1.0
143.08546	1.2
143.10645	4.4
145.04962	1.0
145.10146	4.7
147.08022	2.0
147.11674	4.7
149.09596	2.0
149.13258	12.1
151.11217	1.3
153.12738	2.9
155.10649	3.2
157.10126	1.7
159.11687	7.5
159.50798	0.8
163.11186	10.3
165.12711	2.4
167.14270	1.1
173.09601	2.1
173.11720	17.8
175.11142	1.6
177.12746	3.8
179.14169	1.0
181.12173	2.5
185.11679	1.3
189.11150	1.0
191.10663	3.8
193.12219	6.1
195.13792	14.2
199.13274	7.7
209.11691	8.3
211.13263	3.1
213.14790	2.1
227.12747	10.5
229.14333	49.6
239.16414	3.1
257.13919	1.3
265.14319	1.3
267.15860	9.7
269.17450	62.4
283.15503	5.5
285.16815	1.0
301.16400	17.7
313.16693	1.4
323.18546	1.4
393.26431	2.0
411.27362	7.3
422.26779	1.3
423.27396	32.7
431.28122	1.4
449.28802	1.3
450.13828	0.9
477.28320	2.5
495.29532	60.9
513.30554	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.5
55.01865	7.6
55.05261	2.4
55.05507	35.3
55.08534	1.3
57.03425	19.0
57.07064	2.1
59.04979	4.6
61.02935	6.5
63.77293	1.2
65.03928	4.4
66.96613	1.3
67.05499	100.0
68.21091	1.4
69.03426	4.7
69.07063	19.2
69.52874	1.3
69.87542	3.0
69.87971	5.6
71.01353	1.4
71.04981	4.9
73.02908	7.3
79.05056	2.3
79.05488	39.9
79.05952	2.0
79.54234	1.3
80.05830	1.2
81.03407	12.9
81.07050	72.7
83.04974	11.4
83.08614	23.3
85.02897	16.8
85.06522	3.6
87.04449	5.0
91.03928	4.0
91.05471	30.3
93.06462	2.8
93.07039	42.6
95.04946	8.5
95.08602	22.2
97.02884	6.8
97.06534	11.3
97.10159	14.0
98.20739	2.7
99.08075	1.5
105.07032	12.6
107.04923	4.1
107.08585	33.8
109.06496	3.8
109.10146	53.2
111.04440	1.7
111.08067	8.8
115.05374	1.7
117.06997	9.1
119.08586	8.9
121.06482	4.5
121.10147	15.1
123.08068	1.3
123.11702	4.9
125.09618	12.6
127.03923	2.0
129.05469	7.1
129.06982	2.0
131.08568	10.1
131.49055	1.3
133.10124	17.4
135.08066	2.7
135.11659	11.1
137.09593	3.7
143.07072	1.5
143.10635	1.5
145.04968	1.5
145.10126	4.5
147.11745	2.7
149.09578	2.0
149.13245	14.8
151.11121	2.2
153.12718	3.7
155.08600	1.4
155.10646	3.1
159.11691	9.4
163.11166	8.1
165.12787	2.1
173.09554	3.2
173.11734	14.6
177.12729	3.8
181.12199	3.1
185.11708	1.6
191.10716	4.2
193.12279	3.8
195.13783	17.4
198.98787	1.4
199.13246	7.7
209.11649	6.7
211.13377	2.2
213.14714	3.2
227.12726	10.8
229.14326	45.9
239.16438	2.6
257.13788	5.0
260.93353	1.4
267.15927	6.3
269.17453	70.1
283.15259	5.9
297.17059	1.9
301.16455	14.5
357.23935	1.5
393.26242	2.7
411.27390	6.9
423.27393	41.5
454.36096	1.9
477.28238	2.7
495.29483	62.6
513.30640	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	1.2
53.03942	5.1
55.01859	6.4
55.05507	35.1
56.38274	1.3
57.03149	1.3
57.03425	22.2
57.07065	3.5
59.04993	5.6
60.42826	1.2
61.02914	7.4
63.32127	1.1
65.03933	3.7
67.05500	100.0
69.03419	6.3
69.07063	21.9
70.06544	1.5
70.73574	2.7
70.73904	1.6
71.01360	2.3
71.04997	7.1
73.02905	5.5
79.05486	48.5
80.05815	1.6
81.03415	15.9
81.07050	78.3
81.72929	1.2
83.04981	10.5
83.08141	1.6
83.08616	22.8
85.02895	19.1
85.06536	6.5
87.04459	4.8
89.06039	3.3
91.03959	4.6
91.05479	36.2
93.07038	51.0
94.07359	1.6
95.04955	11.9
95.08598	26.8
97.02885	8.1
97.06533	13.2
97.10162	16.5
99.04451	1.8
99.08080	2.2
103.03929	1.5
105.07028	18.9
107.04935	8.7
107.08583	31.4
107.09286	2.1
108.08906	1.2
109.02888	1.4
109.06529	5.8
109.10147	60.9
111.04449	2.4
111.08105	7.2
113.06018	1.9
117.07004	8.9
119.08577	12.4
121.06491	4.6
121.10141	13.4
123.08066	2.9
123.11701	3.9
125.09612	13.4
129.05482	4.2
129.06987	2.7
131.08571	13.6
133.08589	1.4
133.10121	15.5
135.08054	3.6
135.11678	11.1
137.09608	3.2
143.08540	1.7
143.10664	3.0
145.10072	6.7
147.08017	1.9
147.11647	7.9
149.09605	3.4
149.13242	13.2
151.11232	1.5
153.12735	3.2
155.08412	1.2
155.10622	3.0
157.10086	2.2
159.11719	9.6
163.11159	10.1
165.12793	2.7
167.14397	1.3
173.11742	18.7
175.11174	1.8
177.11302	1.5
177.12643	6.2
179.14122	1.6
181.12207	3.3
184.07346	1.7
191.10657	2.2
193.12244	4.8
195.13814	18.1
199.13278	6.2
209.11635	6.7
211.13289	2.1
213.14844	2.9
217.14296	1.3
227.12720	7.4
229.14343	57.1
238.03729	1.4
257.13760	2.0
267.15836	9.5
269.17462	69.4
275.20016	1.6
283.15332	5.8
301.16428	17.7
357.24551	1.2
393.26624	2.1
411.27322	6.1
423.21695	2.2
423.27402	39.8
431.27820	1.6
463.30527	3.8
477.28516	1.5
494.02124	1.3
495.29413	44.8
513.30505	17.1
692.40375	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	692.267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
55.05495	1.7
56.05018	1.5
57.03416	1.7
59.04985	1.7
61.02916	1.1
67.05499	5.8
69.03407	1.6
69.07057	1.6
70.06593	7.6
70.11687	4.6
71.04973	0.9
72.08142	1.2
73.02883	1.2
76.02225	0.9
77.26984	1.0
79.05475	3.9
80.05025	1.2
81.03402	4.9
81.07043	3.3
83.04977	0.9
83.08556	1.0
84.04491	1.5
84.08122	2.8
85.02882	4.0
86.09687	4.7
87.04473	1.5
87.05570	1.0
89.05970	1.5
91.05483	4.6
93.05749	1.4
93.07030	4.4
94.06546	2.9
95.04939	3.2
95.08604	1.6
96.08102	3.7
97.02859	1.4
97.06527	1.5
97.10119	1.1
105.07005	5.0
107.04277	1.9
107.04945	21.4
107.08654	1.0
108.08105	13.9
109.10164	1.2
110.09641	4.7
119.08566	1.8
120.08115	4.5
122.05979	1.4
126.56454	0.9
128.98595	1.1
136.07562	29.2
137.07858	4.6
138.09114	4.5
147.11679	1.1
148.07623	1.3
149.09663	1.1
152.07039	1.3
164.07024	7.6
166.08607	8.5
167.09047	0.9
168.99944	0.8
184.07344	2.7
193.12263	1.4
203.93344	1.0
204.06493	1.9
212.09181	1.4
212.12804	1.0
224.05498	0.9
225.10190	3.6
232.53737	1.1
237.10179	3.7
238.10735	1.6
239.11771	3.8
240.12276	2.0
241.09682	4.0
241.13353	2.2
249.10240	4.4
250.10698	1.8
251.11774	2.5
253.09676	4.0
253.13293	1.5
255.11328	1.6
257.09244	5.4
261.10266	1.6
263.11667	3.5
264.08917	1.5
265.09637	4.4
266.10397	3.0
267.11273	9.6
267.15881	2.9
268.11636	5.0
268.15591	1.3
269.09216	2.7
269.12805	1.8
270.09811	1.4
271.10703	2.3
277.09708	2.5
279.11258	8.4
280.11627	2.6
281.09158	1.0
283.10660	3.6
284.11346	2.7
285.12198	4.4
286.12753	1.4
289.09610	2.4
290.10556	1.7
291.11200	1.6
293.09061	1.8
295.10675	2.1
296.11383	1.9
297.12350	3.4
298.13120	1.4
299.10187	3.6
300.10956	3.8
300.15295	0.9
301.11819	1.4
302.12775	7.2
302.16708	1.1
303.13666	12.3
305.09192	1.7
311.10226	6.7
312.10767	1.7
313.11734	3.3
314.12744	2.6
315.13519	2.5
316.14215	1.6
317.09042	1.6
317.14856	1.4
323.10364	1.8
325.11960	2.2
326.12442	1.3
327.04965	1.3
327.13364	1.6
328.10388	1.4
328.14337	3.2
329.11252	2.0
329.14951	1.1
330.12411	6.2
330.15805	1.6
331.13065	1.8
338.12982	1.8
339.13290	1.5
340.14261	2.7
341.06537	2.9
341.10928	1.0
341.14844	1.7
342.07239	1.7
342.12244	2.8
343.12802	2.1
344.13690	4.2
345.14423	1.4
346.15359	1.2
348.13147	3.0
352.14575	1.3
354.12125	1.7
355.12836	2.6
356.13800	5.0
357.14362	3.7
358.11780	2.9
359.16254	1.1
360.13202	1.1
360.17053	1.8
366.12128	1.9
368.13782	1.9
369.14508	2.2
370.15356	1.8
371.12170	9.4
371.16284	1.3
372.12793	2.4
372.17136	1.6
374.14764	4.7
374.18985	2.2
375.15631	1.9
382.11447	1.4
382.15793	1.2
383.12219	4.4
384.12985	2.2
384.17322	1.7
388.12222	1.4
388.16479	2.8
389.13345	3.5
390.14282	13.6
392.16177	1.7
395.12259	1.3
396.13446	1.6
398.14630	1.4
400.16486	1.3
401.16895	2.2
402.14337	3.5
402.18628	1.6
403.14783	6.1
404.15775	2.6
410.14844	1.6
412.16620	2.0
416.15741	1.6
418.13885	2.8
420.15381	4.4
422.19904	1.3
426.14301	1.7
428.16202	1.0
430.17505	2.9
431.17831	4.1
434.17035	2.3
436.11069	1.4
440.16068	1.7
442.17676	1.7
447.17804	2.9
448.18173	4.4
449.19141	3.1
458.16760	1.7
459.27277	3.2
462.16504	18.7
463.17245	26.7
464.17950	3.8
466.19620	2.3
468.15353	2.2
475.17059	4.0
476.17920	3.9
477.28207	2.5
480.23877	3.9
486.16705	3.6
491.20615	5.2
493.17911	2.5
518.19226	15.6
523.19873	1.1
534.18695	10.3
535.19073	47.5
536.20221	100.0
537.20557	5.4
552.19690	2.4
553.19910	8.9
586.27771	1.7
614.87048	1.0
692.26740	3.3
692.38800	3.0
693.28345	1.0
709.08392	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01863	0.7
55.05512	2.7
57.03427	1.7
59.04996	1.0
61.02635	0.5
61.02925	5.1
67.05499	10.4
69.03430	3.3
69.07060	2.0
71.01340	0.5
71.04992	1.0
71.59278	0.6
73.02908	3.5
73.04310	0.3
79.05482	3.8
81.03412	1.8
81.07043	4.0
83.04990	0.6
83.08615	1.2
85.02892	4.9
85.06536	0.7
87.04462	0.8
89.06013	2.1
91.03948	3.4
91.05473	2.4
93.07055	4.0
95.04961	0.6
95.08601	3.8
97.02889	4.0
99.04453	0.9
101.02388	2.1
103.03889	0.4
105.07027	9.7
106.07362	3.2
107.04958	0.5
107.07788	0.4
107.08564	1.8
109.02899	1.1
109.06519	0.5
109.10151	8.0
117.07054	0.4
119.08570	1.8
121.06487	0.8
121.10156	1.1
127.03909	1.8
131.08589	0.9
133.08643	1.1
133.10149	0.6
135.11708	1.3
137.09598	0.6
143.08571	0.4
145.10095	0.5
147.11707	0.7
155.10669	0.4
171.11732	0.4
173.11833	2.0
173.13123	0.5
184.07442	0.5
185.04216	0.5
195.09938	1.0
226.13179	0.6
227.12854	0.8
229.14435	1.2
231.10889	0.4
243.08446	1.7
275.20187	0.5
335.25882	0.4
361.21317	0.6
413.17792	10.1
413.22906	0.6
444.28098	0.4
464.27277	0.5
465.27661	0.9
466.27988	0.7
510.12283	0.4
519.29309	4.7
519.36871	1.6
529.38928	0.8
544.86768	0.4
691.40216	100.0
692.40509	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90954	0.3
53.03929	0.5
55.01878	0.6
55.05502	1.3
56.67186	0.3
57.03426	1.4
57.07067	0.5
61.02924	5.4
62.88615	0.3
64.94194	0.3
65.03933	0.5
67.05504	6.9
69.03428	3.3
69.07056	1.5
71.04993	0.8
71.58882	0.5
73.02915	3.5
79.05483	3.2
81.03422	1.5
81.07053	4.5
83.04959	0.4
83.08611	0.8
85.02898	5.6
87.04462	0.5
89.06033	1.6
91.03946	3.1
91.05479	2.8
93.07045	3.6
95.04964	0.7
95.08593	3.7
97.02900	4.2
99.04449	0.8
101.02381	1.6
103.03955	0.4
105.07024	7.8
106.07359	2.0
107.08575	1.9
109.02904	0.9
109.10160	5.0
111.08101	0.4
117.06988	0.5
119.08564	2.4
121.06513	0.4
121.10165	1.3
127.03913	1.3
131.08575	1.0
133.08630	1.0
133.10110	0.6
134.02718	0.3
135.11717	0.8
145.04999	0.4
147.11696	0.7
149.13235	0.4
159.11713	0.5
161.13246	0.3
173.11745	1.3
173.13205	0.5
185.04240	0.6
195.09956	0.9
227.12857	0.5
243.08395	1.8
269.09720	0.3
335.25836	0.8
383.22958	0.3
413.17728	4.2
465.27618	0.5
466.28159	0.5
519.29376	8.0
519.36761	1.0
691.40228	100.0
692.40936	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37719	1.9
53.03933	5.8
54.75252	1.8
55.01859	3.6
55.05502	6.2
57.03429	7.0
58.97038	1.7
61.02641	3.2
61.02925	34.6
62.62116	1.7
62.63682	2.0
67.05505	19.2
69.03422	12.0
69.07070	40.3
70.06599	16.2
70.19846	7.0
71.04987	2.1
72.08160	4.1
73.02916	14.8
76.02209	1.9
79.05487	17.4
81.03422	18.0
81.07053	24.2
83.04981	6.2
83.08607	3.1
84.04498	3.7
84.08134	8.9
85.02899	39.2
86.09687	7.1
87.04416	2.2
91.03950	21.5
91.05488	19.8
93.07034	15.9
95.01310	4.1
95.04980	8.1
95.08609	14.8
97.02889	28.2
97.06523	7.3
97.10182	1.9
99.08096	3.0
101.02363	4.0
105.07025	20.5
107.04961	18.6
107.08620	9.6
109.10128	3.2
110.07172	3.5
115.03955	2.2
116.64904	2.0
117.07020	9.3
119.08566	12.9
120.08099	4.3
121.02827	2.1
121.06503	3.3
121.10195	3.8
123.08069	2.7
125.09698	2.2
127.03916	9.0
129.10269	3.6
131.08542	7.5
133.10132	11.4
135.08006	3.4
135.11678	7.5
136.07555	2.8
145.04979	4.9
145.06474	3.2
145.10114	8.7
147.07954	2.1
147.11687	5.5
149.09607	11.7
151.11142	2.9
155.08440	2.0
159.11673	6.2
161.13277	2.5
163.05998	2.9
163.11215	9.2
165.09108	2.5
171.11719	3.0
179.14310	10.6
184.07358	2.6
205.12230	2.3
210.07043	2.3
233.89958	2.1
239.18044	2.3
253.18040	2.5
257.19034	3.2
275.20050	21.7
299.20010	2.4
335.37619	2.1
349.23761	31.0
349.27698	4.1
350.87366	2.2
367.24792	100.0
368.25385	2.5
373.23669	3.8
391.24811	16.4
409.25735	3.6
433.25793	2.1
457.25931	3.4
475.26614	4.4
493.27710	7.8
511.29340	3.3
529.30121	16.5
573.65912	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	691.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
55.05501	2.7
57.03423	2.1
61.02913	3.2
62.96866	0.7
65.03938	0.6
67.05499	6.8
69.03415	3.0
69.07045	2.7
69.36932	2.3
69.37360	4.5
70.04057	0.9
70.06564	0.8
71.04982	1.0
72.47898	0.7
73.02911	2.9
79.05483	8.0
81.03413	2.8
81.07058	7.1
83.04968	2.3
83.08622	1.8
84.08105	0.7
85.02887	3.0
86.09682	1.0
87.04459	1.2
89.06063	0.9
89.06656	0.6
91.03957	1.8
91.05479	5.0
93.07031	8.4
95.04975	4.3
95.08601	5.3
97.02872	4.8
97.06538	1.5
97.10170	0.7
101.02374	1.1
104.89037	0.7
105.07000	5.5
107.04972	3.9
107.08587	3.6
109.02869	1.1
109.06495	1.7
109.10136	2.0
111.08095	0.7
115.03912	1.0
117.07018	2.1
119.08556	3.2
121.06509	2.1
121.10159	2.0
127.03944	1.3
129.06999	2.1
130.91750	0.7
131.08559	2.4
133.10117	2.1
135.08078	0.9
135.11681	3.5
143.08522	1.5
145.10124	2.7
147.08109	0.9
147.11662	2.8
147.65242	0.6
149.02284	1.2
149.09576	0.9
152.47354	0.7
159.11710	0.7
161.13271	1.0
163.11179	3.6
165.09070	0.7
171.11650	1.3
181.12276	1.1
183.74806	0.7
184.07330	1.8
193.05052	0.9
219.09888	0.7
225.07991	0.7
227.12762	3.4
243.08514	3.0
249.10953	6.5
273.18503	0.9
275.20041	1.5
291.19604	0.8
305.13657	2.1
349.17233	0.8
356.38022	0.8
367.17847	1.2
370.68170	0.8
465.20853	9.1
467.18906	7.3
503.34183	0.8
511.34677	0.9
528.86200	0.7
529.34796	0.8
645.46118	0.8
677.36896	0.8
691.32874	100.0
692.33813	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	690.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.01871	1.0
55.05497	1.6
55.97486	0.8
60.04539	0.7
61.02911	2.0
65.03934	1.0
65.79710	0.7
67.05494	5.5
69.03420	2.2
69.07043	2.1
70.06585	6.2
71.04999	1.2
71.51643	1.3
72.08141	1.8
73.02919	0.8
79.05482	3.5
81.03431	1.6
81.07063	5.5
83.08606	0.8
84.04478	1.2
84.08136	1.3
85.02896	8.1
86.09688	2.3
87.04427	1.0
91.04027	0.7
91.05482	4.6
93.07043	4.3
95.04359	1.4
95.04958	18.2
95.08597	27.9
97.02867	2.5
97.06509	1.4
98.06099	0.7
103.05428	1.1
105.07016	2.8
107.04969	5.2
107.08583	7.0
109.06499	2.1
109.10139	5.8
109.24359	0.7
110.07134	0.8
110.09643	0.8
117.06949	0.9
118.07365	0.6
119.08550	3.1
120.08125	1.5
121.06494	17.1
121.10158	1.4
122.05992	1.0
123.08050	3.9
127.03903	1.6
129.07027	1.1
129.10219	1.2
131.08571	1.4
133.06415	0.7
135.08054	6.1
136.07547	0.9
137.05992	2.1
143.08546	2.9
145.04927	1.2
145.10074	1.1
147.04405	0.9
147.07980	1.2
149.05968	63.6
149.09604	6.2
151.07518	12.1
152.07053	1.8
159.08052	1.7
161.05965	2.1
161.09572	2.2
163.07521	11.5
166.08620	1.4
167.07053	5.5
169.10059	0.8
171.08026	1.8
172.03922	3.7
173.09601	3.4
174.06802	1.2
175.07521	5.5
175.11192	1.3
177.05457	49.1
177.08963	4.6
179.08540	1.2
181.04962	2.4
185.09596	1.1
187.07510	6.9
187.11147	1.1
188.08296	1.3
189.05470	2.9
189.09093	25.1
190.04979	1.6
191.03400	2.6
191.07024	6.5
191.10654	1.3
192.09271	1.8
194.08087	2.9
197.09601	2.0
197.13246	2.6
199.07535	0.8
199.11157	1.5
201.09108	9.9
202.09857	1.1
203.07021	3.5
203.10681	5.9
204.06593	3.6
205.08586	1.0
207.11661	2.5
209.09547	1.1
210.10417	0.9
211.11163	2.2
215.07013	5.4
215.10672	2.8
217.08588	23.5
217.10629	1.4
224.11978	1.8
225.12714	1.8
227.10660	3.0
229.08614	14.0
229.12085	5.4
229.15872	1.8
231.10214	5.9
235.11188	0.8
239.14188	4.5
242.13014	1.3
243.10188	2.3
243.13692	1.1
252.11592	1.6
253.12268	1.6
255.10240	1.5
257.11609	1.5
257.12048	1.5
257.15344	31.3
259.13177	1.0
267.10892	1.3
267.13779	20.3
271.09402	1.0
271.13306	1.6
275.12897	1.2
285.14832	64.0
287.11646	0.9
295.13400	8.4
303.12497	1.2
303.15878	17.4
303.19284	1.0
313.14313	100.0
314.14691	1.6
325.11893	1.3
331.15381	66.7
332.15829	0.9
349.16599	1.1
607.78796	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	16.8
55.01861	7.5
55.05511	28.0
55.10025	1.9
56.96552	3.6
57.03217	1.9
57.03438	16.6
57.07059	6.1
60.83738	1.9
61.02927	8.9
65.03933	4.7
67.05502	80.9
69.03429	30.7
69.06721	2.1
69.07068	31.6
71.05005	13.1
71.08617	2.2
73.02900	6.9
79.05490	64.0
81.03414	100.0
81.07053	96.3
83.04981	21.5
83.08620	19.5
85.02900	14.4
85.06538	5.6
87.04448	3.6
89.06028	4.6
91.03930	5.2
91.05478	66.7
93.07041	73.2
94.07411	2.1
95.04975	20.0
95.08601	53.3
96.08887	1.9
97.02892	44.6
97.06521	10.3
97.10154	8.1
99.04444	10.2
99.08057	3.6
103.03913	2.7
103.05437	4.0
105.07025	63.9
106.07394	2.7
107.04937	9.7
107.08588	40.8
109.02868	13.3
109.06522	9.9
109.10146	22.4
111.04441	5.0
111.08071	6.4
111.59783	2.0
115.05454	5.3
117.07014	30.3
119.08581	49.1
120.08874	3.5
121.06471	4.5
121.10140	28.8
123.08075	4.8
123.11725	12.5
125.09601	2.8
127.03922	15.9
128.06209	5.9
129.05461	7.8
129.06990	18.9
131.04927	2.2
131.08562	38.9
133.06552	3.3
133.10129	30.7
135.08029	4.4
135.11678	19.0
137.09592	3.2
141.06987	6.3
142.07755	5.5
143.08560	27.7
145.06538	3.2
145.10117	33.3
146.10474	2.1
147.08038	5.4
147.11681	35.1
149.06006	2.2
149.09608	5.7
149.13255	14.0
155.08546	12.9
156.09367	4.2
157.06548	2.5
157.10117	21.2
159.08051	2.7
159.11687	23.1
161.09619	3.1
161.13216	12.6
163.11229	3.6
163.14854	4.8
165.12717	10.8
167.08546	5.5
169.10141	14.5
171.08008	4.1
171.11676	15.9
173.04445	18.6
173.09686	3.0
173.13260	14.0
175.06061	2.4
175.11198	3.1
175.14803	5.1
177.12737	5.0
179.08572	3.3
181.10114	9.3
181.56783	1.9
183.11703	21.6
184.07312	3.0
185.09581	3.4
185.13246	13.8
187.11267	2.4
187.14832	6.3
193.10109	2.7
195.11731	9.5
195.13730	4.1
197.09520	2.1
197.13199	9.5
199.11179	2.4
199.14793	6.9
201.16272	2.8
203.14420	2.2
207.11668	6.2
209.13214	7.0
211.14809	4.8
213.12708	2.8
213.14641	3.1
215.14397	2.5
218.32353	2.2
221.13272	4.6
223.14804	5.2
225.16307	4.9
229.14371	4.3
235.14864	2.3
241.19521	7.2
251.17845	2.4
257.19098	2.6
259.20538	15.0
261.22180	6.6
267.15820	13.6
269.17572	7.1
271.20581	3.1
277.21683	3.6
283.20761	2.5
285.16907	2.6
291.02057	4.3
291.19806	2.5
297.22144	2.3
313.21906	2.1
315.23038	2.3
323.23526	2.7
333.24500	8.8
335.25800	11.7
351.23010	2.7
373.45279	1.9
400.76514	2.3
407.33151	2.5
411.19861	5.7
413.21683	6.2
419.17825	9.8
425.33887	2.9
435.32562	10.0
448.39072	2.2
453.33505	5.2
471.34467	2.8
509.36105	7.2
525.35468	3.5
527.37286	83.1
528.37506	7.1
529.38776	4.3
543.36450	2.8
545.38165	11.5
591.30408	5.5
635.39032	6.4
649.14636	2.0
653.40326	5.4
671.41925	14.5
689.25671	3.4
689.42566	60.2
690.42517	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	689.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02350	1.1
53.03936	7.1
55.01860	3.0
55.05255	1.8
55.05505	24.5
57.03435	12.8
57.07071	3.1
61.02922	12.5
61.31539	1.3
65.03931	3.9
66.71683	1.2
67.05499	56.0
68.05840	1.3
69.03066	1.8
69.03425	22.2
69.07060	22.1
71.01332	1.4
71.04981	7.6
71.08617	1.5
73.02911	9.3
79.05488	41.7
81.03413	41.4
81.07048	63.2
83.04967	13.4
83.08607	14.9
85.02894	16.1
85.06529	3.2
86.09691	2.5
87.04465	2.2
89.06013	5.0
91.03933	5.2
91.05475	41.9
93.06464	2.5
93.07036	44.9
95.04967	12.0
95.08595	33.6
97.02885	21.1
97.06522	6.4
97.10149	5.3
99.04438	7.3
99.08077	2.7
99.70294	1.1
101.02355	2.0
103.03958	1.5
103.05464	1.3
105.07018	53.3
106.07375	1.8
107.04953	6.9
107.08584	25.3
109.02883	7.4
109.06511	5.9
109.10143	13.5
111.04432	4.5
111.08044	3.1
111.21845	1.3
111.45441	1.3
115.05418	3.3
117.07003	19.6
119.08562	28.7
120.08917	1.7
121.06477	3.7
121.10133	21.9
123.04456	2.3
123.08051	4.0
123.11725	6.8
125.09654	3.0
127.03874	10.1
128.06215	5.8
129.05461	3.8
129.06982	18.5
130.07773	2.9
131.08556	30.2
133.06467	2.6
133.08566	2.6
133.10123	21.1
135.08017	3.6
135.11691	12.9
137.09596	3.2
141.06956	6.0
142.07776	3.4
143.08553	17.8
145.06448	2.6
145.10103	25.3
147.08009	1.7
147.11679	21.7
149.09599	3.6
149.13251	7.1
151.11188	3.5
153.06981	1.4
154.07735	3.6
155.08540	13.2
156.09319	2.2
157.06493	2.0
157.10103	21.8
159.08032	2.1
159.11671	20.5
161.09608	2.3
161.13271	9.9
163.11185	2.6
163.14740	1.7
165.07022	1.5
165.12747	5.3
167.08527	5.7
168.09360	1.3
169.10109	12.2
171.08128	2.0
171.11690	18.5
173.04474	8.2
173.09515	1.8
173.13235	11.2
175.11186	3.1
175.14749	3.6
177.12714	3.1
179.08530	1.5
181.10129	7.2
182.10811	1.4
183.07996	2.7
183.11685	16.7
184.07272	6.8
185.09552	1.5
185.13248	12.4
187.11150	1.3
187.14769	5.0
189.12721	1.2
193.10126	3.0
193.12144	1.2
195.11659	7.9
195.13565	2.5
197.13275	9.0
199.10986	1.6
199.13176	1.2
199.14771	7.1
201.12727	2.3
201.16299	2.0
207.11717	3.5
209.09572	1.3
209.13266	6.7
211.14883	6.6
213.12769	1.7
213.16406	3.0
215.14386	2.1
221.13226	3.2
223.14853	2.4
225.16405	2.1
229.14313	2.2
233.13275	2.1
235.14856	2.5
237.16223	1.7
239.18115	1.3
241.19498	5.1
243.21043	1.5
247.16965	1.4
249.16249	1.8
257.18982	3.3
259.20578	6.8
261.22208	2.5
267.15912	4.8
269.17307	6.8
271.20447	2.7
273.18799	1.3
273.22021	2.9
275.20020	2.4
283.20450	2.3
285.16971	3.4
299.20105	2.1
299.23547	1.6
301.21518	3.0
309.21890	1.3
311.20090	1.5
311.23657	3.0
313.21808	1.9
315.23270	1.8
323.23648	2.1
327.23358	2.3
333.24481	6.2
335.25760	4.0
337.21603	1.5
339.17294	1.5
341.24847	1.9
345.24121	2.1
357.24048	1.6
367.22568	3.5
369.24133	2.5
385.23480	1.7
411.20093	1.7
413.21539	2.7
415.29483	1.3
417.31311	2.9
435.32425	9.3
441.26294	1.9
453.33728	6.1
471.34650	2.9
509.36462	6.2
515.35938	1.5
517.38983	2.4
525.35345	4.1
527.37292	100.0
528.37366	3.5
539.36902	2.9
542.59564	1.5
543.37219	1.5
545.38928	5.8
569.37866	3.7
617.38593	2.2
635.39813	5.7
653.40363	7.3
671.41534	13.3
689.42480	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	689.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.8
53.03939	10.7
55.01866	8.8
55.05265	2.3
55.05509	29.8
57.03431	14.6
57.07063	6.3
61.02917	13.6
62.04151	1.6
65.03928	3.2
67.05498	74.7
69.03420	27.4
69.07067	27.2
69.47300	17.0
71.04990	11.7
71.08620	2.4
71.95252	2.2
73.02897	8.1
75.37897	1.8
79.05488	56.8
81.03410	67.0
81.07052	88.0
83.04974	20.2
83.08611	13.9
85.02897	18.8
85.06526	7.2
87.04428	2.0
91.03946	7.7
91.05473	56.8
93.06464	3.2
93.07038	57.4
95.04945	14.7
95.08039	3.4
95.08600	46.2
97.02879	34.1
97.06515	7.9
97.10137	5.7
99.04449	10.7
101.02374	2.1
105.07021	61.4
107.04930	3.8
107.08579	34.1
109.02853	9.5
109.06509	4.7
109.10142	13.5
111.04408	3.0
111.08072	4.5
115.05457	5.2
117.07011	27.1
119.08566	42.8
120.08961	2.2
121.06483	5.3
121.10130	30.5
123.08019	4.6
123.11697	9.5
125.09596	2.6
127.03911	12.4
128.06218	5.6
129.05450	7.0
129.06981	20.8
130.07811	2.8
130.78978	1.8
131.08553	34.4
133.06476	2.2
133.10124	22.9
135.08015	5.2
135.11671	15.1
139.11127	2.4
141.06979	7.9
142.07784	3.5
143.08557	24.2
145.06450	4.5
145.10123	34.0
147.08057	4.6
147.11667	28.7
149.09570	5.4
149.13220	13.5
155.08537	14.3
157.10121	20.8
159.08040	2.7
159.11687	24.7
161.13258	10.0
163.11176	3.4
163.14818	3.1
165.06976	3.7
165.12755	8.4
167.08556	6.1
169.10085	14.7
171.08020	3.1
171.11674	20.9
173.04445	17.1
173.09637	2.4
173.13228	16.6
175.11206	5.1
175.14809	4.6
177.12675	3.8
179.08540	3.4
181.10120	10.3
183.11673	16.8
184.07339	2.0
185.09706	3.1
185.13243	14.6
187.14801	7.2
189.16383	2.1
193.10217	3.3
193.12244	2.9
195.11676	9.7
195.13687	4.6
197.13223	12.1
199.06050	2.3
199.11189	2.9
199.14821	10.1
201.12732	3.0
201.16386	1.9
207.11636	4.1
209.13231	7.2
211.10986	1.7
211.14729	5.5
213.12840	2.0
213.16414	4.7
221.13232	3.6
223.14777	5.9
225.12814	3.4
225.16350	3.7
227.14336	3.1
227.18007	2.4
235.14749	4.2
241.19450	5.7
243.21013	3.1
253.15771	2.1
257.18988	4.0
259.20630	10.3
261.22116	9.0
267.15857	10.0
269.17432	5.9
281.18726	2.7
283.20343	2.1
285.16818	2.8
295.20444	2.0
301.21542	5.0
311.23697	3.1
313.21658	3.1
321.21701	1.8
323.23648	2.3
330.88434	1.9
333.24048	7.9
335.25714	7.5
339.23184	2.7
341.24573	2.6
345.24115	2.6
349.21588	2.6
351.22986	3.0
367.22556	3.7
369.24265	3.0
385.23703	2.9
392.43262	2.1
411.20081	2.7
413.21478	3.9
417.31512	3.8
435.32513	12.4
453.33447	7.7
471.34637	3.3
501.35318	3.3
503.37448	2.6
509.36636	9.0
517.39172	3.2
525.34930	3.7
527.37274	100.0
528.37677	4.0
543.35712	3.4
545.38446	8.9
569.38354	3.5
593.38715	1.9
635.39154	5.4
653.41193	8.8
671.41559	11.5
689.42584	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	6.7
55.05509	13.2
56.05025	5.6
56.96583	6.4
57.03440	28.5
61.02921	9.5
65.03925	6.9
67.05496	25.2
69.07063	13.3
70.06597	33.6
70.06907	6.1
71.59087	9.3
72.08122	6.7
79.05489	29.1
81.03415	6.2
81.07043	24.5
82.78561	6.1
83.08623	10.8
84.04491	11.9
84.08142	15.8
85.02922	13.7
85.06549	10.5
86.09695	24.1
91.05490	57.3
93.07027	26.1
95.04971	11.3
95.08603	19.7
97.02877	8.7
97.06532	6.7
103.05464	6.6
105.07020	32.5
107.04967	52.6
107.08579	12.7
109.06509	35.6
113.06003	6.6
117.07026	35.7
119.08562	23.4
121.02844	6.1
121.10124	9.6
123.08095	6.4
127.03871	6.2
127.04993	4.9
128.06157	9.0
129.07011	22.2
129.10262	8.5
131.04886	10.1
131.07008	8.7
131.08569	24.5
133.06425	9.1
133.10097	12.8
135.08046	11.4
136.07523	6.2
136.78296	5.8
141.10187	5.7
143.08574	17.3
145.06485	12.6
145.10152	27.0
147.08057	28.4
149.09613	6.8
149.94414	6.6
151.07594	6.7
157.10092	18.7
159.08032	7.4
159.11716	12.2
161.09647	14.2
161.58740	5.8
169.06410	6.7
171.07976	7.3
171.11670	9.2
173.09688	7.0
173.11711	6.1
173.13271	11.5
175.11183	12.4
183.11620	11.0
184.07312	6.9
199.14784	8.5
201.12692	12.6
217.15919	25.0
227.14043	6.6
255.17462	16.7
273.18555	56.6
347.22171	100.0
365.23157	55.4
515.03845	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	689.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.5
55.01865	5.0
55.05510	26.1
57.03432	15.3
57.07061	4.9
61.02927	12.9
63.36157	1.4
65.03931	3.4
67.05499	56.7
69.03425	25.7
69.07061	23.5
71.04996	10.3
71.12583	1.6
73.02905	6.4
79.05487	48.5
80.76381	1.6
81.03413	62.0
81.07050	71.6
82.07377	1.5
82.83495	1.6
83.04980	16.2
83.08613	12.4
85.02904	15.5
85.06540	5.9
86.09666	2.3
88.78817	1.5
91.03930	4.8
91.05474	46.7
92.46646	1.7
93.07041	46.8
95.04949	14.1
95.08593	36.3
97.02879	30.2
97.06509	7.7
97.10162	4.7
98.20739	5.3
99.04437	8.6
99.08090	3.2
101.02374	2.0
103.05480	1.9
103.99998	1.7
105.07019	43.6
107.04929	4.7
107.08588	30.1
109.02873	9.1
109.06516	5.4
109.10136	15.6
109.62579	1.4
111.04437	4.1
111.08060	3.8
115.03900	1.8
115.05457	3.5
117.07014	21.5
119.08575	31.4
121.06482	3.9
121.10133	22.1
123.08064	4.5
123.11692	7.7
125.09588	2.8
127.03915	8.6
128.06201	5.3
129.05466	6.7
129.06993	19.2
131.04836	1.6
131.08548	35.9
133.06512	2.6
133.10110	23.0
135.11679	14.8
137.09602	2.8
141.07031	8.0
142.07765	3.5
143.08554	21.7
145.06519	1.6
145.10129	30.2
147.08009	3.2
147.11682	27.1
149.09595	2.6
149.13229	12.0
153.07010	2.3
155.08542	15.9
157.10115	19.1
159.08070	2.9
159.11687	23.6
159.32883	1.7
161.09671	3.7
161.13229	7.3
163.07620	1.8
163.11160	2.3
163.14815	2.2
165.12735	5.7
167.08565	5.8
169.10069	12.2
171.08023	3.1
171.11687	16.9
173.04443	15.7
173.09479	2.9
173.13274	12.0
175.11186	2.3
175.14815	5.0
177.12659	1.8
179.08556	2.7
181.10162	9.7
183.11705	17.9
184.07364	6.4
185.13214	13.9
187.11115	2.3
187.14835	5.1
189.12766	1.8
191.08279	1.8
195.11674	8.8
195.13539	3.2
197.13190	9.1
199.14790	8.2
201.16377	1.8
207.11702	3.5
209.13261	6.7
211.14812	6.0
213.16360	5.1
215.14307	1.8
221.13274	4.4
221.15178	1.7
223.14806	5.1
235.14891	2.3
237.16374	3.9
239.17949	2.2
241.19513	5.1
243.21143	2.1
249.16350	1.8
257.19037	2.1
259.20615	10.0
261.22113	4.6
267.15738	9.7
269.17532	6.1
271.20526	2.7
283.20468	2.7
299.20071	2.4
299.23413	2.7
301.21609	2.3
309.22299	3.3
311.23721	2.3
313.21695	3.1
325.21649	1.9
327.22849	2.0
333.24182	5.5
335.25748	6.5
337.16684	2.2
341.24728	2.4
348.60843	1.8
351.22980	2.4
361.24533	1.9
367.22522	2.4
369.24304	4.0
411.20129	2.5
413.21643	4.8
417.31384	2.9
435.32666	12.6
453.33658	9.3
471.34439	4.5
509.36020	10.0
517.38959	2.9
525.35522	3.9
527.37286	100.0
528.37543	5.6
529.38788	3.2
539.37122	3.3
545.38226	6.3
551.36908	2.5
569.38007	4.6
611.39282	3.2
617.38177	3.2
635.39166	5.2
653.40350	9.7
671.41547	13.7
689.42609	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	689.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54002	2.1
52.77193	2.5
54.23640	2.0
55.05499	7.5
56.05024	4.3
57.03434	23.0
59.07350	2.2
61.01147	2.5
61.02924	4.3
67.05499	14.5
67.55994	2.3
69.07068	5.0
70.06596	33.2
71.20249	5.2
72.08145	8.9
78.06153	2.2
79.05501	11.1
81.07040	9.5
83.08604	4.4
84.04501	4.7
84.08154	14.5
85.02885	5.9
85.06515	5.4
86.09693	26.8
91.05477	24.7
93.07052	14.9
95.04956	4.6
95.08595	5.4
97.06504	4.3
103.05474	2.6
104.10722	2.3
105.07030	16.6
107.04931	9.8
107.08580	6.0
109.06490	16.3
109.10123	2.5
117.07027	15.1
119.08566	10.2
120.08070	7.7
129.07011	11.0
129.10199	7.3
131.08592	12.4
133.10095	5.6
135.08029	4.3
141.06973	2.7
143.08557	4.2
145.10114	10.5
146.84906	2.5
147.08060	15.2
157.10106	10.5
159.08025	2.9
159.11699	4.9
161.09641	5.4
171.11607	3.1
173.13234	5.8
175.11240	3.8
183.11700	6.5
195.11679	4.6
199.14873	6.5
201.12674	10.3
217.15825	9.9
221.70744	2.4
236.78188	2.3
237.16458	4.9
255.17461	7.1
273.18442	19.8
291.19540	6.0
295.27222	2.6
347.22159	100.0
365.23071	7.5
424.82077	2.6
435.95386	2.8
461.56033	2.2
478.73926	2.8
689.34473	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	688.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.2
53.03930	0.5
55.01862	0.2
61.02914	0.5
62.06075	0.4
67.05466	0.2
69.03422	0.3
69.98983	0.5
70.06582	0.4
73.02908	0.2
77.03928	0.3
79.05482	0.8
81.03403	0.7
81.07021	0.1
83.08627	0.1
85.02888	0.8
91.03951	0.2
91.05472	0.3
93.07031	0.1
95.04960	1.6
97.02879	0.5
98.21503	0.1
105.04526	0.3
107.04945	100.0
108.05268	0.4
111.08098	0.1
119.04946	0.3
119.22453	0.1
123.04396	0.6
125.76545	0.1
127.03921	0.2
129.07048	0.1
133.06558	0.1
137.06017	0.2
145.05003	0.3
157.10136	0.1
173.60666	0.1
175.11095	0.1
193.12219	0.6
210.14867	0.6
213.09077	2.2
213.10979	0.2
228.15929	0.2
229.11678	0.1
257.95789	0.1
267.08688	0.2
267.15887	0.4
269.10120	0.2
283.32672	0.1
285.16913	1.1
302.19553	0.5
320.20746	0.5
346.22198	0.7
482.25760	0.2
508.27856	0.6
670.32770	1.1
692.01202	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	688.42
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	0.3
51.02359	0.3
53.03937	1.0
59.05002	0.2
61.28437	0.2
67.05486	1.1
73.06541	0.4
77.03917	0.7
79.05486	5.7
81.07027	0.5
86.09705	0.5
87.04459	3.5
89.06022	20.5
91.05470	2.3
93.07031	1.7
95.04969	2.5
98.20676	0.3
103.05455	4.4
103.92793	0.2
105.07018	100.0
106.07356	0.7
107.07043	0.8
109.10127	0.5
114.94808	0.2
117.06985	0.3
119.04971	0.4
119.08543	0.5
121.06490	9.9
125.00012	0.3
129.07004	0.8
130.08643	0.2
131.07011	0.7
131.08542	2.5
133.08588	11.4
147.08069	1.6
149.09599	0.2
165.06987	0.5
165.09065	2.8
166.07805	0.4
167.10526	0.2
169.97209	0.2
175.09731	0.2
177.11211	3.9
181.10107	0.3
184.07256	1.3
209.11707	1.0
209.13341	0.6
221.13811	0.6
223.11209	0.6
225.12694	3.4
227.12807	0.5
251.14313	3.6
253.15968	0.5
269.15329	3.9
271.15332	1.2
295.16971	0.4
313.17816	1.0
315.17990	0.7
327.17371	0.4
329.19019	1.5
357.20575	0.3
359.20605	10.6
373.21667	1.5
375.21829	0.5
419.24451	0.8
463.26862	17.0
464.26849	0.4
477.27716	0.5
526.96997	0.3
567.32861	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	686.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28683	0.6
53.03939	2.4
55.01886	0.8
55.05507	12.6
57.03175	1.2
57.03433	12.0
57.07067	2.6
59.04987	3.6
61.02917	4.9
65.03941	2.2
67.05498	100.0
67.51208	0.6
68.05822	1.0
69.03426	1.2
69.07061	8.4
69.91399	2.8
69.91815	1.2
71.04992	3.9
72.19123	0.6
73.02901	1.4
79.05486	20.5
81.03397	1.2
81.07048	37.7
81.15221	0.8
83.08612	8.7
85.02893	3.9
85.06544	2.5
87.04474	0.8
89.06045	1.0
91.03960	1.7
91.05478	13.7
93.07037	25.9
95.04972	3.4
95.08598	26.2
97.02895	2.8
97.06534	1.6
97.10165	2.4
97.98692	0.7
99.08112	0.9
105.07016	11.1
107.08584	14.2
108.30677	0.7
109.06525	1.5
109.10147	76.2
111.08092	2.1
117.07029	2.8
119.08578	10.1
121.10131	12.9
123.11649	4.0
125.09616	1.4
131.08566	3.6
133.10129	4.1
135.11679	8.3
137.09604	3.3
145.10106	3.7
147.11720	3.6
149.13211	4.9
155.10635	4.6
159.11668	3.8
161.13228	3.3
163.14873	2.3
173.11748	21.7
173.13240	3.1
175.14798	1.5
187.14828	1.8
227.12746	3.9
229.14337	79.5
230.14723	1.1
243.21013	4.0
261.22107	16.2
269.33649	0.7
301.12839	0.8
317.24725	3.3
335.25766	69.5
336.26126	1.4
389.12857	0.7
397.31238	0.9
471.34778	0.9
489.35721	59.8
490.36209	2.3
507.36713	2.7
555.32770	0.8
609.07062	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	2.5
51.60769	2.2
53.03941	11.9
55.01860	10.4
55.05507	35.3
57.03441	15.9
57.07064	5.3
61.02917	4.5
65.03929	7.4
67.05499	81.2
69.03424	23.3
69.07063	47.8
70.06606	2.5
71.01382	3.0
71.04984	9.7
73.02931	3.5
79.05051	4.5
79.05487	64.7
81.03415	63.9
81.06570	5.7
81.07050	100.0
83.04979	19.4
83.08617	19.2
85.02911	12.5
85.06529	8.2
86.09675	4.4
87.04439	3.8
89.06028	10.0
91.05471	75.5
93.07035	75.3
93.49328	2.3
94.51136	2.8
95.04971	26.4
95.08598	44.9
95.09161	4.0
97.02904	17.4
97.06523	13.2
97.10133	6.5
99.04459	7.5
99.08071	3.0
103.05476	3.6
105.07021	69.6
107.04980	13.8
107.08583	40.5
109.02872	12.5
109.06496	13.0
109.10161	18.5
111.04435	7.6
111.08067	9.8
115.05456	7.3
117.07000	28.8
119.08568	41.0
119.33220	2.7
121.06482	15.6
121.10129	21.3
123.04394	3.3
123.08051	7.9
123.11713	6.0
125.05949	2.6
125.07020	2.3
125.09608	3.3
127.03925	12.8
128.06235	4.9
129.05478	3.0
129.06998	19.6
130.07791	3.7
131.08560	40.9
133.06485	8.0
133.08641	3.2
133.10114	38.9
135.08064	10.4
135.11656	13.8
137.09587	6.8
141.06963	5.5
142.07776	3.5
143.08562	18.6
145.06499	5.9
145.10103	30.5
147.08063	9.7
147.11650	19.1
149.09613	11.0
149.13274	10.9
151.11195	3.9
153.07025	2.9
155.08551	11.6
157.06477	2.4
157.10104	17.9
159.08055	5.5
159.11687	23.2
161.09567	4.4
161.13242	5.3
163.11174	9.5
165.06985	3.8
165.12759	3.8
166.07852	2.9
167.08548	4.3
168.11327	5.0
169.10132	7.8
171.11719	9.8
173.04449	7.7
173.09642	7.4
173.13248	8.3
175.11093	4.0
177.12706	5.7
179.08559	5.1
179.14336	3.6
181.10146	8.4
183.06621	2.7
183.11676	11.1
184.07370	9.4
185.09706	5.6
185.13269	8.0
187.11150	4.6
189.11186	3.5
189.12700	3.1
193.10225	3.1
195.11748	4.4
195.13704	5.6
197.09692	3.6
197.13164	7.1
199.11151	3.7
201.12770	3.7
203.10767	2.6
207.11623	3.0
209.13264	3.5
211.11281	4.0
211.14780	4.4
221.13324	3.0
223.11136	3.0
225.12904	3.0
227.12607	3.0
239.17998	3.4
243.13850	3.3
252.20163	2.5
257.19037	10.4
267.15717	2.6
269.17441	8.7
273.18289	2.9
275.20071	48.6
279.15451	2.5
295.12421	2.7
299.20309	3.4
313.21466	3.7
317.21140	3.1
339.17944	6.0
341.21170	2.6
349.23700	4.2
360.86258	3.0
383.22229	5.1
395.20624	6.7
401.23096	4.1
457.25430	3.2
475.26724	4.6
525.35583	19.2
543.37183	11.5
613.37140	2.8
651.38727	4.6
669.39874	13.7
687.27740	5.9
687.40796	77.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97111	2.8
55.05505	6.5
55.16517	2.8
55.81452	2.6
57.07078	42.3
61.02930	14.2
67.05508	15.2
69.07066	9.6
71.08635	37.5
73.02923	4.5
81.07056	18.2
83.08627	11.3
85.02908	17.2
85.10199	15.9
89.06046	4.7
90.06408	2.3
91.03960	13.4
95.08610	24.6
97.02900	7.6
97.10195	7.5
108.33762	2.6
109.10159	13.5
111.11661	2.9
120.86327	2.5
123.11756	3.8
127.03962	3.6
133.08635	3.1
145.05003	5.0
163.06041	10.8
165.99829	2.6
178.86865	2.7
198.10745	3.1
227.20065	19.9
228.20422	13.1
247.22818	2.9
253.25287	30.6
327.28937	100.0
345.29971	26.3
560.51221	2.9
608.28693	3.4
669.54443	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68984	0.5
53.03957	0.8
55.01883	0.6
55.05507	11.0
55.05751	1.1
55.62826	0.5
57.03180	1.1
57.03436	13.4
57.07069	3.6
59.04993	4.1
59.05227	0.4
61.02920	4.1
65.03938	2.7
67.05500	98.4
68.05825	1.4
69.03418	1.2
69.07067	8.3
69.27808	5.0
69.28235	1.6
71.04990	3.7
71.12115	0.5
73.02929	1.3
79.05486	17.9
81.03421	0.7
81.07053	35.6
83.04984	1.2
83.08614	8.6
85.02904	3.4
85.06543	2.8
86.35068	0.6
87.04468	0.7
89.06039	0.9
91.03941	1.8
91.05479	12.9
93.07037	23.1
95.04989	2.0
95.08601	24.3
97.02882	2.4
97.06538	1.2
97.10160	2.0
99.08086	1.2
105.04464	0.6
105.07015	9.1
107.08587	13.0
109.06525	0.8
109.10149	75.6
110.10503	1.7
111.08086	3.0
117.06995	3.7
118.32077	0.6
119.08569	11.6
121.10144	8.9
123.08120	0.8
123.11708	4.0
125.09592	1.7
127.03915	0.7
131.08556	5.1
133.10114	5.3
135.11668	6.5
137.09595	3.4
137.13239	0.9
139.11168	1.1
145.10109	4.2
147.11646	2.4
149.13243	4.0
155.10640	4.2
159.11624	3.9
161.13249	2.6
163.14781	2.9
173.11749	23.1
173.13248	3.2
174.13562	0.6
175.14830	1.3
177.16312	1.0
187.14789	1.7
189.11183	1.4
227.12726	4.7
229.14336	100.0
230.14734	2.7
243.21065	4.0
261.22125	16.3
262.22400	0.6
279.23053	0.7
317.24823	3.7
335.25778	65.2
336.26138	3.4
397.30774	0.9
415.32016	1.5
433.32449	0.8
471.34595	1.3
489.35712	39.0
490.35925	2.8
507.36722	2.7
561.97864	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.1
50.29249	0.1
51.02377	0.3
52.96666	0.1
53.03936	0.9
55.01858	0.4
56.05025	0.2
61.02929	0.3
69.03412	0.5
69.53262	0.6
69.53690	0.7
70.06583	2.0
71.04969	0.1
72.08131	0.4
77.03919	0.3
79.05095	0.2
79.05489	1.6
81.03410	0.5
81.07050	0.1
84.04504	0.4
84.08137	0.6
84.16586	0.2
85.02911	1.1
86.09687	0.6
91.05446	0.3
93.07031	0.2
95.04964	2.1
95.06020	0.2
97.02880	0.4
97.06532	0.3
98.21553	0.3
98.97543	0.2
105.04504	0.4
107.04948	100.0
108.05250	0.9
109.02868	0.2
110.07169	0.5
118.06527	0.7
120.08089	0.3
129.10249	0.5
130.06522	9.8
131.04906	0.3
132.08133	0.3
136.07536	0.3
137.05933	0.3
142.06592	0.2
143.07320	0.2
144.08090	1.6
146.06000	5.2
149.06125	0.2
149.73152	0.2
154.06490	0.3
156.08052	0.2
159.09085	0.3
160.07594	0.2
170.05986	0.5
173.02396	0.1
175.07700	0.1
188.07053	12.7
200.07101	0.6
205.09747	0.6
206.09703	0.4
222.09167	0.4
234.09108	2.5
235.09853	0.2
236.10677	1.2
248.10811	1.3
252.10135	0.3
276.10150	0.3
294.11227	7.9
297.07977	0.2
311.13904	8.4
326.95215	0.2
341.30191	0.2
346.60422	0.2
350.12576	0.2
357.13327	0.3
400.15448	3.2
401.49240	0.2
417.18045	4.8
418.18448	0.2
456.16516	6.3
457.15817	0.2
473.19208	2.9
562.11945	0.3
562.20691	4.6
563.20612	0.2
579.23364	8.1
685.27228	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28961	1.3
57.03434	1.8
67.05497	3.5
67.26611	1.5
68.11914	1.4
69.07066	2.5
69.52822	11.6
79.05495	3.1
81.07065	4.5
83.94617	1.3
89.05402	1.4
93.07046	3.5
95.08618	3.8
105.07049	3.5
107.08634	1.9
108.55624	1.5
133.03716	1.4
145.10208	1.4
340.48941	1.5
351.21317	7.8
407.24020	3.4
433.23978	1.5
454.73535	1.5
587.46558	4.0
685.46448	100.0
686.46704	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	685.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.3
53.03925	0.7
55.01860	0.4
57.03426	0.2
61.02908	0.2
68.73935	0.1
69.03420	0.5
70.06583	0.9
72.08142	0.2
73.02914	0.2
77.03924	0.4
79.05486	1.7
81.03407	0.5
81.07027	0.1
82.81962	0.1
82.95715	0.1
84.04505	0.1
84.08128	0.3
85.02899	1.0
85.88564	0.1
86.09692	0.4
91.05481	0.2
93.07043	0.2
95.04955	2.1
97.02892	0.6
102.05534	0.1
103.05470	0.1
105.04514	0.4
107.04942	100.0
108.05262	0.7
109.02907	0.2
110.07137	0.2
112.08681	0.1
116.07033	0.2
118.06527	0.8
120.08092	0.2
120.87298	0.1
121.02901	0.1
127.03915	0.2
129.10243	0.2
130.06511	10.5
131.04944	0.3
131.06888	0.1
132.08072	0.3
136.07565	0.2
137.06007	0.1
142.06517	0.2
143.07234	0.1
144.08076	1.6
146.05989	5.3
147.06361	0.1
149.05981	0.2
151.03850	0.2
154.06517	0.3
156.08107	0.4
158.06012	0.3
158.87968	0.1
159.09145	0.3
160.07521	0.1
170.06015	0.5
172.07582	0.2
188.07042	13.2
189.07343	0.1
200.07018	0.9
205.09705	0.6
206.09680	0.4
213.09131	0.2
222.09102	0.3
230.35039	0.1
233.08412	0.1
234.09090	2.2
236.10715	1.2
248.10680	1.3
250.12250	0.3
265.13330	0.2
272.12598	0.1
276.10193	0.3
283.06412	0.2
294.11224	8.1
311.13873	8.6
312.14325	0.1
335.23413	0.1
342.14700	0.2
400.15399	3.4
410.15994	0.2
417.18024	5.0
420.08099	0.1
428.93243	0.1
456.16507	7.2
457.16867	0.1
473.19168	3.0
483.06003	0.1
533.22229	0.2
562.20660	5.1
563.20734	0.1
579.23285	8.6
580.23621	0.1
668.24982	0.2
685.26215	0.2
685.38031	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32096	0.2
53.03942	1.8
55.01869	1.3
55.05476	0.4
57.03432	1.0
61.02911	1.0
67.05456	0.9
67.05775	0.2
68.99751	0.8
69.03422	6.4
69.07043	0.3
70.06560	0.4
71.01290	0.2
71.04953	0.9
73.02907	1.3
79.05457	0.5
81.03409	8.3
81.06995	0.7
83.04926	0.3
83.08527	0.2
85.02896	8.9
87.00823	4.2
89.44791	0.2
91.03922	0.4
91.05411	0.6
92.02627	0.2
93.03344	0.3
93.07013	0.4
95.04899	0.7
95.08578	0.4
97.02887	3.9
99.04448	2.2
105.01862	2.4
105.07004	0.5
107.04282	0.2
107.04939	2.5
107.08556	0.3
109.02869	5.6
111.04393	0.3
117.01806	0.7
119.08493	0.2
121.02855	1.5
121.06443	0.4
125.09512	0.2
127.03906	6.8
129.01791	0.5
129.06972	0.3
131.08495	0.4
135.04370	0.5
137.02263	0.7
137.05946	0.2
139.03792	0.2
141.05428	0.2
141.06892	0.2
145.04935	1.7
145.10085	0.2
147.02829	0.5
149.02321	1.5
151.03889	5.9
151.05020	0.3
152.04660	0.3
159.01643	0.4
159.02864	3.1
161.02274	0.4
163.03902	0.3
165.05434	0.6
167.03342	0.9
169.06458	0.3
171.08017	0.2
179.03363	3.4
180.04117	0.4
197.04411	1.8
197.05995	0.4
198.06737	0.2
201.43970	0.2
211.07350	0.3
213.03752	0.3
213.05544	0.3
215.06946	0.4
225.05502	0.4
226.06229	0.2
227.06944	0.5
229.05051	0.2
231.04976	0.7
242.05737	0.5
243.06567	0.5
244.07277	0.4
253.04968	0.3
255.06436	0.5
257.04456	0.5
257.08029	0.4
269.08334	0.3
270.05142	0.9
271.05984	0.5
272.06668	0.4
282.05212	0.3
283.05905	0.3
285.04166	0.3
285.07437	0.5
287.09024	0.8
298.04633	2.2
299.05521	1.2
300.06262	2.7
311.05569	0.3
313.03412	0.5
313.06937	3.6
315.04953	1.0
315.08636	0.5
316.05728	1.1
328.05746	11.7
329.06372	1.5
330.03839	0.5
331.08127	1.8
337.10513	0.2
343.08084	54.7
344.08374	0.6
373.08984	0.3
377.09497	0.2
391.07898	0.2
395.96509	0.2
405.09610	0.5
407.07932	0.4
421.09378	0.5
422.09818	1.0
437.12277	100.0
438.12604	1.6
479.13467	0.3
607.56604	0.2
685.33893	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.0
55.01864	5.8
55.05509	16.0
56.05043	7.1
57.03427	7.9
57.07058	3.2
61.02915	7.4
67.05487	15.9
69.03428	30.5
69.07063	17.4
70.06588	56.1
71.04985	24.6
71.14127	2.8
72.08144	11.5
73.02917	4.1
79.05486	22.1
81.03421	21.5
81.07053	72.8
83.06083	7.2
83.08599	5.1
84.04493	8.8
84.08141	9.2
85.02901	56.6
86.06066	5.0
86.09717	17.5
87.00822	25.5
87.04441	6.4
91.03938	4.1
91.05489	14.5
93.07037	36.8
95.04971	11.1
95.06072	8.0
95.08608	34.2
97.02879	23.5
97.06524	12.7
97.10147	4.7
99.04425	5.9
99.08093	5.8
103.05475	4.9
105.01849	20.6
105.07011	35.6
107.04951	49.2
107.06055	3.4
107.08599	45.9
109.02863	12.1
109.06496	6.2
109.10155	40.6
110.07171	21.3
111.04403	3.9
111.05580	3.6
117.07043	7.2
117.71188	2.8
118.06526	3.8
119.08576	57.0
120.08116	9.3
121.06513	8.4
121.10139	14.0
123.11710	16.4
125.09619	3.7
127.03902	29.0
127.11177	30.5
129.01842	3.1
129.10216	10.7
131.08531	6.6
133.10127	33.1
135.04390	4.1
135.11687	66.4
136.07558	6.8
137.05959	7.4
137.13287	5.0
143.08534	4.3
143.10670	11.9
145.04955	10.9
145.10114	11.9
147.11674	31.9
149.09578	3.4
149.13252	16.4
151.03938	3.2
153.12747	6.7
157.10100	6.5
159.02888	7.7
159.11621	4.9
161.13261	16.4
163.03882	7.8
165.12764	4.3
170.61644	3.3
171.11740	5.0
173.13368	4.4
175.14841	5.5
177.16319	4.3
179.08717	3.8
183.11636	3.9
185.13170	4.0
201.12798	4.2
203.17957	76.7
205.19487	6.4
219.17448	4.5
221.18983	100.0
221.21043	6.9
222.19362	3.4
231.04985	5.3
259.09671	3.5
311.20129	5.0
329.21231	5.2
433.22717	4.0
451.23026	9.0
666.35651	4.6
684.37598	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	683.4874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.9
55.01866	3.3
55.05262	3.0
55.05511	31.6
57.03432	20.6
57.07058	5.2
62.75382	2.2
63.85894	2.3
65.03929	6.1
67.05504	86.0
69.07076	30.0
69.26729	26.3
70.06572	3.5
70.25129	2.1
71.04977	9.7
71.08617	2.3
75.04465	7.6
77.03907	2.5
79.05489	81.4
81.07056	100.0
82.07382	2.8
83.04984	6.3
83.08614	18.1
85.06521	4.7
88.07620	13.7
89.06012	6.5
91.05472	69.5
93.07041	82.8
95.04984	12.8
95.05463	2.7
95.08604	84.9
97.06519	8.7
97.10148	9.8
103.05463	3.5
105.07029	72.9
106.08661	3.2
107.08594	50.3
109.06493	4.2
109.10159	28.5
111.08083	3.5
115.05449	7.2
117.07022	40.3
119.08583	62.1
121.10138	36.5
123.08078	3.8
123.11687	9.9
123.68002	2.7
125.09649	2.3
128.06210	9.6
129.07013	31.5
130.07785	2.9
131.07039	3.4
131.08559	52.3
133.10136	49.9
135.11703	21.9
141.06969	11.4
142.07767	6.6
143.08549	34.7
145.10121	54.6
147.11682	26.7
149.13290	14.8
153.07030	3.3
154.07809	3.3
155.08559	28.1
156.09344	5.2
157.10136	37.9
159.11685	36.0
161.09593	2.4
161.13313	12.4
163.14786	6.9
167.08595	11.6
168.09381	5.0
169.10150	32.5
171.11681	39.2
173.13261	26.7
175.14799	8.1
176.99338	2.7
179.08582	3.0
181.10114	15.1
183.11719	33.6
185.13274	25.1
187.14850	13.1
189.12581	3.2
189.16374	5.6
192.09276	2.6
193.10086	5.5
195.00352	4.1
195.11662	15.6
197.13258	20.4
199.14832	13.9
199.16930	12.0
201.16435	4.2
203.17952	2.9
207.11768	3.8
209.13368	12.4
211.14833	16.6
213.16411	12.5
215.17960	3.2
221.13269	5.4
223.14792	9.8
225.16354	11.0
227.17966	4.7
235.14804	6.7
237.16382	6.7
239.17914	6.2
241.19484	8.0
249.16376	3.0
251.17844	4.4
251.94301	2.4
253.19731	3.6
254.95370	3.6
259.20618	15.9
263.18018	3.6
267.20776	2.4
277.21829	3.2
283.20425	3.8
299.23630	3.9
313.25092	2.5
315.23190	3.3
333.24191	22.0
335.25952	11.4
336.26282	4.5
349.00601	20.0
349.24924	3.2
351.25656	10.0
367.26141	3.0
369.93936	2.4
373.27615	2.7
381.27588	3.1
391.08939	2.7
395.29681	3.8
425.30630	2.8
447.32559	6.1
451.31833	3.1
475.35504	3.3
499.39285	4.7
517.40503	29.0
535.41797	17.0
591.44196	24.0
609.44910	14.4
665.47314	5.8
683.36987	4.0
683.48810	73.2
684.49237	3.6
702.33289	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	683.4488
Annotation	Phepropeptin A
Peak:m/z	Relative Intensity
55.05508	0.7
57.03430	0.6
57.07068	1.5
67.05494	2.3
69.07079	2.1
69.81482	1.7
69.81896	0.7
75.28684	0.4
79.05488	2.0
81.07053	2.2
83.08630	0.5
88.07594	0.4
89.06030	1.2
91.05498	1.9
93.07028	2.1
93.39225	0.4
95.04984	1.0
95.08608	1.4
105.07029	6.1
107.08593	1.1
109.10139	0.6
110.21915	0.4
119.08611	1.2
121.10157	0.8
123.11733	0.5
129.07076	0.6
131.08528	0.6
133.08583	0.7
133.10110	0.6
140.88322	0.4
145.10162	0.5
176.25468	0.4
176.97089	0.4
317.21008	1.0
333.20255	5.0
333.23517	0.4
373.23505	1.4
389.23001	4.1
547.72198	0.5
597.38281	0.5
613.36969	0.5
638.24573	0.4
683.44946	100.0
684.45465	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	683.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	2.1
58.99840	1.3
67.05481	1.2
69.07060	0.7
70.06552	1.4
71.59327	0.7
72.08148	0.6
77.00908	9.7
81.07012	1.1
83.08572	2.4
86.09687	0.9
91.05478	0.9
93.06978	0.6
93.70831	0.5
95.01951	5.1
97.02814	0.5
107.04974	0.8
107.08571	0.8
167.05562	0.5
173.06590	1.5
184.07295	2.3
187.08139	2.0
197.10246	2.9
201.09709	2.2
205.09175	1.7
207.12421	0.6
209.10243	1.0
213.09729	0.7
215.11296	21.7
217.10771	1.4
217.17378	0.6
219.10759	1.4
223.11760	2.5
225.13319	3.0
227.11301	3.3
229.12801	1.6
233.12300	9.1
235.11768	2.3
239.11241	2.3
241.12827	7.4
243.14409	26.8
244.14671	0.6
245.12320	1.3
247.11794	0.8
251.11301	1.2
253.12854	20.7
255.14240	1.3
257.12372	1.6
259.13980	3.6
261.15424	9.2
265.12939	1.4
266.16016	1.5
269.12485	1.1
271.13901	21.4
275.18848	0.6
276.14429	2.1
283.13943	0.9
293.19470	1.3
294.15436	1.6
311.20618	1.6
317.19617	8.8
335.20654	30.0
336.21088	0.6
353.21722	100.0
354.22095	1.7
358.22360	2.0
371.22781	83.1
372.23068	1.9
376.23413	2.4
387.20612	1.2
394.24335	15.5
395.24820	0.9
463.62857	0.6
564.32660	0.7
683.36841	0.5
683.46136	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	683.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96389	0.8
55.05519	1.5
56.54843	0.7
56.96560	0.8
58.14117	0.7
58.99846	1.0
65.44322	0.7
67.05494	2.4
67.44693	0.6
69.07055	0.8
70.06585	2.7
70.32364	3.0
72.08135	1.0
77.00911	12.9
79.05489	1.2
81.07062	1.0
83.08615	2.3
84.08139	0.9
85.02942	0.7
86.09714	1.4
91.05458	1.0
93.07040	0.8
95.01948	8.0
95.08574	0.6
100.02451	1.0
105.07038	1.0
107.04964	3.0
121.06492	0.8
129.10335	0.8
145.06480	1.0
157.03488	0.7
161.08304	0.7
173.06642	1.6
184.07317	1.0
187.08215	2.4
189.09756	0.9
191.07597	0.8
195.02605	0.7
197.10199	4.3
201.09727	5.1
203.09149	1.0
205.09200	2.6
207.12344	0.9
213.09761	3.2
215.11292	33.1
219.10777	3.1
221.10254	1.1
223.11768	2.7
225.13271	4.2
227.11290	6.0
229.12851	1.0
231.10698	5.0
233.12321	12.5
235.11656	4.3
236.11459	0.9
236.58946	0.8
237.13576	1.1
238.12872	0.9
239.11327	3.6
241.09216	1.6
241.12863	6.3
243.14426	29.7
245.12302	1.6
253.12865	32.7
254.12900	0.9
257.12332	2.7
259.13983	1.4
261.15494	9.0
265.12997	1.0
266.16086	2.3
271.13913	44.9
272.13962	1.0
276.14468	4.0
279.14316	1.0
294.15488	2.2
294.76520	0.8
311.20612	0.8
317.19547	11.0
335.20660	53.3
336.20892	1.4
353.21735	87.8
354.22171	1.1
358.22345	3.5
366.16269	0.8
371.22794	100.0
372.22964	1.4
376.23413	4.0
384.81860	0.9
394.24347	19.2
395.24448	1.0
424.48260	0.7
465.15585	0.7
565.35724	1.9
665.44733	2.3
683.45984	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	682.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03895	0.3
55.05506	2.1
57.07071	8.0
57.07336	0.3
58.04195	0.3
58.06594	7.6
65.36245	0.2
67.05455	0.7
68.04994	0.3
69.03393	0.4
69.07059	2.3
70.06586	6.7
71.08625	4.0
72.04465	0.3
72.08158	1.3
73.02921	1.5
73.06528	0.5
79.05497	1.1
81.03369	0.3
81.07014	0.7
83.08626	1.4
84.08118	1.5
85.10188	1.9
86.06042	1.1
86.09697	2.0
87.04462	1.6
88.07611	2.5
89.06022	6.1
90.06340	0.4
91.05424	1.1
92.05741	0.3
93.06981	0.8
95.04932	0.4
95.08559	0.8
97.10127	0.7
98.06026	0.6
98.21502	0.6
102.09149	1.3
103.05447	0.5
104.05789	0.2
105.07024	7.2
106.07358	1.6
107.04914	0.3
107.08543	0.4
112.07624	0.4
114.09172	1.8
117.06955	0.3
119.08569	0.5
121.06506	1.3
121.10075	0.3
129.06902	0.4
131.08510	0.5
132.10124	0.5
133.08603	1.8
134.08868	0.6
146.11755	0.4
147.07996	1.0
149.09578	0.5
158.97588	0.3
160.97342	0.2
172.81531	0.2
177.11183	0.5
178.11467	0.3
229.66081	0.3
234.16931	0.4
252.15796	0.3
268.29959	62.6
269.30267	1.4
294.31564	1.4
296.33194	1.5
312.32556	6.0
330.19717	0.3
349.92108	0.2
356.35159	2.2
400.37820	1.8
444.40536	3.2
488.43027	1.9
532.45544	1.9
576.48181	0.3
664.53394	0.5
682.54559	100.0
683.55316	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	683.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73386	2.7
55.19200	2.4
57.07066	4.8
60.04522	2.8
65.78122	2.3
68.73898	2.2
69.07066	3.7
69.39234	15.2
69.39658	9.5
72.04516	9.8
79.05503	3.8
81.07042	2.7
83.99066	2.3
92.43880	2.8
104.63421	2.4
105.07027	11.5
114.32456	2.4
151.05641	2.5
263.61871	2.6
296.29456	33.3
306.50967	2.5
336.97177	2.4
364.64600	2.6
526.62073	2.4
560.86444	2.9
666.51385	7.4
683.43622	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.5458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.3
55.05503	0.8
56.05026	0.5
57.07072	5.1
58.04211	0.4
58.06596	3.3
67.05503	0.9
68.05019	0.8
69.03427	0.5
69.07071	1.0
70.06586	21.6
71.04985	0.5
71.08626	2.3
72.08149	3.8
72.45991	0.2
73.02908	3.3
73.06548	0.8
74.03229	0.4
79.05495	1.8
80.05478	0.5
80.55695	0.3
81.03439	0.4
81.07048	0.5
82.23822	0.3
83.08627	0.4
84.08136	6.0
85.10183	1.1
86.06071	1.2
86.09697	6.7
87.04457	3.0
88.04807	0.4
88.07628	4.3
89.06023	13.2
90.06368	1.2
90.56937	0.2
91.05472	1.6
91.06446	0.4
92.05846	0.3
93.07050	1.2
94.93184	0.3
95.04955	0.9
95.08621	0.4
96.08128	0.5
97.06509	0.3
97.10164	0.3
98.06074	0.7
98.09678	0.3
100.07598	0.4
102.06800	0.7
102.09178	3.1
103.05460	0.8
105.07022	13.9
106.07347	4.4
107.04966	1.1
107.07056	0.5
107.07720	0.4
107.08612	0.5
114.09155	7.3
117.06988	0.5
117.09119	0.3
119.08595	0.6
121.06479	2.4
121.07153	0.3
122.06852	0.5
129.07079	0.3
130.08627	0.4
131.07039	0.5
131.08553	0.6
132.08937	0.3
132.10242	1.0
133.08583	4.8
133.58798	0.3
134.08955	0.9
138.05597	0.3
146.11742	1.3
146.59491	0.4
147.08028	2.1
148.08405	0.6
149.09647	1.3
155.09918	0.3
176.12823	0.8
177.11249	1.5
177.12689	0.3
190.14400	0.5
220.15408	1.4
223.83652	0.3
225.12811	0.6
234.17050	1.1
252.26744	0.3
264.18051	0.7
266.28391	0.3
268.29980	2.9
278.19608	0.8
294.31534	4.8
296.33105	4.4
296.36230	0.4
308.20728	0.8
312.32581	11.1
313.32956	0.4
356.35168	5.8
400.37823	4.6
409.10443	0.3
444.40451	13.0
445.40744	0.5
488.43039	8.0
532.45709	7.4
576.48242	1.2
620.50873	0.5
664.43622	0.5
664.53510	1.1
682.54572	100.0
683.45111	0.5
683.55072	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	681.434
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43238	11.4
66.19210	8.1
98.21527	20.4
175.54630	9.5
179.34132	10.5
229.30760	12.9
321.00467	9.3
322.49881	9.9
347.18237	13.8
387.40274	9.8
399.84857	11.2
595.39752	19.6
681.43158	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.1
55.01875	0.9
55.05271	0.7
55.05511	9.3
57.03152	0.8
57.03434	7.3
57.07079	1.0
60.04518	1.2
65.03925	1.1
67.05503	30.3
69.03417	0.8
69.07065	6.9
69.55327	4.5
70.06580	2.4
71.04987	4.9
79.05490	15.3
80.69908	0.6
81.03405	1.0
81.07057	26.6
83.04971	1.1
83.08609	2.3
83.58486	0.6
85.02897	1.3
85.06541	0.9
88.07632	13.5
91.05487	6.9
93.06475	1.0
93.07041	17.5
95.04947	1.9
95.08607	20.4
97.06535	1.1
97.10146	1.0
98.20763	1.2
105.07014	4.3
106.08662	0.8
107.08601	7.2
109.10160	7.1
111.08121	0.6
117.06996	1.2
119.08589	3.3
121.10145	6.4
123.08089	0.9
123.11720	1.8
131.08559	2.3
133.10118	2.6
135.11679	3.6
145.10155	1.3
147.11705	1.4
149.13272	0.9
151.11179	0.6
159.11700	0.8
161.13214	0.9
173.13301	1.2
176.99318	0.6
185.01337	0.6
186.05267	18.6
234.94063	0.6
250.12904	0.9
312.08292	1.2
335.25790	100.0
336.26041	1.9
348.10532	18.3
349.00412	0.9
349.11157	0.6
367.96292	0.6
520.29858	1.1
571.90869	0.6
638.81757	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69360	0.2
53.03923	0.5
53.20369	0.2
55.01849	0.4
55.05516	1.5
56.05008	0.3
57.03388	0.9
58.96497	0.3
59.70403	0.2
61.02908	1.4
65.03896	0.4
67.05499	3.9
69.03416	1.3
69.07019	0.9
69.66564	0.5
69.66983	1.4
70.06586	2.6
71.39687	0.2
72.21040	0.2
74.06048	0.2
79.05457	0.7
81.03369	0.9
81.07053	1.7
81.63195	0.2
83.08545	0.5
83.09036	0.2
83.77264	0.2
84.04485	0.3
84.08089	1.0
85.02899	1.7
86.09661	1.1
89.05958	0.4
91.03927	0.6
91.05469	2.5
92.04474	0.3
92.04999	4.6
93.05736	1.2
93.06992	0.9
94.06509	0.9
95.04940	0.6
95.08562	0.6
97.02899	1.4
99.04403	0.3
101.02348	0.4
105.07004	0.7
106.06565	1.6
107.04947	2.2
107.08521	0.4
109.06482	0.3
109.10131	2.1
111.08067	0.3
112.75967	0.2
117.05746	1.6
118.06535	15.5
119.07333	1.6
119.08543	0.6
120.07386	0.2
120.08115	2.1
121.06449	0.7
121.10083	0.4
123.08038	0.3
127.03908	0.6
129.10182	0.8
130.06535	1.8
131.07251	0.5
131.08513	0.3
132.08066	2.1
133.08716	0.3
133.10130	0.4
134.05978	0.2
134.09627	0.7
136.07549	0.3
144.08020	0.8
146.09587	0.9
160.11186	0.3
162.09126	16.8
163.09921	4.8
163.11212	0.3
164.10674	0.9
173.11696	0.4
176.10719	2.0
182.01083	0.3
196.90939	0.3
202.15897	4.1
229.14291	0.6
230.15390	29.6
232.16849	0.3
246.18634	0.3
248.16492	1.3
262.17929	2.0
274.17993	1.1
286.18216	0.4
292.19052	67.3
293.19391	0.7
295.11475	0.3
299.86270	0.3
301.06943	0.6
304.19058	1.7
315.05042	0.8
322.20193	0.7
332.22223	0.9
348.21652	2.8
358.07159	0.3
469.84174	0.3
480.25864	0.3
510.26898	6.5
520.32855	3.8
540.25287	0.3
653.65515	0.3
682.37897	100.0
683.38507	1.5
709.03497	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.4
56.05035	0.5
56.96552	0.7
59.04983	0.6
60.04506	0.5
61.02909	0.4
65.96383	0.4
68.11637	0.4
69.03416	0.9
70.06590	4.8
71.33954	0.8
72.08152	0.8
73.02915	0.9
73.06535	1.9
84.04498	0.8
84.08138	1.2
85.02896	2.3
86.06080	0.4
86.09713	1.3
87.04463	10.5
87.16022	0.4
89.06025	100.0
91.05466	0.8
91.07604	0.6
97.02879	1.1
98.97543	0.5
99.04447	0.6
104.07081	0.6
107.04939	9.1
107.05611	0.7
107.07060	4.4
108.05302	0.5
110.07177	0.5
115.08723	0.4
116.73295	0.5
117.09135	0.8
119.04905	0.5
129.10294	0.5
130.08640	1.0
131.04932	0.9
131.07028	3.4
133.08591	62.7
135.10123	0.6
136.07526	0.5
137.05966	0.7
146.05962	0.4
161.05911	0.5
175.09671	2.6
177.00586	0.5
177.05441	0.6
177.11209	27.0
178.11632	0.5
219.12198	0.6
221.13837	4.1
223.15283	0.5
239.14740	2.3
265.16391	1.5
267.18033	0.5
283.17575	3.7
293.05380	0.4
309.18994	1.2
327.19992	2.0
327.26163	0.4
353.21484	1.1
371.22717	1.1
415.25198	1.7
459.27963	2.5
503.30579	23.5
593.23376	0.7
682.23279	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.05490	3.6
57.07076	22.2
67.05497	8.4
68.89478	2.0
69.03430	8.6
69.07066	3.3
69.78063	10.4
71.08641	14.7
81.03420	18.4
81.07061	13.0
83.08620	7.5
85.02917	11.3
85.10170	7.4
91.05486	3.1
95.08595	12.6
96.30428	2.0
97.02907	13.2
97.10136	4.0
99.04463	2.5
103.05483	6.6
107.04958	100.0
109.02889	10.9
109.10152	8.2
115.05516	2.2
116.49834	1.9
117.07033	3.4
119.04968	2.8
123.11721	3.2
127.03936	8.8
131.04947	24.9
133.06516	3.9
141.07010	5.0
145.05055	2.6
145.05312	3.2
145.06483	28.4
157.06534	5.5
169.06540	11.4
171.08051	2.5
186.36613	2.3
202.07838	4.2
207.07942	2.2
220.08858	4.9
235.11159	6.0
239.23743	7.1
245.09673	3.5
248.08412	2.5
251.10672	9.9
263.10703	26.9
265.12305	3.8
383.27792	12.1
406.84567	2.2
415.43494	2.5
681.42950	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	681.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57854	2.9
55.01855	10.5
55.05507	17.8
56.96548	4.0
57.03435	20.6
57.07061	3.7
59.04976	4.4
61.02914	4.4
65.03935	5.9
67.05498	92.6
69.03429	18.6
69.07053	14.9
71.04979	11.6
71.59978	2.9
79.05488	31.8
81.03404	25.4
81.07052	38.9
83.04972	14.1
83.08615	14.0
85.02896	10.7
85.06527	14.3
86.78237	2.6
87.04446	3.2
89.06022	3.0
91.05460	34.8
93.07044	35.1
95.04960	66.2
95.08593	29.2
97.02871	10.3
97.06519	7.4
97.10143	9.1
99.04448	6.7
100.52094	2.4
105.07041	29.7
107.04936	18.2
107.08607	19.6
109.02856	8.7
109.06507	53.6
109.10146	43.0
111.04425	9.5
113.06007	25.3
117.07030	12.8
117.07804	3.2
119.08568	19.5
121.06508	11.6
121.10136	10.7
123.08056	9.5
125.09584	7.9
127.03903	11.8
128.06197	3.2
129.06992	8.6
131.00014	8.2
131.08571	16.7
133.06490	5.7
133.10104	11.4
135.08034	44.5
135.11656	8.9
137.09625	6.5
140.98428	13.2
141.06940	3.1
143.00024	8.4
143.08527	8.4
145.01555	4.1
145.06480	6.1
145.10117	13.4
147.08025	7.8
147.11662	4.9
149.09599	7.1
149.13213	4.2
153.99242	3.4
155.00052	6.2
157.01602	4.5
157.10117	9.1
158.99565	3.0
159.08072	3.0
159.11703	8.6
161.01100	6.2
161.09631	6.8
163.00485	6.5
163.07658	2.8
163.11160	7.3
164.99565	6.6
165.02034	3.7
169.10069	3.8
170.99513	4.1
171.11707	7.4
173.11728	15.5
173.13150	5.1
174.98988	8.6
175.11211	3.0
176.98543	3.9
177.12767	4.6
183.03157	15.2
183.11572	3.0
185.01076	10.7
185.02646	4.0
189.00606	14.7
189.11218	4.8
191.00005	4.7
196.16714	3.1
199.02544	2.9
201.12544	3.5
203.02110	11.8
207.13786	3.3
211.13287	3.0
217.15839	12.7
219.65015	2.6
221.15294	7.2
229.14297	12.4
233.15306	4.1
255.17554	3.2
259.08749	3.0
273.18448	42.8
275.20135	3.7
276.06085	2.7
281.06851	11.8
291.19513	100.0
299.14722	5.2
334.93225	2.9
347.22165	11.4
351.18442	7.5
355.17465	5.8
365.23199	13.5
367.15384	5.9
368.15921	9.5
369.15756	88.0
371.15112	8.6
373.18539	21.7
440.04614	3.0
501.32260	13.9
519.33203	26.7
645.35931	7.9
663.37097	32.4
681.38409	11.6
682.34460	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	680.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	0.5
55.01831	0.4
55.05470	0.6
56.22757	0.3
57.03379	3.0
61.02896	0.6
67.05484	0.3
69.03426	1.8
69.53979	0.2
70.06593	4.9
70.57621	1.0
71.01328	0.3
71.04987	16.8
72.08099	0.4
73.02888	0.7
75.04417	1.0
81.03353	1.2
83.04909	1.2
84.08094	0.5
85.02898	22.2
85.03403	0.7
86.09625	0.4
87.04420	0.5
91.03924	0.3
93.34356	0.2
95.04945	0.5
97.02821	1.2
99.04398	0.8
105.06934	0.3
107.04970	2.3
108.05217	0.3
109.02848	0.7
111.04365	1.0
111.65486	0.3
120.08086	0.4
121.02806	1.2
127.03843	1.0
127.26306	0.3
129.05469	4.1
131.07983	0.3
133.06471	0.3
135.04347	0.3
137.02327	11.3
137.03375	0.6
145.04886	0.6
145.06487	0.3
147.04376	0.3
147.06454	0.8
149.02234	0.5
149.05908	0.2
161.05898	0.7
163.03835	0.9
171.04341	0.5
173.05855	0.3
177.01787	0.4
177.05417	0.9
187.03839	0.8
189.05327	1.1
197.05942	0.4
201.05380	0.8
205.04910	2.0
212.26035	0.3
217.04877	0.8
218.08005	0.3
219.06299	0.3
225.05493	0.3
235.07422	0.3
253.08553	0.7
261.03702	0.4
263.06866	0.6
271.05728	0.3
271.09573	0.3
281.07983	1.1
285.34509	0.3
299.05435	2.5
299.08771	0.5
303.04877	1.5
309.07556	1.7
311.05423	0.7
312.06381	0.4
313.07095	1.4
315.04935	10.9
323.05374	0.3
325.07037	0.8
326.04230	0.7
326.07571	0.3
327.04889	1.6
327.08600	4.1
329.06512	6.3
331.08142	0.3
336.08640	0.4
337.07040	5.2
339.05054	1.0
340.05838	2.0
341.06540	0.4
343.08163	3.8
345.05923	0.7
354.09705	12.1
355.08090	93.9
356.08508	1.0
372.10739	100.0
373.11182	0.9
414.12531	0.3
482.14526	0.4
498.13928	0.7
500.15494	0.4
516.14996	0.7
518.16864	1.4
534.16034	14.1
661.21173	0.3
662.20215	0.3
680.21777	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	681.166
Annotation	Kaempferol 3-(6G-malonylneohesperidoside)
Peak:m/z	Relative Intensity
53.03897	1.1
53.04118	0.3
55.01829	1.1
55.05485	0.2
56.05006	0.3
57.03388	1.7
61.02893	0.6
68.99760	0.7
69.03433	3.3
69.47776	2.3
70.01005	0.2
70.06591	3.7
70.81446	0.2
71.04993	7.0
71.05364	0.3
72.08096	0.3
73.02859	1.0
73.56454	0.3
74.39959	0.2
75.04445	0.5
81.03413	4.3
83.04945	0.7
84.04466	0.3
84.08086	1.0
85.02904	13.8
86.09654	0.8
87.00835	3.2
88.78197	0.3
91.03912	0.3
95.04915	0.3
96.53751	0.3
97.02892	2.6
97.99294	0.3
98.06006	0.4
99.04449	1.5
103.03887	0.3
105.01871	2.2
107.04308	0.2
107.04952	3.4
108.05234	0.3
109.02880	3.8
111.00751	0.6
111.04396	0.7
117.01831	0.6
120.08030	0.3
121.02868	1.9
127.03909	6.5
129.01781	0.6
129.05496	1.7
129.10196	0.7
133.02763	0.3
136.07558	0.5
137.02254	0.6
137.05931	0.3
145.04967	2.6
147.02834	0.5
153.01797	1.7
159.01888	0.3
159.02905	2.9
165.01772	1.0
183.02863	1.0
185.05870	0.3
189.04109	0.3
201.36456	0.3
213.05453	0.8
231.04933	1.1
241.04846	0.7
258.05328	0.7
271.11969	0.7
283.06146	0.6
287.05487	100.0
288.05786	2.6
299.05588	0.5
310.86258	0.3
329.06458	1.4
336.49100	0.3
353.06766	0.5
373.14133	0.4
397.09192	0.6
415.10504	0.4
418.14920	0.5
423.14285	0.3
433.11481	0.5
492.18182	0.3
503.55664	0.3
519.16003	0.4
519.24078	4.5
535.10614	0.8
681.29462	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	679.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49973	0.4
55.05498	1.7
56.98499	0.4
58.99849	1.1
66.87936	0.4
67.05497	0.9
69.07098	0.4
70.06590	0.7
70.37762	1.9
77.00900	6.5
81.07056	1.0
83.08606	1.2
84.72079	0.4
91.05470	0.7
93.07039	0.7
95.01942	4.7
95.08600	0.5
97.12802	0.4
98.92518	0.4
105.07049	0.6
107.08591	0.8
109.10146	1.0
121.10170	0.5
131.08575	0.6
133.03444	1.2
141.04004	0.6
145.89615	0.6
147.05057	0.5
155.05469	0.6
157.03445	0.5
159.05035	0.6
167.05568	0.4
169.07106	0.9
169.10706	0.5
169.99323	0.5
171.05011	1.0
173.06578	1.5
177.07542	0.5
181.07137	0.9
184.07213	0.5
185.06567	4.9
187.08168	1.7
189.06058	0.5
189.07651	0.7
191.07648	1.4
195.08681	2.3
197.06517	1.0
197.92694	0.5
199.08144	4.5
201.07758	1.0
201.09653	0.9
203.07610	10.8
203.09216	1.2
203.11223	0.6
205.09178	0.7
205.10818	1.1
207.08629	0.6
211.08105	1.5
213.07835	0.8
213.09718	7.8
215.09297	0.8
215.11130	0.8
217.09146	2.3
217.46222	0.4
219.08693	1.1
221.10239	3.1
221.27684	0.4
223.08337	0.5
223.11772	12.6
225.09723	1.4
226.09116	0.5
227.11282	0.8
229.09230	1.6
231.08685	0.8
231.10695	1.0
233.10196	2.4
237.09697	1.0
239.11322	6.3
241.12827	6.6
243.14450	0.6
246.13478	0.8
248.62561	0.5
249.09746	1.9
251.11301	13.3
253.12907	0.6
255.10820	0.8
257.12354	1.9
259.13885	1.1
263.11154	0.5
267.10883	0.8
269.12369	9.4
274.12970	1.3
291.18076	1.2
297.17047	0.6
309.19073	0.8
315.18042	7.2
333.19070	23.4
334.19336	0.8
351.20139	100.0
352.20425	1.8
356.20779	1.1
369.21225	34.8
370.21448	0.8
385.18979	0.8
386.18692	0.6
387.20316	0.6
392.22833	7.5
466.46039	0.5
585.21246	0.5
679.42029	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.5118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08776	15.6
51.94754	16.1
55.05495	32.9
57.07081	21.3
61.50533	15.0
67.05502	21.7
73.68425	16.8
81.07085	19.2
83.08623	35.9
86.09729	20.0
91.05445	16.2
93.07018	18.6
95.08602	18.9
100.11269	100.0
107.08595	28.9
114.58793	15.4
124.99976	20.5
125.84536	20.2
162.89375	18.7
182.15404	40.5
184.07362	73.9
210.14891	41.4
252.15886	19.4
442.10516	16.7
481.54056	17.3
633.76190	16.3
679.42621	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.9
55.05724	0.4
56.07563	0.3
56.96577	0.4
58.99862	0.8
65.72691	0.4
67.05493	1.1
70.06585	1.0
70.37167	1.1
71.08615	0.4
73.29424	0.4
77.00911	6.8
79.05492	0.6
79.70236	0.4
81.07059	0.7
83.08617	1.4
91.05471	0.9
95.01956	5.3
95.08597	0.6
97.70391	0.4
102.48183	0.5
105.39151	0.4
107.04943	0.6
107.08617	0.7
109.10114	0.5
115.02422	0.7
117.07009	0.7
119.08612	0.5
121.10222	0.5
129.04027	0.6
131.01863	0.6
131.08540	0.9
147.04922	0.5
153.03957	0.5
155.05547	0.5
155.40732	0.4
159.05029	0.6
159.08543	0.4
167.05659	0.6
169.07074	0.5
171.04987	1.1
173.06613	1.5
181.06979	0.9
185.06569	5.2
187.08139	2.3
189.07672	0.7
189.09760	0.6
191.07668	1.2
195.08682	2.6
197.06723	0.4
199.08171	5.7
201.07651	1.4
201.09528	0.8
202.77585	0.4
203.07642	13.5
203.09229	1.0
204.07957	0.5
205.09087	0.7
205.10782	0.8
207.08658	0.8
208.08165	0.7
211.08142	1.3
213.07848	0.7
213.09743	8.0
215.09315	0.8
215.11194	0.8
217.09218	2.3
219.08702	1.2
221.10158	2.7
223.11801	12.8
224.12094	0.6
225.09810	1.7
227.11430	0.6
229.09293	1.3
229.12978	0.8
231.08650	0.7
231.10829	1.2
233.10098	2.7
235.11823	0.7
236.11101	0.5
237.09746	1.4
239.09151	0.6
239.11334	7.1
241.12863	7.6
243.10728	0.9
243.14452	0.7
246.13406	1.0
249.09731	1.5
251.11311	11.9
255.10756	0.9
257.12418	2.2
259.13910	1.5
267.10883	1.1
269.12335	8.9
270.12677	0.4
274.12918	1.1
291.18256	0.8
309.19342	0.6
315.18066	6.4
333.19116	22.0
334.19385	1.0
351.20163	100.0
352.20605	2.4
353.20364	0.6
356.20633	1.4
367.18127	0.5
369.21249	32.9
370.21436	1.1
374.21686	0.7
385.18997	1.0
392.22824	8.0
679.42773	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	679.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75685	0.2
55.05515	0.5
58.99860	1.5
61.02907	0.3
67.05493	0.8
69.07059	1.2
70.06572	0.5
70.30905	0.4
70.31257	0.7
72.08136	0.4
77.00904	9.0
79.05475	1.7
81.03399	0.4
81.07043	3.7
83.08614	0.9
85.02883	0.3
86.09718	0.3
91.05466	0.7
93.07039	0.5
95.01363	0.4
95.01942	5.8
95.04980	0.5
95.08595	0.5
97.10170	0.3
98.20784	0.2
100.02467	0.3
105.07042	0.7
107.04962	1.3
107.08595	0.5
109.06480	0.5
109.10148	0.3
115.02419	0.5
117.07005	0.3
119.08583	0.4
121.10144	0.5
123.11710	0.3
129.03986	0.2
131.01880	1.4
132.02658	0.4
134.06000	0.4
138.09006	0.3
143.05550	0.3
145.03424	0.3
147.05037	0.5
149.02878	0.3
157.03459	0.6
159.05009	0.4
161.06563	0.4
167.05547	0.4
171.05022	0.7
173.06604	1.1
175.04370	0.3
179.09045	0.4
182.04214	0.3
183.05051	0.4
183.08652	0.3
185.06577	4.9
185.08141	0.4
187.04565	0.2
187.08205	1.1
189.09647	0.3
189.11299	0.3
191.07655	0.5
191.09177	0.4
195.04999	0.3
197.10191	2.8
199.08110	0.5
201.09706	3.3
203.07622	2.1
203.09151	0.4
205.09154	0.5
205.10800	0.6
207.05074	1.7
207.12273	0.5
209.06584	0.5
209.10228	1.6
212.05177	0.3
212.08998	0.2
213.09691	2.6
215.11270	22.2
217.10785	1.4
219.10738	2.4
221.06613	1.1
221.10237	0.9
223.08231	0.4
223.11777	1.8
225.06082	0.5
225.09747	0.9
225.13327	1.7
226.10568	0.3
227.11272	4.3
229.09373	0.3
229.12814	0.5
231.10744	3.5
231.12500	0.3
231.14447	0.3
233.10382	0.3
233.12308	7.8
235.08157	0.3
235.11737	4.2
237.09744	0.3
237.13379	0.6
238.12912	0.8
239.07640	0.5
239.11259	5.0
241.09102	0.4
241.12860	4.7
243.14395	14.0
244.14935	0.2
245.10187	0.4
245.12288	1.4
245.16092	0.3
248.14996	0.3
249.13359	0.4
251.11288	0.7
253.12831	26.1
254.13161	0.3
255.14317	1.2
257.12332	6.1
258.13324	0.5
259.13879	0.6
261.15436	4.6
262.12949	0.6
263.11252	2.5
264.12125	1.5
265.12906	0.5
266.16034	0.5
267.14212	0.4
269.12524	0.4
271.13873	29.4
272.14066	0.3
276.14426	2.1
277.16479	0.5
279.18005	0.4
281.12299	5.1
282.13055	2.1
283.13913	0.6
289.16644	0.5
291.14407	0.7
291.18021	1.3
293.16385	0.3
294.15445	1.1
295.17487	0.5
297.16757	0.3
299.13446	1.2
303.18289	0.3
304.14145	0.3
305.19470	0.4
309.15701	0.5
309.19086	1.2
315.17996	7.4
321.18924	0.3
333.19070	26.1
334.19250	0.4
351.20126	100.0
352.20273	1.1
356.20691	1.8
367.17596	0.3
368.22836	0.3
369.21198	28.4
370.21353	0.4
374.21768	1.4
377.14874	0.4
392.22778	7.4
393.23090	0.3
529.57947	0.2
542.22601	0.5
563.34070	0.6
585.26013	0.3
661.40796	1.0
679.31549	1.0
679.42590	6.2
679.80951	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	0.3
56.96553	0.3
58.26179	0.3
59.04996	0.9
67.05498	0.3
69.03424	0.8
70.06586	2.1
70.57113	0.4
70.57457	0.6
71.04996	0.4
72.08141	0.6
73.02911	1.2
73.06557	2.6
73.46832	0.3
84.04496	0.4
84.08168	0.9
86.09706	1.0
87.03912	0.5
87.04465	17.0
89.06026	100.0
90.06374	0.3
91.07587	0.5
98.69963	0.3
105.06966	0.2
107.04971	1.3
107.07066	3.4
110.07146	0.5
113.05968	0.4
117.09109	1.7
120.08088	0.5
129.10201	0.4
130.08636	1.2
131.07037	4.6
133.08595	53.9
135.10146	0.4
136.07564	0.3
137.05966	0.3
138.09123	0.3
161.11702	0.4
166.08630	0.4
175.09657	2.3
177.11209	13.2
219.12224	0.3
221.13828	1.2
239.14923	0.4
251.09143	0.4
283.17493	0.3
288.86508	0.3
306.65298	0.3
319.13049	0.3
496.39221	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18799	2.5
55.05517	22.4
57.03434	8.8
57.07074	9.5
59.25972	2.1
59.41021	2.3
61.02924	18.4
65.03954	2.8
67.05504	79.8
69.03418	3.8
69.07072	28.8
71.08618	5.2
73.02911	7.0
79.05492	23.0
81.07059	100.0
83.04982	3.5
83.08620	23.3
85.02916	19.6
85.06571	2.3
85.10167	3.1
91.03958	19.5
91.05474	16.1
93.07050	25.5
95.08608	85.3
97.02884	10.2
97.06538	9.0
97.10171	16.0
99.08050	3.5
105.07030	13.6
107.08595	19.8
109.10167	37.4
111.08076	3.1
111.11755	4.3
113.09651	3.2
119.08592	12.4
121.10133	24.5
123.11698	21.9
125.13327	3.0
127.03930	6.5
127.11180	2.7
133.10117	18.2
135.11674	11.4
137.13252	12.0
139.11189	2.4
141.12750	3.6
145.04941	5.9
147.11647	11.1
149.13278	11.7
151.14803	8.2
155.14362	2.7
161.13275	15.1
163.06023	10.4
163.14809	11.0
165.16399	10.8
175.14821	9.3
179.17950	7.6
188.09338	2.2
189.16391	5.7
203.17801	3.6
245.22664	70.8
263.23709	83.1
337.27341	63.7
337.31152	4.5
355.28497	4.8
422.33368	2.1
450.09109	2.3
486.25400	2.3
499.32642	6.7
595.13477	2.3
701.80377	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	679.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03977	0.9
55.05504	7.6
60.24842	0.8
65.03910	1.0
67.05500	1.7
70.06593	3.2
70.72399	2.5
79.05491	2.5
80.05016	0.8
81.07051	1.0
82.06575	3.5
83.08623	5.7
91.05486	2.6
93.07047	3.7
94.06574	7.4
95.07370	3.9
96.08126	11.4
97.06541	1.4
98.09677	1.0
98.97587	1.7
100.07626	2.3
100.11250	38.2
102.05571	0.8
103.05494	1.2
106.06563	3.2
108.08099	13.4
108.08755	1.1
110.06030	1.7
110.09673	16.9
110.10371	1.2
111.04455	5.3
112.07662	1.8
116.04971	1.7
116.98627	1.6
118.06537	0.9
120.04469	2.7
120.08102	14.3
122.06026	6.9
122.09692	0.9
124.07574	9.8
126.09177	1.6
128.07111	3.6
128.71252	0.7
132.08150	1.2
134.06029	2.4
134.09708	1.1
136.07582	14.0
138.05530	1.1
138.09129	24.5
139.08670	2.6
140.07054	2.1
144.04491	4.8
146.06017	9.1
146.09660	2.9
148.07571	7.3
150.09116	11.6
152.07072	9.8
160.03937	1.6
160.07634	2.1
162.05522	2.9
162.09180	2.3
164.07065	11.6
166.08629	40.5
170.09799	0.8
172.03932	28.7
172.05405	1.6
174.09254	1.2
176.07054	0.9
182.08159	8.1
182.15388	15.1
182.16757	1.2
190.04979	9.3
192.10182	1.2
198.11594	3.2
199.12337	1.7
202.22397	0.9
204.06552	75.5
205.06853	1.1
206.08170	1.5
209.10738	1.3
209.16451	13.8
210.11572	2.5
210.14876	19.0
211.12224	4.0
213.10368	1.1
218.08174	1.9
221.10786	0.9
222.11542	1.4
223.12305	3.4
224.09422	1.0
224.13124	1.1
225.10301	3.8
226.11040	2.5
226.19232	2.4
227.11807	3.6
227.13921	0.8
227.17502	2.1
235.08719	2.6
235.12384	1.4
236.09378	1.9
237.10179	6.8
237.13905	2.1
238.10872	5.8
239.11708	10.0
241.13448	1.0
245.12863	1.3
248.09561	2.3
249.10258	11.8
250.10980	7.7
251.08157	1.3
251.09053	1.3
251.11757	12.0
252.12589	3.8
253.09747	1.6
253.13284	4.2
255.11365	1.9
256.12128	1.2
257.12802	1.7
259.14505	1.0
262.11102	0.9
263.11765	29.1
263.14386	1.8
264.08948	2.7
264.12540	6.9
265.09827	4.6
265.13419	12.5
266.10611	3.4
267.11240	9.5
269.12793	4.1
271.10834	1.8
271.14459	3.2
273.12466	2.7
275.11823	1.7
276.08948	1.4
277.09805	3.4
277.14786	1.1
278.10468	3.1
279.11258	24.5
280.11911	2.3
280.50735	0.9
281.12781	10.6
282.10083	2.7
282.13379	1.1
283.10797	2.7
284.11728	2.4
285.12286	8.4
287.13940	3.0
291.11273	19.0
292.12021	4.3
293.12839	16.3
295.10870	3.8
295.15826	1.1
296.11475	1.2
297.12314	34.3
298.12936	2.5
299.13879	11.9
304.08325	1.2
307.10794	1.6
309.12323	27.5
310.13086	1.8
311.10541	1.5
311.13998	6.4
315.13348	13.5
319.10748	13.5
321.12399	3.0
323.10278	4.8
325.11823	20.4
325.15396	1.2
326.27979	2.9
327.13577	2.5
330.15964	1.0
336.22687	1.2
337.11810	60.2
338.12399	2.0
339.13553	3.1
341.11407	1.7
342.16391	0.9
343.13095	2.8
351.13498	1.0
355.12973	8.8
356.13635	1.8
357.14417	10.4
369.14386	9.6
371.16031	2.2
373.13934	15.6
390.18018	1.6
398.14972	1.2
399.15787	1.2
401.13794	2.6
404.19952	1.6
416.15933	1.6
420.18744	1.2
430.17578	2.2
432.19193	1.3
435.18179	1.1
439.20343	1.5
444.19284	1.7
446.20786	2.9
448.18594	1.2
449.19583	2.4
450.20389	3.4
458.17258	2.2
462.20050	6.2
464.22043	23.2
465.22659	1.2
476.18143	3.3
478.19476	1.4
482.19260	1.8
490.19724	40.9
491.20212	3.7
508.20837	4.1
514.21930	1.4
522.22333	100.0
523.22687	5.0
587.24811	1.7
587.33264	1.1
603.28082	1.9
611.25165	6.8
619.26563	3.4
629.25720	5.5
643.27216	1.2
647.27075	15.0
648.27411	1.0
661.50323	6.8
679.30554	3.2
679.51105	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44910	0.4
57.37429	0.4
59.31297	0.4
60.27798	0.4
62.87268	0.4
63.54601	0.4
68.05016	0.5
70.09582	1.0
70.09977	1.0
71.03909	0.5
84.01976	0.4
86.09675	0.9
86.12737	0.5
91.05479	0.8
97.09332	0.4
107.04933	0.6
115.05453	1.2
117.05775	0.5
117.06979	1.0
118.06544	16.8
130.06549	1.3
132.08087	5.7
133.06480	1.0
142.06537	2.2
143.07358	2.4
144.08087	11.9
146.06007	56.0
147.06406	0.5
159.09169	5.9
160.07620	0.6
170.06013	4.2
188.07063	100.0
189.07451	0.7
205.09726	38.4
253.13055	0.4
300.07919	0.4
527.95740	0.6
620.98987	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.2
56.05033	2.0
59.12471	2.0
70.06588	31.1
70.64259	7.5
72.08148	7.9
82.06580	3.3
83.08620	4.2
84.04492	5.5
84.08136	10.3
85.02881	3.3
86.09725	12.1
91.05506	3.4
93.07041	6.9
94.06607	9.3
95.07347	7.2
96.08128	14.8
100.11260	13.1
102.05595	1.9
103.05488	1.9
106.06551	6.0
107.04964	7.4
108.08117	17.0
110.09682	21.5
120.04456	5.0
120.08105	24.0
122.06043	6.7
124.07597	11.1
129.10249	4.8
130.05002	2.6
136.07588	22.9
138.05569	2.3
138.09134	35.1
144.04457	4.5
146.06006	22.8
146.09612	2.4
148.07558	10.7
150.09149	9.0
152.07054	12.9
162.05389	2.1
164.07086	7.3
166.07234	3.5
166.08646	74.2
167.08122	2.3
172.03931	18.9
182.08107	2.6
182.15392	3.9
183.09309	2.2
190.04959	15.0
197.10725	2.6
198.11563	3.0
204.06534	28.2
204.10199	1.9
207.09117	2.2
209.10690	4.2
209.16533	3.6
210.11520	4.2
210.14861	6.9
211.12364	8.4
218.08206	5.3
221.96996	1.8
223.12274	6.6
224.09036	1.9
225.10252	6.8
225.13907	2.8
226.11180	3.6
226.19078	2.3
227.11777	4.8
235.08727	3.8
235.12239	2.5
236.09390	4.4
237.10251	9.6
238.11069	9.4
239.11768	14.2
241.13431	2.5
245.12770	2.4
248.09323	3.2
249.10190	15.5
250.10930	11.4
251.11787	21.7
252.12645	3.9
253.09755	3.8
253.13412	4.6
255.11292	2.6
256.11856	2.4
263.11765	36.5
264.08630	2.2
264.12549	3.2
265.09775	5.9
265.13382	16.5
266.10544	5.4
266.13809	2.0
267.11322	14.4
267.14163	2.3
269.12845	8.3
271.14413	4.2
273.12439	4.5
275.11713	3.6
277.09808	3.4
278.10605	3.5
279.11270	30.5
281.12869	14.5
282.09915	3.3
283.10818	7.8
283.14136	2.5
284.11627	3.2
285.12350	14.3
287.13950	4.7
291.11218	24.9
292.12000	6.1
293.12869	24.7
295.10815	6.1
296.11563	4.0
297.12326	45.6
298.13303	3.3
299.13867	27.8
305.14999	2.4
307.10638	3.4
309.12308	31.9
310.13019	2.0
311.10428	2.8
311.13751	9.3
315.13397	33.8
319.10651	20.7
321.12302	5.5
323.10165	6.8
325.11838	29.5
327.13467	4.2
337.11823	98.4
339.13449	4.6
343.12888	7.3
355.12717	2.8
357.14447	13.3
369.14584	6.6
371.15955	2.7
373.14203	4.7
401.13309	6.8
405.15247	2.4
446.16373	4.0
446.21609	2.8
448.18622	2.9
449.19382	3.9
450.20117	8.1
458.16992	3.9
462.20206	6.8
464.22046	63.0
472.18701	4.1
474.19666	2.5
476.17999	8.0
482.18781	3.1
490.19727	100.0
491.20001	6.8
492.20956	4.7
508.20850	9.9
520.16638	3.0
522.22406	49.6
523.22736	4.6
587.25336	4.5
611.24860	8.3
629.25952	11.5
647.27100	28.8
661.49536	2.3
679.29498	4.6
679.51031	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	679.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32481	1.4
55.93523	4.0
56.94313	1.7
56.96558	3.5
61.79351	1.2
70.06584	15.0
70.95837	1.4
71.58482	1.6
72.08149	3.6
72.93784	9.5
79.05494	3.5
81.03410	1.7
84.04496	3.9
84.08174	6.1
86.09707	5.0
90.94816	7.4
91.05476	1.8
98.97549	7.1
103.05457	5.2
105.07028	17.5
107.04966	5.2
108.95843	2.3
110.07170	3.7
115.05450	16.8
115.08671	1.6
116.98595	7.8
120.08127	2.8
129.07021	2.0
129.10269	2.7
131.04918	13.1
132.95859	6.7
133.06491	73.4
134.99638	6.3
136.07594	3.0
144.95828	13.9
145.06471	1.9
146.99677	1.8
150.96909	6.5
155.04909	3.8
157.06517	4.5
158.97379	2.8
162.96896	23.4
162.98216	0.9
174.96866	9.9
177.00746	2.5
178.97882	1.5
182.61249	1.5
185.77287	1.4
186.96925	2.9
188.99905	3.5
192.99443	1.9
202.97939	3.4
203.98672	16.8
204.00438	1.8
204.99530	8.8
207.01051	6.1
216.97948	2.1
218.97418	3.1
219.01176	3.5
220.98898	8.7
221.99734	13.0
223.00568	2.8
223.02786	7.5
228.99496	1.9
234.98987	4.8
236.98422	3.1
237.02872	2.1
237.98973	1.4
239.00087	2.5
241.03754	2.5
242.97116	1.6
245.06331	1.9
247.00539	100.0
248.00880	1.6
249.04358	2.9
259.00525	63.9
260.00818	1.5
260.98560	2.0
265.01566	8.7
265.03979	4.7
266.03369	1.5
277.01532	9.5
288.03271	3.7
295.01102	5.3
300.03152	4.6
307.02582	28.2
307.05396	2.3
322.93698	1.3
349.03494	1.6
367.04691	59.2
408.07153	2.0
499.10583	3.9
559.14026	2.4
679.20978	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	678.4935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	8.8
55.05503	37.6
57.03428	13.9
57.07067	14.4
58.32986	6.8
65.03946	7.0
67.05499	100.0
69.07054	34.8
69.95404	39.1
79.05490	79.0
81.07062	91.7
83.08601	30.0
91.05483	75.1
93.07042	94.1
95.04970	19.0
95.08604	60.9
97.06512	16.9
97.10153	10.2
97.87106	7.4
98.20814	9.9
105.07026	79.7
107.08581	39.1
109.10188	33.7
117.07001	31.2
119.08573	62.5
121.10138	26.3
121.79295	7.7
123.08015	15.7
124.99976	11.8
129.06975	23.0
131.08574	34.6
133.10133	39.3
135.08078	8.9
135.11664	21.9
143.08521	13.6
145.10120	33.8
147.11656	32.9
149.09538	6.9
149.13187	16.8
151.07738	7.5
155.08562	10.2
157.10146	24.0
159.11690	23.0
161.13239	15.0
163.11035	7.5
169.10034	8.9
171.11639	9.9
173.13257	13.1
175.14821	12.3
183.11600	9.2
184.07321	56.2
185.13170	10.7
186.07755	7.8
197.13190	11.0
255.15945	12.7
259.20520	34.2
275.20065	8.9
315.23160	9.4
320.70084	8.5
333.24124	23.8
493.89655	7.9
513.35864	11.5
515.38416	9.3
527.37158	19.7
607.43201	19.5
625.44678	15.3
642.00629	7.5
678.47882	8.3
679.42432	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	678.478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
55.05503	1.2
56.64494	0.5
57.07075	22.5
59.04997	0.9
67.05503	0.8
69.03451	0.6
69.07063	2.3
71.08631	38.5
73.02908	0.7
73.06560	3.0
79.05502	0.7
81.07051	1.0
82.36226	0.5
82.40914	0.6
83.08635	0.9
85.10179	20.0
87.04464	21.3
89.06028	100.0
91.05475	12.5
91.06009	1.1
93.07037	6.8
95.04941	2.9
95.08604	0.9
103.05447	1.5
105.07022	5.1
107.04955	3.4
107.07075	3.0
107.08609	3.8
109.06513	1.1
117.07008	2.0
117.09141	1.3
119.04937	3.3
119.08569	5.1
120.55259	0.5
121.06500	22.7
121.10150	1.7
127.14797	2.1
130.08627	1.3
131.07039	8.4
131.08562	1.1
133.08597	63.6
135.08058	5.4
135.10143	0.6
135.11691	1.4
136.05222	1.4
145.10126	1.2
147.08043	10.9
147.11739	0.7
149.09608	6.0
150.06776	2.9
159.11659	0.8
163.11194	4.2
165.09111	8.1
167.10628	2.8
175.09618	4.0
177.11223	23.1
177.12611	1.1
179.12938	0.6
190.97284	0.6
191.10704	3.5
193.12244	1.8
209.11742	4.0
211.13268	3.2
219.12338	1.4
221.13771	4.2
235.13330	2.5
239.14874	0.6
247.20554	18.1
255.16011	1.8
265.16418	0.9
273.22046	4.1
279.15921	1.5
279.18826	0.6
283.17502	1.8
289.25339	1.6
291.23166	30.8
297.17087	1.0
299.18497	0.9
309.19006	1.3
317.24802	2.4
327.20078	1.1
335.25754	7.2
431.85812	0.7
447.25812	0.9
535.30920	4.0
600.74670	0.6
615.59973	0.7
617.42615	0.9
661.45282	6.3
678.47809	5.0
709.26831	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.2
55.05497	0.7
56.05019	0.7
57.61615	0.2
58.06583	0.7
65.69642	0.2
67.05491	0.9
68.05019	1.8
69.07043	0.4
69.80331	0.5
69.80738	0.9
70.06584	41.4
72.04495	0.2
72.08145	6.7
73.02903	0.7
73.06540	0.3
75.91742	0.2
79.05054	0.2
79.05486	0.6
81.03403	0.3
81.05811	0.3
81.07047	0.3
82.53397	0.2
84.04495	0.4
84.08134	4.8
85.02898	0.6
86.06065	0.3
86.09698	2.0
87.04447	0.8
88.07627	2.6
89.06023	7.6
91.05445	0.4
94.06593	0.3
95.04974	0.4
96.08110	2.0
97.02898	0.2
97.10107	0.2
98.09686	0.7
98.97577	0.3
100.07671	0.2
102.92056	0.2
107.04937	2.2
107.07090	0.3
109.10155	0.7
112.07603	0.7
114.09154	37.7
116.10750	0.6
120.08128	0.3
125.09663	0.4
126.75797	0.2
129.10188	0.3
132.10172	1.4
133.08578	0.5
136.07596	0.4
137.02312	0.7
158.11748	1.2
173.11758	0.3
176.12794	2.9
177.05518	0.3
202.14371	1.0
220.15437	1.2
229.14351	0.9
246.16962	0.5
264.18030	2.9
308.13007	0.2
308.20642	3.8
315.05176	0.4
319.17523	0.5
352.23254	4.1
393.35510	0.2
394.28354	0.2
396.25940	3.3
430.11560	0.5
440.28647	1.9
484.31186	0.9
522.79077	0.2
636.07764	0.2
678.42621	100.0
679.43256	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	677.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.8
55.05508	12.5
57.03433	4.8
57.07064	3.1
61.02925	27.9
63.40963	2.0
67.05504	69.3
69.03416	5.7
69.07068	15.5
69.35146	2.5
71.59098	2.6
73.02907	8.7
76.80173	2.2
79.05492	50.7
81.07057	80.7
83.08632	5.5
85.02905	31.6
91.03954	27.8
91.05485	23.6
93.07043	61.8
95.04968	4.7
95.08604	58.4
97.02881	13.6
97.10161	4.3
105.07039	19.4
107.08595	40.3
108.62159	1.9
109.10150	37.1
109.94308	2.2
111.08088	2.4
115.03967	2.0
117.07042	10.3
119.08588	18.2
121.10149	34.3
123.11731	19.2
127.03914	7.1
131.08572	24.6
132.16411	2.4
133.10104	17.2
135.11685	34.5
137.13251	7.7
145.04953	11.6
145.10121	15.1
147.11688	13.5
149.13257	25.2
159.11690	14.0
161.13264	9.4
163.06001	18.9
163.14824	19.6
165.12813	3.1
173.13255	20.1
177.16417	5.5
187.14810	12.4
201.16388	3.5
233.22566	4.1
243.21066	40.7
261.22141	100.0
279.23322	3.0
335.25897	20.8
353.26877	33.0
358.16357	3.3
382.95810	2.3
438.29291	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	677.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.7
56.05024	0.7
56.96567	26.7
69.84586	0.8
70.10329	2.4
70.46888	0.7
71.95248	1.0
72.96034	0.7
79.05515	1.0
83.08641	0.8
84.08129	1.1
84.96018	1.5
86.09718	1.2
91.05467	0.8
105.00190	0.9
107.04939	0.9
123.01189	1.3
128.98592	1.5
130.20990	0.8
131.00140	0.9
133.01747	0.9
137.02757	0.8
141.02264	1.8
146.99707	1.1
153.02242	1.4
155.03807	1.3
157.01741	1.8
159.03281	1.9
169.01712	2.1
169.05388	0.9
171.03317	3.1
175.02841	1.0
179.03909	0.8
181.05396	1.4
183.03285	1.4
185.04871	3.0
187.02791	1.1
189.04329	2.1
191.05798	0.7
193.03786	1.0
193.05399	1.6
197.04872	6.9
199.06401	4.0
201.04381	9.2
203.04155	0.9
203.05859	4.1
209.04895	1.7
209.08617	1.1
211.06442	2.7
213.08040	1.4
215.05855	6.7
217.05367	2.9
217.07509	5.8
219.05321	6.1
221.08496	1.4
223.02838	0.8
223.06439	2.1
225.08012	1.7
227.05882	1.7
229.05498	0.9
229.07500	2.3
231.06956	0.9
231.08917	1.1
233.07001	1.7
235.06461	3.3
237.08009	12.4
239.09583	10.7
241.07439	1.7
241.11104	0.9
243.09059	1.2
245.10451	0.8
247.06459	1.5
249.08029	11.1
253.07530	4.7
255.09068	19.0
257.10617	3.0
260.09723	1.0
265.07574	1.0
267.09052	25.1
269.10608	2.3
271.08557	2.4
273.10150	3.1
285.10114	20.9
287.11688	1.1
290.10715	2.8
308.11673	1.3
331.15768	8.8
349.16898	16.7
351.20203	2.1
367.17914	87.4
368.18445	2.0
372.18600	1.3
385.19000	100.0
386.19183	2.3
408.20544	15.5
423.77686	0.8
558.82574	0.9
659.38574	1.5
677.37292	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
71.60244	0.3
91.05486	0.2
104.41920	0.2
105.07022	0.2
161.03125	0.2
164.69264	0.2
185.04237	0.7
194.16954	0.2
203.05232	0.2
259.07864	0.3
333.25021	0.3
347.09610	1.2
349.67007	0.3
353.26685	0.2
365.10690	0.2
515.31915	20.0
516.32343	0.7
677.37152	100.0
678.37579	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
71.19768	1.0
71.20126	0.6
73.33491	0.4
77.60892	0.4
89.46633	0.5
95.08604	0.7
101.67893	0.5
118.20146	0.5
127.14877	0.5
132.49637	0.5
185.04236	1.0
193.58684	0.5
347.09427	1.0
515.31934	20.8
516.32477	0.6
677.37122	100.0
678.37646	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	677.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.3
56.44617	0.2
57.07076	0.5
59.25536	0.3
67.05508	0.4
70.10178	0.8
71.08643	0.3
74.01730	0.3
81.07036	0.4
84.64038	0.2
91.02070	0.2
95.04942	0.3
95.08589	0.4
100.66759	0.2
102.09158	0.4
110.07126	0.3
111.33141	0.3
166.53735	0.3
184.07428	0.4
185.04301	0.7
193.04927	0.3
201.06177	0.3
203.05302	2.0
227.20061	0.3
256.26312	1.3
259.07968	1.5
305.08264	0.4
347.09482	1.1
365.10550	3.4
421.13303	0.8
515.31934	20.4
516.31854	0.4
623.43378	0.3
677.37158	100.0
678.37427	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	677.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.3
55.05508	17.7
57.03420	9.0
57.07065	3.9
61.02921	19.0
65.03917	4.5
67.05503	82.8
69.03416	3.6
69.07074	15.5
69.79075	11.0
71.05005	2.9
73.02906	6.3
79.05489	46.2
81.03401	2.3
81.07056	93.1
83.08604	8.2
85.02907	25.6
85.06532	3.6
91.03950	22.1
91.05480	21.9
93.07042	61.3
95.04965	5.1
95.08603	81.3
97.02900	12.5
97.10160	6.9
105.07029	19.0
107.08586	37.5
109.02877	2.8
109.10149	33.2
117.07003	11.3
119.08574	21.6
121.10139	40.5
123.11713	22.4
127.03880	5.0
127.65886	2.2
129.05396	3.0
131.08577	25.5
133.10118	14.4
135.11687	31.7
137.13235	6.0
145.04924	9.5
145.10136	15.4
147.11720	13.2
149.13266	17.6
151.14818	3.5
153.52292	2.6
156.03656	3.4
159.11684	17.9
161.13251	14.5
163.06020	12.1
163.14815	13.0
165.12788	2.8
173.13251	19.5
175.14818	3.8
177.16342	4.5
187.14819	9.2
210.18874	3.0
230.25235	2.4
243.21101	34.5
261.22137	100.0
279.23227	5.2
311.88718	2.4
335.25839	38.0
335.29498	4.6
353.26810	30.9
358.16367	11.0
497.31113	5.0
548.50629	2.7
659.03033	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	677.3653
Annotation	Dianthin C
Peak:m/z	Relative Intensity
51.43045	0.3
51.75698	0.2
67.01617	0.4
67.05495	0.5
68.02393	0.4
69.07059	0.4
69.74229	1.1
69.74637	0.7
70.06567	0.2
79.05474	0.4
81.07054	0.3
81.30773	0.2
83.01098	7.2
89.60938	0.3
91.05455	0.6
93.07027	0.4
95.08572	0.3
97.02628	0.3
98.03481	0.3
105.07014	0.4
110.03401	0.5
111.04198	9.1
112.04984	1.0
113.05751	0.8
125.05721	0.4
127.03667	10.6
131.08594	0.3
139.07318	1.5
141.05209	1.7
142.06015	0.6
144.03926	1.0
145.10036	0.3
155.06776	11.4
156.07587	0.5
169.08426	0.4
171.06277	9.5
172.07063	0.7
183.09920	1.3
185.07808	0.5
188.06577	1.5
199.09389	3.9
200.10187	0.6
201.07281	0.3
202.08209	0.5
213.11092	0.3
215.08899	2.9
216.09683	0.8
224.86568	0.3
227.12596	1.0
229.10419	0.4
232.09212	0.7
243.12000	6.0
243.14291	0.3
257.13651	0.4
259.11499	2.3
262.10278	0.3
271.15176	1.7
274.69705	0.3
287.14719	1.4
303.14120	1.3
315.17764	0.7
331.17264	3.7
347.16727	2.3
375.19882	1.0
481.23904	0.6
573.30273	0.5
677.36523	100.0
678.36749	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	677.281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.95164	1.2
56.27726	1.1
60.17367	1.0
67.05486	1.6
70.06587	4.0
79.05452	2.8
80.05000	2.4
81.03413	1.5
81.07065	1.5
86.09679	2.4
89.03928	1.3
91.05495	2.0
93.05759	1.4
93.07028	4.6
94.06567	9.0
95.04939	2.1
95.07332	4.7
95.08598	1.5
96.08114	10.5
106.06530	2.1
107.04955	7.7
108.04472	3.3
108.08095	12.6
109.02936	1.1
110.07142	1.3
110.09666	18.3
116.04973	2.8
120.04484	2.9
120.08094	16.2
122.06029	7.0
124.07594	12.6
127.03826	1.2
134.06006	5.1
136.07567	14.6
138.09125	20.8
144.04414	4.7
146.06013	5.6
148.07571	6.2
152.07091	2.8
160.03934	2.5
160.07626	1.3
162.05484	4.8
164.07045	2.6
166.08620	19.7
172.03915	20.6
174.05479	1.8
175.07489	1.1
176.07025	3.8
184.07536	1.3
185.10812	1.4
190.04967	22.5
199.08633	3.3
199.12210	1.4
201.10271	1.3
204.06529	38.6
204.88489	1.3
211.08731	2.0
212.09293	1.8
213.10231	3.5
215.11815	3.5
221.10843	1.6
223.08661	2.3
224.09534	1.5
225.10185	5.3
226.08720	1.7
227.08180	1.2
227.11792	2.4
229.09756	1.3
235.08693	1.7
236.09393	2.4
237.10217	6.8
238.08873	1.4
238.11035	4.0
239.11810	3.9
240.12637	1.6
241.09688	4.2
243.11307	15.4
245.13025	1.4
247.08607	2.0
248.09503	1.8
249.10283	7.3
250.10951	4.1
251.08040	1.5
251.11714	4.2
252.08748	1.3
253.09720	3.1
255.11349	2.5
256.11966	1.3
257.12863	2.2
259.10724	1.3
261.09998	1.9
262.11105	2.3
263.08386	1.9
263.11768	6.7
264.08920	3.5
265.09702	4.6
265.13397	2.3
267.11258	3.2
269.09113	2.3
271.10706	1.5
273.12262	8.2
277.09720	4.1
278.10468	1.6
279.11270	10.7
281.09238	2.5
281.12708	2.1
283.10745	5.9
285.12308	27.3
286.12778	1.5
287.10110	7.1
291.11243	3.2
293.09244	1.7
293.12589	1.7
295.10828	1.7
297.07800	1.6
297.12308	9.7
299.10379	4.4
299.13986	3.9
301.11871	3.3
302.12509	2.1
303.13385	28.7
307.10715	4.8
309.12231	3.0
311.10382	1.7
311.13837	1.6
313.11954	2.7
314.16342	1.8
316.11075	1.7
316.14478	1.5
323.10208	7.1
323.13699	2.3
325.11813	27.8
327.05017	2.0
327.13712	5.5
328.14328	2.9
329.11490	2.4
330.12775	1.8
331.13116	1.5
335.10114	1.9
337.11789	4.0
339.13547	1.8
340.14578	2.4
342.12247	2.4
342.15942	1.7
343.12958	12.8
344.13910	4.3
345.14813	2.3
346.15442	3.6
353.11102	1.6
354.12399	2.5
354.16339	1.4
355.12982	5.4
356.13901	2.5
357.14484	12.2
358.11639	1.7
358.15836	5.7
367.12820	4.9
367.27710	1.3
368.13922	1.3
371.12573	3.0
372.13287	4.5
372.17316	2.1
373.13858	3.4
374.14825	3.0
376.99652	1.5
381.10818	2.3
382.35495	1.2
385.14053	2.7
386.15009	10.7
387.15466	3.3
388.16431	1.9
392.16183	1.6
396.13220	1.9
400.16904	2.2
402.14310	3.3
403.19174	1.4
404.15930	4.8
406.17511	3.3
413.13992	1.6
414.14328	12.7
415.15271	20.0
416.15866	3.5
418.17419	3.3
420.15460	2.9
421.09216	1.2
428.15967	2.8
430.17627	2.8
432.15527	14.2
438.14908	2.6
444.15408	2.8
446.17120	4.1
456.15521	8.2
462.16431	17.4
464.18280	2.2
474.16541	44.3
476.18106	3.3
488.18204	2.5
490.19205	1.4
492.17361	1.9
494.18945	1.8
506.19229	9.8
515.14294	2.1
520.20819	26.8
521.21191	2.0
522.22314	10.1
524.20697	1.8
581.23505	3.2
583.25391	3.0
585.23425	7.3
599.24744	4.9
609.08618	1.4
609.23572	15.9
627.24420	100.0
628.24219	5.6
641.25800	2.6
645.25024	2.3
659.26831	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.3
55.05478	0.8
67.05479	0.7
67.57850	0.2
70.06573	0.5
70.13529	0.9
72.08134	0.3
79.05464	0.6
80.05002	0.4
80.76882	0.2
81.07015	0.4
85.02901	0.4
86.09695	0.3
89.03889	0.3
91.05458	0.3
93.05738	0.4
93.07033	0.3
94.06544	0.7
95.04946	0.4
96.04462	0.4
97.02898	0.3
97.06489	0.8
103.05441	0.3
107.04958	1.1
107.05589	0.3
107.07323	0.5
108.04448	0.8
108.08107	4.4
109.39948	0.2
110.06041	1.4
110.09618	0.4
116.04980	1.6
120.08059	0.8
122.06022	2.8
122.09634	0.9
124.07554	0.8
131.07320	0.3
132.08051	0.3
134.05995	0.4
136.03857	0.2
136.07564	1.6
138.05443	0.5
138.09119	0.4
138.33873	0.2
143.08476	0.2
144.04431	2.7
145.05055	0.2
146.05971	1.0
148.07550	1.1
149.07101	0.5
149.08331	1.0
150.05515	1.6
150.09129	4.1
152.07033	1.3
157.08821	0.3
158.05997	0.3
158.09628	1.2
160.03958	0.4
160.07602	1.2
160.09920	0.5
160.11139	0.3
162.05508	1.4
162.09055	0.3
164.07040	0.6
166.08609	0.6
170.09622	0.8
172.03925	11.5
172.07523	0.7
172.11195	0.3
173.08324	0.4
173.10724	0.5
174.05569	0.3
174.09111	0.7
175.08644	0.6
175.12277	1.1
176.07043	0.5
176.09381	0.3
176.10750	0.2
176.40033	0.2
177.06578	0.4
178.05032	0.4
183.83238	0.2
184.07620	0.4
185.08398	0.2
185.10695	0.3
186.09134	4.7
187.08611	1.6
188.07069	0.5
188.07741	0.2
188.09341	1.8
189.10223	0.5
190.04991	1.9
196.07651	1.0
198.09251	1.1
199.08595	0.3
200.07095	0.6
200.10748	1.9
201.10187	0.5
202.08755	0.6
202.10939	3.3
203.08037	0.3
203.11755	6.0
204.06543	15.3
205.07079	0.3
210.09242	0.4
212.07088	0.3
212.09256	0.5
212.10989	0.3
213.08025	0.3
213.10184	2.0
214.08609	10.9
215.08162	6.0
215.11502	0.2
216.08899	0.7
216.12442	0.2
217.09703	0.8
217.13332	0.4
218.10448	0.3
224.07074	0.4
227.11580	1.1
228.10233	3.8
229.09601	1.9
230.10448	1.4
231.11267	6.2
232.09650	0.4
237.10083	0.3
240.08858	0.6
241.09706	2.2
242.08087	1.9
243.11298	0.6
245.09184	1.2
245.12865	1.1
246.09804	0.3
247.10725	1.5
250.10587	0.2
255.11266	5.2
256.09641	2.9
257.09262	0.8
257.12787	1.4
258.10117	0.3
259.10754	74.7
260.11124	1.4
265.09802	0.3
269.12634	0.3
271.10703	0.7
272.11453	0.3
273.12308	6.8
281.12848	0.4
283.10739	3.5
284.09113	0.3
287.10291	0.5
301.11804	57.2
302.12222	1.0
305.11163	0.3
309.12286	2.5
310.12595	0.3
318.12189	0.3
319.12851	100.0
320.13150	2.0
327.13443	1.0
335.12476	0.7
337.13904	17.5
338.14362	0.3
341.15063	1.4
342.15585	0.3
413.15268	0.2
432.86441	0.2
444.15375	0.2
476.18521	0.2
478.19711	0.9
486.16559	1.0
504.17340	1.4
510.19510	0.2
515.29932	0.3
520.79346	0.2
522.18976	0.5
613.26917	0.3
617.26233	0.3
627.24097	0.5
631.27362	0.9
641.25836	1.7
645.24835	0.4
659.27094	7.3
660.26331	0.3
677.30042	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.3
69.03408	0.9
70.38318	3.4
79.05483	2.2
80.05000	1.9
82.06594	1.9
91.05477	2.7
93.05771	1.4
93.07019	3.8
94.06558	9.7
95.04935	1.0
95.07339	4.6
96.08125	10.7
97.06530	1.3
97.87811	0.8
103.05457	1.3
106.06489	1.4
107.04974	1.8
108.04462	3.4
108.08109	15.5
108.30955	0.8
110.09670	16.1
116.04974	3.0
118.06507	2.0
120.04451	4.9
120.08092	15.6
122.06015	8.0
124.07589	13.4
132.04425	1.8
134.06020	5.0
136.03819	0.8
136.07576	14.5
138.05476	1.1
138.08112	1.5
138.09128	23.1
144.04439	6.5
146.05974	7.4
148.07556	5.6
152.07054	2.4
160.03929	4.4
160.07574	1.2
162.05504	5.3
164.07050	3.5
166.08632	21.8
169.18640	0.8
170.09668	1.2
172.03922	24.1
174.05531	2.6
176.07079	6.4
184.06160	0.8
185.10748	1.0
190.04970	23.9
199.08661	2.5
201.10219	1.7
204.06544	38.2
209.10681	1.3
211.08682	2.0
212.09337	1.9
213.10300	4.9
214.08647	1.0
214.10884	1.8
215.11748	4.2
221.10706	1.1
223.08669	1.8
224.09430	1.1
225.10158	3.3
226.08591	2.5
226.10907	1.5
227.11720	3.2
229.13295	1.6
235.08620	1.7
236.09418	3.2
237.10245	3.4
238.10948	3.6
239.11790	2.8
241.09660	4.9
243.11275	14.9
245.12831	1.3
248.09409	1.6
249.10298	4.9
250.10977	3.0
251.08168	1.0
251.11745	4.9
252.08890	1.9
253.09648	1.8
254.10628	1.1
255.11342	4.4
256.12045	1.4
257.08932	1.1
257.12866	2.3
259.10880	1.2
260.11078	1.2
261.10214	1.4
262.11005	1.5
263.08218	2.1
263.11758	5.0
264.08923	3.9
265.09702	5.2
266.10321	1.2
267.11310	2.7
269.09250	4.1
269.12906	0.9
270.09940	1.2
271.10721	3.0
273.12323	7.6
277.09729	3.9
278.10434	1.1
279.11279	7.4
281.09384	1.6
281.12863	2.4
282.09830	1.5
283.10703	5.9
284.11600	1.4
285.12314	28.9
287.10248	8.7
288.11850	1.1
289.09671	1.2
289.15527	1.2
291.11304	1.8
293.09183	0.9
294.10071	0.9
295.10736	2.9
297.12271	9.1
299.10419	2.4
299.13913	5.3
300.14902	1.1
301.11740	4.0
302.12585	2.5
303.13370	25.0
304.14371	1.1
307.10712	3.1
308.11530	1.3
309.12170	2.8
311.10306	2.0
311.13727	1.1
313.11975	2.3
314.12918	1.7
315.10147	1.1
315.13669	1.5
316.11108	1.5
316.14322	2.1
317.15222	1.1
318.12338	1.1
318.15930	1.5
323.10364	7.7
324.11151	0.9
325.11826	35.4
326.12720	1.9
327.04819	5.2
327.13629	4.3
328.10880	1.4
328.14539	1.4
329.11426	2.9
329.14966	1.3
330.12369	2.8
330.16052	1.5
331.12891	1.0
332.13953	1.1
332.17841	0.9
334.15530	1.1
335.09973	1.4
337.11835	2.4
339.13571	1.2
340.14395	1.8
342.12402	2.4
343.12851	7.6
344.13913	3.8
346.15375	2.4
353.11215	1.7
354.12372	1.6
355.12851	3.1
356.13770	2.6
357.10703	1.4
357.14532	12.0
358.11551	1.6
358.15500	7.1
360.13284	1.2
367.12927	3.6
368.14038	2.2
369.14835	1.3
370.11905	2.6
371.12665	2.6
372.13165	5.0
372.17337	1.1
373.13916	3.5
374.14886	3.3
376.16559	2.4
382.11377	0.9
382.15594	1.1
383.12640	1.7
384.13245	1.7
385.14301	3.6
386.15024	11.5
387.15717	4.2
388.16736	1.7
392.16077	2.0
394.17120	0.9
396.13489	2.5
400.12399	2.0
400.16873	1.2
401.13779	1.4
402.13806	4.6
403.15256	2.1
404.16068	5.9
406.17587	3.4
410.14832	2.8
412.16632	2.2
413.13998	1.1
414.14468	15.5
415.15277	21.9
416.15765	2.4
417.16873	0.9
418.17496	2.0
420.15500	4.0
421.09103	3.1
428.16013	3.4
430.17407	2.5
432.15512	14.2
433.16074	1.2
438.14957	2.4
444.15253	5.3
446.17087	4.9
456.15540	10.1
462.16550	15.5
464.17862	1.5
474.16583	44.5
475.17050	1.0
476.18021	2.4
488.17877	1.4
490.19070	1.0
494.18759	1.7
506.19186	10.1
520.20782	12.6
522.21979	4.4
538.21320	1.0
539.22766	1.2
567.21985	1.5
567.55188	0.9
568.22821	1.0
581.23413	3.2
583.25220	3.3
585.23584	6.4
586.23413	0.9
591.22418	1.0
599.25092	4.7
609.23260	15.1
627.24457	100.0
628.24335	3.7
632.36731	1.1
641.25690	3.6
645.25220	1.1
659.27704	4.1
701.04364	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06564	1.1
70.69920	1.0
70.70264	1.1
79.05472	1.0
80.05025	0.4
81.05811	0.5
82.06564	0.7
85.02876	0.6
89.86828	0.4
91.05460	1.1
93.05778	0.7
93.07028	2.0
94.06573	3.2
95.04899	0.5
95.07337	2.0
95.78242	0.5
96.08117	6.0
97.06556	0.6
100.76585	0.5
107.04924	0.5
108.08107	5.5
109.57213	0.5
110.09675	8.0
116.67604	0.4
120.08082	6.5
122.06033	1.0
123.06766	0.5
124.07576	1.5
136.07574	6.4
138.09126	12.9
144.08086	0.5
148.07527	2.4
149.05933	1.2
150.09190	0.9
152.07048	0.9
164.07079	1.2
166.08627	12.5
172.03923	0.5
177.05446	0.7
190.05000	0.5
195.06448	1.0
204.06575	1.1
204.10202	0.6
209.10736	1.0
210.11295	0.5
211.08646	1.0
211.12132	0.7
220.09933	0.6
221.10646	0.6
222.11485	0.6
223.12265	1.1
225.10089	0.7
233.10672	0.6
235.08556	3.7
235.12308	1.4
236.09454	2.5
236.13097	0.5
237.10173	8.8
237.13889	0.6
238.10989	6.1
239.11769	2.9
241.09787	0.5
247.08589	4.1
248.09384	5.3
249.10202	10.4
250.10991	15.6
250.13588	1.0
251.11745	11.5
252.12547	1.6
253.09753	0.9
261.10190	6.4
262.11023	4.3
263.08844	0.9
263.11765	26.8
264.09024	1.9
264.12296	2.5
265.09732	4.6
265.13077	2.6
266.10486	0.8
267.11124	2.2
277.09705	4.5
278.10464	2.1
279.11255	24.3
280.11923	1.3
281.09717	0.7
281.12878	3.1
282.09918	2.2
283.10812	2.1
283.14383	0.6
285.12344	0.7
289.09641	3.9
291.11243	8.7
292.11969	1.0
293.09192	1.3
293.12839	3.0
294.09918	0.6
295.10773	4.3
295.14188	0.9
296.11447	0.7
297.12347	4.3
305.09210	1.0
307.10745	10.8
308.11478	0.6
309.12302	9.8
310.12952	0.9
311.13773	2.2
313.12036	0.6
314.13037	0.5
317.09268	1.7
319.10818	2.0
321.12375	1.2
323.10168	2.0
323.13922	3.5
325.11688	3.5
327.04895	1.5
327.13712	0.7
328.14380	1.2
329.15140	0.9
330.15985	0.5
335.10260	7.8
336.10880	0.9
337.11801	11.6
339.13434	1.4
341.15143	0.9
342.15955	2.6
343.16891	0.9
353.11282	1.7
354.16037	0.8
355.12866	12.1
356.13580	1.6
356.17657	0.9
357.14413	8.7
358.15399	1.0
367.12827	19.3
368.13583	1.4
369.14383	4.0
370.15387	1.8
372.16986	0.8
375.19635	1.1
384.17291	0.8
386.14780	0.6
388.16254	0.5
400.16531	1.0
402.18396	0.9
403.18796	4.3
414.18765	0.6
415.15106	0.5
421.09140	0.5
428.16312	0.9
430.17517	0.8
432.19073	1.8
442.17880	0.7
444.19104	0.9
447.18073	0.9
448.18167	0.7
460.18701	1.8
462.20282	1.0
470.16806	0.7
474.16531	0.9
476.22073	0.8
488.18207	5.2
489.18918	1.0
490.19772	4.5
492.17407	1.8
492.22229	1.0
493.19016	0.5
494.22897	1.2
502.19568	0.8
506.19211	4.1
520.20758	100.0
521.21344	8.9
522.22321	38.8
523.22546	2.2
538.21924	5.0
609.23401	0.6
627.24390	2.6
641.26172	1.3
645.25427	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.8
55.01860	0.8
56.96554	0.9
67.05486	1.3
69.03420	1.6
70.06589	4.1
77.83447	0.7
79.05465	2.1
80.04996	0.9
81.03419	1.7
81.07040	0.6
82.06550	0.9
84.08134	1.4
84.19499	0.9
85.02891	1.8
86.09688	0.8
89.06009	1.4
91.05474	2.8
93.07030	5.1
94.06561	4.2
95.04968	1.6
95.07340	3.8
96.08127	10.2
97.06509	0.8
99.55072	0.7
103.05492	0.8
107.04939	4.7
107.13438	0.6
108.04475	1.4
108.08120	10.3
109.02881	0.9
109.10103	0.7
110.06012	1.0
110.09672	15.0
116.98639	1.0
120.04487	1.3
120.08102	11.5
121.06508	0.8
122.06004	2.2
122.09629	1.1
124.07593	2.7
134.05991	0.8
136.07573	8.0
137.02335	0.6
138.09126	20.0
144.08125	0.8
146.06023	1.0
146.09698	0.8
148.07594	3.2
150.09113	0.7
152.07101	1.1
162.05548	1.1
164.07104	1.8
166.08630	19.8
172.03915	2.1
176.06996	1.1
182.08156	0.7
190.05002	1.3
197.10851	0.8
199.08701	1.5
204.06561	2.8
209.10777	1.2
210.11566	0.8
211.08696	2.0
213.06561	1.6
213.10374	1.5
221.10881	1.7
223.08624	2.0
223.12288	1.6
224.09497	1.2
225.06665	1.5
225.10213	2.9
225.14136	0.7
226.10857	0.7
227.08252	0.9
235.08667	4.5
235.12283	1.4
236.09354	3.3
237.10228	8.6
238.10907	5.4
239.08301	1.3
239.11745	3.7
239.13846	0.6
240.09210	0.7
241.09726	2.3
241.13261	1.2
243.11266	1.6
247.08691	4.6
248.09389	5.9
249.10207	13.0
249.12622	1.0
250.10976	17.4
251.08311	1.6
251.11758	15.0
252.08884	1.1
252.12563	1.6
253.09801	3.2
253.13371	1.1
255.07776	0.9
255.11311	1.5
259.10825	1.2
261.10168	7.6
262.11008	4.6
263.08496	1.7
263.11771	25.4
264.08844	1.9
264.12421	1.5
265.09717	5.7
265.13324	2.9
266.10556	1.8
267.11185	3.2
269.09576	0.7
269.12781	1.9
271.04321	1.9
271.10837	0.9
273.12323	1.4
277.09631	5.1
278.10498	2.7
279.11270	25.8
280.11951	1.2
281.09290	2.0
281.12885	2.6
282.10004	2.9
283.10867	2.7
283.14209	0.7
284.11597	1.5
285.12366	2.6
287.10403	0.7
289.09686	2.5
291.11273	8.0
292.11914	1.6
293.09521	1.5
293.12851	3.0
295.10834	5.1
296.11615	1.7
297.12381	3.5
299.10245	1.4
299.13947	2.0
300.10938	0.8
301.12305	0.8
302.12741	1.3
303.05121	1.2
303.13449	1.7
305.09158	1.4
307.10745	8.1
309.12311	10.8
310.13162	1.6
310.83060	0.9
311.10559	0.8
311.14001	2.8
312.14880	0.7
313.11847	0.7
314.13214	1.4
314.16507	0.8
315.04959	16.0
316.05325	6.7
316.14310	1.1
317.05627	1.7
317.08936	1.1
319.10880	1.4
321.12637	1.3
323.10913	3.1
323.13562	3.5
325.11713	4.8
326.12689	0.9
327.13608	2.0
328.14462	1.7
329.15326	0.9
330.12335	1.1
330.15942	1.7
335.10229	7.4
336.11252	0.9
337.11771	10.9
339.13626	2.2
340.10910	0.9
340.14587	1.3
341.15506	0.8
342.12097	1.1
342.15948	2.6
343.13373	1.2
344.14005	1.9
345.14481	0.9
353.11542	1.6
354.12231	0.8
355.12894	11.6
355.17188	0.7
356.13840	3.2
356.17712	0.9
357.14429	9.9
358.15439	2.2
360.17300	1.0
367.12875	19.3
368.13919	2.1
369.14520	4.7
370.15439	2.4
371.12454	1.4
372.13181	1.4
372.17172	1.6
373.13861	3.6
374.14886	1.0
377.02179	0.7
382.15604	1.6
383.13882	0.7
384.17422	1.2
386.14914	1.5
387.15878	1.4
388.16858	1.4
389.02020	0.8
389.13528	1.4
390.17938	1.0
400.16537	2.0
401.13504	1.0
402.18109	1.8
403.19086	4.6
404.16016	0.7
406.17813	0.7
409.09204	2.6
410.09470	2.6
411.09894	0.8
412.16479	1.0
414.14270	1.3
415.15063	1.9
416.15625	3.2
418.17728	2.0
426.14685	1.0
428.16104	2.5
429.05823	3.5
429.11832	1.8
430.17459	2.0
432.19418	1.5
434.17258	3.4
436.18823	1.3
442.17734	1.1
444.15637	2.9
446.16870	5.3
447.17953	1.0
448.18546	0.9
456.15823	3.1
460.18677	2.5
462.16217	9.5
462.48343	0.8
465.05273	1.6
466.05328	0.9
474.16577	11.2
476.17838	0.8
480.17572	4.7
483.06079	4.8
484.06296	2.1
488.18140	4.8
490.19562	4.4
492.16684	4.2
494.18906	4.5
502.19632	0.9
506.19135	12.4
512.20142	8.4
520.20789	100.0
521.21539	5.7
522.22327	35.1
523.22791	1.1
524.20343	7.0
538.22034	4.8
581.23975	2.0
599.25049	3.8
609.08868	1.2
609.23077	4.8
610.09528	0.8
627.24475	15.4
628.23956	0.8
633.09399	0.8
641.25671	4.8
645.25635	4.5
659.27197	4.0
677.27057	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.5
55.93513	1.2
56.05032	0.5
56.94289	1.4
60.92482	0.4
61.02895	0.5
61.55236	0.4
62.03321	0.4
65.03931	1.2
69.03411	1.8
69.44627	4.0
70.06584	9.8
70.95844	0.8
71.92987	0.5
72.08138	1.8
72.93772	5.4
74.06065	0.4
79.05481	0.5
81.03411	3.4
84.04488	1.0
84.08139	3.1
85.02882	1.7
86.09690	1.8
88.96880	0.6
90.94807	5.7
91.05468	51.5
92.05787	0.5
93.04475	0.5
95.04944	1.0
97.02870	1.1
100.84398	0.4
105.07040	0.7
107.04942	8.6
108.95851	1.7
109.02847	1.2
110.07147	0.5
111.63785	0.4
114.94826	0.5
116.96355	0.5
117.06994	0.5
118.94284	0.7
120.08104	0.7
127.03902	0.7
127.08643	0.5
128.96298	2.0
129.10226	1.3
130.97884	1.5
131.95045	0.4
132.95816	13.5
134.97385	1.0
136.07611	0.5
136.95293	1.2
137.05934	0.9
140.96297	0.7
144.95810	7.1
146.97371	1.9
148.98959	2.8
149.00453	0.5
150.96869	9.9
152.96260	0.8
155.97479	0.6
156.95815	1.4
158.96165	0.8
158.97392	10.9
160.95284	0.4
162.96878	8.0
164.99928	1.6
166.97929	0.5
167.00005	0.5
168.95784	3.5
170.97298	2.2
173.96072	0.8
174.96869	19.4
176.98470	7.5
176.99910	0.9
180.99443	1.5
186.96872	7.2
188.98448	2.0
192.97900	2.0
192.99457	4.7
193.12238	1.1
195.00989	1.8
196.98924	0.7
198.96854	5.3
200.94781	2.3
200.98410	2.1
204.97867	3.3
207.01077	2.5
212.10419	0.5
216.97903	10.2
217.85837	0.5
218.95876	1.8
218.99232	0.8
219.01060	1.5
221.02663	0.6
223.00504	7.0
230.95862	0.7
232.97478	1.9
234.98936	25.1
241.01488	2.6
242.95868	1.0
247.00710	0.6
249.02061	1.6
252.99960	3.1
258.00568	1.1
258.98654	0.8
259.00809	0.7
260.96960	3.0
265.01535	4.5
267.15924	0.7
274.02069	0.5
276.99832	1.3
277.01935	0.7
278.98038	0.8
285.16870	0.6
286.17429	0.5
302.97815	0.7
307.02444	2.3
319.01175	0.5
320.99066	1.7
325.03641	100.0
326.03925	0.7
339.00458	0.5
343.01028	0.8
343.04727	4.8
348.05203	2.1
351.01697	1.0
362.99792	0.5
366.06387	3.4
367.04739	15.9
385.05545	1.1
388.97717	0.7
393.01538	0.5
397.04773	0.7
408.06979	0.6
411.03677	31.2
423.01953	0.7
427.06644	1.2
429.04776	5.7
439.06216	0.7
452.06549	0.7
453.04727	1.5
465.03094	0.9
469.07791	0.6
471.05685	1.2
483.04865	0.5
497.03607	1.1
531.07855	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01869	1.1
57.03434	1.1
60.22282	0.1
61.02925	1.6
67.05469	0.4
69.03422	3.2
69.07072	0.3
69.77401	0.2
70.06561	0.8
70.19389	0.8
71.04954	0.4
73.02878	0.5
79.05480	0.3
80.05032	0.2
81.03413	2.4
81.07024	0.3
84.08111	0.2
85.02898	8.4
86.09681	0.4
87.04424	0.6
91.03928	0.5
91.05446	0.6
93.07023	0.4
94.06525	0.5
95.04934	0.6
95.07304	0.3
96.08099	0.7
97.02877	3.4
97.06525	0.2
98.21497	0.2
99.04412	0.6
105.07031	0.3
106.06537	0.2
107.04950	1.2
108.04340	0.2
108.08083	0.8
109.02866	2.2
110.09679	1.3
115.05413	0.2
120.08091	1.1
121.02854	0.2
122.06060	0.2
123.04388	0.5
123.06779	0.2
127.03902	1.9
131.04916	0.4
136.07535	0.8
137.02330	8.0
137.03362	0.3
137.05878	0.3
138.09131	1.9
141.06996	0.2
145.04941	1.0
148.07571	0.3
149.06013	0.2
151.03854	0.4
152.07059	0.2
153.06998	0.2
157.06458	0.3
161.02232	0.2
162.05428	0.3
163.03835	0.2
164.07021	0.6
166.08600	0.9
169.06447	0.5
171.04362	0.7
172.03894	0.2
173.06038	0.2
177.01822	1.8
182.08109	0.2
185.05923	0.8
195.02875	8.5
197.05946	1.0
199.03857	1.0
204.06529	0.3
213.10193	0.2
217.04996	1.2
223.08694	0.2
225.05396	2.4
225.10181	0.4
227.03331	0.4
237.10204	0.4
238.10854	0.2
239.08080	0.2
239.11794	0.3
243.06642	0.2
245.04323	0.3
247.08572	0.2
249.10266	0.3
250.10991	0.4
251.11746	0.4
253.04906	2.5
255.11316	0.2
261.10114	0.3
263.11859	0.4
265.09686	0.3
267.11447	0.3
269.09692	0.2
269.12845	0.3
271.05994	0.4
271.10843	0.2
277.09674	0.3
279.08176	0.2
279.11234	0.8
281.04413	0.5
281.09119	0.2
291.11224	0.6
295.10645	0.3
297.07892	0.3
299.05304	0.2
299.14038	0.3
301.12076	0.2
303.13324	0.2
307.10846	0.3
309.04050	0.2
309.12335	0.3
311.10315	0.3
311.13724	0.2
313.11743	0.3
315.05042	0.5
323.10245	0.2
327.04950	100.0
328.05307	2.3
337.11893	0.2
342.12299	0.2
344.13867	0.2
348.52332	0.2
355.12939	0.5
367.12750	0.3
370.15387	0.2
373.13892	0.3
384.17017	0.2
387.15448	0.2
389.13513	0.3
400.16690	0.2
409.09155	0.5
421.09131	47.7
422.09332	1.2
430.17502	0.2
432.19934	0.2
434.17172	0.3
444.15176	0.3
446.16821	0.4
448.18604	0.2
456.15341	0.5
462.16565	1.0
474.16467	1.2
480.17648	0.6
492.17746	0.7
494.19550	0.4
506.19205	0.7
512.20111	0.9
515.13312	15.9
516.13586	0.5
520.20770	1.5
522.22217	0.4
524.20569	1.0
584.16064	0.2
599.25146	0.3
609.23303	0.3
627.24420	1.0
645.25317	0.5
659.26837	0.4
677.27637	0.2
677.38690	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22083	2.0
55.05504	4.8
56.05043	2.1
67.05492	3.2
70.06596	57.4
71.06931	4.0
71.58612	2.7
71.59033	3.3
72.08152	14.3
78.59978	1.9
81.07043	4.8
84.04504	12.0
84.08145	19.8
85.02910	4.7
86.09711	24.9
87.10046	2.3
91.05478	6.8
93.07066	3.3
95.04958	3.2
95.08604	5.8
97.02872	2.1
100.11256	2.2
101.07154	3.4
101.98275	1.7
102.05535	6.0
105.07060	3.1
107.04950	7.1
107.08601	4.4
109.10173	7.5
110.07158	6.2
110.77251	2.0
120.08121	13.1
121.06514	32.2
121.10154	9.5
123.11732	6.5
127.08669	2.3
129.10243	9.6
136.07602	3.9
149.05983	100.0
151.07603	4.6
157.06404	3.1
161.06032	3.5
163.07591	4.0
167.07013	9.8
170.38106	1.9
171.11449	2.1
175.07491	2.6
175.82414	1.8
177.05479	87.0
183.15045	2.8
184.07375	3.1
187.07608	2.3
189.09116	39.4
195.06540	58.0
195.08241	4.1
201.09044	2.5
207.10141	2.0
211.14554	3.6
215.10725	4.1
229.08504	2.5
235.09647	64.0
237.73761	2.1
271.17010	13.7
299.16418	29.1
317.17450	37.7
317.20917	3.5
520.20929	3.1
581.49591	2.0
676.38281	2.7
676.48383	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	675.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05873	1.9
53.03941	3.3
55.01852	2.4
55.05516	12.1
57.03419	7.1
57.07061	3.9
61.02919	20.0
67.05502	38.8
69.03419	8.8
69.07060	10.6
70.06571	2.0
71.04980	4.4
71.59875	2.4
73.02895	8.5
77.00181	2.0
79.05489	36.6
81.03410	6.9
81.07057	37.1
83.04958	4.7
83.08606	6.3
85.02897	24.6
85.06529	2.9
86.09696	4.0
89.06019	3.1
91.03942	16.1
91.05476	34.4
93.07034	50.5
95.04958	9.2
95.08601	24.3
97.02885	13.0
97.06527	5.9
97.10142	3.5
99.04478	3.8
99.08080	2.5
105.07021	39.2
107.04951	7.3
107.08584	26.6
109.02906	2.9
109.06526	3.4
109.10129	14.9
115.03908	2.5
117.07022	9.8
119.08563	28.0
121.06464	3.3
121.10132	21.0
123.08038	2.6
123.11671	2.8
125.09628	2.3
127.03903	7.7
129.06995	10.0
131.08551	18.0
133.10114	30.9
135.08035	3.1
135.11665	22.3
136.07504	2.0
137.09656	3.0
143.08572	8.3
143.27316	2.1
145.04936	5.8
145.10121	16.1
147.08040	2.5
147.11659	22.5
149.09616	3.7
149.13235	9.9
151.11156	3.7
157.10095	9.7
159.11658	11.8
161.13264	17.0
161.20056	1.9
163.06065	3.8
163.11206	2.7
163.14818	3.9
165.09091	7.6
169.10085	3.3
171.11668	8.0
173.09763	2.0
173.13258	8.4
175.11212	2.4
175.14803	8.1
183.11684	2.5
184.07384	2.6
185.13271	9.2
187.14789	4.6
189.12834	2.5
199.14825	3.8
203.14227	2.6
213.16397	2.6
217.19418	2.6
231.21014	2.6
241.19513	16.9
253.12843	2.6
257.18924	3.1
259.20557	40.6
269.12750	2.4
275.19992	2.6
277.21585	8.2
301.21597	2.3
317.06552	28.6
318.06903	2.6
329.21652	3.4
333.23993	6.0
343.22711	2.4
349.21338	2.0
349.24060	3.3
351.25259	100.0
352.25253	2.2
357.15878	2.9
363.25320	4.0
367.22675	5.8
375.25250	4.1
385.23724	4.1
403.24539	3.5
417.26224	5.5
441.26346	7.6
459.27319	7.9
477.28452	7.8
495.29395	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	675.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.1
55.01861	5.7
55.05510	22.1
57.03430	9.7
59.04980	3.5
60.04515	3.5
61.02927	28.0
66.01006	2.6
67.05506	42.1
69.03413	9.9
69.07065	15.2
70.06584	5.4
71.04992	5.6
73.02905	11.7
79.05045	5.2
79.05488	47.3
81.03411	14.0
81.07055	38.8
83.04963	6.9
83.08617	11.7
84.08123	4.4
85.02899	35.4
87.04482	3.8
89.06039	3.4
91.03980	20.0
91.05479	48.9
91.60757	2.9
93.07037	52.8
95.04421	2.6
95.04964	12.6
95.08604	29.6
97.02888	22.1
97.06518	5.6
97.10205	5.1
98.21529	6.9
99.04446	4.1
105.07023	50.3
107.04933	18.1
107.08590	28.5
109.02888	5.1
109.06527	3.5
109.10154	17.1
111.08086	3.2
115.03984	4.2
117.06994	19.6
119.08574	41.3
120.08106	3.4
121.06519	12.9
121.10114	22.2
123.08074	4.1
123.11723	4.7
127.03893	11.6
128.06197	3.4
129.07002	12.0
131.08583	21.6
133.10117	32.9
135.11664	19.0
137.09628	3.8
142.07774	3.7
143.08553	12.1
145.04974	6.1
145.10094	26.8
147.08035	4.6
147.11676	32.0
149.09637	4.8
149.13260	13.6
155.08546	3.7
157.10097	10.8
159.08069	4.1
159.11682	20.3
161.09564	5.1
161.13255	25.2
163.06023	12.2
163.11192	6.8
163.14780	3.8
165.09122	15.9
171.11708	13.7
173.09666	4.1
173.13292	9.5
175.14819	17.6
177.12688	3.6
184.07372	3.0
185.13263	10.4
189.12744	6.5
197.13303	5.0
199.14838	7.6
207.11743	3.7
213.16422	5.6
217.19640	4.0
231.17447	3.6
231.21013	5.6
238.94952	3.1
241.19528	21.5
252.48563	3.3
259.20557	56.4
269.12927	5.3
271.10818	4.0
273.18286	2.8
275.20093	6.6
277.21756	4.4
304.96957	2.8
318.15283	5.0
349.23776	5.4
351.25287	100.0
351.29553	6.0
367.22903	5.7
375.25201	3.7
385.23828	4.3
417.26575	6.1
429.26096	4.4
441.26453	8.8
459.27335	10.3
477.28659	8.6
478.28918	4.6
495.29391	11.6
570.93536	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	675.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01854	1.3
55.05490	2.6
55.93507	5.8
56.94291	4.0
57.03407	1.1
67.05495	6.1
67.26599	0.6
69.03405	2.1
69.07049	2.4
69.67301	4.6
70.95860	10.9
71.92992	3.1
72.93391	1.5
72.93779	23.6
76.09727	0.7
79.05490	5.4
81.03386	3.6
81.07047	8.0
88.96903	4.8
90.94811	16.7
91.05471	6.6
93.07039	3.8
95.04962	2.2
95.06065	2.6
95.08593	2.2
97.02865	0.9
98.20741	1.3
102.94830	1.0
105.07031	4.9
107.04958	1.5
107.08578	2.2
107.33282	0.7
107.95060	1.0
108.95859	7.8
109.06532	1.4
109.10125	1.1
111.34341	0.7
112.08692	0.8
113.96365	2.5
113.97590	1.0
116.96341	2.6
117.07017	2.3
118.94248	1.3
119.08556	2.8
121.06464	0.9
121.10140	1.0
125.96107	1.1
126.98408	3.0
128.96338	5.0
129.06975	2.2
130.97882	3.9
131.08517	2.1
131.97414	1.1
132.95860	1.7
133.06462	1.0
133.10095	1.0
134.97401	4.1
134.98900	0.9
136.95322	1.3
138.98410	4.7
141.00020	0.9
142.97899	4.1
143.08548	1.8
144.95810	2.6
144.99461	4.7
145.10117	1.7
145.16309	0.7
146.97389	5.6
146.98503	0.9
148.98938	5.2
149.00453	0.7
149.02258	0.8
150.96846	2.9
150.98424	2.0
151.02011	4.5
152.96327	1.0
153.00000	1.1
154.97865	3.9
156.99443	4.1
157.10115	0.9
158.97366	3.0
159.00961	1.0
160.97791	0.7
160.99007	1.8
162.96927	3.6
163.00578	0.7
163.02057	0.7
164.99951	8.1
165.03586	2.7
165.97115	1.5
166.97833	4.2
167.01495	0.7
168.99429	4.6
170.97356	3.3
171.01007	2.0
172.98930	5.8
175.00533	1.8
175.01985	1.8
176.98434	4.1
178.97925	4.1
179.01515	2.2
179.05122	1.1
180.99474	2.6
182.97377	1.6
183.00996	2.9
183.98157	1.1
184.98938	5.1
185.02650	1.3
186.01208	5.7
187.00537	3.4
188.98410	1.1
189.00003	0.9
189.02081	0.9
189.03564	3.5
190.99939	0.9
192.99512	3.9
193.03049	1.8
195.01041	2.8
196.98959	2.3
197.02649	1.1
199.00438	2.8
199.02060	3.3
200.02776	1.3
200.98412	1.1
201.02045	1.0
201.03636	8.4
202.99963	1.0
203.01631	1.4
204.99593	1.0
205.03175	1.2
207.01048	3.1
208.98866	1.3
209.02565	1.5
211.00458	1.9
211.04192	2.0
213.02049	3.2
213.03683	2.1
215.03468	4.1
215.05336	0.9
217.03073	3.1
219.01012	1.9
220.98929	1.4
221.02637	1.8
223.00533	1.1
223.04124	1.4
225.02025	2.6
225.05586	1.2
227.00157	1.0
227.03383	3.7
228.05624	1.2
229.05176	10.8
233.02428	1.5
235.04108	1.5
237.05681	2.5
239.03259	1.4
239.05235	2.2
239.07356	1.4
241.05171	3.4
245.04771	1.4
247.04100	1.7
247.06290	1.0
249.05544	1.8
252.06784	1.2
253.05069	6.1
255.06653	5.6
261.02203	1.4
263.03564	2.6
265.05093	7.5
267.06760	100.0
268.07101	1.2
269.04721	1.6
271.06253	20.1
275.20074	0.9
277.05167	1.6
278.05820	1.0
279.08371	2.4
281.04611	5.6
281.09842	1.6
282.06607	1.3
283.06238	14.9
285.07806	74.1
287.07333	2.4
289.07159	0.9
291.19363	1.6
294.07751	2.6
295.06332	2.1
296.07040	1.1
297.07834	2.9
299.05762	11.4
301.07358	3.1
305.08380	1.7
305.11676	1.5
306.07788	1.3
307.09927	10.2
308.09436	18.1
309.09512	1.0
322.07208	1.7
323.09302	2.6
327.10553	1.9
329.11987	3.2
345.11453	2.4
347.12994	53.5
348.12772	1.9
365.14063	26.0
383.15051	4.2
388.15701	3.7
406.16696	1.5
651.04437	0.8
675.36835	1.1
675.48041	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	675.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49052	0.3
53.03934	0.5
55.01854	0.4
55.05489	1.2
55.93523	2.8
56.94298	1.6
56.96563	0.3
57.03427	1.1
61.55177	0.3
65.03943	0.4
67.05503	3.5
69.03411	0.7
69.07068	3.1
70.95867	3.0
71.59536	0.6
71.92983	1.2
72.93782	7.2
73.94543	0.4
79.05486	4.1
81.03410	2.4
81.07064	3.2
83.04971	0.7
83.08617	0.5
85.02890	0.6
85.06521	0.4
87.62932	0.3
88.96904	1.4
89.06039	0.4
90.24895	0.3
90.94265	0.5
90.94822	6.6
91.05475	4.8
93.07034	2.0
95.04952	1.9
95.08581	1.8
97.02885	0.7
97.06525	0.5
105.07037	3.6
106.97892	0.5
107.04943	1.1
107.08630	1.8
108.95878	2.3
109.06501	1.6
109.10143	0.7
113.05985	1.0
113.96389	0.6
116.96366	0.5
117.07030	1.7
119.08546	1.5
121.06480	0.9
121.10159	0.9
125.09660	0.4
126.98410	0.9
128.96330	1.7
129.07001	0.8
130.97910	0.8
131.08566	1.7
131.97507	0.3
132.95781	0.8
133.10117	1.0
134.97409	1.3
134.98962	0.5
135.08014	0.7
135.11710	0.4
138.98416	1.4
142.97855	0.7
143.08543	1.0
144.95778	0.6
144.99472	1.1
145.10101	1.3
146.97382	1.3
147.11670	0.6
148.98975	1.5
150.96878	1.0
150.98486	0.9
151.02034	1.0
151.97609	0.5
154.97903	0.8
155.08630	0.4
155.98659	0.4
156.99440	1.0
157.10150	0.8
158.97375	0.7
159.01047	0.8
159.11742	0.8
160.98938	0.3
162.96887	1.1
163.00531	0.5
163.01924	0.3
164.99998	2.6
165.03587	0.4
165.97081	0.6
166.97908	2.0
168.99475	0.9
169.10088	0.4
170.97415	0.7
171.11639	0.5
172.98935	1.0
175.02008	0.9
176.98480	0.8
177.00017	0.5
178.97888	2.0
179.01488	1.0
180.99471	1.4
182.97316	0.5
183.01071	0.6
183.98215	1.0
184.98958	1.4
185.13210	0.4
186.01234	0.7
187.00473	1.1
187.02003	0.6
189.00085	0.5
189.01953	0.6
189.03589	1.1
191.01614	0.4
192.99480	2.0
193.03053	0.6
195.01135	0.7
196.98952	0.9
197.02492	0.9
199.00502	1.3
199.02045	0.9
200.02789	1.3
200.98389	0.5
201.02017	0.6
201.03662	2.1
203.05136	0.5
205.03154	0.7
207.01024	1.3
208.98978	0.5
209.02596	1.4
211.00468	0.9
212.02789	1.0
213.02124	0.7
213.03743	3.0
214.04213	0.5
215.01839	0.6
215.03583	1.7
215.05444	2.1
216.99527	0.4
217.03166	0.7
219.01039	0.6
220.98866	0.5
221.02646	0.7
222.02405	0.4
223.04152	0.6
224.03133	0.4
225.03764	2.2
225.05591	0.5
227.05266	6.4
229.06844	1.2
235.04207	0.7
237.01840	1.8
237.05788	0.8
239.05307	3.1
240.06065	0.5
241.04823	0.6
241.06740	1.6
245.04564	0.7
249.05832	0.5
251.03569	0.7
252.05957	0.6
253.05064	2.8
255.06819	1.3
257.04681	0.5
259.06314	1.5
267.06689	2.5
269.04697	0.4
271.06271	11.0
273.05768	1.2
273.18604	0.9
275.07281	3.3
275.20090	0.8
277.06900	1.0
279.08450	2.7
281.09750	1.3
283.06543	0.5
285.07870	1.2
289.08752	1.3
291.06741	0.6
291.19565	1.3
293.08307	0.5
294.07858	1.5
297.07867	0.8
299.10934	2.3
309.09521	0.4
317.12085	0.6
325.09039	0.5
327.10376	1.0
329.12003	2.7
345.11301	1.7
346.13300	1.0
347.13025	100.0
348.13239	2.0
349.16989	0.8
364.14505	1.0
365.14081	21.3
366.14145	0.5
367.18051	0.4
383.15158	2.1
388.15646	8.2
406.16849	1.1
471.13910	0.4
482.15576	0.5
497.18451	0.5
509.51740	0.4
639.41760	0.4
657.42285	0.8
673.44104	0.4
675.26031	0.7
675.46173	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.5
67.05500	1.2
69.02553	0.3
69.03419	0.8
69.07046	0.4
70.06579	1.0
70.72884	1.1
72.08146	0.5
79.05485	1.0
81.03419	0.9
81.07043	1.1
82.06574	0.3
84.04515	0.3
84.08134	0.4
84.60614	0.3
85.02903	1.0
87.41999	0.4
89.05992	0.4
91.05485	1.0
93.07040	1.2
93.46566	0.3
94.06559	1.5
95.04972	0.4
95.07330	0.9
96.08127	2.3
97.02886	0.5
97.06523	0.6
105.07002	0.5
105.87154	0.4
107.04935	2.4
107.08602	0.4
108.08104	2.6
109.10177	0.9
110.07215	0.4
110.09669	3.8
120.04446	1.1
120.08102	3.7
122.06028	0.8
122.09636	0.9
124.07592	1.1
132.08089	0.5
136.07565	4.2
138.09122	5.9
144.04478	0.4
146.06000	0.4
148.07558	1.2
148.29550	0.3
150.09158	1.1
152.07088	0.7
152.10648	0.4
162.05562	0.4
164.07115	0.5
166.08629	6.8
172.03928	3.4
173.11737	0.4
176.07140	0.4
180.10281	0.6
182.11821	0.4
185.10846	0.4
190.05048	1.3
194.08148	0.5
196.09796	0.7
197.10864	0.4
201.67010	0.4
204.06552	5.4
209.10846	0.5
211.08731	0.5
211.12305	0.5
212.09380	0.6
223.08640	0.6
223.12419	0.5
224.09384	0.8
225.10220	2.1
226.11067	0.6
227.11842	1.4
235.08708	0.5
236.09380	0.6
237.10162	3.3
238.10954	0.9
239.08101	0.6
239.11723	2.2
241.09732	0.8
241.13397	0.5
245.12767	0.5
248.09393	0.8
249.10196	2.5
250.11024	0.9
251.08167	1.2
251.11812	2.6
252.08844	0.6
252.12483	0.5
253.09702	2.8
253.13382	0.4
255.11388	0.7
259.10730	0.4
261.10190	1.1
262.11020	0.5
263.11780	1.5
264.08774	0.4
265.09747	4.4
266.10483	1.1
267.11295	2.9
269.09174	0.5
269.12872	1.2
271.10880	1.6
273.12402	0.5
277.09836	1.2
278.10410	2.0
279.07727	1.8
279.11307	4.6
280.08801	0.4
280.12003	1.2
281.09268	1.6
281.12854	1.1
282.09918	0.4
283.10788	3.7
284.11429	0.5
285.12338	1.7
287.13840	3.3
289.09619	1.9
291.11362	0.9
293.09274	1.5
293.12863	2.4
294.09991	2.5
295.10645	1.9
296.11609	1.1
297.12354	1.5
298.09433	0.6
299.10324	1.3
299.13681	0.6
301.11807	0.4
306.09943	0.9
307.10797	1.5
309.12225	2.2
311.10245	3.8
311.13681	0.7
312.11020	1.3
313.11926	1.7
314.12616	1.4
315.13425	0.6
316.14584	0.4
321.12506	0.4
323.10321	0.9
323.13809	0.8
324.11032	1.4
325.11783	2.4
326.12665	3.1
327.13342	5.5
328.14020	0.5
335.10294	3.9
337.11935	0.6
339.13382	25.1
340.10602	1.3
340.14154	0.6
341.15082	0.4
342.12335	0.6
343.12936	0.5
352.10623	0.6
353.11398	1.0
354.12161	2.2
355.12836	6.8
356.13730	0.8
357.14346	1.7
358.15167	0.4
367.12872	12.7
371.12390	1.3
371.16428	0.8
372.16824	0.5
373.13998	0.7
376.16760	0.4
386.14883	1.1
387.15433	1.9
398.15070	0.8
399.15659	4.2
400.16516	0.6
404.15802	0.4
412.16901	0.4
416.16000	1.0
418.17700	0.4
428.15625	0.6
446.16702	0.7
447.17789	0.6
451.20871	0.4
452.21997	0.4
458.17120	1.5
460.18689	1.1
464.22189	0.5
474.20313	0.6
479.20743	2.0
488.18198	1.2
490.19965	0.5
490.26965	0.4
492.21582	2.3
495.16507	0.6
502.19974	0.5
513.17554	0.6
520.20782	8.1
552.23383	100.0
553.23853	2.8
611.25031	4.2
643.27301	1.7
675.30627	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83107	0.4
55.34302	0.4
62.40479	0.4
62.77264	0.4
67.05529	0.4
67.48203	0.4
70.85207	1.2
75.21979	0.4
79.05486	1.0
81.07056	0.5
82.51795	0.4
84.89795	0.4
91.05471	0.5
93.07050	1.5
94.06564	1.6
95.07322	1.2
96.08119	3.6
103.05414	0.4
103.81023	0.5
106.06504	0.5
107.07359	0.5
108.08095	3.0
110.09673	5.7
110.41116	0.5
120.04457	2.1
120.08084	4.4
122.09679	0.6
124.07587	1.2
132.07961	0.5
136.07564	4.3
138.09116	9.2
146.06027	1.0
148.07585	1.7
150.09128	1.2
152.07074	1.1
152.10684	0.5
164.07156	0.6
166.08617	8.5
172.03931	1.6
175.86009	0.5
176.07048	0.4
180.10216	0.5
182.11734	0.7
190.05034	1.2
191.90930	0.5
194.08098	1.2
196.09790	0.7
197.10785	1.0
204.06549	1.9
209.10698	0.5
211.12314	0.8
212.09486	0.8
213.10297	0.5
213.62726	0.4
221.10794	0.4
221.82330	0.5
222.07962	0.5
223.08813	0.7
223.12288	0.7
224.09355	0.9
225.10144	2.4
226.10861	0.6
227.11861	1.5
233.10500	0.5
235.08635	1.2
236.09505	0.8
237.10213	5.0
238.11000	1.4
239.08159	1.2
239.11812	2.5
241.09711	1.2
241.13264	0.4
245.12834	0.5
248.09227	1.0
249.10196	5.0
250.10999	1.2
251.08076	2.2
251.11787	3.9
252.08907	0.7
252.12729	1.2
253.09720	3.8
253.13576	0.5
254.10474	0.7
255.11360	0.8
259.14453	0.6
261.10199	2.4
262.11008	1.0
263.08218	0.6
263.11816	3.4
264.09012	0.5
265.09689	6.7
266.10504	1.7
267.11325	5.1
268.12051	0.6
269.09360	0.6
269.12918	1.3
271.10822	2.2
277.09732	2.4
278.10526	3.0
279.07718	3.3
279.11310	8.7
280.12103	2.4
281.09302	2.4
281.12894	1.9
282.10083	1.1
283.10709	5.6
284.11548	0.5
285.12308	1.0
287.10901	0.6
287.13828	2.3
289.09702	4.6
291.08392	0.5
291.11197	2.5
292.08676	0.5
293.09232	1.7
293.12881	4.1
294.09952	4.0
294.13123	0.7
295.10699	3.5
296.11438	2.7
297.08984	0.8
297.12390	2.2
298.09607	0.5
299.10257	1.7
306.09891	1.4
307.07709	0.5
307.10721	2.3
308.11508	0.7
309.09290	0.5
309.12256	2.7
310.12997	0.5
311.10278	5.9
311.13962	2.4
312.10999	2.7
313.11752	1.5
314.12677	1.9
315.13388	1.0
317.05591	0.5
321.12283	0.8
323.10205	2.0
323.13983	1.5
324.11050	2.5
325.11703	2.6
326.12598	4.1
327.13339	7.7
328.14169	0.9
335.10141	7.6
336.10858	0.7
337.11996	0.6
339.13351	43.4
340.10538	2.2
340.14139	0.7
341.11414	0.6
342.12283	0.7
352.10590	0.9
353.11472	1.1
354.12128	4.9
355.12860	13.1
356.13766	0.6
357.14804	0.5
367.12851	28.0
371.12238	0.7
398.14969	1.1
399.15704	1.7
402.18182	0.6
414.18103	0.6
416.16098	1.4
421.25793	0.5
446.17166	0.8
447.17825	0.9
451.21539	0.7
458.17319	1.8
460.18686	1.3
464.21664	0.6
479.20496	2.9
480.21323	1.0
488.18112	8.1
490.20584	0.6
492.21271	4.2
520.20776	100.0
521.21362	3.4
538.21783	2.9
552.23358	35.0
553.23950	1.1
585.28784	0.6
611.24896	5.3
675.31903	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56226	1.4
52.01931	1.2
53.03941	1.4
55.01868	1.7
55.05518	2.4
57.03439	1.9
67.05501	7.3
68.06399	1.4
69.03434	1.4
70.06589	9.2
71.04993	1.6
71.21211	2.8
72.08123	2.2
79.05491	6.1
80.05022	4.1
81.03408	4.0
81.07066	4.7
82.06561	2.5
83.08625	2.2
84.04510	2.4
84.08129	4.6
85.02880	4.3
86.09708	5.0
91.05482	7.9
93.05798	3.4
93.06538	1.2
93.07014	8.3
94.06555	13.9
95.04984	4.3
95.07348	6.5
95.08589	2.0
96.08135	18.9
97.02903	2.1
97.06535	2.8
103.05444	2.5
105.07056	4.8
106.06551	1.7
107.04967	7.5
107.08591	1.4
108.04505	2.1
108.08110	32.1
109.10142	1.8
110.06045	2.3
110.07130	1.5
110.09674	29.4
118.06535	1.7
119.08558	1.6
120.08105	25.8
121.10201	1.8
122.06018	15.0
124.07594	2.9
127.04020	1.5
134.06038	2.1
135.35413	1.3
136.07567	34.3
138.05466	1.5
138.09128	28.7
145.05023	1.5
146.06017	2.6
148.07622	6.5
152.07077	2.4
160.07600	1.7
162.05513	1.8
164.07085	5.6
166.08630	37.3
166.09914	2.7
188.07150	2.5
190.05054	1.4
194.04785	3.1
204.06635	3.1
204.10207	2.9
211.08694	3.0
213.10240	2.3
221.07318	1.7
221.10873	2.9
225.10178	2.3
235.08647	5.2
236.09520	3.7
237.10233	3.8
238.11153	1.7
241.09669	1.4
247.08690	5.0
248.09512	5.4
249.10219	31.6
250.10881	7.4
251.08171	2.2
251.11847	9.9
252.12543	1.7
253.09558	1.5
259.10751	1.7
261.10266	6.8
262.11108	3.1
263.11807	14.0
264.08881	2.9
264.12659	2.6
265.09689	6.0
267.11374	2.1
267.16025	1.8
269.09247	1.5
275.08154	3.4
277.09695	23.3
277.12509	2.0
278.10403	6.9
279.08521	1.9
279.11203	11.6
280.12003	2.1
281.09201	1.8
281.12790	1.4
285.12589	2.1
289.09763	4.4
291.11221	10.6
292.12183	2.6
293.09235	3.7
293.12817	4.5
295.10803	4.2
297.12375	2.9
300.11539	2.5
300.14996	1.6
301.11981	1.8
305.09241	2.3
307.10721	3.9
309.12265	11.5
310.13092	4.7
311.14084	1.7
312.14828	1.5
313.12186	3.2
314.12946	3.1
317.09238	1.8
321.08768	2.2
323.10294	2.0
324.11359	2.8
324.14908	2.9
325.12076	6.7
326.12927	4.1
327.14261	3.1
328.10828	5.0
328.14478	7.6
329.11871	2.0
330.12561	2.5
330.16299	2.1
335.10251	2.8
337.11996	5.2
338.12894	5.9
339.13608	5.7
340.14566	9.2
341.11716	5.2
341.15561	2.2
342.12363	9.2
342.16068	3.5
343.13327	4.3
344.14014	4.3
344.17642	2.0
346.15866	1.6
346.20337	1.5
351.13629	1.8
352.14426	8.7
353.11539	1.6
353.15463	3.0
354.12317	5.3
354.16101	5.4
355.12927	8.9
356.10077	1.8
356.13992	14.2
356.17572	2.3
357.14566	6.1
358.11609	2.3
358.15659	3.1
366.12482	3.2
367.13351	2.9
368.14035	10.8
369.14886	5.2
370.11636	4.7
370.15555	11.5
371.12415	2.8
371.16434	3.7
372.13068	2.7
372.17239	8.6
375.12054	1.6
379.13190	2.1
380.14020	4.8
381.14801	3.6
382.11432	3.1
382.15939	8.9
383.12848	5.7
384.13046	11.6
384.17276	3.5
385.14081	6.0
385.17932	4.7
386.14963	5.2
386.18973	3.4
388.16956	1.8
395.13028	2.3
396.13583	5.0
397.14160	5.6
398.15067	17.9
399.16000	8.6
400.13129	2.1
400.16846	15.2
401.13107	1.8
402.14188	2.5
408.13440	3.5
410.14935	6.1
411.16019	2.0
412.12524	4.3
412.17120	3.0
413.17361	4.7
414.18121	6.4
416.16000	8.3
417.16647	3.3
426.14505	15.7
427.14566	3.2
428.15988	16.0
429.16818	2.2
430.13556	2.4
430.18600	2.1
436.13312	2.1
437.13287	1.7
440.16119	2.6
442.18195	17.3
443.18323	5.6
444.15411	8.2
444.19965	3.7
445.16727	1.8
446.16998	4.1
454.13977	38.8
455.14108	2.7
458.17331	3.5
460.19046	24.3
468.15390	4.8
470.17126	5.0
472.15024	100.0
473.15253	3.6
474.16400	17.6
476.18549	1.8
486.16577	13.0
487.17389	8.9
488.18164	31.1
490.15869	2.3
492.17648	48.3
495.16946	2.4
504.17627	55.1
505.17288	1.9
506.19095	2.4
518.19000	4.9
522.18652	4.9
534.18842	2.1
563.23254	2.3
579.22418	3.2
581.23468	6.9
597.22766	2.8
599.25159	16.5
607.21887	18.1
611.25183	7.0
625.23004	40.8
629.25604	3.5
639.24536	25.9
640.25055	1.7
643.23926	16.0
657.25543	87.0
658.25464	4.2
675.32513	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	674.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40931	1.4
55.05493	2.0
57.07077	35.4
69.07087	1.9
71.08633	24.5
71.59958	1.5
72.42030	1.2
73.06556	11.3
73.14639	1.1
75.10893	1.2
83.08609	1.7
85.10178	18.8
86.09711	1.8
87.04472	8.4
89.06032	100.0
91.07587	1.3
97.10163	3.2
99.11710	3.9
107.07076	5.6
117.09123	8.2
124.99961	1.8
130.08621	3.4
131.07056	2.5
133.08609	46.8
135.10210	1.6
143.18430	1.4
150.78839	1.1
155.17964	5.5
159.07761	1.4
161.11678	1.9
175.09712	1.3
177.11237	17.7
184.07318	7.6
185.07709	2.5
186.07684	1.2
199.20602	4.8
221.13789	2.0
239.14848	1.6
243.23254	5.8
283.17639	1.5
287.25873	3.3
646.77887	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	8.1
53.91160	4.4
55.01870	7.0
55.05516	21.5
57.03435	45.3
61.02930	92.1
62.43201	4.4
65.03947	4.2
67.05499	36.2
69.03420	29.6
69.07062	15.7
69.47114	4.1
70.06588	31.9
70.19650	12.2
70.20051	7.3
71.01353	5.2
71.04979	8.3
72.08170	8.0
73.02918	25.0
79.05498	46.3
81.03400	23.1
81.07062	39.8
83.05000	5.7
83.08609	8.8
84.08125	11.2
84.64381	4.6
85.02904	86.7
86.09692	19.7
91.03962	38.3
91.05476	57.7
93.07045	49.0
95.04958	16.5
95.08616	27.7
97.02888	66.7
97.06517	5.4
97.10154	5.8
97.49844	4.2
99.04459	10.1
101.02377	5.9
103.03930	6.2
103.05431	5.3
104.10753	5.2
105.07024	70.0
107.04955	28.3
107.08601	24.6
109.02871	14.3
109.10166	6.5
117.07042	23.1
118.15987	5.0
119.08579	51.5
120.08090	9.0
121.06469	6.7
121.10129	15.8
127.03910	33.5
128.06232	7.3
129.06999	20.9
129.10222	6.0
131.04868	6.3
131.08549	33.5
133.06483	7.3
133.10150	27.5
135.11662	6.9
136.07605	5.6
141.07077	6.2
143.08569	17.5
145.04929	26.3
145.06552	6.2
145.10133	35.6
146.97939	4.2
147.04384	4.9
147.11697	26.8
149.09645	12.0
155.08594	6.6
157.10121	22.7
159.11705	31.1
161.13290	13.8
163.11176	7.5
169.10147	5.2
171.11630	8.7
173.13263	17.2
179.05026	4.3
183.06567	6.8
183.11751	10.7
184.07349	12.4
185.13283	26.9
187.11177	5.0
189.11295	4.3
197.13266	5.2
201.07555	7.5
201.16388	6.2
203.14330	24.0
219.17470	18.2
239.17993	9.6
249.15312	4.2
255.17633	4.9
257.18930	34.7
275.20056	97.6
277.18069	7.3
309.18439	4.8
349.23761	100.0
383.22455	5.3
391.24451	6.9
457.25565	8.4
486.02585	5.0
493.28113	13.8
673.35065	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	672.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.7
58.06623	0.6
60.08165	7.1
67.05495	1.0
69.84706	1.2
71.07381	3.2
77.37273	0.2
79.05493	0.4
81.07061	0.4
86.09708	34.6
91.05472	0.3
93.07038	0.4
95.08640	0.2
98.98470	3.4
104.10733	1.8
104.61864	0.2
105.07021	0.3
109.10146	0.5
111.03476	0.2
113.11043	0.2
125.00005	22.8
125.66511	0.2
143.01031	0.4
145.12338	0.2
156.14677	0.2
184.07341	100.0
185.07626	0.7
294.69489	0.2
354.99234	0.2
385.11188	0.2
412.21350	0.3
672.42365	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	673.3406
Annotation	(-)-Flexicorine
Peak:m/z	Relative Intensity
53.03948	1.1
55.01876	0.6
55.05513	2.0
57.03436	1.8
59.05006	1.1
61.02924	4.0
65.03948	0.4
65.63593	0.3
67.05502	7.7
69.03416	3.2
69.07079	0.7
70.06589	1.3
71.01358	0.4
71.05002	1.1
71.59965	0.5
72.08160	0.6
73.02914	3.3
79.05492	2.8
81.03419	3.9
81.07044	3.2
83.04978	0.9
83.08623	1.6
84.08148	0.5
85.02908	5.3
85.06533	0.7
86.09686	0.7
87.04460	0.4
90.94839	0.6
91.03947	2.1
91.05466	2.9
92.43071	0.4
93.07038	2.4
95.04974	1.7
95.06075	0.6
95.08609	2.1
95.09135	0.4
97.02901	3.7
97.06522	0.9
99.04461	0.8
101.02372	1.1
103.05472	0.5
105.07025	2.4
107.04941	2.0
107.08607	1.5
109.02893	0.9
109.06528	1.0
109.10154	7.2
111.08052	0.9
112.08759	0.4
115.03954	0.5
115.05441	0.5
119.08575	2.4
121.06480	0.9
121.10184	1.6
122.06077	0.5
123.08086	0.5
123.11685	0.4
124.07655	0.5
125.09623	0.7
127.03921	1.5
129.05484	0.4
129.07018	0.8
131.08582	1.2
133.10176	1.0
135.11673	0.5
136.07625	0.5
137.09624	0.8
138.09109	0.4
141.47040	0.4
144.04477	0.4
147.11688	1.0
149.09642	1.6
155.10590	0.4
157.10132	0.6
163.11156	0.4
166.08632	0.6
168.52751	0.4
171.11853	0.3
172.04007	1.1
173.04428	0.5
173.11792	1.7
175.11195	0.9
184.11064	0.4
193.12323	1.5
195.09924	0.7
198.09216	1.2
203.05316	0.5
204.06561	1.8
210.72963	0.4
215.11784	1.0
229.14417	1.3
238.07394	0.4
243.08499	1.7
243.11359	5.7
245.04918	0.6
253.14278	0.5
259.12027	0.4
265.05377	0.7
267.16013	1.4
269.12827	0.5
283.06204	2.5
283.15256	2.9
285.12381	4.9
293.09164	0.4
301.07312	0.5
313.11887	0.4
315.13672	0.5
317.14954	5.4
339.17929	0.8
355.09296	0.4
413.17770	10.2
416.81699	0.4
441.20813	0.4
501.23050	8.3
501.30298	0.5
511.28448	0.5
655.26385	0.6
673.34027	100.0
674.34143	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.8
57.03424	3.2
57.07078	34.0
61.02929	11.9
65.86916	0.7
67.05505	8.5
69.03440	0.7
69.07064	7.0
71.08632	28.9
71.58651	1.2
73.02904	3.2
74.65997	0.8
75.04478	2.0
79.05532	0.7
81.07058	14.3
83.08619	8.9
85.02907	12.8
85.09715	1.3
85.10183	14.2
91.03955	10.4
93.07058	0.8
94.28428	0.7
95.08606	19.9
95.09171	1.5
97.02901	6.2
97.09624	0.6
97.10144	4.6
99.04443	1.4
99.11742	0.9
103.03884	1.0
109.10165	9.6
111.11752	0.7
112.44711	0.7
123.11699	3.8
127.03920	3.7
137.13258	1.7
145.04984	6.7
150.94460	0.7
151.14822	0.9
152.98849	0.8
163.06015	8.3
221.22624	1.2
239.23682	22.2
257.24777	2.2
267.34445	0.7
298.27341	1.1
313.27371	100.0
314.27707	0.8
331.28436	22.1
331.32379	1.4
437.05276	0.7
475.32770	2.6
579.17639	0.8
704.20483	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.01855	1.5
55.05515	5.7
57.03445	4.2
57.07074	41.2
57.92221	0.7
61.02641	1.0
61.02927	16.1
67.05159	1.1
67.05499	12.7
69.03418	3.1
69.07067	8.6
69.93488	2.4
69.93900	1.8
70.04063	0.8
71.04991	0.9
71.08630	32.4
72.08123	0.8
73.02909	6.8
73.06531	1.0
75.04060	0.8
75.04470	2.6
79.05496	3.6
81.03401	2.1
81.07053	17.0
83.08619	11.8
85.02424	1.1
85.02901	17.9
85.06552	0.8
85.10181	20.7
87.04479	1.8
89.06034	6.7
91.03954	13.6
91.05476	1.3
93.07028	2.3
95.04956	1.8
95.08607	25.0
97.02882	8.7
97.10186	5.3
99.04471	0.9
99.11713	0.9
105.07030	7.0
107.04960	1.2
107.08613	1.4
109.02870	0.8
109.10158	11.5
111.05664	0.7
111.11720	1.1
117.06988	1.1
119.08583	1.0
121.06476	0.9
123.11699	5.5
127.03922	5.0
129.07071	0.9
131.08517	1.0
133.08553	1.5
137.13249	2.4
145.04951	7.8
149.09607	0.8
151.14825	0.9
163.06024	11.3
165.16347	1.2
181.03842	0.8
197.18161	0.7
221.22694	1.8
221.52225	0.8
239.23691	24.9
257.24731	3.4
293.37677	0.7
313.27347	100.0
314.27765	2.4
331.28400	32.6
423.15036	0.8
633.33899	1.5
633.84174	1.6
636.39856	0.8
672.42041	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.6
53.03936	1.0
55.01851	0.3
55.05488	0.2
57.07065	0.3
59.04984	0.2
65.03377	0.2
67.05492	0.5
69.03408	0.3
69.07068	0.3
69.47984	1.7
70.63539	0.2
73.02911	0.6
73.06555	0.8
77.03913	0.4
79.05486	5.6
81.03439	0.3
81.07047	0.7
86.09701	0.4
87.04465	5.5
89.06025	42.5
91.05472	7.0
91.07640	0.2
93.07035	2.4
95.04968	3.0
95.08613	0.2
98.20737	0.4
103.05457	6.0
105.07022	100.0
106.07375	0.5
107.04958	1.7
107.07051	1.5
107.08580	0.3
115.05455	0.3
116.06156	0.2
117.06989	1.2
117.09132	0.4
119.04947	1.6
119.08567	3.5
121.06494	18.9
125.00007	0.3
126.44655	0.2
128.06239	0.6
129.06989	2.5
130.08659	0.7
131.07071	1.8
131.08560	5.2
132.05679	0.5
133.08592	29.1
133.10199	0.9
135.08023	0.6
135.10184	0.3
145.06474	1.1
147.08037	25.9
149.09610	5.8
151.09726	0.2
163.11186	0.5
165.07001	0.5
165.09097	2.2
166.07693	0.4
167.10721	0.3
173.09610	0.4
175.09715	1.0
175.11003	0.3
177.11203	10.8
179.08537	0.2
181.10063	1.0
184.07378	1.3
191.10677	0.6
192.09447	0.3
193.12225	0.4
195.12103	0.2
207.11763	0.3
208.08736	0.3
209.11694	1.2
209.13391	0.3
221.13809	1.8
222.10493	0.3
223.11148	1.5
225.12729	14.2
227.12749	0.3
235.13103	0.3
236.11835	0.2
239.14847	0.5
249.12714	1.7
251.14302	2.6
253.14272	0.4
255.16002	0.4
265.16458	0.3
267.13864	0.3
269.15350	4.5
271.15302	0.5
279.15872	0.2
283.17529	0.7
295.16742	0.5
297.16763	0.2
299.18594	0.4
309.19138	0.4
311.16357	0.4
313.17981	1.7
315.17853	0.6
327.17096	0.4
329.18616	0.3
341.19513	0.3
359.20547	0.8
373.21548	4.6
403.23184	0.5
419.24261	0.3
439.78635	0.2
447.25781	3.0
452.64819	0.3
463.26553	0.6
507.29352	0.4
551.32098	3.5
655.38428	0.9
672.40912	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.5
52.54042	0.2
52.68411	0.2
53.03938	0.7
59.04993	0.4
61.17572	0.2
67.05514	0.3
70.03652	1.0
71.49530	0.2
73.06548	0.2
77.03934	0.6
79.05487	4.9
87.04465	3.8
89.06027	23.9
91.05484	2.3
91.07562	0.2
93.07047	2.1
95.04968	2.5
103.05461	3.9
105.07024	100.0
106.07378	1.2
107.04996	0.2
107.07082	0.9
111.51276	0.2
117.07007	0.4
119.04901	0.5
119.08571	0.6
121.06496	12.5
129.06978	0.6
130.08617	0.5
131.07018	0.8
131.08568	2.9
133.08595	16.7
145.06444	0.2
147.08047	2.3
149.09608	0.6
163.11223	0.2
165.07051	0.4
165.07655	0.3
165.09106	5.2
166.07813	0.6
167.10649	0.3
169.10065	0.3
171.91534	0.2
173.09531	0.2
175.09660	0.5
175.11101	0.2
177.11209	5.4
177.12657	0.4
179.08559	0.3
181.10092	0.3
191.10710	0.4
193.12329	0.3
209.11707	2.0
209.13347	1.0
221.13881	0.7
223.11191	0.8
225.12730	4.6
227.12804	0.4
236.05721	0.2
239.14966	0.3
251.14281	3.3
253.16167	0.3
269.15344	5.1
271.15405	2.1
313.18002	1.5
315.17969	1.1
327.17438	0.5
329.19080	1.7
342.72641	0.2
359.20615	11.3
373.21747	1.5
419.24255	0.4
463.20291	0.4
463.26883	6.3
477.27332	0.3
599.64447	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.1
51.02383	0.4
53.03942	0.8
53.15212	0.1
57.01205	0.1
59.05000	0.2
60.15502	0.1
67.05505	0.3
69.03419	0.2
69.40339	1.2
69.72911	0.1
73.06554	0.4
77.03933	0.7
79.05487	5.1
81.07064	0.2
87.04460	4.0
87.04957	0.3
89.06024	22.7
91.05467	1.9
93.07041	2.1
95.04968	2.3
103.05460	4.3
103.06130	0.3
105.07020	100.0
106.07362	0.5
107.04935	0.2
107.07063	0.8
115.05413	0.2
117.06990	0.4
117.09216	0.2
119.04955	0.4
119.08541	0.8
121.06493	10.9
129.07007	0.8
129.71391	0.2
130.08615	0.8
131.07054	1.0
131.08557	2.8
133.08591	15.3
135.08044	0.3
135.10066	0.1
145.06483	0.3
147.08046	1.8
149.09615	0.5
165.06935	0.5
165.09105	4.9
166.07765	0.5
167.08484	0.2
167.10605	0.2
169.10123	0.3
175.09624	0.8
175.11058	0.3
177.09625	0.3
177.11208	5.3
181.10059	0.2
191.10704	0.3
197.13286	0.2
209.11676	1.8
209.13324	1.0
221.13818	0.4
223.11171	0.9
225.12715	4.7
227.12749	0.3
235.13132	0.3
239.14587	0.1
251.14288	2.8
253.14136	0.5
253.16154	0.3
255.16083	0.2
267.14032	0.2
267.17300	0.2
269.15344	5.0
271.15375	1.9
295.16763	0.3
313.17926	1.4
315.17969	1.0
327.17325	0.6
329.18948	1.6
357.20425	0.2
359.20596	10.6
360.20862	0.3
370.39719	0.2
373.21521	1.3
375.21176	0.3
419.24118	0.4
463.26901	5.1
477.28098	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
53.76884	0.2
55.01869	1.6
55.05481	0.2
57.03428	1.0
61.02922	1.3
65.03921	0.2
66.18271	0.1
67.05481	0.2
68.99754	0.7
69.03423	6.9
70.06557	0.7
71.04572	0.4
71.04957	1.0
71.05289	0.2
72.08114	0.2
73.02911	1.4
79.01830	0.2
79.05463	0.2
81.03412	8.7
81.07012	0.5
82.03741	0.2
83.01324	0.3
84.08121	0.4
85.02898	10.3
86.09666	0.5
87.00825	4.8
87.04432	0.4
91.03928	0.3
93.03369	0.5
93.06934	0.2
95.04937	0.2
95.08585	0.3
97.02300	0.2
97.02884	4.1
99.04449	2.2
99.42992	0.2
101.02361	0.3
105.01197	0.2
105.01857	2.8
107.01264	0.3
107.04939	2.0
107.08533	0.2
109.02869	7.0
109.10097	0.2
115.03931	0.3
117.01812	0.7
118.06495	0.4
121.02862	1.6
122.03602	0.2
123.04440	0.4
125.02259	0.3
127.03905	8.8
129.01790	0.7
129.10246	0.2
131.04907	0.2
137.02242	0.4
145.04962	2.4
146.06001	0.3
147.02826	0.8
147.04327	0.2
149.02307	0.3
150.03075	0.5
151.03889	3.6
151.05014	0.2
153.01772	0.5
155.03366	0.4
159.02878	4.6
161.02287	0.5
165.01817	2.1
166.02611	0.3
177.05406	0.3
183.02925	1.4
183.04362	0.3
188.07138	0.3
202.06215	0.2
203.07027	0.3
213.03830	0.5
213.05493	0.4
227.03430	0.3
230.05701	0.7
230.15289	0.2
231.04689	1.0
240.04143	0.3
241.04948	0.8
245.04459	0.8
255.06551	0.2
257.04431	0.3
258.05237	1.1
259.05997	0.7
269.04413	0.5
273.04132	0.4
273.07553	0.8
274.04495	0.2
283.06122	0.3
285.03979	0.8
286.04715	3.3
297.03870	0.7
301.03308	0.2
301.07001	0.4
302.04181	0.5
311.05481	0.2
314.04178	15.8
315.04831	1.8
317.06512	0.2
322.19797	0.2
329.06519	58.3
330.06909	1.8
343.56711	0.2
349.06927	0.2
359.08063	0.2
371.07642	0.2
391.08218	0.4
408.08276	1.1
409.09167	0.8
423.10699	100.0
424.11105	3.3
465.11615	0.4
509.26437	0.2
670.88330	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01868	0.9
55.05492	0.4
57.03403	0.7
61.02919	0.8
65.03916	0.3
67.05509	1.3
68.99762	0.5
69.03083	0.3
69.03426	3.6
69.07052	0.3
69.58973	1.0
70.06566	0.6
71.04953	0.7
73.02919	1.1
79.05486	0.8
81.03416	4.5
81.07049	0.8
83.04967	0.2
83.08599	0.2
84.36961	0.2
85.02904	5.6
86.09680	0.3
87.00378	0.2
87.00832	1.8
87.04462	0.2
91.03926	0.4
91.05445	0.5
93.03354	0.2
93.07011	0.6
95.04971	1.2
95.08568	0.6
97.02894	2.6
97.10127	0.2
99.04456	1.5
105.01864	1.5
105.06996	0.6
107.04952	13.2
107.08551	0.5
108.05334	0.2
109.02876	3.4
109.10120	0.6
111.04374	0.3
117.01843	0.4
117.06985	0.2
119.08568	0.4
120.08085	0.2
121.02856	1.3
121.06508	0.2
121.07674	0.2
121.10126	0.4
123.04456	1.0
123.08041	0.2
124.01501	0.2
125.02309	0.5
125.09668	0.2
127.03909	4.0
129.01811	0.5
129.06953	0.2
131.08553	0.2
133.10117	0.3
134.99669	0.2
135.11700	0.2
137.02336	2.5
139.03857	0.2
145.04948	1.0
145.06084	0.1
145.06294	0.1
145.10088	0.3
147.02847	0.2
147.11627	0.2
149.02307	0.5
149.09608	0.2
151.03868	0.9
159.02898	1.4
159.08043	0.2
159.11775	0.2
163.03899	0.5
163.11136	0.2
164.58397	0.2
167.01976	0.2
167.03383	3.4
173.11644	0.2
179.03371	1.8
180.04204	0.2
187.07588	0.3
193.12125	0.2
197.04379	0.7
200.04686	0.3
209.04347	0.2
215.06985	1.3
219.06689	0.2
227.12738	0.2
228.04117	0.2
229.14357	0.4
231.04865	0.2
233.07996	0.2
242.05704	0.3
243.06531	3.8
256.03781	0.2
257.04443	0.2
259.06213	0.3
261.07507	0.6
267.15881	0.2
271.06003	1.8
273.03998	0.3
274.04703	2.3
281.06738	0.2
284.02994	0.2
288.06299	0.9
289.06995	0.5
299.05408	1.2
299.08264	0.2
302.04230	2.5
316.05798	1.3
317.06540	100.0
318.06900	2.2
329.06601	0.6
423.10727	28.8
424.11472	0.8
459.27243	0.2
499.14249	0.3
553.80389	0.2
671.34430	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	671.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	0.1
53.03941	1.6
55.01865	1.6
55.05488	0.2
57.03433	1.1
57.86231	0.1
58.06969	0.1
61.02916	1.0
65.03901	0.2
67.05475	0.3
68.99786	0.8
69.03421	6.1
70.06575	0.2
70.52024	0.2
70.52375	0.3
71.01334	0.2
71.04980	1.0
73.02552	0.1
73.02906	1.5
79.05470	0.2
81.03407	7.8
83.01316	0.2
83.04952	0.1
85.02895	9.7
87.00820	4.5
87.04436	0.2
91.03915	0.4
91.04445	0.1
91.05429	0.2
93.03364	0.3
95.04937	0.3
97.02882	3.4
97.36568	0.1
99.03851	0.1
99.04449	2.4
101.02332	0.1
103.03904	0.2
105.01859	2.2
105.03345	0.2
107.04946	1.3
109.02863	6.3
109.10135	0.2
111.04379	0.2
115.03941	0.3
117.01841	1.1
121.02862	1.5
123.04388	0.4
125.02373	0.1
127.03902	8.3
129.01793	0.7
129.06937	0.1
133.02809	0.2
133.06450	0.1
135.04417	0.8
137.02325	10.3
137.03340	0.4
139.03918	0.1
141.06981	0.6
144.07906	0.1
145.04950	2.1
145.06203	0.2
147.02879	0.6
147.04364	0.3
149.02333	2.7
151.03856	0.2
153.05482	0.2
153.06892	0.2
155.03369	0.2
157.06438	0.2
159.02869	3.5
159.04245	0.2
159.07979	0.2
161.02304	0.2
163.03871	0.5
165.05435	0.2
165.06888	0.1
167.03392	1.2
167.04752	0.2
169.05066	0.2
169.06467	1.1
173.05994	0.2
177.03851	0.1
179.03372	3.4
181.06396	0.1
184.05147	0.2
185.05978	0.4
187.07529	0.9
191.03317	0.3
193.05057	0.2
197.04382	1.3
197.05957	1.8
199.07515	0.4
201.05492	0.4
203.07045	0.3
207.02876	0.3
209.04311	0.2
213.03738	0.2
213.05453	0.3
215.07004	0.9
217.08546	0.3
223.03845	0.2
225.05447	1.3
227.07056	0.9
229.04900	0.4
229.14351	0.2
230.05746	0.2
231.04938	1.0
241.04941	0.3
243.06479	1.4
245.08104	0.3
253.04901	0.8
255.06534	0.7
257.04358	0.2
258.05075	0.2
259.05997	0.2
271.05991	1.4
273.07504	0.9
276.90131	0.1
281.04309	0.2
283.05960	0.4
286.04715	0.8
287.05585	0.2
299.05469	10.4
300.05814	0.2
301.06946	0.8
302.04156	0.4
314.04059	0.5
315.04922	0.5
317.06519	3.3
328.05597	0.1
329.06503	59.1
330.06857	1.3
355.67001	0.1
359.07498	0.4
391.08154	0.7
394.10663	0.1
407.07452	0.8
408.08530	0.2
422.09738	0.2
423.10672	100.0
424.10977	2.5
465.11905	0.2
490.07816	0.1
509.10892	0.2
600.31647	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	671.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.3
53.03945	2.3
55.01863	1.8
55.05497	0.6
57.03436	1.6
61.02912	1.1
65.03921	0.4
67.05508	1.5
68.99779	0.8
69.03068	0.5
69.03425	7.3
69.07053	0.5
70.06582	0.7
70.26484	0.8
71.01349	0.4
71.04972	1.3
72.29010	0.2
73.02931	1.3
79.05482	1.3
81.03413	9.1
81.07048	0.9
84.08138	0.4
84.36086	0.3
85.02901	10.7
85.03423	0.5
87.00825	5.5
87.04462	0.5
89.90207	0.2
91.03957	0.6
91.05471	0.9
93.03409	0.5
93.07030	0.8
95.04966	1.6
95.08601	0.8
97.02888	6.2
99.04446	3.0
101.02376	0.4
105.01849	2.8
105.07031	0.8
107.04948	43.3
107.08559	0.5
109.02871	6.4
109.10143	0.6
117.01831	0.8
117.05561	0.3
117.07075	0.4
119.08562	0.5
121.02866	2.0
121.06490	0.3
121.10103	0.3
123.04438	1.3
125.02326	0.8
127.03909	8.8
129.01830	1.0
131.04904	0.4
131.08591	0.5
133.10106	0.4
137.02330	3.3
145.04961	2.6
145.10139	0.2
147.02882	0.4
149.02382	1.7
151.03893	1.1
159.02870	3.0
159.08107	0.3
161.05971	0.3
163.03925	0.5
167.03401	6.0
169.06479	0.9
173.05843	0.3
179.03398	2.1
180.04204	0.3
187.07562	0.8
197.04410	0.8
197.06012	0.9
200.04617	0.4
209.04427	0.4
211.13341	0.4
215.06969	2.0
217.04959	0.5
225.05481	0.5
227.12816	0.4
231.04918	1.1
242.05734	0.4
243.06538	5.8
245.04503	0.3
253.04930	0.3
259.05984	0.4
260.06775	0.5
261.07504	0.7
271.05954	3.4
273.03918	0.3
274.04718	2.8
283.05881	0.3
286.04721	0.4
288.06244	1.9
289.07016	2.3
299.05481	5.9
302.04166	2.9
314.04230	0.9
316.05759	5.4
317.06540	100.0
318.06958	1.7
329.06531	25.5
330.06763	0.4
423.10712	74.3
424.11044	1.3
459.27301	0.6
477.27869	0.3
491.28970	0.4
493.31140	0.7
565.12146	0.4
653.15009	0.3
671.36041	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	671.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
55.01870	1.6
56.11542	0.1
57.03430	1.0
57.03642	0.2
59.46732	0.1
61.02874	0.7
62.37743	0.1
65.03890	0.2
67.05461	0.2
68.99773	0.8
69.03420	5.9
70.06587	0.2
71.01305	0.3
71.04990	0.6
73.02908	1.4
79.05453	0.2
81.03410	8.4
83.01304	0.2
85.02896	8.6
87.00821	4.5
87.04395	0.3
89.22689	0.2
91.03899	0.5
92.49157	0.2
93.03344	0.3
95.04916	0.4
97.02885	3.6
99.04444	2.0
101.02338	0.2
104.38532	0.2
105.01854	2.5
105.03345	0.2
107.04931	0.3
108.44485	0.2
109.02866	5.6
115.03872	0.2
117.01834	1.0
120.80258	0.2
121.02853	1.1
121.38499	0.2
123.04406	0.5
127.03904	8.2
129.01761	0.7
131.08536	0.2
133.02789	0.2
137.01363	0.3
137.02324	3.4
137.03322	0.2
139.03822	0.2
141.06909	0.7
145.04955	2.0
145.06059	0.2
145.06516	0.2
147.02892	0.4
149.01141	0.2
149.02322	4.4
151.03819	0.3
152.06116	0.2
153.06911	0.4
159.02876	3.1
159.08026	0.4
161.02303	0.2
161.05951	0.3
163.03836	0.2
167.03401	0.2
169.06482	1.8
179.03430	0.2
179.04892	0.2
181.06422	0.3
187.07549	1.2
197.04324	0.5
197.05966	3.0
199.07112	0.2
201.05371	0.2
212.04637	0.2
215.07011	1.4
225.05397	1.8
231.04897	1.0
243.06517	2.3
245.04425	0.3
253.04918	0.7
258.05188	0.4
271.06033	1.5
280.16110	0.2
281.04459	0.4
286.04666	1.7
287.05402	0.3
299.05469	20.8
300.05902	0.6
301.07028	0.4
313.03271	0.3
314.04190	4.3
317.06589	0.5
329.06506	100.0
330.06845	3.4
374.53647	0.2
423.10693	28.6
424.11020	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
55.01863	1.5
55.05513	7.8
56.05027	0.9
56.96552	1.2
57.03424	2.9
57.07072	1.1
59.04973	0.8
59.71590	0.6
61.02910	2.7
65.03932	1.1
65.91194	0.7
67.05502	27.7
69.03431	6.8
69.06718	0.9
69.07063	11.3
70.06583	4.1
70.57208	0.7
71.04984	4.9
73.02885	1.2
73.76126	0.8
79.05493	11.3
81.03421	5.4
81.07056	26.4
83.04978	2.0
83.08615	9.8
84.08138	1.1
85.02412	1.2
85.02902	13.9
85.06523	2.0
86.09697	2.0
87.00822	4.7
91.03931	1.5
91.05475	6.8
93.07042	13.9
95.04955	3.0
95.06042	1.0
95.08601	27.1
97.02882	5.8
97.06518	3.9
97.09701	0.7
97.10176	7.1
99.04451	25.0
99.08091	2.3
103.05457	0.8
105.01836	3.8
105.07027	4.9
107.04960	6.8
107.08588	8.8
109.02892	4.2
109.10150	21.3
111.08070	2.4
111.11674	1.4
113.09589	1.0
117.05488	2.5
118.35510	0.7
119.08562	6.1
121.06477	1.6
121.10143	18.6
123.08057	0.9
123.11696	5.6
125.09621	2.5
127.03918	6.0
131.08524	0.8
133.10143	5.6
135.11699	16.5
137.02367	0.9
137.09572	0.8
137.13228	2.7
139.11162	3.5
145.04930	2.1
145.10110	0.9
147.11668	5.0
149.09554	0.9
149.13263	2.9
151.14764	1.0
151.85609	0.8
153.12740	1.5
159.02858	1.6
161.13239	4.9
173.11742	1.4
175.14827	2.7
193.12273	0.8
214.36275	0.8
217.19548	8.4
227.12874	1.0
227.54881	0.7
229.14334	5.6
229.49959	1.0
231.05034	1.0
235.20546	13.3
253.21605	4.2
285.12350	1.2
299.05542	3.0
301.16376	1.0
305.24753	0.8
329.06525	13.0
333.24200	7.5
351.25272	100.0
352.25690	4.9
369.26346	19.5
369.31039	1.2
370.27026	1.0
387.27341	4.7
405.28381	1.6
423.10675	10.1
437.25262	0.9
455.26181	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66715	3.7
55.05503	17.9
57.03434	8.3
57.07065	13.7
58.19994	3.9
61.02921	27.6
67.05502	72.6
69.07058	25.0
69.93214	12.8
69.93627	10.0
70.06577	5.3
73.02920	9.6
76.92736	4.8
79.05475	23.3
81.07057	99.0
83.08597	14.0
85.02901	38.2
85.06536	6.4
91.03951	29.3
91.05474	18.7
93.07053	30.1
95.08604	81.7
97.02885	19.6
97.06518	11.4
97.10159	10.2
99.08079	7.5
105.07007	17.1
107.08596	16.1
109.06448	5.8
109.10164	44.5
113.09653	7.9
115.92592	3.9
119.08557	18.4
121.10165	24.6
123.11695	19.3
127.03878	9.6
127.11131	5.3
133.10161	21.7
135.11710	25.2
137.13258	14.5
143.73586	4.4
145.04968	13.6
147.11649	12.8
149.13237	5.4
151.14809	14.2
159.08026	5.0
161.13290	15.0
163.06036	28.3
175.14813	5.4
189.16432	6.2
202.15895	4.6
217.19521	87.2
235.20558	100.0
235.22771	6.3
290.44006	4.4
309.24182	62.5
320.68689	4.1
327.25101	10.3
419.71072	4.6
471.29547	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	670.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.1
51.02378	0.3
53.03934	0.8
55.01866	0.2
56.05026	0.1
57.03431	0.2
61.02912	0.3
61.27337	0.1
69.03426	1.3
69.55345	0.7
70.06594	0.6
71.04974	0.2
72.08152	0.2
72.78745	0.1
73.02899	0.3
77.03923	0.2
77.94493	0.1
78.03448	0.3
79.04263	0.2
79.05486	1.2
80.05006	0.4
81.03418	0.6
84.08126	0.2
85.02896	3.2
86.09685	0.2
87.04477	0.2
91.05475	0.3
94.56641	0.1
95.04961	1.9
96.04485	0.4
97.02886	1.2
99.04444	0.5
102.61621	0.1
105.04497	0.4
106.02908	2.6
107.04945	100.0
108.05272	1.3
109.02846	0.4
120.08100	0.2
124.03941	32.5
125.04291	0.3
127.03889	0.5
129.10287	0.1
136.03905	0.2
138.05444	0.5
145.04907	0.3
147.04346	0.1
154.04918	0.2
178.08655	0.8
182.04482	0.3
204.06541	0.3
216.81641	0.1
222.07593	1.5
235.96082	0.1
240.08640	35.5
241.08978	0.5
251.09032	0.3
271.23355	0.1
311.05441	0.4
346.12833	4.3
347.12994	0.2
390.78793	0.1
402.13922	4.9
402.19284	0.2
405.09714	0.1
508.18127	1.4
564.18848	0.3
655.10248	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	668.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.3
54.16319	1.3
55.01865	1.7
55.05511	8.2
56.39874	1.3
56.40126	1.5
57.03436	13.4
57.07057	1.9
57.59251	1.3
59.04984	3.3
61.02914	2.9
65.03916	3.5
67.05499	79.0
69.03417	4.3
69.07054	4.0
70.06584	4.8
71.04984	3.3
71.58176	1.3
71.59985	1.6
73.02893	3.1
79.05483	13.6
81.03412	54.3
81.07053	20.9
83.04950	4.6
83.08617	17.5
84.08114	2.0
85.02893	6.4
85.06523	3.1
86.09699	1.7
91.03961	2.0
91.05482	15.5
93.07040	11.9
95.04967	17.6
95.08590	10.7
97.02866	5.2
97.06500	2.0
97.10154	2.1
99.04449	2.0
103.05495	2.1
105.07017	12.3
107.04940	21.4
107.08581	6.9
109.06501	4.2
109.10149	77.2
110.10518	1.6
111.04356	1.6
111.08062	8.2
117.07030	2.0
119.04939	1.4
119.08575	13.2
121.06510	5.4
121.10132	4.6
123.08028	1.9
125.09649	1.5
129.07034	6.6
131.08565	7.5
133.06483	3.7
133.10109	6.1
135.08090	1.3
137.09572	4.6
145.06479	2.9
147.08052	2.2
147.11699	6.3
149.09642	3.2
151.07518	2.5
155.10634	4.4
157.10109	9.1
159.07935	1.3
173.11720	22.2
175.11174	5.8
193.12256	20.1
205.12262	2.0
211.13309	3.2
229.14336	100.0
249.14874	2.5
267.15909	86.1
267.44452	1.6
268.16241	2.0
275.42230	1.5
301.14395	2.7
329.20966	2.5
403.24805	12.8
421.25833	87.6
422.25793	2.8
471.25662	3.7
529.27533	1.9
547.28491	1.6
593.78625	1.4
650.39117	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.5506
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04668	0.2
55.05504	1.9
57.07071	7.7
58.06594	8.0
61.43842	0.2
61.56705	0.2
66.60761	0.2
67.05472	0.5
69.07065	1.6
69.51659	0.9
69.52099	1.0
70.06585	5.4
71.08625	3.8
71.60267	0.2
72.08148	1.2
73.02859	0.5
79.05448	0.6
81.07007	0.4
83.08614	1.3
84.08092	0.8
85.10166	2.1
86.06522	0.3
86.09688	1.3
87.04424	0.5
88.07616	1.9
89.06023	3.6
91.05451	0.2
93.07012	0.4
97.10121	0.7
98.00391	0.3
98.20723	0.3
102.09137	1.0
105.07020	3.0
106.07299	0.3
107.08552	0.2
114.09144	1.1
119.08548	0.2
131.08513	0.3
132.10136	0.5
133.08534	0.7
133.10184	0.3
146.11737	0.5
176.12756	0.3
177.11244	0.3
190.14255	0.3
245.52432	0.2
296.33087	54.3
297.33459	1.2
311.16336	0.3
313.27359	0.4
313.42410	0.3
322.34561	1.0
324.36093	0.7
340.31760	0.4
340.35706	6.1
384.38364	2.4
428.41119	2.1
472.43469	2.8
516.46179	1.6
560.48883	0.8
648.54016	0.5
666.55048	100.0
667.39911	0.6
667.55334	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	667.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16589	1.2
55.47839	1.3
57.07066	2.8
63.37051	1.2
66.92892	1.2
67.05491	3.5
69.07069	1.4
71.60476	1.5
72.04518	3.2
79.05486	2.2
81.07053	2.2
89.06033	1.5
89.46729	1.5
93.07052	2.1
95.08636	2.0
98.36943	1.3
104.20577	1.5
105.07018	3.7
122.67872	1.3
131.08569	1.9
166.38347	1.2
185.98604	1.6
251.36046	1.5
296.29517	11.1
297.29745	9.3
317.21109	2.0
373.23532	4.1
405.23969	1.4
512.54602	1.6
561.00244	1.5
667.45453	100.0
667.54840	5.6
668.45593	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	667.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	1.4
56.13702	1.0
57.07079	2.0
67.05502	2.8
69.07069	3.3
69.30810	11.0
69.56663	0.9
72.59062	1.0
78.37621	1.0
79.05489	2.3
81.07056	3.1
90.27657	1.1
91.05489	2.5
93.07039	2.7
95.08587	1.9
98.20926	4.2
99.54198	0.9
105.07053	2.6
119.08545	1.2
121.10175	1.3
154.74248	1.0
155.56741	1.1
185.11852	1.2
187.67607	1.1
220.65314	1.2
317.20892	9.0
373.23590	3.5
667.45428	100.0
668.45703	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	666.5508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24517	0.7
55.05513	1.4
56.05035	0.7
57.07071	6.9
57.18932	0.5
58.06600	3.0
59.10246	0.5
67.05495	2.5
68.05022	0.9
69.07060	2.5
70.06586	17.9
71.05017	0.6
71.08633	4.0
72.08146	4.8
73.02911	0.7
79.05489	1.5
81.07044	2.1
83.08632	0.8
84.08136	4.6
85.10191	1.9
86.09705	5.9
87.04454	1.8
88.07620	6.0
89.06026	9.8
90.06340	0.5
91.05487	1.1
93.07040	1.8
95.04948	1.1
95.08605	1.4
97.10163	0.6
100.07665	0.8
100.68761	0.6
102.09180	4.6
105.07019	4.7
107.04941	3.7
107.08591	0.6
111.83498	0.6
114.09174	7.5
118.28227	0.6
121.06522	1.7
121.10126	0.6
132.10220	2.5
133.08618	1.8
146.11800	2.2
149.09605	0.6
150.09071	1.2
157.19785	0.5
184.07387	1.6
190.14444	0.8
205.00653	0.7
220.15475	1.1
229.33327	1.0
234.17006	0.8
256.13364	0.8
296.33102	4.7
313.27377	1.6
322.34631	4.8
324.36063	3.4
338.34161	0.6
340.35703	17.2
382.17615	0.6
384.38324	8.6
385.38864	0.9
428.41028	7.2
472.43527	11.9
516.46118	8.0
560.49146	1.8
604.51508	1.1
648.54254	2.1
666.55066	100.0
667.55109	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	666.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.05501	0.8
56.05024	0.5
57.07072	5.4
57.29277	0.2
58.06592	2.3
67.05495	0.5
68.05013	0.6
69.07070	0.8
70.06588	18.6
71.08631	2.4
71.59467	0.3
72.08153	2.8
73.02919	0.5
79.05489	0.5
81.03434	0.4
81.07061	0.4
83.08586	0.3
84.08134	3.6
85.10168	1.7
86.09703	4.4
87.04482	1.3
88.07626	8.3
89.06026	6.7
89.40961	0.3
91.05483	1.1
93.07031	1.3
95.04971	0.9
100.07625	0.3
102.09175	6.7
103.05479	0.6
105.07023	5.9
105.07674	0.5
106.07430	0.5
107.04940	0.5
107.07073	0.5
111.82753	0.2
114.09167	3.5
119.08553	0.3
121.06493	3.2
130.08667	0.2
131.07094	0.4
132.10202	3.1
133.08620	2.2
133.10133	0.3
146.11757	3.3
147.08029	0.4
147.26428	0.3
165.09125	1.1
176.11481	0.3
176.12810	1.3
177.11282	0.9
184.07364	0.2
190.14407	1.1
209.11702	0.3
224.44038	0.2
229.84039	0.3
246.84233	0.2
251.14227	0.3
280.20004	0.2
296.33109	2.0
296.61456	0.3
322.34625	3.0
324.36237	1.8
331.78763	0.2
340.35721	23.5
341.36212	0.5
366.25061	0.3
384.38339	14.6
385.38806	0.4
428.40948	8.4
472.43921	0.4
516.45697	0.3
560.48871	3.2
604.51544	2.6
648.53992	4.0
666.55084	100.0
667.55463	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	666.4338
Annotation	PAz-PC
Peak:m/z	Relative Intensity
52.13806	0.2
53.98000	0.2
55.05516	0.4
55.80465	0.2
56.05028	0.7
58.06338	0.3
58.06622	0.6
60.08163	6.3
61.89082	0.2
67.05520	0.3
70.79261	0.2
70.79594	0.5
71.07372	3.7
73.02916	0.3
79.05499	0.6
81.07047	0.4
86.09705	31.1
87.04471	0.2
89.06030	1.0
91.05489	0.2
95.04984	0.3
98.98462	3.5
103.05470	0.3
104.10748	2.0
105.07030	6.3
106.07382	0.4
125.00005	20.4
128.52315	0.2
133.08614	0.9
143.01068	0.4
146.64864	0.2
161.36330	0.2
184.07341	100.0
185.07709	0.3
225.12622	0.3
446.98529	0.2
577.33160	0.2
666.43634	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	666.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
55.05531	0.1
55.36923	0.1
56.66967	0.1
67.21275	0.1
68.99787	0.3
69.03400	0.2
70.06587	0.6
70.85635	0.1
70.85951	0.1
72.08144	0.2
81.03394	0.3
84.08133	0.2
84.71700	0.1
85.02861	0.3
86.09658	0.1
87.04489	0.1
95.04935	0.1
99.72549	0.1
107.04932	0.4
109.02858	0.2
121.02863	0.2
123.00905	0.3
123.04414	0.4
127.03896	0.3
129.10237	0.1
131.04912	0.2
137.02327	4.5
137.03363	0.3
141.01811	3.3
145.05075	0.1
149.02309	0.2
149.05962	0.2
151.03903	0.3
157.06409	0.1
161.05966	0.1
163.03865	1.3
165.01822	1.6
167.03294	0.1
171.04408	0.2
173.05884	0.1
177.01703	0.1
183.02863	2.4
185.05966	0.3
187.03815	0.4
189.05405	0.2
191.03438	0.1
191.72839	0.1
199.03915	0.1
213.05411	0.7
217.05013	0.6
227.03366	0.2
231.06483	0.3
241.04909	1.7
259.05945	0.6
269.04510	0.1
287.05420	0.8
303.57971	0.1
314.04086	0.2
315.04938	100.0
316.05228	1.0
360.10501	0.1
404.66104	0.1
477.10226	0.3
563.10272	8.0
666.25525	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.0
55.05498	4.8
57.03439	20.5
57.07079	28.3
61.02930	56.5
67.05510	11.0
69.03435	21.9
69.07060	6.3
71.01338	2.3
71.04980	3.3
71.08640	21.8
71.59335	2.8
73.02920	19.8
79.05474	2.1
81.03422	19.4
81.07055	14.1
82.75471	1.8
83.04989	3.6
83.08619	8.8
85.02909	69.0
85.10188	15.3
87.04485	3.4
89.06014	2.3
91.03959	31.2
93.06984	1.8
95.08609	19.8
97.02287	4.1
97.02892	57.5
97.10172	8.3
99.04452	8.2
99.11785	1.9
101.02381	7.4
103.03913	9.1
109.02901	12.4
109.10161	9.6
111.04500	2.1
111.11720	3.3
115.03922	4.9
117.05479	3.2
123.11697	4.9
127.03938	24.7
129.05472	5.2
137.13321	2.1
145.04962	15.8
159.06468	2.5
163.06000	3.0
171.06439	2.4
176.00339	1.9
183.06491	11.3
184.07338	3.0
201.07619	6.4
233.19969	1.9
267.26868	15.9
285.27856	3.5
298.04608	2.1
339.28903	2.7
341.30511	100.0
342.30975	3.9
369.30017	4.7
383.31512	5.2
411.62738	1.9
467.33643	3.4
485.34576	8.1
665.42200	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	665.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	2.0
53.03946	9.7
53.22609	1.7
54.68266	1.8
55.01871	12.9
55.05505	26.6
57.03428	13.0
57.07073	3.9
58.56404	1.7
59.04981	5.7
65.03931	3.2
67.05499	100.0
67.83072	1.9
69.03423	23.6
69.07059	22.5
70.01930	2.0
71.01356	2.0
71.04993	9.6
73.02901	4.2
79.05487	34.7
81.02922	2.0
81.03410	49.1
81.07055	52.0
83.04971	20.2
83.08611	13.6
85.02901	11.9
85.06540	3.5
87.04449	2.3
91.05470	43.2
93.07031	33.6
95.04952	14.8
95.08595	30.4
97.02361	1.9
97.02897	16.1
97.06525	14.6
97.10160	11.0
98.20721	4.0
99.04436	5.4
101.02354	2.3
103.05494	2.1
105.07024	40.1
107.04945	16.1
107.08587	30.5
109.02879	11.7
109.06483	7.4
109.10143	65.3
111.04406	7.7
111.08049	6.8
115.05457	1.9
117.07000	17.3
119.08575	32.2
121.06478	6.9
121.10130	17.1
123.04373	2.5
123.08063	8.0
123.11720	4.9
125.09599	11.1
127.03925	13.1
128.06314	2.5
129.05461	3.7
129.06964	6.9
130.07748	2.0
131.08557	21.8
133.06482	3.5
133.10107	22.2
135.08032	6.3
135.11658	6.8
137.09578	9.1
139.11125	2.4
140.59389	1.8
141.06874	1.9
142.07741	2.4
143.08571	8.7
145.06485	3.1
145.10109	22.4
147.08031	5.0
147.11655	14.6
149.09636	15.4
149.13205	4.3
151.11171	4.4
155.08508	5.3
155.10600	3.9
157.10103	7.4
159.08127	2.5
159.11658	14.0
161.06065	2.1
161.09615	3.7
161.13266	3.9
163.07591	2.6
163.11140	9.6
165.09171	2.2
165.12758	2.3
167.10468	2.0
169.10120	6.4
171.11726	4.9
173.04431	7.2
173.09622	5.3
173.11714	20.7
173.13281	8.7
175.11098	2.6
177.12769	3.9
179.14326	2.5
181.10133	2.9
183.08090	2.0
183.11647	4.4
185.13191	3.5
187.11206	3.5
187.14740	2.8
189.11192	6.4
189.12746	3.0
195.11720	2.5
199.06004	2.6
211.14870	2.4
221.13191	2.6
221.15298	2.8
227.12700	10.5
229.14308	27.5
229.19467	2.7
239.17982	4.9
245.13791	3.8
247.20580	5.1
257.19006	11.7
263.17712	2.6
267.16040	2.4
275.20041	54.2
287.20135	2.2
293.21155	6.0
299.14926	4.3
317.21136	2.4
331.22580	2.2
341.21051	1.9
347.13196	2.0
349.23676	18.7
355.17688	6.6
355.22064	2.3
367.15430	2.3
373.18723	15.3
383.21893	2.3
401.23145	4.3
419.24200	3.4
419.32693	2.1
503.33698	35.8
519.32758	2.1
521.34454	3.2
567.30792	2.5
611.35107	2.7
629.36176	2.4
647.37646	14.3
665.38818	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	664.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.7
56.06895	1.4
57.03430	13.9
57.07072	27.0
58.06586	2.9
59.04987	4.3
61.02922	5.9
65.03959	1.8
67.05498	71.9
69.07068	7.2
71.04989	2.5
71.08628	20.2
71.54902	3.0
73.02888	1.8
79.05508	1.6
81.07061	15.3
83.08607	8.7
85.02900	6.0
85.06529	1.8
85.10177	10.1
89.06003	1.6
91.03943	1.4
91.05475	5.1
93.07025	3.0
95.08599	13.4
97.02895	2.0
97.10160	3.2
99.11713	2.0
105.07045	1.6
107.08584	1.4
109.10147	68.6
111.08070	3.2
119.08552	4.4
123.11666	2.4
129.17357	1.5
137.09627	2.4
155.10641	4.1
173.11710	20.3
229.14339	100.0
257.24799	2.0
313.27338	87.8
432.72662	1.3
467.37311	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.1
55.01866	11.2
55.05505	32.3
57.03436	10.2
57.07071	2.6
59.04993	4.5
61.02912	2.6
65.03930	4.1
67.05498	100.0
69.03422	25.5
69.07064	23.0
70.66038	3.0
70.66415	2.5
70.78069	1.3
71.04984	8.9
73.02909	3.7
78.15821	1.8
79.05486	42.7
81.03408	50.9
81.07050	56.1
83.04971	15.5
83.08609	13.2
85.02907	11.1
85.06564	3.7
87.04462	1.9
89.05998	8.2
91.05467	39.9
93.07033	38.5
95.04962	15.3
95.08598	30.4
97.02876	17.0
97.06527	14.4
97.10168	11.2
99.04454	7.1
99.08086	2.6
101.02356	1.5
103.05453	2.6
105.07017	50.5
106.74175	1.3
107.04948	15.1
107.08583	26.5
107.09272	1.9
109.02872	15.8
109.06528	8.5
109.10146	59.8
111.04422	8.1
111.08067	6.0
115.05444	2.2
117.07019	15.8
119.04925	2.5
119.08572	30.5
121.06468	7.3
121.10131	17.4
123.04420	1.4
123.08075	7.2
123.11736	5.3
125.09615	15.1
127.03899	15.7
128.06177	2.1
129.05453	5.1
129.06993	8.6
131.04948	1.8
131.08559	17.8
133.06451	4.9
133.08612	3.3
133.10110	23.2
135.08029	8.9
135.11687	10.5
137.06015	1.5
137.09570	6.8
139.11189	3.9
139.67528	1.5
141.06982	3.6
142.07811	1.7
143.08521	9.5
145.04955	2.5
145.06456	4.4
145.10101	21.3
147.08044	4.2
147.11653	15.1
149.09607	14.9
149.13251	4.2
151.07520	4.2
151.11188	4.1
153.09126	1.8
155.08577	4.5
155.10680	4.2
156.09338	1.8
157.10088	7.6
159.08043	3.4
159.11690	12.8
161.09596	3.6
161.13225	7.2
163.11153	9.1
163.14720	1.6
165.09120	2.0
165.12733	3.0
167.10558	1.5
168.09322	1.8
169.10106	4.9
171.08023	2.0
171.10359	1.5
171.11702	5.7
173.04439	6.7
173.09665	4.8
173.11726	17.6
173.13254	5.5
175.11203	3.2
177.11253	1.7
177.12717	3.3
179.14267	2.1
181.10065	2.0
181.12282	1.4
183.11717	3.6
185.09671	1.8
185.13263	2.4
186.34959	1.5
187.11134	3.6
187.14780	4.1
189.09549	1.4
189.11205	7.5
189.12682	3.1
195.11693	2.4
197.09633	2.1
197.13280	3.9
199.11192	1.8
199.14771	1.9
201.12778	2.0
203.10606	1.6
203.14307	1.7
207.13780	2.1
211.13107	2.2
213.12737	2.0
215.14301	3.2
219.17432	2.0
221.15274	3.4
227.12679	11.2
229.14314	26.7
229.19464	3.3
239.17943	4.2
241.10780	1.7
245.13770	2.0
247.20622	3.7
257.19003	13.3
259.20535	3.0
267.15665	1.7
275.20016	61.6
293.21146	5.1
299.14877	6.1
299.20071	2.3
305.21222	1.6
313.21783	1.6
331.22888	2.0
333.24237	2.2
349.23718	24.1
355.17310	2.8
373.18634	12.8
383.22089	1.9
401.23404	3.3
411.28973	1.7
419.24124	3.9
423.27530	2.3
457.26266	1.9
485.32385	5.1
486.40442	1.4
493.28250	2.4
501.32230	1.9
503.33585	35.2
521.34821	3.8
545.34393	2.2
567.31555	2.7
611.35779	1.8
629.36530	4.1
647.37811	18.1
652.49683	1.6
665.38959	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	663.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	49.0
60.94062	1.3
64.61581	1.3
70.62180	3.5
91.05471	6.2
102.22039	1.4
105.33058	1.6
147.11696	4.1
153.07037	1.9
153.96233	1.4
203.60497	1.9
219.29805	1.4
233.03667	5.9
251.04692	15.5
307.10980	1.7
327.07813	86.2
328.08130	2.4
383.14075	56.2
384.14322	1.8
439.20386	47.5
449.70905	1.5
495.19189	2.7
495.26614	83.0
551.32861	100.0
552.32867	1.9
607.39087	58.6
663.45294	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88977	0.2
55.01863	0.3
56.05019	0.7
56.96548	0.4
57.03429	0.3
58.06607	0.4
60.04503	0.4
60.07881	0.4
60.08162	5.9
63.22066	0.2
67.05498	0.3
69.27149	1.2
69.27573	1.4
70.06587	3.5
71.07372	3.2
72.08125	0.4
79.05489	0.3
81.07021	0.3
84.04500	0.6
84.08128	0.9
85.19460	0.2
86.09705	30.3
86.39967	0.2
91.05470	0.7
93.06968	0.3
98.20802	0.6
98.98464	2.9
104.10737	3.5
105.07057	0.3
107.04945	1.0
110.07168	0.4
120.08109	0.4
125.00003	19.7
129.10217	0.3
149.70161	0.3
172.95215	0.5
184.07338	100.0
185.07639	0.6
190.96173	0.4
215.04146	0.3
241.18629	0.3
258.11032	0.2
323.86035	0.3
331.15778	0.5
349.16882	0.7
376.19843	0.3
432.88971	0.3
467.15085	0.3
485.15881	0.8
503.17090	0.3
512.27582	0.7
530.28748	5.9
664.37726	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	1.6
57.03435	1.1
58.06609	1.6
60.08163	17.6
62.92777	0.4
67.05497	0.8
70.06593	4.1
70.26005	0.4
70.37195	0.4
71.06961	0.7
71.07374	6.6
71.59257	0.5
72.08150	1.7
79.05505	0.7
81.07076	1.1
84.08144	1.0
86.09708	53.8
87.10028	0.5
91.05482	1.6
93.07055	0.7
98.98464	3.8
103.30003	0.5
104.10746	100.0
105.07047	1.1
107.04960	2.3
109.06490	0.5
110.07125	0.4
117.07005	1.1
120.08076	1.5
125.00008	27.8
129.17455	0.4
131.08470	0.6
143.01082	0.7
143.08554	0.8
145.06441	0.7
169.10147	0.5
173.25688	0.5
184.07349	98.4
185.07689	0.7
258.11050	1.1
323.88071	0.5
349.16891	0.6
431.16235	0.5
485.15524	0.8
512.27679	5.7
530.28790	46.0
531.28918	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
55.01865	0.5
55.05487	0.7
56.96563	6.9
57.03418	0.7
58.53730	0.2
59.04981	0.3
60.41657	0.2
65.03922	0.3
67.05497	4.0
69.03421	0.8
69.07041	0.5
70.06570	0.3
71.04970	0.3
71.21061	0.5
71.95245	0.9
72.96017	0.3
74.56429	0.2
74.97611	0.2
79.05479	1.4
81.03397	1.4
81.07052	1.3
83.04967	0.5
83.08608	0.4
84.96010	0.3
85.02871	0.3
85.06538	0.5
91.05459	2.0
92.20963	0.2
93.07021	1.6
95.04957	1.9
95.08595	1.2
97.02858	0.4
97.06498	0.5
97.10140	0.5
97.96813	0.3
98.97561	0.7
103.00737	0.4
105.07017	1.2
107.04922	0.6
107.08598	1.2
109.02785	0.2
109.06503	2.0
109.10136	1.7
110.97572	0.3
111.08046	0.3
113.05988	0.8
115.97832	0.2
116.98600	0.6
117.07007	0.5
119.08596	1.1
121.01728	0.3
121.06489	0.5
121.10123	0.7
123.08017	0.5
125.09608	0.4
127.03884	0.3
128.98624	1.0
129.06989	0.6
131.08545	0.7
133.01727	0.6
133.06465	0.2
133.10139	0.5
134.84187	0.2
134.99673	0.3
135.08041	1.2
141.02208	0.2
143.08524	0.6
145.10063	0.5
146.99643	1.5
149.05714	0.3
149.09660	0.3
149.13277	0.2
151.41513	0.2
155.03770	0.4
157.01711	0.3
157.10156	0.4
159.03313	0.3
159.11664	0.5
161.01198	0.6
161.02414	0.2
161.09602	0.3
166.90669	0.2
167.03722	0.2
171.03250	0.8
171.11626	0.4
173.11699	0.6
173.13054	0.2
175.02843	0.4
175.09103	0.2
177.04286	0.2
177.12724	0.3
181.05367	0.6
183.03326	0.4
183.11807	0.2
185.04863	0.5
189.04379	1.4
193.03954	0.3
197.04889	0.7
198.05608	0.5
199.02942	0.4
199.06386	4.2
199.14954	0.2
201.04335	0.5
203.05849	1.1
213.04276	0.3
213.07985	1.0
215.05922	0.5
215.09595	0.3
216.06760	0.5
217.04150	0.4
217.07454	8.2
217.15958	0.5
221.06883	0.4
223.06403	2.0
223.10011	0.5
225.04390	0.5
227.12932	0.3
229.07507	1.1
229.14366	0.4
231.08980	1.3
235.08414	0.3
239.05925	0.4
239.09526	0.6
240.08939	0.3
241.07457	11.7
241.11098	5.5
243.05365	0.3
243.09003	0.8
245.10764	0.3
247.08549	0.7
257.10486	0.4
259.08517	25.1
259.12128	7.8
260.08923	0.3
264.09061	0.8
264.12546	0.5
267.09015	0.5
269.10638	0.4
273.18396	1.3
277.09564	5.2
281.10596	1.9
282.09982	1.8
287.11667	0.3
291.19547	3.9
291.65552	0.2
299.11694	3.0
315.16324	0.7
317.12711	0.3
321.17429	0.3
333.13416	0.5
333.17331	7.4
347.22171	0.3
349.16833	0.4
351.18381	100.0
352.18692	1.8
353.18948	0.4
355.17197	0.3
369.19431	15.5
374.19885	0.5
392.21039	4.8
519.32941	0.4
663.41583	7.0
669.07562	0.2
692.32892	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12082	1.7
53.69429	1.5
55.06545	1.6
57.07077	51.5
71.49700	2.9
80.95371	1.4
82.82565	1.4
91.05465	5.4
93.13628	1.5
119.08577	2.0
129.63640	1.6
147.11650	5.3
153.06963	3.9
188.18114	1.8
209.62354	1.6
233.03668	5.1
251.04655	15.0
295.81262	1.6
327.07791	100.0
328.08047	2.5
383.14056	76.6
439.20319	65.7
440.20663	1.7
474.13104	1.8
495.19302	3.2
495.26608	76.0
551.32837	89.5
552.33496	1.7
600.27350	1.8
607.39069	47.6
607.48834	2.3
638.61578	1.7
663.45441	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	663.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	0.6
55.05435	1.9
56.96484	28.9
56.96798	4.3
57.07004	1.2
61.02854	0.7
62.37787	0.6
66.31362	0.7
67.05413	3.6
69.06977	4.5
70.04002	1.0
70.48944	2.6
71.95160	2.6
72.95940	1.4
74.97544	1.4
79.05392	2.0
81.03323	1.7
81.06963	2.7
81.07383	0.6
82.87566	0.6
83.04897	0.8
83.08565	0.9
84.95959	0.9
85.02823	0.8
88.00476	0.7
91.05396	2.2
93.06953	2.1
95.04877	1.7
95.08506	1.2
97.02822	0.9
97.10086	0.7
97.96761	0.7
105.00063	0.6
105.06927	2.3
107.04840	0.6
107.08517	1.3
109.06429	0.7
109.10043	2.3
110.03429	0.6
110.97533	0.7
115.07490	1.3
119.08495	1.4
121.06396	0.6
121.10078	0.9
123.01098	1.1
128.98457	2.1
131.08557	1.3
133.10048	1.5
135.07942	0.7
135.11589	0.8
141.00937	1.0
141.02098	1.4
145.10042	1.5
146.99529	1.7
147.03215	1.3
149.09422	0.6
153.02116	0.8
155.03683	2.0
157.01651	1.4
159.03261	0.9
167.03712	1.0
169.01669	1.2
171.03297	3.7
173.04726	1.3
177.04167	1.4
183.03226	1.3
185.04904	4.0
187.02760	1.0
187.06364	1.0
189.04326	4.6
195.06845	1.5
197.04883	0.8
197.07175	2.2
199.06390	7.3
201.04196	1.0
203.05882	7.0
211.06255	2.7
213.07942	5.6
215.05885	0.9
217.05310	1.0
217.07469	12.7
221.08493	1.0
223.09984	1.1
225.07996	4.8
227.09457	2.5
229.07495	3.1
231.06932	0.9
231.09007	10.2
237.07928	4.4
239.09601	3.8
240.09128	0.8
241.11096	1.9
243.09058	4.7
245.10541	3.0
249.07947	3.4
251.09523	5.2
253.11142	0.6
254.10561	0.8
255.09042	22.1
257.10526	2.5
259.12106	1.8
267.08997	25.7
269.10577	43.6
273.10080	16.7
273.18478	1.2
278.10608	2.6
285.10062	37.8
287.11636	19.2
290.10553	1.3
291.19455	1.5
292.12247	3.9
295.15775	0.7
296.11237	0.8
299.11572	0.7
303.11038	3.6
308.11636	3.9
310.13370	0.8
315.16324	0.8
333.17249	11.3
351.18359	41.3
352.10535	2.3
369.19446	100.0
370.20093	0.9
374.20078	3.1
387.20459	10.3
392.21021	15.6
463.23602	1.1
563.32520	3.0
645.39954	2.2
663.41504	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	663.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.4
55.01872	10.1
55.05507	33.9
56.96562	2.1
57.03431	8.0
57.07076	3.0
59.04994	4.7
65.03928	3.0
67.05501	100.0
69.03423	31.2
69.07061	25.4
69.36363	19.3
71.01379	2.6
71.04991	9.2
79.05486	35.7
79.05900	3.0
81.03413	60.5
81.07051	50.8
81.07512	3.6
83.04973	16.4
83.08610	15.9
85.02897	16.2
85.06538	4.9
87.04453	4.1
89.06022	4.5
91.05480	32.7
93.07035	33.4
95.04962	15.7
95.08604	20.3
97.02903	17.5
97.06560	6.9
97.10155	22.7
99.04455	8.3
103.05450	4.0
105.03434	2.7
105.07024	36.6
107.04927	13.1
107.08595	29.0
109.02870	24.7
109.06539	5.9
109.10149	60.2
111.04450	13.9
111.08081	4.1
117.07011	12.4
119.08565	24.5
119.09196	2.0
121.06528	8.7
121.10146	10.3
123.04486	2.2
123.08079	6.5
123.11733	2.6
125.09618	22.9
127.03887	13.8
127.27510	2.1
128.06192	3.3
129.07021	6.6
130.07762	2.0
131.08519	13.4
133.06493	5.4
133.10146	10.8
135.08002	10.7
135.11720	4.6
137.09647	6.0
141.06995	3.0
143.08578	6.6
145.06493	3.3
145.10129	12.0
147.08043	7.3
147.11690	4.4
149.09668	7.2
151.07590	3.6
153.09088	4.3
155.10645	4.2
157.10187	5.5
159.08092	4.5
159.11707	5.0
160.11198	3.9
160.54121	1.9
161.09616	4.9
161.11746	2.6
161.13226	2.3
163.11156	5.8
167.08575	2.5
169.10181	3.0
171.10239	3.0
171.11754	7.1
173.04549	4.9
173.09592	3.4
173.11754	19.7
173.13185	3.8
175.11200	4.6
181.10133	2.6
183.11589	3.0
185.09610	2.4
189.11192	17.0
189.12723	3.1
195.11861	2.1
199.11258	2.8
208.12242	2.0
223.11440	2.2
223.13217	11.6
227.10841	2.3
227.12802	8.7
229.14439	8.6
245.19154	2.1
258.08853	3.2
259.09253	2.7
263.20120	3.1
273.18503	19.3
275.20135	2.7
277.66495	2.0
287.14514	1.9
291.19525	78.3
299.14975	8.8
327.14505	2.6
347.22449	5.4
351.18896	2.8
355.17621	6.7
365.23373	4.2
369.19751	4.0
373.18854	2.5
379.24661	1.9
417.22748	2.5
435.24130	4.1
491.26746	3.5
501.32233	3.6
519.33551	6.5
627.35052	2.4
645.36359	8.8
663.37433	85.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82804	1.3
53.03938	5.6
55.01866	3.8
55.05516	18.0
57.03437	22.9
57.07080	9.8
59.05011	1.7
61.02927	73.3
66.74448	1.2
67.05508	20.6
69.03085	2.0
69.03433	29.8
69.06718	2.4
69.07065	28.1
71.01328	4.1
71.04994	5.4
71.08622	4.7
71.58513	2.4
73.02920	23.1
75.04472	1.5
79.05505	9.9
81.03423	23.2
81.07056	27.8
83.04974	4.3
83.08624	20.3
85.02905	86.4
85.06564	1.4
85.10134	2.0
87.04472	4.8
91.03951	49.7
91.05483	3.0
92.46066	1.3
93.07034	15.0
95.04951	2.4
95.08613	23.6
97.02892	73.3
97.06543	2.6
97.10176	14.4
99.04451	14.1
101.02389	8.6
103.03925	8.8
105.07036	1.9
107.08565	7.4
109.02882	12.3
109.06520	1.4
109.10155	11.7
111.04458	3.6
111.08074	1.9
111.11709	3.4
115.03920	4.8
117.05492	2.4
119.08588	1.8
121.10140	12.1
123.11673	3.6
127.03918	36.3
129.05507	6.4
135.11694	12.8
137.06000	1.7
137.13266	1.6
142.21664	1.4
145.04956	20.4
149.13249	4.7
151.14812	2.8
155.01018	1.7
159.06538	4.9
163.06039	4.2
163.14885	2.7
164.69009	1.2
168.94070	1.7
171.06560	3.0
177.16476	1.4
183.06564	11.1
191.17847	1.4
201.07553	10.6
206.32677	1.3
216.79785	1.2
219.08665	2.0
225.96985	1.2
241.07040	1.5
247.24217	9.4
263.23788	2.3
265.25259	23.6
336.25208	1.4
337.27274	4.6
339.28946	100.0
340.29333	1.6
367.28500	3.9
373.27228	3.3
381.29913	2.5
393.30002	1.9
403.85220	1.4
444.47815	1.4
447.30771	5.0
465.32010	4.2
474.57397	1.6
483.33270	10.7
512.74988	1.5
663.38922	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.6
55.41587	0.4
57.03432	0.3
59.29121	0.3
67.05483	1.3
69.03426	0.6
69.07053	0.7
69.82207	0.5
69.82617	1.6
70.01337	0.3
70.06590	0.4
71.04962	0.4
73.02921	0.4
79.05483	1.0
81.03410	0.7
81.07039	0.9
85.02919	0.7
88.45277	0.3
89.06042	0.3
91.05473	1.0
93.07041	1.2
95.04957	0.8
95.08617	0.7
97.02868	0.8
97.06486	0.4
105.07007	1.3
106.07483	0.4
107.04948	0.9
107.08589	1.0
109.10162	0.7
117.07040	0.5
119.08583	0.9
121.06551	0.4
121.10159	0.5
123.08104	0.4
127.03880	0.4
131.08553	0.7
133.10115	0.5
135.08078	0.4
145.10205	0.4
157.10123	0.4
159.07944	0.3
159.11656	0.4
185.04349	0.4
193.46484	0.3
239.09903	0.4
243.08441	1.0
259.63037	0.3
273.18640	0.4
381.19592	0.7
413.17923	0.7
427.24640	0.6
445.25613	2.0
481.26218	0.4
483.27170	0.4
501.28040	2.3
540.73950	0.3
606.36267	0.3
635.34338	0.5
663.33417	100.0
664.33606	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	663.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.8
56.96563	0.7
57.36877	0.8
65.03933	1.1
67.05490	2.5
69.03420	1.3
70.06587	2.4
70.78504	0.9
71.60054	1.1
73.02903	1.2
73.62006	0.7
79.05494	2.6
80.04990	1.3
81.03413	1.6
81.07046	2.5
87.04411	0.8
89.79882	0.7
91.05481	3.0
93.07018	2.6
94.06555	3.5
95.08620	1.2
105.07005	1.6
106.06567	5.7
107.04945	3.2
107.07323	7.7
107.08566	0.9
108.04510	1.0
108.08112	27.6
109.10150	1.5
110.06033	1.5
110.09678	1.0
116.04963	1.4
118.06547	1.1
119.08596	0.8
120.04482	3.3
120.08089	6.7
121.08882	1.5
121.10100	0.9
122.06001	2.9
122.08851	1.5
122.09659	21.7
123.09970	1.0
124.07609	1.0
131.08505	1.0
132.08092	0.9
134.05986	2.2
134.09628	1.3
135.06812	1.9
136.07567	5.5
138.05458	0.9
140.07074	2.0
144.04436	3.4
146.06000	22.8
146.09630	1.6
148.07547	8.8
150.09125	98.7
152.07048	8.2
154.05020	0.9
158.05986	0.9
160.03954	1.5
160.07538	2.4
162.05486	2.4
162.09190	0.9
164.07047	5.5
165.07895	0.9
166.08629	53.0
172.03918	13.8
173.04239	1.1
174.05537	1.3
176.06972	1.6
184.07339	1.6
188.07156	1.2
190.04948	11.0
192.06581	1.2
197.10695	2.7
198.11494	2.8
199.12256	0.9
201.10136	0.8
204.06552	21.2
204.08443	1.3
209.10741	2.5
210.11485	3.7
211.12253	5.8
212.13051	2.4
213.13817	1.0
218.08167	2.6
221.10730	1.0
223.08812	0.9
223.12265	5.8
224.09457	1.0
224.12854	1.5
225.10275	4.4
225.13824	1.6
226.10979	2.3
227.11746	3.3
229.13382	1.4
235.08673	2.1
235.12254	3.0
236.09207	4.0
237.10170	9.0
237.13855	2.8
238.11012	6.6
239.11765	10.1
240.12505	1.3
241.13258	1.6
243.11325	1.5
246.07545	1.9
247.12134	0.8
248.09358	4.1
249.10199	11.8
250.10953	9.5
251.08000	1.1
251.11760	15.7
252.08855	1.6
252.12473	4.6
253.09656	2.2
253.13313	6.8
255.11223	2.7
255.14856	5.1
256.12039	1.8
257.12964	4.3
261.16858	0.8
262.10992	1.9
263.11786	35.5
264.08960	3.1
264.12570	8.1
265.09705	5.9
265.13327	15.7
266.10410	3.6
267.11328	8.0
267.14261	1.4
269.12823	4.5
271.14352	2.1
275.11737	2.6
276.08929	1.7
277.09683	3.2
277.13086	1.0
278.10501	5.5
279.11249	31.9
280.11914	4.2
281.12817	26.1
282.09979	2.6
282.13382	1.7
283.10733	4.8
283.14386	7.7
284.11490	3.8
285.12344	13.3
287.13940	6.5
291.11279	27.2
292.12039	7.6
293.09561	1.6
293.12778	24.8
295.10706	5.0
295.14011	1.4
296.11499	3.0
297.12317	30.5
297.15720	1.5
298.13019	3.7
299.13889	36.7
303.13425	1.5
304.08340	1.4
305.14984	5.2
307.10736	5.3
309.08704	2.0
309.12286	38.1
310.12875	3.2
311.10458	1.6
311.13818	13.8
312.14316	1.0
313.11777	1.0
316.14468	1.0
317.06555	4.8
319.10721	22.8
321.12375	6.7
323.10309	5.6
323.16574	3.9
324.11197	1.7
325.11795	22.8
325.14920	0.7
327.13531	5.0
337.11780	100.0
338.12234	2.8
339.13406	7.7
341.15082	1.7
343.12891	2.5
351.13403	1.0
355.12811	1.1
357.14468	10.0
358.15179	1.4
360.20691	1.2
369.14465	4.9
370.15405	1.0
371.15927	2.4
372.16846	1.7
385.14371	1.0
386.18924	1.8
388.20184	2.1
390.17972	1.1
398.14893	2.3
399.15912	2.7
401.13266	6.8
406.21219	2.0
414.17752	2.4
416.15955	2.7
430.21207	2.8
432.19049	3.7
433.19910	2.3
434.21518	4.4
440.16025	1.3
446.21027	7.2
448.22266	60.3
449.22501	2.9
456.18878	1.6
458.16617	4.9
460.18372	1.6
462.19763	1.1
464.18042	3.0
474.20218	88.3
475.20743	5.6
476.18134	4.4
476.28885	0.9
482.19266	4.2
490.19681	1.8
492.21350	9.5
494.19388	2.2
506.22839	39.1
507.23218	3.5
514.21539	2.4
526.21979	1.2
571.25629	4.8
595.25537	12.5
603.27832	1.6
613.26440	12.6
631.27594	27.9
632.27185	1.1
645.27869	1.0
663.29370	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	663.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.9
53.03936	1.2
55.05497	1.2
61.02905	1.0
67.05496	1.5
69.03419	0.8
69.07065	1.0
69.36384	4.1
69.36811	3.6
70.06590	3.7
79.05482	2.6
80.04980	0.9
81.03404	1.5
81.07046	2.1
82.06537	0.9
84.04491	1.2
84.08124	1.0
85.02877	1.1
86.09679	2.0
91.05463	2.0
92.04984	1.0
93.05768	1.0
93.07019	1.7
93.34776	0.7
94.06541	2.4
95.04955	1.4
95.08598	0.9
98.20687	1.4
105.03324	1.5
105.07017	2.0
106.06524	7.7
107.04943	2.5
107.07327	8.7
107.08492	0.9
108.08105	29.2
110.06023	1.6
116.04951	1.5
118.06487	1.0
120.04436	4.2
120.08096	7.4
121.08867	2.9
122.06000	2.8
122.09657	20.2
127.03822	1.0
130.80534	0.7
132.08083	0.9
134.06049	1.2
134.09622	1.7
135.04396	1.0
135.06822	1.2
136.07544	6.6
137.05945	1.3
138.05486	1.4
140.07091	1.0
144.04465	2.2
145.06525	0.9
146.05992	22.0
146.09630	1.8
147.11627	0.8
148.07567	8.2
149.08246	0.9
150.09123	100.0
151.03900	3.1
152.07042	9.9
158.05954	1.3
160.03940	1.3
160.07576	2.2
162.05492	1.7
162.09143	1.1
164.07025	5.9
166.08620	50.1
172.03914	14.6
174.05473	2.3
176.07019	1.3
188.07034	0.9
190.04964	10.0
192.06496	1.0
192.10152	0.8
195.09033	1.0
197.10747	2.0
198.11516	3.3
199.08440	1.1
199.12398	0.9
201.10303	1.1
204.06538	20.9
208.09915	1.2
209.10660	2.2
210.11497	3.1
211.09074	0.9
211.12277	6.1
211.93756	0.8
212.13019	2.1
213.10057	0.9
213.13942	1.5
218.08173	3.7
220.09796	1.0
222.11514	1.5
223.08595	1.0
223.12279	5.8
224.09282	0.9
224.13129	1.2
225.10211	4.3
225.13887	2.0
226.10982	2.5
227.11743	3.1
235.08636	3.3
235.12282	2.4
236.09273	3.9
236.13074	1.3
237.10184	8.7
237.13800	3.7
238.10896	7.2
239.11757	10.9
240.12613	1.4
241.09602	0.8
241.13362	1.6
243.11285	1.2
246.07637	1.2
248.09480	2.6
249.10208	13.2
250.10928	11.1
251.11790	17.6
252.08920	1.7
252.12445	4.4
253.09732	1.9
253.13422	6.6
255.11308	2.1
255.14900	4.4
256.12024	2.5
257.12857	3.4
259.14377	1.0
262.11084	1.2
263.11765	35.6
264.08902	3.6
264.12494	7.9
265.09735	7.1
265.13315	18.1
266.10416	4.8
266.13940	0.7
267.11203	10.1
267.14780	1.2
269.12933	3.8
271.10800	1.5
271.14447	1.6
273.12357	1.6
275.11697	1.1
276.08527	1.2
277.09601	3.2
278.10443	4.9
279.11249	33.2
280.11850	2.6
281.12836	22.8
282.10034	1.6
282.13339	1.3
283.10748	3.3
283.14337	7.7
284.11530	4.4
285.09479	1.2
285.12329	12.5
287.13876	6.4
291.11285	27.0
292.11981	6.9
293.09595	1.2
293.12778	26.6
294.13159	1.0
295.10773	5.6
295.14218	1.7
296.11444	2.8
297.12305	28.6
297.15692	1.5
298.13028	2.8
299.13846	35.6
303.13394	1.0
304.08380	1.5
305.14981	4.0
307.10846	5.7
307.14392	1.1
309.12286	41.0
310.13043	1.7
311.10297	1.8
311.13809	13.3
313.11777	1.3
313.15424	1.3
319.10727	19.7
321.12213	4.5
323.10416	5.8
323.15985	3.4
325.11801	22.0
326.16422	1.0
327.13318	7.1
330.16168	1.3
337.11777	92.3
338.12146	2.3
339.13382	5.8
341.15186	1.8
343.12775	2.4
346.19092	1.4
356.13620	1.0
357.14395	8.2
360.20752	1.8
369.14334	5.8
370.15091	1.1
371.15967	3.3
372.16791	1.1
386.18491	2.0
388.19958	2.4
390.17923	0.9
398.14713	1.6
399.15710	1.5
401.13290	6.0
406.21152	2.4
411.18488	0.8
414.17996	3.3
416.15897	2.7
422.17123	1.4
430.21051	3.7
432.19159	3.8
433.20016	2.4
434.20795	2.7
438.20486	1.0
440.16162	1.1
446.21130	6.9
448.22244	46.7
450.19904	1.4
456.18896	1.3
458.17154	3.3
460.18625	2.3
462.20181	1.0
464.18036	2.9
474.20206	74.4
475.20502	2.2
476.17932	2.9
482.19116	2.9
492.21222	8.6
494.18771	2.2
506.22876	30.2
507.22919	2.4
510.22357	1.0
514.21771	1.5
571.25305	3.2
587.28430	1.6
595.25464	8.6
613.26501	11.8
631.27631	21.6
645.28955	1.2
663.29834	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	0.5
56.96563	23.7
57.97358	0.6
60.04520	0.7
60.81641	0.6
63.07976	0.6
68.96552	0.7
70.06590	8.3
71.19064	1.3
71.95245	2.5
72.08141	1.8
79.05482	2.0
84.04501	1.3
84.08132	3.4
84.96017	2.3
86.06052	0.7
86.09676	3.2
87.05576	0.6
91.05455	0.6
95.04942	0.6
97.96811	2.9
98.06052	0.6
98.97579	86.9
102.05505	0.9
103.05465	1.1
105.07030	19.2
107.04939	2.5
110.07150	1.5
110.97540	1.8
115.97818	3.3
116.98616	100.0
120.08105	1.3
128.98569	3.9
129.10225	1.9
133.06488	83.5
133.98860	2.9
134.06802	1.2
134.99654	79.6
136.07516	1.0
140.00157	4.2
143.00153	0.8
145.01727	1.0
146.99646	6.8
149.01128	0.6
149.05960	0.6
152.98668	1.0
153.00705	10.6
157.98836	0.8
158.01265	5.1
158.99654	4.7
161.01221	2.1
162.99120	0.6
165.00679	1.4
167.33943	0.6
170.99666	3.2
174.99135	0.6
175.99988	1.1
177.00714	9.5
179.99625	0.6
189.00685	3.0
191.02158	0.7
195.01736	1.6
207.03270	1.4
213.39999	0.5
219.01611	1.2
225.04306	1.7
231.03268	32.3
237.02565	3.2
248.05717	0.6
249.04343	91.3
250.04688	1.4
261.04321	1.3
267.05365	12.6
272.05945	8.4
285.04166	1.3
290.07095	0.9
291.05380	22.1
303.05310	1.4
309.06403	1.4
333.06366	0.6
351.07434	12.1
363.09070	3.9
369.08566	70.8
370.08777	1.2
381.10031	0.8
386.05420	0.6
387.09647	2.2
392.10135	6.7
393.10059	0.7
411.09613	28.2
423.11063	0.7
483.13223	39.6
484.13565	1.7
501.14261	4.2
543.14752	1.5
633.22656	0.6
663.22394	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	661.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33488	1.0
55.05502	1.3
57.07059	1.9
60.01166	1.1
67.05505	1.2
71.08637	2.2
71.50350	1.0
80.00952	1.0
80.44984	1.1
95.08607	1.6
98.21497	3.6
133.83464	1.2
140.88168	1.1
157.71852	1.0
196.54152	1.2
221.47755	1.1
229.24394	1.5
349.19888	10.0
405.22546	5.0
573.41626	1.4
618.69232	1.3
661.46448	100.0
662.46655	3.4
663.18829	1.2
686.98450	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.1
55.05305	2.9
55.05512	33.3
57.03429	12.9
57.07086	7.1
65.03930	4.4
67.05172	5.6
67.05499	76.6
68.80714	3.2
69.07068	35.7
71.05006	5.4
71.55029	5.3
74.92455	3.0
79.05489	65.6
81.06570	5.8
81.07050	100.0
83.04972	8.6
83.08597	13.1
85.06541	3.8
87.04456	15.3
90.43562	2.9
91.05476	52.4
92.92842	2.9
93.07038	81.8
95.04942	16.5
95.08052	4.8
95.08604	57.0
97.06512	8.9
97.10179	5.7
99.57199	3.5
99.85757	3.1
105.07022	45.1
107.04955	5.3
107.08585	33.5
109.06496	4.1
109.10164	27.0
111.08050	5.2
117.07008	17.5
119.08577	28.8
121.10136	25.0
123.08081	7.0
123.11680	9.9
131.08549	22.4
133.10146	21.4
135.08031	5.2
135.11711	23.9
143.08501	4.8
145.10124	18.3
147.11649	10.6
149.09601	5.5
149.13246	8.4
150.12431	3.5
156.68829	3.5
157.10141	4.0
159.11671	13.3
161.13226	4.9
163.11136	3.7
169.09996	3.8
173.13176	6.6
197.16650	3.3
229.14400	4.6
255.15924	4.5
257.18991	6.1
259.20660	5.2
261.22043	6.5
269.17545	11.7
269.35632	3.8
275.19949	20.2
277.21652	5.0
317.24887	3.7
335.25781	68.3
345.29184	3.5
349.23511	10.5
351.25305	3.5
515.37085	14.9
529.38849	67.4
569.41620	4.3
609.44946	7.8
627.46021	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	661.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
54.96196	0.6
55.05497	1.2
57.07072	19.9
59.04995	0.9
66.28471	0.6
67.05483	1.2
69.07057	2.6
69.29509	5.8
70.31374	0.5
71.08628	37.8
73.02898	0.9
73.06547	2.6
78.54096	0.5
79.05472	2.3
81.07065	1.1
85.10178	19.9
87.03917	0.9
87.04458	22.2
89.06026	100.0
90.06364	0.7
91.05474	10.8
91.06000	0.9
93.07037	6.7
95.04964	2.4
95.08651	0.9
101.69762	0.7
103.05456	2.3
105.04510	0.5
105.07025	9.6
107.04964	3.2
107.07043	4.0
107.08572	2.8
117.07015	2.2
117.09130	1.0
118.07806	1.2
119.04961	3.1
119.08546	5.0
121.06493	22.3
121.10143	1.1
123.08080	0.7
127.14819	1.2
130.08652	2.5
131.07040	6.0
131.08569	1.3
133.08594	54.4
135.08057	7.3
135.11635	1.4
143.08606	0.6
145.10126	1.3
147.08025	8.8
149.09612	8.7
150.06740	3.4
163.11180	4.8
164.08334	1.2
165.09103	6.9
167.10751	1.7
175.09689	3.6
175.11066	1.0
177.11206	13.9
177.12437	0.7
191.10701	2.6
193.12294	2.0
207.13757	0.7
209.11722	4.6
211.13321	2.0
213.47594	0.6
221.13803	1.3
233.85928	0.6
235.13252	1.4
239.14702	0.7
245.19110	0.6
247.20572	15.5
255.15961	1.3
273.22134	2.8
277.75134	0.5
289.25323	1.3
291.23163	27.8
292.23703	0.9
317.24979	0.9
327.20032	0.6
335.25916	2.5
369.36298	0.8
432.19818	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82294	0.5
56.96566	2.1
69.95189	3.0
70.06594	1.2
76.52478	0.5
79.05486	1.0
86.09705	1.0
144.12335	0.5
148.07599	0.7
166.08592	1.2
166.98055	0.5
188.03520	0.7
203.05371	1.2
242.72823	0.5
271.14560	0.6
278.11624	0.6
331.12399	0.6
331.16028	1.3
332.16037	2.5
333.16196	1.4
333.19745	0.6
349.16876	3.3
350.17218	3.5
351.17435	2.3
351.20923	0.9
372.18649	0.6
444.12045	0.5
463.32074	0.8
481.32907	48.0
482.33249	2.0
499.34460	0.6
507.33142	0.6
661.39136	100.0
662.39600	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	661.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72280	1.3
55.01883	1.1
55.05495	2.7
57.07069	19.9
59.05001	1.7
60.36947	1.2
67.05508	6.5
69.03456	1.2
69.07057	6.8
71.08627	31.9
71.59750	1.3
71.60129	1.5
72.34140	1.1
73.02924	1.4
73.06560	3.1
79.05489	3.6
80.66177	1.2
81.07047	3.8
83.04971	1.5
83.08602	1.7
85.10175	17.8
87.03976	2.4
87.04463	27.2
88.48917	1.2
89.06026	100.0
91.05485	18.6
93.07019	9.2
95.04958	5.2
95.08611	5.6
97.06514	1.6
103.05470	4.0
105.07021	18.9
107.04959	3.7
107.07053	5.9
107.08594	5.6
109.06481	1.5
117.07066	2.5
119.04939	3.3
119.08560	8.8
121.06496	30.2
121.10146	1.8
123.08105	1.7
130.08617	5.9
131.07019	4.8
131.08566	3.1
133.06465	1.9
133.08595	56.2
133.10176	2.7
135.08054	13.9
135.11702	1.6
145.06514	1.3
147.08034	10.7
147.11740	1.8
149.09589	15.9
159.11702	1.8
163.11218	3.7
165.09135	6.0
167.10725	1.2
175.09760	1.3
175.11224	1.8
177.11215	13.3
191.10606	2.0
193.12247	3.0
209.11725	3.1
211.13417	2.4
235.13293	1.8
247.20563	13.3
273.22101	2.4
291.19901	2.1
291.23120	23.7
317.24835	2.0
335.26013	1.6
410.01550	1.3
424.56412	1.2
446.97574	1.3
661.48364	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	661.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69286	0.6
53.03925	0.8
55.01854	0.7
55.05516	0.9
56.96550	0.7
61.02922	1.1
65.03945	1.0
67.05480	2.1
69.03420	0.9
69.07050	1.1
70.06587	5.0
71.04949	0.7
71.60110	1.2
72.08137	1.6
73.02889	0.8
79.05489	3.2
80.05000	0.9
81.03398	1.7
81.05756	0.7
81.07037	2.3
82.06554	1.3
83.08604	0.8
84.04482	1.4
84.08144	1.1
85.02894	1.7
86.06081	0.9
86.09690	2.5
89.03905	1.0
91.05482	3.2
93.07037	5.1
94.06562	7.0
95.04942	1.8
95.07342	5.0
95.08611	1.4
96.07549	1.2
96.08126	14.6
97.02876	0.7
97.06524	1.2
103.05445	1.3
106.06549	1.4
107.04962	6.5
108.04479	1.2
108.08106	11.4
109.10110	0.8
109.69764	0.7
110.09674	21.8
116.04971	4.0
117.07024	0.8
118.06540	1.5
119.90762	0.6
120.04478	5.6
120.08102	16.4
120.15552	0.6
121.06501	1.4
122.06036	7.4
122.09606	0.8
123.06758	0.8
124.07578	9.2
127.03854	1.1
129.07100	0.6
132.04375	1.1
133.06432	0.7
134.06007	2.9
136.07570	17.0
137.05951	1.2
138.05516	5.3
138.09129	33.5
144.04439	10.3
145.04868	0.8
146.05998	6.7
148.07588	7.2
150.05486	0.6
150.09094	1.3
152.07103	3.2
160.03912	4.1
162.05496	6.7
164.07071	11.0
166.04942	2.1
166.08629	56.7
172.03923	62.5
173.04401	0.9
174.05484	1.7
178.04964	1.3
180.06554	0.8
182.08165	5.0
184.07446	0.8
184.10001	0.8
190.04982	14.9
190.08582	0.7
192.06592	1.4
197.10655	1.5
198.11453	0.8
199.12421	1.0
201.05324	0.7
204.06548	100.0
205.06795	1.5
207.09280	0.8
209.10745	1.8
211.12277	1.3
212.09427	2.1
213.10153	1.7
219.69623	0.6
222.07764	0.8
223.08551	0.8
224.09485	2.1
225.10229	3.8
226.10867	0.9
227.08093	0.7
227.11739	3.6
235.08492	1.6
236.09212	1.8
237.07957	1.4
237.10220	9.1
238.10968	1.6
239.08223	1.4
239.11810	3.9
241.09602	1.4
241.13211	1.2
243.11343	1.6
245.12718	1.1
248.09207	1.7
249.10181	1.8
251.08243	1.2
251.11780	5.9
252.08884	2.5
252.12439	1.2
253.09639	5.2
253.13268	1.0
255.11327	2.0
257.12753	1.0
263.11807	1.1
264.08966	1.4
265.09692	13.0
266.10422	1.5
267.11282	4.4
268.08514	1.0
269.12823	2.2
271.10718	3.5
271.14178	1.2
273.12378	5.1
277.09625	1.3
278.06833	0.7
279.08191	1.3
279.11252	9.4
280.08438	0.8
281.09290	1.8
281.12769	2.8
283.10782	6.0
284.11755	1.2
285.12460	3.4
286.12808	1.2
287.13882	3.9
289.09540	1.0
291.11108	0.8
293.09241	8.4
293.12531	0.9
294.10022	1.6
295.10834	1.7
297.12405	6.9
299.10257	2.6
299.13852	4.6
300.11102	1.1
301.15405	1.0
303.13531	1.8
305.14999	0.8
307.10635	3.5
309.12183	1.1
311.10449	1.4
311.13727	1.6
312.11029	1.8
313.11798	5.7
315.13608	1.7
317.06381	1.1
323.10162	1.1
325.11795	19.7
327.13211	2.4
329.14914	3.3
335.10120	4.5
339.13678	3.4
340.10330	1.0
341.11292	16.8
341.14896	1.3
343.12903	5.7
353.11343	8.8
355.12878	1.0
357.14456	27.8
358.14963	1.2
367.12778	1.9
372.17432	0.8
373.13745	3.5
385.13904	7.1
386.14731	0.9
398.14969	1.8
398.73846	0.7
399.15784	2.8
409.70529	0.8
413.12280	1.3
416.15732	1.3
420.19363	1.1
424.77670	0.8
432.19006	1.4
442.17563	1.2
446.17230	0.8
458.17175	1.8
460.18478	2.4
464.17569	2.0
465.18896	2.5
478.19699	7.7
479.20001	0.7
488.18161	9.2
490.19681	2.1
492.21121	1.9
494.22803	10.6
496.20657	1.1
506.19214	55.0
507.19803	1.4
508.20541	2.2
510.22205	2.8
520.20795	11.0
538.21753	12.9
569.23840	1.2
611.24872	8.2
629.25623	3.3
643.27466	5.5
661.28632	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	661.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.02698	1.1
59.93925	1.2
65.03941	1.2
67.05505	2.3
69.03410	2.4
69.07062	2.2
70.06569	3.0
79.05039	1.1
79.05483	3.3
80.05019	1.5
81.03413	3.5
81.07050	2.2
85.02894	3.4
91.05457	2.8
92.85706	1.1
93.05797	1.8
94.06566	4.8
95.05015	1.8
95.08601	2.6
96.08127	2.5
97.02922	1.7
98.21529	2.6
105.07021	2.5
106.06539	2.9
107.04939	5.2
107.07346	11.3
108.04485	1.6
108.08109	40.2
109.02838	2.9
109.10159	1.8
110.09660	2.3
110.65051	1.1
116.05002	6.1
118.06525	1.9
120.04451	4.2
120.08084	6.8
121.06477	1.3
122.06005	5.6
122.09673	24.6
124.07533	2.5
127.03861	1.7
131.08582	1.6
133.06456	1.4
134.06021	3.7
135.06784	2.2
136.07588	5.6
138.09146	3.0
144.04434	9.6
145.04788	1.8
146.06020	12.3
148.07538	3.9
150.05508	1.2
150.09137	53.7
151.09474	1.8
152.07059	2.2
156.08080	1.5
158.09619	1.5
160.03926	3.9
160.07602	2.3
162.05478	3.5
164.07057	3.4
166.08655	6.3
167.03372	5.8
172.03935	27.3
174.05489	6.9
176.07051	4.3
182.08109	2.0
186.09157	1.3
187.81541	1.2
188.07063	1.3
190.04987	23.3
190.06551	2.3
192.06471	1.5
197.07098	1.4
198.09183	2.7
199.08641	3.6
204.06552	47.7
209.10773	1.7
211.08618	2.8
212.09305	1.6
213.10170	4.8
215.11765	4.3
221.10728	2.2
223.12421	1.5
224.09462	2.1
225.10185	4.1
226.08629	2.0
227.11789	3.6
236.09370	1.7
237.10196	7.9
238.11038	2.8
239.11801	2.6
241.09708	4.4
241.13405	1.8
243.11298	27.3
248.09349	1.5
249.10196	3.7
250.10938	1.9
251.08168	3.3
251.11591	2.8
252.08894	3.2
253.09647	4.9
253.13321	3.2
254.10492	2.1
255.11137	3.0
257.09335	2.0
257.12817	5.4
259.10657	1.8
263.08087	2.6
263.11722	3.0
264.08911	4.1
265.09735	7.5
266.10504	2.3
267.11258	4.9
269.09079	2.9
271.10812	2.7
273.07620	2.8
273.12357	2.0
274.13217	1.4
277.09656	3.4
278.10425	1.6
279.07446	1.6
279.11264	4.3
281.09637	2.3
281.12842	13.1
283.10693	7.6
283.14383	6.7
284.11603	1.9
285.12329	43.8
286.13156	2.4
287.10300	6.3
291.11157	1.6
293.09180	2.9
294.10022	2.0
295.10602	2.1
297.12335	5.3
299.10242	4.0
299.13983	2.3
301.11725	5.2
302.12598	3.4
303.13367	54.8
304.13971	1.9
307.10593	2.4
308.11487	3.1
309.12311	43.9
311.10141	3.2
311.13971	5.9
312.14722	2.3
313.11728	2.0
315.10077	2.3
315.13651	2.3
316.11078	2.6
316.14548	2.1
323.10117	10.8
325.11749	3.8
326.12912	2.9
327.13406	13.8
328.10815	1.8
328.14267	1.9
329.11288	3.0
330.12427	5.3
331.13309	2.0
337.11563	1.8
339.13766	1.9
340.14395	2.6
341.11404	1.8
341.15030	9.6
342.12198	3.5
342.15985	1.9
343.13004	3.7
344.13870	5.3
345.14749	2.9
346.15247	2.6
353.11301	2.8
354.12405	2.1
355.13092	3.4
356.13913	1.8
357.14709	4.3
358.11691	2.1
358.15860	5.9
360.17166	2.1
367.12927	1.8
368.13962	3.2
369.09854	2.7
369.14395	1.6
370.11899	5.4
371.12573	4.8
372.13226	6.6
373.13840	4.0
374.14996	5.4
381.14951	1.8
382.15549	2.5
384.17325	2.6
385.14255	4.2
386.14932	16.9
387.15863	8.5
395.11371	3.2
396.13553	1.7
399.15613	1.8
400.12286	1.7
400.16565	3.8
401.13785	2.4
402.14261	4.7
402.18695	3.1
403.14932	2.7
404.16077	7.3
406.17606	3.6
410.14984	2.6
412.16425	2.4
413.12430	6.8
414.14471	18.0
415.15198	31.6
416.15717	2.0
418.17511	4.7
420.15579	3.0
428.15933	4.1
430.17792	6.1
432.15509	16.0
433.16522	1.6
438.15012	2.7
444.15250	2.7
446.17099	6.4
456.15561	18.0
462.16650	10.6
474.16580	81.8
475.16687	2.1
488.18225	3.5
490.20105	1.7
494.19363	2.0
504.21335	4.4
506.19138	22.7
507.19910	1.6
520.21313	2.3
565.23822	1.6
567.25641	3.8
569.23798	8.7
583.25800	7.7
593.23865	16.1
611.24982	100.0
612.25177	3.8
617.19257	1.5
625.26331	6.4
629.25848	2.5
643.27332	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.05507	1.1
56.96553	1.2
57.03434	0.7
59.18396	0.6
61.02922	1.1
65.03938	1.5
67.05502	3.3
68.99799	1.2
69.03421	2.9
69.07063	1.3
70.01169	0.6
70.06585	1.2
70.39645	1.8
72.08146	0.7
79.05488	3.2
80.05027	1.0
81.03411	3.1
81.07051	2.2
83.05061	0.9
83.08628	1.1
84.64774	0.7
85.02900	2.6
87.00800	0.9
91.05470	2.9
92.04996	2.9
93.05783	0.7
93.07043	3.5
94.06573	5.0
95.04965	2.4
95.07345	1.4
95.08582	1.3
96.08134	6.5
97.02892	1.4
97.06530	2.3
99.04445	1.0
103.05469	0.7
105.07010	1.5
106.06557	11.9
107.04942	2.0
107.07319	2.1
107.08496	0.9
108.04478	1.6
108.08122	8.3
109.02871	1.2
109.08819	0.7
109.10155	0.8
110.06052	0.9
110.09681	9.2
118.02892	2.9
119.08565	0.8
120.04462	8.8
120.08102	9.4
121.06479	1.0
121.10131	0.6
122.06012	3.6
124.07598	2.5
127.03927	2.1
131.08586	0.8
132.08060	0.9
134.05989	1.8
136.06625	1.2
136.07576	14.8
138.05460	3.5
138.09142	11.9
145.04965	0.8
146.05954	0.6
147.08020	0.7
148.03935	2.4
148.07570	69.9
149.08325	2.1
150.05525	3.1
150.09143	2.9
151.07538	0.8
152.07036	1.6
154.08611	2.3
157.10167	0.9
158.09598	0.7
160.03928	1.2
162.05493	12.5
164.07077	1.8
166.04970	2.2
166.08632	100.0
167.03438	0.9
170.08369	0.6
174.05489	0.9
174.09146	9.1
177.09154	0.7
178.04996	38.7
182.08163	2.2
183.09222	0.7
184.09972	0.9
188.03423	32.0
190.08554	0.7
192.06509	1.3
194.08163	3.0
196.06047	22.0
197.10823	1.5
203.08162	0.7
206.04454	6.1
210.07790	0.9
211.08594	0.8
212.10818	0.9
213.10251	2.1
216.58250	0.6
223.08603	0.9
224.09422	0.7
225.10173	5.6
226.10870	0.8
227.08316	1.0
227.11732	5.2
229.13261	5.2
237.10162	2.3
238.10895	2.0
239.08154	5.3
239.11775	1.2
240.08865	1.1
241.09718	7.4
241.13394	1.1
242.10452	0.8
242.13712	0.8
243.11450	0.7
243.14330	0.8
245.12840	1.6
249.10153	1.2
251.08188	3.4
251.11795	1.5
252.08972	1.7
253.09714	11.4
254.10493	1.3
255.11282	8.8
257.09293	0.8
259.05994	1.1
263.11618	0.9
265.09744	12.0
266.10461	4.8
267.11288	9.7
268.11993	1.1
269.09351	1.5
269.12802	3.9
271.11063	1.8
271.14404	52.8
273.12280	5.7
279.11127	1.7
281.09171	3.5
282.10062	1.8
283.10782	4.5
285.12390	14.7
289.15469	15.2
291.11108	1.1
293.09183	8.7
294.09906	1.2
295.10776	7.0
297.12320	4.9
299.10245	4.2
303.13474	1.7
307.10544	0.9
309.12335	1.3
311.10361	4.9
313.07248	2.0
313.11804	18.7
313.15323	1.2
315.05011	1.9
315.13364	17.0
317.06509	1.4
317.11319	1.9
321.12250	1.2
323.10092	1.4
325.11679	1.3
327.05042	3.5
328.14130	0.8
329.15070	3.0
331.12854	26.0
341.11270	11.3
343.12988	1.0
346.15601	1.3
347.16174	4.3
358.15417	1.6
359.12338	1.9
369.09625	2.5
373.14017	4.1
374.14926	1.7
376.16446	2.1
378.18143	2.7
385.14014	0.9
386.15012	1.7
388.16479	2.1
390.17978	0.9
400.16431	1.8
402.18344	1.0
404.16046	7.7
406.17627	9.6
413.12296	25.6
414.12714	1.3
416.15576	0.8
418.17609	3.3
419.18097	1.4
420.19095	2.9
422.17117	1.1
428.15948	1.3
430.17465	1.1
432.19138	1.1
434.16919	1.4
446.17053	7.8
447.17996	6.4
448.12552	1.1
448.18631	16.5
458.17197	1.1
462.20139	3.9
464.17990	15.2
465.18787	4.0
466.19693	4.7
476.18027	2.1
478.19586	2.4
506.19324	9.8
538.21747	6.7
569.23828	7.0
585.26636	2.2
587.24939	10.5
587.33820	0.5
593.23621	1.4
611.24957	7.1
629.26385	6.5
661.31799	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	661.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.6
55.01862	0.9
55.05274	0.6
55.05510	8.7
57.03437	7.6
57.07071	1.2
64.19536	0.6
65.03922	0.8
67.05502	30.2
69.07066	7.5
71.04989	0.8
71.59045	0.9
79.05491	17.7
81.07053	26.4
83.04973	1.5
83.08601	2.8
84.08131	0.7
90.36478	0.6
91.05482	9.8
93.07036	19.1
95.04948	2.2
95.08601	20.7
97.06511	1.1
97.10143	0.9
98.98457	12.2
102.08948	0.6
105.07017	5.5
107.08590	7.8
109.06548	0.8
109.10162	6.1
117.07037	1.0
119.08557	4.4
121.10133	6.4
123.11678	2.6
131.08554	2.5
133.10138	3.4
135.11685	3.3
136.99960	1.1
137.13274	0.8
145.10094	2.2
147.11685	1.5
149.13274	1.4
155.01033	8.7
159.11646	1.9
161.13287	1.1
199.17001	0.8
229.04745	1.3
234.97650	1.1
247.05869	1.0
261.22101	1.3
290.03967	0.9
290.90146	0.7
291.00394	1.1
309.01315	0.7
335.25781	100.0
336.26080	3.5
395.65854	0.7
441.01025	0.7
453.24728	0.7
661.38196	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	661.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
57.02590	0.5
65.03931	0.9
65.83591	0.5
67.05499	1.1
70.06579	0.9
71.04728	0.7
71.05050	0.7
79.05479	1.5
80.05021	1.2
81.05764	0.8
81.07057	0.8
82.06569	1.5
85.02883	0.8
89.03915	0.7
91.05454	1.8
92.05008	0.7
93.07038	4.8
94.06567	8.1
95.04953	0.9
95.07342	6.0
95.08575	0.7
96.08124	17.0
97.06517	1.7
97.08513	0.5
97.91661	0.5
100.10827	0.5
103.05416	1.1
106.06511	1.0
107.04941	0.9
107.07301	0.5
108.04458	0.6
108.08113	11.4
109.08856	1.2
110.09676	26.8
116.04961	2.0
118.06499	0.9
120.04462	5.1
120.07242	1.0
120.08103	18.4
121.06509	0.7
122.06013	3.4
122.09684	0.8
123.06799	0.8
124.07584	8.6
134.06004	2.0
136.07576	7.8
138.05524	4.2
138.09132	40.4
144.04428	5.9
146.05977	4.3
148.03999	1.0
148.07576	5.9
149.05981	1.1
150.05429	1.1
150.09154	0.9
152.07036	1.0
160.03952	1.4
162.05475	3.2
164.07088	1.2
166.05017	3.5
166.08630	64.4
167.09070	0.5
172.03923	28.1
174.05486	1.7
177.05479	0.7
178.04976	1.1
180.06535	0.6
182.09744	0.6
188.07094	0.8
190.04961	13.6
192.06558	1.2
195.06479	0.8
196.09874	0.6
197.10748	1.0
198.11639	0.6
199.08531	0.6
199.12282	0.7
204.06557	13.9
204.10239	0.5
209.10744	1.6
210.09198	0.7
211.08673	0.9
211.12209	0.9
212.09441	2.6
213.10205	1.3
216.06447	1.2
221.10748	0.6
222.11501	1.4
223.08743	0.7
223.12210	1.0
224.09448	2.3
225.10204	4.7
225.13747	0.6
226.10936	1.4
227.11833	3.9
234.09108	0.8
235.08714	1.2
236.09523	2.1
237.10208	10.7
238.10977	2.0
239.08255	1.4
239.11742	4.2
240.08784	1.2
241.09627	3.3
245.12909	1.2
246.21426	0.6
247.08760	0.5
247.14436	3.1
249.10304	1.9
250.07272	1.1
250.10992	1.7
251.08212	1.7
251.11827	7.5
252.08998	2.0
252.12616	0.8
253.09705	7.0
253.12466	0.8
253.13326	0.8
254.10484	0.9
255.11266	1.9
257.12744	1.1
263.11810	1.2
264.08975	1.4
265.09720	19.3
265.12610	1.1
266.10403	3.2
267.08783	0.5
267.11172	3.5
268.08563	0.9
269.09857	0.5
269.12851	2.2
270.41693	0.5
271.10770	4.1
273.12323	4.6
277.09692	0.8
278.06622	4.0
279.11255	10.1
279.14310	0.6
280.08536	2.0
280.11990	1.2
281.09207	2.0
281.12854	3.3
282.10001	0.7
283.10739	5.6
285.12277	2.9
287.13788	1.4
289.09760	0.9
291.11258	1.9
292.08209	1.7
293.09177	16.7
293.12308	1.0
294.09906	4.3
295.10794	2.1
296.11542	1.0
297.12323	7.4
299.10287	3.0
299.13791	1.0
300.11343	1.2
307.10843	4.7
309.12253	5.9
311.05518	3.9
311.10168	2.8
312.11026	3.4
313.11813	5.6
316.14386	0.8
323.10281	2.0
325.11804	17.7
326.12701	0.6
327.13260	0.9
335.10211	7.5
340.10538	2.1
341.11279	16.5
342.12604	0.7
343.13022	2.2
353.11298	13.1
354.11865	0.7
357.14456	4.3
358.15399	1.1
373.13931	8.8
385.14020	4.8
390.18146	0.9
398.15079	1.4
399.15701	2.2
405.09518	2.3
413.12323	0.8
414.18109	0.6
416.16037	1.5
418.17557	1.0
432.19144	0.7
434.20685	1.9
436.18573	0.8
437.19629	0.8
438.20120	0.7
440.16058	0.7
446.17096	1.4
458.17130	3.4
460.18698	2.5
462.19968	2.5
465.18939	9.5
476.17834	0.7
478.19666	6.8
488.18243	8.4
493.21939	0.6
499.13907	0.8
506.19208	100.0
507.19861	2.8
510.22293	2.0
520.20746	2.1
521.21521	3.3
538.21814	12.0
611.25067	8.6
661.24207	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.6
55.05513	8.1
57.03186	0.7
57.03439	8.1
57.07075	0.7
63.05262	0.6
65.03947	1.3
67.05505	31.6
69.07069	8.4
69.26719	4.8
69.27120	0.9
71.04991	0.8
71.08630	0.7
72.62119	0.5
79.05493	14.9
81.07056	25.7
83.04974	0.9
83.08624	2.8
85.06557	0.7
87.38126	0.6
91.05478	8.6
93.07043	16.3
94.85053	0.5
95.04972	2.5
95.08607	20.7
96.08895	0.5
97.06542	0.9
97.10172	0.6
98.21485	1.0
98.98454	7.5
105.07029	5.4
107.08591	7.4
109.06497	1.1
109.10162	7.8
111.08067	0.7
117.07015	1.6
119.08585	4.2
121.10147	6.1
123.11687	2.6
124.61477	0.5
125.63554	0.5
131.08580	2.4
133.10133	2.8
135.11702	4.0
136.99982	1.0
137.13234	0.9
145.10126	1.7
147.11716	1.3
149.13232	1.4
155.01030	7.6
159.11609	0.9
161.13283	1.2
173.02231	0.6
173.13274	1.0
199.16960	1.8
211.03606	1.1
229.04710	0.8
234.97778	1.3
247.05733	0.6
261.22076	0.9
291.00195	1.0
317.24908	0.7
335.25793	100.0
336.26309	2.5
661.38165	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.4
55.05515	19.7
57.07059	3.1
59.04982	1.6
65.02118	1.4
65.03956	1.4
67.05509	21.1
68.89277	1.4
69.07068	19.7
69.47392	5.7
69.47823	5.9
71.04993	2.5
74.40809	1.4
79.05501	19.3
81.07059	19.6
83.04989	3.1
83.08625	18.2
85.06561	1.9
91.05467	10.8
93.07046	22.8
95.04958	2.4
95.08614	12.8
97.06532	4.9
97.10155	5.5
98.98450	1.8
105.07037	6.1
105.80422	1.5
107.08601	11.5
109.10155	7.1
109.52249	1.6
111.08073	3.4
119.08556	3.5
120.75125	1.2
121.10123	9.3
123.08072	1.5
125.09601	2.1
131.08516	1.8
133.10100	3.4
135.11734	2.6
143.14407	1.6
145.10118	3.6
149.13248	12.6
167.14343	6.3
179.44995	1.6
184.07317	2.8
185.15414	2.2
217.46971	1.6
218.58276	1.5
224.26036	1.7
228.19527	2.7
241.17958	17.3
248.81627	1.5
259.19049	2.8
335.25754	4.3
400.61224	1.8
499.14978	1.9
519.40497	100.0
520.40442	3.1
622.07782	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41742	0.5
55.01864	0.7
55.05499	1.5
55.93510	0.9
56.96288	1.0
56.96559	12.6
57.03444	0.7
57.07050	0.7
57.93550	0.6
59.77856	0.5
67.05511	3.6
69.03419	0.7
69.07059	1.9
69.77467	3.3
70.06577	0.7
70.95868	0.8
71.95267	1.2
72.93777	1.4
79.05485	2.6
81.03412	1.8
81.07036	3.0
84.96031	0.7
85.02883	0.9
85.06547	0.6
90.94814	1.4
91.05491	3.9
93.07026	2.2
95.04939	1.5
95.08586	1.6
97.06507	1.1
98.20794	0.6
105.01432	0.6
105.07018	2.7
107.04909	1.3
107.08570	2.1
109.10139	1.1
116.98537	0.7
117.07042	0.9
119.08580	1.8
121.06496	1.2
121.10107	0.8
123.01197	0.6
128.98578	1.4
131.00063	0.8
131.08641	0.9
133.10124	1.3
135.08147	0.6
140.98486	0.8
142.60612	0.7
145.10164	1.2
146.99634	2.2
147.03308	0.8
154.99982	0.9
156.95807	0.6
159.11687	0.8
170.85484	0.6
171.03256	0.8
173.01080	0.7
174.99023	0.9
176.11180	0.6
185.04814	1.3
187.02744	1.2
187.06415	0.7
189.00513	0.8
189.04390	1.4
191.00038	0.7
191.03702	0.9
191.05939	0.6
195.07085	0.7
199.02470	0.7
199.06450	1.4
203.05913	2.2
205.07338	0.7
207.06860	0.7
209.06827	0.7
211.02614	1.1
213.03860	0.8
213.07906	1.0
217.07474	2.1
221.08560	0.7
225.07935	1.7
227.05579	0.6
227.09485	0.8
229.07350	1.1
231.09065	1.3
237.04286	0.7
237.07922	0.8
239.09587	2.3
243.09045	2.3
251.09483	3.2
253.11098	1.4
255.09122	1.5
257.10605	2.0
259.10062	0.6
261.10205	0.7
265.11111	0.8
269.10574	2.4
273.10110	0.6
275.19940	1.2
277.11105	3.9
291.12701	0.7
295.12283	1.3
307.12341	1.0
307.15683	0.8
313.14639	1.0
331.15771	40.3
332.16269	1.0
333.18954	0.9
346.12668	0.9
347.12985	12.3
349.16830	100.0
350.17337	3.0
351.20322	0.7
363.11017	1.3
364.11249	0.9
365.14001	2.2
367.17905	51.0
368.18362	1.1
372.18405	10.5
388.15359	1.0
390.19440	8.6
623.35309	1.0
627.26068	0.7
641.37000	2.1
651.60339	0.6
659.36859	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	659.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11192	1.3
56.96301	2.5
56.96569	43.5
61.02917	1.6
65.61685	1.4
67.05500	3.9
69.07047	1.7
69.79153	8.7
71.95251	2.7
72.96053	1.5
79.05482	2.7
79.46342	1.2
81.03429	1.4
81.07046	3.5
91.05495	2.7
93.07030	1.4
95.08585	1.4
97.96850	2.1
98.20837	1.9
105.07050	2.4
123.01183	1.5
128.98589	2.9
137.02718	1.4
146.99675	3.6
153.02213	2.0
155.03781	2.6
157.01720	3.2
167.03798	1.5
171.03279	4.8
173.05028	1.4
175.02696	1.5
185.04825	4.9
189.04411	7.7
189.05821	1.3
191.05875	1.4
193.05396	1.7
195.06821	1.8
197.04916	1.4
199.06451	8.0
203.05920	10.2
211.06476	3.6
213.08003	9.1
215.49007	1.3
217.07480	12.7
223.06558	1.6
225.08000	6.9
227.09625	3.3
229.07521	4.0
231.09004	16.7
237.07967	3.8
238.30612	1.3
239.09566	6.2
243.09032	5.8
245.10612	3.8
249.07924	6.0
251.09523	6.6
255.09048	22.0
257.10556	5.1
267.09042	31.2
269.10596	54.1
270.11060	1.6
273.10080	17.6
278.10464	2.2
279.09134	1.9
280.09818	1.7
285.10101	49.7
287.11664	27.6
290.10590	3.3
291.12619	4.2
292.12225	5.5
295.12277	1.6
303.11267	6.9
308.11557	4.1
309.13727	6.2
310.13135	1.9
331.15860	10.9
349.16895	41.1
350.17444	1.5
367.17947	100.0
368.18390	3.6
372.18448	3.5
385.19055	14.0
390.19513	16.9
487.92422	1.5
561.30829	3.4
641.37073	1.7
659.38275	28.1
660.38641	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	659.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01817	0.3
55.05463	0.9
55.05711	0.3
56.96562	29.3
56.96827	1.5
57.03400	0.4
67.05493	1.7
69.07016	1.0
69.33557	1.5
69.33990	1.8
71.95263	1.9
72.95994	1.0
73.41631	0.4
74.97575	1.1
79.05481	1.7
81.03393	0.4
81.07037	1.7
83.08599	0.3
83.22703	0.3
84.95970	1.0
85.02843	0.3
91.05424	1.2
93.06983	1.0
93.81165	0.3
95.08553	0.7
97.96798	0.6
105.00119	0.4
105.06987	0.9
107.04904	0.6
107.08534	1.1
109.06459	0.6
109.10072	0.6
110.97536	1.4
115.97748	0.5
116.98574	0.7
119.08533	0.8
121.06516	0.3
121.10085	0.5
123.01140	1.5
128.98604	2.8
131.00208	0.4
131.08510	0.5
133.01668	0.6
133.10126	0.6
133.98769	0.3
137.02690	1.0
141.02167	1.2
146.99629	4.3
147.03215	1.4
151.04300	0.4
153.02194	0.8
153.60182	0.4
155.03763	1.7
157.01714	0.9
159.01053	0.3
159.03207	0.9
161.01189	0.7
161.04837	0.6
165.00652	0.9
167.03749	1.0
169.01700	2.1
169.05273	1.0
171.03270	1.8
173.04852	1.3
174.02094	0.4
175.02721	0.5
181.05373	0.8
183.03220	0.8
183.07079	0.4
185.04869	2.2
187.02740	2.3
187.06342	0.7
189.04315	1.8
191.03708	0.4
191.05881	1.1
193.05217	0.4
195.06950	0.7
197.01138	0.6
197.04764	1.1
199.06410	3.2
201.04318	0.7
203.05856	2.9
203.07480	0.7
205.07382	0.9
207.06981	0.8
209.04840	0.9
209.08464	0.4
211.06459	1.7
213.04254	0.4
213.07939	1.4
215.05806	1.0
217.05461	0.4
217.07426	4.6
219.06941	0.7
221.08424	1.5
223.02710	0.7
223.06427	0.4
223.08426	0.8
225.07909	2.1
227.09521	0.8
229.07333	0.9
231.06984	0.4
231.08987	1.3
233.08453	1.1
235.06311	1.1
235.10179	0.7
237.07904	1.5
239.05777	0.5
239.09532	2.8
241.07460	0.5
241.11203	0.6
243.09004	2.3
245.08424	0.7
245.10461	0.8
247.10075	0.9
249.07915	1.2
251.09520	4.3
253.11053	1.5
255.08987	3.6
257.10651	2.3
259.09958	1.1
259.12369	0.8
263.09534	3.2
265.11105	2.4
267.09094	0.5
269.10602	4.6
271.12201	0.8
273.09848	2.0
275.09344	1.1
275.20175	0.6
277.11121	13.2
277.14166	0.6
278.11353	0.4
279.09454	0.6
279.12631	3.5
280.09650	0.4
281.10587	8.9
283.12158	1.5
284.78818	0.3
288.12698	0.4
289.11176	0.6
291.12646	3.1
293.10684	0.5
293.14200	0.7
295.12131	6.0
297.10596	0.5
297.13638	2.3
299.11591	5.8
300.12625	1.0
303.16327	0.5
304.12134	0.7
307.12250	0.8
307.15598	0.7
309.13831	0.7
311.15460	0.5
313.14758	1.3
322.13370	0.4
331.15768	48.7
332.16086	1.0
349.16830	100.0
350.17200	2.8
354.17288	0.5
363.18475	0.4
366.09741	0.4
367.17892	88.7
368.18002	1.8
372.18448	7.3
373.50198	0.4
385.19009	2.1
390.19498	11.6
391.19858	0.7
472.89764	0.4
537.24939	0.4
641.37030	1.9
659.38019	10.1
660.39227	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70697	0.4
56.96565	23.3
60.84213	0.4
61.02941	0.5
67.05508	1.0
69.05730	0.3
69.65641	3.0
70.06586	1.1
71.95282	2.1
72.96047	0.6
74.97615	0.7
79.05489	4.2
81.07057	1.2
84.96044	1.2
86.09721	0.6
91.05482	0.8
92.98666	0.7
93.07061	0.8
95.04976	0.4
95.08594	0.8
105.07047	1.0
107.04948	1.3
107.08633	1.0
109.06569	0.5
110.97606	0.7
117.07037	0.6
119.08567	0.8
128.98613	1.8
131.08537	0.6
137.02673	0.5
141.02229	0.9
145.01717	0.5
146.99643	3.9
147.03319	0.9
155.03809	1.0
159.03287	1.0
161.01250	0.5
161.04973	0.5
165.00713	1.1
167.03868	0.6
169.01761	1.0
169.05415	0.8
170.02553	0.5
171.03377	0.9
173.04903	1.2
175.02831	0.5
179.02219	0.4
181.05296	0.7
185.04913	1.2
187.02794	2.5
189.04308	1.5
191.03867	0.4
191.05917	1.0
195.06892	0.9
197.04788	0.6
199.06450	1.4
201.08087	0.4
203.05914	1.7
203.07559	0.6
213.08000	0.8
217.05612	0.8
217.07486	3.5
219.10843	0.5
221.08530	1.3
223.02791	0.7
225.04216	0.7
225.07990	1.1
227.05937	0.8
229.07327	0.8
230.38173	0.4
231.08916	0.7
234.75142	0.6
235.06476	0.7
237.07774	0.6
239.09496	1.2
241.13203	0.6
242.04810	0.5
243.08955	3.4
247.10245	0.9
251.09543	1.1
253.13051	1.0
255.09041	0.9
257.10626	1.0
259.10086	1.3
261.07761	0.5
261.10178	1.8
263.09427	0.5
265.11148	1.3
269.10690	1.2
271.14014	1.0
273.10083	0.9
277.11130	15.3
278.11325	0.5
283.12088	0.8
291.12698	1.8
293.14084	0.6
295.12115	6.0
300.12775	1.3
309.13818	0.7
313.14798	1.7
331.15787	55.2
332.16052	2.4
333.24200	0.5
334.24493	0.5
347.15216	0.5
349.16843	100.0
350.17233	4.0
354.17087	0.8
367.17920	5.5
372.18457	17.4
373.18698	1.1
385.18826	0.5
419.54703	0.5
460.84564	0.6
569.80402	0.5
623.35461	0.9
659.36285	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94899	0.4
55.05482	0.7
56.96564	22.5
65.03899	0.4
66.16809	0.4
66.80339	0.4
67.05463	0.7
69.07053	0.5
69.32636	4.1
70.06561	0.8
71.95216	2.0
72.96011	0.8
74.97590	1.0
79.05496	4.3
81.07008	1.7
82.49191	0.4
82.95810	0.5
84.95988	0.9
86.09670	0.8
91.05441	1.5
93.07042	0.7
95.08590	1.0
97.06520	0.5
98.20641	0.5
105.00109	0.5
105.07019	1.1
107.04929	0.9
107.08565	0.8
110.97567	0.8
116.98549	0.5
117.64301	0.4
119.08528	0.5
120.08111	0.5
121.01758	0.5
123.01175	1.0
128.98584	1.5
135.11601	0.5
137.12038	0.4
141.02200	0.8
145.01634	0.5
146.99658	4.4
147.03224	0.9
155.01122	0.5
155.03654	0.6
159.03236	0.7
161.01155	0.9
165.04271	0.5
167.03735	0.8
169.01688	1.5
171.03239	1.1
173.04874	1.5
183.06953	0.4
184.07353	0.4
185.04849	1.4
187.02701	1.3
187.06416	0.8
189.04297	1.5
191.05888	1.1
193.03818	0.7
195.06914	0.8
197.04886	0.8
199.06404	2.1
201.04274	0.6
203.05830	1.8
203.07512	0.6
207.06950	1.0
211.06512	0.7
213.07942	0.8
215.05873	0.4
217.05632	0.7
217.07404	2.4
221.04897	0.5
221.08565	1.0
225.08017	1.1
229.07413	0.6
231.08968	1.0
235.06366	1.1
237.07814	0.9
239.09476	1.7
241.07497	1.4
242.15054	0.5
243.08963	3.3
247.10091	1.3
249.08142	1.0
251.09520	1.8
253.07375	0.8
255.09015	1.8
259.09924	0.9
261.10153	1.6
265.10974	1.2
267.09027	1.3
269.10559	1.3
273.10123	0.7
277.11093	13.7
279.12622	0.5
283.11972	0.5
285.10083	1.9
291.12708	1.8
293.14331	0.8
295.12161	6.2
297.13980	0.5
300.12787	1.0
300.18903	0.4
313.14816	1.1
329.14221	0.9
331.15781	56.1
332.15994	2.1
333.24225	1.6
347.15186	0.8
349.16852	100.0
350.17279	2.5
363.18036	0.5
367.17914	8.3
372.18454	16.8
373.18869	0.6
385.18961	4.0
390.19583	0.5
404.24612	0.5
408.20734	0.6
479.31436	1.6
515.70032	0.5
623.36060	1.3
659.36530	22.8
660.36774	1.8
680.94330	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44151	0.4
55.05507	0.5
67.05495	0.6
70.06596	1.8
70.45526	0.5
71.59647	0.5
72.08161	0.6
79.05484	0.5
81.07053	0.9
84.08128	1.1
86.09705	1.5
91.05452	0.7
95.08659	0.6
107.04994	1.0
107.08533	0.5
109.02886	0.5
109.10151	0.5
121.06505	0.6
129.10207	0.7
131.08592	0.5
136.07587	0.8
203.05322	1.4
243.11418	1.1
285.12286	1.0
287.44925	0.5
303.13367	0.7
461.30432	1.7
479.31308	30.5
480.32043	0.8
497.32578	1.0
659.37628	100.0
660.37799	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	659.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.3
55.05512	1.2
55.95868	0.2
56.96561	40.0
57.07082	0.5
57.93570	0.5
67.05504	2.2
69.03438	0.3
69.07064	1.7
70.95872	0.3
71.95255	3.9
72.93788	0.5
72.96052	1.5
74.97607	1.2
75.94601	0.5
79.05479	2.0
81.03436	0.4
81.07053	2.6
83.08601	0.4
84.96016	1.0
88.96906	0.3
90.94833	0.7
91.05469	2.4
92.98667	0.7
93.07030	1.3
95.04979	0.4
95.08617	0.9
97.06528	0.8
97.96882	0.8
97.99194	0.3
98.20634	0.5
98.97574	0.7
102.96960	0.5
105.00130	0.4
105.07022	1.2
107.04982	0.4
107.08588	1.1
109.06523	0.4
109.10159	0.6
110.97617	1.1
114.96859	0.4
115.00724	0.8
115.97805	0.6
116.98489	2.8
117.07033	0.5
119.08598	1.2
121.06459	0.3
121.10156	0.5
123.01178	1.2
125.09602	0.3
127.00661	0.4
127.67236	0.2
128.96439	0.3
128.98550	3.6
129.02258	0.4
129.99277	0.3
131.00021	8.4
131.08557	0.8
132.97932	0.4
133.01704	1.3
133.10130	0.9
133.98763	0.4
134.99536	1.0
137.02724	1.4
137.09636	0.4
139.00636	0.7
140.00000	0.3
140.98439	4.3
141.02229	1.5
143.00011	3.6
145.01675	1.1
145.10153	0.5
146.99605	4.1
147.03293	1.0
147.11720	0.9
148.98956	0.5
149.01073	2.5
149.09631	0.4
151.00624	0.7
151.02806	0.3
153.02176	1.3
153.99231	1.1
154.01654	0.5
154.99994	3.1
155.03784	2.4
155.08626	0.3
156.97887	0.4
157.01657	3.3
158.99489	2.5
159.03271	1.8
159.11682	0.4
160.97403	0.3
161.01093	1.9
161.04889	0.3
161.98239	2.5
163.02757	0.5
164.00029	0.5
164.99492	0.6
165.00696	1.0
165.02039	0.4
166.01617	0.3
167.00046	2.0
167.03731	1.9
169.01668	3.1
169.05397	1.0
170.99452	1.4
171.03253	5.5
173.01070	3.1
173.04800	1.7
173.13229	0.4
174.98987	6.2
175.02782	0.7
175.99951	0.3
177.00606	2.0
177.04352	1.2
177.05789	0.4
178.01656	0.4
178.99997	0.3
179.02361	0.4
179.03848	0.6
181.01576	1.1
181.05351	1.2
182.99408	0.6
183.03278	1.9
183.06870	0.6
185.01082	5.5
185.04823	5.6
186.01828	0.9
186.99016	1.0
187.02719	2.3
187.06416	1.5
189.00565	9.4
189.02428	0.5
189.04323	6.3
191.04018	0.3
191.05933	1.1
193.05386	0.8
194.04816	0.5
194.99652	0.4
195.03223	0.4
195.06870	2.2
196.02707	0.3
197.01068	0.9
197.04849	1.3
197.08554	0.5
198.00615	0.3
199.02638	6.9
199.06386	8.1
200.03505	0.3
201.00536	0.4
201.04402	1.4
201.07956	0.5
203.02129	6.4
203.05890	8.2
205.05603	0.3
205.07446	1.0
207.05325	0.6
207.06992	1.1
208.06383	0.5
209.01155	0.6
209.04823	1.0
209.06706	0.3
209.08572	0.6
210.02057	0.3
211.02711	1.4
211.06337	3.4
211.10022	0.5
212.02122	0.5
212.05750	0.3
213.00597	0.5
213.04459	2.1
213.07961	14.8
215.02158	0.5
215.05801	1.9
215.09564	0.5
217.03886	1.9
217.07446	14.0
218.07892	0.3
219.06917	0.7
221.06888	0.8
221.08556	1.2
223.02759	0.6
223.06410	0.7
223.10071	0.8
225.04282	0.8
225.07962	8.8
225.11533	0.5
226.03734	0.8
226.07587	0.4
227.02074	0.6
227.05908	0.9
227.09529	2.5
229.03642	0.6
229.07439	2.9
231.06979	1.8
231.09012	24.0
232.09337	0.6
233.08549	0.4
235.06473	0.5
235.08511	0.6
236.05734	0.3
236.09554	1.5
237.04291	1.3
237.07942	2.8
237.10028	0.4
239.05765	1.1
239.09535	6.9
239.11942	0.4
240.09036	0.5
241.07365	3.3
241.11067	1.8
241.19627	0.3
243.05304	0.3
243.09033	6.3
243.12802	0.4
245.10609	3.1
247.08475	0.5
248.09511	0.7
249.07928	4.9
251.05862	1.4
251.09480	14.6
252.09361	0.4
253.07590	0.6
253.11125	0.6
254.10640	1.1
255.09021	23.9
256.09488	0.5
257.10599	4.6
259.12195	1.3
262.08673	0.6
262.11200	0.5
265.11182	0.3
267.06726	1.6
267.09036	28.5
268.06763	0.7
268.09457	0.6
268.12167	0.5
269.06940	12.1
269.10574	100.0
270.10898	1.9
271.08514	0.4
273.10056	15.7
274.10464	0.7
275.20132	1.5
277.11157	0.3
278.10632	2.2
279.08939	1.4
280.09750	1.4
283.08731	0.3
283.12149	0.5
285.10098	41.6
286.07986	0.8
286.10544	1.0
287.11624	42.3
288.11960	0.7
290.10629	2.7
291.19507	0.4
292.12158	12.3
293.12231	0.4
294.09985	0.7
296.11713	1.2
296.15295	0.3
297.10068	0.7
298.10962	0.3
303.07648	0.3
303.11060	4.1
303.16302	0.4
307.15866	1.0
308.11841	3.6
310.09698	0.4
310.13144	3.0
311.15237	0.3
313.14658	0.7
321.17209	0.5
329.14114	0.4
331.15768	9.1
332.16174	0.3
333.14899	0.3
333.24277	0.5
349.16837	28.7
349.23810	0.8
350.17130	1.0
366.19516	0.4
367.17892	92.3
368.18216	3.0
369.18488	0.3
372.18323	2.2
385.18964	12.7
390.19516	13.9
391.19818	0.8
408.20816	0.5
449.22366	0.3
463.23709	2.7
543.30359	0.3
547.29376	0.9
561.30963	9.5
562.15710	0.4
562.30951	0.5
577.30597	1.2
641.36981	0.8
659.38196	31.3
660.38397	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	659.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01727	0.5
51.19389	0.5
56.39585	0.5
56.96568	0.4
61.40743	0.4
70.06591	5.9
70.94682	1.2
71.95860	0.4
72.08163	1.1
84.04508	1.2
84.08144	1.8
86.09721	2.6
86.84460	0.4
88.03996	0.4
88.35204	0.4
93.07069	0.7
94.13827	0.5
94.62930	0.5
95.08607	0.5
102.05545	0.5
107.04964	1.7
110.07172	1.4
120.08141	0.7
125.65026	0.4
129.10268	1.4
136.07553	1.1
184.07382	0.6
217.57738	0.5
221.55151	0.4
222.16513	0.5
222.18614	0.5
243.11642	0.6
260.61368	0.4
278.38193	0.4
296.31970	0.5
299.16248	1.0
303.13358	0.5
305.14917	0.6
395.22028	1.4
408.71906	0.5
439.28336	1.0
461.30289	0.7
479.31311	19.1
497.32513	1.5
516.44366	0.5
641.36920	0.8
659.37628	100.0
660.37750	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.4
52.98833	1.2
53.03960	6.6
55.01873	4.9
55.05519	12.5
57.03439	22.5
57.07068	2.5
59.04991	1.3
61.02928	90.3
63.73144	1.2
65.03928	1.7
67.05507	46.0
69.03082	2.6
69.03430	35.3
69.07077	10.4
70.04275	2.6
70.04660	2.7
71.01353	4.0
71.04982	5.8
73.02921	29.3
75.04473	2.0
79.05493	26.5
81.03415	24.5
81.07057	46.2
83.04977	3.8
83.08617	6.1
84.11417	1.3
85.02908	100.0
87.04463	3.4
91.03956	65.8
91.05479	17.8
91.18063	1.2
93.07043	32.2
95.04967	5.5
95.08611	29.8
97.02895	88.3
97.06527	2.8
97.10175	2.6
98.21396	1.9
99.04461	15.1
101.02389	9.8
101.23940	1.5
103.03933	7.7
105.07034	14.1
107.08598	13.8
109.02882	10.9
109.06507	2.5
109.10158	16.3
111.04425	3.5
115.03926	5.7
117.05504	2.2
117.07027	5.6
119.08594	10.0
121.10146	15.0
123.08073	2.7
123.11703	4.8
127.03918	34.3
129.05482	5.6
129.07016	3.6
131.08551	9.2
133.10132	10.9
135.11661	12.5
137.09619	1.7
137.13370	1.3
139.11174	1.3
141.28526	1.3
143.06985	1.4
143.08569	3.1
145.04965	22.4
145.10129	6.2
147.11700	7.4
149.09608	1.7
149.13284	6.6
159.11699	8.3
161.13231	5.4
163.06000	9.2
163.14812	3.3
169.10078	1.8
173.13266	6.0
175.14891	1.6
177.16510	1.5
179.14218	1.5
183.06531	6.9
187.14865	2.9
201.07532	5.4
227.20061	2.3
239.65222	1.4
243.21025	3.5
261.22137	15.7
285.22113	2.0
303.23257	3.0
312.73181	1.5
333.24310	2.7
335.25797	57.5
336.26349	2.3
340.73270	1.5
363.25345	2.0
369.24268	2.1
423.41705	1.8
443.27927	3.1
461.29083	2.0
479.30069	4.9
497.30820	2.5
532.31622	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.3
55.01864	4.6
55.05503	10.8
57.03443	24.3
57.07048	2.8
61.02928	87.2
65.03938	3.8
67.05503	41.1
69.03432	31.5
69.07066	8.7
70.06588	5.7
70.19151	11.1
71.01353	5.3
71.04990	7.0
73.02922	32.6
77.16739	2.0
79.05491	31.5
81.03420	21.3
81.07052	45.7
83.05003	4.1
83.08602	3.6
85.02908	100.0
87.04472	2.9
87.46565	2.5
88.07642	8.9
91.03960	67.8
91.05481	16.2
93.07045	37.7
95.04965	5.9
95.08608	39.0
97.02897	82.6
99.04457	15.4
100.65879	2.4
101.02364	5.5
102.09178	5.8
103.03938	10.4
105.07041	13.2
107.08601	23.6
109.02879	12.8
109.06512	2.5
109.10162	17.2
111.04456	3.5
111.08132	2.9
115.03919	8.0
115.72025	2.3
117.06992	7.1
119.08577	13.0
121.10123	16.8
123.11720	8.2
125.31433	2.2
127.03921	36.7
129.05492	6.7
131.08577	8.9
133.10106	11.5
135.11668	15.1
137.13254	3.0
145.04965	23.4
145.10126	8.1
147.11694	6.2
149.02303	12.8
149.13254	8.3
150.02664	3.8
159.06549	3.0
159.11693	7.5
161.13290	5.9
163.06026	4.4
163.14859	3.7
168.14412	2.7
171.06563	2.8
173.13280	5.9
175.14850	3.2
177.16324	2.4
183.06506	13.5
183.66217	2.6
187.14824	3.2
193.05005	16.1
194.05319	6.9
194.67471	2.5
201.07549	5.9
205.16055	2.9
237.07567	4.5
243.21103	6.5
256.26355	9.8
257.26736	10.8
261.22137	21.5
335.25809	87.1
335.29843	4.3
359.07709	3.0
385.08807	2.8
386.09399	3.0
429.11682	5.8
430.12122	7.4
443.27933	3.4
479.29913	6.9
645.47937	2.6
659.35992	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81515	2.4
53.03939	7.3
55.05507	9.4
57.03436	22.5
61.02926	84.0
65.03940	2.6
67.05505	39.0
69.03427	40.4
69.07050	12.2
71.01360	3.1
71.04994	7.0
72.27619	2.5
73.02921	28.5
75.04475	3.2
79.05494	29.0
81.03425	25.6
81.07059	42.0
83.04991	3.7
83.08601	6.0
85.02901	100.0
87.04473	3.2
91.03950	60.6
91.05484	23.3
93.07030	34.2
95.04942	4.2
95.08606	36.6
95.96223	2.5
97.02892	73.8
97.03519	4.1
97.10140	4.7
99.04458	17.0
101.02369	6.8
103.03942	9.6
105.07021	10.0
107.08588	20.5
109.02879	15.3
109.10152	18.2
111.04427	3.4
115.03918	9.7
117.05476	2.8
117.07006	5.7
119.08579	9.1
121.10124	17.8
123.11722	6.8
127.03918	32.0
129.05466	7.2
131.08563	11.8
133.10141	9.2
135.11710	12.1
145.04959	20.8
145.10112	8.9
147.11719	6.4
149.13226	5.1
154.54384	2.6
159.06505	3.2
159.11710	6.9
161.13293	4.2
163.06076	5.3
163.14745	4.0
173.13304	6.9
180.50711	2.9
183.06526	10.5
201.07535	2.9
201.16504	3.1
243.21031	5.8
254.21915	2.9
261.22165	14.0
277.21381	3.0
289.53534	2.8
317.94168	2.3
326.90549	2.6
327.69412	2.7
335.25784	66.4
336.26276	3.8
355.21445	2.8
377.26559	2.6
392.26248	3.1
479.29886	6.3
520.96783	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	659.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.7
55.01871	4.3
55.05510	9.2
56.96568	25.7
57.03440	25.6
57.07078	1.8
61.02926	81.2
65.03928	2.3
67.05502	45.8
69.03431	34.5
69.07069	8.7
69.07398	1.7
70.34275	7.7
71.01341	5.0
71.04987	6.8
71.95248	2.0
73.02923	25.0
75.04449	1.8
79.05486	24.1
81.03419	26.1
81.07055	38.0
83.04967	5.4
83.08620	3.5
85.02904	100.0
87.04459	4.0
91.03951	58.7
91.05474	20.0
93.07034	33.3
95.04977	6.5
95.08617	27.7
97.02891	84.5
97.06527	2.5
97.10177	2.3
99.04469	15.7
101.02370	10.0
103.03937	9.1
105.07018	14.8
107.08593	17.0
109.02239	1.6
109.02865	10.9
109.06532	2.0
109.10156	16.7
111.08007	1.7
115.03934	7.2
117.05492	2.8
117.06998	5.1
117.63591	1.7
119.08591	11.7
121.10143	18.0
123.11709	5.9
127.03909	34.9
128.98613	2.0
129.05479	4.9
129.07071	2.2
131.08594	10.3
131.93135	2.0
133.06464	1.6
133.10107	8.5
135.11694	10.5
141.05475	1.7
143.08540	2.0
145.04962	24.3
145.10094	8.1
146.99617	2.4
147.08040	1.9
147.11697	6.7
149.01167	2.1
149.13287	7.3
159.03244	1.8
159.06578	1.8
159.11696	6.4
161.13223	7.6
163.06046	7.9
163.14825	2.3
169.01654	2.7
169.10135	1.7
171.03270	1.8
171.11739	2.5
173.13211	8.1
174.99057	2.6
175.14890	2.3
183.06549	5.5
185.01103	1.9
185.04935	2.5
187.14827	2.9
189.04213	2.4
199.06439	4.1
201.07628	5.8
203.05919	3.7
211.14890	2.2
213.08020	7.7
215.05945	1.9
217.07529	6.8
225.07976	4.2
229.07475	2.0
231.06900	2.9
231.09000	14.1
239.09578	6.8
241.07440	2.4
241.11182	2.3
243.09109	3.6
243.21051	3.7
245.10667	2.4
249.08060	4.8
251.09662	4.7
255.09142	12.0
257.10565	4.1
259.20706	1.6
261.22177	18.4
267.09018	20.6
269.07120	2.3
269.10587	47.7
273.09946	8.8
279.23471	1.8
285.10107	23.2
287.11673	24.8
292.12222	6.6
303.23370	2.0
331.15784	4.8
333.24359	2.3
335.25787	57.8
349.16779	23.0
363.25598	2.8
367.17923	54.0
372.19046	1.7
385.18961	9.4
390.19476	7.0
443.05569	1.9
443.28259	3.0
461.29141	3.2
479.29987	4.4
497.30789	2.6
561.30457	3.9
605.66437	2.0
659.37958	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.2
55.05484	0.9
55.75953	0.6
56.64076	0.7
57.03390	0.9
58.84526	0.6
61.02906	1.7
67.05483	2.6
69.03408	1.6
69.07043	0.9
70.06596	3.7
71.33761	1.2
73.02893	0.6
79.05466	1.9
80.04980	1.2
81.03389	2.1
81.07021	2.3
82.06574	1.0
84.08136	1.1
85.02914	1.6
85.09985	0.6
86.09687	1.2
89.03977	1.0
91.05459	2.5
93.07030	4.5
94.06558	4.9
95.04952	2.2
95.05976	0.8
95.07320	2.6
95.08588	1.3
96.08125	6.7
97.02906	0.9
97.06526	1.7
97.39019	0.7
107.04935	4.6
108.04461	1.2
108.08117	6.9
109.02869	0.8
109.10125	1.7
110.09682	8.5
116.04948	2.7
119.08535	1.0
120.04433	1.4
120.08109	8.2
121.06493	1.2
122.06000	5.7
124.07589	5.4
127.03896	1.0
128.38943	0.7
132.08113	0.9
133.10109	0.7
134.06004	1.6
135.06767	0.8
136.07570	10.5
137.06012	0.7
137.58055	0.6
138.09120	12.2
144.04445	6.4
146.05998	2.8
148.07542	3.5
150.05502	1.8
150.09097	1.0
152.07048	1.8
155.08530	0.9
157.10185	0.8
158.05962	0.9
158.09598	0.9
160.03915	2.4
162.05473	3.1
164.07069	1.0
166.08623	16.6
170.09676	3.5
171.09128	0.7
172.03920	32.1
172.07585	1.1
172.11223	1.5
173.04306	1.0
174.05527	1.5
174.09192	1.0
175.08627	1.2
183.06694	1.2
186.09195	1.0
187.08641	0.8
187.12279	5.0
190.04987	6.8
198.09122	22.4
200.09375	2.4
204.06544	43.1
205.06801	1.4
212.10774	5.1
213.10210	1.2
215.11777	20.2
225.10269	3.4
226.08673	6.1
227.08304	1.5
227.11777	2.7
228.08876	0.9
229.09740	0.9
229.13461	1.4
231.11394	0.9
237.10213	1.6
238.11005	1.1
239.11816	2.1
240.10281	3.3
241.09610	3.7
241.13457	1.2
242.10489	1.9
243.11269	100.0
244.11607	1.4
249.10216	2.0
251.11665	1.0
253.09692	2.2
255.11279	8.1
256.11868	1.4
257.12866	7.1
263.08301	1.0
263.11719	0.9
264.09094	0.9
265.09729	2.9
266.10529	1.3
267.08749	0.9
267.11258	3.4
269.09235	1.5
275.08148	0.8
279.11307	3.8
281.09073	0.8
283.10788	3.0
284.11597	2.0
285.12317	95.5
286.12741	2.8
287.10254	0.8
295.10617	1.1
297.08838	0.8
297.12286	1.9
298.13217	0.8
299.14120	0.8
301.11758	7.7
302.12561	1.0
303.13364	87.1
304.13721	1.6
305.11496	0.8
309.12308	1.8
311.10229	5.9
313.12009	1.1
315.09689	1.4
320.17615	0.8
320.66095	0.7
323.10318	1.6
325.11832	6.3
337.11813	0.8
339.09848	1.0
339.13498	0.8
343.12952	2.2
357.10449	1.0
357.14722	3.6
358.15344	2.1
359.12396	1.3
371.12308	13.2
373.13651	1.2
383.12503	2.3
384.13440	0.7
418.17291	1.3
426.15280	0.7
430.17545	1.0
449.19232	1.0
462.16492	3.5
463.16174	0.7
470.17026	1.5
474.16702	3.7
476.18057	1.3
488.17957	1.1
494.19003	2.1
518.19348	2.9
522.18707	2.8
536.20123	10.7
583.25568	4.1
592.14044	0.8
599.24963	1.8
601.55072	0.8
609.23395	1.9
623.24817	1.2
627.24512	5.8
641.25781	5.8
659.32886	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	658.358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01861	1.5
55.05506	5.0
56.05844	0.9
57.03423	1.0
57.07067	7.2
58.06581	2.5
58.92908	0.9
61.02899	1.0
65.03938	1.7
65.83439	0.9
67.05495	8.3
68.05843	1.1
69.07062	5.6
70.06590	20.9
71.08620	3.9
71.59436	1.9
72.08140	1.1
79.05490	6.4
81.03392	2.3
81.07056	9.9
83.08634	1.9
85.02907	2.0
85.10145	1.5
85.36462	1.1
88.07626	20.9
89.06021	0.9
91.03950	1.4
91.05489	5.5
93.07036	6.2
95.04958	3.2
95.08599	3.9
97.02888	1.8
97.06517	1.1
97.10177	2.4
102.09168	16.5
105.07024	6.0
107.04984	2.3
107.08592	4.2
108.08931	1.3
109.06535	2.1
109.10114	2.4
112.80264	1.1
113.38879	1.0
117.06996	2.8
119.08578	3.1
121.02883	1.4
121.06550	1.5
121.10145	2.2
123.08037	1.0
125.09597	1.2
125.49561	1.1
127.03965	1.0
129.07050	1.2
131.08536	2.4
133.10133	3.3
135.08006	1.2
135.11641	1.1
137.09590	1.1
143.08568	1.0
145.10094	2.0
147.11658	1.6
149.02333	42.9
149.03300	1.7
149.09596	2.3
157.10188	1.5
175.03931	1.9
175.77809	1.0
177.05333	1.1
192.93803	1.1
193.04950	50.4
200.71031	1.0
225.05457	1.2
227.12892	1.4
237.07550	12.8
256.26334	53.2
272.10791	1.0
273.18500	2.8
275.20248	3.4
276.20380	1.8
291.19623	4.8
292.19879	3.6
293.21176	1.3
297.04016	2.8
300.29059	1.1
313.07080	2.4
341.06509	10.5
349.23816	1.1
350.24039	2.0
359.07568	8.0
360.21216	1.1
365.14328	1.3
385.09186	21.1
429.11801	31.2
439.74997	1.1
640.42743	4.5
658.35693	100.0
658.81781	1.2
659.35968	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.01845	0.6
55.05508	0.4
55.29102	0.4
58.42755	0.4
61.02906	0.9
65.03891	0.4
67.05481	1.8
69.03416	0.7
69.07057	0.8
69.81580	1.8
69.81993	0.8
70.06571	1.3
70.36024	0.4
71.04910	0.4
73.02872	0.5
79.05470	1.2
81.03402	1.4
81.07027	1.0
82.06541	0.6
84.08091	0.4
85.02890	1.0
86.09681	0.8
89.03915	0.5
91.05444	1.3
93.05776	0.7
93.07024	1.6
94.06536	1.9
95.04971	0.5
95.07334	0.7
95.08595	0.9
96.08125	2.7
97.02883	0.7
97.06496	1.1
105.06993	0.7
106.06521	0.8
107.04947	2.1
108.04458	0.5
108.05260	0.4
108.08114	5.3
109.06469	0.5
109.10139	1.0
110.09661	3.8
116.04974	2.6
118.06538	0.5
120.04440	0.6
120.08090	4.2
122.06019	4.0
122.09625	0.5
124.07575	3.3
127.03908	0.5
127.40757	0.4
129.06941	0.4
129.73787	0.4
131.08562	0.4
132.04443	0.7
132.08038	0.4
134.05992	1.2
136.07571	5.6
137.08258	0.5
138.09113	5.6
143.08540	0.6
144.04425	5.1
144.08069	0.5
145.05049	0.4
146.06000	1.7
148.07545	1.3
149.09674	0.4
150.05498	1.3
150.09113	1.1
152.07083	0.5
155.07213	0.6
155.08502	0.8
157.10071	0.6
160.03908	1.4
160.07578	0.8
161.07092	0.7
162.05472	2.9
164.07117	0.7
166.08621	6.8
170.09616	4.1
172.03914	27.3
172.07552	0.8
172.09860	0.8
172.11192	1.1
173.04500	0.5
174.05573	0.7
175.08698	0.9
178.04909	0.5
183.06697	0.6
184.11205	1.1
186.09082	1.1
187.08717	0.5
187.12277	4.3
188.10786	0.6
189.10139	0.5
190.04971	5.0
198.09122	23.0
200.09171	2.3
200.10771	1.6
203.05479	0.4
204.06538	37.0
210.09183	0.6
211.08530	0.5
212.10757	4.0
213.10168	1.2
214.08727	0.5
215.11778	18.6
216.10149	0.5
225.10219	1.8
226.08649	6.2
226.10786	0.7
227.08084	0.7
227.11707	2.5
228.08879	0.9
229.09615	1.2
229.13348	1.0
231.11205	0.9
237.10286	0.6
239.11780	1.9
240.10451	2.2
241.09738	2.1
241.13341	1.3
242.10526	1.3
243.11266	100.0
244.11705	1.4
249.10210	0.8
251.11754	0.7
253.09637	0.6
255.11255	7.8
256.12091	0.9
257.12848	6.8
259.10742	1.6
265.09756	1.2
267.11340	1.2
269.09192	1.2
269.13217	0.6
279.08017	0.6
279.11258	1.1
281.12961	0.7
283.10776	1.4
284.11667	0.7
285.12308	89.7
286.12686	1.0
297.12280	1.2
301.11844	10.3
303.13358	79.5
304.13681	1.0
307.10623	0.6
309.12378	1.7
311.10193	0.5
311.13776	0.5
313.11792	1.4
315.05978	0.4
315.09784	1.0
319.12912	1.4
325.11673	4.8
327.13528	0.7
341.15195	0.5
343.13004	1.7
354.12320	0.5
357.14670	2.7
358.15302	1.4
359.16299	0.9
369.11847	0.5
370.15622	0.5
371.12302	1.5
386.14825	0.9
402.14612	0.5
413.17664	1.3
416.15814	0.8
418.17630	1.6
426.14789	0.9
428.15979	0.8
430.17337	0.7
434.17349	0.8
443.18835	0.7
446.17215	1.0
456.15417	0.9
458.16461	0.7
462.16629	3.1
474.16678	3.0
476.18076	0.7
486.16400	1.3
487.21497	0.9
494.18875	1.4
504.17368	1.6
506.19135	0.9
522.18958	0.7
536.20239	1.5
581.23529	0.7
583.25433	5.1
599.24921	2.8
609.23480	1.4
627.24481	7.4
631.27209	0.8
641.25464	2.4
659.33685	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	658.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01866	1.0
56.05042	0.5
65.29368	0.5
69.03431	0.8
69.57612	3.0
70.06591	4.7
72.08160	0.9
79.05480	3.1
84.04498	1.0
84.08151	2.2
85.02895	3.1
86.06058	1.0
86.09709	0.9
91.05469	0.7
95.04976	0.5
97.02901	0.8
103.05462	2.1
105.07033	25.4
107.04955	16.3
110.07154	0.7
115.05505	1.0
117.07043	0.7
127.03944	0.5
129.10268	1.1
131.04936	1.8
133.06493	100.0
134.06819	1.1
136.07622	0.8
145.06497	7.2
149.06009	0.9
157.06477	2.5
187.07547	1.2
221.12300	0.4
251.10687	3.5
263.10745	1.3
281.11798	1.8
299.12704	0.6
381.10965	0.5
461.17975	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01868	1.1
55.15497	0.3
56.05014	0.4
57.03440	0.4
57.56793	0.4
60.04523	0.4
61.02901	0.6
69.03411	1.2
70.06590	5.8
70.98708	0.9
72.08148	1.4
79.05489	3.0
81.03406	0.4
84.04485	1.2
84.08149	2.0
85.02902	5.7
86.06058	1.3
86.09695	1.2
91.05474	0.9
95.04948	1.1
97.02894	0.7
103.05466	3.5
105.07028	25.3
107.04952	26.3
109.02882	0.6
110.07160	1.2
115.05495	1.0
117.07003	1.1
119.04956	0.7
120.08109	0.6
121.06498	1.4
127.03907	1.4
129.06996	1.0
129.10190	0.9
131.04909	3.1
133.06488	100.0
134.06815	1.1
136.07559	0.8
145.04901	0.8
145.05127	0.8
145.06480	13.7
149.05972	2.1
157.06477	4.1
168.06738	0.4
169.06467	0.7
175.07623	0.5
184.07362	0.5
187.07486	1.9
213.12112	0.6
223.07526	0.6
244.54932	0.4
251.10680	6.8
263.10641	2.2
265.11472	0.4
281.11792	3.2
299.12762	0.9
378.02121	0.4
443.17206	0.7
446.26730	0.4
461.18286	2.2
523.31348	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.7
53.03924	3.9
55.01870	20.9
55.05261	2.1
55.05507	29.5
56.41721	1.0
57.03428	6.5
57.07069	2.8
59.04998	1.6
65.03939	3.2
65.66754	1.0
67.05504	51.0
69.03429	8.2
69.07067	35.2
69.07448	1.9
69.58041	5.0
69.58466	3.7
71.04986	4.9
79.05489	50.6
80.05840	1.4
81.03419	6.9
81.07053	53.8
83.04980	10.0
83.08621	12.9
85.06541	5.4
87.04474	5.5
89.06030	35.5
90.06353	7.0
91.05479	50.4
91.06357	1.6
91.44573	1.3
92.05803	2.0
93.07041	43.8
94.04167	1.5
95.01386	1.3
95.04964	19.1
95.08601	26.5
97.02899	6.1
97.06530	22.6
97.10162	16.9
103.05451	5.2
105.07025	100.0
106.07367	22.9
106.88209	1.1
107.04950	18.3
107.07045	2.4
107.07794	2.0
107.08591	31.9
109.06522	11.0
109.10149	14.9
111.04407	1.5
111.08072	5.8
113.05994	3.5
113.09653	1.4
115.05410	1.9
116.06213	1.3
117.07011	14.4
119.04943	2.6
119.08582	28.9
120.08924	2.1
121.06496	18.7
121.10141	13.8
122.06818	5.0
123.04350	2.0
123.08067	7.0
123.11698	3.6
125.09632	16.5
128.06212	3.0
129.06996	8.9
131.07079	1.7
131.08563	21.7
132.08925	2.1
133.06470	4.1
133.08603	18.0
133.10117	16.5
134.07256	2.0
134.08920	5.4
135.08025	8.7
135.09036	3.0
135.11674	5.8
137.09601	5.2
141.07007	2.8
142.07805	2.0
143.08556	8.4
145.06503	3.2
145.10118	20.2
147.08038	17.7
147.11687	13.4
148.08372	8.1
149.08534	1.9
149.09612	18.9
149.13235	3.2
150.09984	1.3
151.11224	3.0
153.09135	2.9
155.08528	4.2
157.10130	8.6
159.08171	1.4
159.11691	12.1
161.09616	5.0
161.13225	3.8
163.11194	9.5
165.09081	8.0
165.12766	1.2
169.10086	3.8
169.12247	1.5
171.10262	2.0
171.11656	6.0
173.11807	2.0
173.13257	5.3
175.11194	4.5
175.14813	1.5
177.11172	3.9
177.12727	4.9
178.11557	1.4
179.14386	3.9
181.10249	1.2
183.11722	3.9
185.13165	1.8
187.11198	3.0
187.13226	2.3
189.11227	8.3
189.12715	2.1
195.11693	2.1
197.13190	3.0
199.11224	1.5
199.14832	1.3
211.14867	1.4
217.15887	1.8
219.17447	1.3
223.11206	2.2
223.13231	12.1
224.11539	1.7
225.12691	3.9
226.13089	4.3
227.12772	17.6
227.17921	2.5
229.19524	1.8
234.62457	1.2
239.17908	3.2
245.19174	2.0
247.20531	2.5
249.14845	2.6
255.17558	1.2
257.19046	8.3
261.18567	1.3
268.30093	1.3
273.18463	19.5
275.20065	48.4
291.19528	86.0
293.21082	4.5
311.22067	1.2
331.22696	1.6
347.22159	2.7
349.23718	26.1
352.82614	1.3
365.23276	24.5
461.28711	1.5
535.32440	1.6
541.35120	1.9
543.36792	1.7
547.38751	1.4
551.46735	4.8
559.36285	3.2
621.41577	2.2
639.42517	46.2
657.43677	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	657.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.9
53.03938	7.5
55.01861	4.8
55.05514	15.9
57.03441	23.2
57.07065	2.7
61.02928	89.1
65.03951	1.8
67.05512	33.9
69.03430	39.5
69.07066	11.6
70.06594	4.1
71.01339	3.6
71.04993	7.4
71.59389	2.7
71.59753	1.9
73.00304	2.0
73.02924	31.1
75.04484	2.2
79.05064	3.3
79.05492	42.0
81.03410	28.1
81.07059	36.9
83.04974	6.3
83.08602	6.2
84.08138	2.4
85.02906	100.0
85.06532	4.6
86.09675	3.3
91.03960	58.1
91.05482	46.0
93.07045	46.5
95.04947	9.6
95.08609	25.9
97.02289	4.0
97.02893	76.2
97.06512	4.7
97.10159	3.2
99.04450	14.0
101.02379	9.9
103.03924	8.8
103.05429	4.2
105.07030	50.7
107.04952	11.3
107.08596	29.7
109.02872	11.2
109.06510	6.1
109.10139	8.4
111.04408	5.2
111.08033	2.8
115.03905	7.4
115.05450	3.7
117.07005	23.2
119.08582	31.3
121.06496	3.3
121.10162	17.9
123.08057	2.3
127.03911	30.2
128.06168	2.6
129.05476	4.7
129.07007	14.5
131.08572	27.3
133.10126	24.4
135.08090	3.6
135.11700	14.5
138.28133	1.9
141.06985	6.2
142.07759	5.1
143.08603	13.0
145.04951	22.2
145.06502	4.0
145.10130	24.2
147.07933	2.5
147.11705	19.9
149.13248	5.8
153.07108	2.1
155.08540	3.8
157.06612	2.4
157.10126	16.7
159.11714	21.4
161.09613	2.8
161.13268	14.4
163.06059	3.9
163.11165	3.5
165.09164	2.2
169.10107	8.5
171.07991	2.9
171.11710	14.2
173.09604	3.9
173.13234	14.2
175.14836	5.3
177.09077	2.3
179.08641	2.4
181.10129	3.6
182.07353	2.2
183.08112	2.1
183.11699	6.3
185.09610	2.8
185.13217	9.2
187.14839	4.1
189.12817	3.0
193.10336	2.5
195.11740	4.3
197.13274	3.7
199.14828	6.2
201.07486	3.1
205.12260	2.2
209.13258	3.1
213.12726	2.6
213.16374	2.4
227.14301	2.5
241.19510	8.2
257.18979	3.3
259.20596	21.2
267.21179	2.0
271.20502	4.6
275.20132	4.5
277.21716	4.5
283.20599	2.3
291.19577	2.6
301.21616	8.1
309.15887	2.2
313.21466	5.8
315.23184	5.0
325.21567	3.7
333.24213	33.9
339.23279	4.3
349.16473	2.7
349.21738	4.7
351.25262	2.7
361.23456	3.3
363.25372	4.2
367.22629	8.8
375.25299	4.1
385.23792	4.4
387.25430	2.9
417.26248	3.1
441.26114	13.2
459.27411	9.3
477.28180	13.7
495.29764	10.7
512.71332	2.5
603.31445	2.3
657.34290	10.6
657.43774	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	657.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.01868	2.0
57.03429	1.1
61.02917	0.9
68.81467	0.1
68.99779	1.0
69.03425	6.9
70.06597	0.7
71.01311	0.2
71.04987	0.8
71.59740	0.1
73.02911	1.5
73.04257	0.1
79.91469	0.1
81.03409	9.3
81.06477	0.1
81.07006	0.2
82.06518	0.1
83.01316	0.2
84.04470	0.1
84.08053	0.1
85.02896	10.6
86.09667	0.3
87.00822	5.0
87.04419	0.2
91.03905	0.6
91.05473	0.2
93.03380	0.1
93.31695	0.1
95.04995	0.2
97.02887	3.8
99.03841	0.2
99.04438	2.7
101.02346	0.2
105.01194	0.1
105.01859	2.7
107.01314	0.7
107.04945	0.6
109.02869	6.6
112.08698	0.1
115.03896	0.3
115.05394	0.2
117.01830	1.2
120.08095	0.2
121.02831	0.4
123.00785	0.2
123.04420	0.1
127.03905	9.2
129.01823	0.8
129.06898	0.1
129.10208	0.2
131.04871	0.3
137.02319	7.2
141.01785	0.5
142.25052	0.1
144.51443	0.2
145.03903	0.2
145.04953	2.7
145.06160	0.2
147.02844	0.7
147.04366	0.2
149.02333	0.4
149.05942	0.3
151.03864	0.2
157.06439	0.2
159.02876	4.0
161.05925	0.3
163.03940	1.1
165.00539	0.1
165.01813	2.7
167.04843	0.1
171.04387	0.5
173.05879	0.1
177.01759	0.2
177.03951	0.1
179.03455	0.2
183.01311	0.2
183.02884	1.6
183.04422	0.1
185.05908	0.5
187.03900	0.7
189.03896	0.2
189.05458	2.2
195.04367	0.1
197.05957	0.2
199.03922	0.7
204.06517	0.2
207.15413	0.1
213.03925	0.3
213.05566	1.1
215.03400	0.1
217.04959	1.6
219.02820	0.1
223.04013	0.2
227.03400	0.4
231.04791	0.9
231.06932	0.2
241.04968	1.2
245.04448	3.6
259.05963	1.0
269.04318	0.6
273.03845	0.2
287.05502	1.0
303.04803	0.3
304.47369	0.1
315.04938	70.2
316.05261	1.9
316.08609	0.2
345.06122	0.2
357.05649	0.3
367.21942	0.3
409.09134	100.0
410.04187	0.2
410.09515	4.0
427.14111	0.1
433.09344	0.1
451.10120	0.4
475.10315	0.2
517.11292	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	0.7
55.01859	1.5
57.03386	0.9
59.04958	0.2
61.02890	0.3
68.99763	0.4
69.03419	5.9
70.06583	1.0
71.01315	0.3
71.04681	0.2
71.04995	0.3
73.02888	0.4
79.01796	0.2
81.03407	5.4
83.01310	0.4
84.08106	0.3
85.02893	6.7
86.09676	0.3
87.00819	4.1
87.04424	0.6
95.04913	0.3
97.02879	10.2
99.04449	2.1
101.02379	0.3
105.01839	1.9
107.01315	1.0
107.04936	1.1
109.02849	2.0
121.02802	0.6
123.04362	0.3
127.03896	6.8
129.06912	0.2
131.04863	0.4
137.02322	8.5
137.03372	0.4
141.01718	0.3
143.04887	0.2
145.04927	1.8
149.02278	0.5
149.05957	0.3
157.06430	0.2
159.02856	0.5
161.05875	0.5
163.03870	1.4
165.01825	3.2
171.04420	0.5
173.05962	0.3
183.02876	2.2
185.05920	0.5
187.03867	0.7
189.05458	3.1
189.07060	0.4
195.02840	0.2
199.03853	0.4
213.05344	1.0
215.03159	0.2
217.04980	1.6
227.03337	0.7
231.04826	1.5
234.44391	0.2
241.04907	1.3
245.04427	4.3
259.06030	1.1
269.04413	0.9
273.04053	0.5
287.05472	1.0
297.03952	0.5
303.04922	0.7
315.04929	78.3
316.05194	1.3
327.05148	0.2
383.12192	0.3
409.09125	100.0
410.09470	1.9
524.86884	0.2
657.25616	0.3
657.36957	0.2
660.96155	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01620	0.1
55.01871	2.1
57.03435	1.1
61.02924	1.1
61.07194	0.1
68.54371	0.1
68.99779	1.0
69.03424	6.3
69.47055	0.7
70.06586	0.2
71.01354	0.2
71.04988	0.9
73.02913	1.7
75.63247	0.1
81.03411	8.3
83.01350	0.3
83.04944	0.1
85.02898	10.8
86.03226	0.1
86.09709	0.1
87.00822	5.1
87.04453	0.4
89.06022	0.7
91.03965	0.6
95.04973	0.2
97.02885	3.9
99.04445	2.3
101.02343	0.2
103.03945	0.1
103.56895	0.1
105.01857	2.9
105.02561	0.2
107.04959	0.2
109.02872	6.5
115.03908	0.1
117.01828	1.1
121.02883	0.2
123.00906	0.2
123.04432	0.3
127.03906	8.4
129.01814	1.0
131.04956	0.2
133.08604	0.4
137.02330	4.8
137.03343	0.2
139.03932	0.1
141.01820	3.2
143.04944	0.1
145.04948	2.4
147.02881	0.6
149.02303	0.3
151.02632	0.1
151.03836	0.4
157.06531	0.1
159.02878	3.9
161.06061	0.1
163.03888	1.2
165.01820	1.9
171.04387	0.2
173.06161	0.1
177.01859	0.1
177.03908	0.2
177.11243	0.2
179.03429	0.1
183.02866	2.4
185.05966	0.3
187.03931	0.4
189.03868	0.1
189.05426	0.1
199.03888	0.2
213.03839	0.2
213.05493	0.8
217.04926	0.6
231.04819	1.0
241.04941	1.5
259.05969	0.7
269.04437	0.3
287.05414	0.7
297.04086	0.1
303.04916	0.2
314.04010	0.2
315.04944	100.0
316.05249	2.1
327.04785	0.1
357.05942	0.2
409.09149	24.7
410.09445	0.7
437.65082	0.1
666.49084	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	655.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	6.1
57.03439	6.5
57.07076	49.5
61.02923	13.7
62.32852	1.3
63.18211	1.2
67.05505	13.5
69.03438	1.8
69.07076	9.4
71.04993	1.5
71.08635	37.3
73.02901	4.8
75.04469	1.9
79.05472	1.8
81.07054	19.6
83.08619	13.4
85.02908	13.4
85.10181	19.3
89.06039	2.5
91.03954	14.3
91.05491	1.6
95.08057	2.2
95.08613	25.8
97.02893	5.3
97.10175	8.1
99.04475	1.8
99.11750	1.7
105.07019	4.9
107.04999	2.0
109.10174	13.3
111.11729	2.7
117.07000	1.3
123.11726	4.4
124.95746	1.0
125.13255	1.7
127.03926	3.9
137.13289	2.5
145.04980	7.5
151.14844	1.2
163.06007	10.4
221.22565	1.4
239.23697	32.0
257.24734	4.2
275.25989	1.5
313.27374	100.0
331.28461	14.8
364.97855	1.3
395.91992	1.3
440.89297	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	57.2
57.91725	17.3
65.34749	17.4
67.05491	76.5
69.07063	38.4
69.35542	100.0
69.35977	92.1
71.08627	32.1
75.87650	23.7
79.05497	53.3
81.07068	54.2
83.08634	20.4
91.05476	35.3
93.07029	31.1
95.04967	28.9
95.08604	47.0
97.06528	91.6
98.20712	34.2
99.77486	20.8
103.26207	19.4
105.07068	32.9
115.07573	32.2
130.62563	19.2
178.58748	19.8
252.99292	20.4
279.65518	21.8
313.27402	97.8
507.40366	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01867	2.5
57.03433	1.1
61.02908	1.0
68.99782	1.2
69.03419	7.9
70.78934	0.5
70.79305	0.2
71.01310	0.2
71.04977	1.0
73.02911	1.9
75.79089	0.2
81.03407	9.4
82.31882	0.1
83.01260	0.2
85.02895	11.2
85.64816	0.1
87.00819	5.6
87.04414	0.2
91.03908	0.5
93.03330	0.2
97.02290	0.2
97.02877	4.5
99.03850	0.2
99.04441	2.8
105.01186	0.2
105.01846	2.8
107.01297	1.0
107.04917	0.4
109.02135	0.4
109.02863	8.2
113.55852	0.2
117.01855	1.3
121.02835	0.4
127.03904	9.5
129.01813	1.0
129.86276	0.1
131.04880	0.3
131.68625	0.2
135.04388	0.2
137.02322	7.5
137.03368	0.4
141.01802	0.3
145.03886	0.3
145.04944	3.1
147.02800	0.5
149.02281	0.6
151.03906	0.2
157.06436	0.2
159.02861	4.2
161.05894	0.3
163.03914	1.0
163.38885	0.2
165.01813	2.7
171.04321	0.5
173.05965	0.2
177.01724	0.2
179.03427	0.3
183.02902	1.5
185.05896	0.4
187.03874	0.4
189.05452	2.8
191.03145	0.2
197.05806	0.2
199.03835	0.6
213.03723	0.2
213.05504	1.1
215.03271	0.2
217.04929	1.8
219.02681	0.2
227.03319	0.4
231.04768	0.9
241.04948	1.2
245.04419	4.3
259.06006	1.1
269.04398	0.6
273.04034	0.3
287.05429	1.2
297.03833	0.3
303.05045	0.4
315.04929	77.4
316.05258	1.4
345.06085	0.2
409.09125	100.0
410.09497	2.4
451.10074	0.3
475.10309	0.2
561.34521	0.2
570.35657	0.2
654.62134	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	0.2
50.35070	0.2
51.02387	0.6
53.03942	1.1
55.01862	0.4
58.64060	0.2
59.04988	0.5
65.03934	0.3
67.05507	0.7
69.07049	0.5
69.48520	2.0
73.02888	0.4
73.06561	1.2
77.03915	0.4
79.05051	0.4
79.05488	6.0
81.07055	0.7
87.04462	5.7
87.04958	0.4
89.06025	44.9
91.05472	8.0
93.07036	3.6
95.04961	3.4
95.08577	0.3
97.10132	0.2
102.04690	0.2
103.05463	7.0
105.07023	100.0
106.07375	1.2
107.04977	1.8
107.07057	1.6
107.08596	0.3
109.06499	0.3
109.43268	0.2
115.05416	0.3
116.06245	0.4
117.07006	1.5
117.09119	0.6
119.04932	1.7
119.08569	4.3
120.29257	0.2
121.06496	21.5
122.06770	0.3
128.06197	0.9
129.06984	3.0
130.08606	1.4
131.07039	1.9
131.08553	6.8
132.05713	0.7
133.08594	26.2
133.10181	0.9
135.08028	0.7
136.32953	0.2
145.06493	1.3
145.10133	0.3
147.08037	26.0
149.09607	5.0
163.11157	0.5
165.07010	0.6
165.09090	3.2
165.89291	0.2
166.07733	0.3
169.29343	0.2
173.09607	0.7
175.09630	0.9
177.11212	6.6
178.07838	0.2
179.08534	0.5
181.10124	1.5
191.10648	0.6
193.12189	0.7
197.09557	0.3
209.11684	1.8
209.13377	0.5
221.13702	0.7
223.11156	2.1
225.12715	12.1
249.12741	2.1
251.14336	2.3
267.13821	0.3
269.15350	4.1
275.19910	0.3
279.43829	0.3
283.17310	0.4
313.17819	0.7
315.18164	0.3
329.18774	0.3
359.20578	0.6
373.21616	2.0
376.75272	0.3
447.25665	1.0
519.89355	0.3
655.41211	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75130	0.2
53.03953	0.3
54.49366	0.2
55.05502	1.1
55.23383	0.2
57.07067	0.9
57.54254	0.3
63.05559	0.2
67.05511	1.0
69.07056	0.5
70.10202	0.2
77.39729	0.2
79.05483	0.8
81.07048	0.9
83.04979	2.7
83.08634	0.3
89.06030	1.1
91.05492	1.3
93.07029	0.5
95.04974	0.6
95.08591	0.6
98.18736	0.2
99.04488	0.3
105.07030	4.4
106.07391	0.3
107.04975	0.4
107.08601	0.4
119.08588	0.7
121.06521	0.4
121.10179	0.3
129.07008	0.5
131.08540	0.4
133.08618	0.3
133.10103	0.3
135.08052	0.4
141.06992	0.4
145.10126	0.4
147.07997	0.3
147.11700	0.6
149.09581	0.3
175.01599	1.6
181.02573	2.1
192.47685	0.3
227.04752	0.5
228.53743	0.3
257.06042	0.3
269.02582	0.3
273.18488	0.4
283.10657	0.3
289.18240	0.3
291.19571	1.1
313.12057	1.0
369.18085	0.5
381.86011	0.3
482.15076	0.3
543.19147	1.0
549.24927	0.5
599.25214	2.4
655.38220	100.0
656.38916	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.3
53.03941	1.3
53.07134	0.3
53.36294	0.3
55.01858	0.4
55.05505	0.4
57.03413	0.3
62.47229	0.3
67.05500	1.1
67.42231	0.3
69.07056	0.5
69.18142	0.3
69.28150	0.3
69.55205	2.2
69.55618	0.6
73.06544	0.9
77.03944	0.6
77.17876	0.3
79.05492	5.8
81.07050	1.1
87.04464	6.3
89.06026	46.0
91.05474	8.2
93.07035	3.4
95.04966	3.4
95.08581	0.6
103.05457	5.6
105.07024	100.0
106.07386	0.6
107.04958	2.2
107.07059	1.7
107.08584	0.6
109.06531	0.5
113.06084	0.4
115.05494	0.3
116.06238	0.5
117.07010	1.7
117.09141	0.4
119.04951	2.1
119.08575	4.3
121.06498	20.7
128.06244	0.5
129.07008	3.2
130.08633	1.3
130.16524	0.3
131.07063	1.6
131.08560	6.5
132.05696	0.5
133.08595	28.3
133.10181	1.0
135.08057	1.1
145.06487	1.2
147.08037	25.5
149.09615	6.7
163.11255	0.6
165.09106	4.3
166.07780	0.4
169.61983	0.3
173.09589	0.8
175.09714	0.7
175.11206	0.4
177.11227	7.2
177.12682	0.7
179.08606	0.3
181.10101	0.9
191.10704	0.5
192.09221	0.4
193.12299	0.7
208.08727	0.5
209.11664	1.9
221.13737	0.7
223.11195	2.3
225.12727	13.0
225.14948	0.7
227.12833	0.5
249.12691	2.6
251.14337	2.2
269.15366	4.5
273.18552	0.5
277.15982	0.3
291.19452	0.5
313.17987	0.7
373.21606	2.0
413.20596	0.5
447.25595	1.1
551.31866	0.6
590.69281	0.4
637.41278	0.5
655.41321	0.7
655.51758	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	1.9
56.96564	42.6
57.03449	1.1
60.45401	0.7
67.05493	1.6
69.03416	1.7
69.74594	0.9
70.06578	1.4
71.59604	1.1
71.95255	2.5
74.97592	1.0
79.05520	1.2
81.03378	1.3
83.08637	1.1
84.22538	1.0
84.96015	2.8
85.02906	3.0
86.09713	1.4
93.07050	2.1
95.08578	2.1
97.02884	1.0
105.07046	1.6
105.20673	0.7
107.05000	1.3
107.08614	1.0
109.10166	2.4
115.91499	0.7
119.08564	1.6
120.08078	0.8
123.01189	1.0
127.03881	0.8
128.98608	1.9
133.01712	1.1
137.63611	0.8
146.99643	5.4
147.03302	2.7
155.03778	1.2
158.14926	0.9
159.03278	1.3
165.04361	0.9
167.83687	0.9
169.01736	1.0
171.03232	1.1
183.03293	1.4
185.04826	2.0
187.02747	2.4
189.04317	2.0
191.03783	1.0
191.05945	1.1
193.05424	1.8
195.03345	0.9
199.06502	1.9
201.04501	2.1
203.01151	0.9
203.05933	3.5
204.00105	0.9
205.05399	1.8
207.06935	2.0
209.04857	0.9
211.06488	1.8
213.07982	1.8
215.05856	1.6
217.05544	0.9
217.07481	3.4
219.06937	1.2
221.04910	1.4
221.08583	1.9
223.06427	2.3
229.07472	2.6
231.09076	3.8
235.06511	1.2
237.07941	1.3
241.07515	1.2
241.10701	1.5
245.08519	1.5
247.08559	0.9
249.08182	1.0
251.09517	1.4
255.09203	1.3
263.09561	6.5
267.09250	1.0
269.10541	3.8
273.11673	1.7
275.09561	3.8
277.11145	1.1
281.10638	2.9
283.13708	1.1
286.10904	1.1
289.11084	5.2
291.12650	6.1
293.10727	2.4
301.14722	2.5
305.10556	1.0
307.12253	1.8
309.13715	2.7
329.10275	1.3
329.14221	46.8
347.15308	100.0
348.15591	2.8
352.15921	1.3
365.16351	40.7
366.16269	1.4
370.16907	13.1
383.17349	12.1
388.18091	5.9
398.45724	0.9
406.18954	1.4
457.29681	1.3
515.21173	0.9
619.33148	11.2
637.34241	13.4
655.35333	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	655.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01872	1.3
57.03424	0.7
61.02918	0.7
65.03899	0.4
67.05501	0.8
68.99770	0.7
69.03424	4.9
70.06561	0.3
70.80187	0.5
71.04948	0.6
73.02914	0.9
79.05441	0.6
81.03407	6.4
81.07018	0.4
83.01292	0.2
85.02895	8.0
87.00817	4.0
87.04409	0.3
91.03897	0.4
91.05427	0.5
93.07007	0.3
95.04928	0.4
95.08572	0.3
97.02296	0.2
97.02879	3.0
98.21393	0.2
99.03915	0.2
99.04440	1.6
101.02325	0.2
105.01849	2.3
105.06976	0.2
107.04948	1.6
107.08527	0.3
109.02866	4.9
109.10101	0.3
111.04398	0.4
113.05831	0.1
117.01846	0.8
119.08555	0.2
121.02854	8.7
121.10116	0.2
122.03593	0.4
127.03905	6.2
128.06209	0.2
129.01778	0.6
133.06429	0.1
133.10078	0.3
135.04341	0.3
135.11581	0.2
135.93843	0.1
143.08513	0.3
145.04060	0.1
145.04948	1.6
145.06058	0.2
147.02832	0.5
147.04359	0.3
147.11632	0.2
149.02319	1.2
151.03851	0.2
153.06921	0.2
159.02895	2.7
163.03813	0.4
167.03372	0.7
171.08044	0.8
173.05925	0.2
175.07275	0.1
179.03386	1.6
181.06435	0.8
181.12059	0.1
184.05185	0.2
197.04381	0.8
197.05957	0.4
198.06705	0.1
199.07538	0.8
199.12326	0.2
209.05986	0.2
211.07413	0.2
213.05519	0.4
214.06125	0.4
224.04637	0.2
225.05403	0.1
227.07002	1.1
229.04922	0.3
229.08670	0.3
231.04951	0.6
239.06947	0.3
241.04909	0.2
255.06387	0.8
257.04462	0.3
257.08023	1.2
258.05209	0.2
265.09976	0.2
267.16006	0.3
269.04153	0.2
270.05283	0.7
271.05939	0.1
283.05972	7.7
285.07513	0.4
286.04623	0.4
298.04694	0.2
299.05484	0.5
301.07010	2.5
313.07013	28.8
314.07291	0.7
343.07947	0.3
345.07370	0.2
363.08490	0.2
375.08444	1.9
391.08008	2.2
392.08868	1.0
407.11200	100.0
408.11536	2.1
429.18710	0.2
536.27313	0.2
655.34949	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01867	1.7
55.05496	1.1
57.03421	1.6
59.04980	0.4
61.02913	1.2
65.03930	0.2
67.05496	3.6
68.64074	0.2
68.99769	0.7
69.01381	0.2
69.03078	0.4
69.03425	6.4
69.03802	0.4
69.07047	0.9
70.04058	0.4
70.06570	0.8
71.04986	1.3
71.59781	0.3
72.08149	0.3
73.02910	1.8
73.11837	0.2
79.05495	2.0
81.03411	8.8
81.07042	2.6
83.04974	0.6
83.08607	0.7
84.08132	0.3
85.02895	9.2
87.00822	4.2
89.06019	0.5
91.03947	0.5
91.05460	1.9
93.07050	2.0
95.04977	1.4
95.08581	1.3
97.02885	4.0
97.06509	0.3
97.10147	0.4
99.04448	2.6
101.02339	0.3
103.05492	0.3
105.01859	2.5
105.03365	0.5
105.07023	1.3
107.04942	2.0
107.08588	1.1
109.02866	6.2
109.06499	0.3
109.10126	1.5
111.04411	0.3
115.03934	0.3
117.01859	0.7
117.06991	0.6
119.08568	0.8
120.08953	0.2
121.02853	5.4
121.06500	0.5
121.09307	0.2
121.10108	0.6
125.09647	0.3
127.03905	7.9
128.06151	0.5
129.01820	0.8
129.06979	0.4
131.08553	1.0
133.10109	0.8
135.04361	0.4
135.08134	0.4
135.11681	0.6
139.03864	0.6
143.08572	0.5
145.04935	2.3
145.06093	0.4
145.06332	0.3
145.10114	0.5
147.02823	0.2
147.11658	0.6
149.01239	0.3
149.02298	1.8
149.09639	0.3
152.06311	0.3
153.06953	0.8
157.10023	0.4
159.02887	3.6
163.03818	0.5
163.11176	0.7
165.07042	0.3
167.03406	0.3
171.08067	1.7
171.11661	0.3
173.04501	0.3
175.11230	0.4
181.06429	1.6
184.05132	0.4
187.59251	0.3
189.11296	0.3
193.12199	0.7
199.07520	1.6
209.05946	0.3
209.11797	0.4
211.13196	0.6
216.91225	0.2
227.07013	2.9
227.12802	0.5
229.14359	0.6
230.00142	0.3
231.05008	0.9
241.08638	0.3
242.05731	0.5
249.12566	0.2
255.06418	1.3
267.15961	0.7
270.05118	1.4
283.05978	21.7
284.06284	0.4
285.07516	0.3
285.10333	0.3
297.03711	0.3
298.04712	3.9
301.07187	0.3
313.07019	100.0
314.07379	1.5
340.15607	0.3
407.11237	25.3
408.11722	0.3
429.19342	0.4
437.28958	0.3
475.26593	0.4
493.27551	0.4
508.05557	0.3
655.31927	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.3
55.05513	0.4
56.05396	0.3
56.05861	0.3
56.96546	0.3
61.02919	0.3
67.05506	1.5
69.03423	0.3
70.04060	0.3
70.06582	0.7
71.04998	0.7
72.08164	0.2
72.12154	0.3
79.05486	1.0
81.03422	1.0
81.07046	0.8
83.04977	0.3
83.08621	0.3
84.08172	0.3
85.02917	0.9
91.03928	0.4
91.05486	1.1
93.07050	1.2
95.04970	0.4
95.08614	0.7
97.02898	0.5
97.06523	0.4
98.21516	0.7
105.07036	0.9
107.04954	1.9
107.08596	0.6
109.10172	0.6
114.31619	0.3
117.06990	0.3
119.08606	0.8
120.08117	0.3
121.06527	0.5
131.08606	0.5
135.11713	0.5
141.05247	0.4
145.10033	0.4
149.05956	0.3
161.13310	0.3
169.04697	0.4
184.07500	0.4
185.04300	0.8
186.69691	0.3
221.05074	0.7
269.73114	0.3
283.15555	0.3
284.15793	0.4
313.08981	0.6
331.09897	1.6
347.09494	1.8
349.11292	0.3
419.23633	1.0
456.26834	0.3
496.17398	0.3
502.85349	0.3
507.28839	3.0
565.29742	2.5
567.27716	1.2
574.77271	0.3
635.33887	1.0
653.35010	100.0
654.35101	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54871	0.5
53.03939	0.5
55.93498	0.6
56.40138	0.5
66.55757	0.5
69.03411	1.7
69.48495	4.9
70.06570	1.3
72.08143	0.8
72.93775	3.0
81.03404	1.5
85.02887	3.4
87.95851	0.5
88.96875	0.6
89.07098	0.7
90.05542	0.6
90.94819	1.8
91.05043	1.4
97.02879	3.5
101.29990	0.6
107.04943	15.9
108.05278	2.1
108.95838	0.8
121.02859	2.0
127.03885	1.0
130.97847	0.7
132.95802	3.8
134.97423	1.1
139.18283	0.5
140.96239	0.6
144.95836	2.0
145.05040	0.7
146.97394	0.6
147.04408	0.8
150.96872	1.7
158.97441	3.6
162.96837	1.9
166.97876	0.8
168.95787	2.9
170.97305	0.8
174.96872	1.5
176.98444	3.0
178.97835	1.5
186.96811	3.6
188.98433	1.1
192.95908	1.7
194.97346	6.4
196.98894	1.0
198.96893	3.5
200.98396	1.2
210.96873	16.5
211.84335	0.6
212.98436	10.0
216.97929	2.2
217.99443	0.5
220.95139	1.1
228.97920	20.1
232.98984	0.7
233.98579	1.1
234.96867	0.8
234.98973	9.6
238.96407	2.6
244.98924	0.8
246.96840	3.0
252.97914	27.9
253.98259	0.8
256.97391	1.0
260.98361	1.4
264.97983	4.6
270.99054	1.8
276.97717	7.4
278.99496	12.4
282.98941	3.2
286.99976	1.1
288.97791	5.6
289.00504	0.8
294.98846	2.7
305.01013	0.8
306.99020	1.3
312.97809	7.2
313.00607	0.5
318.98950	1.8
330.98785	3.7
336.99963	9.4
354.01221	1.3
355.01074	100.0
356.01453	2.5
378.02655	1.4
379.03342	4.0
396.03818	0.8
485.07068	1.0
656.67389	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	10.8
57.07065	4.4
59.04994	2.8
64.95721	1.4
67.05508	11.2
69.03422	2.3
69.07056	9.1
70.06597	8.0
71.04974	1.5
71.08630	2.9
71.59121	2.0
72.08134	1.4
79.05490	8.2
79.12244	1.2
81.07061	42.3
83.08601	5.6
84.04481	1.8
84.08125	3.4
85.02892	4.9
86.09702	6.3
91.05452	7.5
93.07045	15.6
95.04941	3.4
95.08607	33.6
97.06510	3.2
97.10181	7.0
105.07045	9.0
107.04954	6.9
107.08604	9.7
109.02855	1.4
109.06519	4.8
109.10174	15.7
111.97932	1.2
115.14159	1.3
117.07019	3.2
119.08592	6.5
120.08150	2.8
121.06474	6.3
121.10142	4.7
123.08041	2.3
123.11691	3.9
129.07034	1.9
129.10213	1.9
131.08565	6.1
133.10138	4.1
135.08063	12.0
135.11702	2.5
137.09526	1.4
137.13261	18.0
143.08551	3.7
145.06474	3.6
145.10118	5.5
147.08054	5.8
147.11665	3.1
149.13246	2.6
151.11150	1.4
151.14813	2.6
152.70514	1.6
153.09163	1.8
155.08488	2.6
157.10072	2.1
159.08070	14.1
159.11754	3.8
161.05891	1.6
161.09579	6.2
163.07541	1.9
165.16434	3.1
169.10146	1.5
171.08054	3.4
171.11725	2.8
173.05934	1.9
173.09641	5.5
173.13220	6.7
179.08615	1.7
181.10124	4.7
182.11031	1.4
184.07298	2.3
185.09550	4.9
185.13266	1.6
187.07506	8.3
187.11145	2.9
189.09094	8.9
191.07043	3.9
191.14246	2.2
193.10077	2.6
195.11742	4.2
197.13177	2.0
199.11240	4.0
199.14845	1.7
201.09036	1.9
201.12767	8.6
205.08557	4.5
209.13312	4.2
211.11290	1.9
213.12718	2.8
214.12941	1.6
215.10777	1.7
215.14371	2.5
219.13799	1.5
221.35535	1.4
222.14047	2.3
223.11192	3.3
227.10704	1.6
227.14275	2.7
233.15373	2.5
237.16432	8.2
241.15962	1.6
243.13861	2.0
244.14265	1.5
245.15541	3.0
247.16995	3.2
253.16185	1.7
255.13786	4.5
255.17314	1.7
257.15329	2.3
259.17020	8.1
263.14209	2.0
265.16028	1.6
273.14835	11.9
273.18076	2.2
273.24753	1.5
279.15784	1.9
281.15366	7.9
283.16855	2.2
285.18552	1.7
291.15759	2.1
299.16437	14.8
300.16885	2.1
301.17978	33.8
307.20465	1.5
311.20172	3.2
317.17487	87.1
318.17627	2.3
321.18359	1.4
325.21487	2.1
327.19302	1.9
341.21219	2.1
345.20883	2.1
353.21127	5.4
371.22073	3.8
397.27405	2.4
399.27399	1.5
419.29276	8.5
437.30508	39.0
438.30630	1.9
455.31564	100.0
456.31665	2.8
473.32669	59.3
570.15802	1.6
583.10773	1.4
652.37677	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.1
55.01868	5.3
55.05506	29.2
57.03427	10.2
57.07071	10.7
57.43403	1.6
59.04994	3.6
65.03925	3.6
66.71896	1.7
67.05499	100.0
69.03423	30.6
69.07059	19.8
70.06567	1.5
70.21174	2.3
70.21464	7.9
71.01369	2.3
71.04986	10.5
71.08631	4.8
73.06541	2.3
79.05482	28.6
81.03414	46.4
81.03896	2.2
81.07050	59.3
83.04981	20.0
83.08622	14.2
85.02888	5.1
85.06544	5.4
87.04462	3.6
89.05993	3.1
91.04953	2.9
91.05475	30.6
93.07028	29.6
95.04968	10.5
95.08597	37.1
97.02898	15.6
97.06532	6.2
97.10170	15.0
99.04449	5.2
99.08073	2.9
105.07025	28.9
106.07344	1.8
107.04914	8.2
107.08585	25.4
109.02868	6.9
109.06534	4.7
109.10147	59.1
111.04420	7.6
111.08072	5.4
117.07026	10.3
119.08585	18.9
121.06519	3.5
121.10134	13.1
123.08069	3.7
123.11694	6.3
125.09624	14.7
127.03915	6.5
128.06207	1.8
129.05537	7.9
129.06984	7.2
131.08533	17.3
133.06471	3.7
133.10115	14.3
135.08066	4.7
135.11696	9.8
137.09613	5.4
139.11130	2.0
141.07045	2.8
143.08580	5.9
145.06490	4.1
145.10126	11.6
147.07993	3.7
147.11685	7.4
149.13235	6.0
155.08549	2.4
155.10596	3.2
157.10115	5.4
159.11678	7.6
161.09712	2.1
161.13231	3.5
163.11186	2.2
163.14864	3.4
165.12706	2.5
167.08545	3.2
169.10114	5.3
171.08122	3.5
171.10316	2.4
171.11723	6.7
173.11745	16.7
173.13315	5.5
175.11116	3.7
175.14902	2.0
181.10141	2.7
183.11746	3.0
185.09569	1.9
185.13269	5.1
187.11140	1.8
189.09464	1.5
189.11226	8.5
189.12679	1.9
193.10107	1.8
195.11603	1.8
197.13268	2.7
199.11229	3.6
199.14798	2.6
203.14352	2.6
209.13306	3.1
211.13235	2.5
213.12712	2.5
227.12721	15.0
229.14296	27.6
229.16226	2.8
245.13777	2.6
259.20581	2.9
261.22171	4.8
263.23718	4.1
277.21951	2.1
297.13232	1.9
299.14685	2.8
301.21564	4.6
303.23178	3.4
303.26315	1.9
319.22925	2.0
327.23346	2.5
335.25729	7.7
337.27570	8.2
345.24124	2.6
350.21445	1.6
351.23267	4.0
353.24429	2.4
357.24835	1.8
369.24161	8.8
371.16870	4.1
373.18658	3.1
387.25266	5.1
405.26196	2.8
443.27734	3.1
447.07532	2.1
461.28827	3.6
479.29947	2.7
487.74182	1.9
489.35571	4.1
507.37048	2.7
597.37750	4.5
615.38647	4.7
633.39899	16.6
651.43762	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	651.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.3
55.01861	4.8
55.05257	2.7
55.05506	32.6
57.03434	12.8
57.07060	5.5
59.04985	2.8
61.48262	1.7
65.03954	3.6
67.05500	100.0
68.73726	1.7
69.03426	30.5
69.07059	18.8
69.91923	11.4
70.06568	2.2
71.04985	8.4
71.08633	2.2
73.02914	4.1
79.05486	36.3
81.03412	57.7
81.07050	60.5
83.04972	27.8
83.08613	16.9
85.02885	5.9
85.06525	4.7
87.04483	2.1
89.06022	7.3
91.05476	33.3
93.07030	40.7
95.04930	9.4
95.08597	44.9
97.02872	20.6
97.06519	4.3
97.10165	16.3
98.20742	2.3
99.04478	5.5
99.08053	2.1
103.03911	2.2
105.07021	33.4
107.04964	8.8
107.08583	23.4
109.02874	9.3
109.06519	3.5
109.10143	47.6
111.04444	5.8
111.08076	2.8
117.07001	11.7
119.08571	25.1
121.06509	4.6
121.10130	16.0
121.88408	1.9
123.08022	2.2
123.11697	11.1
125.09614	13.3
127.03913	8.6
128.06201	2.2
129.04662	2.8
129.05469	13.9
129.07024	7.3
131.08510	14.2
133.10101	13.5
135.07983	4.3
135.11641	10.2
137.09601	3.3
141.06992	2.6
143.08577	7.3
145.06517	5.3
145.10146	10.7
147.08051	2.8
147.11671	10.0
147.13689	2.0
149.09644	2.6
149.13290	7.5
153.09134	2.3
155.08543	4.0
155.10623	3.1
157.06523	2.5
157.10121	4.6
159.11725	9.7
161.09616	2.5
161.13263	7.4
163.11153	3.2
163.14771	1.9
164.75011	2.4
167.08522	2.4
169.10115	3.7
171.08104	2.9
171.11714	3.9
173.09593	2.8
173.11740	13.5
173.13274	6.5
175.14864	2.3
181.10092	3.2
183.11652	3.2
185.13251	5.9
187.14850	3.1
189.11194	14.8
196.47433	1.9
197.13272	3.0
199.14716	1.9
201.12595	3.1
203.14258	2.4
213.12886	3.7
215.14561	2.1
227.12758	16.4
229.14330	20.2
243.21007	3.7
245.13843	5.7
261.22028	10.2
263.23709	4.6
275.54459	1.8
283.20575	2.3
299.14838	3.9
301.21750	3.5
307.97015	1.9
317.24658	1.9
327.23172	2.5
333.24149	2.8
335.25760	11.0
337.27243	13.6
341.24487	3.0
351.23035	3.3
369.24182	10.4
371.16937	6.7
373.18045	2.5
387.25327	3.4
405.26132	2.4
416.49188	2.2
425.26901	2.1
443.28131	3.5
459.93054	2.0
479.29846	4.0
487.34366	2.3
489.35501	4.6
507.36813	3.0
597.38068	2.6
615.38623	4.1
633.39801	14.8
651.41016	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	651.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.1
55.01871	3.2
55.05263	2.0
55.05512	23.8
57.03427	4.1
57.07085	8.1
59.04977	1.7
61.02911	4.3
62.55678	1.1
67.05501	5.7
69.03429	20.7
69.06723	2.3
69.07066	27.3
70.06597	1.4
70.33376	2.4
70.33746	5.6
71.04990	3.1
71.08611	5.2
73.02927	2.4
73.06580	1.2
76.71278	1.5
79.05487	6.9
81.03416	7.8
81.07056	17.1
83.04958	1.8
83.08147	1.8
83.08623	26.1
85.02906	53.4
85.06538	2.0
85.10177	4.0
87.04465	3.2
91.03936	2.9
91.05452	7.2
93.07050	13.1
95.04967	3.2
95.08611	17.0
97.02892	14.8
97.06502	2.4
97.10165	25.0
99.04450	2.7
105.07037	8.1
107.04968	1.5
107.08596	16.3
109.02895	6.5
109.06512	10.6
109.10161	11.6
111.08059	2.0
111.11715	3.9
119.08588	6.0
121.06518	2.4
121.10131	12.5
123.08070	5.8
123.11697	3.7
127.03931	11.1
129.07025	1.7
130.62263	1.3
131.08591	4.4
133.10110	7.2
135.04419	1.6
135.08037	4.7
135.11685	6.5
137.09604	3.1
137.13292	1.7
139.07526	1.5
143.08559	1.9
145.04951	6.7
145.06458	1.9
145.10143	3.8
147.08049	4.4
147.11700	2.6
149.13293	1.8
151.03880	3.0
151.14818	6.9
155.07013	4.9
155.08476	1.5
157.10121	2.8
159.08095	4.0
159.11700	2.0
159.78191	1.1
161.09645	4.1
165.05478	1.3
165.06926	2.6
169.10153	3.8
171.08028	1.7
173.09615	4.6
175.07570	2.6
175.14830	22.0
177.16403	7.7
179.08551	1.8
181.08609	2.3
181.10052	1.4
183.11700	2.7
185.09590	3.2
185.13240	1.5
187.14818	2.1
188.41678	1.4
189.09116	4.1
193.15884	37.1
195.08269	1.8
195.11722	5.0
195.17485	2.5
197.09636	4.3
197.13234	2.6
198.10475	2.5
199.11169	7.0
201.09050	3.5
203.10641	1.4
208.08823	4.1
211.07625	6.2
211.11137	4.6
213.09032	2.7
213.12698	8.7
215.10635	8.9
215.14275	1.6
217.12279	1.9
223.11188	9.8
225.09238	2.6
225.12717	3.5
226.09917	25.1
229.12241	1.7
231.13753	2.6
235.13206	2.2
239.10654	2.3
239.14427	1.8
240.11520	2.2
241.12234	100.0
243.13850	8.2
253.12262	1.8
258.60147	1.5
259.13303	72.7
261.14948	9.5
266.74878	1.4
267.13776	2.6
277.14417	2.9
279.15976	5.2
297.18484	2.4
313.14328	3.0
315.15887	1.5
327.19791	1.7
331.15335	2.6
341.17545	3.9
343.18747	1.7
355.18845	1.9
379.22638	1.4
393.27997	1.9
411.29144	2.4
417.27750	2.7
425.30414	2.7
429.30774	1.5
435.28955	10.6
441.21149	11.6
453.29947	29.3
457.09918	1.5
471.31042	39.1
489.32056	3.2
587.35547	2.4
615.35132	2.7
633.36414	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	651.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
53.84203	1.3
54.07991	1.2
55.01864	4.0
55.05511	35.4
57.03421	5.4
57.03684	1.5
57.07060	6.6
59.04987	3.9
61.02911	5.8
61.95883	1.5
67.05500	9.7
69.03081	1.6
69.03428	21.3
69.07067	27.9
69.53400	5.3
69.53834	5.7
70.06596	1.7
71.04977	2.6
71.08618	5.2
71.68969	1.5
73.02905	2.8
73.06555	1.8
79.05497	11.3
81.03399	6.6
81.07055	22.3
83.08614	20.1
85.02901	46.5
85.06523	2.7
85.10160	2.3
87.04436	3.3
91.05467	8.3
92.30739	1.7
93.07034	18.5
95.04960	5.5
95.08604	19.2
97.02879	15.7
97.06529	3.9
97.10165	43.4
98.20760	3.3
103.05388	1.4
105.07028	14.4
107.04922	2.3
107.08596	30.4
109.02926	2.8
109.06506	28.3
109.10160	11.3
111.08077	2.0
111.11725	2.1
117.06979	2.3
119.08571	19.9
121.06501	4.2
121.10121	17.6
123.08084	7.6
123.11692	2.6
125.05995	1.5
125.09584	2.7
127.03908	9.8
129.06984	1.5
131.08511	4.4
133.10117	17.0
135.04369	1.5
135.08038	7.0
135.11667	12.1
137.05992	3.3
137.09607	5.3
137.13243	2.1
139.11182	1.5
143.08543	3.9
145.04936	5.0
145.06453	1.5
145.10133	6.3
147.08049	2.4
147.11688	4.2
149.05981	1.5
149.13290	3.1
151.07561	2.2
151.14803	6.8
155.07021	10.1
155.08353	2.5
157.10092	3.3
159.08096	3.2
159.11690	4.0
161.09637	2.6
163.07483	3.6
163.11151	2.5
165.06982	1.7
167.08492	1.9
169.10054	2.9
171.08061	2.2
171.11729	2.6
173.09593	5.8
173.13309	2.4
175.07541	2.6
175.11339	2.2
175.14822	58.9
177.09201	1.4
177.16371	4.6
179.07028	4.0
181.08578	4.7
181.10075	2.3
183.08109	1.8
183.11694	2.0
184.07430	1.7
185.09665	2.1
187.07475	1.6
187.11179	4.4
187.14842	2.7
189.09055	4.3
189.12723	1.8
193.15874	100.0
195.11635	5.1
195.17464	3.3
197.09549	4.4
197.13231	4.7
198.10394	2.3
199.11137	5.4
199.14847	1.8
201.09160	2.0
208.08916	2.8
209.13300	2.1
211.07552	4.0
211.11177	2.6
213.09149	2.8
213.12727	6.6
215.10735	3.7
215.14281	5.8
217.12141	3.0
217.15784	3.5
223.10988	7.1
223.14580	1.5
225.09105	1.9
225.12720	3.4
226.09866	17.6
227.10779	1.8
231.13805	3.2
239.10611	1.9
241.12227	58.0
243.13808	5.8
249.14862	1.8
253.12149	2.0
259.13272	37.0
261.14804	18.0
267.13779	1.6
277.14310	2.2
279.15875	12.0
311.20053	1.6
315.15845	2.2
331.15030	2.0
341.17401	2.5
399.16730	1.5
417.27899	2.0
425.30096	2.3
435.28836	6.5
441.21188	30.6
441.30362	1.6
453.29895	17.4
471.31131	25.2
484.67371	1.7
495.22513	2.1
503.26282	1.9
581.38995	1.7
587.35516	4.0
615.34906	4.4
633.36133	4.5
651.37158	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	651.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.4
55.01854	0.5
55.05508	0.6
57.03427	1.0
58.24915	0.3
61.02901	0.9
64.35347	0.3
67.01845	1.0
67.05490	1.0
68.99780	1.0
69.03075	0.5
69.03422	7.4
70.04076	0.6
70.06586	2.0
71.04995	1.6
71.59940	0.6
71.77585	0.3
72.08109	0.4
73.02885	1.1
79.05468	1.1
81.03410	13.5
81.07037	1.4
82.63428	0.3
84.04509	0.4
84.08129	0.9
85.02898	4.5
86.06036	0.6
86.09684	1.2
87.00359	0.5
87.00831	5.7
87.04453	0.7
91.03938	0.6
91.05452	1.0
93.07019	0.9
95.04939	1.2
95.08531	0.4
97.02886	8.1
98.06050	0.5
99.04451	3.3
101.02373	0.4
105.01862	5.0
105.07018	0.9
107.04948	3.4
107.08595	0.4
109.02873	15.9
109.10140	0.4
110.07139	0.5
117.01842	0.6
117.07037	0.4
120.08102	0.8
121.02840	0.9
121.06499	0.3
121.10143	0.4
123.04424	1.4
123.37901	0.3
124.01544	0.6
125.02328	0.8
127.03904	22.1
129.01852	0.5
129.06912	0.4
131.08640	0.5
133.10065	0.5
136.06270	0.4
136.07465	0.4
137.02332	2.2
138.09134	0.5
145.04947	1.8
145.33162	0.4
149.02364	0.4
151.03894	1.0
159.02875	2.4
163.03891	0.4
167.03391	3.4
179.03386	1.3
194.99788	0.3
195.02872	0.3
197.04384	0.5
213.03860	1.6
215.06995	1.6
227.11772	0.5
231.04968	1.4
243.06563	2.8
267.16022	0.6
271.05988	1.7
274.04703	2.8
288.06094	0.8
299.05493	0.5
302.04184	2.1
317.06537	100.0
318.06903	2.1
345.14752	0.3
367.52261	0.4
442.94894	0.4
461.26749	0.4
511.08325	0.5
582.35132	1.1
650.35474	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.6
57.07068	0.9
58.06620	0.5
59.07381	0.2
60.08160	6.2
62.29337	0.2
67.05492	0.7
69.07072	0.5
69.92007	0.7
69.92416	0.3
70.06571	0.2
71.07368	3.6
71.08654	0.2
79.05502	0.2
81.07038	0.4
83.15357	0.2
84.75744	0.2
84.98087	0.2
86.09700	29.5
89.06001	0.3
98.20782	0.3
98.98457	3.0
104.10741	1.9
105.07021	1.1
109.10132	0.5
124.99995	20.2
143.00981	0.3
157.03020	0.2
180.94919	0.2
184.07326	100.0
316.84424	0.2
397.13333	0.2
422.03583	0.2
458.70557	0.2
496.33429	0.3
650.43988	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	649.3939
Annotation	Rubuside H
Peak:m/z	Relative Intensity
53.03934	7.8
55.01876	4.9
55.05505	37.7
57.03429	15.7
57.07076	5.1
59.05003	3.1
59.49350	2.1
59.90166	2.3
61.02921	11.8
65.03935	6.4
67.05503	100.0
69.03429	28.3
69.07064	22.0
70.05368	12.7
71.04988	13.0
72.33784	1.9
73.02914	7.4
75.06966	2.2
79.05488	52.7
81.03416	45.7
81.07055	55.6
83.04982	12.5
83.08611	20.2
85.02908	19.9
85.06535	4.7
89.06040	2.3
89.18525	2.3
91.03960	4.2
91.05477	52.5
93.07039	53.6
95.04965	11.9
95.08608	35.8
97.02898	26.2
97.06512	5.9
97.10163	22.1
99.04429	4.7
103.05486	2.9
105.07024	45.3
107.04963	9.0
107.08595	29.8
108.03085	2.3
109.02895	6.3
109.06490	5.6
109.09442	4.1
109.10150	52.5
109.77406	2.1
111.04456	3.8
111.08068	5.6
115.05453	3.6
117.07019	28.5
118.07255	2.0
119.08572	38.4
121.06481	4.7
121.10140	16.9
123.08041	4.4
123.11749	2.5
125.09625	18.3
127.03925	11.8
128.06212	3.6
129.05467	3.4
129.07001	18.9
131.08556	31.4
133.06485	4.0
133.10126	24.5
135.08064	6.1
135.11682	12.6
137.05869	2.3
137.09586	6.5
141.06990	6.8
142.07744	4.0
143.08556	16.9
145.06480	6.2
145.10115	31.6
147.08096	3.5
147.11658	16.7
149.13275	7.5
153.06898	2.4
155.08533	12.4
155.10667	4.1
156.09369	2.5
157.06496	3.4
157.10097	15.6
159.08058	4.4
159.11717	25.8
161.09550	4.0
161.13246	10.8
163.14745	2.4
167.08530	3.7
168.09390	2.7
169.10117	14.7
171.08089	3.0
171.11676	14.7
173.11732	16.6
173.13272	12.4
175.11226	3.1
175.14795	4.3
181.10095	8.9
183.07921	2.5
183.11691	12.6
185.13271	8.5
187.14720	4.2
189.11250	14.7
189.12718	4.5
195.11716	6.4
197.09621	4.3
197.13258	7.5
199.11185	3.5
199.14813	4.4
201.12697	4.2
201.16388	3.1
209.13235	6.9
211.11151	5.6
211.14755	5.1
213.16322	3.5
221.13390	2.9
223.11255	4.5
223.14832	6.1
225.12712	2.7
227.12663	18.2
229.14290	17.2
239.18105	3.2
241.19519	7.5
245.13824	8.8
251.14322	3.4
257.18970	2.5
259.20544	12.1
261.22037	5.2
271.20374	7.0
283.15332	3.3
283.20584	4.0
289.21884	2.8
299.15005	3.2
301.21558	6.1
313.21475	3.6
333.24170	7.3
335.25818	7.2
349.21390	2.5
351.23077	5.5
367.22656	10.0
369.24332	5.1
371.16888	4.3
373.18518	6.5
375.25110	5.0
385.23785	4.9
395.29486	6.1
403.24588	3.6
469.33383	3.9
477.28174	3.5
485.32007	2.7
487.34155	91.4
488.34216	4.0
505.35056	3.3
529.35022	6.3
571.36652	2.4
577.35114	2.7
583.35834	3.6
595.36029	6.8
613.37531	13.7
631.38458	21.3
649.39392	51.5
650.38739	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	649.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42696	2.1
53.03924	8.7
55.01858	6.0
55.05507	36.3
56.96542	4.7
57.03432	15.5
57.07067	3.7
59.04969	2.6
61.02909	8.1
65.03935	3.8
67.05495	100.0
68.05805	3.0
69.03429	24.3
69.07063	22.9
70.06578	3.7
71.04969	9.5
71.59813	3.8
73.02914	6.6
78.01856	2.2
79.05482	49.6
81.03410	55.7
81.07045	53.0
83.04990	13.2
83.08611	22.5
84.08086	2.0
85.02896	10.8
85.06526	5.4
89.05978	2.6
91.03924	5.6
91.04951	4.0
91.05475	48.7
93.07031	47.7
95.04950	15.8
95.08599	33.7
96.70281	2.0
97.02879	23.6
97.06520	5.6
97.10156	20.7
99.04442	6.6
99.08073	2.9
105.07017	45.8
105.07677	4.6
107.04945	15.1
107.08579	35.1
109.02862	8.7
109.06506	10.1
109.09447	4.9
109.10143	56.0
111.04459	5.7
111.08044	6.4
115.05442	2.4
117.06988	21.7
119.08565	42.7
121.06508	5.6
121.10130	24.3
123.08051	9.2
125.09617	22.0
127.03895	11.9
128.06206	4.4
129.05447	2.6
129.06995	18.7
131.08551	39.4
133.06436	5.7
133.10114	29.1
135.08026	9.7
135.11713	14.0
137.09547	5.5
141.06960	6.3
142.07788	3.1
143.08546	17.4
145.06458	6.2
145.10101	31.4
147.08028	5.9
147.11674	20.4
149.09605	5.5
149.13235	9.6
151.07547	6.1
153.09067	3.7
155.08533	12.4
156.09239	2.9
157.06445	3.0
157.10080	13.4
159.08107	3.9
159.11650	18.4
161.09631	4.4
161.13208	12.9
163.14822	3.3
165.06969	2.7
165.09111	2.5
167.08543	5.1
167.10638	3.9
169.10056	9.0
171.07916	2.9
171.11694	10.7
173.09564	5.0
173.11691	14.9
173.13234	12.6
175.11163	3.1
175.14781	5.7
180.09410	2.7
181.10115	6.3
183.08081	2.7
183.11665	8.3
185.09575	3.6
185.13240	12.3
187.11285	4.0
187.14786	7.9
188.92436	9.4
189.11194	14.7
189.12679	3.0
193.10120	3.8
195.11697	7.8
197.13245	9.2
199.14793	7.2
203.14259	2.7
207.11789	3.8
207.13710	3.4
209.13232	4.0
211.14868	4.1
215.14297	2.4
217.07552	2.8
221.13260	2.5
221.15355	6.3
223.14766	4.6
225.12695	3.5
225.16380	3.0
226.93993	4.8
227.12657	17.9
229.07426	9.6
229.14250	16.9
231.09084	3.3
233.13353	2.8
241.19518	7.8
245.13824	6.9
247.08511	6.5
252.39793	2.4
253.19643	2.6
257.18832	3.2
259.20621	13.1
261.22125	6.8
271.20630	5.0
273.22089	4.2
275.20074	3.1
283.20593	4.1
301.21756	4.3
315.23093	2.8
333.24133	7.3
335.25763	10.2
349.21194	3.3
351.18222	6.0
351.22580	5.4
367.22565	6.8
369.19357	6.8
369.24011	4.1
371.16922	3.8
373.18488	9.3
375.25388	4.3
385.23407	5.4
387.24976	2.8
395.29602	4.3
413.30685	3.1
469.14417	31.4
469.32895	2.7
487.34152	67.9
488.34564	3.0
505.34991	5.1
529.35193	5.3
571.35785	3.3
595.36426	7.6
613.37573	12.7
618.28839	4.5
629.48230	2.7
631.38379	18.9
632.37024	2.7
649.39990	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	649.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42696	2.1
53.03924	8.7
55.01858	6.0
55.05507	36.3
56.96542	4.7
57.03432	15.5
57.07067	3.7
59.04969	2.6
61.02909	8.1
65.03935	3.8
67.05495	100.0
68.05805	3.0
69.03429	24.3
69.07063	22.9
70.06578	3.7
71.04969	9.5
71.59813	3.8
73.02914	6.6
78.01856	2.2
79.05482	49.6
81.03410	55.7
81.07045	53.0
83.04990	13.2
83.08611	22.5
84.08086	2.0
85.02896	10.8
85.06526	5.4
89.05978	2.6
91.03924	5.6
91.04951	4.0
91.05475	48.7
93.07031	47.7
95.04950	15.8
95.08599	33.7
96.70281	2.0
97.02879	23.6
97.06520	5.6
97.10156	20.7
99.04442	6.6
99.08073	2.9
105.07017	45.8
105.07677	4.6
107.04945	15.1
107.08579	35.1
109.02862	8.7
109.06506	10.1
109.09447	4.9
109.10143	56.0
111.04459	5.7
111.08044	6.4
115.05442	2.4
117.06988	21.7
119.08565	42.7
121.06508	5.6
121.10130	24.3
123.08051	9.2
125.09617	22.0
127.03895	11.9
128.06206	4.4
129.05447	2.6
129.06995	18.7
131.08551	39.4
133.06436	5.7
133.10114	29.1
135.08026	9.7
135.11713	14.0
137.09547	5.5
141.06960	6.3
142.07788	3.1
143.08546	17.4
145.06458	6.2
145.10101	31.4
147.08028	5.9
147.11674	20.4
149.09605	5.5
149.13235	9.6
151.07547	6.1
153.09067	3.7
155.08533	12.4
156.09239	2.9
157.06445	3.0
157.10080	13.4
159.08107	3.9
159.11650	18.4
161.09631	4.4
161.13208	12.9
163.14822	3.3
165.06969	2.7
165.09111	2.5
167.08543	5.1
167.10638	3.9
169.10056	9.0
171.07916	2.9
171.11694	10.7
173.09564	5.0
173.11691	14.9
173.13234	12.6
175.11163	3.1
175.14781	5.7
180.09410	2.7
181.10115	6.3
183.08081	2.7
183.11665	8.3
185.09575	3.6
185.13240	12.3
187.11285	4.0
187.14786	7.9
188.92436	9.4
189.11194	14.7
189.12679	3.0
193.10120	3.8
195.11697	7.8
197.13245	9.2
199.14793	7.2
203.14259	2.7
207.11789	3.8
207.13710	3.4
209.13232	4.0
211.14868	4.1
215.14297	2.4
217.07552	2.8
221.13260	2.5
221.15355	6.3
223.14766	4.6
225.12695	3.5
225.16380	3.0
226.93993	4.8
227.12657	17.9
229.07426	9.6
229.14250	16.9
231.09084	3.3
233.13353	2.8
241.19518	7.8
245.13824	6.9
247.08511	6.5
252.39793	2.4
253.19643	2.6
257.18832	3.2
259.20621	13.1
261.22125	6.8
271.20630	5.0
273.22089	4.2
275.20074	3.1
283.20593	4.1
301.21756	4.3
315.23093	2.8
333.24133	7.3
335.25763	10.2
349.21194	3.3
351.18222	6.0
351.22580	5.4
367.22565	6.8
369.19357	6.8
369.24011	4.1
371.16922	3.8
373.18488	9.3
375.25388	4.3
385.23407	5.4
387.24976	2.8
395.29602	4.3
413.30685	3.1
469.14417	31.4
469.32895	2.7
487.34152	67.9
488.34564	3.0
505.34991	5.1
529.35193	5.3
571.35785	3.3
595.36426	7.6
613.37573	12.7
618.28839	4.5
629.48230	2.7
631.38379	18.9
632.37024	2.7
649.39990	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	649.2596
Annotation	Lyngbyaloside B
Peak:m/z	Relative Intensity
50.83967	0.2
53.03946	0.6
55.01861	0.5
56.05037	0.8
57.03432	0.4
65.03932	2.9
67.05499	1.6
69.03420	0.6
70.04082	0.9
70.06594	1.2
71.08626	2.5
72.08127	0.3
73.02891	0.3
77.03944	0.2
79.05477	0.3
79.64569	0.2
80.02628	0.3
81.03413	3.1
81.07047	0.3
83.06093	1.4
84.04501	8.3
84.05009	0.4
85.02901	1.6
85.07654	1.5
86.09717	0.6
88.11266	18.1
91.05478	0.3
95.04964	2.2
97.02880	1.5
97.59726	0.3
98.06052	4.7
99.04478	0.4
105.04541	0.3
105.07009	1.1
107.04948	1.1
108.02097	2.4
109.02895	2.0
110.91828	0.2
111.04442	1.9
114.03870	0.2
118.06488	0.3
120.08114	0.3
121.02864	39.8
121.03864	1.3
122.03232	0.3
123.04359	0.3
127.03917	0.9
130.05008	1.3
132.08133	0.5
133.08875	3.4
136.01584	0.6
136.40488	0.2
139.03886	2.7
141.04385	0.3
141.05472	4.6
148.11205	33.8
151.03900	100.0
151.04980	6.3
152.04272	0.8
153.13857	6.5
154.12262	6.2
154.55898	0.2
167.03444	0.3
168.06598	0.6
171.14920	21.6
199.14410	33.1
200.12822	6.0
200.14705	0.4
217.15471	8.2
217.17535	0.4
220.09715	0.3
265.07047	2.4
280.08093	0.6
304.95465	0.2
306.51028	0.2
317.06543	2.1
321.17953	0.6
325.14896	0.5
342.05896	0.3
349.13556	0.4
349.17572	4.9
367.18625	21.3
368.18695	0.3
384.07095	0.8
401.09451	0.4
439.70450	0.2
572.64532	0.3
649.29102	0.5
653.81592	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59721	2.2
53.03938	7.7
54.30998	2.1
55.01854	8.1
55.05508	27.4
56.96548	4.5
57.03418	6.6
57.07066	2.7
57.50300	2.1
59.04986	5.0
61.02909	2.6
62.69759	2.1
65.03934	3.1
67.05501	100.0
69.03140	1.8
69.03432	22.2
69.07059	26.7
69.91451	12.4
70.04050	2.1
71.04980	8.1
72.48627	2.1
79.05493	39.5
81.03413	38.7
81.07052	47.0
83.04984	11.4
83.08591	12.6
85.02892	7.5
85.06513	2.7
87.04449	4.1
89.06004	6.3
91.05472	42.5
93.07045	34.9
95.04955	17.5
95.08604	22.6
97.02872	12.4
97.06519	8.1
97.10146	14.1
98.21397	3.1
99.04440	3.6
99.71252	2.1
105.07027	48.3
106.07362	2.3
107.04948	12.7
107.08579	31.8
109.02895	10.8
109.06525	10.2
109.10147	50.0
111.04413	9.4
111.08067	5.3
115.05415	3.2
117.06993	16.4
119.08572	38.6
121.06482	7.7
121.10146	16.2
123.08028	4.9
123.11636	3.0
125.02329	2.8
125.05965	3.7
125.09608	12.3
126.04948	2.2
127.03920	10.2
127.07513	1.9
128.06165	2.8
129.06982	11.1
130.07790	2.7
131.04819	2.2
131.08566	21.5
133.08585	6.5
133.10100	27.9
135.08078	4.4
135.11649	8.5
137.09570	7.9
141.06992	4.4
142.07777	2.7
143.08517	9.3
145.06454	4.7
145.10124	20.3
147.08034	7.1
147.11681	11.8
148.16750	2.0
149.09634	6.2
149.13196	3.1
151.07591	2.8
151.11189	2.9
153.09070	2.1
155.08539	5.9
155.10631	3.1
156.09323	2.6
157.10095	11.7
159.08002	3.7
159.11696	12.2
161.09630	6.1
161.13217	3.5
163.11169	7.1
167.08606	2.3
167.10687	4.3
169.10086	5.3
171.08025	2.4
171.11681	6.7
173.04454	2.3
173.09604	4.5
173.11707	12.5
173.13158	4.7
175.11179	3.8
177.09148	2.5
179.08525	2.9
179.14325	4.3
181.10077	3.1
183.11665	5.8
185.09607	3.7
185.13208	2.5
187.11108	2.7
187.14781	2.4
189.11241	8.8
189.12833	2.6
193.10011	3.0
195.11737	3.5
197.09506	3.6
197.13232	5.2
199.06303	2.5
201.12691	2.3
213.12708	3.3
221.15355	4.7
227.12691	4.2
229.14348	11.1
229.19551	2.1
239.17935	3.1
241.11061	5.7
247.20428	3.2
257.19006	9.0
259.12213	9.2
259.20563	2.6
273.18369	2.6
275.20050	33.4
275.22824	3.8
299.14886	7.4
299.19998	3.5
331.15717	2.6
335.20517	2.5
349.16986	11.0
349.23575	4.4
353.21176	7.7
355.17432	6.0
367.17905	18.3
390.19382	4.2
419.24149	2.6
420.91220	2.3
425.71710	2.3
467.14804	2.6
475.26611	3.3
477.67126	2.5
485.32852	3.7
503.33456	5.7
504.95309	2.2
596.07007	2.6
611.35577	4.0
615.39459	2.6
629.36725	9.6
647.38098	68.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43149	0.4
56.96541	0.4
67.05505	0.6
69.78927	3.0
70.06580	1.9
72.08143	0.7
77.82976	0.5
79.05495	0.6
84.55991	0.5
85.95456	0.5
86.09689	0.8
91.05463	0.5
92.74892	0.5
98.20757	0.6
107.04971	0.7
120.08085	0.6
170.98749	0.5
188.02791	0.6
194.48613	0.6
203.05310	2.9
210.06494	0.6
275.20322	0.5
282.60800	0.5
317.18219	0.6
334.19293	0.7
335.18890	3.4
349.17123	0.9
465.33420	23.8
645.39716	100.0
646.40082	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51075	0.7
56.33208	0.7
58.99570	1.9
71.57861	1.0
76.02236	4.6
79.05495	1.2
80.33345	0.7
85.11404	0.8
86.06062	1.5
86.99044	1.2
95.04980	1.4
105.00101	3.1
107.04957	100.0
122.02734	44.7
190.77029	0.7
228.06894	17.2
273.24518	0.9
282.04660	0.7
370.25751	0.8
420.76620	0.7
657.35773	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11647	0.5
54.84316	0.6
55.01852	1.0
56.96552	0.7
57.03425	0.7
57.97101	0.6
59.06708	0.6
61.02934	0.6
65.03918	1.8
67.05497	1.8
68.05019	0.6
69.03423	1.4
69.78053	2.4
69.78467	1.4
70.06245	0.6
70.06572	4.1
72.08133	0.9
79.05481	3.6
80.05010	1.6
81.03397	1.9
81.05776	1.1
81.07031	1.3
82.06561	2.3
84.04494	1.2
84.08128	2.1
85.02905	2.5
91.05478	3.8
93.03406	1.4
93.05811	0.8
93.07049	7.1
94.06563	9.7
95.04976	1.7
95.07344	7.3
95.08575	1.1
96.07545	1.2
96.08128	18.9
97.06509	1.5
103.05485	1.7
106.06535	1.7
107.04950	4.2
108.04453	2.6
108.05155	0.6
108.08114	9.4
109.02839	0.6
109.08856	0.8
110.06033	1.4
110.07143	0.9
110.09672	31.7
111.26324	0.7
116.05013	1.1
118.06493	1.5
120.04454	7.9
120.08105	22.0
121.02827	0.8
121.06525	0.8
122.06009	3.3
123.06829	1.6
124.07590	16.1
127.03904	1.3
133.06062	0.7
134.06010	8.6
136.07558	10.3
137.05978	0.7
138.05487	2.6
138.09135	43.3
144.04422	2.8
146.06004	41.4
148.07565	10.6
150.05444	1.1
152.07051	4.3
153.01805	2.0
160.07579	1.0
162.05482	1.9
163.03935	1.0
164.07077	7.9
166.08632	100.0
167.08937	0.7
172.03928	12.4
174.05553	0.8
176.07103	0.8
176.90417	0.7
178.05151	0.6
182.08139	1.8
188.07094	0.8
190.04990	11.5
192.06573	1.1
194.08122	0.9
196.09854	0.9
197.07982	0.7
197.10748	2.4
198.09143	0.8
198.11482	2.1
204.06470	0.8
206.08287	0.9
209.10687	1.4
210.11578	0.9
211.08664	1.0
211.12283	2.2
212.09428	1.0
213.10159	0.9
216.06653	0.8
221.10881	1.1
222.09189	0.9
222.11510	1.1
223.12256	1.1
224.09445	2.2
225.10158	5.3
226.10939	4.0
227.11737	4.5
233.10693	1.1
234.07608	1.5
236.09087	0.8
237.10158	5.6
238.11061	2.1
239.08110	1.5
239.11803	13.0
240.12506	1.4
241.09727	1.6
241.13394	0.9
245.12897	2.7
247.14476	3.8
249.10219	1.3
250.11192	0.8
251.08127	0.8
251.11786	5.6
252.08989	1.5
253.09837	3.6
253.13326	4.4
255.11298	3.5
257.12946	1.0
263.11707	1.7
265.09683	7.7
266.10550	1.8
267.11292	10.2
269.12845	0.9
270.11292	1.1
271.10812	2.4
271.14450	4.3
273.12357	11.5
278.06528	1.3
279.11267	4.5
280.08389	1.4
281.09509	1.2
281.12839	6.4
283.10773	3.3
284.11212	0.8
285.12329	2.9
287.13904	2.1
293.09253	7.1
294.09924	1.4
295.10880	1.4
297.12271	4.6
298.13101	2.4
299.13882	43.8
300.11081	1.7
300.14349	1.3
307.10751	1.6
309.12268	4.3
311.10324	1.7
312.10995	1.8
313.11755	2.8
315.13406	15.1
323.10193	1.2
325.11847	8.3
327.13382	29.7
328.13867	1.0
328.17725	0.8
335.10199	3.4
340.10739	0.8
341.11331	9.0
341.15155	1.2
343.12747	1.6
353.11282	6.5
359.12405	1.1
371.12006	1.0
381.09628	6.7
390.17926	1.1
399.10611	4.2
399.15298	0.8
402.17905	0.8
404.19580	0.9
420.19092	1.1
432.19147	2.6
434.20670	2.0
438.19949	2.1
444.19220	1.1
452.21658	3.0
460.18552	1.1
462.20313	8.3
463.20895	1.6
465.18811	3.1
478.19684	3.7
480.21304	29.2
481.21509	1.5
481.97928	0.7
488.18253	4.8
506.19247	52.1
507.19653	2.9
524.19891	3.1
585.26886	2.5
586.21814	0.7
611.24591	2.6
643.80457	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62214	1.0
54.55893	0.9
55.05503	1.6
56.96561	7.8
61.02917	1.3
65.03933	0.8
67.05505	3.7
69.03396	1.9
69.07063	2.6
70.06578	2.3
71.59602	1.3
79.05483	5.9
80.05029	1.1
81.03420	2.3
81.07035	4.7
82.06567	1.0
84.08160	0.9
85.02880	2.5
86.09713	1.1
91.03979	2.1
91.05476	3.6
93.07047	3.8
94.06550	2.9
95.04961	3.1
95.07340	1.0
95.08606	1.8
96.08124	3.5
97.02868	1.3
97.06565	1.2
98.97583	1.9
105.07027	3.5
106.06538	1.8
107.04941	6.1
107.07317	5.8
107.08595	1.9
108.08116	18.2
109.06565	1.3
109.10172	2.0
110.09661	3.8
112.99097	1.1
113.80529	1.0
115.44366	1.0
116.05002	1.6
116.98645	1.3
117.07047	1.8
119.08551	1.9
120.04479	4.3
120.08114	4.2
121.06524	1.0
121.10140	1.2
122.06034	2.9
122.09650	14.1
124.07590	3.7
127.03886	1.1
130.38493	0.9
131.00186	3.6
131.08549	1.5
133.10081	1.5
134.05998	1.4
134.99644	1.7
135.06801	1.4
135.11661	1.2
136.07571	4.1
138.05513	2.8
138.09128	5.0
141.06992	1.6
144.04430	5.3
146.06018	3.9
147.11618	0.9
148.07587	2.2
149.01195	8.3
150.09128	93.0
152.07063	2.2
157.10167	1.3
161.01181	1.4
162.05499	2.9
163.11134	1.3
164.07089	1.3
166.05000	1.2
166.08643	3.9
167.02180	1.8
172.02510	1.6
172.03928	28.7
172.05400	1.6
174.05510	2.8
177.00650	1.6
178.04970	1.4
190.04950	12.4
191.02409	1.3
204.06531	12.0
205.06920	1.2
209.10678	1.1
211.08650	1.2
212.09415	2.3
213.10194	1.9
215.06999	3.8
216.06621	1.1
217.07474	1.1
222.11517	1.1
223.08620	3.0
223.12329	1.4
224.09395	2.9
225.08154	1.7
225.10141	7.0
226.10884	2.1
227.11816	2.5
229.07428	1.2
229.13264	1.3
231.09245	1.0
231.14973	2.2
235.08630	1.6
235.12268	1.8
236.09488	3.8
237.10205	11.3
238.10963	2.7
239.08080	1.9
239.11801	5.2
241.09764	2.7
243.08954	1.3
247.08517	1.3
248.09425	1.7
249.10243	4.0
250.10889	2.6
251.08069	2.2
251.11790	10.3
252.08945	2.4
252.12418	1.5
253.09615	7.6
253.13445	1.2
255.08998	1.2
257.12814	4.3
259.16119	1.0
261.10233	2.2
262.10660	1.8
263.11755	3.7
264.08871	2.1
264.11984	1.2
265.09711	18.5
265.12817	1.2
265.13428	0.9
266.10391	4.6
267.11295	5.2
269.10464	6.5
269.13013	1.9
271.10864	3.1
278.06699	4.7
279.11349	10.6
280.08566	1.8
280.11877	3.0
281.12888	6.8
283.08182	1.3
283.10797	7.9
283.14063	2.0
285.12460	7.3
286.13019	1.5
287.11493	2.6
287.14255	1.7
291.11194	2.4
292.08188	2.5
292.12094	2.1
293.05478	5.8
293.09201	14.0
293.12473	1.9
294.09937	5.0
296.11423	2.0
297.12466	6.4
299.10397	2.2
299.13907	2.4
307.10809	3.8
309.12299	14.2
311.06491	2.6
311.10565	3.8
311.14215	1.5
312.11044	3.3
313.11676	4.9
323.10168	2.0
325.11810	11.8
327.13364	6.9
331.15875	1.8
335.10278	7.6
337.11707	2.1
339.13138	1.4
340.10654	2.0
341.11337	6.4
341.14957	3.3
342.12308	1.6
349.16919	3.8
353.11383	12.1
357.14365	2.5
358.15231	1.2
367.17871	2.8
371.12430	1.1
372.16174	1.9
373.13733	1.6
385.13892	5.1
398.14902	1.4
399.15842	1.4
404.19583	1.3
418.21298	1.2
421.19687	1.5
432.18860	1.2
446.21164	2.0
449.19254	6.1
458.16858	4.2
460.18588	1.4
462.20135	7.7
472.18665	4.1
487.18375	5.2
490.19699	100.0
491.20355	4.5
492.21228	7.2
504.21387	1.6
505.21716	2.0
509.21570	2.2
521.21301	2.3
522.22137	14.4
523.23029	11.6
524.23364	7.9
567.25031	1.6
585.26141	5.3
595.25507	7.3
598.77209	1.0
613.25861	2.1
645.33911	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11031	0.9
54.62185	0.9
57.03443	1.2
59.36708	0.9
65.03939	1.7
67.05486	4.1
69.07056	1.9
69.60595	6.3
70.06570	2.7
79.05485	4.6
80.05006	2.0
81.03392	1.9
81.07031	2.2
82.06566	2.3
85.02880	1.6
86.67353	0.9
91.05464	5.4
93.05758	2.0
93.07034	6.9
94.06564	12.6
95.04952	3.6
95.07346	7.7
95.08604	2.3
96.04467	1.0
96.08119	18.0
97.02870	0.9
97.06517	1.1
97.10118	1.2
105.07005	2.1
106.06558	6.9
107.04990	1.8
107.07339	1.8
108.04479	1.3
108.08108	27.5
109.02868	1.1
109.08879	1.0
110.09685	32.6
116.04965	2.4
117.05744	1.0
118.06500	2.9
120.04478	5.8
120.08089	24.3
121.06528	1.3
121.08876	1.9
121.10062	1.1
122.06027	15.0
122.09666	2.4
124.07590	16.2
132.08064	1.3
134.06006	5.0
134.09590	1.8
134.63454	1.1
136.07570	54.8
138.05545	2.0
138.09129	42.4
144.04437	5.4
144.07988	1.5
146.06001	12.8
146.09625	2.2
147.06699	1.1
148.07558	27.9
150.05519	2.3
150.09143	8.0
152.05840	2.0
152.07057	34.1
157.10176	1.5
160.03961	2.8
160.07489	2.4
162.05556	5.3
164.07045	10.9
165.07875	2.6
166.08632	67.1
172.02490	2.1
172.03928	30.7
172.07445	1.2
173.04498	1.0
174.05482	2.3
174.09128	2.6
174.62341	1.0
176.07054	4.4
178.05086	1.3
180.10110	1.5
182.08182	1.4
182.09654	1.6
182.39697	1.0
183.08952	1.0
184.07561	1.2
184.09932	2.2
185.10736	1.4
188.07094	1.3
190.04971	26.4
192.06554	1.7
194.08206	1.6
195.09148	1.4
197.10730	3.5
198.11482	8.3
199.12268	4.2
204.06543	40.8
207.09322	1.5
208.09750	1.4
209.10745	3.8
210.09406	1.9
210.11456	11.8
211.08731	1.9
211.12273	18.7
212.09380	3.6
212.12943	6.2
213.10184	3.9
213.13615	1.8
218.08148	2.4
221.10628	2.2
222.09467	1.4
222.11465	2.4
223.08784	2.1
223.12274	16.4
224.09390	2.9
224.13049	2.5
225.10219	19.2
225.13698	4.7
226.08879	1.6
226.10968	12.2
227.11792	7.7
229.09706	1.9
229.13321	4.0
233.10716	1.2
234.11574	1.5
235.08614	2.9
235.12270	3.5
236.09453	4.3
236.12970	1.1
237.08344	0.6
237.10207	21.5
237.13809	2.2
238.10957	19.2
239.11784	22.4
240.12540	3.9
241.09682	2.6
241.13417	2.9
243.11240	1.9
246.07594	1.5
248.09419	2.9
249.10184	13.4
250.11021	9.9
251.08093	3.0
251.11790	31.6
252.08966	4.6
252.12514	9.8
253.09822	5.0
253.13353	10.6
255.11252	9.6
256.12079	12.2
257.12802	3.9
259.14398	3.1
261.10156	2.0
262.11026	11.2
263.07813	2.3
263.11774	26.8
263.14441	1.9
264.08771	9.3
264.12546	8.1
265.09702	16.5
265.13315	15.2
266.10550	12.8
266.13535	1.8
267.08386	2.1
267.11279	41.3
268.11981	4.1
269.12799	13.9
271.10800	5.2
271.14368	12.9
273.12292	8.0
275.11774	2.2
276.12549	1.4
277.09708	4.8
277.13330	3.6
278.10486	8.1
279.11261	63.6
280.11942	12.6
281.09708	2.3
281.12827	20.1
282.09988	2.3
282.13474	3.7
283.10785	10.6
284.11520	21.8
285.12317	76.3
286.12912	1.3
287.13864	5.7
289.15494	5.3
291.11273	18.6
292.12021	6.4
293.09207	3.8
293.12799	20.8
294.10037	1.4
294.13422	1.6
295.10699	5.8
295.14035	2.1
296.11514	12.8
297.12314	94.5
298.12979	6.3
299.13910	13.2
300.14999	1.3
302.13449	1.1
303.10776	1.2
304.08380	2.2
307.10742	3.5
309.12320	33.5
310.13083	9.2
311.10220	14.1
311.13882	6.3
312.11118	4.8
313.11749	5.6
315.13611	2.1
316.14450	2.2
318.15787	1.4
319.10757	16.5
321.12311	32.8
322.12802	1.7
323.10303	22.7
323.14001	2.4
324.11047	2.0
325.07947	1.9
325.11810	39.5
326.12357	2.4
327.13358	21.7
328.14099	2.4
330.12436	1.4
330.15945	1.9
332.17670	1.7
337.11792	87.2
338.12302	5.4
339.13373	8.1
340.14453	1.6
341.11322	3.2
341.15137	1.5
342.15866	2.4
343.12891	5.9
344.13757	1.9
344.17480	2.0
346.19144	5.0
348.20825	1.5
355.12881	1.9
356.13840	2.8
357.14468	11.8
358.15390	3.6
358.19339	1.4
359.15973	7.5
360.17120	1.8
362.18613	1.8
367.12735	1.7
369.14551	6.0
370.15210	2.7
371.16019	4.1
372.16824	2.6
373.13815	3.0
374.18484	3.3
376.16159	2.0
376.20215	2.9
379.19040	1.8
384.17090	1.7
385.13846	4.0
386.14594	1.4
386.18860	1.3
388.16351	3.4
390.18015	3.7
392.19687	7.6
397.20209	1.3
399.15411	1.6
400.16330	4.7
401.17023	1.8
402.18100	9.0
403.19077	1.5
404.19736	10.1
412.16550	3.0
414.17987	2.4
416.19571	4.1
418.17462	4.0
420.19083	4.4
421.19998	3.7
422.20337	5.8
429.16254	1.2
430.17636	23.6
431.18124	2.0
432.19083	14.2
433.19781	2.9
434.20657	1.9
435.21457	1.2
436.18619	5.4
442.17578	4.9
444.18863	3.6
446.20880	10.4
448.18625	68.7
449.19403	62.7
450.20218	44.8
454.17374	1.1
460.18674	49.0
461.19211	3.9
462.20288	9.9
463.20718	3.2
464.21194	1.2
472.18652	4.7
474.20154	11.8
476.18192	25.9
477.18912	18.7
478.19635	22.0
480.21054	4.3
490.19687	97.3
491.20432	23.2
492.14322	2.2
492.21252	37.2
493.22183	7.4
508.20764	1.2
522.14801	1.6
522.22327	28.8
523.23047	17.2
524.23248	4.3
559.24982	1.4
567.26715	4.6
571.25488	2.8
577.24011	1.8
585.26709	3.3
595.25494	23.2
596.25684	1.6
613.26514	100.0
614.26538	3.7
645.29291	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	645.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21157	1.1
58.51014	1.2
62.32473	1.1
65.75607	1.1
67.05486	2.5
67.40059	1.1
67.82207	1.2
70.29878	4.2
79.05470	2.8
80.04985	2.3
81.07024	1.4
82.06580	1.8
83.42185	1.3
91.05464	3.6
93.07037	7.0
94.06550	9.5
95.04951	2.3
95.07339	6.3
96.08123	15.6
97.06519	1.6
103.05428	2.6
106.06548	4.4
107.04943	2.1
107.07327	1.6
108.08110	22.5
109.08933	1.9
110.09673	24.6
116.04931	1.9
120.04447	5.1
120.08102	19.2
121.08833	1.6
122.06029	12.7
122.09683	1.7
124.07570	13.6
134.05983	5.0
136.07561	42.4
138.05507	1.7
138.09119	40.6
144.04449	3.9
146.06001	9.5
146.09610	1.4
148.07555	23.9
150.05434	1.3
150.09149	7.9
152.07048	25.1
160.07591	2.7
162.05458	4.8
164.07027	8.2
165.07903	2.2
166.08626	57.0
172.03908	27.4
174.05472	3.6
174.09131	3.5
176.07027	4.2
182.08139	1.4
185.10791	1.8
190.04967	21.3
197.10657	2.3
198.09872	1.0
198.11436	7.3
199.12247	3.4
204.06535	36.8
209.10698	2.6
210.09406	2.3
210.11522	10.4
210.56065	1.3
211.12277	14.2
212.09354	1.6
212.13016	3.9
213.10284	2.8
213.13695	1.2
218.08160	3.1
221.10866	2.1
222.11481	1.5
223.08601	1.6
223.12247	11.9
224.09471	3.5
224.12988	1.7
225.10243	15.1
225.13768	2.5
226.10971	10.2
226.85944	1.3
227.11775	6.6
229.13286	2.2
233.10657	1.2
235.08656	2.9
235.12283	4.0
236.09514	3.9
237.10196	18.1
237.13818	2.9
238.11000	17.5
239.11772	15.7
240.12552	1.6
241.09872	1.7
241.13354	3.8
243.11378	1.3
246.07581	4.2
248.09402	2.8
249.07797	1.8
249.10204	12.7
250.11017	7.7
250.88103	1.1
251.08052	1.8
251.11769	29.5
252.08905	3.7
252.12476	5.9
253.09677	3.9
253.13359	8.9
255.11264	7.4
256.12070	5.4
257.12781	4.4
259.14410	1.7
261.10205	1.4
262.10995	6.4
263.07733	2.4
263.08694	1.8
263.11780	29.5
264.08719	6.0
264.12375	6.1
265.09720	11.5
265.13266	15.0
266.10403	10.0
267.11261	32.6
268.11911	2.8
269.12842	10.7
271.10861	2.2
271.14368	12.9
273.12366	8.6
275.11679	2.0
276.08804	2.3
276.12460	1.5
277.09726	5.5
278.10501	6.9
279.11255	52.4
280.12045	6.4
281.09537	2.6
281.12766	18.5
282.10001	3.4
282.13467	3.7
283.10806	10.1
283.13818	1.8
284.11496	16.1
285.12311	61.4
287.13907	5.5
289.15500	4.7
291.11240	22.4
292.11911	5.7
293.09305	3.1
293.12735	20.9
295.10828	5.9
295.13977	2.1
296.11478	9.6
297.12308	74.3
298.12991	4.5
299.13882	11.1
307.10764	4.0
309.12317	33.5
310.12903	7.3
311.10172	7.9
311.13809	4.3
312.10950	2.8
313.11884	4.7
318.15973	1.4
319.10757	17.6
321.12274	23.8
323.10291	19.2
324.11041	2.2
325.11795	34.0
326.12540	3.3
327.13364	16.4
330.15921	1.6
337.11783	85.6
338.12271	4.4
339.13300	8.1
341.11151	2.7
342.15775	1.6
343.12970	5.8
344.13812	2.1
346.19089	3.7
357.14444	12.4
358.15112	2.5
359.15927	3.8
360.16898	2.7
367.12808	1.9
369.14453	5.8
370.15674	2.1
371.16162	2.0
372.16919	2.6
373.13858	1.9
374.18753	2.0
376.20065	3.7
384.16907	1.3
385.14053	4.9
388.16568	2.0
390.18106	3.7
392.19672	5.7
400.16354	3.7
402.18045	7.7
404.19879	7.9
406.17191	1.6
412.16589	3.8
416.19464	3.5
418.17133	2.6
420.19040	2.6
422.20657	3.5
430.17593	16.9
431.17819	2.0
432.19119	9.7
436.18542	2.9
442.17548	5.8
444.19043	4.4
446.20996	9.2
448.18604	56.9
449.19406	48.0
450.20142	37.5
460.18665	39.8
461.19144	3.0
462.20145	9.0
463.21228	2.5
472.18774	3.3
474.20352	9.6
476.18036	17.5
477.18872	16.7
478.19772	17.5
480.21225	3.0
490.19687	95.2
491.20508	17.4
492.21295	27.3
493.21762	4.1
522.22308	27.1
523.22925	14.1
524.23145	2.3
567.25739	3.8
571.25000	2.7
595.25360	21.8
613.26508	100.0
614.26660	3.2
645.28790	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	645.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.05512	1.1
56.35304	1.1
56.55283	1.0
65.03941	1.0
67.05502	3.5
69.07058	1.6
70.06581	2.5
70.88878	2.0
70.89205	1.1
73.99525	1.0
79.05498	2.4
80.05001	1.0
81.03415	2.5
81.05793	1.2
81.07041	2.4
85.02905	1.8
86.09739	1.2
91.05471	4.7
93.07055	5.1
94.06573	5.2
95.04967	1.1
95.07350	3.3
96.08124	11.1
97.02922	1.2
97.06522	1.9
105.07052	1.6
106.06540	2.3
107.04958	4.5
108.04500	1.2
108.08115	12.3
109.10116	1.3
110.07136	1.0
110.09684	16.6
114.24222	0.9
116.04979	2.3
118.06510	2.5
120.04472	2.4
120.08092	12.9
121.06541	1.5
122.05994	5.8
124.07571	8.7
132.08067	1.7
134.06029	2.8
136.07573	18.4
138.09135	22.3
144.04428	6.0
146.06030	5.1
146.09709	1.4
148.07565	8.0
150.05457	1.1
150.09138	14.2
152.07059	12.2
156.25041	1.0
160.03973	1.3
160.07564	1.8
162.05457	3.9
162.09192	1.6
164.07068	10.9
166.08638	32.2
172.03928	41.2
176.07022	1.9
181.15779	1.1
182.08173	7.1
184.09915	1.2
190.05038	6.2
190.22417	1.2
192.10173	1.9
197.10640	1.8
198.11569	4.0
199.12256	1.3
204.06549	100.0
206.08173	1.8
209.10867	1.8
210.11546	3.5
211.12341	6.3
212.13167	1.6
222.11456	1.5
223.08777	1.1
223.12276	5.9
224.09460	1.3
224.13072	1.9
225.10249	6.1
225.13936	1.4
226.11015	4.0
227.11812	3.9
229.13347	1.4
235.08578	3.1
236.09360	1.8
237.10199	8.9
237.13933	1.4
238.10983	5.0
239.11775	8.0
240.12399	1.2
243.11243	1.2
248.09537	2.9
249.10176	8.2
250.11005	6.3
251.08179	1.4
251.09023	1.3
251.11778	12.8
252.08957	1.9
252.12547	4.4
253.09682	2.4
253.13344	3.3
254.10541	1.4
255.11328	3.5
256.12067	2.8
257.12906	1.7
262.10931	2.6
263.11789	22.1
264.08786	2.5
264.12482	5.7
265.09988	5.4
265.13333	11.0
266.10464	6.4
267.11276	14.8
268.12122	1.5
269.12817	4.2
271.10880	2.3
271.14398	3.7
273.12405	3.1
277.09741	1.8
278.10507	4.4
279.11255	27.4
280.11963	2.2
281.12869	10.2
282.10086	2.8
283.10837	4.6
283.14215	1.0
284.11624	5.4
285.12372	17.5
287.13980	1.4
289.15552	2.4
291.11206	14.7
292.12051	4.2
293.09512	2.3
293.12747	13.9
295.10812	2.9
295.14154	1.3
296.11581	4.0
297.12317	33.8
298.13077	2.3
299.13788	4.9
307.10733	1.1
309.12329	31.2
310.13010	3.1
311.10272	3.1
311.13770	2.4
319.10764	11.7
321.12286	5.7
323.10434	5.5
323.13525	1.4
325.11810	14.9
327.13391	8.1
329.15213	2.2
337.11819	42.6
338.12338	2.9
339.13605	3.3
341.11459	2.0
355.12781	11.7
356.13727	1.5
357.14511	14.8
359.16077	2.3
369.14407	11.6
370.15128	1.8
371.16214	1.5
373.13879	16.8
385.47256	1.1
388.16171	1.2
392.19656	1.6
400.16400	1.6
402.17902	1.9
404.19919	1.6
406.17682	1.1
412.16580	1.2
416.19830	1.4
418.17340	1.3
422.20963	1.4
430.17471	7.5
432.19125	3.8
442.17505	2.3
444.18903	2.1
445.32269	1.3
446.20731	2.1
448.18591	19.2
449.19333	13.5
450.20105	11.6
460.18604	15.5
461.18924	2.0
462.20355	5.2
472.18661	1.2
474.20303	4.0
476.18033	4.3
477.18936	4.6
478.19739	4.7
480.21228	3.5
490.19724	28.9
491.20514	5.2
492.21289	15.9
493.21906	1.5
522.22351	91.7
523.22870	6.9
567.25281	1.2
595.25592	5.5
613.26501	38.2
645.28802	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	645.291
Annotation	Unknow
Peak:m/z	Relative Intensity
65.24271	1.6
67.05513	2.4
70.26012	8.1
79.05482	3.8
89.45033	1.9
91.05472	2.6
93.05766	2.0
93.07038	8.1
94.06554	12.9
95.07330	5.8
96.08115	18.6
97.06540	2.0
98.20789	2.1
103.05453	3.3
106.06538	4.3
108.04485	3.0
108.08117	25.4
109.08930	2.7
110.09675	29.8
116.04989	2.5
120.04491	5.4
120.08090	22.0
122.06013	15.1
122.09665	2.7
124.07560	15.6
132.08061	3.2
134.06030	3.3
136.07567	50.3
138.09123	43.4
144.04466	7.3
146.05994	13.6
146.09781	1.8
148.07573	26.2
150.09140	8.2
152.07045	30.3
160.03908	2.1
162.05518	2.8
164.07072	8.1
166.08621	63.1
172.03934	31.3
174.09215	2.8
176.07080	2.8
182.08159	2.4
182.22537	2.1
190.04984	26.2
197.10751	3.9
198.11459	5.7
199.12177	2.2
204.06555	43.4
205.06810	2.4
209.10741	3.7
210.11546	8.0
211.08598	2.2
211.12267	13.3
212.13098	4.9
213.10248	2.5
213.13873	2.1
218.08047	2.4
221.10677	3.2
223.08749	3.1
223.12343	13.1
224.09377	2.3
224.13147	1.9
225.10190	14.6
225.13937	2.2
226.10968	11.0
227.11804	6.0
229.13312	2.7
235.08646	2.9
235.12358	4.8
236.09468	2.8
237.10208	16.2
237.13786	3.1
238.11034	17.6
239.11758	15.4
241.13391	4.1
245.12953	2.0
246.07713	4.4
248.09401	3.2
249.10199	11.7
250.10989	10.9
251.08095	3.3
251.09041	2.6
251.11800	32.0
252.08800	3.0
252.12579	8.7
253.09781	6.7
253.13354	13.0
255.11340	5.9
256.12039	9.5
257.12857	4.4
262.10944	10.1
263.07797	2.7
263.08725	2.4
263.11780	34.4
264.08868	7.9
264.12543	8.3
265.09836	11.3
265.13290	14.2
266.10333	10.6
267.11270	34.5
269.12790	13.2
271.10995	4.4
271.14389	12.4
273.12335	7.7
277.09793	4.4
277.13284	3.2
278.10526	9.0
279.11227	56.9
280.12009	8.0
281.12839	19.4
282.13464	2.3
283.10748	9.7
284.11520	17.7
285.12289	67.4
287.13824	2.8
289.15576	3.6
291.11252	25.9
292.12045	5.3
293.12738	23.9
295.10803	4.8
295.14169	2.3
296.11447	11.7
297.12296	89.5
298.13074	5.3
299.13925	11.8
307.10754	4.6
309.12286	36.0
310.13022	8.1
311.10257	9.9
311.13696	3.9
312.10995	4.4
313.11804	3.6
319.10684	16.9
321.12308	26.5
323.10233	22.9
325.11792	29.3
327.13348	18.0
337.11774	90.1
338.12527	4.1
339.13416	7.3
341.11249	3.2
343.12943	3.4
346.19131	3.5
348.20697	2.2
355.12985	3.1
357.14490	12.9
358.15363	2.9
359.16055	3.2
362.18765	2.5
367.13089	3.1
369.14383	4.8
373.13934	3.1
374.18729	4.1
385.13858	2.7
390.17844	2.9
392.19809	4.5
400.16263	3.9
402.18192	5.2
404.19669	8.2
414.18512	2.8
418.17508	4.2
420.18817	3.9
421.20062	2.3
422.20712	3.5
430.17480	17.6
432.19107	13.9
436.18689	3.4
442.17923	4.1
444.19046	4.2
446.20749	8.4
448.18594	51.2
449.19403	42.2
450.20166	36.3
460.18649	35.4
461.19287	3.6
462.20303	8.7
472.18375	5.9
474.19977	10.3
476.18027	15.8
477.19052	14.1
478.19574	11.4
480.21460	2.9
490.19687	83.6
491.20453	14.1
492.21213	26.9
493.21698	2.8
510.86044	2.2
522.22314	29.5
523.23297	11.6
567.26227	2.9
595.25287	19.7
613.26550	100.0
614.26630	2.6
645.28870	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	645.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
55.05490	1.2
56.96544	0.9
57.03408	0.8
61.02888	0.8
62.37925	0.6
65.03918	1.1
67.05484	2.3
69.03417	1.0
69.07034	1.1
70.06583	4.6
71.04967	1.1
71.59596	1.3
72.08121	0.9
79.05468	2.8
81.03398	2.4
81.07027	1.7
84.04465	0.9
84.08103	2.3
85.02882	2.6
86.09686	2.3
91.05452	3.2
93.03374	1.5
93.07014	3.1
94.06557	3.5
95.04928	1.7
95.07331	2.3
95.08617	0.9
96.08109	4.4
97.02869	0.9
97.06522	1.7
103.40042	0.7
105.06992	1.3
106.06548	1.3
107.04942	10.5
107.07317	0.8
108.08122	4.7
108.08720	0.8
109.10074	0.9
110.09664	6.8
111.07996	0.7
114.01579	0.6
116.04969	1.2
119.08500	0.7
120.04430	1.8
120.08077	6.3
121.06478	0.9
121.10188	0.7
122.06004	4.6
123.05540	0.8
124.07566	7.4
129.10204	1.1
130.06479	1.5
134.06001	1.8
135.06793	0.9
136.07567	7.3
137.07896	0.8
138.09116	9.8
144.04408	1.4
144.08095	1.5
146.05991	26.5
147.08035	0.7
148.07549	2.3
150.05412	0.9
152.07033	2.2
154.08604	0.8
155.08560	1.3
157.08752	0.8
160.03987	0.9
160.07584	0.7
162.05437	2.1
166.08617	15.0
170.09613	4.1
172.03918	6.5
172.07574	1.4
172.11226	0.8
175.08614	1.9
184.07544	1.2
184.11177	0.9
186.09154	1.0
187.12270	4.6
190.04977	14.0
198.09122	22.5
200.09370	2.6
200.10925	1.3
204.06555	2.2
205.06815	1.1
212.10791	5.0
213.10097	1.4
215.11769	20.6
225.10217	1.5
226.08635	5.4
227.08127	0.9
227.11763	2.3
228.08813	1.2
229.09741	1.2
229.13322	1.4
231.11328	1.4
237.10155	1.1
239.07942	0.7
239.11629	1.3
240.10132	2.3
241.09645	2.1
241.13345	1.7
242.10484	3.3
243.11259	100.0
251.11554	1.1
253.09662	0.7
253.13321	1.6
255.11314	6.5
256.11938	1.0
257.12860	6.1
267.11118	1.6
269.12830	1.1
270.13077	1.5
271.10574	0.7
271.14410	1.9
279.11276	1.1
281.12604	1.4
284.11334	1.0
285.12302	99.0
286.12625	1.5
297.12277	1.1
299.13879	14.0
300.14615	1.2
301.11816	5.7
302.12646	1.6
303.13354	91.9
304.14023	0.9
311.05429	1.8
314.11862	0.8
325.11655	3.0
326.12125	0.9
337.11917	0.9
342.12357	0.9
343.12851	2.6
344.13278	0.9
357.14859	0.8
359.14969	0.8
370.15201	0.9
399.15652	1.3
400.15952	2.2
401.16272	0.9
405.09720	1.0
412.16385	1.3
416.16724	1.5
418.17313	2.8
430.17523	2.9
436.18521	2.1
442.81079	0.8
448.18176	2.8
458.17148	0.9
459.17163	1.4
460.17654	2.4
462.16595	1.5
474.16040	1.5
478.19632	1.5
483.21918	8.1
490.18716	1.4
491.19788	0.8
541.26422	0.9
565.24017	1.4
583.25519	11.5
613.25623	7.5
627.24060	1.6
628.46722	0.8
645.27051	30.0
651.11584	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.4
53.03947	1.1
65.18432	0.2
67.05500	0.3
69.07095	0.2
70.51728	0.2
73.02872	0.3
73.04005	0.2
77.03897	0.5
79.05492	4.2
81.07026	0.3
87.04456	2.6
89.06026	15.9
91.05478	1.7
93.07044	2.2
95.04967	2.3
101.71560	0.2
103.05460	5.0
105.07023	100.0
106.07365	1.1
107.07061	0.5
119.04925	0.4
119.08596	0.4
121.06496	11.9
129.06976	0.5
131.07027	0.8
131.08568	1.9
133.08592	9.6
147.08031	1.4
149.09660	0.3
165.09097	3.3
166.07806	0.4
175.09613	0.4
177.11234	2.3
209.11667	0.9
209.13345	1.4
221.13779	0.5
223.11234	0.3
225.12694	2.4
227.12788	1.6
229.37914	0.3
251.14293	2.6
253.16049	0.3
269.15356	2.1
271.15454	0.6
274.97507	0.2
283.46039	0.2
313.17960	0.6
315.18002	21.1
316.18405	0.6
327.17456	0.3
329.19049	0.9
331.18961	0.4
373.21616	0.6
419.24249	22.5
420.24808	0.6
440.45261	0.2
477.27722	0.3
523.30579	2.7
626.45728	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.4748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01860	2.0
55.05509	7.1
56.05033	2.3
57.03433	3.8
57.07074	16.6
58.06591	1.2
59.04478	0.6
65.03929	1.2
67.05499	13.9
68.05019	0.8
68.05846	1.2
69.03419	7.1
69.07069	8.3
70.06589	4.7
70.06920	0.8
70.07372	1.0
71.05006	2.2
71.08627	10.8
71.59956	1.2
72.04514	1.2
72.08145	3.7
73.06550	1.2
75.04463	0.7
79.05489	12.5
80.05031	1.5
81.03400	7.8
81.07050	19.0
82.06590	1.5
82.07390	0.9
83.04995	4.1
83.08606	5.7
84.04501	4.8
84.08134	2.2
85.02899	1.4
85.06557	1.4
85.10172	6.1
86.06062	29.8
87.04464	16.9
89.06017	8.0
91.05475	9.7
93.07043	12.2
94.06586	2.2
94.07393	0.9
95.04965	5.2
95.08603	16.1
96.08108	1.9
97.06499	3.9
97.10168	2.9
98.06053	23.1
99.08089	1.4
102.05524	1.1
104.07105	14.0
105.07015	11.7
107.04929	1.5
107.08593	4.6
108.08932	1.2
109.10157	4.6
110.06021	0.8
111.08082	1.1
112.07596	10.2
117.07032	2.4
119.08561	5.3
120.08908	1.5
121.06516	2.7
121.10149	7.9
122.10465	0.9
123.08057	1.7
123.11695	1.8
124.07614	3.2
124.12077	0.7
125.09621	1.2
125.72935	0.8
126.05511	2.8
126.09174	1.5
129.07063	1.7
131.08543	5.3
133.06503	1.5
133.08588	4.0
133.10126	3.6
135.07997	1.4
135.11690	2.3
136.07593	1.1
138.09108	1.2
138.12741	1.4
139.11142	0.9
140.07095	2.5
142.08650	3.1
143.08553	0.9
145.10114	1.8
147.11678	3.8
148.07545	1.7
149.09602	20.1
149.10707	1.3
149.13298	1.2
154.08714	1.1
157.10051	1.7
158.08110	4.7
159.11720	1.8
161.13306	0.8
163.11186	1.1
165.12712	1.5
166.12271	1.7
171.11761	1.1
175.11180	2.0
177.11177	0.8
179.14301	0.7
182.15422	0.8
184.13330	2.4
193.12186	5.5
194.15430	0.8
195.13867	1.5
206.15460	1.0
210.14902	5.4
211.13327	1.8
216.35559	0.8
224.16501	1.4
234.14909	1.1
250.18089	1.8
252.15924	6.8
260.16498	2.8
267.15891	14.0
268.19153	1.5
270.16989	1.7
273.18558	1.8
278.17474	9.3
278.22263	0.8
291.19531	1.3
292.19751	1.5
296.18494	4.3
313.27347	19.1
314.19510	2.0
332.18646	1.1
336.26053	1.4
344.20621	1.6
352.21365	1.3
362.22040	1.1
366.23889	0.9
370.22159	4.7
384.55408	0.8
388.23178	3.7
505.38943	6.8
582.43689	7.1
600.44690	17.9
608.44952	6.4
626.46167	100.0
627.46271	1.8
644.50885	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	643.4564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.2
55.01873	8.9
55.05257	2.2
55.05510	34.8
57.03437	9.6
57.07069	5.6
59.04983	1.9
62.06644	1.0
65.03929	5.4
67.05499	85.3
69.03423	2.4
69.07063	28.8
70.01846	4.3
70.02261	2.3
71.04980	5.8
71.08621	2.5
73.02906	3.7
73.06536	1.6
76.21346	1.2
77.03880	2.0
79.05487	64.7
81.03415	4.0
81.07050	100.0
82.07406	1.7
83.04971	7.4
83.08616	18.4
85.02895	2.4
85.06542	5.6
87.04448	6.5
89.06022	13.7
91.05473	70.8
93.07036	67.0
95.04950	17.2
95.08602	60.1
95.09232	1.8
97.02907	1.6
97.06533	11.4
97.10166	7.7
97.25413	1.2
99.08096	5.2
103.05470	3.5
105.07021	94.2
107.04936	9.8
107.08588	41.4
109.06517	13.6
109.10146	29.0
111.04350	1.3
111.08073	5.8
114.35151	1.3
115.05432	3.4
116.06259	1.4
117.06997	20.6
119.08575	63.4
121.06503	8.0
121.10136	31.6
123.08074	9.7
123.11699	11.6
125.09601	8.1
128.06239	3.8
129.06981	14.3
131.08557	37.9
133.06477	2.7
133.08627	6.4
133.10117	46.3
134.10486	1.7
135.08072	6.7
135.11685	21.0
137.09602	5.7
137.13298	1.8
139.11197	4.1
141.07051	3.2
142.07816	1.7
143.08542	12.8
144.09294	1.3
145.06479	2.0
145.10114	33.5
147.08017	4.3
147.11673	49.0
149.09615	8.0
149.13263	11.2
149.83237	1.3
151.11183	3.0
155.08545	4.3
157.10115	14.9
159.11674	25.8
161.09598	2.6
161.13234	32.3
163.07571	2.0
163.11166	6.5
163.14828	4.5
165.12747	4.8
167.08592	1.9
167.10706	1.6
169.10193	5.0
171.11665	17.2
173.09674	2.4
173.11768	2.9
173.13239	18.1
175.11195	4.2
175.14806	16.4
177.11282	2.7
177.12766	4.6
177.16328	1.4
179.08562	2.3
181.10030	2.8
181.12262	1.7
183.10236	1.6
183.11647	6.5
185.13258	8.6
187.11223	2.2
187.14771	5.5
189.09203	2.8
189.11182	3.1
189.12793	3.2
189.16385	3.2
191.10703	1.5
191.14276	1.8
193.12259	3.0
193.15846	1.3
195.11626	2.7
195.13777	1.3
197.13264	3.6
199.11211	1.3
199.14853	5.4
201.16377	3.8
203.14328	1.3
207.11765	2.0
207.13817	1.5
209.13423	2.0
209.15364	1.3
211.14850	2.8
213.16409	4.4
215.17989	2.9
217.16011	1.5
217.19653	2.2
223.14951	2.1
225.16464	1.8
227.12865	3.5
227.17952	1.8
229.14235	1.9
229.19530	3.3
231.20943	6.6
239.17990	3.5
241.19516	31.1
243.21094	3.3
247.20578	3.5
257.18988	10.7
259.20551	56.6
271.20242	1.7
273.18463	3.8
275.20050	41.1
277.21661	6.1
285.04874	1.4
289.21509	2.3
291.19537	4.6
293.21091	9.2
297.22037	1.5
311.23602	1.4
315.23163	7.7
331.22623	1.9
333.24222	56.0
335.25708	5.5
347.22021	1.8
349.23657	10.9
351.25308	2.8
358.04935	1.6
365.23474	1.9
367.24814	28.6
367.29449	2.2
506.04565	1.3
513.35199	1.5
515.37854	4.4
523.75525	1.2
527.37384	2.3
533.39746	3.9
545.37878	1.7
551.40607	4.7
607.43555	11.3
622.28650	1.3
625.44635	26.4
626.44788	1.7
643.22711	1.4
643.45654	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	643.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.7
53.03934	4.7
55.01878	7.1
55.05259	2.9
55.05508	37.8
57.03434	12.9
57.07055	4.7
59.04992	1.5
65.03925	5.1
67.05500	99.8
68.05865	1.4
69.03071	1.4
69.03426	6.0
69.07061	38.9
69.92014	6.3
70.06567	1.3
71.04990	6.9
71.08636	2.5
74.04250	1.2
75.82901	1.6
77.03945	1.7
78.68430	1.4
79.05486	71.8
79.05955	3.4
81.03416	4.7
81.07050	100.0
83.04993	7.7
83.08609	17.4
85.02900	2.0
85.06524	4.3
87.04485	1.5
89.06023	3.0
91.05473	88.0
92.05834	1.8
93.07037	71.6
95.04964	15.7
95.08599	64.5
97.02868	2.4
97.06517	9.8
97.10143	9.9
99.04468	1.6
99.08080	3.5
103.05469	3.5
105.07022	86.2
106.07368	1.4
107.04955	12.3
107.08583	43.9
109.06510	10.1
109.10154	32.3
111.08076	5.7
113.09692	1.6
115.05433	3.7
117.07004	25.5
119.08574	70.3
120.08852	2.1
121.06477	8.3
121.10135	34.4
123.08056	8.1
123.11714	7.7
125.09621	7.0
128.06201	4.2
129.05522	2.2
129.06998	15.7
130.07727	1.7
131.08559	44.4
132.09052	1.2
133.06494	3.2
133.08580	3.1
133.10121	53.6
135.08041	8.5
135.11678	20.8
137.09615	6.0
137.13361	1.7
139.11182	1.9
141.06979	3.4
142.07748	3.2
143.08572	17.3
145.06519	1.7
145.10114	33.8
147.08023	5.1
147.11678	47.8
149.09598	8.6
149.13269	13.9
151.11194	2.5
155.08536	6.8
157.10110	14.2
159.07986	1.6
159.11684	25.6
161.09636	4.7
161.13249	30.0
163.11200	7.2
163.14807	6.2
165.12756	4.9
167.08513	2.3
169.10121	6.1
171.10211	2.2
171.11682	17.8
173.11734	3.9
173.13263	17.4
175.11172	4.5
175.14836	17.1
177.12740	5.5
181.10107	2.9
183.07890	1.6
183.11649	6.7
185.13216	12.1
187.11142	1.7
187.14854	7.5
189.11179	2.6
189.16444	2.0
193.12248	2.6
195.11708	2.9
197.13284	4.2
199.14821	7.9
201.12827	1.9
201.16367	3.9
203.14302	3.9
207.11647	2.0
207.13785	1.7
209.13232	1.9
211.14850	3.4
213.16373	5.1
215.17859	3.6
217.19525	2.0
223.14839	2.3
225.16338	1.7
227.12772	2.9
229.14273	2.8
229.19574	2.2
231.21138	5.3
237.16302	1.9
239.17918	5.6
241.19490	29.3
241.21712	2.6
247.16954	2.0
247.20508	3.5
257.19070	11.1
259.20554	60.5
261.21994	2.3
267.15631	1.7
273.18427	6.3
275.20056	35.3
276.20337	1.8
277.21658	4.7
289.21530	1.7
291.19580	4.1
293.21027	6.0
302.53259	1.6
309.87457	1.5
315.23172	6.4
333.24197	50.0
335.25757	5.4
349.23660	7.2
351.25128	2.0
365.23352	1.9
367.24759	29.5
421.62030	1.5
423.32404	1.7
479.85046	1.5
486.20374	1.6
515.37689	6.9
529.87158	1.8
533.39636	4.1
551.40686	5.0
565.24524	2.2
607.43536	16.0
619.46411	1.5
625.44580	26.9
643.30322	12.9
643.45844	11.6
644.32703	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4564
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.3
53.03938	4.4
55.01870	11.5
55.05511	18.6
57.03428	19.8
57.07068	2.1
57.40356	1.1
65.03921	3.7
66.97076	1.5
67.05499	59.0
69.03422	2.5
69.07061	13.9
70.66058	4.4
71.04981	2.6
72.30228	1.2
79.05489	41.0
81.03397	2.5
81.07049	48.1
83.04973	4.0
83.08622	8.2
83.16547	1.4
85.06537	10.1
89.06004	2.2
91.05470	34.0
93.06567	0.9
93.07034	46.2
95.04963	48.9
95.08038	2.3
95.08595	27.8
97.06534	7.2
97.10157	6.6
99.08081	1.3
103.05434	1.3
105.07014	29.1
107.04951	9.0
107.08584	26.3
109.06506	60.4
109.10159	12.0
111.08064	2.4
113.05997	28.4
116.06271	1.4
117.07034	13.0
119.08575	14.0
121.06484	5.8
121.10116	13.6
123.08053	4.8
123.11694	2.5
125.09618	4.4
128.06229	2.0
129.07005	7.7
130.07765	1.7
131.08557	18.1
133.06459	3.8
133.10124	12.3
135.08046	40.2
135.11708	10.0
137.09612	2.3
141.06924	1.3
143.08536	7.1
145.10097	15.2
147.08023	4.5
147.11646	4.5
149.09616	5.5
149.13252	4.0
151.11217	1.7
153.09094	1.5
155.08580	1.3
157.10127	6.3
159.08067	3.1
159.11691	8.6
161.09605	9.5
161.13255	3.1
163.11180	3.5
165.09102	2.3
169.10101	2.1
171.11693	4.5
173.09596	1.6
173.13255	4.9
175.11168	3.5
175.14873	2.3
177.12769	3.9
179.14317	1.8
183.11641	3.4
185.13260	3.0
187.14819	1.7
189.11188	3.0
195.13753	2.3
199.14810	4.6
201.12654	2.9
217.15875	14.0
219.13792	2.7
223.13255	2.2
227.12810	4.2
233.15257	1.5
237.16527	2.1
245.18880	2.2
255.17352	3.8
261.22180	3.0
273.18451	37.4
275.19971	2.8
291.19519	100.0
292.19736	2.5
295.18393	1.6
309.20618	2.2
335.25772	38.4
347.22137	4.1
365.23148	14.0
385.60889	1.3
567.39386	1.7
607.43182	5.4
625.44568	38.4
626.43811	1.8
643.44495	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	2.3
53.03939	4.9
55.01860	6.8
55.05262	2.0
55.05506	32.0
57.03442	12.5
57.07060	5.1
59.04979	2.1
61.02909	1.6
63.41705	1.4
65.03931	4.1
66.04733	1.3
67.05498	88.7
69.03404	3.8
69.07063	29.0
69.25754	5.0
69.26172	13.2
71.04975	6.6
73.02889	1.9
73.84896	1.4
79.05485	65.6
81.03403	6.6
81.07047	100.0
82.07386	2.2
83.04971	12.6
83.08597	16.9
84.76221	1.3
85.06522	5.4
86.09710	1.4
87.04488	2.7
89.06021	2.5
91.05470	77.9
93.07034	69.2
95.04962	18.0
95.08594	59.0
95.09094	1.1
95.09216	1.7
97.02859	1.8
97.06518	8.9
97.10159	7.7
99.08071	4.4
103.05434	2.3
105.07018	72.0
107.04948	10.8
107.08581	38.0
109.06502	11.5
109.10139	28.1
111.08058	6.8
117.07015	21.1
119.08566	62.9
121.06480	4.3
121.10119	30.5
123.08078	7.1
123.11676	12.7
125.09618	6.2
127.07542	1.6
128.06171	2.5
129.06995	14.9
131.08556	38.5
133.10121	47.9
135.08057	7.6
135.11673	21.4
135.51091	1.4
137.09583	6.7
137.13290	2.0
139.11255	1.5
141.06969	3.0
143.08513	13.6
145.10095	31.7
145.57196	1.5
147.08015	2.6
147.10493	2.5
147.11664	48.0
149.09618	9.7
149.13266	10.7
151.11169	3.6
155.08536	3.8
157.10135	14.6
159.08031	2.9
159.11696	21.6
161.09555	3.5
161.13229	27.0
163.11179	6.9
163.14790	5.2
165.12729	5.8
169.10098	5.3
171.11674	11.7
173.09723	2.4
173.11853	2.8
173.13249	13.9
175.11119	4.4
175.14783	12.4
177.12688	5.1
181.10124	2.7
183.11658	6.3
185.13226	12.1
187.11140	3.1
187.14810	6.2
189.11208	2.0
189.12766	4.5
193.12257	1.9
195.11696	1.9
195.13585	1.8
197.13272	4.5
199.14793	6.9
201.16507	2.0
203.14354	2.1
209.13226	1.9
211.14812	2.9
213.16374	3.8
215.14455	1.8
215.17850	3.2
217.15938	2.1
217.19492	2.0
225.16397	1.9
227.12753	2.9
229.19492	2.8
231.17442	2.3
231.21114	4.8
239.17949	3.1
241.17229	2.2
241.19498	28.6
247.20508	3.5
257.18961	10.0
259.20554	51.3
273.18484	3.4
275.20013	47.6
276.20578	1.7
277.21561	5.3
289.21518	1.7
291.19452	2.7
293.21024	11.6
315.23233	3.5
325.15680	1.7
333.24170	37.2
335.25769	4.3
347.22336	1.6
349.23727	9.4
351.25394	4.0
367.24731	27.9
515.38489	2.8
527.37885	1.8
533.39862	4.8
545.38049	2.7
551.40662	4.3
607.43408	12.0
625.44580	23.0
643.45642	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	643.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23773	0.3
55.05504	0.5
58.99852	0.8
62.22259	0.3
67.05484	0.7
67.13953	0.3
71.59864	0.4
77.00513	0.5
77.00909	6.7
79.05476	0.9
81.07043	1.1
85.80863	0.3
86.09750	0.3
91.05462	1.0
93.07040	0.5
95.01942	6.2
95.04884	0.3
97.10137	0.5
105.07022	0.8
110.64815	0.3
119.08562	0.9
123.42623	0.3
125.04472	0.3
129.60349	0.3
131.01930	0.4
131.08536	0.5
133.03461	0.3
143.08554	0.4
145.10106	0.6
155.05542	0.3
161.06624	0.4
173.06520	0.3
178.37737	0.3
179.07635	0.4
179.09117	0.4
183.08633	0.3
185.06467	0.3
187.08173	1.0
191.07581	0.3
195.08754	0.4
199.08127	0.4
201.09654	2.9
201.11311	0.5
203.09300	0.4
205.09039	0.6
205.10771	0.8
209.10278	0.4
213.09604	0.7
215.09363	0.6
215.11203	2.0
217.10675	1.7
219.10713	2.0
223.11783	1.9
225.09738	0.8
227.11249	1.1
229.12756	0.3
231.12280	1.2
233.10057	0.3
233.12276	0.6
235.11769	1.8
237.13367	0.6
239.11218	1.6
241.12820	4.6
243.10721	0.8
243.14488	0.4
247.08205	0.3
247.11743	0.5
249.13261	0.7
251.11252	0.5
253.12862	2.3
255.14400	0.7
257.12268	2.2
261.13290	2.0
267.14413	1.0
269.12170	0.4
275.14944	1.1
277.12897	0.4
277.16379	0.6
279.14542	1.1
291.14716	0.4
291.18140	0.5
293.15903	0.8
295.17435	0.4
297.15778	0.3
309.19055	0.3
313.16324	0.6
315.18018	20.9
316.18192	1.3
332.20862	0.5
333.19086	100.0
334.19354	3.8
338.19562	0.4
349.16876	0.5
351.20160	19.6
352.20377	0.9
356.20694	9.9
356.24521	0.2
357.20981	0.6
374.21628	0.9
397.23056	0.3
578.86871	0.3
607.38483	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	643.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96391	0.4
53.03868	0.3
55.05417	1.1
55.05661	0.5
58.99795	0.8
60.62568	0.4
65.03850	0.4
67.05399	2.2
69.03337	0.5
69.06962	3.7
69.84045	2.2
70.06501	0.4
72.84283	0.3
74.50982	0.3
77.00796	9.7
77.01287	1.0
78.86417	0.4
79.05376	2.7
81.03316	0.6
81.06937	2.4
83.04881	0.6
83.08537	0.8
91.05362	3.4
93.02869	0.4
93.06927	1.6
95.01823	9.2
95.02479	0.7
95.04877	0.7
95.08481	1.8
97.10086	0.4
98.21529	0.5
100.02383	0.4
103.02361	0.4
105.07009	2.4
107.04813	0.4
107.08469	1.2
109.06432	0.6
109.10085	0.7
115.02279	0.5
117.06886	1.2
118.03432	0.6
119.08446	1.6
121.06392	0.8
121.10072	0.8
124.08553	0.8
125.09482	0.4
127.03773	0.6
129.03914	0.4
131.01843	0.4
131.08414	1.5
133.10060	0.8
135.11554	0.5
138.10172	0.7
139.05994	0.6
141.52570	0.4
143.08493	0.6
145.09995	1.3
146.87781	0.4
147.11566	0.7
149.02815	0.8
157.10066	0.7
159.04893	0.7
159.11618	0.6
169.06987	0.6
171.04868	1.5
171.11633	0.5
173.06465	1.3
183.08542	1.0
185.06467	0.5
187.07993	1.5
191.07489	0.8
191.11287	0.5
195.08545	0.9
199.08009	1.1
201.07811	0.7
201.09689	10.4
203.09055	0.5
205.09082	1.1
205.10753	0.7
207.04865	1.2
209.10052	1.0
213.09598	2.0
215.11258	2.9
217.10725	1.9
219.08698	0.7
219.10712	6.5
219.14175	0.4
221.06487	1.1
221.10080	1.3
223.11668	1.7
224.11349	0.7
225.05978	1.0
225.09602	1.2
227.11194	4.5
229.12724	0.8
231.10451	0.7
231.12320	1.1
233.10210	0.5
233.12216	0.9
235.11783	2.2
237.13225	1.1
239.07635	0.5
239.11214	8.2
241.12814	4.1
243.10477	0.8
243.12421	0.8
243.14362	0.9
245.10001	0.6
245.12222	3.7
247.11710	0.8
249.13264	1.5
250.12891	0.4
251.11195	0.7
253.12813	4.1
255.14372	1.1
257.12274	14.4
259.11679	0.9
261.09299	0.5
261.13284	4.1
262.12753	1.3
263.14969	1.8
264.11917	0.8
265.12616	0.9
267.14246	1.9
269.12320	0.6
271.13730	0.9
273.13245	0.6
275.14810	1.5
275.19788	0.5
277.13065	1.1
277.16385	0.9
279.14352	2.2
279.17026	0.4
280.14014	0.6
281.12402	0.6
281.15894	1.6
282.13083	0.8
283.13818	0.6
284.15201	0.4
291.14395	0.7
291.18069	0.5
293.15912	0.6
297.16776	1.3
305.19806	0.5
309.19144	0.5
313.16388	0.6
315.18008	23.6
316.18134	0.8
333.19055	100.0
334.19257	2.0
338.19565	0.4
348.14703	0.7
350.16742	0.5
351.20126	59.6
352.20358	1.3
356.20651	11.3
357.20850	0.5
369.21161	0.7
374.21741	7.8
396.16727	1.8
449.65503	0.4
527.32251	0.5
607.38489	0.8
625.39661	0.6
643.28357	0.9
643.41638	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89820	0.4
55.05506	0.5
56.77866	0.4
68.57614	0.4
77.00922	0.4
79.05471	0.5
81.07074	0.8
110.73884	0.4
121.10183	0.4
167.88239	0.4
203.05280	2.3
223.11856	0.6
239.11465	0.7
241.13316	1.0
269.12671	0.9
304.63995	0.4
315.18048	2.0
333.19186	5.8
351.20325	3.2
356.20505	1.0
369.21133	0.7
463.31842	23.8
464.31497	1.0
505.33118	0.4
611.25098	1.0
626.03888	0.5
643.38104	100.0
644.38013	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	643.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.9
58.99857	3.1
61.30307	0.7
67.05495	4.3
69.07044	2.2
69.85053	1.5
69.85462	3.9
77.00900	14.4
79.05486	4.3
81.03377	1.0
81.07057	5.9
85.18922	0.8
90.22153	0.7
91.05482	3.9
93.07047	3.6
95.01938	11.8
95.04936	1.3
95.08591	2.5
97.06516	1.1
97.10138	1.4
100.02467	1.2
103.02417	0.9
105.00341	0.8
105.07029	3.6
107.04980	1.3
107.08597	2.3
108.32947	0.7
109.10183	1.9
118.03535	0.9
119.08581	2.1
121.10115	1.5
124.79559	0.7
129.03922	0.7
131.01913	2.3
131.08582	1.9
133.03424	0.8
133.10141	1.7
135.11649	1.0
141.03969	2.4
142.43607	0.8
143.05681	0.8
143.08530	1.6
145.03474	2.4
145.10098	1.1
147.05104	1.0
149.02965	1.1
155.05569	1.4
157.03519	1.2
157.10158	1.1
159.05048	2.7
159.11707	1.3
161.06604	1.0
167.05524	1.2
169.07123	2.4
171.05029	2.7
173.06599	4.7
173.13141	1.3
175.04408	0.8
176.52678	0.7
181.07069	1.5
183.08719	2.2
185.06621	1.4
187.08131	8.8
191.07626	3.4
195.05072	1.1
195.08664	2.3
197.10284	2.5
199.08144	3.2
201.09706	17.8
203.07591	1.2
203.09251	1.1
204.68037	0.8
205.09167	3.6
207.05147	1.4
208.05824	1.0
209.10208	2.3
211.08112	1.0
213.06065	1.0
213.09703	4.9
215.09190	2.5
215.11298	11.8
217.09171	0.8
219.10791	15.3
221.06635	2.4
221.10269	2.7
223.11803	4.8
224.11215	1.4
225.09726	2.0
227.11230	9.1
229.12840	1.8
231.10675	1.0
233.10205	5.3
233.12331	3.5
235.11809	2.9
237.09785	1.1
237.13234	1.5
239.07649	1.3
239.11267	14.4
241.12840	8.5
243.14333	2.0
245.10162	1.1
245.12338	1.3
247.11736	2.4
249.09782	3.5
249.13330	1.2
251.11275	27.4
253.12840	19.2
255.14609	3.6
257.12320	29.5
261.13373	1.0
262.12808	1.0
263.11340	4.9
263.14609	1.1
264.11923	1.5
265.12857	2.7
267.10770	12.1
267.13864	1.0
267.14716	1.0
269.12329	61.0
270.12613	1.0
271.13898	13.4
273.16986	0.8
274.12909	3.0
275.14899	2.3
276.14395	1.3
279.14520	1.3
281.12393	4.6
282.13022	1.3
283.13940	1.7
285.11850	1.6
289.16302	1.8
290.12302	1.4
291.14316	1.9
291.17996	4.3
292.13855	4.3
293.15948	2.4
294.15594	0.9
297.16739	1.7
309.15485	2.8
309.19156	2.5
313.16510	3.2
315.18011	20.8
329.55853	0.7
330.40744	0.9
333.19073	65.3
334.19388	1.2
338.19568	1.6
347.04401	1.0
351.20142	100.0
352.20422	1.7
356.20642	5.8
369.21252	1.6
374.21707	12.9
433.24213	3.2
447.25809	16.3
463.24966	1.0
527.32141	2.6
545.33209	5.3
643.31793	1.5
643.40552	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	643.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03978	0.6
55.05502	0.8
56.96526	0.6
59.68145	0.6
65.03934	2.0
67.05507	3.0
69.03423	0.9
70.06580	2.2
71.04980	0.7
71.59673	1.2
79.05496	2.4
80.04998	0.8
81.03407	1.5
81.05799	0.6
81.07059	2.5
82.06579	0.9
84.08126	1.3
85.02906	1.1
86.09689	1.2
91.05482	2.3
92.04983	1.0
93.05786	1.0
93.07038	3.8
94.06564	6.3
95.04965	1.9
95.07346	2.4
95.08627	0.7
96.08131	7.4
97.02865	1.1
103.05455	1.4
105.06977	1.5
106.06558	1.7
107.04925	4.3
107.07320	0.9
107.08612	1.1
108.04495	3.5
108.05123	0.7
108.08102	11.8
109.10194	1.1
110.09671	12.6
116.04979	2.3
118.06529	1.2
120.04475	4.9
120.08085	8.4
121.06531	0.7
122.06047	5.4
124.07580	7.4
124.79684	0.7
131.07376	0.6
134.05997	3.8
136.07561	10.5
138.05530	0.9
138.09135	14.5
144.04454	6.2
146.05962	6.2
148.07520	3.8
152.07100	2.1
156.47295	0.6
158.09697	0.7
160.03943	3.6
161.07214	0.9
162.05492	5.0
164.07109	2.9
166.08620	16.3
166.09917	1.1
167.07132	1.0
170.09705	0.8
172.03925	25.9
172.07581	1.8
174.05540	1.8
176.07034	3.5
178.04968	0.7
182.08327	0.8
182.09721	1.3
184.09920	1.0
184.11403	0.7
186.54597	0.8
189.69298	0.7
190.04982	22.8
196.09938	1.2
197.10770	2.9
198.09389	0.7
198.11446	0.7
199.08659	0.8
199.12325	2.9
204.06546	44.6
209.10797	2.7
210.09180	1.9
210.11388	1.2
211.08601	5.0
211.12231	1.1
212.09502	2.4
213.10268	1.4
214.10846	0.7
215.40331	0.6
221.06972	0.7
223.08728	1.3
223.12291	1.6
224.09422	2.4
225.10208	12.4
225.12352	0.8
226.11026	2.2
227.11763	15.7
227.13887	1.0
233.10683	1.4
235.08751	1.5
236.09526	2.3
237.10193	6.9
238.11018	1.9
239.08209	0.8
239.11781	5.2
241.09749	2.2
241.13379	1.9
243.11270	0.8
245.12759	1.0
247.08633	1.2
249.10176	4.2
250.11099	1.7
251.08229	1.6
251.11775	3.7
252.09071	1.3
253.09647	7.9
253.12463	0.6
253.13354	0.8
255.11360	2.6
261.10242	1.5
263.08212	2.0
263.11813	2.9
264.08829	4.0
265.09799	3.8
265.12372	0.6
266.10632	1.7
267.11285	4.7
269.12845	20.2
271.10748	10.5
272.12790	1.5
273.09698	1.2
273.12323	7.6
274.11005	0.8
277.09839	3.3
277.37415	0.7
278.10406	1.3
279.08157	1.1
279.11224	6.5
280.11890	0.8
281.09399	1.5
281.12903	1.9
282.10065	1.0
283.10745	7.5
284.11520	4.8
285.09744	0.9
285.12402	6.8
286.13101	1.7
287.13885	18.0
289.09543	1.0
290.76328	0.7
291.11337	1.3
293.09326	1.6
293.12854	1.4
294.10019	1.7
295.10861	2.7
296.11453	1.0
297.12366	9.5
298.13687	0.7
299.11237	0.7
299.14087	5.2
300.11548	1.7
302.13177	1.8
304.14166	0.9
305.09439	0.9
307.10812	2.0
309.12390	1.9
311.10385	1.1
311.14566	1.2
312.11249	0.9
312.15005	1.7
313.12283	2.5
314.12997	2.8
315.13818	1.9
316.11221	1.3
316.14542	2.4
321.12186	1.3
323.10254	9.1
325.11798	23.5
326.12723	2.6
326.16541	1.7
327.10196	1.0
327.13541	5.6
327.17352	1.1
328.10867	3.9
328.14523	4.2
329.11533	1.3
329.15271	1.4
330.12436	1.3
330.16013	1.8
331.16913	2.2
335.10315	2.2
336.10916	1.1
337.12128	1.3
339.13535	9.0
340.10864	2.1
340.14578	1.5
341.11743	3.1
341.15540	0.9
342.12442	9.3
342.16089	1.6
343.12918	11.2
344.13940	1.1
354.12195	1.5
354.16040	2.2
355.12912	4.4
355.17044	1.3
356.13940	7.0
356.17807	1.0
357.14496	10.0
358.15594	5.4
360.17178	0.8
365.11194	2.2
367.12927	5.1
367.58261	0.7
368.13998	1.0
370.11752	0.9
370.15656	6.1
371.16434	0.7
372.13367	0.8
372.17493	1.1
377.17740	1.6
378.18274	1.3
380.14105	1.8
382.11725	5.2
383.12601	3.2
384.13162	4.6
384.17480	0.8
385.14139	3.1
386.14865	2.1
386.19260	3.0
388.16666	1.5
390.18262	3.7
394.15518	1.4
397.14758	1.3
398.14960	19.3
399.15744	28.0
400.16727	3.5
401.13660	0.9
402.18362	1.1
404.16122	6.0
412.16562	1.7
414.18152	5.0
416.15994	18.7
417.16034	1.1
422.17178	3.5
423.23764	0.8
428.10797	1.1
428.15967	4.3
430.17636	3.7
440.15988	8.0
446.17093	21.0
448.18750	2.2
458.17062	50.2
459.17404	1.2
460.18839	1.7
465.24692	1.4
478.19638	2.5
488.18094	2.6
490.19681	10.2
509.23575	6.9
514.22742	0.7
520.12964	1.1
520.20752	17.0
521.21301	1.4
522.22260	2.4
541.24438	0.7
551.23016	0.9
565.24390	2.1
567.25696	3.0
569.23987	10.5
583.25275	3.5
593.23895	10.4
611.24945	100.0
612.25348	2.5
626.24158	0.9
643.28204	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74259	0.6
55.01878	0.7
55.05505	1.1
56.64851	0.6
56.96565	0.9
62.16427	0.7
65.03944	0.9
67.05490	2.7
69.07060	1.0
70.06590	1.7
71.33629	1.4
73.02906	0.9
79.05490	2.7
80.05009	1.2
81.03432	1.9
81.07068	0.9
82.06570	1.2
85.02917	1.1
86.09673	0.9
91.05487	2.4
93.05747	0.9
93.07047	3.7
94.06561	3.7
94.13979	0.6
95.04976	1.4
95.07340	3.4
95.08605	0.8
96.08131	8.1
97.02914	0.7
103.47564	0.7
107.04963	2.3
107.08601	1.0
108.08110	8.2
110.09677	12.7
117.07076	0.7
119.08584	0.8
120.04496	1.3
120.08115	9.1
121.06469	0.7
122.06029	1.9
124.07601	2.9
133.10092	0.7
134.06052	1.3
136.07578	9.8
138.09137	14.8
146.09680	0.7
148.07539	2.8
150.09171	0.8
152.07121	1.1
154.05093	0.7
160.03966	0.8
166.08627	16.6
172.03905	4.6
190.04982	2.7
199.12366	0.7
204.06558	8.6
209.10789	1.5
210.11555	0.8
211.08740	1.4
212.09407	0.9
219.09221	0.8
221.10748	1.9
222.11389	1.1
223.08684	1.4
225.10309	3.0
227.11761	3.3
233.10770	1.1
235.08629	6.9
235.12398	1.4
236.09525	2.6
237.10248	9.6
238.11012	6.3
239.11732	4.6
247.08603	5.3
248.09451	5.1
249.10245	14.0
250.11018	18.8
251.08051	1.2
251.11798	15.8
252.12566	1.9
253.09877	2.5
253.13489	1.4
255.11366	1.0
261.10187	8.7
262.11047	4.8
263.08380	2.7
263.11795	37.0
264.09000	2.8
264.12390	3.5
265.09750	6.2
265.13345	5.4
266.10312	1.3
267.11288	3.3
269.12897	2.7
271.10733	1.6
273.12482	1.3
275.11932	0.7
276.08820	0.8
277.09705	8.9
278.10574	2.9
279.11279	30.1
280.11850	1.8
281.09470	1.2
281.12897	3.7
282.10059	3.5
283.10956	2.3
283.14474	0.7
284.11655	1.1
285.12424	1.6
287.13907	3.1
289.09763	3.8
289.12711	0.7
290.10367	0.9
291.11295	13.1
292.12103	2.4
293.09503	1.3
293.12872	4.2
294.09985	1.1
295.10794	4.5
295.14014	0.9
296.11615	2.4
297.12390	4.7
299.13937	1.4
307.10745	12.1
307.13965	0.8
309.12323	8.6
311.13980	4.1
313.12848	0.8
314.12878	0.8
319.10678	3.9
321.12433	1.8
323.10745	4.1
323.13931	4.1
325.11841	9.0
326.12958	0.8
327.13562	2.0
327.17331	0.8
328.10870	1.0
328.14508	1.1
329.15552	1.3
330.16153	1.5
335.10287	9.8
336.11179	2.4
337.11816	24.9
339.13635	2.3
340.14343	1.1
341.15323	0.9
342.12357	1.5
342.16098	2.7
343.13028	1.3
354.16202	1.5
355.12872	14.4
355.16791	0.9
356.13864	2.4
356.17715	1.5
357.14450	20.7
357.18695	1.3
358.15494	1.7
367.12875	20.3
367.17361	1.3
368.13864	2.6
369.14474	7.7
370.15530	3.0
372.17249	1.1
375.19592	1.0
384.12805	0.9
386.14816	1.4
390.18137	0.9
398.14615	3.3
399.15689	4.5
400.16937	1.1
402.18231	1.0
403.18961	5.7
404.15659	1.0
414.18246	1.2
416.15765	3.1
430.17569	1.8
432.19250	1.5
440.16302	1.0
444.18811	1.0
446.16656	3.3
447.18115	0.8
448.18353	1.0
458.17041	7.0
460.18747	2.2
462.02939	0.8
472.18378	1.3
478.19617	2.0
488.18124	2.5
489.18695	1.0
490.19672	12.8
492.21292	2.0
502.19815	1.9
504.21310	2.5
520.20795	100.0
521.21533	13.5
522.22357	71.1
523.22827	1.0
569.24066	2.0
593.23535	1.4
611.25012	16.1
625.26819	0.8
643.33337	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.5
67.05500	1.7
67.37338	0.4
70.36002	1.9
75.57691	0.4
79.05512	2.3
80.05025	0.4
81.05756	0.6
81.07061	1.1
82.06566	1.4
89.03911	0.8
91.05473	1.8
92.04977	0.8
92.23167	0.5
93.05764	1.0
93.07056	3.0
93.07529	0.4
94.06560	6.2
95.04971	1.5
95.07335	2.4
95.08571	0.7
96.08128	7.2
97.06535	0.8
103.05437	0.6
106.06548	1.8
107.04967	0.7
108.04492	2.7
108.08118	11.2
110.09676	9.8
110.10374	0.7
114.12275	0.5
116.04974	3.5
118.06533	1.0
120.04446	4.6
120.08105	8.6
120.08926	0.7
122.06023	6.0
124.07594	8.2
132.04402	0.6
132.08109	0.5
134.06010	4.7
135.06876	0.5
136.07564	10.0
138.05489	0.5
138.09129	11.8
144.04443	6.7
146.06000	6.6
148.07571	3.9
150.05511	0.5
152.07074	1.9
160.03940	3.2
162.05478	4.6
164.07071	2.2
166.08636	13.0
167.07266	0.7
172.03925	27.3
172.07590	1.3
174.05507	2.4
174.09172	0.9
176.07076	4.3
178.05089	0.5
182.08331	1.0
182.09746	1.0
183.09157	0.6
184.09929	1.2
186.05376	0.6
186.09206	0.9
188.07060	0.6
188.09377	0.7
190.04976	21.3
191.05304	0.5
192.06485	0.6
195.09134	0.9
196.09825	0.7
197.10756	2.9
198.09312	0.5
199.08690	1.1
199.12357	2.1
204.06548	42.1
209.10762	1.9
210.07643	1.0
210.09418	0.9
210.11342	0.7
211.08571	3.6
211.12166	0.6
212.09328	2.2
213.10263	1.7
215.15108	0.6
221.10669	1.1
222.07845	0.6
223.08681	1.4
223.12390	1.0
224.09445	2.0
225.10201	9.8
226.08780	0.6
226.10980	1.4
227.11769	17.3
229.13338	1.0
233.10806	0.7
235.08763	1.1
236.09305	2.2
237.10213	3.7
238.07405	0.6
238.10840	2.3
239.08171	0.5
239.11760	4.1
241.09776	2.3
241.13286	1.1
243.11354	1.0
245.12776	0.6
249.10251	1.8
250.11121	0.9
251.08246	1.0
251.11749	3.1
252.08925	0.7
253.09706	7.2
255.11368	2.1
257.12943	0.6
263.08191	1.7
263.11801	0.8
264.08878	3.9
265.09763	2.2
266.10416	0.9
267.11261	3.9
269.12827	19.1
270.10037	1.0
271.10797	10.1
273.12350	8.1
277.09714	2.2
278.10556	0.7
278.68283	0.6
279.11292	3.4
281.09302	0.8
281.12701	1.2
282.09836	0.6
283.10754	6.3
284.11505	4.6
285.12296	6.7
286.13153	1.5
287.13904	17.8
287.17136	0.9
289.09811	0.7
289.13272	0.8
291.11328	0.6
293.09250	0.9
294.10059	0.9
295.10709	2.4
297.12332	9.8
298.10699	0.8
299.13916	4.4
300.11545	1.1
300.14850	1.0
301.12360	1.0
302.12949	1.0
307.10773	1.3
310.61508	0.6
311.14713	0.8
312.11896	0.8
312.15073	2.5
313.12479	2.1
314.12799	3.4
315.13712	2.0
316.11142	0.8
316.14484	1.8
321.08826	0.6
321.12167	0.8
323.10263	6.6
324.11313	1.2
325.11813	24.1
326.12927	0.8
326.16544	1.8
327.13458	3.8
327.17203	1.0
328.10800	3.9
328.14563	2.7
329.11581	1.1
329.15250	1.7
330.12390	1.2
330.16104	3.0
331.13318	0.7
331.16663	2.2
337.11795	0.5
338.13055	1.1
339.13550	1.8
340.14496	1.5
341.11627	2.2
342.12283	9.6
342.16089	1.5
343.12930	9.4
343.16516	0.4
344.13846	1.7
344.17499	0.8
352.14413	0.8
354.12115	2.3
355.13516	2.0
356.13919	7.6
357.14487	9.7
358.15533	3.8
365.11475	1.3
367.13205	1.3
368.13864	0.7
368.17700	0.8
369.11017	1.1
369.15231	0.7
370.11914	0.7
370.15671	5.8
371.16547	1.4
372.13135	0.8
372.17188	1.5
378.18237	1.3
380.14227	1.1
382.11813	5.2
383.12561	3.5
384.13205	4.6
384.16760	0.7
385.14038	2.9
386.14279	2.8
386.19131	3.7
388.16708	0.9
390.18106	3.4
394.15503	1.2
396.17227	0.9
397.14505	0.8
398.15009	21.8
399.15741	29.8
400.16467	1.8
401.13623	1.4
402.18335	2.2
404.15979	6.2
412.16669	3.6
414.18265	4.7
415.15598	0.6
416.16006	20.9
417.16748	1.5
422.17316	2.6
428.15942	2.9
430.17563	3.1
434.17221	0.6
440.16016	6.4
446.17078	19.5
447.02649	0.5
448.18643	1.2
458.17084	46.3
460.18958	1.1
478.19827	1.9
490.19684	9.2
520.20947	0.7
537.80743	0.6
539.26825	0.8
541.24542	0.9
565.24237	2.7
567.26343	3.1
569.23828	9.1
575.22687	1.3
583.25195	3.7
593.23840	10.6
611.24957	100.0
612.25220	0.8
643.26733	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	642.296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.1
55.05494	2.3
56.05014	0.9
57.03419	2.0
57.52003	0.6
58.99567	0.6
60.04502	0.6
61.02922	3.2
63.99076	0.5
67.05499	3.4
69.03414	1.6
69.07061	2.3
69.86792	3.5
70.06589	12.7
71.04978	1.5
71.06903	0.6
72.08131	2.2
73.02902	2.1
75.62244	0.5
76.02217	6.5
77.22581	0.6
79.05489	7.2
81.03413	3.2
81.07061	5.5
82.06559	0.7
83.04953	1.1
83.06093	0.8
83.08606	2.8
84.04482	2.8
84.08150	3.0
85.02895	5.7
86.09688	3.7
86.98981	0.5
87.04443	1.0
87.05566	0.6
91.03929	3.6
91.05473	2.6
93.07039	9.0
95.04953	2.6
95.06075	2.0
95.08598	11.3
97.02876	3.8
97.06531	2.5
98.06052	0.7
98.97504	0.6
99.04439	1.7
103.05464	3.6
104.05835	0.8
105.07028	2.3
107.04948	13.7
107.08593	7.2
108.05281	1.0
109.02809	1.0
109.06526	0.8
109.10128	1.5
110.07132	1.3
111.04485	0.6
111.08126	0.6
111.79825	0.6
112.08712	0.8
116.01644	1.3
116.07088	1.0
117.07014	2.5
119.08531	3.1
119.41266	0.6
120.08082	1.6
121.02817	0.8
121.06493	1.9
121.10136	5.7
125.05927	0.7
127.03896	1.7
129.10220	1.5
130.04950	1.1
130.06508	1.2
131.04922	4.4
132.05267	1.8
133.04491	0.6
133.10109	1.1
135.11678	18.8
136.07620	0.8
137.05948	2.3
138.09200	0.7
144.01189	0.9
144.08130	1.2
145.04979	1.6
145.10112	11.5
147.04361	0.6
151.03973	0.7
162.02153	3.0
163.06010	1.2
163.07510	1.0
163.11166	28.2
179.04840	9.0
181.12187	5.6
191.30338	0.7
195.06435	1.0
204.06619	0.6
209.11815	0.7
211.13147	0.7
213.12221	0.6
227.12772	43.0
283.15378	100.0
285.09073	1.8
295.32562	0.6
301.16443	6.0
308.09229	2.9
361.02509	0.8
414.13113	2.7
525.35779	0.7
532.51422	0.6
642.34790	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	12.4
55.05511	32.6
57.03422	13.6
67.05505	70.4
69.03414	7.8
69.07065	20.4
71.04993	10.9
71.58165	7.7
71.58637	10.2
79.05492	70.7
81.03402	7.4
81.07061	100.0
82.58694	8.2
83.04984	8.8
83.08628	15.1
91.05490	55.6
92.02690	7.0
93.07048	67.6
95.04980	18.7
95.08613	55.1
97.06511	7.7
97.10131	8.8
105.07018	39.2
107.04947	10.1
107.08599	39.9
109.06498	28.7
109.10165	21.7
117.07008	22.2
119.08591	35.6
121.10136	19.8
129.07004	14.4
131.08572	39.8
133.10120	20.1
135.08041	14.9
135.11700	20.9
145.10117	19.3
147.11703	19.4
149.09613	11.0
157.10127	10.8
159.08092	8.0
159.11714	16.2
161.09656	15.9
161.13220	9.6
169.10124	11.9
171.11679	13.1
173.13258	11.4
192.13530	6.9
217.15669	10.5
236.92400	7.0
271.16949	12.7
273.18500	14.7
275.20120	21.1
277.21796	7.7
289.18015	14.8
291.19601	7.3
329.20923	8.7
375.90176	7.2
543.36951	13.6
549.39697	9.1
623.42688	27.9
641.44000	37.2
642.44305	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	641.4407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.4
55.01873	17.9
55.05510	62.4
57.03438	15.6
57.07073	7.3
59.04998	3.8
65.03934	5.0
67.05499	88.4
69.03426	8.9
69.07059	48.3
71.04997	7.3
71.60187	4.9
79.05052	5.6
79.05489	80.5
80.05885	3.2
81.03416	8.9
81.06573	4.3
81.07052	82.1
82.85630	2.4
83.04969	10.6
83.08603	29.9
85.06537	4.8
89.06003	5.7
91.05470	74.0
93.07036	77.6
93.45002	3.2
94.07395	3.3
95.04963	21.0
95.08599	47.2
97.02885	8.0
97.06497	14.1
97.10165	39.3
103.05444	4.1
105.07030	74.4
107.04948	100.0
107.08582	52.5
109.06500	14.4
109.10144	30.7
111.08050	7.3
115.05456	3.3
117.07008	36.0
119.08574	52.9
121.06530	8.8
121.10143	26.3
123.08070	8.6
123.11696	11.6
125.09613	24.9
128.06252	6.1
129.07005	24.7
130.07745	5.4
131.08560	45.5
133.06479	5.5
133.10112	41.6
135.08040	8.9
135.11652	15.8
137.09624	6.5
141.06967	8.5
141.98863	2.6
142.07808	4.4
143.08554	23.5
145.06529	2.8
145.10107	34.0
147.08046	9.4
147.11673	30.9
149.09660	11.1
149.13258	8.1
151.11214	3.5
153.09052	3.7
155.08577	15.6
156.09372	3.1
157.10167	21.4
159.11661	22.3
161.09660	8.0
161.13269	20.9
163.11188	5.1
165.07048	4.0
167.08600	4.9
169.10133	14.0
170.10854	2.9
171.08014	3.4
171.10335	4.6
171.11707	21.1
173.09494	3.7
173.13255	14.7
175.11180	3.6
175.14819	12.4
179.08530	3.0
181.10135	9.4
182.10939	2.8
183.11659	16.2
184.12361	3.5
185.13263	13.4
187.14827	7.1
189.11250	17.6
189.12695	3.3
193.10210	4.6
195.11667	7.7
197.13257	9.2
199.14844	7.6
201.12772	4.4
201.16443	3.4
203.73848	3.5
207.11690	6.3
209.13300	7.0
211.14906	6.2
213.16382	7.6
221.13358	4.6
223.13211	8.3
223.14923	7.9
225.16505	4.8
227.12747	19.6
237.16425	3.8
239.17981	3.5
241.19388	14.8
245.13568	4.0
249.16539	3.5
251.17848	3.3
255.17580	4.8
257.19064	6.4
259.20547	36.0
273.18683	13.3
275.20132	13.1
277.21698	3.4
285.22000	4.3
289.18018	6.0
291.19540	67.4
292.19852	4.3
293.20871	3.2
315.23218	5.4
333.24240	25.8
339.22861	3.8
347.22238	3.3
349.24020	6.2
354.50424	3.0
363.22000	3.0
363.26767	6.7
365.23166	28.3
379.29837	6.1
381.27658	4.1
397.30786	4.3
419.29312	4.7
455.31528	3.1
511.34137	6.6
513.36792	4.5
525.35297	4.9
529.35278	7.3
531.37823	10.1
549.39349	9.1
605.42072	18.5
613.57367	2.9
623.33240	5.2
623.42975	91.0
623.53180	4.7
624.44153	4.1
641.36835	9.0
641.44781	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	13.0
55.01863	11.5
55.05506	58.5
57.03437	33.6
67.05500	90.5
67.19997	5.6
69.03402	5.9
69.07066	34.1
70.06576	9.5
70.46777	14.0
71.04991	20.2
79.05492	92.0
80.56622	4.5
81.07056	100.0
83.04977	9.9
83.08620	26.3
85.06503	8.5
86.09737	5.9
86.51643	5.2
91.05482	92.0
93.07038	91.2
94.28625	5.5
95.04959	13.9
95.08601	86.3
97.06529	16.2
97.10177	25.5
105.07022	81.3
105.85567	4.7
107.04964	29.3
107.08584	65.4
109.06531	14.6
109.10165	21.5
115.05447	7.9
116.19237	5.5
117.07012	44.0
119.08577	61.8
121.06519	7.1
121.10151	39.5
123.08023	5.9
125.09658	16.5
129.07022	37.4
131.08565	58.0
133.06474	7.4
133.10143	41.2
135.08081	7.7
135.11687	22.5
137.09529	5.2
141.06949	22.6
142.07761	10.2
143.08556	48.7
145.10129	53.4
147.08067	6.1
147.11717	26.7
149.09546	5.8
149.13274	7.2
153.06964	5.1
154.07788	6.6
155.08551	32.5
157.10110	32.5
159.08035	12.4
159.11690	27.0
161.13217	9.9
163.11159	5.9
163.14893	6.8
167.08543	19.4
169.10091	41.9
171.11679	34.2
172.95506	5.8
173.09579	9.2
173.13225	25.1
175.11203	6.8
175.14836	7.1
181.10124	16.4
183.11717	31.9
184.07272	6.3
185.13234	29.1
187.14818	10.5
189.11186	11.5
191.14211	6.5
193.10201	6.2
195.11697	23.0
197.13303	30.3
199.14848	12.1
203.14349	6.6
207.11678	12.7
209.13269	28.0
211.14853	15.1
213.16444	6.4
217.15814	5.9
221.13301	9.3
221.15338	6.8
223.14810	14.7
225.16512	7.3
235.16942	6.0
237.16425	9.0
267.21188	6.2
275.20078	19.4
291.19653	6.6
301.21829	7.2
321.21854	9.8
327.15344	6.2
327.23444	6.3
331.15753	8.6
333.19058	9.0
347.23907	6.3
349.16727	17.6
349.23828	9.3
365.24539	8.5
441.31119	6.9
459.32315	9.6
469.16653	8.5
469.32889	8.9
513.37036	9.7
531.38556	13.2
549.39355	13.3
551.37286	7.4
553.38800	9.5
569.38147	11.5
583.39716	10.2
623.42908	23.4
641.44128	66.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04074	2.0
53.00303	2.7
53.03937	5.4
55.01870	19.0
55.05255	3.9
55.05508	58.7
56.63071	2.2
57.03434	9.9
57.07073	13.1
59.05001	2.7
65.03938	4.5
65.95818	1.8
67.05499	97.3
67.53415	1.8
69.03440	12.2
69.07063	46.7
70.06551	3.0
71.04987	7.9
71.08631	3.9
79.05490	74.7
81.03409	7.4
81.07053	100.0
81.84430	2.1
83.04979	10.1
83.08607	33.1
85.06535	4.1
89.06040	14.8
91.05471	69.6
92.96439	2.4
93.07036	73.9
95.04971	18.3
95.08597	52.1
95.09216	2.7
96.46323	2.1
97.02888	5.9
97.06519	16.5
97.10161	33.9
99.08073	3.7
99.78789	2.7
103.05473	3.1
105.07023	86.6
107.04950	11.8
107.08591	53.5
109.06492	10.5
109.10143	26.8
111.08081	9.5
115.05450	3.2
116.06257	2.4
117.07011	35.1
119.04919	3.1
119.08578	50.1
121.06530	5.4
121.10130	29.1
123.08065	8.4
123.11692	10.4
125.09615	25.8
128.06161	4.0
129.06989	26.7
130.07849	3.5
131.08557	40.3
133.06499	3.3
133.08696	4.0
133.10121	43.9
135.08055	9.5
135.09030	2.2
135.11676	15.9
137.09616	8.1
141.06990	7.7
142.07771	3.8
143.08542	24.9
145.10112	41.5
147.08060	6.7
147.11671	33.1
149.09575	5.1
149.13264	7.9
153.09079	3.6
154.07834	2.3
155.08548	16.7
157.10115	17.3
159.07933	2.5
159.11676	25.5
161.09628	4.0
161.13240	20.8
163.11192	6.0
163.14821	5.5
165.06955	2.5
165.09067	2.6
167.08571	9.2
168.09381	3.6
169.10100	15.0
171.08130	2.2
171.11661	21.8
173.09581	3.5
173.13226	15.6
175.11235	5.4
175.14842	11.6
179.08572	5.1
180.09505	2.9
181.10110	6.6
183.11699	16.0
185.13225	12.5
187.11073	2.7
187.13264	4.3
187.14806	8.7
189.11211	19.2
189.12723	4.5
189.16476	4.1
191.14301	3.4
193.10226	4.7
195.11656	8.1
197.09579	2.7
197.13264	12.5
197.41856	2.2
199.14783	10.3
201.16353	2.7
203.14305	4.2
205.15933	3.0
207.11699	4.6
209.13197	10.4
211.11238	2.3
211.14868	7.3
213.16333	6.3
220.12593	2.6
221.13341	4.3
223.13235	9.6
223.15082	4.2
225.16444	4.9
227.12759	22.1
227.17860	5.1
231.21011	3.5
235.14886	2.8
237.16362	4.4
239.17999	6.0
241.19453	16.3
243.15752	2.8
245.13676	2.9
245.18919	3.0
251.17999	3.6
253.15970	2.6
257.18997	6.3
259.20544	37.8
261.18414	2.7
267.21198	2.7
273.18524	7.3
275.20059	14.0
285.22189	6.9
287.19955	3.3
289.18051	9.5
291.19504	66.4
293.21051	2.9
309.22025	2.3
333.24243	25.6
335.25879	2.7
349.23724	6.3
355.02728	2.7
363.26816	7.6
365.23169	22.5
379.29874	9.3
381.27722	3.4
397.30823	3.7
422.50739	3.2
433.31458	3.6
455.31528	3.6
511.33939	4.3
513.36786	5.5
527.36987	2.4
529.35040	7.3
531.37903	9.3
543.36853	3.8
549.39288	7.1
554.35895	3.6
567.40131	3.7
587.41473	2.5
605.41956	19.9
623.43030	91.5
641.44049	41.4
660.53839	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	641.4409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.4
53.07955	3.2
55.01863	15.3
55.05507	49.6
56.98354	3.8
57.03420	10.8
57.07048	5.6
59.06116	8.6
65.21801	3.5
67.05498	71.9
67.16579	3.5
69.03428	8.5
69.07059	32.0
70.36248	3.4
71.04981	6.3
71.08638	5.9
76.05920	3.5
79.05486	57.9
81.03407	8.3
81.07053	69.4
83.04985	9.7
83.08629	22.4
85.06543	5.3
89.06034	8.6
91.05472	51.0
93.07026	53.0
95.04958	14.2
95.08599	45.8
97.02887	6.3
97.06536	10.4
97.10152	33.7
98.21444	7.0
101.72336	3.2
105.07023	100.0
107.04947	9.7
107.08580	43.5
109.06508	10.1
109.10135	24.4
111.08114	6.3
117.07018	29.6
119.08573	49.7
121.06509	6.0
121.10139	16.4
123.08057	4.8
123.11749	10.6
125.09628	25.0
129.06984	23.8
131.08562	34.2
133.06433	3.6
133.08600	4.3
133.10135	29.0
135.08052	8.5
135.11664	15.9
137.09630	6.4
141.06975	5.4
143.08545	23.1
145.06458	4.6
145.10135	31.3
147.08044	8.3
147.11690	21.6
149.09641	6.5
149.13274	7.5
153.09122	4.5
155.08565	15.8
157.10127	16.7
159.08028	5.3
159.11676	21.5
161.09708	5.0
161.13228	18.7
163.11176	7.7
165.06863	4.0
169.10094	15.7
171.11694	16.4
173.13251	14.8
175.14842	8.6
181.10091	6.1
183.11703	13.8
185.09804	4.0
185.13284	10.3
187.11383	4.1
187.13263	5.2
187.14896	5.5
189.11208	16.1
193.10036	5.8
195.11722	6.1
197.13251	9.9
199.14795	8.8
209.13248	8.6
221.13266	3.6
223.13206	9.1
223.15097	4.3
225.16383	7.6
227.12788	16.3
239.17909	7.7
241.19554	13.8
245.13756	4.2
253.19562	3.7
259.20541	28.8
273.18472	10.0
275.20148	10.9
289.18069	11.3
291.19492	53.1
297.22244	3.7
315.23456	4.2
333.24194	20.2
335.25891	3.6
365.23254	17.4
379.29849	7.2
379.69739	3.6
381.27975	4.3
397.31427	3.7
436.64822	4.1
437.47784	3.5
513.36328	7.3
529.35577	4.5
531.38635	5.8
549.40002	5.4
605.42383	17.2
623.43091	80.2
641.44098	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	641.4406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69601	0.9
53.03930	4.0
55.01865	6.6
55.05509	13.6
56.41061	0.9
57.03433	26.6
57.07069	3.5
61.82132	0.9
64.99911	0.8
65.03922	3.6
67.05500	47.4
69.03419	2.2
69.07060	11.4
71.04983	4.9
71.08630	1.2
77.03915	1.2
79.05486	30.8
81.03419	4.7
81.07051	34.9
81.45620	0.9
83.04963	3.6
83.08618	6.3
85.06534	25.3
86.78770	1.0
90.98030	0.8
91.05473	36.3
93.07037	28.8
95.01365	1.3
95.04351	2.0
95.04962	40.4
95.08038	1.7
95.08604	22.0
97.06520	4.1
97.10143	3.1
99.08093	1.8
103.05450	0.8
105.07026	34.1
107.04942	15.5
107.08593	18.6
109.06507	23.9
109.10136	7.9
110.49999	1.0
111.08098	2.2
113.05998	100.0
115.05410	2.0
117.07013	13.0
119.08573	25.0
121.06498	3.6
121.10139	9.0
123.08054	5.6
123.11678	1.8
125.09647	2.2
128.06203	3.2
129.07004	9.3
130.07857	1.2
131.08556	26.1
133.06499	1.8
133.10133	16.2
135.08060	14.7
135.11685	7.0
137.09526	1.9
141.06993	4.3
141.09081	2.5
142.07777	2.1
143.08546	11.3
145.06447	2.7
145.10109	18.7
147.08037	3.0
147.11668	11.0
149.09612	3.4
149.13249	3.5
153.06985	1.6
155.08580	5.8
155.66489	0.9
156.09299	1.0
157.10127	13.0
159.08073	3.4
159.11679	15.4
161.09637	4.7
161.13220	7.8
163.11179	1.9
163.14879	1.2
165.06946	1.2
167.08571	1.2
169.10138	8.7
171.08104	0.9
171.11641	8.9
173.13251	8.2
175.11179	1.6
175.14812	3.5
177.12727	3.2
179.08609	1.1
181.10158	3.6
183.11691	6.8
185.09576	1.2
185.13284	7.1
187.11261	2.8
187.14813	3.9
189.12679	1.9
189.16368	1.0
191.14265	1.1
192.53430	1.1
193.10132	2.3
195.11674	3.2
195.13710	1.5
197.13251	4.1
199.11168	1.5
199.14824	3.8
201.12749	1.4
201.16353	2.1
203.14194	1.1
207.11624	1.7
209.13191	3.8
211.14854	2.7
213.16402	3.0
215.17941	1.3
217.15919	4.8
217.19562	1.1
219.13867	1.0
219.17531	1.0
221.13298	2.0
221.15414	1.1
223.14957	1.9
225.12958	1.0
225.16451	1.4
227.17946	1.9
229.87105	1.3
233.15384	1.5
237.16356	3.9
239.17975	1.7
241.14311	1.5
241.19493	7.2
249.16467	1.1
255.17439	1.5
257.19012	3.3
259.20584	9.5
273.18488	11.2
275.20068	6.7
279.15839	8.2
285.22015	1.1
289.18060	1.8
291.19513	27.4
297.21890	1.4
315.23184	2.1
325.25284	1.5
327.27026	2.1
331.22650	1.4
333.24274	11.8
337.50406	1.1
347.22220	3.6
349.24045	1.0
353.24527	1.2
365.23212	7.0
381.27844	1.3
421.31070	1.8
435.32443	1.1
437.34167	3.0
475.36194	1.1
511.37402	3.0
513.36432	5.2
527.37250	1.5
529.38861	2.0
531.38538	4.4
549.39117	4.0
551.36676	2.9
565.38226	1.2
567.39978	2.5
569.38245	2.4
605.41931	7.3
623.43024	37.3
623.53174	2.1
641.44025	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	641.4404
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78739	1.7
53.03941	5.9
55.01869	20.2
55.05256	2.6
55.05507	39.8
55.17760	1.9
56.96570	1.6
57.03431	13.0
57.07068	4.3
65.03931	6.8
66.04681	1.9
67.05499	100.0
69.03417	6.8
69.07059	39.9
70.06577	2.1
71.04980	6.0
71.59737	2.1
79.05486	78.6
81.03411	9.7
81.07050	96.4
83.04972	7.9
83.08620	22.1
85.02891	4.5
85.06537	6.1
86.91992	1.7
87.04470	2.1
89.06035	4.8
91.05472	69.1
93.06461	3.7
93.07038	67.8
93.07624	3.8
95.04964	19.6
95.08602	56.3
97.02863	3.6
97.06518	23.1
97.10149	17.0
99.08112	4.5
103.05433	3.2
105.07023	87.8
106.88797	1.8
107.04951	26.0
107.07851	3.4
107.08584	58.3
109.06502	17.9
109.10143	30.8
111.04434	2.3
111.08089	9.0
113.09603	2.0
115.05412	3.9
117.07004	28.9
119.08576	50.9
120.08938	2.1
121.06469	8.8
121.10136	26.9
123.08065	8.0
123.11707	10.8
125.09618	11.7
128.06218	4.4
129.06996	14.3
131.08562	35.6
133.06436	3.0
133.08572	2.1
133.10126	40.8
135.08032	11.1
135.11693	9.9
137.09662	8.5
139.11134	3.6
141.06990	5.6
142.07773	4.8
143.08566	15.4
145.06450	4.8
145.10121	40.3
147.08023	6.1
147.11670	28.4
149.09616	26.8
149.13242	6.8
151.11198	5.6
153.09077	3.3
154.07674	1.9
155.08560	10.1
157.10114	16.4
159.11678	22.6
161.09615	4.0
161.13318	8.9
162.39682	1.7
163.11200	12.7
165.12659	2.2
167.08577	2.8
168.09433	1.9
169.10141	10.2
171.10365	1.9
171.11621	9.4
173.09607	4.7
173.11842	3.3
173.13251	13.2
175.11234	5.4
175.14844	2.2
177.11209	1.8
177.12709	4.3
179.08684	2.3
179.14297	4.7
181.10114	5.4
182.04547	3.3
183.11696	9.9
185.13258	7.5
187.11160	3.5
187.14809	6.6
189.11192	9.3
189.12671	2.9
191.14320	1.8
193.12160	3.2
195.11684	6.3
197.13281	8.6
199.14801	3.4
201.12720	2.8
201.16350	3.9
203.14343	4.5
205.12245	2.0
207.11646	3.4
209.13263	4.9
211.14790	3.1
211.57547	1.8
213.16411	5.3
221.13208	2.3
223.14801	2.3
225.16470	2.5
227.12756	13.1
227.17993	2.5
229.14285	3.0
229.19487	7.7
235.14830	2.5
237.16536	3.0
239.17963	8.2
241.19565	2.5
247.20554	5.0
257.19025	21.0
259.20602	2.6
267.15808	2.4
273.18530	5.2
275.20056	90.8
276.20389	3.1
291.19556	6.1
293.21100	9.5
313.21555	3.3
331.22620	6.1
333.24115	2.5
339.23047	1.7
345.11053	2.0
349.23682	35.3
367.24884	2.7
379.30273	2.2
395.29282	2.2
401.13284	7.3
511.34210	2.3
513.36383	2.5
529.35120	5.1
531.37872	6.7
543.36658	5.0
549.39331	5.3
569.38538	2.7
605.41730	6.7
623.33228	2.7
623.43011	36.0
641.33539	4.2
641.44092	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27834	1.9
53.03941	5.8
55.01870	6.8
55.05511	28.1
57.03437	10.2
57.07057	2.5
59.05006	3.3
61.02925	24.7
65.03940	5.9
67.05501	61.4
69.03426	11.3
69.07069	26.9
70.06580	5.9
70.11028	10.1
71.04995	6.5
73.02924	11.7
76.21572	2.0
79.05489	49.8
81.03415	15.8
81.07052	56.1
83.04989	8.3
83.08611	21.2
83.11749	2.1
85.02894	23.1
85.06539	6.3
86.09720	3.7
89.06045	2.7
91.03966	10.2
91.05476	65.4
93.07039	47.3
95.04955	15.0
95.08601	36.3
97.02864	18.5
97.06528	11.3
97.10171	6.4
99.04465	4.0
99.08113	2.6
101.02382	2.3
103.03907	2.6
103.05450	4.7
105.07021	48.3
107.04956	24.2
107.08585	26.0
108.08098	3.2
109.02849	3.2
109.06486	11.0
109.10143	20.2
111.08084	7.7
115.05447	4.8
117.07007	45.3
117.07832	2.8
119.04910	2.8
119.08565	25.3
120.08053	2.5
121.06526	5.6
121.10144	14.2
123.08080	9.2
125.09622	5.1
127.03926	4.5
127.97834	2.0
128.06253	9.3
129.07001	48.0
129.07893	3.7
131.04922	3.2
131.08560	65.8
133.06502	7.6
133.10121	19.5
135.08064	6.3
135.11707	6.2
136.07567	5.9
137.09598	4.2
141.06981	22.9
142.07750	4.8
143.08545	32.6
145.06522	9.4
145.10117	32.6
147.08063	9.4
147.11673	10.8
149.09651	7.8
149.13269	2.9
153.07039	3.6
154.07777	3.5
155.08549	33.2
157.06537	4.5
157.10133	22.9
159.08069	6.6
159.11667	18.5
161.09584	3.1
163.11229	6.5
165.07045	4.6
165.12752	2.4
167.08543	18.8
169.10117	19.7
171.08035	3.5
171.11665	13.6
173.09679	2.8
173.11794	4.1
173.13258	4.6
175.11250	6.5
177.12761	7.1
179.08620	6.9
181.10126	14.2
183.08072	2.7
183.11685	10.3
185.09662	2.2
185.13290	9.3
187.11176	3.5
187.14775	2.1
189.12874	2.4
192.22301	2.1
193.10214	6.9
193.12294	5.9
195.10034	3.4
195.11737	13.0
195.13345	2.5
197.13266	9.6
199.11320	2.4
199.14798	3.9
201.12814	5.0
204.06581	3.6
207.11739	6.7
209.13278	11.2
211.14868	4.9
213.12813	4.9
213.16467	3.5
215.14349	3.7
221.13249	12.9
223.14807	13.7
225.12762	2.7
225.16351	3.0
229.14191	3.6
229.16164	2.9
231.14008	2.5
231.17363	2.8
233.13303	3.8
233.15460	7.4
235.14816	6.2
235.16986	2.5
237.16585	5.2
239.14368	9.4
243.08707	2.3
243.13866	2.7
245.15413	3.7
247.17046	3.8
253.15926	5.4
257.15436	8.9
257.18930	2.2
259.17169	4.4
264.93170	2.1
267.11459	3.1
269.12677	2.9
271.17017	12.3
279.11496	2.2
281.12891	2.5
305.12216	2.5
305.22571	3.9
315.21088	3.6
323.23856	9.0
333.22131	21.4
341.24649	13.6
351.18680	3.5
351.23166	62.5
369.24246	53.7
387.25281	47.8
387.29996	3.5
405.26004	2.8
413.17883	8.9
443.27942	32.8
450.01871	2.0
461.28979	100.0
462.29636	2.5
469.20447	5.1
479.30133	16.2
487.17392	2.5
488.18140	11.5
609.23401	4.5
623.33679	3.9
638.70221	2.4
641.31549	95.2
642.31860	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	641.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	3.0
53.03936	7.3
55.01862	8.6
55.05260	3.0
55.05506	42.5
56.96566	2.7
57.03434	17.8
61.02925	42.4
65.03923	5.3
67.05166	5.1
67.05498	75.5
69.03411	15.1
69.07063	32.9
70.06570	12.7
70.95055	6.9
71.05002	12.7
73.02905	12.3
76.95127	2.8
79.05048	5.5
79.05483	67.0
81.03423	20.1
81.07046	71.0
83.04958	9.2
83.08625	25.1
84.08141	3.8
85.02903	36.0
85.06538	4.9
86.09733	4.8
87.04456	3.0
91.03953	19.9
91.05470	80.6
93.07029	54.0
95.04974	21.8
95.06081	2.9
95.08595	42.5
97.02868	27.3
97.06513	15.6
97.10158	8.4
99.04461	2.6
99.08047	3.5
103.05473	7.6
105.07019	66.1
107.04950	31.3
107.08600	28.0
109.02870	5.4
109.06516	9.5
109.10137	15.5
111.08086	7.7
115.05454	7.8
117.07001	56.8
119.08582	34.4
120.08119	5.1
121.06499	15.9
121.10123	21.4
123.08047	6.6
125.09628	9.3
127.03891	9.2
127.07471	3.3
128.06201	15.0
129.06996	62.2
131.04913	5.2
131.08556	71.7
133.06483	10.2
133.10121	29.1
135.08041	5.6
135.11679	11.6
136.07594	4.2
137.09599	3.9
140.07043	2.9
141.06975	28.0
142.07709	6.3
143.08554	47.7
145.04968	2.8
145.06480	14.1
145.10104	32.1
147.08017	12.5
147.11693	14.5
149.09579	11.7
149.13187	4.8
151.11191	4.4
153.06900	6.2
154.07732	4.2
155.08545	45.8
157.06493	6.9
157.10115	23.3
159.08069	9.8
159.11667	23.2
161.09579	8.9
161.13307	4.3
163.11145	6.8
165.07019	7.3
167.08527	17.6
169.10109	24.0
171.08070	6.7
171.11632	19.9
173.09654	7.4
173.13303	7.7
175.11151	13.6
177.12762	9.5
179.08542	9.0
180.09349	5.5
181.10107	25.1
183.11690	18.1
185.09644	6.3
185.13219	14.1
187.11116	8.2
187.14743	3.9
189.12709	5.4
193.10127	7.7
193.12111	2.6
195.11681	22.3
195.13544	4.1
197.13264	10.5
199.11128	4.3
199.14793	6.4
201.12729	5.6
204.06680	4.3
207.11742	8.9
209.13286	16.8
211.14825	13.9
213.12758	4.7
215.14371	5.3
219.11757	3.4
219.13849	4.0
221.13264	16.1
221.15063	3.4
223.14899	17.2
225.12669	8.1
229.15796	5.8
231.11736	3.8
233.13206	4.0
235.14894	9.2
237.10242	3.2
239.14230	10.5
241.15811	7.4
249.10158	6.1
249.16431	4.2
253.16008	7.7
257.15283	5.9
259.17050	5.0
263.11020	3.1
267.11261	7.8
271.16864	10.5
275.16534	5.0
277.18198	3.6
285.12576	3.1
301.11700	3.8
307.19034	8.9
313.25534	2.8
315.21164	6.5
323.10291	6.8
323.20258	4.1
323.23727	7.5
333.22162	31.1
337.08020	5.1
341.24661	16.3
351.23154	98.7
351.27628	4.7
355.09244	7.3
356.09308	3.8
369.24225	82.9
383.12268	9.1
387.25278	65.5
389.24628	3.2
401.09848	5.0
415.28867	3.1
425.26837	5.9
443.27902	67.8
461.28928	100.0
474.39355	3.4
479.30011	25.9
488.18082	7.7
609.23444	7.2
641.31360	47.3
642.23096	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	641.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.4
55.01864	6.2
55.05512	28.5
56.96575	1.9
57.03430	10.2
57.07061	2.2
59.04985	2.2
60.94590	1.4
61.02925	27.1
65.03935	3.4
67.05502	60.4
69.03426	10.6
69.07066	20.8
69.62794	10.6
70.06578	4.8
71.04990	5.4
73.02921	10.4
79.05491	51.5
81.03415	13.1
81.07051	62.0
83.04985	5.9
83.08615	22.5
85.02901	25.1
85.06549	4.5
86.09698	3.5
87.04495	1.7
91.03947	14.7
91.05474	62.5
93.07040	43.4
95.04973	13.5
95.08601	36.2
97.02895	17.1
97.06510	10.0
97.10163	6.8
97.88664	1.7
98.20681	3.2
99.04462	3.8
103.05443	2.5
105.07026	48.6
107.04960	16.4
107.08595	23.0
108.05276	1.9
108.08150	2.1
109.02859	3.4
109.06506	10.4
109.10130	16.6
111.08080	4.7
111.11762	1.7
115.05454	7.2
116.06274	1.7
117.07014	46.0
119.04909	2.3
119.08576	30.8
121.02834	2.5
121.06521	8.8
121.10156	13.9
123.04536	1.6
123.08086	5.6
123.11704	2.6
123.47755	1.7
125.09638	5.1
127.03897	4.8
127.07565	1.9
128.06216	12.4
129.06998	56.9
131.04970	3.0
131.07568	3.5
131.08559	70.1
133.06496	10.7
133.10139	22.9
135.08052	6.7
135.11696	6.7
136.07571	3.4
137.09651	4.1
139.07556	2.6
139.11197	3.7
141.06981	24.3
142.07751	5.5
143.08554	42.4
145.04958	2.7
145.06468	9.9
145.10130	27.3
147.08029	9.2
147.11722	11.2
149.06026	2.3
149.09619	9.8
149.13292	3.3
151.11098	1.8
153.06979	4.0
154.07797	4.2
155.08557	41.1
157.06494	5.5
157.10136	25.5
159.08073	7.3
159.10382	2.8
159.11664	22.1
161.09584	5.0
161.13249	5.4
163.11180	7.2
165.07033	3.9
166.07698	3.3
167.08543	17.9
169.10121	21.6
171.08076	4.2
171.11700	14.8
172.04034	2.0
173.09581	3.4
173.11798	2.9
173.13239	5.3
175.09746	2.6
175.11200	7.5
177.12692	7.8
179.08546	8.0
180.09325	4.9
181.10133	19.7
183.08116	2.2
183.11676	14.0
185.09648	4.0
185.13280	7.4
187.11221	4.4
187.14896	2.4
189.12794	3.3
191.08528	1.9
191.10590	2.1
193.10118	8.4
193.12041	3.1
193.17274	1.9
195.11684	20.9
197.09569	2.1
197.13261	10.6
199.11307	4.2
199.14825	4.0
201.12863	4.1
203.14342	3.0
204.06572	3.1
205.10202	2.4
206.10962	1.7
207.11717	7.1
207.13608	2.1
208.12286	2.0
208.56161	1.7
209.13234	12.6
211.11255	2.6
211.14821	7.5
213.12695	2.9
213.16406	4.7
215.14427	3.2
219.11661	3.7
219.13701	2.6
221.13350	13.3
223.14801	18.1
225.12724	6.1
225.16389	4.0
227.14336	4.1
229.12224	2.1
229.14240	3.6
233.13216	5.1
233.15401	8.5
235.14854	9.0
237.16353	4.8
239.12196	2.6
239.14265	10.0
239.18021	1.8
241.15947	6.2
243.13882	2.3
245.15407	2.5
247.16919	2.5
249.10379	2.6
249.16484	3.0
251.14328	2.6
253.15936	7.3
257.15363	10.0
259.17035	3.9
263.11783	2.8
269.12704	2.4
269.15286	2.8
271.10858	2.4
271.16898	7.7
273.18570	2.6
275.16559	1.9
275.20172	2.2
281.12866	4.3
283.16971	2.3
285.18646	2.2
287.13837	2.3
305.22839	4.0
315.20712	2.0
323.09885	2.5
323.23605	9.7
333.22079	23.2
341.24734	11.9
351.23166	79.1
359.25592	2.3
369.24237	63.1
387.20325	3.2
387.25269	53.3
405.26895	2.0
425.26639	3.4
440.16086	1.8
443.27930	43.3
444.28079	2.1
458.17249	2.4
461.28967	100.0
469.20288	2.0
479.30045	18.3
488.18121	7.5
609.23462	8.1
623.33228	3.2
641.31903	39.5
642.32141	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96547	0.2
53.03928	0.8
53.04174	0.2
55.01856	0.6
55.05507	0.4
56.05020	0.4
57.03426	1.4
61.02919	2.0
65.03905	0.2
67.05479	0.2
69.03421	5.7
70.06584	3.7
71.01321	0.2
71.04975	0.7
71.59807	0.3
72.08135	0.7
73.02914	1.3
79.05499	0.5
81.03405	2.6
81.07064	0.5
83.04944	0.2
83.35049	0.2
84.04479	0.8
84.08149	1.0
85.02896	14.0
86.09690	1.2
87.04462	1.3
91.03935	0.9
91.05452	0.4
93.03406	0.3
93.07029	0.4
95.04940	0.7
95.06076	0.5
96.08144	0.2
97.02885	4.1
97.06520	0.4
99.04456	1.1
101.02390	0.2
103.03923	0.3
103.05448	0.2
107.04958	3.0
107.08527	0.3
108.05283	0.3
109.02880	1.8
110.07145	0.3
112.08703	0.2
115.03919	0.3
116.10706	0.6
120.08099	0.6
121.02859	1.2
121.06504	0.9
123.04446	1.0
125.02326	0.4
127.03909	2.6
129.10243	0.4
136.07564	0.3
137.02318	2.1
137.05927	0.5
141.05417	0.4
145.04950	1.9
149.02324	0.4
151.03870	0.8
163.03894	0.8
167.03375	4.2
177.05508	0.3
179.03400	1.6
180.04247	0.3
186.78362	0.2
187.07440	0.3
197.04468	0.7
200.04657	0.3
209.04333	0.3
215.07028	1.2
228.04086	0.3
234.18639	0.4
237.02997	0.2
242.05786	0.2
243.06531	3.3
255.14445	0.2
257.04700	0.3
259.05920	0.3
261.07544	0.5
271.05951	2.1
273.03796	0.3
274.04681	1.9
287.05215	0.2
288.06219	0.8
289.07263	0.4
299.05679	1.1
302.04160	1.8
315.05069	0.3
316.05676	1.1
317.06522	100.0
318.06915	0.7
326.23102	0.5
327.23306	0.2
341.06589	0.4
359.07532	1.4
430.62717	0.2
479.11804	15.8
480.12219	0.2
534.23242	0.2
640.37170	0.3
641.28809	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1707
Annotation	Quercetin 7-methyl ether 3-laminaribioside
Peak:m/z	Relative Intensity
52.96547	0.2
53.03928	0.8
53.04174	0.2
55.01856	0.6
55.05507	0.4
56.05020	0.4
57.03426	1.4
61.02919	2.0
65.03905	0.2
67.05479	0.2
69.03421	5.7
70.06584	3.7
71.01321	0.2
71.04975	0.7
71.59807	0.3
72.08135	0.7
73.02914	1.3
79.05499	0.5
81.03405	2.6
81.07064	0.5
83.04944	0.2
83.35049	0.2
84.04479	0.8
84.08149	1.0
85.02896	14.0
86.09690	1.2
87.04462	1.3
91.03935	0.9
91.05452	0.4
93.03406	0.3
93.07029	0.4
95.04940	0.7
95.06076	0.5
96.08144	0.2
97.02885	4.1
97.06520	0.4
99.04456	1.1
101.02390	0.2
103.03923	0.3
103.05448	0.2
107.04958	3.0
107.08527	0.3
108.05283	0.3
109.02880	1.8
110.07145	0.3
112.08703	0.2
115.03919	0.3
116.10706	0.6
120.08099	0.6
121.02859	1.2
121.06504	0.9
123.04446	1.0
125.02326	0.4
127.03909	2.6
129.10243	0.4
136.07564	0.3
137.02318	2.1
137.05927	0.5
141.05417	0.4
145.04950	1.9
149.02324	0.4
151.03870	0.8
163.03894	0.8
167.03375	4.2
177.05508	0.3
179.03400	1.6
180.04247	0.3
186.78362	0.2
187.07440	0.3
197.04468	0.7
200.04657	0.3
209.04333	0.3
215.07028	1.2
228.04086	0.3
234.18639	0.4
237.02997	0.2
242.05786	0.2
243.06531	3.3
255.14445	0.2
257.04700	0.3
259.05920	0.3
261.07544	0.5
271.05951	2.1
273.03796	0.3
274.04681	1.9
287.05215	0.2
288.06219	0.8
289.07263	0.4
299.05679	1.1
302.04160	1.8
315.05069	0.3
316.05676	1.1
317.06522	100.0
318.06915	0.7
326.23102	0.5
327.23306	0.2
341.06589	0.4
359.07532	1.4
430.62717	0.2
479.11804	15.8
480.12219	0.2
534.23242	0.2
640.37170	0.3
641.28809	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1708
Annotation	Rhamnetin -gentiobioside
Peak:m/z	Relative Intensity
53.03931	0.5
55.01867	0.7
55.05513	0.2
57.03433	0.8
59.03606	0.2
61.02920	1.6
61.41765	0.2
65.03913	0.2
65.08374	0.2
69.03427	3.2
70.06589	1.6
70.99804	0.3
71.00169	0.3
71.04972	0.5
71.56039	0.2
72.08140	0.5
73.02905	0.5
77.05036	0.1
81.03412	1.6
81.98743	0.2
84.04520	0.2
84.08134	0.6
85.02899	10.6
86.09695	0.6
87.04471	0.3
91.03939	0.4
91.05473	0.7
93.03384	0.4
95.03338	0.2
95.04950	0.6
95.06069	0.2
97.02882	3.9
97.06511	0.2
99.04447	0.5
107.04965	1.1
109.02871	1.3
110.07162	0.3
119.04943	0.2
120.08090	0.3
121.02860	0.9
123.04415	1.2
124.01563	0.3
125.02347	0.7
127.03903	2.4
129.10251	0.4
134.99619	0.2
136.07460	0.2
137.02324	2.5
139.03833	0.2
141.05502	0.2
145.02834	0.2
145.04953	2.2
149.02336	0.4
151.03905	0.8
152.07121	0.2
163.03854	0.5
163.05975	0.2
164.07111	0.2
167.03384	3.1
179.03374	1.5
180.04144	0.2
183.04245	0.2
187.07573	0.3
191.03407	0.2
197.04446	0.6
200.04681	0.3
215.06998	1.1
228.04149	0.5
233.08171	0.4
243.06520	3.5
246.05362	0.2
257.04413	0.2
261.07675	0.3
271.05933	1.8
273.03854	0.4
274.04681	2.9
288.06229	0.7
289.07297	0.2
299.05417	0.9
302.04123	2.6
315.05032	0.2
317.06534	100.0
318.06934	1.0
333.05716	0.2
359.07727	0.2
362.01398	0.2
368.08237	0.4
378.47293	0.2
464.91031	0.2
479.14929	0.7
504.04794	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.2
53.03939	1.8
55.01869	1.9
55.05480	0.5
56.05020	0.2
56.96547	0.3
57.03439	1.1
57.74451	0.2
59.17134	0.2
61.02922	1.2
65.03945	0.2
67.05462	0.6
68.99783	0.8
69.03424	5.8
69.07060	0.3
69.52650	0.4
69.53053	1.1
70.06576	1.0
71.04985	0.8
72.08111	0.3
73.02918	1.3
79.05445	0.6
81.03412	8.1
81.07050	1.1
83.01294	0.2
83.04946	0.3
83.08589	0.3
84.08103	0.5
85.02899	10.7
86.09655	0.5
87.00826	4.3
87.04417	0.4
91.03927	0.4
91.05436	0.7
93.06995	0.7
95.04929	0.7
95.06036	0.2
95.08562	0.6
97.02301	0.3
97.02886	4.0
97.06509	0.2
98.21575	0.2
98.97573	0.2
99.03831	0.2
99.04442	2.4
101.02364	0.3
105.01294	0.2
105.01870	2.5
105.03381	0.3
105.06992	0.5
107.04288	0.2
107.04945	2.1
107.08549	0.5
109.02871	5.8
109.10155	0.2
110.07084	0.3
110.41563	0.2
111.04367	0.2
117.01817	1.1
119.08556	0.5
120.08100	0.3
121.02859	5.6
121.06461	0.2
121.10101	0.3
123.04397	0.2
125.02306	0.2
125.09553	0.2
127.03909	8.5
128.80525	0.2
129.01855	0.9
131.08170	0.6
131.62968	0.2
133.06465	0.2
133.10138	0.4
135.02859	0.2
135.04355	0.2
136.07553	0.2
137.02303	0.4
140.98494	0.2
141.01807	2.7
143.38007	0.2
145.04938	2.1
145.06534	0.2
146.05956	0.2
147.02859	0.6
147.04413	1.2
149.02229	0.2
159.02884	3.3
159.11464	0.1
163.03912	0.2
163.06073	0.2
163.56125	0.2
165.01796	1.5
169.06464	0.3
170.51349	0.2
171.04393	0.2
173.06055	0.2
176.98546	0.2
177.03970	0.2
178.04961	0.3
183.02864	2.2
183.04376	0.2
189.05344	0.2
197.05965	1.1
201.05428	0.5
205.74303	0.2
213.03836	0.4
215.06990	0.3
225.05466	1.1
226.72743	0.2
229.04738	0.2
231.04956	0.7
243.04277	0.3
243.06531	2.1
271.06027	0.8
279.11273	0.3
281.17517	0.2
282.17599	0.3
287.05383	0.3
292.08438	0.3
299.05472	100.0
300.05753	1.5
305.08972	0.3
317.06610	1.0
318.06757	0.4
323.10321	0.2
327.05136	0.2
351.09286	0.2
357.15570	0.3
369.10837	0.5
383.12454	0.7
391.03452	0.3
393.09656	23.4
394.09824	0.5
409.04602	0.2
431.07779	0.3
449.09009	0.5
461.29160	0.2
479.30173	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.01869	1.9
57.03435	0.9
59.04977	0.2
61.02922	0.9
68.99783	1.1
69.03423	5.8
70.71548	0.3
70.71884	0.3
71.01321	0.1
71.05004	0.7
71.05309	0.2
73.02550	0.1
73.02911	1.4
81.03409	7.2
81.07039	0.1
81.66993	0.2
85.02895	9.4
87.00298	0.2
87.00818	4.3
87.04428	0.2
91.03945	0.3
97.02880	3.5
99.04442	2.2
105.01857	2.5
105.03352	0.2
107.01313	1.2
107.04932	0.5
109.02866	5.3
111.04398	0.3
115.03881	0.2
117.01802	1.0
121.02854	6.5
123.00754	0.2
127.03902	7.7
129.01819	0.8
133.06473	0.2
137.02251	0.2
141.01831	0.3
141.06978	0.3
141.28688	0.1
145.04945	2.1
145.06416	0.3
147.02866	0.5
147.04385	0.6
149.02315	0.3
153.01729	0.2
154.13811	0.1
157.06451	0.3
159.02873	3.7
165.01791	1.0
169.06477	0.3
171.04355	0.2
173.04581	0.2
173.05963	3.0
177.01686	0.2
183.02881	0.8
183.04375	0.3
195.02832	0.2
197.05948	0.6
201.05447	0.9
211.03856	0.2
213.03839	0.3
219.47331	0.2
225.05453	0.4
229.04939	5.1
231.04965	0.9
237.42612	0.1
243.06555	0.8
253.04898	0.3
257.04602	0.2
271.06000	0.5
287.05377	0.3
299.05466	57.2
300.05664	0.7
329.06650	0.2
341.06375	0.2
393.09622	100.0
394.09995	2.3
417.09430	0.2
435.10709	0.2
549.61499	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01867	1.7
57.03432	1.2
58.07413	0.1
59.67612	0.1
61.02924	0.9
68.99780	0.8
69.03423	6.0
70.06570	0.7
71.04995	0.8
71.60027	0.1
71.60389	0.1
72.08125	0.1
73.02910	1.4
81.03411	7.2
83.01325	0.2
84.08120	0.2
85.02898	8.8
86.09666	0.2
87.00822	4.4
87.04456	0.2
91.03923	0.5
95.04907	0.2
97.02274	0.2
97.02882	3.4
99.04452	2.5
101.02351	0.1
103.03937	0.2
105.01858	2.5
105.03358	0.2
105.06987	0.2
107.01313	1.1
107.04929	0.9
109.02867	5.9
115.03886	0.2
117.01852	0.9
120.08057	0.2
121.02851	6.6
125.02244	0.1
127.03907	7.9
129.01828	0.7
133.06448	0.3
134.68265	0.1
141.01793	0.1
141.06902	0.1
145.04915	2.1
145.06425	0.5
147.02853	0.4
147.04424	0.6
149.02303	0.3
154.55084	0.1
157.06453	0.2
159.02881	3.5
159.04231	0.2
165.01828	1.0
169.06439	0.4
173.05974	3.1
177.01814	0.2
183.02864	0.8
183.04324	0.2
197.05940	1.1
199.03648	0.1
201.05443	1.0
213.03838	0.2
215.06996	0.2
224.30377	0.1
225.05357	0.6
229.04942	5.7
231.05017	1.1
243.06567	0.8
253.04900	0.4
254.05598	0.1
257.04434	0.2
271.06116	0.6
287.05505	0.4
299.05466	61.3
300.05835	1.4
311.05484	0.1
341.06482	0.3
343.34842	0.1
351.35934	0.1
380.68851	0.1
381.65390	0.1
393.09628	100.0
394.09970	1.9
435.10568	0.3
509.92340	0.1
564.59064	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	640.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78563	0.5
51.22172	0.5
52.68142	0.6
53.03932	1.1
55.01861	0.9
55.05270	1.0
55.05511	11.5
56.05014	1.3
57.03442	7.4
57.07063	2.2
65.03922	1.4
67.05504	25.2
69.07066	14.0
70.48775	0.6
71.05000	0.7
71.08641	0.6
79.05486	7.8
79.48599	0.5
80.79292	0.6
81.03412	1.0
81.07056	27.7
83.04994	0.9
83.08614	7.9
85.00755	0.5
85.02887	0.9
86.06062	1.5
91.05492	5.4
93.07048	6.8
95.04970	1.6
95.08601	18.9
97.06501	1.6
97.10178	3.5
98.06061	0.5
99.08115	0.8
105.07035	3.4
106.06544	1.0
107.08592	3.4
109.10139	7.3
111.08062	0.8
111.11703	0.5
115.64433	0.5
119.08581	2.8
121.10144	2.3
122.06031	6.8
123.11708	3.2
125.00079	0.6
133.10109	3.5
134.05995	1.0
135.11694	1.3
137.13213	1.0
140.64612	0.5
144.41122	0.6
147.11635	1.7
149.13332	0.6
152.07051	1.8
161.13313	1.3
163.14833	0.6
170.08133	0.9
175.14806	0.5
188.09178	5.6
220.03699	25.1
250.04810	1.9
255.13638	0.5
263.23715	0.8
268.05771	5.2
286.06860	6.0
294.07468	0.6
296.12244	0.5
304.07834	3.6
336.83203	0.6
337.27350	100.0
338.27640	3.5
521.77087	0.6
538.28973	1.2
549.85999	0.5
556.30487	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24727	1.4
53.03942	3.5
54.03464	1.5
55.01877	6.1
55.05513	14.9
56.05036	12.7
57.03429	5.9
57.07070	3.5
58.06588	3.8
58.08006	1.2
65.03942	3.1
67.05503	38.6
68.05034	6.8
69.03421	4.1
69.07075	16.1
71.05001	1.4
71.08604	1.5
71.59198	1.5
73.02911	2.1
74.34916	1.3
78.28616	1.3
79.05486	14.0
80.05016	5.5
81.03414	4.6
81.07055	32.2
82.06573	3.2
83.04960	1.4
83.08620	8.4
84.04507	2.7
85.02899	6.8
86.06067	11.3
91.05488	8.4
92.05013	5.2
93.05785	1.9
93.07047	11.3
94.06562	9.6
95.04969	13.9
95.08607	23.8
96.04481	5.1
96.08139	1.5
97.02918	3.2
97.06540	2.4
97.10173	3.5
98.06062	8.6
99.04474	1.9
105.04471	1.4
105.07024	4.5
106.06553	11.9
107.07009	1.2
107.08573	6.8
108.04493	1.4
109.02912	1.7
109.10181	8.9
110.06043	9.1
112.03990	1.6
116.07099	1.7
117.49911	1.2
119.08602	3.7
121.10166	3.8
122.06030	47.3
123.11710	2.3
124.07584	4.7
127.03910	3.5
128.07076	3.2
133.10133	3.7
134.06012	4.8
135.11673	5.0
140.07060	26.2
147.11673	1.6
152.07069	25.4
161.13254	1.6
170.08139	15.8
188.09180	73.4
206.10207	9.6
220.03717	19.2
224.11577	1.3
250.04924	1.9
263.23718	1.5
276.06305	3.4
286.06781	1.3
294.07358	3.7
301.71478	1.5
337.27365	100.0
338.27591	1.8
538.22632	0.9
538.29260	36.4
556.30383	48.8
568.30304	3.4
586.31110	5.5
604.32458	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	640.5141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	22.7
57.03417	11.1
57.07074	40.3
59.40049	4.7
64.07552	4.6
67.05505	46.8
69.07057	18.9
71.08645	25.0
71.09003	11.2
79.05476	40.8
79.38685	4.5
81.07047	54.3
83.04975	6.2
83.08614	16.2
85.10155	13.6
89.06027	8.8
91.05465	28.1
93.07040	30.1
95.04927	10.6
95.08595	35.3
97.06524	5.2
97.10162	9.7
105.07002	21.2
107.08571	11.4
109.10129	15.9
111.84283	5.5
117.06995	11.2
119.08568	18.7
121.10115	10.4
131.08563	17.9
133.10103	13.9
135.11688	8.7
143.08543	7.1
145.10106	12.0
149.13225	7.4
159.11699	6.8
163.33357	6.3
177.80202	4.6
195.13860	6.3
214.87373	4.4
245.77995	5.0
255.15768	13.5
257.19025	6.5
269.17523	11.1
275.20093	18.0
313.27344	60.0
349.23810	11.8
493.38718	17.8
507.33560	5.2
507.40475	100.0
587.47003	11.7
605.47168	7.7
655.01935	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	640.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65690	1.2
56.05015	3.7
60.04522	1.5
67.05486	1.7
69.03419	1.9
70.06596	32.4
70.25961	1.2
71.06921	2.2
71.58193	2.2
72.08161	8.7
74.06040	2.6
76.02213	3.7
79.05481	1.4
84.04508	7.7
84.08134	11.8
85.02917	7.2
86.06060	1.7
86.09699	11.1
91.05479	2.0
95.04974	3.3
97.02924	1.5
98.06025	1.4
101.07143	2.3
102.05545	3.8
103.05450	2.2
107.04958	100.0
108.05283	1.4
109.10183	1.6
109.12167	1.6
110.07166	8.0
113.07146	2.1
117.07004	1.7
120.08131	3.8
121.06541	1.9
123.04415	10.4
129.10239	10.1
130.05008	3.2
131.04898	4.0
131.08562	2.1
133.06538	8.6
136.07574	2.8
144.05702	1.6
145.06482	29.8
147.08008	3.0
157.06520	16.7
159.08060	10.8
169.06444	3.1
169.07776	1.6
175.07545	10.0
179.04884	2.9
184.07381	2.8
187.07571	4.4
192.28998	1.2
205.08598	16.2
208.09062	1.3
223.11121	1.3
236.08232	1.6
245.09534	2.3
248.08139	1.8
251.10550	6.4
259.08713	1.4
263.10703	6.7
281.11722	3.8
308.09058	3.0
383.76111	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.8
55.05501	1.5
56.05037	1.7
57.03429	1.4
60.04511	1.7
61.02921	3.4
67.05489	1.3
68.27029	0.8
69.03428	8.7
69.07076	0.7
70.02920	0.7
70.06591	26.2
70.37591	1.4
70.37991	1.8
71.06946	1.0
72.08156	6.0
73.02917	0.7
74.06049	0.9
79.05502	1.4
81.03412	3.2
83.06099	0.9
84.04501	6.0
84.08142	10.6
85.02426	1.4
85.02905	18.3
85.79076	0.7
86.09705	8.5
87.04502	1.6
87.05595	1.5
88.04004	1.4
91.03943	1.1
91.05474	2.6
93.76328	0.7
95.04964	1.5
97.02897	6.2
98.98493	0.7
99.04441	0.8
101.07158	1.0
102.05508	1.0
103.05472	4.2
105.07035	1.4
107.04955	100.0
108.05320	1.5
109.02876	2.0
110.07154	3.3
115.05476	0.8
116.07052	0.7
117.07020	2.5
119.04929	2.0
120.08124	4.0
121.06523	0.7
127.03960	4.2
129.07014	1.7
129.10217	5.5
130.04993	1.7
131.04938	16.4
132.05673	1.2
133.06473	2.7
136.07603	2.8
141.06932	1.2
145.05005	3.1
145.06483	33.0
147.04420	1.1
147.08015	1.3
149.06000	2.0
155.08226	0.7
156.07671	0.7
157.06438	7.2
159.08035	1.7
159.09236	0.9
169.06493	6.9
169.13356	0.9
171.07945	1.1
175.07579	2.9
179.08461	0.9
184.07349	1.8
187.07550	2.9
201.12367	0.7
202.07852	2.1
207.08174	1.2
217.10187	1.2
219.08098	1.4
220.08893	1.7
221.09560	0.7
223.07487	1.4
223.11101	1.2
233.09647	1.1
235.11101	3.7
245.09679	1.6
248.08275	1.5
251.10672	23.7
263.10678	24.7
265.12332	0.9
275.10733	0.9
281.11749	8.9
293.15289	0.8
357.80371	0.8
443.17062	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	640.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87311	0.5
53.00299	0.5
53.03933	0.7
55.01859	0.7
57.03430	0.5
61.02930	0.8
69.03423	2.1
69.26015	5.0
69.26424	0.7
70.06591	5.6
72.08134	1.0
79.05498	1.3
81.03413	1.5
84.04507	1.1
84.08138	2.0
85.02903	11.7
86.09687	2.4
91.05473	1.9
95.04942	1.5
97.02891	2.7
99.04437	0.8
103.05466	3.5
104.05284	0.5
107.04949	100.0
108.05284	1.7
109.02880	1.1
110.07146	2.2
115.05457	1.6
117.07013	2.4
119.04952	2.8
120.08092	1.3
127.03883	2.8
129.07005	3.9
129.10233	1.7
131.04924	19.8
132.05696	2.3
133.06494	1.2
141.06960	1.7
145.05009	1.7
145.06479	36.0
146.06862	0.7
147.04353	0.5
147.08070	0.9
149.05977	2.1
157.06493	9.4
162.02318	0.5
169.06487	9.5
175.07556	2.0
179.08591	0.7
184.07378	0.6
187.07535	3.5
194.07231	0.9
195.08081	0.9
202.07831	1.8
205.10023	0.9
207.08076	1.1
210.06705	0.6
215.08577	1.1
217.10124	1.5
218.07288	1.2
219.08134	0.9
220.08809	2.9
221.09612	0.7
223.07553	1.4
223.11179	1.6
231.08188	0.6
233.09608	1.7
235.11127	5.6
236.08379	1.8
237.09132	1.3
245.09579	3.8
246.10539	1.2
247.07614	1.2
248.08331	2.8
249.08914	0.6
251.10670	31.1
252.02351	0.7
252.10977	1.0
253.12259	0.9
261.09113	1.2
263.10654	34.7
264.11020	1.4
275.10660	0.6
281.11728	7.4
413.15753	0.8
421.33240	0.5
425.15775	2.5
431.78149	0.5
443.17007	13.0
499.13080	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.41
Annotation	Filipin II
Peak:m/z	Relative Intensity
52.58218	0.6
53.03930	1.5
55.01861	1.7
55.05508	29.4
57.03426	1.6
57.07076	3.9
61.02913	0.8
65.03948	0.7
67.05508	6.7
69.07066	22.6
69.65716	3.5
69.66142	1.0
71.05004	0.7
71.08637	5.1
79.05492	6.6
79.87513	0.6
81.03409	1.1
81.06583	1.2
81.07055	15.1
83.04980	0.8
83.08617	39.5
85.02899	6.3
85.06540	1.7
85.10178	2.4
91.05483	5.6
93.07037	14.9
95.04948	1.4
95.08600	21.7
97.02894	2.6
97.06524	1.8
97.10163	13.3
99.04469	0.7
105.07043	3.7
107.05009	0.6
107.08597	13.8
108.62796	0.6
109.02869	1.0
109.06514	1.8
109.10146	9.4
111.08092	3.9
111.11708	6.9
117.07053	1.3
119.08595	1.8
121.06498	2.7
121.10146	20.0
121.62173	0.6
123.08053	1.4
123.11708	7.3
125.09653	2.4
125.13284	0.7
127.03943	1.7
131.08583	1.4
133.10107	1.3
135.08104	0.9
135.11665	4.5
137.05972	3.1
139.11145	0.9
143.08559	1.2
145.04959	1.5
145.10110	1.9
147.08058	1.9
147.11646	0.8
149.02370	8.2
149.03470	1.5
149.13292	1.1
151.07585	3.2
155.08516	1.0
157.10109	1.0
159.11732	0.8
161.09642	1.1
163.11159	0.9
165.95988	0.6
169.08638	1.4
177.16385	10.3
179.18036	1.2
185.13354	1.1
187.14760	1.1
193.04939	7.5
195.17430	3.6
197.19119	1.1
199.14790	1.0
201.16379	0.8
217.15965	0.7
219.13750	1.2
228.23553	0.8
229.15915	1.6
237.07599	5.5
245.15353	1.6
247.16907	6.9
263.16403	1.9
265.17938	5.0
287.23785	0.7
357.22745	2.3
385.09183	1.0
399.20233	1.5
404.61111	0.8
425.21701	7.8
427.23309	1.9
429.11719	2.0
441.33109	1.4
459.34827	3.1
561.37854	1.1
575.39600	0.9
577.13470	1.4
603.39001	1.2
621.16290	2.5
621.39923	100.0
622.40210	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	639.41
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46709	1.4
53.87683	1.2
55.05515	8.7
56.05023	1.4
57.07067	5.4
67.05506	22.9
69.07062	4.4
70.06593	17.4
71.58820	1.4
72.08146	4.6
74.06082	1.3
78.87505	1.3
79.05474	4.1
81.07063	15.8
81.77430	1.3
83.08614	13.1
84.04507	2.6
84.08170	6.7
85.02896	1.5
86.09713	7.6
91.05473	5.0
93.07037	9.0
95.08618	11.9
97.10204	1.8
105.07036	5.1
107.04945	6.1
107.08607	14.3
109.10157	100.0
110.07156	4.0
110.10474	1.6
117.06995	2.0
119.04993	2.9
119.08556	4.0
120.08101	7.4
121.06508	5.4
121.10132	6.3
123.11684	3.0
127.11197	70.8
129.10249	3.7
131.08554	3.0
133.06470	1.7
133.10156	1.7
135.11691	1.5
137.13258	19.2
145.10094	3.5
147.08022	2.4
147.11691	3.2
159.08086	11.1
159.11632	1.6
171.11655	2.9
173.09631	4.3
173.13220	3.2
175.11151	5.0
184.07358	2.7
185.13274	3.9
187.11122	3.3
190.38895	1.3
191.17920	2.1
199.11075	1.7
199.14883	2.8
201.12709	13.8
203.14270	7.6
213.12675	1.6
215.14301	8.3
227.14380	3.1
231.13760	9.4
233.15425	4.8
235.14990	1.4
245.15381	5.0
262.03079	1.6
279.21503	1.7
285.18295	2.9
287.20090	8.0
303.21008	1.5
313.21582	5.2
315.23209	50.0
316.23560	1.6
321.22055	3.7
325.21600	3.9
339.23221	24.9
343.22598	9.8
353.24683	2.2
423.32562	15.6
441.27838	2.8
441.33661	45.6
441.39777	2.4
442.33945	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	639.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57560	0.2
55.01862	0.3
55.05508	0.6
57.03445	0.3
59.04998	0.2
67.05508	1.2
69.03429	0.2
69.07067	0.7
72.08142	0.3
72.13878	0.2
73.02932	0.4
75.79678	0.2
78.13562	0.2
79.05509	1.4
81.07047	1.2
83.01093	1.0
83.08580	0.3
85.58141	0.2
87.04459	0.5
88.07625	0.3
89.06016	2.0
91.05482	1.0
91.07610	0.2
93.07044	0.8
95.04934	0.7
95.08616	0.7
97.06532	0.2
103.05486	0.3
105.04540	0.2
105.07026	8.1
106.07387	1.0
107.04950	0.6
107.08575	0.5
109.06504	0.4
109.10169	0.3
111.04202	3.1
113.05971	0.3
119.08572	0.6
121.06525	0.3
121.10128	0.3
127.03662	2.5
129.06979	0.3
131.08583	0.6
133.08644	0.8
133.10129	0.5
139.07285	0.4
141.05235	0.4
145.10039	0.3
147.08026	0.4
155.06781	2.0
156.07619	0.2
169.08455	0.3
171.06265	2.2
171.07573	0.2
177.11259	0.2
183.09972	0.4
185.07904	0.6
188.06610	0.5
199.09407	2.7
201.07391	0.3
215.08818	1.2
227.12596	0.5
232.09265	0.4
243.12090	1.0
259.11526	0.5
268.30051	0.4
271.15137	1.0
273.18378	0.3
276.48819	0.2
287.14633	1.8
303.14212	0.5
315.17828	0.4
331.17261	0.3
347.16745	0.7
375.19791	1.5
391.19333	0.8
419.22510	0.4
513.26727	0.6
553.29694	3.2
567.31732	0.6
639.40759	100.0
640.41022	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	639.356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37619	0.3
55.01885	0.6
55.05532	1.3
55.93526	2.5
56.94332	0.6
56.96565	5.2
67.05508	3.5
69.03443	0.6
69.07061	1.7
70.95889	1.6
71.24257	0.4
71.93027	0.9
71.95308	0.6
72.93784	4.5
72.94119	0.3
73.94592	0.4
79.05489	3.7
81.03015	0.3
81.03451	1.1
81.07052	3.5
81.07442	0.3
83.08630	0.3
85.02934	0.4
85.69402	0.3
88.96943	1.1
90.94827	3.6
91.05474	3.4
93.07033	2.0
93.46815	0.4
95.04987	1.2
95.08634	1.5
97.06542	0.8
97.10187	0.7
98.97617	0.4
101.06025	0.4
105.07029	3.1
107.05008	1.2
107.08630	1.6
108.95924	0.8
109.06546	1.0
109.10162	1.0
110.97646	0.4
113.96440	0.5
116.96384	0.4
116.98661	0.6
117.07031	1.8
119.08580	1.8
121.06533	1.1
121.10168	0.7
124.64122	0.3
125.09621	0.5
126.98413	0.7
128.96402	1.1
128.98624	1.2
129.07053	1.1
130.97960	0.4
131.08609	1.6
133.10173	1.1
134.97412	0.7
138.98363	0.7
141.07042	0.7
142.07802	0.6
142.97943	0.5
143.08594	1.6
144.95848	0.4
144.99461	0.6
145.10162	1.0
146.97372	0.6
146.99667	1.4
147.11736	0.8
148.99016	0.6
149.09621	0.7
149.13278	0.5
150.98508	0.7
151.02005	0.4
151.97745	0.7
154.97894	0.9
155.08638	0.6
156.99405	0.4
157.10220	0.8
158.97505	0.5
159.08083	0.5
159.11703	0.8
161.09644	0.6
162.96983	0.6
163.11189	0.4
165.00040	1.4
165.03731	0.4
166.97963	1.4
168.99503	1.2
169.10225	0.4
170.97360	0.5
171.03348	1.1
171.11571	0.5
172.98952	0.8
175.01961	0.6
176.98471	0.7
178.97925	1.1
179.01616	0.6
180.99527	1.3
183.01082	0.7
183.11667	0.5
184.98965	0.8
185.04881	1.5
186.01202	0.4
187.00540	0.7
189.04257	1.6
191.05748	0.4
192.99477	0.9
193.03146	0.7
195.01117	0.8
195.11896	0.3
196.99086	0.6
199.00529	1.1
199.02180	0.6
199.06415	1.9
199.97646	0.4
201.03755	0.6
203.05956	3.0
204.99571	0.5
205.03180	0.5
207.01048	0.9
208.98996	0.4
209.02698	1.1
209.04773	0.5
211.00562	0.8
212.02917	0.6
213.01918	0.6
213.03677	1.7
213.08026	0.4
214.99921	0.5
215.03522	0.6
215.05342	0.6
216.99495	0.6
217.03203	0.8
217.07506	3.2
219.00993	0.5
221.02678	0.5
221.07106	0.4
223.00575	0.5
223.02580	0.7
225.03856	0.6
226.05032	0.5
227.05298	1.3
229.03336	0.6
229.07326	0.6
231.01001	0.6
231.04747	0.6
233.02432	0.5
235.00539	0.5
235.04305	0.7
237.02066	0.4
237.04239	1.5
239.09714	0.4
241.07332	0.6
249.02049	0.5
253.06825	1.4
253.11014	0.4
255.08665	1.6
257.10062	0.5
262.08658	0.7
267.08826	1.0
271.12280	0.5
273.18613	0.4
275.07376	0.5
275.20068	1.8
277.06879	1.2
278.06021	1.2
278.08496	0.7
279.08505	4.4
280.09912	1.4
281.09915	2.3
285.09982	0.6
291.06696	1.0
291.19550	2.6
292.07529	0.5
296.06921	0.6
297.07666	4.4
298.10645	0.7
299.11346	0.4
301.08984	0.5
303.10556	1.1
305.08405	0.6
305.11758	0.5
307.15771	0.4
309.07825	2.3
317.11374	0.4
323.13101	0.4
325.08780	1.3
325.16965	0.5
327.10452	2.7
329.11371	1.8
331.15732	9.8
345.11398	6.5
346.13330	0.8
347.12811	45.5
348.13428	1.0
349.16846	51.5
350.17126	0.6
363.12485	3.0
364.14343	2.2
365.14026	100.0
366.14395	2.1
367.17722	1.6
372.14227	0.6
372.18423	4.8
386.14185	0.8
388.15591	14.3
521.06085	0.4
639.34656	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	2.6
53.03946	11.2
55.01867	17.0
55.05259	2.7
55.05508	36.7
57.03432	13.7
57.07075	3.2
59.05003	2.9
61.02924	3.6
65.03925	5.4
65.71824	1.9
67.05502	100.0
69.03424	41.1
69.07063	35.1
71.01367	4.3
71.05000	13.0
71.59368	2.6
73.02926	2.8
79.05487	68.0
81.03415	77.7
81.07053	91.4
83.01348	2.4
83.04970	24.0
83.08611	22.0
85.02905	16.9
85.06546	8.3
91.05476	57.8
93.07040	65.6
95.04966	24.7
95.08595	37.6
97.02885	24.8
97.06527	16.5
97.09195	2.6
97.10163	15.1
99.04454	8.2
99.08106	4.0
105.07027	40.3
107.04947	26.3
107.08585	42.0
109.02886	22.5
109.06525	16.0
109.10133	26.0
111.04417	9.7
111.08041	9.9
113.06000	7.3
117.07010	24.8
119.08573	29.5
121.06480	9.1
121.10136	21.2
123.04401	4.3
123.08059	5.7
123.11698	4.8
125.09626	12.8
127.03915	18.2
127.11091	2.0
128.06227	3.8
129.05569	2.9
129.07028	10.6
130.07808	2.5
131.04994	2.5
131.08572	23.4
133.06502	5.8
133.10121	24.0
135.08073	9.7
135.11693	14.2
137.05922	2.7
137.09584	2.8
141.06998	4.7
143.08546	11.4
145.06453	4.3
145.10106	22.0
147.08043	6.2
147.11722	9.2
149.05960	2.4
149.09630	9.1
149.13222	16.1
151.11208	2.5
153.12752	5.8
155.08577	5.4
157.10159	8.5
159.08151	2.5
159.11691	17.3
161.09653	7.9
161.13298	4.5
163.11179	25.2
169.10107	6.0
171.08197	2.6
171.11713	5.7
173.04448	27.4
173.09602	5.5
173.11858	4.2
173.13266	3.5
175.11186	6.8
177.12746	7.7
181.10123	3.5
181.12256	7.4
182.91626	1.9
183.06609	3.0
183.11705	4.9
185.13164	4.0
187.11169	3.7
189.11220	5.4
189.12752	2.6
191.10663	11.5
193.10179	2.2
193.12294	5.4
195.11794	2.9
195.13812	9.3
197.13368	2.9
209.11711	19.4
209.13379	2.9
211.13193	3.0
213.14879	2.6
219.13870	2.6
225.11192	4.1
227.12753	25.4
229.14320	5.2
257.19028	5.3
259.20746	2.2
261.73801	2.1
267.15948	4.0
269.17499	17.0
273.15820	2.3
273.18442	11.6
275.20117	11.5
279.99933	2.1
281.13718	2.2
283.15302	10.1
291.19559	12.3
301.16418	2.4
303.15909	4.3
347.22186	3.2
353.15918	7.3
371.17093	3.6
395.20572	2.0
407.26944	2.2
423.27344	7.4
427.19525	5.3
459.27316	5.3
477.28561	10.0
495.29526	7.7
527.33386	2.5
565.39197	2.5
621.32306	10.8
621.41357	7.6
639.33368	47.8
639.42493	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	639.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.5
55.01852	0.6
55.05516	2.4
55.93506	2.9
56.92237	0.4
56.94303	0.9
56.96553	3.6
57.03409	0.4
58.06916	0.4
65.35326	0.4
67.05508	3.9
69.03407	0.5
69.07061	2.7
70.41202	1.3
70.95844	1.7
71.92986	0.9
72.93447	0.5
72.93780	5.0
79.05480	4.2
81.03413	2.0
81.07044	4.8
83.04953	0.9
83.08627	0.7
85.02902	0.5
88.96879	1.0
89.06006	0.5
89.90210	0.5
90.94827	2.9
91.05472	4.7
93.07037	2.6
95.04977	1.0
95.08590	2.1
97.10130	0.8
105.07023	4.4
107.04918	1.7
107.08583	2.7
108.95848	1.3
109.06507	0.8
109.10118	1.1
113.97638	0.4
117.06985	1.6
119.04893	0.4
119.08574	2.2
121.06471	0.8
121.10100	1.1
125.09626	0.7
126.98388	0.8
128.96309	1.3
128.98566	0.6
129.06963	1.3
130.97908	0.4
131.08571	2.2
133.10095	1.5
135.08025	0.6
138.98389	1.6
141.06982	0.6
143.08504	1.6
144.95772	0.7
144.99467	0.7
145.10100	1.5
146.97318	0.7
146.99606	1.3
147.08055	0.6
147.11633	1.1
148.49481	0.4
148.98895	0.7
149.01230	0.5
149.09531	0.5
149.96086	0.4
150.98355	0.5
151.97658	0.8
152.99992	0.6
154.97867	0.9
156.99484	0.7
157.10089	1.3
158.97392	0.5
159.11678	1.4
161.09645	0.4
162.96902	0.8
163.11136	0.7
164.99930	1.3
165.09065	0.5
166.97862	1.2
168.99475	0.9
169.10121	0.6
170.97350	0.6
171.03273	0.7
171.11716	0.6
172.98869	0.9
173.13232	0.6
176.98373	0.6
178.97888	1.1
179.01511	0.6
180.99411	1.2
183.00999	0.6
183.98195	0.9
184.98911	1.4
185.04823	0.9
185.13208	0.5
186.01250	0.7
189.04224	1.0
192.99396	1.5
195.00990	1.0
196.98923	1.2
199.00444	1.0
199.02090	0.8
199.06409	1.2
200.02837	1.1
201.01950	0.5
201.03696	0.5
203.05435	0.8
203.73242	0.4
205.03055	0.5
207.00975	1.2
209.02565	1.0
211.00468	0.9
213.01834	0.8
213.03589	1.8
215.03450	0.5
215.05241	0.9
215.28870	0.4
216.99432	0.7
217.03093	1.0
217.07449	3.0
221.02490	0.6
223.02516	0.6
227.03537	1.1
227.05446	0.8
227.12674	0.7
228.05779	0.5
229.03075	0.7
229.07010	0.5
231.00903	0.7
233.02603	0.8
235.00386	0.7
235.04141	0.5
237.01938	0.6
237.04086	1.1
239.03415	0.6
247.04192	0.6
249.02045	0.7
250.04582	0.5
253.06760	1.6
255.08249	1.8
257.10385	0.6
257.18875	1.0
262.08563	0.6
267.08743	1.1
273.18329	1.0
275.20001	2.5
277.06622	1.2
278.05948	1.2
279.08441	4.9
280.09619	1.2
281.09869	2.2
291.06412	0.6
291.19510	2.7
295.06537	0.5
296.06851	0.7
297.07584	4.2
298.10858	0.6
299.10898	0.7
301.08798	0.5
303.10416	1.4
305.11920	1.4
307.15640	0.5
309.07858	2.6
325.08743	0.9
325.16379	0.7
327.10315	2.5
329.11331	2.2
331.15726	7.2
343.09644	0.5
345.11383	6.6
346.12967	0.9
347.12848	48.1
348.13251	1.4
349.16824	39.3
363.12415	2.9
364.14432	1.7
365.14008	100.0
366.14383	2.7
367.17880	1.3
372.18198	2.6
388.15591	14.0
389.15750	0.6
639.34009	10.8
639.42621	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	638.5196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.3
55.05503	1.5
56.05037	0.4
57.03412	0.3
57.07071	7.5
58.06595	3.4
58.94480	0.3
67.05497	1.3
68.05022	0.9
69.07046	1.2
70.06585	24.5
71.08624	3.3
71.65894	0.2
72.08150	3.1
73.02888	0.2
75.43559	0.2
79.05492	1.2
81.03449	0.3
81.07050	1.2
83.04984	0.3
83.08612	0.4
84.08131	4.3
85.10162	1.4
86.06068	0.5
86.09692	4.7
86.10167	0.4
87.04473	0.5
88.07621	13.1
89.06017	3.8
91.05486	1.0
93.07039	1.3
95.04965	0.4
95.08591	0.6
97.06528	0.3
97.10131	0.3
98.72942	0.2
100.07594	0.6
101.08516	0.2
102.09171	9.4
105.07014	1.4
107.04942	0.4
107.08575	0.6
109.06519	0.4
109.10135	0.4
114.09154	3.8
117.07034	0.5
119.08604	0.5
121.06475	0.4
121.10173	0.3
124.53238	0.3
125.11636	0.2
128.10721	0.3
129.07053	0.3
131.08542	0.4
132.10197	3.8
133.08614	0.4
133.10135	0.4
135.11688	0.4
143.08638	0.4
145.10025	0.3
146.11751	3.5
157.10147	0.3
159.11708	0.3
176.12801	1.4
190.14429	0.7
219.47308	0.3
268.29996	2.9
273.18573	0.4
294.31604	3.0
296.33075	2.4
312.32565	28.5
322.22342	0.3
327.66498	0.3
356.35199	15.7
400.37784	8.7
444.40527	0.7
488.43216	0.6
532.45624	3.6
576.48322	2.9
620.50977	5.4
638.51923	100.0
638.93317	2.6
639.42914	0.3
639.52673	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.5215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28906	0.2
53.03919	0.6
55.01832	0.2
55.05510	2.3
57.03396	0.7
57.07071	7.9
57.90039	0.3
58.04189	0.5
58.06596	7.1
59.04978	0.2
61.02893	1.0
67.05465	0.7
68.38467	0.2
69.03383	0.5
69.07069	2.0
70.06584	3.5
71.04961	0.5
71.08630	3.4
72.08112	0.7
73.02915	4.3
73.06510	0.6
74.03217	0.4
78.04185	0.2
79.05492	1.6
80.05467	1.1
80.55653	0.4
81.03390	0.5
81.07015	1.0
83.08609	1.4
84.08124	0.6
85.02902	1.3
85.10174	2.6
86.09707	1.3
87.04464	2.7
88.04748	0.5
88.07639	1.7
89.06025	10.0
90.06327	1.0
91.03923	0.7
91.05474	2.0
91.06393	0.3
92.05782	0.3
93.07001	1.1
95.04941	1.4
95.08567	0.4
97.02856	0.7
97.10130	0.7
98.03117	0.3
98.21482	0.6
102.06750	1.1
102.09134	0.8
102.56945	0.5
103.03920	0.5
103.05453	1.5
104.05746	0.3
105.07021	22.8
106.06680	0.3
106.07358	6.2
107.04929	0.6
107.07033	0.3
107.07679	0.6
107.08562	0.3
109.10149	0.3
113.05975	0.3
114.09136	0.8
119.04922	0.3
119.08528	1.0
121.06485	3.1
122.06806	0.9
124.08064	0.4
127.03883	0.5
130.08629	0.3
131.07005	0.5
131.08537	1.0
132.08844	0.3
132.10161	0.4
133.07640	0.3
133.08592	4.6
133.10052	0.4
133.58739	0.3
134.08859	1.0
143.08557	0.2
145.10095	0.4
146.09291	0.4
146.11711	0.3
147.08022	2.4
147.11653	0.3
148.08324	0.9
149.09586	0.6
165.09061	0.3
177.11188	1.0
178.11520	0.3
184.07248	0.3
197.60759	0.3
221.13625	0.3
225.12747	0.7
226.13158	0.7
240.23970	0.2
268.29965	57.5
269.30222	1.4
284.97440	0.3
291.19409	0.4
294.31531	0.8
296.33105	0.5
312.32574	4.8
313.27298	0.5
314.27637	1.5
356.35211	1.4
357.33240	0.3
400.37695	1.5
444.40326	1.4
488.43079	1.0
532.45929	0.3
620.51105	0.6
634.76862	0.3
638.51929	100.0
639.42310	0.8
639.52167	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	638.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19045	4.1
55.05497	18.0
57.07076	23.5
57.07301	4.4
67.05497	11.2
69.07073	23.6
69.47269	36.7
71.08611	16.0
81.07043	17.3
83.08611	22.9
85.10149	7.8
95.08595	15.9
101.19815	4.3
107.08558	10.8
123.11732	5.3
146.93228	4.8
149.13272	8.1
167.14302	9.8
202.15921	24.9
241.17967	17.0
300.13562	25.8
313.27515	5.8
418.07916	5.0
442.34241	5.0
497.41953	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.52
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
55.05504	1.4
56.05028	0.3
57.03431	0.3
57.07072	4.8
58.06596	2.7
66.55572	0.3
67.05494	1.4
68.05032	0.5
69.03417	0.3
69.07054	1.2
69.98186	0.8
70.06588	18.6
71.08627	2.3
72.08149	3.2
73.02909	1.2
73.06571	0.3
75.08113	0.2
79.05497	1.6
81.03419	0.3
81.07051	1.7
83.08603	0.6
84.07677	0.5
84.08138	4.6
85.10177	0.9
86.09702	6.2
86.10225	0.3
87.04467	1.1
88.07626	5.5
89.05480	0.4
89.06023	7.6
91.05473	1.8
93.07050	1.7
95.04958	0.7
95.08613	1.0
97.10153	0.4
97.15416	0.2
98.20761	0.3
100.07584	0.3
102.09170	3.7
103.05442	0.6
105.07027	7.4
106.07348	1.9
107.04941	0.5
107.07817	0.2
107.08595	0.7
109.06558	0.3
109.10143	0.4
114.09159	5.3
117.07018	0.8
119.08585	1.1
121.06483	1.4
121.10130	0.3
129.07033	0.6
130.08653	0.5
131.08571	0.7
132.09282	0.3
132.10168	1.3
133.06540	0.3
133.08559	1.7
133.10130	0.4
134.08917	0.3
143.08569	0.4
145.10075	0.4
146.11732	1.8
147.08095	0.8
147.11713	0.3
148.08423	0.3
149.09663	0.3
155.08589	0.4
157.10161	0.4
159.11720	0.3
169.10144	0.2
176.12860	0.6
177.11261	0.5
190.14389	0.8
209.13284	0.3
220.13641	0.3
220.15434	1.2
224.79179	0.2
234.17038	1.1
264.18210	0.7
268.29944	3.0
273.18225	0.3
275.20041	0.3
278.19479	0.6
291.19653	0.6
294.31546	3.3
296.33151	3.2
310.30972	0.3
312.32568	11.6
353.96680	0.3
356.35233	5.7
400.37830	4.0
444.40454	13.5
445.40359	0.3
488.43082	10.2
507.23566	0.3
532.45483	1.6
576.48346	1.1
620.51227	2.0
621.41449	0.6
638.51947	100.0
638.93646	1.0
639.42487	0.8
639.52368	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	0.5
57.03441	0.4
60.04496	0.4
61.02918	0.9
69.03432	1.2
69.59371	2.9
70.06591	3.5
71.04997	0.8
71.60830	0.4
72.08157	0.8
73.02905	0.8
73.06558	1.5
81.03407	0.5
83.06114	0.4
84.04522	0.7
84.08160	0.9
85.02900	3.3
86.09734	1.0
87.04457	6.7
89.06025	100.0
89.71485	0.4
89.75383	0.4
91.05487	0.7
91.07590	0.7
97.02879	0.9
98.97556	0.4
102.05547	0.7
103.05436	0.4
105.07090	0.5
107.04957	1.7
107.07061	4.7
110.07101	0.4
115.24895	0.4
116.07134	0.4
117.09142	0.8
119.04954	0.6
120.08066	0.5
122.03654	0.6
129.10271	0.4
130.08646	0.7
131.04944	0.5
131.07016	2.9
133.08595	65.4
135.10176	0.7
136.07614	0.5
137.05972	3.8
138.34106	0.4
147.04399	0.5
161.11761	0.5
175.09657	1.9
177.00710	0.4
177.11214	27.9
184.54791	0.4
185.09250	0.6
204.06621	0.4
221.13811	5.3
237.02846	0.5
239.14877	2.5
265.16525	1.0
278.89822	0.4
283.17474	2.9
286.14267	0.5
304.15216	0.6
309.19031	0.7
327.20093	1.6
337.08945	0.5
353.21628	0.9
371.22818	2.0
415.25354	1.8
459.27982	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	638.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83276	0.3
55.05510	1.0
56.05033	0.7
57.07067	0.7
58.06599	0.5
60.07877	0.5
60.08164	6.8
66.65059	0.3
67.05506	0.7
69.07063	0.6
69.31118	0.7
69.31524	2.8
71.04978	0.6
71.07374	3.5
71.08631	0.5
79.05496	0.7
81.07042	1.2
86.09707	33.4
91.05480	0.5
93.07043	1.1
95.08598	1.0
97.10166	0.5
98.98451	3.5
104.10731	2.7
105.07043	0.5
107.08539	0.5
109.10165	0.3
125.00003	20.3
131.08560	0.3
143.01073	0.5
184.07341	100.0
185.07701	0.6
210.14902	0.4
222.36362	0.3
228.15994	0.6
496.34094	0.4
497.38455	2.9
638.43774	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	638.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01856	1.3
55.05508	7.7
56.05026	1.2
57.03441	7.3
57.07072	0.7
65.03922	1.5
65.75365	0.5
67.05502	32.2
68.05020	0.9
69.03416	0.6
69.06338	0.5
69.07061	7.1
70.84235	1.3
71.04983	0.7
79.05492	16.8
81.03416	0.7
81.07053	27.8
83.04967	0.6
83.08616	1.9
85.06536	1.0
86.06084	1.2
87.43391	0.5
87.90478	0.5
91.04974	0.8
91.05479	8.6
93.07043	18.8
95.04964	3.0
95.08605	21.5
96.08948	0.6
97.06516	0.8
97.10186	0.6
98.06021	0.9
105.07017	4.5
106.06528	1.1
107.04945	0.6
107.08595	7.0
109.06518	0.9
109.09467	0.7
109.10155	7.1
110.06014	0.5
117.07011	1.2
119.08587	3.4
121.10148	5.7
122.06016	8.7
123.08033	0.6
123.11697	1.5
131.08556	1.7
133.10118	2.0
134.06012	0.8
135.11729	2.1
140.07043	0.7
145.10144	1.4
147.11705	1.2
149.13290	0.9
152.07071	2.4
159.11601	0.9
161.13312	0.8
170.08104	0.9
173.13216	0.6
188.09161	7.1
195.81139	0.6
206.10283	0.8
220.03697	25.2
236.05095	0.6
240.70340	0.5
250.04710	2.7
268.05814	4.8
286.06833	5.3
304.07974	2.5
335.25784	100.0
336.26151	2.0
476.27094	0.6
536.27679	0.7
554.28424	1.1
585.24066	0.6
665.84625	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
55.01862	5.4
55.05515	9.0
56.05039	13.0
56.90462	1.5
57.03421	6.4
58.06593	5.1
65.03940	4.2
67.05505	36.6
68.05035	8.5
69.03435	4.5
69.07069	12.0
70.06602	3.0
71.04996	2.1
71.59530	2.3
72.04496	2.5
79.05492	26.7
80.05023	8.2
81.03442	6.1
81.07059	29.2
82.06590	3.4
83.04970	2.7
83.08604	5.2
85.02910	7.2
86.06065	12.7
91.05473	16.0
92.05018	6.5
93.05762	2.6
93.07047	25.7
94.06568	8.5
95.04964	18.9
95.08601	22.4
96.04504	5.1
97.02895	5.4
97.10143	1.9
98.06047	10.2
98.97827	1.7
100.07590	2.2
105.07065	8.2
106.06561	12.1
107.04911	1.9
107.08603	13.4
108.04462	2.4
109.02886	1.8
109.10153	7.5
110.06040	9.9
119.08586	7.7
121.10144	9.4
122.06030	48.2
124.07566	5.5
124.13001	1.8
126.04575	1.7
126.05508	3.9
127.03906	4.1
128.06216	1.8
131.08566	4.6
133.10141	4.2
134.06000	6.5
135.11697	3.7
140.07050	29.2
145.10071	3.3
147.11734	3.5
149.13272	2.1
152.07060	26.6
170.08150	17.1
188.09190	75.5
206.10138	8.7
220.03708	20.7
224.11314	1.7
250.04747	3.8
255.00998	1.9
268.05936	1.8
276.06348	2.2
286.06815	2.3
294.07394	4.0
304.26328	7.0
335.25790	100.0
336.26199	2.1
358.80911	2.0
381.83218	1.8
481.22107	1.9
520.31061	1.9
536.27728	32.9
554.28778	46.8
566.28595	5.4
584.29608	7.3
602.30109	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	637.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.4
53.03933	0.8
55.05502	0.4
57.07059	0.9
67.05494	1.6
69.07059	2.0
70.09688	1.4
77.03895	0.4
78.99028	0.3
79.05494	1.9
81.03410	0.6
81.07047	1.1
91.05474	1.1
93.07050	0.6
95.04956	3.2
95.08599	0.9
98.20831	0.5
105.04481	0.3
105.07039	1.7
107.04948	100.0
108.05278	0.6
109.10133	0.5
115.07523	0.4
119.08610	0.5
123.08028	0.8
129.06949	0.3
133.06477	2.9
147.08035	1.9
161.09688	0.3
167.14362	0.7
173.09567	0.3
179.14305	1.7
199.06943	0.6
238.53026	0.3
240.88774	0.3
269.75287	0.3
273.18460	2.5
331.26471	0.5
333.27753	2.4
347.22281	0.5
359.95862	0.4
425.32477	2.3
439.32172	0.8
529.35193	0.9
531.36810	18.1
535.07629	0.4
637.40680	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.3
51.02381	0.5
53.03941	1.1
53.81764	0.2
55.01871	0.2
55.05487	0.4
56.03937	0.1
57.07071	0.3
58.04218	0.6
59.62641	0.2
63.18152	0.2
67.05489	0.7
69.07056	0.8
71.04996	0.3
71.60088	0.3
72.08171	0.2
73.02914	2.9
73.06537	0.5
77.03907	0.5
79.05486	3.3
80.05499	0.6
81.03398	0.3
81.07041	0.4
83.08610	0.3
87.04457	2.3
89.06025	8.4
90.06357	0.6
91.05482	1.3
93.07052	1.2
95.04967	3.1
95.08600	0.8
96.05273	0.2
102.06787	0.9
102.56909	0.2
103.05477	1.4
104.05769	0.2
105.04482	0.5
105.07025	27.5
106.07364	4.6
107.04947	100.0
107.08595	0.5
108.05270	0.4
109.06506	0.7
109.10137	0.2
113.06013	0.3
115.07536	0.2
117.06960	0.3
117.09094	0.4
119.04902	0.3
119.08581	0.9
121.06498	3.2
121.10168	0.3
122.06826	0.6
123.08064	0.7
124.08105	0.4
129.06961	0.2
130.08604	0.3
131.07027	0.3
131.08554	0.7
132.08878	0.2
133.08592	4.9
133.10152	0.5
134.08955	0.5
135.11726	0.2
137.09619	0.2
143.08533	0.3
147.08038	0.7
149.09610	0.3
149.13193	0.2
155.09863	0.4
157.10162	0.2
159.10149	0.2
160.97310	0.5
165.09126	0.5
166.07779	0.2
169.10094	0.2
175.09628	0.3
175.93973	0.2
177.11201	1.7
177.12741	1.2
179.14296	0.5
183.11607	0.2
213.09099	0.4
221.13699	0.3
223.11081	0.2
225.12749	0.8
226.13176	0.2
227.10921	0.2
263.20035	1.2
269.15259	0.4
277.21613	0.3
283.17337	0.2
332.65616	0.2
333.27939	1.4
351.28876	0.5
355.24643	0.3
423.30902	0.6
425.32574	1.8
439.31921	0.7
457.33099	0.2
513.35400	0.3
529.34802	0.7
531.36780	15.9
532.37366	0.2
637.40491	1.4
637.50153	0.3
640.76001	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.2
52.37394	0.2
53.03946	1.0
55.01861	0.3
55.05506	0.5
57.07060	0.3
59.00251	0.2
67.05489	0.8
69.07059	0.5
71.08605	0.2
71.58839	0.2
77.03915	0.3
79.05502	1.8
81.03415	0.3
81.07047	1.0
83.08610	0.2
86.09744	0.2
89.06014	0.5
91.05473	0.6
93.07004	0.6
95.04962	2.3
95.08595	0.8
97.06527	0.2
99.08057	0.3
105.04491	0.5
105.07030	2.3
107.04945	100.0
108.05275	0.4
109.06504	0.2
109.10172	0.3
119.08565	0.8
121.02869	0.2
121.06506	0.2
121.10128	0.5
123.08037	0.5
131.08548	0.2
133.06480	3.6
135.11710	0.2
145.06422	0.4
147.08054	2.1
159.08064	0.3
159.11714	0.2
167.14311	0.9
173.09610	0.4
179.14310	1.3
184.07298	0.3
187.11116	0.2
197.47969	0.2
213.09042	0.5
227.06602	0.2
273.18491	2.4
309.18307	0.2
317.88528	0.2
331.26367	0.4
333.27899	1.8
347.22195	0.6
351.28955	0.4
423.30966	0.6
425.32544	2.1
439.32025	0.7
460.66089	0.2
487.50604	0.2
529.35144	0.8
531.36768	18.6
536.54474	0.2
637.41028	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3942
Annotation	Eupteleasaponin VIII
Peak:m/z	Relative Intensity
52.61061	2.3
53.03951	2.7
55.01863	3.2
55.05498	12.3
57.03430	5.3
57.07080	15.0
59.60284	2.7
61.02911	6.3
65.12621	2.5
67.05492	11.5
69.03438	23.1
69.07066	17.7
71.04987	4.3
71.08620	9.4
71.28830	2.4
71.55725	2.4
71.59535	3.7
71.59930	2.6
73.02915	4.3
79.05474	9.7
81.03407	7.0
81.07060	12.9
83.08603	11.0
85.02905	42.6
85.10174	5.5
87.04465	4.9
91.05502	14.4
93.07050	21.0
95.04966	5.8
95.08625	12.8
97.02883	13.9
97.06524	3.9
97.10149	8.2
105.03428	2.6
105.07018	14.7
107.04961	4.7
107.08592	17.9
109.02872	6.4
109.06543	5.4
109.10159	11.6
111.08160	3.5
117.07027	6.7
119.08581	12.8
121.06489	12.0
121.10156	9.0
123.08106	4.9
123.11668	2.9
127.03922	8.9
129.07025	4.8
131.08548	9.1
133.06419	3.3
133.10081	4.6
135.04445	3.3
135.08023	9.6
142.07817	3.2
143.08569	8.1
145.05000	5.5
145.06453	5.5
145.10104	10.6
147.08023	9.6
149.05968	9.6
149.09627	3.1
150.00450	2.6
155.08548	7.5
155.59315	2.7
157.10124	5.8
159.08076	16.5
159.11681	6.0
163.07530	4.7
167.08543	3.0
169.10126	4.3
171.11722	2.8
173.09613	7.5
173.13278	4.5
173.68170	3.0
181.10121	4.0
183.11691	6.7
185.09590	6.5
185.13216	2.8
187.07561	3.4
187.11263	6.1
197.13303	3.8
199.14836	3.1
201.12720	31.3
203.10654	5.4
211.11217	5.7
213.12721	3.6
215.14346	5.6
219.11778	3.1
219.13756	8.7
225.12715	3.3
227.14288	6.5
229.12234	5.3
239.14288	5.0
243.13770	4.0
247.13210	7.0
253.16219	3.0
261.14813	4.6
271.13226	5.1
279.15833	5.0
281.15219	3.0
287.22897	3.4
289.14325	11.5
290.15079	3.7
297.91599	3.7
309.21912	3.0
315.23001	4.8
327.22791	2.7
333.24167	13.2
409.31027	9.7
411.32550	8.3
421.31018	7.0
423.32294	2.8
427.32336	14.2
429.33557	5.3
439.32224	15.7
457.33142	24.0
461.21469	13.1
474.50616	3.0
475.34369	15.0
476.50681	3.1
563.40900	3.5
589.37317	100.0
591.38831	40.9
601.37061	4.1
607.38483	6.6
619.38153	20.4
637.39587	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
53.13524	1.0
55.01864	1.4
55.05511	24.5
57.03443	2.2
57.07069	4.9
59.05000	1.5
61.02917	2.8
65.03924	1.3
67.05503	14.1
69.03424	14.2
69.07067	18.0
69.80298	3.2
69.80714	3.1
71.04981	4.2
71.08629	3.8
72.58583	1.1
73.02908	1.1
79.05486	6.6
81.03423	3.8
81.07052	28.9
83.05004	2.3
83.08622	15.5
85.02908	22.2
85.06535	7.9
85.10175	3.4
87.04464	3.9
91.05476	9.2
92.91822	1.0
93.07040	14.8
95.04986	4.8
95.08604	40.1
97.02893	6.3
97.06540	3.3
97.10168	22.7
98.21481	2.1
105.07026	10.6
107.04990	1.9
107.08589	13.9
109.02879	3.3
109.06519	24.2
109.10145	24.7
111.08099	3.6
111.11778	1.4
117.07047	1.8
119.04971	1.3
119.08580	12.0
121.06518	9.1
121.10170	9.1
123.08049	11.1
123.11718	3.2
125.06023	1.4
125.09625	2.0
127.03911	5.2
127.07566	4.4
129.07021	2.3
131.08551	3.1
133.10133	11.5
135.04448	2.1
135.08057	5.1
135.11647	7.1
137.05977	13.3
137.09612	6.8
137.13255	1.4
139.07553	2.1
141.09137	1.3
143.08563	2.9
145.04945	1.6
145.10179	4.8
147.08073	3.4
147.11739	4.6
149.13286	2.0
151.07544	5.8
151.11243	1.5
151.14815	33.5
153.09117	2.4
155.08577	1.5
155.10719	2.4
157.10175	3.1
159.08038	1.5
159.11722	2.4
161.09668	3.7
161.13283	1.8
163.11183	1.8
165.09146	1.1
165.16441	1.1
169.08607	19.5
169.09975	0.7
171.07990	2.7
171.11629	1.2
173.09633	2.5
173.13246	1.5
175.11122	1.6
175.14824	32.8
175.16277	1.9
177.16399	2.4
185.09621	1.0
185.13303	2.6
189.09174	3.2
193.15883	47.3
195.17603	1.6
199.14853	3.5
201.12828	1.7
201.16399	1.9
203.10645	1.4
203.14326	2.6
207.10216	5.8
211.14749	1.2
211.17120	1.0
217.15889	6.9
225.11298	2.3
227.14380	3.7
229.15863	5.9
235.16939	7.8
245.15370	18.6
247.16939	19.1
261.90192	1.2
263.16415	23.7
263.18948	1.8
265.18005	15.2
269.62436	1.1
293.92969	1.1
397.22269	6.9
409.22296	3.6
425.21674	42.1
426.22537	4.2
427.23312	17.5
439.32114	3.4
457.33301	5.5
475.34085	2.9
559.36749	1.4
588.08984	1.2
601.37396	3.8
619.38434	18.1
637.39453	100.0
638.39960	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.9
55.01865	2.1
55.05513	4.7
57.03440	18.2
57.07076	28.0
57.53753	0.9
61.02929	58.8
67.05515	10.1
69.03076	1.4
69.03431	21.9
69.07077	7.1
69.22617	1.1
71.01351	3.4
71.04974	3.2
71.08240	1.2
71.08633	19.1
73.02921	22.5
75.04475	1.4
79.05473	2.0
81.02979	1.5
81.03420	18.1
81.07059	12.4
83.01366	0.9
83.04951	2.0
83.08623	10.4
85.02906	67.5
85.10190	13.7
87.04463	2.6
89.06024	1.6
89.22399	0.9
91.03958	39.1
94.36703	0.8
95.04980	1.2
95.08607	16.8
97.02894	58.7
97.10168	4.9
99.04458	9.0
99.11737	1.0
101.02364	6.5
103.03946	8.5
105.07002	1.6
107.04884	1.0
109.02872	10.0
109.06509	1.2
109.10152	8.4
111.04433	1.2
111.11683	1.9
115.03925	5.6
117.05453	2.2
123.11691	3.4
125.20547	0.9
127.03925	25.0
129.05484	4.5
137.13211	2.3
144.20885	1.0
145.04948	17.0
159.06549	3.2
163.05984	3.7
183.06528	9.8
201.07567	6.6
219.08708	1.6
239.23709	22.5
239.26091	1.6
257.24741	3.3
313.27374	100.0
314.27942	1.7
341.26831	4.9
355.28442	4.4
367.28400	1.4
383.27890	1.9
385.29425	0.9
397.29504	1.1
421.29514	1.7
439.30435	1.8
457.31509	8.8
475.32645	1.9
637.37396	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14174	0.3
53.95782	0.3
63.42229	0.3
63.45060	0.3
67.05487	0.6
70.51550	0.7
70.51939	0.6
81.07055	0.7
86.09698	0.5
91.05529	0.3
95.08613	0.5
98.98475	2.6
110.12591	0.4
118.06554	1.5
125.00008	8.3
132.08064	0.7
133.08791	0.3
144.08086	9.5
145.08846	0.3
146.09705	0.5
151.65596	0.3
158.09642	4.4
159.10434	1.5
160.11140	0.5
172.11214	3.2
176.14342	10.6
184.07309	1.6
202.15912	96.1
203.16203	0.4
220.16975	10.7
300.13602	100.0
301.13968	0.6
374.16992	0.4
403.32791	0.3
618.39117	1.1
636.40723	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	637.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42286	1.5
55.01856	1.7
55.05507	2.9
57.03411	1.7
61.02922	2.3
67.05495	6.1
69.03422	3.5
70.06590	12.9
70.19041	5.5
72.08139	2.6
74.09711	2.5
75.23583	1.7
79.05028	1.8
79.05485	6.0
81.03412	6.3
81.07038	3.4
82.06601	1.6
84.08141	2.5
85.02910	4.4
86.09701	4.7
91.05469	5.5
93.07046	5.2
94.06551	4.6
95.04959	4.2
95.08607	4.2
96.08140	7.7
97.02889	1.9
100.11252	2.2
105.07042	3.3
107.04951	14.0
107.08604	1.9
108.08120	14.8
109.02833	2.6
109.10121	2.8
110.07140	2.7
110.09679	11.5
117.07030	2.0
119.30717	1.6
120.08109	11.9
121.06494	2.7
121.08942	2.0
121.10130	2.0
122.06043	2.7
122.09680	1.9
123.04409	2.5
124.07684	3.5
127.03904	2.2
129.06978	1.7
129.10199	2.8
129.64014	1.9
136.07564	45.5
138.09116	12.3
145.04962	1.8
146.05884	1.9
147.08040	1.7
148.07558	3.6
150.05507	2.0
152.07077	4.8
163.11140	1.5
164.07030	10.5
166.08627	13.5
178.05003	3.1
182.08119	2.3
196.06046	2.2
197.10709	3.4
198.11549	5.9
209.10799	1.9
210.11488	22.0
211.12291	17.6
212.09431	2.1
212.13063	19.3
223.08546	1.7
223.12280	5.7
224.09496	3.0
225.10214	19.3
225.13751	3.4
226.11023	12.5
227.11780	2.7
237.10193	11.3
238.11034	16.5
239.11757	21.3
241.09776	6.9
242.10585	2.3
251.11795	15.9
252.12361	2.4
252.98274	1.9
253.13310	4.0
255.11278	5.6
256.12024	23.9
257.12949	7.7
265.09680	2.7
266.10480	3.6
267.06625	1.7
267.11240	5.4
269.12833	34.2
270.13467	3.6
271.10925	2.9
271.14261	4.6
278.10565	4.7
279.11252	14.2
283.10809	10.0
283.14383	4.2
284.11578	13.8
285.12317	37.7
295.10565	3.1
297.12280	37.7
298.12988	6.7
299.13968	3.9
302.12851	3.9
311.10321	3.3
311.13849	3.3
313.11899	3.4
314.12869	2.3
315.13394	13.8
316.14362	14.9
317.06506	6.9
317.14932	10.5
318.06943	3.6
318.16031	2.4
328.14316	5.3
329.11319	2.4
329.14896	39.5
330.15836	13.6
332.17471	2.2
340.05862	2.0
342.12241	1.9
343.13190	2.2
344.13864	3.8
345.14130	1.9
346.15378	2.4
348.20822	1.9
358.15234	1.7
360.17020	2.0
374.14639	2.6
376.16330	2.3
376.20541	2.3
388.16556	4.2
389.17151	2.6
390.17981	2.9
392.19940	10.0
402.18137	3.7
404.15909	7.2
404.20313	3.4
406.16968	1.9
412.18475	7.1
416.15958	7.6
418.17673	2.3
420.19058	6.3
424.18521	6.8
427.07858	2.4
430.17746	7.8
436.18628	5.3
448.18539	31.0
450.20618	7.7
451.20963	15.6
452.21692	2.2
454.19690	4.3
462.19751	2.5
466.19699	6.7
472.20761	20.6
480.21252	100.0
481.22064	34.2
482.22275	3.5
484.20807	20.4
545.23895	2.0
569.23730	4.4
577.26538	20.5
601.26843	13.6
612.83130	2.5
619.27393	11.8
637.28558	53.0
637.50690	2.2
669.32001	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.01870	3.4
55.05509	9.5
56.05029	1.0
57.03417	1.3
57.07072	1.0
58.99579	9.2
61.02907	1.0
64.37579	0.8
67.05498	12.7
69.03407	1.4
69.07063	5.0
70.04057	1.4
70.06573	2.8
71.04976	2.0
71.08613	2.7
71.59740	1.4
72.08139	1.1
72.93777	2.2
73.01104	0.9
74.00658	2.3
76.02221	31.5
76.04004	1.4
79.05478	9.9
80.05005	1.0
80.36479	0.7
81.03410	8.8
81.07052	11.8
81.80565	0.6
83.04970	4.0
83.06089	1.5
83.08615	7.5
84.04497	8.6
84.08134	1.4
85.02889	3.0
85.04010	1.9
85.06550	0.8
86.06045	0.8
86.09677	2.1
86.99039	2.1
87.04463	1.1
88.02181	1.6
88.96848	0.6
90.94801	1.7
91.05471	7.9
92.01717	0.9
93.07041	9.4
95.04963	41.4
95.08589	6.0
97.01102	1.6
97.02860	1.9
97.06508	2.5
97.10155	3.5
99.04472	0.8
99.05549	0.9
99.08077	2.9
105.07014	7.3
107.04943	11.5
107.08583	7.0
109.06529	3.4
109.10159	4.8
110.07153	1.2
111.02645	1.1
111.04413	1.2
111.08069	2.8
113.04311	0.7
116.01667	13.0
117.07002	2.8
119.08562	6.5
120.08105	1.4
121.06526	3.2
121.10143	4.8
123.04444	1.0
123.08019	2.7
123.11673	1.1
123.38696	0.6
125.09593	3.4
127.03869	0.8
128.23206	0.7
129.06973	1.4
130.04987	5.5
131.04509	1.8
131.08571	4.5
133.10104	5.7
135.08052	2.5
135.11679	2.8
137.09618	2.4
138.98399	0.7
139.11151	1.0
141.06998	0.7
142.03214	3.9
144.01141	6.3
145.06169	2.0
145.10103	5.3
147.08032	1.9
147.11664	3.6
149.09596	7.1
149.13292	1.0
151.05711	1.0
151.11163	2.6
157.10097	1.9
159.11679	2.5
161.09598	1.9
161.76237	0.7
162.02185	25.2
163.03900	0.7
163.11165	12.7
165.12744	2.2
167.10670	1.9
169.06702	0.9
169.10173	0.9
170.02751	1.4
173.11743	1.6
173.13171	1.1
175.11194	2.2
177.03235	4.6
177.12764	2.4
179.04840	39.8
181.06146	1.0
181.12236	0.8
184.07309	1.3
187.05383	1.8
187.11253	1.5
193.12228	5.0
197.09929	0.9
201.03638	1.0
205.12225	1.7
211.13272	8.2
215.04852	1.2
220.99005	0.8
223.13266	11.8
229.05223	1.1
229.14359	2.3
229.19562	0.9
231.04350	2.5
233.05885	7.5
234.96924	2.0
237.15030	1.1
245.05801	2.2
252.97948	4.7
257.18970	0.8
265.05240	2.4
266.07068	0.7
267.06784	5.9
268.13751	0.7
269.11890	1.6
269.22397	0.7
275.20068	9.4
276.97665	0.7
283.06293	6.2
285.07788	4.2
289.11938	0.8
291.06302	1.0
291.19354	1.0
293.21088	100.0
294.21475	1.1
306.07678	1.0
308.09085	29.8
309.20657	1.3
311.22086	1.8
317.15134	1.2
351.19846	4.0
369.20883	1.4
386.23532	2.1
389.17276	7.2
404.24915	1.3
409.07486	1.8
427.08334	4.6
444.09521	1.3
445.09406	13.6
461.20120	0.8
462.10321	1.3
463.10406	6.4
471.25220	1.6
474.24490	1.1
475.26749	0.7
486.12207	1.1
489.26215	5.0
543.26477	1.4
561.28278	2.2
618.30011	1.4
636.29419	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89279	0.4
55.05499	0.6
59.05001	0.8
69.03421	0.4
70.06590	5.5
71.04987	0.5
72.08139	2.2
73.02920	0.9
73.06548	2.7
84.08134	4.7
85.02917	0.6
86.09704	0.8
87.04461	15.5
88.03951	0.4
89.06023	100.0
91.05497	1.7
107.04951	1.4
107.07053	3.5
114.05522	0.5
117.09131	1.1
120.08114	1.2
129.10225	3.3
130.08626	0.6
131.07031	3.3
133.08591	47.9
135.10025	0.6
136.07576	0.6
175.09688	2.2
177.11205	12.3
219.12228	0.6
221.13771	1.1
226.15436	0.8
283.17249	0.4
287.05579	0.5
303.05533	0.5
324.10712	0.4
477.55634	0.5
650.68146	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	3.9
64.55798	2.0
65.55090	2.0
69.99686	9.4
70.06596	18.1
72.08152	3.0
75.05592	5.5
84.04497	5.3
84.08138	5.0
86.09697	3.7
87.05605	13.3
99.05564	6.5
101.07126	4.8
102.51464	2.0
103.05456	3.2
107.04959	3.4
110.07175	3.2
113.07113	7.4
115.05058	32.9
120.08108	100.0
127.05046	27.6
129.06609	7.7
132.08012	6.2
136.07591	6.8
141.06567	14.2
172.07169	20.9
177.10271	13.7
180.07695	2.1
184.07155	13.0
186.08693	2.0
189.10144	6.4
196.00261	2.0
198.08760	12.0
203.11784	2.5
205.09756	3.5
212.88618	1.8
215.11450	4.2
217.09735	4.4
223.10826	7.3
229.09390	3.7
241.09447	4.2
243.10869	4.7
255.10841	8.3
262.11798	2.9
265.09497	2.0
272.13602	3.6
274.11887	5.0
280.12961	2.2
291.14490	5.8
293.13937	2.0
300.13013	7.7
311.14545	2.2
319.13992	7.9
329.15768	4.1
337.15094	3.8
339.14090	10.3
357.15317	3.6
386.17755	3.4
394.17157	6.6
396.16254	19.3
402.17789	2.8
414.17462	5.0
477.50339	2.4
513.50018	2.4
533.24432	5.6
543.23206	17.8
561.24023	6.1
600.10199	2.3
618.26086	5.7
636.27399	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	634.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.05508	2.3
57.07071	20.9
57.77852	0.8
59.04994	1.1
67.05502	1.9
69.03419	1.2
69.07066	7.0
69.68562	5.8
71.08625	33.0
72.08128	1.0
73.06544	3.3
79.05490	3.2
81.07042	1.4
82.20865	0.8
83.08595	1.0
84.20763	0.7
85.10174	16.8
87.04460	15.0
89.06024	100.0
91.05471	14.9
93.07028	9.1
95.04964	2.6
95.08588	1.8
103.05470	4.0
105.07030	10.3
106.66468	0.9
107.04971	6.7
107.07050	5.4
107.08553	4.0
109.06498	1.4
109.10103	1.2
117.07029	2.1
117.09153	1.2
119.04926	5.4
119.08555	4.5
121.06493	37.6
124.14879	0.9
125.09658	0.9
127.14824	1.9
129.06978	0.8
130.08629	4.1
131.07050	5.6
131.08583	1.8
133.08591	77.5
135.08038	18.9
135.09088	1.0
145.10124	1.3
147.08038	16.2
149.09612	24.8
157.66589	0.8
158.97632	2.8
160.97307	2.1
161.09537	1.3
163.11203	4.2
165.09119	8.6
167.10707	1.5
175.09685	3.3
175.11153	1.5
177.11218	25.7
177.12625	1.3
183.93486	0.9
191.10660	2.7
193.12256	3.8
197.07275	1.0
209.11707	4.7
211.13338	1.8
216.83388	0.8
220.25020	0.8
221.13799	3.4
235.13173	1.7
239.14816	1.8
247.20561	11.7
253.14445	1.1
255.15865	1.6
273.22113	3.3
279.16049	1.5
283.17575	1.6
289.25070	1.3
291.23154	34.4
297.16919	1.2
299.18607	1.0
317.24768	2.5
330.92999	0.8
335.25693	8.1
423.30566	1.7
491.28503	2.5
533.08136	2.3
617.42554	8.1
618.43030	0.9
634.15442	1.2
634.46271	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00538	0.4
52.25946	0.3
53.01284	0.4
56.05039	0.8
58.06592	0.7
61.02938	0.4
68.05019	0.9
69.88174	1.6
70.06586	37.0
70.89945	0.3
71.07378	0.3
72.08147	5.5
73.02902	0.7
78.88740	0.3
84.04470	0.4
84.08144	4.0
86.06084	0.5
86.09709	1.8
87.04430	0.4
88.07624	2.3
89.06028	6.8
96.08131	1.7
98.09677	0.6
98.20828	0.6
107.04950	1.6
114.09160	30.0
116.10748	0.6
132.10205	1.4
147.04460	0.8
158.11729	0.8
176.12796	4.4
190.60078	0.3
202.14410	0.6
220.15468	3.3
264.18039	4.4
305.54742	0.4
308.20630	4.1
352.23358	2.3
396.25894	2.0
410.30618	0.4
440.28503	1.2
528.33466	1.0
604.17365	0.4
634.40039	100.0
635.40320	2.3
635.69751	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.05503	1.3
57.07070	22.3
69.07047	2.6
69.17381	0.7
70.01961	4.3
71.08626	41.8
73.06534	3.1
79.05470	1.5
80.02042	0.9
82.86618	0.7
83.08606	1.3
85.10176	21.4
87.04465	18.3
89.06025	100.0
90.06376	1.0
91.04949	1.3
91.05474	12.0
93.07030	5.8
95.04960	2.6
97.41447	0.7
98.21462	1.6
103.05442	2.5
105.07039	5.7
107.04958	4.3
107.07059	3.1
107.08584	3.8
117.07013	2.0
119.04897	2.5
119.08585	4.5
121.05649	1.5
121.06496	22.1
121.10122	1.0
127.14828	2.2
130.08609	1.4
131.07036	8.2
131.08559	1.8
133.08591	68.3
135.08061	4.8
135.11696	1.7
145.10121	1.1
147.08035	11.1
149.09608	7.8
150.06718	2.5
156.27280	0.9
163.11189	4.4
165.09088	9.4
167.10660	2.9
173.09555	0.8
175.09633	4.3
175.11018	1.3
177.11224	25.1
177.12679	1.7
191.10648	3.1
193.12213	1.9
206.33168	0.7
209.11694	7.3
211.13309	3.0
221.13885	3.8
235.13220	2.7
242.82869	0.9
247.20563	18.3
255.15863	2.1
265.16476	1.3
273.22226	4.4
279.15918	1.9
283.17441	2.3
289.25211	1.9
291.23151	30.5
292.23434	1.0
299.18475	0.9
309.19247	1.2
317.24722	1.3
335.25790	8.2
359.20578	1.0
445.01785	0.8
447.25705	1.1
491.28543	5.2
529.36981	1.0
617.42706	9.8
634.45734	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	634.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.74669	0.3
67.05483	0.9
68.90429	0.3
71.08622	0.4
71.59883	0.5
74.68341	0.2
77.16033	0.3
79.05499	0.6
79.57076	0.3
81.07040	0.6
89.06042	0.4
91.05476	0.8
93.07014	0.6
95.08580	0.4
98.98476	2.8
100.70751	0.3
107.08610	0.4
117.05853	0.3
118.06551	2.4
125.00002	7.3
132.08051	0.9
133.08667	0.3
144.08084	11.8
144.09239	0.6
146.09610	0.8
158.09663	4.5
159.10423	1.6
160.11214	0.5
162.09169	1.1
172.11208	4.1
176.10774	0.5
176.14349	13.9
177.11328	0.3
184.07310	0.5
186.12791	0.4
190.12323	0.3
202.15909	100.0
203.16248	1.8
220.16965	31.4
221.17262	0.6
243.94727	0.3
300.13593	99.8
301.13907	1.9
306.14407	0.3
368.64835	0.3
374.17032	0.4
452.73889	0.3
616.37604	2.6
634.38605	6.1
635.39020	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09164	0.3
59.06943	0.3
60.98260	0.4
66.92529	0.3
67.05483	0.5
70.84072	0.9
70.84406	0.3
81.07054	0.4
84.08538	0.4
88.24519	0.3
89.06020	0.5
91.05491	0.5
93.07047	0.5
98.98484	2.7
118.06538	1.3
125.00011	6.8
132.08083	0.5
144.08084	10.6
144.09230	0.6
145.08904	0.5
158.09625	3.4
159.10435	1.1
160.11166	0.6
172.11203	2.2
176.14342	11.9
184.07365	1.0
202.15910	93.9
203.16338	1.6
220.16963	10.9
230.46492	0.3
247.66052	0.3
300.13593	100.0
301.13989	1.8
319.17343	0.3
374.59109	0.4
538.69739	0.3
616.37158	1.0
634.38678	1.4
635.43842	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.285
Annotation	Unknow
Peak:m/z	Relative Intensity
60.30040	1.3
62.84269	1.2
63.74350	1.2
70.06588	1.9
71.32796	1.8
84.04503	1.7
91.79469	1.2
115.05423	1.4
117.07069	1.3
118.06547	22.2
130.06532	2.3
132.08110	5.2
137.68301	1.4
143.07288	3.0
144.08075	12.7
146.06012	61.7
147.06389	1.6
159.09198	6.2
160.07483	1.3
170.06018	3.8
188.07066	100.0
189.07454	2.0
205.09715	45.4
268.78461	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01862	3.8
55.05510	10.2
56.05029	1.6
56.96571	1.0
57.03428	1.0
57.07055	0.9
58.99578	9.2
59.04996	0.8
61.02914	0.6
62.72685	0.4
67.05502	9.1
68.05028	0.7
69.03429	1.4
69.07068	2.9
70.02937	0.9
70.06595	2.7
71.04980	1.8
71.08630	6.8
71.21014	0.7
71.21375	1.1
72.08136	0.7
73.01123	0.9
74.00660	3.4
76.02224	31.0
76.03999	2.4
77.53255	0.5
77.88972	0.5
79.05489	7.2
80.05028	1.6
81.03400	3.6
81.07043	8.1
82.06584	1.1
83.04975	4.0
83.06112	3.6
83.08617	6.0
83.15183	0.5
83.72260	0.5
84.04499	12.0
84.08101	0.9
85.01133	0.7
85.02903	1.6
85.04031	1.4
85.06549	1.2
85.10146	0.6
86.00645	1.2
86.06010	0.5
86.09705	1.3
86.99058	3.5
87.02703	0.9
87.04456	0.8
88.02225	1.3
91.05480	7.1
92.01703	0.5
93.07036	7.5
94.06561	2.1
95.04966	4.2
95.08600	6.6
96.04516	0.7
97.01116	2.9
97.02913	1.3
97.06541	1.7
97.10168	5.3
98.00629	0.8
98.06064	0.9
99.02664	0.7
99.05561	1.7
99.08078	5.1
100.02203	1.3
105.07016	3.4
106.06563	0.9
106.70535	0.5
107.04947	6.9
107.08597	6.0
108.04487	0.6
108.08125	0.6
109.02864	1.0
109.06526	1.2
109.07650	1.3
109.10144	3.3
110.06052	0.6
111.02666	3.3
111.04440	1.9
111.08070	3.7
112.02160	3.6
112.03982	0.9
113.00587	3.1
113.02946	0.6
113.04185	0.6
113.05956	0.7
113.09665	0.6
114.03761	1.6
115.02140	1.1
115.05485	0.5
116.01671	15.7
117.07011	2.0
119.08577	4.0
120.08112	1.8
121.06506	2.0
121.10162	2.9
122.06071	0.6
123.02679	1.8
123.04457	0.8
123.08089	1.8
123.11726	0.6
124.02178	2.2
125.00562	0.7
125.05924	0.5
125.09615	4.7
126.03735	5.5
127.02107	1.0
129.06509	3.0
130.04993	6.6
131.04509	0.9
131.08563	1.6
133.06473	0.9
133.09151	0.7
133.10094	3.1
135.02641	1.9
135.05544	0.5
135.08035	1.2
135.11685	2.8
137.02969	0.9
137.04192	1.4
137.09628	1.6
138.03740	2.3
139.02109	2.6
139.03224	1.1
139.05748	0.5
140.01633	1.8
140.05321	0.6
141.04813	1.2
142.03230	5.5
143.02672	0.6
143.08449	1.1
144.01134	6.3
145.05070	0.6
145.06071	2.3
145.10135	2.5
145.14737	0.5
147.07953	1.1
147.11673	0.9
149.09595	1.0
150.12773	0.9
151.03937	0.7
151.05734	0.9
151.07536	0.7
151.11191	1.3
152.01671	0.8
152.05380	0.7
153.03606	0.6
153.06551	1.5
153.09087	0.9
153.12755	4.1
155.08142	0.7
155.10564	0.8
157.10112	0.6
160.11253	0.5
161.09601	2.2
161.13205	0.7
162.02199	16.2
162.03569	1.3
163.05792	0.8
163.11163	3.9
163.13499	0.5
165.03685	0.5
165.07375	0.8
165.09116	0.5
166.12239	0.6
167.08786	0.7
167.10689	0.8
170.02742	1.8
170.11786	0.6
171.08348	2.1
171.11629	0.5
173.09575	1.0
173.11787	1.1
175.11160	0.9
177.03288	3.9
177.07268	0.7
177.12689	0.6
179.04848	16.9
179.09001	1.1
179.10628	1.0
180.08464	0.6
181.06087	0.9
181.08559	0.9
181.12216	1.9
182.10081	0.6
185.03804	4.7
187.05345	3.6
188.03661	0.7
189.03275	1.2
189.11206	1.4
191.09000	0.5
191.10664	1.0
193.06778	1.0
193.12233	5.0
194.09944	7.0
195.08440	3.1
196.11543	7.5
196.13266	0.9
197.09962	1.1
199.07141	1.3
204.13864	1.0
207.08379	1.3
208.11497	0.9
208.13292	0.6
209.11674	0.7
214.12482	1.0
215.04839	1.4
219.08577	0.7
220.13603	0.5
221.09982	1.0
222.09514	2.5
224.11066	2.6
225.09468	1.4
227.12791	2.9
229.06354	0.7
230.12024	1.2
231.04317	6.4
233.05905	9.0
233.09651	0.7
236.11084	2.5
238.12636	1.3
240.10521	4.4
241.11418	1.5
242.12132	2.7
243.04332	0.6
245.05785	1.0
251.10880	0.6
254.12032	4.7
256.13620	0.8
257.07510	0.6
263.20230	1.1
266.12137	4.0
268.13651	1.8
273.18561	0.7
275.19940	0.5
282.11581	0.6
284.13065	1.2
290.21115	0.9
291.06546	1.0
291.19452	7.2
293.21085	1.4
299.14258	2.6
305.15646	1.8
308.09076	9.3
308.22064	0.5
309.20630	5.6
311.14203	7.1
320.20508	0.7
321.18808	1.0
323.16815	10.7
331.17261	1.1
338.21497	0.8
339.13727	0.8
343.13525	0.7
345.14859	1.7
348.19925	10.8
349.18298	5.1
357.14780	15.0
359.16461	0.8
366.20953	23.2
367.19312	9.7
369.14716	2.6
376.19531	1.1
378.20099	0.6
384.22092	8.6
385.20364	0.8
387.15915	1.2
394.20364	3.9
402.23331	1.4
412.21274	0.8
441.24414	1.3
451.22620	3.9
452.21237	0.8
469.23685	25.1
487.24710	100.0
488.24762	1.4
505.26013	0.8
523.24774	2.1
535.24408	0.9
559.26947	9.7
598.28192	3.0
616.29205	2.4
634.29669	5.4
634.39014	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.7
56.96566	12.6
58.14153	0.9
61.02861	0.8
62.01333	0.8
62.48233	1.0
67.05166	0.8
67.05495	4.1
69.07060	2.1
71.59027	2.2
71.95295	1.6
79.05481	1.9
81.03410	2.5
81.07053	3.8
83.08611	2.5
84.96052	1.2
85.02872	0.9
91.05483	1.5
93.02368	0.8
93.07030	2.4
95.08598	3.0
97.02922	0.9
102.92614	3.3
105.07042	1.1
107.08603	1.8
109.02878	2.8
116.98631	1.3
117.07047	1.2
118.92079	1.4
119.08595	1.1
128.98634	2.2
131.00146	0.9
133.98961	1.0
136.93132	5.6
143.00217	1.2
146.99628	3.0
154.94160	26.9
155.03745	1.1
160.41573	0.9
161.01167	2.0
166.60889	1.1
172.95232	100.0
177.95775	1.2
182.99669	1.3
189.04375	1.2
190.96274	81.5
195.96826	7.7
196.95306	2.3
201.00731	2.4
208.97397	1.1
210.96786	9.0
212.98444	1.6
213.97844	4.6
214.96193	5.2
222.96623	0.9
228.97836	27.7
240.97926	2.3
246.98900	9.0
251.99510	2.3
256.97418	2.4
262.96146	1.3
280.97412	3.7
298.98907	21.2
315.16107	1.1
316.99448	22.2
317.17859	38.1
321.99942	1.1
333.17401	2.7
335.00470	1.5
335.18915	24.0
335.25934	3.9
340.01004	1.8
353.19962	1.9
358.20557	5.0
367.07437	1.3
373.02118	2.1
391.21585	1.5
397.14569	3.8
440.01999	1.4
453.17111	42.5
454.17401	1.2
471.18201	99.3
472.18771	3.1
489.19214	9.3
494.19727	12.6
541.18799	3.1
559.21234	1.4
615.22815	2.2
633.23541	45.2
633.35675	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.1
55.05511	2.9
56.96561	10.9
57.03413	1.3
60.63112	0.9
67.05503	5.8
69.03445	1.3
69.07069	1.7
69.81664	3.0
73.02908	0.8
79.05479	5.9
81.03423	3.2
81.07035	5.9
83.04971	0.9
83.08643	1.7
85.02914	1.6
85.06546	1.2
87.04429	0.8
89.06040	2.6
91.05471	7.3
93.07040	7.6
95.04958	5.8
95.08591	5.3
97.02871	0.8
97.06537	1.1
98.21483	1.1
98.97568	0.9
102.92630	3.0
105.07019	18.3
105.07664	1.2
107.04980	2.6
107.08576	6.1
109.02875	1.4
109.06531	3.4
109.10120	3.8
111.08095	1.1
117.07045	2.5
118.92159	1.1
119.08579	7.3
121.06509	2.3
121.10116	5.0
123.08088	3.1
123.11695	0.8
125.09664	0.8
128.98637	2.3
129.06998	1.1
131.08539	4.6
133.08638	1.0
133.10115	3.8
134.99699	1.0
135.08060	1.5
135.11705	2.4
136.93047	3.9
142.07872	1.0
143.00179	1.3
143.08603	1.9
145.10141	3.3
146.99667	3.8
147.08034	1.0
147.11697	2.5
149.09657	1.9
151.07550	2.7
154.94156	22.6
155.08627	1.4
156.09419	1.2
157.10147	2.8
158.10713	0.8
159.08122	1.3
159.11743	3.5
161.01205	1.5
161.09654	1.2
161.13269	1.0
163.11298	1.1
165.09164	0.8
167.08626	0.8
167.10623	3.8
169.10197	1.2
171.11774	1.3
172.95229	98.2
173.09706	1.4
173.13254	1.2
174.95659	0.9
175.14844	1.0
181.12289	1.5
182.10924	1.2
183.11707	1.7
190.96272	77.7
193.10225	1.2
195.11650	1.8
195.96843	9.7
196.95326	2.5
197.13425	1.0
201.00772	1.2
207.13817	1.2
208.97379	1.3
210.96777	9.4
212.98389	1.7
213.97867	3.9
214.96309	4.1
216.97873	1.0
219.01781	1.0
221.13380	1.5
221.15450	3.5
223.11299	0.9
228.97841	32.0
229.00038	1.6
230.99509	1.6
233.15453	2.0
233.98486	1.7
238.96344	1.9
240.98015	1.3
246.98907	8.3
251.99515	2.2
256.97476	1.3
262.96268	1.1
270.00449	1.2
280.97388	5.3
298.98618	15.3
316.99454	19.2
317.03076	1.0
317.17844	39.6
318.18500	0.9
322.00037	1.8
333.17584	1.4
335.18924	21.7
335.25790	2.0
340.01300	1.4
358.20645	4.4
373.02139	2.2
391.21606	1.9
397.14444	4.4
453.17151	43.0
471.18188	100.0
472.18747	1.7
489.19250	7.9
494.19766	14.3
541.18866	1.5
615.40649	1.8
633.23773	46.5
633.35223	5.8
633.42529	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	632.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96135	1.0
55.01868	3.7
55.05519	9.8
55.39191	1.0
56.05024	2.0
57.03439	2.8
58.99585	9.7
60.04524	1.6
65.03931	1.3
67.05500	9.6
68.04998	1.2
69.03413	1.3
69.07069	8.9
70.02945	1.9
70.06592	15.9
71.25614	1.3
71.58300	1.1
71.58706	1.8
72.08147	4.0
74.00667	1.8
76.02225	28.0
76.03981	1.6
77.86806	1.1
79.05486	11.9
80.05019	3.0
81.03404	3.3
81.07055	15.2
82.06570	1.4
83.04967	4.2
83.06099	3.4
83.08617	6.0
84.04500	16.2
84.08138	10.0
85.02916	1.7
85.04047	1.3
86.00667	2.0
86.09706	11.8
86.99050	2.4
88.02210	2.1
91.05473	7.7
93.07034	7.5
95.04956	5.6
95.08615	5.7
97.01143	2.5
97.02860	1.7
97.06521	2.3
97.10175	4.3
98.00648	1.4
99.05574	1.8
102.82277	1.2
104.10747	1.8
105.07030	5.4
107.04948	7.5
107.08603	6.0
109.06496	3.1
109.10171	3.7
110.05962	1.4
110.07169	3.0
111.02671	2.6
111.04396	2.3
112.02212	3.8
113.00586	4.1
115.05405	1.4
116.01666	14.2
117.07033	2.7
119.08557	6.0
120.08102	5.9
121.02879	1.4
121.06509	1.9
121.10199	1.8
123.02647	1.9
123.04401	1.8
123.08079	3.0
124.02188	5.7
125.09625	4.5
126.03742	3.7
126.83009	1.2
129.06590	2.0
129.10268	4.0
130.04994	7.0
131.04596	1.9
131.08578	2.3
133.06450	2.6
133.10112	2.9
135.08038	2.6
135.11676	2.8
136.07501	2.3
137.09572	1.3
139.02162	1.4
139.03238	1.3
140.01730	1.5
142.03204	4.5
143.02757	1.3
143.08556	2.0
144.01169	6.3
145.06239	4.2
145.10103	3.1
147.07990	3.2
147.11610	1.3
151.05803	2.3
153.12752	3.4
155.08354	1.3
159.08101	2.3
161.09593	2.7
162.02214	12.9
163.07605	1.6
163.11189	1.7
165.08936	1.5
170.02730	2.0
173.09596	1.5
177.03302	4.5
179.04849	18.4
181.06116	2.4
182.11867	1.5
184.07362	3.2
185.03847	4.0
187.05466	3.3
189.03308	1.7
189.11215	2.0
193.06833	3.7
194.10020	3.3
199.07121	1.8
215.04880	2.0
222.09538	2.1
224.11070	2.6
227.12773	3.8
231.04393	5.6
233.05876	9.1
236.11060	3.0
238.12511	1.6
240.10527	3.9
242.12198	2.7
245.05875	1.8
254.12064	3.8
266.12195	3.8
271.17062	1.5
278.12137	4.0
284.13425	1.8
289.17892	9.3
291.19717	1.4
296.13083	1.6
297.12796	1.8
303.14084	1.8
307.19159	6.0
308.09103	5.5
311.14276	4.5
321.15234	12.3
329.15671	2.0
345.14676	1.4
346.18237	7.9
347.16690	3.7
357.14630	10.1
364.19360	23.5
365.17749	6.6
369.14789	3.1
382.20334	7.2
392.18469	1.6
400.21497	1.4
449.21143	4.4
467.22125	27.2
485.23169	100.0
486.23624	2.5
533.23407	1.7
534.78357	1.4
557.25177	10.3
596.26251	2.1
614.28290	1.9
632.28546	3.6
658.46661	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.7
56.96566	14.8
61.61195	0.4
67.05499	2.7
69.07063	0.9
71.08594	0.6
71.95245	2.2
72.96069	0.5
74.97609	1.2
79.05489	2.4
81.07058	3.1
83.08620	0.6
84.08089	0.5
84.96035	1.1
85.10143	0.5
91.05475	1.1
93.07042	2.0
95.04993	0.6
95.08598	2.5
105.07008	0.6
107.08559	0.8
109.10160	0.8
110.66859	0.5
110.97576	0.9
117.99208	0.5
119.08559	1.0
121.10158	0.9
123.01236	1.1
123.11670	0.7
128.98582	2.7
129.92467	0.4
131.08481	0.5
133.10115	0.8
133.98894	0.7
135.11739	0.6
143.00189	0.5
146.99641	6.7
155.03844	0.7
159.11497	0.5
161.01234	1.0
165.00685	2.1
171.03366	0.6
179.02216	0.5
180.03967	0.4
189.04326	1.5
197.08548	0.4
203.05949	0.7
209.06877	0.6
227.20064	0.8
229.57994	0.7
243.08949	0.5
261.22000	0.6
263.09555	1.0
277.11139	1.3
279.23224	0.6
291.12714	1.1
295.12399	0.6
296.12939	0.6
305.14117	0.6
315.16125	0.5
317.17822	23.4
321.35373	0.5
333.17331	1.7
335.18918	100.0
336.19302	2.1
353.19998	41.7
354.20395	0.9
358.20523	15.6
359.20682	0.9
371.20990	2.2
376.21600	5.8
387.07825	0.5
399.23163	1.1
595.40356	2.4
631.36481	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
54.23958	0.4
54.43790	0.3
55.01868	0.7
55.05502	1.2
56.96558	0.3
57.03432	4.2
57.07082	0.8
59.04995	0.4
61.02918	1.9
67.05511	0.9
69.03424	5.0
69.07061	0.3
70.04070	100.0
70.06583	5.1
71.04395	0.4
71.04985	15.6
71.35631	0.6
72.08136	0.6
73.02911	1.0
75.04480	1.0
76.02206	0.3
79.05488	0.6
81.07003	0.3
83.04982	1.1
83.08627	1.7
84.04503	0.6
84.08131	0.7
85.02898	24.1
86.06057	0.4
86.09707	1.2
87.04456	2.0
91.03948	0.5
91.05490	1.0
93.07053	0.6
95.04964	1.0
95.08621	0.3
97.02880	3.3
97.10170	0.6
98.06011	0.3
99.04449	0.8
102.67727	0.3
103.03939	0.3
107.04953	1.9
107.08541	0.4
109.02847	1.3
110.09765	0.3
111.04447	0.6
112.07620	0.8
117.07050	0.3
120.08110	0.5
121.06458	0.3
127.03907	2.3
129.05447	2.7
129.10214	0.4
132.05672	0.5
138.09119	0.3
141.01004	11.7
145.04971	1.1
145.09973	0.3
147.06522	0.6
155.02554	0.3
159.08080	0.3
166.13393	1.2
167.02534	1.8
172.03929	0.5
181.04169	1.5
204.06639	0.4
208.29591	0.3
233.05403	0.3
306.13614	3.6
315.05136	0.5
324.14703	95.0
325.14975	1.6
486.19989	41.4
487.20093	1.0
488.18707	0.3
596.33868	0.4
614.35284	0.7
623.41626	0.3
632.25208	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.7
54.04027	1.2
55.01867	5.0
55.05254	2.5
55.05504	29.9
56.96534	1.2
57.03433	9.2
57.07067	4.5
59.04993	4.2
65.03928	6.0
67.05496	100.0
69.03420	25.9
69.07063	15.4
69.31351	6.1
69.31779	7.2
71.01355	2.8
71.04998	6.3
71.08583	1.3
73.02917	1.5
78.77539	1.4
79.05485	35.9
81.03410	22.9
81.07050	40.4
83.04974	11.9
83.08604	15.3
85.02886	6.7
85.06525	4.5
91.05468	47.9
93.07033	37.0
95.04958	19.5
95.05540	1.6
95.08590	25.7
97.02884	5.4
97.06544	6.5
97.10155	12.8
98.21487	3.0
99.04441	4.8
103.05462	2.9
105.07023	42.6
107.04947	17.4
107.08581	28.5
107.09276	1.9
109.02865	4.9
109.06489	8.0
109.10143	64.0
111.04443	5.9
111.08086	5.0
113.06023	2.4
115.05454	5.8
116.06261	1.4
117.07008	25.1
119.04918	2.0
119.08567	35.8
121.06488	8.2
121.10134	19.7
123.04438	1.4
123.08047	6.9
125.05967	1.7
125.09612	13.7
127.03912	4.4
128.06218	6.6
129.05521	2.2
129.07008	21.0
130.07779	2.8
131.04898	2.0
131.08548	29.7
131.09483	1.6
133.06479	7.5
133.10117	17.5
135.08061	11.3
135.11691	6.2
137.09613	6.9
141.06973	8.9
142.07727	6.6
143.08542	21.9
145.06445	6.1
145.10107	22.6
145.11136	2.3
147.08054	5.5
147.11658	10.8
149.09605	8.4
149.13268	3.4
151.07553	3.4
153.06979	2.9
153.09068	1.8
154.07764	2.0
155.08536	13.2
155.10612	2.4
156.09317	2.9
157.06529	3.6
157.10118	17.6
158.10893	2.1
159.08034	8.2
159.11681	13.7
161.05983	1.9
161.09601	7.3
161.13258	5.5
163.07587	1.6
163.11212	3.3
164.10300	1.3
165.07008	3.4
165.09174	2.4
166.07780	3.9
167.08589	7.0
167.10715	5.6
168.09325	2.7
169.06474	2.1
169.10094	14.7
171.08086	5.5
171.11665	13.9
173.09679	5.2
173.11755	14.3
173.13284	9.5
174.13860	1.2
175.07536	1.5
175.11200	4.2
175.14748	2.3
177.09105	1.5
178.07887	1.4
179.08606	2.5
179.10709	2.0
180.09404	2.1
181.06544	1.8
181.10065	9.1
182.10889	2.8
183.08073	3.2
183.11658	11.7
185.09583	6.8
185.13197	7.9
187.11185	5.0
187.14856	4.9
189.09161	1.5
189.11247	7.1
189.12726	1.9
191.08598	2.5
191.10725	1.4
191.14307	1.3
192.09346	1.7
193.10144	5.6
194.10985	1.4
195.08089	2.6
195.11676	9.3
197.09641	4.1
197.13226	7.5
199.11229	5.7
199.14868	3.4
201.12784	3.5
203.14307	2.2
206.11043	1.6
207.11743	5.4
207.13647	1.6
208.08771	1.6
209.09648	3.2
209.11522	1.9
209.13310	6.4
211.11250	5.6
211.14923	3.9
213.12827	4.6
215.10736	1.6
215.14368	5.1
217.12294	1.8
217.15999	1.9
221.09526	1.4
221.13284	4.3
221.15242	2.4
222.10541	1.3
223.11308	2.3
223.14810	4.2
225.12779	4.6
225.16475	1.8
227.10788	2.1
227.12747	5.1
227.14589	2.5
229.12210	1.6
229.14218	13.1
231.13814	2.2
233.13351	2.6
233.15460	3.9
235.14960	1.8
237.12778	1.8
239.14398	3.1
241.12346	1.9
241.19585	1.9
245.13783	5.4
246.14075	1.4
249.12682	1.7
251.14365	1.8
253.19537	1.4
257.18973	3.4
259.20700	5.7
271.20575	2.7
273.18561	1.7
275.20145	2.8
277.19678	1.7
281.19144	1.6
283.20480	2.3
287.20160	3.1
295.20605	3.7
297.18674	2.4
297.22147	1.7
299.20178	3.7
301.21658	2.6
311.20245	2.4
313.21674	4.5
315.23257	1.7
317.21066	2.4
321.22153	1.9
325.21609	2.7
327.23132	1.9
333.17743	1.4
337.21695	3.2
339.23282	5.6
349.21533	6.3
351.23050	8.2
355.17566	1.5
355.22531	1.4
357.24237	1.6
367.22681	13.3
369.24188	5.4
385.23587	6.1
403.24951	1.6
423.25125	2.0
441.26611	3.9
443.28189	1.6
459.27579	3.9
487.34171	2.2
503.32739	1.4
541.35577	2.6
553.35175	2.5
557.35089	3.2
567.37122	2.1
571.36218	2.8
577.35345	1.7
583.36298	6.6
595.36237	16.1
613.37518	22.0
631.38507	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	631.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.7
54.04027	1.2
55.01867	5.0
55.05254	2.5
55.05504	29.9
56.96534	1.2
57.03433	9.2
57.07067	4.5
59.04993	4.2
65.03928	6.0
67.05496	100.0
69.03420	25.9
69.07063	15.4
69.31351	6.1
69.31779	7.2
71.01355	2.8
71.04998	6.3
71.08583	1.3
73.02917	1.5
78.77539	1.4
79.05485	35.9
81.03410	22.9
81.07050	40.4
83.04974	11.9
83.08604	15.3
85.02886	6.7
85.06525	4.5
91.05468	47.9
93.07033	37.0
95.04958	19.5
95.05540	1.6
95.08590	25.7
97.02884	5.4
97.06544	6.5
97.10155	12.8
98.21487	3.0
99.04441	4.8
103.05462	2.9
105.07023	42.6
107.04947	17.4
107.08581	28.5
107.09276	1.9
109.02865	4.9
109.06489	8.0
109.10143	64.0
111.04443	5.9
111.08086	5.0
113.06023	2.4
115.05454	5.8
116.06261	1.4
117.07008	25.1
119.04918	2.0
119.08567	35.8
121.06488	8.2
121.10134	19.7
123.04438	1.4
123.08047	6.9
125.05967	1.7
125.09612	13.7
127.03912	4.4
128.06218	6.6
129.05521	2.2
129.07008	21.0
130.07779	2.8
131.04898	2.0
131.08548	29.7
131.09483	1.6
133.06479	7.5
133.10117	17.5
135.08061	11.3
135.11691	6.2
137.09613	6.9
141.06973	8.9
142.07727	6.6
143.08542	21.9
145.06445	6.1
145.10107	22.6
145.11136	2.3
147.08054	5.5
147.11658	10.8
149.09605	8.4
149.13268	3.4
151.07553	3.4
153.06979	2.9
153.09068	1.8
154.07764	2.0
155.08536	13.2
155.10612	2.4
156.09317	2.9
157.06529	3.6
157.10118	17.6
158.10893	2.1
159.08034	8.2
159.11681	13.7
161.05983	1.9
161.09601	7.3
161.13258	5.5
163.07587	1.6
163.11212	3.3
164.10300	1.3
165.07008	3.4
165.09174	2.4
166.07780	3.9
167.08589	7.0
167.10715	5.6
168.09325	2.7
169.06474	2.1
169.10094	14.7
171.08086	5.5
171.11665	13.9
173.09679	5.2
173.11755	14.3
173.13284	9.5
174.13860	1.2
175.07536	1.5
175.11200	4.2
175.14748	2.3
177.09105	1.5
178.07887	1.4
179.08606	2.5
179.10709	2.0
180.09404	2.1
181.06544	1.8
181.10065	9.1
182.10889	2.8
183.08073	3.2
183.11658	11.7
185.09583	6.8
185.13197	7.9
187.11185	5.0
187.14856	4.9
189.09161	1.5
189.11247	7.1
189.12726	1.9
191.08598	2.5
191.10725	1.4
191.14307	1.3
192.09346	1.7
193.10144	5.6
194.10985	1.4
195.08089	2.6
195.11676	9.3
197.09641	4.1
197.13226	7.5
199.11229	5.7
199.14868	3.4
201.12784	3.5
203.14307	2.2
206.11043	1.6
207.11743	5.4
207.13647	1.6
208.08771	1.6
209.09648	3.2
209.11522	1.9
209.13310	6.4
211.11250	5.6
211.14923	3.9
213.12827	4.6
215.10736	1.6
215.14368	5.1
217.12294	1.8
217.15999	1.9
221.09526	1.4
221.13284	4.3
221.15242	2.4
222.10541	1.3
223.11308	2.3
223.14810	4.2
225.12779	4.6
225.16475	1.8
227.10788	2.1
227.12747	5.1
227.14589	2.5
229.12210	1.6
229.14218	13.1
231.13814	2.2
233.13351	2.6
233.15460	3.9
235.14960	1.8
237.12778	1.8
239.14398	3.1
241.12346	1.9
241.19585	1.9
245.13783	5.4
246.14075	1.4
249.12682	1.7
251.14365	1.8
253.19537	1.4
257.18973	3.4
259.20700	5.7
271.20575	2.7
273.18561	1.7
275.20145	2.8
277.19678	1.7
281.19144	1.6
283.20480	2.3
287.20160	3.1
295.20605	3.7
297.18674	2.4
297.22147	1.7
299.20178	3.7
301.21658	2.6
311.20245	2.4
313.21674	4.5
315.23257	1.7
317.21066	2.4
321.22153	1.9
325.21609	2.7
327.23132	1.9
333.17743	1.4
337.21695	3.2
339.23282	5.6
349.21533	6.3
351.23050	8.2
355.17566	1.5
355.22531	1.4
357.24237	1.6
367.22681	13.3
369.24188	5.4
385.23587	6.1
403.24951	1.6
423.25125	2.0
441.26611	3.9
443.28189	1.6
459.27579	3.9
487.34171	2.2
503.32739	1.4
541.35577	2.6
553.35175	2.5
557.35089	3.2
567.37122	2.1
571.36218	2.8
577.35345	1.7
583.36298	6.6
595.36237	16.1
613.37518	22.0
631.38507	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	630.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90987	1.0
55.05501	2.5
57.07077	34.7
67.05515	5.7
67.05820	1.0
69.07050	1.6
71.08627	27.9
71.58914	1.7
73.06557	7.1
79.05502	2.3
81.07053	2.5
83.08605	3.0
85.09695	0.9
85.10178	21.0
87.04462	8.4
89.06030	100.0
91.07600	1.3
93.07074	2.2
95.08592	1.6
97.10168	2.6
99.11725	3.9
107.07095	5.8
109.10136	3.0
113.13284	1.5
117.09126	7.2
127.12038	0.9
130.08638	2.9
131.07043	2.4
133.08598	53.2
151.09692	1.0
151.99590	1.0
155.17998	5.2
175.09779	1.1
177.11229	18.0
198.14844	1.2
199.20615	4.5
221.13911	2.8
243.23196	6.5
287.25806	4.1
316.04663	1.1
325.14529	1.0
355.00397	1.0
459.27905	2.2
489.35834	5.8
613.45056	3.4
625.53906	1.1
630.39484	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.2
56.96563	3.4
57.03419	2.1
57.38292	1.3
65.03943	3.5
67.05486	5.4
69.03432	3.1
69.07047	2.5
70.04052	2.1
70.06596	7.7
71.04966	3.2
71.60216	1.8
72.08130	2.0
72.65789	1.4
77.03913	1.9
79.05468	4.9
80.05005	2.1
81.03430	6.3
81.07035	4.8
82.06568	2.1
84.08140	2.5
85.02901	3.1
86.06070	1.8
86.09696	3.6
91.03912	1.7
91.05481	10.0
93.03400	1.7
93.07041	12.0
94.06559	13.3
95.04942	4.8
95.07363	8.1
95.08598	4.0
95.76950	1.3
96.07552	1.7
96.08131	22.2
97.02875	3.0
97.06559	2.4
98.05984	1.5
103.05463	2.3
105.06998	3.4
106.06541	5.2
107.04959	13.0
107.08598	2.0
108.04433	2.7
108.05221	1.6
108.08105	20.9
109.08975	1.6
109.10120	2.9
110.09679	36.8
118.06522	3.1
119.08528	1.4
120.04458	6.1
120.08104	27.1
121.06470	1.7
121.10156	1.5
122.06036	8.0
123.06795	1.7
124.07588	17.8
127.03890	2.1
130.06532	1.6
131.08560	2.0
132.08066	3.0
133.06497	1.5
133.10139	1.9
134.06007	5.8
134.09605	3.7
136.07573	41.0
137.09552	1.3
138.05502	1.7
138.09125	48.9
144.04443	2.1
146.06004	68.6
146.09589	2.1
148.07568	22.7
149.05988	1.9
150.09123	13.3
152.07050	15.9
158.06015	5.0
160.07607	3.9
162.09143	2.6
164.07059	13.1
165.07794	1.5
166.08633	79.8
167.06963	1.9
167.09056	1.9
168.08197	1.4
172.03957	10.3
172.07524	2.6
174.05531	1.4
174.09123	4.9
176.07060	2.5
182.08128	3.5
188.07016	2.0
190.04979	23.2
192.10196	2.9
193.12372	1.5
197.10735	4.7
198.11577	7.7
199.12265	4.0
209.10667	4.6
210.09343	1.6
210.11504	8.8
211.12280	18.0
212.09328	2.1
212.13060	4.4
213.10248	1.9
213.13872	2.9
218.08083	10.2
221.10675	2.3
222.11356	1.7
223.08704	1.7
223.12234	12.8
224.09361	2.5
224.13046	3.0
225.10217	11.7
225.13800	4.4
226.10994	8.1
227.11870	8.9
229.13351	3.2
235.08595	2.8
235.12164	2.4
236.09383	3.9
236.13081	1.5
237.10182	12.5
237.13908	3.5
238.10966	10.5
239.11763	23.3
240.12524	5.4
241.09723	2.3
241.13268	4.0
245.12924	2.2
246.07684	2.0
248.09282	1.7
249.10320	9.2
250.10887	6.6
251.08110	2.3
251.09055	2.2
251.11746	25.3
252.08882	2.2
252.12500	7.9
253.09618	3.2
253.13373	17.7
255.11244	4.5
256.11990	7.7
257.12766	8.4
259.14407	5.4
262.11105	2.7
263.07867	1.7
263.11761	19.4
264.08832	6.1
264.12500	5.1
265.09729	8.8
265.13260	15.2
266.10495	7.3
266.13980	2.1
267.11337	19.6
267.15475	1.7
269.12866	11.6
271.10696	2.9
271.14398	22.8
273.12271	8.4
277.09698	2.7
277.13324	1.5
278.10431	5.4
279.08304	2.6
279.11282	31.3
280.12039	4.2
281.12827	19.6
282.09903	2.1
282.13644	1.6
283.10779	8.3
283.14063	3.2
284.11404	8.4
285.12344	39.8
287.13846	5.3
289.15381	5.0
291.11221	14.1
292.12003	4.8
293.12796	16.1
295.10889	3.1
295.14294	3.1
296.11444	9.7
297.12332	77.1
298.13074	11.6
299.13873	78.2
300.14532	1.6
301.15411	8.7
303.04984	6.8
309.12335	19.8
310.13101	3.9
311.10254	6.0
311.13855	21.9
313.11893	4.1
313.15393	4.6
315.05048	3.7
315.13370	51.9
319.10733	11.2
321.12320	15.9
323.10291	10.4
324.14594	2.2
325.11755	19.0
327.13327	9.3
332.17444	2.2
337.11792	54.5
338.12228	2.1
339.13391	3.5
343.12924	6.0
346.19040	2.8
362.18594	2.6
374.18674	1.7
376.20291	3.0
383.11108	3.0
385.13898	4.7
390.17862	3.2
392.19739	7.9
402.17972	2.3
404.19928	7.1
407.95386	1.4
412.16827	2.3
418.17545	2.6
420.18829	2.0
422.20795	11.9
430.17487	13.8
432.19293	7.0
433.20270	1.8
434.20804	17.3
435.21423	3.9
436.18210	2.6
442.17456	5.5
442.23068	1.8
444.19296	2.0
446.20901	7.7
448.18549	33.1
449.19388	32.6
450.20282	24.1
460.18701	21.6
461.19217	2.5
462.20013	5.1
464.21808	100.0
465.22537	16.7
466.23285	2.3
472.18585	2.5
474.20193	6.0
476.17984	13.5
477.18829	10.3
478.19730	14.2
490.19702	52.6
491.20374	11.0
492.21472	11.7
508.20670	4.1
509.21518	3.8
567.25555	2.4
569.27051	2.0
581.24829	1.6
581.34772	4.8
587.28754	12.8
595.25330	13.4
613.26581	50.8
631.24780	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.5
57.07061	0.6
58.93859	0.6
67.05495	2.3
69.07064	1.0
69.40296	6.7
69.48489	0.6
75.90860	0.7
79.05486	1.1
81.07047	1.4
89.06006	1.1
91.05487	1.1
95.04968	0.9
95.08599	0.8
105.07038	1.5
109.10141	1.1
117.07008	0.7
119.08549	0.8
135.11594	0.8
142.59099	0.7
317.21130	1.5
335.21899	5.8
335.25522	0.9
381.65109	0.8
500.05087	0.7
611.44965	0.9
629.43835	100.0
630.44220	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	629.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80609	0.8
53.03928	1.1
55.01855	1.9
55.05513	1.7
57.03421	1.3
57.73995	0.9
57.87365	0.8
59.04990	1.0
61.02897	1.5
65.03059	1.0
65.03919	3.0
66.03455	1.6
67.05487	5.0
69.03393	1.2
69.07046	1.8
70.06584	31.5
70.17347	4.2
70.17725	1.9
73.02910	1.6
77.97079	1.0
79.05489	3.5
81.03399	2.5
81.05747	1.3
81.07025	3.1
82.06555	1.4
83.08585	1.2
84.08128	1.7
85.02869	1.2
89.06004	1.7
91.05480	3.6
92.04965	1.5
93.03387	3.5
93.07039	4.9
94.06561	6.6
95.04951	2.1
95.07332	3.4
95.08600	2.1
96.08124	6.3
97.06478	2.2
97.10155	1.5
98.06018	1.6
105.07018	3.0
106.06544	3.2
107.04937	15.8
107.08582	2.1
108.08098	9.5
109.10149	1.9
110.09675	10.0
116.05019	1.0
116.98557	1.1
117.06982	1.3
118.06536	1.3
119.08570	1.9
120.04440	4.0
120.08098	7.6
121.06457	1.7
121.10133	1.4
122.06031	5.4
124.07587	11.6
126.03738	9.5
126.10036	1.0
133.10097	2.3
134.06003	4.4
136.07564	6.0
138.09123	10.5
139.08601	1.4
144.04486	1.3
146.05994	90.4
147.08092	0.9
148.07581	5.5
150.05496	1.1
150.09114	2.1
152.06999	4.8
154.03198	1.9
157.10124	1.1
160.03946	1.8
162.05504	2.7
164.07085	1.2
166.08632	13.0
169.63451	1.0
172.03847	6.2
174.09221	1.1
176.07133	1.5
182.09647	2.4
186.09050	1.4
190.04959	17.2
197.10764	2.5
199.05318	1.7
199.12280	3.2
203.14027	1.1
204.11287	2.5
209.10760	2.3
210.09204	1.6
210.11411	1.6
211.08615	4.4
211.12091	1.4
212.09360	2.3
213.10196	1.8
219.08018	8.0
225.10150	8.5
226.10921	2.5
227.11740	16.9
236.09618	1.0
237.10242	5.4
238.10965	3.3
239.11739	4.3
241.09587	1.1
242.86002	1.0
243.11125	1.5
249.10179	1.7
250.11430	1.3
251.11742	4.1
253.09732	2.4
253.13371	3.6
255.11284	2.2
263.11771	2.3
264.08856	1.7
264.13501	1.1
265.09750	1.2
267.11325	3.1
269.10315	1.1
269.12891	10.7
270.10120	1.3
271.10892	5.3
271.14340	7.6
273.12341	4.1
275.05020	1.8
277.09790	2.6
279.11160	3.3
281.12915	3.5
283.10776	3.8
284.11737	1.5
285.12442	6.8
286.13077	2.7
287.13882	28.6
295.10776	2.6
296.10635	4.7
297.12366	11.9
298.12918	2.7
299.13870	100.0
301.12259	1.7
302.12848	1.3
309.12317	1.2
311.13785	1.8
314.12936	4.3
315.13666	2.9
316.14331	4.8
319.10983	1.1
321.12463	1.6
323.09863	2.1
325.11795	9.4
327.13495	1.8
328.10922	1.6
328.14484	3.1
330.16010	7.4
331.16867	5.8
339.13492	1.7
342.12262	3.5
342.16144	1.5
343.12897	5.3
344.13882	2.2
344.17581	2.1
354.16254	2.0
356.13928	3.7
357.14932	1.8
358.15500	7.9
359.16232	1.3
370.15332	2.7
372.10419	11.0
372.17059	3.7
373.17883	4.2
378.17957	8.6
384.13278	1.7
386.18985	1.8
390.18073	8.9
398.14975	7.5
399.15604	10.4
400.09842	3.5
402.17889	2.9
414.18024	6.6
416.15970	5.6
417.12518	43.4
420.19202	11.7
422.16788	1.1
428.16071	2.1
432.19180	47.0
440.15707	2.3
446.16925	5.8
458.17017	15.2
462.20596	1.5
473.19257	1.1
490.19769	2.0
523.16406	5.6
525.24945	1.2
548.11517	1.1
567.25977	4.0
569.24188	4.7
583.25195	1.3
585.26953	13.6
593.23639	4.2
611.24835	30.0
629.30750	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	3.1
55.01866	3.0
55.05511	12.5
57.03416	3.3
57.07063	3.0
65.17083	1.7
65.65971	1.8
67.05505	29.0
69.07070	13.1
69.43517	13.2
69.43925	3.9
71.04995	2.6
71.08630	32.6
79.05489	26.5
81.03368	2.4
81.07053	31.2
83.04969	1.9
83.08567	5.2
91.05475	21.2
93.07036	31.6
95.04942	4.3
95.08607	19.7
97.06495	3.6
97.10145	3.0
98.20728	3.7
98.21371	3.8
99.08098	16.3
105.07027	26.3
107.08575	13.7
109.10110	6.5
111.08048	3.0
117.06946	7.9
119.08583	19.4
121.10153	9.3
123.11652	2.8
129.06966	6.1
131.08565	13.6
133.10129	15.6
135.11678	11.2
143.08531	13.2
145.10126	16.7
147.11682	11.7
149.13213	4.6
151.11073	5.6
155.08492	5.4
157.10118	11.1
159.11681	12.0
161.13260	9.4
169.10088	6.5
171.11708	11.9
173.11789	2.6
173.13205	8.3
175.14815	4.7
179.14320	9.3
181.09969	3.9
183.11569	6.3
185.13138	7.5
187.14812	4.2
195.11662	2.3
197.13239	4.9
199.14726	6.0
209.13110	2.5
213.16245	2.7
219.17354	2.9
231.20953	2.0
240.38744	2.1
241.19603	9.8
257.18851	2.4
259.20502	14.8
275.19965	2.8
277.18845	1.9
277.21640	21.4
293.20926	3.1
315.23026	2.5
317.20660	7.5
333.20142	9.9
333.24133	9.5
351.25336	17.2
365.90521	2.2
419.32727	3.7
435.32172	2.9
437.34360	13.8
493.36563	2.2
511.37985	9.8
513.35187	2.9
517.40271	4.4
529.38263	4.1
535.40942	3.3
553.42157	2.2
609.45239	36.1
627.42114	100.0
628.43036	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	627.4616
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07788	2.4
53.03935	6.8
53.11946	2.2
55.01876	24.6
55.05508	42.6
57.03436	17.2
57.07059	7.6
59.04993	4.5
63.72221	2.1
65.03928	4.1
67.05498	100.0
69.03420	4.3
69.07060	44.8
69.26730	26.9
71.04981	7.6
73.06582	2.7
79.05488	81.4
80.39441	2.2
81.03421	5.1
81.07051	98.4
83.04977	8.1
83.08615	20.5
85.06542	6.3
87.04484	2.9
89.06022	8.7
91.05472	66.2
92.05781	2.4
93.07037	81.8
95.04964	17.4
95.08598	64.1
96.08907	3.3
97.06525	34.5
97.10170	16.0
99.08100	5.1
103.05484	3.9
105.07024	88.7
107.04932	25.2
107.08588	60.4
109.06531	10.8
109.10160	36.3
109.32141	2.4
110.10527	4.3
111.08084	8.3
115.05428	4.8
117.07011	25.6
119.08572	49.9
121.06525	8.1
121.10136	32.6
123.08045	6.6
123.11682	11.8
125.09647	11.3
128.06216	2.6
129.07007	11.9
131.08557	42.9
133.08588	4.5
133.10121	42.1
135.08052	6.5
135.11696	20.9
137.09602	4.6
137.13211	3.2
141.06998	3.4
142.07758	4.6
143.08537	20.6
145.06490	3.5
145.10121	42.1
147.11684	32.3
149.09634	26.1
149.13261	12.2
151.11118	3.2
155.08549	6.7
157.10126	22.9
159.11694	32.2
161.09584	2.7
161.13220	15.7
163.11185	9.1
163.14787	4.7
169.10103	12.3
171.11613	13.9
173.13232	17.9
173.74739	2.2
175.11194	2.8
175.14832	6.8
177.12692	3.4
178.61630	2.2
181.10110	5.2
183.11752	9.9
185.13229	13.5
187.11351	3.5
187.14857	7.4
189.11220	4.9
190.21022	2.5
193.10077	2.4
195.11742	3.4
197.13260	8.4
199.14871	7.5
201.16418	6.7
206.82251	2.7
209.13350	4.9
211.14761	7.3
213.16452	4.1
215.14267	2.2
215.17970	3.8
219.17424	5.8
223.14986	3.4
225.16251	3.4
227.12761	10.7
227.17966	3.0
229.19710	3.1
231.17393	3.2
237.16238	2.8
239.17908	6.6
243.21074	2.8
247.20493	4.4
257.19064	12.3
259.20651	5.5
261.22180	5.4
275.20050	69.9
277.21780	4.7
293.21146	7.3
307.85626	2.6
331.22668	3.3
333.24280	4.2
335.25781	49.6
349.19598	3.5
349.23688	21.4
351.25287	2.7
367.29956	4.1
423.32303	2.5
441.33255	3.3
515.37299	7.5
517.40601	4.4
535.41278	8.9
553.42572	3.6
555.40350	7.4
591.43115	2.7
609.45050	76.7
610.45740	2.6
627.46088	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	627.4618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.8
55.01868	10.6
55.05508	26.2
57.03432	7.5
57.07074	5.1
65.03944	3.4
66.04248	1.3
67.05502	54.3
69.03414	2.8
69.07064	24.1
70.56606	4.8
71.05002	4.8
71.08627	2.5
79.05486	47.3
81.03388	3.0
81.07050	63.8
83.04989	3.8
83.08611	14.2
85.06534	3.0
87.04457	2.9
89.06017	9.6
91.05476	41.5
93.07040	52.0
95.04971	11.9
95.08601	42.9
97.06523	14.5
97.10157	6.9
99.08103	2.9
103.05473	4.1
105.07027	100.0
106.07383	3.0
107.04948	12.3
107.08585	31.0
109.06514	6.2
109.10154	20.5
111.08097	4.2
115.05458	2.5
117.07021	15.4
119.08572	29.4
119.09343	2.6
121.06491	7.1
121.10136	18.7
123.08037	2.9
123.11752	8.0
125.09642	4.9
128.06241	2.4
129.06960	8.2
131.08557	24.6
133.06430	1.4
133.08577	7.4
133.09152	1.6
133.10123	26.4
133.11086	2.3
135.08078	5.5
135.11681	14.5
137.09647	3.6
139.11232	2.2
141.06973	3.0
142.07785	2.1
143.08548	11.1
145.10124	21.5
147.08110	3.4
147.11699	18.1
147.12808	2.3
149.09619	14.2
149.13326	6.3
151.11162	3.1
155.08611	4.2
157.10114	8.5
157.19145	1.4
159.11658	13.8
161.09703	1.9
161.12173	1.6
161.13220	8.6
163.11209	7.6
163.14845	2.9
164.94987	2.0
165.09134	3.9
165.12718	1.5
167.08603	2.0
169.10092	7.0
171.11671	8.8
173.13217	7.9
175.14879	3.0
177.11266	1.7
177.12776	1.8
179.14328	6.2
181.10181	2.0
183.11716	5.2
185.13298	8.4
187.14856	4.2
189.11292	3.4
189.12856	2.1
195.11726	3.1
197.13329	3.8
197.15300	1.7
199.14894	4.8
201.16371	3.8
209.13271	3.1
211.14909	2.9
213.16432	3.9
215.17964	2.0
219.17554	4.0
223.14888	2.1
225.12799	1.9
227.12862	6.2
229.19589	2.8
239.17984	3.2
247.20604	2.0
257.19040	5.4
259.20679	4.4
261.22220	3.4
267.16074	1.7
273.18506	1.9
275.20041	45.6
277.21707	2.2
293.21149	3.7
315.17926	11.6
333.24411	2.4
335.25836	22.8
349.23727	15.6
367.30090	2.2
369.19910	1.4
419.24530	3.4
515.37396	3.5
517.40601	3.4
535.41492	6.1
553.42969	2.8
555.40540	6.3
585.23303	1.6
591.44226	2.1
609.44977	38.1
627.30121	2.5
627.46161	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	627.3924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13422	0.2
50.18509	0.2
51.07842	0.2
55.05444	0.6
56.96494	16.7
56.96949	0.6
67.05424	1.2
69.06995	0.6
71.95184	2.3
72.95957	0.8
72.96317	0.2
73.02837	0.2
74.97592	1.6
79.05418	1.1
79.05867	0.3
81.06969	1.0
83.08557	0.4
83.48337	0.2
84.96021	1.2
91.05475	1.0
92.98553	0.8
93.07043	1.2
95.04888	0.2
95.08517	0.9
97.06479	0.3
97.96756	0.8
97.99087	0.2
98.97557	0.3
102.96976	0.2
105.00092	0.2
105.07037	1.5
106.07269	0.2
107.04915	0.3
107.08503	0.5
109.10070	0.6
110.97538	1.5
111.07983	0.2
115.97806	0.9
116.00168	0.3
116.98503	0.6
117.06947	0.4
117.99323	0.2
119.08456	0.6
121.06402	0.3
121.10036	0.5
123.01092	0.8
128.98592	5.2
131.00131	0.4
131.08481	0.5
133.10045	0.5
133.98869	1.0
134.99599	0.3
135.08000	0.2
135.11598	0.2
137.02628	0.4
141.02151	0.5
143.00102	0.2
145.10011	0.4
146.99640	11.0
147.03192	0.3
147.11562	0.3
149.09656	0.3
149.13205	0.3
151.04147	0.2
152.00014	0.5
155.03754	1.2
157.10104	0.4
159.03183	0.4
159.11531	0.2
160.97217	0.3
161.01221	2.0
161.04782	0.7
165.00720	3.7
169.01637	0.3
169.05289	0.7
169.09993	0.3
170.01128	0.7
171.03180	0.5
171.11592	0.3
173.04703	0.2
174.01828	0.2
175.02692	0.7
175.06215	0.3
178.05414	0.2
179.02269	0.9
179.05833	0.2
179.99365	0.3
183.03093	0.2
183.06863	0.3
183.11691	0.2
185.04688	0.4
187.02687	0.5
188.02150	0.3
188.03615	0.3
189.04361	1.8
191.03691	0.2
193.03737	0.6
195.06770	0.4
197.04774	0.4
199.06406	0.3
201.04343	0.4
203.05931	1.5
206.04568	0.2
208.06085	0.3
209.06732	0.4
209.08588	0.2
213.07933	0.3
217.07375	0.7
221.04916	0.3
221.06743	0.2
223.02573	0.2
223.08449	0.5
225.07939	0.6
227.09512	0.7
235.06230	0.3
237.10052	0.4
239.09509	0.4
241.07390	0.3
241.11101	1.1
243.08975	0.5
244.09689	0.2
245.10652	1.1
247.06497	0.3
249.07867	0.4
252.10266	0.5
255.12711	0.4
257.10614	0.5
258.11438	0.2
259.12164	2.0
263.09528	2.3
264.10205	0.7
264.12766	0.3
265.10974	0.7
270.11407	0.5
277.11185	1.1
277.13702	0.2
281.10504	0.8
282.11368	0.4
283.12079	0.4
285.11456	0.3
286.10980	0.2
289.11166	0.4
295.12073	0.5
303.12695	1.9
305.14005	0.3
307.12125	0.3
313.14877	1.0
315.16269	39.7
316.16766	0.4
317.14160	0.5
321.13699	0.6
322.64038	0.2
331.15808	3.1
333.17331	100.0
334.17560	2.0
349.16669	0.4
351.18390	32.0
352.18805	0.7
354.17227	0.2
356.18930	14.5
357.19308	0.4
369.19476	1.1
374.19983	6.4
375.20309	0.2
397.21475	0.3
415.23105	0.2
591.37146	0.4
609.44617	0.5
627.36578	0.3
627.45837	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94003	0.2
55.05419	0.6
55.05689	0.4
56.96460	14.3
56.96775	3.9
56.96949	0.7
67.05389	0.8
69.06958	0.6
69.46233	1.9
71.95140	2.2
71.95567	0.3
72.95930	0.7
74.97485	1.5
79.05376	1.1
81.06925	1.2
83.08508	0.4
84.95903	0.9
86.97493	0.2
87.04330	0.7
91.05334	1.0
92.98515	0.7
93.06916	1.1
95.04865	0.4
95.08459	0.7
97.96707	0.8
97.99098	0.3
98.97438	0.7
99.98302	0.3
102.96989	0.3
105.06888	2.8
106.07271	0.5
107.08443	0.8
109.10068	0.4
110.97529	2.0
115.97701	0.9
116.98599	1.0
117.06924	0.4
119.08430	0.7
121.10062	0.5
123.01081	0.5
125.12981	0.2
128.06122	0.3
128.98595	6.5
128.99490	0.3
129.06848	0.3
131.08461	0.4
131.09785	0.2
133.08421	0.2
133.09996	0.6
133.98732	0.7
134.99544	0.6
135.11617	0.3
137.02663	0.4
141.02077	0.8
143.00085	0.4
145.10030	0.3
146.99638	12.3
147.03125	0.3
147.11528	0.6
151.99991	0.6
155.03648	0.9
157.01605	0.3
157.09912	0.3
159.11455	0.4
161.01227	2.3
161.04704	0.8
161.13173	0.3
165.00713	3.5
167.03702	0.4
169.01654	0.4
169.05313	0.5
170.01106	0.7
171.03127	0.8
171.11455	0.3
173.04713	0.3
174.01907	0.3
175.02657	0.9
177.04185	0.2
179.02235	1.1
179.05754	0.4
181.05132	0.3
183.03200	0.5
183.06804	0.4
185.04695	0.7
187.02689	0.6
189.04355	1.9
190.05008	0.6
191.05809	0.3
193.03682	0.7
193.05298	0.3
194.04631	0.2
195.06863	0.4
199.06157	0.4
201.04201	0.6
203.05885	2.0
205.07349	0.4
207.06932	0.4
208.06078	0.6
209.04626	0.2
209.08403	0.4
211.06358	0.3
215.05843	0.4
217.07333	0.9
221.04828	0.3
221.06645	0.3
221.08479	0.3
222.07539	0.2
223.08246	0.2
223.10175	0.3
225.07979	0.4
227.09497	0.3
231.08966	0.4
235.06317	0.3
237.07808	0.4
237.10019	0.7
239.09419	0.5
241.11076	1.1
243.08939	0.4
245.08269	0.4
245.10486	1.0
249.07892	0.4
250.10913	0.2
252.10362	1.3
253.07227	0.3
255.12598	0.3
258.11258	0.3
259.12201	2.0
259.20325	0.3
263.09534	3.7
264.10034	0.4
265.10999	0.7
270.11441	1.4
273.13712	0.3
277.10986	0.9
281.10477	1.4
282.11243	0.7
283.12137	0.4
285.11453	0.4
289.11075	0.4
291.12521	0.4
295.12021	0.3
303.12723	2.2
313.14780	0.9
315.16257	37.5
316.16632	0.4
317.14343	0.3
321.13675	0.8
331.15915	2.4
333.17322	100.0
334.17728	1.5
335.08200	0.3
349.16830	0.7
351.18381	57.5
352.18814	0.7
353.18619	0.3
356.18942	14.1
357.19147	0.7
369.19418	1.9
374.19977	7.7
397.21619	0.6
445.49127	0.2
462.71982	0.2
591.36798	1.1
627.45966	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.5
53.03936	0.9
55.01856	0.5
55.05500	1.0
57.03414	0.6
57.07052	0.3
59.04979	0.2
65.03939	0.4
67.05501	1.6
69.07059	1.2
73.06500	0.3
76.01612	0.2
77.03934	0.6
79.05482	5.9
81.07056	2.3
83.04962	0.2
83.08607	0.4
87.04464	2.4
89.06023	18.8
91.05470	3.2
93.07037	4.4
95.04963	3.0
95.08598	1.3
97.06531	0.3
97.10171	0.5
98.20795	0.5
103.05451	4.5
105.07018	100.0
106.07375	1.0
107.04941	0.3
107.07066	0.7
107.08555	1.5
109.06516	0.3
109.10136	0.8
117.07007	1.0
119.04908	0.6
119.08577	1.6
121.06489	13.1
121.10097	0.4
121.73970	0.2
123.11674	0.2
125.09608	0.2
129.07018	0.9
130.08618	0.3
131.07027	0.8
131.08562	2.3
133.08588	12.8
133.10019	1.0
135.11668	0.5
141.07005	0.3
143.08546	0.6
145.06459	0.3
145.10104	0.8
147.08038	1.5
147.11600	0.4
149.09625	1.1
157.10129	0.3
159.11682	0.7
161.09692	0.2
165.07005	0.5
165.09096	5.3
166.07764	0.5
169.10144	0.3
171.11714	0.4
173.13287	0.3
175.09631	0.4
177.11208	2.5
177.12642	0.3
179.08757	0.2
181.10063	0.3
183.10178	0.2
185.13304	0.3
191.10606	0.4
197.13206	0.4
199.14827	0.3
209.11555	2.3
209.13478	1.4
221.13757	0.3
223.11174	0.3
225.12708	2.5
227.12766	1.8
249.13078	0.2
251.14279	1.8
269.15347	2.6
271.15518	1.1
275.20056	1.3
313.18021	1.0
315.17993	23.3
316.18445	0.7
329.18997	0.9
335.25751	1.1
348.36969	0.2
349.23730	0.5
357.10510	0.2
373.21454	0.6
419.18500	0.4
419.24219	7.8
420.24414	0.3
555.40198	0.4
609.44977	1.7
627.45990	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	627.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	0.2
51.02361	0.4
53.03935	0.9
55.01857	0.5
55.05499	0.7
56.16693	0.2
57.03424	0.3
57.07086	0.3
65.24886	0.2
67.05500	1.7
69.07056	0.8
73.12372	0.2
77.03925	0.6
79.05051	0.4
79.05485	5.6
81.03403	0.3
81.07052	2.1
83.08633	0.3
83.75658	0.2
87.04458	3.1
89.06022	17.4
91.05473	3.3
93.07035	3.7
95.04971	3.0
95.08600	1.6
97.06493	0.3
99.08113	0.2
103.05459	4.5
105.07018	100.0
106.07351	0.9
107.04945	0.3
107.07068	0.6
107.08576	1.0
107.50751	0.2
109.06504	0.3
109.10145	0.7
115.05416	0.3
116.45291	0.2
117.06958	1.0
119.04942	0.6
119.08554	1.4
121.06489	13.4
121.10130	0.8
123.11736	0.3
129.06982	0.7
130.08572	0.2
131.07008	0.8
131.08537	2.5
133.08588	13.1
133.10043	0.9
135.08090	0.3
135.11681	0.5
141.06955	0.2
143.08522	0.4
145.10078	0.7
147.08029	1.5
147.11688	0.5
149.09613	0.8
155.08586	0.2
157.10175	0.3
159.11693	0.5
165.06984	0.3
165.09093	5.1
166.07784	0.6
169.10129	0.4
171.11664	0.3
173.09575	0.2
173.13275	0.3
175.09634	0.3
177.11200	2.5
181.10123	0.2
183.11768	0.3
197.13159	0.2
209.11678	2.4
209.13316	1.7
219.17432	0.2
221.13753	0.4
223.11148	0.2
225.12714	2.3
227.12703	2.1
251.14296	1.6
255.15794	0.3
269.15350	2.8
271.15414	0.7
275.20078	1.3
293.20850	0.3
313.17908	1.0
315.17996	25.6
316.18195	0.6
329.18884	0.7
335.25742	1.2
349.23544	0.6
356.44174	0.2
356.96457	0.2
373.21588	0.6
417.23257	0.3
419.24240	8.3
420.24640	0.3
479.88882	0.2
535.41382	0.3
555.39880	0.3
609.44763	1.6
627.46143	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	627.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
55.01844	0.3
56.96561	0.2
57.03424	0.7
61.02927	1.0
68.99784	0.4
69.03419	2.1
70.06583	1.3
71.04964	0.3
71.60011	0.2
71.60375	0.1
72.08135	0.3
73.02901	0.2
81.03410	1.3
83.01328	0.2
84.04485	0.2
84.08157	0.3
85.02898	6.2
86.06035	0.1
86.09706	0.3
87.04456	0.2
91.03934	0.2
91.05483	0.2
93.03377	0.2
95.04966	0.2
97.02887	2.2
99.04445	0.4
102.05525	0.3
105.06960	0.1
107.04948	1.3
109.02872	0.8
110.07137	0.1
111.00790	0.7
119.04903	0.2
121.02837	0.7
123.04416	0.3
127.03918	1.7
129.10211	0.1
133.06458	0.4
134.06866	0.2
135.04390	0.2
136.02252	0.1
136.06267	0.2
137.02328	2.9
145.04955	0.8
147.04381	0.2
149.02313	0.4
153.01802	2.7
155.04919	0.2
161.05949	0.4
163.03888	0.6
165.01822	1.7
166.02621	0.3
173.05939	0.3
177.05501	0.2
183.02869	0.5
183.04312	0.1
187.03893	0.3
195.02867	0.1
201.05486	1.4
205.04881	0.2
219.03008	0.1
219.06541	0.3
228.04108	0.1
229.04947	3.8
247.06075	0.6
257.04431	2.5
274.04761	0.8
275.05313	0.2
285.03888	1.1
298.09830	0.1
301.35471	0.1
303.04956	100.0
304.05319	2.5
345.05841	0.2
465.10245	6.6
466.10403	0.3
482.96414	0.1
543.91412	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	627.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00585	1.5
54.48196	1.6
55.93517	2.0
56.96552	3.9
59.10214	1.4
65.23603	1.5
69.03415	1.9
70.95850	2.0
70.98513	1.8
70.98825	2.2
72.93785	8.1
81.03397	1.9
85.02901	1.6
88.96880	2.1
90.94800	7.3
97.02874	3.0
98.97588	6.9
107.04943	77.9
107.34341	1.5
108.05235	2.2
108.95831	3.9
116.33260	1.4
116.98579	5.7
123.04446	1.3
123.50807	1.5
128.96342	3.6
128.98575	3.0
132.95836	11.0
134.99678	2.7
136.06168	4.0
136.66582	1.4
136.95305	2.4
140.96284	1.6
140.99562	1.4
144.95818	9.3
146.97365	4.1
146.99622	4.9
150.96860	8.3
158.97392	27.7
160.99092	1.5
162.96884	12.5
162.98355	5.4
168.95833	6.2
170.97372	3.6
174.96915	4.7
176.98439	22.2
177.00671	1.5
178.97884	22.7
179.00098	1.9
180.99448	12.2
186.96875	10.2
188.98436	3.7
189.00630	2.4
194.97398	4.0
196.98953	29.5
197.01169	12.1
198.96913	4.9
200.98376	2.5
204.97899	5.3
206.97380	3.3
208.98830	1.6
210.96866	8.9
212.98396	5.4
215.02223	5.8
216.97806	17.8
219.01744	4.2
219.83159	1.5
220.98950	22.5
222.96832	3.4
224.98477	7.2
232.98941	18.0
233.67548	1.6
234.98970	87.0
236.98550	3.0
237.02779	14.8
238.99980	5.3
247.00563	8.0
248.98502	2.6
251.00034	6.3
253.00006	12.1
255.03877	1.9
258.00546	2.3
262.99948	2.7
265.01654	1.9
274.99936	2.4
277.00052	39.7
289.00058	11.7
291.01416	2.4
301.00037	13.4
303.01352	2.6
305.01041	3.2
313.00021	12.1
319.01056	3.4
323.02011	72.3
324.02661	2.0
325.05969	4.0
331.01263	2.7
341.02859	5.0
341.06046	2.8
359.03400	3.5
359.06485	7.4
361.02072	5.2
363.05795	2.0
379.03189	100.0
503.09149	2.0
504.45102	1.6
627.15967	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00757	0.7
55.64213	0.6
56.05040	0.8
58.06584	0.7
59.84623	0.6
67.05521	1.0
67.22482	0.6
68.05032	0.6
69.03403	0.9
69.07058	0.8
69.79498	3.4
69.87202	0.6
70.06592	11.3
71.06920	0.7
72.08163	3.5
72.65536	0.6
72.75886	0.6
74.13105	0.7
79.05487	1.5
79.65916	0.7
81.03408	1.1
81.79685	0.7
84.04501	2.4
84.08163	3.9
85.02905	0.9
86.09698	6.5
91.05479	2.0
93.07042	0.8
95.04984	1.2
102.05587	0.7
103.05471	1.2
104.10725	1.6
105.07066	1.2
107.04954	100.0
108.90027	0.7
110.07162	2.1
115.05471	1.3
117.07030	0.7
120.08106	2.0
121.02883	1.6
121.06501	1.8
123.04408	1.7
124.99970	1.6
129.07047	0.8
129.10258	2.8
130.04988	0.7
131.04895	3.4
131.08604	0.9
133.06509	3.5
136.07587	1.1
144.05672	1.2
145.06491	6.6
147.08020	1.2
148.50018	0.7
149.05995	0.7
157.06506	3.1
159.08072	2.8
162.95676	0.7
175.07535	10.4
179.08626	0.7
181.06517	0.9
183.14766	0.8
184.07283	3.6
191.08493	1.0
197.06100	0.7
205.08632	2.3
207.08134	1.0
209.09578	1.4
219.08002	4.0
221.09714	0.8
225.09192	2.2
233.09502	1.4
235.07549	2.0
237.09137	13.8
245.09637	1.7
249.09190	1.6
250.12567	0.6
251.10672	0.9
253.08722	1.1
255.87589	0.7
257.09677	1.6
261.09137	4.1
263.10727	2.4
269.09735	0.8
275.10684	7.7
277.12363	1.2
287.10614	5.3
289.12122	1.7
299.10663	0.7
317.11832	1.4
340.10876	0.7
369.14972	1.6
381.14838	5.3
393.14777	2.0
399.15674	1.0
411.15952	2.1
429.16751	1.5
449.74710	0.7
517.24811	0.7
548.87000	0.6
562.79388	0.8
626.25977	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06281	1.5
55.01860	4.3
55.05508	12.1
55.94477	1.6
56.05029	8.1
57.03417	2.4
58.06588	2.0
58.99582	12.5
60.08133	1.9
61.01143	1.8
66.18806	1.5
67.05508	10.3
68.05024	3.9
69.03423	3.4
69.07059	2.2
69.53280	3.9
69.53701	8.7
70.02943	3.8
70.06583	25.1
72.04504	4.5
72.08161	7.9
74.00658	4.7
74.02440	2.6
74.06052	2.5
76.02216	15.9
76.03990	6.6
79.05479	7.9
80.05020	9.0
81.03410	4.1
81.05775	3.8
81.07050	7.1
82.06570	3.1
83.04987	2.1
83.06078	8.9
83.08625	3.5
84.04500	44.3
84.08123	6.9
85.01121	31.6
85.02926	1.8
85.04027	3.7
86.00647	28.4
86.09709	13.2
86.99044	55.7
88.02213	4.1
88.03983	1.8
89.40567	1.6
91.05468	5.9
93.07040	2.8
95.08554	1.9
96.04484	3.3
97.01124	7.9
97.10162	7.2
98.00612	4.0
98.06036	2.4
99.05564	3.3
100.02203	7.2
102.03764	23.7
102.05540	18.3
104.10765	4.4
105.07046	2.4
107.04939	5.7
107.08580	3.4
109.07635	6.9
109.10184	2.6
110.06016	2.9
110.07143	3.8
112.02183	25.7
112.03960	3.1
113.00567	4.6
114.00112	3.3
114.03743	16.3
114.05505	2.2
116.01664	19.7
119.08615	1.7
120.08093	4.0
121.10058	1.5
124.02161	5.1
125.09607	5.6
126.03663	2.4
126.05459	1.7
129.06607	8.6
129.10181	3.9
130.03224	13.0
130.04993	21.6
131.04501	2.9
132.01103	4.2
136.07530	2.8
140.01614	2.4
142.03209	40.0
143.02734	34.9
143.04488	1.8
144.01131	5.6
145.06090	6.2
152.01703	3.5
153.06593	3.4
155.08138	6.1
156.06555	6.2
158.02702	8.6
162.02213	7.6
163.11200	2.2
168.04797	5.5
169.04301	6.7
170.02724	4.7
171.02222	5.2
177.03242	8.8
179.04860	10.7
181.06075	4.5
184.07330	7.3
185.03790	3.0
187.05272	2.3
188.03752	5.2
189.03279	100.0
193.12227	5.1
196.04269	10.9
199.05341	3.5
199.07115	2.3
205.06442	22.6
215.04848	39.5
216.02968	2.0
217.06453	3.0
217.14316	1.7
224.03757	5.4
227.04797	2.2
229.14302	2.8
231.04320	5.5
233.05899	23.2
241.06355	2.8
245.05913	9.5
248.11151	2.5
259.07425	4.3
266.12036	3.7
267.15836	2.5
269.05850	3.4
274.10144	1.6
284.13187	1.9
287.06927	15.4
299.06964	2.6
307.08084	2.3
308.08972	3.9
334.10684	3.9
345.07706	2.9
362.10132	14.2
395.35736	1.7
461.19318	3.2
479.20605	5.2
497.20990	1.9
533.21552	1.9
551.22467	4.5
608.24335	6.0
626.25830	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	625.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.7
55.01870	10.2
55.05506	36.5
57.03430	7.1
57.07062	3.8
59.05000	2.2
65.03944	3.3
67.05500	70.2
69.03424	3.7
69.07065	33.0
69.92013	3.0
69.92406	3.3
71.04990	7.6
71.08616	1.8
73.06548	1.6
77.03928	1.9
79.05486	47.2
81.03421	4.3
81.07053	66.2
82.07358	1.2
83.04977	4.9
83.08610	19.2
85.06530	4.6
89.05997	2.2
91.05474	46.9
93.07039	46.5
95.04983	11.1
95.08598	44.1
97.02879	1.4
97.06531	13.3
97.10162	13.4
98.21484	1.9
99.08089	2.5
102.72305	1.2
103.05482	1.4
105.03382	1.4
105.04531	1.5
105.07017	46.4
106.61437	1.2
107.04968	9.1
107.08582	32.6
107.09283	2.3
109.06506	6.9
109.10146	28.6
111.04459	1.8
111.08099	6.0
115.05449	2.4
117.07014	22.6
119.08562	40.1
121.06520	4.1
121.10126	20.4
123.08078	3.6
123.11728	8.7
125.09623	10.2
128.06186	7.1
129.06993	24.6
130.07756	2.8
131.08551	31.4
133.06520	1.6
133.10114	32.2
133.11057	1.9
135.08057	3.2
135.11694	14.5
137.09637	3.5
139.11188	2.8
141.06984	10.0
141.53104	1.3
142.07733	7.2
143.08548	26.7
144.09349	2.0
145.06488	2.5
145.10101	31.6
147.08047	3.9
147.11673	19.9
149.09621	6.3
149.13187	7.1
151.11206	2.5
153.07056	2.7
153.09206	1.7
154.07782	2.1
155.08539	18.7
156.09348	4.6
157.06454	1.4
157.10110	24.2
158.97638	1.8
159.08125	2.8
159.11676	21.8
161.09624	3.1
161.13243	9.2
163.03911	2.0
163.11212	4.4
165.07089	2.1
166.07741	1.9
167.08498	7.5
168.09296	2.7
169.10100	18.6
170.10835	1.7
171.11697	20.5
173.11856	2.4
173.13304	13.3
175.11299	2.6
175.14839	5.4
179.08551	1.7
180.09235	2.3
181.10085	10.3
182.10916	3.5
183.11697	16.9
185.09676	2.0
185.13228	15.2
187.11229	3.0
187.13274	2.9
187.14789	6.1
189.11209	3.2
189.12706	1.4
189.16446	2.3
193.10156	2.7
195.11705	12.3
196.12500	1.7
197.13248	18.1
199.11223	1.7
199.14790	8.7
201.12724	2.6
201.16423	4.1
205.10043	1.8
207.06633	2.8
207.11739	4.9
209.09932	1.3
209.13272	7.9
211.14896	8.5
213.12720	2.4
213.16319	6.4
215.17937	1.5
219.11742	2.4
221.13243	5.5
223.14862	8.9
225.16412	6.0
227.12816	4.5
227.18100	1.9
229.14156	2.5
235.14856	3.8
237.07626	1.7
237.16475	4.9
239.17934	7.3
241.16016	1.7
241.19547	5.8
243.15805	2.3
247.14951	2.0
249.16501	2.5
251.17992	3.4
253.19524	2.7
255.21130	1.9
257.19083	4.0
259.20642	7.5
265.19434	2.6
273.18597	3.7
275.20157	9.6
277.21872	2.5
283.20779	2.9
285.22235	1.5
295.20526	1.6
297.22180	2.2
299.20242	1.5
309.22195	3.1
311.23679	2.1
315.23318	3.7
331.22760	2.2
333.24420	3.5
337.25409	1.4
339.23181	2.4
349.24161	5.1
363.26932	1.6
365.24387	2.1
365.28326	7.9
379.30234	2.7
381.31686	3.0
383.29474	3.6
421.31177	4.6
435.32703	1.6
439.32071	4.0
445.29550	3.1
453.33737	3.9
471.34518	2.5
497.37338	2.0
513.35785	12.2
515.38934	8.1
527.37158	9.9
533.39941	14.7
551.41119	9.2
553.38794	2.7
589.42419	2.7
607.33875	3.0
607.43506	52.1
625.44617	100.0
626.44714	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	625.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.8
53.03935	3.7
55.01864	10.2
55.05263	2.4
55.05510	37.6
57.03436	15.5
57.07072	7.4
59.04985	1.7
65.03941	4.7
67.05497	65.9
69.03419	3.9
69.07063	39.7
69.63325	8.2
70.04059	1.4
71.04976	6.8
71.08619	5.0
76.30994	1.1
79.05489	53.7
79.05957	2.6
81.03415	3.2
81.07050	65.2
83.04962	6.8
83.08611	20.4
85.06540	5.7
85.10169	2.0
89.06028	3.4
91.05476	40.9
93.07041	47.8
95.04957	12.1
95.08603	49.6
97.06511	12.3
97.10157	13.0
99.08078	5.0
103.05509	2.4
105.07020	44.8
107.04947	62.9
107.08589	36.5
107.09180	0.9
109.06508	13.1
109.10152	24.6
111.08082	5.3
113.00011	58.8
115.05463	3.1
115.07575	4.2
117.07016	22.7
119.08577	35.3
119.09435	1.5
121.06479	3.6
121.10134	22.2
123.08057	15.1
123.11662	11.2
125.09603	6.4
128.06236	6.9
129.07005	21.7
130.07788	2.3
131.08565	31.6
133.06500	2.6
133.08638	2.3
133.10118	29.2
135.08093	4.8
135.11650	12.1
137.09618	5.2
137.13286	2.0
141.06941	10.7
142.07791	6.7
143.08536	23.0
144.09302	2.7
145.06491	1.7
145.10104	28.3
147.08109	3.3
147.11662	18.8
149.09596	6.1
149.13252	8.3
151.11205	2.7
153.07050	2.8
153.12764	1.6
154.07768	3.3
155.08528	20.1
156.09300	2.3
157.10127	24.1
159.08008	1.6
159.11674	21.6
161.09578	4.1
161.13239	8.5
162.95302	3.3
163.11140	3.7
163.14856	2.4
165.07019	1.9
165.12732	1.5
166.07744	3.3
167.08514	8.0
167.14301	3.1
168.09361	2.1
169.10120	23.6
171.11646	21.7
172.12434	1.6
173.09641	2.0
173.13208	14.7
175.11249	2.4
175.14873	4.3
177.12775	2.7
177.16422	3.7
179.08583	3.2
179.14317	13.4
181.10065	11.2
182.10921	2.0
183.11687	19.9
183.13197	1.7
184.12427	1.4
185.09628	1.7
185.13266	17.8
187.03647	8.4
187.11197	2.3
187.13344	1.4
187.14842	5.8
189.11238	3.3
189.12762	2.2
189.16461	1.5
193.10124	5.5
195.11681	12.0
196.12425	2.0
197.13277	16.6
199.11307	1.4
199.14815	8.1
201.16391	3.8
205.10283	1.7
207.11699	7.0
209.13237	12.5
211.14813	10.8
213.16460	6.7
215.17865	1.5
219.11742	1.8
221.13332	4.1
222.02420	1.6
223.14879	6.9
225.16373	7.0
227.12827	5.5
227.18011	3.7
229.19467	2.2
233.03137	3.5
235.14856	6.0
237.16455	3.6
238.03757	2.2
239.18001	5.5
240.03580	5.2
241.19650	6.4
247.14830	1.5
247.20514	1.6
249.16502	2.4
251.18004	3.0
253.19522	1.7
255.17549	2.0
255.21222	2.0
257.19119	4.8
259.20660	5.7
263.17813	1.6
263.20248	3.4
265.19705	2.1
267.21179	2.2
269.19098	1.9
271.20578	2.1
273.18576	5.9
273.22241	1.3
275.20184	8.6
277.21768	4.9
279.21127	1.5
281.18939	1.5
292.18900	1.6
293.21494	1.7
297.18695	1.4
297.22372	2.5
299.20178	1.7
299.23749	1.7
303.21228	1.8
309.22110	2.8
311.23874	2.9
315.23224	2.2
321.22589	1.6
323.23898	2.3
330.06015	4.3
333.24210	2.7
333.27817	24.4
334.28107	1.6
339.23352	2.1
341.24707	1.7
347.22794	1.9
349.24017	5.2
351.29028	4.1
352.32318	1.3
353.28519	1.8
363.26794	1.8
365.28479	4.8
381.31726	2.9
383.29489	1.9
389.30542	2.0
403.29922	2.2
407.31549	68.3
408.32001	6.2
409.31149	2.2
421.31015	3.5
435.33017	2.1
439.32095	3.4
459.32510	1.9
495.34750	2.6
497.37671	2.3
501.29773	3.4
511.38165	1.8
513.35748	23.3
515.38947	9.2
517.35931	1.6
519.30713	12.9
527.37128	2.5
529.99292	1.4
533.39789	12.7
539.37213	2.1
551.40723	7.9
553.38837	7.7
567.40137	1.9
569.41327	1.8
589.42517	4.8
607.43561	48.8
607.53339	3.0
608.44287	2.9
625.44647	100.0
626.45044	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	625.446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.4
55.01870	37.7
55.05505	32.5
57.03194	2.7
57.03431	14.9
57.07069	7.1
60.79086	2.1
65.03947	4.4
67.05500	71.7
69.03412	2.9
69.07063	89.0
71.04990	5.2
71.08628	2.4
71.51910	3.7
79.05487	50.9
81.03414	7.3
81.07050	73.6
81.88422	1.7
83.04958	9.6
83.08607	12.1
85.06535	3.8
91.05474	56.8
93.07039	55.8
95.01312	4.8
95.04982	12.2
95.08599	49.2
97.06527	42.2
97.10171	10.0
99.08082	3.7
100.56694	1.7
103.05461	3.3
105.07026	65.2
107.04955	19.1
107.08587	32.7
109.06516	8.3
109.10151	23.0
111.08071	4.1
113.00085	2.5
115.05479	2.6
115.27403	2.0
117.07005	25.4
119.08572	50.3
121.06525	4.2
121.10118	19.6
123.04433	1.9
123.08065	5.6
123.11708	4.5
125.09614	5.3
128.06274	5.5
129.06989	20.4
131.08566	42.3
133.06538	2.2
133.10112	41.9
133.11053	3.3
135.08041	6.0
135.11670	12.1
137.09644	4.2
137.13202	2.4
139.11119	2.4
141.06990	10.4
142.07822	4.2
143.08560	32.3
145.06483	3.9
145.10114	44.0
147.08064	4.1
147.11673	32.8
149.09647	7.3
149.13283	7.0
151.11125	3.3
155.08545	20.6
156.09352	3.6
157.10115	29.9
159.08115	3.9
159.11694	32.1
161.09676	4.6
161.13251	24.8
162.95215	4.2
163.11229	8.2
163.14803	2.3
165.07106	3.1
167.08614	6.7
169.10118	21.4
171.07988	3.9
171.10193	4.8
171.11650	29.1
173.09596	3.0
173.13225	18.2
175.11168	2.8
175.14778	10.7
177.12788	3.5
178.07809	2.2
179.08528	3.9
179.14299	5.7
181.10121	13.9
183.10165	2.7
183.11690	16.2
185.09686	3.1
185.13231	20.0
187.11208	4.6
187.14861	7.6
189.16483	3.3
193.10202	2.8
195.11687	9.5
197.13225	14.2
199.11168	3.1
199.14830	12.7
201.12827	4.0
201.16399	4.3
207.11734	4.9
209.13368	13.8
211.14891	10.4
213.12735	2.4
213.16431	7.5
219.11594	2.0
219.17389	3.2
221.13310	4.8
223.14917	6.4
225.16383	6.1
227.18008	3.7
229.19518	2.5
231.21092	2.9
233.03119	5.2
235.02879	2.0
235.14908	4.1
237.16348	5.4
239.17961	5.2
241.19460	16.0
249.16434	2.4
253.15834	2.5
253.19659	2.2
257.19006	11.6
259.20575	21.5
273.18561	8.2
275.19992	43.3
275.22641	2.8
277.21609	3.4
279.21204	2.6
283.20697	2.9
285.21606	1.9
291.19537	3.8
293.21170	4.4
297.22037	2.9
315.23325	7.8
323.23477	2.3
325.25400	2.2
333.24344	22.0
335.26215	3.0
349.23709	27.6
407.31796	3.0
417.31616	2.2
419.33362	3.8
435.32828	9.4
437.34076	19.9
453.33804	2.4
455.34943	3.7
475.35400	2.6
482.04419	6.1
493.37021	3.5
495.34961	2.6
500.05154	9.9
501.05103	2.1
501.35858	3.2
505.40579	3.3
509.36264	5.0
511.37869	16.2
513.35840	12.5
515.38837	6.0
527.37274	6.7
529.38947	7.1
533.39709	13.3
551.40936	9.9
555.36700	6.4
556.36963	4.6
573.84631	2.2
589.42700	3.1
597.45154	4.5
607.43475	66.6
608.44269	2.6
625.44647	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	2.4
53.03947	5.9
55.01860	12.2
55.05506	40.3
57.03167	1.5
57.03421	8.8
57.07072	3.7
59.04998	1.7
65.03936	4.0
67.05499	66.8
69.03411	1.6
69.07065	35.7
71.04985	4.4
71.52029	3.0
77.03905	1.7
79.05490	52.4
81.03423	3.0
81.07050	73.8
83.04973	6.2
83.08610	23.1
85.06533	3.3
91.05478	49.2
92.11264	1.5
93.07037	49.7
95.04964	13.6
95.08600	47.4
97.06529	11.7
97.10180	5.8
99.08103	3.1
103.05476	1.6
105.07024	54.5
107.04972	8.0
107.08585	29.5
109.06505	8.5
109.10141	20.4
111.08064	5.8
113.09631	1.8
115.05433	4.3
116.06268	2.0
117.07014	26.8
118.22934	1.4
119.08573	37.7
121.06556	2.9
121.10133	22.0
123.08077	4.3
123.11729	6.0
125.09630	3.2
128.06259	4.7
129.06992	19.8
130.07813	1.5
131.08565	34.7
133.06491	2.1
133.10121	29.0
135.08063	5.0
135.11667	13.2
137.09625	5.4
139.11195	3.7
141.06963	8.1
142.07790	4.6
143.08554	23.9
145.06419	2.7
145.10118	33.0
147.08063	4.2
147.11678	17.4
149.09660	4.8
149.13283	7.0
151.11226	3.1
155.08537	14.5
156.09305	3.0
157.10124	21.7
159.11667	24.1
161.09621	3.3
161.13252	10.5
163.11201	4.8
163.14900	1.5
165.07060	1.8
165.12790	2.9
167.08517	8.0
168.09419	2.2
169.10109	19.7
170.10910	1.7
171.11682	18.8
173.09613	3.3
173.13261	13.9
175.11180	2.6
175.14874	5.8
179.08612	4.2
181.10104	10.1
183.11703	16.3
185.09598	2.9
185.13231	9.5
187.11183	2.3
187.14690	7.1
189.12759	2.7
189.16380	1.8
193.10117	4.2
195.11707	9.5
195.13368	1.7
197.13243	10.2
199.11270	2.0
199.14748	8.0
201.16440	3.6
207.11794	3.9
209.13286	8.0
211.14879	6.3
213.12900	2.3
213.16400	3.3
215.17999	2.3
219.11760	2.1
221.13339	3.5
223.14867	6.9
225.16464	4.7
227.18048	3.6
233.13156	1.5
235.14799	3.4
237.16437	4.3
239.18147	3.3
245.19038	2.2
247.20743	2.0
253.19629	2.0
255.17491	2.7
255.23271	6.1
257.19077	3.8
259.20670	6.1
260.58182	1.5
261.22275	2.7
263.20175	2.7
271.20535	2.5
273.18607	10.0
273.21222	1.8
275.20105	9.2
277.21686	1.9
279.21045	1.5
283.20618	2.4
289.21802	3.5
291.19751	4.3
297.22061	1.7
333.24350	2.3
335.25970	1.8
337.25323	2.1
339.27032	1.7
347.22345	2.4
349.23984	3.4
363.26718	2.2
389.27924	1.9
403.29654	1.8
421.31235	2.3
423.32507	3.1
460.17365	1.9
461.34079	1.7
469.33328	2.0
497.36426	5.0
501.35583	2.0
513.35815	8.2
515.38544	6.5
525.35596	1.9
527.37622	6.8
533.40405	8.4
533.47229	1.7
541.34894	2.1
551.41101	10.8
553.39105	3.3
569.41479	1.9
589.42072	1.9
597.45239	4.4
607.43475	52.8
625.44611	100.0
626.45380	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	625.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.7
55.01870	10.2
55.05505	33.9
57.03431	10.0
57.07061	5.6
59.04996	3.2
65.03918	3.5
67.05498	61.8
69.03432	1.7
69.07059	28.3
71.05013	3.3
71.08610	2.5
72.90555	1.8
79.05484	44.5
81.03391	2.2
81.07047	55.0
83.04967	6.0
83.08608	14.5
85.06528	2.9
85.29826	1.4
91.05468	42.8
93.07030	36.3
95.04968	9.2
95.08598	39.5
97.06519	11.4
97.10153	15.0
98.20714	4.9
99.08122	2.3
103.05469	2.1
105.04504	1.6
105.07018	43.9
107.04926	7.8
107.08585	25.9
109.06488	8.4
109.10141	21.5
111.08079	3.1
112.67563	1.5
114.56158	1.5
115.05424	4.5
117.07006	21.7
119.08577	36.1
121.06482	3.3
121.10133	17.8
122.50241	1.5
123.08031	4.3
123.11667	11.5
125.09600	11.5
128.06190	6.6
129.06975	16.2
130.07806	2.3
131.08548	28.8
133.06499	2.5
133.10129	22.0
135.08040	5.4
135.11688	10.3
137.09616	2.6
141.06924	9.7
142.07770	7.0
143.08540	28.0
145.06517	2.5
145.10109	29.2
146.38284	1.5
147.08026	4.3
147.11690	12.6
149.09651	4.6
149.13284	5.4
151.11203	2.4
153.06963	2.3
154.07788	5.1
155.08536	19.2
156.09306	4.2
157.10107	24.7
159.08084	2.3
159.11681	18.9
161.13266	7.5
163.11247	3.5
165.07014	2.2
166.07755	3.4
167.08549	9.2
168.09349	3.8
169.10100	19.2
170.10669	1.9
171.11655	18.1
172.12383	1.6
173.09451	2.3
173.11844	3.2
173.13234	13.9
175.11206	3.3
175.14941	3.7
179.08508	2.7
179.14436	1.8
180.09367	1.8
181.10117	10.4
182.11021	1.5
183.11678	21.0
185.13228	18.6
187.11165	2.4
187.13290	2.5
187.14804	8.1
189.11235	4.1
189.12720	1.7
193.10168	3.8
195.11679	11.4
196.12350	1.7
197.13263	14.1
198.13928	1.9
199.11192	1.9
199.14799	10.7
201.16336	2.4
207.11707	3.6
209.13242	13.0
211.14809	7.3
213.16388	5.4
215.17989	2.3
217.15964	2.9
221.13284	4.4
223.14810	6.8
225.16368	7.7
227.12807	5.8
227.17964	4.2
229.14177	2.0
229.19516	3.6
229.95410	1.8
235.14845	5.4
237.16379	4.4
239.17969	6.1
241.19603	5.0
243.15839	3.9
245.19046	2.0
249.16249	2.3
255.21060	2.7
257.19131	3.6
259.20676	6.7
265.19455	2.4
271.20630	1.6
273.18478	11.2
275.20120	8.2
277.21741	1.8
279.21283	2.0
291.19717	3.0
295.20520	1.9
297.22437	2.0
323.23547	2.0
325.25201	2.3
333.24429	4.4
335.25812	4.9
347.22211	5.2
349.23886	6.0
365.28519	5.7
379.29968	2.1
381.31564	4.8
383.29471	2.8
407.31290	1.7
421.30988	5.1
435.33163	1.8
439.32239	3.4
499.34158	1.9
501.35190	2.0
513.35730	21.4
515.38611	8.8
527.37427	2.7
533.39850	12.3
551.41187	7.9
555.37573	1.8
589.42493	4.9
607.43500	49.7
608.43805	3.0
625.44568	100.0
626.45068	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	625.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	2.0
53.03936	4.8
55.01868	11.9
55.05260	3.1
55.05508	39.6
57.03430	11.2
57.07066	14.0
59.05008	3.2
60.22423	1.6
65.03949	3.6
67.05502	74.7
69.03407	2.4
69.07066	49.8
69.42457	6.2
69.42878	10.5
70.07832	2.0
71.04984	5.3
71.08606	2.0
71.21056	1.8
79.04463	1.9
79.05492	53.1
81.03416	2.7
81.07053	59.1
83.04977	8.7
83.08614	18.7
85.06541	3.5
85.95044	1.6
86.43816	1.8
89.06023	2.0
91.05476	50.2
93.07043	49.7
95.04969	10.4
95.08605	50.5
97.06532	12.3
97.10178	13.9
99.08091	4.0
103.53127	1.8
105.07025	53.9
107.04962	5.9
107.08585	29.8
109.06521	9.2
109.10165	24.6
111.08099	6.1
113.00017	2.9
115.05444	1.9
115.07580	4.3
117.07009	24.3
119.08582	33.7
121.06526	5.3
121.10139	19.9
123.08068	4.6
123.11716	7.6
125.09624	12.9
128.06233	6.4
129.06989	21.2
131.08560	32.6
133.06512	3.7
133.08603	2.4
133.10120	30.4
134.95715	2.2
135.08078	5.4
135.11665	10.6
137.09593	4.0
141.06938	9.8
142.07806	5.5
143.08551	27.8
145.10114	28.5
147.08025	3.4
147.11661	17.6
149.09615	8.3
149.13271	5.0
151.11176	2.6
153.06963	1.9
154.07762	3.3
155.08546	17.0
156.09343	3.3
157.06544	2.6
157.10136	23.5
159.08150	2.4
159.11720	19.4
161.09679	3.8
161.13232	9.3
162.95341	5.5
163.11166	4.3
165.07008	2.9
166.07814	2.8
167.08618	7.1
168.09393	2.9
169.10098	22.5
171.11691	20.5
173.09511	1.9
173.13235	11.8
175.11185	2.6
175.14871	4.9
177.12788	2.7
179.08540	4.0
179.14308	2.7
180.09328	2.4
181.10168	12.6
182.10898	2.2
183.11679	22.5
185.09691	1.9
185.11836	2.2
185.13243	10.7
187.11168	1.9
187.13364	3.0
187.14883	6.4
189.11259	7.5
189.12759	2.9
189.16502	2.3
193.10117	4.2
195.11725	12.1
197.13271	12.2
199.07080	2.6
199.14827	10.6
201.12828	1.9
201.16420	4.0
205.10153	2.1
207.11708	6.1
209.13321	11.4
211.14896	7.7
213.16449	8.3
215.17993	2.7
217.15942	4.2
219.11993	2.1
221.13171	4.0
223.14867	8.1
225.16531	6.4
227.12837	7.5
227.17937	5.0
229.19617	1.9
233.03156	6.5
233.13310	2.4
235.02855	2.5
237.16360	4.8
239.17995	6.3
241.19585	9.3
245.18985	2.2
249.16478	3.7
251.17938	3.0
257.19064	4.0
259.20560	10.1
273.18539	6.7
275.20117	19.8
277.21539	2.3
279.21042	2.3
283.20782	2.7
286.60992	1.7
293.21906	1.8
295.20667	3.3
297.22025	4.3
315.23270	3.9
317.24835	2.2
333.24237	7.8
335.26120	2.0
347.22510	3.3
349.23987	7.9
363.26743	2.8
365.28418	2.8
379.29944	3.3
381.31671	5.1
421.30835	3.3
482.04492	9.3
500.05481	15.5
501.05551	3.1
513.35852	12.6
515.38605	10.2
527.37457	3.3
533.39941	11.2
537.36469	2.4
539.37268	2.9
551.40912	7.9
553.38885	5.0
589.42383	3.0
607.43561	52.3
625.44592	100.0
626.45239	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	625.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.5
55.01865	12.8
55.05505	36.3
56.42937	1.5
57.03425	8.1
57.07056	3.6
59.04982	2.2
64.12346	1.3
65.03933	4.0
67.05499	54.1
68.18092	1.2
69.03419	2.5
69.07062	27.2
70.20351	2.0
70.20750	4.0
71.04995	4.4
79.05051	2.5
79.05486	34.2
81.07047	49.4
83.04976	3.9
83.08614	15.4
85.06525	4.5
91.05470	34.5
93.07035	38.7
95.04958	8.2
95.08599	35.0
97.06507	11.7
97.10166	12.6
99.08070	2.3
103.05464	2.2
105.07016	34.2
107.04951	10.6
107.07877	1.8
107.08583	26.5
109.06509	4.5
109.10150	18.7
111.08084	4.5
113.00011	7.0
115.05418	2.8
117.07012	19.1
119.08573	29.4
121.06529	3.5
121.10117	12.7
123.08056	4.2
123.11686	12.6
125.09623	10.3
128.06239	3.5
129.06998	19.7
130.07744	2.5
131.08559	30.1
133.06511	3.3
133.10106	21.7
135.08063	3.3
135.11670	10.4
137.09541	3.5
139.11177	2.3
141.07025	9.6
142.07788	5.8
143.08527	21.4
144.09377	1.5
145.06454	2.5
145.10115	24.4
147.11682	12.9
149.09590	4.6
149.13266	5.4
151.11168	2.3
153.06990	2.4
154.07782	1.7
155.08543	15.1
156.09317	3.6
157.10107	20.3
158.10976	1.5
159.11668	18.1
161.13274	8.6
163.14832	2.2
165.07014	1.8
166.07770	1.5
167.08525	7.3
168.09297	2.1
169.10115	16.2
170.10872	1.6
171.11684	18.2
173.09787	1.5
173.11987	1.7
173.13200	9.5
175.11198	3.3
175.14835	4.6
179.08510	3.3
179.14357	2.4
181.10001	10.4
182.10844	2.0
183.11670	18.4
185.09641	2.2
185.13226	12.7
187.13284	3.3
187.14825	8.2
189.11218	5.8
191.08583	1.4
193.10172	3.9
194.10927	2.7
194.86560	1.5
195.11639	9.5
196.12540	1.9
197.13211	16.0
199.11247	2.3
199.14825	7.9
201.16435	5.0
207.11714	5.0
209.13225	10.1
211.14810	8.3
212.15483	2.5
213.16389	5.9
215.17906	3.0
216.47171	1.7
221.13255	3.1
223.14879	4.7
225.16422	6.4
227.12701	8.1
227.17949	4.5
235.14909	3.3
237.16368	5.3
237.18631	1.7
239.17978	4.5
241.19543	4.4
243.16080	4.3
253.19623	3.0
257.19019	3.1
259.20612	4.3
265.19580	3.5
267.21100	2.4
273.18530	2.1
275.20032	8.2
279.20938	2.0
283.20157	1.9
313.21542	2.2
323.23758	2.0
327.23303	2.7
333.24249	4.3
333.27917	3.2
349.23898	5.2
363.26913	2.1
365.28397	9.6
381.31476	4.1
383.29523	3.8
403.29758	1.5
407.31274	4.2
421.30817	2.2
439.32144	5.2
495.34702	3.3
513.35773	19.6
515.39105	8.5
519.30994	2.4
527.37640	1.6
533.39954	10.0
551.41278	3.5
589.41821	2.0
597.44763	1.8
607.43439	44.5
608.43774	2.3
624.91559	1.6
625.44550	100.0
626.45178	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.3
55.01867	11.0
55.05256	2.4
55.05506	32.2
57.03435	8.1
57.07055	2.9
59.05007	2.2
65.03934	3.2
67.05501	50.5
69.07063	24.6
70.13613	6.2
71.04977	4.1
79.05486	38.6
81.03400	3.2
81.07050	56.2
81.07514	3.1
82.07377	1.4
83.04977	6.0
83.08611	15.9
85.06535	3.0
89.06032	6.6
91.04891	1.9
91.05474	35.6
93.07037	40.7
95.04964	8.8
95.08598	35.5
97.06509	12.0
97.10160	9.0
98.21390	2.2
99.08086	1.8
105.07023	48.3
107.04929	10.3
107.08587	26.3
107.98035	1.5
109.06531	5.8
109.10152	18.2
111.08092	5.0
113.00014	2.8
115.05444	2.5
117.07012	16.2
119.08573	29.2
121.06516	4.1
121.10123	12.0
123.08086	4.1
123.11686	8.5
125.09605	7.3
128.06210	4.5
129.07013	15.1
131.08563	27.7
133.06503	2.1
133.08614	2.6
133.10120	23.5
135.08034	2.5
135.11650	8.1
137.09592	3.6
139.92589	1.7
141.06973	7.4
142.07742	4.2
143.08545	21.3
145.10101	24.7
147.08052	3.5
147.11696	12.0
149.09618	4.4
149.13240	4.5
151.11179	3.3
154.07788	1.9
155.08536	11.5
156.09363	2.8
157.10130	20.1
159.08060	2.2
159.11673	19.5
161.13205	7.9
163.11171	3.3
165.07051	2.1
167.08522	8.0
168.09360	2.9
169.10085	16.2
170.10918	2.0
171.08061	2.2
171.11661	18.9
171.12964	2.1
173.13214	12.0
175.11150	2.4
175.14902	2.6
177.12648	1.6
179.08507	2.7
181.10075	9.8
182.10933	2.1
183.11670	16.6
184.87277	1.5
185.13242	12.7
187.11214	2.5
187.13362	1.9
187.14851	6.8
189.11220	3.2
189.12790	2.1
189.16388	1.9
193.10129	4.4
195.11642	7.8
197.13258	13.2
199.11267	1.5
199.14833	9.6
201.16417	3.0
207.11755	4.6
209.13374	8.9
211.14828	7.9
213.12888	1.7
213.16451	5.0
215.17847	1.4
221.13283	4.3
223.14720	7.6
225.16376	6.1
227.12842	6.5
227.18085	3.2
233.13235	1.9
235.14903	2.6
237.16412	4.9
239.17992	4.5
241.19531	5.3
243.15953	4.2
245.18951	1.8
249.16493	3.7
251.18079	3.6
253.37143	1.5
257.19073	4.3
259.20676	6.9
267.20969	1.7
273.18546	2.0
275.20200	11.6
276.20444	1.6
279.21130	1.9
333.24307	6.4
349.24054	5.4
365.28165	7.6
379.30322	1.7
383.29568	2.6
403.29718	1.7
421.31000	3.6
439.32370	2.6
441.30444	1.7
495.34830	3.2
505.23804	1.9
513.35779	19.3
515.38995	8.3
527.37592	2.6
533.39728	11.9
551.40778	7.8
553.38763	1.9
555.37128	2.2
589.42767	2.8
607.43433	43.4
624.91437	3.4
625.44586	100.0
626.44604	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	625.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.6
53.18866	1.6
55.01863	11.8
55.05506	38.4
57.03444	7.5
57.07067	6.0
59.04996	2.3
61.57613	1.5
65.03947	4.6
67.05501	70.2
69.03421	4.1
69.07067	32.6
69.61453	3.8
69.61856	11.0
70.04078	6.6
71.04982	6.3
73.02906	1.6
79.05488	46.1
81.03410	4.1
81.07049	65.1
83.04971	8.0
83.08617	18.3
85.02917	1.6
85.06546	4.7
91.05477	42.6
91.06001	2.9
93.07039	43.6
93.07626	2.8
95.04974	9.8
95.08601	38.9
97.06512	12.4
97.10165	11.2
99.08093	2.9
103.05431	2.1
105.07027	46.6
106.07343	1.7
107.04960	7.5
107.08585	28.1
109.06512	6.7
109.10152	28.9
111.08089	4.4
115.05434	3.9
117.07016	20.2
119.08574	27.5
121.06523	3.9
121.10136	18.2
123.08092	5.5
123.11691	11.8
125.09601	7.6
128.06242	5.3
129.06992	19.8
130.07822	1.9
131.08554	27.4
133.06471	1.7
133.10120	26.7
133.69843	1.5
135.08078	6.1
135.11699	8.1
136.78978	1.5
137.09621	3.3
137.13318	1.9
139.11153	2.2
141.07010	6.8
142.07805	4.6
143.08560	22.8
145.06488	3.3
145.10138	25.1
147.08054	3.0
147.11684	17.7
149.09612	6.3
149.13258	6.4
152.06276	1.8
153.06927	1.9
153.09056	2.0
153.12762	1.8
154.07787	2.6
155.08545	16.0
156.09369	3.4
157.10118	21.6
158.97647	5.7
159.08061	2.7
159.11685	22.9
160.97343	2.8
161.09595	3.5
161.13255	9.0
163.11201	4.3
163.14853	3.1
165.06970	3.3
166.07802	2.2
167.07268	1.7
167.08621	6.6
168.09395	2.6
169.10106	19.0
171.11649	19.6
173.09636	2.5
173.11868	3.2
173.13228	13.1
175.11105	2.0
175.14812	4.0
177.12671	2.6
179.08556	3.6
181.10136	10.7
183.11729	17.9
184.12668	1.9
185.08138	1.9
185.09663	1.6
185.13240	15.0
187.11288	2.1
187.13342	2.4
187.14847	5.7
189.11237	4.0
189.12883	1.8
189.16266	2.0
191.10646	2.5
193.10213	4.2
195.10165	2.8
195.11739	10.0
196.12402	2.0
197.13261	15.9
199.14781	10.1
200.29341	1.7
201.12912	1.4
201.16417	2.1
207.11717	3.9
209.13203	10.3
211.14844	9.0
212.15642	1.7
213.12860	1.8
213.16466	5.2
221.13284	4.7
223.14871	5.4
225.16405	6.4
227.12827	6.4
227.17963	3.8
229.14130	2.2
233.13231	1.9
235.14783	4.4
237.16408	4.1
239.18022	6.9
241.15742	2.0
241.19562	6.0
243.15945	4.9
249.16328	2.8
251.17989	3.6
253.19582	2.5
255.17348	2.3
255.21098	2.2
257.19031	5.1
259.20551	8.0
273.18509	3.5
275.20105	12.2
285.22037	1.8
291.19733	1.8
295.20688	1.9
297.22147	2.9
309.22260	3.1
315.23218	3.6
325.21640	2.0
333.24313	4.4
339.22888	1.8
349.23999	3.1
353.24850	1.9
363.26944	2.4
365.28427	9.0
379.30017	3.1
381.31845	2.8
383.29648	3.3
421.30862	3.9
435.32376	1.7
439.31915	3.9
459.64783	1.7
463.31345	1.7
477.32785	1.7
495.34650	2.7
503.33899	2.8
505.41199	1.9
513.35901	12.9
515.38806	8.1
527.37225	3.3
533.39978	14.2
551.40997	10.7
555.37231	2.1
589.42236	4.0
597.44885	1.8
607.43512	52.5
625.33081	5.6
625.44568	100.0
626.17401	3.6
626.32196	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.176
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
50.51395	0.2
51.10124	0.2
55.05505	0.6
57.03431	2.0
61.02906	0.6
69.03419	0.9
69.61233	0.8
69.61636	0.5
70.06573	0.9
71.04987	11.7
71.06943	0.2
73.02917	0.4
75.04469	0.6
81.03416	0.7
82.06564	0.5
83.04958	0.5
84.08134	0.3
85.02898	15.8
87.04449	0.2
91.05467	0.5
92.02611	0.5
93.03410	0.6
97.02869	1.5
98.67753	0.2
99.04427	0.3
107.04960	0.5
109.02872	0.6
109.76714	0.2
111.04430	0.4
116.10670	0.2
121.02862	0.7
126.03168	0.3
127.03883	0.8
128.07068	1.1
129.05478	3.7
133.06497	0.2
137.06009	0.6
139.03897	0.3
145.04930	1.1
147.06517	0.9
151.03873	0.6
153.01805	4.7
161.24689	0.2
165.01802	0.6
167.03342	0.2
182.15404	0.3
201.05498	0.4
203.03378	0.3
210.14848	0.3
217.04982	0.5
218.05684	0.5
228.04155	1.0
229.04933	2.1
231.02725	0.3
245.04483	0.6
246.05205	1.2
257.04443	1.9
271.05975	0.4
273.04019	1.3
274.04706	2.9
284.03357	0.3
285.03897	3.5
299.05737	0.3
301.03467	0.2
302.04193	9.3
317.06534	100.0
318.06821	1.6
359.07529	0.3
463.21207	0.2
479.11536	0.3
606.94836	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08902	2.1
51.02378	2.1
53.03939	5.2
55.01864	13.1
55.05506	42.4
57.03429	8.0
57.07071	7.1
59.04978	4.1
61.02940	3.0
61.07163	1.7
65.03928	3.5
67.05503	84.2
68.05829	2.3
69.03423	7.1
69.06717	2.4
69.07069	34.9
69.35762	8.0
69.36195	10.1
70.04089	3.3
70.06581	2.1
71.04990	8.1
74.59772	1.8
79.05491	59.3
81.03431	9.1
81.07053	85.8
82.07403	2.6
83.04987	8.3
83.08602	20.5
85.02914	3.6
85.06554	6.3
89.05994	3.1
91.03954	1.7
91.05476	53.0
93.07041	61.2
95.04969	15.6
95.08604	45.7
97.02905	2.5
97.06527	11.8
97.10188	16.3
99.08125	2.3
105.07027	55.4
107.04974	10.0
107.08582	37.0
108.08920	2.5
109.02840	1.9
109.06527	8.8
109.10147	30.0
111.08079	4.8
115.05481	4.9
117.07005	29.5
119.08579	44.2
121.06486	4.4
121.10136	18.7
123.08038	4.3
123.11671	10.4
125.09615	13.0
128.06261	6.3
129.07010	26.2
131.08560	39.4
133.10112	31.6
135.08067	6.4
135.11690	11.9
137.09595	5.3
139.11223	2.8
141.07004	9.1
142.07808	5.9
143.08542	22.9
145.06477	2.5
145.10115	35.8
147.08051	3.5
147.11679	19.8
149.09651	6.1
149.13293	6.7
149.36562	1.9
151.11186	2.7
154.07745	2.7
155.08571	15.7
156.09206	2.7
157.10124	27.9
158.97691	4.3
159.08067	4.3
159.11700	25.3
161.09642	3.0
161.13287	10.0
163.11191	4.5
163.14853	2.9
165.07037	2.2
167.08609	6.2
169.10124	22.0
171.11653	15.2
173.11880	3.7
173.13327	14.7
175.14856	5.5
177.12784	2.7
179.08643	4.3
179.14380	2.7
180.09373	2.6
181.10130	8.7
182.10870	2.7
183.11676	21.1
185.13226	16.2
187.11340	2.3
187.13281	3.6
187.14848	6.9
189.11230	5.1
189.16432	2.6
193.10184	5.0
193.12222	2.3
195.11702	10.1
197.13208	13.6
199.14775	12.1
201.16455	2.6
207.11716	5.9
207.13657	2.6
209.13295	11.4
211.11353	2.8
211.14828	11.5
213.16508	5.9
215.14378	3.3
215.17897	3.5
221.13286	6.6
223.14908	7.4
225.16412	8.2
227.12808	7.9
227.18002	5.3
229.14290	3.2
229.19542	2.3
235.14856	3.8
237.16478	5.3
239.18004	6.0
241.19601	6.7
243.15776	3.4
247.14830	2.5
251.18114	3.8
257.19006	5.5
259.20667	8.2
265.19775	3.2
267.21036	2.6
273.18741	4.1
275.20160	14.3
315.23315	4.5
331.22900	3.1
333.24350	6.7
349.24011	6.4
353.24658	2.7
365.28531	9.6
371.25714	3.1
379.30185	3.6
381.31799	4.0
383.29282	2.3
389.26935	2.8
421.30869	5.6
435.32880	2.6
439.32404	2.8
445.29413	10.7
463.30536	3.9
473.32843	2.3
513.35889	18.4
515.38757	8.5
527.37579	2.7
533.39825	12.1
551.40942	13.9
589.42462	3.4
607.43604	59.4
625.33356	8.0
625.44604	100.0
626.44196	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1758
Annotation	Isorhamnetin-3-Galactoside-6''-Rhamnoside
Peak:m/z	Relative Intensity
53.03941	0.2
55.01859	0.2
55.05490	0.1
57.03436	1.5
61.02922	0.5
69.03423	1.1
70.00174	0.6
71.04989	8.6
73.02906	0.4
75.04460	0.4
81.03402	0.6
83.04986	0.5
85.02899	11.8
87.04449	0.3
91.03934	0.2
93.03403	0.2
95.04967	0.3
97.02883	1.1
99.04458	0.3
107.04887	0.1
109.02886	0.4
111.04428	0.2
121.02870	0.7
123.00827	0.1
123.04417	0.7
124.01579	0.2
124.05267	0.1
125.02344	0.4
127.03915	0.7
129.05469	2.4
137.02316	2.0
137.03366	0.1
139.03902	0.1
141.05432	0.2
145.02829	0.2
145.04945	0.5
147.06470	0.7
149.02344	0.2
151.03944	0.5
159.08034	0.1
163.03883	0.4
167.03389	2.5
179.03377	1.5
180.04176	0.2
183.04353	0.1
187.07466	0.2
197.04427	0.7
197.06041	0.1
200.04683	0.2
209.04387	0.3
215.07028	1.2
219.02888	0.1
228.04141	0.3
233.08179	0.1
243.06523	3.0
256.03665	0.2
257.04315	0.2
261.07507	0.6
271.06064	1.6
273.03952	0.2
274.04694	2.0
284.02975	0.1
288.06137	0.6
289.07083	0.2
299.05469	0.8
302.04205	2.1
317.06534	100.0
318.06891	3.5
359.07608	0.1
406.92276	0.1
407.60880	0.1
479.11783	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54028	2.5
53.03917	2.8
55.01852	4.5
55.05505	19.5
57.03425	4.8
57.07074	16.8
67.05502	40.5
69.03402	3.1
69.07054	17.0
70.02256	13.4
71.08624	8.0
79.05483	22.9
81.03400	7.5
81.07056	48.1
83.04980	14.0
83.08604	15.0
85.10178	36.9
91.05474	30.6
93.07037	32.5
95.04986	16.2
95.08595	30.8
97.06503	6.1
97.10159	10.6
99.08063	3.0
105.07040	21.5
105.56190	2.9
107.04932	12.6
107.08595	18.1
109.06496	5.5
109.10125	12.5
111.08094	3.4
113.09635	40.0
117.07020	4.9
119.08609	14.4
121.06511	3.0
121.10110	10.3
123.08047	5.9
125.09618	5.8
129.06984	7.0
131.08557	10.4
133.10092	10.4
135.11682	9.8
139.11168	6.7
141.12798	3.0
145.10115	5.6
147.11642	10.6
149.09592	11.8
149.13223	8.3
151.11188	11.3
157.10019	2.9
159.11650	4.4
161.13173	9.8
162.88527	2.4
163.11160	9.7
165.12744	64.0
170.40610	2.5
171.11652	4.2
173.11700	3.0
175.11195	3.3
175.14911	4.7
179.14342	4.9
185.13144	3.2
189.11150	5.3
195.13774	3.4
207.13736	3.3
231.21028	3.2
241.19604	3.1
247.20392	2.8
259.20538	10.2
263.24658	2.6
277.21609	95.0
295.22693	100.0
471.34146	3.0
624.27911	5.4
626.30347	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	624.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72335	0.8
55.01868	1.6
55.05509	19.0
57.03437	1.6
57.07076	15.3
57.07517	0.7
67.05495	10.0
69.03421	2.6
69.07066	5.9
71.08632	11.6
71.59692	1.1
79.05490	5.1
81.07052	12.1
83.05003	1.0
83.08617	17.0
85.10177	5.7
89.06007	0.8
91.05463	1.9
92.57537	0.7
93.07042	1.6
95.08613	8.6
97.10168	27.6
98.98458	1.2
105.06374	1.0
105.07029	5.4
105.07645	1.1
106.07389	0.8
107.08585	7.4
109.10157	4.4
111.11748	0.9
123.11699	2.1
125.09625	19.9
126.55105	0.8
126.68125	0.7
135.08061	2.0
138.85976	0.7
143.10675	1.1
153.09109	1.9
153.26935	0.7
153.30562	0.7
159.97565	0.7
189.11227	14.1
196.13336	3.9
214.14365	4.3
227.12781	10.9
231.72169	0.8
239.23756	1.6
245.13927	2.4
268.75305	0.8
282.27957	2.6
313.27362	2.5
418.87518	0.8
445.37003	1.3
483.36801	100.0
484.37320	3.4
546.22083	0.9
606.24182	2.8
624.25061	2.7
624.37219	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67636	2.5
53.03944	5.7
55.01849	6.2
55.05503	28.5
57.03417	7.2
57.07053	9.4
65.03924	2.7
67.05498	60.9
67.38093	2.3
69.03412	5.9
69.07064	23.2
71.04979	7.7
71.08619	17.5
71.52278	5.3
79.05482	41.3
81.03397	17.3
81.07047	62.1
83.04982	15.1
83.08603	16.4
85.06535	6.4
85.10171	4.5
91.05469	36.9
93.07031	56.5
95.04957	25.1
95.08599	42.1
97.06509	7.5
97.10169	11.2
99.08091	13.1
105.06384	2.4
105.07021	27.3
107.04940	7.2
107.08589	26.4
107.86018	2.1
109.06503	9.1
109.10151	21.5
111.08070	5.1
113.09608	6.6
117.07000	9.4
119.08564	21.8
121.06447	3.7
121.10148	21.3
123.08022	4.5
123.11691	5.9
125.09616	4.6
129.06946	7.2
129.12946	2.2
131.08548	11.3
133.10123	19.7
135.11682	19.6
137.09612	11.5
139.11139	10.4
143.08488	5.5
145.10132	7.6
147.11655	14.1
149.09651	4.1
149.13240	8.4
151.11150	23.3
157.10103	5.5
159.11719	8.9
161.13277	13.4
163.11179	8.2
165.12770	11.9
169.21254	2.7
173.13293	5.3
175.11060	3.5
175.14796	4.1
177.12729	5.3
179.14285	6.7
185.13271	4.7
187.14803	2.4
189.11133	4.9
195.13791	9.6
202.16663	2.5
219.17487	11.2
220.17816	7.9
221.15417	3.5
241.19609	2.6
259.20535	6.3
277.21603	100.0
295.22647	60.0
351.62814	2.4
489.35486	6.4
624.43304	3.6
625.81287	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	624.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01572	0.1
51.02375	0.2
53.03932	0.4
55.01858	0.2
57.03437	0.2
61.02912	0.3
64.23801	0.1
69.03415	0.2
70.06583	0.6
71.04991	0.6
71.59791	0.1
72.08126	0.2
77.03894	0.2
79.05479	0.9
81.03414	0.2
84.04517	0.1
84.08093	0.2
85.02895	0.5
86.09684	0.3
93.58690	0.1
95.04961	1.5
97.02901	0.2
99.04441	2.0
102.05519	0.2
105.04485	0.3
107.04943	100.0
108.05271	0.9
110.07162	0.2
117.05479	0.5
117.90353	0.1
120.08138	0.2
127.03907	0.3
136.07635	0.2
141.05421	0.3
145.04938	0.2
159.06516	2.0
159.07710	0.2
163.06061	0.1
177.07552	1.3
218.30391	0.1
256.34741	0.1
365.74405	0.1
456.20148	0.1
481.24982	0.1
516.48749	0.1
535.63641	0.1
583.33295	0.1
624.31183	0.2
624.80884	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36561	0.4
53.03935	1.5
56.73486	0.4
57.03418	0.5
59.06103	1.8
60.04518	31.6
61.02908	0.8
62.90291	0.4
65.03933	0.5
67.05484	1.3
69.03418	1.9
70.06577	1.8
71.04992	2.5
71.59329	0.7
73.17675	0.5
77.03942	0.9
79.05485	3.2
80.34702	0.5
81.03404	1.0
85.02893	8.4
86.09698	0.8
93.07000	1.0
94.06545	1.5
95.04957	6.3
96.08117	0.5
97.00985	0.5
97.02879	2.2
99.04464	2.5
103.05474	0.8
104.96650	0.5
105.03384	0.8
107.04942	100.0
108.05287	2.3
109.02856	2.1
117.05473	4.6
119.22000	0.6
120.08103	6.2
121.06479	2.7
122.06046	2.3
123.04417	59.6
125.05993	8.4
127.03903	1.7
130.65810	0.5
131.04932	1.6
133.05241	1.7
133.06458	0.4
135.06508	4.1
136.07550	0.8
137.05988	0.9
138.09120	1.3
145.04962	2.6
148.07558	31.7
149.05974	2.1
155.27522	0.5
163.05980	0.5
164.07048	0.5
165.80965	0.5
166.08624	30.2
179.28804	0.5
180.84370	0.6
206.10268	1.2
237.66258	0.5
263.76053	0.6
282.13394	1.9
300.14392	7.1
310.12885	3.4
315.05069	0.8
317.36920	0.6
328.13968	0.9
429.59317	0.5
462.19830	1.8
506.00766	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72081	0.2
54.52668	0.2
55.01870	0.5
61.02895	0.2
62.70091	0.2
66.86974	0.2
68.99789	0.2
69.03425	0.2
69.76826	0.3
69.77235	0.8
70.06582	1.0
72.08128	0.4
81.03418	0.4
84.04522	0.2
91.05428	0.2
98.21501	0.2
107.04948	1.8
121.02850	0.3
123.04393	0.2
127.03911	0.3
129.10231	0.2
131.04909	0.3
136.07568	0.3
137.02322	5.4
137.03394	0.4
141.01807	2.9
149.02371	0.3
151.03911	0.4
163.03893	1.5
165.01837	1.9
171.04414	0.3
183.02905	2.0
185.06032	0.4
187.03824	0.4
203.06992	0.2
213.05466	0.8
213.12253	0.2
213.44302	0.2
217.05042	0.6
231.06453	0.2
241.04919	1.6
259.06006	0.7
269.04428	0.3
278.72937	0.2
287.05499	0.6
314.04071	0.2
315.04956	100.0
316.05283	1.3
323.17374	0.2
325.64142	0.2
357.29007	0.2
361.13885	0.2
398.84299	0.2
563.10309	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	624.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
53.31780	0.5
55.01861	2.3
56.05013	0.6
56.96548	0.7
57.03413	1.7
59.80230	0.5
60.04489	0.7
61.02914	2.3
68.99761	1.1
69.03078	0.7
69.03429	8.2
69.07072	0.6
69.73398	0.8
70.06590	6.8
71.04993	2.0
71.60422	0.9
72.08139	2.1
73.02902	2.0
76.22156	0.5
79.05486	2.2
81.03420	8.5
81.07058	1.5
83.04967	0.7
84.04493	1.4
84.08143	1.8
85.02901	20.4
86.09698	3.5
87.00816	4.8
87.04462	1.0
91.03931	1.5
91.05476	4.0
92.49502	0.5
93.07028	1.4
94.04160	1.4
95.04951	1.8
95.06091	2.5
97.02888	7.1
97.06478	1.8
98.05992	0.7
99.04446	3.7
103.03919	1.0
103.05453	2.5
105.01857	5.2
105.07024	5.2
107.04939	6.4
109.02871	7.8
109.06510	1.4
110.07147	0.9
111.18558	0.5
112.08708	0.8
115.05432	1.9
117.01844	1.5
117.07027	1.7
119.04916	0.7
119.08575	2.2
120.08112	2.0
121.06517	2.0
122.03637	5.4
123.04398	0.7
127.03915	14.0
129.01802	0.6
129.07005	2.1
129.10223	1.6
131.04944	1.9
132.05699	1.5
133.06477	5.1
136.07532	0.7
137.05971	100.0
145.04950	6.3
145.06473	1.9
147.02954	0.7
147.04411	2.4
147.08060	2.7
149.06009	3.5
151.03867	1.2
151.07617	1.4
154.04982	0.8
155.04901	1.7
158.07394	0.6
159.02898	4.9
159.08047	2.4
160.05182	1.9
160.12732	0.5
161.05977	15.4
162.06738	1.2
163.03955	1.2
163.07587	1.3
171.08044	1.0
172.05241	0.8
175.07541	24.4
176.07782	0.7
177.05470	1.3
177.09058	0.9
179.06989	1.6
185.05995	0.7
187.07536	9.2
189.05446	0.9
189.07005	0.9
189.09055	0.9
190.07759	2.3
191.08527	8.9
193.08551	1.4
199.07518	4.2
201.08961	0.8
202.07797	1.1
203.06880	1.0
203.08557	2.3
205.06480	0.5
205.08655	1.7
207.08064	0.9
208.08934	1.0
215.06984	1.0
217.08429	1.5
218.07346	2.0
219.08028	13.0
220.08778	0.9
221.05984	0.7
223.11153	0.7
229.08533	1.6
231.04965	3.1
231.08142	3.8
232.08820	0.8
235.07489	1.7
236.08359	2.4
241.08636	0.6
247.07507	5.4
248.08377	2.5
249.09103	0.9
251.10695	18.7
259.07416	2.0
259.09885	0.9
260.08295	1.1
261.09259	1.0
263.10776	2.3
264.07794	1.7
265.08740	1.0
276.07761	1.4
277.08606	1.4
278.09436	0.8
279.10159	15.7
280.11017	0.9
281.08075	1.8
291.10086	6.4
292.10956	1.1
295.09634	0.9
296.10413	2.2
303.10211	1.4
308.10544	1.0
309.11295	1.9
311.12759	46.7
312.13251	0.6
317.06589	2.0
321.11230	1.7
323.12744	16.5
331.08218	0.9
333.11328	1.8
335.12759	4.2
339.12354	0.7
341.13879	4.1
347.12924	1.4
353.13837	2.3
359.12854	0.9
365.13940	1.2
377.13736	1.3
401.13910	3.1
405.04886	1.3
419.14938	1.1
505.14972	0.8
508.89825	0.7
523.16089	2.0
541.17194	1.2
559.18024	1.1
581.37354	0.6
592.24744	6.2
606.37421	2.6
624.38226	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87339	1.8
52.25418	1.9
52.91081	1.9
53.03939	5.5
55.01858	8.5
55.05511	16.3
57.03428	16.4
57.07077	10.6
65.03930	8.4
67.05499	75.1
68.99809	2.1
69.03421	3.2
69.07063	28.9
70.06581	3.2
71.04976	4.1
73.02938	1.9
76.75368	2.2
79.05486	41.8
81.03403	6.8
81.07047	40.5
83.04981	3.2
83.08620	10.7
85.06541	6.5
89.06026	5.4
91.04899	2.5
91.05470	50.0
93.07039	43.9
95.04968	71.7
95.08607	31.6
97.06523	5.8
97.10165	4.1
98.21493	6.2
101.18676	2.0
103.05449	2.2
105.07024	70.3
106.07369	3.1
107.04954	17.0
107.08599	23.2
109.06512	31.5
109.10154	10.8
109.16541	2.6
111.08062	3.6
113.05978	14.2
115.05450	6.3
115.07569	3.6
117.07008	23.7
119.08575	30.9
121.06500	11.2
121.10141	13.0
123.08041	6.6
123.11648	2.7
125.09595	3.1
128.06238	4.5
129.07008	14.8
130.07785	3.4
131.08559	37.6
133.06464	5.7
133.08615	2.0
133.10121	21.2
135.08035	18.0
135.11707	10.9
137.09596	2.5
141.06969	4.2
142.07806	2.1
143.08542	17.1
145.06473	7.4
145.10109	25.9
147.08040	8.8
147.11642	13.1
149.09621	5.0
149.13263	4.2
153.06963	2.4
155.08569	8.6
157.10124	12.4
159.08032	5.8
159.11674	18.8
161.09581	6.8
161.13257	6.4
163.11163	4.0
167.08513	4.6
169.10130	12.1
171.11674	10.8
173.09622	4.8
173.13261	7.1
175.14781	3.8
177.12674	4.5
181.10159	5.5
183.11690	8.0
185.09526	3.4
185.13240	8.3
187.11156	4.9
187.14793	5.4
193.10190	2.9
195.11617	4.6
197.07323	4.5
197.13266	3.3
199.14828	6.6
201.12669	2.0
201.16322	2.8
203.14455	2.4
207.11729	3.5
207.13770	2.3
209.13255	5.8
211.14857	2.6
215.17830	2.0
217.15866	7.3
221.13284	2.8
223.14835	3.2
229.15953	3.0
229.88853	3.1
233.15443	2.4
235.14975	2.4
237.16397	4.6
241.19577	3.7
255.17389	2.5
257.19183	2.3
259.20493	6.7
271.17224	2.3
273.18466	22.2
275.19824	2.8
279.15967	7.5
289.18027	5.0
291.19495	26.5
296.33072	3.6
297.33408	4.9
333.24164	6.3
347.22110	14.7
498.05472	10.0
513.36847	6.4
531.38379	4.8
549.39063	7.5
554.71509	2.4
605.41931	22.4
623.42810	100.0
623.52734	22.3
624.42798	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	623.43
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.0
55.01863	6.6
55.05505	35.2
55.86717	1.4
57.03428	3.6
57.07076	7.7
60.95263	1.2
61.62497	1.5
65.03922	2.1
67.05500	48.3
69.03413	3.8
69.07061	31.5
71.04977	3.5
71.59792	2.7
79.05051	2.9
79.05486	38.1
81.03407	6.7
81.07054	40.2
83.04974	5.3
83.08613	13.4
85.06533	1.9
87.04457	1.9
89.06022	4.9
91.05478	33.0
91.06013	2.9
93.07036	26.4
95.04962	9.4
95.08595	27.0
97.06534	5.5
97.10167	20.7
103.05456	1.4
105.07019	37.5
107.04938	5.7
107.08588	23.9
109.06508	4.7
109.10156	14.0
111.08076	3.3
115.05435	3.7
115.07541	1.8
117.07008	20.7
119.08571	24.1
121.06481	4.2
121.10152	8.7
123.08069	2.2
123.11737	3.3
125.09608	13.2
128.06235	6.3
129.06993	18.2
130.07806	2.0
131.08545	17.1
133.08618	1.9
133.10098	15.6
135.08083	4.2
135.11684	7.8
137.09595	2.6
141.06970	8.0
142.07784	3.7
143.08551	15.4
145.06514	3.0
145.10104	18.0
147.08008	3.9
147.11684	10.2
149.09637	2.6
149.13290	2.3
153.07018	2.0
153.09128	2.5
154.07787	1.8
155.08571	13.2
156.09358	1.7
157.10136	14.9
159.08075	2.2
159.11710	11.2
161.09660	2.2
161.13274	4.2
163.11230	2.3
165.06970	3.7
166.07898	1.8
167.08551	7.0
168.09404	2.4
169.10110	15.3
170.10928	1.6
171.08095	1.9
171.10188	2.2
171.11630	11.7
173.09590	1.7
173.11852	1.6
173.13277	4.8
177.12643	1.7
179.08557	3.1
180.09464	1.6
181.10097	10.3
183.11664	13.6
185.13216	7.8
187.11272	2.0
187.14801	3.8
189.11195	8.5
193.10141	3.5
193.12268	1.5
195.11690	8.7
197.07286	3.0
197.09630	1.7
197.13243	10.6
199.11356	1.7
199.14883	6.2
201.12666	1.6
205.10150	1.5
206.11029	1.5
207.11699	4.7
209.13254	8.7
211.11192	2.0
211.14917	5.3
213.16347	2.2
219.11830	1.8
221.13239	3.0
223.14822	4.4
225.16411	4.5
227.12582	9.1
229.19746	1.7
233.13336	2.1
235.14783	2.0
237.16412	4.0
239.17949	2.2
241.19495	2.1
245.19119	1.8
251.18077	2.1
253.19662	2.4
257.18982	2.9
259.20468	2.4
265.19244	1.9
273.18524	2.8
275.20142	3.4
289.18262	1.6
291.19470	14.7
299.23721	1.8
309.22000	2.2
309.39874	1.8
315.23035	2.8
347.22717	2.2
363.26947	2.4
377.28583	2.1
379.30008	8.7
419.29401	1.8
430.01480	1.7
435.32327	2.3
437.30460	1.5
470.10278	1.5
498.05826	5.5
511.34000	1.8
513.37299	3.6
525.35931	8.9
531.38452	7.5
549.39423	4.2
554.35870	2.5
605.42023	19.6
623.43030	100.0
624.43335	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	623.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.7
53.03948	3.9
55.01865	8.4
55.05255	1.2
55.05506	19.2
57.03431	18.4
57.07062	3.1
60.25466	0.6
65.03935	7.3
67.05499	69.8
69.03431	3.1
69.07063	19.2
71.04975	4.0
71.08613	1.9
71.60861	1.2
77.03928	0.8
79.05486	47.7
81.03412	10.0
81.07050	47.5
83.04967	5.8
83.08614	9.6
85.02898	1.0
85.06538	9.5
89.06022	1.2
91.05473	56.0
93.07034	47.4
95.01328	2.6
95.04960	57.8
95.08597	33.8
97.02848	0.9
97.06512	10.3
97.10170	3.3
99.08086	2.6
103.05452	2.9
105.04537	1.3
105.07023	49.5
107.04951	16.0
107.07850	1.3
107.08587	25.5
109.02893	0.9
109.06508	37.5
109.10140	11.4
111.04443	1.1
111.08091	3.0
113.00007	6.2
113.05998	20.6
113.09711	1.1
115.03085	0.7
115.05464	4.1
116.06239	1.1
117.07008	24.5
119.04963	0.8
119.08572	32.2
121.06509	7.9
121.10128	13.0
123.04478	1.4
123.08047	8.6
123.11735	2.9
125.09641	2.9
127.07512	0.8
128.06216	5.1
129.06998	16.4
129.07901	1.2
130.07788	2.0
131.04869	1.2
131.08553	34.7
132.05746	0.7
133.06511	5.7
133.10121	23.2
135.08047	21.1
135.11679	13.5
137.05981	0.9
137.09634	1.9
137.13292	0.7
139.07562	0.7
141.06990	6.6
142.06752	0.7
142.07736	4.3
143.08551	18.8
144.09422	1.1
145.06491	4.8
145.10101	23.0
147.08035	7.2
147.11670	14.5
149.09587	5.0
149.13237	4.3
151.11153	1.7
153.06938	1.7
154.07820	0.9
155.08545	7.2
156.09409	1.5
157.06477	1.7
157.10114	14.7
157.11296	1.3
159.08064	5.4
159.11681	17.3
161.09587	6.8
161.13239	6.4
163.07643	0.9
163.11140	4.7
163.14862	1.4
165.07047	2.0
165.09111	1.0
165.12776	0.8
166.07751	0.7
167.08563	4.5
168.09238	1.4
169.10132	11.2
170.10818	0.9
171.08066	2.1
171.11664	12.4
173.06056	0.8
173.09625	3.2
173.13242	10.7
175.11113	3.4
175.14848	2.4
177.12762	4.8
178.07777	1.4
179.08566	3.2
179.14342	2.6
180.09404	1.5
181.10126	7.2
182.11006	1.7
183.11676	7.9
185.09633	3.1
185.13266	8.6
187.03801	0.9
187.11140	5.0
187.14810	4.7
189.12726	2.3
189.16353	1.4
191.14304	1.0
193.10133	3.7
195.11732	6.7
195.13542	1.2
196.12439	1.0
197.09573	1.1
197.13231	5.8
199.11171	3.5
199.14789	7.7
201.12770	1.9
201.16438	3.0
203.14366	1.3
205.10329	1.0
205.12253	1.7
207.11713	3.4
207.13678	1.3
208.12274	0.8
209.13258	5.1
209.15005	0.9
211.11255	1.7
211.13092	1.0
211.14767	4.2
213.12787	2.3
213.16449	2.4
215.14397	1.4
215.17992	2.4
217.15875	7.0
219.11745	1.7
221.13303	3.4
221.15294	0.9
223.11275	1.0
223.14868	2.6
225.12750	1.5
225.16475	2.5
227.14365	1.2
227.17992	2.4
229.15964	1.3
229.19621	1.3
231.11598	0.9
233.13242	2.1
233.15288	1.3
235.14874	2.5
235.17010	1.1
237.12737	1.0
237.16299	3.8
239.14398	1.2
239.17958	2.7
241.14357	2.0
241.19554	3.0
245.18925	2.0
247.14864	1.4
249.16444	1.2
251.18018	1.5
253.15811	1.0
253.19745	1.0
255.17473	2.5
257.19055	4.9
259.20517	7.2
261.16351	1.0
265.15918	0.9
271.17004	2.1
271.20389	0.7
273.18494	22.4
273.25208	0.7
275.17639	1.0
275.20135	7.9
277.21857	0.9
279.15839	8.1
279.21008	0.8
283.20770	0.9
291.19522	30.1
295.20486	0.9
307.20245	0.7
309.22128	1.0
311.23691	1.4
315.23209	4.2
323.23645	1.2
325.21805	1.1
325.25244	1.3
327.23383	1.0
327.26697	4.1
329.21136	0.9
331.22644	1.3
333.24338	5.6
335.23642	0.7
347.22119	8.6
348.57404	0.8
349.24051	2.3
351.22995	1.5
353.24777	1.3
361.25180	0.9
365.23642	1.4
367.26593	1.3
377.24316	1.0
379.26343	1.0
387.26846	0.9
413.26855	1.6
419.29556	0.8
435.33099	1.1
437.30597	1.0
461.29871	0.8
475.35577	0.7
483.34607	0.8
495.35361	0.8
511.34390	3.2
513.37183	4.4
527.37921	1.0
531.38348	6.8
549.39600	5.7
551.37274	2.9
565.39050	1.7
567.40417	2.5
577.42462	1.0
587.40479	1.4
595.43750	1.7
605.32867	1.6
605.42004	19.7
606.41718	1.1
623.43024	100.0
624.43329	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	623.43
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.2
54.80502	1.4
55.01863	10.7
55.05259	2.4
55.05507	34.4
57.03422	6.3
57.07060	7.5
59.04982	3.1
65.03934	3.1
65.44315	1.4
67.05500	54.3
69.03423	4.3
69.07066	20.6
70.06563	6.8
70.30116	2.1
70.30470	5.9
71.04988	3.6
71.06911	1.3
71.08619	2.3
72.08147	1.7
73.02888	2.3
73.06533	1.8
76.11824	1.3
79.05484	42.3
81.03403	3.7
81.07053	50.2
83.04967	9.0
83.08604	18.6
85.06535	4.0
86.09682	3.1
87.04457	4.0
88.07610	2.4
89.06019	20.6
90.06333	1.4
91.05471	43.1
93.07037	32.7
95.04974	10.0
95.08595	33.0
97.06513	11.8
97.10167	18.2
97.39691	1.3
98.20831	1.5
102.09157	3.3
103.05458	3.5
105.07021	84.1
106.07351	4.8
107.04946	8.2
107.08582	25.2
109.06519	5.6
109.10144	16.2
111.08040	4.2
113.00049	1.4
113.06030	1.5
114.09118	1.7
115.05429	3.9
117.07019	17.4
119.08566	27.1
121.06486	5.8
121.10136	10.8
123.08042	4.8
123.11700	4.2
125.09611	14.1
128.06206	5.3
129.06979	18.1
131.08546	22.2
133.08607	6.6
133.10098	19.4
135.08025	5.4
135.11687	7.4
137.09602	4.2
141.06964	7.7
142.07782	4.0
143.08545	14.4
145.06419	2.3
145.10097	14.3
147.08044	4.3
147.11649	12.5
149.09634	6.5
149.13155	2.5
151.11195	2.3
153.06966	3.1
153.09033	1.7
154.07690	2.5
155.08546	14.0
157.10130	11.7
159.08035	3.0
159.11661	14.9
161.09610	1.4
161.13261	5.5
163.11165	3.6
165.07076	1.9
167.08536	6.2
167.09930	1.3
169.10124	14.2
171.11652	11.9
173.09598	2.3
173.13162	9.3
175.11185	3.4
177.11183	4.1
179.08517	2.4
179.14316	3.9
180.09355	1.8
181.10060	9.3
182.10947	2.6
183.11671	17.5
185.13216	8.3
187.11168	2.3
187.13245	1.6
187.14830	2.5
189.11172	8.6
189.12660	2.0
193.10152	3.0
194.10822	1.9
195.11589	9.0
197.13251	11.7
199.14783	6.3
201.12784	3.5
201.16368	1.7
207.11700	6.5
209.13280	9.1
211.11156	1.9
211.14815	4.2
213.16393	3.0
215.17917	2.6
219.11719	2.0
219.17468	2.2
221.13335	4.5
223.14885	3.6
225.12740	2.8
225.16403	4.4
227.12718	7.6
227.17932	2.4
229.19490	2.0
231.11588	1.8
233.13048	2.0
235.14900	3.1
237.16312	3.8
239.17911	3.2
241.19414	2.1
247.20615	1.5
249.16240	1.8
251.14323	2.2
251.17877	1.5
253.19572	1.6
254.22682	1.5
257.18985	5.7
259.20636	1.7
263.17941	1.9
265.19592	1.8
273.18390	4.2
275.17734	1.7
275.20108	21.5
289.17886	1.7
291.19598	8.5
293.21216	2.3
299.23700	3.7
316.66830	1.5
328.74640	1.5
331.22775	1.4
333.25388	1.5
335.43381	1.4
339.23087	2.7
340.35687	4.3
341.36121	4.9
349.24146	2.1
361.25110	1.6
363.26816	3.1
379.30051	7.2
381.27774	1.6
384.38373	2.3
385.38644	5.3
428.41190	2.5
429.41287	2.9
437.30307	1.5
451.31766	2.0
469.33109	2.6
473.44110	3.4
513.36737	4.4
525.35791	14.5
531.38324	9.0
546.11517	1.5
549.39117	6.1
553.34924	1.8
554.35645	2.3
567.40094	1.9
587.40698	2.5
605.41888	18.0
622.52460	3.3
623.28351	6.4
623.42725	100.0
623.52710	41.2
623.90869	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	623.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
55.05506	5.6
57.07067	4.0
58.38310	1.7
61.02930	2.3
65.61818	1.6
67.05508	5.7
67.13819	1.6
69.03432	6.7
69.07063	6.4
71.08633	3.3
71.59902	2.4
76.02235	2.3
78.35791	1.7
79.05503	8.9
81.03425	4.7
81.07063	17.3
83.08594	5.2
85.02897	19.4
91.05477	14.8
91.32188	2.0
93.07042	36.5
95.04984	5.1
95.08623	12.7
97.02866	5.5
97.10190	3.4
105.07020	18.2
107.04945	3.0
107.08582	14.3
109.06495	3.5
109.10165	5.2
116.97675	1.7
117.06992	6.0
119.08591	11.3
121.06547	2.8
121.10157	5.6
123.08105	2.9
125.06004	9.6
127.03902	5.3
129.07005	4.1
131.08569	8.6
133.10127	7.1
135.04436	1.9
135.08113	2.4
136.52737	2.2
139.07536	2.5
141.06992	2.7
142.07817	2.2
143.08539	6.3
143.24051	1.8
145.05000	2.1
145.10095	8.8
147.08057	8.1
147.11668	4.2
149.05978	66.6
149.09666	3.2
150.98892	2.0
151.07556	4.1
155.08557	5.5
156.91377	1.9
157.10127	10.9
159.08009	4.5
159.11690	4.3
160.33107	2.0
161.09651	3.3
163.07559	16.1
165.09106	18.6
169.10094	6.5
171.11731	3.8
173.09642	6.9
177.09094	4.0
179.04872	3.2
179.10567	2.4
183.11681	3.5
189.09061	2.6
191.10753	3.2
197.09636	2.9
201.09148	4.4
203.10435	1.8
211.11111	3.8
211.14848	15.0
213.16376	2.1
215.10733	2.9
221.13187	5.1
229.15948	2.6
239.14325	33.4
243.13802	2.5
257.15359	100.0
275.16409	25.4
285.18439	10.2
425.34631	2.9
437.21667	19.9
443.35477	4.4
465.24960	3.4
477.69330	2.2
605.40851	4.1
623.41400	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	623.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	0.3
56.96559	4.9
67.05473	0.5
69.07018	0.3
69.82468	1.0
71.25788	0.2
71.95234	0.3
72.96017	0.3
75.72855	0.2
79.05422	0.6
79.16766	0.2
81.03365	0.2
81.07000	0.6
84.95979	0.3
91.05424	0.5
93.06996	0.4
95.08537	0.4
98.97505	0.6
105.06965	0.5
107.08558	0.3
110.97526	0.4
112.99071	0.3
115.53493	0.2
116.98553	0.5
117.06953	0.3
118.43219	0.2
119.08528	0.3
121.06365	0.2
128.98582	1.4
131.00125	0.3
131.08521	0.3
133.10107	0.3
134.99615	0.3
143.08437	0.2
145.01622	0.2
145.10103	0.5
146.99626	2.0
149.01144	0.6
153.02177	0.3
155.03784	0.2
157.01680	0.5
158.97551	0.3
159.11691	0.2
161.01170	0.5
165.00659	0.4
167.03790	0.4
169.01660	0.3
171.03259	1.1
171.04640	0.2
172.35921	0.2
175.02719	0.4
179.02226	0.2
181.01620	0.3
181.05377	0.3
183.03215	0.4
183.11629	0.2
185.04851	2.0
186.01944	0.2
187.02733	0.2
188.12027	0.2
189.04344	1.2
191.05904	0.2
191.59563	0.2
197.04874	0.3
198.01985	0.2
199.06418	2.7
203.05902	4.1
205.01691	0.3
205.07419	0.6
207.06825	0.3
208.06554	0.3
209.06880	0.2
210.01909	0.4
211.06386	0.5
212.03342	0.3
213.07961	0.6
215.05969	0.3
217.07457	6.5
219.03200	0.4
221.06837	0.7
223.02760	1.5
223.06514	0.3
223.08492	0.6
224.03487	0.4
225.04335	0.3
225.07924	0.4
226.05136	1.6
227.09384	0.3
228.03043	0.3
229.07458	0.5
231.06892	0.6
231.08865	0.2
235.08437	0.4
237.04306	3.4
237.07867	0.4
238.05127	0.4
239.09418	0.6
240.09041	0.5
241.03815	0.6
243.08965	0.2
244.06126	0.3
245.10541	0.3
249.07913	0.5
251.05887	0.6
252.06636	0.3
253.11093	0.9
255.05385	0.9
255.08879	0.3
256.06216	0.2
257.10504	0.4
262.08670	1.1
265.07440	0.2
267.08951	1.7
269.06796	0.2
271.12167	0.8
275.19958	0.3
277.10989	0.3
279.08978	0.6
280.09811	3.0
281.10425	0.6
285.10007	0.9
293.10623	0.4
297.09918	0.8
298.10837	1.6
299.11664	0.4
301.14749	0.2
303.11255	0.2
305.14163	0.4
307.15735	1.8
313.16400	0.3
319.15787	0.2
325.16837	0.5
331.15665	17.1
333.19073	1.2
349.16815	100.0
350.17264	1.2
356.20718	0.3
367.17899	5.4
372.18433	9.2
373.18616	0.5
605.35956	0.4
623.36072	34.4
624.35974	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
55.01859	3.1
55.05509	18.0
57.03428	9.7
61.02925	30.2
62.71546	1.8
64.48517	1.6
65.03915	1.8
67.05500	43.8
69.03420	5.8
69.07055	12.5
71.04922	3.6
71.05271	2.1
73.02914	7.8
79.05490	35.5
81.03419	7.7
81.07053	38.0
83.04961	3.2
83.08611	9.6
85.02897	22.2
85.06548	1.6
87.59628	1.6
91.03952	12.9
91.05473	43.0
92.01212	1.6
93.07037	31.2
95.04958	8.9
95.08604	23.1
97.02885	16.3
97.06529	5.6
97.10164	3.6
99.04456	1.5
99.08044	1.8
103.05443	3.8
105.07020	36.3
105.07668	2.9
107.04942	6.5
107.08574	16.9
109.06512	6.2
109.10165	9.0
111.08077	4.1
115.05455	5.0
116.06239	2.0
117.07005	27.4
117.40746	1.4
119.04970	3.0
119.08572	20.9
121.06504	5.7
121.10132	10.3
123.08085	5.7
125.09624	2.9
127.03898	3.9
128.06190	7.9
129.06989	37.9
129.07895	2.7
131.08562	41.7
133.06557	3.7
133.10124	14.4
135.08072	3.5
135.11700	5.0
139.11176	2.0
141.06982	16.0
142.07799	5.0
143.08551	28.9
145.06480	7.8
145.10117	17.8
147.08067	4.4
147.11670	5.2
149.09595	7.4
151.11212	2.8
153.06996	2.1
154.07770	2.5
155.08548	22.7
157.06502	3.7
157.10101	14.9
159.08058	5.0
159.11652	10.8
161.09633	4.1
161.13284	2.0
163.11232	3.7
165.07013	3.1
166.07790	2.3
167.08565	12.6
168.88922	1.6
169.06465	2.0
169.10110	16.7
171.08044	3.3
171.11723	9.6
173.09567	2.2
173.11897	1.6
173.13263	3.6
175.11223	4.2
177.12848	4.1
179.08588	3.7
181.10101	11.3
183.08090	2.0
183.11676	13.8
185.09657	3.6
185.13190	8.2
187.11189	1.9
187.14821	4.1
193.10132	5.1
195.11681	12.7
197.09645	1.9
197.13303	7.7
199.11235	2.7
199.14801	4.0
201.12740	4.2
203.14380	2.5
207.11703	6.2
209.13269	8.7
211.11189	1.6
211.14796	7.2
213.12793	2.8
213.16373	2.1
215.14380	7.1
219.11780	2.8
221.13280	10.0
223.14799	7.7
225.12672	2.7
225.16406	3.0
228.87701	1.5
229.14224	2.0
231.17490	2.3
233.13235	2.3
233.15402	2.0
235.14832	6.0
239.14314	4.5
241.16028	3.5
249.16484	2.3
250.02904	1.7
253.15930	5.1
255.17500	2.1
257.15414	5.8
259.17001	3.1
267.17523	2.8
269.15521	1.9
271.16940	6.3
275.16440	2.1
301.09311	1.9
305.22549	2.0
313.17664	1.5
315.21024	3.8
323.23605	7.4
333.22086	16.8
341.21173	1.8
341.24631	8.5
351.23178	46.2
369.24222	33.6
387.25327	18.2
415.28445	2.3
424.40613	1.5
425.26797	7.0
433.29364	2.7
443.27933	100.0
444.28223	2.7
461.28946	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.9
55.01853	4.0
55.05295	1.4
55.05509	13.6
57.03439	6.6
57.07056	1.8
61.02913	16.3
63.51046	1.3
65.03928	2.5
67.05494	39.3
68.05824	1.2
69.03411	8.3
69.07058	13.5
70.06602	2.4
70.66088	4.0
71.04972	3.3
72.08142	1.1
73.02904	6.5
73.06574	1.2
79.05058	2.3
79.05486	34.7
81.03416	12.1
81.07047	35.0
83.04949	5.3
83.08163	1.7
83.08608	11.4
84.08127	1.1
85.02901	17.7
85.06530	2.6
86.09705	2.2
91.03941	9.0
91.05468	40.1
93.07040	25.6
95.04967	9.5
95.08601	21.1
97.02880	13.0
97.06547	5.7
97.10170	3.8
99.04426	1.7
103.05477	2.2
105.07019	30.1
107.04942	13.4
107.08587	14.7
109.02859	1.7
109.06487	5.5
109.10147	9.8
111.04409	2.4
111.08064	2.2
115.05451	5.4
117.07010	22.5
119.04955	2.4
119.08566	19.9
121.06528	7.2
121.10129	8.2
123.04394	1.4
123.08042	4.6
123.11699	1.9
125.09637	3.0
127.03881	4.7
128.06192	6.1
129.06993	26.6
131.04926	2.1
131.08546	33.7
133.06493	6.4
133.10112	14.6
135.08009	5.4
135.11658	5.4
137.09607	2.5
139.11172	1.3
141.06967	10.5
142.07742	3.5
143.08557	20.1
145.04948	1.5
145.06467	8.6
145.10114	14.1
147.08043	8.0
147.11676	5.7
149.09593	5.3
149.13220	2.7
151.11165	1.5
152.66168	1.4
153.07010	2.4
154.07698	2.6
155.08528	16.0
157.06490	2.9
157.10110	15.2
159.08057	5.0
159.11674	11.1
161.09601	3.9
163.11140	4.0
165.07005	2.0
167.08536	8.2
169.10106	11.7
171.08040	4.4
171.11650	9.4
173.04340	1.2
173.09554	3.4
173.13235	1.9
175.11169	4.7
177.12729	3.3
178.07726	2.3
179.08536	3.2
180.09200	1.6
181.10094	7.9
183.08011	1.8
183.11658	7.9
185.09636	1.7
185.13206	6.0
187.11095	2.7
187.14787	1.8
189.12714	1.9
193.10106	3.5
193.12134	1.8
195.11682	7.0
197.09645	1.9
197.11636	1.5
197.13196	6.9
199.11215	2.0
199.14751	3.2
201.12785	2.5
203.14304	1.4
205.10059	1.5
207.11688	3.5
207.13586	1.4
209.13277	5.4
211.11163	3.5
211.13046	2.0
211.14804	4.4
213.12752	3.6
213.16362	1.3
215.14282	4.1
217.15930	1.4
221.13348	6.3
223.14816	5.0
224.08177	1.6
225.12737	2.3
225.16335	1.3
235.14793	4.0
239.14323	4.4
241.15834	2.0
247.08542	1.5
249.16397	1.5
253.15823	2.4
257.15283	4.7
259.16953	1.8
267.15799	2.1
271.16855	3.5
275.16260	1.9
285.18533	2.3
305.22391	1.5
323.23657	4.2
333.22116	9.3
341.24628	6.4
349.16949	1.8
351.23129	28.0
369.24225	32.3
387.25223	20.8
396.12323	1.6
425.26654	5.7
443.27890	100.0
444.28351	1.6
461.28958	63.3
474.51202	1.3
477.26819	1.6
485.28998	3.3
503.30112	3.0
587.31641	3.5
605.32867	3.6
623.33569	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	623.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
71.09223	5.2
78.53171	2.8
95.71276	2.5
102.89458	2.8
107.02046	2.4
119.08585	2.7
243.79201	2.7
391.19305	4.2
392.20117	4.6
405.20703	3.5
407.22406	13.3
415.19028	4.7
421.23911	12.7
428.20129	4.0
429.20541	13.0
442.21814	3.5
443.22354	7.5
456.80460	3.1
457.24146	4.4
458.24661	6.1
459.21796	4.2
461.19687	3.9
472.22455	6.4
473.23227	3.7
475.21078	4.3
485.23395	10.7
486.24570	5.1
503.24487	7.2
508.89270	3.0
517.25836	10.1
535.26678	5.2
545.25421	86.3
573.25061	17.0
605.27563	100.0
623.28595	88.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	1.6
56.96559	1.7
60.04508	1.9
60.50576	0.7
70.06590	16.0
71.58751	1.4
72.08161	5.7
76.02256	1.2
84.04499	4.6
84.08141	7.1
86.09692	5.1
91.05470	1.4
98.97585	3.5
101.07167	1.0
102.05557	1.5
105.07012	1.5
107.04964	8.9
108.05286	2.0
110.07172	5.5
115.08652	1.2
116.07095	1.1
116.98627	4.5
120.08115	3.0
128.98643	1.2
129.06616	1.2
129.10243	4.2
130.60896	0.8
133.06497	4.9
134.99664	2.9
136.07579	3.0
140.98619	1.1
143.00189	2.5
145.06471	1.5
146.99670	2.1
147.04436	1.0
152.98605	1.6
156.07652	1.0
158.99629	1.7
161.01266	2.9
170.99677	3.0
173.12921	1.5
177.00763	2.9
180.70612	0.8
188.00633	1.8
189.00729	2.1
195.01793	1.1
201.00775	1.5
205.03253	2.8
206.01598	5.9
207.08278	1.3
215.13785	1.2
219.01729	8.2
222.06541	0.9
223.04326	1.2
225.09131	2.9
226.09476	2.6
231.05333	1.2
233.02666	3.5
237.02834	23.8
255.03972	2.6
261.02438	0.9
267.10025	1.8
268.10538	2.2
285.11249	2.3
286.11548	2.4
287.07303	1.3
291.07666	1.2
303.07458	6.9
321.08560	29.7
335.09412	1.6
344.10242	2.2
348.09683	4.6
354.13513	0.9
363.09570	14.6
366.10864	2.8
390.10736	2.0
402.10999	1.9
461.12704	1.4
479.13702	42.5
480.14786	1.4
521.14771	8.9
528.87134	0.9
561.18390	1.1
623.18811	100.0
624.18872	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	622.5244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	0.6
55.05505	3.4
57.07071	9.5
57.07333	0.5
58.06598	8.1
58.07370	0.3
67.05506	2.6
69.03382	0.3
69.07061	4.9
69.75622	2.0
70.04055	0.5
70.06589	4.4
71.08625	4.8
72.08115	1.3
79.05481	2.3
81.03365	0.9
81.07053	2.1
83.08611	1.9
84.08090	0.8
85.10181	2.2
86.09656	1.3
87.04424	0.6
88.07630	2.0
89.06026	3.9
91.05480	2.3
93.07039	1.9
95.04958	1.7
95.08598	1.5
97.06503	0.5
97.10121	1.2
99.08038	0.3
100.07610	0.4
100.44772	0.3
102.09133	1.2
103.05419	0.5
105.07026	4.7
106.03605	0.3
106.07307	0.5
107.04943	0.7
107.07040	0.4
107.08542	1.4
109.06471	0.4
109.10103	0.8
114.09171	1.4
115.05358	0.3
117.06973	0.9
119.08540	1.3
121.06466	0.5
121.10094	0.8
125.09609	0.4
129.06966	0.7
130.08658	0.3
131.08507	1.2
132.10164	0.4
133.08530	1.2
133.10063	0.9
135.11604	0.4
141.06938	0.4
145.10052	1.0
146.11734	0.6
147.08020	0.7
147.11656	0.7
149.09605	0.6
151.11133	0.4
157.10121	0.6
159.11664	0.7
163.11121	0.3
165.09045	0.3
173.11624	0.3
175.11246	0.4
177.12665	0.5
183.55086	0.3
190.14378	0.4
197.07156	0.3
197.13248	0.5
199.85577	0.3
201.88838	0.3
220.15189	0.4
223.23431	0.3
227.12875	0.4
243.04964	0.3
273.18442	0.4
274.18671	0.5
275.20023	1.1
291.19516	0.6
293.21094	2.1
296.33096	58.2
297.33218	0.9
314.27664	0.4
322.34714	0.7
324.36099	0.7
340.35696	7.1
384.38245	2.7
410.83621	0.4
428.40826	1.7
472.43842	1.8
516.46198	0.6
560.49469	0.4
604.51416	0.7
622.52478	100.0
623.42761	2.2
623.52869	3.9
641.42676	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.5252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.8
55.05513	2.3
57.03412	0.5
57.07076	8.1
58.06597	2.6
62.53561	0.3
67.05502	2.7
68.05023	0.4
69.07073	1.9
70.06589	19.0
71.08633	2.6
71.59496	0.6
72.08147	2.3
74.06066	0.3
79.05504	2.3
81.03405	0.5
81.07076	2.1
83.04982	0.6
83.08624	0.6
84.08161	2.2
85.10165	1.5
86.09701	3.6
87.04461	0.5
88.07629	11.1
89.06026	3.6
91.05472	2.0
93.07033	2.6
95.04961	1.3
95.08600	1.6
97.06532	0.7
97.10149	0.3
102.09176	8.0
105.07024	4.3
107.04966	0.7
107.08594	1.0
109.06538	0.8
109.10155	0.8
114.09170	3.3
117.06988	0.9
119.08569	1.6
121.06522	1.4
121.10156	0.6
123.08154	0.3
129.06998	0.7
131.08589	1.5
132.10193	3.3
133.08607	0.7
133.10182	1.1
135.08057	0.3
135.11729	0.3
143.08562	0.5
145.10132	0.7
146.11743	3.1
147.08041	0.6
147.11682	0.8
155.08513	0.6
157.10152	0.6
159.11678	0.6
161.13316	0.4
165.09172	0.3
169.10127	0.4
171.11626	0.3
173.13141	0.4
176.12817	0.9
177.12721	0.3
179.14345	0.4
183.11691	0.4
190.14421	0.6
209.94447	0.3
219.17485	0.7
275.20132	1.9
296.33054	2.2
307.36148	0.3
322.34665	2.4
324.36160	1.7
340.35730	28.8
341.35843	0.6
381.60995	0.3
384.38370	14.5
385.38760	0.4
428.40942	5.0
516.46265	2.6
560.48688	3.0
604.51654	5.4
605.41766	0.5
622.52496	100.0
623.42908	2.0
623.53021	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	622.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	8.1
55.05507	20.9
57.07071	9.0
67.05501	48.6
69.03400	4.2
69.07066	17.1
70.09093	15.9
70.09512	9.1
71.04993	5.4
71.08621	17.6
79.05511	30.1
81.03410	16.1
81.07053	43.0
83.04976	10.3
83.08611	9.6
91.05472	13.1
93.07039	37.7
95.04961	22.5
95.08617	28.3
97.06499	7.4
97.10137	6.6
98.66334	4.3
99.08107	13.7
105.07044	18.8
107.04968	4.5
107.08608	12.8
109.06493	5.8
109.10152	16.3
119.08610	16.7
121.10132	15.2
133.10130	18.0
135.11719	7.3
137.09593	12.1
139.11194	8.9
147.11734	11.1
148.89520	4.1
149.13243	8.9
151.11194	17.5
159.11714	7.1
161.13335	5.2
177.12766	4.8
195.13934	4.5
199.13322	5.1
221.15497	4.0
225.78584	3.9
233.42220	3.9
237.89774	5.1
246.14853	4.2
247.06839	4.5
257.09418	4.9
266.15701	4.4
277.21588	97.3
293.21127	100.0
295.22632	59.1
296.33112	8.8
366.19061	4.9
470.16214	4.3
613.01465	5.7
622.52203	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	621.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	14.2
57.03426	28.6
57.07072	59.0
58.53864	9.9
63.39627	12.1
67.05499	69.1
69.07056	28.3
71.04981	16.4
71.08618	44.6
71.60699	14.9
79.05481	27.7
81.07050	62.4
83.08593	15.2
85.10172	19.5
89.80997	9.2
91.05460	45.4
93.07031	39.7
95.04938	17.6
95.08591	54.3
97.06509	32.6
105.07006	31.2
107.04948	18.1
107.08545	26.4
109.06513	29.7
109.10162	27.2
117.07001	23.9
119.08575	28.7
121.10132	19.3
123.08059	12.6
123.11678	9.5
131.08560	24.5
133.10104	15.2
135.08026	12.6
145.10129	15.4
147.08023	12.6
149.09529	16.4
155.34102	10.8
157.10144	19.7
159.11746	17.3
161.09607	19.8
163.11172	14.6
169.10127	13.3
217.15889	27.7
221.99297	9.1
245.19203	9.6
273.18472	100.0
291.19412	18.0
313.27313	78.7
318.42352	10.3
324.09097	10.5
347.22076	17.5
512.76910	11.1
603.46008	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.1
55.01870	16.2
55.05259	3.6
55.05508	50.6
56.96535	2.9
57.03423	8.3
57.07067	4.1
65.03924	4.5
67.05497	76.6
67.43000	2.7
69.03414	10.9
69.07056	48.5
69.30667	23.3
69.31089	7.1
71.04975	6.8
73.06564	2.5
79.05056	4.1
79.05484	59.5
81.03399	23.1
81.06579	6.4
81.07050	100.0
83.04972	11.6
83.08606	37.5
85.02878	8.8
85.06531	5.6
91.05470	56.6
93.06459	5.2
93.07029	66.3
95.04951	26.1
95.08594	63.0
97.02882	6.2
97.06512	15.2
97.10144	18.6
99.04474	3.1
99.08068	7.5
105.07014	54.2
107.04946	30.5
107.08583	46.1
108.05219	3.5
109.06506	17.4
109.09532	3.4
109.10151	28.5
111.08071	11.2
117.06996	29.0
119.08571	49.6
120.08105	2.7
121.06500	11.2
121.10115	29.1
123.08044	11.2
123.11710	5.5
125.09624	15.2
127.03928	3.7
129.06979	18.3
129.54652	2.5
131.08563	29.4
133.10123	31.0
135.08038	10.4
135.11658	21.4
139.11113	3.2
141.06955	3.7
143.08539	14.5
145.06471	7.6
145.10088	34.0
147.08025	5.6
147.11674	24.1
149.09593	13.0
149.13217	8.6
151.11124	6.3
155.08527	4.9
157.06444	5.1
157.10124	15.0
157.11320	3.1
159.11700	19.7
161.09535	3.7
161.13290	4.5
163.11139	22.3
165.12613	3.0
167.08661	3.5
169.10101	12.7
171.11667	12.2
173.09550	4.5
173.11853	3.0
173.13248	10.2
175.11179	8.6
177.12587	4.4
181.10139	5.1
181.12341	3.1
183.11658	7.3
185.13229	13.0
187.11324	3.4
187.14822	4.1
189.11194	10.3
189.12679	6.6
195.11737	8.2
197.13329	6.8
201.12724	4.2
203.14339	3.4
211.14862	6.9
213.16411	4.6
227.12614	20.0
229.07198	3.0
229.19632	3.3
233.15210	3.1
235.16913	6.2
237.16548	3.3
257.19080	7.1
273.18341	3.5
275.17227	5.6
275.20038	66.5
277.21509	4.4
291.19620	6.9
293.21088	22.6
301.14526	2.9
301.21570	3.4
315.23346	4.7
327.23282	4.1
329.99457	2.8
336.24976	2.8
351.85867	2.8
439.31982	3.2
451.31534	2.9
455.31543	5.6
457.32828	7.4
461.32431	10.7
469.32922	5.2
473.32547	11.6
475.33801	3.5
485.32666	3.1
487.33823	6.6
491.33380	9.0
497.31979	4.0
505.35437	4.7
512.32971	2.8
549.38989	6.5
567.40265	9.4
585.41925	16.2
603.41461	8.0
621.32758	19.5
633.88190	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	621.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.6
55.01863	5.4
55.05510	23.8
57.03439	8.6
57.07078	27.9
61.02919	10.2
61.73579	3.8
65.03931	6.5
67.05498	14.4
69.03425	29.8
69.07066	35.4
70.06599	7.4
71.04983	7.4
71.08630	24.4
71.59028	5.4
73.02910	6.4
79.05483	13.3
81.03410	14.1
81.07050	29.9
83.05000	3.9
83.08624	24.0
85.02903	69.7
85.03381	6.6
85.10187	29.9
87.04488	9.3
90.17287	3.2
91.05482	18.3
93.07033	33.8
95.04966	9.1
95.08617	29.0
97.02893	22.2
97.06520	4.4
97.10146	19.0
98.91521	3.1
99.04480	4.3
105.07028	19.4
107.04952	7.1
107.08595	20.5
109.02888	11.3
109.06509	5.9
109.10160	23.3
111.11714	6.9
117.07020	5.9
119.08575	11.4
121.02899	13.2
121.06487	13.0
121.10146	9.7
123.04439	5.1
123.08080	8.3
123.11729	11.4
127.03917	19.8
128.06273	5.4
129.07016	10.1
131.08525	17.3
133.06522	5.3
133.10156	4.5
135.04416	23.6
135.08037	4.9
135.11717	7.1
137.06004	7.4
143.08572	13.9
145.04980	12.4
145.06525	8.2
145.10172	16.7
147.04451	4.5
147.08063	11.0
147.11688	5.7
149.02367	6.3
149.05994	6.0
153.09195	5.6
155.08524	7.1
157.06468	5.5
157.10143	11.0
159.08054	11.6
159.11678	9.6
161.05978	4.5
161.09634	6.5
163.07457	3.6
165.05420	4.2
167.07120	5.2
167.08652	3.9
169.10139	5.6
171.08051	9.0
171.11702	5.5
173.09644	19.3
173.13275	4.7
175.07536	5.1
175.11273	3.5
181.10164	4.7
183.07993	5.3
183.11671	6.0
185.09589	3.5
185.13208	4.3
187.07578	4.6
187.11197	14.9
189.09113	5.4
193.05019	7.1
199.11194	13.0
201.12788	14.2
203.10809	5.3
209.13368	3.6
215.10677	5.9
215.14270	5.3
217.12260	8.5
223.20578	5.1
225.12912	6.0
227.14314	7.1
229.12207	37.0
231.13829	5.4
243.13831	9.5
245.11705	11.4
245.15463	5.8
247.13225	17.4
261.14841	7.7
263.12766	12.8
265.15894	8.9
267.17621	4.3
273.10092	6.3
273.14856	4.8
273.18546	4.3
283.17047	7.2
295.20709	4.9
367.17834	10.7
385.18918	7.2
395.17014	32.1
399.16489	7.1
405.31546	9.7
409.18457	27.1
423.20139	4.2
423.32642	18.0
425.18149	4.3
441.33759	41.9
459.34796	33.2
463.23129	3.8
585.37555	5.8
603.38995	35.9
610.99213	5.1
621.39923	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53943	2.6
53.03946	5.1
55.01857	4.6
55.05513	19.7
55.05740	3.7
57.03437	6.8
57.07074	9.3
57.15520	2.7
61.02923	4.8
64.47129	2.7
67.05505	9.2
67.56903	2.5
68.53456	2.6
69.03416	18.3
69.07064	21.6
69.53992	2.5
69.54322	23.1
70.06598	3.3
71.08622	5.2
73.02903	4.5
79.05492	16.5
81.03416	7.7
81.07036	24.3
81.34131	2.7
83.08617	16.3
85.02901	39.4
87.04472	4.3
91.03983	3.7
91.05473	16.4
93.07047	25.8
95.04979	4.0
95.08596	21.1
97.02902	10.3
97.06528	3.3
97.10143	13.9
99.04485	3.9
105.07040	20.5
107.08583	19.6
109.02871	7.1
109.06513	5.4
109.10153	11.3
111.11750	2.8
117.07025	5.9
119.04955	2.8
119.08591	16.8
121.06509	7.3
121.10153	9.2
123.08080	2.8
123.11752	5.8
125.05999	5.5
127.03934	10.7
128.06227	3.6
129.06987	2.7
131.08588	11.4
133.10143	12.1
135.08101	3.7
135.11671	4.6
137.05956	3.9
138.20131	2.7
139.07465	2.7
143.08614	7.1
145.04945	4.8
145.10149	9.4
147.08076	12.4
147.11711	4.0
149.02371	4.7
149.05986	28.6
149.09598	3.3
151.07552	9.2
151.14783	3.3
155.08569	4.2
157.10130	12.3
159.08099	8.7
159.11714	4.7
161.09677	10.1
163.07596	11.0
165.09172	8.4
169.08710	4.1
169.10185	7.2
171.11768	5.7
173.09692	7.4
173.13336	4.4
175.07567	11.4
175.14867	4.3
177.09174	3.0
181.10135	3.1
183.11755	5.4
185.13229	3.6
189.09143	5.5
189.47624	2.7
193.04997	4.2
193.15900	3.2
199.14810	5.3
201.09151	4.5
207.10185	3.9
211.11259	2.8
211.14874	11.1
213.12712	6.4
221.13240	3.3
227.14438	3.7
229.15790	6.1
239.14203	14.5
241.15927	3.7
243.13893	3.3
245.15427	5.8
247.17033	5.4
253.15813	3.3
256.26376	4.1
257.15344	33.6
271.16998	11.0
273.18518	3.5
275.16446	11.2
283.16882	3.0
371.20950	6.2
389.22299	9.8
395.33118	4.4
405.31534	4.0
423.32608	12.2
425.21552	3.6
437.21466	18.0
441.33673	22.6
449.89044	3.3
451.23236	6.9
459.34772	12.1
463.23389	7.6
603.38818	27.6
621.39880	100.0
621.48492	5.6
622.39923	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	621.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91747	1.5
53.03942	6.1
55.01862	3.3
55.05510	20.9
57.03429	5.8
57.07076	12.1
61.02929	6.6
67.05505	14.8
69.03434	25.7
69.07069	26.6
69.57661	9.9
69.58070	2.8
71.04980	2.3
71.08633	8.9
73.02898	4.1
79.05495	8.4
81.03413	10.5
81.07063	23.2
83.04990	1.5
83.08621	16.7
85.02905	52.3
85.10185	3.8
87.04462	5.0
89.07210	1.3
91.03968	2.7
91.05473	15.7
93.07039	20.6
95.04987	2.8
95.08611	20.5
97.02885	19.6
97.06547	2.2
97.10184	12.8
98.20738	1.8
99.04458	4.4
101.02419	1.5
103.05442	1.5
105.07026	17.6
107.04960	1.8
107.08589	10.7
109.02876	6.5
109.06515	5.0
109.10172	13.7
111.08096	2.7
111.11723	5.8
117.07034	5.2
119.04955	3.8
119.08617	9.6
121.06502	8.6
121.10116	7.0
123.08076	3.0
123.11716	4.5
127.03923	11.4
128.06245	3.5
129.06992	5.4
131.08549	10.7
133.06491	2.8
133.10132	8.4
135.04440	2.8
135.08054	7.1
135.11711	2.8
137.06015	3.1
137.13278	2.1
141.07022	2.9
142.07755	1.4
143.08611	7.3
145.04967	6.6
145.06499	4.0
145.10123	7.1
146.07297	2.8
147.08038	7.0
147.11668	3.9
149.02466	3.2
149.05989	6.3
149.09657	2.1
151.07536	10.0
155.08578	3.0
157.06447	1.5
157.10143	6.6
159.08081	9.5
159.11754	4.0
161.05988	3.0
161.09613	36.4
163.07556	20.4
163.11240	1.9
165.05482	8.2
165.09195	2.7
167.08540	2.2
169.08713	2.8
169.10184	4.3
171.08038	3.9
171.11731	4.6
173.09645	8.4
173.13211	2.7
175.07542	2.7
175.11243	3.7
180.09332	1.6
181.10193	4.4
183.11736	5.0
185.09674	3.6
185.13309	2.7
187.07527	12.3
187.11192	3.5
189.09106	39.9
189.12729	1.5
191.10719	5.7
193.05103	2.4
193.10143	2.4
195.11702	4.4
196.00574	1.3
196.08913	1.3
197.09676	2.5
197.13222	3.6
199.11171	9.4
199.14833	5.0
201.09152	1.5
201.12775	5.7
203.10692	3.0
203.14258	2.0
205.08601	44.3
207.10155	39.0
209.09689	1.5
209.13306	3.8
211.11180	10.9
211.14929	2.6
213.12732	7.0
215.10757	2.5
215.14490	2.1
217.12177	2.0
223.11298	2.3
223.14822	2.2
225.12785	3.4
227.10744	2.9
227.14317	10.4
229.12167	13.2
237.12827	2.7
239.14354	3.0
241.12354	3.6
243.13733	4.2
245.15347	14.8
247.13382	6.2
251.14392	3.6
253.15869	2.3
255.13872	12.5
255.17381	2.4
257.15399	8.5
261.14807	3.1
263.16367	11.7
265.15814	3.0
269.15277	6.5
271.17038	2.5
273.14798	22.2
275.16458	2.6
283.16992	5.1
287.16614	3.8
291.15994	4.9
296.47571	1.4
297.18530	1.9
301.17932	1.9
315.23209	1.5
335.25842	5.0
336.26196	4.0
369.27908	1.7
395.33218	3.5
405.31689	4.6
423.32571	29.0
423.37784	1.7
425.21564	8.5
425.34027	3.1
437.21838	10.0
441.33652	60.8
449.21927	3.1
459.34766	34.9
462.84119	1.5
495.38846	1.4
575.39691	2.1
603.38934	9.8
621.39996	100.0
622.40149	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	621.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56689	0.8
53.03935	1.9
55.01858	1.7
55.05515	39.0
56.60361	0.8
57.03424	2.0
57.07077	6.6
61.02924	1.7
67.05503	10.5
69.07071	35.5
71.05011	1.2
71.08630	6.9
71.50493	1.0
71.50851	1.2
79.05510	7.0
81.03383	1.5
81.07061	25.5
83.08623	59.4
85.02917	7.8
85.06541	1.9
85.10188	3.4
89.06046	0.8
91.05494	7.0
93.07048	22.2
95.04979	2.7
95.08611	31.7
97.02890	3.5
97.06525	1.6
97.10171	20.1
99.08134	1.2
103.93128	0.7
105.07021	4.2
107.08594	17.7
109.02879	1.3
109.06555	1.3
109.10159	11.9
111.08077	3.2
111.11723	10.2
113.09653	1.0
119.08558	2.7
121.06538	3.9
121.10141	25.6
123.08118	1.7
123.11716	9.0
125.09644	2.7
127.03936	1.6
129.07014	0.9
129.64000	0.8
131.08566	2.6
133.10107	1.4
135.08057	2.2
135.11685	5.9
137.05983	5.7
137.13290	1.5
139.07581	1.1
139.11166	1.8
145.04947	1.4
145.10109	1.4
147.08047	1.8
147.11699	1.1
149.09677	1.1
149.13286	2.4
151.07570	2.4
157.10237	1.0
159.11720	1.5
169.08604	1.2
173.09689	0.9
177.16389	15.2
179.17961	2.5
187.11139	0.8
195.17465	7.7
201.12727	1.2
215.14334	1.0
217.15862	1.0
219.13707	1.2
229.15891	2.9
237.15027	1.0
245.15417	2.3
247.16968	11.6
263.16455	2.9
265.18021	8.8
313.27460	1.4
339.21790	0.9
357.22763	3.4
399.20206	2.8
409.22614	1.0
423.32733	1.3
425.21820	10.0
427.23373	3.1
440.22406	0.9
441.33713	2.0
459.34402	2.3
474.66867	0.9
488.11020	1.0
561.37604	1.2
603.39954	3.2
621.39984	100.0
622.40790	2.0
647.60938	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04602	2.2
55.01862	3.3
55.05509	18.5
57.07076	5.7
61.02908	4.0
67.05505	8.2
69.03431	10.2
69.07065	23.3
70.06592	2.7
71.08620	9.5
71.60055	4.5
75.96803	2.2
79.05493	10.8
81.03410	7.6
81.07050	14.3
83.08627	9.4
85.02907	26.1
85.10165	3.7
87.04440	5.4
91.05481	12.3
93.07043	15.4
95.08583	12.2
97.02894	10.0
97.06541	3.4
97.10179	11.5
104.10643	2.5
105.07011	12.4
107.04910	2.8
107.08620	12.1
109.02877	4.2
109.06508	5.1
109.10146	6.6
117.06992	4.3
119.08580	8.9
121.06486	11.7
121.10124	5.5
123.08099	3.3
127.03927	10.5
129.06924	3.7
131.08585	8.8
133.06454	4.1
133.10152	7.8
135.08049	27.9
135.11674	4.3
141.46375	2.3
143.08563	5.9
145.04982	3.8
145.10143	9.0
147.08020	11.6
149.02342	6.7
149.09612	4.4
157.10120	8.6
159.08095	8.7
159.11722	4.0
161.09637	9.5
171.08043	3.1
171.11674	3.1
173.09627	7.5
173.13335	4.2
175.11201	4.3
175.14767	6.2
176.15146	5.1
181.10120	3.1
183.11714	5.0
185.09656	2.5
185.13205	3.2
187.11221	3.2
189.09120	3.8
193.04938	6.7
193.15848	6.0
194.16203	7.3
199.11203	4.5
199.14821	4.1
201.12788	15.0
207.11574	2.4
213.12767	4.9
215.14383	5.8
219.13795	4.7
227.14258	4.3
229.15852	24.4
233.15305	4.9
237.16469	3.7
241.15912	4.0
247.16908	20.2
255.13657	5.7
259.16870	3.0
273.14954	6.0
283.17035	3.8
287.23715	2.7
297.22012	3.9
307.20425	2.7
311.20239	3.6
329.24661	6.1
381.31430	3.4
399.32535	3.1
405.31564	5.4
409.22150	34.1
423.32523	22.0
435.20007	10.7
441.33490	23.5
463.23315	3.2
561.37677	6.5
575.39313	13.7
585.37451	6.7
603.38922	100.0
604.38885	5.8
621.16315	3.5
621.40118	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	621.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.4
55.05513	15.3
57.07074	5.4
64.07290	1.7
67.05509	13.0
69.07074	19.9
70.06581	9.5
70.55549	1.7
71.08627	2.8
71.59389	2.7
72.08147	2.2
76.02216	4.9
79.05489	8.9
80.50842	2.1
81.07049	15.1
82.24393	1.9
83.08636	11.0
84.04504	2.5
84.08125	2.1
85.02912	9.0
85.10206	2.4
86.09708	6.9
91.05482	12.9
93.07041	22.6
95.04974	5.6
95.08620	24.2
97.02885	3.3
97.10168	4.6
100.78054	1.9
105.07028	12.5
107.04961	14.1
107.08591	24.8
109.06541	4.3
109.10167	18.4
117.07014	5.2
119.08578	10.0
120.08112	2.8
121.06512	13.4
121.10142	13.3
123.11723	5.6
127.03927	2.7
129.06989	4.5
131.04958	2.2
131.08624	9.2
131.09642	2.2
133.06490	6.2
133.10130	6.5
135.08142	9.5
135.11678	5.0
135.60394	2.1
136.06216	4.3
137.09598	17.4
137.13261	10.4
143.08588	9.1
145.06476	3.7
145.10130	15.8
147.08075	6.2
147.11722	4.2
149.09674	3.1
149.13272	3.3
151.07536	2.5
155.08569	5.7
157.06458	2.8
157.10149	9.3
159.08063	22.8
159.11742	6.9
161.09584	5.3
165.09195	2.5
165.39575	2.3
167.08617	1.9
169.10110	2.8
171.08136	3.0
171.11729	7.9
173.09633	37.5
173.11031	3.1
173.13286	6.8
175.11200	6.6
179.04872	6.1
179.08536	2.8
181.10114	2.8
183.11790	4.6
184.07347	3.5
185.09677	3.2
185.13297	7.7
187.11203	6.1
189.12785	5.5
191.10728	4.9
193.08571	4.5
195.11722	4.2
196.12358	1.9
197.13280	4.0
199.11256	6.3
199.14838	5.9
201.12717	29.6
201.16502	2.3
203.14484	2.1
209.13312	4.2
211.14813	2.1
213.12784	9.9
215.14313	11.3
219.13832	5.7
223.14919	2.1
227.14372	10.0
229.15932	2.3
231.13824	6.0
233.15419	5.6
239.14317	2.6
245.15492	3.0
259.17029	3.2
267.17529	3.9
269.19150	2.9
283.17111	3.4
285.18481	21.3
287.20154	4.3
297.18646	3.0
297.21924	2.5
299.19901	2.4
301.21716	3.4
311.20200	3.3
311.23709	4.0
313.21634	8.3
315.23178	4.6
321.22131	3.6
325.21747	8.5
327.23352	2.2
331.26254	2.5
333.24347	2.5
339.23254	18.2
353.24792	5.0
405.31607	5.1
423.32590	48.1
441.33664	40.8
493.23679	3.2
603.38971	2.7
621.39948	100.0
622.27533	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	621.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.05514	11.5
56.91276	1.2
57.03432	4.0
57.07077	8.2
61.02916	4.5
67.05502	4.7
69.03420	14.3
69.07066	19.6
69.46336	10.5
71.04972	1.6
71.08632	7.4
73.02901	1.7
79.05483	8.6
81.03419	3.9
81.07042	9.5
83.08614	8.4
85.02904	25.7
85.10180	4.0
87.04454	2.0
91.03951	1.6
91.05480	8.9
93.07036	10.1
95.04977	1.9
95.08600	15.8
97.02877	11.6
97.06524	2.5
97.10142	5.8
99.04442	2.5
105.07022	7.9
107.04968	4.1
107.08585	11.3
109.02903	5.9
109.06501	1.2
109.10175	4.4
111.11730	2.8
115.34790	1.1
117.07010	2.7
119.04968	2.0
119.08556	5.9
121.06499	8.4
121.10155	4.2
123.08086	2.4
127.03910	5.1
128.91183	1.4
129.06964	1.4
131.08565	5.7
133.06494	2.7
133.10156	4.8
135.08044	29.1
135.11661	1.7
141.06993	1.3
143.08572	5.3
144.38948	1.3
145.04982	3.4
145.06526	1.7
145.09100	1.3
145.10052	7.1
147.08044	6.6
147.11656	2.1
149.02350	4.1
149.09616	4.1
155.08531	2.7
157.10114	2.6
159.08017	7.0
159.11685	4.3
161.09595	6.2
161.13289	1.5
163.11261	1.7
167.08522	1.3
169.10109	3.3
171.08101	2.1
171.11703	3.6
173.09596	8.3
173.13252	3.7
175.11205	3.9
181.10161	1.8
183.11697	1.6
185.09679	2.8
185.13275	4.3
187.11211	5.4
187.14737	2.0
189.12852	1.6
191.10687	2.0
197.13190	1.4
199.11183	3.8
199.14801	2.7
201.12729	14.2
201.16431	3.5
208.83357	1.3
209.13306	1.4
211.14853	3.7
213.12755	2.6
213.16478	1.8
215.14297	6.7
219.13791	4.5
221.13289	1.5
223.14905	1.6
225.12776	1.3
227.14336	3.1
227.17889	1.2
229.15868	26.3
233.15320	3.6
237.16452	1.7
241.15860	2.9
245.15353	2.0
247.16905	18.5
255.13727	3.6
259.16913	1.7
264.41406	1.3
265.15881	3.6
273.14880	4.3
283.16946	3.7
287.23810	1.6
311.23691	1.5
329.24744	3.6
347.25833	1.5
377.32300	1.7
405.31403	4.8
409.22141	30.4
417.07242	1.4
423.32620	15.7
435.20227	3.5
441.33664	15.7
459.34668	3.1
463.23035	1.4
473.25302	1.4
561.37982	2.0
575.39410	11.3
585.37469	4.8
603.38910	100.0
604.39081	1.6
621.39587	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	621.2703
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.05495	0.6
57.07056	0.6
58.99006	0.5
61.47724	0.4
67.05498	1.0
69.07054	0.6
70.43143	0.4
71.08655	0.4
71.60175	0.7
71.60533	0.6
75.25724	0.5
78.51257	0.5
79.05489	0.8
81.07045	1.0
91.05489	0.6
93.07066	0.6
95.08604	0.6
105.07001	0.7
121.02603	0.5
174.99356	0.5
195.09073	0.6
206.45651	0.6
209.10756	0.7
211.13248	0.8
232.84492	0.5
255.86314	0.5
312.11731	0.5
322.71173	0.6
375.16129	0.8
387.16092	0.9
388.16882	1.1
389.17499	3.7
390.18274	1.8
391.19199	1.0
401.17847	1.1
402.18610	1.6
403.19391	5.1
404.19861	2.2
405.20618	3.2
409.90814	0.5
415.15088	1.0
415.19870	0.7
416.16382	1.5
417.16022	3.5
417.21008	2.9
418.17227	0.9
418.22018	1.1
419.22446	7.3
420.23419	0.7
430.17368	1.0
431.18140	7.8
432.18909	2.7
433.20065	2.7
443.18567	0.9
445.19974	5.7
446.20892	6.3
447.21722	8.7
448.21985	0.6
459.17126	0.8
459.21881	2.3
461.20230	1.1
463.21350	0.6
473.19077	1.5
474.20505	6.1
475.21088	6.3
487.21393	3.2
491.20892	0.7
501.23199	1.3
505.26331	1.1
518.23334	0.7
519.20599	0.7
533.25500	13.6
561.24915	18.8
589.24646	1.4
593.27661	2.8
621.27032	100.0
622.27374	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	621.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.83266	0.6
67.05501	1.7
69.32238	7.6
69.90135	0.6
70.04078	0.9
70.06583	2.8
70.48962	0.6
71.04995	0.9
72.08147	0.9
73.02901	2.1
79.05509	1.3
80.05518	1.0
81.03393	1.9
81.07034	0.9
82.06519	0.8
83.08614	0.7
84.08141	1.3
85.02889	1.5
86.09677	0.8
87.04465	1.6
89.06024	9.2
91.05476	2.0
91.72308	0.6
93.07023	1.8
94.06566	1.7
95.04971	1.5
95.08568	0.8
96.08105	3.5
97.02869	0.7
103.05416	0.9
104.34571	0.7
107.04939	5.1
108.08115	8.2
109.06448	0.7
110.09710	3.4
120.04447	1.9
120.08082	4.1
121.10158	0.9
122.06052	1.5
124.07570	3.2
127.03951	1.0
131.08553	0.9
133.08623	5.5
136.07571	8.2
138.05507	0.8
138.09137	7.3
144.21399	0.6
146.05988	1.1
148.07567	2.2
152.07077	1.6
155.09848	1.0
166.08640	8.3
174.09164	1.2
177.11221	2.9
202.07404	1.2
203.08186	2.3
204.10245	1.5
211.08798	1.2
213.10214	3.1
223.08685	1.1
224.09383	0.9
225.10216	3.7
226.10872	1.2
227.11716	1.4
237.10143	4.6
238.11058	1.6
239.08153	6.5
239.11736	1.5
241.09703	12.6
243.11203	1.0
249.10175	0.9
250.07559	0.9
251.08076	8.5
252.08905	1.6
253.09717	22.7
254.10471	1.8
255.11343	3.0
257.09207	0.9
265.09708	33.3
266.10471	8.8
267.11261	15.5
268.12131	1.4
269.08813	4.9
277.09863	1.3
278.10538	1.0
281.09402	3.2
282.09958	1.3
283.10785	5.0
287.11453	0.8
293.09171	25.1
295.10736	15.9
299.10269	1.2
311.10187	13.0
312.11188	0.9
313.11874	2.8
314.13062	0.8
316.14261	0.9
330.12323	2.2
331.13327	1.2
343.13174	1.8
344.13916	2.4
346.15469	1.9
357.14761	1.1
358.15564	3.0
360.17157	0.8
361.14447	1.0
368.13925	0.9
372.13397	2.4
372.17368	1.6
374.14618	1.4
376.16501	6.5
378.18176	3.5
386.15033	5.5
388.16504	2.4
389.17398	1.0
400.16574	3.6
404.16019	20.3
406.17624	13.5
416.16290	0.7
418.17651	7.5
419.18393	1.9
420.19257	1.6
422.17374	1.0
428.16061	1.9
430.17743	1.7
432.15421	1.0
435.17941	0.9
436.18765	5.6
446.17102	15.5
447.13239	0.8
447.18048	7.9
448.18643	46.4
450.16766	1.9
464.18149	100.0
465.18689	6.0
466.19647	12.1
518.17273	0.7
525.21185	2.2
557.23840	2.1
567.22485	5.9
585.23309	14.9
603.24469	9.2
618.80017	0.8
621.25250	6.4
621.33948	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.8
55.05484	1.0
56.04998	1.5
57.03401	1.4
57.47540	0.4
60.05571	0.4
60.49713	0.5
61.02925	4.1
63.65329	0.4
67.05456	1.1
68.04986	1.1
69.03427	2.9
70.06547	1.9
71.01311	0.7
71.59620	0.6
73.02927	3.3
79.05440	1.5
80.04976	1.6
81.03415	4.6
81.04543	3.0
81.07022	0.8
82.05282	1.1
83.04957	0.6
83.06096	13.3
83.08583	0.8
84.04469	0.5
84.08121	0.8
85.02895	5.0
86.09653	0.9
88.07559	1.2
88.87939	0.5
91.03899	2.0
91.05427	1.4
92.20947	0.5
93.04527	6.0
93.06989	1.2
94.06520	0.7
95.04935	1.2
95.06085	14.2
95.08566	0.7
97.02895	2.8
99.04427	0.5
101.02327	1.3
105.06978	1.1
106.06519	0.6
107.04961	5.5
107.06054	4.1
108.05556	0.5
109.02791	0.7
109.06372	1.0
109.07581	0.6
110.07158	49.4
111.05553	5.0
112.08675	1.5
113.07077	0.6
116.98552	0.7
119.05994	1.4
119.08533	1.1
120.05542	1.3
120.08094	0.5
121.07639	3.0
121.10123	0.5
122.07148	1.0
122.08344	0.5
123.08073	0.5
123.09127	0.9
127.03906	0.9
129.06995	0.6
131.06047	2.4
131.08594	0.9
133.06526	0.5
133.07585	2.6
135.09111	0.8
136.08682	0.6
143.05571	1.0
145.07565	0.6
147.04318	0.8
147.11627	0.6
148.08655	2.4
149.07062	0.8
149.09421	0.8
150.10228	0.6
152.05626	1.3
156.06541	0.7
156.07681	9.2
157.10074	0.9
158.97250	0.5
159.09145	0.7
166.05981	0.7
193.12180	2.2
229.16809	0.6
234.98915	1.5
237.02859	0.7
247.18045	0.9
256.17914	0.6
257.16489	1.8
274.19217	0.6
275.17532	5.8
284.17551	1.3
285.15927	2.1
293.18533	0.9
302.18506	3.3
303.16934	1.3
304.20410	0.9
305.18323	0.7
311.19485	0.7
320.19617	2.9
321.18109	1.6
338.20703	3.9
348.18939	0.7
349.21280	1.4
367.22284	18.6
376.22357	1.1
377.20786	2.6
378.23633	0.6
379.03168	1.0
379.22153	0.6
380.03506	1.5
390.36221	0.5
394.23346	6.1
395.21616	5.3
397.23209	2.1
412.24396	22.3
413.23138	1.1
414.25934	1.8
422.22702	0.8
440.23886	8.1
456.27130	1.6
458.24942	77.7
459.25320	1.3
529.27539	0.7
540.29327	1.0
574.30493	0.6
576.31152	0.6
577.60974	0.6
598.81696	0.5
602.29132	8.1
620.30170	100.0
621.30353	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
54.87798	0.2
55.01875	0.5
55.05507	0.8
56.05037	0.3
56.96562	0.7
57.03429	0.7
57.07073	0.9
60.04496	0.3
61.02917	0.7
67.05507	1.0
69.03429	1.6
69.07066	0.8
70.04073	100.0
70.06586	2.4
71.01347	0.4
71.04433	0.2
71.05003	0.5
71.59910	0.3
72.08147	0.4
76.02219	0.4
79.05490	1.0
81.03419	1.7
81.07065	1.0
83.04994	0.3
83.08609	0.5
84.04494	0.4
84.08155	0.8
85.02415	0.5
85.02906	5.5
86.09708	1.0
91.03983	0.4
91.05473	0.8
93.07040	0.7
95.04967	1.1
95.06075	0.2
95.08604	0.6
97.02885	3.3
98.06085	0.2
99.04452	1.1
99.08080	4.1
100.90852	0.2
103.05466	0.4
105.07048	0.6
107.04964	2.6
107.08598	0.5
109.02876	3.0
109.10162	0.5
110.07227	0.3
113.20531	0.2
117.09115	1.5
119.04978	0.3
119.08567	0.4
120.08127	0.6
121.10154	0.3
123.04449	0.8
127.03918	4.5
130.06558	0.3
133.05029	0.4
133.10144	0.3
136.07611	1.2
145.04971	1.9
145.10120	0.3
159.10207	0.8
163.06084	0.4
164.07118	0.4
165.07541	0.3
165.20792	0.2
183.10132	1.1
195.10159	11.1
225.11220	5.3
225.13307	0.3
227.08426	1.0
231.09055	0.5
232.09271	0.4
243.12306	1.7
255.59338	0.3
259.76285	0.2
261.13321	0.6
265.05292	0.3
269.10608	2.2
270.09674	0.3
273.16010	0.6
285.10291	0.3
287.11725	1.2
311.10223	0.4
329.11371	0.8
330.11746	1.0
429.12296	0.8
439.20779	0.3
446.09515	0.4
447.13559	1.4
468.17688	0.3
470.15732	0.3
496.27533	0.3
610.28809	0.3
620.34229	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.2
55.01874	0.4
55.05501	0.5
57.03432	0.8
57.07064	1.3
59.99117	0.1
61.02919	1.0
65.79244	0.1
67.05531	0.1
69.03421	2.6
69.07054	0.6
70.04072	100.0
70.14316	0.4
71.01345	0.3
71.03780	0.1
71.04393	0.1
71.04987	0.3
71.08631	0.1
73.02911	0.5
79.05495	0.1
81.03414	2.0
81.07055	0.3
83.01334	0.2
83.05002	0.2
83.08626	0.4
85.02898	9.3
87.04482	0.2
91.03954	0.4
91.05447	0.2
92.35020	0.1
93.07050	0.1
95.04973	0.2
95.08595	0.2
97.02885	7.1
99.04440	1.0
99.08086	4.6
101.02362	0.1
103.03909	0.2
107.04949	0.4
107.08586	0.2
109.02870	1.6
109.10201	0.1
113.09649	0.1
115.03934	0.3
117.09134	0.8
121.06518	0.1
123.04447	0.2
123.08041	0.1
124.07544	0.1
125.02354	0.2
127.03910	3.3
133.04942	0.6
135.11690	0.1
137.09709	0.1
141.01064	0.1
145.04955	2.3
148.07558	0.1
159.10136	0.1
163.06020	0.4
165.09151	0.1
173.04584	0.1
178.04955	0.3
179.05432	0.3
183.10149	1.4
195.10152	23.1
196.06052	0.1
196.10591	0.2
209.07275	0.4
225.11201	8.9
227.08336	1.6
232.09305	0.2
241.07095	0.5
242.28030	0.1
243.12279	1.9
261.13364	0.4
269.10327	0.1
296.11551	0.7
314.41940	0.1
331.12582	0.2
332.13251	0.1
394.14340	0.1
445.65039	0.1
448.18524	0.1
449.18921	0.3
464.18079	0.1
465.18027	0.2
602.36743	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	620.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03420	0.6
55.01858	0.7
55.05510	2.0
56.05027	1.2
57.03438	6.0
61.02900	0.9
61.67344	0.5
61.99749	0.6
67.05491	1.2
69.03428	1.7
69.07062	1.5
69.99257	2.3
69.99668	1.2
70.04076	100.0
70.06588	11.2
71.04991	39.7
72.08154	3.2
73.02907	0.9
74.06064	1.1
74.81223	0.6
74.95464	0.6
75.04484	2.0
79.05492	1.1
81.07074	1.3
83.04960	3.0
84.04513	1.8
84.08135	3.6
85.02902	47.0
86.09710	6.8
87.04485	1.4
87.05640	0.7
93.07035	0.9
97.02890	1.8
97.06535	2.8
98.20812	0.9
99.04487	0.6
99.08057	1.4
102.05536	1.2
104.10774	1.0
105.46742	0.6
107.04975	1.6
110.07158	1.7
111.04449	2.8
115.07572	3.8
118.21979	0.6
120.08125	2.1
127.03905	1.2
129.05478	20.2
129.10269	2.1
136.07619	1.1
145.04973	1.4
147.06526	10.0
159.09256	0.7
184.07428	1.0
207.71852	0.7
216.09792	16.0
224.19841	0.7
232.09323	1.7
243.12495	0.8
261.13297	1.3
378.14816	0.9
442.06702	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03903	1.5
55.01831	1.5
56.05002	0.3
57.03437	1.6
61.02872	1.3
65.29171	0.4
66.33783	0.3
68.04993	0.4
68.80981	0.3
68.99741	1.2
69.03427	8.5
70.06585	4.4
70.73600	1.0
71.04960	0.7
71.06894	0.3
72.08112	0.5
73.02917	1.8
81.03411	10.1
84.04467	0.8
84.08099	1.5
84.14032	0.4
85.02901	9.1
86.06033	0.5
86.09660	1.0
87.00827	5.7
87.04411	0.3
89.05354	0.3
91.03912	0.5
91.05429	1.2
95.04903	1.0
97.02890	4.9
99.04449	2.8
102.05465	0.4
105.01878	2.8
107.04297	0.4
107.04954	5.4
109.02872	6.0
110.07106	0.5
115.05418	0.5
117.01849	0.8
120.08044	0.6
121.02803	0.9
121.06439	0.9
127.03917	9.3
129.01779	0.9
129.10194	0.6
130.04886	0.5
137.01364	0.5
137.02339	8.0
137.03377	0.6
141.01796	0.4
145.04976	2.1
147.04326	0.5
149.02277	0.7
159.02898	3.4
161.05968	0.9
163.03886	1.1
168.90302	0.3
171.04370	1.0
175.03850	0.4
177.05438	0.6
179.63689	0.4
187.03830	1.1
187.06013	0.3
189.05424	1.0
194.73624	0.4
199.03836	0.5
205.04982	1.8
207.02936	0.4
213.01682	0.4
213.03654	0.4
213.05484	0.4
217.04915	1.1
231.04974	0.9
235.07652	0.4
239.81670	0.4
253.08528	1.0
271.06036	0.5
281.08133	1.1
285.07446	0.4
294.05231	0.6
299.05490	3.1
299.08759	0.7
303.04941	1.3
308.06689	0.5
309.07672	1.6
311.05539	1.8
312.06339	0.4
313.07056	1.2
315.04956	12.6
323.05441	0.6
325.07123	0.8
326.04211	0.7
327.04816	0.9
327.08539	4.9
329.06473	4.3
336.08783	0.5
337.07056	6.1
338.07187	0.4
339.05017	1.2
340.05713	3.3
343.08148	4.5
354.09741	12.2
355.08096	86.8
356.08414	1.8
372.10751	100.0
373.11118	2.5
376.18570	0.4
414.11792	0.5
522.14020	0.5
540.15338	0.8
558.16010	1.2
576.16846	2.2
602.15015	0.7
620.16028	13.5
621.16309	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.6
55.01871	4.1
55.05268	3.5
55.05510	50.6
57.03423	8.3
57.07055	12.7
61.02911	12.2
67.05497	23.6
69.03082	4.4
69.03431	40.7
69.07063	53.9
69.28789	30.1
71.04983	9.0
71.08611	11.3
73.02922	8.7
79.05486	22.0
81.03412	12.8
81.07059	46.0
83.08622	52.8
85.02903	71.5
85.10185	6.1
85.14403	2.4
87.04462	9.1
91.05471	32.0
93.07043	42.9
95.04960	6.9
95.08607	47.2
97.02882	27.4
97.06499	5.3
97.10162	27.0
98.21532	5.6
99.04435	6.1
105.07024	29.1
107.04961	4.6
107.08587	39.2
109.02880	7.2
109.06498	7.8
109.10152	26.6
111.08035	4.3
117.07007	7.8
119.04910	3.7
119.08582	23.9
121.06479	16.6
121.10133	33.6
123.08086	6.9
123.11707	14.6
125.09599	3.5
127.03914	13.2
128.06277	4.0
129.06940	8.0
131.08580	16.3
133.06500	7.5
133.10149	13.9
135.04388	6.1
135.08028	7.5
135.11728	14.6
137.09605	5.0
137.13277	7.5
143.08542	9.3
145.04996	5.6
145.06453	6.9
145.10149	13.0
146.07323	3.1
147.08031	9.5
147.11687	10.2
149.05951	7.1
149.09505	3.4
149.13242	6.9
151.07587	6.2
155.08524	6.1
157.06451	3.8
157.10121	9.5
159.08066	18.9
159.11661	10.5
161.09625	25.0
163.07558	3.5
163.14809	4.0
165.05522	3.3
165.16365	3.5
169.06686	3.0
169.08536	3.7
169.10065	5.9
171.08083	9.3
171.11668	6.5
173.09616	10.8
173.13208	2.9
175.07559	6.2
175.11174	5.4
175.14859	5.2
177.16399	19.1
179.08513	4.8
181.10101	5.8
183.11681	8.1
185.09618	10.7
185.13271	7.1
187.07547	22.3
187.11179	12.3
187.14850	3.6
189.09085	21.7
189.16449	3.5
191.10658	4.1
193.10124	4.1
195.11684	8.8
197.09647	5.4
197.13208	6.5
198.10384	3.9
199.11134	11.9
199.14934	3.3
201.12775	9.2
205.08604	49.1
207.10074	16.6
209.13261	6.0
211.11177	12.8
211.14815	6.0
213.12715	11.0
215.10747	4.0
215.14316	8.1
219.21262	4.5
221.13197	3.7
223.14775	4.8
225.12650	4.9
227.14333	10.2
229.12259	10.2
233.15244	4.2
237.12599	3.5
239.14313	4.3
241.15894	4.5
243.13831	5.1
244.26277	7.4
245.15370	8.7
253.15732	3.7
255.13852	5.2
257.15335	9.0
257.18097	2.7
261.14935	3.5
265.15808	7.8
273.14795	6.4
275.16122	3.4
277.19440	4.1
283.16925	6.9
285.18588	3.4
291.15997	8.6
301.18021	6.0
307.20496	3.3
313.21408	2.9
319.20425	3.7
325.21548	8.1
327.23380	2.8
337.21542	11.2
355.22595	12.5
367.14059	3.7
385.28766	4.6
393.31012	3.3
395.20731	3.9
403.29895	14.7
419.20120	3.1
421.31003	21.0
423.20032	4.5
425.21744	8.6
437.21774	5.9
439.32040	45.1
457.33075	22.6
463.23108	15.6
487.26834	12.1
499.26688	9.2
505.27765	6.5
517.28101	31.1
573.37915	7.0
583.36517	8.0
601.37341	100.0
619.38489	90.0
620.38446	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	619.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.0
55.01873	6.4
55.05514	44.3
55.05759	5.8
56.59974	2.9
57.03439	12.6
57.07063	11.0
59.24529	2.2
61.02918	8.9
67.05505	27.2
69.03426	40.4
69.07070	40.4
71.04985	3.6
71.08634	6.6
71.59280	2.3
71.59696	4.0
73.02911	6.3
79.05488	20.4
81.03413	12.4
81.07061	40.2
83.04958	5.2
83.08620	31.5
85.02906	100.0
85.06526	3.0
85.10194	7.3
86.09693	6.0
87.04467	8.1
91.03923	3.3
91.05482	31.9
93.07044	52.7
95.04968	10.8
95.08605	46.2
97.02883	28.3
97.06534	13.8
97.10173	35.2
98.24494	2.3
99.04451	8.1
103.05467	2.9
104.10752	3.0
105.07017	32.1
107.04971	7.5
107.08593	38.5
109.02930	14.2
109.06522	10.5
109.10155	28.8
111.08103	8.9
111.11710	2.9
115.05455	4.7
117.07048	7.5
119.04927	12.3
119.08589	26.2
121.06514	16.9
121.10149	36.0
123.08070	10.9
123.11714	6.6
125.09621	3.2
127.03918	26.5
128.06221	3.9
129.07036	4.9
131.08568	13.1
133.06494	4.4
133.10156	17.5
135.04443	14.7
135.08090	10.3
135.11703	14.2
137.09604	6.2
137.13330	3.3
141.07050	2.5
142.07878	2.6
143.08554	15.5
145.04976	13.8
145.06461	7.6
145.10130	14.2
147.08067	10.2
147.11722	7.0
149.09630	3.7
149.13293	8.3
151.07550	13.4
151.14818	5.7
154.07819	3.2
155.08591	7.3
156.09364	3.2
157.10127	16.8
159.08061	13.8
159.11729	9.3
161.05980	2.9
161.09633	22.2
161.13356	2.6
163.11217	4.8
169.08646	10.2
169.10117	7.0
171.08043	16.8
171.11725	10.3
173.09674	12.1
173.13261	5.0
175.11189	5.6
175.14864	6.1
177.16418	18.1
181.10072	5.6
183.11736	8.9
185.09608	13.1
185.13252	10.5
187.07567	3.8
187.11162	6.6
187.14893	5.9
189.09067	12.7
191.10698	4.4
195.17461	3.8
197.09698	3.8
197.13286	4.4
199.11198	8.0
199.14874	4.4
201.12820	12.6
203.14383	4.9
205.08577	4.4
207.10191	10.8
209.13420	13.1
211.11205	5.1
211.14891	9.3
213.12781	10.2
215.14343	11.7
217.15996	2.7
219.13785	3.1
221.13438	3.8
223.14751	3.3
225.11098	7.2
225.12935	5.6
227.14287	32.8
229.12228	4.9
229.15895	15.1
231.13791	6.5
233.13293	3.3
233.15399	3.9
235.14801	5.4
237.16682	2.6
239.14406	4.7
239.18176	3.3
241.15904	3.2
243.13873	9.8
245.15343	20.3
249.12650	2.9
253.15895	3.8
260.01593	2.9
261.14847	4.6
263.16394	5.2
265.15921	3.7
267.17709	3.0
269.18954	5.0
273.14975	3.0
281.15414	3.7
281.19006	5.2
293.18994	5.2
295.20547	2.7
299.16388	2.8
299.20099	2.7
305.19031	2.9
307.20584	6.2
309.22128	3.6
313.21396	3.2
317.17474	7.3
319.20782	5.9
321.22076	3.1
325.21628	17.6
337.21573	28.8
339.23071	5.1
343.22623	17.1
351.23410	3.7
355.22644	31.1
357.24423	3.7
369.24115	3.9
395.20749	5.8
403.29868	16.6
421.30936	33.2
423.20386	6.2
425.21548	14.8
439.32065	57.3
455.69421	2.6
457.33273	12.0
505.27945	44.2
517.27850	30.3
541.29944	4.2
583.35938	4.7
601.37256	62.2
619.38361	86.4
622.47382	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.2
54.74563	1.6
55.05509	13.8
57.03429	5.3
57.07072	7.7
58.99579	1.5
59.04993	5.2
61.02916	5.1
67.05505	19.6
69.03429	20.2
69.07069	16.3
69.49863	12.5
70.06576	4.3
71.04987	6.2
71.08633	2.1
73.02917	4.8
76.02234	4.2
79.05492	12.1
81.03410	9.0
81.07059	38.3
82.28475	1.6
83.04973	1.8
83.08627	7.9
84.04536	3.3
84.08154	2.3
85.02909	53.3
85.03425	2.8
86.09713	4.9
87.04440	3.2
91.03957	3.0
91.05484	10.8
93.07045	21.5
94.82524	1.5
95.04974	5.0
95.08607	49.8
97.02883	16.4
97.06540	2.1
97.10177	5.1
99.04453	4.6
105.07022	16.7
107.04970	5.8
107.08592	24.5
109.02882	5.9
109.06501	3.1
109.10153	19.3
116.01676	2.3
117.07014	5.1
119.04958	1.8
119.08556	10.4
120.08085	2.8
121.06516	9.3
121.10161	10.2
123.08112	3.2
123.11734	3.6
127.03914	8.6
127.11219	1.5
129.07019	2.3
129.10213	2.0
131.08600	5.0
133.06491	4.7
133.10149	9.0
135.08034	9.3
135.11705	7.0
137.13249	39.0
137.14243	2.6
142.17184	1.6
143.08578	6.2
145.04961	12.1
145.06131	11.9
145.10120	14.3
146.06418	2.8
147.08031	4.3
147.11713	5.1
149.13240	10.3
155.08554	2.4
157.10150	4.4
159.08054	16.0
159.11716	6.0
161.09604	5.0
161.13263	4.1
162.02173	2.2
163.07553	3.2
163.11189	1.7
169.10165	3.7
171.08061	1.7
171.11746	4.8
173.09621	39.3
173.13164	2.5
175.11179	4.2
175.14816	7.5
177.16400	2.5
179.04869	3.4
181.10207	2.4
183.11728	4.9
185.09682	3.1
185.13292	4.9
187.11229	3.8
189.16457	5.2
193.16002	2.7
195.11722	3.3
197.09694	2.4
197.13290	3.1
199.11244	4.5
201.12784	14.1
203.17888	2.1
207.11739	3.4
209.13260	3.0
211.11211	2.9
211.14857	2.5
213.12825	3.4
215.14362	6.2
221.13283	1.9
223.14864	2.1
225.12820	4.8
227.14430	4.9
233.15440	5.3
245.15369	7.6
247.16945	4.9
259.17087	2.5
267.17517	5.8
275.16403	4.0
283.16995	2.5
285.18472	35.3
301.21786	1.8
309.22409	2.1
311.20084	4.3
313.21674	2.8
319.20224	1.7
325.21564	2.4
337.21500	7.6
339.22818	1.7
351.23190	2.2
355.22610	1.9
361.45816	1.8
379.26321	2.8
381.27664	13.8
403.30023	4.1
421.31018	30.5
436.05753	1.7
439.32095	37.5
439.38129	2.7
457.33090	3.7
466.96057	1.7
472.25677	3.1
601.37115	4.2
619.38391	100.0
620.38770	2.3
642.97479	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	619.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.0
55.01883	2.8
55.05510	61.4
57.03431	4.7
57.07074	15.3
61.02917	7.9
67.05499	8.4
67.14374	2.4
69.03436	19.7
69.07070	40.7
69.52821	4.4
69.53232	12.0
71.05006	2.7
71.08628	7.8
72.06325	2.4
73.02926	4.9
76.15157	2.2
79.05475	13.2
81.03408	10.5
81.07059	25.2
83.08620	93.3
85.02908	29.7
86.50792	1.9
87.04512	5.1
89.07052	1.9
91.05478	11.6
93.07031	16.9
95.05016	2.3
95.08606	15.7
97.02885	12.4
97.06554	5.1
97.10172	18.9
99.04465	3.5
105.07036	14.0
107.04952	4.1
107.08599	17.5
109.02898	5.9
109.06548	4.1
109.10132	11.1
111.11666	2.2
117.07037	2.6
119.08577	13.8
121.06532	14.8
121.10149	11.7
123.08035	5.6
127.03915	7.8
129.07022	2.6
131.08549	5.3
133.06514	2.9
133.10126	14.2
135.08040	14.3
135.11702	4.8
137.13287	3.7
139.14761	1.9
141.07010	3.1
143.08565	7.9
145.00081	2.0
145.04944	3.0
145.06490	5.1
145.10126	12.7
147.08031	9.8
147.11705	4.8
149.09647	3.1
149.13261	3.8
157.06601	2.7
157.10123	5.0
159.08031	10.5
159.11714	5.7
160.71313	2.0
161.09657	5.1
163.11186	3.2
169.10147	4.4
171.08055	4.5
171.11589	2.7
173.09615	12.7
173.13196	5.3
175.11292	2.1
175.14830	16.4
177.16400	6.5
181.10161	3.7
183.11719	5.6
185.09689	3.5
185.13269	4.4
187.11179	6.5
189.09116	18.2
193.15944	6.3
195.11685	3.8
197.13200	4.0
199.11273	7.9
201.12711	23.3
207.11720	3.4
209.13254	3.1
211.11101	3.5
211.14900	2.9
213.12811	4.3
215.14281	12.4
219.13809	8.9
223.11366	2.2
223.14746	2.9
225.12762	4.0
227.14354	4.8
229.15942	4.6
233.15411	9.4
237.16319	5.1
239.14313	2.7
241.15898	6.4
245.15538	2.4
247.17000	7.9
255.13794	7.3
255.17419	4.9
259.16849	4.5
265.15915	10.9
267.17511	4.1
273.15036	7.3
273.18439	2.7
281.15436	3.1
283.17010	22.1
285.18466	6.6
295.20575	9.4
301.17899	13.4
309.22214	3.5
323.20047	3.9
337.21478	3.7
355.22589	2.3
403.30191	3.9
409.22113	3.5
421.22321	8.7
421.30966	22.8
435.19669	4.1
439.32196	13.8
463.16696	5.4
463.23257	100.0
479.75226	2.7
499.26953	2.4
503.26532	3.5
517.28253	10.7
573.37640	3.5
583.36346	15.3
601.37238	41.8
619.38348	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	619.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.7
53.03939	0.9
55.01851	0.6
55.93529	0.6
56.94312	0.5
64.76566	0.5
69.03448	0.7
70.06584	1.9
70.95852	0.9
71.33168	1.2
71.93007	0.6
72.08154	0.8
72.93788	3.5
79.05486	1.2
81.03423	0.8
84.08133	1.4
85.02901	1.3
86.09686	0.6
90.94812	2.5
95.04995	2.7
97.02906	0.7
98.97561	0.6
102.94830	0.6
107.04951	100.0
108.05280	3.2
108.95834	1.5
111.82090	0.5
114.94784	0.7
114.98438	0.9
116.96324	0.9
126.05448	0.5
126.94858	0.6
128.96295	0.5
132.95830	10.2
134.97375	0.9
140.96370	0.9
144.95824	2.4
145.29210	0.5
146.97415	1.1
149.96095	0.9
150.96890	7.0
156.95819	0.8
158.97391	9.9
160.98953	2.0
162.96930	3.5
162.98241	0.7
166.97922	0.6
168.95831	2.1
170.97372	1.1
174.96887	18.5
176.98459	7.3
177.00775	0.9
178.97905	1.3
179.00009	0.9
180.99507	1.1
184.98978	1.2
186.96860	4.6
187.00533	0.9
188.98459	1.0
190.96378	0.8
192.97926	1.5
196.99025	1.1
198.96909	2.0
203.00012	3.4
203.05278	0.7
204.97894	1.9
205.01689	0.9
212.98349	0.8
215.00017	1.8
216.97894	9.6
217.01636	0.6
220.98941	1.3
225.90790	0.6
226.96379	0.8
227.00079	0.6
229.01553	1.0
230.99341	1.1
232.99316	0.8
233.98206	0.6
234.98988	97.2
235.99246	1.6
239.00041	3.7
247.02736	0.7
249.00487	1.2
253.00056	22.9
258.00610	3.8
267.70984	0.5
273.00690	0.6
275.02158	5.6
275.99237	0.7
276.99951	2.2
281.00980	0.7
289.00278	0.7
289.97354	1.2
290.97656	0.6
291.01437	1.7
292.99524	31.7
305.03189	12.6
307.98380	1.0
308.98563	1.0
319.10074	1.0
323.01508	1.3
323.04669	1.2
333.02640	0.9
337.02118	0.7
351.03720	96.8
369.04691	5.4
379.03088	1.3
392.06372	5.4
397.03979	1.1
439.06506	1.1
457.07785	1.9
457.13181	1.4
522.34229	0.6
533.90704	0.7
619.16998	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	619.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.5
55.05513	1.4
55.93519	2.3
57.03438	1.4
65.03957	1.0
67.05503	3.3
69.03434	4.3
69.07047	1.8
70.06586	4.3
71.04999	2.0
72.08131	1.1
72.93766	1.3
79.05494	3.0
80.04984	0.8
81.03417	7.0
81.07040	3.8
82.06506	0.8
83.04990	0.9
83.08596	1.4
84.04494	2.1
84.08125	1.6
85.02901	2.0
86.06065	3.1
86.09698	1.6
87.04465	2.3
90.94824	1.4
91.05477	2.0
93.07030	2.5
94.06553	1.0
94.15611	0.7
94.29834	0.8
95.04958	2.1
95.08600	2.1
97.02895	3.2
97.06522	1.9
98.06065	3.2
99.04444	1.0
104.07146	1.7
105.07037	1.4
107.04951	4.0
107.08598	1.7
108.08089	1.4
109.02870	6.0
109.06517	1.4
109.10087	1.0
110.06113	0.9
111.04404	0.9
112.07601	1.2
117.06984	1.1
120.08126	1.2
121.02859	17.2
121.06547	1.3
121.10126	1.8
124.07601	1.0
127.03915	1.6
129.07033	0.9
131.08560	1.4
132.95834	1.3
133.10144	1.3
136.07477	0.8
137.02367	3.5
138.09120	0.9
148.07588	1.2
149.09625	0.9
150.96886	1.4
158.97440	1.8
167.03339	1.0
171.15002	1.3
176.98456	1.0
186.96805	0.8
193.12334	0.8
199.14473	2.1
199.97620	0.9
204.06593	1.6
210.15059	0.8
225.10184	1.3
230.79370	1.0
234.98999	2.4
243.98395	1.1
252.15968	0.8
253.96434	0.8
255.06567	1.7
267.15869	1.4
270.34103	0.7
271.97678	1.1
274.04813	1.4
283.06039	0.9
285.95627	1.3
287.00009	1.3
287.05432	0.8
299.97168	1.1
300.97885	0.9
301.98096	0.7
303.96594	1.2
313.98602	1.0
314.99362	5.2
315.96640	1.2
316.00031	0.9
317.06552	13.2
317.98325	1.0
324.63840	0.8
324.98007	1.4
327.96524	1.1
328.97638	1.9
329.94534	3.9
330.98862	4.1
331.99530	1.6
333.00452	2.9
333.97784	1.8
337.17606	1.3
342.98938	7.9
344.96896	3.0
345.97534	2.6
346.98318	1.7
347.99149	1.1
349.00027	3.2
356.96817	2.4
358.98538	6.5
359.95618	3.1
359.99332	2.1
360.99741	4.9
362.00543	1.2
362.97900	1.5
363.98386	1.3
368.85498	0.8
369.97696	1.0
370.98361	11.7
371.99017	1.8
373.97214	5.6
374.97446	4.8
376.99521	10.7
377.99927	1.8
382.00552	0.8
386.97888	7.6
387.98700	3.2
388.99512	100.0
389.99881	9.7
391.00363	1.0
391.98318	1.2
400.99194	1.3
401.96695	11.1
402.97372	59.3
403.97815	7.8
404.98773	6.0
405.99817	14.9
407.00516	85.1
408.00821	7.4
409.00757	1.0
412.01163	10.8
413.00949	0.9
428.98819	1.1
429.99667	7.1
431.00500	34.9
432.01028	1.8
441.99796	3.2
443.00558	11.9
448.00870	3.2
448.18579	1.1
449.01462	5.0
455.00485	13.3
457.01770	2.4
461.01593	2.0
466.20035	1.1
467.00562	15.4
469.02112	2.2
471.02002	1.1
472.02557	2.3
473.01343	7.1
479.00461	3.7
485.01682	7.8
491.00656	1.2
495.03668	1.3
497.01505	12.6
503.02380	2.6
509.01865	2.0
515.02637	13.6
521.01489	0.9
527.02698	2.3
529.00763	1.1
533.03748	29.9
539.02631	3.3
556.34686	1.6
557.04004	1.1
564.35468	1.3
565.00977	1.4
575.04443	1.9
582.36304	5.1
583.36835	1.4
600.37451	2.1
619.26978	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	618.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.9
55.01883	9.6
55.05269	2.4
55.05511	33.8
55.93521	2.3
56.96549	2.6
57.03424	7.5
57.07071	2.1
58.99571	6.6
61.02919	2.3
65.03908	1.8
67.01422	1.9
67.05171	2.2
67.05502	34.5
69.03413	7.3
69.07061	12.8
70.06595	8.6
71.04990	3.8
71.08611	1.8
71.59758	2.4
72.08114	2.5
73.02916	3.1
76.02223	34.7
76.04001	1.8
79.05494	25.8
81.03413	47.0
81.06633	2.7
81.07059	30.9
81.77351	1.7
82.55420	1.8
83.04981	25.2
83.08614	28.6
83.41898	1.6
84.04498	8.1
84.08137	3.5
84.23623	1.7
85.02879	6.7
85.06544	3.0
86.09680	3.5
86.99028	1.8
87.04479	2.5
91.05483	24.7
92.05800	1.8
93.07053	26.1
95.04966	40.1
95.06078	2.1
95.08607	17.4
97.02868	5.6
97.06522	6.8
97.10171	12.0
99.04439	2.3
99.08081	4.2
105.07034	14.7
107.04945	29.4
107.08578	15.8
108.08161	2.7
109.06486	4.3
109.10159	16.3
111.04447	14.5
111.08080	12.9
116.01661	7.3
117.06998	6.1
119.08573	16.0
120.08060	2.3
121.06493	7.0
121.10149	10.1
123.08052	3.4
123.11735	2.1
125.09620	7.7
127.03846	2.2
129.06982	7.3
130.04985	5.3
131.08577	9.3
133.10109	7.2
134.09698	2.0
135.08047	4.6
135.11667	10.0
137.09647	2.9
139.11156	11.4
141.06918	2.2
142.03244	4.4
142.07704	1.8
144.01135	5.3
145.06071	3.3
145.10138	8.6
147.08008	2.3
147.11707	10.2
149.09645	14.3
151.07497	4.4
151.11188	4.9
153.12718	6.5
155.10637	3.6
157.10126	8.6
159.11656	3.7
161.13239	2.0
162.01073	2.1
162.02214	16.8
163.11104	12.3
165.12718	6.1
173.09549	2.8
173.11734	12.3
175.11206	10.4
177.12701	2.2
179.04843	38.5
181.12186	8.3
189.11229	6.8
191.10632	5.1
193.10616	2.9
193.12247	37.5
211.13286	89.6
223.13326	11.2
227.12743	8.1
233.05969	9.5
247.20630	4.5
257.19012	3.2
267.06674	1.9
267.16086	2.1
275.20001	15.6
283.06079	2.2
285.07697	2.4
289.01123	2.2
293.21091	100.0
294.21475	2.4
308.05414	2.3
308.09100	41.2
311.22171	29.4
325.12180	3.8
370.21155	2.2
402.23013	2.3
421.09872	2.2
445.09543	3.4
453.24127	3.5
463.10193	2.2
464.18112	2.9
512.28619	11.5
618.33429	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	618.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.01855	2.5
55.05510	8.7
57.07060	1.1
58.99581	6.6
60.00216	0.7
67.05502	9.1
69.03409	2.1
69.07067	3.7
69.49161	5.3
70.04074	9.3
70.06574	2.7
71.04972	1.6
71.08630	3.2
71.08946	0.6
73.60107	0.6
74.00670	1.4
76.02222	38.8
76.03994	1.7
79.05488	9.4
80.04994	1.0
80.51194	0.5
81.03410	8.0
81.07049	9.9
83.04974	3.2
83.06103	0.7
83.08602	6.8
84.04018	1.2
84.04493	11.7
85.02889	4.8
85.04005	1.6
85.06504	0.7
86.09674	0.7
86.99041	1.7
88.02188	0.6
91.05474	5.9
93.07040	7.3
95.04961	57.1
95.08598	5.8
96.05302	0.7
97.02879	2.2
97.06506	1.3
97.10163	2.7
99.04440	2.5
99.08062	3.1
103.03941	3.2
105.07013	7.4
107.04929	7.1
107.08582	6.1
109.02869	1.4
109.06499	4.2
109.10148	3.0
111.04431	0.7
111.08071	2.7
116.01668	9.8
117.07025	2.7
119.08570	5.3
120.08138	0.8
121.06519	3.8
121.10136	4.4
123.08040	2.8
123.11662	0.9
125.09591	3.3
127.03893	5.6
128.05334	0.7
129.06989	1.1
130.05003	6.9
131.08594	3.9
133.06480	0.8
133.10110	2.8
135.08012	2.4
135.11694	3.2
137.09622	2.1
139.11176	0.7
142.03206	4.8
143.08542	1.1
143.11656	0.6
144.01146	7.1
145.04919	4.0
145.06117	1.8
145.10124	5.5
147.08029	2.1
147.11664	2.3
149.09616	8.2
151.11159	2.8
153.01788	0.6
153.09271	0.6
157.10129	1.4
159.11703	2.5
161.09608	1.4
162.02185	19.2
163.05997	2.4
163.11166	14.5
165.12775	2.1
169.10054	1.0
170.02660	1.7
173.11774	0.6
173.13248	0.9
175.11125	1.7
177.03271	2.5
177.12796	3.2
179.04836	44.7
183.11531	0.6
185.03870	1.0
187.05333	1.3
187.11015	2.8
189.11165	1.4
193.12218	2.9
205.12244	2.8
211.13293	4.6
215.04817	1.3
223.13249	13.8
231.04327	1.9
233.05865	9.8
237.14789	0.9
245.05972	2.4
256.13669	3.1
257.19183	1.4
275.20047	10.7
290.08127	1.2
291.06384	1.5
291.19727	0.6
293.21082	100.0
294.21323	1.7
308.09073	43.4
309.09061	0.8
309.20517	0.8
311.22223	0.9
355.15289	2.1
368.22348	0.6
386.23535	2.1
396.21930	0.7
405.99716	1.2
471.25458	3.6
489.26160	2.9
495.41019	0.6
524.34204	0.7
543.27405	1.7
618.30328	2.6
641.44971	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.9
55.01883	9.6
55.05269	2.4
55.05511	33.8
55.93521	2.3
56.96549	2.6
57.03424	7.5
57.07071	2.1
58.99571	6.6
61.02919	2.3
65.03908	1.8
67.01422	1.9
67.05171	2.2
67.05502	34.5
69.03413	7.3
69.07061	12.8
70.06595	8.6
71.04990	3.8
71.08611	1.8
71.59758	2.4
72.08114	2.5
73.02916	3.1
76.02223	34.7
76.04001	1.8
79.05494	25.8
81.03413	47.0
81.06633	2.7
81.07059	30.9
81.77351	1.7
82.55420	1.8
83.04981	25.2
83.08614	28.6
83.41898	1.6
84.04498	8.1
84.08137	3.5
84.23623	1.7
85.02879	6.7
85.06544	3.0
86.09680	3.5
86.99028	1.8
87.04479	2.5
91.05483	24.7
92.05800	1.8
93.07053	26.1
95.04966	40.1
95.06078	2.1
95.08607	17.4
97.02868	5.6
97.06522	6.8
97.10171	12.0
99.04439	2.3
99.08081	4.2
105.07034	14.7
107.04945	29.4
107.08578	15.8
108.08161	2.7
109.06486	4.3
109.10159	16.3
111.04447	14.5
111.08080	12.9
116.01661	7.3
117.06998	6.1
119.08573	16.0
120.08060	2.3
121.06493	7.0
121.10149	10.1
123.08052	3.4
123.11735	2.1
125.09620	7.7
127.03846	2.2
129.06982	7.3
130.04985	5.3
131.08577	9.3
133.10109	7.2
134.09698	2.0
135.08047	4.6
135.11667	10.0
137.09647	2.9
139.11156	11.4
141.06918	2.2
142.03244	4.4
142.07704	1.8
144.01135	5.3
145.06071	3.3
145.10138	8.6
147.08008	2.3
147.11707	10.2
149.09645	14.3
151.07497	4.4
151.11188	4.9
153.12718	6.5
155.10637	3.6
157.10126	8.6
159.11656	3.7
161.13239	2.0
162.01073	2.1
162.02214	16.8
163.11104	12.3
165.12718	6.1
173.09549	2.8
173.11734	12.3
175.11206	10.4
177.12701	2.2
179.04843	38.5
181.12186	8.3
189.11229	6.8
191.10632	5.1
193.10616	2.9
193.12247	37.5
211.13286	89.6
223.13326	11.2
227.12743	8.1
233.05969	9.5
247.20630	4.5
257.19012	3.2
267.06674	1.9
267.16086	2.1
275.20001	15.6
283.06079	2.2
285.07697	2.4
289.01123	2.2
293.21091	100.0
294.21475	2.4
308.05414	2.3
308.09100	41.2
311.22171	29.4
325.12180	3.8
370.21155	2.2
402.23013	2.3
421.09872	2.2
445.09543	3.4
453.24127	3.5
463.10193	2.2
464.18112	2.9
512.28619	11.5
618.33429	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	617.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.9
55.05503	1.8
56.33696	0.8
57.07068	22.9
59.05001	1.3
59.84436	0.8
60.86600	0.8
67.05493	1.9
69.03407	1.1
69.07066	5.2
69.44436	0.9
70.63136	1.8
71.08625	42.3
73.02890	1.3
73.06541	2.6
77.00488	0.8
79.05470	2.4
81.07024	2.3
82.05824	0.7
83.08602	1.4
85.10172	20.7
87.04459	19.8
89.06022	100.0
91.05469	16.0
93.07031	10.2
95.04420	0.7
95.04951	4.5
95.08615	1.2
95.75471	0.8
97.06506	0.8
103.05444	3.3
105.07013	16.3
106.07350	0.8
106.93267	0.9
107.04954	5.9
107.07066	3.4
107.08592	5.3
109.10154	1.7
117.07014	3.9
118.06661	0.9
119.04954	3.9
119.08566	7.5
121.06493	27.5
121.10130	3.3
123.08044	2.0
125.06050	0.8
127.14899	0.8
128.06174	0.8
128.74350	0.7
129.06990	1.3
129.60341	0.8
130.08627	2.2
131.07047	5.1
131.08545	3.4
133.08588	55.7
133.10170	1.9
135.08041	9.3
135.11668	2.9
145.10115	2.4
147.08011	11.9
147.11653	1.1
149.09619	9.8
149.13261	1.5
150.06734	3.2
151.07504	1.8
157.10130	1.2
159.11635	1.9
161.09564	1.5
161.13269	0.8
163.11151	6.8
165.09105	10.1
167.10652	2.9
171.11659	0.9
173.09608	1.7
175.09666	1.8
175.11084	1.1
177.11224	13.1
177.12672	1.5
178.19582	0.8
183.11665	0.8
185.13226	0.8
191.10649	1.8
193.12326	2.4
203.14368	1.1
207.13768	1.6
209.11601	4.0
211.13214	1.7
220.22514	0.8
221.13557	1.3
221.15399	2.4
235.13318	1.1
243.15169	0.8
247.20555	16.6
273.22226	1.7
289.25266	1.2
291.23160	27.1
317.24576	1.0
335.25699	2.5
335.76035	0.9
412.63394	0.9
427.58243	0.8
505.77472	0.8
617.42340	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	617.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.05514	5.9
57.03443	4.4
57.07055	0.7
64.50012	0.6
65.03928	1.1
67.05505	23.0
69.07075	4.9
70.06579	0.7
71.59769	1.1
72.07233	0.6
74.80287	0.7
79.05494	11.2
81.03394	0.6
81.07061	19.4
83.04989	1.0
83.08603	1.1
88.07628	0.6
88.52314	0.6
90.26917	0.8
91.05482	6.0
91.44799	0.6
93.07045	11.2
95.04961	1.8
95.08611	13.4
97.10171	0.6
99.08068	0.7
105.07014	3.8
107.08588	5.8
109.06517	0.7
109.10170	5.1
117.07027	0.7
119.08574	2.1
120.96626	1.7
121.10168	3.6
123.08106	0.8
123.11695	1.0
131.08533	2.0
133.10121	1.2
135.11699	2.4
145.10132	0.9
147.11696	0.9
156.97467	1.0
172.53896	0.7
174.98544	6.5
176.99171	1.3
182.99162	0.9
185.04263	0.9
193.04807	0.6
198.98582	1.5
201.00159	1.2
203.05257	6.9
213.00121	5.0
216.99643	1.6
222.98529	0.9
231.01242	1.1
265.00894	5.1
283.01898	100.0
301.01691	3.9
301.20212	1.4
319.21194	0.8
324.04715	1.2
335.25818	25.5
357.04666	2.9
357.24130	0.9
437.20541	2.9
445.99838	0.8
455.20575	2.4
484.13461	0.7
498.14771	2.5
499.15604	3.5
558.16541	4.8
599.25208	1.3
617.17523	7.9
617.26581	17.8
617.35303	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77194	2.8
53.03943	6.3
55.01856	4.4
55.05500	16.8
57.03425	4.7
57.07069	17.9
59.04985	6.8
65.03907	4.0
67.05206	3.2
67.05501	31.1
69.03418	8.1
69.07065	15.8
70.06571	3.1
71.04984	4.5
71.30560	3.3
71.60909	2.5
79.05484	28.5
80.05833	2.6
81.03413	4.0
81.07056	37.4
83.04959	11.1
83.08614	7.8
85.02894	4.3
85.06525	5.0
87.04453	4.2
89.06010	9.9
91.05471	39.8
93.07037	49.3
94.04211	3.1
95.04954	23.4
95.08617	26.0
97.06499	13.0
97.10139	3.0
103.05477	3.6
104.51791	3.1
105.07025	65.7
107.04939	5.5
107.08595	37.3
109.06506	17.4
109.10150	22.8
111.08048	4.7
117.06999	15.3
119.08580	50.2
121.06469	11.5
121.10148	37.9
123.04433	3.1
123.08084	37.3
123.11660	6.0
125.05987	10.2
128.06210	9.0
129.06987	15.8
130.07780	3.1
131.08562	24.2
133.06479	5.3
133.08566	5.3
133.10114	35.3
135.08014	15.3
135.11678	11.8
137.09624	17.6
139.11110	4.4
141.06917	5.4
142.07748	14.4
143.08542	30.6
144.09222	2.9
145.10117	39.4
147.08023	25.8
147.11646	9.5
149.09590	9.0
151.07530	40.9
155.08519	9.0
155.10620	2.7
156.09322	8.3
157.10130	34.3
158.10837	3.4
159.07997	7.8
159.11710	19.0
161.09586	11.8
161.13222	5.6
163.11176	18.1
165.06964	3.9
165.09114	42.2
167.08537	8.8
167.10728	18.3
168.09328	3.5
169.10081	11.5
170.10864	5.3
171.11697	19.9
173.09602	7.7
173.13237	12.4
175.11240	5.2
175.14771	5.4
177.09157	5.2
179.08539	4.8
179.10573	3.5
180.09473	3.6
181.10107	12.2
181.12190	17.5
182.10965	3.6
183.11665	11.5
185.09628	3.1
185.13242	7.9
187.11188	8.0
187.14864	5.1
189.12775	10.4
191.14352	5.4
193.10078	8.7
194.97433	2.6
195.11702	9.4
195.13786	3.4
197.13211	11.5
199.11186	6.1
199.14748	9.6
201.12724	5.8
203.14365	16.7
206.10901	3.4
207.11929	5.4
207.13782	17.4
208.12425	3.2
209.13203	12.2
209.15306	7.3
211.14745	5.1
213.12701	3.1
213.16330	3.9
215.14325	4.5
217.15782	3.3
221.13313	7.6
221.15332	100.0
223.14719	4.8
225.16328	3.8
231.13860	3.4
233.13121	3.3
233.15308	6.4
235.14781	4.4
239.14200	3.7
241.16093	3.1
247.16896	5.2
261.16220	3.3
286.19299	16.5
299.20068	4.1
312.21207	3.3
383.25513	3.2
385.63470	3.3
391.26132	3.2
409.27252	5.7
537.35675	7.2
558.16486	7.5
599.40802	14.8
617.18097	10.4
617.43018	72.2
618.01709	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	617.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.05507	1.1
56.96560	24.2
57.03452	0.5
57.07055	0.8
59.04984	0.5
67.05497	3.4
69.03408	1.1
69.07067	2.4
71.60811	0.7
71.95255	1.0
74.97571	0.6
79.05488	2.8
81.03428	1.4
81.07036	3.3
82.88123	0.5
83.04980	1.4
83.08614	1.2
84.96025	16.2
84.96518	1.0
85.02874	0.5
85.06554	0.7
85.25108	0.5
91.05475	4.6
93.07018	4.1
95.04971	1.8
95.08574	3.3
95.09054	0.4
97.02876	0.7
97.06524	1.1
98.97579	8.0
98.98193	0.8
102.97054	3.1
104.23814	0.5
105.07015	5.3
106.07335	0.6
107.04969	0.7
107.08577	3.4
109.06519	1.5
109.10172	2.2
110.97572	1.0
115.05432	0.6
116.98605	10.4
117.07037	1.9
119.08584	4.5
120.08936	0.5
120.98125	1.4
121.06526	1.3
121.10133	3.5
121.68160	0.5
123.08041	3.2
123.11715	0.6
124.99149	1.0
125.05989	0.5
125.09667	0.5
128.06252	0.8
128.98608	2.8
129.07018	1.2
131.00188	1.9
131.08546	2.6
133.06532	0.9
133.10117	3.7
134.99643	7.6
135.08035	1.5
135.11690	1.0
137.09621	1.0
140.00208	0.7
140.98622	1.8
142.07817	0.6
143.00146	6.8
143.08601	2.2
144.98094	2.8
145.10118	3.9
146.10503	0.5
146.99638	6.4
147.08072	1.5
147.11737	1.7
147.85126	0.5
149.01199	4.3
149.09637	1.2
149.13234	0.6
150.58971	0.5
151.07556	2.4
153.00768	0.8
155.00185	1.3
155.08604	0.8
156.09444	0.6
157.01738	1.3
157.10165	2.2
158.99611	3.5
159.08005	1.0
159.11707	2.0
161.01201	19.0
161.09578	0.7
161.13245	0.7
162.99139	7.9
163.11163	1.1
165.00774	1.3
165.09143	1.6
166.01797	0.9
167.02277	3.0
167.10657	2.3
169.10179	1.4
170.01344	0.6
171.11607	2.2
172.02824	0.6
172.94330	1.3
173.01207	5.1
173.02341	0.5
173.09651	0.8
173.13260	1.3
175.02823	1.3
175.11234	0.7
175.14844	0.7
177.00676	2.6
179.02269	5.8
179.10820	0.6
180.94792	0.7
181.00226	1.2
181.10181	1.3
181.12244	1.4
182.99612	3.1
183.11816	1.0
184.02866	1.6
185.01317	0.6
185.13379	0.7
186.00821	0.7
189.00662	0.5
189.04428	0.6
189.12840	1.0
190.95404	2.0
191.02321	1.6
195.11771	0.7
197.13354	0.7
198.95851	6.1
201.00682	12.2
203.02298	1.2
203.14366	1.4
206.01215	0.5
207.13788	1.1
208.12509	0.5
209.13341	0.7
211.14957	0.7
212.97340	0.8
216.96855	2.4
219.01764	4.7
221.15361	5.1
221.97476	1.0
222.95917	0.8
223.14841	0.6
224.02415	1.3
224.97533	1.7
228.96997	1.6
233.15453	1.0
237.16539	0.9
240.96883	5.2
242.98470	2.2
246.95898	1.7
246.98051	1.9
254.98589	0.9
258.98065	1.6
263.98462	0.6
264.96860	9.6
267.17673	0.5
271.17114	0.7
275.20206	0.7
279.17401	0.7
282.97913	17.0
286.19315	1.5
287.98557	1.1
296.99619	0.8
300.98990	13.3
301.02206	0.8
305.99533	2.6
317.17810	20.1
324.00821	1.1
327.23434	0.6
335.07431	0.5
335.18863	11.1
357.01761	1.8
358.16476	0.8
358.20425	3.7
375.02753	3.3
391.21552	2.8
398.04376	0.9
426.08813	0.6
498.14917	1.8
499.15421	2.0
529.21472	0.8
557.21008	1.4
558.16571	2.9
599.22479	2.2
599.40656	2.6
617.23157	100.0
617.42261	3.9
618.23315	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	617.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.9
56.96560	23.6
57.07067	0.6
61.91341	0.4
67.05499	2.0
69.03434	0.6
69.07065	1.3
70.85635	1.1
71.95258	0.8
72.23881	0.4
74.97598	0.5
79.05499	2.0
80.76876	0.4
81.03422	0.5
81.07052	2.7
84.96025	16.6
91.05471	3.0
93.07024	2.8
95.04967	1.4
95.08624	1.9
97.06528	0.5
97.99133	0.4
98.20766	0.5
98.97579	9.8
98.98180	0.7
102.06770	0.4
102.97047	3.4
103.05440	0.5
105.07011	3.5
107.04961	0.9
107.08600	1.9
109.06499	1.1
109.10167	1.0
110.10548	0.5
110.97604	1.5
112.99168	0.8
116.98609	8.9
117.07038	0.8
117.33974	0.5
119.08556	2.5
120.98100	0.9
121.06441	0.7
121.10133	3.0
123.08089	1.5
123.11789	0.5
124.99070	0.9
125.09621	0.7
128.98610	4.0
131.00142	2.2
131.08594	1.9
133.06464	0.5
133.10135	1.5
134.99641	5.4
135.08057	0.9
137.09575	0.6
140.00212	0.6
140.98592	1.3
143.00154	7.9
143.01239	0.5
143.08609	1.4
144.98050	2.8
145.01750	0.5
145.06491	0.4
145.10141	1.8
146.99634	4.7
147.08009	0.6
147.11650	0.5
149.01207	4.1
149.09683	0.7
151.07545	1.2
153.00735	0.7
155.00208	1.6
155.08528	0.5
156.09399	0.5
157.01744	1.7
157.10161	1.1
158.01323	0.5
158.99684	3.6
159.11748	1.2
161.01213	19.1
161.09599	0.8
161.13297	0.5
162.99142	7.7
163.11211	0.8
165.00726	0.7
165.09102	0.9
166.01895	0.6
167.02271	2.7
167.10704	1.7
169.10159	0.9
171.11665	1.1
172.94312	1.0
173.01218	5.0
173.09695	0.5
173.13295	0.7
175.02843	1.2
175.14755	0.6
177.00659	2.4
179.02277	4.3
180.94757	1.2
181.00214	0.9
181.12338	0.5
182.99641	2.9
183.11597	0.5
184.02896	1.7
185.01266	1.1
186.00803	0.6
189.12804	0.8
190.95288	2.1
191.02309	1.9
191.14317	0.4
195.01871	0.8
196.02853	0.5
198.95802	5.7
199.11070	0.5
201.00684	10.4
203.02367	0.6
207.13792	0.6
212.97411	0.9
214.95256	0.6
216.96953	1.9
219.01770	3.6
221.15369	2.7
222.95953	0.5
224.02327	0.7
224.97523	1.5
228.97050	1.7
233.13264	0.7
233.15387	0.6
235.47449	0.4
240.96851	3.4
242.98492	2.0
246.95903	1.5
246.98091	1.4
254.98503	0.7
258.98047	1.7
264.96863	8.8
264.99521	0.6
282.97922	16.3
284.98904	0.5
286.19376	0.6
296.99625	1.5
300.98987	13.3
301.02191	0.9
305.99448	2.2
317.14127	1.1
317.17859	20.9
324.00665	0.6
335.18909	11.2
335.22827	0.6
357.01819	1.6
358.20386	2.2
375.02606	3.6
391.21686	2.6
398.04691	0.6
406.09335	0.4
498.15173	0.5
499.15475	0.9
557.21082	1.7
558.16913	2.4
581.20813	0.7
599.21887	2.4
599.40564	0.9
617.23120	100.0
617.40094	2.6
618.23468	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	616.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
54.03466	1.2
55.01878	5.2
55.05496	3.8
56.05038	8.1
57.03440	6.0
57.07077	21.6
58.06586	3.2
60.04509	1.0
62.06073	1.3
65.03925	3.4
67.05240	0.9
67.05505	10.6
68.05028	6.3
69.03421	3.4
69.07075	5.2
70.06584	2.3
71.05001	1.7
71.08629	18.2
71.59761	1.6
72.04492	0.9
73.02905	0.9
76.08426	0.9
79.05493	6.2
80.05013	5.1
81.03413	4.7
81.07059	11.2
82.02928	1.2
82.06567	3.9
83.08612	5.2
84.04505	2.7
85.02908	4.9
85.10186	9.5
86.06065	11.0
87.71857	1.0
89.06036	2.7
91.05473	3.1
92.05000	3.3
93.05790	1.9
93.07000	2.0
94.06566	5.2
95.04974	11.2
95.08604	12.0
96.04465	2.8
96.08138	1.9
97.02881	2.8
97.06523	0.9
97.10178	3.2
98.06052	7.7
98.98485	1.2
99.04440	2.2
103.03913	1.2
106.06555	10.0
107.04932	1.5
108.04465	1.3
109.02881	1.5
109.10138	4.9
110.04065	0.8
110.06028	8.1
112.03931	1.3
121.10162	1.3
122.06030	37.5
123.04484	1.0
123.11722	2.0
124.07592	5.1
126.05585	1.5
127.03909	3.7
128.07088	1.3
132.60791	1.1
134.06032	6.4
140.07068	22.7
152.07072	24.1
170.08145	14.2
188.09180	65.4
202.02718	1.6
206.10249	9.7
214.58115	0.9
220.03722	14.4
239.23787	2.2
250.04778	1.6
268.05893	1.1
276.06433	2.1
286.06937	1.3
294.07388	3.3
313.27353	100.0
317.19559	1.2
318.19867	1.6
319.21054	2.2
320.21481	2.3
337.22177	1.9
338.22397	3.4
383.46030	1.2
497.13940	1.1
498.14746	2.2
514.29303	26.5
520.30243	1.3
532.30365	45.6
544.30017	3.7
557.16058	2.0
562.31293	4.1
580.32758	5.3
580.41272	1.7
598.33185	1.3
616.17419	3.1
616.38251	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	616.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.0
56.05039	2.8
57.03440	0.5
58.06613	1.4
59.07376	0.6
60.04535	0.8
60.08165	18.4
60.08479	0.9
65.24362	0.5
66.65457	0.5
67.05498	1.3
69.03431	0.6
69.07061	1.6
69.28258	2.6
69.28682	2.9
70.05996	0.6
70.06596	13.7
71.06981	0.8
71.07378	6.8
72.08171	3.5
74.06084	0.7
76.02234	0.6
79.05526	1.1
81.07072	1.8
84.04513	2.9
84.08150	4.8
85.02910	1.3
86.09709	60.2
91.05484	1.4
93.07036	1.1
95.08608	1.9
97.06509	0.7
98.98480	5.2
102.05557	0.9
104.05303	0.5
104.10748	100.0
105.07043	0.8
105.11057	1.0
107.04946	2.6
109.02880	0.5
110.07198	2.3
119.04937	0.5
120.08073	2.6
120.91640	0.5
124.07524	0.8
125.00010	31.4
129.10234	2.7
130.05019	0.8
131.04878	0.9
132.48599	0.6
136.07594	1.3
143.00998	0.8
143.02721	0.6
177.77953	0.5
184.07347	98.4
253.17891	0.7
258.10995	1.5
269.45807	0.5
282.27124	0.5
436.24646	4.8
446.92059	0.5
454.25674	39.1
455.26108	1.3
598.29791	4.8
616.30969	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	616.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95654	0.5
55.05507	1.4
56.05036	2.6
56.96575	0.5
58.06613	1.4
60.04531	0.8
60.08165	16.6
62.84404	0.5
67.05502	1.6
69.03454	0.6
69.07059	1.2
70.06593	11.7
70.85216	0.5
71.06966	0.8
71.07374	6.9
71.16905	1.5
72.08154	3.9
79.05479	0.9
79.65118	0.5
81.03379	0.6
81.07048	2.0
83.06171	0.6
84.04491	2.8
84.08145	4.3
85.02883	1.2
86.09705	57.6
87.10033	0.8
91.05500	1.0
93.07076	0.8
95.08594	1.5
95.43287	0.5
98.98473	4.5
104.10742	100.0
105.07014	0.7
105.11081	1.1
107.04957	3.0
110.07173	1.4
115.08730	0.6
116.07015	0.6
119.08551	0.7
120.08099	2.1
120.73722	0.5
125.00002	31.0
129.10211	2.2
130.05017	0.5
131.04939	0.6
136.07573	1.1
143.01053	0.8
163.01573	0.5
184.07339	89.1
185.07635	1.1
185.09169	0.5
258.10983	1.0
292.18985	0.7
314.85004	0.6
414.81470	0.5
436.24573	4.7
454.25644	38.4
455.25876	1.8
502.69299	0.5
598.29779	4.2
616.30878	16.5
617.30981	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	1.3
56.96563	6.7
60.08164	8.9
64.17824	0.8
67.05499	1.4
70.06583	1.8
71.07371	4.8
71.58886	1.5
72.08150	1.4
79.05473	1.1
81.07049	1.7
84.96037	2.0
86.09702	23.5
91.05480	1.0
95.08645	1.4
98.97533	1.0
102.92613	0.9
104.10740	100.0
107.08590	0.8
115.97924	0.7
116.98702	0.9
125.00008	3.1
134.99643	1.3
146.99652	2.0
149.01300	0.9
154.94193	1.8
161.01193	1.4
165.00809	1.4
172.95255	6.6
180.95731	1.4
184.07336	5.6
189.43916	0.9
190.96326	4.3
198.96809	14.0
214.96475	1.1
216.97868	19.7
221.98415	1.8
228.97771	3.9
234.98868	1.2
239.99399	2.0
240.10045	2.1
246.98534	0.8
254.99512	1.8
283.01788	1.7
300.05008	1.3
317.17892	23.2
317.21420	1.8
335.18896	15.6
335.25494	1.3
358.20554	3.0
373.20636	1.4
386.09686	1.0
437.17462	2.5
441.17145	1.1
453.16824	1.4
471.18228	5.3
479.18896	1.2
483.12796	2.2
497.13425	3.9
497.19916	3.6
498.14914	8.6
500.24564	10.1
538.58051	0.9
556.27057	17.7
557.16156	10.8
616.17426	19.2
616.29095	7.5
617.23273	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	616.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.5
54.00328	2.0
55.01871	3.5
55.05510	10.8
55.20480	2.0
57.03415	1.9
58.99580	13.2
58.99824	2.0
61.84827	1.9
67.05224	1.9
67.05508	22.1
69.03445	3.3
69.07056	7.6
69.66607	14.7
70.02949	20.0
70.06579	7.3
71.04967	3.2
72.08134	3.1
74.00661	2.3
74.02435	2.9
76.01826	3.0
76.02230	37.3
76.03991	7.5
77.52319	1.8
79.05486	11.4
80.05013	2.8
81.03405	2.9
81.07057	19.8
83.04979	7.0
83.06109	3.1
83.08598	3.9
84.04483	14.2
84.08112	2.3
85.01100	2.5
85.06555	2.2
86.00607	2.4
86.09689	4.7
86.99062	3.6
88.02215	2.0
88.03969	3.4
91.05479	18.2
93.07053	10.0
95.04937	3.0
95.08601	8.1
97.01127	4.3
97.06539	3.3
98.09674	3.1
98.21468	4.8
99.05575	6.7
102.00078	3.8
102.05534	2.4
104.10716	2.8
105.07047	15.5
106.35966	2.3
107.04958	8.2
107.08634	14.9
108.01445	1.9
109.06506	3.6
109.10161	19.4
110.07145	2.0
111.08079	3.4
112.02210	4.5
113.04261	2.6
116.01700	18.1
116.03448	4.2
119.08598	6.6
121.02846	2.3
121.10155	2.9
124.02116	2.2
128.01643	3.0
130.05005	4.9
131.08554	6.1
133.06468	3.0
133.10143	27.7
135.08032	4.9
135.11667	2.8
137.09627	2.9
142.03195	7.6
143.08583	3.1
144.01125	7.3
145.06091	100.0
145.10152	2.2
151.05772	3.8
151.11220	9.7
153.06630	2.3
161.09637	4.3
162.02231	25.9
169.06879	3.9
169.12158	2.8
170.02728	4.9
173.09607	2.2
177.03256	2.8
179.04834	38.1
184.07253	2.5
199.07106	2.6
215.12770	5.0
230.02841	2.2
233.05872	6.1
245.05888	2.7
254.12019	3.4
262.79688	2.4
268.13657	2.8
273.18546	6.5
274.10367	4.2
291.19458	17.4
297.12796	3.5
302.26678	2.2
308.09094	6.4
309.20496	4.8
323.16589	3.0
348.19894	6.9
357.14520	2.6
366.20987	11.8
371.16324	7.2
384.21912	13.9
423.22302	2.4
451.22620	14.5
469.23721	34.7
541.25665	8.7
598.27826	3.2
616.28577	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	616.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.1
55.01866	6.4
55.05262	2.1
55.05510	29.0
56.05018	3.3
56.86063	1.7
57.03424	5.2
58.99586	4.6
59.05006	2.1
62.46960	2.1
65.03940	3.6
67.05505	24.8
68.02694	1.7
69.03421	6.8
69.07059	9.6
69.42781	17.6
70.02932	2.3
70.06583	11.6
71.04982	5.0
72.08148	3.7
72.15337	1.6
72.93794	2.0
73.43316	2.0
76.02225	33.6
76.04016	1.8
79.05492	29.2
80.25847	1.7
81.03411	46.1
81.07056	54.1
82.06581	1.9
83.04983	18.9
83.08615	23.0
84.04479	9.0
84.08133	2.7
85.02896	7.3
85.06538	2.6
86.09705	4.3
87.04468	2.8
88.21505	1.7
91.03926	2.4
91.05477	27.4
93.07044	28.4
94.06548	2.6
95.04967	30.2
95.08591	16.7
97.02879	6.9
97.06535	6.4
97.09639	2.2
97.10175	15.2
99.08071	3.0
105.07018	22.4
107.04940	22.8
107.08611	15.3
108.08125	3.7
109.06509	5.3
109.10159	11.1
110.09612	2.2
111.04436	8.4
111.08085	9.7
112.07566	1.8
115.05518	2.2
116.01669	6.8
117.07044	11.0
117.07711	2.0
119.08581	25.9
120.08080	2.6
120.33235	2.1
121.06477	9.3
121.10149	11.0
122.05991	3.6
123.04398	2.2
123.08071	18.0
123.11649	2.9
125.09631	11.3
129.07004	8.6
130.05000	4.5
131.08578	13.9
133.06477	5.2
133.10139	10.7
135.08076	4.2
135.11684	5.9
136.07620	3.5
137.09607	9.2
138.09152	3.5
139.76729	1.7
142.03253	2.8
142.07750	2.6
143.08595	5.0
144.01126	4.4
144.70299	1.9
145.06084	5.8
145.10088	9.5
146.06070	2.2
147.08057	9.8
147.11699	10.9
148.07616	3.1
149.09610	8.1
151.11218	2.2
153.12746	3.1
157.10118	13.1
159.11671	4.3
161.09641	4.4
162.02217	14.5
163.11148	10.0
165.09088	2.8
165.12695	2.4
166.08623	5.0
169.12251	3.7
171.11661	3.5
172.03963	12.2
175.11205	11.1
179.04849	41.5
181.12250	3.0
187.13260	3.4
189.11198	10.6
189.12724	2.6
190.05022	7.2
191.10628	4.3
193.12230	35.0
204.06526	4.2
209.11603	2.3
211.13292	100.0
222.16206	1.9
223.13307	17.8
227.12666	5.9
233.05878	9.4
239.12704	5.0
242.11911	4.6
244.09682	13.1
245.06142	3.0
245.18930	3.0
249.14821	2.1
251.16449	3.0
255.17361	4.1
263.20023	3.2
273.18484	26.5
291.19547	66.5
308.09088	34.8
309.20587	17.3
325.11731	4.7
384.22278	2.6
419.15619	3.0
431.15930	3.2
451.22079	2.3
469.23044	3.3
584.24207	11.5
598.35364	3.9
616.33594	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.4
53.85303	1.5
54.73091	1.5
55.01861	4.6
55.05498	7.5
56.05025	2.3
56.96562	1.7
57.03424	2.8
58.99576	7.8
65.03931	2.6
67.05504	20.3
69.03418	5.2
69.07056	7.3
70.02939	7.2
70.06583	6.3
70.26157	6.0
71.04977	3.1
73.02879	1.6
73.17250	1.6
73.64471	1.5
74.00644	4.5
76.02231	21.4
76.03992	5.5
79.05493	17.0
80.05021	3.0
81.03401	7.6
81.07063	18.1
82.06581	2.6
83.04990	3.5
83.08620	3.8
84.04488	8.9
84.08141	2.3
85.02891	5.8
86.00573	1.5
86.99057	3.4
87.04447	2.4
87.09238	1.7
89.03910	3.7
91.05477	15.6
93.07041	18.4
94.06558	9.7
95.04963	8.3
95.07323	4.7
95.08607	8.4
96.08133	10.6
97.02896	1.9
97.06539	4.4
98.06038	1.6
98.20808	2.5
99.05584	3.1
104.04973	3.1
105.07037	11.6
106.06529	4.1
107.04960	38.1
107.08576	10.6
108.05274	1.5
108.08138	10.7
109.06497	3.2
109.10152	13.9
110.09663	17.0
111.08072	2.5
116.01712	10.9
116.04981	14.0
117.07043	2.6
119.08576	6.6
120.08083	14.2
121.02857	5.1
121.06472	4.4
121.10143	3.8
122.06026	13.0
123.11715	2.1
124.07603	14.2
130.04999	4.2
131.08548	4.0
132.04468	2.5
133.10159	13.5
134.05995	3.6
135.08064	3.4
135.11636	2.3
136.07581	24.8
137.09615	2.4
138.05493	2.7
138.09134	15.4
142.03226	4.1
144.01155	6.5
144.04454	25.6
145.06081	55.0
145.10146	3.8
146.06013	10.2
147.11702	2.8
148.03934	1.7
148.07558	11.8
150.05499	16.0
151.05730	2.9
151.11168	8.6
152.07133	4.6
157.10081	2.5
160.03842	2.4
162.02220	13.3
162.05447	11.2
164.07033	3.2
166.08638	43.0
169.06731	2.0
170.02672	1.9
170.09575	1.8
171.07965	2.2
172.03935	100.0
175.11217	1.6
176.07016	1.7
178.04909	2.1
179.04890	17.9
181.06136	2.4
183.06831	2.1
187.05356	2.8
190.04980	69.3
197.10736	2.0
198.09209	4.1
199.07143	3.8
200.10739	4.0
204.06563	46.8
215.12860	1.9
225.10199	2.6
226.08514	5.8
233.05846	4.1
235.08549	2.1
236.09334	2.3
237.10062	4.5
238.10741	2.2
240.10161	5.1
242.11760	35.9
244.09698	80.6
245.10129	2.1
245.12636	1.7
250.10909	2.8
251.11790	4.7
253.09698	2.2
254.12102	2.3
257.12787	3.2
258.11133	4.4
260.12857	3.0
263.11801	2.7
265.09665	9.7
266.10416	2.3
267.15778	1.9
271.11017	3.6
273.12082	3.4
273.18552	3.1
274.10306	3.7
277.09741	2.4
279.11252	4.2
281.12592	2.6
283.10818	4.6
285.09732	2.3
286.10745	5.6
291.19571	11.4
297.12488	8.3
299.14081	4.4
303.14731	4.3
304.11978	2.1
307.10754	2.4
308.09137	5.6
309.20535	3.6
313.11768	8.9
317.12787	6.8
325.11841	54.0
329.12650	2.0
330.13220	3.7
337.11856	10.5
339.12891	2.9
343.12857	15.3
345.15863	2.1
348.19876	2.5
357.14499	9.4
363.17117	3.9
366.21021	6.5
371.13177	8.0
372.14447	2.9
373.15665	2.6
373.61575	1.8
376.14035	4.0
377.14944	17.9
384.22000	6.7
387.16998	2.8
389.14896	12.5
419.15897	14.7
431.16168	24.4
451.22449	7.5
469.23700	25.0
478.19852	11.4
490.19656	25.6
492.20218	1.8
540.25049	3.5
541.25757	3.3
542.22931	3.4
557.16010	2.5
566.22620	3.4
572.34991	2.9
584.23901	92.0
585.23950	3.3
598.35547	2.7
616.17981	2.3
616.26166	4.8
616.34863	4.7
623.65863	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	616.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
55.01861	0.6
55.05504	1.0
57.03441	1.3
57.07061	0.2
61.02920	1.1
67.05509	1.2
67.39693	0.2
69.03427	5.8
69.07054	0.3
70.04075	100.0
70.06580	1.4
71.04990	1.7
71.42642	0.4
72.08144	0.5
72.53960	0.2
73.02915	1.6
73.51894	0.2
76.02236	0.8
79.05499	1.1
81.03415	8.0
81.07047	1.2
83.04957	0.5
84.04499	0.4
84.08168	0.4
85.02901	15.8
85.06519	0.4
86.03265	0.2
86.06065	0.6
86.09701	0.3
87.04458	0.6
91.03935	0.3
91.05465	1.3
93.07049	1.2
95.04964	1.4
95.08610	0.8
97.02888	10.4
97.64721	0.2
97.65363	0.2
98.06059	0.5
99.04449	10.2
103.03937	12.7
105.07050	0.9
107.04955	4.5
107.08615	1.0
108.05314	0.3
109.02877	7.2
109.06512	1.7
109.10188	0.5
110.07153	0.3
111.08060	0.3
113.06042	0.5
115.03954	0.5
116.01704	0.2
117.06988	0.5
119.08572	0.6
120.08130	0.3
121.06509	0.5
121.10173	0.5
123.08036	0.3
125.09611	0.3
127.03912	26.4
129.07066	0.4
130.04971	0.2
131.08575	0.6
135.08051	1.4
135.11693	0.2
138.09184	0.2
141.73735	0.2
143.08588	0.3
145.04958	12.9
145.10156	0.6
147.08032	0.3
147.11707	0.2
149.09605	0.4
151.11150	0.2
153.62898	0.2
157.10193	0.3
159.11696	0.3
161.09671	0.4
162.02254	0.3
163.06018	4.9
163.07397	0.4
167.10641	0.3
168.06529	0.2
169.05000	0.4
172.93256	0.2
175.11284	0.3
179.04858	0.4
179.67542	0.2
182.09264	0.4
187.06007	2.2
193.12315	0.3
199.06079	0.3
204.06580	0.3
205.07106	0.9
205.31061	0.2
211.13359	0.3
231.25945	0.2
233.05988	0.4
252.16135	0.3
253.07185	0.4
267.16052	0.5
271.08160	3.2
273.18552	0.5
289.09213	1.5
291.19540	5.6
307.10339	0.7
308.09238	0.7
310.09500	4.3
339.43091	0.2
376.13351	1.1
459.59894	0.3
469.23663	0.3
547.96698	0.3
566.33228	0.3
580.34717	0.4
584.24359	0.3
598.35657	0.9
615.38165	0.3
616.19464	0.7
616.31226	0.7
616.39618	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05467	0.5
57.07048	0.3
65.65570	0.2
67.05457	0.5
69.03390	0.4
69.07010	0.9
70.04034	0.3
71.04848	0.5
71.05195	0.2
79.05440	0.5
81.07008	0.6
84.45957	0.2
91.05401	0.5
93.06975	0.7
95.04900	0.7
95.08576	0.6
105.06937	0.9
107.08530	0.7
109.46822	0.2
117.06947	0.3
119.08505	0.7
121.06428	0.5
121.10052	0.9
123.08021	0.3
125.35565	0.2
131.08510	0.3
133.10043	0.6
135.07968	0.2
138.89827	0.2
143.08472	0.3
145.10023	0.3
157.10034	0.3
167.10587	0.7
173.13167	0.3
221.15337	0.3
233.15254	0.5
453.08051	0.4
467.09555	0.7
468.10355	3.0
469.11121	1.1
470.11829	0.9
471.12488	0.8
481.10968	0.8
482.11923	3.4
483.12714	9.7
484.12949	1.1
485.13992	0.6
496.13327	0.9
497.14206	25.5
498.14975	38.7
499.15280	1.3
511.16058	0.6
527.14905	0.3
528.12115	0.5
542.13812	0.7
543.14886	0.7
547.12830	0.3
556.14856	0.3
557.16302	56.4
558.16565	2.2
597.39929	0.4
615.16357	0.4
615.40631	0.6
616.17633	100.0
617.18024	3.4
634.18988	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78098	5.6
67.29117	6.7
70.06587	10.3
70.78257	17.0
71.20103	5.0
79.11332	5.5
83.21243	5.7
85.02921	5.8
93.38648	5.3
97.02857	8.3
119.01919	28.9
131.01895	7.1
136.06206	6.3
137.02913	8.0
143.01883	25.8
145.03482	8.0
155.01903	11.1
161.02986	66.6
171.05008	71.8
173.02992	16.3
177.02464	13.9
179.91849	6.1
182.62820	6.6
185.02879	7.7
189.06079	100.0
201.06117	11.3
203.03972	18.2
215.04216	6.7
217.05644	6.6
221.05055	15.2
231.07094	33.6
245.05051	33.9
259.06711	16.4
263.06076	13.8
273.08173	6.7
275.06052	10.5
279.05618	6.0
291.09229	9.4
296.88730	5.7
305.07236	17.5
319.08771	36.5
333.10281	14.0
337.09720	16.8
339.28687	7.4
347.08102	8.7
395.10248	9.4
405.12109	7.2
423.60434	5.9
453.14423	9.8
561.24603	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	615.405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99815	0.4
55.05489	1.8
57.07059	2.0
59.04976	0.6
65.03913	0.5
66.80396	0.4
67.05498	3.1
69.03419	1.3
69.07057	3.9
70.84818	0.9
70.85161	0.8
79.05492	3.8
81.03449	0.5
81.07038	4.4
83.04967	1.2
83.08617	1.1
85.02931	0.5
89.06023	0.7
91.05469	3.9
93.07030	5.2
95.04955	1.5
95.08597	2.1
97.06503	1.4
102.20862	0.5
105.07021	5.3
107.04934	0.5
107.08607	3.4
109.06512	1.1
109.10162	1.5
111.08078	0.5
113.12267	0.4
117.07014	1.3
119.08576	3.7
121.06525	1.3
121.10129	6.9
123.08054	2.2
123.11684	1.0
125.05988	0.6
125.09601	1.3
128.06190	1.2
129.06969	1.2
131.08556	2.2
133.10112	2.5
135.08122	1.1
135.11652	0.6
135.27235	0.5
137.09555	0.5
139.11192	0.9
143.08560	1.8
144.09372	0.6
145.10112	2.5
147.08049	1.6
147.11653	1.6
149.09590	2.3
151.07536	2.2
156.09360	0.9
157.10156	2.2
159.08070	1.5
159.11705	1.3
161.09592	0.6
163.11177	1.2
165.07040	0.7
165.09140	1.8
167.08600	0.7
167.10663	7.7
169.10077	1.0
170.11038	0.5
171.11719	1.5
173.09662	0.7
173.13252	1.4
179.08658	0.6
181.10150	1.1
181.12195	1.6
183.11699	1.2
184.07298	0.6
185.09593	0.9
187.11211	0.6
189.12802	1.5
191.14287	0.9
193.09943	0.6
195.11716	1.3
197.07228	0.6
197.09541	0.6
197.13304	0.9
199.11201	0.8
203.14250	0.7
207.11824	0.6
207.13779	1.2
209.13327	0.7
209.15279	0.6
211.14857	0.6
213.12721	0.5
215.14311	1.4
219.13855	0.5
221.15335	3.0
225.12813	1.0
233.15363	7.2
275.20163	0.6
311.20117	0.6
323.09814	0.6
381.24246	1.4
393.24075	0.8
407.25882	1.0
453.07788	0.6
467.09698	1.1
468.10138	2.9
469.11319	0.8
470.11987	0.8
471.12604	0.9
481.11105	0.8
482.11789	3.3
483.12607	8.7
484.13431	0.9
496.14404	2.0
497.14285	25.7
498.14972	34.4
502.64713	0.6
542.14624	0.6
544.25134	0.6
546.13287	0.7
555.24878	0.8
556.17169	1.9
557.16302	50.8
579.37933	0.7
583.23688	0.7
597.39038	1.9
615.18494	4.7
615.27173	1.2
615.40985	10.0
616.17627	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3108
Annotation	Phoslactomycin C
Peak:m/z	Relative Intensity
50.01597	0.2
51.02373	0.4
53.03938	0.8
55.01858	0.2
55.05508	0.2
57.28202	0.1
59.18517	0.1
67.05484	0.3
69.03432	0.1
69.37456	0.3
69.37869	0.9
77.03910	0.3
79.05488	1.9
80.05013	0.7
81.03407	0.2
81.07027	0.2
83.08637	0.1
83.20431	0.1
87.04453	0.8
87.31517	0.1
91.05462	0.1
95.04961	2.6
97.10185	0.2
105.04497	0.4
107.04947	100.0
108.05278	0.5
113.82069	0.1
121.10109	0.1
136.07544	0.6
148.07558	5.9
159.70595	0.1
162.09161	0.2
166.08549	0.7
169.06464	0.1
184.07527	0.2
186.09129	0.3
192.13802	0.1
196.07501	0.1
197.08217	0.1
198.09189	0.2
210.14999	0.1
211.07532	0.2
213.03397	0.1
220.57281	0.1
221.04526	0.2
230.15147	0.1
232.16792	0.2
239.18069	0.1
242.15398	0.5
243.01656	0.1
260.16449	4.8
270.11185	0.3
272.12869	0.6
278.17465	1.0
292.13339	0.2
294.17160	0.2
296.18542	12.4
297.18881	0.2
300.50858	0.2
308.18573	0.2
315.05432	0.1
373.19354	0.1
378.16907	0.7
400.21176	0.5
402.22723	13.7
414.22607	0.6
485.21436	0.6
506.25247	1.0
507.26083	0.3
508.26923	24.2
509.27243	0.2
614.31067	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	614.4837
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98796	2.0
55.05500	3.4
57.07076	50.8
59.10721	2.1
66.44597	2.5
67.05482	2.6
68.29839	2.2
69.07050	8.7
71.08631	48.3
71.58957	3.9
71.59325	3.0
73.06542	8.0
81.07044	2.8
83.82392	2.4
85.10185	31.5
87.04469	5.5
89.05479	5.0
89.06033	100.0
91.07622	3.3
93.07075	2.6
94.78918	2.2
95.08561	2.9
97.10180	3.5
99.11724	7.4
103.86465	2.5
105.07011	2.9
107.07060	7.2
111.11732	4.0
113.13270	8.6
117.09115	6.6
130.08635	3.1
133.08607	67.9
175.09787	2.7
177.11224	26.8
184.71230	2.4
197.98601	2.3
221.13988	3.4
221.91185	2.4
263.74963	2.5
271.26401	3.4
315.28738	4.7
415.25180	5.8
501.44711	2.8
597.45599	5.1
614.48224	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	614.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.3
55.01855	4.0
55.05509	10.6
56.05020	3.0
56.57133	1.4
56.96554	2.0
57.03439	11.9
58.74979	1.4
58.99590	19.6
65.03929	2.0
67.05505	16.3
69.07067	3.7
70.06582	6.3
70.22549	6.2
72.08150	1.6
76.02225	75.0
76.03974	3.5
79.05484	13.2
81.03401	6.2
81.07058	18.2
83.04976	23.3
83.06079	7.6
83.08616	1.5
84.04508	14.2
84.08112	2.1
85.06535	1.7
86.09693	4.0
86.99049	4.2
91.05482	15.6
93.05774	4.1
93.07049	14.8
95.04961	5.9
95.08592	11.6
97.01102	1.9
98.00637	2.5
99.02670	1.8
99.04467	1.4
100.02197	2.2
102.05540	1.9
103.05440	1.7
105.07030	13.5
107.04945	21.9
107.08588	6.0
109.06486	7.7
109.07645	2.3
109.10166	3.1
111.04443	21.0
112.02190	2.3
113.05999	3.6
116.01656	22.8
117.07027	8.6
119.08576	7.4
121.06493	5.9
121.10162	3.0
122.07346	2.4
123.08081	4.9
124.02150	2.0
126.03738	52.9
127.04500	3.5
128.05292	6.2
128.06161	2.6
129.06754	2.7
130.04977	6.4
131.04828	2.1
131.08585	9.9
133.06476	5.6
133.10141	5.9
135.08044	7.0
135.11731	7.9
136.04028	1.5
137.05962	1.8
140.05270	6.4
141.04793	4.9
141.06966	4.4
142.03241	8.4
143.08543	4.7
144.01158	12.7
145.06500	7.3
145.10124	5.8
147.08055	7.6
149.06007	2.3
149.09598	1.5
153.06609	2.7
155.08420	2.0
157.10146	4.2
159.08031	5.5
159.11705	7.4
161.09605	6.3
161.13148	1.8
162.02197	27.3
163.11168	3.0
164.05295	2.0
168.04741	2.2
169.10143	3.2
170.02692	6.2
171.11612	2.0
177.03333	1.7
177.12732	8.3
179.04857	48.4
181.06029	1.7
183.07661	3.8
183.11728	2.7
185.03798	4.4
187.05385	15.8
187.11150	3.7
187.14760	2.0
189.12796	2.0
205.15959	3.2
215.04816	5.2
215.14320	1.8
219.13800	1.9
229.06403	6.1
231.04422	8.4
231.07872	2.1
233.05902	50.9
233.15288	7.9
237.14970	1.9
241.14337	1.7
243.07983	8.3
243.17360	2.6
245.05927	5.0
261.18591	7.7
267.07852	1.7
271.16971	7.4
289.17966	43.7
290.07910	2.6
291.06461	2.4
299.53391	1.6
303.14130	1.9
307.19064	12.1
308.05496	2.0
308.09058	33.6
308.12433	2.8
321.15152	11.0
339.16489	1.9
346.18320	10.5
364.19391	31.4
374.17892	3.2
392.19049	2.5
400.13040	3.4
403.20743	2.7
449.21045	74.5
450.21005	2.6
467.22122	100.0
468.22128	3.8
521.23431	1.9
539.24158	16.0
540.24976	1.8
596.26099	2.1
613.92059	1.5
614.27118	4.8
642.16620	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4828
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03938	3.2
55.05508	12.0
57.03427	5.9
57.07060	3.4
61.84141	2.2
62.54699	2.1
64.23591	2.4
65.03944	2.6
66.04004	2.6
67.05506	49.9
69.07072	17.9
69.89164	13.9
79.05503	33.2
79.48897	2.4
81.07065	54.7
83.08643	9.0
91.05473	21.6
93.07049	31.4
95.08048	5.0
95.08607	43.7
95.09176	4.1
97.10189	4.7
98.69447	3.0
105.07040	25.4
107.08600	24.8
109.10151	26.5
117.07025	9.1
119.08581	25.7
121.10141	17.2
123.11723	8.2
127.82220	3.8
129.07016	4.9
131.08588	21.5
133.10129	18.1
135.11681	16.9
137.13264	3.8
141.07069	2.9
142.44067	2.5
143.08615	4.9
145.10141	13.3
147.11690	15.3
149.13274	8.8
157.10239	6.8
159.11720	21.8
161.13275	11.8
163.14911	5.3
171.11693	6.1
173.13327	12.8
175.14845	5.8
182.47606	2.6
185.13292	8.4
187.14877	3.8
189.16396	2.9
191.18051	3.0
199.14902	5.8
201.16310	5.3
241.19644	3.7
243.21121	4.2
259.20682	10.1
261.22223	11.7
333.24292	5.5
335.25827	17.0
337.27411	9.4
521.43591	6.3
539.44379	4.7
595.47516	13.6
613.48254	100.0
614.48920	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	614.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	4.9
56.05033	2.6
57.03440	7.9
58.99601	6.3
60.04516	1.6
67.05510	7.4
69.07040	1.6
70.02941	1.8
70.06590	11.2
71.04969	2.0
71.59377	2.4
72.08153	2.0
76.02229	21.5
76.04005	3.2
79.05475	5.1
81.03416	1.3
81.07065	6.8
83.04992	8.4
83.06075	3.4
84.04510	9.2
84.08136	4.1
85.06540	1.5
86.00623	1.3
86.09711	6.8
86.99038	2.9
88.02200	1.4
91.05472	7.6
93.04498	1.1
93.07047	7.9
95.04978	3.3
95.08588	3.9
96.04417	1.1
97.01127	3.1
97.06541	1.2
98.98501	1.3
103.05453	2.4
105.07029	4.2
106.06590	1.5
107.04953	8.3
107.08596	3.6
108.08080	2.5
109.06510	2.6
110.07172	1.9
111.02676	2.5
111.04424	6.4
112.02185	1.3
113.06023	1.5
115.02152	1.4
116.01673	10.5
116.07033	1.3
117.06990	3.1
119.08577	4.1
120.08088	4.3
121.02905	1.5
121.06531	3.4
121.10156	1.5
123.08048	2.4
125.04226	4.3
126.03712	2.0
127.02089	2.3
129.06818	2.4
129.10234	4.1
130.05008	3.7
131.04855	1.1
131.08568	4.6
133.06482	2.1
133.10153	3.0
135.08080	3.3
135.11670	2.1
137.04201	2.9
138.03777	2.0
139.03265	1.7
140.05289	1.7
141.03722	2.1
142.03259	4.0
144.01134	4.2
145.06317	2.5
145.10091	3.0
147.08032	2.0
149.04175	2.0
150.03770	1.9
151.05774	2.8
152.05222	1.6
153.03743	1.4
153.06575	1.9
157.00685	1.3
159.08018	2.4
159.11690	1.7
162.02235	9.7
164.05260	1.7
165.03716	8.8
168.04825	1.7
169.10109	1.6
170.02751	1.8
177.03313	3.0
177.12741	2.6
179.04881	9.4
184.07344	4.3
185.03723	6.5
187.05421	3.5
191.05338	1.7
199.07217	2.3
231.04335	12.8
233.05975	6.5
248.16502	1.5
261.18430	2.3
289.17972	10.4
292.13812	1.6
303.14117	5.6
307.18903	3.2
308.09113	4.9
308.16742	2.3
321.15192	25.1
338.17914	2.4
346.18411	7.8
347.16879	1.5
354.71353	1.4
355.95435	1.4
364.19443	24.8
374.17953	3.6
392.18832	1.8
404.65332	1.3
421.21631	1.4
449.21030	6.6
467.22131	100.0
468.22461	2.1
475.22693	1.3
521.23065	2.8
533.22870	1.7
539.24146	10.1
596.26068	3.7
614.27557	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	613.482
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03934	1.6
53.60256	1.0
54.52327	0.9
55.01881	1.3
55.05254	1.6
55.05508	18.5
57.03437	6.0
57.07071	4.0
65.03931	3.1
67.05502	54.2
68.01629	1.0
69.07067	20.5
71.04977	2.8
71.08636	1.5
75.44794	0.9
78.00147	1.0
79.05053	2.0
79.05491	29.6
81.07053	60.5
83.04971	1.3
83.08618	10.7
85.06541	2.0
91.05477	23.8
93.07039	35.5
95.04945	3.3
95.08602	45.9
97.06538	2.7
97.10184	5.2
105.07023	26.1
107.08595	23.3
109.06467	1.3
109.10149	24.7
109.31150	1.0
111.08072	1.2
111.11765	1.1
115.05449	1.6
117.07021	10.3
119.08577	23.4
121.10139	22.6
123.08031	1.2
123.11701	10.5
125.09630	1.8
128.06212	1.3
129.06970	4.7
131.08557	17.8
133.10136	19.1
135.11687	14.1
137.13258	3.8
139.11224	1.9
141.06993	1.0
143.08560	6.1
145.10129	19.4
147.11661	16.7
149.13240	9.1
151.14851	1.5
152.91037	1.1
155.08546	1.9
157.10098	6.5
159.11693	14.7
161.13243	9.3
163.14879	3.1
165.16422	1.0
169.10104	3.2
171.11699	7.1
173.13287	10.4
175.14822	4.7
177.16296	1.2
181.10205	1.5
183.11732	2.0
185.13246	6.9
187.14781	8.1
189.16379	3.5
191.18027	1.2
195.47369	1.0
197.13274	2.9
199.14880	2.3
201.16451	3.6
203.18074	1.5
211.14896	1.4
213.16461	2.2
215.17888	2.4
217.19572	1.2
223.14868	1.0
227.17958	1.7
229.19501	1.0
231.21172	1.5
235.14619	0.9
241.19598	4.1
243.21100	3.3
247.20552	1.0
251.81494	1.0
259.20612	8.8
261.22159	10.7
263.23819	2.7
273.22244	1.5
278.48184	1.0
281.21323	1.1
285.22211	1.4
287.23584	1.4
291.23419	1.2
299.23590	1.5
313.25381	1.2
315.23138	1.2
317.24783	2.0
333.24292	6.4
335.25781	16.7
337.27493	7.9
341.28458	1.6
355.30124	1.8
416.46176	1.1
489.36078	1.4
503.36984	2.3
521.43744	7.0
539.44250	2.9
543.39612	1.3
595.47040	11.6
613.48230	100.0
614.48462	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	612.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03904	0.7
55.05473	0.8
56.12223	0.4
56.96539	0.7
57.03400	1.5
59.10809	0.3
61.02916	2.5
67.05464	1.3
69.03426	2.3
69.07024	0.8
70.06600	2.9
70.44993	0.4
71.01299	0.4
71.04958	0.7
71.60011	0.6
72.08137	0.9
73.02913	3.4
79.05457	1.0
81.03407	1.7
81.07006	1.0
83.06082	0.5
83.08514	0.4
84.04472	0.5
84.08121	0.9
85.02902	2.5
86.06031	0.5
86.09660	1.5
87.04465	10.3
87.45167	0.3
89.06020	2.5
91.03924	1.3
93.07035	0.8
94.06549	0.6
95.04942	0.4
95.06063	0.8
95.08536	0.5
97.02875	2.2
97.06512	0.6
98.09655	0.5
99.04427	0.6
101.02334	0.7
105.06973	0.8
106.06570	3.2
107.04950	5.1
107.07255	0.4
107.08580	0.6
108.08105	0.4
109.02850	0.4
109.10091	0.5
110.07115	1.6
117.05721	0.9
118.06525	5.0
120.08067	1.6
122.05952	0.4
125.64611	0.3
127.03903	0.8
129.10205	0.5
130.06477	1.0
131.07306	3.3
131.08170	0.6
132.08098	2.7
133.08620	1.0
133.10115	0.4
134.09631	0.8
144.07985	0.5
145.10114	0.5
146.09647	3.8
157.10214	0.4
160.11192	6.0
161.11964	0.7
172.11174	0.8
174.12711	0.7
177.11224	0.7
202.15871	0.6
204.10127	0.8
204.98540	0.4
218.11685	0.5
230.18962	0.4
232.13281	1.4
244.20586	6.2
250.95242	0.4
272.20068	47.5
273.20358	1.3
290.21158	3.8
303.04861	0.4
315.04871	0.5
330.24020	0.4
330.33234	0.3
346.23724	4.5
358.23645	1.0
364.24783	13.2
365.25671	0.4
376.24792	2.6
383.00095	0.4
383.17249	0.4
384.17850	0.8
409.09229	0.7
432.27588	0.4
441.14651	0.5
450.28549	16.5
451.28683	0.6
469.14319	0.5
550.35059	0.8
594.33295	1.2
612.33691	100.0
612.82501	1.8
613.34003	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	612.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03904	0.7
55.05473	0.8
56.12223	0.4
56.96539	0.7
57.03400	1.5
59.10809	0.3
61.02916	2.5
67.05464	1.3
69.03426	2.3
69.07024	0.8
70.06600	2.9
70.44993	0.4
71.01299	0.4
71.04958	0.7
71.60011	0.6
72.08137	0.9
73.02913	3.4
79.05457	1.0
81.03407	1.7
81.07006	1.0
83.06082	0.5
83.08514	0.4
84.04472	0.5
84.08121	0.9
85.02902	2.5
86.06031	0.5
86.09660	1.5
87.04465	10.3
87.45167	0.3
89.06020	2.5
91.03924	1.3
93.07035	0.8
94.06549	0.6
95.04942	0.4
95.06063	0.8
95.08536	0.5
97.02875	2.2
97.06512	0.6
98.09655	0.5
99.04427	0.6
101.02334	0.7
105.06973	0.8
106.06570	3.2
107.04950	5.1
107.07255	0.4
107.08580	0.6
108.08105	0.4
109.02850	0.4
109.10091	0.5
110.07115	1.6
117.05721	0.9
118.06525	5.0
120.08067	1.6
122.05952	0.4
125.64611	0.3
127.03903	0.8
129.10205	0.5
130.06477	1.0
131.07306	3.3
131.08170	0.6
132.08098	2.7
133.08620	1.0
133.10115	0.4
134.09631	0.8
144.07985	0.5
145.10114	0.5
146.09647	3.8
157.10214	0.4
160.11192	6.0
161.11964	0.7
172.11174	0.8
174.12711	0.7
177.11224	0.7
202.15871	0.6
204.10127	0.8
204.98540	0.4
218.11685	0.5
230.18962	0.4
232.13281	1.4
244.20586	6.2
250.95242	0.4
272.20068	47.5
273.20358	1.3
290.21158	3.8
303.04861	0.4
315.04871	0.5
330.24020	0.4
330.33234	0.3
346.23724	4.5
358.23645	1.0
364.24783	13.2
365.25671	0.4
376.24792	2.6
383.00095	0.4
383.17249	0.4
384.17850	0.8
409.09229	0.7
432.27588	0.4
441.14651	0.5
450.28549	16.5
451.28683	0.6
469.14319	0.5
550.35059	0.8
594.33295	1.2
612.33691	100.0
612.82501	1.8
613.34003	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	612.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26485	1.9
53.03926	3.3
55.05514	2.4
57.03416	3.2
67.05504	4.1
69.07059	5.0
70.06594	16.2
71.59162	1.8
71.59570	3.2
72.08167	3.6
74.28071	2.1
79.05493	3.3
81.03398	2.7
81.07077	3.0
84.04494	3.0
84.08143	7.6
85.02848	2.1
86.09716	11.0
87.09846	1.9
91.05448	4.9
95.04974	4.3
98.98475	2.7
105.07052	4.2
107.04956	100.0
107.52215	1.8
108.05295	3.1
110.07146	3.7
117.07003	2.1
119.04963	2.0
120.08103	3.2
121.02881	9.9
121.06440	2.1
125.11652	1.9
129.10266	2.5
131.04929	6.2
131.08443	2.0
133.06503	3.7
141.07008	2.9
145.06506	6.8
146.68394	2.1
159.08063	4.1
161.13237	2.8
169.33105	2.4
175.07553	6.8
181.06523	2.1
184.07347	2.3
187.07396	2.3
216.86215	2.3
218.07243	2.2
231.08026	3.0
249.09129	3.5
261.09140	5.3
272.12790	3.1
299.10709	2.8
335.60239	2.4
351.25452	2.3
352.25616	8.7
355.13205	4.6
393.14783	4.2
405.14954	3.2
406.43976	2.5
441.47318	2.2
472.97406	2.7
499.18750	3.9
529.19812	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.9
55.01857	1.9
55.05506	18.0
57.03431	4.4
57.06864	0.6
57.07073	5.9
61.02147	0.7
65.03933	1.5
67.05499	32.1
69.03425	1.4
69.06718	1.2
69.07068	16.1
71.04998	1.6
71.08617	2.1
73.62560	0.7
79.05486	19.0
79.05949	0.9
79.19663	0.6
81.03438	1.6
81.06569	1.6
81.07050	28.3
83.04974	2.0
83.08615	9.6
85.06552	0.9
85.10143	0.9
89.06018	0.7
91.05473	16.2
93.07037	19.3
95.04955	2.7
95.08599	23.2
97.06510	1.8
97.10133	4.6
98.20744	2.2
98.63211	0.7
105.07018	19.2
107.08580	11.1
109.06534	1.1
109.10139	10.9
111.08065	1.5
113.71861	0.7
115.05404	1.0
117.06998	10.2
119.08569	14.8
121.06526	0.7
121.10126	8.4
123.08060	1.9
123.11719	3.5
124.62145	0.8
125.09619	1.7
128.06215	2.9
129.07002	10.6
130.07822	0.9
131.08563	19.0
133.10114	9.7
135.11679	4.4
137.09576	0.9
137.13322	0.7
141.06973	5.1
142.07771	2.5
143.08549	15.7
145.10114	18.7
145.11276	1.0
147.11693	6.3
149.13226	2.6
153.06949	0.7
154.07791	0.7
155.08534	9.8
156.09303	1.7
157.10121	16.2
159.11682	14.6
159.12993	0.9
161.13242	4.2
163.11122	0.9
163.14832	1.6
167.08620	3.2
168.09271	0.7
169.10114	11.2
170.10904	0.7
171.11664	13.3
173.11801	1.0
173.13237	8.1
175.14838	3.0
177.16414	1.1
179.08507	2.0
181.10110	4.5
183.11667	10.4
183.13168	0.9
185.13274	8.4
187.14836	5.1
189.16479	1.9
193.10187	1.1
195.11667	4.4
196.12619	1.1
197.13263	6.8
199.14819	8.3
201.16368	3.5
203.17911	1.5
207.11739	1.7
209.13300	3.9
211.14830	5.0
213.16441	5.1
215.17863	3.5
217.19492	0.8
221.13292	1.7
223.12914	0.6
223.14766	4.0
225.16412	3.2
227.18002	4.5
229.19540	2.6
235.14812	1.9
237.16415	3.3
239.17961	2.6
241.19583	2.3
243.21178	1.5
249.16278	1.1
251.17995	1.8
253.19501	2.2
255.21214	1.5
257.18958	1.7
257.22598	0.9
259.20441	0.9
263.18179	0.9
265.19452	1.2
267.21085	2.0
269.22815	1.0
275.20093	1.3
281.22485	1.0
283.20709	1.1
293.22501	1.2
295.24280	1.1
297.22049	1.0
297.25595	0.7
299.14853	1.1
301.21805	1.0
311.23709	1.7
323.23691	1.5
325.25287	1.9
339.26950	1.9
351.26807	1.8
352.48822	0.8
353.28470	1.6
355.26114	0.7
367.30042	1.5
381.32025	1.0
393.31824	1.1
395.33273	0.9
402.53961	0.6
407.33362	1.4
435.31473	0.7
437.33948	1.4
442.33759	0.8
449.33847	1.7
451.35721	0.8
473.33801	0.7
487.34149	0.7
498.64648	0.7
501.41098	2.7
519.41888	13.2
527.37103	0.9
537.43213	10.2
541.39069	1.4
575.44623	1.7
593.45673	14.4
611.46686	100.0
612.47052	1.6
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
51.02372	1.0
51.81706	0.8
52.83595	0.8
53.03939	2.0
55.01856	1.7
55.05509	15.6
57.03445	4.7
57.07065	2.9
57.39450	0.8
58.23914	0.8
65.03940	2.7
67.05499	39.8
67.90468	0.8
69.07061	16.0
69.69791	4.9
70.40050	0.9
71.04983	2.1
71.08641	1.6
71.09123	0.8
79.05486	31.0
81.03423	1.3
81.07049	43.0
82.07339	1.3
83.04977	1.7
83.08615	8.3
85.06553	2.4
91.05470	27.3
93.07035	30.7
95.04977	3.9
95.08598	35.8
97.06529	2.5
97.10184	3.8
99.08123	1.5
105.07020	30.9
107.04956	1.0
107.08582	21.4
107.09276	1.1
109.06508	2.3
109.10147	15.4
111.08083	2.8
117.07014	12.2
119.08575	28.2
121.10126	14.7
123.11664	4.3
125.09665	2.0
128.06227	1.5
129.07002	9.7
130.07758	1.1
131.08566	22.3
133.10117	20.0
135.11676	10.5
137.09634	1.0
137.13286	1.7
137.97749	1.0
141.07011	1.7
142.07826	1.1
143.08545	14.8
144.98337	0.9
145.10115	21.8
147.11678	16.5
149.09677	1.4
149.13217	7.0
151.14764	1.1
155.08559	4.6
156.09346	1.0
157.10118	12.9
159.11674	17.5
161.09653	1.1
161.13228	10.8
163.14874	2.5
167.08537	2.6
169.10103	7.7
170.10863	1.2
171.11674	13.6
173.13269	12.4
175.14854	4.9
177.16528	1.1
179.14325	0.9
181.10127	2.7
183.11687	7.2
185.13228	10.4
186.14026	1.1
186.81111	0.8
187.14815	6.4
189.16484	1.8
193.10124	1.0
195.11720	2.1
197.13249	6.4
199.14819	6.0
201.16437	2.9
203.17950	1.3
209.13300	2.3
211.14838	3.3
213.16426	4.0
215.17998	2.5
223.14880	3.0
225.16447	2.2
227.18025	2.5
229.19403	1.5
235.14790	1.8
237.16669	1.1
239.17944	2.2
241.19511	8.9
243.21263	1.4
245.22496	0.8
255.21257	1.3
257.19125	3.6
259.20551	13.5
261.22198	2.7
269.22720	1.1
275.20154	1.0
277.22153	1.0
297.22000	1.5
299.23804	1.5
313.25357	0.9
315.23279	1.2
325.25201	1.3
331.22702	1.0
333.24234	8.2
335.25754	11.3
337.27487	1.5
339.26837	1.4
353.28607	1.9
367.29974	1.6
449.33719	1.1
501.41565	1.2
515.38312	1.2
519.41797	6.3
537.42896	3.8
541.38904	2.0
542.38751	1.1
593.45496	6.9
611.46649	100.0
612.46613	1.1
639.16791	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
54.58004	1.0
55.01881	1.6
55.05512	12.8
57.03429	3.9
57.07064	3.3
58.37126	0.8
65.03905	1.4
67.05500	34.7
69.07061	13.1
70.85062	2.3
70.85410	1.3
71.04982	1.3
71.08616	1.4
76.17519	1.1
79.05488	28.3
81.07052	35.9
83.04988	1.2
83.08617	7.6
85.06528	2.3
86.09330	0.8
91.05479	22.2
93.07039	28.7
95.04972	4.2
95.08606	30.4
97.06532	2.8
97.10165	3.5
99.08134	1.1
105.07020	28.2
105.99596	0.9
107.08576	17.3
109.06512	1.4
109.10138	13.4
111.08074	1.2
113.09721	1.1
115.05466	1.0
117.07017	11.0
119.08578	20.8
121.10144	15.5
123.11674	6.3
125.09690	1.1
128.06252	2.3
129.06993	5.6
131.08563	19.2
133.10127	17.1
135.11691	10.3
137.09642	1.0
138.78882	1.1
141.07013	1.4
142.07787	1.6
143.08554	11.3
145.10110	16.6
147.11697	13.1
149.13249	7.5
155.08531	5.0
157.10135	12.2
159.11676	14.8
161.13229	11.1
163.14874	3.7
169.10150	5.3
171.11700	10.1
173.13243	9.6
175.14828	4.1
177.12857	1.3
181.10159	1.9
183.11681	6.3
185.13225	8.0
187.14798	4.6
189.16447	1.8
195.11737	2.2
197.13179	4.9
199.14854	4.1
201.16451	3.3
209.13246	2.6
211.14789	3.4
213.16443	3.8
215.17981	2.2
217.19676	1.6
223.14908	3.1
225.16306	2.2
231.21106	1.5
237.16385	1.5
239.17947	1.9
241.19507	7.6
243.21133	1.4
257.19031	4.8
259.20569	14.2
261.22144	4.0
297.22391	1.8
311.23947	1.1
315.23438	1.2
333.24200	11.0
335.25775	16.1
353.28436	1.6
354.96426	0.9
373.26907	0.9
449.33423	1.2
449.86572	1.0
452.71088	0.9
515.37579	1.2
519.41833	6.7
529.38153	1.1
537.43353	5.6
541.38434	1.0
593.45428	8.7
611.46655	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
55.01858	1.4
55.05257	1.5
55.05508	20.9
57.03447	4.8
57.07085	2.1
65.03926	3.2
67.05501	48.2
67.23066	1.0
69.04314	1.0
69.07066	19.8
70.05917	1.0
71.04974	2.5
71.30126	1.3
71.30473	2.0
79.05485	40.8
81.06569	2.3
81.07050	44.6
83.04942	1.8
83.08616	8.5
85.06548	1.9
87.18514	1.0
91.05471	33.7
93.07034	39.4
93.66420	1.0
95.04962	6.0
95.08601	37.8
97.06551	1.6
97.10146	4.9
99.08072	2.1
105.07024	33.2
107.08584	24.2
109.06506	2.5
109.10149	16.8
111.08099	1.1
111.69283	1.1
115.05435	1.1
117.07002	17.0
119.08570	29.3
121.10140	17.5
123.08072	1.8
123.11697	5.1
128.06235	3.0
129.07007	10.6
130.07779	1.8
131.08553	23.8
133.10120	22.7
135.06039	1.0
135.08142	1.3
135.11659	13.7
137.13196	1.5
141.06972	4.2
142.07816	1.8
143.08562	12.5
144.09360	1.4
145.10107	22.5
147.11688	17.0
149.13248	6.8
155.08510	6.1
156.09352	1.5
157.02116	1.3
157.10114	14.0
159.11684	17.6
161.13254	12.3
163.11174	1.3
163.14876	1.9
168.09326	1.8
169.10112	7.0
171.11688	12.3
171.94131	1.0
173.13246	11.8
175.14822	5.8
181.10121	3.3
183.11702	8.8
185.13226	11.2
187.14856	6.3
189.16377	1.7
195.11665	3.2
197.13266	5.8
199.14842	7.6
201.16431	4.3
203.17894	1.1
209.13295	2.3
211.14859	3.2
213.16418	5.6
215.17935	2.5
217.19595	1.2
223.14809	2.0
225.16364	2.5
227.17960	1.8
229.19501	1.7
231.17690	1.1
231.21101	2.5
239.17926	2.6
241.19653	8.6
243.21085	1.5
251.17911	1.2
257.19022	4.2
259.20514	16.4
261.22153	4.7
277.21722	1.0
297.22263	2.1
313.24921	1.4
333.24216	11.9
335.25732	19.6
337.27383	1.6
339.26855	1.5
449.33813	1.1
519.41962	6.8
537.42871	3.9
545.72522	1.2
593.45538	10.4
611.46625	100.0
612.46930	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	611.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.01857	1.2
55.05508	13.9
55.97577	1.0
57.03429	4.6
57.07067	3.1
57.81481	1.0
64.53304	0.9
65.03922	1.1
67.05499	28.5
67.56516	0.9
68.62609	0.9
69.07059	13.2
70.03846	4.6
71.04983	1.6
71.08608	2.1
74.97197	1.0
79.05494	17.2
81.07047	27.6
83.04983	2.1
83.08608	7.2
85.06512	1.8
91.05470	15.8
93.07031	19.6
95.04975	2.8
95.08600	22.8
97.06546	2.1
97.10162	4.0
97.87132	1.0
103.05457	0.9
105.07020	17.1
105.07672	1.5
107.08584	10.5
109.10135	9.7
116.06301	1.0
117.07021	11.6
119.08575	15.7
121.10139	11.2
123.11727	3.1
125.09589	2.5
128.06169	2.0
129.06990	7.9
131.08565	17.5
133.10115	11.4
135.11719	5.0
141.06979	2.8
142.07796	2.4
143.08543	12.9
145.10115	16.7
147.11667	5.7
149.13242	1.6
151.14809	1.2
155.08528	6.0
156.09322	1.2
157.10130	9.9
159.11681	12.7
161.13252	3.5
163.14922	1.0
167.08565	3.5
169.10120	9.1
171.11674	12.0
173.13274	8.0
175.14824	2.3
177.16412	1.4
181.10165	4.1
183.11668	8.8
185.11760	1.4
185.13240	8.6
187.14859	4.7
189.16457	0.9
193.10143	1.1
195.11729	4.5
197.13275	7.9
199.14833	5.1
201.16399	2.9
205.19562	1.0
209.13307	4.2
211.14853	4.7
213.16422	4.6
215.17986	2.6
221.13280	1.0
223.14824	2.9
225.16446	3.0
227.17970	4.3
229.19640	1.8
237.16295	2.3
239.17995	3.1
241.19548	3.4
251.17923	1.6
253.19519	2.3
255.21278	1.7
257.19016	2.1
257.22510	1.3
263.17743	1.5
265.19458	1.5
275.20032	1.4
281.22083	1.1
297.22015	1.5
303.08835	1.3
311.23938	1.1
319.79568	1.0
353.28482	1.5
367.30203	1.0
449.34369	1.7
501.41113	2.2
519.41858	8.8
537.43298	5.5
593.45673	9.7
611.46649	100.0
612.47003	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	611.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56647	2.4
55.05508	6.7
57.03446	3.5
57.07067	2.9
58.99862	3.2
67.05504	20.9
69.03428	3.1
69.07069	11.8
71.60110	3.7
77.00906	15.7
79.05483	20.3
81.03412	3.1
81.07053	18.6
83.04971	2.4
83.08593	3.5
89.06023	12.9
91.05456	16.9
93.07043	21.9
95.01365	5.2
95.01952	12.0
95.04959	8.1
95.06174	2.4
95.08607	13.5
97.02861	2.7
97.06503	3.8
103.05450	2.8
105.07014	42.1
107.04951	9.9
107.08581	12.4
109.06522	2.6
109.10153	6.1
117.06992	6.2
119.08588	9.5
121.06487	6.6
121.10142	6.4
123.08143	2.7
129.06992	3.6
131.01889	7.1
131.08563	7.0
133.08601	4.8
133.10130	6.7
135.11697	6.5
136.22401	2.4
145.10114	4.9
147.04391	11.2
147.08063	6.2
147.11731	3.2
149.02936	4.6
149.09549	3.0
154.05705	2.8
157.10104	3.9
159.11697	4.0
173.13310	3.4
183.40800	2.4
187.08116	3.0
201.09659	2.8
205.09135	3.8
215.11234	3.2
225.12827	3.0
247.14081	2.4
259.13385	11.1
270.71069	2.8
272.12817	2.5
297.17010	4.2
299.18530	59.8
313.16394	3.9
315.18134	22.4
317.19586	100.0
318.19711	2.6
333.16977	4.7
334.17709	4.1
335.20688	34.9
335.25549	4.8
340.21243	18.4
353.21695	10.7
358.22360	4.6
413.17725	2.6
486.02002	2.6
574.48633	2.5
575.39099	6.6
580.24713	2.4
597.66296	2.8
611.39978	5.6
629.36469	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	611.415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.4
56.96552	1.7
58.99857	2.2
67.05495	4.6
68.53335	0.8
69.07070	3.5
69.89972	1.3
69.90382	3.3
77.00501	1.2
77.00905	15.2
78.26842	0.6
79.05495	6.9
81.03412	0.8
81.07056	5.4
81.63485	0.7
83.08594	1.9
87.36340	0.7
89.06003	0.9
89.59178	0.6
91.05470	6.7
93.07036	9.0
95.01374	0.5
95.01935	14.7
95.04955	1.5
95.08600	5.6
97.10141	1.1
100.02393	0.7
105.07033	6.4
106.26114	0.8
107.04935	1.8
107.08611	3.7
109.06578	0.9
109.10147	1.9
113.00848	0.7
115.45686	0.7
117.07006	1.3
118.03508	1.4
119.01911	1.1
119.08566	4.3
121.10133	4.7
121.50471	0.7
123.11678	1.1
129.06982	1.3
131.01909	7.5
131.08562	2.5
133.10091	2.1
135.11684	1.8
143.08534	1.6
145.10106	2.8
147.04341	3.5
147.11635	1.3
149.02957	6.2
149.13248	1.3
157.10100	1.0
159.11627	1.9
163.04410	0.9
171.11679	1.7
173.06581	1.5
173.13182	1.0
177.06149	1.0
183.11658	0.8
184.07831	0.7
185.06584	0.9
187.08144	2.9
191.07611	2.0
201.09698	2.5
205.09163	1.9
213.09671	1.3
215.11223	6.3
219.08633	0.7
219.10692	1.9
223.11728	1.0
227.11214	2.2
229.10822	1.0
229.12772	4.0
231.12349	1.2
233.12123	3.5
238.58855	0.7
241.12924	1.4
243.14380	2.3
247.11726	2.8
247.13997	1.9
249.13283	1.5
259.13336	2.2
261.13367	2.3
265.12857	1.1
275.14838	1.8
279.14554	1.5
289.16632	1.6
293.15976	1.3
295.15161	0.8
297.17020	4.8
299.18521	37.2
301.20038	1.7
303.18027	0.9
313.16589	3.8
315.18042	27.2
316.16840	0.9
317.19592	100.0
318.19864	3.6
319.21329	4.2
331.21164	0.9
333.19016	2.6
334.17642	3.6
335.20663	54.8
336.20844	2.1
337.22235	0.8
338.19519	1.5
340.21213	14.9
341.19888	1.5
342.22797	0.8
343.21429	1.1
351.18375	0.7
352.18741	1.5
353.21646	3.2
357.22723	1.2
358.22250	4.0
381.22974	0.9
397.25525	0.9
405.25769	0.7
409.25830	1.8
423.27921	1.3
437.29129	1.3
465.28760	0.7
557.37817	1.1
575.39417	8.7
593.40002	1.4
611.39795	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.7
53.03934	1.5
55.05502	0.5
56.58549	0.3
56.59726	0.3
56.95091	0.3
59.04992	0.3
63.33574	0.2
65.03931	0.3
66.09817	0.3
67.05504	0.6
70.13489	1.0
73.02911	0.3
73.06547	0.6
77.03899	0.3
79.05486	5.8
81.07053	1.0
83.08607	0.3
87.03980	0.2
87.04463	5.3
89.06023	38.7
91.05470	7.5
93.07040	3.5
95.04964	3.2
95.08566	0.4
97.10143	0.3
97.94833	0.3
103.05453	6.2
105.07019	100.0
106.07326	0.4
107.04958	1.7
107.07080	1.5
107.08582	0.4
109.10105	0.3
115.05434	0.3
116.06212	0.3
117.07002	1.3
117.09130	0.5
119.04926	1.9
119.08563	4.0
121.06495	23.1
121.10141	0.3
128.06198	0.5
129.07004	2.0
130.08643	0.9
131.07045	1.3
131.08549	4.8
132.05688	0.5
133.08591	23.0
133.10181	0.9
135.08044	0.6
145.06494	0.8
147.04373	0.6
147.08031	21.4
149.09612	4.8
157.10075	0.3
163.11230	0.3
165.06967	0.4
165.09094	5.1
173.09605	0.7
175.09615	0.7
175.11107	0.4
177.11206	6.9
179.08499	0.4
181.10220	0.6
191.10620	0.7
193.10420	0.3
193.12276	0.7
197.09573	0.3
209.11649	3.2
209.13297	0.3
221.13737	0.5
222.10283	0.5
223.11168	1.7
225.12721	11.3
227.12737	0.4
228.50313	0.3
239.14925	0.5
247.81941	0.3
249.12746	1.8
251.14256	1.8
253.14281	0.3
259.13104	0.6
269.15329	3.9
271.15372	0.7
297.17029	0.4
313.18057	0.5
315.17902	0.8
335.25809	0.3
359.20343	0.7
373.21518	0.8
397.25375	0.3
403.23267	2.7
507.29279	0.8
611.46826	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01606	0.4
51.02370	0.5
53.03932	1.3
55.05503	0.7
57.91525	0.3
59.04974	0.4
65.03935	0.3
67.05512	1.5
69.03429	0.3
69.07063	0.8
69.66423	2.3
73.06547	0.9
77.03930	0.8
79.05053	0.5
79.05486	6.3
81.03378	0.3
81.07046	1.3
81.50335	0.3
82.07396	0.4
83.08625	0.3
87.04462	5.0
89.06025	38.3
91.04888	0.4
91.05470	7.4
93.07041	4.3
95.04961	3.4
95.08589	0.7
97.10136	0.4
98.20676	0.4
103.05458	6.9
105.07021	100.0
106.07372	1.0
107.04932	2.2
107.07069	2.0
107.08604	0.4
116.06263	0.5
117.06995	1.5
119.04945	2.2
119.08555	3.3
121.06496	23.3
121.10113	0.5
122.06837	0.4
128.06215	0.8
129.06982	2.3
130.08618	0.7
131.07002	1.0
131.08553	4.9
132.05704	0.6
133.08594	20.9
133.10022	1.4
135.08064	0.8
145.06445	0.6
145.10130	0.6
147.04419	0.5
147.08035	19.4
149.09608	4.3
157.10107	0.4
163.07550	0.3
163.11247	0.4
165.09088	4.3
166.07870	0.3
173.09659	0.7
175.09720	0.4
177.11212	6.2
181.10161	1.1
191.10663	0.6
193.12254	0.7
207.08112	0.3
209.11646	2.8
209.13321	0.3
221.13829	0.6
223.11195	1.8
225.12715	9.3
249.12766	1.1
251.14441	1.6
259.13287	0.7
269.15375	4.1
271.15356	0.4
283.17657	0.3
315.17957	0.9
359.20651	0.8
373.21646	1.1
401.36929	0.3
403.23346	2.5
463.26901	0.3
507.29160	0.4
516.39966	0.3
611.45416	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2826
Annotation	Scortechinone P
Peak:m/z	Relative Intensity
53.03938	2.7
55.05511	8.6
57.03425	8.4
57.07068	2.8
67.05505	26.6
69.07073	9.5
71.08628	26.6
71.59455	1.9
72.95953	2.0
79.05490	21.0
81.03403	4.9
81.07050	26.8
83.04952	5.1
83.08599	3.7
91.05476	14.6
93.07043	30.5
95.04951	5.7
95.08604	17.4
97.06517	6.8
97.10201	2.4
98.98454	8.5
99.08103	17.9
103.43470	1.8
105.07026	13.2
107.04948	7.7
107.08593	16.0
109.06501	2.4
109.10161	7.6
111.08086	2.1
117.07011	4.1
119.08585	9.6
121.10157	11.1
131.08603	2.3
133.10124	7.0
135.11685	15.8
143.08485	2.6
147.11690	3.3
149.07646	1.8
149.13254	2.5
151.11154	12.6
157.10019	1.9
158.16325	2.1
161.13260	5.7
163.11192	3.6
177.12837	2.4
179.14314	47.4
180.48094	1.9
235.16933	2.4
259.20609	2.9
261.03821	2.0
277.21643	32.9
335.07587	2.2
351.25284	100.0
352.25565	2.2
355.07361	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1609
Annotation	Cyanin
Peak:m/z	Relative Intensity
53.03938	0.4
55.01867	0.4
55.05522	0.2
56.05022	0.2
57.03432	0.4
58.99573	0.2
60.04524	0.3
61.02930	0.9
62.91096	0.1
65.03948	0.2
68.99796	0.4
69.03432	1.8
69.07050	0.1
70.05566	0.6
70.06592	3.2
71.04986	0.3
71.95097	0.1
72.08177	0.8
73.02911	0.2
74.06055	0.2
76.02235	0.5
79.05499	0.2
81.03423	1.2
84.04504	0.8
84.08142	1.1
85.02908	5.5
86.09707	1.1
87.04482	0.2
87.05612	0.2
91.03950	0.3
95.04959	0.2
97.02888	2.1
99.04430	0.3
101.07167	0.2
102.05540	0.2
105.03378	0.3
107.04949	0.5
109.02883	0.7
110.07153	0.6
111.00798	0.6
112.08766	0.2
120.08099	0.5
121.02867	2.1
127.03921	1.1
129.10231	0.6
130.04982	0.5
133.02823	0.2
133.06178	0.2
135.06917	0.2
135.59259	0.2
136.07547	0.6
137.02347	0.5
145.04996	0.7
145.06111	0.2
147.04402	0.5
147.07616	0.2
153.01830	2.9
153.02997	0.3
157.06512	0.2
162.02115	0.2
165.01833	1.5
171.04297	0.2
171.07722	0.2
179.04877	0.6
183.02905	0.8
185.06006	0.4
193.12363	0.1
203.07037	0.2
213.05403	1.1
213.20525	0.1
214.46529	0.1
228.24818	0.2
231.06491	0.5
241.05014	0.8
258.05240	1.0
259.05991	0.3
268.16376	0.2
278.34225	0.1
287.05490	100.0
288.05853	2.5
303.04971	0.3
308.09113	0.4
309.09418	0.3
449.10791	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	611.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66781	0.2
55.01857	0.6
55.05506	0.4
57.03429	2.4
59.49884	0.3
61.02905	0.8
68.99789	0.4
69.03419	1.4
69.55516	2.2
70.06587	3.3
71.04988	13.8
72.08136	1.1
73.02907	0.6
75.04466	0.6
76.02221	1.3
78.28350	0.2
81.03394	0.9
81.11142	0.3
81.32104	0.3
83.04977	0.8
84.04478	0.4
84.08128	0.8
85.02899	16.7
86.09684	0.7
87.04462	0.7
91.05457	1.0
95.04949	0.4
97.02900	1.6
97.06510	0.9
98.16613	0.3
98.21615	0.5
99.04456	0.4
99.51445	0.3
105.07043	0.3
107.04948	1.6
109.02885	0.6
110.07159	0.5
111.00805	0.5
111.04446	0.6
111.07380	0.3
116.01660	0.3
119.04877	0.4
120.08108	0.8
121.02859	0.9
127.03906	1.1
127.36106	0.3
129.05475	3.9
129.10239	0.6
135.84656	0.2
136.07559	0.5
137.02321	2.5
141.69362	0.3
145.04971	0.6
145.06456	0.4
147.06480	1.3
149.02393	0.4
150.54269	0.3
153.01811	2.9
161.05859	0.3
162.02138	0.4
163.03915	0.7
165.01855	1.8
179.04858	0.7
183.02846	0.5
201.05400	1.4
223.01808	0.3
229.04939	4.7
247.05934	0.5
257.04446	1.9
260.10141	0.3
274.04779	0.6
285.03952	1.3
287.05499	1.7
287.18451	0.7
303.04968	100.0
304.05286	1.4
315.05161	0.3
316.32834	0.4
345.05957	0.6
449.10678	0.7
465.10541	0.7
611.22656	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.05498	5.0
57.03420	2.3
57.98788	1.3
58.99587	16.4
65.93633	1.5
67.05495	5.4
69.07077	1.8
69.60127	8.6
70.06597	3.2
71.41524	1.2
76.02229	88.2
76.04001	3.4
79.05505	6.1
80.05021	1.4
81.03419	53.5
81.07056	5.3
83.04974	2.1
83.08620	11.3
84.04508	15.1
86.09687	1.8
86.99055	4.0
91.05467	6.6
93.07037	4.3
95.04974	13.6
105.07007	4.9
107.04951	5.4
107.08585	1.7
111.08100	4.3
116.01672	24.1
117.18089	1.2
119.08566	7.3
121.10154	3.6
124.48877	1.2
129.06985	5.6
130.05011	13.2
131.04465	1.4
131.08563	4.2
133.10123	2.3
141.04785	1.4
142.03185	8.8
144.01129	12.5
147.11681	3.5
149.09610	2.0
157.10118	5.7
161.57373	1.3
162.02211	45.3
170.02637	2.8
175.11174	5.2
177.03345	5.0
179.04852	79.9
187.05389	3.5
193.12233	30.4
211.13351	4.0
215.04861	2.6
233.03821	1.6
233.05940	20.3
245.05928	4.7
250.12831	1.5
260.73032	1.6
267.15909	20.3
285.16907	6.8
290.08173	2.2
308.09097	100.0
510.79700	1.5
559.81793	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.0
51.07295	1.0
55.05505	2.3
56.05012	1.9
57.03423	2.1
58.99586	16.7
63.50216	1.0
67.05508	5.7
69.07076	1.3
70.06580	7.3
71.03168	1.6
71.03493	1.5
72.08155	2.6
76.02227	95.5
76.03988	3.3
76.99402	1.0
79.05493	6.9
80.05004	1.4
81.03417	56.0
81.07069	6.5
83.04987	3.0
83.08144	1.7
83.08611	13.5
84.04042	2.1
84.04505	26.7
84.08139	3.1
85.02919	1.6
85.04029	3.7
85.04848	1.4
86.09685	2.4
86.99066	3.8
88.02184	1.6
91.05467	9.0
92.82002	1.3
93.04503	1.0
93.07050	3.0
95.04971	17.3
95.73895	1.1
97.02918	1.7
102.05524	1.4
105.07031	5.9
107.04963	5.1
107.08549	2.0
109.06507	1.1
110.07162	1.6
111.08091	5.7
113.03468	1.2
114.03759	1.1
116.01679	26.0
119.08570	5.7
119.37392	1.1
120.08138	2.3
121.10149	1.9
122.08223	1.1
129.07030	5.1
129.10246	3.0
130.05011	16.0
131.04552	1.9
131.08517	3.4
133.06445	1.6
133.10159	2.4
142.03218	10.8
142.07774	1.7
144.01140	11.6
145.94412	1.1
147.07977	2.2
147.11705	5.6
149.09602	3.5
157.10106	6.4
162.02206	43.2
165.12737	1.2
170.02719	4.1
170.50128	0.9
175.11177	6.3
177.03239	5.7
179.04857	95.4
187.05342	3.1
190.73087	1.0
193.12245	35.4
211.13272	3.9
215.04851	3.2
231.04265	1.3
233.05899	26.1
245.05925	3.5
267.15955	18.4
285.16943	10.0
290.07999	2.2
291.06378	2.8
306.07507	1.1
308.09097	100.0
309.09366	1.4
312.71176	1.2
327.47021	1.0
453.16382	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1601
Annotation	Rutine
Peak:m/z	Relative Intensity
53.03939	0.3
55.01860	0.3
55.05500	0.3
57.03432	1.7
59.05010	0.2
61.02915	0.5
65.03941	0.2
68.99807	0.5
69.03419	1.1
70.06600	0.2
70.07391	0.5
71.01370	0.2
71.04987	11.6
73.02901	0.5
75.04465	0.4
81.03406	0.5
83.04993	0.6
85.02896	16.1
87.04471	0.4
91.03958	0.1
93.03397	0.2
95.04967	0.2
97.02885	1.3
99.04414	0.2
109.02869	0.8
111.00803	0.9
111.04437	0.4
121.02879	0.7
123.04404	0.2
127.03902	0.8
129.05475	3.4
131.04851	0.1
135.04416	0.1
137.02328	2.8
145.04924	0.9
147.06520	1.0
149.02332	0.4
153.01805	2.8
153.02974	0.2
159.04474	0.1
161.06004	0.3
163.03923	0.6
165.01825	1.9
166.02605	0.3
173.05986	0.3
177.88928	0.1
182.25375	0.1
183.02879	0.9
183.04390	0.3
187.03963	0.3
191.03415	0.1
191.06909	0.1
195.02937	0.1
201.05460	1.5
205.05098	0.3
208.62500	0.1
213.05655	0.2
219.02876	0.1
219.06523	0.2
229.04942	3.7
233.04631	0.1
247.06078	0.7
257.04413	2.5
258.04669	0.1
274.04663	0.7
285.03925	1.1
303.04959	100.0
304.05304	1.4
305.08453	0.1
315.04883	0.2
345.05908	0.3
385.72311	0.1
465.10095	0.5
468.24911	0.1
550.84521	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4513
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
55.05502	14.6
56.60189	3.9
57.03424	5.2
57.07070	5.3
67.05508	34.5
67.50882	3.8
69.07062	12.1
70.09166	13.8
79.05491	26.7
81.07059	31.5
83.08603	7.2
87.06220	3.0
91.05492	20.3
93.07045	25.5
95.08621	25.1
96.11834	3.1
97.10145	4.2
98.21470	3.6
105.07066	18.1
107.08569	14.4
109.10159	10.2
117.06968	16.5
119.08585	15.1
121.10129	11.8
129.07028	8.1
131.08566	15.7
133.10129	10.6
135.11696	7.8
137.84644	3.8
143.08560	9.5
145.10165	17.6
147.11684	8.9
149.09682	4.2
151.40616	3.2
155.08582	6.8
157.10126	15.3
159.11699	12.8
161.13202	4.8
163.14778	3.7
165.75993	3.8
167.08620	4.8
169.10118	10.2
171.11685	7.5
173.13217	6.8
181.10141	4.6
183.11700	7.9
185.13268	9.7
195.11772	4.7
197.13295	6.1
199.14804	5.4
221.13211	4.0
223.14664	3.9
225.16682	3.3
239.17786	3.7
275.20050	10.4
447.32867	4.6
535.41626	4.9
543.36053	4.5
591.43903	13.4
609.35016	6.1
609.45087	100.0
610.45233	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66936	6.7
55.05512	16.7
55.47732	7.8
66.59232	7.9
67.05514	44.6
69.07069	16.1
71.59447	6.8
72.97261	7.5
79.05498	36.0
81.06615	11.8
81.07048	69.7
83.08599	11.1
91.05481	34.2
92.32330	6.8
93.07034	51.1
95.08614	27.7
97.10155	7.2
102.95755	6.5
105.07020	24.8
107.08590	26.1
109.10182	15.7
117.06989	11.2
119.08575	23.3
121.10153	26.2
129.07016	17.3
131.08588	21.3
133.10135	16.0
143.08595	14.7
145.10114	16.5
147.11658	11.9
155.08571	12.8
157.10133	15.6
159.11693	13.6
169.10138	21.4
171.11719	20.1
173.13290	9.4
181.10162	9.8
183.11646	17.3
185.13287	11.2
197.13242	7.5
207.11687	9.8
209.13251	9.9
275.20233	11.4
354.49924	10.0
545.52960	9.0
609.34698	18.2
609.45105	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29935	0.7
53.03933	1.8
55.01856	1.7
55.05256	1.3
55.05505	14.9
57.03424	3.2
57.07064	2.2
65.03925	1.0
67.05499	23.8
69.07063	12.7
70.36906	0.9
71.04990	0.9
71.08616	1.7
79.05482	17.6
81.07053	24.6
83.04964	1.2
83.08624	6.4
85.06535	1.4
87.63699	0.8
89.06029	1.5
91.05476	13.7
93.07034	17.2
95.04960	3.1
95.08599	21.7
97.06535	2.3
97.10148	4.4
98.20595	1.5
100.46743	0.8
105.07018	20.0
105.19115	0.7
107.04975	0.9
107.08586	11.7
109.10146	9.3
111.08043	1.4
115.05470	1.7
117.07005	8.5
119.08578	13.2
119.09351	1.6
121.10143	8.1
123.08052	0.8
123.11705	1.8
125.09631	1.7
128.06218	2.5
129.06996	10.7
130.07814	0.8
131.08569	13.2
133.08615	0.9
133.10109	12.1
135.11664	4.4
141.06943	4.9
142.07794	2.6
143.08549	13.2
144.09282	1.0
145.10118	14.0
147.11684	5.7
149.13211	2.5
153.07007	1.2
154.07739	1.1
155.08549	12.1
155.09708	1.3
156.09317	1.9
157.10121	15.3
159.11668	10.9
161.13295	3.6
163.14801	1.4
165.07062	1.3
166.07794	0.9
167.08592	5.2
168.09323	1.4
169.10114	15.2
170.10847	1.4
171.11667	14.4
173.13254	6.9
175.14832	1.6
179.08601	2.4
180.09224	1.1
181.00111	0.7
181.10132	10.0
182.10838	1.3
183.11702	16.4
184.12422	1.2
185.13272	9.7
187.14835	2.8
189.16359	1.3
191.08607	0.8
193.10190	4.1
194.10889	1.3
195.11714	11.3
196.12424	1.7
197.13255	11.6
199.14824	6.6
201.16399	1.9
202.16963	0.9
205.10179	1.1
207.11734	4.2
209.13231	9.3
211.14819	10.9
213.16428	4.5
215.18069	0.9
219.11766	1.0
221.13246	3.0
223.14824	6.1
225.16403	6.1
227.18025	2.8
229.80377	1.0
235.14790	2.0
237.16417	4.6
239.17993	3.1
241.19524	2.4
249.16455	1.6
251.17995	2.5
253.19499	2.3
257.19006	1.0
259.20721	1.1
261.16330	1.3
263.17935	1.3
265.19482	1.6
267.21146	1.2
273.21933	1.0
277.19650	1.5
279.21298	1.6
291.21112	1.1
297.22229	1.3
307.20453	1.1
313.21799	1.1
321.22021	1.6
323.23764	2.3
325.21655	1.0
327.23456	1.2
335.23862	2.2
337.25378	1.9
341.24902	1.4
349.25516	1.7
351.26935	1.9
365.28497	2.2
377.28189	1.8
379.30038	1.5
381.27759	1.0
391.30020	1.1
395.29260	0.9
433.30533	1.1
435.32281	1.1
447.32498	1.5
499.39359	2.7
517.40381	16.5
521.36688	1.0
535.41516	8.8
539.37360	1.8
553.42010	1.5
555.41754	1.0
573.43091	3.4
591.44012	16.6
592.45587	0.9
608.92780	11.5
609.45001	100.0
609.92639	1.7
610.45203	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	609.2707
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
58.55696	0.5
67.05489	1.6
69.84289	2.0
69.84706	1.5
79.05478	1.2
81.07057	1.5
91.05483	1.1
93.07037	0.8
95.08598	0.8
105.07017	0.7
107.08595	0.9
108.16557	0.6
109.06480	0.8
109.10107	0.7
117.07017	0.6
119.08565	1.3
121.10168	0.7
185.13229	0.5
237.13924	0.6
257.18793	0.6
275.20190	1.0
376.17264	0.6
377.17822	0.9
388.18225	1.0
389.18756	1.1
390.18774	0.9
391.19174	2.2
392.19730	1.4
400.17587	0.7
401.17606	0.9
404.20526	0.7
405.20752	2.6
406.21518	1.6
407.22382	2.5
415.19351	1.9
419.18085	1.3
419.22882	1.2
420.23349	0.9
421.23853	3.6
422.24573	0.9
427.19287	0.8
429.20676	2.2
430.22043	1.4
431.22916	0.7
435.21490	1.0
441.20490	0.7
443.22659	1.4
444.23163	1.0
445.19983	0.7
446.20847	0.9
447.17987	1.9
449.23331	0.7
457.23950	1.8
458.24478	0.7
459.21838	2.1
461.19928	3.9
462.20828	0.8
472.22717	1.1
473.20590	1.0
474.19803	0.7
475.21094	5.5
476.21918	4.8
477.22537	4.5
485.23456	7.1
486.20847	1.9
488.22192	0.6
489.23126	3.7
497.23779	0.8
499.21265	1.5
500.22079	1.6
502.23807	1.0
503.24579	4.6
513.22742	1.0
515.24432	6.5
521.24902	1.3
531.23901	14.8
549.24866	1.6
550.25726	3.4
559.23425	6.2
577.24426	1.2
591.25983	36.3
592.26233	1.0
609.27002	100.0
609.44666	2.6
610.27338	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	609.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92541	0.6
53.03939	1.1
55.01865	2.0
55.05252	1.1
55.05509	14.9
57.03434	3.7
57.07061	2.4
60.63265	0.6
65.03947	1.3
67.05501	25.1
67.93690	0.7
69.07064	13.7
69.38988	2.5
69.39413	3.6
71.05003	1.5
73.53282	0.6
79.05489	18.1
79.05954	1.0
81.07053	28.0
83.04978	1.5
83.08618	6.3
85.06538	1.7
87.04488	0.8
89.06019	2.2
91.05475	17.0
91.06006	1.2
93.07040	18.9
95.04974	3.0
95.08601	21.6
95.45171	0.7
97.06529	2.1
97.10167	5.5
98.21477	1.7
99.08081	0.9
105.07027	25.6
107.04957	0.8
107.08585	14.7
109.06520	1.0
109.10146	9.7
111.08074	1.3
115.05469	0.9
117.07011	10.3
119.08576	14.9
121.06499	0.9
121.10122	8.0
123.08056	1.4
123.11719	2.9
125.09639	1.8
128.06241	2.4
129.06998	10.9
130.07834	0.7
131.08560	13.7
133.08592	0.9
133.10110	13.1
135.11693	4.7
137.13271	1.3
141.06985	5.7
142.07782	4.5
143.08553	16.1
144.09348	1.1
145.10114	17.1
147.08063	1.1
147.11682	7.0
149.09619	1.2
149.13301	1.7
153.07028	1.7
154.07780	1.8
155.08553	13.7
155.09747	0.5
156.09354	2.4
157.10117	15.6
159.11691	11.8
161.13220	3.4
163.14880	1.2
165.07040	1.3
166.07826	0.9
167.08594	5.8
168.09357	2.1
169.10126	17.1
170.10825	0.9
171.11693	14.6
173.13251	7.2
175.14835	1.6
177.16396	0.9
179.08632	2.9
180.09312	1.2
181.10127	9.5
182.10878	1.4
183.11682	15.4
184.12494	0.8
185.11688	0.6
185.13235	9.2
185.14780	0.6
185.98557	0.7
187.14771	4.0
189.16382	1.7
193.10146	4.1
194.10944	0.8
195.11710	9.7
197.13254	14.6
197.15001	1.1
199.14803	6.4
201.16444	1.9
203.17946	0.9
205.10112	0.9
207.11694	3.8
208.12569	1.0
209.13260	11.2
209.15112	1.2
210.13817	1.0
211.14839	7.6
213.16443	4.6
215.56851	0.7
219.11760	1.4
221.13231	3.2
222.14368	0.6
223.14792	6.8
225.16315	5.3
227.18025	3.8
233.13388	1.0
235.14882	3.2
235.16954	0.7
237.16313	4.9
239.18050	4.1
241.19760	1.2
249.16483	1.8
251.17937	3.2
253.19574	1.0
254.09984	0.7
257.18985	1.1
263.18042	1.5
265.19525	1.0
267.21292	1.0
271.20337	0.8
275.20197	1.5
277.19489	1.3
279.21106	1.1
281.22745	1.4
285.18503	0.8
285.22098	0.9
291.21454	0.9
297.22122	1.1
307.20593	1.1
309.22043	1.1
311.23740	0.8
313.24918	0.8
321.21915	1.2
323.20331	1.0
323.23883	1.9
325.25119	1.0
327.23120	1.3
331.22769	0.9
335.23572	1.2
337.25290	1.4
341.24734	1.7
349.25336	1.4
351.26889	2.2
353.24734	1.0
363.26984	1.0
365.28479	2.6
377.28766	0.9
379.25992	1.0
379.30090	1.9
391.29944	1.1
393.31866	1.0
394.61588	0.7
405.31747	1.2
447.32562	2.0
449.33929	1.0
461.33813	1.3
465.33963	0.9
475.34595	0.9
499.39136	2.0
517.40381	15.7
535.41504	9.6
539.37463	1.9
553.42676	0.9
555.41241	1.0
573.42737	1.5
591.44049	15.1
592.44983	0.9
609.45148	100.0
610.45605	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.267
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14221	1.1
53.03954	3.1
55.01871	3.5
55.05513	17.1
57.03432	14.0
59.04992	1.2
59.35527	1.1
65.03942	1.7
67.05173	2.2
67.05505	21.5
69.03426	1.4
69.07049	6.1
70.06586	8.1
70.40757	4.4
71.05006	1.7
72.08157	2.3
73.92265	1.1
74.13618	1.1
74.93063	1.1
79.05493	58.2
81.03423	2.3
81.07052	18.2
83.04968	1.9
83.08623	4.1
84.04504	2.3
84.08134	3.7
85.02870	1.2
85.06551	2.4
86.09690	5.9
91.05470	30.7
93.07038	17.6
95.04950	5.9
95.08606	10.8
97.06496	1.5
97.10169	5.9
98.98463	12.4
99.08096	1.8
104.10741	1.8
105.07034	29.5
106.52517	1.2
107.04955	33.6
107.05627	2.5
107.08592	62.3
108.05241	1.2
109.06562	5.7
109.10134	6.1
110.07153	1.7
111.04346	1.1
111.08082	3.0
115.05448	2.8
117.07034	9.1
119.04921	1.6
119.08579	14.8
121.02878	4.0
121.06517	3.1
121.10127	9.8
123.08035	1.7
123.11771	1.8
125.09637	8.2
129.06992	3.7
131.04910	3.2
131.08595	10.5
133.06485	4.6
133.10153	12.0
135.08051	2.8
135.11650	3.0
141.06963	1.3
143.08585	2.7
145.06471	4.4
145.10117	10.4
147.11693	7.2
149.05893	1.6
149.09618	12.2
153.09097	2.4
155.01039	1.6
155.08589	1.4
157.06522	3.1
157.10153	2.8
159.08093	1.5
159.11681	7.4
161.13248	3.2
163.11247	2.7
169.06511	1.5
169.10149	1.3
171.11636	2.6
173.13266	2.8
175.14830	2.3
177.12744	2.0
181.06384	1.5
181.12253	1.6
183.11690	1.8
184.07385	2.4
185.13214	3.0
189.11201	10.6
203.14272	1.8
211.07465	1.5
218.07291	1.5
219.17419	14.6
229.19368	1.5
239.17900	3.9
247.07426	1.1
255.89635	1.3
256.27304	1.2
257.18906	8.3
260.08200	1.4
275.20056	45.6
276.20035	1.9
331.22766	2.3
335.07306	1.8
349.23727	100.0
547.21417	2.0
584.24939	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.9
55.01864	6.4
55.05509	10.5
57.03448	21.3
65.03928	3.1
67.05507	20.0
69.03404	2.9
69.07063	6.6
70.06588	16.0
70.94844	6.9
71.04977	4.4
72.08154	2.6
79.05499	24.6
81.03419	4.1
81.07056	18.8
83.04984	4.6
83.08614	5.0
84.04492	4.5
84.08128	5.9
85.02910	5.5
86.09709	9.5
91.05465	37.4
93.07041	27.8
95.04959	10.8
95.08609	17.4
97.10149	4.3
98.98485	13.5
99.08121	3.7
103.05488	8.6
105.07035	32.1
107.04960	68.3
107.08598	15.5
109.06522	6.9
109.10195	6.4
110.07190	4.1
115.05434	9.6
117.07024	24.4
119.04935	2.9
119.08565	23.2
120.08092	3.1
121.02843	13.3
121.06482	6.9
121.10137	8.8
123.04431	3.9
123.08051	3.2
124.18389	3.0
128.06192	7.5
129.07014	19.6
129.10229	4.0
131.04942	18.2
131.08606	19.5
133.06511	21.0
133.10156	14.1
135.08049	7.6
135.11658	5.9
141.06992	5.2
143.08582	6.2
145.06487	35.9
145.10132	11.3
147.04388	2.8
147.08041	6.5
147.11699	6.6
149.06013	3.9
149.09601	3.9
155.08597	3.7
157.06494	31.2
157.10136	3.6
159.08069	9.2
159.11702	7.9
161.06003	5.0
161.13268	3.8
165.07036	5.1
169.06458	21.0
171.08031	4.9
172.95250	3.2
173.05983	7.2
173.13326	4.0
175.07550	4.2
178.07782	4.6
179.08524	4.9
181.06471	3.7
182.07202	3.2
184.07338	4.4
185.05952	3.9
185.13268	9.0
187.07549	4.0
190.96402	3.2
191.08546	4.4
195.08124	5.1
197.05917	5.5
197.13220	2.9
199.07506	6.9
201.16463	3.6
201.26927	2.6
203.14334	5.3
207.08055	6.4
209.05975	2.9
211.07471	12.5
219.08084	7.6
219.17412	34.9
221.09659	4.7
223.07573	7.2
225.09047	4.0
231.07944	3.7
233.09619	3.5
235.07556	7.4
237.09059	9.9
243.07980	3.5
247.07509	4.8
249.09009	9.6
253.15704	2.6
257.19052	5.0
259.07748	3.4
261.09155	9.2
271.54623	3.2
275.10471	3.4
275.20056	38.7
285.09241	4.4
293.14148	6.6
307.11081	3.1
313.12241	3.4
337.12210	4.3
349.23737	100.0
353.11798	3.9
355.13284	4.3
357.14761	12.1
365.11774	3.3
367.13248	5.7
381.14987	7.3
393.14587	4.1
394.15646	3.4
417.17163	2.9
529.20007	5.9
547.20892	9.4
609.19489	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	609.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.7
53.03933	1.2
55.01873	1.7
57.03415	0.3
62.20264	0.3
65.03922	0.6
67.05501	0.9
69.07066	0.4
69.55564	1.6
69.55997	1.2
70.06590	0.8
77.03924	0.3
79.05487	2.7
81.07053	1.1
83.31087	0.3
91.05482	3.3
93.07027	0.8
95.04954	3.0
98.98479	0.6
103.05477	1.7
105.07030	2.0
107.04951	100.0
108.05287	0.8
109.06483	0.5
115.05431	2.2
117.07010	3.5
119.04911	0.7
119.08594	0.9
121.02866	12.3
121.06522	1.1
129.07001	2.3
131.04921	7.6
131.08525	2.4
133.06470	3.3
135.08031	2.5
141.06987	1.3
145.06476	15.0
147.08049	2.6
149.19101	0.4
152.06241	0.7
153.07008	1.5
154.07704	0.4
155.06039	1.1
155.08598	0.7
157.06474	2.9
159.08038	6.8
159.09241	0.5
161.09602	0.4
165.06972	2.3
166.07819	0.4
167.08549	2.1
168.05797	0.4
169.06502	1.6
171.08072	1.6
173.05942	4.3
175.07549	2.8
176.06323	0.4
177.07005	0.6
178.07765	1.0
179.08582	1.9
181.06450	3.3
181.10170	0.4
182.07289	0.9
183.08122	1.7
187.07532	1.0
189.07123	0.4
189.09152	1.6
190.07767	0.4
191.08582	0.5
193.06468	1.0
194.07275	2.3
195.08043	4.7
197.05980	3.7
197.09628	0.6
198.06706	0.4
199.07472	2.6
201.09155	0.4
202.07797	0.7
203.08574	1.0
205.06500	0.8
207.08002	2.7
209.05965	0.9
209.09695	0.4
210.06775	1.6
211.07523	10.3
211.09465	0.7
213.05392	0.4
213.09094	3.0
219.08051	1.7
219.64388	0.3
221.06027	1.0
221.09702	0.7
222.06793	0.7
223.07544	5.3
224.08296	1.3
225.05472	0.8
225.09042	2.8
227.07008	0.9
231.08055	1.2
233.09631	0.7
235.07565	2.8
235.11150	0.4
236.08322	2.4
237.09120	2.1
239.07031	1.4
241.08638	1.5
245.09666	0.8
247.07590	0.5
249.09129	1.2
250.06227	0.8
251.07004	1.3
253.08615	1.3
255.10193	0.4
257.09686	0.5
261.09171	0.9
267.06470	0.4
271.07623	1.4
272.08405	1.0
273.09137	0.8
275.20059	0.7
285.11398	0.5
289.08621	0.9
290.09369	2.5
349.23697	2.2
357.14841	5.2
369.14893	0.7
371.12772	8.8
383.12653	0.6
385.14276	0.5
387.15854	1.2
396.13470	0.8
397.14368	1.2
401.13852	1.0
413.13950	1.0
414.14807	0.8
415.15399	1.1
427.15305	1.0
443.15311	0.6
444.15668	17.5
445.16113	1.9
492.29962	0.4
517.20209	4.2
529.20001	1.0
547.21149	28.3
548.21466	0.9
559.20599	0.4
577.22192	10.7
578.22803	0.5
609.24792	12.2
610.24042	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	5.1
55.01862	11.9
55.05501	11.8
57.03434	11.6
60.98924	4.3
63.11959	4.8
67.05487	16.1
69.07066	12.8
70.06576	13.9
71.58974	5.4
72.08170	7.2
79.05492	25.1
81.03415	9.7
81.07047	18.3
84.08118	7.4
86.09699	10.6
91.05470	47.4
93.07034	21.7
95.04961	10.6
95.08604	15.0
98.98471	34.1
100.11245	4.9
103.05441	9.5
104.10740	5.6
105.07030	43.3
107.04959	100.0
107.08596	11.1
109.02856	6.4
109.06498	10.0
115.05454	14.6
117.07037	26.2
119.04946	22.5
119.06091	4.3
119.08556	20.0
121.02853	16.3
121.06506	10.0
123.91147	5.0
128.06206	12.9
129.06995	26.3
131.04927	47.3
131.08546	18.8
133.06499	63.2
133.10065	10.5
135.08066	7.6
141.06993	10.4
143.08546	7.9
145.06477	49.7
145.10147	6.8
147.04437	7.3
147.08073	4.6
149.05951	13.6
149.09531	6.9
152.06236	5.5
153.06888	6.4
155.08527	10.5
155.19637	4.1
157.06502	37.6
159.08017	26.5
159.11697	8.4
161.09599	12.1
165.06992	10.5
167.08543	10.2
169.06516	25.2
171.08084	23.2
173.05975	18.2
178.07776	8.0
179.08464	8.0
181.06445	16.3
183.08070	15.8
184.07367	15.7
185.05846	5.8
185.09625	8.8
185.13268	8.3
187.07494	4.8
189.09114	4.7
195.08083	23.7
197.05960	14.5
197.09647	9.1
199.07562	21.5
207.08058	9.6
209.06041	4.6
211.07570	32.2
213.09084	15.4
215.08646	7.7
219.08029	10.6
219.17426	22.3
221.05867	5.4
221.09677	5.8
223.07512	23.7
225.09021	12.9
231.08032	10.3
234.06903	5.8
235.07608	20.6
237.09073	11.4
239.18001	5.9
247.07648	12.8
249.09094	9.4
253.08591	11.1
255.10194	12.7
257.19034	5.9
261.09158	15.3
268.08627	5.7
275.10666	4.9
275.20120	23.4
287.10718	5.6
289.12177	6.0
311.10721	5.1
313.12424	4.4
329.11502	6.7
335.07367	5.2
341.11710	5.2
349.23740	66.0
353.11496	6.4
355.13373	8.1
361.12128	5.6
371.12454	10.4
379.13223	10.5
499.19037	10.4
511.18823	10.1
517.20099	10.8
529.20044	23.6
541.19867	13.8
547.20911	16.7
559.21069	16.9
561.22559	8.2
573.22449	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	609.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59008	3.5
53.03931	3.5
53.22473	3.1
54.72816	2.9
55.01863	7.1
55.05500	11.0
57.03438	24.7
65.03915	3.8
67.05496	19.5
69.07064	7.8
69.37997	25.8
70.06580	11.6
71.05003	5.3
76.81557	3.6
79.05485	41.7
81.03397	7.3
81.07052	25.4
81.15504	3.2
83.04957	3.6
83.08622	4.2
84.04507	4.1
84.08109	5.0
85.02882	12.2
86.09699	5.7
90.66119	3.1
91.05472	55.9
93.07032	27.9
95.04944	14.7
95.08589	13.5
97.06544	3.9
98.98466	13.1
103.05444	14.5
105.07019	39.4
107.04944	50.2
107.08586	17.3
109.06520	8.2
109.10141	7.8
115.05462	25.0
116.06195	3.9
117.07008	37.7
119.04960	4.8
119.08574	25.8
121.02821	3.6
121.06486	10.1
121.10114	10.2
123.04386	10.2
128.06210	19.6
129.07001	69.0
131.04926	23.8
131.08569	31.1
133.06447	23.2
133.10114	15.2
135.04430	3.1
135.08034	5.6
137.05936	5.7
141.06976	24.8
143.08559	9.4
144.05754	5.7
145.06480	80.8
145.10115	9.0
147.04399	13.9
147.08022	14.0
147.11656	5.8
149.05984	5.7
149.09567	4.6
152.06155	3.6
153.06999	7.1
155.08537	7.3
157.06482	85.8
157.10028	5.0
159.08083	26.5
159.11681	10.9
161.05876	5.2
161.13284	3.5
165.07013	10.2
167.08513	8.0
168.05801	3.2
169.05180	5.4
169.06474	61.5
169.10092	4.0
171.08046	14.0
173.05959	14.1
178.07762	7.6
179.08568	10.7
181.06480	9.1
181.10243	3.8
183.08047	9.3
184.07329	5.8
185.05991	5.3
185.13232	10.0
187.07487	10.4
189.06958	7.0
190.07666	5.3
191.08560	6.0
193.10132	4.8
194.07243	8.1
195.08023	12.5
197.05960	12.7
199.07526	10.3
201.16267	3.8
202.07787	8.2
203.06926	4.5
203.08607	7.9
203.14372	4.5
205.06468	6.1
207.08018	9.4
209.05984	5.1
209.09685	8.1
210.06804	5.0
211.07527	35.8
213.09114	6.1
215.08591	4.6
218.07288	6.1
219.08035	23.5
219.17441	39.1
220.08894	4.0
221.09499	5.1
222.06711	5.0
223.07500	14.5
225.09058	6.4
228.09338	4.2
231.08073	17.8
232.08902	5.3
233.09480	10.1
235.07515	35.6
236.08391	4.8
237.09102	32.7
239.17896	5.1
244.08900	3.6
247.07561	16.8
249.09200	17.0
250.09673	4.5
257.18906	8.3
259.07471	4.7
261.09082	24.2
262.09863	7.4
263.10760	4.9
268.08661	4.0
273.09183	4.1
275.20050	31.6
287.10562	5.9
293.09622	4.2
294.10205	5.4
298.09637	5.5
299.10590	5.0
305.09610	4.2
306.10471	6.0
307.11050	8.1
310.09857	4.9
311.10663	3.9
313.12308	5.9
321.09036	4.0
321.12656	5.1
322.09830	6.1
323.10464	7.4
337.12247	10.1
339.13568	7.3
341.11752	6.9
349.12048	6.9
349.23727	100.0
353.11536	11.5
355.13327	28.6
357.14969	38.9
359.10574	5.0
365.15424	4.5
367.13406	20.4
369.14905	6.9
379.13297	9.4
381.14816	33.1
387.15863	5.3
393.14838	11.9
394.15778	3.8
397.14297	7.3
405.14786	5.6
451.17056	3.6
487.19324	6.2
499.19324	7.6
511.18634	7.2
529.20135	21.7
531.19080	4.1
547.21228	8.7
561.38446	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1809
Annotation	Diosmin 
Peak:m/z	Relative Intensity
53.03931	0.4
55.01860	0.2
55.05500	0.3
57.03431	1.7
61.02934	0.6
69.03419	0.8
70.08500	0.7
71.01334	0.1
71.04987	8.0
72.77631	0.1
73.02907	0.3
75.04454	0.2
79.77514	0.1
81.03399	0.4
83.04975	0.7
85.02898	11.7
87.04441	0.3
91.03938	0.3
95.04933	0.3
97.02885	1.1
99.04468	0.3
107.04960	0.8
109.02836	0.3
111.04428	0.2
111.56105	0.1
120.41961	0.1
121.02853	1.7
121.03712	0.2
123.04359	0.3
124.01523	0.2
125.02316	0.3
126.12943	0.1
126.88964	0.1
127.03902	0.4
129.05469	2.2
133.02866	0.3
138.11977	0.1
145.04967	0.5
147.04391	0.3
147.06517	0.5
151.03873	0.6
167.03392	2.2
179.03339	1.1
197.04401	0.5
199.07465	0.2
207.55479	0.1
212.04680	0.3
213.05356	0.2
227.07001	0.6
245.08018	0.2
255.06590	0.3
257.04443	0.2
258.02515	0.2
258.05222	3.9
272.06848	0.6
273.07153	0.1
286.04691	3.5
301.07028	100.0
302.07394	1.5
419.20740	0.2
463.12009	0.3
496.79114	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97377	1.4
53.03939	2.7
55.01859	4.1
55.05503	1.5
57.03433	3.6
67.05499	3.7
69.07056	1.7
70.06587	9.0
70.52409	4.3
72.08141	2.4
79.05486	6.3
81.03402	1.4
81.07040	4.6
84.08125	3.5
86.09717	9.0
91.05436	7.4
93.07020	4.9
95.04948	4.0
95.08611	1.5
98.20798	1.9
98.98475	3.0
99.44077	1.4
103.05482	2.8
104.10744	2.6
105.06475	1.5
105.07056	14.9
107.04961	100.0
107.08552	2.7
109.06540	1.7
110.07175	1.8
115.05457	4.1
117.07003	5.2
119.04926	5.2
119.08572	3.2
121.02869	9.3
121.06529	6.7
125.00006	3.3
128.06221	2.2
129.07001	5.5
129.10205	1.8
131.04948	14.1
131.08582	4.7
133.06500	47.9
135.08040	1.7
141.06979	1.7
145.06503	11.3
145.10107	2.3
147.04402	1.4
147.08060	2.6
149.05983	2.2
151.51443	1.5
152.49886	1.5
152.51048	1.5
157.06544	10.9
159.08043	3.8
161.05939	2.5
161.09612	2.4
163.07619	2.1
165.07065	1.9
169.06480	3.5
171.08049	2.7
173.05981	6.0
175.07625	1.7
181.06396	1.6
184.07401	16.0
187.07561	2.8
191.08679	1.9
195.08127	2.0
202.07805	3.5
203.08582	2.7
205.10207	2.8
207.08105	3.7
211.07448	2.6
215.08595	2.7
217.10213	2.3
218.07285	1.8
219.08086	11.1
219.17520	2.4
221.09384	2.6
223.07553	3.2
231.08072	4.8
232.08783	2.8
233.09624	4.5
234.06732	1.7
235.07510	6.4
237.09117	2.8
243.08064	2.6
245.09674	7.8
247.07562	19.8
248.08284	3.5
249.09113	5.7
255.08025	2.1
257.09811	1.7
258.06845	1.8
260.08313	2.5
261.09146	11.7
273.09122	10.0
275.20023	3.9
277.08713	2.3
279.10098	3.4
285.09137	2.0
297.08896	1.8
305.11850	3.5
323.10709	1.6
324.11499	1.6
335.10651	2.6
337.12088	1.9
339.13635	1.8
341.11588	1.5
349.12009	3.6
349.23682	8.2
351.09863	1.8
351.13760	1.9
353.11826	3.4
355.13300	2.7
365.11700	2.9
367.13412	16.4
371.12814	2.4
379.13275	2.3
385.14511	2.2
393.15033	2.7
397.14355	2.9
399.15985	13.2
405.14746	2.0
411.15952	1.9
444.15491	1.5
453.16953	1.9
499.18988	3.8
500.19089	1.4
511.18994	1.8
517.20081	3.9
529.19684	1.6
594.81256	1.8
609.21826	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	608.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.8
55.01847	0.6
55.05272	0.6
55.05513	8.8
56.05025	1.0
57.03442	6.1
57.07058	0.5
58.06591	0.5
61.02921	0.9
65.03931	1.6
67.05506	29.5
68.05038	0.7
68.56589	0.5
69.03394	0.5
69.06726	0.7
69.07066	7.8
69.38613	2.4
69.39048	2.4
70.06570	0.5
71.04977	0.9
79.05492	16.6
81.03408	0.6
81.07057	27.1
82.07388	0.6
83.04964	1.1
83.08607	2.7
85.02905	0.6
85.06545	0.9
86.06085	3.7
87.38916	0.5
91.05495	7.1
93.07050	17.0
94.06545	1.0
95.04979	4.3
95.08607	20.9
95.54806	0.7
97.06516	1.4
97.10132	0.9
98.06024	0.6
99.08125	0.6
102.23210	0.5
105.07027	4.5
107.08591	7.6
109.06519	1.2
109.10162	6.9
117.07015	1.8
119.08608	3.3
119.27384	0.5
121.10143	6.5
122.06027	9.5
123.11690	1.6
131.08533	2.4
133.10132	2.5
135.11685	3.4
140.07098	1.2
145.10127	1.2
147.11668	1.1
149.13255	1.3
158.08134	10.0
161.13203	0.9
176.09161	3.0
220.03699	21.6
233.92619	0.6
238.04752	2.9
256.05884	1.0
261.22028	1.0
274.06827	2.2
335.25800	100.0
336.26437	2.7
482.57071	0.6
536.27393	0.8
608.38538	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27406	0.9
55.05511	7.5
57.03423	1.7
57.06825	1.3
57.07077	17.1
59.04994	2.8
65.03925	1.7
67.05507	56.9
69.07071	5.3
70.11088	3.0
71.04993	1.2
71.08634	14.9
79.05487	3.3
79.94022	0.8
81.07064	18.0
83.08621	8.3
85.06525	1.4
85.10178	7.8
91.05476	4.1
93.07036	3.4
95.08611	13.6
97.10163	2.4
98.98481	0.9
103.10742	0.9
105.07052	1.3
107.08615	1.9
109.10159	43.4
111.08076	1.9
119.08568	4.5
120.06830	0.9
123.11718	2.0
137.09590	1.7
141.06923	1.2
155.10625	1.9
159.94102	0.8
173.11743	8.5
180.13782	4.5
198.14906	7.0
229.14320	2.6
239.23665	2.1
239.58572	0.9
260.31903	0.9
278.11462	2.0
282.27988	2.0
296.12781	1.2
298.79889	1.0
313.27353	3.7
341.26578	0.9
352.15161	3.6
467.37357	100.0
468.37808	4.8
590.38159	4.5
608.43921	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	608.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.8
55.74962	0.5
56.04998	0.6
57.03418	0.5
65.03904	0.9
66.04685	0.6
69.03391	1.0
69.22739	0.4
69.37423	2.8
69.37830	1.4
70.06591	2.7
72.08117	1.0
74.02439	0.4
79.05459	1.1
80.05037	0.8
81.03426	2.8
84.04478	0.6
84.08089	0.7
85.02878	1.3
86.09709	0.7
86.98304	0.5
87.04464	0.7
89.06003	2.2
90.04668	0.9
91.05472	19.6
93.06991	1.5
95.04933	0.9
97.02883	10.3
98.21532	1.1
102.47990	0.5
103.04774	0.7
103.05450	9.1
105.03374	0.9
105.07003	0.9
107.04946	11.4
108.39334	0.5
109.02866	4.5
118.04148	6.5
118.06516	3.0
119.04933	1.0
119.07298	0.5
120.08097	10.0
127.03905	4.4
129.10194	0.6
131.04938	5.5
133.08545	1.9
135.04349	1.3
146.06001	32.7
147.04390	3.7
148.07550	2.8
164.07057	57.8
165.07344	0.6
167.90654	0.5
175.03818	1.0
188.07010	0.7
192.06538	78.6
193.06924	1.6
210.07599	100.0
211.07933	1.4
272.08939	0.6
308.11047	0.6
318.09741	6.4
336.10757	37.6
337.10843	1.0
354.11816	23.0
355.12354	0.6
433.00745	0.5
433.86127	0.5
460.16052	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	608.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.3
51.43607	0.2
53.03936	0.7
53.24518	0.2
69.03413	0.6
70.06584	0.6
70.69733	0.8
71.04984	0.4
72.08120	0.3
77.10330	0.2
79.05480	0.9
85.02872	1.1
86.06058	0.4
95.04959	1.2
97.02890	0.2
98.97599	0.3
99.04441	0.8
107.04946	100.0
108.05273	1.5
108.87069	0.2
109.06490	0.5
111.28013	0.2
117.05468	0.9
121.23731	0.2
127.03951	0.5
133.06502	0.6
135.06506	1.2
145.04953	0.6
148.07574	0.8
149.07953	0.3
150.09149	1.1
170.39398	0.3
174.86186	0.2
188.09233	0.5
204.08609	0.4
206.10278	1.8
252.70313	0.2
312.14685	0.3
327.84323	0.3
449.58044	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.0
51.14344	0.7
53.03931	1.7
55.01866	2.9
55.05505	14.8
55.76157	0.7
57.03431	4.1
57.07065	2.5
65.03931	1.6
67.05499	25.6
67.96191	0.6
69.07063	11.7
71.05000	1.6
71.08616	0.7
71.59047	1.2
73.02918	1.0
73.97851	0.6
79.05052	1.3
79.05488	19.4
79.05949	1.0
81.07050	24.6
83.04962	1.8
83.08614	8.4
85.06537	1.6
87.04467	1.3
89.06025	3.0
91.05473	18.6
93.07035	19.3
95.04961	5.1
95.08601	20.0
97.06508	3.4
97.10156	3.5
99.08051	0.9
103.05437	1.1
105.07021	18.9
107.04947	1.8
107.08581	12.1
109.06495	2.3
109.10144	8.4
111.08105	0.9
115.05453	1.8
117.07005	9.9
119.07775	1.6
119.08569	14.7
121.06498	0.9
121.10135	8.2
123.08055	1.6
123.11690	2.6
125.09637	2.1
128.06213	2.5
129.06985	10.2
130.07764	0.7
131.08540	12.0
131.09468	0.6
133.08603	1.0
133.10121	9.5
135.08067	1.1
135.11665	3.8
139.11203	1.0
141.06960	5.7
142.07751	2.6
143.08548	12.8
144.09390	0.7
145.10107	12.4
147.11646	6.3
149.09586	0.8
149.13219	2.2
153.07016	3.0
154.07785	1.6
155.08543	10.0
156.09364	1.6
157.10120	11.0
159.08051	0.9
159.11688	8.1
161.13290	3.2
163.11214	1.7
163.14810	0.9
165.06982	2.3
166.07794	1.7
167.08560	8.8
168.09355	2.1
169.10112	12.5
170.10811	0.8
171.11664	9.9
173.13235	4.1
175.14885	1.5
177.12682	1.0
178.07806	1.3
179.08536	5.1
180.09383	2.7
181.10085	11.8
182.10904	2.0
183.11696	12.2
185.13251	7.5
187.14815	2.2
191.08557	1.1
192.09250	1.0
193.10121	7.0
194.10974	2.2
195.11678	12.7
195.13358	1.0
196.12445	1.5
197.13261	9.4
199.14787	4.4
201.16362	1.2
203.08582	0.8
205.10196	2.4
207.11684	7.4
209.13225	12.0
210.14101	0.9
211.14825	6.8
213.16435	2.5
215.18016	0.8
217.10133	1.1
218.10953	0.9
219.11713	2.1
220.12408	1.1
221.13245	5.3
223.14821	7.4
225.16402	4.6
227.12808	1.0
227.18166	1.1
231.11746	1.0
233.13277	3.0
235.14825	5.3
237.16351	6.4
239.18033	3.5
241.19606	1.8
245.13225	1.3
247.14853	2.2
249.16344	3.4
251.17978	4.3
253.19797	1.1
257.18930	1.5
259.14905	1.0
261.16336	1.6
263.17850	3.4
265.19592	1.7
269.19257	1.0
275.20276	3.7
277.19376	1.9
281.19070	0.8
291.20999	0.9
293.19006	0.8
295.20682	1.0
297.22095	1.2
305.22433	1.3
309.22128	1.1
311.20081	0.9
313.21426	0.8
319.20651	1.5
321.22202	2.0
323.20044	0.9
323.23700	1.1
325.21640	1.3
327.23077	1.1
333.22180	0.8
335.23746	1.7
339.22961	0.8
347.23547	1.1
349.25195	2.5
351.27100	1.2
359.23877	1.4
361.25284	1.6
363.26862	1.9
365.24689	1.3
375.26892	1.2
377.28549	1.3
379.26257	1.5
389.28256	1.6
391.30164	1.5
403.30206	1.7
407.29745	0.8
417.31839	1.0
421.31177	1.0
423.29031	1.0
433.30930	1.1
435.32639	0.9
445.30865	2.5
459.32355	0.9
461.34570	1.1
463.31531	0.9
497.37686	1.7
515.38739	12.0
533.39813	6.8
537.35553	2.9
538.36163	1.2
551.40515	3.2
571.41589	1.8
587.90399	0.7
589.42419	10.6
607.43536	100.0
608.44037	1.6
612.54846	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.3
53.79013	0.6
55.01865	4.0
55.05507	17.3
57.03445	4.3
57.06821	0.6
57.07066	4.7
65.03932	2.3
67.05501	32.9
69.03413	2.9
69.06715	1.1
69.07065	16.1
70.04070	1.3
70.06591	1.7
71.04993	2.4
71.08612	1.9
71.60634	1.2
72.08146	0.8
73.02927	0.7
79.05491	22.3
79.18180	0.6
81.02982	0.8
81.03417	8.9
81.07052	33.7
83.04979	3.9
83.08611	7.2
85.06533	2.0
87.04462	1.0
89.06018	5.5
91.05476	25.9
93.07038	22.9
95.04959	6.1
95.08601	22.3
95.09178	0.7
97.02856	1.7
97.06514	4.3
97.10157	2.7
99.08103	1.2
103.05477	1.6
105.07024	23.8
107.04939	2.5
107.08589	14.4
109.02866	2.0
109.06524	3.0
109.10150	8.3
110.03477	0.8
111.04410	1.4
111.08072	1.9
115.05463	2.0
117.07005	10.6
119.08584	15.0
121.06499	2.0
121.10120	8.0
123.08082	2.1
123.11685	3.4
125.09592	1.8
128.06241	2.6
129.06990	9.8
130.07779	0.6
131.08560	14.0
133.06516	1.1
133.08585	2.2
133.10121	10.3
135.08060	1.1
135.11682	5.1
137.09621	1.3
141.06956	5.6
142.07771	2.8
143.08548	13.7
145.06471	1.0
145.10115	12.8
147.08060	1.1
147.11670	6.6
149.09647	2.3
149.13254	3.9
151.11186	0.7
152.06129	0.8
153.07002	2.5
154.07785	2.3
155.08553	9.3
156.09378	1.4
157.10121	11.0
157.11302	1.1
159.08047	1.1
159.11681	7.3
161.09518	0.9
161.13264	2.7
163.11201	1.6
163.14857	1.0
165.07030	2.6
166.07837	1.6
167.08533	7.8
168.09370	2.0
169.10130	13.5
170.11017	0.9
171.11661	7.6
173.11836	1.3
173.13208	6.0
175.14861	1.0
176.10515	0.7
177.12738	1.4
178.07784	0.8
179.08543	5.1
179.14355	1.0
180.09346	2.1
181.10114	10.6
182.10927	2.0
183.11670	12.5
185.13237	7.0
187.14812	2.6
191.08578	1.0
192.09348	1.2
193.10126	5.8
194.10876	1.6
195.11703	12.6
195.13774	2.2
196.12502	1.0
197.13240	9.1
199.14854	3.2
201.16415	1.9
205.10208	2.3
205.15948	0.8
206.10841	1.3
207.11705	7.7
208.12508	1.3
209.13255	10.5
211.14786	6.9
213.16422	2.7
217.10023	1.0
218.10931	0.8
219.11633	2.3
220.12579	0.7
221.13223	4.8
223.14813	7.2
225.16385	3.3
227.18135	1.0
231.11734	1.1
233.13278	2.4
235.14818	3.2
237.16362	4.7
239.17953	2.6
241.19553	1.2
245.13297	0.9
247.14819	1.4
249.16417	2.6
251.00705	0.8
251.18013	3.5
253.15683	1.0
253.19574	1.5
255.17494	1.1
257.19070	1.0
259.20670	2.1
261.16327	1.0
261.18826	0.8
263.17953	1.5
265.19598	2.3
267.21112	1.1
269.17355	0.8
273.18741	1.6
275.20236	5.0
279.20981	1.1
285.17581	0.6
291.21008	1.0
295.20493	1.0
297.22147	0.9
313.21667	0.9
315.23303	1.3
317.22522	0.8
319.20694	1.3
321.17480	0.8
321.21994	1.3
323.23630	0.8
327.22980	0.9
333.22107	1.4
335.23541	1.8
337.25244	1.0
339.18112	1.5
339.23300	1.8
347.23776	1.8
349.24997	1.5
353.24634	1.2
361.25296	0.9
363.26917	1.8
371.25455	0.8
375.26639	0.8
377.28461	1.7
379.26080	1.0
381.27921	0.8
389.28494	1.1
391.30093	1.2
395.20755	1.2
395.29593	1.4
405.27441	0.9
407.29639	1.2
421.30905	1.7
431.29742	1.3
445.30655	1.7
447.32614	1.3
463.30933	2.3
495.34750	0.9
497.38464	1.5
509.36194	1.5
515.38831	11.4
533.40009	6.5
537.35553	2.0
538.36395	0.9
551.40576	3.2
571.41412	1.6
589.42523	6.3
607.34784	9.6
607.43494	100.0
617.84540	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
54.15639	0.6
55.01855	3.2
55.05508	17.1
57.03439	3.4
57.07064	2.2
65.03925	2.1
67.05497	34.4
69.03410	3.0
69.07062	15.1
71.04984	2.9
71.08609	0.8
71.60657	0.7
75.81605	0.6
77.77849	0.7
79.05488	23.8
81.03417	9.0
81.07049	33.7
83.04967	2.9
83.08611	9.2
83.61215	0.6
85.02883	1.8
85.06519	2.2
85.10188	1.4
89.05981	0.7
91.05470	24.3
93.07034	26.6
95.04971	5.4
95.08598	22.7
95.09219	0.8
97.02889	1.6
97.06507	4.5
97.10159	4.0
97.10701	0.6
105.07018	23.1
107.04950	2.8
107.08582	15.8
109.02863	1.4
109.06522	2.9
109.10132	10.2
111.04408	0.9
111.08089	1.7
115.05455	1.5
117.06989	9.9
119.08567	14.7
119.09351	1.2
121.06506	1.7
121.10119	10.2
123.08057	1.6
123.11697	3.5
125.09625	1.9
127.03921	1.5
127.70721	0.7
128.06189	3.3
129.06995	9.1
130.07756	1.5
131.04938	0.7
131.08543	13.8
132.07039	0.7
133.06432	1.1
133.10109	12.0
135.08035	1.3
135.11690	5.3
137.09618	0.8
137.13258	0.9
141.06970	5.0
142.07794	2.9
143.08537	10.9
145.06491	0.8
145.10098	12.6
147.08066	0.9
147.11682	8.7
149.09642	1.2
149.13254	3.5
153.06961	1.7
154.07764	2.1
155.08539	10.1
156.09332	1.8
157.10103	10.7
159.08063	0.8
159.11693	10.5
161.09630	0.8
161.13260	4.1
163.11151	1.3
165.06990	3.6
165.12732	0.9
166.07803	2.0
167.08545	8.2
168.09360	2.0
169.10104	14.8
170.10898	0.8
171.08049	1.0
171.11676	11.1
173.09668	1.0
173.13239	5.4
175.14844	1.4
177.12744	1.9
178.07802	0.8
179.08492	5.9
180.09277	1.3
181.10123	10.1
182.10881	2.1
183.11676	13.3
185.09657	1.0
185.13258	5.9
187.14830	2.8
191.08640	1.2
192.09297	1.0
193.10153	5.3
193.11810	0.8
194.10826	1.3
195.11684	10.6
195.13666	1.6
196.12379	1.0
197.13246	8.5
199.11417	0.8
199.13214	1.0
199.14839	3.0
201.16397	2.0
203.14307	0.8
205.10175	2.5
206.10930	1.5
207.11693	6.4
208.12517	1.1
209.13229	10.9
209.15053	1.0
211.14799	5.9
213.14597	0.9
213.16414	2.3
218.10803	0.9
219.11726	2.2
221.13264	5.5
222.13947	1.1
223.14812	8.2
225.16333	4.2
227.18019	1.3
233.13329	2.3
235.14850	4.4
237.16397	6.3
239.17908	3.4
241.19470	0.9
247.14832	1.1
249.16362	2.7
251.17908	3.6
253.19574	1.7
257.19092	1.2
259.20572	1.4
261.16385	1.3
263.17999	1.9
265.19556	1.7
267.15854	0.8
273.18570	1.0
275.20178	4.8
277.19254	1.4
279.21167	1.1
293.19113	0.8
297.21982	0.9
303.20844	0.9
307.20786	1.0
309.22055	0.8
313.21805	1.0
319.20624	1.1
321.22009	1.6
323.23526	1.2
325.21732	0.7
334.22934	0.8
335.23856	1.9
337.25232	1.0
339.18103	1.9
339.23300	0.9
347.23834	0.9
349.25247	1.1
353.24512	1.5
363.26703	2.0
365.24536	1.4
375.26749	1.4
377.28384	1.3
379.25848	1.2
389.28198	1.6
391.30017	1.0
393.28094	1.1
395.20776	1.1
403.30142	0.9
407.29330	1.2
419.29156	1.1
421.30811	1.1
445.30057	2.5
445.35834	1.4
447.32181	1.2
463.30731	2.0
473.34000	1.0
497.37653	1.3
499.17001	0.9
515.38940	9.3
533.39874	9.1
537.36047	1.7
538.36469	2.0
551.41077	5.1
571.41528	1.7
589.34204	0.8
589.42596	8.0
607.34705	10.1
607.43463	100.0
608.43597	2.5
622.90198	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.5
52.26559	1.3
53.03933	5.4
54.59070	1.2
55.01863	5.0
55.05257	2.0
55.05507	26.1
57.03424	4.7
57.07061	5.4
57.28246	1.2
65.03924	4.2
67.05500	50.3
69.03432	6.5
69.06716	2.6
69.07064	30.9
70.04067	4.7
70.07403	2.3
71.04978	6.7
71.59442	2.8
79.05050	2.5
79.05487	33.3
81.03412	18.4
81.07051	50.5
83.04967	6.0
83.08608	13.0
84.09653	1.3
85.02895	2.8
85.06529	2.9
89.06040	2.5
91.05472	31.5
93.07034	40.1
95.04974	8.3
95.08603	29.4
96.08903	1.7
97.02874	4.7
97.06525	8.0
97.10168	7.3
99.04478	1.5
99.08085	3.6
104.96169	1.2
105.07024	27.9
107.04929	7.2
107.08586	26.6
109.02879	3.6
109.06533	3.1
109.10150	12.9
111.04470	1.6
111.08057	4.6
115.05376	1.9
115.07561	2.2
117.07011	18.6
119.08563	20.1
121.06502	3.3
121.10125	14.4
123.08093	3.0
123.11684	4.6
125.09597	4.3
126.99375	1.4
127.03875	2.5
127.47416	1.2
128.06203	4.0
129.06979	10.8
130.07787	2.3
131.04817	1.4
131.08565	20.1
131.56371	1.2
133.06496	1.7
133.10124	14.6
135.08018	2.9
135.11705	10.3
137.09595	2.9
141.06995	5.4
141.51169	1.4
142.07793	2.8
143.08534	12.5
145.10106	16.6
147.07988	1.7
147.11674	9.7
149.09656	3.5
149.13229	7.0
151.11171	1.5
151.55788	1.4
153.07001	1.5
155.08543	13.5
157.10101	11.0
159.11682	11.4
161.09636	1.9
161.13297	4.1
163.11124	3.6
165.06946	3.7
166.07777	2.4
167.08582	6.5
169.10086	14.4
171.11696	10.9
173.09589	1.8
173.13246	7.7
175.11198	2.1
177.12741	3.4
179.08549	5.3
181.10112	9.8
182.10866	1.9
183.11723	11.1
185.13248	5.9
187.11226	2.2
187.14784	3.0
192.09355	1.8
193.10150	5.7
195.11697	11.7
195.13593	2.5
197.07262	4.1
197.13232	10.8
199.14813	5.7
205.10147	3.3
206.10770	1.8
207.11659	5.1
209.13205	10.0
211.14891	6.4
213.14726	2.0
219.11646	3.8
221.13280	6.3
223.14754	7.3
225.16391	5.6
227.12778	3.2
233.13332	2.1
235.14784	5.9
237.16373	5.0
239.14168	1.6
239.18021	3.1
249.16379	3.3
251.18062	2.7
257.18997	2.4
265.19501	2.4
267.15976	2.4
275.20044	7.9
277.19186	1.5
279.21121	1.5
294.09921	8.3
295.10397	7.5
296.09741	3.4
315.23199	2.8
321.16617	2.0
337.25223	1.5
339.18079	3.0
349.24927	1.8
356.97629	1.5
381.25928	2.6
389.28207	1.8
395.20605	2.0
421.30801	2.2
445.29745	1.6
463.30682	3.2
515.38782	11.9
533.39960	8.5
537.35632	2.0
538.36401	1.5
551.40924	5.0
589.33667	1.8
589.42920	7.2
607.34119	27.4
607.43372	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50731	0.3
55.05468	1.2
58.99831	1.1
67.05447	1.4
69.07022	1.4
70.41056	1.4
77.00901	5.4
79.05444	1.0
81.03368	0.7
81.07051	2.2
91.05421	1.1
93.06984	1.0
95.01942	3.5
95.04884	0.4
95.08540	1.2
97.10139	0.5
105.06956	1.5
107.08535	0.8
109.10100	0.6
111.04353	0.4
119.08544	0.8
121.10075	0.6
129.06918	0.5
131.01906	0.4
131.04816	0.3
131.08559	0.4
133.10060	1.0
143.08553	0.6
145.10106	0.5
153.03839	0.5
155.05548	0.5
157.10106	0.6
159.04900	0.4
159.11687	0.6
169.07074	0.6
170.04179	0.4
171.04990	0.6
173.06551	0.9
173.23790	0.3
181.06984	0.4
182.04201	0.7
185.06618	0.7
187.08096	1.7
188.05159	0.6
195.08511	0.4
197.10193	0.6
199.08102	0.8
201.09685	3.8
203.09178	0.4
205.09035	0.7
207.04980	2.9
209.10182	0.8
213.09700	1.7
215.11264	2.4
217.10770	0.4
217.14281	0.4
219.10675	2.9
221.06537	1.6
221.10237	1.1
223.11818	0.8
225.06104	2.1
225.09673	0.4
227.11194	1.6
229.12877	1.3
230.98866	0.4
231.12306	0.6
233.06667	0.4
235.08104	0.5
237.13312	1.9
239.07573	0.7
239.11182	1.3
241.12813	1.5
243.14230	0.6
247.13940	0.5
251.11296	0.8
251.14572	0.4
253.12709	0.6
255.14366	4.0
259.11606	0.5
259.15543	0.5
263.11264	0.9
264.12082	2.2
265.12762	1.5
269.12323	0.9
273.13113	0.4
273.17050	1.7
277.12796	2.3
277.16257	0.6
281.12247	1.1
282.13123	1.9
283.13837	2.4
289.16528	2.8
291.14697	0.9
291.17957	8.1
295.13760	0.9
297.16876	0.9
303.18069	1.0
309.19055	7.6
313.16425	1.5
314.19629	0.9
315.17944	9.9
315.21368	0.6
316.18250	0.4
322.58057	0.4
332.20740	0.7
333.19064	100.0
334.19342	3.6
351.20102	9.8
356.20645	8.5
357.20810	0.5
607.38391	82.1
608.38831	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	607.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	1.4
53.03939	8.9
55.01862	4.3
55.05507	23.6
56.96547	2.1
57.03434	7.1
57.07061	2.1
59.90014	1.1
60.51055	1.0
61.02897	3.7
65.03925	5.3
67.05498	68.5
69.03070	1.8
69.03420	19.8
69.06712	1.6
69.07061	21.6
70.06593	7.3
71.01347	1.6
71.04987	8.2
71.60320	1.8
72.08111	1.8
73.02901	3.6
79.05486	51.4
81.03414	73.2
81.07048	100.0
83.04977	12.7
83.08607	16.5
84.04480	1.3
84.08127	5.3
85.02895	14.0
85.06532	5.9
86.09685	3.8
87.04436	2.1
89.06008	2.6
91.04893	1.9
91.05472	47.4
93.07036	63.3
95.04967	12.8
95.06097	1.2
95.08042	2.3
95.08604	30.4
97.02885	13.4
97.06519	12.1
97.10149	2.5
99.04441	5.7
99.08072	3.3
103.05489	2.2
105.04523	1.5
105.07021	25.9
107.04275	2.1
107.04949	27.6
107.08584	28.8
109.02872	16.9
109.06513	6.8
109.10157	4.7
110.07174	1.4
111.04448	8.2
111.08086	5.6
113.06025	1.8
115.05435	1.8
116.98616	1.4
117.07003	16.0
119.08571	16.1
120.08088	2.8
121.02899	2.1
121.06495	9.4
121.10137	16.9
123.04440	2.2
123.08032	2.3
123.11674	6.2
125.05966	1.7
125.09610	1.7
127.03898	12.8
129.07007	7.4
131.08546	17.7
133.06458	3.4
133.10126	14.8
135.08052	4.3
135.11670	11.4
136.07536	1.3
137.06003	1.9
137.09608	2.0
138.09058	1.3
139.11255	1.3
141.06924	1.6
142.07793	1.7
143.08531	3.6
145.06476	3.7
145.10124	4.7
147.04427	2.0
147.08035	3.1
147.11668	14.7
149.05957	2.0
149.09641	2.5
149.12047	1.2
149.13245	24.6
151.11150	1.6
155.08630	1.6
157.04701	2.2
157.10106	5.5
159.11693	15.7
161.05875	1.8
161.09529	1.9
161.13261	1.8
165.12752	5.3
167.14314	1.4
169.10130	2.2
171.11621	2.3
173.13089	1.9
175.11142	3.0
177.12720	11.0
183.06519	2.6
183.13776	1.4
187.81943	1.2
189.09142	1.4
191.14354	1.3
193.12291	2.4
195.13794	17.4
197.13268	1.8
197.60271	1.2
210.14766	1.3
213.14830	5.4
214.40274	1.2
233.15250	2.0
233.48990	1.2
241.09201	2.2
241.12077	1.2
249.15034	2.5
253.17966	1.8
257.15186	1.4
261.14902	2.4
267.15833	6.5
269.10623	1.6
269.17499	11.5
275.16339	1.4
285.14682	1.7
287.11621	1.7
297.16998	2.5
303.15958	4.8
321.16922	5.1
339.17957	15.0
344.54605	1.2
347.22092	1.7
367.13483	14.2
377.19208	2.9
395.20566	13.4
433.15277	2.1
435.51678	1.3
445.29349	4.9
463.30597	12.4
491.18695	2.6
501.19226	2.3
501.29639	2.0
513.32214	1.8
533.30762	1.4
539.34357	3.4
571.32294	2.1
589.33643	4.5
607.23718	13.6
607.34637	93.9
608.34760	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	607.2915
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
67.05498	0.9
67.83751	0.4
69.07039	0.4
69.89421	0.4
70.28870	1.7
72.66580	0.4
79.05489	0.7
81.07053	1.1
91.05495	0.8
93.06988	0.4
105.53219	0.4
107.04970	0.5
107.10796	0.4
270.11655	0.5
287.20639	0.5
388.16827	0.5
389.17673	0.5
401.18115	0.6
402.18423	1.2
403.19354	3.9
404.20102	1.1
405.20862	1.3
405.79993	0.4
415.19647	0.8
416.15683	0.8
416.20474	1.0
417.21350	3.4
418.21957	2.2
419.22357	3.6
430.17609	1.2
431.18167	7.4
432.19272	1.6
433.24112	7.2
434.24750	1.0
444.19321	0.5
445.19769	7.7
446.20694	4.1
447.21713	3.7
459.21356	3.7
460.22485	11.5
461.23389	11.1
473.23932	2.7
474.24460	0.5
477.22864	0.8
487.24762	0.8
491.24207	0.5
492.25336	0.5
505.21753	2.8
515.23700	0.5
518.22974	0.7
519.28369	1.1
532.24207	0.6
547.27057	25.2
548.27643	1.1
569.53101	0.5
575.26172	0.7
607.29108	100.0
608.29504	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	607.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.9
56.24287	0.3
58.86109	0.3
60.04528	11.0
67.05507	0.7
70.06245	0.5
70.06593	6.6
70.43033	1.3
71.04988	0.3
72.08151	2.1
74.06079	0.5
79.05485	0.5
81.03416	0.4
81.07077	0.5
84.04503	8.0
84.08150	2.4
85.02893	0.4
86.06068	3.4
86.09706	14.6
87.05579	1.1
91.05477	1.5
91.75704	0.3
93.07037	1.1
95.04978	0.8
96.06933	0.3
101.07137	1.6
102.05533	0.5
103.05456	2.7
105.07025	0.4
107.04971	1.8
109.02821	0.3
109.10128	0.4
110.07157	0.9
113.07121	0.3
114.05523	3.0
115.08736	0.3
120.08103	100.0
121.02871	0.5
121.08459	2.0
129.10245	1.5
130.04031	0.7
130.05005	11.4
131.11815	0.4
132.59821	0.4
133.06487	0.5
135.71129	0.3
141.06599	2.1
144.08086	1.3
145.10049	0.4
147.07643	14.1
157.06503	0.5
158.09300	0.3
159.07913	0.3
162.09132	1.0
163.07610	0.4
172.07584	0.7
173.09222	0.4
183.07632	5.0
184.07329	0.6
189.10197	0.6
200.10249	0.3
201.08698	3.8
207.11278	7.2
217.09782	0.5
233.16479	0.6
235.10806	1.8
237.09114	0.9
243.13408	1.0
260.16071	10.7
261.16272	0.7
302.14984	4.3
320.16040	5.2
320.19635	0.4
330.14481	17.7
347.22043	0.6
348.15536	19.0
348.18765	0.8
349.15799	0.6
407.22949	0.8
461.24002	2.0
494.26050	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.291
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
55.05494	0.3
57.07062	0.4
64.18676	0.3
67.05492	0.5
69.07069	0.5
71.08627	0.3
71.60191	0.3
81.07050	0.9
85.78627	0.3
91.05502	0.3
93.07029	0.3
95.08603	0.9
109.10135	0.4
119.08525	0.3
123.11839	0.3
229.75612	0.3
277.21664	0.4
375.16022	0.3
387.16107	0.6
388.16788	0.7
389.17670	1.0
390.18829	0.4
391.19644	0.3
400.17258	0.4
401.17755	0.6
402.18158	1.4
403.19208	2.9
404.20044	1.1
405.20755	1.8
415.19458	0.6
416.15646	0.6
416.20114	1.0
417.21176	4.4
418.21649	2.0
419.22345	3.4
421.23682	0.3
429.16479	0.4
429.21445	0.4
430.17667	1.0
431.18152	8.1
432.18430	1.9
432.24066	0.7
433.24023	8.0
434.25055	1.4
443.18402	0.4
444.19049	0.7
445.19846	9.0
446.20743	4.8
447.21704	4.1
448.18881	0.3
457.20795	0.3
458.20782	0.6
459.21240	4.3
460.22430	11.7
461.23288	13.6
473.23819	3.3
474.24158	1.1
477.22757	0.7
487.25269	1.9
489.22525	0.5
491.19901	0.3
491.24811	0.5
492.25098	0.7
495.26648	0.3
505.21573	3.3
506.26764	0.4
515.24390	0.4
517.22235	0.3
519.24384	1.6
519.26868	1.5
532.24622	0.9
533.25299	0.5
547.26978	32.2
548.27325	0.6
575.26520	1.1
578.25574	0.7
579.29303	0.8
607.29071	100.0
608.29285	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2547
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
55.05479	0.4
57.07051	0.5
57.48370	0.3
67.05502	0.7
69.07061	0.6
70.06571	0.4
71.59339	0.3
71.59689	0.3
79.05485	0.6
81.07045	0.9
89.06004	1.6
91.05486	0.8
93.07044	0.5
95.08589	0.6
105.07049	1.8
105.74623	0.3
107.08573	0.5
129.06995	0.4
131.08549	0.3
133.08618	0.3
133.10118	0.4
143.08575	0.3
145.10123	0.4
152.77141	0.3
158.09599	0.3
159.11671	0.4
164.53925	0.3
165.68631	0.3
174.33337	0.4
191.79672	0.3
195.09102	0.5
201.06168	0.3
201.55717	0.3
209.10603	0.3
223.12408	0.3
233.10822	0.3
247.12349	0.4
249.16190	0.4
251.12039	0.4
298.13425	0.3
341.71231	0.4
373.14722	0.5
375.15686	0.8
387.16251	0.9
388.16962	1.0
389.17633	2.6
390.18375	1.0
391.19193	1.3
401.17676	1.1
402.18542	0.8
403.15411	0.9
403.19720	3.7
404.20123	1.9
405.20782	2.9
415.19357	0.7
416.16263	1.0
417.16272	4.2
417.21207	1.9
418.17371	0.9
418.21744	1.2
419.17642	0.4
419.22449	6.7
420.22989	0.5
428.09302	0.4
429.16962	0.7
430.18042	1.0
431.18289	9.0
432.19064	3.2
433.20023	4.0
441.17160	0.4
445.20233	4.9
446.20987	7.9
447.21664	10.6
459.17297	0.7
459.21985	1.6
460.18317	0.7
461.19168	2.1
462.24457	0.5
463.21072	0.6
473.19070	1.0
474.20401	5.8
475.21002	4.7
476.22293	0.4
477.22940	0.6
478.23904	0.7
480.16791	0.5
487.21115	2.3
488.21716	0.5
491.19812	2.6
501.22958	1.3
505.22391	0.5
506.22745	0.4
519.24097	17.0
520.24316	0.5
547.23383	12.8
548.23981	0.9
551.26178	0.4
579.25916	6.0
607.25476	100.0
608.25885	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
70.20227	2.1
79.63406	0.5
91.05458	1.2
95.90617	0.5
107.04969	0.7
115.05403	0.7
117.05788	0.9
117.06998	1.2
118.06535	16.8
130.06500	1.6
132.08086	4.6
142.06467	1.8
142.56239	0.5
143.07300	2.1
144.04559	0.6
144.08084	12.5
146.06001	59.0
147.06261	0.6
159.09175	5.0
160.07596	0.9
170.05983	3.3
188.07056	100.0
189.07343	1.7
205.09712	43.0
206.10060	0.8
302.07321	0.6
353.72760	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79925	1.5
53.62484	1.8
55.01863	3.8
55.05507	8.0
57.03436	54.6
62.15847	1.6
67.05505	14.9
69.03398	1.6
69.07059	5.6
69.49561	10.4
69.49972	3.2
70.06590	8.4
72.08146	1.7
79.05484	17.6
81.03424	2.0
81.07048	14.1
83.08609	4.4
84.08147	3.3
85.06542	8.8
86.09716	4.2
91.05476	39.5
92.92258	1.5
93.07043	15.6
95.04966	4.8
95.08602	10.3
97.10150	1.6
98.98468	7.5
103.05459	2.9
105.07028	24.9
107.04975	7.5
107.08586	8.4
109.06508	21.8
113.05918	1.8
115.05442	4.3
116.06242	1.8
117.07018	30.0
119.04926	2.1
119.08564	12.6
120.08124	2.2
121.10166	4.9
128.06239	3.3
129.05434	2.9
129.07004	15.9
131.08557	23.6
133.06441	2.2
133.10143	5.0
135.08008	10.2
135.11732	3.1
135.95363	1.6
137.09557	2.6
141.07025	5.8
142.07733	1.8
143.08533	11.1
145.06479	2.9
145.10126	16.4
147.08055	16.9
147.11710	3.0
155.08569	7.1
157.10117	17.4
159.08055	6.1
159.11674	9.5
160.12579	1.9
161.09595	10.9
168.09398	2.1
169.10146	4.2
171.11687	7.7
173.13286	7.7
175.11180	7.5
181.10101	4.2
183.11678	10.5
185.13181	2.5
189.12669	3.2
195.11702	2.4
199.11243	2.0
199.14848	6.5
201.12779	11.6
207.76625	1.8
217.15855	18.8
231.25978	1.7
237.16336	6.8
255.17523	9.3
259.08383	4.0
273.18448	19.2
275.16455	4.9
291.19586	5.1
347.22168	100.0
348.22458	5.5
394.14993	3.1
597.77167	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.34
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.01876	0.9
55.05272	0.7
55.05515	9.2
57.03441	7.2
65.03926	1.5
67.05505	33.2
68.05016	2.5
69.03425	0.8
69.07072	7.9
70.06571	1.4
71.05006	3.3
71.60027	0.7
72.04514	0.9
72.27537	0.7
79.05497	16.8
81.07058	27.9
82.06567	1.0
83.04973	1.1
83.08600	3.0
85.02908	0.9
85.06514	0.7
85.10174	1.8
89.61045	0.6
91.05494	8.0
91.48537	0.6
93.06477	1.3
93.07042	18.4
94.24876	0.7
95.04957	2.8
95.08611	25.4
96.08112	3.9
97.06539	1.4
97.10146	1.3
105.07027	5.9
105.63738	0.8
107.08606	6.1
109.10156	7.3
110.09681	1.8
113.06004	1.8
114.05523	2.5
114.09168	9.1
117.07026	1.9
119.08595	4.1
121.10136	7.0
123.11707	1.6
131.08568	2.9
133.10120	2.3
135.11668	3.3
138.09149	1.7
145.10109	1.3
147.11671	0.8
149.13226	1.4
156.10202	12.6
159.11711	1.3
161.13342	0.8
173.13307	1.0
174.07635	2.1
174.11263	30.1
254.07916	1.5
261.22055	0.9
272.08939	24.4
272.11917	1.3
285.94885	0.7
326.19681	0.7
335.25803	100.0
336.26288	3.3
363.56131	0.7
415.59100	0.7
426.34195	0.9
443.35477	0.9
444.35379	2.0
466.44730	0.9
610.28864	0.8
634.04706	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18513	2.0
53.03946	2.0
53.56025	1.9
55.01860	8.6
55.05495	2.1
57.03418	6.2
60.00528	2.2
67.05500	5.7
70.06577	6.8
71.20317	4.2
72.08148	2.7
73.04255	1.9
78.68972	2.1
79.05470	10.2
80.32944	1.9
81.07056	5.1
86.09702	3.6
91.05495	11.7
92.05881	2.0
93.07030	6.8
95.04964	5.2
95.08584	4.1
103.05457	10.4
105.07029	39.5
107.04961	43.1
107.08649	3.0
109.06512	3.8
115.05442	11.5
117.07028	12.1
119.04938	7.2
119.08582	4.6
121.02863	7.5
121.06492	9.0
123.04416	3.2
123.93749	2.0
128.06219	3.7
129.07004	18.6
129.10173	2.4
131.04932	26.0
131.08554	7.4
133.06490	100.0
135.08092	2.7
137.05954	7.3
137.72958	2.0
141.06985	4.4
143.04924	4.0
143.08571	2.9
145.06483	32.0
145.10120	2.3
147.04379	10.7
147.08031	5.8
149.05966	15.4
151.03870	4.6
152.06213	2.7
153.06935	2.8
155.04897	3.5
155.08577	3.4
156.33104	2.3
157.06473	32.2
157.10158	2.2
157.93703	1.9
159.08035	9.1
161.05930	3.4
165.06970	7.4
167.08629	2.5
169.06493	15.0
170.23312	2.0
171.04384	7.1
171.08032	6.5
173.05968	16.5
175.07462	3.2
179.08551	5.2
181.06447	5.5
183.04407	2.4
183.08054	6.2
184.07327	4.8
185.05975	5.0
187.07602	3.5
191.08586	3.4
194.07291	2.9
195.07993	7.2
197.05951	8.0
199.07573	5.8
202.07791	6.2
203.07027	3.0
205.06577	2.5
207.08032	6.6
209.05988	3.6
211.07547	16.6
213.09232	3.0
219.08090	5.8
220.08803	2.8
221.06026	3.7
221.09497	2.3
223.07564	11.3
225.09102	5.8
231.07967	5.0
235.07506	11.8
237.09135	7.4
241.08623	4.8
245.09477	2.9
247.07518	5.6
249.09088	6.3
253.08612	3.2
253.68819	2.2
255.10303	3.1
255.17387	2.4
259.07605	5.0
261.09009	2.9
265.08618	4.0
273.18497	3.2
305.09576	3.8
306.10333	2.6
307.10876	2.6
311.10382	3.2
318.10144	2.4
334.09970	2.6
335.10812	3.8
337.12262	3.1
347.22162	9.2
347.26001	2.5
349.12256	4.2
351.14066	2.3
353.11713	6.2
355.13165	4.1
357.14844	5.9
359.10803	2.8
365.11462	4.4
367.13229	7.3
369.10999	4.1
369.15082	3.7
371.12842	5.3
377.11789	4.2
379.13501	4.3
381.11121	2.7
383.12735	4.7
395.12723	8.4
397.14447	3.2
407.12903	4.5
409.14551	2.8
415.15250	6.2
427.15408	19.7
439.15198	9.2
445.16211	5.7
453.16699	2.2
457.16318	2.2
497.17465	2.9
515.18243	6.8
527.18549	6.1
545.19568	3.9
559.20496	3.2
577.21930	8.0
607.22668	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	606.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
53.25142	0.5
55.01864	1.7
55.05505	10.6
55.89473	0.4
57.03427	0.8
57.07072	13.9
60.34667	0.4
67.05507	6.6
69.03414	1.1
69.07063	65.8
70.04073	4.3
70.07483	0.8
70.07851	3.2
71.04988	0.6
71.08624	5.3
79.05490	5.5
81.03399	1.7
81.07053	5.5
83.04922	1.7
83.08625	4.9
85.02903	0.8
85.06516	0.9
89.06023	0.5
91.05470	4.2
91.57568	0.4
93.07024	4.4
93.07452	0.4
95.04949	1.3
95.08585	3.0
97.06531	1.0
97.10165	8.6
99.00008	0.9
99.08094	3.9
105.07038	3.2
107.04940	1.3
107.08587	4.0
109.06509	0.7
109.10163	1.3
110.03478	0.7
111.08048	0.9
113.01581	1.0
115.07557	19.7
117.06990	0.9
119.08571	2.3
121.06492	0.5
121.10129	1.8
125.09629	6.2
126.99433	4.0
129.01021	9.3
131.08563	1.0
133.10132	1.9
135.08067	1.0
135.11690	1.0
141.01007	11.8
143.08531	0.7
143.10727	0.6
145.10106	0.7
155.02580	4.4
159.11691	0.5
161.09612	0.8
161.13217	1.4
163.11150	1.2
166.69586	0.4
171.10179	0.5
179.14259	0.8
184.07394	0.9
186.71620	0.5
189.11206	5.3
197.07271	39.8
198.07484	0.6
199.06940	1.8
201.14862	1.1
219.21466	0.5
225.06717	3.5
229.76184	0.7
256.76697	0.5
277.21548	1.4
294.10004	100.0
295.10370	1.6
296.09695	3.7
362.24597	0.9
378.23859	1.0
380.25381	1.9
392.94342	0.6
583.01337	0.6
593.90576	0.6
606.32294	5.2
606.41364	1.2
610.21222	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	0.6
53.03931	0.7
55.01854	1.2
55.05509	8.3
57.03411	0.8
57.07073	15.9
59.04988	0.5
64.04031	0.5
64.80180	0.5
65.03921	0.6
67.05496	6.4
69.03419	1.6
69.07062	60.4
70.04074	4.4
70.07839	2.0
71.08629	4.9
71.59911	0.6
79.05493	4.4
81.03408	2.1
81.07061	6.6
83.04923	1.2
83.08615	4.6
85.02908	1.1
85.06508	0.8
89.06043	0.8
91.05463	3.6
93.07033	3.8
95.04958	2.3
95.08612	3.3
97.02879	0.7
97.06523	0.6
97.10167	6.6
98.10509	0.6
98.99977	1.1
99.08081	4.0
105.07027	3.2
107.04978	1.2
107.08594	3.9
109.06517	0.9
109.10129	1.3
111.04433	0.7
113.01569	0.6
115.07564	18.3
117.07000	0.9
119.08563	2.2
121.06499	1.2
121.10117	1.4
125.09631	6.1
126.99434	4.5
129.01033	7.8
129.06984	0.6
131.08572	1.3
133.10117	1.4
135.08032	0.8
135.11650	1.5
141.01018	11.9
145.10117	0.8
149.13278	0.7
151.11191	0.6
155.02568	5.0
161.09645	0.7
161.13127	1.2
163.11194	0.6
179.14232	1.0
189.11185	5.6
193.12247	0.6
197.07277	37.7
199.07051	0.8
225.06734	3.0
275.20053	0.9
277.21674	1.7
294.10004	100.0
295.10272	1.4
296.09882	2.6
362.24393	1.0
378.23721	0.8
380.25323	2.1
409.26123	0.9
606.32556	4.5
606.41687	1.0
607.32843	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.8
56.05032	2.5
57.04288	1.1
57.98753	1.1
58.99582	15.5
60.04528	1.6
67.05531	1.0
67.60123	1.0
69.53320	2.9
69.53726	6.3
70.02949	1.3
70.06239	1.7
70.06593	15.8
72.08154	4.6
74.06059	1.4
76.02229	100.0
76.04006	4.5
79.05497	2.8
80.04976	1.7
81.03436	1.5
83.06096	1.3
84.04039	2.1
84.04507	27.5
84.08155	6.2
85.02879	1.4
86.06094	1.6
86.09711	7.3
86.99059	5.3
88.02213	2.1
91.05495	3.8
95.04978	2.4
102.05561	2.0
103.05493	1.4
103.94339	1.3
105.07022	6.9
107.04958	36.0
110.07169	4.3
114.03744	1.8
114.05511	1.1
115.06612	1.4
116.01677	26.1
120.08132	1.8
121.06493	3.2
123.04430	2.8
129.06876	1.2
129.10245	3.0
130.05016	15.6
131.04948	3.2
131.08591	1.8
133.06502	15.7
136.07603	1.9
137.06039	1.6
141.04790	1.3
142.03236	8.6
144.01167	17.1
145.06483	6.4
146.02696	1.8
157.06444	2.1
159.08038	3.3
161.05972	1.2
162.02213	48.6
163.02216	1.9
165.07013	1.5
170.02711	2.8
171.07968	2.3
177.03374	1.9
179.04857	81.5
184.07333	4.1
187.05402	3.1
211.07472	2.2
215.04846	3.2
216.03221	1.4
233.05896	24.8
239.10562	1.6
245.05884	4.4
251.10559	2.0
263.10632	1.7
267.15921	3.3
281.11676	2.5
290.08017	2.0
291.06409	2.4
297.09152	2.0
308.09109	87.4
309.09314	1.6
445.15897	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.2
56.05026	4.9
58.99584	17.8
69.03429	2.4
70.02086	7.0
70.06590	17.7
72.08153	4.0
74.00659	2.1
76.02227	100.0
76.04000	4.5
76.28039	1.4
77.63278	1.4
79.05486	3.9
81.03442	1.5
81.97787	1.3
83.06084	2.1
84.04498	35.2
84.08168	7.0
85.02921	6.3
85.04018	2.2
86.09703	5.1
86.99043	3.8
88.02204	1.3
91.05468	5.6
92.01762	1.6
93.07040	2.0
95.04974	2.3
97.02913	2.1
100.02202	4.9
102.05540	3.8
103.05475	5.7
105.07030	2.0
107.04952	83.6
108.05289	4.8
110.07155	2.9
112.02209	1.4
112.03967	3.2
114.03755	1.4
115.05445	3.3
116.01665	27.9
117.07006	5.1
120.08122	4.1
121.06499	4.7
128.06200	3.4
129.07036	12.5
129.10260	4.4
130.05002	25.7
131.04938	23.6
132.05724	12.0
133.06476	4.0
135.02676	2.8
136.07584	1.8
142.03220	13.3
142.04985	1.5
144.01149	13.5
145.06474	18.7
146.02711	1.6
146.06886	2.4
147.06801	6.9
147.07945	2.5
148.07579	1.8
149.05936	1.6
151.02156	12.6
155.08090	1.3
157.06482	16.9
162.02206	44.2
163.02126	85.8
163.07599	6.1
165.03662	1.7
169.06470	1.6
170.02742	3.9
170.06844	1.5
175.07570	5.0
177.03276	16.6
179.04852	54.4
181.06172	1.6
185.03854	1.7
187.05345	2.9
189.03694	8.6
194.06383	4.9
203.04889	14.6
206.06343	27.2
206.08157	2.1
215.04878	3.9
216.04761	1.9
217.03249	10.1
224.07492	2.6
231.04407	3.9
233.05939	11.1
233.09573	2.0
234.05811	3.7
237.09010	2.1
245.05873	2.4
251.10735	9.1
252.10988	3.2
263.10672	6.1
264.10953	4.4
281.11700	2.9
291.06577	1.8
297.08923	9.5
306.07660	1.9
308.09091	43.0
309.08997	45.4
327.10141	3.5
345.08920	2.1
351.09970	2.3
356.81845	1.7
363.10104	30.9
381.11243	6.6
426.13290	6.7
438.13031	10.4
456.14178	2.0
459.15448	1.5
497.04251	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57748	1.7
55.01864	4.9
55.05504	3.3
56.05023	5.6
58.99592	1.9
60.04514	1.9
61.01159	2.0
67.05510	2.4
70.02898	1.7
70.06594	55.0
70.17830	8.3
71.06940	3.2
72.08147	19.1
74.06074	3.9
76.02226	6.8
79.05489	6.0
81.07027	1.9
83.06086	3.3
84.04502	14.7
84.08141	19.2
85.02882	1.9
86.09703	26.4
87.04482	1.9
87.05608	2.3
87.10043	2.3
88.04025	1.8
91.05473	8.0
94.28207	1.8
95.04951	2.3
101.07178	1.7
102.05516	5.0
103.05437	3.1
105.07026	4.4
107.04959	100.0
108.05307	2.1
110.07187	10.9
112.08740	2.2
115.05457	2.1
116.07079	2.3
117.07020	5.2
119.04909	4.0
120.08102	12.0
127.08663	1.9
129.07008	5.1
129.10243	9.5
130.05006	2.7
131.04933	29.7
132.05679	3.7
133.06502	16.4
136.07584	4.2
141.10271	1.9
144.05684	4.8
145.06516	14.1
149.05978	2.1
157.06493	15.1
160.07684	2.1
162.02165	2.8
162.13707	1.8
166.07808	2.0
167.08669	2.8
169.06349	2.2
177.03374	2.0
179.04849	4.9
179.08450	3.3
181.09969	2.4
183.15009	2.7
184.07378	9.4
189.08900	1.9
190.07700	2.3
191.08565	7.1
194.07294	6.9
195.07991	2.8
201.12355	2.2
207.08105	11.7
208.08807	5.1
209.09605	5.1
210.06711	1.9
218.07285	2.1
219.08034	6.0
223.11197	5.2
225.09140	21.6
233.09543	4.9
236.08424	4.0
237.09096	80.1
239.10628	14.9
249.09085	3.3
250.09888	4.4
251.10674	41.9
263.10715	2.9
269.11807	16.3
281.11703	67.2
288.42853	2.0
299.12799	86.9
300.13129	3.2
308.09036	3.0
396.73288	2.1
423.23373	8.1
468.82748	2.3
547.22852	5.6
606.29919	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	605.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	9.0
55.05510	28.8
57.07076	46.9
62.90073	3.9
67.05504	35.5
69.07059	20.0
69.30218	3.9
69.43329	37.3
71.08627	27.8
79.05484	41.6
81.03400	6.8
81.07054	49.1
81.25954	4.3
81.58207	4.3
83.04971	10.9
83.08632	19.2
91.05483	32.2
93.07038	48.7
95.04960	51.7
95.08602	39.2
97.06532	11.5
97.10170	16.5
98.21468	8.9
99.08101	8.5
105.07024	36.1
107.04955	13.1
107.08574	27.0
109.06509	9.9
109.10149	13.5
111.08057	6.4
117.06996	9.8
119.08557	21.4
121.10116	25.1
125.09635	7.9
127.63158	4.0
129.07033	6.5
131.08540	10.4
133.10133	13.9
135.08040	7.1
135.11664	26.4
141.09125	4.6
145.10147	13.5
147.11633	4.4
149.09639	12.1
149.13272	7.4
151.11131	6.4
153.09105	9.9
155.62068	3.8
159.11758	5.4
161.13242	9.7
163.11108	21.0
165.12701	8.5
174.49265	4.2
175.20903	4.3
177.12732	8.0
179.14319	80.7
180.51680	4.1
189.11215	9.9
205.12195	5.7
223.13243	16.1
225.16660	4.1
249.22388	4.3
270.85275	4.7
275.20032	30.1
277.21625	55.8
293.21112	100.0
313.27753	5.0
396.93314	4.4
442.51108	4.2
605.31494	14.8
605.40277	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.4
55.01865	3.8
55.05511	11.5
57.03433	2.0
57.06819	1.3
57.07073	18.2
65.03919	1.2
67.05161	1.6
67.05502	21.9
67.95144	0.9
69.03394	0.9
69.07064	11.4
71.04980	1.6
71.08628	11.5
71.58672	0.8
71.59087	1.1
79.05486	16.8
81.03419	1.4
81.07055	27.6
83.01089	7.8
83.04983	2.1
83.08613	8.3
83.35535	1.0
85.06532	1.1
85.10183	6.6
86.40642	0.9
89.06025	2.3
91.05473	12.9
93.07030	14.2
95.04966	4.5
95.08600	20.7
97.06528	8.4
97.10157	5.1
99.08091	0.9
99.11786	0.9
103.05437	1.1
105.07018	22.2
107.04955	5.9
107.08586	11.6
109.06510	5.4
109.10153	10.4
111.04186	1.5
111.08076	1.4
112.33376	0.8
117.07005	3.3
119.08574	10.9
121.06513	2.9
121.10126	5.1
122.36971	0.9
123.08043	1.8
123.11712	3.4
125.09638	2.5
125.35274	0.8
127.03655	5.8
129.07021	1.5
131.08557	5.8
133.08615	1.2
133.10124	7.2
135.08040	3.0
135.11751	3.5
137.09651	1.6
137.13330	2.1
145.10107	6.8
147.08038	1.0
147.11685	7.8
149.09607	9.9
149.13318	1.2
151.11160	1.6
155.06822	2.3
157.10075	1.1
159.11668	4.5
161.13284	2.1
163.11133	4.5
165.12805	2.2
169.10191	1.7
171.06306	2.4
171.11725	1.1
173.13290	2.2
177.12761	1.5
183.11716	1.3
187.11226	1.4
189.11237	1.8
197.13197	1.1
199.09512	1.1
213.16298	1.1
225.37450	0.8
227.12814	3.5
239.18008	2.3
239.23743	2.2
243.11884	0.7
247.20723	1.4
250.01315	0.8
257.18964	5.1
275.20044	34.2
277.21576	1.1
293.21371	4.2
313.27316	19.0
313.30652	1.5
331.22766	1.6
337.15497	1.0
345.20889	1.1
349.23703	12.6
396.47751	1.0
409.19952	1.9
413.18634	4.2
428.21201	1.9
485.23184	3.3
501.26410	1.5
587.46863	12.5
605.32367	100.0
605.47443	12.9
606.32678	17.6
606.48120	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89319	4.0
53.03941	4.1
55.01862	8.4
55.05527	21.2
55.05746	4.1
57.03438	5.6
57.07076	23.1
61.02920	9.8
67.05502	19.7
69.03429	31.7
69.07077	36.3
70.29289	10.7
71.08627	17.8
79.05482	17.2
81.03405	17.4
81.07069	30.6
83.08613	23.4
85.02904	61.3
85.10168	12.5
91.03976	4.5
91.05480	23.2
93.07050	36.1
95.04948	5.1
95.08598	37.3
97.02892	22.1
97.10161	12.4
98.10524	4.0
105.07025	24.6
107.04949	7.8
107.08582	20.1
109.02856	7.6
109.06533	4.4
109.10170	25.3
111.11741	4.8
111.44098	4.0
117.07010	13.9
119.04935	4.1
119.08619	23.8
121.06509	22.2
121.10163	14.4
123.11755	6.5
125.05954	4.6
127.03914	10.9
127.13484	4.3
129.07013	6.4
131.08563	27.3
133.06483	10.5
133.10112	9.5
135.08026	16.4
135.11665	7.5
137.13202	3.8
141.06956	4.6
143.08542	13.2
145.04929	6.9
145.06538	8.9
145.10118	29.5
147.08037	12.9
147.11682	13.9
149.05914	4.1
149.09546	6.2
155.08606	7.5
157.10153	11.3
159.08038	21.7
159.11705	12.4
161.09633	9.6
161.13275	7.7
163.11156	5.4
169.10124	7.9
171.11667	7.3
173.09593	37.7
173.13237	9.4
175.11191	17.8
177.09184	5.2
181.10129	5.0
183.11707	10.5
185.13261	5.5
187.11206	9.6
187.14844	6.2
189.12727	5.0
191.10606	7.2
195.11713	9.7
197.13255	4.4
199.11189	9.1
199.14833	6.6
201.12740	40.7
211.11191	4.9
211.14877	5.2
215.14322	18.9
219.13808	15.5
223.14909	4.8
225.12735	4.9
227.14313	9.5
229.15944	6.7
233.15331	14.9
239.17937	5.1
253.15929	7.8
257.15445	4.1
267.17453	16.4
271.16943	9.2
285.18451	25.7
287.73285	4.7
289.17902	7.1
295.20496	4.2
313.21964	4.6
313.25317	15.1
334.46057	4.7
349.27188	6.3
407.32971	19.8
425.34149	44.2
443.35162	54.1
447.23563	8.5
449.25159	4.5
451.23044	13.2
475.27112	9.7
477.28128	6.5
569.38068	5.8
575.39850	4.3
587.39349	88.0
605.40839	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62973	3.6
53.03937	11.1
55.01870	7.5
55.05511	32.6
57.03415	9.6
57.07078	47.3
61.02911	12.3
65.03925	5.9
67.05508	23.1
69.03427	51.0
69.07069	46.9
69.61488	25.9
71.04976	4.5
71.08629	34.4
73.02911	8.3
79.05489	25.4
81.02979	3.7
81.03388	16.7
81.07056	40.9
83.08630	33.0
85.02432	5.7
85.02910	90.2
85.10192	25.3
87.04475	10.5
88.86763	3.2
91.05482	31.7
93.07038	38.1
94.20076	3.7
95.04950	9.4
95.08602	36.8
97.02895	37.2
97.10152	15.5
98.21479	7.4
98.75728	3.7
99.04479	3.3
105.06380	4.4
105.07030	31.4
107.04949	7.2
107.08599	36.6
109.02865	9.8
109.06504	7.3
109.10159	33.7
110.55692	3.0
111.11749	3.8
114.39874	3.0
115.05414	4.6
117.07009	11.0
119.04937	5.0
119.08573	22.8
121.02868	3.3
121.06497	27.4
121.10158	11.7
121.42862	3.6
123.08090	6.4
123.11690	13.9
127.03923	24.2
129.07027	9.7
130.07843	3.9
131.08548	34.8
133.06483	13.5
133.10117	23.1
134.79282	3.0
135.04398	5.2
135.08058	14.0
135.11717	7.0
141.06998	8.7
142.07730	3.8
143.08604	16.4
144.09259	3.6
145.04956	12.9
145.06427	5.2
145.10129	42.5
147.08052	17.2
147.11708	18.2
149.06001	13.8
149.09586	9.9
149.13356	3.2
155.08549	9.0
157.10139	16.1
158.44019	3.2
159.08066	25.7
159.11726	18.0
161.09615	12.0
161.13263	5.2
161.92506	3.3
163.11180	4.5
167.07036	10.4
169.10135	7.2
171.08025	3.9
171.11703	9.8
173.09639	31.8
173.13260	13.5
175.07457	4.0
175.11172	14.0
177.09059	6.8
181.10107	6.2
183.11671	15.9
185.09679	8.0
185.13246	9.7
187.11137	12.9
187.14761	5.7
189.09045	5.2
189.12698	5.0
191.10657	21.1
195.11617	5.3
197.13246	10.8
198.10417	4.1
199.11130	5.6
199.14882	8.4
201.12759	43.0
201.16563	5.1
207.11815	3.7
207.13712	8.0
209.13277	7.4
211.14818	8.9
213.12677	7.2
213.16473	4.2
215.14313	32.0
217.12334	5.8
219.13792	10.8
223.14694	4.3
225.16400	7.7
227.14410	5.9
229.12238	3.9
233.15450	19.3
234.14108	3.3
239.14320	3.8
239.17969	31.1
243.13802	9.7
245.15445	5.7
257.15329	7.4
257.19046	9.8
261.14850	12.5
267.17477	14.9
269.18842	6.3
285.18506	74.8
287.20126	6.1
303.19479	14.9
309.22324	4.5
313.21722	7.9
313.25217	20.4
317.24493	4.0
327.23010	9.4
341.24478	5.6
407.32999	20.7
409.18536	7.2
421.21747	4.4
423.20013	23.7
425.34140	45.9
443.35217	23.0
447.23923	5.1
449.25150	6.2
463.27197	6.5
465.24603	6.7
475.26837	6.6
477.28342	7.4
489.28427	7.6
503.30057	4.8
563.39319	5.6
587.39355	57.3
605.30121	6.8
605.40466	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	7.8
55.05500	28.9
57.07075	42.1
61.02935	10.1
65.03937	7.8
67.05492	24.5
68.06790	7.5
69.03423	17.5
69.07069	42.4
69.40880	7.6
69.47316	65.5
71.08631	25.1
79.05495	9.4
81.03416	10.2
81.07066	37.5
83.08611	26.9
85.02906	49.0
85.10177	25.4
91.05469	29.7
93.07063	39.8
95.08607	32.6
97.02903	17.7
97.10178	18.1
98.20525	7.8
99.04459	11.5
105.07025	22.1
107.08606	25.2
109.10143	20.6
117.06995	17.8
119.08606	17.3
121.06526	21.8
127.03928	14.9
131.08575	12.7
133.10136	16.2
135.08044	12.9
135.11681	12.7
137.09581	9.6
143.08574	15.9
145.06483	66.3
145.10139	36.4
149.09621	17.7
151.07591	8.6
153.09062	9.4
159.08080	14.0
159.11691	9.3
161.09679	9.6
171.11737	9.6
173.09619	82.6
177.09111	19.3
177.12738	14.7
187.11195	12.5
201.12791	9.8
215.59627	8.7
239.17894	9.9
267.17484	28.7
285.18433	54.3
297.43121	7.7
299.23706	10.4
317.24741	49.1
328.06729	8.5
328.10660	8.2
335.25876	27.8
386.81766	9.4
405.58133	7.9
407.32953	19.6
419.20499	19.1
425.34125	100.0
443.35297	76.5
447.23859	11.4
465.24716	59.9
529.46454	9.3
587.39087	39.7
605.40228	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	6.5
57.07083	5.6
61.02917	3.3
62.76135	2.1
67.05498	3.8
69.03432	6.8
69.07064	8.0
69.18307	2.2
69.43703	12.3
69.44130	9.4
71.08644	3.8
79.05493	5.2
81.03420	4.6
81.07066	4.8
83.08631	5.9
85.02905	16.4
91.05479	7.6
93.07041	5.2
95.08595	6.6
97.02885	5.6
98.21613	2.7
105.07031	5.9
107.08603	4.8
109.05764	2.2
109.10143	6.2
117.07024	2.8
117.29577	2.6
119.08571	4.9
121.06537	6.5
121.10198	3.2
131.08589	6.4
135.08081	5.9
143.08560	2.6
145.06532	2.7
145.10121	10.1
155.08539	3.2
156.28746	2.3
157.10138	5.8
159.08060	7.1
159.11703	3.7
161.09702	2.9
171.11694	3.1
173.09607	13.7
173.13286	3.1
175.11183	5.2
183.11690	4.4
201.12737	17.2
215.14328	3.7
219.13777	3.5
227.14261	2.7
249.16367	2.6
267.17532	7.4
285.18604	5.2
313.25269	10.9
317.25253	2.7
319.58588	2.5
407.33051	4.4
425.34134	14.4
443.35172	9.4
465.24875	4.2
566.95142	3.0
587.39386	13.7
605.40497	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.05518	5.4
56.25367	0.7
57.03431	1.5
57.07075	3.8
61.02922	2.8
66.25504	0.8
67.05502	2.2
69.03432	5.5
69.07070	9.7
69.29328	3.2
69.29749	5.0
71.04967	0.8
71.08647	4.2
79.05479	2.5
81.03417	1.7
81.07056	3.5
83.08604	5.1
85.02901	11.4
85.10182	2.4
87.04473	1.8
91.05484	3.6
92.10318	0.8
93.07043	6.9
95.04975	1.0
95.08611	5.9
97.02895	4.3
97.10165	3.8
98.20753	1.2
102.94264	0.7
105.07041	5.0
107.08593	5.4
109.02882	0.9
109.06525	1.5
109.10159	3.4
111.11726	1.2
117.07021	2.4
119.08564	3.4
121.02895	2.6
121.06508	7.3
121.10165	2.8
127.03908	3.1
131.08586	2.6
133.10141	2.2
135.08052	4.8
135.11671	1.0
143.08600	1.9
145.10138	4.3
147.08099	1.6
147.11719	1.3
149.05980	1.9
149.09660	2.6
155.08606	1.5
157.10168	2.2
159.08107	1.5
159.11708	3.0
161.09607	2.3
163.07574	2.9
169.10287	1.1
171.11722	1.3
173.09651	2.6
173.13237	1.3
175.11166	1.6
183.11676	1.6
185.13258	1.0
187.14784	1.1
197.13216	1.0
201.12788	3.0
211.14790	1.3
213.12611	0.8
215.14514	1.0
217.15895	0.8
217.73012	0.9
229.15845	1.0
257.15451	2.4
261.18576	1.4
267.17340	0.9
275.16409	1.4
291.42932	0.8
292.17633	1.0
313.25333	1.4
315.27048	1.1
317.24750	33.3
326.94226	0.8
345.11783	0.7
353.47351	0.7
407.33173	2.5
425.34064	5.7
437.21750	3.3
443.35187	15.2
587.39362	2.2
605.40454	100.0
606.40717	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	605.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.05500	4.4
57.03424	1.7
57.07075	5.4
58.75802	1.0
61.02921	1.5
67.05505	3.5
69.03423	7.6
69.07062	6.5
71.08607	2.7
71.58800	1.6
73.02915	1.9
79.05499	4.3
81.03416	2.2
81.07060	6.4
83.08625	5.4
85.02910	12.2
85.10168	2.7
87.04457	3.7
91.05487	3.9
93.07039	4.6
95.04979	1.4
95.08605	7.2
97.02888	5.6
97.10164	2.5
105.07038	4.0
107.04945	1.7
107.08595	3.4
109.02842	2.0
109.06549	1.5
109.10140	4.2
117.07022	3.0
119.08585	2.4
120.72880	1.1
121.06504	5.1
121.10144	2.7
123.11728	1.4
123.29114	1.1
127.03926	1.5
129.07013	1.6
131.08577	3.3
133.10121	3.0
135.08022	2.2
140.67630	1.1
143.08549	2.7
145.10153	7.1
147.11690	1.9
155.08592	2.4
157.10150	4.5
159.08066	6.7
159.11705	3.3
161.09683	1.5
163.07578	1.2
171.11687	1.5
173.09604	8.4
173.13277	2.5
175.11183	3.4
177.12791	3.0
178.13068	1.9
181.10165	1.9
183.11652	2.6
185.13217	1.5
187.11192	1.8
195.11726	2.0
197.13222	2.4
201.12695	12.3
201.76926	1.1
207.10168	1.2
211.14813	1.3
215.14406	3.7
219.13754	5.2
225.12813	1.1
225.16281	1.4
227.14238	1.3
233.15213	1.6
264.16940	1.4
267.17496	4.9
285.18451	3.8
309.22345	1.5
313.25278	8.0
407.33182	4.7
425.34232	11.4
443.35132	4.8
475.26587	1.3
587.39203	7.9
605.40631	100.0
606.41180	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
55.05507	4.5
57.03421	1.7
57.07085	3.9
59.99809	0.6
61.02912	2.0
62.12306	0.6
66.93246	0.7
67.05497	4.3
69.03429	6.5
69.07067	7.6
69.35002	0.6
69.47245	5.4
71.08639	2.1
73.02911	1.0
79.05502	2.7
81.03412	3.4
81.07059	4.3
83.08623	3.3
85.02905	12.9
85.03381	1.2
85.06566	0.7
85.10187	1.2
87.04480	2.2
87.69740	0.7
90.05571	0.7
91.03941	0.9
91.05483	4.9
93.07050	4.6
95.08607	4.8
97.02902	4.9
97.06536	0.7
97.10180	2.4
98.06073	0.8
98.20760	1.4
99.04475	1.2
103.05483	0.8
105.07029	3.5
107.04955	1.9
107.08598	3.5
109.02861	1.6
109.06531	0.8
109.10150	3.5
110.06080	0.8
117.07006	1.3
118.11239	0.6
119.04944	1.9
119.08599	2.6
121.06485	5.0
121.10119	1.3
123.11729	2.0
127.03951	2.6
129.07021	2.3
131.08572	4.0
133.06502	0.7
133.10130	2.6
135.08066	2.9
137.09578	0.7
143.08594	2.5
145.04962	1.4
145.06439	1.0
145.10141	6.7
147.08075	3.3
147.11742	1.1
149.05948	0.7
155.08488	1.5
157.10143	2.1
159.08061	6.3
159.11723	2.6
161.09627	1.5
169.10179	1.3
171.08180	0.7
171.11740	2.1
173.09633	10.5
173.13300	2.4
175.11177	3.3
181.10249	0.7
182.10864	0.8
183.11703	1.8
185.13310	1.3
187.11272	1.8
187.14851	1.1
189.12852	0.8
191.10635	0.8
194.72453	0.6
197.13277	1.3
199.11099	1.0
199.14880	1.0
200.11951	0.9
201.12750	15.1
203.14360	0.9
211.14885	1.2
213.12762	1.8
215.14308	5.5
219.13855	3.9
223.15047	0.8
227.14388	1.4
229.15878	1.4
233.15370	1.5
239.17914	1.1
241.15924	1.3
243.13953	0.7
245.15262	0.8
249.16476	0.9
259.16833	0.8
267.17450	3.3
269.19235	0.8
285.18463	3.6
285.25726	0.8
313.21841	1.1
313.25198	5.5
335.25955	1.5
383.11642	0.6
393.19135	1.3
407.33118	1.5
425.34012	3.6
443.35178	2.8
444.33365	1.2
447.24164	0.7
465.24719	1.0
489.28891	0.9
561.37555	0.9
587.39587	4.8
587.54736	0.8
605.40485	100.0
606.40900	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	605.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01872	0.6
55.05509	4.4
57.03429	1.5
57.07080	4.0
60.17073	0.4
61.02930	2.0
61.50521	0.4
67.05495	2.5
67.69344	0.4
69.03426	6.8
69.07066	7.1
71.01372	0.4
71.04996	0.8
71.08624	2.5
71.59218	0.6
73.02908	1.5
75.19587	0.3
78.20490	0.4
79.05496	2.7
81.03423	3.1
81.07064	4.2
83.08611	3.1
85.02904	11.6
85.06541	0.7
85.10180	1.7
87.04481	1.5
91.03976	0.7
91.05479	4.0
93.07042	5.1
95.04969	0.8
95.08607	4.5
95.87373	0.4
97.02882	5.2
97.06516	0.4
97.10156	2.2
98.98420	0.4
99.04404	0.8
101.02402	0.7
104.10773	0.5
105.07026	4.4
107.04939	2.1
107.08595	2.8
109.02871	1.3
109.06513	0.8
109.10171	2.5
117.07014	1.5
119.04935	1.8
119.08570	3.2
121.06496	5.1
121.10181	1.2
123.08089	0.5
123.11721	1.5
127.03934	3.1
129.07018	1.1
131.08574	3.4
133.06459	0.9
133.10133	1.4
135.08067	2.4
135.11691	0.9
137.13297	0.7
141.07076	0.4
143.08562	2.2
144.57564	0.4
145.04999	1.3
145.06499	1.5
145.10109	5.8
147.08025	2.8
147.11688	1.2
149.09662	0.8
155.08551	1.6
157.10121	2.2
158.10637	0.4
159.08054	5.7
159.11693	2.4
161.09663	1.6
163.11241	0.5
169.10135	1.2
171.08145	0.8
171.11728	2.1
173.09625	10.0
173.11012	0.8
173.13193	2.0
175.11171	2.1
181.10202	0.7
183.11713	1.7
185.09680	1.1
185.13321	1.2
187.11215	2.0
187.14841	1.1
189.12688	0.6
193.10254	0.6
195.11800	1.1
196.67450	0.4
197.13280	1.5
199.11182	1.4
199.14867	0.9
201.12741	12.8
201.16454	0.4
203.14417	1.1
209.13301	0.6
211.11139	0.5
211.14940	1.1
213.12785	1.4
213.16328	0.7
215.14307	3.0
219.13750	3.6
225.12883	0.7
225.16388	0.7
227.14432	0.8
229.15889	1.4
233.15440	1.3
239.14230	0.6
239.17993	1.2
241.16064	0.8
249.16316	0.7
253.15906	0.6
259.17188	0.5
267.17462	3.9
270.02872	0.4
271.16904	0.5
285.18488	3.7
285.25598	0.5
289.25421	0.5
313.21893	0.8
313.25229	5.0
317.24844	0.5
331.26471	0.6
365.32269	0.6
381.19122	1.7
389.32043	0.5
393.19241	1.2
407.33197	2.6
425.34204	5.2
429.88916	0.4
443.35074	2.1
443.61459	0.5
475.27029	1.3
491.30005	0.5
587.39374	3.0
605.40460	100.0
606.40485	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	605.404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.5
53.19854	3.3
55.05512	25.1
57.03423	8.0
57.07073	37.0
61.02919	7.3
66.45942	3.4
67.05516	22.9
69.03435	35.2
69.07066	39.5
71.08629	28.2
73.02912	6.3
79.05485	17.4
81.03399	12.9
81.07066	36.2
83.08625	24.1
83.87395	3.5
85.02428	6.2
85.02906	74.7
85.10177	15.1
87.04456	9.5
91.05464	29.0
93.07044	27.1
95.04971	7.5
95.08604	31.1
97.02908	23.6
97.06500	5.7
97.10158	12.6
104.10760	4.0
105.07033	29.7
107.04942	7.6
107.08582	19.6
109.02891	11.1
109.10151	18.9
111.11693	4.4
117.07027	12.6
119.04943	4.6
119.08575	13.2
121.06509	26.7
121.10139	12.1
123.08083	5.1
123.11749	7.2
126.54504	4.2
127.03908	12.8
129.07018	9.4
131.08539	19.8
133.06476	14.7
133.10124	14.4
135.08041	13.6
142.92230	3.8
143.08572	13.0
145.04962	8.2
145.06479	4.7
145.10136	38.2
147.08040	10.4
147.11702	15.3
149.05939	7.9
149.09599	5.9
155.08516	11.1
157.10103	14.2
159.08032	22.6
159.11740	12.4
161.09622	10.5
161.13235	5.8
166.07916	4.8
167.07031	5.0
169.10165	6.8
171.08060	4.3
171.11647	5.7
173.09645	26.7
173.13190	4.8
175.11195	10.7
177.09082	9.2
183.11690	10.9
185.13165	5.3
187.11153	8.7
189.12682	4.6
191.10645	9.6
195.11757	5.1
197.13333	12.1
199.11234	8.5
199.14836	10.1
201.12740	24.8
209.13243	5.1
211.14810	6.0
213.12735	8.2
215.14363	21.4
217.12299	4.2
219.13876	9.7
223.14668	6.0
227.14241	9.9
229.15915	6.1
233.15372	15.3
233.26709	3.8
239.17949	25.1
243.13728	9.5
245.15396	9.4
249.14719	8.5
257.15424	4.5
257.19000	6.1
261.14755	9.6
267.17358	12.3
271.17001	4.3
285.18509	52.6
299.23669	6.5
303.19522	11.8
313.21884	5.1
313.25177	17.1
317.24762	4.0
389.31882	4.6
393.18704	3.9
407.33130	15.2
409.18369	7.3
423.20190	18.3
425.34128	40.8
443.35248	28.8
447.23618	8.3
465.24472	10.8
473.18726	5.1
489.28378	5.1
563.39587	6.4
587.39551	48.5
605.40381	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	20.2
57.07080	37.6
60.30415	4.7
61.02919	15.1
67.05498	21.0
69.03426	29.8
69.07057	32.7
70.60588	4.5
70.72824	15.0
71.08632	19.9
73.02886	8.3
79.05504	28.0
81.03421	12.0
81.07059	29.7
83.08624	26.8
85.02902	65.2
85.10183	16.8
87.04453	10.0
91.03984	5.4
91.05489	29.5
93.07037	31.0
95.04972	7.2
95.08598	44.1
97.02889	29.5
97.10178	21.1
99.04461	8.8
105.07018	33.8
107.08594	67.4
109.02850	9.0
109.06531	8.7
109.10170	15.3
117.07011	8.8
119.08588	15.1
121.06462	9.9
121.10153	8.5
123.08107	8.0
123.33775	4.5
125.09621	10.6
127.03895	11.9
129.06970	9.8
131.08545	27.0
133.10107	30.6
135.08063	14.3
143.08562	20.3
145.04939	9.1
145.10103	30.7
147.08054	7.9
147.11699	12.6
149.05966	34.5
149.09633	7.2
155.08534	15.1
157.10143	17.5
159.11649	18.3
161.09602	13.6
163.11185	8.7
166.94310	5.1
169.10135	13.5
171.11731	14.3
173.13246	9.8
175.11183	11.9
177.09071	5.7
180.77007	5.9
181.10133	8.8
183.11685	20.8
185.13347	9.1
195.11774	7.8
195.63228	4.4
196.12434	6.8
197.13232	13.3
209.13269	5.8
211.14876	18.1
213.16309	6.9
225.16417	18.1
239.14452	5.7
243.17426	11.8
249.16347	6.4
267.17526	8.8
273.25766	11.8
275.36642	4.9
285.18738	6.5
301.25330	10.1
317.24753	71.8
317.28430	30.3
319.26364	46.4
365.32141	10.9
379.33566	7.2
383.32922	12.8
397.34775	14.8
397.61832	5.8
402.59219	5.2
407.33109	57.3
423.23889	6.4
425.34128	100.0
431.95105	4.7
443.35162	46.4
605.40704	50.1
629.42456	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	605.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70852	0.6
55.05503	1.8
57.07075	1.9
61.31386	0.6
65.48882	0.6
67.05501	3.2
69.04034	0.6
69.07064	2.9
70.06577	0.9
70.65051	0.7
70.65408	2.1
71.08611	0.8
79.05492	1.6
81.03467	0.8
81.07049	3.0
83.08598	2.1
89.06030	2.5
91.05471	2.2
93.07055	1.9
95.05004	0.9
95.08615	2.8
97.10205	0.9
105.07038	2.4
107.08595	0.8
109.06520	0.7
117.07043	1.8
119.08583	1.3
121.10130	1.2
129.06944	0.9
131.08560	1.5
133.10139	0.9
135.11763	0.8
155.08505	0.8
157.10150	0.8
181.10156	1.0
194.93439	0.8
200.45538	0.8
263.17841	0.7
292.19235	0.8
316.78088	0.6
324.85614	0.7
425.33981	0.8
531.38135	0.9
605.28717	100.0
605.42285	3.7
605.89874	1.2
606.28888	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	605.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.4
55.01838	3.0
55.05500	6.6
57.03430	1.5
61.02911	2.0
65.60111	1.0
67.05497	6.0
68.18094	0.9
69.03442	4.9
69.07050	3.3
69.46653	1.8
69.47062	6.5
70.06583	4.7
71.01337	0.8
71.04971	3.9
72.08136	1.7
72.81332	0.9
73.02903	2.0
75.79613	0.9
77.89247	0.9
79.05486	7.5
81.03417	8.1
81.07038	5.3
83.04958	3.5
83.08596	3.1
84.08128	1.7
85.02888	6.3
85.06490	1.1
86.09684	2.0
91.03944	1.9
91.05472	8.1
92.07050	1.2
93.07046	6.1
95.04463	0.8
95.04972	6.3
95.08589	2.2
97.02891	3.2
97.06503	3.1
99.04446	2.8
100.11239	9.0
101.11543	1.2
103.05440	1.6
103.78284	0.9
105.06348	1.5
105.07012	11.2
107.04942	100.0
107.08571	2.2
108.05275	2.2
109.02879	4.1
109.06472	2.0
109.10148	1.2
113.05977	1.5
117.07021	2.3
119.04901	1.9
119.08569	2.9
120.08060	1.5
121.02821	1.6
121.06496	12.4
121.10114	2.2
124.07582	0.9
125.05988	1.6
127.03920	3.8
129.07004	1.8
131.04898	10.4
131.08530	2.9
133.06523	5.7
133.10115	2.2
135.04404	1.7
135.08005	2.0
141.06966	1.4
143.07060	1.0
143.08499	2.4
144.05586	1.1
145.06480	19.1
145.10107	7.9
147.04320	1.6
147.08067	2.5
147.11665	1.7
149.01292	1.0
149.05936	1.5
149.09659	1.1
151.91789	0.9
155.08508	1.3
157.06425	5.9
157.10080	2.9
158.07205	2.2
159.08057	5.9
159.11665	4.3
161.09581	1.4
163.03836	2.8
166.07759	1.2
167.08505	2.0
169.06516	1.8
169.10071	2.1
171.08023	8.3
171.11552	1.3
173.06267	0.8
173.09627	10.9
175.11116	1.3
179.08519	2.7
181.06406	1.7
181.10051	1.4
182.07202	2.4
182.15402	3.0
183.08090	2.9
185.09576	7.9
187.07567	1.4
187.11150	5.6
193.10167	1.7
195.08025	2.9
196.08781	2.5
197.09628	9.9
199.11110	4.2
205.12221	5.2
207.07928	1.0
208.08655	1.7
209.09575	3.9
209.16495	2.7
210.14816	2.6
210.16730	1.1
211.07613	2.4
211.11142	7.0
213.05368	1.8
213.09122	2.3
215.10674	9.0
215.14119	1.3
221.02917	2.8
221.09509	1.5
224.08205	1.8
225.09048	5.6
227.10678	4.9
233.02664	9.7
233.11609	5.2
235.11450	1.3
239.04044	1.2
239.10599	13.2
245.11681	3.6
251.11026	1.3
253.12816	3.4
261.09003	1.2
261.12820	1.3
269.12222	1.7
271.14056	3.7
277.12119	1.1
279.13620	5.2
293.15372	2.9
297.14874	1.5
303.13776	2.7
311.16382	2.9
317.06647	1.4
321.14789	8.6
323.02591	1.0
339.15775	5.8
395.14035	2.9
400.63113	0.9
413.14987	5.6
431.15359	4.7
443.17136	1.1
449.16266	1.5
483.20029	1.2
587.15881	1.0
587.19617	0.9
605.18054	13.4
605.26636	1.9
605.35077	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.0219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.93517	1.1
67.05482	0.8
69.03409	2.1
70.06585	7.1
72.08148	1.2
72.93771	1.8
81.03407	4.8
84.08115	2.0
85.02913	2.4
86.09708	2.5
87.04475	1.4
89.06023	2.6
95.04961	0.8
97.02895	2.4
98.21500	2.5
99.04478	1.1
103.03922	4.1
103.92015	0.8
107.04922	4.9
109.02860	6.0
110.07122	0.8
121.02932	1.0
129.10242	1.4
132.95796	2.3
133.08607	1.6
137.02356	1.3
137.05916	1.4
150.96848	1.2
151.03966	1.0
158.97386	2.4
176.98410	1.5
188.90999	0.8
191.98486	0.9
198.54158	0.9
198.96831	1.2
216.97984	1.1
224.94847	0.8
230.55672	1.0
234.96864	0.9
234.98967	3.4
243.10757	1.4
269.12341	0.9
272.98343	1.3
273.03815	1.0
277.00174	0.8
289.98370	0.9
300.97916	6.7
301.98450	1.2
303.04944	10.5
310.96350	1.8
316.97507	3.7
317.98120	1.4
318.98828	3.8
319.99268	1.1
326.95978	1.2
328.97348	7.2
334.98404	2.2
342.95288	2.2
344.96829	3.8
345.97519	1.8
346.98398	5.6
354.95044	0.9
356.96729	14.5
357.97354	1.4
359.95544	4.3
360.96146	2.2
362.97931	7.5
372.96375	5.4
373.96964	1.8
374.97937	100.0
375.98267	7.7
387.95044	9.5
388.95804	31.9
389.96191	2.6
390.97318	7.2
391.98206	15.5
392.98953	86.9
393.99451	5.8
394.99060	1.4
397.99448	6.3
415.97882	3.9
416.98947	30.1
427.98380	2.1
428.98871	7.5
433.99402	3.3
435.00113	4.6
440.98950	10.4
443.00464	1.3
446.99698	2.7
452.98981	14.8
455.00598	1.9
458.99704	3.2
460.97711	2.0
464.98853	4.1
470.99969	5.2
483.00150	11.5
489.00534	1.2
494.01385	0.9
494.99966	1.4
501.00986	11.2
513.01410	1.2
519.02155	29.0
525.01141	2.4
543.01147	0.9
561.02899	0.9
604.07349	0.8
605.01660	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31553	0.5
53.03931	0.9
55.01870	1.9
55.05505	10.3
57.03441	1.1
57.06784	0.7
57.07071	13.6
61.02921	0.6
62.06073	0.5
65.03921	0.8
67.05501	9.8
69.03423	1.2
69.07063	69.3
70.04074	1.4
70.07481	0.5
70.07836	2.4
71.04996	1.0
71.33006	0.6
71.33349	0.9
79.05490	8.3
79.64710	0.4
81.03413	1.4
81.07050	8.4
83.04939	1.5
83.08620	4.6
85.02895	0.6
85.06509	0.7
86.09715	1.3
91.05470	6.3
92.05779	0.9
93.07048	5.0
94.09473	0.5
95.04976	2.2
95.08602	5.7
97.02872	0.5
97.06535	1.9
97.10162	5.5
98.06850	0.5
99.00010	1.5
99.89774	0.5
100.32997	0.4
101.09662	0.5
104.10727	1.1
105.07021	6.4
106.07372	0.6
107.04942	2.4
107.08585	5.3
109.06514	1.0
109.10162	2.0
111.04451	0.6
111.08080	1.1
113.01591	0.8
115.07558	20.8
117.07021	1.7
119.08578	4.0
120.05526	0.5
120.08936	0.7
121.06474	0.9
121.10145	2.0
123.08074	0.9
123.11681	0.9
125.09623	6.3
126.99458	4.6
129.01015	8.4
129.07021	0.8
131.08565	1.8
132.71739	0.4
133.06438	0.4
133.10144	3.4
134.10460	0.9
135.01440	0.4
135.08078	1.3
135.11703	1.4
141.01009	9.8
143.08557	0.7
145.10138	2.2
147.11716	2.0
149.09592	1.0
153.09154	0.5
154.30534	0.4
155.02562	4.6
155.08583	0.5
157.10133	0.8
159.11676	1.3
161.09602	1.2
161.13251	1.3
163.11118	0.5
169.09999	0.5
171.10219	0.5
171.11632	0.7
173.13295	0.9
173.83432	0.5
184.07329	0.9
189.11217	4.8
190.09798	0.6
197.07272	41.1
224.02036	0.5
225.06740	4.3
257.19061	0.6
275.20059	5.2
276.20398	1.5
293.21054	0.6
294.10013	100.0
476.56470	0.5
491.15164	0.5
545.28339	0.7
604.31140	4.4
604.40930	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51374	3.6
53.03947	3.4
55.01874	24.6
55.05257	6.1
55.05509	78.8
57.03427	10.1
57.07067	10.2
59.04991	4.0
65.03931	4.3
67.05164	6.7
67.05505	100.0
69.03428	8.4
69.06712	6.9
69.07066	96.0
71.04974	7.8
79.05048	6.8
79.05490	85.2
81.03408	13.8
81.07052	96.6
83.04964	15.2
83.08616	54.4
85.02885	6.9
85.06506	6.7
87.64108	3.6
91.05473	67.6
93.07040	86.3
95.04965	20.5
95.08602	74.1
97.06529	27.5
97.10168	51.3
97.31493	3.4
98.21535	7.1
99.08104	6.2
105.06364	7.2
105.07020	77.7
105.07671	6.3
107.04945	21.8
107.08582	53.1
109.06509	13.8
109.10150	43.4
111.08063	10.0
115.07610	5.4
115.71313	3.9
116.08191	4.4
117.07008	32.4
119.08580	65.8
121.06479	14.1
121.10141	30.6
123.08029	10.9
123.11695	11.8
125.09623	33.9
128.06210	4.6
129.06996	16.9
131.08565	47.3
132.38126	3.8
133.06496	9.0
133.10124	46.5
135.08041	10.7
135.11673	21.1
137.09610	10.9
139.11172	4.5
141.06970	10.7
143.08548	16.9
144.09419	4.5
145.06566	4.8
145.10120	39.8
147.08110	4.6
147.11678	32.4
149.09634	20.4
149.13240	6.2
151.11154	6.0
153.09090	4.8
155.08521	10.6
157.10123	18.6
159.08069	5.3
159.11694	21.9
161.09616	4.5
161.13220	12.3
163.11174	12.8
165.12778	4.0
167.08498	6.8
169.10100	12.0
171.11653	14.9
173.13248	13.4
175.11131	6.5
177.12761	9.8
183.11703	10.4
185.13284	10.4
187.11151	5.2
187.14830	6.8
189.11192	27.0
189.12762	6.9
195.11713	7.1
197.07227	14.8
197.13307	11.6
199.11241	3.9
199.14822	5.5
209.13329	7.3
209.15347	4.1
211.14912	6.0
213.16348	4.2
227.17923	4.0
239.18007	4.0
247.20576	4.6
252.15871	5.5
257.18927	11.8
267.20654	4.2
273.18536	7.4
275.20044	97.5
277.21649	4.6
285.22116	5.7
291.19489	23.2
293.21091	9.7
294.09970	37.2
301.21625	9.1
319.22565	7.7
327.23291	4.6
363.26639	5.8
367.17938	6.0
399.29050	11.3
431.18814	7.6
455.31467	10.3
457.33203	6.3
469.32391	5.2
473.32483	10.3
549.39081	8.7
567.40521	22.8
585.41602	22.1
603.41772	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	603.425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.9
55.01852	13.5
55.05508	34.6
57.03410	4.1
57.07049	6.7
65.03922	4.9
67.05503	59.1
69.03412	7.7
69.07066	50.8
71.04962	4.0
71.60144	5.7
79.05491	53.3
81.03401	12.6
81.07056	79.0
83.04989	7.1
83.08601	21.3
83.65363	3.4
85.02909	4.9
85.06524	4.5
91.05467	64.0
93.07041	56.7
95.04946	16.7
95.08597	56.8
97.02843	7.0
97.06538	8.7
97.10143	13.4
102.22621	3.4
105.07029	59.1
107.04944	11.0
107.08590	43.1
109.06477	9.0
109.10156	25.4
110.13548	4.0
111.08064	6.8
115.07571	5.2
117.07002	24.3
119.08581	52.5
121.06484	6.5
121.10134	28.4
123.08037	6.5
123.11684	9.1
125.09587	15.1
129.06999	8.7
131.08577	28.0
133.10132	45.0
135.08018	10.3
135.11659	16.6
137.09587	5.2
139.11153	4.7
141.00993	3.6
143.08554	6.4
145.10100	26.5
147.08040	6.6
147.11711	27.7
149.09583	14.0
149.13268	8.4
151.11180	9.5
155.08533	5.0
157.10095	10.6
159.11705	18.8
161.09590	3.9
161.13254	10.7
165.12708	5.7
171.11627	8.8
173.13248	8.0
175.14891	5.6
177.12723	3.8
181.10013	4.5
183.11690	5.8
185.13245	5.5
187.14720	6.2
189.11230	6.8
195.13826	5.0
197.07207	15.2
229.19551	7.6
235.16730	4.6
239.17973	6.7
257.18948	8.2
263.20013	4.1
275.17264	6.8
275.20053	100.0
277.21738	5.1
280.44370	3.9
291.19449	5.1
293.20990	13.1
294.10004	28.8
303.32809	4.1
317.06631	25.2
323.55011	3.7
495.30334	3.5
549.40100	5.1
603.33014	5.4
603.42389	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	603.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.4
55.01873	18.0
55.05256	3.5
55.05509	52.0
56.67997	2.8
57.03429	6.0
57.07073	14.0
58.25652	2.8
64.24252	2.3
65.03923	5.5
67.05502	68.7
69.03412	5.2
69.07065	100.0
70.04077	2.2
70.26593	10.3
71.04977	6.6
79.05491	55.8
80.63868	2.3
81.03403	6.9
81.07056	80.4
83.04963	6.9
83.08614	31.3
85.06551	5.3
85.22684	2.4
87.90992	2.3
91.05475	56.9
93.07039	53.2
95.04977	16.6
95.08607	54.1
97.02909	2.4
97.06531	24.8
97.10172	35.8
99.08097	4.1
105.07028	60.0
107.04954	14.1
107.08585	44.9
107.87788	2.4
109.06519	13.5
109.10152	28.1
110.17191	2.2
111.08092	5.6
115.07568	17.3
117.07001	17.6
119.08575	43.9
121.06504	9.5
121.10147	24.1
123.08057	8.9
123.11703	5.9
125.09641	28.4
128.06236	3.5
129.01022	8.9
129.07016	12.1
131.08565	26.1
133.06506	4.6
133.10132	31.7
135.08041	8.1
135.11691	14.0
137.09621	5.9
139.11148	2.5
141.01016	9.9
141.06929	4.7
143.08528	16.1
145.10117	25.2
147.08054	5.8
147.11681	23.4
149.09605	14.5
149.13277	8.5
151.11194	4.3
155.02568	5.3
155.08562	9.1
157.10117	12.3
159.08009	3.7
159.11717	22.1
161.09686	2.9
161.13245	8.9
163.11201	12.1
165.12650	3.5
169.10138	10.8
171.08046	3.1
171.11668	12.7
173.13283	9.2
175.11174	4.6
177.12718	5.2
181.10147	5.0
181.12231	3.6
182.81288	2.5
183.11743	7.3
185.13266	6.5
187.11240	2.8
187.14879	4.2
189.11205	16.4
189.12677	3.9
195.11699	3.3
197.07291	40.9
197.13290	6.8
199.11214	2.6
199.14821	5.8
209.13219	3.7
211.13203	5.3
211.15054	2.8
221.15190	2.4
223.14911	2.6
227.18004	2.6
229.19618	3.5
231.17516	2.6
257.18973	8.6
273.18256	2.4
275.20035	57.9
277.21658	8.9
285.22006	4.6
289.21722	5.2
291.19537	17.8
293.21130	12.7
294.10034	83.1
301.21445	4.1
302.20544	2.4
303.22806	2.6
316.11865	2.8
319.22934	5.2
323.20398	2.6
323.24661	2.7
361.25125	2.7
381.28076	6.0
399.28964	10.7
413.30212	3.0
431.18936	6.0
455.31586	3.4
457.32678	3.4
473.32715	5.8
487.34265	3.7
531.38538	2.7
549.39343	8.9
567.40485	14.6
585.41266	9.6
603.41779	7.5
604.31464	3.3
631.14722	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	603.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46809	1.7
53.03938	7.4
55.01867	22.9
55.05508	65.2
57.03428	5.6
57.07073	2.1
57.59340	1.9
61.02941	3.0
65.03942	5.1
67.05501	78.7
69.03429	6.9
69.07064	49.2
69.80156	10.9
70.06590	4.8
71.04990	5.9
73.06577	2.1
77.72825	1.8
77.89886	1.7
78.82277	2.0
79.05489	61.9
81.03416	10.5
81.07053	98.8
83.04964	10.4
83.08613	38.7
85.02903	7.0
85.06537	6.6
91.04893	3.1
91.05473	65.4
93.07039	65.4
95.04957	22.0
95.08596	71.9
97.06526	25.0
97.10162	25.9
99.08082	4.2
103.05447	3.3
105.07022	65.7
107.04942	27.2
107.08582	45.8
109.06495	20.1
109.10140	29.7
111.04446	2.1
111.08076	9.4
115.05429	2.9
117.06995	24.4
119.08575	56.6
121.06514	13.2
121.10131	33.4
123.08055	8.6
123.11703	6.2
125.09639	15.7
128.06190	3.5
129.06998	14.7
130.07814	3.1
131.08563	41.9
133.06461	3.8
133.10120	38.7
135.08044	12.4
135.11664	15.6
136.07619	4.5
137.09604	7.2
139.11212	4.6
141.07004	4.3
141.59647	2.0
143.08542	14.7
144.09445	2.4
145.06471	5.4
145.10112	35.5
147.08063	6.7
147.11679	25.0
149.09605	19.4
149.13217	6.1
151.11179	3.4
153.09131	2.2
154.63306	2.0
155.08545	10.5
157.10112	19.0
159.08020	4.1
159.11678	21.8
161.09619	7.5
161.13246	9.6
163.11160	12.7
163.14868	3.1
165.09132	3.9
165.12750	4.4
166.08713	2.2
167.08661	3.9
169.10162	9.4
171.11655	12.2
173.09628	3.3
173.11871	3.4
173.13243	14.9
175.11232	7.7
175.14847	4.4
177.12714	5.7
181.10164	3.4
183.11697	12.0
185.09572	2.3
185.13255	10.2
187.11186	5.8
187.14821	5.3
189.11235	10.9
189.12758	4.6
191.14240	3.3
193.12196	3.9
195.11716	4.0
195.13712	2.6
197.13292	7.4
199.14873	4.8
201.12639	3.4
209.13268	4.0
211.14838	5.5
213.12694	3.4
213.16483	4.8
215.17937	2.8
221.15337	3.2
223.13145	3.1
223.15007	3.8
225.16397	2.9
229.19476	4.9
235.16905	7.7
239.18007	6.9
247.20503	2.5
249.18565	3.4
255.17467	3.9
257.18988	12.2
263.20163	2.4
265.21692	2.4
273.15112	3.0
273.18405	5.0
275.20062	100.0
275.23083	4.9
277.21451	9.8
285.22128	3.0
289.21698	4.0
291.19534	10.0
293.21069	24.7
301.14517	3.8
301.21603	5.9
303.23114	3.7
305.21121	2.8
313.21420	3.0
315.23227	3.7
319.22711	2.4
327.23132	4.3
331.22659	3.3
393.26752	3.1
395.29507	4.9
397.31003	3.2
399.28793	3.6
413.30301	4.3
425.30304	2.5
431.31421	3.8
439.31973	4.5
443.31400	6.0
445.33124	5.7
455.31473	6.4
457.33002	9.1
461.32544	13.8
469.32846	3.5
473.32510	10.8
475.34537	3.1
487.34042	3.4
513.36169	2.7
531.38354	5.4
549.39294	10.8
567.40271	24.2
585.32611	3.1
585.41602	18.1
603.18201	2.9
603.33301	3.0
603.42938	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	603.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.5
55.05512	32.0
57.03432	2.3
57.07077	9.8
61.02922	3.6
67.05496	10.5
69.03420	17.4
69.07068	28.0
70.76403	2.2
71.04990	2.6
71.08624	6.9
73.02922	2.6
79.05489	11.4
81.03398	4.7
81.07059	18.5
83.04948	2.2
83.08618	45.3
85.02901	26.8
85.10167	3.0
86.38808	2.1
87.04482	2.6
91.05481	13.1
93.07047	26.7
93.63426	1.8
95.04954	3.6
95.08617	18.8
97.02883	13.8
97.06545	1.7
97.10166	9.8
99.04425	2.6
105.07013	13.1
107.04948	3.8
107.08595	22.3
109.02884	4.6
109.06493	4.3
109.10140	11.2
114.91998	1.7
117.06982	2.5
119.05000	2.6
119.08572	14.4
121.06519	6.6
121.10128	16.9
123.08059	3.7
123.11697	3.1
127.03915	7.8
128.07018	1.7
131.08574	8.1
133.06487	2.4
133.10101	11.4
135.08067	8.7
135.11729	4.1
137.09642	2.6
138.81152	1.6
143.08592	6.6
145.05002	5.6
145.06485	6.4
145.10110	11.2
147.08095	4.5
147.11740	2.6
149.09602	4.4
155.08479	4.8
157.06461	2.5
157.10121	7.7
159.08063	5.5
159.11736	6.1
161.09589	12.9
161.13245	3.9
162.04829	1.9
163.11264	3.5
163.14777	2.8
169.10110	3.2
171.11763	5.2
173.09666	9.7
173.13243	3.3
175.11197	4.3
177.16408	3.5
181.10036	2.9
183.11696	5.4
185.09618	2.7
185.13290	8.0
187.11240	4.1
189.12831	3.1
195.11763	3.4
197.13272	4.7
199.11171	3.9
199.14850	3.6
201.12656	10.0
201.16521	2.2
205.19571	2.2
209.13385	4.3
211.14838	4.7
213.12781	3.6
215.14140	2.6
220.59102	2.2
227.14322	5.6
229.15892	6.3
231.13805	3.0
233.15341	2.8
239.14235	2.2
239.17958	4.9
247.17097	3.4
253.19691	2.2
257.15430	2.6
265.16080	2.4
267.17496	7.6
283.17017	6.4
285.18494	23.5
297.22281	2.3
301.18124	3.9
303.19351	13.1
321.22183	3.4
322.18945	2.1
339.23291	6.2
357.24277	3.3
405.31625	8.8
409.22729	2.7
423.32651	14.9
441.33948	12.0
447.23840	4.0
463.23346	15.0
465.24863	9.0
493.48132	2.4
501.28436	6.6
519.29688	3.7
585.37817	14.7
603.38947	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.05511	22.1
55.46500	1.1
57.03435	1.3
57.07071	4.8
57.41344	1.1
61.02913	2.1
67.05495	5.1
69.03421	9.3
69.06728	1.5
69.07068	21.9
70.10181	4.0
71.08627	5.2
73.02907	2.2
73.39178	1.3
79.05479	4.0
81.03402	2.8
81.07063	10.8
83.08617	37.0
85.02902	14.6
91.05473	8.1
93.07040	10.8
95.04960	2.4
95.08604	10.9
96.08163	1.2
97.02904	6.0
97.10162	6.6
105.07033	8.9
107.08586	9.4
109.02880	2.2
109.06506	1.6
109.10155	6.4
111.08064	1.4
117.07007	1.8
119.08553	6.0
121.06493	5.6
121.10127	4.9
123.08061	1.7
123.11668	1.8
127.03936	3.8
129.07024	1.5
131.08603	5.4
133.06445	1.4
133.10138	4.5
135.08078	3.5
135.11684	2.8
137.13277	1.8
143.08556	3.1
145.10103	5.3
147.08046	4.7
147.11711	1.8
149.09628	2.7
149.13261	1.8
155.08501	1.4
157.06487	1.1
157.10107	4.0
159.08067	3.4
159.11716	1.7
161.09581	4.5
161.13281	1.2
169.10104	1.7
171.11728	1.8
173.09644	5.1
173.13274	2.4
175.07535	12.0
175.11147	3.5
175.14786	1.6
177.09047	1.5
183.11751	2.4
185.13313	2.7
191.10631	1.3
193.08594	1.8
193.12273	1.9
199.14789	1.4
201.12761	2.5
209.13216	2.3
213.12785	1.6
219.13837	1.3
225.16292	1.3
227.14211	1.6
229.15865	1.7
231.14012	1.2
233.15257	1.6
237.16357	1.3
239.17989	2.3
241.19592	1.2
257.15302	2.4
265.15823	1.4
265.19327	1.3
267.17389	3.2
269.18976	1.2
283.16980	3.7
285.18436	7.2
287.20139	1.4
297.22147	1.7
301.17896	2.9
303.19684	2.3
315.23230	13.9
321.22128	1.9
393.18338	1.5
405.31339	2.1
423.32208	9.0
441.33524	16.6
447.23822	2.9
463.23038	9.6
465.24573	2.0
585.37561	2.5
603.38818	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.1
55.01880	3.6
55.05508	16.4
57.03416	6.2
57.07071	6.4
61.02925	6.8
63.53281	2.8
67.05504	17.6
69.03439	18.5
69.07081	22.7
69.73154	2.9
70.06592	3.6
71.08640	3.6
71.60002	5.9
73.02945	2.9
79.05479	23.5
81.03419	7.7
81.07060	33.9
83.08623	12.3
85.02911	38.0
85.10182	6.4
87.04434	4.9
91.05491	24.6
93.07034	45.5
95.04978	9.0
95.08597	41.1
97.02898	12.7
97.10185	7.1
99.04441	3.4
105.07008	19.6
107.04948	7.0
107.08591	100.0
108.62929	2.8
109.02871	5.0
109.06507	6.2
109.10159	24.6
111.08065	3.8
117.07038	4.4
119.04975	4.2
119.08587	15.1
121.06528	18.0
121.10139	48.6
123.11709	8.3
127.03925	9.9
129.06935	4.2
131.08585	6.5
133.06471	7.4
133.10132	6.6
135.08046	7.6
135.11696	16.3
136.75182	3.2
137.13254	28.1
143.08556	4.9
145.04984	4.5
145.06474	5.4
145.10135	14.1
147.08055	10.0
147.11684	6.2
149.06009	6.6
149.09673	4.5
149.13312	10.1
155.08571	6.4
157.10135	10.8
159.08052	19.1
159.11697	9.7
160.01146	3.1
161.09621	8.1
167.14342	3.5
169.10179	4.5
171.11746	8.5
173.09662	16.4
175.11221	8.5
175.14793	3.6
177.16417	14.1
183.11693	8.2
185.09677	3.8
185.13257	11.6
187.11226	4.8
187.14787	3.5
191.17885	27.2
195.11676	3.5
199.11139	5.1
199.14882	10.4
201.12740	39.9
203.14374	3.8
205.19611	8.7
209.13274	5.0
211.14804	8.3
213.12822	12.3
213.16339	4.2
215.14273	18.8
219.13814	7.7
221.13170	4.2
227.14259	23.3
229.15860	6.9
231.13722	3.6
233.15323	15.9
234.75352	3.1
239.14436	4.0
239.17949	6.0
240.65077	3.2
241.15717	3.2
245.12962	3.3
245.15469	10.6
247.16988	7.1
257.15393	10.8
257.18771	3.3
285.18542	6.7
303.21228	5.8
311.23511	3.7
321.22260	5.4
339.23294	4.3
387.30389	9.9
393.19131	11.8
405.31583	14.7
407.20645	12.0
409.21893	4.6
423.32391	4.7
431.18887	3.7
441.33588	4.5
447.23853	5.0
449.25259	8.7
450.32913	3.3
475.26575	5.1
477.28479	7.2
487.26791	7.4
501.28494	56.2
567.36658	14.8
585.37836	82.0
603.39111	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.0
55.05271	3.0
55.05509	44.5
56.60774	2.5
57.07072	18.7
57.96603	2.6
61.02925	4.5
67.05490	10.8
69.03432	17.6
69.07069	38.2
69.88984	9.8
69.89406	5.0
71.08614	8.7
73.31634	2.5
78.12232	2.5
79.05479	9.6
81.03413	6.4
81.07048	25.0
83.08616	100.0
85.02907	33.1
91.05460	11.0
93.07033	13.7
95.04957	3.4
95.08604	21.6
97.02882	10.3
97.06523	3.2
97.10151	15.9
99.04460	3.8
105.07040	14.6
107.08582	27.8
109.02845	4.7
109.06503	6.9
109.10157	12.0
111.08101	3.3
117.06992	3.9
119.08550	8.6
121.06477	3.8
121.10126	7.5
125.09618	4.7
127.03905	6.1
129.06993	4.0
131.08568	13.1
133.10123	9.3
139.14822	7.3
141.07001	4.0
143.08560	7.5
145.04922	4.1
145.10135	9.1
147.08051	4.5
147.11690	5.8
157.10138	10.5
159.11707	5.0
161.09602	8.1
163.11166	3.4
169.10124	7.2
171.11678	2.5
173.09624	5.4
173.13246	4.0
174.75319	2.8
175.11171	5.7
175.14769	4.0
177.09073	13.3
179.10904	3.1
185.13284	10.3
187.11130	3.6
189.12766	2.6
197.13260	4.0
199.14771	3.4
201.12709	3.3
211.14761	5.6
213.16339	2.6
217.12267	3.4
221.13347	3.2
225.16454	4.3
237.16446	3.4
249.16382	3.6
255.17290	3.6
267.17313	7.9
283.16809	6.8
285.18643	12.9
299.23645	7.6
304.51599	2.5
317.24686	12.6
405.31461	17.2
423.32516	39.4
441.33521	8.9
603.38544	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	603.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.5
55.01864	2.3
55.05522	12.0
55.28039	1.9
57.03415	1.9
57.07076	3.3
58.18282	1.8
66.09007	1.8
67.05492	7.5
69.03415	2.9
69.07067	18.8
70.06595	10.3
71.59576	3.0
78.59789	2.1
79.05505	4.5
81.03358	2.4
81.07083	12.2
83.08624	11.5
84.04478	3.4
84.08145	3.5
85.02895	11.6
86.09690	4.9
91.05483	8.2
93.07045	9.3
95.08607	9.6
97.06544	2.7
97.10183	8.0
98.51397	2.3
105.07020	5.0
107.04923	4.8
107.08606	5.9
109.10159	5.4
117.07000	3.4
119.08567	5.6
121.02833	2.1
121.10173	4.7
123.11673	2.9
129.10278	2.2
131.08600	3.2
135.08032	3.1
141.06940	2.3
142.07803	2.6
143.08626	5.4
145.04977	2.8
145.10136	5.0
155.08521	4.5
157.10149	5.8
158.11037	2.2
159.11668	4.0
169.10132	7.0
171.11746	4.6
173.09627	4.4
179.92078	2.1
181.10115	2.6
183.11615	4.7
185.13274	2.3
195.11713	4.6
197.13266	2.1
199.11263	2.5
201.12782	4.2
207.11693	3.1
209.13286	4.7
211.14813	5.8
221.13289	2.6
223.14790	3.6
237.16278	2.2
241.12433	2.8
247.14995	3.1
254.40601	2.4
264.15182	2.2
405.31540	26.8
423.32645	100.0
441.33475	4.1
603.39246	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	603.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	15.5
57.03429	2.2
57.07069	8.5
57.46685	2.2
67.05497	9.9
69.03435	9.5
69.07076	19.1
69.56026	9.1
69.56441	9.1
71.08643	2.9
79.05507	7.1
81.07056	19.9
83.08626	31.9
85.02905	14.4
86.17406	2.3
91.05485	7.2
93.07040	17.5
95.08626	18.0
97.02888	6.3
97.10170	5.1
105.07022	8.1
107.08581	14.9
109.02893	2.7
109.10159	7.9
110.47944	2.5
115.05492	3.9
117.07015	6.9
119.08569	7.3
121.06483	6.6
121.10139	9.4
123.11732	4.1
127.03931	2.6
129.07083	2.4
131.08563	4.7
133.10139	3.2
135.08066	7.0
135.11708	4.2
137.09581	2.3
142.01749	2.2
143.08488	2.8
145.06488	56.6
145.10114	5.1
147.07974	3.8
157.10112	4.6
159.08064	6.9
159.11716	3.2
161.09697	3.3
171.08151	2.8
171.11734	3.8
173.09628	16.2
176.57883	2.3
177.09212	3.9
177.16368	11.1
185.13237	2.9
195.11621	2.5
197.13197	2.5
199.11191	2.8
199.14790	2.3
201.12770	9.4
213.12950	3.0
215.14349	5.3
217.43822	2.9
219.13695	3.0
227.14279	2.6
233.15306	3.9
239.14307	4.9
267.17374	4.3
285.18503	6.2
315.23273	5.3
387.30246	2.8
405.31473	4.6
419.20932	11.3
423.32465	5.5
441.33496	7.8
465.24796	10.3
585.37842	9.2
603.38782	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00322	1.6
53.03941	4.7
53.61789	1.4
55.01863	1.7
55.05512	56.1
57.03429	2.1
57.07077	21.7
58.80543	1.5
59.31496	1.4
61.02919	5.1
63.00105	1.5
67.05503	13.9
69.03428	19.7
69.07072	47.7
71.04997	1.8
71.08628	8.2
71.08956	1.3
71.50827	1.8
71.51177	2.1
73.02906	3.6
79.05497	18.7
81.03425	7.6
81.07057	59.4
83.01366	1.8
83.05000	2.0
83.08622	100.0
85.02907	34.8
85.10188	3.1
87.04469	3.8
91.03949	2.0
91.05475	16.4
93.07036	17.5
95.04947	2.6
95.08609	24.3
97.02889	14.6
97.06512	4.1
97.10173	19.7
99.04445	2.4
105.07037	16.2
107.04981	1.9
107.08590	30.9
109.02885	2.7
109.06515	4.3
109.10153	16.3
111.08069	2.5
115.05408	1.6
117.07038	4.8
119.08582	14.6
119.63210	1.4
121.06501	5.6
121.10152	8.4
123.08038	4.1
123.11717	3.0
125.09637	6.8
127.03915	7.3
128.06204	1.6
129.06992	5.4
130.07832	1.5
131.08559	14.8
133.06459	4.2
133.10123	7.9
135.08093	5.8
135.11653	4.3
139.14824	7.0
142.07744	2.1
143.08563	9.4
145.04947	5.8
145.10114	13.0
147.08049	4.0
147.11703	4.2
149.05957	12.5
149.09607	3.7
149.13293	5.0
151.14899	2.1
155.08563	5.3
157.10136	9.9
159.08055	3.2
159.11670	8.7
160.08795	2.2
161.09674	8.1
161.13263	2.6
163.11160	2.5
167.08577	2.0
169.10155	5.4
169.55101	1.4
171.11678	6.1
173.09608	3.6
173.13254	3.7
175.11174	13.1
175.14838	5.3
177.09113	16.3
177.16418	3.4
179.08412	1.6
179.10635	1.6
181.10132	3.2
181.15889	7.9
183.11726	6.7
185.13251	6.5
187.11177	2.7
187.14806	3.6
195.11716	3.6
197.13313	5.3
201.16374	3.3
203.14365	3.8
207.11862	1.4
209.13231	3.5
211.14861	5.4
213.12781	3.5
213.16333	4.4
215.14378	3.9
217.15965	1.9
223.14862	3.6
223.59839	1.4
225.16473	3.3
227.14276	1.6
229.15849	2.5
231.13815	2.7
233.15364	2.0
239.14265	3.6
239.18007	4.6
241.15683	2.4
243.17465	3.2
249.16319	2.5
251.17995	1.8
255.17400	2.2
257.15515	1.9
257.19034	2.0
265.15778	2.8
267.17426	11.8
269.19229	2.0
281.22635	1.5
283.16907	3.0
284.17465	1.7
285.18466	12.4
297.22205	3.2
299.23712	7.9
303.19485	2.8
315.23172	11.8
315.26892	7.5
317.24838	9.9
381.31323	2.3
395.33081	3.0
405.31577	20.9
423.32507	42.2
437.21652	3.6
441.33536	13.1
477.28448	2.4
505.27719	5.2
519.29456	7.5
585.37451	4.8
603.38666	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.8
55.01859	5.0
55.05510	42.9
57.03432	9.1
57.07066	20.9
61.02909	10.4
67.05502	18.9
69.03428	33.8
69.07064	58.6
70.08969	10.4
70.09360	8.0
71.04990	5.8
71.08625	9.7
79.05481	22.4
81.03410	10.6
81.07050	47.0
83.08151	4.3
83.08615	64.5
85.02422	5.5
85.02902	55.0
85.10186	10.3
87.04472	6.0
91.05477	31.2
93.07034	42.6
95.04981	3.2
95.08598	43.0
97.02879	20.5
97.10169	15.5
98.21494	4.0
99.04453	3.9
101.42339	3.5
105.07026	31.7
106.25323	3.0
107.08583	48.0
109.02854	8.0
109.06520	6.5
109.10159	29.8
111.11703	3.9
117.07016	6.5
117.68911	3.3
119.04942	5.7
119.08562	18.7
121.06477	16.5
121.10140	33.0
123.08060	5.3
123.11706	13.2
127.03905	13.7
128.06177	4.1
131.08546	17.6
133.06453	5.3
133.10130	16.5
135.08078	8.9
135.11694	14.2
137.13254	21.1
143.08530	15.2
145.04958	8.2
145.06418	4.7
145.10121	22.0
147.08040	12.9
147.11693	6.8
149.05960	4.8
149.09581	7.5
149.13258	4.7
151.14784	3.7
155.08551	10.5
156.09213	4.6
157.10112	15.9
159.08112	8.4
159.11719	12.9
161.09589	8.1
163.11188	6.9
169.10139	11.9
171.11665	11.3
173.09631	17.1
173.13261	9.4
175.07579	5.7
175.11188	6.6
177.09161	3.5
177.16437	7.6
181.10149	6.1
183.11676	9.2
185.13297	7.1
187.11282	7.6
189.09125	5.3
189.12762	5.6
191.10658	8.0
191.17961	6.9
193.10089	4.3
195.11696	8.2
197.13257	6.6
199.11136	5.1
199.14828	8.2
201.12723	21.6
205.19550	10.5
209.13271	5.3
211.14862	7.1
213.12703	11.4
213.16478	4.8
215.14319	11.5
219.13913	6.5
223.14937	6.8
225.12903	4.4
225.16234	5.8
227.14302	11.4
231.13885	4.1
233.15463	6.2
235.14908	4.7
237.16370	8.4
239.18007	14.2
241.15791	8.1
245.15308	6.1
251.17833	4.9
255.17386	3.9
267.17389	11.4
279.21143	3.8
283.16977	11.6
285.18497	22.1
303.19711	15.8
307.20749	7.8
321.22101	4.3
325.21500	4.6
327.22992	4.0
329.24979	4.4
337.27206	5.0
339.23181	9.0
357.23965	5.1
375.24695	6.1
405.31281	14.2
423.32520	26.4
441.33585	15.6
447.23645	10.7
465.24872	22.6
477.27924	4.1
487.26825	4.7
493.27707	4.7
501.28214	12.2
503.29364	4.4
519.29388	15.7
567.36407	4.3
585.37585	37.8
603.24493	4.3
603.38922	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92814	0.5
53.03939	0.9
55.05512	19.6
57.03435	1.4
57.07074	3.3
61.02923	1.4
69.03429	4.5
69.07071	15.3
69.54259	2.4
69.54681	1.8
71.04995	0.7
71.08628	2.9
73.02908	1.3
79.05493	1.8
81.03413	2.0
81.07061	3.4
82.72033	0.5
83.08620	23.5
85.02901	7.7
85.10181	0.6
87.04458	0.8
87.34930	0.5
91.05482	3.9
93.07046	4.9
95.04955	1.0
95.08607	3.7
97.02878	2.8
97.06526	0.6
97.10163	2.7
98.20764	1.2
99.04459	0.5
105.07037	4.6
107.08599	8.0
109.02885	1.2
109.06544	0.9
109.10154	3.1
111.08047	0.6
111.29576	0.4
117.07055	1.0
119.04929	1.6
119.08585	2.5
121.06512	2.7
121.10143	2.7
123.08055	1.0
123.11733	0.6
127.03929	2.1
129.06970	0.9
130.07767	0.6
131.08604	2.6
133.06531	0.6
133.10144	1.4
135.08076	2.1
135.11734	1.8
137.13251	0.6
141.07014	0.8
143.08560	2.5
144.09306	0.5
145.04965	0.9
145.06491	1.3
145.10129	5.4
147.08073	1.1
147.11702	1.2
155.08612	0.7
157.10181	2.2
159.08109	2.8
159.11725	1.7
161.09644	1.7
163.11148	0.9
163.14940	0.5
164.74207	0.5
169.10210	0.9
171.08034	0.9
171.11740	1.4
171.74234	0.5
173.09619	11.3
173.13272	1.0
175.11200	1.2
177.16251	0.6
181.10130	0.8
183.11725	1.7
185.09694	1.0
185.13287	1.8
187.11217	1.4
189.09177	1.3
189.12685	0.8
190.85393	0.5
191.10701	1.7
191.17964	0.8
195.11739	1.3
197.13370	1.0
199.11223	1.1
199.14928	1.1
201.12759	4.0
207.10115	0.6
209.13301	1.1
211.11269	1.0
211.14891	1.0
213.12721	2.4
215.14349	1.6
219.13785	1.2
221.13266	0.6
223.14981	0.7
225.16373	0.9
227.14348	1.5
229.15936	1.6
233.15436	0.7
237.16277	0.7
239.17847	0.6
241.16083	0.6
246.07478	0.6
247.14497	0.6
247.16942	0.6
249.16449	0.6
265.16071	1.2
267.17465	3.8
283.16953	2.4
285.18515	7.0
301.18063	1.7
303.19589	0.9
313.21814	0.7
391.15552	0.7
393.19196	1.4
405.31638	1.4
406.41800	0.5
423.32361	3.0
438.67087	0.6
441.33536	4.1
447.23901	2.0
463.23148	4.7
465.24765	5.1
501.28647	0.7
585.37732	3.2
603.38928	100.0
604.39093	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98296	0.2
56.60731	0.2
65.51907	0.2
69.03415	0.5
70.06590	2.9
71.59816	0.3
72.08137	0.6
77.65383	0.2
79.05462	0.3
81.03398	0.5
84.04489	0.3
84.08122	0.4
85.02882	0.8
86.06042	0.6
86.09696	0.7
87.00870	0.2
87.05581	0.2
87.06705	2.1
95.04946	0.5
97.02906	0.4
101.07122	0.2
107.04950	11.7
109.02901	0.3
114.05530	0.4
127.03917	0.4
129.10188	0.3
141.04063	0.5
143.05634	100.0
147.04356	0.3
155.05649	0.4
166.07581	0.2
177.05376	0.3
183.07990	0.2
183.14928	0.3
231.13365	0.4
249.09801	4.0
268.27914	0.2
305.10941	1.6
315.12811	0.2
330.04034	0.4
373.09897	0.3
391.10928	31.0
393.18710	0.2
397.08237	0.3
411.15076	0.6
441.27353	0.2
442.95078	0.2
497.15128	7.5
502.67227	0.2
535.55750	0.2
603.19739	0.3
621.80170	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	1.0
56.96564	21.3
60.04524	1.7
62.13236	0.8
69.61054	6.7
70.06587	6.6
72.08159	1.3
74.97590	7.2
79.05527	1.4
84.08174	1.2
84.96033	2.5
86.09685	2.5
86.97593	1.8
91.05524	1.1
92.98650	1.2
95.04975	2.5
96.91354	1.0
98.97582	20.9
107.04951	100.0
108.05272	2.0
110.97596	2.7
112.99122	1.4
114.97090	3.6
116.98616	19.2
120.08037	1.5
128.98595	8.5
131.00154	1.5
132.98087	12.5
134.99644	7.2
136.07567	2.1
140.98674	1.8
143.00139	2.8
146.99654	6.6
147.03314	2.4
147.04407	1.2
149.01237	1.4
150.99136	51.3
152.98607	2.2
158.99677	6.1
161.01195	7.7
162.99182	1.6
163.00690	1.3
165.00674	1.3
169.00203	26.8
170.99693	5.6
174.00743	1.9
174.99194	2.4
177.00716	10.9
177.04320	1.8
179.02158	1.0
181.01758	6.6
187.63490	0.9
189.00650	7.6
190.98662	3.7
192.01717	1.1
193.00197	20.2
193.01849	1.6
195.05362	1.2
201.00670	4.3
205.00119	1.0
205.03894	2.7
207.01683	1.0
208.99683	28.9
209.01588	2.0
211.01263	5.0
211.41463	0.9
212.02292	1.0
217.00275	3.9
219.01759	31.4
223.02989	1.6
227.00677	6.7
229.00172	1.7
232.01219	1.4
233.03343	1.1
235.01193	2.8
237.02803	52.0
239.02264	4.7
242.03456	1.3
247.01163	1.1
255.03772	5.4
257.03406	1.8
259.01407	1.0
260.04535	1.3
263.04480	7.7
265.57373	1.0
277.02252	20.8
281.05612	6.2
287.01596	0.9
293.01868	1.3
295.03351	50.8
299.04672	1.0
305.05533	2.0
313.04428	1.5
318.05002	2.7
325.05957	2.2
337.05905	1.0
349.07602	3.7
353.03833	2.4
367.08972	1.0
383.06473	94.3
401.07602	2.8
417.69104	1.1
425.09711	5.5
455.12253	19.4
459.07800	1.7
531.13837	2.7
603.08289	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
65.85180	1.0
70.06581	1.3
71.35550	1.6
76.50204	1.1
88.33565	1.3
95.87154	1.1
105.45303	1.1
107.04934	8.2
110.53591	1.0
144.66393	1.1
248.89648	2.3
335.07361	17.3
371.00848	1.4
380.38571	1.1
497.12698	4.0
603.16809	100.0
604.16895	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06595	1.1
70.69975	1.8
72.08154	1.1
74.21645	0.6
81.44386	0.7
98.97583	5.4
107.04951	13.5
108.05281	0.5
116.98611	2.3
123.04439	1.3
126.05614	0.5
134.99675	1.4
143.05646	2.0
158.99643	1.8
177.00754	2.4
199.95163	0.6
203.05284	1.6
219.01671	0.8
233.03201	0.9
237.02835	1.0
254.91383	0.5
275.04462	0.8
319.09967	3.8
335.07346	23.6
353.07394	2.6
441.10870	0.7
497.06467	0.6
497.12573	3.6
603.16852	100.0
604.17206	1.2
610.30444	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.0432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.01856	1.0
55.05505	1.4
55.93531	0.9
56.96558	1.5
57.03444	1.2
61.02923	1.3
67.05504	4.0
67.11764	0.8
69.03422	3.2
69.07076	1.0
70.06577	5.3
71.04980	1.3
72.08147	1.4
73.02932	0.9
79.05489	3.3
81.03416	7.4
81.07048	3.1
83.04971	1.0
83.08610	1.2
84.04483	0.9
84.08147	2.0
85.02893	2.3
86.09706	2.6
89.05986	1.2
91.05473	3.6
93.07040	3.1
94.06536	0.9
95.04977	2.2
95.06088	2.0
95.08583	1.5
97.02879	2.3
97.06498	0.9
97.10154	1.2
105.07007	2.8
107.04957	9.8
107.08560	1.8
109.02866	4.0
109.06490	1.2
109.10149	2.1
111.08089	1.6
117.07037	0.8
119.08615	2.1
120.08092	1.7
121.02850	7.1
121.10124	1.6
127.03896	1.0
131.08594	1.3
132.95871	1.0
133.10147	1.2
145.05058	1.2
145.06277	1.0
146.06000	1.3
158.97363	1.0
165.12802	1.3
176.98375	1.0
183.98164	0.9
215.07263	1.0
234.99014	1.2
269.10645	3.8
271.06110	1.1
279.11307	1.0
280.98828	6.3
287.11642	1.6
295.22479	1.5
298.99991	13.3
299.97311	1.1
300.00809	1.6
301.07071	12.0
301.14532	1.0
305.98111	2.2
314.99567	1.8
317.01138	1.6
328.97427	1.4
329.98016	1.3
330.99078	1.7
333.00525	1.0
341.17490	1.0
342.98996	7.6
343.96143	3.4
343.99557	1.9
354.98828	9.4
355.02646	0.9
357.97733	7.9
358.98285	1.9
360.99988	6.4
361.15213	0.9
370.98373	1.4
371.99365	1.4
373.00031	100.0
374.00424	3.8
375.03986	1.1
381.07611	1.0
384.99765	1.5
385.97287	8.0
386.97937	43.1
387.98184	1.5
388.99396	2.4
390.00360	9.8
391.01059	59.4
392.01160	2.3
393.04364	1.1
396.01559	11.3
411.01709	1.3
411.11237	0.9
414.00235	5.1
415.01038	25.8
426.00317	2.2
427.00983	6.7
429.12006	2.6
432.01376	2.3
433.02097	3.9
439.01212	9.9
448.30667	3.5
449.30939	1.2
451.01047	13.9
453.02435	1.4
456.03470	1.8
457.02023	2.8
463.01138	3.5
469.01959	5.5
479.04559	2.1
481.02158	10.2
487.03146	1.7
493.02264	3.1
499.03174	7.7
511.03186	1.7
517.04297	26.5
523.03180	1.5
559.04999	1.2
602.27795	1.0
603.30261	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	602.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.1
55.05506	4.5
57.07052	1.1
58.99557	1.8
59.04995	0.3
62.99774	0.3
65.00366	0.3
65.03925	0.6
67.05174	0.6
67.05499	8.9
69.03407	0.7
69.07059	2.9
70.02946	0.4
70.06567	0.9
71.04967	0.7
71.08615	0.8
71.40805	0.8
73.01125	0.4
74.00661	2.5
76.02219	2.0
76.03996	0.5
78.08609	0.4
79.05070	0.5
79.05484	5.8
80.05002	1.5
81.03416	1.1
81.05787	0.6
81.06578	0.8
81.07051	16.7
83.04955	1.6
83.06087	1.5
83.08606	2.6
84.04498	4.8
85.01103	0.5
85.02867	0.4
85.06522	0.8
85.10162	1.2
86.00627	1.6
86.99014	0.8
87.02655	0.5
87.04465	0.6
88.02180	0.8
88.88875	0.4
91.05470	4.6
93.07040	8.1
94.06552	1.2
95.04948	1.8
95.08602	12.1
97.01104	0.8
97.06521	1.0
97.10142	0.5
98.09665	0.6
99.01398	1.2
99.05536	0.6
99.08092	0.5
100.02177	2.7
100.11243	0.6
105.07024	4.1
106.06552	0.4
107.04927	2.3
107.08585	4.5
108.08161	0.6
109.06512	1.1
109.10141	3.3
111.02647	1.1
111.08079	2.9
112.02168	1.8
113.09625	1.2
113.40709	0.4
114.03744	5.7
116.01674	3.9
117.06990	0.8
119.08558	3.4
121.06459	0.6
121.10113	2.2
123.08060	1.5
123.11680	1.1
124.11171	1.0
125.04196	0.4
126.03745	1.0
128.28584	0.4
129.06635	1.5
130.04996	1.7
131.08563	1.5
133.10138	2.7
135.08047	1.0
135.11664	1.3
137.04192	0.5
137.09647	0.5
137.12024	0.6
139.03258	0.7
139.05714	0.4
142.03166	0.5
143.02733	0.9
144.01105	1.3
144.08398	0.6
145.06036	0.5
145.10100	0.8
147.11668	3.0
149.09619	1.1
149.13269	1.9
150.12784	0.7
151.11163	0.7
155.08789	0.6
158.09959	0.5
161.13329	1.1
162.02193	1.6
163.11160	0.9
163.14799	0.6
165.12775	2.4
167.08827	0.5
168.08397	0.8
169.04359	0.6
169.09213	2.5
170.09972	63.3
171.08456	0.7
171.10359	0.6
171.11739	0.9
173.13237	2.0
175.14748	0.5
178.15900	0.5
179.04826	1.5
179.14291	0.7
181.06093	0.7
181.10362	0.5
182.09932	0.7
185.03740	2.3
187.05341	0.7
189.03238	1.1
191.14273	1.1
193.06029	0.4
195.55916	0.4
209.15335	2.3
211.10727	0.5
215.04803	2.5
216.05692	2.9
229.14211	0.6
231.04356	3.8
233.05939	1.0
236.16360	0.5
249.22069	0.8
259.20593	0.6
271.11237	0.6
272.11874	14.5
273.12625	2.6
277.21609	8.3
282.15482	0.6
294.24255	1.7
295.22610	3.2
307.21173	0.6
308.09024	1.1
308.20560	0.5
309.18839	1.1
324.23477	1.6
325.22122	0.9
326.21512	1.2
334.22110	2.1
335.20279	2.9
352.23004	13.3
353.21573	1.4
362.21503	0.5
370.24100	7.3
380.22488	0.6
408.69772	0.4
409.25192	1.6
437.24612	0.7
455.25705	100.0
456.25943	1.7
481.27362	0.7
495.26117	0.4
509.26981	0.6
527.27960	5.3
539.28644	0.4
584.29956	1.6
602.31018	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	602.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.1
55.05506	4.5
57.07052	1.1
58.99557	1.8
59.04995	0.3
62.99774	0.3
65.00366	0.3
65.03925	0.6
67.05174	0.6
67.05499	8.9
69.03407	0.7
69.07059	2.9
70.02946	0.4
70.06567	0.9
71.04967	0.7
71.08615	0.8
71.40805	0.8
73.01125	0.4
74.00661	2.5
76.02219	2.0
76.03996	0.5
78.08609	0.4
79.05070	0.5
79.05484	5.8
80.05002	1.5
81.03416	1.1
81.05787	0.6
81.06578	0.8
81.07051	16.7
83.04955	1.6
83.06087	1.5
83.08606	2.6
84.04498	4.8
85.01103	0.5
85.02867	0.4
85.06522	0.8
85.10162	1.2
86.00627	1.6
86.99014	0.8
87.02655	0.5
87.04465	0.6
88.02180	0.8
88.88875	0.4
91.05470	4.6
93.07040	8.1
94.06552	1.2
95.04948	1.8
95.08602	12.1
97.01104	0.8
97.06521	1.0
97.10142	0.5
98.09665	0.6
99.01398	1.2
99.05536	0.6
99.08092	0.5
100.02177	2.7
100.11243	0.6
105.07024	4.1
106.06552	0.4
107.04927	2.3
107.08585	4.5
108.08161	0.6
109.06512	1.1
109.10141	3.3
111.02647	1.1
111.08079	2.9
112.02168	1.8
113.09625	1.2
113.40709	0.4
114.03744	5.7
116.01674	3.9
117.06990	0.8
119.08558	3.4
121.06459	0.6
121.10113	2.2
123.08060	1.5
123.11680	1.1
124.11171	1.0
125.04196	0.4
126.03745	1.0
128.28584	0.4
129.06635	1.5
130.04996	1.7
131.08563	1.5
133.10138	2.7
135.08047	1.0
135.11664	1.3
137.04192	0.5
137.09647	0.5
137.12024	0.6
139.03258	0.7
139.05714	0.4
142.03166	0.5
143.02733	0.9
144.01105	1.3
144.08398	0.6
145.06036	0.5
145.10100	0.8
147.11668	3.0
149.09619	1.1
149.13269	1.9
150.12784	0.7
151.11163	0.7
155.08789	0.6
158.09959	0.5
161.13329	1.1
162.02193	1.6
163.11160	0.9
163.14799	0.6
165.12775	2.4
167.08827	0.5
168.08397	0.8
169.04359	0.6
169.09213	2.5
170.09972	63.3
171.08456	0.7
171.10359	0.6
171.11739	0.9
173.13237	2.0
175.14748	0.5
178.15900	0.5
179.04826	1.5
179.14291	0.7
181.06093	0.7
181.10362	0.5
182.09932	0.7
185.03740	2.3
187.05341	0.7
189.03238	1.1
191.14273	1.1
193.06029	0.4
195.55916	0.4
209.15335	2.3
211.10727	0.5
215.04803	2.5
216.05692	2.9
229.14211	0.6
231.04356	3.8
233.05939	1.0
236.16360	0.5
249.22069	0.8
259.20593	0.6
271.11237	0.6
272.11874	14.5
273.12625	2.6
277.21609	8.3
282.15482	0.6
294.24255	1.7
295.22610	3.2
307.21173	0.6
308.09024	1.1
308.20560	0.5
309.18839	1.1
324.23477	1.6
325.22122	0.9
326.21512	1.2
334.22110	2.1
335.20279	2.9
352.23004	13.3
353.21573	1.4
362.21503	0.5
370.24100	7.3
380.22488	0.6
408.69772	0.4
409.25192	1.6
437.24612	0.7
455.25705	100.0
456.25943	1.7
481.27362	0.7
495.26117	0.4
509.26981	0.6
527.27960	5.3
539.28644	0.4
584.29956	1.6
602.31018	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	602.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
55.01875	1.8
55.05508	9.6
56.05025	3.5
56.96541	1.7
58.99581	9.6
62.63483	1.6
62.66119	1.7
63.27034	1.6
67.05219	1.5
67.05505	16.7
69.07066	13.5
69.26733	18.8
70.06588	11.9
71.08661	2.4
72.08166	3.3
73.81233	1.7
74.00677	9.3
76.02226	16.5
76.03999	2.5
79.05488	21.1
81.07058	25.4
83.04956	2.9
83.06087	4.1
83.08610	4.5
84.04513	12.7
84.08142	6.0
86.09705	8.1
86.99034	3.7
88.02216	2.7
88.70074	2.0
91.05476	12.7
93.06467	3.3
93.07035	38.1
95.04983	2.7
95.08604	17.4
97.06543	2.1
97.10144	2.4
99.05549	2.0
102.05553	1.9
105.07027	17.2
107.04945	3.6
107.08601	26.1
109.10130	5.5
116.01669	21.4
117.06999	4.1
119.08575	9.8
120.08095	3.8
121.06498	2.9
121.10149	13.5
123.11674	1.8
124.28972	1.6
129.06575	2.6
129.10252	3.9
130.04982	5.9
131.08549	7.6
133.06578	1.9
133.10124	6.0
134.24542	1.6
135.11690	18.8
137.09576	2.0
142.03217	6.8
143.08507	2.9
144.01125	10.8
145.06142	2.9
145.10136	4.9
147.11679	9.7
149.05981	2.7
149.13292	9.4
153.09024	1.7
157.06348	1.8
159.11649	4.9
161.13246	4.8
162.02208	38.9
163.14803	3.8
171.11690	3.5
173.13194	5.3
179.04845	16.3
185.13243	3.6
221.15302	2.3
224.16380	1.8
231.04294	2.5
233.05812	2.1
235.16911	2.3
245.05830	2.1
259.20578	8.7
269.37573	2.0
275.20099	2.7
277.21625	100.0
291.17630	3.8
295.22620	3.1
295.88214	1.9
307.17523	3.5
308.09067	3.0
309.18814	6.0
335.20261	3.3
339.12921	1.7
352.23032	7.2
363.58557	1.7
370.24188	17.5
421.68912	1.9
438.23019	2.7
455.25894	15.3
473.27048	12.0
488.77036	1.9
527.27679	12.9
527.79437	1.8
534.56097	2.0
584.29816	2.3
602.31262	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	601.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.4
54.35648	1.5
55.01863	2.4
55.05510	18.7
57.07077	9.3
59.04985	3.6
65.03924	6.8
67.05499	35.1
69.03426	12.1
69.07064	28.0
69.45388	4.9
69.45813	8.5
71.04974	3.3
77.03930	1.5
79.05488	34.6
81.07051	44.8
82.07367	1.8
83.04974	21.0
83.08620	16.4
85.02922	2.0
85.06528	6.0
87.04453	4.3
90.20195	1.5
91.05476	59.7
93.07037	76.9
95.04964	23.1
95.08601	42.2
97.06518	14.7
97.10156	3.7
98.21533	3.0
99.08056	2.1
103.05457	7.0
104.06331	1.7
105.04501	3.1
105.07022	100.0
106.07319	1.9
107.04945	2.5
107.08590	75.4
109.06511	15.5
109.10142	34.0
111.08063	7.0
111.11710	3.5
113.09642	4.2
115.05443	6.6
116.06252	3.5
117.07007	23.5
119.04944	2.4
119.08576	88.0
120.08901	2.0
121.06499	11.3
121.10136	89.5
123.08065	15.6
123.11703	11.6
125.09608	17.8
128.06209	11.1
129.06990	20.2
129.22261	1.5
130.07791	10.7
131.08565	43.7
133.06476	5.6
133.07448	1.7
133.10123	60.4
134.10652	2.0
135.08063	15.3
135.11687	23.0
137.09651	9.8
139.11198	9.3
141.06981	9.2
142.07774	22.3
143.08551	41.8
144.09387	8.7
145.06407	3.4
145.10114	73.6
146.10565	1.7
147.08023	15.3
147.11674	24.2
149.09619	19.9
149.13261	4.4
151.07539	5.7
151.11143	4.2
153.06955	4.1
153.09079	1.6
154.07767	5.2
155.08578	16.3
155.10667	4.5
156.09357	16.1
157.10129	51.1
158.10849	7.1
159.08080	17.7
159.11684	42.4
160.08809	2.9
160.12120	1.7
161.09619	11.9
161.13248	8.8
163.11188	10.6
165.06982	5.7
165.09062	8.1
166.07770	2.5
167.08580	9.8
167.10664	55.7
168.09323	6.7
168.10916	1.6
169.10107	32.4
170.10904	8.4
171.07999	2.7
171.11688	32.0
172.12267	3.4
173.09613	7.6
173.13242	23.9
174.13498	2.2
175.11205	7.4
175.14825	14.8
177.12721	2.1
179.08569	10.7
179.14386	2.4
180.09283	4.6
181.10097	17.5
181.12170	4.9
182.10872	8.7
183.11705	24.4
184.12436	5.5
185.09619	4.1
185.13251	19.6
186.22078	1.7
187.11159	7.1
187.14799	11.8
189.12689	7.5
189.16258	2.6
191.08624	2.0
191.14294	4.8
192.09308	5.3
193.10115	13.4
194.10869	9.5
195.11682	25.3
196.12408	8.8
197.09520	2.9
197.13258	25.6
198.10362	1.7
198.13759	3.5
199.11081	3.0
199.14809	13.3
201.12703	6.1
201.16312	2.9
203.14331	6.8
205.10153	4.3
205.15881	3.1
206.10840	5.5
207.11650	14.4
207.13600	2.3
208.12367	7.5
209.13249	24.5
209.15170	2.6
210.13936	5.8
211.11182	2.5
211.14793	17.1
212.11958	1.8
213.12770	4.5
213.16313	4.7
215.14290	4.9
217.10121	2.8
217.15877	5.2
218.10896	3.2
219.11690	3.8
219.17422	2.5
220.12448	5.4
221.13200	13.7
221.15367	17.0
222.13983	4.4
223.11171	2.3
223.14743	17.9
225.12802	3.1
225.16344	9.0
227.14194	4.8
229.09943	1.6
229.15958	2.3
231.11710	4.2
231.17467	2.2
232.12383	2.2
233.13202	4.7
233.15341	29.4
234.13885	2.5
234.15974	2.1
235.14828	9.8
236.15532	2.8
237.12810	1.6
237.16330	8.8
239.17883	4.0
241.15897	2.9
244.12498	1.8
245.11296	2.8
245.13406	2.2
246.14047	3.7
247.14804	6.5
247.17076	2.2
248.15581	2.2
249.16428	6.8
251.17949	7.2
253.15913	2.0
253.19411	2.5
255.17323	4.6
256.17880	1.8
257.19055	3.3
258.13931	3.1
259.14816	4.5
259.20529	2.1
260.15643	1.8
261.16345	5.6
262.16916	2.0
263.17902	6.9
265.19440	5.4
267.17456	2.4
269.13135	2.0
269.16428	1.7
269.18839	8.9
271.20731	2.7
273.16238	4.9
273.18811	2.2
275.17911	4.9
277.19440	5.2
281.18927	4.5
283.20563	6.4
285.10773	2.1
285.18549	3.2
287.17603	2.8
287.20340	2.8
288.18567	1.7
289.19482	3.0
291.20929	3.6
293.18939	1.8
295.20535	5.2
297.18686	1.6
297.22000	2.8
299.20035	4.6
301.21786	3.7
303.20926	1.9
307.20544	2.2
331.24277	2.0
335.23712	1.7
347.23746	2.3
349.25333	2.3
361.25418	3.0
365.24704	1.8
367.25848	2.0
375.26974	2.2
377.24667	2.2
379.26074	2.8
471.17480	4.7
472.17902	1.9
547.39587	1.7
565.40204	4.2
583.41705	8.8
601.42377	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	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
69.85649	100.0
72.27972	17.1
81.07064	19.5
91.05433	19.9
94.47338	20.8
200.09091	22.8
221.15408	54.6
263.13876	22.5
369.14508	20.1
520.35077	27.2
585.31592	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	601.21
Annotation	(rel)-1beta,2alpha-di-(2,4-dihydroxy-6-methoxybenzoyl)-3beta,4alpha-di-(4-methoxyphenyl)-cyclobutane
Peak:m/z	Relative Intensity
50.04778	0.6
53.03919	0.9
54.63105	0.7
55.01868	0.9
69.03426	0.8
69.78342	2.2
69.78767	1.8
70.06589	6.3
72.08128	1.3
79.05494	1.5
83.06133	0.7
84.04476	1.1
84.08147	1.3
85.02908	1.7
86.09686	1.4
87.13045	0.6
95.04967	2.2
98.21471	0.8
107.04951	100.0
114.03518	0.6
116.62841	0.6
127.03887	0.7
129.10274	1.3
132.15894	0.6
136.07567	1.1
140.03697	0.6
143.01910	0.6
143.03127	0.8
148.34044	0.7
161.02998	1.5
171.06291	4.2
185.04245	1.5
203.05260	49.7
219.02229	0.7
221.56441	0.7
242.00954	0.8
244.08784	0.6
281.00748	0.6
298.14664	0.6
333.11539	65.1
334.12137	1.1
347.09460	1.6
377.15732	1.7
439.15182	1.1
495.16754	5.7
601.20972	64.8
601.74481	0.8
602.21106	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62984	3.6
55.05515	12.1
57.07073	13.1
67.05492	14.6
67.58067	3.6
69.03426	7.6
69.07047	6.8
73.38303	3.7
79.05495	17.8
81.07042	18.7
83.04983	7.5
83.08627	5.0
85.06517	4.5
91.05457	15.7
93.07041	41.2
95.04977	9.9
95.08601	19.1
97.06493	3.4
105.07028	45.7
107.08627	20.7
109.06503	11.5
109.10133	13.0
117.07008	7.5
119.08597	48.1
121.06525	6.6
121.10145	25.5
123.08054	15.9
128.06140	4.7
129.07005	5.5
131.08545	18.3
133.06540	5.8
133.10118	24.1
134.26643	3.8
135.08058	15.1
135.11694	6.9
137.09592	14.2
142.07799	6.1
143.08508	12.9
145.10138	25.4
146.70949	4.1
147.08043	23.2
147.11617	5.2
151.07507	13.2
155.08548	8.1
156.09367	4.6
157.10150	20.9
159.11684	19.1
161.09654	7.8
161.13278	5.1
162.10117	3.4
163.11179	12.9
165.06970	4.4
165.09123	51.7
168.09315	5.0
169.10117	11.1
171.11693	12.6
173.13280	8.9
176.11522	3.9
179.08568	4.4
181.10182	6.4
181.12181	10.3
183.11621	7.7
185.13243	6.3
187.11205	5.4
187.14961	4.9
189.12737	5.9
191.14191	4.5
195.11833	6.0
196.12421	5.1
197.13229	5.7
203.14297	16.5
204.14571	3.9
207.11887	5.4
207.13823	7.8
209.13075	4.8
211.14769	5.7
212.15187	3.7
221.13383	6.0
221.15337	100.0
222.15714	10.7
223.14774	5.0
239.14259	5.7
241.15793	4.5
247.16846	4.7
261.73407	3.3
264.18552	3.9
287.20169	6.0
301.21866	4.8
328.07922	4.7
367.25931	5.0
393.27808	4.6
441.29556	7.2
491.35327	9.1
509.35928	8.2
521.35822	9.8
583.41302	12.7
585.81720	4.1
601.42334	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16126	0.4
55.05505	1.8
56.05035	3.0
58.06596	1.1
60.04533	1.1
60.08165	13.6
60.08470	0.8
67.05507	1.4
69.07054	0.8
70.06591	21.3
70.59864	0.5
71.06933	1.5
71.07374	5.7
71.58313	0.6
72.08157	4.9
73.67778	0.5
74.06080	1.1
79.05503	1.2
81.03408	0.6
81.07027	0.8
84.04490	3.7
84.08141	8.7
85.08492	0.7
86.09705	50.8
87.05584	1.2
87.10046	0.8
91.05445	1.2
93.07027	1.2
95.05000	0.7
95.08594	0.9
97.93592	0.5
98.06026	0.7
98.20855	0.5
98.98469	4.0
101.07142	0.7
102.05544	1.0
104.10742	68.9
107.04962	3.3
109.31739	0.5
110.07159	3.2
111.07475	0.5
115.08717	0.9
119.59322	0.5
120.08112	5.1
125.00006	25.8
127.08651	0.8
129.10234	5.2
130.05048	0.6
136.06175	1.0
136.07594	1.6
143.01114	0.8
173.12971	0.6
184.07338	100.0
197.12929	0.5
201.12149	0.5
225.12234	0.5
229.12029	0.5
245.11223	0.6
258.11081	1.0
273.84808	0.5
286.14047	0.6
412.20773	1.5
546.28052	1.9
564.29114	2.0
582.30469	7.0
600.31531	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	600.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.4
53.03939	0.9
62.22015	0.2
73.02908	0.2
77.03946	0.5
79.05488	4.7
87.04470	1.0
89.06026	9.2
91.05471	1.1
93.07040	2.5
95.04958	2.2
103.05464	4.3
105.07024	100.0
106.07371	0.7
107.08533	0.2
119.04939	0.3
119.08581	0.5
121.06502	11.0
131.08582	0.9
133.08585	4.0
133.10091	0.3
137.45326	0.2
138.00380	0.2
145.06496	0.2
147.08052	1.1
162.09117	0.2
165.06995	0.3
165.09096	3.5
166.07857	0.3
177.11203	1.4
180.49222	0.2
183.10124	0.7
192.78023	0.2
196.65977	0.2
209.11620	0.5
209.13280	2.4
221.15454	0.2
223.11310	0.2
225.12810	0.5
227.12820	0.3
229.79622	0.2
245.12975	0.2
251.14362	1.5
253.15947	0.2
266.26639	0.2
269.15344	0.6
271.15384	28.1
272.15848	0.7
327.17413	0.5
329.18964	0.4
375.21643	19.4
376.22046	0.6
384.40546	0.2
477.26639	0.3
479.27994	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.01873	1.0
55.05510	4.3
55.11488	0.4
56.05027	1.2
56.96564	0.4
57.03433	0.6
58.99574	1.5
65.03948	0.7
67.05499	9.8
68.05048	0.5
69.03407	0.8
69.07058	3.6
70.04071	1.2
70.06581	1.3
70.95874	0.5
71.04980	1.1
71.60016	0.6
72.08115	0.5
74.00676	2.0
76.02228	2.2
79.05489	8.4
79.34587	0.4
80.05013	1.3
81.03419	1.6
81.05774	0.6
81.07053	20.8
82.06565	0.5
83.04964	0.9
83.06104	2.0
83.08619	2.2
84.04498	5.3
84.08082	0.6
84.41938	0.4
85.01121	1.0
85.02911	1.4
85.06547	0.9
86.00659	1.1
88.02180	0.8
91.05483	6.8
93.07038	6.9
94.06548	1.2
95.04961	2.5
95.08604	8.8
96.08112	0.6
97.01108	1.8
97.02927	0.6
97.06520	1.0
97.10165	0.7
99.01412	3.8
99.02707	0.4
99.05574	1.0
100.02209	6.7
105.07027	7.1
106.06557	0.7
106.77412	0.5
107.04942	3.0
107.08592	5.6
108.08110	1.5
109.06511	4.3
109.10156	3.2
111.02650	1.4
111.08089	0.8
112.02186	7.2
113.02988	0.8
114.03746	7.4
115.05796	0.7
116.01685	1.9
117.07021	1.9
119.08569	5.3
120.08089	0.6
121.06490	1.9
121.10147	2.4
122.09622	0.5
123.08073	1.5
123.11698	1.2
125.04226	1.2
125.07119	0.4
125.09599	0.6
126.03722	2.4
127.02237	0.5
129.06674	1.6
130.04999	2.0
131.08551	3.1
133.06459	0.4
133.10124	2.8
134.09601	0.6
135.08000	1.0
135.11710	1.1
136.03909	0.6
137.04198	0.9
137.09633	1.0
138.03720	2.2
139.03246	1.1
139.05833	0.4
140.01611	0.5
140.05278	6.4
142.03212	0.5
142.06847	0.5
143.02776	0.4
143.08563	0.9
144.01138	0.6
145.06223	0.4
145.10123	3.0
147.08047	0.5
147.11664	3.3
149.09595	1.3
149.13261	2.1
151.05769	0.6
151.11192	1.0
152.05293	1.7
153.06516	0.6
154.06828	1.6
157.10118	0.9
158.34953	0.4
159.11694	1.1
159.97932	0.4
161.09576	0.5
161.13228	1.0
162.02228	0.8
163.11174	1.8
163.14833	0.8
165.12730	0.9
166.06895	0.9
168.08417	13.7
171.11705	0.9
173.09569	0.5
173.13264	1.9
175.11230	0.4
176.03609	0.4
177.12625	0.5
179.04898	1.7
181.06154	1.0
183.11742	0.6
183.98164	0.5
185.03728	2.2
187.05392	0.6
187.14874	0.5
189.12785	0.4
191.14255	0.9
193.06088	0.7
193.12247	0.9
201.12794	0.5
202.04189	1.2
209.15340	2.2
210.15048	0.6
211.38528	0.5
215.04881	0.7
216.05618	2.1
222.14865	0.5
224.16676	0.4
229.19595	0.5
231.04401	2.6
233.05945	1.5
236.14636	1.6
241.06343	0.7
247.11336	0.5
255.07947	2.8
257.19040	0.7
264.14142	6.6
265.15027	0.8
269.09430	2.2
270.10300	6.1
271.11121	1.8
275.20041	6.7
281.14453	2.1
282.15210	29.9
283.15610	0.6
286.01154	0.6
292.22723	0.6
293.21060	1.8
297.07925	0.5
307.17203	0.8
308.09039	1.7
323.16125	0.6
324.19925	0.5
332.20389	0.7
333.18704	2.7
347.13022	0.8
350.21460	8.6
351.20004	2.0
368.22534	11.7
378.20987	1.0
384.17145	13.5
385.17810	2.7
427.06387	0.4
453.24170	100.0
454.24539	1.7
459.53796	0.5
461.24173	0.5
479.26047	0.8
507.25348	0.6
514.08447	0.6
525.26239	6.1
582.28503	1.4
600.29578	4.0
600.37347	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01873	2.0
55.05502	5.2
56.05036	0.6
57.03436	1.4
57.07069	0.6
57.98792	0.8
58.99582	18.9
65.03925	0.9
67.05499	9.9
69.03398	1.2
69.07063	5.9
69.26756	5.5
69.27167	0.7
70.06600	1.1
76.02222	81.4
76.03989	2.4
79.05486	7.9
80.05007	1.0
81.03437	0.6
81.07049	11.6
83.04973	2.3
83.06082	1.4
83.08607	3.2
84.04501	14.0
86.99058	3.8
88.02210	2.1
91.05471	8.6
93.07037	11.4
94.06527	0.8
95.04974	3.0
95.08591	7.8
96.22104	0.5
97.06537	1.7
97.10146	2.9
105.07012	9.4
107.04951	10.5
107.08594	7.0
108.08086	0.8
109.06501	4.6
109.10126	3.4
111.08086	1.1
114.03772	0.8
116.01670	22.3
117.06960	2.8
119.08572	6.5
121.06508	5.6
121.10119	4.0
123.08035	2.2
123.11701	1.0
125.09608	2.1
129.06560	1.3
130.04974	6.9
131.08565	6.2
133.06476	1.6
133.08620	0.6
133.10115	7.1
135.08066	1.8
135.11647	2.9
137.09589	0.8
141.04779	1.0
142.03230	8.1
143.08559	1.7
144.01143	12.4
145.06186	1.6
145.10104	5.5
147.08049	2.3
147.11664	5.7
149.09595	2.2
149.13243	1.0
151.11183	1.6
157.10127	1.2
159.08034	0.9
159.11652	3.3
161.09590	1.6
161.13226	1.4
162.02190	44.8
163.11189	2.3
170.02649	3.8
171.11682	1.3
173.09512	1.0
173.13206	2.1
175.11133	1.3
177.12784	1.0
179.04839	100.0
183.11682	1.4
187.05292	3.0
187.11166	1.0
188.03731	0.8
189.11180	1.2
191.14233	0.9
197.13290	1.3
201.12697	1.4
203.14236	0.7
207.13779	2.8
213.05246	0.7
215.04803	1.8
219.13753	1.3
221.15398	1.1
227.04793	0.8
229.19446	0.8
233.05894	14.2
238.55428	0.7
239.17984	0.8
245.05917	4.7
247.20494	0.9
257.18970	4.0
273.18463	3.2
275.20044	31.9
276.20255	0.7
290.07959	1.1
291.06454	2.8
291.19669	3.0
293.21075	20.7
308.09079	30.8
350.21478	0.8
351.19940	1.0
355.15320	0.9
357.21722	0.8
368.22501	9.6
378.20657	0.6
388.19604	0.9
400.01642	0.6
447.77350	0.6
453.24121	5.0
471.24918	2.3
494.23856	1.7
525.26215	3.7
582.28058	1.6
600.27350	5.1
600.33801	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	600.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.4
53.03942	1.2
54.31713	0.2
55.01868	0.5
55.05500	0.8
57.03437	0.3
61.02913	0.5
65.79350	0.2
67.05494	0.9
69.03418	0.3
70.06583	0.7
71.04950	0.3
71.59956	0.3
72.08152	1.5
73.02905	0.4
77.03926	0.4
79.05492	2.7
80.05005	1.9
81.03407	1.5
81.07040	1.1
83.04971	0.3
85.02895	0.5
86.09753	0.3
91.03976	0.2
91.05467	1.0
93.07014	0.8
94.06559	3.4
95.04961	3.2
95.08594	0.8
97.02872	0.5
97.10157	0.2
105.04502	0.5
105.07033	0.6
106.06538	0.6
107.04947	100.0
108.05276	2.4
108.08173	0.3
109.10140	0.7
110.06075	0.3
117.07014	0.2
118.06527	0.6
119.08564	0.5
120.08066	0.3
121.06499	0.5
121.10108	0.3
122.06039	0.2
125.02309	0.3
127.03875	0.3
132.08089	0.4
134.06041	0.3
134.09671	0.3
135.11661	0.3
136.07545	0.4
146.05983	0.3
148.07578	0.6
149.06007	0.2
157.10068	0.3
173.11943	0.2
176.07034	0.2
176.14360	0.5
179.04842	0.4
180.35504	0.2
186.09195	0.2
192.13858	0.5
193.12181	0.2
195.58200	0.2
198.09056	0.3
204.06529	0.2
204.13823	0.6
210.14880	1.0
218.15501	0.3
219.41853	0.2
222.14865	1.1
224.16350	0.3
230.15265	0.2
234.14896	0.2
236.16573	0.5
238.53682	0.2
240.08737	0.9
248.16510	0.3
252.15848	0.3
258.09683	0.5
258.14859	0.4
260.16498	0.6
264.15915	0.2
264.19577	0.7
265.19962	0.3
275.19952	0.5
276.16022	0.4
277.16611	0.3
281.22119	0.6
282.22437	0.6
288.15958	0.9
306.16956	0.8
316.15503	0.4
324.17853	0.4
334.16428	0.6
352.17572	1.7
355.15375	0.5
370.18558	3.7
386.17975	0.3
387.26422	0.5
388.19632	14.7
388.26895	0.5
400.19623	0.3
471.18582	0.4
492.22299	0.4
493.23212	0.3
493.30371	0.4
494.23871	26.5
494.30640	2.1
526.60175	0.3
600.27802	19.9
600.35370	1.2
601.27264	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.6
53.70635	0.7
54.48822	0.6
55.01869	0.6
55.05500	2.3
57.43902	0.6
59.01159	0.6
61.02909	0.7
61.09844	0.6
66.06402	0.6
67.05492	2.8
69.03414	2.7
69.07044	2.1
69.65894	3.1
69.66301	1.4
70.04070	4.9
70.06580	1.4
73.02928	1.2
79.05473	1.5
81.03410	4.5
81.07043	4.7
83.08610	1.3
84.08133	0.7
85.02888	5.7
86.09690	1.3
87.00815	1.6
91.05480	5.1
93.07051	4.7
95.04946	2.9
95.08584	5.7
97.02866	3.2
97.25140	0.6
98.20827	1.3
99.04416	1.0
102.33810	0.5
103.05465	0.6
105.01848	2.0
105.06998	3.5
107.04935	3.5
107.08607	3.3
108.08119	0.7
109.02875	2.0
109.06453	0.8
109.10156	8.1
119.08562	0.9
121.06495	33.3
121.10126	7.5
122.09589	0.6
123.08035	1.2
123.11689	8.6
127.03900	2.1
128.06175	0.6
129.06989	1.3
131.08565	0.9
133.10126	2.0
134.03566	0.9
135.08023	2.2
135.11690	2.3
136.07571	0.8
143.08519	1.1
145.04932	1.3
145.10094	1.1
147.07933	0.7
149.05965	100.0
151.07536	3.4
155.08582	1.0
156.90953	0.6
159.02853	0.8
159.08022	0.8
161.05969	2.4
161.09645	0.8
163.03894	0.7
163.07533	3.6
167.07040	9.7
171.08002	1.1
172.08884	1.0
172.17017	0.6
173.09557	0.7
175.07545	1.7
175.11218	0.7
177.05455	75.3
178.05750	0.7
179.07047	1.3
187.07527	2.0
187.11118	1.1
189.09093	32.2
191.07011	2.7
195.06512	58.3
201.09084	2.1
203.10648	2.7
205.08505	0.7
207.06439	0.8
207.10170	2.8
209.08044	1.1
215.10541	3.3
219.06477	2.0
221.08083	1.2
229.08560	1.6
229.12154	1.3
233.08038	4.6
235.09645	38.8
243.10152	2.4
247.09566	1.5
256.73575	0.7
257.11667	0.9
261.11105	1.4
265.66071	0.7
271.14075	0.9
271.16919	12.3
285.14822	0.7
286.10553	1.6
299.16397	19.5
317.17441	25.3
337.14587	1.0
352.10550	1.4
355.15341	1.9
480.40750	0.7
600.38330	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11721	2.4
57.51509	2.5
59.75631	2.2
71.58812	2.3
71.59177	2.4
76.73904	2.2
77.71281	2.3
79.05482	3.4
81.03434	2.8
85.02904	5.9
97.02834	3.8
99.91036	2.7
101.17876	2.3
107.04945	100.0
119.09969	2.2
136.06169	6.3
158.34744	2.3
232.99133	3.5
234.98964	6.5
275.18997	2.4
277.00052	6.1
284.21555	2.3
323.02029	6.1
343.07281	2.8
379.03122	7.9
522.61951	2.6
591.91840	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.9
55.05503	15.4
57.07067	16.7
63.76574	3.9
64.29611	4.1
65.03925	4.6
67.05499	32.8
68.82109	4.2
69.03431	7.7
69.07065	26.2
71.59076	6.4
79.05482	20.7
81.07059	33.2
83.04995	7.8
83.08619	9.8
85.06530	6.5
89.06021	10.2
91.05473	41.5
93.07040	44.0
95.04973	29.2
95.08593	41.5
95.12498	4.0
96.57835	4.0
97.06567	8.4
105.07021	58.6
105.18742	3.9
107.08577	37.1
109.06503	10.7
109.10144	25.5
111.08085	4.9
115.07951	4.2
117.07023	10.7
119.08561	56.1
121.06485	10.0
121.10123	39.2
123.08050	26.4
123.11715	7.4
125.06048	6.4
125.09609	6.2
128.06236	8.9
129.06998	13.2
131.08551	26.5
133.06491	7.9
133.10098	45.5
135.08044	9.3
135.11707	14.0
137.09583	8.7
139.11092	5.4
142.07761	9.9
143.08513	22.1
144.09363	5.1
145.10081	43.8
147.08057	17.7
147.11676	11.6
149.09625	10.3
151.07539	27.5
155.08571	7.7
156.09331	11.3
157.10081	33.2
158.10851	6.8
159.08037	10.3
159.11708	25.1
161.09637	11.5
161.13243	12.9
163.11185	10.5
165.09129	24.1
167.08545	9.4
167.10678	14.3
169.10138	17.1
170.10866	4.8
171.11717	27.3
173.09613	7.3
173.13232	21.5
175.11195	6.2
175.14874	8.4
181.10121	12.7
181.12279	15.8
183.11693	18.4
185.09601	5.2
185.13258	13.5
186.27899	4.5
187.11255	8.0
187.14772	10.1
189.12828	11.5
193.10136	7.4
195.11658	16.7
196.12460	7.8
197.13278	19.0
199.14822	6.7
201.12816	6.5
203.14304	12.2
205.15874	5.6
206.10832	4.9
207.11752	7.4
207.13763	11.0
208.12508	4.5
209.09412	4.1
209.13237	17.6
209.15149	3.8
211.14836	11.4
213.12825	9.4
213.16383	6.0
215.14226	6.0
219.11641	4.0
219.17509	4.3
220.54468	4.3
221.13342	7.8
221.15329	77.2
223.14902	8.6
225.12729	7.5
225.16380	6.1
233.15370	7.4
235.14861	10.5
239.17953	4.7
245.13232	5.4
247.14769	6.1
247.17047	8.7
250.17087	4.1
257.19128	6.3
263.17999	7.3
271.20514	10.2
283.20670	7.2
295.20599	4.5
299.20096	6.6
345.21945	4.4
391.26352	6.6
425.30582	7.6
431.29559	6.5
571.41443	6.1
581.40082	28.4
598.91028	9.0
599.41852	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4092
Annotation	4,4'-Dihydroxydiatoxanthin
Peak:m/z	Relative Intensity
50.04409	1.2
52.20448	1.5
53.03939	2.9
55.01860	2.0
55.05502	11.8
56.09944	1.2
57.07070	6.9
57.51280	1.5
59.04995	3.6
59.90289	1.2
62.43851	1.4
65.03937	2.8
67.05499	17.4
69.03429	8.8
69.07063	20.5
69.28748	13.8
70.06590	1.8
71.08607	1.9
77.03912	2.4
79.05489	22.1
81.07052	25.7
83.04969	6.4
83.08615	5.6
85.06535	3.8
87.04463	1.9
89.06007	6.9
91.05476	30.8
93.07036	51.5
95.04971	16.5
95.08599	27.1
97.06544	7.3
98.20771	3.3
99.36113	1.5
103.05473	2.7
105.07024	56.9
107.04959	3.8
107.08581	34.8
109.06519	10.8
109.10147	17.6
111.08038	2.5
111.11713	3.5
115.05484	3.0
117.07011	11.6
119.04935	2.6
119.08570	43.3
121.06532	5.9
121.10132	74.4
121.11008	3.6
123.08067	22.2
123.11681	8.8
125.09623	6.7
128.06226	6.3
129.06995	8.0
130.07791	4.1
131.08568	23.5
133.06479	5.1
133.08606	3.0
133.10110	28.1
133.11069	2.2
135.08026	11.4
135.11670	9.9
137.09633	7.5
137.81062	1.4
139.11163	4.7
141.06999	5.0
142.07765	9.8
143.08548	19.1
144.09363	5.2
145.06502	3.6
145.10112	32.7
147.08026	11.8
147.11679	7.8
149.09621	20.4
149.13293	3.6
151.07542	16.1
151.11189	2.2
153.07059	3.2
153.09120	2.7
155.08548	9.3
155.10622	2.0
156.09341	9.2
157.10124	24.5
158.10916	3.0
159.08063	9.3
159.11670	22.3
160.08783	1.9
161.09584	8.4
161.13251	7.9
163.11180	6.1
163.14880	1.5
165.06975	4.5
165.09122	11.9
167.08492	5.6
167.10667	100.0
168.09334	1.9
169.10155	15.1
169.11469	1.8
169.12161	1.7
170.10915	4.6
171.08066	2.2
171.11665	16.8
173.09671	5.6
173.13254	16.6
175.11177	4.0
175.14795	7.1
177.09154	2.3
177.12659	1.6
179.08577	5.3
180.09290	4.0
181.10161	9.7
181.12265	5.8
182.10913	3.9
183.08147	2.1
183.11635	10.4
184.12512	2.1
185.09647	5.1
185.13300	10.9
187.11191	4.8
187.14792	7.8
189.12694	9.2
191.14334	4.3
192.09378	2.4
193.10164	5.8
194.10924	3.2
195.11708	10.7
196.12469	4.3
197.13243	15.3
199.11180	3.6
199.14801	6.9
201.12807	2.8
201.16399	4.2
203.14308	7.3
205.10133	2.5
205.15894	2.4
206.10901	3.5
207.11713	9.9
207.13847	9.2
208.12445	4.1
209.09702	2.1
209.13295	12.7
209.15369	4.0
211.14861	5.8
213.12891	1.8
213.16426	3.3
215.14360	5.9
217.10086	2.2
217.15886	2.1
219.11745	4.2
219.13745	1.6
219.17476	1.9
220.12404	4.1
221.13280	6.5
221.15297	29.5
222.14038	2.0
223.11250	2.8
223.14815	8.1
225.12730	3.0
225.16455	3.9
227.14388	2.9
229.15919	2.7
230.10820	1.9
231.11723	3.4
233.13257	4.1
233.15343	39.2
235.14871	4.9
237.12848	1.9
237.16487	3.7
239.14403	3.6
239.17918	3.0
241.19461	2.2
243.11665	2.6
244.12436	2.2
245.13205	3.6
246.14041	2.5
247.14798	4.0
247.17000	1.7
249.16466	3.6
251.14320	2.2
251.17836	1.7
253.19495	2.1
255.17404	1.9
258.14258	1.8
259.14713	3.7
260.15442	2.4
261.16422	3.0
263.17987	3.1
265.16003	2.2
265.19608	1.8
271.14594	2.3
272.15698	1.9
273.16238	3.1
275.17941	2.8
279.17508	2.0
281.19119	2.6
283.20657	2.2
285.16031	2.6
285.18826	2.6
285.21939	1.8
286.19241	1.5
287.20300	3.3
289.19516	1.7
291.17426	2.1
295.20612	2.2
297.18588	2.4
299.20309	7.6
311.19962	4.5
323.23541	2.1
349.21414	1.8
349.25235	2.4
354.62399	1.9
364.23895	1.8
365.24698	3.3
373.25491	2.0
377.24719	2.3
379.25995	1.6
391.26459	3.5
393.24319	3.2
417.27621	2.4
563.38831	6.3
571.41534	3.8
581.39923	25.1
599.40863	97.3
620.09436	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12413	0.4
54.10777	0.6
55.01841	0.5
55.05497	1.7
59.05000	1.2
67.05489	4.0
67.33096	0.4
69.03410	0.5
69.07053	1.8
70.66018	0.4
71.04984	1.4
71.60019	0.8
76.69635	0.4
79.05471	2.9
79.71328	0.5
81.03410	3.3
81.07054	4.0
83.04977	0.8
83.08597	1.4
85.02895	1.2
85.06535	0.7
91.05468	3.3
93.07016	2.8
95.04967	1.5
95.08598	1.9
97.02906	0.5
97.06545	0.6
105.06998	2.7
105.33906	0.5
107.04940	1.7
107.08570	1.6
109.06527	1.0
109.10155	2.5
111.08141	0.5
115.30228	0.4
117.01750	0.4
117.07034	0.8
119.08587	2.0
121.06505	0.6
121.10100	2.5
123.08036	0.5
131.08568	1.9
133.10138	2.1
135.08134	0.6
135.11736	0.7
145.10115	1.2
146.38026	0.5
147.11659	1.4
149.09595	1.3
157.10106	1.6
167.10709	0.8
173.11763	0.8
175.11133	0.6
189.77821	0.5
193.12259	0.8
225.15041	0.6
233.11502	0.8
267.16000	0.8
283.06244	0.6
283.15125	14.3
325.05621	0.5
325.76355	0.5
336.98099	0.5
339.17734	7.9
373.23535	2.0
439.00568	0.6
599.33960	100.0
600.34198	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.4
55.01874	1.2
55.05504	8.3
57.06810	2.8
57.07070	26.7
57.30418	1.2
58.06606	1.8
58.07411	2.1
58.69945	1.2
59.04999	3.3
65.03934	1.3
67.05502	13.6
69.03439	5.2
69.07060	20.2
69.65896	10.6
69.66226	1.9
70.06590	16.8
71.04993	2.3
71.06934	1.5
71.08624	9.1
72.08168	5.3
72.08969	2.1
73.02907	1.7
73.06576	3.2
78.51854	1.3
79.05495	14.2
81.03425	1.5
81.07052	21.0
83.04993	3.5
83.08636	4.9
84.08141	6.1
85.02917	1.5
85.06549	3.1
85.10198	4.3
86.09717	6.1
87.04471	6.5
89.06025	46.6
90.06380	6.4
91.05473	21.4
91.06433	2.2
93.07040	46.8
95.04961	10.3
95.08606	20.0
97.06532	4.8
97.10169	1.6
103.05454	3.5
105.07028	42.6
107.04957	2.3
107.07130	2.3
107.08582	20.3
109.06501	7.6
109.10172	10.7
111.08072	3.4
111.11756	3.7
113.06013	1.7
114.09185	4.8
114.17983	1.5
115.05489	3.1
116.06227	1.9
117.07027	5.7
117.09207	1.9
119.04959	2.0
119.08575	34.0
119.09444	1.7
121.06541	6.0
121.10140	63.9
123.08079	13.5
123.11731	5.0
124.05112	1.5
125.06035	2.6
125.09653	3.6
128.06255	3.6
129.06972	7.6
130.07785	3.6
131.08560	16.2
133.06531	2.6
133.08609	11.8
133.10120	17.1
135.08061	7.6
135.11693	6.7
137.09654	5.6
139.11237	5.7
141.07030	4.0
142.07828	6.3
143.08553	18.0
144.09401	4.7
145.10117	27.9
145.11099	2.1
147.08092	9.1
147.11697	6.9
149.09612	16.6
149.10728	1.7
151.07550	11.6
151.11180	1.4
154.07825	2.0
155.08572	6.9
156.09344	10.4
157.10118	19.9
158.10890	2.0
159.08110	5.0
159.11679	11.9
161.09653	4.8
161.13261	3.7
163.11197	7.1
165.07100	3.3
165.09137	14.1
166.07713	1.4
167.08511	4.1
167.10669	100.0
168.09407	2.1
169.10101	12.3
170.10970	2.2
171.08133	1.5
171.11678	16.1
172.12480	1.6
173.09702	3.9
173.13271	6.6
175.11244	3.8
175.14917	3.2
177.09084	1.8
179.08452	2.6
180.09438	2.1
181.10159	6.7
181.12306	4.9
182.10983	3.3
183.11743	9.8
185.09683	2.6
185.13358	6.3
187.11198	2.2
189.12837	5.4
191.14383	3.4
193.10167	5.3
194.11009	2.6
195.11665	9.6
196.12444	2.8
197.09673	2.6
197.13268	12.6
199.11299	1.5
199.14952	4.5
201.12860	1.8
201.16476	2.5
203.14333	7.4
205.15823	1.6
206.10994	3.4
207.11792	4.9
207.13892	5.4
207.89594	1.5
209.09744	1.8
209.13283	11.0
211.11232	3.9
211.14873	4.9
213.12846	1.9
213.16417	2.5
215.14372	4.3
217.16025	2.2
219.13832	3.4
220.12701	2.2
221.13297	5.8
221.15471	24.5
221.17229	1.5
223.14934	5.5
225.12840	2.7
225.16440	3.4
227.14461	1.9
229.15981	1.6
233.13269	2.6
233.15321	30.1
233.17406	2.0
235.14919	4.3
235.17024	2.5
237.16487	2.3
239.14423	2.4
243.11702	2.1
245.13196	1.9
247.14937	3.1
247.17253	2.9
249.13016	1.5
249.16451	1.7
251.18002	3.4
253.03587	1.7
253.15778	1.4
255.17516	1.5
261.16452	1.5
263.14609	1.6
263.17978	2.2
269.18896	1.8
273.18726	2.9
275.17920	1.7
277.19406	1.9
283.20679	2.0
286.19550	2.1
287.20233	3.3
296.33246	1.8
299.20041	7.8
305.19214	1.6
311.20328	5.8
313.51382	1.5
325.36545	2.0
346.29666	2.6
351.23462	1.5
359.23978	1.6
360.31100	2.3
361.25555	2.1
361.31427	2.0
365.24991	4.6
374.33087	3.2
375.33160	2.6
377.24921	2.8
388.34299	1.8
389.34592	2.3
391.26526	3.2
402.36038	2.9
419.29904	2.3
431.29846	1.7
497.12796	1.5
507.34885	2.9
516.46411	1.8
517.46069	1.7
563.38940	2.7
581.39667	11.1
598.91565	4.2
599.41205	64.3
605.51978	1.7
606.52826	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	44.3
61.85016	0.9
64.28410	0.9
67.05508	2.3
69.07050	1.2
71.59199	1.0
71.59596	1.1
71.95263	3.9
72.96022	1.3
74.97614	1.7
81.07048	1.9
83.26157	1.2
84.78239	1.0
89.76880	1.1
91.05470	2.0
93.07030	1.2
95.33675	1.0
97.96850	1.3
110.97598	1.0
113.01852	1.1
116.98572	1.2
121.10179	1.1
123.01159	1.2
128.98592	3.0
133.98874	1.2
146.99620	5.1
147.03287	1.7
147.24040	1.2
155.03798	3.0
157.01704	1.8
157.25098	1.1
159.03308	2.3
161.01160	1.4
165.00642	1.6
166.00891	1.1
169.01793	1.7
169.35458	1.2
171.03317	6.1
173.04881	2.4
181.05368	2.2
183.03349	1.9
184.09860	1.4
185.04820	6.6
187.02747	1.5
189.04359	7.6
191.05888	1.8
197.04788	1.2
197.08470	1.4
199.06494	6.2
203.05908	9.8
205.07584	1.1
207.05327	1.4
208.06319	1.0
209.04936	1.4
211.06477	3.8
213.08003	9.2
217.07449	15.5
221.06889	1.5
223.06439	2.2
223.08440	1.3
225.07997	6.8
227.09531	3.1
229.07494	2.7
231.06882	2.7
231.09067	12.6
237.07944	3.0
239.09631	5.1
241.11142	2.1
243.08983	5.7
245.10614	4.9
249.07996	4.6
251.05756	1.2
251.09607	6.5
253.11133	1.6
255.09048	21.2
257.10446	3.5
259.12228	2.1
263.09525	1.5
267.09045	28.5
269.10608	50.4
273.10126	16.4
278.10635	2.6
279.09094	1.4
281.10666	1.7
285.10092	45.9
287.11649	25.1
287.14743	1.0
290.10641	2.5
291.12689	3.0
292.12201	6.0
303.11243	5.5
307.12164	6.3
308.11697	4.1
309.13739	4.3
310.13113	1.7
313.14392	1.2
325.13342	5.4
330.13812	1.3
331.15863	10.7
332.15369	1.4
333.15607	1.3
349.12485	1.2
349.16837	40.9
367.17917	100.0
368.18347	2.4
372.18475	3.7
385.19003	10.1
390.19467	18.6
408.20135	1.3
430.83871	1.3
501.25177	3.5
564.96820	1.1
599.32471	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	599.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
53.78642	0.5
55.01865	1.3
55.05499	0.8
56.05019	0.9
57.03425	0.7
58.40506	0.4
60.04509	0.5
61.02903	0.8
69.03411	1.1
70.06583	10.1
70.16885	1.7
71.04969	0.6
71.06921	0.7
72.08139	2.2
73.02907	0.5
73.56422	0.6
75.18105	0.5
79.05474	1.5
81.03400	1.7
81.07037	0.5
83.06066	0.6
84.04504	1.6
84.08140	3.1
85.02922	2.9
86.09705	3.2
91.05466	0.8
93.07027	0.8
95.01354	0.6
95.04945	3.0
95.06021	0.5
97.02892	1.2
98.06051	0.5
100.07629	0.5
103.05475	0.6
107.04946	100.0
108.05250	1.2
109.02886	1.2
110.07194	0.7
116.07085	0.7
119.22927	0.6
120.08095	1.0
121.02873	2.4
121.06513	1.3
123.04455	0.6
129.10219	2.0
131.04921	1.1
133.06458	0.8
135.04390	0.8
137.05975	0.8
139.03920	1.1
145.06448	0.6
147.04427	1.8
149.02385	0.7
149.05972	1.1
151.03917	1.6
161.06000	1.3
163.03928	2.0
167.64281	0.5
171.04393	0.9
173.06007	1.7
175.03906	2.5
177.05502	1.4
181.04955	1.7
187.03886	2.2
189.05502	1.9
191.03395	1.3
193.05008	2.5
201.05511	1.6
205.04991	3.9
213.05431	0.8
217.04961	4.6
219.06589	1.5
221.04512	1.3
223.06085	1.6
229.04973	2.4
231.06450	2.6
235.05959	2.9
241.04968	1.3
243.06541	1.5
245.04398	0.7
247.06029	4.2
249.07762	0.6
255.06500	1.0
257.07986	0.6
259.06003	6.5
271.05984	3.3
273.07620	1.3
277.07162	1.9
283.06085	1.8
285.16202	0.7
289.07147	2.3
295.06110	0.6
299.09213	1.6
301.07147	3.8
309.07455	0.6
311.09064	1.1
313.07150	2.0
319.08182	0.8
323.09216	0.8
325.07190	1.8
329.10123	3.1
335.08887	0.7
341.10043	3.6
343.08121	1.6
353.10083	5.9
361.09030	0.9
365.10104	3.5
371.19107	0.9
377.10257	2.2
383.11166	6.3
389.10107	1.3
391.11893	0.7
393.09686	1.0
395.11261	7.2
407.11224	7.1
413.12555	2.5
419.11172	4.5
425.12299	2.7
431.13361	7.7
443.13449	2.2
449.12192	5.2
461.12393	3.2
467.13208	2.5
473.12555	1.2
479.13290	3.6
485.14667	1.7
491.13373	2.0
497.14392	5.5
509.14410	1.7
527.15765	1.7
545.16785	1.2
567.29852	12.3
599.17206	1.1
599.32489	19.3
625.97223	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60618	0.3
53.03939	1.1
55.01862	1.4
56.05005	0.3
56.96543	0.4
57.03429	0.6
61.02902	0.4
61.17569	0.3
67.05502	0.4
69.03402	0.7
69.58477	2.8
70.06586	7.2
72.04504	0.9
72.08129	0.8
72.96461	0.3
79.05487	0.9
79.10179	0.3
81.03400	1.4
83.01299	0.4
84.04502	0.8
84.08143	2.6
85.02903	3.6
86.09703	1.5
91.05473	3.8
93.07027	0.3
95.04967	1.7
95.30584	0.4
97.02859	1.1
97.06521	0.4
98.21458	0.7
98.97579	0.4
102.05526	0.5
103.03967	0.7
107.04948	100.0
108.05254	0.8
109.02895	0.8
110.07128	0.5
118.06538	0.6
119.04935	0.4
120.08089	0.5
121.02869	1.7
121.06484	0.4
123.04478	0.5
124.32875	0.4
127.03941	0.7
127.08619	0.4
129.10248	1.0
130.05086	0.4
131.04915	1.4
135.04373	0.5
139.03894	0.5
141.06937	0.5
145.06474	0.5
147.04364	1.6
149.05966	1.1
151.03903	1.3
157.06497	0.3
159.04457	0.7
161.06030	0.8
163.03850	1.8
167.03354	0.4
169.06509	0.5
171.04457	0.7
171.19878	0.4
173.02312	0.4
173.05989	1.2
175.03897	2.1
177.05463	1.3
181.04930	2.0
185.05960	0.9
187.03923	1.5
189.05470	1.5
191.03392	0.9
193.04950	3.2
197.06004	0.5
199.03949	0.8
199.07582	0.5
201.05441	1.7
203.03432	0.9
203.07074	0.5
205.04961	3.6
213.03253	0.3
213.05479	1.3
215.06926	0.5
217.04930	4.8
219.02907	0.6
219.06480	1.8
221.04420	1.4
223.05960	1.8
223.07950	0.4
225.05542	0.5
227.07024	0.7
229.04846	1.8
230.15366	2.4
231.06458	1.9
233.04333	0.6
235.05930	3.1
237.02725	0.3
239.07021	0.4
241.05011	1.1
243.06520	1.7
245.04546	0.4
245.07899	0.4
247.05942	4.4
247.08047	0.4
251.06898	0.3
253.04927	0.5
255.06538	1.0
257.08163	0.6
259.05991	7.3
267.06583	0.5
271.05991	2.8
273.07562	1.1
277.07050	2.3
279.06470	0.6
283.05972	2.2
285.07635	1.6
287.09076	1.0
289.07007	1.8
297.07523	0.7
299.05820	0.8
299.09259	1.3
300.05753	0.6
301.06995	4.0
309.07016	0.4
311.05881	0.4
311.09134	1.4
313.07080	2.7
313.75919	0.4
317.10071	0.8
319.08145	0.6
323.09222	0.8
325.07117	1.9
327.08264	1.4
327.17413	0.4
329.10187	2.7
335.09058	0.8
339.08582	0.5
341.10199	4.5
343.08191	1.3
345.17899	0.6
348.21674	0.6
353.10199	6.5
355.08038	0.7
361.09229	0.4
365.10184	4.2
367.07898	0.6
369.08463	0.4
377.10013	2.0
383.11282	5.7
389.10117	1.2
393.09677	0.5
393.23959	1.0
395.11182	8.7
401.12070	0.4
407.11295	7.1
413.12378	2.7
419.11203	5.0
419.22083	0.7
425.12469	3.8
431.13437	9.4
437.13974	1.9
437.22754	3.0
443.13339	3.1
449.12305	5.1
461.12610	3.7
467.13251	3.7
473.12210	1.1
479.13312	4.1
485.14600	2.0
491.13260	1.5
497.14279	4.7
509.14273	2.3
527.15649	2.1
545.16364	1.4
599.28412	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88512	0.4
51.72968	0.5
53.03936	1.1
55.01863	1.2
55.05496	0.5
56.05019	1.0
57.03424	0.6
60.04493	0.6
67.05515	0.5
69.03421	1.1
69.76912	0.4
70.06586	10.4
70.93578	1.3
72.08131	1.5
79.05490	1.7
79.15761	0.5
81.03413	1.6
83.90816	0.4
84.04505	1.1
84.08134	3.1
85.02895	3.4
86.09695	1.9
91.05473	1.6
93.03407	0.5
95.01382	0.5
95.04964	2.2
97.02871	1.9
98.06090	0.5
98.20718	0.5
104.05355	1.2
107.04951	100.0
108.05281	0.9
109.02882	1.0
110.07156	0.6
110.66590	0.4
112.08752	0.5
113.48898	0.5
120.08104	0.9
121.02861	1.4
121.06492	0.8
123.04395	0.9
127.03912	0.5
129.10236	1.4
131.04953	1.6
133.06528	0.5
135.04422	0.8
136.07567	0.9
139.03873	0.6
145.06496	0.4
146.02098	0.4
147.04427	0.9
149.06062	1.0
151.03873	1.6
159.04437	0.7
161.05952	0.9
163.03874	2.4
170.23093	0.4
171.04474	1.0
173.05946	1.1
175.03908	2.6
177.05493	1.9
181.04988	1.7
185.05994	0.7
187.03891	1.6
189.05516	1.7
191.03447	1.1
193.04967	2.8
199.03960	0.7
201.05496	1.5
203.07173	0.7
203.10236	0.5
205.04938	4.4
207.06430	0.5
213.05452	0.8
217.04950	4.8
219.02986	0.7
219.06561	1.5
221.04494	1.1
223.06085	1.9
227.06973	0.5
229.04993	2.1
230.15375	0.7
231.06583	1.9
235.05934	3.3
237.05519	0.6
241.04984	1.7
243.06595	1.1
245.04453	0.8
247.05975	4.3
253.04909	0.9
255.06595	1.0
257.08215	0.5
259.06006	6.8
265.05045	0.9
271.06033	2.1
272.06882	0.5
273.07495	1.0
277.07214	1.8
279.06680	1.0
283.06049	1.5
283.15347	0.5
285.07544	1.1
287.05530	0.5
287.09000	1.0
289.07080	1.9
293.08130	0.8
297.07556	1.3
299.05664	0.6
299.09213	0.9
301.06964	3.1
311.09171	1.4
313.06937	2.2
317.10312	1.4
319.08084	0.7
323.09100	0.8
325.07178	2.5
327.08621	0.5
329.10168	3.4
341.10217	3.7
343.08237	1.1
353.10208	5.5
365.10147	4.7
367.08258	0.5
377.10254	1.9
383.11215	6.7
385.09885	0.6
389.10156	0.9
395.11218	8.7
407.11209	8.1
413.12241	2.1
414.91919	0.5
419.11118	5.9
419.15405	0.4
419.21750	0.7
425.12238	4.0
431.13382	8.8
437.12280	0.7
437.22357	0.6
443.13107	2.7
449.12326	5.7
455.74329	1.4
461.12637	3.4
467.13284	3.5
473.12427	1.3
479.13535	2.8
479.42084	0.5
485.14569	2.3
491.13373	2.0
497.14346	4.9
509.14175	1.4
513.25598	0.6
527.15570	0.9
545.16644	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56162	0.6
55.05496	2.6
56.05010	0.6
56.96299	1.0
56.96566	16.5
67.05495	1.2
70.06590	2.9
71.55180	1.1
71.95253	1.3
72.96043	0.8
79.05480	0.8
79.24976	0.6
81.07056	0.8
83.08604	1.1
84.04475	0.6
84.08120	0.9
85.02897	0.7
86.09691	1.2
93.07043	1.2
94.50647	0.5
95.08575	0.7
107.04945	3.3
128.98605	1.2
133.06444	0.6
137.02759	1.0
141.02232	0.9
146.99622	1.7
155.03809	1.3
159.03313	0.8
161.01152	0.7
169.05338	0.7
173.04912	1.0
181.05388	0.7
184.07333	0.8
185.04869	1.5
189.04240	1.3
189.07951	1.1
190.44740	0.7
195.06912	0.9
199.06367	2.0
203.05872	2.0
213.07977	8.9
215.09514	0.8
217.07532	3.8
221.08569	0.8
223.10103	1.2
225.07921	3.2
225.45515	0.6
229.07512	4.0
231.09055	14.0
237.08005	1.6
239.09483	3.2
241.11096	7.3
243.09052	2.8
247.08495	3.5
251.09459	5.5
253.11166	1.4
255.09047	2.5
257.10580	5.0
259.12177	12.0
261.10153	0.7
267.06894	0.8
269.10596	41.3
273.10074	1.6
287.11649	22.9
292.12180	3.9
310.13208	1.2
315.16531	1.0
333.17374	12.2
339.18372	0.9
351.18411	29.9
369.19476	100.0
370.19891	1.4
374.20032	3.3
387.20529	66.7
392.20807	0.9
395.62329	0.6
410.22134	16.7
479.22531	0.7
597.33173	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	598.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.9
52.74487	0.6
53.03934	1.0
70.06577	1.0
71.04979	2.6
71.59565	1.0
73.06497	0.6
74.44475	0.5
77.66517	0.5
79.05499	1.1
84.08115	0.7
85.02903	2.9
95.04967	1.6
97.02875	1.0
99.04451	1.7
107.04945	100.0
108.05282	0.8
117.05469	4.5
123.04416	37.9
135.06506	3.9
145.04956	1.6
285.35040	0.6
297.11853	0.6
609.79803	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3032
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
53.03924	2.5
55.05510	15.0
57.03419	6.6
57.07075	4.1
67.05503	27.2
69.07063	13.7
77.50877	2.0
79.05502	9.9
81.03421	10.8
81.07051	30.5
83.08609	5.2
85.02900	2.4
91.05467	5.3
93.07039	8.9
95.08607	24.3
95.37476	2.5
97.10181	2.7
98.98461	31.1
104.04419	1.8
105.07031	3.7
107.08608	4.6
109.02906	10.6
109.10157	9.3
114.61823	2.0
116.99451	2.7
119.08542	3.9
121.10149	3.9
123.11695	2.8
133.10136	3.0
135.11646	3.1
149.13184	2.1
155.01062	6.7
163.06010	3.5
214.33154	1.9
221.46805	2.0
238.97133	2.3
245.22803	2.5
251.24306	1.9
261.03653	8.5
263.23685	4.0
291.81104	2.0
335.07266	5.4
337.27356	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	14.1
57.03436	5.0
67.05511	32.8
69.07067	16.1
79.05488	6.6
81.03419	16.3
81.07061	25.6
83.08608	4.9
86.93065	3.1
89.06594	3.2
91.05437	3.5
93.07051	6.3
95.08600	21.2
98.98483	29.7
99.88683	3.2
105.07037	4.0
109.02868	8.8
109.10171	10.4
114.78837	3.2
133.10123	3.4
141.28723	2.9
155.00999	4.2
229.68668	4.1
261.03821	8.2
337.27380	100.0
392.37531	3.2
575.90784	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	597.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35381	2.2
52.73464	2.3
55.05518	15.2
57.03432	7.7
63.48536	2.6
67.05502	40.0
69.07063	15.3
71.59994	3.5
71.60429	2.7
79.05484	13.9
81.03403	8.1
81.07058	38.9
83.08617	6.2
91.05479	6.8
93.07027	13.9
95.08603	31.5
97.10160	4.0
98.98457	37.7
102.06474	3.0
104.10764	3.4
105.07022	5.5
107.08577	9.7
109.02869	5.5
109.10165	10.6
119.08627	3.8
121.10154	9.8
123.11718	3.6
131.08569	3.7
132.75208	2.8
133.10109	5.0
135.11699	4.4
137.89841	2.6
146.79332	2.6
155.01015	21.5
161.09624	2.3
161.74573	2.3
167.55728	2.6
245.22575	4.3
261.03787	5.5
263.23709	5.7
317.06302	3.9
337.27338	100.0
435.28235	2.8
527.81067	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	596.3924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05266	1.6
55.05513	22.4
55.89295	1.0
57.07079	14.8
61.04038	1.0
63.19984	1.0
67.05505	10.4
69.07072	7.0
69.91328	6.4
71.08630	10.5
72.41280	1.2
79.05485	11.8
81.07048	11.5
83.04969	2.4
83.08618	11.8
83.51811	1.1
85.10195	5.7
91.05468	1.8
95.08608	10.0
97.10171	15.5
98.98454	1.6
107.08596	6.5
109.10159	4.8
123.11697	2.2
125.09652	7.7
143.10704	2.1
155.01128	1.2
168.13715	1.7
182.24814	1.2
183.19290	1.3
186.14923	3.7
199.13300	6.3
217.14348	1.5
223.39476	1.2
239.23656	2.9
313.27481	6.1
331.87000	1.3
361.87689	1.2
455.37323	100.0
456.37552	2.1
479.99908	1.2
596.32355	6.3
596.59888	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.9
55.01875	1.1
55.05503	3.0
56.05025	1.5
60.04520	1.0
67.05503	1.8
69.07063	1.2
69.85377	3.1
70.06593	18.1
72.08161	5.8
74.06081	1.7
79.05495	3.3
81.03397	0.6
82.06572	1.0
83.04967	0.8
83.08596	1.3
84.04504	4.3
84.07687	1.0
84.08140	10.1
85.08473	0.7
86.06066	1.6
86.09710	7.9
87.05585	1.2
88.03991	0.7
91.05474	2.6
93.07063	0.7
95.04980	5.4
98.09684	0.8
100.07610	1.5
100.11246	6.5
101.07127	0.8
102.05546	1.3
103.05463	1.7
105.07034	7.9
107.04955	100.0
108.05265	0.8
110.07170	2.5
111.04439	2.8
112.07569	1.0
112.08746	0.8
114.05582	0.8
114.75922	0.5
115.05456	0.9
115.08709	1.1
116.07083	0.9
117.07016	1.1
119.04945	1.8
120.08089	3.2
121.02872	9.7
121.06476	2.7
123.04427	8.5
125.00022	0.7
126.05562	0.6
126.09137	0.6
127.08666	0.6
128.07079	2.3
129.06970	0.8
129.10237	4.9
130.05025	0.5
130.08755	0.6
131.04935	2.4
131.08553	2.4
132.05687	0.7
132.06580	1.2
133.06491	29.0
136.07568	2.8
140.07030	1.0
141.06987	0.9
144.05687	1.9
145.06505	8.3
147.08049	2.3
149.05966	0.9
149.13234	0.6
157.06490	3.2
159.08063	12.2
159.09259	1.1
161.09625	6.6
167.08246	0.6
171.08044	1.0
175.07574	0.7
182.15398	5.4
183.14703	0.5
184.07338	2.8
187.07571	0.8
189.09119	0.9
199.07556	4.9
209.16476	2.4
210.14888	7.2
211.27576	0.5
213.09045	0.7
221.08116	0.7
223.11298	0.6
227.17537	1.0
233.09642	0.9
236.08243	1.2
244.20340	1.5
251.10698	1.8
263.10602	0.8
265.12265	1.0
269.11734	2.2
279.10205	1.4
281.11743	3.1
283.13300	3.6
299.12820	7.0
336.22824	0.8
337.21304	1.3
354.23917	1.6
445.15918	0.6
453.34183	0.9
470.36865	1.6
579.42297	1.3
580.40723	4.7
597.26544	0.8
597.43225	4.1
608.93848	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87176	2.2
53.03949	6.2
55.01867	7.5
55.05505	47.2
57.03431	17.5
57.87073	2.2
59.04994	4.0
61.02914	4.5
67.01619	2.4
67.05502	100.0
69.03426	7.2
69.07067	14.9
69.37898	24.8
71.04979	6.2
73.02912	4.6
79.05493	24.8
81.03423	20.4
81.07050	40.5
83.01316	2.9
83.04977	10.4
83.08617	23.5
85.02902	24.4
85.06538	4.6
87.04478	12.2
89.06033	3.6
91.05466	15.9
93.07040	16.7
95.04967	9.3
95.08596	17.9
96.08082	2.5
97.02886	11.2
97.06528	8.8
97.10168	28.8
99.04475	3.1
103.03934	8.9
105.07033	12.9
107.04955	14.9
107.08590	21.6
109.06554	3.1
109.10149	80.4
110.10511	2.6
111.04414	2.8
111.08049	4.7
117.07050	6.7
119.08582	15.4
121.06528	3.6
121.10153	9.0
123.11607	3.1
125.09625	37.6
131.08578	4.4
133.10156	3.8
135.11710	9.2
137.09625	4.5
143.08537	3.3
143.10670	8.5
145.10110	7.9
149.09660	3.4
153.12740	9.8
155.10640	6.1
163.11169	14.9
173.11723	37.6
181.12256	10.4
191.10574	3.7
195.94016	2.6
199.13303	10.6
209.11725	11.7
217.14354	7.9
227.12776	13.2
229.14336	82.3
229.16537	5.3
245.13852	3.5
257.13815	16.9
283.15302	14.0
291.64423	2.6
298.86627	2.8
301.16464	36.3
319.17438	7.4
479.03018	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	596.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87176	2.2
53.03949	6.2
55.01867	7.5
55.05505	47.2
57.03431	17.5
57.87073	2.2
59.04994	4.0
61.02914	4.5
67.01619	2.4
67.05502	100.0
69.03426	7.2
69.07067	14.9
69.37898	24.8
71.04979	6.2
73.02912	4.6
79.05493	24.8
81.03423	20.4
81.07050	40.5
83.01316	2.9
83.04977	10.4
83.08617	23.5
85.02902	24.4
85.06538	4.6
87.04478	12.2
89.06033	3.6
91.05466	15.9
93.07040	16.7
95.04967	9.3
95.08596	17.9
96.08082	2.5
97.02886	11.2
97.06528	8.8
97.10168	28.8
99.04475	3.1
103.03934	8.9
105.07033	12.9
107.04955	14.9
107.08590	21.6
109.06554	3.1
109.10149	80.4
110.10511	2.6
111.04414	2.8
111.08049	4.7
117.07050	6.7
119.08582	15.4
121.06528	3.6
121.10153	9.0
123.11607	3.1
125.09625	37.6
131.08578	4.4
133.10156	3.8
135.11710	9.2
137.09625	4.5
143.08537	3.3
143.10670	8.5
145.10110	7.9
149.09660	3.4
153.12740	9.8
155.10640	6.1
163.11169	14.9
173.11723	37.6
181.12256	10.4
191.10574	3.7
195.94016	2.6
199.13303	10.6
209.11725	11.7
217.14354	7.9
227.12776	13.2
229.14336	82.3
229.16537	5.3
245.13852	3.5
257.13815	16.9
283.15302	14.0
291.64423	2.6
298.86627	2.8
301.16464	36.3
319.17438	7.4
479.03018	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	596.309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32505	3.1
55.01863	4.6
55.05522	18.3
56.54224	3.3
57.03423	6.6
57.07068	10.5
61.02915	3.5
67.05500	80.3
68.87304	2.9
69.07067	30.3
69.27609	33.3
73.02906	3.7
75.00012	4.4
79.05489	51.8
79.22392	3.0
81.03413	6.3
81.06573	4.8
81.07053	85.1
83.08603	11.0
85.06573	3.9
87.04488	5.7
89.06063	5.8
91.05479	30.9
93.07030	68.2
95.04962	7.8
95.08040	5.6
95.08602	67.5
97.02899	3.3
97.06533	5.4
97.10184	7.0
98.20755	5.2
103.00671	3.7
105.07027	32.8
107.04936	5.8
107.08597	39.4
109.02886	6.3
109.10160	32.6
110.03665	4.2
111.08038	4.2
113.21908	3.3
117.07001	7.9
119.08588	22.1
119.72583	3.1
121.06502	4.4
121.10126	42.7
122.89056	3.0
122.89968	3.2
123.08112	4.0
123.11676	17.0
131.08583	24.4
133.10109	20.8
135.11681	30.7
137.09630	3.8
137.13251	5.6
143.08499	4.8
145.10078	16.2
147.11710	13.4
149.13239	22.1
159.11703	17.3
159.20908	3.2
161.13300	11.8
163.14778	24.3
173.13268	18.0
175.14807	5.5
177.16385	5.5
179.14294	4.0
187.14832	9.8
188.15204	3.4
195.13905	3.8
243.21063	36.0
253.08293	6.8
261.22150	100.0
335.25693	14.1
353.26865	40.2
409.52060	3.5
561.27545	4.5
564.21887	9.5
595.45258	4.2
596.26294	11.3
596.36328	7.4
596.46173	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	596.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	8.7
55.05496	14.8
60.23607	8.2
64.77517	6.4
67.05504	70.8
69.07074	16.2
71.59962	7.6
71.60349	9.2
79.05486	41.5
81.03425	10.1
81.07043	78.2
83.08640	8.3
91.05466	17.3
93.07026	38.7
95.08568	51.7
104.10737	13.6
105.07020	18.1
107.08578	29.3
109.10175	45.3
117.07010	9.4
119.08570	15.1
121.10168	36.6
123.11676	16.5
131.08519	14.1
133.10088	17.1
134.74266	8.1
135.11690	29.1
145.10115	16.2
149.13240	22.7
159.11685	10.7
161.13197	10.8
163.14825	11.0
173.13300	9.6
185.12267	7.6
187.14697	11.7
243.21075	38.6
261.22119	100.0
335.25781	22.6
338.37137	7.9
345.67252	7.6
353.26859	23.2
357.42661	7.5
364.05530	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	596.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00261	1.8
53.03946	3.2
54.26018	1.6
55.01867	2.9
55.05510	15.8
57.03429	6.3
57.07066	5.9
57.43855	1.7
57.74409	1.6
65.03925	3.0
65.94444	1.6
67.05499	63.4
69.03413	5.1
69.07062	23.5
69.25825	22.1
71.04987	4.4
71.08613	1.7
73.02895	4.0
75.00029	3.0
76.11735	1.8
79.05484	36.9
81.03411	4.5
81.07052	74.0
83.08610	8.0
85.06518	3.3
89.06043	2.9
91.05469	25.5
93.07037	52.7
93.07621	4.2
95.04958	7.3
95.08601	60.3
97.06532	6.0
97.10186	4.3
98.21622	3.3
99.08068	2.6
105.07013	21.9
107.04934	3.8
107.08593	36.0
109.02853	5.1
109.06488	3.7
109.10150	30.3
111.04412	2.3
111.08083	1.8
111.11725	2.2
117.06989	8.8
119.08566	16.3
121.10142	26.8
123.11691	14.9
125.09592	2.5
127.03925	4.8
129.06985	2.6
131.08554	18.3
133.08578	2.2
133.10112	12.2
135.11684	25.8
137.09575	3.5
137.13235	8.1
139.11151	2.3
143.08522	2.8
145.10106	17.5
147.11702	13.7
149.13257	22.8
153.12660	2.5
159.11678	10.9
161.13254	12.9
163.14816	13.9
165.12737	2.8
171.11632	2.9
173.13280	15.7
175.14844	5.2
177.16399	5.3
179.14343	2.3
187.14836	9.6
191.00095	3.8
201.16368	2.4
233.22643	2.3
243.21048	30.3
261.22113	100.0
279.23062	5.5
335.25751	25.9
336.18338	2.1
336.32166	1.9
353.26859	29.7
394.98492	2.4
561.27545	11.1
596.26477	12.2
596.36572	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	596.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.4
55.01862	3.0
55.05510	19.1
56.05018	7.9
57.03432	7.1
57.07040	3.3
58.06543	2.8
58.99286	3.0
58.99580	36.3
60.04514	8.0
60.08149	4.0
61.01129	5.2
61.48276	2.3
65.03926	3.7
67.05502	38.1
67.88619	2.9
69.03417	3.4
69.07067	23.8
69.91234	15.3
70.06590	60.0
71.04990	14.9
72.08145	14.3
73.01123	2.9
74.06053	4.6
75.92632	2.5
76.02227	48.6
76.03976	8.1
79.05482	24.3
80.05006	3.9
81.06586	3.8
81.07052	73.8
83.04974	6.6
83.06104	12.8
83.08608	20.0
84.04501	37.3
84.08141	29.3
85.06519	9.3
86.06062	3.0
86.09702	40.0
86.99060	21.5
87.02669	8.7
87.05589	3.1
88.02196	9.2
91.05470	26.6
93.07041	28.5
95.04985	4.1
95.08607	84.7
97.01100	5.0
97.06532	25.1
97.10155	7.3
98.06038	3.0
99.02658	3.6
99.05563	7.6
99.08095	12.5
101.07108	4.0
102.05518	11.2
104.10717	10.9
105.07020	26.3
107.04964	24.4
107.08577	13.3
108.05269	2.9
109.10138	10.2
110.07156	13.6
111.02643	6.5
111.08075	6.4
112.08740	2.8
113.04199	5.7
115.07561	3.0
116.01678	96.4
116.07123	2.7
117.06992	3.7
119.08583	36.3
120.08109	14.6
121.06428	3.5
121.10121	9.6
123.08073	5.5
124.99995	8.4
129.06560	15.1
129.10242	13.6
130.04985	10.5
131.04860	2.9
132.06531	14.0
133.06494	7.0
133.10120	29.2
135.11699	15.1
136.07590	3.7
137.09637	5.3
137.13229	9.5
139.47958	2.4
142.03201	19.4
142.04924	2.9
144.01146	31.9
145.06136	8.5
149.13228	6.5
153.10255	2.8
155.08130	4.9
159.11670	5.3
161.13248	60.1
162.02202	100.0
167.14192	2.6
170.02737	8.5
177.03282	7.3
179.04799	7.6
179.14316	53.0
181.06107	6.6
184.07358	27.4
186.07664	6.8
187.05345	2.6
191.08966	2.7
197.15350	24.3
204.08661	4.9
218.04787	12.2
225.09222	2.8
227.17696	3.1
237.12964	3.8
245.05899	3.5
253.17961	6.9
255.14021	8.1
271.19058	86.4
272.16840	15.5
300.16473	12.7
329.17868	14.0
340.15567	5.1
347.18884	24.6
358.16751	5.7
376.18027	4.8
398.31522	2.5
401.20987	3.7
414.19278	3.5
422.21317	3.3
429.20425	4.8
431.21793	5.5
432.20435	26.3
440.20895	3.7
440.34692	2.8
449.23010	41.4
450.21548	10.0
467.24265	49.6
503.24188	27.5
504.23831	3.3
521.25110	36.5
578.27246	23.3
596.29144	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.4
55.01862	3.0
55.05510	19.1
56.05018	7.9
57.03432	7.1
57.07040	3.3
58.06543	2.8
58.99286	3.0
58.99580	36.3
60.04514	8.0
60.08149	4.0
61.01129	5.2
61.48276	2.3
65.03926	3.7
67.05502	38.1
67.88619	2.9
69.03417	3.4
69.07067	23.8
69.91234	15.3
70.06590	60.0
71.04990	14.9
72.08145	14.3
73.01123	2.9
74.06053	4.6
75.92632	2.5
76.02227	48.6
76.03976	8.1
79.05482	24.3
80.05006	3.9
81.06586	3.8
81.07052	73.8
83.04974	6.6
83.06104	12.8
83.08608	20.0
84.04501	37.3
84.08141	29.3
85.06519	9.3
86.06062	3.0
86.09702	40.0
86.99060	21.5
87.02669	8.7
87.05589	3.1
88.02196	9.2
91.05470	26.6
93.07041	28.5
95.04985	4.1
95.08607	84.7
97.01100	5.0
97.06532	25.1
97.10155	7.3
98.06038	3.0
99.02658	3.6
99.05563	7.6
99.08095	12.5
101.07108	4.0
102.05518	11.2
104.10717	10.9
105.07020	26.3
107.04964	24.4
107.08577	13.3
108.05269	2.9
109.10138	10.2
110.07156	13.6
111.02643	6.5
111.08075	6.4
112.08740	2.8
113.04199	5.7
115.07561	3.0
116.01678	96.4
116.07123	2.7
117.06992	3.7
119.08583	36.3
120.08109	14.6
121.06428	3.5
121.10121	9.6
123.08073	5.5
124.99995	8.4
129.06560	15.1
129.10242	13.6
130.04985	10.5
131.04860	2.9
132.06531	14.0
133.06494	7.0
133.10120	29.2
135.11699	15.1
136.07590	3.7
137.09637	5.3
137.13229	9.5
139.47958	2.4
142.03201	19.4
142.04924	2.9
144.01146	31.9
145.06136	8.5
149.13228	6.5
153.10255	2.8
155.08130	4.9
159.11670	5.3
161.13248	60.1
162.02202	100.0
167.14192	2.6
170.02737	8.5
177.03282	7.3
179.04799	7.6
179.14316	53.0
181.06107	6.6
184.07358	27.4
186.07664	6.8
187.05345	2.6
191.08966	2.7
197.15350	24.3
204.08661	4.9
218.04787	12.2
225.09222	2.8
227.17696	3.1
237.12964	3.8
245.05899	3.5
253.17961	6.9
255.14021	8.1
271.19058	86.4
272.16840	15.5
300.16473	12.7
329.17868	14.0
340.15567	5.1
347.18884	24.6
358.16751	5.7
376.18027	4.8
398.31522	2.5
401.20987	3.7
414.19278	3.5
422.21317	3.3
429.20425	4.8
431.21793	5.5
432.20435	26.3
440.20895	3.7
440.34692	2.8
449.23010	41.4
450.21548	10.0
467.24265	49.6
503.24188	27.5
504.23831	3.3
521.25110	36.5
578.27246	23.3
596.29144	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.381
Annotation	Asterinic acid
Peak:m/z	Relative Intensity
57.07082	0.3
58.04822	0.2
58.62655	0.2
67.05495	0.8
69.07061	0.6
71.21619	0.5
72.08134	0.2
73.02921	0.6
75.04912	0.3
79.05476	1.0
81.07056	0.8
83.01098	1.7
83.72253	0.2
87.04465	0.3
88.07620	0.5
89.06025	1.8
91.05468	0.8
93.07032	0.7
95.04967	0.3
95.08610	0.7
105.07023	5.9
106.07362	0.9
107.08564	0.5
107.98267	0.2
109.10173	0.6
111.04189	2.3
117.07017	0.3
119.08595	0.4
121.10150	0.2
123.08066	0.3
127.03668	2.4
129.06946	0.3
133.08583	0.8
133.10197	0.4
139.07352	0.3
141.05200	0.5
143.08549	0.3
144.03996	0.2
155.06758	2.7
166.08867	0.3
171.06264	2.7
183.09981	0.4
183.11539	0.2
185.07808	0.3
188.06480	0.3
199.09436	1.0
215.08926	0.9
227.12482	0.3
229.10361	0.2
232.09245	0.4
243.11964	1.8
259.11621	0.7
269.30212	0.3
271.15204	0.4
287.14758	0.3
303.14001	0.4
331.17282	1.5
347.16840	0.8
375.20004	0.4
430.93887	0.2
469.24063	0.9
509.27188	2.6
523.28394	0.3
594.49609	0.7
595.38092	100.0
596.38550	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.5
53.03951	0.5
55.01873	0.3
55.05492	0.3
56.05031	0.6
60.04523	0.6
67.05485	0.4
69.60645	0.5
69.61060	1.5
70.06594	8.1
71.06925	0.4
72.08149	2.0
75.23974	0.3
79.05479	1.2
84.04517	1.5
84.08146	2.7
85.02899	1.1
86.09703	2.5
87.05578	0.5
91.05478	0.4
95.04977	2.0
97.02876	0.6
101.92238	0.3
102.05542	0.5
104.10729	0.4
107.04956	100.0
107.57172	0.3
108.05291	0.7
110.07158	2.0
113.06010	2.9
115.08747	0.3
120.08092	0.7
129.10263	1.2
130.04982	0.7
131.07062	0.7
131.08133	0.4
133.06517	0.4
136.07581	1.3
141.10231	0.9
145.04973	0.5
169.09731	0.9
184.07399	0.8
185.09341	0.4
302.53000	0.3
357.21283	0.6
424.25018	0.4
596.33728	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.4
53.79442	1.8
55.01864	3.5
55.05503	8.2
57.03428	13.3
61.02916	3.9
65.03920	2.7
67.05505	16.4
69.03425	8.8
69.07065	8.1
70.04070	5.5
70.06577	8.2
71.04991	73.3
71.42281	3.9
72.08166	2.6
73.02892	3.7
75.04472	5.8
79.05491	16.3
81.03407	6.7
81.07055	30.0
83.04980	8.2
83.08621	4.8
84.08150	3.2
85.02900	100.0
87.04471	3.4
91.03976	2.1
91.05457	15.4
93.07040	24.8
94.06574	2.4
95.04967	6.7
95.08597	17.9
97.02903	8.3
97.06509	2.5
97.10142	3.0
98.25975	1.8
99.04452	3.1
105.07022	23.6
107.04935	14.3
107.08590	24.9
108.08125	2.7
109.02856	3.5
109.06516	2.2
109.10146	14.2
111.04465	4.5
117.07032	5.9
119.08578	23.1
120.08947	1.7
121.02859	5.5
121.06493	3.4
121.10147	14.4
123.08081	2.7
123.11701	4.7
125.09599	3.5
125.61713	2.1
127.03912	4.3
129.05479	24.3
129.06961	4.3
131.08572	7.7
133.10115	13.4
135.11674	7.0
142.07744	4.6
143.08548	6.1
145.04901	2.7
145.10124	13.7
147.06494	5.4
147.11664	19.5
149.13229	3.7
156.09248	2.0
157.10126	13.0
159.11659	17.0
161.13188	9.6
163.11200	2.0
163.14725	1.9
171.11649	9.5
173.13272	9.0
175.14810	5.3
183.11653	3.2
185.13217	5.4
187.14818	7.6
189.16376	3.2
197.13243	2.0
199.14853	4.4
201.16389	8.0
211.14830	2.9
213.16365	12.0
223.14977	2.6
226.24033	2.0
227.17960	5.7
241.19594	2.7
243.10400	2.0
269.22604	17.7
271.24182	3.5
287.05392	3.0
287.12958	5.0
287.23727	8.9
415.28497	2.4
595.34747	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	595.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.3
57.03436	1.4
67.05508	5.9
69.03418	1.3
69.07062	2.0
69.34808	6.6
69.35217	1.6
70.06578	1.3
71.05000	1.2
73.06535	1.0
79.05505	4.1
80.05833	0.8
81.03410	4.8
81.07066	5.9
83.04971	1.5
83.08607	3.0
85.02899	2.7
91.03940	1.0
91.05469	3.9
93.07034	5.4
94.07387	0.8
94.82949	0.8
95.04967	4.1
95.08609	3.2
97.02859	0.9
97.06557	1.4
97.10165	1.2
98.21513	1.7
103.79403	1.0
105.07019	2.6
107.04949	4.5
107.08593	3.4
109.06515	1.4
109.10159	2.5
117.06998	1.0
117.08176	0.9
119.08611	2.0
121.06525	1.6
121.10167	2.6
123.08078	1.3
125.09597	1.0
131.08585	1.9
133.10109	1.3
133.15977	1.0
135.08096	1.0
135.11703	1.5
143.08562	1.6
147.08044	1.1
147.11697	1.6
149.09639	1.2
151.11221	0.9
157.10162	1.1
161.02965	1.2
176.11594	1.0
203.05296	2.5
214.19719	0.8
229.14272	0.9
245.06328	6.3
249.20564	1.0
267.15695	1.1
268.16315	1.1
277.20142	1.1
287.05585	2.9
289.05286	11.2
303.04944	1.1
303.25949	0.8
315.05182	1.0
329.24301	3.9
335.52304	0.9
347.25281	5.0
368.23044	1.4
371.24463	2.0
386.23993	1.9
389.25519	6.3
401.25253	1.1
412.06204	0.9
460.28043	4.8
478.28723	2.6
491.29501	2.0
509.30551	6.0
515.66608	1.0
533.30627	6.1
551.31781	17.7
577.29846	44.2
595.30835	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39720	0.4
51.34240	0.5
54.46085	0.5
55.05495	1.2
57.03436	0.7
58.42318	0.5
58.95418	0.5
62.26170	0.4
66.32386	0.5
67.05497	3.3
67.16213	0.4
69.03414	0.5
69.07064	1.2
70.06602	0.9
71.59949	0.5
74.78688	0.4
79.05487	2.7
80.05801	0.5
81.03403	1.7
81.07047	3.9
83.04974	0.6
83.08606	1.0
84.08126	0.5
85.02895	0.9
85.98309	0.5
91.05478	1.9
93.07059	2.5
95.04965	1.3
95.08610	2.0
101.24736	0.5
105.07036	1.9
107.04938	2.4
107.08595	2.2
109.02724	0.4
109.06481	0.6
109.10143	0.8
112.40886	0.5
115.00352	0.5
117.07047	0.5
119.01927	1.8
119.08609	1.4
121.10134	1.8
124.48318	0.4
125.09629	0.5
127.03953	0.6
131.08551	0.4
131.70859	0.5
133.10129	0.8
135.07942	0.4
135.11707	1.4
137.57445	0.4
143.01897	0.7
145.10132	0.6
147.11691	0.8
149.13289	0.6
159.11682	0.5
161.02956	1.3
203.05342	2.7
205.60616	0.5
227.05360	0.8
243.04645	0.6
245.06311	5.9
267.15948	0.7
271.04257	1.0
277.20151	0.9
289.05286	14.7
329.23877	3.5
331.26102	0.9
347.25214	4.4
353.23434	0.5
371.24454	2.2
383.24536	0.7
389.25345	7.7
394.33286	0.5
401.25638	0.7
431.26465	1.1
460.27695	1.4
478.29370	1.0
491.29648	2.8
509.30576	5.4
533.30768	4.9
551.31897	15.5
552.32458	0.6
577.29803	36.4
595.30792	100.0
596.31195	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24876	1.4
53.03936	2.4
55.01860	1.6
55.05507	10.3
57.03435	9.3
65.03927	1.6
67.05496	37.8
69.03429	2.1
69.07060	9.7
70.86584	2.9
70.86952	2.7
71.04985	1.3
74.68209	1.2
74.81017	1.2
79.05488	20.7
81.03412	13.7
81.07048	33.3
81.07516	2.3
83.04948	1.5
83.08609	3.1
85.02892	2.6
91.05467	11.9
93.07031	22.0
95.04955	3.9
95.08595	27.8
97.06548	2.2
97.10139	1.6
98.98459	31.8
105.07002	9.5
107.08595	12.4
109.02866	11.2
109.10158	13.8
110.57966	1.3
117.07010	2.5
119.08535	7.0
121.10128	9.2
122.99142	1.2
123.08085	1.7
123.11716	4.3
127.03716	1.4
131.08560	4.7
133.10106	5.6
135.11658	7.4
137.09508	1.6
145.10121	3.6
147.11674	3.7
149.13252	2.8
151.11220	1.6
155.01038	5.7
159.11693	3.9
161.13252	2.7
173.02116	1.7
173.13286	3.1
243.21136	2.7
261.03552	7.5
261.22150	5.5
317.24707	3.0
335.07492	2.8
335.25775	100.0
361.40860	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.8
55.01864	4.5
55.05512	13.9
56.05027	6.2
57.03438	23.4
59.53139	2.2
61.02929	64.7
65.03948	3.2
65.32079	2.3
67.05241	2.7
67.05512	28.7
69.03136	2.4
69.03428	27.2
69.07061	16.1
69.19471	2.1
70.06593	53.6
71.04993	10.1
71.59003	2.7
72.08155	12.1
73.02915	25.2
74.06055	3.5
75.04462	2.2
77.91408	2.2
79.05494	23.2
81.03421	19.9
81.07055	51.0
83.04987	5.8
83.08607	9.6
84.04507	11.4
84.08155	20.2
85.02906	77.6
85.06531	5.4
86.09701	22.7
87.04451	4.5
88.03972	3.9
91.03966	41.0
91.05476	22.6
93.07048	18.9
95.04932	7.3
95.08609	47.8
97.02895	70.4
97.06532	11.4
97.10149	3.0
99.04450	13.2
99.08083	5.1
101.02355	8.3
101.07172	2.6
102.05551	4.0
103.03923	6.7
103.05475	7.7
104.10735	2.8
104.35461	2.4
105.07032	53.1
107.04955	82.1
107.08566	7.2
109.02892	14.1
109.10194	6.1
110.07147	10.0
115.03922	6.8
115.05465	5.2
117.07033	7.3
119.04973	3.7
119.08577	20.9
120.08103	12.0
121.02842	4.1
121.06497	10.1
121.10093	7.4
123.08084	4.4
124.99973	2.6
127.03928	29.8
129.05455	8.0
129.07007	4.4
129.10219	10.8
130.04919	3.0
131.04938	11.0
131.08559	5.7
133.06499	100.0
133.10129	14.9
135.08044	3.5
135.11717	5.2
136.07567	5.9
137.09584	4.6
137.13243	3.4
145.04982	15.7
145.06458	7.8
147.06519	3.5
147.08051	2.9
149.05969	5.8
151.07510	3.1
157.06470	7.5
159.06502	6.1
159.08008	5.8
159.09238	3.0
159.11734	4.2
161.13248	41.0
163.05984	3.9
171.06458	3.0
171.07921	2.5
173.06015	2.9
177.12733	4.3
179.14323	39.7
183.06509	10.7
184.07344	10.5
197.15359	9.7
199.07639	2.9
201.07544	6.7
205.57802	2.2
221.15491	2.2
224.04970	2.2
235.07712	3.5
237.09114	2.5
249.09030	3.8
253.17987	22.4
261.09274	5.7
263.16559	2.7
271.19073	65.6
274.44589	2.3
295.11026	3.5
295.19046	5.8
305.17093	2.3
313.20053	4.4
314.71603	2.4
315.09933	2.4
353.11844	5.2
379.13159	2.9
379.21063	6.7
397.22318	5.3
405.15323	3.8
409.14102	4.5
415.23398	14.7
433.24524	3.9
499.19028	4.2
511.18625	3.3
595.21716	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	595.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.4
53.03944	3.1
54.09034	1.1
55.01876	1.7
55.05503	14.7
57.03437	8.1
57.07069	3.1
65.03934	2.7
67.05501	47.1
69.03422	2.0
69.07056	14.1
71.04978	2.7
71.59212	1.6
72.62816	1.1
78.18851	1.2
79.05486	35.3
81.03413	9.9
81.07051	40.5
83.04971	1.9
83.08598	6.5
85.02910	2.4
85.06525	1.4
89.06038	2.3
91.05478	20.1
93.07037	39.4
95.04959	6.4
95.08599	33.2
97.02908	1.1
97.06493	3.3
97.10152	2.2
98.98457	54.5
99.04414	1.8
105.07033	18.2
107.04913	2.1
107.08583	22.3
109.02869	7.3
109.06487	2.6
109.10149	14.9
111.08044	2.9
116.99477	2.4
117.07021	3.6
119.08582	12.7
121.10143	18.9
123.08023	1.9
123.11698	4.5
127.03873	2.3
129.07037	1.4
131.08539	9.2
133.08548	1.8
133.10138	11.1
135.08017	1.6
135.11700	12.4
137.13248	2.0
143.08563	1.9
145.10123	8.1
147.11691	6.9
149.13225	7.6
149.76219	1.3
151.14783	1.8
155.01021	26.4
157.10167	1.4
159.11671	6.6
161.13275	5.1
163.14824	3.5
165.12674	1.6
169.10165	1.8
171.11760	2.1
173.02141	3.7
173.13260	3.2
175.14851	2.4
177.16380	1.9
181.10207	1.6
182.75650	1.2
185.13141	1.4
187.14807	3.4
201.16338	1.9
242.06779	1.2
243.21080	9.3
250.62531	1.2
250.73875	1.2
255.98079	1.3
261.03598	5.9
261.22107	18.9
277.21625	1.6
279.23221	1.7
288.01547	1.3
317.06317	3.9
317.24753	10.3
335.07404	6.0
335.25760	100.0
336.26248	1.3
415.22510	2.2
423.27420	2.1
497.36127	1.4
595.35211	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	595.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88503	3.1
55.05501	7.1
57.03420	9.1
67.05505	38.2
69.07056	12.1
69.81299	18.3
76.61192	2.7
79.05489	21.3
79.48966	2.9
81.03411	4.3
81.07054	40.0
85.85096	2.7
91.05478	10.2
93.07048	28.1
95.08606	26.6
98.21518	3.9
98.98451	25.2
105.07019	13.0
105.55661	2.8
107.04970	18.1
107.08600	13.7
109.10162	15.6
109.15494	2.9
117.07015	4.0
119.08562	8.6
121.10110	10.7
123.11681	4.7
131.08571	8.4
133.10132	7.5
135.11673	8.4
137.75229	2.9
145.10095	4.6
147.11671	6.7
149.13266	6.8
155.01045	6.7
159.11668	5.0
161.13225	6.0
173.13295	6.6
175.14819	3.2
184.07263	3.5
187.14801	3.7
243.21149	14.2
261.03751	4.0
261.22144	11.3
317.24609	3.2
327.02924	3.7
335.07437	4.9
335.25793	100.0
433.40335	3.2
445.75732	3.3
471.17673	4.4
595.44824	5.4
599.74768	3.2
603.90027	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.3
55.05508	9.2
57.03426	7.6
67.05503	35.1
67.39447	2.1
69.07059	8.5
70.11189	5.0
70.11593	4.8
79.05491	16.6
81.03407	14.6
81.07050	27.6
83.08627	2.8
85.02909	2.6
91.05476	8.7
93.07047	18.5
95.08612	24.2
97.61545	1.9
98.98465	29.4
101.95029	2.0
105.07048	5.4
107.08590	9.6
109.02854	10.6
109.10150	12.9
119.08604	5.3
121.10147	6.8
123.11687	4.6
131.08528	4.4
133.10106	3.5
135.11679	5.5
137.13220	3.2
145.10118	5.2
161.13246	3.3
173.02199	2.3
173.13223	2.5
174.59979	2.0
183.05511	2.0
239.30751	2.1
261.03656	11.5
261.22125	6.4
304.26559	2.3
317.24811	2.7
335.07349	4.2
335.25772	100.0
336.26123	3.3
445.93866	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	595.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.7
55.05517	9.6
55.05743	1.6
57.03442	7.2
59.82215	1.7
67.05503	35.5
69.07061	5.7
70.18874	3.6
70.19274	2.8
74.88220	1.4
79.05492	14.4
80.59890	1.6
81.03418	13.5
81.07057	30.3
83.08607	2.9
85.02900	4.2
91.05458	10.2
93.07044	18.7
93.55860	1.3
95.04905	1.4
95.08609	24.0
98.06316	1.3
98.20745	1.9
98.98466	31.3
105.07037	5.1
107.08598	9.7
109.02898	11.5
109.06512	1.6
109.10162	11.7
119.08575	3.9
121.10172	8.1
123.11693	3.4
127.03944	1.8
128.21574	1.7
131.08563	3.1
133.10110	4.8
135.11694	5.1
145.10107	2.4
146.72963	1.3
147.11635	3.4
155.01114	1.9
159.11681	1.8
161.13354	2.7
163.05965	1.6
187.14627	2.0
243.21027	2.0
261.03687	12.3
261.22147	4.4
317.24704	2.2
335.07401	3.0
335.25781	100.0
336.26077	3.5
392.30957	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.4
55.01862	1.4
55.05503	1.4
56.96548	0.8
57.03463	0.7
57.89210	0.6
60.11435	0.7
60.56298	0.6
65.03927	1.6
67.05495	2.0
69.07043	0.7
70.06599	6.1
70.36832	0.7
70.88078	1.5
72.08151	1.3
73.70422	0.7
73.73817	0.7
77.05650	0.6
79.05492	3.8
81.03405	1.5
81.07056	1.0
83.04975	0.7
84.08130	3.2
86.09695	3.9
91.05476	4.6
93.07044	1.2
95.04974	3.7
95.08575	1.5
103.05465	2.9
105.07047	5.2
107.04955	100.0
108.05288	1.3
110.07139	1.0
111.04422	1.1
115.05451	3.0
117.07021	4.7
119.04926	1.0
119.08594	1.3
121.02862	17.4
121.06490	1.8
127.05428	0.8
128.06284	1.2
129.07036	4.4
129.10251	1.4
131.04933	8.4
131.08575	4.8
133.06505	10.2
135.08049	13.1
141.06999	1.9
142.12202	0.8
144.05756	0.9
145.06483	17.4
146.72440	0.7
147.08060	3.5
149.05984	1.6
149.69798	0.7
152.06285	1.5
153.06996	2.3
155.08575	0.9
157.06474	6.1
159.08070	8.5
161.05971	0.7
165.07013	2.3
167.08534	1.5
169.06497	3.1
171.08107	2.9
173.05956	5.1
175.07558	2.6
177.07019	0.9
178.07799	2.2
179.08540	2.6
181.06453	3.4
182.07330	1.5
183.08066	1.7
184.07401	2.1
187.07564	1.1
189.09195	2.0
193.06526	0.8
194.07321	1.9
195.07988	5.0
197.06013	4.2
197.09662	1.6
198.06760	0.8
199.07570	4.9
205.06439	0.9
207.08047	2.6
209.06059	1.1
210.06804	2.1
211.07532	10.9
213.09023	4.1
219.08075	2.0
221.05956	1.2
223.07489	6.4
224.08330	2.2
225.05571	1.1
225.09116	3.7
226.20084	0.8
227.07040	1.2
231.08105	1.9
232.13890	0.7
233.09685	1.1
234.06757	1.0
235.07512	4.4
236.08275	1.7
237.09102	3.7
239.06949	1.1
239.10727	0.8
241.08598	1.2
245.09615	2.0
247.07538	1.1
249.09201	2.5
250.06226	0.8
251.07062	1.2
261.09143	3.3
263.10638	0.9
265.08539	0.9
271.07339	1.2
272.08279	0.9
273.09253	0.9
290.09421	2.1
295.10992	0.9
301.12418	0.9
343.13629	1.2
355.13333	1.1
357.14822	7.4
367.13309	2.2
369.15048	1.3
371.12851	7.3
372.13312	0.8
385.14188	0.7
387.15976	1.4
393.15082	1.0
396.13647	0.8
397.13913	1.0
415.15833	0.9
423.15955	1.2
427.15503	0.8
432.46500	0.8
444.15698	12.7
485.16559	0.7
517.20587	3.9
529.20050	1.3
547.21143	19.5
559.20532	1.1
565.22003	4.8
577.22198	8.3
595.23285	20.8
595.45453	0.8
596.23444	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.01865	6.1
55.05496	1.6
56.05017	2.2
56.92588	1.1
58.52686	1.2
61.01115	1.2
67.05491	2.6
69.30580	1.2
69.30887	12.4
70.06590	11.7
72.08132	4.0
79.05482	8.9
80.69600	1.0
81.07031	1.5
83.08588	1.5
84.04487	1.7
84.08128	5.0
86.09684	7.6
91.05470	11.3
93.07034	3.6
93.94409	1.1
95.04951	4.4
95.08580	1.3
103.05480	9.0
105.04452	1.2
105.07030	46.7
107.04956	62.4
107.08620	1.3
108.05283	1.1
110.07178	1.8
115.05437	5.4
117.06998	7.7
119.04938	9.7
120.08133	3.9
121.02863	4.3
121.06527	7.4
121.07243	1.4
128.06192	5.3
129.07025	9.4
129.10268	2.3
131.04924	19.6
131.08537	5.5
133.06490	100.0
134.06781	1.4
135.08095	1.4
137.06018	1.7
141.06972	4.9
143.08557	3.1
144.05692	2.6
145.06490	20.5
147.04387	2.3
147.08022	6.0
149.05975	12.7
152.06204	1.9
153.07008	3.9
154.07747	1.3
155.08556	3.4
157.06487	20.1
159.08060	11.3
161.05981	1.7
161.09612	3.3
162.47357	1.2
165.07004	4.5
167.08559	3.8
169.06482	15.9
171.07985	13.8
173.05954	4.7
173.09598	1.5
175.07600	2.1
178.07741	2.7
179.08514	3.8
181.06526	5.7
183.08058	4.7
184.07220	2.0
185.09665	3.7
187.07556	3.2
189.07008	1.6
189.09010	2.3
191.08536	2.2
194.07239	1.5
195.08067	5.6
197.05948	4.8
199.07523	11.5
203.08585	1.8
205.06572	1.4
206.07475	1.3
207.08034	3.4
209.09657	1.7
210.06700	2.2
211.07542	12.4
213.09125	4.8
218.07231	1.6
219.08052	4.8
221.09639	2.4
223.07503	7.5
225.09132	4.8
229.10089	1.5
231.08020	3.4
233.09605	2.3
235.07477	10.4
237.09123	5.7
241.08543	3.7
243.08057	1.7
244.08740	1.5
245.09657	1.6
247.07480	5.6
248.08167	2.3
249.09081	8.0
257.09485	1.3
261.09134	6.1
263.10739	2.3
269.09689	1.8
273.09033	2.8
283.11243	1.9
285.09128	1.7
287.10739	1.6
293.09561	1.4
299.10693	1.2
307.11154	2.5
311.10513	1.9
313.12366	1.3
315.10168	2.7
317.11682	3.4
323.10620	1.8
329.11942	2.0
340.10507	1.6
353.11588	4.1
355.13226	1.8
365.11511	1.5
367.13141	3.3
369.14944	1.7
371.12753	5.1
379.13419	2.4
381.14819	2.1
391.13287	1.9
393.14798	2.5
409.14383	2.8
411.15210	1.6
499.18817	4.4
511.19141	6.4
517.20093	5.9
523.19275	2.2
529.20068	14.0
541.20105	7.5
547.21143	12.7
559.21259	11.6
565.22205	1.6
577.22052	5.0
595.22528	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	595.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40237	0.6
53.03936	1.2
54.70496	0.5
55.01865	1.3
55.05519	0.6
69.07069	0.7
70.06590	0.9
70.78146	1.7
72.13012	0.5
77.03915	0.6
79.05485	1.8
81.03412	1.2
81.07043	0.8
91.05467	1.9
93.07076	0.6
95.04972	2.0
103.05438	1.1
105.07020	1.7
107.04952	100.0
108.05293	2.5
115.05463	1.0
117.06992	1.5
121.02869	4.0
121.06502	1.8
123.04411	1.0
129.07034	0.9
131.04959	1.5
131.08594	1.2
133.06487	2.7
141.06989	1.2
143.04932	0.6
144.05705	1.3
145.06471	9.3
145.07513	0.9
147.08012	0.8
149.06018	1.0
157.06470	4.4
159.08044	3.6
169.06503	0.7
172.52435	0.5
175.07553	7.6
181.06456	1.3
187.07568	1.4
190.07806	0.5
191.08623	0.5
197.06073	0.7
199.07533	1.4
202.07845	0.7
205.08534	2.9
207.08084	0.7
209.06155	0.8
210.06795	0.7
211.07561	1.4
219.08044	1.2
221.09683	0.9
231.08089	2.0
233.09653	0.9
235.07576	1.5
237.09140	1.4
245.09488	1.0
247.07614	1.6
249.09138	3.9
251.10696	0.9
260.08307	0.7
261.09100	3.1
262.09979	0.6
263.10757	1.7
269.09750	1.0
273.09241	0.6
285.09180	0.7
287.10745	1.0
299.10565	2.8
301.12326	0.8
311.10654	0.6
313.08774	0.6
315.10522	0.8
317.11932	1.4
318.10107	0.6
329.11795	1.4
335.10822	0.7
337.12180	0.7
338.99908	0.5
341.11768	0.8
343.13498	0.9
353.11743	0.8
353.31195	0.6
355.13376	1.3
367.13632	1.2
367.18002	1.7
381.15027	0.7
385.14429	1.0
385.19177	1.6
393.14880	1.6
405.14813	1.0
411.15775	0.8
423.15961	2.4
435.16034	0.8
453.17145	2.9
475.20258	0.6
547.21094	1.5
559.21552	0.9
565.22125	0.7
577.21918	1.0
595.22754	2.9
615.99225	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1654
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03936	0.3
55.01865	0.3
55.05495	0.2
57.03429	1.9
59.04973	0.2
61.02901	0.6
67.05461	0.2
67.54005	0.2
68.99791	0.4
69.03422	1.3
69.76471	1.0
70.06584	3.5
71.04987	11.1
72.08130	0.3
73.02893	0.5
75.04459	0.6
78.73732	0.2
81.03403	0.8
83.04972	0.6
84.04490	0.2
84.08134	0.9
85.02896	14.9
86.09689	0.7
87.04447	0.4
91.03947	0.2
91.05459	0.2
97.02474	0.1
97.02893	1.3
99.04427	0.3
105.03345	0.2
107.04940	1.2
109.02850	0.6
110.07140	0.3
111.00775	0.5
111.04423	0.5
120.08119	0.3
121.02854	2.3
126.05513	0.2
127.03903	0.6
127.08663	0.4
129.05473	3.3
129.10258	0.9
133.02866	0.4
137.02243	0.4
145.04971	0.7
147.04384	0.3
147.06511	0.7
153.01810	3.4
155.08179	0.3
157.06458	0.4
159.07568	0.3
160.63336	0.2
165.01811	1.4
165.79134	0.1
183.02892	0.7
183.14864	0.2
185.05916	0.4
189.05496	0.2
213.05447	1.1
231.06526	0.6
241.04935	0.7
254.94827	0.2
256.12982	0.2
258.05280	0.8
259.05945	0.4
271.11963	0.3
272.12439	0.2
274.13873	0.3
287.05466	100.0
288.05823	1.3
299.05444	0.3
329.06512	0.6
354.49149	0.1
417.74414	0.1
428.18668	0.3
433.11014	0.2
449.10709	0.5
519.51147	0.2
595.26074	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.4
55.05487	0.4
56.05000	0.5
57.03430	1.7
60.04499	0.4
61.02909	0.8
66.84597	0.3
68.99789	0.8
69.03438	1.3
69.43484	1.5
69.43908	1.1
70.06587	6.3
71.04987	12.7
72.08137	0.6
73.02912	0.6
79.05476	0.3
81.03384	0.6
83.04952	0.8
84.04482	1.0
84.08134	2.4
85.02899	16.1
86.09715	1.5
87.04435	0.8
88.04050	0.3
89.06030	0.5
91.05434	0.3
96.68845	0.3
97.02866	1.2
98.20710	0.4
99.04432	0.3
99.05479	0.3
100.11243	0.3
105.06982	0.3
107.04938	3.8
110.07164	0.5
111.00787	0.7
120.08085	0.3
121.02864	2.0
127.03903	0.9
129.05476	3.4
129.06924	0.3
129.10217	0.9
133.02849	0.4
133.08615	0.4
135.04366	0.4
137.02322	0.5
145.04927	0.8
147.04457	0.6
147.06511	0.9
153.01801	3.1
157.06444	0.4
165.01819	1.0
183.02884	0.6
185.05823	0.3
213.05455	1.1
231.06476	0.6
241.05025	0.6
246.14909	0.4
258.05258	1.0
259.05975	0.5
287.05475	100.0
288.05820	0.8
297.08212	0.3
299.05762	0.3
329.06418	0.5
378.02606	0.3
436.49808	0.3
449.10342	0.5
453.34360	0.4
520.77057	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1654
Annotation	Datiscin
Peak:m/z	Relative Intensity
51.35680	0.4
53.03952	0.5
55.05499	0.9
55.50352	0.4
57.03417	2.1
57.98777	0.5
59.68444	0.5
61.02906	0.5
69.03410	1.2
69.59404	2.3
69.59814	1.1
70.06590	6.0
71.04988	12.2
72.08156	1.0
81.03391	0.8
83.04984	0.7
84.04497	0.8
84.08134	2.1
85.02898	16.4
86.09675	0.8
87.04420	0.5
91.05454	0.7
91.52407	0.5
97.02890	1.5
107.04940	2.4
109.02842	0.7
111.00778	0.7
118.67216	0.5
121.02852	2.3
121.69932	0.5
127.03880	0.5
129.05475	3.8
129.10226	1.2
133.02821	0.6
137.02277	0.6
141.47159	0.5
145.05006	0.8
147.04454	0.6
147.06506	1.3
151.03879	0.6
153.01810	2.6
165.01839	1.1
166.29379	0.6
183.02890	0.6
213.05453	0.5
225.67274	0.5
241.04979	0.9
258.05209	1.3
259.06082	0.6
287.05472	100.0
288.06039	0.4
298.48810	0.4
310.65479	0.5
325.90427	0.5
453.33932	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1655
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03926	0.2
55.05506	0.3
57.03437	2.0
59.04993	0.2
61.02912	0.6
68.99790	0.4
69.03423	1.1
70.06580	0.5
70.15883	0.4
70.16286	0.3
70.70509	0.1
71.01340	0.2
71.04988	10.9
72.08182	0.2
73.02903	0.4
75.04453	0.4
81.03400	0.6
82.02430	0.1
83.04976	0.6
84.08132	0.3
85.02901	15.0
86.06032	0.2
87.04446	0.5
91.03963	0.2
97.02893	1.0
99.04449	0.2
103.53915	0.1
105.03381	0.2
107.04955	0.3
109.02866	0.4
111.00800	0.6
111.04431	0.5
121.02863	1.9
127.03883	0.8
129.05469	3.1
133.02818	0.5
137.02333	0.6
142.80580	0.2
145.04929	0.7
145.06528	0.2
147.04416	0.4
147.06497	1.0
153.01828	2.3
155.02954	0.2
155.52684	0.1
157.06471	0.3
160.27885	0.2
161.06064	0.2
165.01791	1.4
169.06149	0.2
183.02882	0.8
185.06009	0.4
197.05879	0.2
213.05484	1.0
231.06490	0.6
241.04819	0.7
258.05118	0.8
259.06073	0.3
269.04431	0.2
287.05475	100.0
288.05804	1.3
299.05484	0.2
303.76526	0.1
329.06512	0.3
404.53125	0.2
449.10840	0.4
467.05789	0.2
552.56848	0.2
587.07422	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.4933
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05071	0.3
55.05500	1.4
57.07071	7.4
58.06596	2.4
67.05494	1.4
68.05006	0.4
69.07062	1.8
70.04081	0.5
70.06586	18.6
70.86456	0.5
70.86790	0.7
71.04980	0.4
71.08620	2.5
72.08153	2.1
77.27135	0.3
79.05469	1.0
81.03397	0.4
81.07045	1.2
83.08584	0.4
84.08140	2.3
85.10162	1.1
86.09697	3.1
87.04459	0.6
88.07626	11.3
89.06030	4.0
89.61397	0.4
91.05466	1.0
93.07042	1.3
95.08605	0.9
102.09173	7.3
105.07033	2.7
107.04955	0.5
107.08558	0.7
114.09160	2.8
131.08577	0.5
132.10187	3.5
133.08633	0.7
135.70874	0.3
146.11745	2.9
158.97636	1.1
160.97368	0.4
166.23164	0.3
190.14377	0.7
197.07303	0.4
210.10196	0.4
263.98642	0.9
265.98230	1.0
268.29895	2.0
294.31592	2.2
296.33160	1.5
312.32556	28.3
313.32944	0.5
356.35187	15.7
400.37778	5.5
488.43015	2.3
532.45746	3.4
576.48346	5.3
589.81274	0.4
594.49329	100.0
594.91144	4.4
595.41522	0.7
595.49554	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03867	0.3
55.05507	1.7
56.18770	0.2
57.07072	8.4
58.06598	7.7
59.04995	0.3
67.05482	0.7
69.07062	2.2
70.06586	3.1
71.08623	4.0
72.08112	0.3
72.50864	0.3
73.02881	0.9
73.06529	0.5
79.05446	1.3
81.07009	0.5
82.84397	0.3
83.08575	1.2
84.08118	0.4
84.64985	0.3
85.10183	1.7
86.09670	0.6
87.04430	1.1
88.07627	1.9
89.06026	4.3
90.06331	0.6
91.05434	1.2
93.06997	0.7
94.96698	0.2
95.04950	0.5
95.08574	0.5
97.10106	0.5
98.20675	0.7
102.09151	0.7
103.03886	0.6
103.05440	0.7
105.07027	11.1
106.07352	2.1
107.04903	0.3
107.06993	0.3
107.08572	0.3
109.10094	0.5
111.11662	0.3
113.00767	0.2
114.09127	0.9
117.06983	0.3
118.09439	0.3
121.06481	1.5
122.06817	0.7
131.08502	0.7
132.48544	0.3
133.08582	1.7
133.10094	0.3
134.08998	0.4
146.11778	0.3
147.08006	1.1
177.11168	0.6
182.79933	0.3
225.12576	0.4
230.17284	0.3
268.29971	65.7
269.30255	0.6
294.31525	0.4
312.32559	4.1
356.35175	1.5
400.37854	1.0
415.22241	0.3
444.40414	1.2
576.48743	0.4
594.49341	100.0
594.91241	1.2
595.28851	0.3
595.41382	0.4
595.49854	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57095	3.3
55.01869	10.2
55.05507	22.9
57.03425	13.5
65.03934	4.5
65.84971	3.2
67.05502	38.9
69.07066	15.2
70.06589	8.5
70.26269	13.1
71.04993	8.3
75.11143	3.3
79.05478	40.3
81.03418	56.8
81.07047	41.9
83.04982	6.3
83.08618	19.3
85.02905	4.6
91.05467	25.5
92.05836	5.3
93.07028	31.4
95.04972	35.1
95.08604	19.3
97.02882	4.7
97.06521	11.3
97.10155	20.2
105.07035	24.1
107.04244	5.5
107.04924	27.5
107.08582	16.5
109.06524	11.9
109.10143	12.0
110.10502	3.7
111.08071	7.6
117.07035	8.5
119.08587	17.6
121.06514	13.4
121.10123	14.8
122.10470	4.3
123.11717	4.4
125.09635	15.0
129.06970	7.1
131.08600	16.5
133.10110	12.2
135.08044	4.5
135.11714	5.0
137.09659	4.2
145.06528	7.1
145.10130	5.0
147.08064	3.8
147.11662	11.3
149.09703	8.3
157.10156	7.8
158.95630	4.3
163.11133	5.0
175.11215	3.8
189.11261	7.1
193.12289	11.9
219.13641	4.9
229.14317	4.5
233.15364	9.3
246.68329	3.4
255.11348	3.5
267.15881	42.0
275.20050	8.2
296.06277	3.7
300.40884	3.8
367.22546	19.8
385.23648	29.5
403.24716	10.8
418.79965	4.0
441.26102	5.9
459.21088	6.7
459.27393	100.0
477.28464	66.2
491.29825	12.1
509.31342	6.5
548.72455	4.2
576.36609	7.5
594.37268	7.0
595.30670	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	594.385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71656	1.1
53.03941	2.4
55.01883	2.9
55.05515	6.2
56.05032	16.3
57.03434	2.8
57.07078	2.3
58.06628	1.7
60.04528	27.8
60.17065	1.1
61.02917	4.0
61.48819	1.0
67.05512	6.4
68.05022	2.0
69.03427	16.5
69.07066	5.5
69.52666	8.8
70.06598	3.3
71.04994	8.5
72.04516	2.2
73.02910	1.9
74.06081	1.9
79.05489	8.4
80.05071	1.3
81.03411	11.7
81.07047	5.3
82.06575	2.3
83.01327	2.2
83.04977	12.7
83.08646	2.0
84.08141	1.3
85.02911	14.2
86.06042	1.4
87.04469	6.9
90.05569	2.9
94.06554	5.3
95.04977	17.8
95.08641	1.9
96.04484	6.1
96.08130	8.3
97.02911	6.4
97.06533	16.2
98.06037	1.9
99.04453	2.8
101.06000	1.6
106.06519	1.8
107.04951	5.0
107.08578	1.3
109.40515	1.1
112.07582	7.7
113.06052	2.0
114.09181	2.6
124.07597	29.7
124.34926	1.2
125.00089	1.3
125.05997	19.8
126.09145	3.0
127.03858	1.9
130.08630	1.3
142.08658	16.2
143.07066	8.1
160.08353	2.5
160.09697	51.0
167.18759	1.2
178.10750	15.1
219.21298	1.1
266.24854	2.4
272.25931	1.5
318.82208	1.6
366.30127	1.7
377.45947	1.4
378.30026	8.7
396.30933	4.5
414.32144	100.0
415.32565	1.8
432.33224	82.4
433.33704	2.6
594.38458	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10258	0.5
51.86100	0.4
65.91477	0.5
67.05491	0.7
69.36974	5.1
72.84664	0.4
77.01142	0.4
91.05470	0.6
93.07066	0.6
94.26206	0.4
95.08622	0.9
98.21545	1.0
98.22955	0.5
98.98460	3.9
104.10746	1.0
118.06553	1.4
119.07305	1.0
125.00005	13.2
134.09650	14.6
143.01009	0.5
143.99129	0.5
144.08066	7.7
145.08884	3.9
146.01469	0.5
160.11218	94.2
161.11533	1.6
161.99217	0.5
178.12271	6.7
199.13765	0.5
258.08911	100.0
259.09277	1.2
280.21475	0.5
331.90329	0.5
510.04791	0.6
523.24310	0.5
576.34479	1.1
594.35413	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39450	0.9
53.03948	2.1
54.13572	0.8
55.01863	4.1
55.05503	4.6
56.04788	1.4
56.05033	15.6
57.03436	2.4
57.07062	2.3
57.59122	1.0
59.89269	0.9
60.04527	27.3
61.02901	2.3
67.05502	4.5
68.05019	2.6
69.03425	14.5
69.07070	6.3
70.06587	3.1
71.04974	6.7
72.04513	1.8
73.02910	2.1
74.06061	1.3
75.04480	1.3
79.05479	7.6
81.03417	11.6
81.07029	2.6
82.06567	2.3
83.01336	1.2
83.04977	9.7
83.08592	2.1
85.02901	12.3
86.06039	3.4
87.04440	4.0
90.05550	2.2
93.07027	1.2
94.06559	6.4
95.04966	14.7
95.08559	1.6
96.04469	4.6
96.08147	6.7
97.02878	6.1
97.06522	13.0
97.10159	2.0
99.04430	3.5
101.92699	0.9
106.06556	2.9
107.04952	2.5
109.02878	2.3
112.07581	6.1
114.09164	2.3
115.35873	0.9
124.07586	26.9
125.05997	18.2
126.09092	3.0
127.03857	1.3
142.08627	18.2
143.07039	7.7
160.09689	47.2
160.18652	1.1
178.10730	15.1
266.24796	1.5
272.25739	2.8
284.32077	1.1
298.27484	0.9
298.31912	1.1
314.26627	1.8
378.30032	10.4
396.31055	4.5
414.32126	100.0
415.32339	2.2
432.33194	81.4
552.85278	1.0
594.38489	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	594.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
53.60019	0.6
56.05044	0.6
59.04995	0.6
63.54932	0.5
65.98556	0.5
69.03416	1.3
70.06579	3.0
70.62000	0.5
71.59462	0.7
72.08159	0.8
73.02895	0.6
73.06553	1.7
78.17673	0.5
81.03427	0.7
84.08150	1.2
85.02895	2.9
86.09703	1.3
87.04457	5.9
89.06023	100.0
91.05460	0.8
95.04976	0.7
97.02892	0.7
102.20844	0.6
107.04944	9.3
107.07059	3.5
120.08113	1.2
121.02864	0.8
127.03824	0.6
130.08679	0.6
131.07047	2.1
133.08591	61.9
135.10120	0.6
146.06049	1.0
147.04405	1.6
164.07047	0.6
175.09695	1.2
177.11212	25.4
192.06552	1.6
195.12300	0.9
210.07602	1.4
221.13795	5.4
239.15053	1.8
265.16635	0.9
283.17554	3.1
295.06107	1.4
309.18817	0.9
325.06870	1.0
327.20062	2.7
331.11145	0.7
353.21902	0.7
371.22775	3.5
379.07999	0.7
385.32733	0.7
415.25351	39.2
457.10962	1.0
522.91541	0.7
594.32733	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
55.01859	0.5
62.80889	0.4
69.52186	3.6
70.06596	2.6
72.08150	1.0
73.02904	0.4
79.05503	1.0
81.03421	0.8
84.04479	0.9
84.08150	0.6
85.02904	1.7
86.09702	0.6
89.06040	0.5
92.55164	0.4
95.04961	1.6
97.02901	0.7
99.04470	0.5
107.04945	100.0
108.05286	1.5
115.25395	0.4
117.05481	0.9
118.58748	0.4
123.04383	0.5
127.03889	0.4
135.06445	0.5
145.04919	0.5
159.56189	0.4
192.08698	1.0
214.99417	0.4
248.78438	0.4
255.15944	0.4
285.16898	0.6
474.47430	0.5
539.87402	0.4
594.22284	0.4
594.32062	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60848	1.4
53.03947	2.0
55.01878	2.1
55.05514	7.6
56.05032	11.2
57.03429	4.5
57.82284	1.5
58.99584	20.9
60.04521	2.5
67.05170	2.4
67.05505	30.2
68.05026	2.4
69.07076	8.3
69.51610	6.9
69.52035	5.3
70.02944	3.5
70.06593	28.8
71.04970	1.7
71.06901	1.8
72.06168	1.4
72.08149	6.3
74.00657	2.5
74.06087	4.7
76.02228	50.0
76.04000	4.5
78.42168	1.5
79.05498	11.5
80.05016	5.9
81.07047	35.1
82.06557	3.5
83.04983	1.6
83.06110	9.5
83.08617	6.6
84.04504	18.1
84.08149	9.0
85.01129	3.1
85.02895	2.1
86.00644	11.2
86.06077	2.8
86.09700	16.4
86.99077	8.7
87.02718	1.6
87.10061	2.0
88.02222	5.1
88.03992	3.8
91.05473	17.8
93.07042	20.1
94.06570	5.6
95.04963	3.0
95.08611	11.1
97.01109	16.6
97.06514	4.7
97.84394	1.8
98.06080	1.9
98.21448	3.2
99.02676	2.5
100.01267	1.4
102.05528	6.8
104.05303	1.6
104.10756	2.1
104.12054	1.4
105.07045	8.4
106.06546	1.9
107.04954	12.7
107.08591	12.9
109.06530	1.5
109.10167	3.9
110.07164	5.1
111.02656	22.2
111.08061	4.9
112.03934	2.1
114.03747	5.0
114.05515	1.6
116.01683	44.2
117.07014	8.7
119.08585	5.0
120.08105	6.9
121.10175	7.5
123.02688	6.1
123.08096	1.8
124.02118	1.8
125.04191	2.6
129.06546	11.8
129.10239	3.8
130.04994	7.5
131.08575	10.7
133.06046	2.5
133.10129	9.0
135.11710	4.0
136.03946	1.9
136.07565	3.1
137.04182	9.4
137.05986	1.9
142.03270	8.4
143.02731	2.8
144.01155	14.5
145.06183	3.5
147.11705	2.4
149.04173	2.0
149.09680	2.0
149.13258	14.0
151.11174	3.2
153.06558	2.2
159.11690	9.6
161.04218	3.3
162.02206	33.1
165.07347	2.4
170.02774	3.2
173.13200	2.0
177.12726	8.9
179.04857	44.7
183.08417	2.6
184.07353	4.4
186.07637	3.7
187.05341	5.6
189.03256	2.7
191.08917	1.9
194.15437	3.7
195.13768	8.8
205.06447	2.8
206.15430	2.0
207.12039	3.8
209.09961	1.7
215.04974	2.4
217.10504	2.7
218.05020	2.8
218.15472	2.1
223.11490	2.4
224.16507	3.9
225.13132	1.9
226.12566	4.5
230.20967	1.7
233.05907	5.6
235.11444	8.2
236.16550	1.9
245.05925	3.0
252.14192	18.6
261.08929	2.0
269.17468	32.7
270.15079	10.3
298.14877	2.9
308.09149	7.9
326.17920	4.7
327.16666	4.5
344.18585	9.5
355.16904	5.6
362.19843	3.8
364.15634	1.9
372.18173	2.6
373.17764	3.0
380.20581	4.6
381.18811	2.0
386.16418	2.6
399.19568	2.2
427.19168	2.7
429.20502	21.5
430.18884	3.5
447.21582	100.0
465.22824	7.6
501.22681	11.4
502.22437	2.1
519.23737	24.3
558.25031	7.6
576.26184	8.7
594.26788	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	594.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.92737	0.4
56.79486	0.4
60.68453	0.4
65.03927	0.7
66.04711	0.9
69.03423	1.3
69.64082	2.1
69.64494	0.8
70.06582	0.8
71.04984	0.5
72.08154	0.8
74.13667	0.4
79.05501	0.5
80.04996	0.6
81.03416	2.5
84.04498	0.5
85.02908	1.3
90.04680	0.9
91.05470	20.6
93.07027	1.6
95.04978	0.8
97.02880	10.0
98.21483	0.6
99.04433	0.7
103.05460	9.4
105.03385	0.8
105.07008	0.8
107.04948	10.8
109.02879	4.6
110.07184	0.5
117.05765	0.7
118.04148	8.0
118.06509	4.0
119.04906	1.4
119.07321	0.5
120.08099	11.6
121.06462	0.8
127.03928	4.1
129.10272	0.4
131.04921	5.9
135.04381	1.2
146.05994	32.3
147.04396	4.4
148.07561	3.6
151.03938	0.6
164.07053	58.1
175.03867	1.4
188.06975	0.6
188.20357	0.4
192.06537	83.7
193.06941	0.9
210.07594	100.0
211.07838	0.6
252.08765	0.7
272.09244	0.7
290.10046	1.2
308.11188	0.6
318.09680	8.2
318.85641	0.4
336.10739	40.0
354.11798	24.1
460.16013	6.5
594.24652	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	2.7
57.03415	1.3
63.19939	0.7
67.05496	4.0
69.07056	2.5
70.26775	2.5
71.04982	1.9
79.05487	3.7
81.03410	1.2
81.07047	4.2
81.45182	0.6
83.04971	1.2
83.81830	0.7
85.02934	0.7
91.05472	5.1
93.07030	4.6
95.01096	1.3
95.04945	0.7
95.08611	2.7
98.98490	2.1
102.08778	0.7
105.07009	3.9
107.04961	1.5
107.08564	3.4
109.10134	1.5
111.08085	1.0
117.07005	1.7
119.01923	1.9
119.08598	3.2
121.10133	2.2
123.11707	0.8
127.00031	1.2
130.88470	0.8
131.01936	2.0
131.08598	1.2
133.10164	2.6
135.11688	1.4
141.05263	2.3
143.08578	1.1
145.10118	2.4
147.11700	1.0
149.09564	1.0
149.13191	0.7
157.03465	0.7
159.11679	1.0
161.02951	2.0
161.13290	1.1
163.11166	0.8
171.04875	0.7
185.04237	1.1
199.05742	1.0
203.03900	0.8
221.05113	2.6
227.05396	1.5
241.19550	2.2
243.04912	2.2
245.06261	0.9
257.14847	0.7
259.20486	1.2
271.04175	3.3
275.18686	0.6
275.20267	1.1
287.03809	2.7
289.05444	2.2
291.19550	0.8
299.18570	1.7
317.19666	1.1
327.22855	3.3
333.24063	3.7
345.23959	2.2
381.19608	1.4
419.23398	2.1
461.24438	5.4
471.27219	2.1
479.24997	2.0
489.27960	2.8
505.24008	26.8
506.24228	0.9
507.21933	2.3
507.28720	2.9
513.28223	8.6
531.29260	22.6
532.29523	0.9
549.30225	15.7
549.57312	0.8
557.27173	48.1
558.27246	1.4
575.28229	100.0
576.28174	2.6
593.29156	39.0
594.29846	1.4
595.73151	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.6
55.01863	7.8
55.05503	21.2
56.57274	1.8
57.03433	13.1
57.07051	2.3
65.03915	3.3
67.05499	65.6
69.03414	5.3
69.07063	15.4
70.03854	7.8
70.06574	1.9
71.01356	2.0
71.04984	6.2
71.08625	3.1
73.02927	2.4
79.05483	46.5
81.03406	7.0
81.07050	54.6
83.04975	9.9
83.08616	9.5
85.06538	6.4
89.06023	2.8
91.05470	78.2
93.07034	48.0
95.04964	15.4
95.08603	24.1
97.02880	1.9
97.06523	7.2
97.10161	5.7
99.04465	4.4
99.08055	2.4
104.10755	3.0
105.07019	73.7
107.04962	5.6
107.08587	45.2
107.09287	3.3
108.99680	1.8
109.06494	7.9
109.10142	38.9
111.04431	3.3
111.08072	2.5
117.06992	16.5
119.08572	44.1
121.06485	4.2
121.10139	19.0
123.08077	5.8
123.11694	6.4
125.09616	2.3
128.06219	3.3
129.06987	8.2
131.08554	16.6
133.10120	100.0
135.08003	3.6
135.11691	18.8
137.09589	4.5
143.08528	13.5
145.10086	16.7
147.11673	37.8
149.09613	6.2
149.13237	8.1
151.11171	28.4
155.08665	2.0
157.10069	9.9
159.11688	20.0
161.09616	17.0
161.13234	29.0
163.11189	6.2
163.14789	2.6
165.12790	2.4
169.12221	6.6
171.11699	12.8
173.09604	2.7
173.11951	2.1
173.13208	12.8
175.11220	2.1
175.14822	9.8
177.12807	3.6
179.10600	14.8
179.14215	2.0
183.11598	2.6
185.13217	5.4
187.14755	3.0
188.15253	2.1
188.46330	1.8
197.11693	2.0
199.14795	4.7
213.16562	2.4
215.12776	19.9
231.21016	6.7
241.19476	32.7
253.14339	9.6
259.20566	71.3
271.15292	9.1
275.20029	7.6
277.21609	3.6
299.14832	2.7
301.16415	2.9
315.23248	7.5
317.15900	36.9
333.24191	53.6
334.24457	2.2
349.23682	2.8
575.35797	12.3
593.22430	2.7
593.37073	13.9
593.47070	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.52125	0.7
59.61061	0.7
65.01105	0.8
69.39076	0.7
69.75939	2.2
69.76341	3.3
73.32964	0.8
79.89769	0.8
80.86308	0.8
98.21503	0.8
102.58662	0.8
107.74165	0.8
146.36790	0.9
249.01959	0.9
313.27502	1.2
322.82770	0.7
389.17715	1.1
401.17548	1.0
403.19089	3.8
405.20798	2.2
416.20297	1.1
417.21387	4.2
418.21375	2.9
419.22403	3.6
430.17654	1.7
431.18329	9.7
432.18906	1.9
433.24112	7.7
434.24567	1.9
445.19809	12.2
446.20764	5.2
447.21783	4.9
459.21390	4.7
460.22556	14.3
461.23224	10.9
473.23419	2.2
476.26358	1.2
491.23941	1.1
505.21951	4.7
519.24036	1.3
533.25470	43.7
593.27527	100.0
594.27826	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2753
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
58.94713	0.1
62.85299	0.1
67.05465	0.2
71.37629	0.3
86.27315	0.2
94.06488	0.2
164.21327	0.2
207.09099	0.2
209.10654	0.2
221.10754	0.2
222.11555	0.2
223.12263	0.2
265.45758	0.2
285.12466	0.2
300.14902	0.2
310.31003	0.2
314.16290	0.3
324.14987	0.2
328.18414	0.2
336.15027	0.2
375.15860	0.3
377.17358	0.2
385.15375	0.2
387.16183	0.5
388.16528	0.9
389.17520	1.6
390.18451	0.5
391.19226	0.3
398.35947	0.2
399.16382	0.2
400.17606	0.2
401.17838	1.0
402.18326	1.1
403.19162	4.0
404.19836	1.4
405.20724	2.3
406.21851	0.2
415.19110	0.5
416.15253	0.3
416.20721	0.9
417.16528	1.6
417.21451	4.4
418.17340	0.4
418.21844	2.2
419.22366	4.7
421.23712	0.3
429.16519	0.3
429.21512	0.3
430.17145	1.6
431.18173	11.1
432.18643	2.9
432.24121	0.6
433.24146	7.7
434.24765	2.0
443.18155	0.2
444.19366	0.7
444.24393	0.3
445.19910	12.6
446.20724	6.0
447.21677	7.0
448.22443	0.3
449.23346	0.4
458.21088	0.4
459.21457	4.9
460.22501	14.6
461.23221	11.2
462.20126	0.4
463.21365	0.5
464.22183	0.2
473.23929	2.5
474.24396	0.8
476.26538	1.0
477.22858	1.0
477.27094	0.5
487.25204	1.3
489.26306	0.8
491.24054	1.0
492.25443	1.2
493.26193	0.3
503.20563	0.2
504.21436	0.3
505.21887	7.1
515.24017	0.5
518.22705	0.8
519.23840	1.2
521.22351	0.2
533.25427	29.6
534.25775	1.1
547.26868	0.3
561.24579	0.7
564.23932	0.7
565.28625	0.9
574.46503	0.3
575.26642	0.4
578.25018	0.3
593.27496	100.0
594.27765	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.2
55.01864	3.6
55.05503	4.0
57.03447	8.6
57.07059	1.7
67.05496	14.9
69.07056	4.0
69.64851	1.6
70.85245	4.2
76.10055	1.3
78.22894	1.4
79.05494	17.4
81.03404	6.2
81.07060	18.4
83.08613	1.9
91.05485	19.1
93.07043	22.6
94.17168	1.6
95.04956	5.0
95.08632	10.5
98.21453	2.0
98.98471	12.2
105.07040	16.6
107.04952	31.3
107.08595	14.6
108.05289	1.8
109.10139	3.6
116.99486	1.3
117.07016	6.8
119.08579	16.7
121.02872	2.3
121.06496	1.9
121.10152	11.4
123.26491	1.4
128.06226	1.5
129.05464	4.1
129.06999	4.8
131.08566	11.1
133.06441	1.5
133.10143	13.0
135.11711	8.9
143.08556	5.8
145.06491	4.1
145.10104	10.9
147.08006	1.9
147.11728	9.7
149.13235	6.0
155.01016	2.3
155.07076	3.2
155.08492	1.4
157.10143	3.3
159.11731	7.2
161.13264	10.6
163.14876	2.7
171.11646	7.6
173.13194	7.3
175.14854	8.4
185.13231	7.1
187.44685	1.7
199.14864	2.8
215.17847	3.3
217.19572	6.1
231.21025	2.1
241.19513	29.4
243.21069	2.9
259.20590	13.3
261.03693	1.7
315.23080	2.7
333.08072	1.6
333.24240	100.0
413.04956	1.7
593.21515	1.8
593.31140	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	6.6
57.03434	6.1
67.05510	22.6
69.07063	6.5
70.06583	6.6
71.04990	2.3
71.59054	2.6
79.05495	20.2
81.03414	9.5
81.07046	22.3
83.08621	3.5
86.09735	2.1
91.05452	22.1
93.07030	22.7
95.04923	2.8
95.08595	19.4
98.98459	46.9
102.47852	2.3
105.07030	28.4
107.04957	42.9
107.08576	19.2
109.02880	6.1
109.10157	6.6
117.07032	9.7
119.08570	32.5
121.02883	4.9
121.06480	2.9
121.10176	13.0
123.04421	2.9
129.05481	4.0
129.06995	2.9
131.04985	2.8
131.08583	18.5
133.10114	20.8
135.11702	10.2
143.08578	5.7
145.06473	6.0
145.10121	12.6
147.11699	19.0
149.13284	5.3
155.01062	9.7
157.06451	2.4
157.10127	6.9
159.11707	13.4
161.13245	20.0
163.06013	2.3
163.11168	2.5
163.14847	2.8
169.10255	2.6
171.11658	11.2
173.02136	3.8
173.05904	3.2
173.13170	10.7
175.14804	12.9
184.07391	2.8
185.13254	6.7
187.14848	3.6
199.14859	6.1
215.18004	7.1
217.19603	6.1
222.06570	2.4
231.21161	4.2
241.19516	36.2
259.20541	29.8
259.98615	2.5
261.03726	4.3
275.20200	2.3
277.07971	2.4
315.23099	12.8
317.06372	5.6
333.24237	100.0
335.07242	4.7
413.20819	8.5
575.26862	3.9
593.21124	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37890	0.4
55.40059	0.4
56.05027	2.6
58.01504	0.5
60.04513	0.7
68.05022	0.8
69.04550	0.5
69.07049	0.7
70.06590	10.0
70.18497	1.1
70.18890	0.9
71.06113	0.6
71.06914	0.4
72.08147	2.4
75.05602	4.2
76.02217	1.5
81.03417	1.2
83.06113	0.7
84.04497	2.4
84.08149	4.7
85.02913	0.8
85.07647	0.8
86.09707	3.6
87.05586	8.3
88.03989	0.9
89.07157	0.6
91.05428	2.9
92.08076	0.4
93.07009	0.6
95.04950	0.7
95.06080	0.8
98.06032	0.6
99.05586	3.0
101.07131	4.0
103.05455	2.6
105.07018	1.3
107.04951	4.5
108.05266	0.4
110.07170	1.8
112.08712	0.5
113.07129	5.7
115.05039	15.7
120.08101	100.0
121.06466	0.6
121.08455	1.0
123.05544	0.9
125.03453	0.8
126.05499	0.6
127.05037	8.8
129.06580	4.8
129.10237	1.9
130.05026	0.7
130.06544	0.5
132.08136	6.2
133.06432	1.5
136.07574	1.5
140.08182	1.7
141.06587	12.6
144.07741	1.8
146.09576	0.9
147.07669	0.8
151.05029	0.9
151.07497	0.7
154.06143	1.2
156.07768	0.8
162.02167	0.5
168.07674	1.9
170.09233	1.6
172.07172	6.3
177.10220	12.1
179.04849	1.3
180.05118	0.5
180.07719	1.8
184.07188	4.6
186.08731	4.3
189.10187	7.2
192.70160	0.6
196.07161	0.7
197.10335	1.2
198.08730	9.7
200.06752	0.7
201.09906	1.1
203.11763	1.6
205.09729	4.6
208.07175	1.0
215.11386	2.5
217.09720	7.8
225.09795	0.8
227.11452	0.8
229.09375	2.1
231.11394	0.9
232.99467	0.6
233.05725	0.5
237.12306	7.3
241.09282	1.4
242.09569	0.6
243.10837	2.9
244.10968	0.7
255.10851	6.2
262.11844	3.6
265.09439	0.9
267.16162	0.5
268.10571	0.9
272.13440	3.0
273.13571	0.6
274.11877	1.6
282.11856	0.8
284.13458	0.7
286.11450	1.2
288.13437	3.6
291.14493	6.1
294.14465	2.4
295.46039	0.5
300.12979	3.8
309.09433	0.8
311.14603	1.1
312.12982	2.7
317.16150	1.5
319.14111	3.3
323.04025	1.2
329.15723	3.8
331.13748	0.6
333.15781	0.8
339.14120	9.7
345.15570	3.4
351.16672	1.6
357.15158	8.2
362.18195	2.0
374.18246	0.6
378.02325	0.7
390.17654	2.4
402.17734	2.8
408.18616	2.6
433.18387	0.7
433.35077	0.5
447.19943	0.7
458.21451	1.8
459.19897	2.4
476.22513	12.1
479.22626	1.8
486.20892	19.6
504.22058	5.0
536.41718	0.5
575.25610	2.9
593.26630	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	593.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
55.01858	4.8
55.05495	2.1
57.03441	2.9
60.72960	1.3
67.05506	7.6
69.07055	2.0
70.06570	4.1
70.25777	4.6
72.08165	1.5
79.05503	7.5
81.07042	6.2
84.04529	1.5
86.09708	2.6
91.05470	9.6
93.07041	5.0
95.04953	5.9
95.08611	3.1
103.05458	4.9
105.07031	12.3
107.04957	100.0
107.08583	3.6
109.06499	1.8
109.10126	1.6
111.04461	1.3
115.05458	4.9
117.07018	11.9
119.04944	4.4
119.08595	3.9
121.02882	19.6
121.06468	2.1
121.10117	3.2
123.04417	1.9
126.63759	1.4
128.06245	2.1
129.07002	6.4
131.04916	6.3
131.08542	3.2
132.05679	2.3
133.06493	14.4
133.10127	3.0
135.11763	1.5
141.06964	2.6
143.08582	1.9
145.06494	22.0
145.10152	1.6
147.11685	2.5
149.05927	1.7
149.13232	2.3
155.06046	1.6
157.06461	10.0
159.08063	5.2
161.05957	2.2
165.06993	2.0
167.08554	2.2
169.06479	4.8
171.04378	2.0
171.08113	1.5
173.05994	9.2
173.13191	1.9
175.07559	6.1
178.07787	2.2
179.08543	3.1
181.06578	1.6
183.08092	2.9
184.07349	2.9
185.05939	4.9
187.07512	3.6
191.08502	2.0
195.08044	2.1
197.05972	4.6
199.07515	6.8
203.08514	1.8
205.08549	2.2
207.07976	2.8
210.06769	2.0
211.07582	10.2
213.09163	3.0
215.08435	2.4
217.19499	1.5
219.08009	4.8
223.07562	5.2
225.09160	2.0
231.08046	4.0
233.09641	2.2
234.06926	1.7
235.07520	7.8
237.09113	3.3
241.19501	5.0
243.12637	1.4
247.07654	3.0
248.08386	2.4
249.09097	4.4
259.07492	1.8
259.13968	1.6
259.20596	3.0
260.08441	1.3
261.09137	2.7
262.09402	1.9
269.17645	2.5
273.09140	2.2
277.08530	1.8
277.21515	2.6
317.11682	2.1
329.11871	1.8
333.24213	12.6
341.11713	2.7
343.13614	3.2
349.12155	2.1
351.25482	2.1
353.11829	3.4
365.11926	2.7
367.13132	2.1
371.12524	7.8
373.14261	5.7
381.10852	2.4
383.12827	3.2
395.12851	2.0
409.14401	1.9
421.14517	4.6
423.15833	1.9
433.14182	1.8
435.16010	1.6
451.15329	3.7
469.17419	1.4
474.88342	1.7
515.18567	4.4
527.18488	5.5
533.19800	2.9
545.19403	5.9
557.19330	2.0
563.20349	9.5
575.20123	4.6
593.21521	9.5
593.32599	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	593.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
55.01864	1.6
56.60333	0.6
56.79730	0.5
62.24738	0.5
64.94404	0.6
70.06586	1.0
70.50215	1.9
72.77589	0.6
78.16238	0.5
78.98721	0.6
79.05500	2.9
81.03408	1.7
81.07043	0.9
83.01328	0.7
84.08121	0.7
91.05472	3.3
93.07042	0.9
93.23090	0.5
95.04961	7.0
95.08598	0.7
103.05451	1.7
103.26831	0.7
105.04517	0.7
105.07030	2.8
107.04958	100.0
108.05331	1.1
115.05457	2.5
116.86435	0.7
117.07008	1.7
117.68575	0.6
119.04945	2.1
119.52886	0.6
121.02874	13.2
121.03766	1.2
121.06511	2.5
123.04437	4.3
129.06990	1.0
131.04939	6.7
131.08591	1.4
133.06490	7.2
135.04391	0.6
141.06981	1.2
144.05713	2.3
145.06483	10.7
147.08020	1.2
155.06030	0.9
157.06500	5.8
159.08057	4.5
161.06007	0.9
165.06985	0.8
169.06503	1.7
173.06015	1.4
175.07562	4.9
175.46461	0.6
178.07794	1.2
179.08516	0.9
181.06505	1.2
184.07414	0.8
187.07510	1.5
191.08572	0.8
195.08086	1.2
199.07436	0.8
202.07745	1.1
203.08607	1.8
205.06638	0.9
205.08545	1.0
206.07329	0.6
207.08051	1.4
211.07564	1.1
215.08609	0.9
218.07295	2.0
219.08075	2.4
221.05991	0.9
221.09644	0.7
223.07674	1.2
231.08099	4.5
232.08826	2.8
233.09637	1.1
235.07578	1.8
236.08321	0.9
237.09167	1.5
245.09691	1.5
247.07523	2.7
248.08377	1.9
249.09227	1.6
255.08127	0.7
256.08969	1.0
257.09744	1.1
259.07568	4.0
260.08417	2.0
261.09158	2.8
263.10858	0.7
268.08871	1.0
269.09586	1.5
271.07632	1.5
272.08386	0.9
273.09100	0.9
277.08511	1.5
279.11813	0.8
281.09601	1.1
282.10446	0.8
283.07199	0.7
285.09283	1.6
292.08875	1.1
293.09689	0.6
295.10938	0.9
297.09097	2.3
299.10559	0.8
305.09668	0.8
307.08246	0.7
307.11029	3.6
309.09109	1.1
310.10080	1.2
311.10504	0.7
315.10132	0.9
318.10403	0.8
319.11273	1.1
323.10703	1.4
325.12286	1.9
335.10794	1.5
336.11438	1.1
337.12338	1.1
339.10208	0.9
341.11731	1.6
345.12848	1.1
347.10696	1.8
348.11548	1.0
352.11081	0.8
353.11691	7.9
355.13168	0.7
359.12747	0.9
360.11456	0.8
361.12238	1.1
365.11874	3.2
367.13367	1.3
371.12921	4.0
373.12347	2.0
375.14102	0.9
377.11700	1.8
378.12515	0.9
379.13312	1.7
383.12793	1.5
387.12842	1.0
391.13324	3.4
393.14825	1.1
395.12723	1.1
397.14111	0.8
403.13324	3.1
405.14716	1.8
409.14429	6.1
415.13687	0.8
417.13638	1.0
421.14340	3.8
423.16113	1.8
433.14450	2.0
439.15448	2.2
441.17386	0.8
451.15491	2.4
469.16229	0.9
485.17606	2.3
497.17615	3.3
503.18121	3.2
509.17346	2.0
515.18500	4.2
527.18524	3.1
533.19153	3.0
545.19269	3.9
563.20410	2.0
575.20502	1.1
593.21576	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.2
57.03429	0.4
67.05509	2.6
69.07061	1.2
70.78344	1.1
71.11046	0.3
79.05488	0.8
80.24227	0.3
81.07069	2.4
83.08599	0.4
89.06063	0.4
91.05479	1.1
93.07041	0.9
95.08598	2.0
97.06560	0.4
98.98465	4.1
105.06992	0.5
106.06544	0.3
107.08569	0.6
109.10168	0.4
111.24892	0.3
117.07015	0.5
118.06516	1.4
119.07340	0.9
121.10163	0.3
125.00008	13.5
130.06540	0.4
133.10143	0.3
134.09659	13.5
144.06979	0.6
144.08083	6.8
145.08882	3.9
160.11223	89.9
161.11530	0.7
178.12262	5.8
199.08304	0.4
212.09044	0.3
227.20087	0.5
258.08917	100.0
259.09222	0.9
286.55048	0.3
332.12515	0.4
337.27374	7.9
574.32751	1.2
592.34045	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05564	0.8
50.12391	0.8
53.03923	1.6
55.01864	2.6
55.05499	2.4
56.05022	2.8
57.01512	0.9
57.03437	4.2
58.99578	8.5
60.04523	15.3
61.02890	1.1
65.03908	0.9
67.05505	4.2
68.05026	1.9
69.03419	5.0
69.07050	1.5
70.02948	1.7
70.06589	28.3
71.06937	1.3
71.58215	1.1
71.58650	0.9
72.04501	2.7
72.08151	8.5
73.02905	1.3
74.06080	1.2
76.02226	52.6
76.03980	3.0
79.05469	3.2
79.65114	0.9
80.04996	1.5
81.03414	26.9
81.07049	2.1
83.06104	1.6
83.08604	5.7
84.04501	23.3
84.08125	8.0
85.02899	10.8
86.06063	12.8
86.09702	8.2
86.99042	2.5
87.05582	1.4
88.02216	1.2
88.03990	1.1
90.24585	0.8
91.05450	5.6
93.07026	2.4
95.04961	7.9
96.04481	6.1
97.02888	2.5
101.07113	1.7
102.05521	3.2
103.05467	2.1
104.05273	1.1
105.07012	5.3
107.04949	42.0
107.08595	1.2
109.02917	1.0
109.06532	1.1
110.07186	5.0
111.08083	2.2
112.08746	1.3
114.05524	100.0
115.05453	1.3
116.01670	11.8
116.07093	1.3
117.07024	1.7
119.04936	2.0
119.08562	2.8
120.08064	2.9
121.06493	4.4
123.07972	1.0
125.09591	1.0
127.03957	1.2
129.06929	5.1
129.10226	4.9
130.01657	0.9
130.04987	9.0
131.04915	7.5
131.08536	1.7
132.06558	91.1
133.06496	6.7
135.04399	0.9
136.07579	1.5
141.10258	1.4
142.03189	5.4
143.11807	1.1
144.01146	7.1
145.04930	0.8
145.05312	1.1
145.06477	12.4
147.07982	2.4
147.11688	1.7
148.06059	1.1
149.05949	1.9
157.06483	7.8
157.10063	2.7
159.07993	1.5
159.09210	1.3
162.02187	25.5
163.07515	2.8
169.09677	0.9
170.02654	2.3
171.11331	1.1
175.07561	4.4
175.11203	2.8
177.03369	1.2
179.04846	48.8
184.07286	1.3
187.05360	1.3
187.07501	0.8
193.12222	12.8
201.12303	0.9
211.13321	1.4
215.04855	1.3
216.03091	0.8
230.15614	0.8
233.05896	13.4
235.11156	1.0
245.05994	4.1
249.14932	0.8
250.10646	1.5
251.10674	6.4
263.10379	1.2
267.15933	7.8
267.47296	0.9
280.11838	3.2
281.11786	6.2
285.16913	2.9
290.08081	1.0
291.06500	1.0
294.11807	5.6
308.09094	39.9
331.16074	1.0
427.18845	0.9
430.18518	7.6
592.23578	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	591.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	16.4
69.03422	16.7
69.07088	34.1
69.60892	100.0
71.08636	20.9
81.07036	26.8
85.02894	29.7
93.07042	30.0
95.08556	13.4
121.06496	22.0
129.71448	13.0
189.69420	15.2
247.17024	17.4
255.21063	19.2
411.36026	16.8
414.89804	16.7
591.42084	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.0
55.05507	26.1
56.49238	3.0
57.03447	14.8
57.07069	53.7
61.31390	2.7
64.82541	3.0
67.04691	2.6
67.05161	6.1
67.05499	72.1
69.07063	22.9
71.05012	3.6
71.08631	34.0
71.20849	3.1
71.21211	7.0
76.51622	3.0
79.05492	44.9
81.07049	95.0
83.08625	19.1
85.10191	11.5
91.05489	25.1
93.07038	56.3
95.04984	5.5
95.08601	75.0
97.10152	7.8
99.55043	2.6
105.07038	20.9
107.08582	36.0
109.10160	29.3
113.58350	3.3
117.07019	8.4
119.08596	14.3
121.10130	22.9
123.11692	16.3
131.08572	17.8
133.10123	12.7
135.11702	17.4
136.37065	3.0
137.13231	6.9
139.46362	3.6
145.10136	11.6
147.11662	8.5
149.13260	13.7
159.11716	10.4
161.13232	5.6
163.14815	7.7
173.13271	11.0
175.14783	4.4
187.14854	4.3
239.23682	5.5
243.21191	16.2
261.22107	71.7
313.27325	100.0
317.24756	12.7
335.25787	66.3
499.45386	4.5
573.49097	17.7
591.37140	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	591.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.0
55.05497	11.5
57.03429	5.5
57.07072	16.3
61.02911	7.7
67.05495	7.5
69.03418	14.8
69.07066	33.8
70.03901	13.0
71.04996	3.0
71.08612	13.1
79.05492	6.7
81.03406	4.0
81.07058	17.8
83.08609	19.6
85.02901	35.5
85.10162	8.7
85.38131	3.0
87.04480	4.1
91.05460	9.3
93.07029	17.6
95.08617	23.0
97.02885	14.2
97.10169	9.5
98.21406	4.4
99.04511	3.7
105.07025	15.6
107.08591	14.1
109.02885	5.4
109.06494	8.4
109.10149	9.3
111.11707	4.3
117.07017	6.4
119.08567	7.1
121.06498	14.1
121.10114	9.5
123.11693	5.7
127.03925	9.3
129.06993	3.1
131.08514	4.9
133.10101	11.5
135.11720	7.1
145.04977	7.6
145.10123	15.3
147.08099	4.1
147.11624	6.7
149.13277	3.8
157.10164	4.1
159.11693	7.6
161.09543	3.7
161.13278	6.4
169.10066	5.3
173.13271	4.9
183.69818	3.1
185.13252	6.0
187.14803	8.0
199.14859	4.3
201.16354	5.6
203.14316	7.9
221.15302	9.4
227.17851	5.3
229.15880	8.4
229.19389	3.8
235.16937	7.3
247.16924	9.6
255.21028	12.3
273.22134	4.1
295.23962	5.2
306.40466	3.1
317.28326	8.9
393.35196	15.1
397.22147	4.8
409.22217	8.7
411.36221	10.0
429.37323	7.5
435.27457	5.4
573.41309	8.3
591.42664	100.0
592.42944	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	591.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.1
55.01866	3.1
55.05515	18.6
57.03434	5.0
57.07077	19.9
58.11885	2.4
61.02930	6.7
67.05513	14.2
69.03432	17.4
69.07070	33.7
69.07416	3.5
71.08638	16.3
71.59846	2.5
73.02914	2.3
75.59246	2.3
79.05500	14.4
81.03419	6.2
81.07055	32.7
83.08621	23.7
85.02906	40.8
85.10194	9.9
86.09682	5.2
87.04488	4.2
91.05489	15.0
93.07047	27.2
95.04980	4.4
95.08607	31.7
97.02886	14.8
97.06543	3.4
97.10177	15.9
99.04481	3.0
105.07042	21.3
107.08604	21.3
109.02908	4.0
109.06561	5.6
109.10146	20.0
111.11735	6.0
114.15076	2.4
117.07066	5.9
119.08557	13.8
121.06496	13.9
121.10152	12.9
123.08065	2.8
123.11732	9.2
125.00017	4.5
127.03944	10.8
131.08603	9.2
132.76657	2.2
133.10107	14.1
135.08047	5.3
135.11729	8.0
137.13248	3.7
143.08604	7.2
145.04990	5.1
145.10144	19.5
147.08025	3.2
147.11699	12.7
149.09692	3.4
149.13324	6.4
155.08589	3.4
157.10162	11.1
159.11717	17.9
161.09644	3.1
161.13351	9.0
169.10188	3.5
171.11760	5.1
173.13353	8.2
175.11305	2.3
175.14821	4.4
183.11723	6.5
184.07346	15.5
185.13359	6.9
187.14886	9.7
189.12837	3.2
191.18127	2.4
197.13326	6.8
199.14902	9.5
201.16420	5.6
203.14490	5.0
207.13760	3.2
211.14874	4.6
213.16425	6.7
215.18073	3.2
221.15453	7.7
225.16466	4.8
227.17941	4.1
229.15948	3.7
235.16916	4.1
239.18033	5.9
247.17070	7.6
253.19542	5.2
254.08043	2.3
255.21092	21.9
273.22260	7.0
281.22888	2.9
295.24341	6.6
303.26971	3.1
393.35117	27.8
393.39883	2.5
409.22632	3.4
411.36301	34.2
429.37204	19.0
435.27576	6.6
573.41846	13.4
591.42596	100.0
592.43213	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	591.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15448	0.5
57.03421	0.4
59.04995	0.5
67.42901	0.4
69.03418	0.5
69.49593	3.9
70.06576	1.1
73.02906	1.2
73.06545	2.9
75.99673	0.5
85.02901	0.8
87.03915	0.6
87.04458	13.8
89.06025	100.0
91.07574	0.6
95.05006	0.5
104.97988	0.4
107.04966	1.6
107.07061	3.2
117.09105	1.3
130.08614	0.9
131.07031	4.6
133.08592	52.4
151.81685	0.6
163.03944	0.6
175.09679	1.6
177.11220	12.2
177.12682	0.9
221.13853	1.6
303.04706	0.8
335.30145	0.5
336.24182	0.5
344.07578	0.8
378.02155	0.7
379.02182	0.8
399.20004	1.8
417.97345	0.5
591.21594	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
55.01861	7.7
55.05510	9.5
57.03435	18.0
57.07062	1.9
60.18617	1.1
64.68285	1.0
65.03948	2.0
67.05503	19.0
69.03430	1.5
69.07059	7.7
69.57729	8.2
70.06583	5.7
71.04979	1.9
72.08144	1.5
73.02905	2.5
75.04450	1.2
79.05067	1.5
79.05495	21.9
81.03409	9.1
81.07056	23.4
83.04985	2.1
83.08614	4.4
83.58258	1.0
84.04501	2.9
84.08148	3.4
85.02911	1.6
85.06544	2.2
85.25434	1.1
86.09711	5.3
91.05485	32.6
93.07047	20.3
95.04972	4.7
95.08611	12.6
97.06500	1.4
98.20848	1.8
98.98466	29.7
99.04436	2.1
103.03986	5.4
103.05476	3.1
105.07028	34.9
107.04947	13.3
107.08576	10.3
109.02869	3.5
109.06499	1.7
109.10163	5.0
111.08141	1.1
115.05437	3.8
116.99515	1.7
117.07012	28.6
119.08581	30.3
120.08069	2.2
121.02864	2.1
121.06532	2.6
121.10109	6.8
123.08078	2.0
123.11709	1.3
123.35967	1.0
128.06233	3.2
129.05489	21.0
129.06981	15.0
129.10251	1.8
130.07779	2.4
131.04964	2.2
131.08565	37.6
133.06473	2.7
133.10133	20.4
135.11714	2.6
141.06978	7.9
142.07816	3.7
143.08554	11.2
145.06471	3.9
145.10120	29.9
147.08043	1.9
147.11679	11.0
149.13232	2.0
153.06963	1.3
155.01025	5.1
155.07045	4.0
155.08560	6.5
156.09352	1.4
157.06438	3.1
157.10129	13.8
159.08025	2.0
159.11702	27.8
161.09621	1.4
161.13222	10.0
168.09398	2.1
169.08583	3.5
169.10127	8.9
171.11665	11.9
172.95284	1.2
173.02168	3.9
173.09602	1.8
173.13258	18.0
175.11185	1.8
175.14841	2.1
177.12668	2.2
183.11694	10.1
183.54160	1.3
184.07281	1.8
185.13249	6.1
187.11177	3.0
187.14735	2.1
189.16359	3.6
197.13258	6.0
199.14706	2.1
201.12730	1.8
201.16441	2.0
203.14311	1.5
211.14783	2.7
213.16347	10.1
215.14557	1.1
215.17935	21.4
219.17444	4.3
229.19501	7.4
239.17932	40.7
241.19490	4.4
247.07397	1.2
257.19016	37.7
261.03674	2.6
266.07239	1.1
273.18497	2.6
275.20087	13.3
287.19995	2.3
299.79849	1.1
313.21613	9.6
331.22656	100.0
332.22998	3.1
335.07492	3.4
349.23669	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	591.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	7.9
55.01862	16.4
55.05508	22.8
56.05025	6.7
57.03437	29.6
57.49455	4.9
63.22604	4.0
65.83398	4.4
67.05505	31.3
69.03437	9.2
69.07054	11.2
69.97162	26.2
70.06591	54.4
71.04984	5.9
71.87081	4.4
72.08160	8.7
74.06081	5.2
75.46996	4.0
79.05492	46.1
81.03414	22.5
81.07055	40.5
83.04987	5.6
83.08610	6.3
84.04498	14.8
84.08134	23.9
85.02864	4.6
86.09698	38.0
91.05484	61.8
93.07046	41.9
95.04948	15.8
95.08591	29.8
95.25652	4.6
98.21361	5.9
98.98462	96.2
99.04444	6.8
99.84734	6.0
102.69653	5.0
103.03931	9.6
105.07039	56.8
107.04958	69.8
107.08604	33.1
108.05251	5.0
109.02861	12.2
109.06489	7.8
109.10146	12.1
110.07164	8.2
115.05447	13.2
117.07012	47.6
119.04960	5.4
119.08597	47.0
120.08107	15.3
121.02763	5.6
121.06512	5.8
121.10160	13.2
123.08073	5.3
125.09590	5.2
127.03901	6.0
129.05470	16.1
129.07034	26.5
129.10234	15.5
131.04938	18.8
131.08557	63.6
133.06470	14.4
133.10127	23.4
135.08073	7.1
135.11659	8.4
136.07597	8.2
140.14711	5.5
141.06981	10.7
142.07732	4.5
143.08534	19.4
145.06445	22.1
145.10159	52.0
147.04358	6.2
147.11693	13.3
149.09554	5.2
153.09114	19.8
155.01036	39.2
155.08536	7.4
157.06412	9.9
157.10115	22.0
159.08092	8.8
159.11668	47.4
161.13329	11.7
163.11166	5.3
169.06540	9.6
169.08644	5.1
169.10109	14.7
171.11697	13.1
173.02162	6.8
173.05965	6.9
173.13300	32.2
183.11650	13.6
184.07353	14.2
185.13249	25.1
187.11127	7.9
187.14626	5.4
197.13174	9.9
199.14763	6.2
201.16399	7.0
213.16388	14.1
215.17929	17.9
219.08070	7.1
219.17523	11.7
223.07506	6.3
225.09163	7.4
229.19514	7.4
237.09190	8.3
239.17949	47.0
241.19322	6.8
257.19028	73.4
261.03833	5.8
261.09039	8.9
275.10699	5.8
275.20078	37.5
277.08942	5.5
313.21591	14.3
317.06293	5.5
331.22641	100.0
335.07224	8.1
349.23810	29.8
376.41376	5.8
591.27649	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	591.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11838	0.8
53.03937	1.7
55.01864	1.4
56.96565	1.0
57.03432	5.0
65.82536	0.7
66.82873	0.7
67.05488	3.0
69.03432	6.0
69.03748	1.1
69.42359	2.0
69.42770	5.3
70.06580	3.9
71.01362	1.4
71.04978	1.9
72.08144	0.9
73.02930	1.2
75.04465	1.3
79.05484	2.3
81.03426	3.9
81.07046	3.3
84.08141	1.5
86.09699	5.9
91.05481	5.6
93.07044	2.3
95.04980	1.3
95.08620	1.8
98.98446	3.5
99.04455	4.2
104.10735	3.3
105.07024	4.5
107.04953	27.5
107.08562	0.9
109.06486	1.0
115.05434	1.4
117.05457	1.0
117.07004	2.7
119.04921	1.1
119.08553	2.2
121.02869	1.1
121.06532	1.9
124.99967	2.1
128.06194	2.1
129.06982	3.1
131.04906	2.0
131.08527	3.3
133.06462	3.0
133.10109	1.8
141.06990	1.7
143.08540	1.6
145.06493	3.9
145.10121	1.8
147.08052	1.1
149.05962	1.0
153.06787	1.0
157.06447	2.7
159.08058	4.2
159.11650	2.4
161.09665	0.9
163.63876	0.8
169.06493	1.6
172.08708	11.0
173.05971	1.1
173.13271	1.3
175.91721	0.9
184.07321	5.4
189.09064	1.9
190.09680	1.3
200.08235	2.1
213.16327	0.9
216.07729	8.4
216.09723	1.1
218.09161	1.3
239.17877	2.3
243.08774	59.9
244.09412	5.3
247.07645	1.0
257.10358	1.0
257.18970	2.0
259.07706	1.0
272.29504	0.8
275.20099	1.7
276.44901	0.8
276.62286	0.8
285.12674	0.8
285.62793	4.0
286.12918	1.3
294.63232	1.1
296.11951	1.1
301.25458	0.9
313.21713	0.9
331.16016	1.2
331.22629	3.5
341.12106	1.1
349.16721	1.5
349.23770	1.9
353.11346	0.9
359.13489	1.1
377.14554	100.0
378.15274	19.6
379.16211	5.1
437.97495	1.0
531.17505	0.9
591.20117	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75090	2.8
70.94286	9.1
77.86958	3.0
107.04964	8.3
118.06519	18.6
126.12832	2.8
128.42503	2.7
132.08073	6.0
132.97298	2.9
135.67108	2.8
137.76483	3.1
141.28571	2.7
144.08102	12.1
146.06004	75.2
147.04411	4.1
159.09093	3.6
170.06052	4.7
188.07063	100.0
205.09718	36.4
214.97369	3.5
349.55579	3.1
364.97714	3.2
564.33740	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	591.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.7
55.01866	4.8
55.05506	5.1
56.05022	6.7
56.92902	3.8
57.03421	9.6
61.02909	9.7
65.36340	3.8
69.03435	28.3
69.07059	6.1
70.06592	89.4
71.04963	5.4
71.12101	7.3
72.08152	22.8
74.06058	4.4
79.05492	7.6
81.03391	10.7
81.07050	5.1
84.04492	16.9
84.08139	36.9
85.02908	68.9
86.09707	49.0
86.53251	4.5
87.04485	5.0
87.05605	5.9
91.05454	13.2
95.04948	6.2
95.08607	5.7
97.02883	22.6
99.04431	7.9
103.05432	12.2
105.07021	6.6
107.04948	56.2
109.02880	12.3
110.07117	13.0
115.05435	17.8
116.98587	4.4
117.07008	15.6
117.25826	3.8
120.08096	14.9
127.03912	13.5
128.06206	13.6
129.07013	51.9
129.10242	23.3
130.05023	7.0
131.04930	26.4
132.05685	5.1
133.06381	10.0
136.07568	8.2
138.75763	4.1
141.06950	15.8
144.05685	4.4
145.06488	85.1
147.07965	12.6
153.07018	7.3
157.06487	92.6
165.06961	9.8
166.07863	5.5
168.05722	4.2
169.06500	97.6
175.07497	7.4
178.07721	7.9
179.08519	8.0
183.08127	5.9
184.07347	9.6
187.07520	8.4
189.06929	7.6
190.07735	10.9
191.08493	18.1
194.07310	7.7
195.08055	5.7
197.05966	5.5
199.07501	4.4
202.07596	6.4
203.08588	8.7
205.10092	6.6
207.08038	11.0
209.09595	11.7
215.08473	13.5
218.07288	11.7
219.08018	40.6
221.09612	12.9
223.07524	9.9
225.09041	10.3
225.72545	4.6
230.36748	4.3
231.08055	18.6
233.09682	19.1
234.06766	9.1
234.10426	4.2
235.07539	42.4
236.08344	6.8
237.09123	100.0
242.07407	5.5
243.08022	14.7
247.07542	9.0
249.09116	37.0
250.09769	6.4
253.08740	4.5
255.10101	36.4
257.09909	5.2
259.07367	4.4
261.06552	6.2
261.09085	49.8
262.09814	11.9
263.10437	3.9
275.10617	6.4
287.11002	6.1
319.11102	5.1
335.10602	6.2
353.11801	6.8
363.13696	9.7
365.11414	8.2
365.15414	13.3
375.13879	7.3
381.14859	56.3
393.14795	56.7
399.15979	11.4
411.15857	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	591.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	18.1
55.05504	9.8
57.04440	5.5
67.05502	9.8
69.07059	6.4
70.06581	12.1
79.05468	12.0
81.03444	5.3
81.07064	8.9
83.08604	6.4
84.04503	5.7
86.09710	7.3
91.05489	30.5
93.07023	9.1
95.08585	8.3
103.05445	9.8
105.07027	31.5
107.04959	43.0
107.08591	8.6
109.10104	7.7
115.05472	36.1
117.07013	60.2
119.04953	15.1
119.08556	11.8
128.06248	10.9
129.06989	20.0
131.04922	19.8
131.08553	7.1
133.06500	32.2
141.06976	6.9
143.04965	7.7
143.08580	6.2
145.06488	82.1
147.04346	8.4
155.04907	9.4
155.06070	6.1
157.06491	21.4
161.05972	8.7
165.06985	5.9
169.06474	8.0
171.04439	24.5
173.05969	35.0
183.04442	10.3
185.06027	25.3
191.08496	6.9
193.06616	5.9
195.08025	7.1
197.05997	12.3
199.07555	10.5
205.06442	7.0
207.08067	7.2
210.06740	11.7
211.07504	34.8
219.08110	8.4
221.06003	6.8
223.07516	13.0
234.06873	7.8
235.07539	20.7
237.09074	8.5
247.07474	12.3
259.59900	4.8
261.09268	7.3
262.09714	5.3
268.08762	5.8
281.09436	9.9
289.10083	6.4
297.09073	5.7
305.09702	10.9
307.11230	8.8
311.10559	5.6
321.08969	6.5
325.12408	6.8
335.10696	15.2
337.12201	9.1
338.09531	6.2
341.11560	10.4
343.13370	7.6
347.10196	5.7
350.09027	5.8
351.10223	20.4
352.10834	8.5
353.11609	29.4
363.10083	14.4
365.11810	18.2
369.11432	12.4
371.12784	18.9
381.11145	15.0
383.12924	9.2
393.11520	8.6
429.33618	9.8
471.15512	6.9
485.17557	15.4
495.15924	7.9
497.17255	17.6
499.14343	7.5
503.18326	21.5
507.15887	11.4
513.17010	100.0
515.18274	18.4
525.16785	64.9
531.18323	58.3
537.16888	14.1
543.17902	9.6
561.18750	15.1
597.40576	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	590.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.75042	0.9
57.07071	21.0
60.97341	0.8
69.07037	2.3
70.20870	3.0
71.08624	42.7
73.06512	2.2
76.59510	0.9
79.05465	1.8
85.10171	23.9
87.04468	12.7
89.06024	100.0
91.05472	14.8
93.07047	7.7
95.04956	3.5
103.05458	2.5
105.07030	6.0
107.04936	3.3
107.07026	3.2
107.08565	3.9
110.68213	1.0
117.06998	2.1
118.07745	1.5
119.04914	3.9
119.08576	5.7
121.05636	1.9
121.06498	29.7
121.10118	1.6
123.08099	1.3
127.14795	2.4
130.08650	1.6
131.07054	5.1
133.08597	66.3
135.08014	7.1
135.11681	3.1
136.05215	1.2
147.08037	9.9
147.11650	1.0
149.09583	6.4
150.06712	3.2
161.09610	0.9
163.11174	4.4
165.09090	13.3
167.10651	2.1
175.09665	3.0
177.11221	20.8
177.12668	1.3
191.10680	3.3
193.12321	2.2
209.11713	7.2
211.13341	2.6
221.13809	3.3
235.13245	2.1
247.20537	16.7
253.14314	2.8
255.15851	2.0
265.16269	1.4
273.22055	1.9
275.51514	1.1
279.16098	1.0
283.17566	1.2
289.25217	1.7
291.23178	33.7
315.17767	1.1
317.24835	2.3
335.25806	7.3
354.65286	1.0
359.20654	1.5
379.28220	1.3
403.23257	1.4
447.25864	7.9
529.37256	1.4
573.40179	14.2
590.42261	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	590.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01862	0.9
55.05508	1.6
57.07066	2.5
61.61042	0.7
67.05483	1.1
68.14730	0.6
69.07069	6.1
69.50014	4.9
70.07401	0.7
71.08639	2.8
79.05493	4.1
81.07057	2.6
83.07967	0.5
83.08606	2.7
84.12376	0.5
85.02896	0.8
85.10169	1.9
87.04469	0.9
87.37796	0.5
89.06023	4.8
91.05472	1.6
93.07037	1.1
94.53533	0.6
95.04950	1.4
95.08607	1.7
97.10155	0.9
103.05453	2.0
105.07031	32.8
107.04964	1.0
107.08574	1.6
109.10145	1.0
115.05436	1.1
121.06528	1.8
121.10110	0.9
131.08611	0.8
132.89270	0.6
133.06493	100.0
134.06834	1.1
145.10185	0.9
147.08041	0.7
156.13892	0.9
159.11765	0.7
177.11267	0.9
199.06894	0.7
206.18054	0.6
221.63786	0.7
247.20621	1.2
247.76065	0.7
291.23096	1.2
301.25284	0.6
303.23026	0.9
337.27621	2.0
348.34433	0.7
429.33459	0.9
452.26196	0.7
465.09662	0.9
588.53748	0.6
590.41040	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.3
56.05029	0.6
58.06590	0.7
68.05022	0.9
69.07054	0.4
70.06588	35.8
70.08556	0.4
70.08951	0.7
71.01274	0.2
71.06935	0.4
72.04502	0.3
72.08151	4.4
73.02882	0.4
73.87519	0.2
81.03443	0.2
84.04499	0.5
84.08138	4.2
85.02905	0.5
86.06068	0.3
86.09697	2.1
87.04467	0.6
88.07626	1.9
89.06026	6.2
96.08115	1.6
98.09698	0.3
102.05554	0.3
107.04946	2.2
108.05307	0.4
112.07594	0.3
114.09158	28.7
116.10723	0.3
116.98565	0.3
131.05013	0.3
132.10208	1.3
133.08640	0.5
158.11768	0.9
167.51904	0.2
176.12808	6.0
176.14273	0.4
180.20181	0.2
194.73830	0.3
202.14413	0.6
204.09097	0.2
220.15417	2.9
225.04628	0.3
246.17029	0.3
264.18036	4.8
308.20679	3.9
352.23294	3.3
396.25900	2.2
398.19693	0.4
428.16055	0.7
440.28586	0.6
484.31281	0.6
586.48535	0.3
590.37421	100.0
591.37555	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	589.4821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.6
55.05492	21.1
57.03435	12.8
57.07077	43.0
67.05494	33.4
69.07079	18.0
71.08614	22.9
71.59757	12.8
79.05483	34.0
81.07069	43.0
83.08617	8.7
85.10135	13.8
91.05486	51.7
93.07055	47.6
95.08619	49.0
97.10141	7.5
98.04920	6.8
105.07025	44.0
107.08588	22.4
109.10124	11.8
117.06950	11.3
117.25685	7.2
119.08571	35.4
121.10156	22.6
123.11708	12.0
129.06964	12.5
131.08572	17.4
133.10152	45.5
135.11621	14.4
139.22455	7.4
143.08623	7.9
145.10089	24.7
147.11658	33.4
149.13226	13.8
157.10094	11.0
159.11656	14.7
161.13225	25.2
171.11653	20.9
175.14774	12.2
231.21001	10.2
236.09975	7.5
241.19513	32.4
259.20557	100.0
313.27325	91.5
333.24252	51.0
450.29834	8.4
589.41693	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	590.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	12.7
56.71248	4.8
57.07053	10.7
67.05503	38.1
69.03410	6.0
69.07064	33.6
70.04047	10.7
70.06588	6.6
71.04989	27.6
71.21163	11.3
72.08128	7.1
73.02903	4.3
74.05751	3.8
78.75604	3.8
79.05500	26.8
81.03397	9.6
81.07052	100.0
83.08593	12.2
85.02877	12.4
91.03977	4.2
91.05475	28.9
93.07037	74.1
95.04948	8.1
95.08604	52.5
97.02868	9.3
97.06517	8.7
97.10126	9.3
99.08058	5.7
105.01833	8.1
105.07024	36.5
107.04958	13.1
107.08590	68.5
109.02878	5.9
109.06465	4.5
109.10149	87.3
117.07014	7.0
119.08578	41.7
121.06500	7.6
121.10146	50.6
123.11728	18.2
125.09624	13.8
127.03903	9.6
127.11182	55.3
131.08553	11.0
133.10109	28.2
135.11690	31.5
137.13266	8.5
143.08543	4.5
143.10617	9.7
145.10150	22.4
147.11700	29.8
149.13249	60.4
153.12712	8.4
156.45479	4.2
158.06654	3.7
159.11687	14.5
161.13255	13.9
163.11183	4.6
163.14848	14.3
173.13228	10.4
175.14867	6.2
177.16409	6.6
179.14284	5.1
187.14796	18.9
189.16325	11.1
191.17950	8.6
193.15805	6.8
201.16409	11.5
203.17924	39.9
215.17896	12.4
218.15849	4.6
271.24167	23.5
289.25146	15.4
291.19516	7.9
406.48209	4.0
590.24860	4.0
590.36639	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	589.4822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54045	2.5
53.03931	2.5
55.05509	15.5
57.03432	9.8
57.07069	43.3
61.37712	2.1
66.24914	1.9
66.52621	1.7
67.05177	3.2
67.05501	36.9
69.07061	19.1
69.33890	20.3
70.94723	2.0
71.04984	2.2
71.08626	24.8
73.04189	1.9
79.05493	33.3
81.07051	44.3
83.08624	11.4
85.10185	12.5
91.05475	49.7
93.07040	36.7
95.04960	8.0
95.08594	45.3
97.10154	6.5
99.08055	4.4
103.05364	2.2
105.07020	50.1
107.08578	22.6
109.10146	17.3
115.05478	2.0
117.06999	11.9
117.43394	2.4
119.08566	47.0
121.10117	15.2
123.11693	4.1
129.06984	6.2
131.08537	20.4
133.10123	35.1
135.11665	16.8
137.06010	2.0
143.08551	7.8
145.10100	20.2
147.11678	45.4
149.13208	9.9
157.10077	7.2
159.11653	17.8
161.09608	2.9
161.13237	34.0
163.14700	3.8
171.11682	12.8
173.13310	10.5
175.14799	12.0
177.12732	2.2
185.13249	7.3
187.14809	2.8
199.14742	5.0
201.16571	2.7
213.16434	3.9
216.67004	2.0
217.19447	2.1
231.21156	13.4
239.23616	3.8
241.19496	45.3
259.20547	88.2
277.21527	7.4
313.27341	100.0
315.23151	5.5
333.24167	53.5
351.25198	2.6
424.96945	2.2
454.56030	2.1
497.43317	2.1
571.46948	9.2
589.48566	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	589.4821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	17.1
57.03439	9.9
57.07071	54.0
57.74818	3.2
63.47971	3.7
67.05495	44.1
69.07074	19.1
70.62708	11.7
70.63056	4.5
71.08625	33.3
79.05482	33.7
81.07057	47.1
83.08613	14.9
85.10178	21.6
91.05470	46.1
93.07035	46.8
95.04967	6.9
95.08598	55.9
97.10127	6.5
105.07015	54.6
105.43621	3.5
107.08585	26.8
109.10181	18.6
117.07014	12.9
119.08568	68.0
121.10118	23.6
123.11768	7.7
129.06981	7.3
131.08566	27.4
133.10110	46.7
135.11650	21.2
137.09531	3.8
143.08559	8.8
145.10117	22.7
147.08119	4.1
147.11691	48.3
149.13297	13.0
157.10129	7.3
159.11644	19.3
161.13271	39.8
171.11707	17.0
173.13274	12.3
175.14812	16.1
177.12839	4.8
185.13216	8.9
191.18840	3.6
199.14806	9.6
213.16402	4.6
222.33862	3.3
231.21056	10.6
239.23772	7.1
241.19479	45.4
259.20551	95.1
313.27328	100.0
315.23093	6.0
332.51086	4.2
333.24228	48.0
510.78400	4.0
555.31567	4.3
571.47070	7.9
589.47980	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	589.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.1
55.01862	3.2
55.05301	1.8
55.05508	18.0
57.03423	1.9
57.07075	15.4
60.41938	1.5
67.05167	2.2
67.05501	29.0
69.07064	15.0
70.77628	4.4
71.04967	2.7
71.08627	17.9
79.05058	2.0
79.05487	28.2
81.03409	9.6
81.07050	35.3
83.04983	7.9
83.08607	8.1
85.10172	23.0
87.85150	1.7
91.05479	24.7
93.07041	34.9
95.04976	11.2
95.08602	26.4
97.06511	5.8
97.10156	5.7
99.08088	8.0
104.68389	1.5
105.07030	16.5
107.04967	10.7
107.08576	18.2
109.06493	4.4
109.10137	8.8
111.08051	3.4
113.09631	25.6
117.06989	3.1
119.08585	13.1
121.10157	12.7
123.08038	3.4
123.11681	2.6
125.09592	2.1
129.07013	3.1
129.40752	1.8
131.08534	4.0
133.10120	10.2
135.11703	18.7
143.08556	2.0
145.10104	4.4
147.08080	1.7
147.11711	7.8
149.09607	6.1
149.13228	8.1
151.11195	9.3
153.12700	2.2
159.11691	2.7
161.13258	8.9
163.11189	6.6
163.14833	2.1
165.12755	31.1
171.11609	2.0
175.11140	2.7
175.14780	2.0
177.12762	2.0
179.12723	2.5
179.14301	52.2
181.48404	1.5
189.11264	2.0
193.12234	2.2
195.13693	1.9
201.16190	1.6
231.21063	2.3
241.19414	3.5
259.20465	5.3
277.21606	100.0
278.21854	1.8
291.89490	1.6
295.22647	84.9
349.38654	1.6
444.51883	1.6
589.48608	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	589.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92099	3.0
55.05507	18.4
57.07058	4.0
57.69788	3.3
64.42700	2.9
65.03922	3.7
67.05489	11.9
69.03433	6.2
69.07049	8.9
69.82896	17.2
71.08603	4.8
81.07014	9.8
83.08630	19.9
85.02915	3.9
91.05464	5.6
93.07054	5.8
95.08617	11.3
97.48470	3.0
105.07051	7.8
107.08604	3.1
109.10174	4.8
180.65727	3.1
243.91927	3.1
315.26901	5.1
409.34616	6.6
427.35959	3.7
482.71564	3.3
491.37247	8.4
589.41547	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	45.8
57.07061	22.8
65.94907	5.8
67.05490	19.4
69.03447	6.7
69.07066	38.2
71.04987	9.1
71.08656	7.1
71.50540	12.8
79.05495	8.1
81.07047	35.6
83.08623	100.0
85.02893	16.8
87.48906	5.4
91.05470	5.7
93.07025	8.5
95.04947	7.3
95.08604	19.2
97.10186	8.5
105.06966	7.1
107.08607	7.4
109.10166	15.4
119.08578	6.8
123.11718	6.3
129.97568	5.5
137.05986	10.3
137.13132	6.0
215.14436	7.9
255.21104	8.1
271.20547	8.2
277.17938	7.2
289.21619	13.3
409.34573	8.2
461.29880	5.6
491.37030	8.8
499.52222	7.0
505.31134	8.0
536.58093	6.5
571.39429	6.2
589.42023	92.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04786	0.6
53.03934	1.3
55.01857	0.8
55.05499	2.5
57.03437	1.6
57.06829	0.7
57.07077	10.2
61.02913	2.7
67.05479	2.6
69.03431	5.9
69.07068	7.2
70.22569	3.3
71.08631	7.4
73.02899	2.4
73.18309	0.6
79.05488	2.7
81.03397	2.5
81.07057	4.9
83.08612	3.0
84.93783	0.7
85.02424	1.2
85.02904	11.6
85.10191	6.9
87.04462	1.2
91.05477	6.4
93.07045	10.1
95.08617	6.2
97.02878	3.7
97.10170	1.3
99.04460	1.0
105.07019	9.2
107.08566	5.3
109.01887	0.6
109.02843	1.1
109.06528	1.1
109.10166	3.6
115.07584	0.8
117.07019	2.5
119.08591	5.1
121.06497	1.6
121.10132	2.5
123.08099	0.8
123.11713	1.6
127.03903	1.3
128.06268	0.8
129.06999	1.8
131.08571	4.8
132.09335	0.9
133.06494	1.3
133.10127	11.0
135.08066	1.4
135.11687	1.7
139.07512	0.8
143.08575	2.7
145.04958	1.7
145.10091	3.2
147.08051	2.0
147.11685	3.0
149.13309	0.8
153.09077	1.9
157.10110	3.9
159.08052	5.7
159.11717	3.5
160.08842	1.6
161.09616	14.1
161.13202	1.3
163.11119	1.0
169.10060	0.7
171.11674	1.7
173.09639	2.4
173.13203	1.4
175.11165	4.2
181.10117	1.1
183.11688	1.2
185.13268	2.1
187.11195	5.4
187.14861	1.3
197.07170	1.0
199.14827	1.2
201.12715	2.1
204.79442	0.7
209.13316	1.3
210.06636	0.7
213.12720	1.0
213.16508	0.9
215.14313	2.7
219.13811	1.0
227.14297	1.8
227.17926	2.1
233.15411	1.1
241.15866	2.1
241.19417	1.0
245.15445	1.9
251.17932	1.7
255.17468	1.5
259.16705	0.8
269.19019	11.0
285.18457	0.8
287.20062	13.8
301.25262	20.6
315.27008	0.8
317.28391	0.8
391.33447	1.3
409.34610	8.0
421.22269	7.1
427.35815	14.8
431.13507	0.7
433.25919	1.1
435.23727	3.2
449.25348	100.0
450.25757	1.5
456.33951	0.8
464.09641	1.7
589.41083	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.6
57.07075	4.3
67.01614	0.5
67.05503	0.9
69.07063	12.2
70.07389	0.5
70.07816	0.5
71.60356	0.5
71.60722	0.4
83.01101	8.5
89.06013	0.4
95.04980	0.4
95.08617	0.4
105.07033	0.6
107.08578	0.3
110.03434	0.7
111.04192	5.0
112.04973	1.0
113.05756	0.4
114.97497	0.4
115.07552	1.9
121.10179	0.3
126.99446	1.1
127.03674	9.7
129.01047	1.3
131.00723	1.2
139.07321	0.5
141.01012	1.1
141.05196	0.7
143.00777	1.1
144.03935	0.9
155.02605	0.6
155.06770	9.5
157.02304	0.4
171.06270	7.4
171.07617	0.5
173.04282	0.4
173.13214	0.3
183.09908	0.4
197.07289	3.4
199.06998	3.0
199.09402	0.9
215.08922	1.2
243.12012	3.2
245.83499	0.4
259.11694	1.7
321.64163	0.3
324.15024	0.4
393.18701	0.5
414.18253	0.4
432.79382	0.3
446.08389	4.6
464.09537	5.3
485.25204	0.6
539.20856	0.4
589.31323	100.0
590.31647	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	589.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27648	1.0
53.03944	1.1
55.01859	1.4
55.05513	7.4
57.03434	2.0
57.07071	6.6
61.02914	2.5
67.05496	3.9
69.03433	7.8
69.07072	14.4
69.50700	2.5
69.51100	7.6
71.08624	3.8
72.13691	1.1
73.02914	1.3
75.01395	1.0
79.05488	3.9
81.03416	3.7
81.07056	4.8
83.08617	4.0
84.26484	1.1
85.02903	15.2
85.10182	1.4
87.04455	2.3
91.03924	1.2
91.05492	6.6
93.07039	8.4
95.04950	1.1
95.08595	5.1
97.02897	5.4
97.10169	2.3
105.03399	1.1
105.07027	10.6
107.08598	4.1
109.02890	2.7
109.06518	1.9
109.10176	2.9
117.07010	2.1
119.04968	2.1
119.08570	5.1
121.06509	17.6
121.10165	1.6
123.08109	1.7
127.03889	5.0
128.06230	1.1
129.06973	2.4
129.20161	1.1
131.08582	3.2
133.06493	6.1
133.10118	3.2
135.08052	6.9
135.11668	1.2
141.06987	2.0
143.08566	2.8
145.04935	2.5
145.06511	1.9
145.10150	3.3
147.08020	5.0
147.11691	4.9
149.09630	2.3
155.08524	2.2
157.10158	3.3
159.08080	9.3
159.11710	2.7
161.09616	5.4
169.10287	1.6
171.11658	2.4
173.09576	2.1
173.13283	2.9
175.11162	17.2
180.24191	1.2
183.11748	2.0
185.09613	2.8
185.13219	5.3
186.10396	1.4
189.12849	1.8
197.13260	2.3
199.11194	2.8
199.14839	4.3
200.12032	1.8
201.12741	15.8
203.14268	1.5
209.13272	1.8
215.14310	22.7
217.15939	1.9
218.13493	1.2
219.13753	6.1
227.14304	12.8
229.15944	2.1
231.17490	1.3
233.15363	18.0
235.16893	1.3
238.03864	1.5
245.15392	7.5
269.18973	3.0
287.20074	3.6
297.25885	1.3
315.26889	3.9
391.33624	3.9
395.20645	1.6
407.20874	5.4
409.34750	4.5
427.35794	2.1
449.25195	5.7
461.31580	1.0
553.63501	1.2
568.43683	1.2
571.39319	1.9
589.40997	100.0
590.41492	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	589.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75703	0.8
53.03933	1.1
55.05499	1.3
57.07075	23.7
60.95663	0.8
67.05506	2.2
69.07063	100.0
70.04057	2.8
70.07414	1.9
70.07832	4.5
79.05502	2.1
80.75302	0.8
86.48994	0.9
89.06023	1.9
91.05471	2.0
95.04952	1.7
98.99982	2.2
100.99683	0.9
105.07020	37.7
106.07362	6.3
107.07649	0.8
111.04424	0.9
113.01539	1.4
115.01298	1.0
115.07557	15.9
120.27457	1.1
123.34669	0.8
126.99502	5.5
128.08331	0.9
128.99156	3.2
129.01021	7.8
131.00745	6.4
133.08582	1.0
141.01025	9.6
143.00725	9.6
155.02582	3.2
157.02313	3.1
157.28011	0.9
187.04251	1.0
197.07278	23.9
198.07639	2.6
199.06956	21.8
210.70740	1.2
225.06706	1.4
227.06483	1.2
230.11517	1.4
231.80086	0.9
245.62573	0.8
262.01715	1.2
278.03195	1.5
318.08136	1.2
334.09457	2.7
336.09189	2.8
343.44952	1.0
393.16275	0.8
446.08490	39.9
464.09546	58.0
520.15723	5.1
589.32422	2.7
589.82983	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
53.31554	0.4
54.82432	0.4
55.01860	1.9
57.03422	1.8
61.02909	1.5
66.04745	0.4
68.99779	0.8
69.03425	7.3
70.06592	4.1
71.04982	1.2
71.60480	0.5
72.08150	1.3
72.64750	0.4
73.02904	1.5
79.05495	2.3
81.03419	8.3
81.03886	0.3
81.07037	0.8
84.04528	0.7
84.08139	1.2
85.02902	15.3
86.09719	2.5
87.00824	5.3
91.03916	0.5
91.05483	4.0
93.37859	0.4
94.04188	3.0
95.04945	1.0
97.02890	5.1
99.04446	3.0
103.05441	1.3
104.06264	0.4
105.01857	3.7
105.07021	5.8
107.04951	3.8
109.02885	7.4
109.06533	2.0
115.03975	1.0
115.05429	3.1
117.01837	0.7
117.07027	1.1
119.04983	0.8
119.08591	2.2
120.08121	1.0
121.06476	1.0
122.03645	6.3
127.03915	13.6
128.06209	1.9
129.01845	1.0
129.06985	2.7
131.04921	1.4
131.08583	0.5
132.05685	2.6
133.06491	4.3
137.05974	100.0
138.06331	0.7
141.06946	0.5
143.04840	0.7
145.04959	3.5
145.06454	1.5
146.03613	1.6
147.02931	0.5
147.04390	1.4
147.08049	3.6
149.05962	2.7
151.03874	0.5
151.07616	0.6
155.04892	0.9
156.05667	0.6
157.06512	0.5
159.02908	4.1
159.08084	2.5
160.05214	2.2
161.05983	16.4
163.07574	1.2
165.06941	0.7
167.07114	0.7
171.07991	1.0
172.05205	1.2
175.07553	33.0
177.05421	0.7
179.07033	1.6
179.08516	0.4
184.05191	0.8
185.05832	0.6
187.07520	8.9
189.03992	0.6
189.05487	0.6
189.07008	0.8
189.09097	1.5
190.07761	2.9
191.08546	7.6
192.09317	0.5
199.07552	7.1
202.07732	4.1
203.06955	0.5
203.08566	7.7
205.06610	0.9
207.08005	0.6
208.08778	0.8
213.03879	0.5
213.06876	0.4
215.08612	0.8
217.08563	1.0
218.07338	1.7
219.08029	13.0
220.08708	3.1
221.09499	0.6
229.08557	1.2
230.07254	0.6
231.05060	1.8
231.08043	10.1
232.08795	2.4
233.06081	0.6
233.09604	1.0
235.07570	1.4
235.11154	0.7
236.08353	2.2
237.09113	0.8
243.08083	0.6
247.07520	4.7
248.08379	4.9
249.09172	0.9
251.10664	14.7
258.06918	0.6
259.07501	6.9
260.08231	2.3
261.09174	1.4
262.09872	0.7
263.10663	5.0
264.07791	1.5
265.08551	1.6
275.07071	1.0
276.07782	3.2
277.08612	2.6
278.09338	0.6
279.10141	8.7
280.10806	1.6
283.09540	0.7
289.08621	0.9
291.10126	14.0
292.10995	2.0
293.08167	1.6
293.11493	0.6
295.09744	0.6
295.13123	0.8
296.10501	1.5
297.11163	0.7
303.10162	0.8
305.11517	0.5
308.10510	2.0
309.11237	0.9
311.12772	33.2
312.12994	1.0
315.10236	0.7
321.11237	1.5
323.12769	26.1
324.12988	0.6
333.11221	0.9
335.12851	2.3
341.13815	1.1
345.11050	0.5
347.12790	0.7
353.13867	0.5
359.12912	0.5
365.14072	0.5
377.01376	0.5
377.13736	0.8
401.13956	1.5
523.15540	0.7
541.16321	0.5
589.41412	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.9
56.05026	1.0
57.03431	0.5
57.07059	0.8
58.06595	1.3
59.05003	0.6
60.08160	17.4
67.05496	3.0
69.07047	2.0
70.03148	0.5
71.07369	7.5
71.59661	0.7
71.60030	0.5
79.05462	1.5
80.73392	0.5
81.07057	2.7
83.08606	0.8
86.09699	51.5
87.95018	0.4
89.06001	1.6
90.38812	0.5
91.05489	2.1
93.07035	2.4
94.07402	0.5
95.04970	1.1
95.08585	1.7
95.09171	0.5
98.98440	3.3
104.10737	100.0
105.07012	5.0
107.08562	1.9
109.06506	1.0
109.10146	1.1
111.08080	0.5
115.02443	0.4
117.06984	0.5
119.08568	1.6
120.96902	0.4
121.06465	0.7
121.10162	0.6
123.08041	1.3
124.99998	28.6
130.07759	0.5
131.08517	0.7
133.08606	1.0
133.10117	0.8
135.08051	1.3
135.11641	0.7
143.01047	0.8
145.10127	0.6
149.09602	0.5
149.13022	0.4
161.13254	0.5
166.07568	0.4
177.11137	0.5
179.14294	0.6
179.39969	0.4
183.11629	0.4
184.07327	92.3
208.16740	0.5
210.75185	0.5
258.10944	1.3
291.19513	0.6
331.26248	0.7
426.57019	0.5
570.35449	6.8
588.36566	28.2
589.36572	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.9
53.00305	0.5
53.03936	1.1
55.05508	1.9
57.07074	26.4
62.98170	0.4
67.05490	2.7
69.07062	100.0
70.04076	3.7
70.07396	2.4
70.07836	6.1
73.02877	0.8
75.12177	0.4
77.03922	0.5
79.05489	6.3
80.05836	0.8
81.07048	0.7
85.06542	0.4
87.04469	1.4
89.06023	8.1
90.06345	0.9
91.05476	2.8
93.07051	0.9
95.04957	3.3
95.08604	1.1
98.21500	1.4
99.00012	1.5
100.99680	1.2
103.02451	1.5
103.03116	0.9
103.05463	3.7
105.07021	99.1
106.07355	15.0
107.07697	1.5
111.04311	0.7
113.01560	1.4
115.01248	0.9
115.07561	16.4
116.07899	0.6
119.08594	0.6
121.03461	1.8
121.06480	1.0
122.03555	0.6
126.99462	4.8
127.03610	0.5
128.99161	4.4
129.01024	8.4
129.06946	0.7
131.00728	7.0
131.06232	0.5
131.08586	1.8
132.08879	0.8
133.08546	2.4
141.01022	11.5
142.01338	0.7
143.00711	9.2
144.07039	0.7
145.06380	0.5
147.05011	1.7
147.08040	1.2
155.02570	4.0
155.06873	0.6
157.02296	3.9
161.09615	1.3
165.06094	1.2
166.09761	0.6
171.06323	0.4
173.09573	0.4
177.11226	1.1
187.03082	0.4
191.07687	1.4
197.07278	24.1
198.07613	1.8
199.06969	21.3
200.07405	0.5
209.13246	1.0
217.09181	1.0
220.02676	0.7
222.02408	0.7
225.06732	1.3
226.13129	0.6
227.06476	1.1
236.90962	0.4
238.03842	1.1
240.03476	0.7
251.14352	1.4
260.02164	1.0
262.01932	0.6
277.21677	0.8
280.02847	0.9
287.14322	0.5
316.08398	0.8
318.08319	1.3
331.17081	0.5
334.09482	2.9
335.10141	0.6
336.09286	2.6
364.16199	0.7
374.22281	0.5
390.15704	0.5
391.16348	0.5
392.15784	0.9
444.09015	0.5
445.08813	1.1
446.08487	42.7
462.10577	0.5
463.10101	1.3
464.09567	56.6
465.09686	0.5
520.15887	5.8
544.16718	0.4
589.32880	8.5
589.41986	0.4
589.82953	4.9
607.11139	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38937	2.7
53.03943	9.2
55.05513	54.6
57.03436	6.8
57.07082	23.9
61.02924	10.4
63.55823	2.5
67.05511	22.1
69.03433	26.2
69.07069	73.3
69.57648	10.1
69.58051	6.3
71.08631	12.4
73.02917	4.9
79.05494	26.0
81.03416	10.3
81.07061	81.4
83.08622	95.2
85.02897	44.4
85.03364	3.5
85.10175	4.8
86.09720	3.9
87.04481	5.9
91.05486	32.5
93.07043	66.6
95.04967	7.7
95.08612	57.1
97.02897	16.7
97.06537	3.5
97.10169	25.8
99.04455	4.8
104.10763	5.7
105.07044	32.3
107.04951	3.5
107.08598	67.1
107.09299	5.1
109.02927	6.7
109.06532	8.4
109.10166	32.0
110.72248	2.6
115.07567	2.8
117.07035	9.6
119.08576	21.0
121.06530	19.2
121.10149	56.9
123.08056	4.8
123.11729	11.8
127.03932	10.4
129.07005	4.5
131.08574	18.3
133.10107	19.6
135.08064	23.7
135.11697	21.0
143.08575	14.1
145.04976	5.4
145.10133	23.9
147.08067	8.7
147.11707	11.5
149.09538	3.1
149.13272	16.9
155.02692	4.2
155.08646	4.1
157.10188	12.4
159.08076	17.2
159.11734	10.9
161.09615	16.6
161.13339	4.8
163.11269	3.2
165.16394	6.3
169.10173	7.1
171.11740	8.0
173.09552	13.1
173.13297	6.8
175.11247	11.8
175.14868	8.5
177.16386	57.6
179.17992	4.4
181.10141	6.0
181.30597	2.8
182.10983	2.8
183.11758	7.7
184.07397	7.0
185.13297	7.2
187.11223	9.5
187.14851	8.9
191.17928	14.1
193.19572	4.6
197.07356	10.4
197.13322	5.3
199.14905	5.7
201.12830	11.6
201.16451	11.7
203.14438	7.8
203.17947	4.2
209.13197	4.7
211.14865	6.8
213.16464	5.5
215.14380	11.8
217.81303	2.6
219.13895	3.0
220.53540	2.5
221.15485	6.4
223.14816	5.4
227.17879	6.2
229.15892	34.3
231.17549	4.1
233.15457	6.7
235.17151	3.4
241.15993	7.8
247.16931	41.2
249.18619	6.0
251.18033	5.7
255.17432	3.7
267.17422	3.1
269.19025	14.7
285.18573	4.5
287.19986	17.0
299.23810	11.2
305.22943	4.3
327.28369	2.9
389.32172	7.2
407.33011	16.0
409.22263	7.6
421.22220	9.4
425.34015	19.9
435.23672	6.3
445.25763	3.3
449.25369	81.3
450.25711	4.2
462.09894	8.9
462.26599	3.4
463.26852	6.1
471.27115	4.6
485.29370	9.6
503.30255	6.6
518.55658	2.9
569.38452	32.8
587.39502	100.0
588.39948	6.0
597.11890	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	587.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98780	3.6
53.03942	6.0
55.05508	41.8
57.03426	3.9
57.07083	19.2
61.02928	7.1
67.05500	25.9
69.03425	20.5
69.07075	44.3
69.41602	38.3
71.08649	6.6
73.02927	6.4
75.40211	3.4
79.05485	23.6
81.03408	6.3
81.07062	68.9
83.08624	77.1
83.50887	4.2
85.02915	42.3
86.09703	5.7
87.04472	7.7
91.05481	26.5
93.07049	70.7
95.04978	6.5
95.08602	59.4
97.02892	14.4
97.10163	21.1
104.10770	5.0
105.07041	33.4
107.08611	59.7
109.06510	7.1
109.10165	30.9
117.07019	9.1
119.08614	19.3
120.75625	3.8
121.06509	15.6
121.10156	49.1
123.11684	10.4
127.03936	7.6
129.07019	5.1
131.08589	17.0
133.06581	4.4
133.10129	19.8
135.08066	18.1
135.11728	24.4
143.08592	9.1
145.04984	6.9
145.10136	14.2
147.08057	6.9
147.11707	8.1
149.09613	5.9
149.13261	10.9
155.08554	7.9
157.10162	8.8
159.08012	11.6
159.11710	11.4
161.09634	15.5
161.13225	5.2
169.10138	8.9
171.11688	12.1
173.09697	9.3
173.13269	10.0
175.14877	13.1
177.16389	51.4
179.17905	9.0
184.07376	7.1
185.13264	6.3
187.11208	14.4
191.17949	9.5
193.19499	5.4
197.13306	8.2
201.12726	7.8
201.16455	8.8
211.14827	9.5
213.16423	5.7
215.14386	7.9
215.17871	4.2
217.15901	3.9
221.15344	9.7
227.34779	4.0
229.15831	27.6
233.15399	5.3
235.16994	5.9
241.15942	7.0
247.16962	31.3
269.18973	7.8
285.18533	4.7
287.19989	10.5
299.23773	8.1
378.57709	4.0
389.32062	9.5
407.33109	17.2
409.22025	7.0
421.22308	6.8
425.34058	15.4
445.25491	5.3
449.25348	70.2
457.46994	4.6
489.28506	5.2
514.63306	5.1
569.38495	21.9
587.39471	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	14.0
57.06834	2.8
57.07076	32.8
58.07397	2.7
60.08163	5.3
61.02916	3.3
64.51376	2.6
67.05499	8.8
69.03427	11.8
69.07066	35.1
69.27010	2.9
69.27343	29.5
71.08620	17.9
73.02923	3.6
73.06564	3.0
79.05495	7.9
81.03410	4.8
81.07071	17.6
81.41342	2.6
83.04620	2.3
83.08615	18.8
85.02906	23.9
85.10181	12.3
86.09714	14.7
87.04462	4.5
87.10027	3.3
89.06030	37.9
90.06354	7.1
91.05485	9.6
93.07043	16.1
95.04938	2.9
95.08596	18.4
97.02888	9.4
97.10184	6.1
103.52362	2.4
105.07032	12.7
107.08573	4.9
109.10162	9.9
117.07004	3.8
117.09099	3.1
119.08596	3.4
120.41428	2.4
121.06510	5.9
121.10122	6.2
123.11703	4.2
125.00023	11.1
127.03930	4.7
128.06352	2.5
129.07037	3.1
131.08591	6.8
133.06500	3.5
133.08614	14.4
133.10118	5.9
135.11696	5.0
141.00977	2.8
143.08548	4.2
145.06477	4.7
145.10101	15.2
147.08061	4.3
147.11743	4.2
155.08545	5.0
155.17868	3.1
157.10158	4.0
159.08080	11.2
159.11740	4.9
161.09650	3.9
169.10101	2.9
171.08046	4.4
171.11656	2.6
173.09673	16.7
175.11200	4.2
177.11292	3.4
177.16481	4.6
183.11804	3.6
184.07339	44.7
185.07721	9.5
187.02179	2.3
187.11197	4.3
187.14720	2.9
197.07225	6.0
197.13342	4.7
201.12764	5.8
203.14207	4.0
207.11568	2.4
211.11304	2.7
215.14275	7.0
241.15842	3.5
249.16429	3.5
267.17468	8.4
271.16968	4.2
285.18466	7.7
299.23773	3.3
313.25195	17.8
407.33008	17.5
419.20538	3.3
425.34003	19.8
433.21918	5.6
447.23889	12.1
449.25275	8.7
462.10034	7.2
475.27359	4.4
569.38409	4.3
587.39410	100.0
588.39832	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	587.394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.4
55.05511	29.2
57.03435	1.5
57.07072	10.6
60.86250	1.2
61.02916	2.1
63.85892	1.0
65.23429	1.1
67.05489	3.6
69.03428	7.9
69.07071	19.4
70.72055	1.0
70.72407	3.3
71.08630	2.1
79.05492	4.4
81.07052	8.7
83.08620	55.3
85.02901	13.1
87.04488	1.5
91.05485	3.8
91.32533	0.9
93.07042	3.9
95.08620	3.1
97.02885	4.6
97.10167	6.1
99.04488	1.4
105.07031	10.9
107.08585	2.8
109.02900	2.5
109.10146	1.8
119.08546	5.1
121.06492	6.3
123.08086	1.2
127.03904	3.8
131.08537	3.1
133.06496	1.5
133.10123	1.8
142.96732	1.1
145.04945	1.7
145.10092	4.6
147.08051	3.7
147.11679	18.1
157.10132	3.0
159.08095	3.1
159.11749	2.5
161.09572	1.7
173.09641	3.1
173.13266	2.0
175.11188	78.7
176.11569	1.5
185.13306	1.6
187.11147	1.2
188.25862	1.2
189.12746	1.4
195.11653	1.1
199.11133	1.6
201.12756	6.7
213.12762	1.4
213.56779	1.1
215.14267	6.1
219.13843	1.8
227.14267	1.9
229.15915	1.2
233.15398	4.3
241.19484	1.6
257.27512	1.0
269.19025	13.8
284.82864	1.3
285.18484	1.1
287.04785	1.1
287.20068	25.4
288.20465	1.3
447.23495	1.2
447.74603	1.0
449.25351	100.0
450.25800	4.1
456.71643	1.2
503.30063	3.6
587.39215	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	587.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
55.01860	1.8
55.05512	10.4
57.03432	4.1
57.07080	13.4
60.91569	1.4
61.02917	4.5
67.05493	7.0
69.03430	13.6
69.07069	14.9
70.78370	4.4
71.08641	10.5
73.02921	1.9
79.05492	6.9
81.03420	6.8
81.07065	14.1
83.08612	10.8
85.02910	29.9
85.10162	5.0
86.06045	1.5
87.04474	5.1
89.06028	6.7
91.03928	1.9
91.05460	7.6
93.07034	7.7
95.04984	2.2
95.08607	8.9
96.11831	1.4
97.02887	13.3
97.06524	2.4
97.10164	5.1
99.04436	2.7
105.07036	33.1
107.08585	6.3
107.83572	1.5
109.02885	3.2
109.10144	6.3
111.11742	2.8
117.07027	2.6
119.08589	5.9
121.06499	4.7
121.10146	4.1
122.06017	4.3
123.08097	1.7
123.11691	2.8
127.03922	4.3
128.06216	1.8
129.06999	4.3
131.08578	5.8
133.08604	1.9
133.10143	3.1
135.11604	2.0
142.07768	3.1
143.08588	8.6
145.04942	4.4
145.06436	1.7
145.10135	8.4
147.08051	5.6
147.11668	2.6
151.71059	1.4
155.08609	9.0
157.10098	8.3
158.08157	3.3
159.08208	1.6
159.11722	5.9
161.09627	1.7
165.07059	2.0
167.08537	3.1
168.09326	4.5
169.10075	6.9
171.11676	6.0
173.09601	3.8
175.11255	3.6
176.09282	1.8
177.11227	1.9
179.08469	2.2
181.10091	5.4
183.11693	17.8
185.13266	4.5
187.11290	2.3
193.10156	4.0
194.10963	1.7
195.11702	5.3
197.09679	2.2
197.13257	8.6
201.12677	3.4
207.11690	3.1
209.13287	11.8
210.72113	1.6
211.11137	4.0
211.14859	10.6
213.12759	1.6
213.16394	3.2
215.14343	2.0
220.02983	1.4
221.13412	4.0
223.14719	9.0
225.12776	5.7
225.16463	4.5
227.14360	2.1
233.13303	1.9
233.15512	1.7
235.14742	4.3
237.16313	2.1
238.03780	1.9
239.14328	3.0
241.15880	3.2
249.16386	6.6
251.14268	2.1
251.17981	3.0
267.17383	7.1
269.19122	2.3
294.09976	2.3
314.27728	7.1
327.26688	3.3
329.28305	2.0
365.28278	4.3
365.32321	2.0
367.30130	2.0
379.33618	3.5
389.32227	6.9
407.33102	100.0
408.33441	2.4
409.34216	3.5
425.34155	43.2
449.25232	2.8
587.39423	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	1.0
53.03944	2.6
53.46982	0.9
55.01864	2.6
55.05510	10.3
57.03429	3.6
57.07074	20.3
57.42889	0.9
59.04974	1.0
61.02923	7.2
67.05502	8.3
69.03424	16.2
69.07065	21.8
69.90425	2.5
69.90844	2.3
71.01353	0.9
71.05009	1.4
71.08633	16.6
73.02918	3.5
76.59269	0.9
79.05488	5.7
79.05888	1.2
81.03415	4.9
81.07052	12.1
83.08620	8.5
85.02905	26.2
85.10183	14.7
85.65333	0.9
86.09718	1.4
87.04469	4.0
91.03937	1.7
91.05477	9.0
93.07044	12.8
95.04980	1.8
95.08607	14.3
97.02883	13.2
97.10168	6.7
98.21419	1.1
99.04444	2.5
101.02402	1.4
105.07025	12.7
107.04995	0.9
107.08576	5.5
109.02879	4.6
109.10164	10.4
111.11726	2.9
112.50539	0.9
117.06995	4.6
119.04958	3.0
119.08591	6.4
121.06493	5.6
121.10149	2.6
123.08118	1.5
123.11690	5.5
125.00036	1.3
127.03916	5.5
128.06258	1.5
129.07007	3.6
130.07790	1.8
131.08585	8.7
133.06500	3.2
133.10127	4.4
135.08086	1.3
135.11697	1.4
137.13245	2.7
141.07054	1.1
142.07703	1.1
143.08551	6.2
145.04990	3.6
145.06535	4.4
145.10130	18.9
147.08025	6.3
147.11668	5.0
155.08580	3.8
157.06537	1.8
157.10162	4.6
159.08058	15.6
159.11636	4.1
161.09618	4.6
167.08580	1.5
168.09428	1.1
169.10155	4.0
171.08089	3.2
171.11696	3.0
172.08859	2.8
173.09619	23.4
173.13336	3.6
175.11179	5.0
175.14830	1.3
177.16222	1.0
179.17921	1.0
181.10242	2.1
183.08211	1.3
183.11662	4.6
184.07346	5.7
185.09589	3.4
185.13283	3.0
187.11215	4.6
187.14873	1.4
189.12733	2.5
191.10681	1.1
193.10167	3.0
193.19530	1.0
194.11034	1.1
195.11725	1.6
197.09660	1.8
197.13290	3.1
199.11168	4.1
199.14992	2.0
201.12727	8.7
201.14200	0.8
201.16496	1.2
205.10260	1.3
205.12607	1.1
207.11725	2.4
207.13702	1.1
207.21155	1.2
209.09776	1.7
209.13286	2.9
211.11139	4.0
211.14871	1.5
213.12708	4.1
215.14302	7.0
219.13846	1.4
223.11319	1.2
223.14868	1.8
225.12813	3.5
225.16420	1.6
227.14342	3.3
229.15892	2.8
231.13753	1.2
233.13266	1.3
233.15421	1.2
235.14915	1.0
239.14322	3.3
239.17915	2.4
241.15858	1.9
243.17436	1.7
245.15393	2.0
249.16447	4.9
251.14378	3.1
251.23616	0.9
253.15880	7.8
255.17445	1.3
257.15396	1.9
267.17468	11.9
269.15439	4.0
269.18900	1.4
271.16882	6.1
283.17130	1.3
284.17706	1.2
285.18506	11.3
285.25851	3.3
287.20117	1.6
295.20642	1.3
299.20178	1.5
299.23672	2.4
301.21497	1.2
309.22189	1.4
313.21756	2.4
313.25211	43.1
315.23267	1.4
327.23303	1.7
339.26730	1.1
341.24780	1.0
381.19385	1.1
389.31955	2.8
393.18924	1.3
407.20807	3.2
407.33084	24.7
408.34018	1.1
419.20551	2.5
425.34131	34.8
433.22357	6.6
435.23825	1.0
446.23233	2.1
447.23788	16.7
449.25272	1.6
461.25266	1.3
463.27145	1.4
475.27017	3.0
477.28479	4.6
489.28165	4.6
491.29849	1.8
503.30011	4.6
517.31891	1.0
569.37689	0.9
587.39410	100.0
588.39886	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	587.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.5
53.03937	1.2
61.42910	0.4
61.89432	0.4
67.17193	0.4
71.21303	0.6
79.05485	1.7
85.02917	1.1
94.91414	0.4
95.04990	2.5
96.61324	0.4
105.04484	0.5
107.04953	100.0
108.05295	1.4
110.63164	0.4
127.28440	0.5
143.01935	0.8
143.03105	1.0
157.04713	7.4
161.03020	0.6
177.63617	0.4
185.04182	3.7
203.05266	41.9
257.09991	1.0
319.09985	77.4
320.10309	1.8
347.09439	0.5
363.14130	1.0
425.14191	1.0
462.68951	0.5
481.15402	6.2
587.19458	64.7
588.19629	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.5
53.03938	1.2
55.01852	0.4
57.03429	1.0
60.04504	0.4
61.02907	1.4
69.03420	3.1
70.06596	3.7
71.60095	0.4
72.08147	1.0
73.02879	0.8
79.05492	1.8
81.03410	1.7
83.06089	0.6
84.04491	1.2
84.08132	1.3
85.02895	11.5
86.06043	0.8
86.09702	1.5
87.04468	0.7
91.03965	0.6
95.04958	2.0
97.02895	3.7
98.97598	0.6
99.04414	0.6
101.07148	0.5
105.04575	0.5
107.04945	100.0
108.05257	1.0
108.98184	0.4
109.02865	1.3
110.07154	0.6
115.26578	0.5
120.08087	0.4
127.03928	3.2
129.03130	1.0
129.10229	1.0
137.05992	0.5
145.05013	1.1
147.04385	0.6
152.07059	0.6
157.04726	5.8
177.05446	0.6
185.04230	1.0
189.05414	0.5
203.05261	6.5
221.05147	0.6
234.08989	0.5
237.02838	1.5
277.13025	0.7
347.09451	93.4
348.09882	0.9
365.10513	1.3
423.09793	0.8
453.13437	1.3
455.73096	0.5
458.24872	0.5
471.14597	5.1
481.15189	7.9
525.19739	0.7
564.25067	0.5
587.19348	43.7
588.19415	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
61.47266	0.6
62.22071	0.6
67.05486	1.6
69.03420	0.8
69.07061	1.2
69.92923	2.6
69.93332	1.5
70.06550	1.1
75.23445	0.8
79.05483	1.4
81.03413	0.9
81.07013	1.0
85.02903	1.2
92.80249	0.8
93.05771	0.7
93.07020	2.4
94.06554	2.9
94.78970	0.7
95.04961	0.7
95.07321	0.8
96.08128	2.0
98.03558	0.8
98.21517	0.9
105.06992	1.0
106.06571	1.3
107.04942	2.6
108.04380	0.8
108.08111	9.7
110.09686	4.2
110.10337	1.0
120.04441	1.0
120.08115	4.3
121.06533	0.8
122.06044	1.6
124.07612	3.3
124.08687	2.1
129.06926	0.7
136.07564	9.8
138.09135	6.7
146.09647	0.7
148.07539	2.5
148.08673	0.8
148.47206	0.7
152.07019	2.0
164.06984	0.9
166.08624	7.9
169.50249	0.6
174.09172	3.2
175.08701	1.1
182.08476	0.8
182.73076	0.6
183.32965	0.6
184.10896	3.7
185.11075	1.0
189.44081	0.8
196.30104	0.7
197.07117	1.3
197.10760	1.9
201.06445	0.7
202.07362	2.0
203.08176	5.2
204.10162	3.5
211.08737	1.4
213.10194	4.7
215.11794	1.2
218.82852	0.7
223.08714	1.5
224.09457	2.0
225.10214	10.1
226.10973	3.5
227.08105	0.9
227.11789	2.2
237.10216	7.0
238.11021	5.0
239.08122	6.7
239.11819	3.0
240.08974	1.6
241.09695	27.4
242.10451	1.3
243.11256	1.6
249.10251	1.3
251.08061	7.5
252.08955	2.1
253.09700	36.6
254.10361	4.7
255.11223	6.3
257.09219	1.8
265.06778	1.0
265.07281	0.5
265.09695	29.1
266.10458	21.1
267.11261	34.2
268.11969	4.6
269.09174	3.9
269.11902	0.8
277.09671	1.3
278.10431	2.0
279.11423	0.8
281.09283	4.0
282.10022	3.2
283.10809	6.2
293.09171	18.2
293.12366	1.4
294.09851	1.9
295.10745	17.7
296.11499	1.2
299.10138	1.4
301.11966	0.9
311.10196	9.1
312.11035	4.2
313.11688	5.7
316.10953	0.8
330.12308	1.4
331.13272	1.0
332.13898	1.1
343.13486	2.0
344.13895	2.2
345.14645	1.1
346.15439	2.8
348.17325	1.5
356.13931	1.3
358.15521	4.3
360.13260	2.3
360.17148	2.4
372.13263	1.4
372.17221	1.4
373.13950	1.0
374.14966	4.1
376.16562	6.6
378.18057	10.4
385.14413	0.8
386.14865	4.1
388.16449	7.1
389.17389	1.6
391.18942	1.3
400.16455	3.9
401.17352	2.2
402.13873	1.5
402.18213	2.2
404.16025	16.0
406.17587	41.8
414.14383	0.8
416.16150	1.4
417.16855	0.9
418.17465	5.3
419.18491	3.5
420.19189	4.4
422.17258	2.3
428.15927	1.6
430.17554	2.8
434.17004	4.2
435.17630	3.6
436.18683	1.8
446.17126	8.7
447.17911	20.4
448.18655	100.0
449.19022	1.9
464.18152	56.5
465.18900	23.0
466.19757	24.0
523.23547	1.3
541.24261	1.7
551.22736	2.9
569.23822	11.1
587.24347	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	586.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92966	3.3
70.06582	8.6
71.57854	6.2
84.08150	4.8
85.02950	3.9
88.07606	6.9
90.05108	3.9
90.05566	34.8
103.56320	3.9
107.04864	4.7
116.03452	8.7
124.07620	4.2
132.62329	3.4
146.05992	13.7
150.01697	4.0
184.09726	8.3
188.07101	14.4
202.10747	11.5
220.11815	100.0
495.93188	3.9
497.55023	4.0
571.23206	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	586.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.0
57.07077	29.1
58.71751	1.0
59.00740	1.2
60.08151	6.0
62.83726	1.4
66.31135	1.5
67.05511	2.4
68.11840	1.4
69.07066	21.5
69.88133	4.6
69.88544	2.9
70.04070	2.7
71.07352	2.8
71.08632	17.6
73.06561	5.0
74.60772	1.2
81.07069	3.5
83.08635	1.5
85.10190	13.6
85.81620	1.1
86.09216	2.3
86.09708	30.9
87.04469	4.4
89.06034	67.2
93.07008	1.6
97.10174	3.5
98.98466	3.3
99.11723	2.8
104.10745	5.7
107.07076	2.5
107.08582	1.5
115.07571	4.1
117.09128	4.1
124.99990	22.1
126.99413	2.5
129.01050	3.3
133.08606	25.5
141.01036	4.0
155.02507	2.1
155.17996	2.1
170.39647	1.6
176.12979	1.3
177.11223	10.5
184.07335	100.0
185.07671	1.5
197.07275	8.5
199.20618	2.9
228.78639	1.5
243.23203	4.3
250.83284	1.2
287.25714	3.4
313.27457	1.7
334.09314	1.7
349.25336	1.4
361.38809	1.5
388.62177	1.2
390.15720	1.6
444.08801	2.2
462.09723	17.2
518.23083	1.4
568.37274	1.6
586.38885	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1007
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49155	0.4
64.24931	0.4
69.03421	0.7
69.26438	0.6
69.26843	4.6
70.06576	0.5
71.34827	0.5
81.03415	0.7
81.07063	0.6
85.02903	0.6
107.04955	1.3
110.12622	0.5
120.08047	0.4
123.60653	0.4
126.85972	0.5
127.00094	0.5
127.03882	0.5
159.26541	0.5
167.03236	0.8
185.04198	1.0
227.05202	2.6
271.04233	8.7
317.06656	1.6
332.03848	0.9
338.03940	11.0
339.04715	24.1
375.05582	9.6
393.06558	4.2
398.06631	0.8
409.86938	0.5
411.05222	0.5
417.06738	1.5
431.08484	0.5
441.06778	1.2
446.06027	0.5
453.06485	0.9
465.06573	0.5
501.09717	8.9
516.62024	0.6
543.11011	23.0
569.08728	0.8
587.10034	100.0
587.29718	7.6
588.10474	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.8
55.01666	0.6
55.01870	7.0
55.05507	19.4
57.03424	2.5
57.07056	1.1
59.04979	1.1
61.02903	2.1
67.05499	28.6
68.05817	0.6
69.03425	5.2
69.07063	17.9
70.06573	0.9
71.04968	2.3
71.60191	1.1
73.02926	0.9
79.05484	26.1
81.03408	5.8
81.07049	38.0
82.07369	0.8
83.04973	4.3
83.08612	10.5
85.02895	11.3
85.03414	0.8
85.06513	1.4
86.09699	0.9
87.04463	1.2
87.79082	0.6
91.05476	26.3
93.06467	1.4
93.07036	24.2
93.07621	1.5
95.04966	7.9
95.08597	24.6
97.02874	3.9
97.06518	9.4
97.10162	6.6
99.04439	1.5
99.08043	1.0
103.05435	1.4
105.04507	0.6
105.07020	29.4
107.04945	5.7
107.08581	16.1
109.02860	1.3
109.06516	8.2
109.10137	11.9
110.10509	0.8
110.89938	0.6
111.08068	3.1
115.05435	1.1
117.06213	0.8
117.07003	10.8
119.08571	23.9
121.02884	1.7
121.06510	4.3
121.10139	10.4
123.08054	2.8
123.11690	3.6
125.09630	4.4
127.03895	1.8
128.06203	2.7
129.06987	5.7
131.08556	15.0
133.06474	2.4
133.10121	17.7
135.08052	3.5
135.11687	6.1
137.02316	3.5
137.09599	2.2
139.11154	1.1
141.06949	3.5
142.07718	1.9
143.08556	7.7
145.06511	1.7
145.10100	14.3
145.11256	0.7
147.08005	1.8
147.11676	10.4
148.08670	1.9
149.02330	4.3
149.09595	6.3
149.13231	2.8
151.07527	0.8
151.11194	1.9
153.06966	1.1
153.09032	1.0
155.08524	4.7
157.10091	6.6
159.08032	2.5
159.11674	10.4
161.05937	0.6
161.09575	2.4
161.13232	4.2
163.11160	3.7
163.36670	0.6
165.06898	0.6
165.12712	1.5
166.09763	2.9
167.08574	1.9
168.09404	0.7
169.06503	2.2
169.10100	4.2
171.08122	0.7
171.11664	6.1
173.09610	1.5
173.13239	4.4
173.83478	0.8
175.11192	1.3
175.14801	1.1
177.12709	1.8
179.08495	0.9
181.10081	1.8
183.11662	4.7
184.10730	1.4
185.09601	1.3
185.13232	3.5
187.07486	2.1
187.11198	1.8
187.14803	1.9
189.11162	3.1
189.12697	1.4
193.10237	1.3
193.12183	1.4
195.11688	2.2
195.13818	1.0
197.05971	2.9
197.13170	4.0
199.11281	1.0
199.14769	2.3
201.12773	1.3
201.16339	1.1
203.14476	0.7
207.11635	1.3
209.13226	2.2
211.11348	0.9
211.14874	1.9
213.16313	1.2
215.07039	1.0
215.14314	1.3
215.17944	1.0
217.15945	0.9
221.13260	1.1
223.13020	0.7
223.14902	1.2
225.05487	2.0
227.17850	0.8
229.19469	1.8
235.14806	1.3
235.16907	1.4
237.16420	1.2
239.17949	2.7
240.08066	0.6
243.06517	2.0
243.17703	0.7
247.20554	1.8
249.18491	1.3
255.17464	1.2
257.18964	4.1
263.20169	0.7
271.06058	1.2
273.18564	3.0
275.20044	47.3
277.21561	2.4
285.18420	0.9
286.04633	2.3
287.20120	0.9
289.21619	1.6
291.19522	2.8
293.21173	6.1
295.20642	0.8
299.05490	19.8
299.19928	1.0
300.05859	1.7
301.21698	1.3
303.23114	0.7
303.69415	0.7
311.19870	1.0
313.21518	0.9
314.04190	3.6
315.23193	1.0
317.24741	0.7
329.06519	100.0
330.06885	10.7
331.22662	0.9
337.21643	0.8
365.24557	1.0
367.26263	0.9
381.27689	1.2
395.29297	1.0
397.31259	1.3
399.28943	0.7
413.30396	0.8
419.29568	0.7
421.31073	0.9
423.10703	14.8
423.28387	0.8
424.10779	2.0
424.16159	1.3
433.31967	0.8
435.32587	0.9
443.31448	1.0
445.32886	0.9
451.31665	0.7
453.33841	0.9
455.31363	2.0
457.33142	2.8
461.31680	0.7
462.20023	0.8
469.32825	1.3
471.34711	1.0
473.32587	2.0
485.31665	0.8
487.33484	1.5
513.36853	1.1
531.38501	3.3
539.40894	1.2
549.39368	7.3
553.19067	1.0
567.40289	11.9
585.28424	5.2
585.41443	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	3.0
53.03942	10.0
53.92664	2.3
54.60053	2.4
55.01871	32.4
55.05509	96.9
57.03429	5.0
57.07058	7.0
59.04996	8.1
67.05500	100.0
68.21963	2.8
69.03419	10.9
69.07062	71.4
69.71886	10.5
69.72314	8.1
70.04070	3.8
71.04993	6.0
79.05490	92.8
81.03423	10.2
81.07053	99.3
83.04994	13.7
83.08614	57.4
85.06534	6.7
87.04474	3.4
89.06033	4.9
91.05478	86.9
93.07036	81.2
95.04949	16.9
95.08605	72.3
97.06514	33.8
97.10159	60.9
99.08118	2.9
103.05481	3.3
105.07025	76.1
107.04940	15.4
107.08586	75.7
108.08125	4.0
109.06506	12.2
109.10151	34.5
111.08084	9.3
115.05412	4.9
117.07001	33.4
119.04910	3.1
119.08579	72.8
121.06505	13.1
121.10143	31.9
123.08054	10.0
123.11705	11.1
125.09628	47.3
128.06227	8.5
129.07010	30.9
131.08548	47.4
133.06500	5.5
133.10123	55.2
135.08064	11.0
135.11671	16.7
137.09631	8.2
141.07008	10.9
142.07779	9.1
143.08553	31.7
145.06479	7.0
145.10112	46.7
147.08018	7.4
147.11687	27.2
149.09605	18.7
149.13283	9.6
151.11151	3.8
153.06853	3.4
153.09152	4.9
155.08537	19.8
156.09285	4.2
157.10110	31.8
158.97639	3.5
159.08054	5.9
159.11671	33.8
161.09587	5.8
161.13255	15.0
163.11200	10.1
167.08548	8.2
168.09285	3.2
169.10149	21.8
171.08119	4.1
171.10345	4.9
171.11655	22.3
173.11827	5.0
173.13188	18.4
175.11191	6.1
175.14867	5.4
177.11151	2.6
177.12671	4.0
179.08551	3.7
179.14449	4.2
181.10127	10.2
182.10982	3.6
183.11691	20.4
185.09666	4.8
185.13251	15.8
187.11218	9.9
187.14830	12.3
188.11971	2.7
189.11229	32.5
189.12744	5.1
189.16385	4.1
191.14403	2.8
192.74022	3.1
193.10103	3.5
195.11719	11.6
197.09526	3.4
197.13136	17.5
198.19914	2.7
199.14854	7.3
201.12733	6.8
203.14352	3.1
207.11739	4.9
209.13219	9.9
211.14900	12.2
213.12926	4.1
213.16414	12.2
221.13393	4.1
223.14934	7.8
223.21469	2.8
225.16530	4.5
227.14284	4.2
227.17876	4.0
229.19473	3.5
233.15140	3.8
237.16411	7.6
239.17944	6.3
241.19601	4.9
243.17336	3.0
251.17986	3.1
257.19043	12.4
263.20157	4.9
273.18472	9.2
275.20065	96.8
277.21671	8.0
285.18607	3.2
285.22067	6.6
287.20059	8.2
289.21567	4.5
291.19507	14.4
293.21088	15.5
297.22119	3.0
301.21771	5.2
301.25061	3.3
315.19528	3.3
317.21075	3.7
327.23108	4.1
341.25107	3.6
343.22568	3.7
363.26749	5.1
381.27808	13.4
383.29733	4.0
386.26334	3.0
395.29544	3.8
397.30887	6.8
399.28979	28.9
419.29465	4.9
437.30280	4.5
438.67593	2.7
439.32419	4.3
441.29761	4.5
455.31381	8.1
457.33258	4.0
473.32608	13.1
487.34235	5.4
513.36993	3.8
531.38110	11.3
549.39215	21.1
567.40424	50.7
585.31818	3.9
585.41492	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	585.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.9
54.60174	1.2
55.01865	2.1
55.05512	33.1
57.03427	3.6
57.07072	9.5
61.02921	3.7
61.38730	1.1
67.05508	6.8
69.03432	16.9
69.07071	28.2
71.04979	1.5
71.08627	4.4
71.59164	1.9
73.02897	2.5
79.05498	5.5
81.03407	6.6
81.07060	19.5
83.08620	65.6
85.02902	31.6
85.10172	1.6
87.04472	2.7
91.05477	4.1
93.07039	7.4
95.08613	9.4
97.02905	10.5
97.06518	3.7
97.10170	10.3
105.07042	4.0
107.04964	2.1
107.08605	7.1
109.02882	3.3
109.06504	1.5
109.10157	5.6
111.08092	1.8
117.06994	2.2
119.08574	5.7
121.10151	2.5
123.23096	1.2
127.03935	8.1
128.06216	1.2
129.07005	1.8
131.08586	4.2
133.10214	2.8
135.08069	2.4
135.11694	1.4
137.13243	1.9
139.14844	1.9
141.06984	1.6
142.02702	1.8
142.07751	1.5
143.08549	7.5
145.04961	3.8
145.06149	1.2
145.10132	4.8
147.11687	3.6
149.06015	1.8
155.08534	4.8
157.10100	7.5
159.08084	2.1
159.11705	5.1
167.08574	2.2
168.09418	1.7
169.10101	7.6
171.11670	4.2
173.09671	2.1
173.13242	2.3
175.14853	2.1
179.08560	1.9
181.10152	4.1
182.10944	2.2
183.11644	9.3
185.09616	1.6
185.13280	1.6
187.11160	3.1
193.10046	2.5
193.15836	1.5
194.10840	1.4
195.03632	1.2
195.11700	4.2
197.09494	1.6
197.13287	3.9
199.14786	2.6
201.12943	1.9
207.11737	4.3
209.13312	4.2
211.11296	1.7
211.14845	5.6
213.12756	2.4
213.16426	1.9
215.14488	1.8
219.11633	2.1
221.13295	3.8
223.11241	2.2
223.14815	6.2
225.12851	3.3
225.16286	2.8
227.14388	2.6
233.13274	2.1
237.12770	1.4
237.16312	3.2
239.14352	3.0
239.18155	2.0
247.14751	3.2
249.16499	7.1
251.14261	4.7
251.18051	2.4
257.15244	1.3
263.17929	2.6
265.15878	7.0
266.16626	4.0
267.17410	16.0
279.21082	1.3
285.18625	1.7
307.20978	1.5
321.22137	3.6
325.25174	2.9
337.27393	3.9
338.27652	9.2
341.10217	1.7
363.26642	2.7
363.30606	2.2
365.28369	1.9
387.30621	1.6
405.31519	100.0
406.31808	4.2
407.33148	4.1
423.32605	47.1
447.23636	1.3
510.37415	1.5
585.37860	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.9
53.86895	1.6
55.05514	19.1
57.03435	4.2
57.07079	16.6
61.02915	5.2
65.39663	1.6
67.05503	12.5
69.03426	19.8
69.07066	20.9
70.04074	16.1
70.49891	6.9
71.04993	3.2
71.08620	5.1
72.58146	1.8
73.02911	2.6
73.59917	1.6
79.05495	9.9
81.03405	6.3
81.07052	15.5
83.08620	25.7
85.02906	31.3
85.10178	2.4
87.04453	3.9
91.05465	14.1
93.07037	24.6
95.04958	3.6
95.08614	16.5
97.02892	12.3
97.10177	4.7
98.20836	2.3
99.04456	2.9
101.02384	2.3
105.07027	10.5
107.04942	2.2
107.08589	29.0
109.02860	5.0
109.10136	6.9
109.13306	1.7
109.33673	1.6
110.03504	12.3
111.08089	2.0
111.89520	1.6
116.66383	2.0
117.07024	3.0
119.04935	3.7
119.08578	5.7
121.06510	6.3
121.10155	19.2
123.11711	2.9
125.05895	2.0
126.67054	1.5
127.03910	6.2
128.06284	1.9
129.07025	4.1
130.07649	2.1
131.08577	8.3
133.06488	5.6
133.10121	7.5
135.08078	5.1
135.11684	7.6
137.13257	4.7
141.07014	2.9
142.07835	2.2
143.08583	9.2
145.04991	2.2
145.06488	2.1
145.10159	10.6
147.08009	8.3
147.11752	2.9
148.80373	2.1
155.08543	3.5
157.06522	4.9
157.10091	9.8
159.08110	9.4
159.11731	4.6
161.09604	2.7
167.08620	2.6
169.10153	3.4
171.08112	5.8
171.11717	6.9
173.09644	13.2
173.13322	2.6
175.11220	3.4
177.16331	5.7
179.08498	2.4
181.10114	3.3
183.08093	2.4
183.11719	6.3
185.09605	6.8
185.13263	8.0
191.17981	8.2
195.11737	5.1
197.09657	2.9
197.13290	4.3
199.11134	8.3
199.14844	5.2
201.12779	14.0
205.19601	2.5
207.11737	2.5
209.09573	3.4
209.13307	3.3
213.12675	10.6
215.14378	4.8
219.11852	2.4
219.13821	4.4
227.14276	12.9
237.16405	3.3
241.15991	4.3
245.15469	1.9
246.45584	1.8
247.14886	3.4
247.17168	2.2
249.37326	1.7
265.15817	9.3
267.17462	3.8
269.15460	4.6
275.97537	4.4
283.17014	9.0
285.18420	10.5
297.22122	5.8
303.20877	3.8
304.97723	5.5
307.20602	2.8
311.20328	2.2
311.23511	15.8
313.27411	2.6
321.22104	3.2
339.23215	4.2
361.03897	8.3
387.30505	7.1
405.31604	12.5
407.20444	4.6
423.32617	14.7
445.22192	12.6
446.22989	5.4
447.23810	23.4
459.24127	2.8
473.25681	3.6
475.26804	3.4
487.26718	10.8
501.28418	15.1
515.30304	4.2
567.36652	5.6
585.37836	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39590	1.3
53.03942	3.4
55.01853	1.6
55.05503	9.6
56.96539	1.6
57.03433	2.3
57.07072	9.6
61.02921	3.1
63.90125	1.5
67.05502	25.1
69.03442	9.1
69.07060	12.2
70.06620	1.6
71.04963	1.7
71.08636	3.6
71.59611	2.0
73.02913	2.2
79.05489	12.1
81.03419	4.1
81.07056	49.6
83.04948	1.7
83.08629	2.9
84.08147	2.3
85.02905	19.9
87.04465	3.5
89.89979	1.5
91.05489	10.2
93.07040	19.6
95.04969	3.2
95.08605	100.0
97.02909	7.2
97.10161	5.9
99.04450	2.2
100.25392	1.4
105.07028	12.7
107.04966	2.2
107.08600	26.5
109.02852	2.1
109.06519	2.8
109.10172	12.9
117.07025	1.8
119.04924	1.8
119.08594	7.7
121.06499	10.3
121.10136	17.7
123.11729	4.3
127.03933	3.8
129.07011	2.5
131.08583	4.5
133.06487	2.4
133.10132	4.2
135.08051	13.0
135.11687	7.7
137.13260	49.3
141.06966	1.8
143.08606	3.4
145.06517	2.1
145.10114	7.6
147.08070	6.9
147.11693	13.7
149.13249	3.0
155.08556	2.4
157.10114	5.0
159.08017	8.8
159.11668	3.7
161.09625	3.7
163.14790	1.6
169.10194	2.4
171.11717	3.5
173.09656	6.8
173.13242	2.7
175.11186	51.0
175.12738	2.6
175.14735	1.6
177.16394	19.0
181.10170	1.8
183.11685	2.3
184.07381	2.3
185.09621	1.8
185.13275	4.8
187.11186	1.7
191.17944	5.3
195.11655	1.8
197.13251	2.7
199.11139	2.0
199.14911	2.2
201.12773	23.0
201.16313	2.1
205.19513	3.4
209.13225	1.7
211.14850	1.6
215.14262	10.3
219.13829	6.8
227.14334	8.0
229.15906	11.5
233.15416	5.9
237.16457	2.3
245.15184	2.6
247.17004	11.0
267.17343	2.5
269.19040	9.5
285.18463	1.8
287.20044	20.0
321.22290	2.1
331.13342	2.7
387.30411	3.4
400.17624	1.5
405.31430	5.1
407.20676	1.7
409.22327	2.2
423.32449	1.8
447.23807	2.0
449.25360	68.3
475.27075	2.4
485.28717	1.8
487.05371	1.8
489.28555	5.5
501.28308	7.2
515.29962	3.8
567.36566	4.4
585.37848	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	585.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.1
55.05505	1.3
56.96566	5.8
57.03429	1.2
61.02912	2.7
67.05195	0.8
67.05504	7.9
69.03415	1.9
69.07056	2.4
70.06589	1.6
71.04974	1.1
71.21060	1.6
72.08112	1.1
73.02910	2.2
79.05482	2.5
81.03407	2.9
81.07047	5.9
83.08582	1.2
84.08158	1.1
85.02895	3.7
86.09698	1.2
91.03953	1.3
91.05467	3.2
93.07037	1.8
95.04955	1.5
95.08579	2.5
97.02872	2.9
98.97576	2.0
105.06997	1.9
107.04967	6.6
107.08575	1.4
107.11108	0.7
109.02855	1.0
109.10164	6.6
110.09609	0.9
116.98604	3.3
119.08584	1.8
121.06514	1.1
123.08073	1.0
127.03922	1.7
131.00143	3.1
133.10086	1.0
146.99641	1.1
147.11693	1.1
149.01227	8.5
158.99577	1.3
161.01164	1.0
167.02249	2.6
173.11662	2.4
177.00694	1.3
191.02275	2.0
199.06429	0.9
203.02324	1.0
217.07414	1.1
224.10532	1.0
229.14397	1.1
241.13303	2.4
255.08900	1.1
269.07870	1.1
269.10446	6.1
287.11594	2.5
293.05365	5.2
309.12366	0.8
311.06488	2.7
311.11548	1.8
331.15753	1.6
338.12527	2.2
349.17032	6.0
367.17987	2.9
413.17831	5.9
486.88062	0.9
487.18250	2.3
585.27100	100.0
586.26556	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2669
Annotation	kirkinine D
Peak:m/z	Relative Intensity
55.01854	1.1
55.05505	1.3
56.96566	5.8
57.03429	1.2
61.02912	2.7
67.05195	0.8
67.05504	7.9
69.03415	1.9
69.07056	2.4
70.06589	1.6
71.04974	1.1
71.21060	1.6
72.08112	1.1
73.02910	2.2
79.05482	2.5
81.03407	2.9
81.07047	5.9
83.08582	1.2
84.08158	1.1
85.02895	3.7
86.09698	1.2
91.03953	1.3
91.05467	3.2
93.07037	1.8
95.04955	1.5
95.08579	2.5
97.02872	2.9
98.97576	2.0
105.06997	1.9
107.04967	6.6
107.08575	1.4
107.11108	0.7
109.02855	1.0
109.10164	6.6
110.09609	0.9
116.98604	3.3
119.08584	1.8
121.06514	1.1
123.08073	1.0
127.03922	1.7
131.00143	3.1
133.10086	1.0
146.99641	1.1
147.11693	1.1
149.01227	8.5
158.99577	1.3
161.01164	1.0
167.02249	2.6
173.11662	2.4
177.00694	1.3
191.02275	2.0
199.06429	0.9
203.02324	1.0
217.07414	1.1
224.10532	1.0
229.14397	1.1
241.13303	2.4
255.08900	1.1
269.07870	1.1
269.10446	6.1
287.11594	2.5
293.05365	5.2
309.12366	0.8
311.06488	2.7
311.11548	1.8
331.15753	1.6
338.12527	2.2
349.17032	6.0
367.17987	2.9
413.17831	5.9
486.88062	0.9
487.18250	2.3
585.27100	100.0
586.26556	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.4
58.06082	0.9
61.01149	5.1
70.06592	7.1
71.03287	1.9
72.04521	6.1
72.08133	1.3
73.02921	0.9
78.03796	10.5
83.04965	1.3
84.04505	1.3
84.08141	1.8
85.02899	7.0
86.06075	1.3
86.09703	3.7
88.02206	3.4
98.02386	1.1
98.06106	1.1
99.04457	3.4
99.05589	1.8
102.03102	1.2
102.03763	19.4
103.02170	2.9
103.03935	10.8
107.04956	1.1
109.02869	2.2
109.08183	0.8
112.65416	0.9
113.06003	1.5
114.03790	1.6
114.05536	1.3
116.07182	0.9
120.04824	3.8
120.08092	0.9
126.05515	13.0
127.03922	4.7
131.06348	9.1
132.04774	10.4
142.08664	3.5
147.05841	0.9
149.07439	38.9
152.07062	1.1
154.08589	1.3
156.06537	1.5
159.05772	1.6
175.05351	2.5
180.06563	11.9
184.09717	2.3
194.86624	0.8
198.07611	2.6
207.73636	0.9
216.08685	2.0
218.41832	0.9
231.11574	2.6
261.12738	3.4
293.11652	100.0
310.27869	1.0
405.16898	27.9
406.17398	1.1
488.33182	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.7
55.01831	0.8
55.05487	0.6
57.03391	1.0
61.02917	1.8
67.05470	0.5
69.03426	4.3
69.62178	0.6
69.62589	1.2
70.06544	0.5
70.15284	0.3
71.04961	0.5
72.08133	0.3
72.13593	0.3
73.02888	0.3
79.05465	0.7
81.03420	2.1
81.07024	0.8
83.01331	0.4
84.08110	0.2
85.02898	10.0
87.04420	0.5
89.05979	0.3
91.03915	0.7
91.05460	0.5
93.03387	0.5
93.06993	0.5
93.73105	0.2
95.04937	0.5
95.08544	0.4
96.08096	0.4
97.02885	3.5
99.04414	0.5
105.07005	0.4
107.04958	3.6
108.08125	0.3
109.02870	1.6
109.10140	0.6
110.09648	0.7
112.04102	0.2
117.07047	0.3
120.08076	0.8
121.02863	1.6
123.04448	0.4
124.07544	0.3
125.09647	0.2
127.03945	2.0
128.06139	0.3
131.08524	0.4
135.04359	1.0
136.07582	0.5
137.02336	11.0
137.03372	0.7
138.09109	0.8
141.06941	0.6
145.04897	1.1
149.02321	2.7
159.08031	0.4
160.03911	0.5
161.02322	0.4
163.03842	0.6
166.08669	1.4
167.03391	0.9
169.06430	0.9
169.13921	0.3
179.03397	3.1
180.40694	0.3
185.05966	0.6
187.07541	0.9
197.04381	1.2
197.05998	2.0
199.07541	0.4
207.02832	0.4
212.04692	0.3
215.06999	0.7
225.05397	1.1
227.06998	1.1
228.84407	0.3
241.04988	0.4
243.06633	1.2
245.08115	0.4
253.04924	0.8
253.08832	0.3
255.06511	0.6
271.06012	1.3
273.07629	1.1
279.11319	0.6
286.04672	0.8
297.12253	0.5
299.05469	9.9
301.07031	1.1
302.04178	0.7
309.12234	0.7
314.04205	0.7
317.06494	4.8
322.11942	0.3
329.06528	65.1
330.06787	0.8
359.07541	0.3
388.17557	0.6
391.07938	0.9
407.07471	0.7
420.20218	0.9
423.10715	100.0
424.10812	1.3
462.20081	1.2
539.29028	0.3
567.29724	0.7
585.28827	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	584.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.7
53.03949	0.9
57.07072	0.7
60.05091	0.4
65.03947	0.3
65.27281	0.3
69.33233	3.8
73.06559	0.4
77.03905	0.8
79.05481	4.7
87.04468	4.6
89.06024	30.8
91.05470	4.1
93.07053	2.7
95.04955	2.6
103.05459	4.6
105.07023	100.0
106.07343	0.8
107.04964	0.6
107.07051	0.9
117.07026	0.6
119.04945	1.0
119.08555	2.4
121.06496	19.8
126.21236	0.4
129.06958	1.7
130.08670	0.5
131.07077	0.8
131.08543	2.8
132.10213	0.4
133.08594	21.9
135.08046	0.4
145.06482	0.6
147.08035	12.7
149.09619	2.5
165.09103	5.7
173.09744	0.4
175.09660	0.8
177.11209	8.1
177.12662	0.6
181.10182	0.4
191.10663	0.6
193.12201	0.4
197.69649	0.4
209.11635	2.1
209.13406	0.4
221.13728	1.0
223.11180	1.7
225.12720	6.2
227.12701	0.6
235.12994	0.5
236.12009	0.4
249.12737	0.8
251.14343	1.1
253.14349	0.9
269.15344	4.0
271.15369	2.2
302.59924	0.4
304.11337	0.3
313.18097	0.8
315.18039	1.4
357.20370	0.4
359.20624	15.7
373.21564	1.3
419.24182	0.6
463.26874	9.2
567.33075	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
59.16573	1.3
62.12000	1.1
70.06575	1.5
71.57926	2.0
103.05483	6.2
105.24479	1.1
105.98450	1.4
107.04938	2.7
120.08109	100.0
131.04929	2.1
138.91669	1.4
152.85272	1.1
153.32881	1.2
166.08640	61.9
207.54564	1.2
221.11684	1.4
226.54424	1.2
325.10168	2.2
422.76865	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.05516	8.2
57.03439	6.6
57.07047	1.4
60.42411	0.6
65.03954	0.7
67.05504	24.4
69.03425	1.2
69.07066	12.3
71.08626	1.0
71.59196	1.2
79.05489	7.3
81.07059	22.4
81.58384	0.7
82.54719	0.8
83.08623	7.2
84.24164	0.7
85.06529	1.4
85.10175	0.8
86.09740	0.7
87.91034	0.7
91.05488	3.6
91.39319	0.7
93.07043	7.0
95.04942	0.8
95.08602	16.6
97.06494	1.8
97.10155	3.1
101.62054	0.8
105.07051	4.1
107.04952	13.7
107.08571	3.6
109.06525	0.8
109.10147	6.2
119.08583	4.3
119.34049	0.7
121.10144	3.0
123.11717	2.3
125.86848	0.7
125.98399	0.7
133.10123	2.8
135.11682	1.4
137.13248	1.4
142.02641	13.4
147.11699	1.3
149.13191	0.8
150.09148	3.3
161.13231	2.1
173.09293	0.7
248.06857	5.4
263.23575	0.9
306.27722	0.8
337.27365	100.0
338.27740	1.1
425.87411	0.9
500.26880	0.9
584.37000	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.01852	1.7
55.05516	4.0
56.05022	3.0
60.04523	2.0
67.05499	5.4
69.03431	5.0
69.07078	1.5
69.19247	1.4
69.26416	8.8
69.26831	5.2
70.06593	36.5
71.04994	2.2
72.08151	11.4
73.02905	1.3
79.05489	13.3
81.03415	3.3
81.07056	8.6
81.12738	1.3
82.06546	1.4
83.04984	2.8
83.06093	2.1
84.04501	7.5
84.08138	15.1
85.02901	12.0
86.09699	15.7
87.05608	1.9
88.03995	2.9
91.05472	6.0
93.07062	2.9
95.01308	1.7
95.04975	6.3
95.08615	2.5
97.02892	3.8
97.06546	4.2
98.06063	2.9
99.04432	7.2
101.07175	1.8
102.05534	3.3
104.10728	3.4
104.72665	1.3
105.07029	8.2
107.04953	27.0
109.06525	3.4
109.10152	26.4
110.07155	7.1
111.04459	4.0
115.08735	1.4
116.07071	2.2
117.06950	1.7
119.04971	1.8
119.08573	11.4
120.08085	7.8
121.06491	2.6
125.00076	1.9
125.06017	2.2
126.05567	1.5
127.03954	1.8
128.06252	3.3
129.07001	3.4
129.10246	7.7
130.05043	4.1
131.04872	1.3
133.10109	9.4
135.07986	1.6
136.07564	2.1
137.09612	48.1
143.07047	1.8
143.07553	1.6
143.08551	11.4
145.05022	3.1
145.06526	1.4
145.10153	2.6
146.07300	2.1
146.16019	1.4
147.08054	17.9
157.13371	1.8
159.08095	1.7
161.09612	100.0
163.11176	2.2
165.09111	83.8
171.08080	1.5
174.06920	1.4
179.10696	6.2
180.71762	1.4
184.07339	10.9
185.12898	1.7
185.17558	1.3
189.09091	12.0
190.96350	1.5
197.11687	3.3
207.10164	99.4
225.11214	94.5
243.12236	6.8
269.10703	3.1
351.14502	2.5
355.65643	1.4
406.53589	1.5
443.19186	9.9
455.53516	1.6
566.19897	2.1
576.42291	1.3
584.32288	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.8
55.05505	14.6
57.07070	9.1
59.04983	2.1
65.03925	4.5
67.05492	23.9
69.03403	6.7
69.07059	19.7
70.20233	8.7
77.03944	2.2
79.05483	23.2
81.07047	28.6
83.04966	6.4
83.08601	8.3
85.06516	5.1
91.05472	36.6
93.07030	53.9
95.04943	14.8
95.08600	32.2
97.06523	6.3
103.05446	5.5
105.07018	65.7
107.08585	49.4
109.06502	6.9
109.10140	19.4
111.08060	2.5
111.11742	2.0
115.05474	5.7
116.06252	2.5
117.07003	13.8
119.08562	74.9
121.06456	4.0
121.10130	49.4
123.08047	17.2
123.11697	5.9
125.06004	2.7
125.09621	3.6
128.06206	10.6
129.07001	15.1
130.07779	11.2
131.08545	28.5
133.06473	3.7
133.10112	35.9
135.08044	9.2
135.11673	15.4
137.09576	10.6
139.11172	4.7
141.06987	6.2
142.07762	23.7
143.08542	32.2
144.09348	6.1
145.06499	2.6
145.10101	46.3
147.08051	7.9
147.11661	15.9
149.09581	11.6
149.13286	2.9
151.07501	10.9
151.11171	1.9
153.07001	5.4
155.08533	17.4
155.10623	2.0
156.09337	16.4
157.10124	44.6
158.10904	5.1
159.08014	5.4
159.11682	24.5
159.77950	1.8
161.09596	5.8
161.13246	6.6
163.11165	5.9
165.07018	8.3
165.09067	12.1
166.07800	3.5
167.08557	11.4
167.10663	28.5
168.09335	6.1
169.10103	27.4
170.10873	8.4
171.11682	32.1
173.09613	4.3
173.13210	23.4
175.11197	2.6
175.14751	11.3
179.08527	12.6
180.09357	6.4
181.10114	15.9
181.11945	3.3
182.10847	9.1
183.11673	24.5
184.12419	5.4
185.13252	15.3
187.14772	5.4
189.12778	5.3
191.14319	5.3
192.09348	4.4
193.10104	11.3
194.10933	10.9
195.11699	25.2
196.12445	7.7
197.13237	17.4
198.14012	2.6
199.14786	13.5
201.12758	2.9
201.16353	3.0
203.14301	7.0
205.10117	3.7
206.10918	8.5
207.11688	17.8
207.13773	6.2
208.12473	7.9
209.13252	23.7
210.14087	3.8
211.11108	2.6
211.14806	14.7
213.12808	2.9
213.16417	4.7
215.14294	5.2
217.10100	2.0
217.15887	6.1
218.10936	2.5
219.11745	5.1
220.12463	5.5
221.13234	14.6
221.15387	23.2
222.14020	4.8
223.14799	15.3
225.12791	3.4
225.16414	6.5
227.14276	3.5
229.15836	3.7
230.10942	3.7
231.11708	5.7
231.17441	2.6
232.12399	2.5
233.13535	9.8
233.15118	10.5
234.13992	2.2
235.14847	12.7
236.15381	2.4
237.16432	8.7
239.17990	4.1
243.11577	2.3
244.12367	2.5
245.13261	5.6
246.14063	4.3
247.14832	8.6
247.16995	2.1
248.15651	2.4
249.16351	7.8
250.17133	3.0
251.17943	4.0
255.17400	2.0
257.19083	5.1
259.14847	7.0
260.15668	2.7
261.16370	6.9
263.17944	3.4
265.19522	4.9
269.18997	4.3
271.14725	2.1
271.20728	2.8
273.16373	5.0
275.17950	8.5
276.18646	3.2
277.19513	2.7
279.17615	3.1
279.21036	3.2
281.18976	3.3
283.20413	10.9
285.18610	2.3
287.20279	3.0
289.19424	4.6
291.20972	2.6
295.20627	2.2
297.21945	2.4
299.17670	2.3
303.21173	2.6
307.20682	2.4
317.22565	2.0
327.21188	2.7
331.24142	4.1
333.22345	2.2
347.24063	2.3
349.25302	5.0
361.25424	2.4
403.29980	6.4
491.35056	5.3
509.34219	3.7
547.39575	3.8
565.40283	21.2
566.39789	1.9
583.41406	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.2
56.05018	0.6
57.07051	0.7
61.01147	0.9
63.04369	0.7
67.05496	0.9
69.45345	0.6
70.61304	2.0
71.06116	7.5
72.04510	3.1
73.02911	1.1
74.00660	1.7
76.02200	1.6
76.03989	1.7
77.00626	9.5
78.03781	3.2
83.06097	1.1
84.04506	5.6
85.02892	0.8
85.04010	4.0
85.06537	1.0
86.00638	1.5
86.06059	2.4
92.01672	2.1
92.98346	3.3
95.04970	1.1
98.06092	0.9
99.05579	2.4
102.03762	3.8
103.02213	0.6
107.04955	20.2
107.06061	1.1
108.04636	0.6
108.05297	2.7
109.07626	3.1
110.00958	2.3
112.03952	1.5
113.03493	2.4
113.05992	0.9
114.03712	0.7
115.08662	0.8
118.03242	23.1
120.04797	2.3
124.07584	1.4
129.06609	1.0
130.03229	8.0
130.04994	7.6
131.02861	0.7
131.04514	12.0
131.06320	3.1
132.04790	2.5
134.00951	1.7
135.05545	0.8
139.03246	1.7
140.01630	0.9
142.08592	4.0
145.06113	1.6
147.05865	45.5
149.07439	19.5
149.08632	1.0
150.00443	1.1
151.98323	0.7
153.06563	3.5
155.04385	0.6
155.08119	4.5
157.87238	0.6
159.02208	2.1
159.05882	1.2
160.00635	1.4
164.01982	1.5
169.06216	1.0
175.05394	0.9
176.01968	1.1
177.03294	19.6
181.04628	6.6
181.06117	3.7
183.11290	1.0
184.09695	2.8
185.03795	13.1
187.05341	0.9
189.09935	0.8
199.07144	3.7
205.04604	3.3
209.00529	4.4
213.12321	1.7
219.01889	0.7
225.26295	0.8
231.04333	30.4
254.06342	3.3
256.09299	1.4
257.07599	1.4
259.11081	1.3
261.12601	0.8
268.07806	2.2
279.03812	0.9
288.06415	5.2
293.09805	3.7
296.07336	1.4
308.07385	2.6
325.09973	100.0
379.10989	6.6
391.10944	0.9
436.13190	9.5
437.15271	9.1
454.14258	21.3
509.17194	2.8
545.11676	1.3
548.18250	1.1
566.19507	8.6
584.20178	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	583.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.7
52.09664	2.5
53.03939	7.8
55.05510	21.3
57.07063	14.5
59.04987	5.2
62.53753	2.3
65.03925	3.1
67.05498	34.7
69.03420	8.5
69.07065	19.5
69.27886	27.1
79.05482	35.7
81.07049	38.6
81.07512	3.1
83.04977	10.0
83.08607	11.1
85.06531	5.5
87.04466	3.1
89.06025	4.4
91.04987	1.8
91.05474	60.2
93.07043	64.0
95.04971	13.2
95.08598	46.1
95.51528	2.4
96.53684	3.0
97.06521	4.1
97.10180	3.8
98.21461	4.4
98.98506	2.4
99.97622	3.0
103.05485	5.2
105.07024	100.0
107.05007	3.1
107.08586	48.3
109.06524	10.6
109.10157	24.4
111.08072	2.8
115.05427	5.7
117.07009	17.4
119.08576	96.7
121.06523	10.2
121.10133	52.4
123.08060	17.0
123.11713	7.0
125.06010	5.0
125.09643	3.0
128.06197	14.1
129.06978	17.8
130.07800	8.5
130.63660	2.4
130.78000	2.2
131.08549	35.1
133.06480	5.8
133.10118	44.7
135.08058	11.4
135.11679	14.9
137.09631	10.7
141.06987	8.1
142.07799	26.2
143.08554	47.2
144.09335	9.0
145.10114	55.5
146.10979	2.9
147.08038	17.2
147.11688	20.0
149.09619	5.4
151.07521	12.8
153.06995	6.7
153.09076	2.7
154.07785	3.8
155.08534	17.9
156.09335	15.2
156.14311	2.5
157.10121	63.6
158.10924	9.6
159.08102	7.2
159.11661	28.2
159.12613	2.3
161.09621	5.9
161.13283	11.3
163.11208	11.1
165.07034	8.8
165.07829	2.9
165.09105	32.6
167.08562	11.5
167.10599	13.7
168.09372	9.8
169.10109	34.3
170.10956	8.1
171.11668	34.9
173.09656	3.2
173.13269	26.2
175.11264	3.4
175.14848	10.3
177.09225	3.0
179.08557	13.7
180.09361	7.0
181.10117	17.4
181.12244	8.2
182.10880	11.6
183.11668	29.1
184.12460	5.7
185.09657	3.4
185.13206	19.1
187.11339	3.7
187.14856	9.9
189.12767	7.0
191.14265	11.7
192.09351	5.0
193.10143	18.1
194.10893	13.0
195.11647	22.8
196.12521	7.9
197.13225	23.4
198.14120	2.8
199.14795	15.0
201.12746	5.4
201.16451	6.0
203.08543	3.9
203.14328	15.1
204.09438	3.5
206.10916	7.0
207.11737	17.0
207.13829	9.5
208.12491	10.3
209.13271	27.4
209.15114	3.9
210.14091	4.9
211.14850	12.2
213.12682	3.0
213.16490	3.2
217.10164	2.6
217.15804	12.8
218.10950	3.5
219.11690	6.5
220.12538	8.4
221.13268	21.5
221.15424	61.6
222.14139	2.9
223.14870	11.6
224.15646	2.8
225.16437	5.8
227.14217	3.8
230.10887	3.3
231.11697	4.4
232.12477	7.0
233.13248	12.2
233.15402	5.7
234.14233	2.9
235.14815	14.2
237.16444	6.8
239.18051	7.1
241.19684	3.6
243.11797	3.9
244.12477	3.5
245.13358	7.0
246.14052	3.8
247.14847	9.9
248.15620	3.1
249.16412	11.4
251.17905	6.3
255.17569	3.6
257.13229	4.8
257.19101	7.5
259.14844	3.7
259.20560	3.7
260.15680	7.2
261.16431	11.4
262.17349	3.6
263.18079	5.4
265.19513	7.9
269.19144	3.5
271.15115	3.8
273.16357	3.4
275.17923	14.2
277.19388	4.9
283.15329	2.9
283.20554	19.0
287.17841	4.0
289.19482	3.0
293.19077	3.9
297.22113	4.4
319.20721	3.2
331.24280	7.7
335.23691	4.1
349.25378	8.6
352.23715	3.4
375.26797	4.6
403.30038	5.1
449.26752	2.6
491.35159	6.5
503.35410	3.6
565.40509	23.8
583.41565	92.7
596.52405	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	583.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.4
52.07731	0.3
53.03934	0.7
55.05488	0.4
69.03385	0.3
69.07045	0.6
77.03938	0.7
79.05056	0.5
79.05487	5.2
81.07040	0.5
82.02299	0.3
87.04456	1.3
89.06023	10.6
91.05473	2.2
93.07038	3.4
95.04958	2.8
103.05457	4.2
105.07021	100.0
107.07071	0.4
107.08587	0.5
115.21627	0.3
117.07011	0.4
119.08576	1.0
121.06495	12.0
121.10203	0.4
122.69943	0.3
130.08623	0.3
131.08553	1.0
133.08580	4.0
145.10129	0.5
147.08034	1.2
149.09602	0.4
152.75584	0.3
165.09114	5.0
177.11201	1.9
183.10155	0.9
194.10994	0.3
209.11502	1.5
209.13374	2.8
225.12737	0.6
227.12759	0.5
229.80174	0.3
251.14343	0.7
258.49200	0.3
269.15305	1.5
271.15384	35.6
272.15536	0.3
327.17480	0.6
375.21649	6.7
583.41260	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3602
Annotation	Camangeloyl acid
Peak:m/z	Relative Intensity
55.01838	0.8
55.05500	1.9
57.03404	0.8
66.89709	0.6
67.05497	5.8
68.43081	0.6
69.07057	2.6
70.17281	2.4
70.17696	1.0
73.56450	0.6
79.05480	2.9
81.07052	5.0
86.59078	0.6
91.05473	1.4
93.07054	4.3
94.55891	0.7
95.08601	3.8
105.07012	5.3
107.08581	1.7
109.10126	1.2
115.86377	0.8
117.07006	0.8
119.08613	1.6
121.10139	1.0
131.08585	0.8
133.10117	1.5
135.11702	0.9
145.10110	1.6
145.12488	0.7
157.10121	0.9
159.11691	1.2
163.11154	0.9
175.14807	0.8
197.13232	0.6
249.10976	30.8
297.52826	0.6
305.13394	3.1
427.19556	0.9
565.41785	0.7
568.05103	0.7
583.35913	100.0
584.36395	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	583.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.4
51.89009	0.3
53.03933	1.0
55.05492	1.2
57.07064	0.7
57.67315	0.3
59.04986	0.4
65.03931	0.5
67.05503	2.2
69.03436	0.4
69.07053	1.2
69.28127	1.9
69.28555	1.7
77.03918	0.6
79.05490	5.6
81.07050	2.5
83.04987	0.7
83.08630	0.5
87.04465	1.2
89.06025	10.5
91.05474	4.3
93.07034	5.3
95.04963	3.2
95.08591	2.0
97.06516	0.6
98.10923	0.3
98.20705	0.8
103.05460	4.5
105.07021	100.0
106.07346	0.7
107.08582	2.0
109.06527	0.4
109.10153	1.2
117.07016	1.2
119.04977	0.5
119.08567	4.9
121.06498	12.2
121.10126	2.7
123.08036	0.9
128.06201	0.8
129.07030	1.5
130.07767	0.4
131.07025	0.5
131.08543	3.3
133.08583	4.1
133.10112	2.2
135.08037	0.8
135.11703	1.0
137.09607	0.7
141.06978	0.5
142.07777	1.2
143.08565	2.4
144.09258	0.5
145.10101	2.9
147.08032	1.7
147.11644	0.8
149.09628	0.6
149.88979	0.3
151.07521	1.2
155.08537	0.9
156.09340	1.1
157.10129	2.9
158.10951	0.5
158.82237	0.3
159.11667	2.0
161.13234	0.5
163.11127	0.4
165.07024	0.8
165.07626	0.4
165.09111	6.8
167.08559	0.7
167.10683	0.9
168.09346	0.4
169.10104	1.4
170.10941	0.4
171.11720	1.4
173.09615	0.5
173.13286	1.6
175.14838	0.7
177.11224	2.0
179.08612	0.9
180.09375	0.5
181.10138	1.5
183.10213	0.8
183.11693	1.8
185.13344	1.0
187.14807	0.5
189.12727	0.4
191.14354	0.6
193.10147	0.7
194.10898	0.7
195.11685	1.2
197.13277	1.0
199.14818	0.8
203.14313	0.8
207.11653	0.9
209.11612	0.7
209.13297	3.9
211.14900	0.7
217.15877	0.6
218.10861	0.4
221.13243	1.4
221.15396	3.5
223.14778	0.6
225.12756	0.9
227.12796	0.6
232.12532	0.3
233.13312	0.6
233.15468	0.4
235.14882	0.7
236.15419	0.3
237.16394	0.5
247.14767	0.5
249.16475	0.6
251.14302	0.9
261.16385	0.5
263.17972	0.5
265.19620	0.5
269.15375	1.3
271.15369	36.2
272.15857	0.4
273.16397	0.5
275.17737	0.7
283.20682	0.7
289.19775	0.6
297.22021	0.5
299.73849	0.3
327.17490	0.5
352.31207	0.4
371.90833	0.4
375.21649	7.0
375.26401	0.7
403.29727	0.7
491.35287	0.5
503.34714	0.5
565.40363	1.6
583.41406	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	583.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.7
55.05495	1.9
57.03426	0.6
57.07047	0.4
61.02937	0.5
67.05504	5.6
69.03409	0.6
69.07065	1.5
79.05487	3.0
81.03413	2.9
81.07050	3.8
83.04955	0.7
83.08607	0.9
85.02885	0.9
86.82129	0.5
87.04446	0.5
89.06025	1.8
91.05473	3.3
93.07030	2.6
95.04958	1.6
95.08596	1.9
97.10143	0.9
105.07031	8.0
107.04933	1.4
107.08594	2.1
109.06493	1.1
109.10127	2.9
109.29819	0.5
111.04424	0.8
114.63927	0.4
117.07026	1.5
119.08578	2.8
121.10140	1.7
123.11684	0.5
125.09641	0.7
129.06984	0.7
131.08562	1.8
133.08585	1.0
133.10120	1.8
135.11694	0.7
137.06015	1.1
143.08562	1.2
145.06500	0.5
145.10078	0.7
147.11723	0.8
149.13300	0.5
155.08531	0.8
157.10081	1.4
159.76875	0.5
161.09721	0.6
163.07645	0.5
170.09612	0.5
171.10432	0.8
171.11682	1.1
172.11214	0.7
181.08601	0.5
183.11752	1.0
187.14830	0.5
191.10478	0.5
193.12270	1.0
197.10799	0.6
204.10182	1.2
208.09961	0.9
211.13216	1.2
213.10182	1.3
216.10239	3.6
217.11057	0.8
220.09830	0.6
221.10948	0.6
223.08633	0.5
223.12383	0.9
227.11824	0.8
230.11754	3.4
231.11101	0.7
232.13348	0.7
235.12311	1.0
236.09488	0.6
236.11610	0.8
237.12460	0.6
242.10614	0.7
244.09805	0.6
245.10387	2.5
246.11205	1.1
250.09822	1.2
250.13510	0.9
251.11865	3.6
252.15050	0.6
255.11189	0.5
258.11301	1.5
259.10907	0.8
260.11469	1.0
263.11890	0.8
264.11337	1.2
265.12106	1.9
275.20013	1.5
276.12247	0.9
278.12753	0.6
280.14450	7.2
283.10669	1.2
284.11551	0.8
286.13525	0.6
290.12827	1.0
291.13541	0.6
292.14386	0.8
296.14093	1.1
300.11459	0.5
300.14914	0.5
301.11923	1.7
304.11789	12.0
304.15167	0.8
306.16052	3.0
307.16885	0.5
311.15558	0.6
314.12878	1.6
314.16321	0.8
315.13599	0.7
319.12845	3.1
320.13879	0.6
326.12796	0.8
327.13544	1.1
328.14542	2.5
329.14920	0.9
330.16028	0.6
331.12915	0.7
339.14236	0.5
340.14230	0.8
342.16089	2.7
343.12909	3.5
343.16846	1.4
344.17517	0.8
354.16037	0.7
355.16901	0.5
356.17590	3.8
366.15857	0.9
372.13519	0.9
373.14124	1.6
374.14807	4.9
374.18741	0.7
386.15176	1.1
387.15866	3.4
388.16425	0.8
389.17416	0.5
393.16901	0.7
402.18164	10.3
403.18661	0.6
407.18872	0.9
415.18857	0.8
418.15411	0.9
420.15460	0.5
421.20618	0.9
423.22009	0.6
432.16733	0.8
434.17261	0.6
435.18250	1.3
436.19208	2.0
446.18793	0.6
448.18661	0.7
449.19650	1.0
451.21667	1.3
460.19925	0.5
481.22531	3.0
495.20200	0.8
506.21008	0.7
509.21948	1.5
510.21954	0.9
521.25696	0.7
523.23456	1.5
524.24390	0.6
553.20679	0.8
555.26056	1.0
565.24304	1.4
566.22748	1.2
568.22992	3.7
583.25403	100.0
584.25354	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	582.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	10.1
57.07051	7.7
62.31771	3.7
62.43658	4.3
67.05508	20.8
69.03415	7.4
69.07051	13.2
69.32716	39.2
79.05488	23.6
80.06253	4.0
81.07047	26.1
83.04976	6.3
83.08638	6.6
85.06512	4.8
87.05900	3.9
91.05475	47.4
93.07050	38.9
95.04966	65.1
95.08569	19.2
99.75716	4.6
103.05456	5.6
105.07018	84.5
107.04922	5.3
107.08583	44.7
109.06496	10.5
109.10129	12.6
112.81234	4.8
115.05429	9.4
117.07008	23.7
119.08562	82.4
121.06502	7.7
121.10145	45.2
123.08045	10.3
123.11681	4.4
128.06184	15.2
129.07008	21.3
130.07742	11.1
131.08560	54.5
133.06500	4.4
133.10121	35.7
135.08026	14.4
135.11674	11.5
138.10316	5.3
141.06946	10.6
142.07770	26.7
143.08545	76.0
144.09337	14.9
145.06447	7.6
145.10112	65.4
147.08054	12.8
147.11684	21.8
148.08820	5.0
149.09575	8.4
152.22360	3.9
153.06964	6.7
155.08511	28.7
156.09320	19.2
157.10112	63.4
158.10852	14.1
159.08086	11.2
159.11720	30.9
161.09627	17.3
163.11151	4.8
165.07034	6.2
167.08548	14.6
167.10680	7.6
168.09279	8.2
169.10101	39.6
170.10829	11.5
171.08076	6.7
171.11699	34.9
172.08746	5.5
173.09576	20.4
173.13249	15.4
175.11206	6.1
179.08542	18.1
180.09311	12.9
181.10132	26.5
182.10881	13.4
183.11687	33.7
184.12480	5.1
185.09511	6.7
185.13222	16.2
187.11160	9.3
187.14757	7.0
188.12013	5.8
189.12677	10.4
191.14276	8.7
192.09296	8.1
193.10124	17.9
194.10867	10.0
195.11720	29.9
196.12468	9.3
197.09624	9.7
197.13196	32.0
198.10437	6.2
198.13947	7.7
199.11124	22.2
199.14777	11.4
200.34930	4.5
201.12726	6.9
204.15115	4.4
206.10815	7.1
207.11713	25.4
208.12396	8.1
209.09567	6.9
209.13139	27.2
210.10330	9.6
210.14041	10.6
211.11182	8.6
211.14851	14.4
213.12651	6.1
213.16449	7.0
215.14363	6.4
217.10097	9.3
217.12114	6.2
218.11000	6.2
219.11670	10.5
220.12488	7.7
221.13208	13.5
222.13997	8.1
223.11172	9.9
223.14821	18.8
224.12006	5.9
225.12782	10.5
227.14227	19.5
231.11772	9.4
233.13167	10.7
234.14073	5.3
235.14813	11.9
237.12761	5.6
238.17039	6.4
239.14247	8.0
239.18018	6.1
243.11528	4.5
244.12428	5.4
245.13197	10.2
247.14769	12.2
249.12749	4.6
249.16425	8.9
252.15842	11.7
253.15927	10.2
255.17451	10.3
259.14777	11.7
260.15720	5.2
261.16461	9.1
263.14136	5.1
271.17075	6.8
273.18478	73.9
277.15851	5.3
277.19229	4.3
287.20108	5.0
289.15851	12.3
289.19348	4.8
299.19974	24.1
319.20532	11.8
325.21390	6.4
326.19595	11.4
331.20267	4.9
337.21649	26.1
344.20642	5.1
345.22076	4.4
351.23071	11.1
352.23932	100.0
353.17752	4.4
363.23090	8.8
365.24664	16.8
409.67920	4.3
429.28198	7.6
444.30157	40.7
445.30762	6.0
490.34219	16.5
526.34204	5.8
582.40460	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.05515	6.6
57.03192	0.7
57.03441	7.2
57.07068	0.9
65.03931	1.4
66.21618	0.5
67.05507	26.4
67.21136	0.5
69.03395	0.6
69.07071	6.5
70.79444	1.5
71.04976	0.8
79.05490	13.9
81.07056	23.3
81.15339	0.5
82.07359	0.5
83.04974	0.5
83.08608	3.0
91.05478	6.4
93.07040	15.6
95.04959	1.8
95.07994	0.9
95.08607	17.4
97.06506	0.9
97.10165	1.1
98.98457	1.2
105.07014	3.9
107.04958	16.7
107.08600	8.1
109.06506	0.6
109.10150	6.9
117.06980	1.2
119.08583	3.3
121.10136	5.4
123.11694	1.6
130.79631	0.6
131.08600	2.7
133.10124	2.1
135.11728	3.2
142.02640	12.4
145.10185	1.3
147.11684	1.4
149.13229	1.0
150.09169	2.6
155.01001	0.8
159.11708	0.6
161.13246	0.8
163.14771	0.6
173.13252	0.7
187.14786	0.7
248.06805	6.2
261.22089	1.0
262.22351	0.6
304.26352	0.8
322.10397	0.6
335.25797	100.0
336.26132	1.5
422.18613	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.6
55.05498	7.5
57.07068	6.2
62.17952	2.5
67.05506	16.1
67.05805	3.3
69.03414	3.3
69.07042	7.8
69.28013	25.5
79.05493	17.2
81.07047	26.4
82.24009	2.5
83.04977	3.7
83.08588	5.0
85.06506	3.4
91.05473	34.5
93.07042	31.9
95.04967	48.2
95.08595	15.9
105.06372	4.7
105.07026	48.1
106.57671	2.5
107.08578	31.2
109.06501	9.9
109.10134	9.8
114.81180	2.3
115.05436	8.2
117.07004	21.3
119.08568	53.2
121.06481	8.8
121.10130	26.0
121.80621	3.2
123.08025	13.3
123.11690	6.4
125.09602	2.8
128.06210	12.3
129.07002	18.6
130.07774	7.9
131.08566	36.5
133.10124	30.5
135.08052	14.0
135.11678	7.1
137.09579	4.4
139.37054	2.7
141.06990	9.8
142.07785	20.8
143.08549	51.4
144.09293	7.9
145.06468	7.7
145.10104	49.0
147.08025	9.1
147.11662	12.8
147.31787	2.6
149.09601	7.8
153.06972	3.8
155.08530	21.1
156.09329	13.0
157.10106	43.9
158.10899	8.6
159.08020	9.0
159.11702	17.9
161.09642	15.0
161.13225	3.8
163.11220	3.5
165.06950	7.6
166.07742	4.0
167.08524	14.3
167.10611	5.2
168.09317	7.5
169.10117	23.9
170.10895	6.3
171.08112	6.7
171.11650	26.5
172.12376	3.2
173.09595	15.1
173.13315	12.4
175.11116	7.2
177.09215	3.3
177.79449	2.7
179.08537	14.0
180.09308	5.8
181.10106	20.8
182.10905	7.4
183.08063	3.4
183.11678	24.6
185.09572	7.4
185.13251	10.3
186.10339	3.5
187.11143	9.4
187.14732	3.0
188.11943	7.3
189.12735	6.5
191.14291	8.1
192.09277	6.7
193.10168	14.0
194.10851	9.9
195.11691	26.9
196.12395	6.1
197.09598	6.9
197.13203	23.8
198.10442	3.5
198.13983	3.9
199.11157	13.1
199.14799	9.4
200.11954	3.9
201.12750	7.7
201.16492	2.9
205.10130	4.2
206.10773	7.7
207.11676	18.0
208.12413	7.4
209.09616	3.4
209.13185	15.5
210.10451	3.0
210.14069	5.6
211.11140	10.3
211.14886	8.9
212.11887	5.2
213.12695	10.2
213.16367	7.3
215.14352	5.1
217.10170	4.1
217.15805	4.4
218.10956	5.2
219.11647	10.1
220.12398	4.2
221.13217	12.4
222.13902	6.8
223.14780	11.7
224.15527	3.1
225.12677	6.4
225.16360	3.6
227.14268	19.0
231.11674	4.9
232.12650	3.8
233.13246	10.3
235.14795	8.7
236.52748	3.0
237.12643	4.8
237.16287	5.4
238.13525	2.9
238.17245	3.0
239.14206	5.7
239.17926	4.9
241.15892	3.9
243.11635	3.3
244.12401	4.4
245.13208	4.4
245.15402	4.0
246.13925	3.9
247.14705	7.0
248.15575	2.9
249.16505	3.4
253.15947	10.1
255.17465	5.2
257.15393	3.1
259.14838	5.0
261.16428	6.2
263.14334	4.0
271.16913	7.3
273.15894	5.1
273.18530	59.5
275.17920	3.6
277.15936	6.2
277.19583	3.6
286.19266	7.6
287.14597	2.7
287.20285	3.8
289.15781	9.2
289.19092	3.1
291.17401	4.0
291.20975	6.4
299.20209	19.4
301.19260	3.2
303.17365	3.1
307.20447	3.6
312.20975	3.0
319.20462	8.9
325.21530	5.6
334.22781	4.1
337.21594	25.1
339.23349	3.1
350.22589	3.7
351.23016	6.4
352.23935	100.0
353.24899	3.7
363.23279	8.8
365.24805	13.0
376.23740	4.2
401.27951	3.6
406.28357	3.7
429.27856	6.8
434.28201	8.0
444.30310	36.3
445.31024	11.8
472.33490	3.9
490.34518	14.1
504.03049	3.1
526.34204	4.3
582.40540	62.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52726	0.9
53.03927	1.4
54.18269	1.0
60.04517	1.5
70.06593	22.8
71.06911	1.3
71.57666	1.0
72.08160	5.6
72.58441	0.9
74.06072	2.0
79.05490	1.6
81.03391	1.0
82.01888	0.9
83.06090	1.8
84.04505	5.1
84.08142	8.8
85.02884	1.7
86.09701	8.0
87.05609	2.0
91.05476	5.9
93.07063	1.3
95.04977	2.3
103.05467	5.2
104.10740	1.0
105.07018	2.9
107.04957	100.0
110.07191	5.5
112.08681	1.1
115.05424	1.1
115.08723	1.1
117.07030	3.5
119.04940	2.1
120.08086	3.6
121.06483	3.9
122.02734	1.7
122.60042	0.9
126.05534	1.1
129.07028	6.6
129.10228	4.3
130.04970	1.4
131.04924	17.7
132.04446	1.9
132.05650	1.3
133.06519	10.7
135.04420	2.1
136.07576	1.2
145.06496	35.8
147.07901	1.5
149.05962	3.4
151.02153	8.3
157.06479	18.3
163.02136	42.2
165.03723	3.7
169.06474	1.5
175.07527	3.5
184.07330	2.2
187.07562	4.9
223.07626	1.6
223.10838	1.1
225.47433	0.9
235.04254	1.5
236.08199	1.7
237.09146	2.8
240.06894	2.1
251.10680	20.5
252.06908	25.0
263.10779	4.5
270.07965	16.6
281.11725	6.6
292.94467	1.1
345.13052	3.9
346.13394	5.0
347.13675	4.8
476.17963	1.4
582.30463	1.3
608.79901	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14199	0.1
51.02373	0.3
53.03946	0.6
55.01862	0.3
56.83770	0.1
59.04056	0.1
69.85744	0.7
71.04973	0.5
77.03925	0.3
79.05484	1.0
85.02913	0.8
94.63525	0.1
95.04961	1.2
97.02879	0.3
99.04466	0.4
105.04524	0.3
107.04948	100.0
107.51385	0.1
108.05283	0.9
115.93063	0.1
117.05494	0.8
127.03923	0.2
135.06509	1.0
145.04979	0.2
163.06018	0.3
173.46265	0.1
191.90805	0.1
259.49612	0.1
325.11243	0.1
367.91565	0.1
489.87067	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.1
52.26710	0.1
53.03948	0.5
55.01870	0.2
57.03424	0.2
57.98984	0.1
58.04562	0.1
61.02914	0.2
69.03431	0.5
70.06580	0.3
70.27512	0.4
72.08161	0.2
73.02920	0.1
77.03917	0.2
79.05494	1.1
81.03416	0.3
84.04512	0.2
84.08138	0.3
85.02905	2.2
87.04477	0.1
91.03957	0.2
95.04964	1.7
95.34889	0.1
97.02885	0.5
99.04462	0.1
103.69061	0.1
105.04507	0.3
107.04951	100.0
108.05280	0.6
109.02911	0.2
110.07097	0.1
114.05547	0.1
117.19863	0.1
127.03942	0.3
137.05922	0.1
145.04929	0.7
163.06064	0.3
217.04013	0.1
238.06981	0.1
476.18039	0.1
531.59320	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	581.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32362	2.8
53.03923	3.8
55.05489	11.7
57.07061	11.8
59.04993	5.5
65.03903	3.5
67.05502	21.6
69.03419	6.5
69.07063	18.7
79.05487	19.5
81.03407	4.9
81.07049	25.8
83.04967	7.4
83.08599	6.4
89.06008	11.0
91.05482	37.6
93.07037	41.4
94.62505	2.8
95.04951	17.7
95.08604	23.3
97.06513	8.9
98.33954	2.9
103.05418	4.3
105.07027	61.6
107.04934	7.5
107.08588	35.0
109.06495	9.6
109.10155	14.8
115.05462	3.8
117.06976	11.7
119.08577	43.3
121.06487	10.1
121.10136	41.2
123.08079	13.7
123.11687	6.6
125.05989	4.9
125.09637	3.0
128.06175	5.5
129.06970	10.0
130.07771	6.3
131.08580	23.7
133.08629	3.9
133.10109	40.1
135.08051	10.8
135.11633	14.1
137.09583	9.7
141.06935	4.8
142.07761	8.0
143.08575	24.4
144.09274	3.1
145.10117	35.5
147.08029	9.9
147.11667	10.6
149.09654	16.1
149.13232	5.1
151.07497	10.3
151.85631	3.2
153.06906	4.6
155.08562	7.0
156.09326	10.6
157.10130	26.7
159.08012	7.8
159.11613	15.4
161.09570	8.0
161.13152	6.6
163.02776	4.2
163.11151	9.4
165.06990	6.0
165.09048	16.8
167.08516	6.4
167.10654	32.1
169.10103	13.6
170.10909	4.3
171.11647	21.2
173.09624	4.9
173.13231	13.0
175.14780	6.3
178.58415	3.0
179.08574	8.7
179.20868	2.8
180.09332	8.2
181.10045	9.9
181.12251	9.3
182.10820	6.1
183.11659	13.1
185.09680	3.9
185.13234	13.6
187.11150	6.3
187.14819	11.4
189.12643	6.0
191.14250	4.4
192.09340	6.4
193.10158	8.1
194.10881	6.4
195.11690	14.0
196.12505	4.2
197.09616	4.6
197.13235	12.6
199.11108	3.7
199.14799	11.7
201.12828	3.0
203.14287	8.7
205.10115	3.0
206.10883	4.1
207.11691	13.8
207.13722	7.2
209.13246	13.0
210.10640	3.7
211.14790	11.6
212.64548	3.8
213.12810	3.8
215.14299	6.4
217.10141	5.3
219.11713	5.7
220.12463	4.5
221.13242	12.8
221.15364	28.3
223.14777	5.7
225.12624	5.1
231.11702	6.5
233.15308	13.3
235.14816	7.8
237.12851	3.4
239.14308	4.6
239.18002	4.5
244.12387	3.6
246.13976	3.5
247.14789	4.0
249.16344	4.8
259.14859	6.7
260.15515	4.0
261.16348	6.7
263.17892	5.2
265.15979	3.1
265.19382	3.3
303.21021	3.6
341.22217	3.6
491.91571	3.4
563.38708	17.3
580.89258	8.6
581.30872	12.5
581.39594	100.0
581.89374	3.8
582.40210	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	581.4558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.01879	1.2
55.05507	16.9
55.88690	0.7
56.43838	0.7
57.07069	2.5
59.04991	0.8
65.03928	1.3
67.05496	32.7
69.03426	1.7
69.07062	15.1
69.42673	7.1
71.04997	1.9
73.06573	1.0
79.05486	21.3
81.07052	37.1
83.04984	2.1
83.08612	8.5
85.06548	2.2
91.05469	22.2
93.07037	25.5
93.15739	0.7
95.04987	3.7
95.08599	33.7
96.43105	0.8
97.06496	3.5
97.10146	5.4
99.08053	1.3
99.29643	0.8
103.05459	1.3
105.07020	29.4
107.04953	1.2
107.08591	18.5
107.09293	1.4
109.06541	2.3
109.10137	14.3
109.10799	1.0
111.08105	1.5
111.11710	0.9
115.05463	1.6
117.07015	14.0
119.08569	27.8
121.06562	1.5
121.10130	15.0
121.10909	1.2
123.08095	3.3
123.11708	4.7
125.09651	2.8
128.06190	4.7
129.06990	16.4
130.07768	2.3
131.08563	27.3
131.09496	1.4
133.10120	20.6
135.08069	2.3
135.11676	9.6
137.09615	2.1
137.13301	1.9
141.06987	5.4
142.07755	4.6
143.08548	23.4
144.09346	1.5
145.10104	25.5
147.08066	1.3
147.11659	11.3
149.09659	2.1
149.13232	4.0
151.07574	1.5
151.11177	1.1
151.14842	1.0
153.07016	1.0
154.07748	1.1
155.08536	10.8
156.09389	3.0
157.10120	21.7
158.10863	1.4
159.11685	16.2
161.09709	1.0
161.13234	6.2
163.11266	1.3
163.14864	2.0
165.07045	1.1
167.08578	3.2
167.10609	4.3
168.09453	1.2
169.10097	16.9
170.10899	1.8
171.11681	20.2
173.13248	13.4
175.14839	3.7
177.16440	1.3
179.08643	2.5
180.09279	1.0
181.10094	6.5
182.10986	1.2
183.11674	14.6
184.12399	1.0
185.13249	13.4
187.14818	7.7
189.16400	2.0
191.14371	1.0
193.10239	2.3
194.10872	1.1
195.11644	6.6
196.12424	1.0
197.13229	10.4
199.11261	0.8
199.14796	10.6
201.16472	2.7
203.18047	0.9
207.11728	2.0
207.13698	0.9
208.12550	1.1
208.78101	0.8
209.13287	4.6
211.14764	7.3
213.16336	7.1
215.14424	1.3
215.18019	1.6
219.11795	1.2
220.12445	1.0
221.13278	2.7
221.15472	2.6
223.14896	3.4
225.16391	4.2
227.14217	0.9
227.17944	6.3
229.19597	0.8
233.13345	1.0
233.15443	1.8
235.14896	1.8
237.16452	2.2
237.18575	1.0
239.18007	2.8
241.19681	2.3
247.14799	1.1
249.16365	1.5
249.18680	1.0
251.17917	1.7
251.20216	1.0
253.19591	2.6
255.21074	1.6
257.19080	1.1
263.17859	1.3
263.20294	1.5
265.21753	1.1
267.17657	1.0
267.21121	1.3
269.18961	0.8
271.20657	1.6
277.22098	1.2
281.19086	1.3
283.20697	2.1
289.21741	1.0
291.23358	1.4
295.20636	1.5
297.22238	1.3
299.20261	1.0
301.21475	0.9
303.23349	1.3
309.22284	1.0
311.20422	1.0
311.23846	1.3
313.21671	0.9
315.23254	1.2
317.24908	1.3
319.72073	0.7
323.23724	1.9
327.23233	1.8
329.24835	1.6
335.23599	1.7
337.25320	2.0
339.27066	1.0
341.24844	2.6
344.27274	0.9
345.27881	1.7
351.26785	1.4
355.26566	2.3
363.26712	1.2
365.28485	1.6
369.28073	2.5
383.29495	5.0
395.29501	1.0
397.31152	2.8
407.29141	1.0
409.31454	0.9
411.32852	1.8
425.34314	2.7
447.32928	2.7
461.34064	1.6
473.36624	1.2
499.39380	2.9
511.38022	2.4
513.39581	1.1
517.40411	8.9
525.39618	1.0
531.41937	1.3
539.76270	0.8
549.42883	16.8
563.38708	1.6
581.45831	100.0
582.46240	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	581.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	2.0
51.90348	1.5
53.03941	2.2
55.01873	1.5
55.05502	12.1
57.07067	4.7
59.04972	2.6
65.03941	4.1
67.05500	19.3
69.03423	7.5
69.07063	12.7
69.84822	3.3
69.85237	6.8
71.04995	1.9
77.03907	1.8
79.05492	21.2
81.07054	24.2
83.04975	5.5
83.08603	5.5
86.32414	1.8
89.06027	5.0
91.05472	31.6
93.07030	41.4
95.04948	13.7
95.08041	2.1
95.08604	25.6
97.06519	6.5
103.05472	3.1
105.07022	78.1
106.07314	2.1
107.04957	3.0
107.08583	31.2
107.35721	1.4
108.95708	1.6
109.06497	10.2
109.10156	17.8
113.09669	1.5
115.05450	4.1
117.06993	9.8
119.08572	49.9
121.06458	7.9
121.10136	46.4
123.08044	19.4
123.11704	7.0
125.05953	2.1
128.06226	7.0
129.06993	13.9
130.07779	4.6
131.08556	26.1
133.06522	2.6
133.08568	4.5
133.10121	47.8
135.08057	8.2
135.11673	13.9
137.09644	7.2
139.07581	1.7
141.06978	5.7
142.07777	13.3
143.08553	26.4
144.09366	4.4
145.10101	35.5
147.08032	16.1
147.11664	11.7
149.09619	18.5
149.13313	2.5
151.07515	16.0
153.07008	2.3
154.07738	1.8
155.08508	10.8
155.10654	2.0
156.09352	12.5
157.10118	31.3
158.07430	1.7
158.10893	5.5
159.08052	6.7
159.11668	17.6
161.09634	6.0
161.13269	4.7
163.11171	7.1
165.06978	4.8
165.09114	22.5
166.07755	2.2
167.08516	4.3
167.09207	2.5
167.10649	40.7
168.09306	4.2
169.10114	16.5
170.10886	6.7
171.11681	20.2
173.09622	5.3
173.13251	20.0
175.11185	7.6
175.14777	8.7
179.08572	7.2
180.09315	3.8
181.10098	9.8
181.12259	5.0
182.10941	6.0
183.08127	2.2
183.11723	12.7
184.12447	2.9
185.09631	4.4
185.13219	11.6
187.11247	4.3
187.14784	11.4
189.12767	6.5
191.14381	3.1
192.09358	4.2
193.10060	8.4
194.10904	6.2
195.11684	11.9
196.12491	6.0
197.09634	1.8
197.13225	10.0
199.11217	5.6
199.14767	10.7
200.11909	1.7
201.12779	2.9
201.16402	3.6
203.14296	12.6
205.10172	2.8
206.10965	4.9
207.11743	11.3
207.13831	5.0
208.12448	4.7
209.09579	1.6
209.13243	16.0
209.15152	3.5
211.11172	2.6
211.14896	9.0
213.12741	4.7
213.16376	6.5
215.14326	5.1
217.15826	2.1
218.10834	2.0
219.11710	6.0
220.12523	4.9
221.13242	8.9
221.15306	56.3
222.14003	2.7
223.11266	1.9
223.14821	7.0
225.12811	3.8
225.16393	5.4
227.14223	2.8
230.10956	1.6
231.11726	5.2
232.12367	3.3
233.13214	6.3
233.15422	19.0
234.14084	2.3
235.14787	8.0
236.95811	1.6
237.12691	3.5
237.16400	4.8
239.14268	2.8
239.17847	2.5
241.19391	2.5
243.11739	2.3
244.12474	3.2
245.13278	5.3
246.14034	2.9
247.14816	5.7
247.17038	3.2
249.12720	1.7
249.16457	2.9
251.14388	4.4
251.17952	3.2
253.19653	2.4
257.13202	4.7
258.14169	2.3
259.14850	4.4
260.15582	1.9
261.16400	4.7
263.18005	2.7
265.19452	3.2
267.17471	2.6
270.13800	2.1
271.14691	2.6
272.15494	1.9
273.16321	4.8
275.17941	3.4
277.15891	2.1
277.19388	2.9
279.17606	1.8
283.14679	2.2
283.20471	1.9
285.16324	5.0
289.19482	3.0
299.20459	2.2
303.20981	2.0
312.20963	8.9
331.24564	2.0
347.23767	3.6
355.24350	1.8
359.23645	4.0
373.25473	4.4
393.24091	2.8
401.28799	2.7
423.27277	1.8
425.28522	3.2
507.32227	2.6
519.48895	1.9
545.38123	2.3
553.40289	6.2
563.38599	16.6
581.39856	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
54.25626	0.4
54.58760	0.4
55.01852	1.8
55.05498	0.5
57.03420	1.1
60.04506	0.4
61.02909	1.2
67.05500	1.1
68.99768	1.1
69.03425	6.4
70.06590	2.7
71.04984	0.9
72.08131	0.7
73.02902	1.5
77.67068	0.5
79.05488	1.3
80.26464	0.4
81.03407	8.5
81.07039	1.4
83.08621	0.4
84.04508	0.6
84.08125	0.7
85.02900	11.2
86.09705	0.9
87.00819	3.2
87.04469	0.8
91.03944	1.0
91.05464	1.5
93.07053	1.1
95.04944	0.7
97.02889	4.1
98.06029	0.7
98.20739	0.7
99.04453	2.5
100.11262	0.7
101.40935	0.4
105.01848	2.2
105.07007	1.0
107.04946	3.6
109.02863	6.7
109.10153	0.6
111.04419	0.6
117.01840	0.9
121.02869	0.7
121.06477	0.4
121.10130	0.5
125.02374	0.8
127.03911	8.5
129.01839	0.7
137.02342	11.4
137.03371	0.7
145.04927	1.8
149.02231	0.8
150.03003	0.5
151.03908	1.0
153.01828	0.7
159.02908	3.7
161.02318	0.7
167.03386	1.8
169.01291	1.7
171.04333	0.5
179.03325	0.5
183.02924	1.4
188.04692	0.4
193.05066	0.5
195.02887	1.2
199.03783	0.5
203.06975	0.8
213.03816	0.6
213.05630	0.4
219.02374	0.5
231.06737	2.2
244.03650	2.1
245.04504	0.9
259.05975	4.1
269.04376	0.7
272.03162	0.9
273.03918	1.2
273.11917	0.6
287.05460	6.7
288.05811	0.6
290.04248	0.9
301.03397	3.2
304.05704	0.5
315.04950	12.9
316.05331	1.2
317.02899	2.2
317.06439	1.2
318.03650	12.9
318.07224	0.8
333.06018	100.0
334.06445	1.0
580.34882	2.8
580.43036	0.5
581.35529	2.2
604.08820	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36892	0.5
70.06591	2.9
70.93986	1.1
71.04985	0.6
72.08144	1.1
72.68309	0.6
77.03889	0.5
81.03408	0.8
83.04984	1.8
84.04498	0.6
84.08134	1.4
91.05471	0.5
93.07040	1.1
95.81155	0.6
100.84505	0.5
101.06020	0.9
101.24590	0.6
103.05458	6.3
107.04963	2.4
112.08738	0.5
120.08104	100.0
121.08440	1.2
129.10216	0.7
131.04906	2.7
136.07573	3.2
149.05971	2.1
159.06581	0.6
166.08640	50.7
167.08995	0.5
168.50018	0.5
177.07680	0.6
194.58499	0.6
199.67601	0.6
217.10651	0.8
235.11723	1.4
253.32913	0.5
275.71957	0.5
320.10583	0.6
384.61310	0.5
580.28320	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	580.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.9
60.04520	1.4
61.01861	0.5
70.06593	14.0
71.06906	0.6
71.57654	0.8
71.58006	0.7
72.08155	3.9
74.06091	1.2
76.02245	0.9
81.03424	0.9
83.06092	0.9
84.04497	2.8
84.08149	7.3
86.06087	0.5
86.09710	4.8
90.68832	0.6
91.05457	1.0
95.06085	0.8
98.97604	0.9
101.07150	0.6
102.05531	1.7
103.29926	0.6
105.03378	0.9
105.07015	0.8
107.04956	6.8
110.07156	3.3
111.05594	4.4
111.07454	0.5
112.08772	0.8
114.98105	0.6
115.04288	0.6
120.04461	3.2
120.08094	2.3
125.05826	1.3
126.05671	0.6
126.06665	2.0
129.10231	3.0
130.05000	0.7
132.03456	1.2
132.04459	24.1
133.06425	1.8
134.06026	5.1
136.07539	1.5
137.04721	1.0
145.06293	0.7
146.99629	0.7
151.06158	9.3
158.06024	0.9
184.07381	1.8
194.06686	5.0
195.07646	0.7
202.09717	1.2
216.11375	0.8
225.09236	0.8
230.09299	1.5
242.09224	5.8
257.10403	5.5
259.11877	11.1
284.11356	3.7
302.12482	17.5
327.08551	0.8
327.11948	4.3
345.13071	100.0
346.13397	2.5
357.50775	0.7
451.17502	3.7
456.16202	1.5
474.17374	25.5
567.78162	0.7
606.31909	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.0
56.96568	40.9
60.17724	1.8
62.78314	1.7
67.05497	3.0
70.06580	5.4
74.89615	1.7
79.05490	4.9
81.72546	1.8
84.08149	2.9
86.09679	4.1
91.05473	7.0
93.07020	2.8
95.04985	4.3
103.05479	3.2
103.48763	1.8
105.07037	8.2
107.04957	86.2
108.05273	6.5
109.13644	1.7
115.05489	1.7
117.07000	5.7
118.13457	1.7
119.04916	5.3
119.08593	2.0
120.08104	3.1
121.02887	10.4
121.06483	4.9
124.99944	2.8
129.07033	8.6
131.04932	15.3
131.08540	3.7
133.06494	21.9
135.04417	2.9
145.06516	16.5
147.03366	3.0
147.08064	5.2
149.05994	2.9
155.03822	2.3
157.06485	9.9
159.08058	4.8
161.06024	2.2
165.07077	2.2
167.03868	1.8
167.62263	1.7
169.06551	3.4
171.03293	3.7
171.08199	2.5
173.04834	3.9
175.02655	1.7
175.07555	3.4
181.06525	3.2
183.03329	2.4
184.07339	4.9
185.04855	4.1
187.02904	1.8
187.06352	2.7
189.04395	2.1
197.04797	1.9
199.06236	3.3
202.07646	1.9
203.05876	7.3
203.07771	1.6
211.06184	2.6
213.07828	2.5
215.05934	2.2
217.07396	4.5
222.66273	1.7
225.09354	2.1
229.07472	2.7
236.08035	2.4
237.08882	2.4
239.09592	3.5
247.07870	2.2
247.10367	2.1
249.07933	3.8
251.10664	8.6
253.11104	8.4
255.09158	7.0
261.09082	3.2
262.09290	2.1
263.10422	5.6
267.09048	39.2
269.10413	2.8
271.12195	7.4
273.09790	2.2
279.12714	2.8
285.10089	100.0
299.06973	2.1
301.14789	12.0
303.11230	4.8
303.16339	9.9
306.38278	2.0
308.11603	11.2
319.15805	47.3
329.14249	6.1
337.16849	2.8
347.15289	21.0
365.16370	89.7
383.17447	30.2
388.17929	5.5
406.18921	6.7
531.20770	5.8
534.68658	2.0
561.22614	2.5
579.22717	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	579.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.3
55.01875	3.2
55.05507	20.2
57.03432	8.4
57.07069	7.7
67.05501	91.8
68.05305	2.0
69.03426	4.9
69.07063	17.3
69.34015	5.8
69.34419	14.2
71.04996	2.5
71.08628	3.3
73.02914	2.2
79.05492	46.8
81.03413	10.5
81.07056	92.4
83.04964	2.9
83.08623	12.8
85.02927	5.0
85.06534	3.3
91.05466	19.2
93.07043	51.5
95.04993	5.2
95.08605	74.2
97.02869	2.9
97.06523	4.6
97.10161	3.8
98.20783	4.2
98.98466	47.8
99.04446	6.0
99.08101	2.4
105.07025	17.4
107.08592	39.4
109.02868	14.5
109.06560	2.4
109.10150	35.7
110.03640	2.3
111.04440	4.9
111.08068	2.9
117.07030	8.6
119.08584	17.1
121.10139	31.2
123.11695	22.6
127.03925	8.3
129.07011	3.4
131.08562	22.5
133.10106	18.5
135.11681	30.0
137.09583	3.8
137.13252	9.3
137.51340	1.9
145.10115	15.3
147.11691	13.8
149.13239	17.5
151.14775	4.2
155.01039	51.2
159.11679	18.3
161.13281	10.8
163.14810	13.5
165.16443	2.1
167.88814	2.2
173.13248	15.1
175.14821	7.5
177.16394	3.3
187.14838	6.6
189.16394	2.2
191.00079	3.5
233.22650	4.8
243.21082	28.2
245.22664	7.1
261.22134	100.0
263.23691	13.9
279.23175	6.0
288.06311	2.2
317.06396	6.8
335.25772	19.6
337.27411	35.6
353.26871	72.9
398.73651	2.3
402.99130	2.3
451.20865	3.3
469.22513	3.0
561.27264	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	579.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93708	1.0
53.01526	1.0
53.03930	2.9
53.30937	1.0
55.01859	3.1
55.05504	12.7
56.08401	1.0
57.03435	6.7
57.07065	6.3
59.04987	1.3
65.03929	2.7
67.05498	66.6
69.03419	4.2
69.07059	16.7
69.28938	1.3
69.29271	13.5
71.04985	2.4
71.08624	2.1
73.02894	4.3
79.05486	40.3
81.03420	7.0
81.07050	72.2
82.07377	1.1
83.04980	2.7
83.08608	9.3
85.02870	6.1
85.06560	2.8
85.10191	1.2
89.06030	1.3
91.04957	2.1
91.05470	26.5
93.07034	55.1
95.04974	7.3
95.08597	55.6
97.02851	1.7
97.06534	3.6
97.10159	4.1
98.98457	14.1
99.04437	3.6
99.08055	2.3
105.07024	26.3
106.07350	1.1
107.04976	2.4
107.08580	37.8
109.02866	11.9
109.06499	3.0
109.10142	34.7
110.03621	4.0
111.04405	4.8
111.08059	2.8
113.09617	1.4
115.05465	1.7
117.07008	11.4
119.08566	20.2
121.06497	2.2
121.10127	28.8
123.08054	3.0
123.11702	19.6
125.09622	1.9
127.03869	4.0
129.06999	2.1
131.08548	23.3
132.99522	1.4
133.10123	20.0
135.08044	2.0
135.11670	26.3
137.09576	3.1
137.13272	6.1
139.11180	1.3
143.08554	1.7
145.10091	18.5
147.11664	12.2
149.09563	3.0
149.13254	16.6
151.11143	2.5
153.12808	1.6
155.01038	14.9
155.08559	1.6
157.10175	2.6
159.11685	16.0
161.13213	9.7
163.11229	2.3
163.14796	11.6
165.12694	2.8
169.10173	1.4
173.13235	14.5
175.14796	5.1
177.12732	1.2
177.16350	5.5
179.14323	2.4
187.14812	8.1
189.16455	1.4
191.00119	3.6
199.14708	1.2
201.16336	2.4
205.15746	2.1
209.01035	1.5
215.06328	1.4
219.17503	1.6
233.22627	5.4
243.21072	28.5
245.22499	2.7
256.25586	1.2
261.22119	100.0
263.23599	7.3
279.23206	5.4
285.21869	1.6
303.23102	3.1
317.06509	1.6
317.41736	1.2
335.25714	12.2
337.27332	10.3
342.29303	1.2
353.26840	74.7
369.24133	1.9
381.78238	1.2
425.27936	1.8
443.27679	1.9
451.21677	3.0
469.22943	1.7
543.36414	1.3
561.27161	4.1
561.37225	2.3
579.27484	1.8
579.38049	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	579.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.6
55.01865	6.4
55.05506	15.4
57.03430	5.9
57.07063	5.2
61.02923	2.1
64.99007	1.3
65.03934	3.5
67.05499	76.9
69.03424	4.6
69.07063	19.1
69.33902	14.3
71.04991	3.5
71.08627	1.8
73.02905	2.2
75.04471	1.9
79.05486	46.7
79.05959	2.9
81.03419	7.3
81.07053	80.9
83.04988	3.0
83.08640	9.2
85.02905	4.5
85.06515	2.7
89.06043	4.8
91.05465	28.8
91.05989	1.8
93.07040	55.5
95.04977	7.9
95.08598	61.8
97.02882	3.2
97.06525	6.1
97.10168	4.6
98.21555	3.0
98.98475	2.4
99.04440	2.9
99.08066	3.1
105.07024	28.0
107.04964	4.8
107.08585	35.7
109.02885	10.5
109.06517	3.7
109.10147	37.5
110.03657	2.2
111.04433	3.9
111.08118	3.6
113.09641	1.5
117.07005	12.2
119.08583	20.9
121.06518	1.7
121.10130	31.3
123.08059	4.5
123.11684	15.5
125.09593	2.9
127.03896	5.7
128.06198	2.3
129.06975	4.5
131.08556	22.8
132.99506	1.5
133.08589	1.8
133.10121	19.7
135.08089	2.8
135.11678	28.0
137.09578	3.9
137.13225	8.0
139.11224	1.7
141.06898	1.4
142.07756	1.8
143.08589	2.8
144.63832	1.3
145.10100	20.2
147.08090	2.0
147.11691	14.5
149.02286	2.4
149.09590	3.5
149.13246	16.5
151.11217	2.2
151.14731	1.8
153.12749	1.7
155.01074	1.6
155.08521	2.4
156.23889	1.4
157.10103	4.4
158.97626	1.7
159.11694	16.0
161.13249	11.2
163.11131	1.8
163.14781	11.4
165.12825	2.9
171.11737	2.8
173.13245	16.5
175.14833	3.2
177.12874	2.3
177.16409	4.7
179.08472	1.9
179.14279	2.7
181.10168	2.1
181.12106	1.4
183.11725	2.3
184.07426	1.4
187.14830	10.3
189.12694	1.7
191.00058	3.6
199.23526	1.4
201.16423	4.0
205.10284	1.7
215.17935	2.1
220.75218	1.5
227.12735	2.4
233.22606	3.6
243.21077	28.8
245.13748	1.4
261.22119	100.0
263.23633	2.7
275.19946	1.6
277.21823	1.8
279.23117	5.1
303.23022	3.4
317.24832	1.7
335.25760	19.6
337.27585	1.8
353.26865	74.3
369.24161	2.5
377.26590	2.5
443.27982	2.1
451.21310	2.6
469.22397	2.3
469.33023	1.6
505.33115	1.6
543.36676	4.7
561.27057	5.5
561.37457	6.6
579.13898	3.2
579.37903	5.3
580.10785	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	579.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.9
54.67811	1.8
55.01860	3.9
55.05506	16.8
56.12420	1.8
57.03426	7.2
57.07066	6.2
65.03928	3.0
67.05500	73.4
69.03429	6.2
69.07065	13.0
69.28786	3.6
69.29191	13.2
71.04986	6.2
71.08627	2.6
73.02908	2.3
75.04472	1.8
79.05487	40.5
81.03428	8.5
81.07051	84.5
83.05006	2.1
83.08603	9.3
85.02903	6.6
85.06539	2.9
89.06026	5.9
91.05476	28.9
93.07037	54.9
94.07394	1.7
95.04964	5.0
95.08603	57.2
97.02907	3.1
97.06534	3.9
97.10163	4.0
98.98455	4.6
99.04414	3.1
100.98921	2.0
105.07024	26.3
106.49266	1.7
107.04990	4.2
107.08585	36.1
109.02885	7.5
109.06529	2.4
109.10149	37.0
110.03621	3.2
111.04424	2.3
111.08102	2.8
113.09688	2.4
114.08993	1.6
115.05471	1.8
117.06989	10.1
119.08585	18.4
121.06506	3.7
121.10139	32.5
123.08072	3.7
123.11690	17.4
125.09625	3.1
127.03928	6.1
129.06963	4.1
131.08560	22.2
133.06529	2.1
133.08578	2.4
133.10139	15.9
135.11703	26.6
137.09596	3.3
137.13289	6.6
141.07053	1.9
143.08525	2.8
145.10127	14.9
147.11658	13.6
149.09628	2.2
149.13252	21.4
149.23331	1.8
151.11176	2.9
155.01041	3.8
157.10126	3.6
159.11673	16.9
161.13231	9.1
163.11145	3.6
163.14798	12.8
169.10176	2.4
171.11702	3.4
173.13237	16.2
175.14737	4.5
177.12727	2.2
177.16409	5.3
184.07430	2.2
185.13297	2.3
187.14827	9.2
190.04115	1.6
191.00031	3.0
191.14259	3.0
197.13214	2.4
198.01427	1.7
201.16383	1.8
204.92584	2.0
205.15981	1.6
225.16693	2.0
233.22687	3.8
243.21078	29.3
261.22116	100.0
262.22498	3.2
263.22998	2.2
269.17523	2.2
279.23056	8.5
285.22296	2.3
291.19470	2.4
303.23160	2.5
335.25821	21.6
352.06757	1.7
353.26865	69.8
369.24463	2.9
377.26883	2.6
443.27917	1.8
561.26935	4.2
561.37061	2.0
579.37537	6.7
589.89514	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56723	1.0
56.05033	2.3
68.05039	1.1
70.06599	13.0
71.06108	1.0
72.08155	2.9
75.05617	3.7
75.27026	1.1
78.62052	1.0
81.29931	1.0
84.04512	2.4
84.08144	4.3
84.41401	1.1
86.09717	3.6
87.05582	10.8
88.03957	1.2
99.05571	3.7
101.07140	4.5
102.05522	1.6
103.05453	2.0
107.04976	1.5
110.07207	2.4
113.07122	7.5
115.05058	21.5
115.05821	1.7
120.08111	100.0
121.08418	1.3
127.05051	12.9
129.06589	5.5
129.10236	3.4
132.08142	6.0
136.07587	1.5
140.08170	1.3
141.06604	11.7
144.07770	1.1
146.09627	1.2
156.07713	1.8
168.07672	1.4
170.09212	1.4
172.07175	8.3
177.10234	14.5
180.07658	2.0
184.07230	4.7
186.08746	3.6
189.10132	5.9
196.07008	1.4
198.08739	10.4
201.09906	1.9
205.09830	6.1
215.11447	2.8
217.09799	7.4
219.11244	1.2
223.10765	9.3
229.09422	4.8
241.09395	1.8
243.10959	2.5
255.10880	5.1
262.11926	4.9
268.10510	1.2
272.13486	5.4
274.11963	1.5
280.12888	1.6
286.11453	1.2
288.13467	4.1
291.14532	8.6
300.13089	4.5
312.13037	2.9
319.14059	6.2
329.15729	4.8
337.15128	2.6
339.14151	10.4
345.15826	2.4
357.15265	6.4
362.18451	2.6
376.16165	2.0
388.16360	1.5
390.17932	2.4
394.17221	3.4
402.17709	1.7
458.21371	1.3
459.19769	3.1
465.20590	2.6
476.22382	8.7
486.21014	16.5
504.22137	5.4
553.04462	1.4
561.24139	4.9
579.25177	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	579.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.1
53.97768	1.7
55.01872	14.6
56.96594	2.0
62.78534	1.8
65.03940	8.0
69.03435	4.4
70.06596	9.7
71.59451	2.6
72.08157	3.3
79.05482	2.9
81.03397	4.3
81.07048	4.5
84.04507	2.0
84.08127	5.8
85.02894	7.9
86.09685	9.1
87.00822	3.7
91.05458	15.4
93.07040	4.1
95.04964	5.4
95.08609	3.4
97.02884	4.0
99.04462	1.8
103.05467	20.7
105.07032	3.5
107.04955	71.6
107.08607	2.2
108.05310	4.1
109.02846	3.1
111.04444	6.3
115.05452	5.8
117.06996	5.0
119.04933	4.7
120.08088	3.1
121.02868	100.0
121.03878	4.0
121.06514	6.9
123.04459	4.9
125.91371	1.9
127.03937	4.1
128.06224	3.0
129.07018	7.5
129.10245	4.2
131.04930	26.3
131.08562	14.5
133.06479	12.0
141.06996	2.8
144.05679	2.5
145.06494	12.5
147.08051	10.4
149.05983	91.1
153.06943	2.4
157.06480	10.4
159.02928	3.3
159.08066	20.8
161.09630	2.6
165.07034	4.8
167.03436	4.1
169.06473	3.8
171.08049	9.6
173.06026	2.5
179.08626	2.0
183.08113	2.9
184.07361	6.6
189.09151	2.9
191.08589	2.7
197.06039	4.0
199.07547	4.1
202.07700	2.2
207.08136	1.7
211.07571	7.0
218.06966	1.9
219.08060	5.1
221.09665	2.5
223.07581	4.5
225.09183	3.6
231.08054	4.4
233.09416	2.0
235.07538	7.3
237.09079	13.5
237.98975	2.1
247.07635	4.1
249.09167	6.1
250.09982	1.7
251.10594	2.3
261.09067	6.5
263.10623	3.5
287.10605	2.4
288.06287	3.2
295.46524	1.6
299.05466	3.1
316.05826	6.0
323.91360	1.7
331.08109	70.2
332.08585	2.3
336.11792	1.9
343.13062	2.5
355.13150	2.4
357.14932	6.3
365.15988	2.3
373.14340	4.1
383.16422	10.1
395.16364	4.9
429.52573	2.0
501.20517	3.1
513.20099	2.5
519.21838	8.7
531.21472	5.9
549.22748	14.8
561.22388	6.2
579.23761	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.8
67.05489	0.8
70.06584	2.4
71.59472	1.2
72.08138	1.1
77.90417	0.8
79.05470	1.7
81.07040	1.6
84.08127	2.1
86.09699	2.2
91.05453	4.0
93.07025	1.3
95.04948	3.9
103.05462	4.1
105.07011	2.2
107.04951	100.0
108.05296	2.0
110.07155	0.9
115.05453	2.2
117.06998	3.8
119.04921	3.5
120.08132	1.0
121.02888	2.0
121.06545	1.6
123.04411	3.2
128.06187	1.1
129.06963	5.6
131.04930	17.7
131.08553	2.6
132.05760	1.0
133.06474	11.7
141.06950	2.4
144.05685	2.0
145.06476	30.2
147.08055	1.5
149.05919	1.1
157.06471	12.1
159.08052	8.1
169.06456	5.8
171.07957	1.5
173.05858	0.9
175.07532	2.0
184.07352	3.2
187.07494	1.3
195.08069	1.0
199.07628	2.0
200.22345	0.9
202.07735	1.4
207.08002	1.3
211.07443	1.3
215.08592	1.3
217.10052	1.4
219.07993	1.4
220.08839	3.0
223.07477	1.7
223.11211	1.9
233.09657	2.0
234.10016	1.0
235.07590	1.0
235.11186	3.2
236.08342	2.0
237.08878	1.1
245.09698	2.1
247.07532	1.9
248.08395	2.0
251.10641	24.2
263.10678	14.8
281.11862	4.1
352.64182	0.9
579.22754	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.5
53.02213	0.7
53.03942	0.8
55.01860	0.6
56.96565	3.9
62.15069	0.6
67.05483	0.9
69.29350	6.6
77.65925	0.6
84.08118	0.6
91.05485	1.9
94.52771	0.6
95.04980	1.4
97.43988	0.6
97.55798	0.7
100.19109	0.6
105.07004	0.7
107.04957	100.0
108.05277	1.5
117.07028	0.6
121.02881	9.5
121.06483	0.7
129.06970	0.7
131.04912	2.3
133.06494	2.2
145.06514	3.3
146.02907	0.6
147.08041	1.7
156.79686	0.6
157.06447	1.3
159.08081	1.8
161.06012	1.6
170.91711	0.6
175.07611	1.6
184.07329	0.8
185.04871	0.7
199.06210	0.7
201.38304	0.6
203.05975	1.2
217.07510	0.7
251.10660	0.9
253.11176	2.2
255.09023	0.8
267.10217	8.0
271.12262	2.8
285.10153	5.0
295.12094	0.8
297.11209	39.4
313.13153	0.7
321.95840	0.7
347.15192	2.6
365.16342	7.6
383.17490	2.7
579.23126	1.5
592.13116	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01851	1.0
70.06586	1.0
70.33750	1.8
79.05496	1.9
81.07052	1.2
86.09698	0.8
87.52406	0.7
91.05478	2.5
95.04960	2.2
103.05460	2.1
105.07029	4.8
107.04954	100.0
108.05259	1.1
115.05460	1.8
117.07022	1.6
119.04917	1.9
121.02873	7.0
121.06487	2.1
129.07082	1.5
131.04919	6.1
133.06494	14.8
141.06992	1.0
145.06487	10.4
147.08060	1.4
149.05952	1.3
157.06520	4.9
159.08128	1.7
161.06010	0.7
169.06502	1.6
173.06010	0.8
175.07509	3.2
184.07387	1.0
185.69223	0.6
199.07689	0.9
219.08049	1.0
220.08807	0.8
221.09698	1.9
223.07578	1.6
235.11240	2.0
237.09134	1.5
245.09590	1.0
249.09122	1.0
251.10680	6.4
263.10675	4.5
267.10144	7.1
281.11847	1.4
297.11215	17.6
362.38104	0.8
367.17877	1.3
579.23077	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.5
53.03938	0.7
55.01871	0.9
56.96562	1.2
69.07061	0.5
70.04613	0.8
70.05029	1.6
72.81261	0.5
79.05489	2.8
81.07029	1.0
82.09476	0.4
91.05482	4.2
91.20573	0.4
93.07064	0.8
95.04977	2.9
103.05477	4.9
105.07037	2.1
107.04958	100.0
108.05285	1.7
115.05463	3.2
117.07020	4.7
119.04972	2.6
121.06521	2.1
123.04437	1.1
125.86171	0.5
128.06241	1.8
129.07011	5.3
131.04932	21.1
131.08540	0.8
132.05762	2.6
133.06497	6.9
141.06992	2.0
144.05724	1.3
145.06490	36.4
147.08098	1.0
149.06021	1.9
157.06509	11.1
159.08046	3.1
161.05934	0.5
165.07018	0.6
169.06500	8.3
169.07820	0.7
170.07132	0.7
171.08064	1.2
175.07576	1.9
178.07924	0.7
179.08533	0.7
181.06497	1.1
187.07555	1.1
194.07236	1.1
195.08185	0.7
200.31979	0.6
202.07884	2.5
203.08554	1.2
205.10193	0.7
207.08073	2.5
208.08920	0.8
211.07619	0.8
215.08516	1.3
217.10170	2.2
218.07350	1.6
219.08099	2.2
220.08873	2.9
221.09619	1.0
223.07541	2.0
223.11241	1.5
231.08125	1.2
233.09628	1.1
235.07495	1.1
235.11201	4.4
236.08301	2.0
237.09233	1.0
244.08849	0.6
245.09644	2.7
246.10242	0.8
247.07607	1.4
248.08263	2.5
249.09082	0.8
251.10698	23.5
263.10690	16.5
269.10663	2.8
281.11801	3.8
283.28644	0.5
287.11740	0.6
307.13766	0.5
315.37888	0.5
349.16986	1.5
367.17950	7.9
385.19241	2.3
408.20560	0.6
473.74469	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01859	2.3
63.02375	0.7
71.43625	1.5
75.18982	0.7
77.03935	1.1
79.05487	3.6
79.11780	0.7
86.09698	1.0
87.37816	0.7
89.52888	0.8
91.05491	5.6
93.07039	1.6
95.04974	4.1
103.05444	5.5
105.07030	12.6
107.04956	100.0
108.05286	5.7
115.05453	4.3
117.07014	4.6
119.04951	4.3
119.62207	0.8
121.02860	3.3
121.06506	3.4
122.03191	1.1
128.06227	1.7
129.06992	11.2
129.29570	0.8
131.04929	31.8
131.08542	2.1
132.05731	1.6
133.06493	47.8
135.04388	1.2
135.08022	1.1
141.07011	2.3
144.05693	0.8
145.06485	24.0
146.06943	1.0
147.08067	3.5
149.05994	5.5
153.06972	1.2
157.06499	17.0
159.08046	2.9
161.05957	1.0
165.06999	1.3
167.08481	1.0
169.06464	6.1
171.08049	1.7
173.01178	0.8
173.05975	1.0
175.07562	4.0
179.08478	1.5
181.06519	1.4
187.07558	2.5
190.07796	1.6
193.71129	0.8
194.07326	1.1
195.08054	1.9
202.07721	1.9
203.08636	1.2
207.08005	2.4
209.09451	0.8
210.06833	1.3
218.07401	1.1
219.07979	2.0
220.08861	1.9
221.09576	1.0
223.07603	1.5
223.57146	0.9
225.09138	2.0
231.08109	1.2
233.09616	1.8
235.07416	1.2
235.11185	1.4
236.08194	2.4
237.09088	3.7
237.31871	0.8
245.09535	1.7
246.10405	1.1
247.07584	1.0
248.08282	1.3
249.09120	2.5
251.10666	10.6
255.10278	1.3
261.09122	3.6
263.10712	8.6
267.10120	3.2
275.10626	1.5
277.12158	1.2
279.10245	1.1
281.11731	1.8
289.12259	1.2
293.11679	1.1
297.11160	1.6
301.11868	1.0
305.15143	1.0
319.13223	0.9
369.71436	0.9
381.14706	0.9
393.14987	1.3
531.21295	2.5
549.22595	1.2
579.23212	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	579.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.01863	0.2
56.05025	0.4
60.04512	0.3
61.02913	0.2
63.89097	0.2
67.05529	0.3
68.05032	0.2
69.03417	0.9
69.07040	0.2
70.06588	3.5
71.59893	0.3
72.08146	0.6
73.02924	0.2
73.66322	0.2
74.06087	0.4
74.96570	0.2
76.93578	0.2
79.05493	1.3
79.45071	0.2
81.03430	0.6
81.07043	0.3
83.96923	0.2
84.04502	0.6
84.08131	0.8
85.02901	1.7
86.09689	1.2
87.04398	0.3
91.05483	0.4
95.04961	2.3
97.02885	0.9
105.04513	0.3
107.04947	100.0
108.05259	0.6
109.02878	0.4
110.07154	0.3
116.07109	0.3
118.06567	0.5
119.04946	0.3
120.06517	0.3
120.08069	0.5
129.10210	0.6
130.06514	15.5
132.08093	0.4
133.06465	0.2
136.07600	0.3
137.05977	0.6
144.08087	2.0
144.11572	0.2
146.05989	5.0
154.06493	0.5
158.06081	0.2
159.09171	0.6
167.06985	0.8
170.06047	0.6
172.07544	0.3
175.07460	0.2
188.07050	11.3
200.07091	1.1
203.10126	0.2
205.07901	0.4
205.09731	6.7
206.09671	0.7
217.09669	0.3
221.11382	0.3
222.09099	1.1
234.09145	3.7
235.09784	0.3
236.10690	0.9
248.10793	1.0
276.10306	0.3
294.11224	7.0
311.13867	11.4
331.13065	0.3
367.15100	0.3
367.19736	0.3
393.20862	0.2
410.16129	0.3
427.18423	0.4
456.16547	5.6
473.19174	13.0
562.21008	0.3
579.18634	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1343
Annotation	tricin 7-(6-malonylglucoside)
Peak:m/z	Relative Intensity
53.03944	1.2
55.01870	1.2
57.03431	0.8
61.02917	0.7
65.03929	0.2
68.99778	0.7
69.03423	5.6
70.06583	0.6
71.01337	0.2
71.04974	0.7
73.02911	1.1
79.05472	0.1
81.03410	6.7
83.01325	0.2
84.08136	0.2
85.02895	9.0
86.09675	0.3
87.00822	3.7
91.03953	0.3
91.05470	0.2
92.02622	0.7
93.03411	0.6
95.04958	0.2
97.01958	0.1
97.02889	3.3
99.04446	2.0
100.76120	0.1
103.89690	0.1
105.01863	2.1
105.03468	0.1
107.04938	0.9
109.02866	4.8
111.04419	0.1
115.03923	0.2
116.07044	0.1
117.01862	0.8
120.08102	0.2
121.02868	0.8
127.03906	6.6
129.01811	0.5
137.02335	0.1
137.05978	0.2
140.04671	1.0
145.04948	1.8
147.02861	0.5
151.03896	1.1
153.05417	0.6
159.02875	3.0
163.03847	0.2
167.03386	8.8
177.05513	0.1
178.07613	0.1
179.03378	0.6
180.04106	0.1
193.04924	0.1
197.04507	0.2
198.05859	0.1
200.04628	0.1
213.03799	0.2
214.06120	0.1
215.07031	0.5
217.04912	0.7
227.03348	0.2
229.05009	0.1
231.04874	0.5
231.06931	0.8
232.07309	0.6
233.04359	0.2
242.05702	1.5
243.06522	2.9
245.04510	0.7
256.03683	0.1
259.05930	1.3
260.06812	1.8
271.05991	2.9
272.70300	0.1
273.03998	0.1
274.04721	0.3
275.09119	0.2
284.03076	0.2
285.07410	0.2
287.05469	2.2
288.06262	3.8
298.04703	0.4
299.05472	3.0
301.03598	0.2
302.07858	0.2
315.04999	0.3
316.05743	13.3
317.06000	0.3
330.07455	0.1
331.08081	100.0
332.08463	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	579.1346
Annotation	tricin 7-(6-malonylglucoside)
Peak:m/z	Relative Intensity
53.03944	1.4
55.01869	1.5
57.03435	0.9
61.02918	0.8
65.03909	0.2
67.05477	0.2
68.99487	0.1
68.99791	0.8
69.03423	5.8
70.00571	0.4
70.06586	0.1
70.69396	0.1
71.01319	0.1
71.04983	0.8
73.02544	0.1
73.02911	1.4
79.05453	0.1
81.03412	6.3
83.01343	0.2
85.02899	8.8
87.00824	3.9
87.04450	0.2
91.03952	0.4
91.05454	0.1
92.02615	0.6
93.03369	0.6
93.07024	0.1
95.04958	0.2
97.02890	3.0
99.03835	0.1
99.04449	2.0
103.03899	0.1
105.01859	2.3
105.07067	0.1
107.04922	0.2
109.02875	5.1
113.02337	0.1
115.03915	0.1
117.01846	0.8
119.08585	0.1
121.02863	0.8
121.06441	0.1
123.00851	0.1
123.04436	0.1
125.02373	0.1
127.03911	7.0
129.01851	0.6
137.05962	0.3
140.04677	0.9
145.04948	2.1
145.10262	0.1
147.02863	0.4
151.03899	1.0
151.05034	0.1
153.05437	0.8
159.02885	3.2
163.03877	0.1
167.03389	8.9
177.05450	0.2
179.03400	0.5
180.04112	0.3
183.04414	0.1
184.03603	0.1
184.16849	0.1
187.07454	0.1
193.04921	0.1
197.04393	0.2
200.04718	0.1
204.07925	0.1
206.05675	0.1
213.03853	0.2
214.06218	0.2
215.06966	0.5
217.04941	0.6
227.03406	0.1
227.07002	0.1
228.04138	0.1
231.04898	0.5
231.06909	0.8
232.07289	0.7
233.04388	0.3
242.05705	1.4
243.06514	2.8
244.07077	0.1
245.04396	0.6
256.03592	0.2
257.07950	0.1
259.06003	1.5
260.06769	1.5
261.23206	0.1
270.05197	0.2
271.05991	1.8
272.06567	0.1
273.03955	0.4
274.04605	0.4
275.09131	0.3
284.03143	0.2
285.07562	0.2
287.05475	2.2
288.06277	3.9
298.04630	0.5
298.46866	0.1
299.05499	3.1
300.06042	0.1
301.03351	0.1
302.07907	0.2
315.05042	0.2
316.05759	12.3
317.05954	0.2
330.07413	0.1
331.08084	100.0
332.08453	1.4
373.09210	0.2
404.11600	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	578.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43139	2.7
55.05507	13.2
57.03422	10.6
57.07077	3.4
59.62643	2.8
65.03934	2.8
67.05502	39.9
69.07055	10.2
69.29914	7.2
69.30322	25.4
71.42663	3.1
79.05489	36.0
81.07050	50.4
83.08604	10.1
91.05472	10.2
93.07042	41.1
95.04966	6.9
95.08602	42.2
97.06530	4.6
98.74059	3.3
105.07017	13.2
107.04946	8.0
107.08591	26.6
109.10130	14.2
117.07033	8.8
119.08585	10.5
119.26771	2.8
121.10146	14.9
131.08537	8.0
133.10135	5.4
135.11671	37.1
145.10146	25.2
163.11169	36.2
181.12219	7.7
227.12785	67.4
261.22208	3.9
283.15344	41.7
296.29700	5.0
296.33014	11.2
317.24741	3.7
335.25760	100.0
406.15695	3.3
543.36853	57.1
578.50073	25.0
593.37653	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	578.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.5
55.18293	0.3
57.07072	9.3
57.07332	0.4
58.06596	7.6
67.05457	0.9
69.03392	0.3
69.07066	3.2
70.06583	2.9
70.84540	0.4
70.84897	0.5
71.08627	3.9
72.08167	1.3
79.05458	0.7
81.07017	1.0
82.07344	0.3
83.08616	1.5
84.08131	0.4
85.10175	1.6
86.09682	0.5
87.04418	0.5
88.07620	2.1
89.05564	0.3
89.06025	3.9
90.06294	0.3
91.05449	1.1
93.07003	0.9
95.04917	0.3
95.08578	0.6
97.10137	0.8
102.09126	0.9
103.05427	0.4
105.06378	0.4
105.07017	4.0
106.07351	0.5
107.08586	0.7
108.08871	0.3
109.10120	0.4
114.09135	0.6
117.06925	0.3
119.08583	0.6
121.10120	0.3
131.08478	0.4
132.10155	0.7
133.08603	1.2
133.10094	0.5
145.10043	0.5
150.78331	0.3
159.11716	0.3
177.09882	0.3
190.56590	0.2
272.11185	0.2
296.33099	55.3
297.33420	0.6
322.09573	0.5
338.20682	0.3
340.35745	3.9
384.38406	1.4
428.41064	0.8
472.43637	0.8
516.46527	0.3
528.37488	0.5
546.38306	0.3
560.49066	0.5
578.49847	100.0
579.50146	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20654	0.5
55.05513	0.9
55.93531	0.6
56.05027	0.6
59.04995	5.6
60.04528	0.8
67.05508	0.6
68.05031	0.6
69.03428	2.0
69.32912	5.5
70.06589	7.2
70.91495	0.5
71.04999	0.6
72.08155	1.9
73.02913	1.6
73.06557	3.3
77.06045	0.9
79.05489	1.0
81.03413	1.1
82.41173	0.5
84.04523	1.3
84.08138	2.7
85.02899	2.0
85.99042	0.5
86.09705	4.3
87.04465	29.9
88.04011	0.6
89.06029	75.8
91.03981	0.5
91.05477	2.0
93.07067	0.7
95.04970	1.6
95.06060	0.7
97.02877	1.2
103.03940	100.0
103.07575	2.5
107.04953	14.6
107.07059	4.1
107.08565	0.6
109.02911	0.6
110.07150	0.9
112.87627	0.5
113.05981	1.2
116.07104	0.7
117.09151	2.5
118.04175	0.5
119.07068	0.9
120.08109	1.3
121.02876	0.7
121.04981	0.7
121.06503	2.4
121.08607	2.4
127.03945	0.7
129.10262	1.5
130.06532	1.6
130.08652	1.0
131.04973	0.8
131.07053	6.4
133.08598	51.7
136.07535	0.5
146.05981	1.2
147.06514	9.9
147.10185	0.7
157.00481	0.6
158.97511	0.6
161.11729	0.6
163.09691	3.5
164.07062	2.0
175.09647	4.7
177.11226	17.3
188.07063	1.1
191.09135	5.0
192.06544	3.3
207.12299	3.2
210.07602	5.1
219.12222	0.9
221.13821	3.4
226.03836	1.1
234.98955	0.6
235.11737	5.4
239.15028	0.9
250.11440	0.5
252.23466	0.5
269.15900	1.1
275.99124	0.8
279.14352	1.0
283.17508	1.3
294.11008	0.7
311.13779	0.8
317.06674	0.9
323.16833	0.9
327.20258	0.8
341.17929	0.6
378.02673	0.7
409.23792	0.5
446.21500	0.6
456.16605	0.6
515.31122	0.6
561.31097	3.5
578.33032	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
55.05510	7.4
56.05018	0.8
57.03441	9.3
57.03708	1.4
57.07082	1.2
58.06583	3.4
61.02915	2.0
65.03927	1.5
67.05503	33.6
68.05827	1.7
69.03414	0.9
69.07067	7.4
71.04986	1.0
71.60149	1.2
75.73491	0.9
79.05493	21.1
80.05805	1.1
81.03409	1.6
81.07054	30.5
82.07399	1.2
83.04974	1.0
83.08607	3.0
85.06535	1.1
86.06068	17.5
91.05472	7.9
93.07043	21.4
94.07373	1.1
95.04932	2.2
95.08607	25.3
96.08942	1.6
97.06551	1.7
97.10174	1.7
98.98470	13.2
103.88416	0.8
105.07008	6.1
107.08592	9.9
108.08913	1.2
109.10155	8.0
117.06983	2.1
119.06033	0.9
119.08562	5.8
121.10148	5.9
122.10463	1.3
123.08061	0.8
123.11694	1.7
126.78806	0.7
128.07031	1.3
131.08549	3.4
133.10118	3.9
135.11685	3.8
136.12076	1.1
137.13269	1.3
145.10123	2.5
146.08104	12.4
147.11714	2.0
149.13239	2.9
155.01031	8.9
156.01338	1.4
159.11673	1.8
161.13313	1.0
162.13506	0.9
163.14786	0.9
173.13278	2.0
184.07321	1.0
202.76993	0.7
243.21227	1.5
244.05887	4.7
244.21362	2.1
257.28253	0.8
261.22144	3.4
262.22543	3.8
318.25122	1.0
332.85205	0.8
335.25790	100.0
336.26120	10.3
381.21164	0.9
568.49762	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.5
55.01857	4.9
55.05508	42.4
57.03429	11.7
57.06813	3.9
57.07076	22.4
57.07320	4.9
58.21774	4.2
59.04988	4.2
64.85887	4.5
67.05502	89.8
67.08057	4.0
68.62168	3.5
69.03413	4.9
69.07069	39.3
69.45826	34.8
70.06586	8.1
71.04984	15.6
71.08621	9.0
72.08152	9.1
73.02898	9.7
73.06550	5.6
79.05489	67.9
81.03401	20.5
81.07052	97.0
83.04981	7.1
83.08600	26.7
85.06539	10.8
85.10165	5.5
87.04451	21.8
88.95886	3.9
89.06030	62.9
90.98585	4.7
91.05468	57.6
93.07034	73.3
95.04961	22.3
95.08598	68.5
97.06525	14.7
97.10157	17.9
99.08081	6.5
103.05460	12.8
105.07030	100.0
107.04954	8.5
107.07089	6.1
107.08594	41.3
109.06512	7.0
109.10130	34.3
111.08051	7.6
113.06049	4.3
114.09149	4.2
115.05551	5.2
116.06225	5.2
117.07015	19.4
119.08590	36.9
120.73633	4.4
121.06502	19.2
121.10131	32.7
123.08053	6.0
123.11678	10.8
125.09627	13.8
129.06995	16.9
131.08560	38.6
133.08612	19.3
133.10117	22.9
135.11678	14.7
137.09596	5.6
137.13269	4.4
143.08572	14.5
145.10094	28.6
147.08017	6.7
147.11655	23.2
149.09604	6.1
149.13255	10.3
155.08531	8.5
157.10123	11.3
159.11694	12.3
161.13213	19.1
165.12611	5.4
169.10143	10.3
171.11752	12.9
173.11882	5.6
173.13292	15.1
175.11079	4.3
175.14888	5.9
185.13228	7.4
189.11174	7.3
189.12718	4.9
193.12289	9.0
197.13409	4.5
205.15697	4.2
227.12814	17.7
261.22202	10.0
266.99197	3.8
267.15869	16.8
276.03107	3.9
285.21960	5.3
289.21445	6.1
296.32877	6.6
301.25302	8.1
303.23218	6.8
335.25912	15.2
363.25412	9.7
381.15366	4.4
435.32666	18.3
453.33466	19.3
471.34830	10.6
509.36661	5.9
527.37299	49.2
545.38110	42.0
559.39862	7.4
577.40894	10.4
578.49554	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	577.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	3.1
51.62526	3.3
52.63341	3.4
54.24953	3.1
55.01869	23.1
55.05509	30.1
57.03434	19.3
57.07065	13.1
59.55877	3.3
65.03930	6.8
67.05499	100.0
68.52768	3.2
69.03406	3.9
69.07059	28.9
71.04991	6.6
71.08638	6.3
71.60413	6.5
73.02919	4.1
76.38879	3.3
79.05489	76.1
81.03413	4.5
81.07055	89.7
83.04970	48.9
83.08622	21.5
85.06527	11.0
89.06033	9.0
91.05475	80.6
93.07035	96.1
95.04965	16.7
95.08595	51.1
97.06506	17.5
97.10172	10.8
99.04449	5.6
99.08086	6.4
105.07021	87.1
107.04961	14.3
107.08586	57.8
109.06536	3.9
109.10142	39.1
111.04430	80.4
111.05196	4.3
111.08062	38.9
115.05433	5.1
117.07037	19.4
119.08571	77.2
121.06484	8.8
121.10136	46.9
123.08074	10.8
123.11726	7.7
125.09633	9.2
129.07027	15.0
131.08568	52.3
133.08615	5.7
133.10114	59.8
135.08051	5.9
135.11694	48.4
143.08575	11.9
145.10085	44.2
147.08047	5.5
147.11681	56.5
149.09639	7.1
149.13292	17.7
151.11206	4.8
153.12740	43.3
155.08560	4.9
157.10107	10.9
159.11676	20.5
161.09572	3.6
161.13226	40.9
163.11157	58.4
163.14693	3.4
169.12445	3.2
171.11674	16.3
173.09621	15.2
173.13277	11.7
175.14822	20.2
177.12756	4.7
181.12227	54.0
185.13261	11.9
187.14769	3.4
189.11176	4.2
191.10649	59.7
191.14342	3.6
199.14836	5.3
209.11786	15.7
213.16325	4.4
215.06230	3.7
227.12756	82.0
227.14908	6.3
231.21048	9.6
241.19518	50.1
253.14218	5.2
259.20560	90.7
261.22125	3.8
269.17484	5.5
273.18442	7.1
275.19958	5.7
277.21664	4.9
283.15302	53.3
291.19562	15.4
293.21097	3.9
301.16437	70.1
315.23151	9.4
330.12152	3.3
333.24216	64.8
335.25620	4.9
426.51129	3.3
541.35132	9.6
559.36053	38.0
577.37274	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	577.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	11.3
55.01868	19.1
55.05258	3.6
55.05507	42.0
57.03444	15.2
57.07067	5.5
60.80486	2.0
65.03922	7.1
67.05499	100.0
69.03426	4.5
69.07063	29.4
70.05751	13.3
71.04984	8.8
73.02914	3.3
79.05487	94.1
81.03410	19.9
81.06574	4.8
81.07049	89.9
83.04970	31.7
83.08603	20.4
85.02890	6.4
85.06533	7.1
89.06012	3.0
91.05470	85.8
92.05784	4.0
93.07036	98.6
95.04969	26.3
95.08597	53.1
97.06522	18.8
97.10148	13.3
98.98486	4.5
99.04435	5.1
99.08060	4.4
105.07026	87.8
107.04948	30.7
107.08585	60.5
109.06493	12.5
109.10143	26.8
111.04442	23.0
111.08051	11.1
113.05979	3.0
115.05449	3.9
117.07007	35.1
117.56721	2.4
119.08574	79.6
121.06495	12.8
121.10127	55.0
123.08036	7.5
123.11712	7.2
125.05982	5.2
125.09617	10.2
128.06160	2.6
129.05490	3.3
129.07007	19.2
130.07722	4.2
131.04959	4.2
131.08560	45.3
133.06511	6.5
133.08589	3.4
133.10121	54.2
135.08038	9.2
135.11678	41.5
137.09625	4.3
139.11140	5.2
141.06926	2.8
143.08521	15.0
145.06456	6.8
145.10110	56.2
147.08018	8.4
147.11668	49.9
149.09616	11.8
149.13228	10.7
151.11176	4.2
153.12721	11.2
155.08521	10.9
157.10146	15.8
159.08081	3.4
159.11668	25.4
161.09567	7.2
161.13269	37.2
163.11156	37.4
163.14825	5.1
169.10153	5.9
171.11635	15.3
173.09596	18.6
173.13248	18.4
175.11169	7.0
175.14819	16.0
177.12677	6.0
181.10271	3.0
181.12210	14.7
183.11748	5.3
185.09619	2.9
185.13255	12.8
187.14784	4.3
189.11084	4.2
189.12665	2.8
191.10629	19.8
193.12274	7.0
197.13274	3.8
199.14818	9.6
209.11662	11.7
211.13138	4.4
213.16389	3.9
215.17874	2.9
220.36172	2.3
227.12723	23.7
229.14322	3.7
229.19519	3.0
241.19508	36.8
245.13789	2.8
257.18967	9.0
259.20544	64.6
261.21713	3.0
265.14355	16.4
267.15915	6.8
271.20786	2.9
273.18567	5.4
275.19968	15.4
277.21484	9.7
283.15390	42.4
286.67490	2.8
291.19504	11.9
299.14807	5.6
301.16434	43.7
301.21509	4.6
313.21729	2.9
315.23047	6.6
331.22763	4.5
333.24246	32.4
335.25491	6.0
349.23691	6.0
351.25064	4.3
421.30521	3.4
449.30200	6.8
467.31512	11.2
471.15817	2.5
485.32632	5.2
513.35559	7.1
523.33936	8.6
541.35211	33.1
559.36334	42.9
577.25433	5.2
577.37860	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
55.01855	6.6
55.05504	14.3
56.96553	1.0
57.03435	7.5
57.07067	3.1
59.74673	1.1
61.02915	2.8
65.03943	2.9
67.05501	39.5
69.03423	7.9
69.07063	13.7
70.06612	1.6
70.16194	1.0
71.04987	3.6
71.08604	1.2
71.59944	1.7
73.02906	5.3
75.04488	1.3
77.03953	1.7
79.05490	42.9
81.03418	9.1
81.07055	39.9
83.04953	5.3
83.08624	6.1
85.02902	7.3
85.06547	2.3
91.05475	48.6
92.05835	1.3
93.07042	55.5
94.07346	1.2
95.04969	7.7
95.08604	25.4
97.02898	4.1
97.06525	4.9
97.10168	4.0
99.04446	5.6
99.08094	3.6
103.03951	1.0
103.05453	1.2
105.04553	1.5
105.07025	47.8
107.04965	5.8
107.08593	34.5
109.02876	11.5
109.06532	2.8
109.10159	11.4
110.03663	4.2
110.10519	1.0
111.04476	6.3
111.08054	1.7
113.09622	2.2
115.05495	1.2
117.07014	14.3
119.08578	35.3
121.06469	2.1
121.10139	25.2
123.08078	2.0
123.11688	3.0
125.09654	1.9
127.03885	7.1
129.06999	8.4
131.08560	17.4
132.99542	2.8
133.10129	35.8
135.08066	2.7
135.11688	26.9
137.09628	2.4
141.06958	2.0
143.01968	1.3
143.08560	8.9
145.06476	1.2
145.10124	17.8
147.08032	1.5
147.11684	31.6
149.09650	3.8
149.13240	16.0
151.11154	2.4
157.10135	8.2
159.08031	1.4
159.11676	16.8
161.02979	1.6
161.13243	23.3
163.11195	4.0
163.14833	5.5
169.10153	3.1
171.11717	12.6
173.09576	1.2
173.13199	8.8
175.11206	1.3
175.14787	12.1
176.60045	1.1
177.12753	3.6
181.10091	1.2
185.13234	10.5
187.11276	1.4
187.14828	3.3
189.12767	1.2
191.00090	5.6
197.13188	1.4
199.14809	7.7
203.14314	2.1
209.01208	1.7
209.13441	1.3
213.16440	3.6
215.17912	1.3
217.15967	1.8
217.19498	1.9
227.12703	1.7
229.83133	1.0
231.17621	1.2
231.21104	5.9
241.19502	27.1
246.94658	1.1
257.18927	1.9
259.20563	76.2
260.20984	1.7
261.22107	1.2
267.15976	1.7
271.20789	1.4
275.19962	4.0
277.21567	7.5
291.19650	1.9
301.21695	2.4
313.21573	1.7
333.24161	9.7
349.23819	2.2
351.25278	100.0
352.25723	3.1
363.25162	1.2
367.22824	2.1
371.24350	1.2
375.25171	2.6
385.74933	1.2
394.45346	1.0
405.26492	1.2
449.20062	1.8
467.20721	2.6
541.34814	2.8
559.25385	5.1
559.35840	3.7
577.27777	2.7
577.36908	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	577.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29687	1.0
53.03928	3.3
55.01867	6.0
55.05507	10.4
57.03436	6.4
57.07070	2.6
58.85816	1.0
61.02914	2.1
65.03922	1.0
67.05498	31.0
69.03421	7.6
69.06773	0.9
69.07065	9.5
70.36070	3.7
71.04978	2.4
73.02915	7.3
77.17476	1.1
79.05482	39.5
80.05039	1.0
81.03419	9.5
81.06573	1.5
81.07052	31.2
83.04974	3.6
83.08608	6.8
85.02895	7.0
85.06519	3.0
91.05472	34.4
93.07037	54.6
95.04973	6.4
95.08596	21.9
97.02872	3.4
97.06524	3.2
97.10144	4.4
99.04478	4.9
99.08059	2.0
105.07021	38.6
107.04955	5.4
107.08581	28.9
109.02881	12.4
109.06491	2.0
109.10136	9.6
110.03637	3.8
111.04441	5.9
111.08058	1.2
113.09630	1.0
115.05450	1.4
117.07004	10.1
119.08575	33.5
120.08857	1.1
121.06499	2.2
121.10123	23.7
123.08028	1.5
123.11698	2.7
123.50499	0.9
125.09603	2.3
127.03925	6.3
128.06213	1.8
129.06982	8.1
131.08562	17.8
132.99498	2.6
133.09099	1.6
133.10117	32.6
135.08057	3.5
135.10664	1.7
135.11676	25.0
137.04964	0.9
137.09529	1.0
143.08554	6.6
145.10112	19.9
147.08026	1.2
147.11671	32.0
149.09564	2.4
149.13234	13.7
151.11105	1.5
157.10120	8.1
157.37703	1.0
159.11671	15.0
161.09541	1.4
161.13257	19.2
163.11134	3.1
163.14813	4.2
169.10124	1.3
171.11684	10.4
173.13228	8.8
175.11186	2.4
175.14816	12.7
177.12715	3.0
183.11749	1.3
183.74132	1.1
185.13274	8.1
187.14844	2.7
189.11191	1.1
189.12767	2.4
191.00131	5.7
199.14801	4.4
201.16380	1.6
203.14311	2.2
213.16359	3.4
217.15805	1.1
217.19534	2.3
229.14311	1.1
231.17421	2.1
231.21045	6.8
241.19473	25.7
243.21150	1.2
259.20554	73.9
260.20728	1.3
261.22147	1.6
275.19919	1.8
277.21652	10.1
291.19476	1.4
301.21570	2.2
315.23038	1.8
333.24246	10.5
349.23581	1.7
351.25262	100.0
352.25516	3.3
352.88135	1.2
367.22849	2.1
375.25186	2.4
449.19690	1.6
467.20667	2.6
485.21738	1.3
485.32651	1.2
536.82416	1.3
548.67371	1.1
559.25403	5.4
559.36346	1.7
577.26538	3.1
577.36365	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	577.222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.0
65.03929	3.6
65.60729	1.9
69.55275	15.2
72.43304	2.1
73.43188	1.8
79.05492	3.4
87.01214	2.0
91.05489	10.8
95.04961	2.3
98.21630	2.4
103.05466	8.6
105.07018	7.3
105.71298	2.0
107.04958	100.0
115.05458	6.8
117.07012	14.4
121.02871	58.5
121.06507	5.7
128.06232	5.9
129.07030	21.2
131.04933	28.4
131.08578	10.0
133.06490	8.3
141.07021	7.8
143.08513	2.6
144.05692	2.9
145.06494	62.7
147.08051	11.8
153.06946	5.4
155.05994	4.5
155.08566	6.8
157.06483	20.2
159.08067	18.1
161.06004	3.0
165.07005	7.6
167.08530	3.0
169.06508	12.9
171.08075	11.1
173.06041	11.4
175.07535	9.9
179.08507	5.2
181.06506	6.0
182.07120	2.3
183.08066	13.4
194.07251	3.2
195.08095	10.2
197.06007	9.3
197.09676	4.5
199.07576	6.6
203.08466	2.8
207.08069	5.6
210.06750	5.0
211.07544	62.0
211.09470	3.9
213.09088	14.1
218.07257	2.8
221.06033	2.9
221.09619	4.8
223.07507	6.9
225.05661	2.5
225.09119	7.3
226.09732	2.9
231.07993	3.6
235.07574	9.2
237.09085	9.4
249.09045	6.2
261.09146	3.3
281.09689	2.9
286.45514	2.1
299.10477	2.4
308.55014	2.1
311.10413	4.1
321.12518	2.8
324.11478	2.6
328.10895	2.7
329.11661	3.6
329.15170	2.4
339.13794	5.2
351.13635	2.3
355.13126	4.1
357.14844	90.3
367.13376	2.8
369.14777	29.8
371.12997	12.8
383.13211	2.9
423.16025	2.4
517.20325	12.8
529.20166	20.9
547.13123	3.5
547.21198	45.9
548.21405	2.8
559.21436	3.4
577.22253	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.8
57.32899	3.3
66.17059	3.2
69.33297	5.1
69.33636	34.7
79.05506	3.5
91.05485	16.4
95.04996	6.0
98.21528	7.5
103.05448	4.9
105.07085	4.4
107.04961	100.0
113.33543	3.3
115.05431	11.2
117.07001	15.3
117.63109	3.2
119.04961	10.3
119.51048	4.0
121.06506	9.7
125.85505	3.1
128.06239	11.8
129.07033	28.1
131.04929	54.4
131.08566	10.3
133.06482	8.8
141.06992	23.5
141.16159	3.2
143.08623	6.5
145.06474	47.9
147.08066	7.7
152.06264	4.5
153.07028	6.9
155.08626	7.9
157.06485	42.8
159.04437	3.8
159.08037	20.2
165.07034	10.9
166.07701	4.1
167.08559	9.2
169.06512	43.5
170.06923	4.8
171.08060	18.0
173.05943	4.8
173.09624	5.3
175.07597	7.9
179.08556	5.9
181.06493	10.5
183.08076	21.6
185.05898	4.4
185.09596	3.6
187.07578	8.1
193.06468	4.2
195.08090	13.1
197.06015	8.6
197.95601	3.2
199.07547	20.8
205.06517	3.5
207.08089	9.2
210.06854	3.9
211.07538	30.7
213.09109	10.4
218.07291	4.2
219.08026	7.1
223.07556	17.1
225.09189	5.0
231.07999	7.7
233.09709	7.8
234.06677	4.2
235.07506	16.4
236.79216	3.4
237.09084	9.6
242.49571	3.3
243.08203	5.5
247.07506	7.2
248.08250	7.0
249.09200	10.7
251.35300	3.1
255.08096	4.2
261.09076	11.7
268.08929	4.5
269.09811	3.2
273.09125	6.3
287.10669	6.1
295.11285	4.3
297.09241	4.2
299.10754	5.2
305.09628	3.7
307.11163	4.1
311.10678	6.1
315.10040	3.8
317.11868	5.3
319.10992	4.0
321.08951	4.9
321.12729	5.8
323.10568	4.9
333.12708	5.5
335.10513	6.6
337.12241	7.6
341.11911	6.8
349.12186	7.2
351.14069	4.0
353.11383	7.4
355.13220	8.3
365.15549	3.6
367.13385	17.8
368.59354	3.5
371.12860	11.3
379.13275	9.7
380.13702	4.2
381.15002	4.4
383.12683	6.2
391.13266	5.9
393.14990	6.3
405.14969	6.7
485.16476	8.0
499.18909	15.0
501.20749	5.3
511.18979	35.6
517.20251	17.6
523.19122	20.8
529.20123	67.7
541.20233	26.6
547.21387	21.3
559.21185	23.4
577.21832	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.01863	1.1
59.85150	0.9
65.03947	1.0
69.35593	10.5
70.06606	1.4
79.05480	4.0
91.05496	5.4
95.04957	4.2
103.05457	2.1
105.07048	1.2
107.04957	100.0
115.05456	6.2
115.28790	1.0
117.07079	5.6
117.07742	1.2
119.04935	3.3
121.02831	6.1
121.06522	2.9
128.06241	5.9
129.07013	16.6
131.04936	24.5
131.08575	2.1
133.06500	4.0
141.06970	7.8
143.04951	2.1
143.08649	1.6
145.06468	18.9
147.08070	4.1
157.06482	27.8
157.07751	1.5
159.08058	5.7
165.07072	1.4
169.06496	25.8
171.08089	3.7
175.07507	1.6
177.06978	1.2
178.07790	2.4
179.08527	2.5
181.06445	2.2
187.07520	1.5
189.06880	1.5
190.07748	1.9
191.08539	2.4
202.07803	4.5
203.08580	3.4
205.10187	2.3
207.08092	3.2
211.07463	1.0
215.08586	3.5
218.07278	3.7
219.08040	7.8
220.08937	1.2
221.09665	3.4
223.07559	1.3
229.10126	1.7
231.08057	6.9
232.08850	2.1
233.09615	4.7
234.06853	2.8
235.07544	6.8
236.08296	1.8
237.08989	2.7
239.08664	1.3
243.08018	3.5
244.09006	1.6
245.09711	3.0
247.07523	6.5
248.08389	1.6
249.09058	7.3
255.08047	1.9
257.09616	4.0
258.06909	1.6
259.07483	4.9
260.08331	3.0
260.60162	1.1
261.09100	17.9
262.09875	2.2
269.09613	2.0
271.07584	1.0
273.08987	4.9
274.09647	1.2
281.09528	1.9
284.08444	1.4
285.09146	4.3
293.09741	1.3
294.10529	1.5
302.11008	1.2
303.11676	2.1
306.10373	1.9
307.11145	3.0
310.09937	1.3
312.11676	1.2
315.11697	1.5
316.08838	1.0
319.11008	1.4
323.10632	1.4
325.12119	2.1
331.11157	2.8
335.10629	2.6
336.11453	2.1
337.12222	3.5
341.12033	1.8
343.13297	2.6
345.12622	1.6
347.10638	2.3
349.12213	3.2
351.09998	2.4
351.13757	2.8
352.11069	1.2
353.11948	7.1
355.13336	12.0
361.12302	3.8
362.13031	1.8
363.13913	1.9
364.11014	1.4
365.11685	3.9
367.13217	4.5
368.14264	1.5
373.12863	2.2
375.13663	1.7
377.11591	1.6
378.12375	1.7
379.13272	6.4
380.14111	2.8
389.11563	1.4
389.15948	1.4
391.13208	7.2
392.14160	1.8
393.14801	2.8
404.14044	1.4
405.14911	9.9
417.14865	8.7
423.16028	2.5
435.16058	1.5
453.17230	1.4
483.19922	1.4
493.17688	1.6
495.19989	1.1
499.19058	14.0
505.16953	1.1
511.19098	17.6
517.19885	2.9
523.18909	4.4
529.20490	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	577.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01861	0.8
55.05499	0.5
61.47270	0.5
62.18817	0.5
65.03934	0.5
67.05505	0.5
70.06582	2.5
70.78297	1.3
72.08152	0.5
79.05494	3.1
81.03403	0.8
81.07029	0.5
84.08147	1.2
86.09691	1.8
91.05458	2.7
93.07041	0.7
95.04971	3.8
103.05473	2.3
105.04515	0.7
105.07049	1.7
105.28176	0.4
107.04952	100.0
108.05283	0.9
110.07072	0.7
115.05463	1.3
117.07022	1.0
119.04940	1.7
121.02872	4.6
121.06476	2.7
123.04411	0.8
128.06219	1.1
129.06982	1.0
131.04926	7.8
131.05833	0.7
131.08551	0.4
133.06503	3.4
143.04932	0.7
145.06511	3.3
149.06006	0.6
157.06461	2.5
159.08093	0.9
165.06964	1.0
169.06523	0.7
171.08066	0.8
178.07755	1.0
183.08141	0.6
190.07742	0.6
191.08554	0.7
195.08162	0.9
199.07529	1.0
202.07811	2.3
203.08568	1.9
205.06461	0.6
206.07275	0.7
207.08121	1.0
211.07574	1.4
213.09207	0.6
215.08629	1.3
217.10106	0.6
218.07318	0.9
219.08046	2.1
220.08813	0.5
221.09589	4.7
226.07823	0.5
227.08678	1.0
228.09319	0.9
229.10219	1.0
231.08058	2.6
232.08836	1.0
233.09624	1.3
235.07513	1.4
240.09341	0.7
241.10095	0.5
242.07309	0.6
243.08025	1.4
244.08896	0.6
245.09665	1.8
247.07671	1.7
248.08385	1.1
249.09111	4.4
250.09894	1.7
253.10162	0.7
255.08107	1.5
256.08875	1.3
257.09543	3.3
259.07538	2.9
260.08450	0.6
261.09103	3.6
262.09717	0.5
265.10287	0.5
268.08820	0.5
269.09692	1.1
270.10376	0.8
271.07571	0.5
271.11221	1.0
272.08362	0.8
273.09061	3.4
275.10568	0.5
281.09692	1.0
283.07779	0.5
283.11188	1.6
284.08429	0.6
285.09085	5.5
286.09915	1.5
287.10709	0.8
291.10291	0.6
292.08987	0.7
293.09656	0.8
297.09155	1.0
298.09732	0.9
299.10657	4.1
305.09525	0.6
307.11310	0.7
309.12909	0.8
310.09897	0.6
311.10638	3.0
317.12033	0.6
319.11148	1.0
323.10687	1.2
331.11053	0.9
333.12704	1.0
334.09790	0.6
336.11481	0.6
337.12378	0.6
344.11893	0.7
345.12845	0.7
347.10760	1.5
348.11414	0.8
349.12396	0.7
351.13843	1.5
355.13306	1.2
357.14954	0.7
359.10446	0.6
361.12299	1.5
362.13049	1.0
363.09930	0.9
363.14133	1.2
365.11646	0.7
373.12518	0.7
374.13031	1.3
375.13947	1.2
377.11694	2.9
377.15863	0.8
378.12363	0.6
379.13254	6.0
380.14001	7.7
381.14883	0.7
387.13840	0.8
389.11649	0.7
390.12451	0.6
390.34641	0.7
391.13303	4.0
392.14032	4.5
393.14825	3.4
403.13361	0.9
404.14114	1.1
405.14862	11.7
411.16162	0.9
417.14828	1.7
423.16000	0.8
435.15823	1.0
471.15656	4.2
481.17841	0.6
483.15735	3.1
484.16351	0.6
499.19055	20.1
500.19382	1.1
511.18829	4.4
529.20081	2.1
547.20996	1.1
559.21130	0.7
577.22003	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23788	3.9
51.07813	3.7
55.05509	7.7
57.07072	7.0
59.06103	4.0
67.05502	10.4
69.03432	6.3
69.07048	9.8
71.08628	6.5
79.05511	6.4
81.07068	21.0
85.02900	17.6
86.09684	5.3
87.04459	12.3
91.05459	12.4
93.07029	10.1
95.08599	16.2
97.02898	11.8
105.07041	15.2
107.04967	11.6
107.08604	9.1
109.10143	8.1
111.11753	5.0
119.08551	6.2
127.03927	5.0
131.08591	4.9
133.10168	10.0
139.03717	4.5
145.10170	9.4
147.11765	6.8
159.11697	4.6
171.11705	5.4
184.07410	5.5
185.13234	8.5
201.16470	8.1
213.16460	5.9
227.18016	24.5
241.19563	12.3
247.29147	4.3
395.36679	26.9
413.37296	4.8
466.22247	4.1
511.06024	4.4
575.41455	100.0
576.41077	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	576.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28827	2.4
55.05513	5.6
56.05031	4.4
57.03430	4.5
58.99585	17.4
60.04530	4.5
60.19004	2.4
62.46219	2.0
65.03931	2.6
67.05512	12.1
69.07069	5.7
70.06592	31.2
70.52132	2.1
71.58083	3.1
72.08154	8.8
74.00662	5.2
74.06071	2.0
76.02231	86.8
76.03995	4.3
79.05499	12.0
81.03425	25.2
81.07056	25.0
83.06115	5.1
83.08623	2.7
84.04503	26.2
84.08150	10.8
85.04029	4.5
86.09701	16.7
91.05463	13.6
92.01698	3.1
93.07059	8.5
95.04980	7.2
95.08610	8.9
97.01122	2.8
97.06514	4.4
103.05452	3.8
104.10763	2.4
105.07037	13.7
107.04948	23.4
107.08602	5.3
109.06550	2.7
110.07170	4.5
113.03429	2.4
114.03738	2.7
116.01692	27.1
117.07047	5.9
119.08582	9.1
120.08115	5.8
120.76727	2.2
121.06552	11.0
121.10153	6.8
123.08090	3.8
123.11708	3.4
125.02967	6.3
125.09697	2.1
129.07007	3.8
129.10258	7.0
129.48541	2.2
130.04996	18.1
131.04887	3.8
131.08603	16.6
132.06561	3.6
133.06503	3.3
133.10165	4.0
135.08051	3.3
136.07501	3.2
142.03233	7.5
144.01143	14.9
145.06393	3.4
145.10138	7.2
147.08063	2.4
147.11726	6.4
162.02205	41.1
170.02747	4.0
177.03355	11.4
179.04851	100.0
184.07335	6.4
186.04628	2.4
187.14857	5.1
209.29808	2.0
215.04855	2.8
215.14348	5.0
216.03261	3.7
231.04286	2.3
233.05893	21.4
233.15399	14.5
237.09044	2.4
245.06091	3.4
251.16515	16.7
269.17252	3.9
291.06381	3.7
307.15747	2.6
308.09082	75.6
326.17993	3.7
329.68735	2.6
372.29224	2.4
394.17252	2.3
402.46133	2.2
422.62912	2.4
429.20398	4.6
477.46222	3.0
558.24304	2.2
587.52722	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	575.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.01883	1.1
55.05503	4.1
57.03436	2.2
57.07076	4.5
58.34475	0.9
61.02922	2.1
67.05487	3.1
69.03429	8.1
69.07066	8.2
71.08627	3.5
71.60264	1.6
75.35734	1.0
79.05498	4.8
79.05910	0.8
81.03432	2.0
81.07052	7.2
83.08639	6.2
85.02910	16.8
85.10162	0.9
87.04452	1.5
91.05467	6.4
93.07037	6.6
95.08620	4.2
97.02909	5.5
97.10182	2.5
98.98452	1.0
99.04436	1.2
103.47820	1.2
105.07022	10.8
107.04959	2.7
107.08616	3.6
109.02906	1.8
109.06486	1.5
109.10161	3.4
117.07075	1.4
117.45941	0.9
119.04949	1.0
119.08583	4.7
119.41118	1.0
121.06504	18.3
121.10137	3.2
123.08106	1.6
127.03918	3.9
129.07008	1.9
131.08589	3.8
133.06441	4.9
133.10162	2.7
135.08054	5.3
135.11758	1.2
143.08566	3.4
145.04915	1.2
145.10123	3.3
147.08070	4.6
147.11694	4.9
149.09601	2.3
155.08553	1.5
157.10152	2.6
159.08127	8.6
159.11719	1.6
161.09607	3.5
171.08023	1.3
171.11746	1.9
173.09602	2.2
173.13264	3.1
175.11205	14.7
181.10225	1.5
183.11691	1.6
185.09662	1.8
185.13301	3.6
187.11113	1.1
187.14841	1.8
189.12686	1.7
191.74150	1.2
197.13287	1.3
198.10506	2.1
199.11220	1.9
199.14822	4.0
200.12013	2.2
201.12730	18.2
201.14468	1.4
203.14516	1.2
211.14871	1.2
215.14317	19.1
219.13791	5.7
227.14293	11.3
229.15938	1.5
233.15344	17.0
233.17471	1.3
245.15430	4.7
263.80179	1.0
269.19064	2.3
287.20203	2.3
301.25296	3.9
315.27887	1.3
377.32111	4.8
395.33081	2.4
407.20807	4.5
413.34256	1.3
449.25397	5.8
575.39459	100.0
576.39832	3.5
597.93451	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	8.3
55.01855	10.6
55.05257	3.9
55.05505	52.4
57.03436	15.4
57.07055	7.1
59.04996	4.1
65.03933	6.3
67.05498	100.0
69.03408	6.3
69.07063	42.3
71.04986	20.8
71.08595	3.0
71.59135	2.9
71.59531	4.6
77.03884	2.4
79.05484	82.4
81.03387	15.1
81.07047	94.3
83.04974	16.6
83.08610	30.7
85.02902	7.4
85.06531	5.6
87.04442	3.2
91.05470	77.9
93.07036	82.0
95.04967	23.3
95.08597	75.8
97.06532	15.7
97.10146	22.1
99.04465	3.0
99.08077	9.3
103.51726	2.4
105.07018	71.6
107.04922	15.6
107.08584	48.1
109.06490	13.7
109.10144	33.6
111.08060	7.0
113.05957	3.4
115.05454	6.1
116.06149	2.7
117.07008	38.5
119.04945	3.5
119.08570	52.8
121.06488	8.1
121.10129	34.1
123.08047	12.4
123.11702	6.8
125.09604	17.8
127.07508	2.7
128.06224	6.3
129.07001	27.2
130.07730	4.6
131.08559	54.1
133.06485	6.7
133.10110	34.7
135.08041	15.5
135.11655	21.4
137.09587	7.0
139.11107	2.6
141.06941	7.1
142.07768	8.2
143.08527	28.2
144.09267	3.6
145.06477	3.5
145.10104	47.4
147.08044	8.3
147.11690	22.0
149.09596	10.5
149.13226	6.7
151.11130	5.5
153.06966	3.5
154.07680	3.5
155.08549	13.8
157.10117	24.5
159.08096	7.2
159.11690	35.4
161.09593	9.8
161.13245	10.8
163.11115	20.5
165.09102	3.3
165.12724	3.6
167.08588	5.5
167.10654	3.7
169.10114	17.0
171.11647	22.1
173.09587	9.1
173.11858	3.9
173.13235	18.3
175.11142	7.5
175.14861	3.2
177.12669	3.5
179.08525	3.7
181.10106	10.4
181.12193	4.3
183.11569	19.2
185.09578	3.5
185.13254	16.0
187.11234	4.3
187.14804	9.8
189.11192	10.2
189.12704	5.0
193.10258	3.1
193.12209	7.8
195.11636	7.7
197.13298	14.3
197.15082	2.7
199.11186	3.7
199.13185	2.6
199.14876	8.5
201.12698	3.0
207.11835	2.8
209.13313	7.8
211.14894	5.4
221.13300	3.4
223.14862	6.2
225.12805	2.9
225.16455	5.0
227.12732	26.5
228.13007	3.2
229.14194	4.3
237.16400	6.1
238.03777	3.8
241.19508	2.9
251.16331	3.6
257.18958	6.3
267.15936	4.2
269.18753	3.5
273.18436	9.6
275.20096	12.3
283.15359	4.3
283.20563	3.3
285.22076	6.4
291.19489	18.4
292.19983	4.7
297.22012	3.2
299.23691	8.6
301.21448	4.3
303.23276	3.1
321.21957	7.7
333.24005	3.9
349.23956	2.9
360.11038	2.9
361.23880	3.5
371.25980	2.7
415.29736	4.7
421.25751	9.3
433.30859	19.5
451.31982	16.8
469.33115	5.8
483.35370	3.3
499.34384	3.0
507.34344	9.2
517.35156	31.4
518.93402	2.8
525.35767	46.9
542.40887	3.2
543.36792	58.1
557.38885	18.7
575.38330	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	575.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10720	2.9
53.03946	7.6
55.01863	12.8
55.05262	4.4
55.05509	54.6
57.03440	16.0
57.07066	8.6
59.04992	4.2
65.03923	6.7
67.05499	83.1
68.24399	2.9
69.03429	10.5
69.07068	38.4
70.65951	4.5
70.66328	9.9
71.04993	10.7
74.75467	3.0
77.44176	2.7
79.05486	83.0
79.66846	2.7
81.03408	17.6
81.07049	89.2
83.04977	18.4
83.08617	25.7
85.06538	8.4
91.03920	3.5
91.05473	100.0
93.07037	70.5
94.00204	3.0
94.25361	3.0
95.04961	27.4
95.08603	54.7
97.02894	5.2
97.06537	18.9
97.10158	27.0
99.00807	9.6
99.08095	4.7
103.05489	4.6
104.87969	3.6
105.07021	80.6
106.55032	3.6
107.04958	21.0
107.08585	45.8
109.02885	8.5
109.06506	12.2
109.10168	21.9
111.04387	5.3
111.08089	9.3
112.08818	3.0
113.05954	3.9
115.05488	4.6
117.06998	36.1
119.08565	55.8
121.06490	11.5
121.10142	25.1
123.04419	4.6
123.08090	9.2
123.11700	4.2
125.09612	19.6
128.06168	6.1
129.06995	17.6
131.08551	43.5
133.06516	3.7
133.10120	66.9
135.08121	14.4
135.11679	22.0
137.09602	7.6
139.07552	3.6
139.11194	5.0
141.06967	4.3
143.08571	25.1
144.09227	3.1
145.06488	5.9
145.10129	39.6
147.08032	6.5
147.11678	39.7
149.09605	11.4
149.13252	8.9
151.11165	9.8
151.61938	2.9
153.09093	5.8
155.08560	12.6
157.10117	23.0
159.08101	3.5
159.11694	27.4
161.09610	16.5
161.13266	27.3
163.11159	12.5
163.14838	4.1
169.10135	8.1
171.08131	7.9
171.11703	18.8
173.09666	6.7
173.11884	4.1
173.13249	17.3
175.11214	5.2
175.14827	10.8
177.12796	5.3
179.10686	7.3
179.14241	4.2
181.10063	7.0
181.12289	4.8
183.11754	6.9
185.09566	5.2
185.13260	12.7
187.14754	5.2
189.09071	8.5
189.11182	8.5
189.12773	4.1
193.12202	5.2
197.13280	7.0
199.14671	4.7
201.12778	3.8
209.11615	5.5
209.13382	3.3
215.17827	2.8
220.02779	10.3
223.46484	2.8
225.11223	10.6
227.12656	18.4
231.21150	6.9
238.03769	15.5
241.19469	20.7
244.50487	3.5
245.13686	4.1
251.28485	3.3
257.19046	13.0
259.20596	50.7
267.15891	10.2
273.18469	12.0
275.20053	37.6
281.13812	3.9
283.15521	5.4
285.22107	7.8
289.18152	4.5
291.19623	16.4
299.14917	30.3
313.21616	12.5
331.22739	6.1
333.24356	22.1
349.23923	6.1
365.23233	3.5
419.29315	7.6
432.16626	8.4
437.30460	5.3
447.28799	9.8
450.18231	5.0
455.31760	4.0
465.30008	23.1
473.33109	4.1
483.31085	19.1
511.34094	13.7
513.35345	7.5
521.32605	4.3
529.35052	13.9
539.33600	41.3
543.36896	4.2
547.35242	5.9
557.34845	49.2
575.35614	44.1
575.49512	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	575.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97250	3.5
53.49413	3.7
55.01870	8.0
55.05504	7.6
57.03426	9.9
58.03170	4.1
67.05502	34.6
69.07066	11.5
70.42551	15.1
79.05493	26.4
81.03410	12.1
81.07059	32.9
83.08614	8.2
85.02910	4.6
91.05486	41.9
92.02700	4.5
93.07043	40.9
95.04992	7.3
95.08598	26.9
98.98466	57.3
105.07042	37.7
107.04946	30.2
107.08595	25.8
109.02870	7.8
109.06512	5.2
109.10133	8.6
115.05441	5.8
117.07022	18.5
119.08569	38.3
121.10139	21.4
129.05403	5.5
129.06985	12.3
131.04974	4.8
131.08594	20.1
133.06477	9.3
133.10138	23.1
135.11697	13.6
141.07039	5.3
142.19164	4.4
143.08560	9.6
145.06487	9.7
145.10126	18.0
147.08058	4.6
147.11684	26.3
149.09634	5.9
149.13240	8.5
155.01042	40.7
157.06577	6.1
157.10162	13.5
159.11725	14.2
161.13275	16.0
163.14859	7.0
171.11729	11.0
173.02081	4.7
173.13281	12.4
175.11110	5.6
175.14891	12.3
185.09760	4.7
185.13321	7.0
199.14697	5.8
215.18025	4.8
217.19568	7.4
241.19531	41.3
259.20520	42.6
275.20154	4.6
317.06363	4.5
333.24240	100.0
413.20999	8.8
575.26697	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	575.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.0
55.01867	19.3
55.05260	3.1
55.05506	38.8
57.03433	17.6
57.07059	2.8
59.04979	2.3
60.35939	1.9
65.03924	4.3
67.05499	69.6
69.03412	5.3
69.07068	29.4
69.52366	7.0
69.52789	8.1
71.01340	3.5
71.04982	10.5
79.05487	84.2
81.03390	9.5
81.07050	85.4
83.04971	14.1
83.08613	16.4
85.06551	4.1
87.04465	2.4
89.06027	3.1
91.02232	1.7
91.05469	71.2
91.52608	1.8
92.43413	1.8
93.07034	76.4
93.39246	2.1
95.01373	1.9
95.04967	29.4
95.08596	63.1
97.02864	5.9
97.06517	21.9
97.10162	14.9
99.04449	6.5
103.05450	4.5
105.07023	75.0
107.04951	28.0
107.07858	3.3
107.08586	64.7
109.06503	16.0
109.10139	19.9
111.04417	2.7
111.08087	5.5
115.05428	4.5
116.06216	2.2
117.07008	36.1
119.08574	53.2
121.06475	11.7
121.10130	30.6
123.08057	8.0
123.11689	8.0
125.05992	3.5
125.09629	11.4
128.06241	3.8
129.07024	14.1
131.08557	28.4
133.06465	4.5
133.10117	37.3
135.08046	11.8
135.11688	45.4
137.09569	6.2
141.06900	2.1
142.07718	2.5
143.08546	11.8
145.06485	4.0
145.10112	50.4
147.08003	3.6
147.11668	27.6
149.09624	22.8
149.13203	6.9
151.11113	5.5
153.09129	2.5
155.08548	2.4
157.10150	11.8
159.08049	2.4
159.11687	16.7
161.09543	3.9
161.13237	12.2
163.07504	2.5
163.11159	50.2
165.12781	2.9
169.10078	4.9
171.10260	2.5
171.11624	9.4
173.09590	3.8
173.13237	7.4
175.11246	4.7
175.14853	4.5
177.12816	2.6
181.12190	11.9
183.11646	5.2
185.13307	4.4
189.11224	5.1
189.12810	2.8
191.10677	3.3
193.12247	2.3
197.13196	2.3
199.14839	4.1
209.11642	5.0
215.17897	2.2
219.13774	1.9
219.17319	2.3
225.11176	5.4
227.12756	100.0
229.19579	3.6
231.21130	3.2
239.17874	2.6
241.19508	11.7
247.20750	3.2
257.18967	12.2
259.20563	19.9
267.15887	4.6
273.18512	4.5
275.20047	71.9
276.20398	2.6
283.15369	28.2
291.19473	7.6
293.20871	9.4
299.14825	16.4
313.21533	3.6
331.22601	3.9
333.24173	9.2
333.37711	1.9
349.23654	30.7
432.17563	2.4
483.30981	4.1
539.33972	5.1
557.34827	38.1
575.35895	26.7
575.80377	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	575.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56759	1.6
53.03943	2.3
55.01870	6.6
55.05499	1.7
57.03436	1.6
65.03938	1.6
67.05495	4.7
69.07056	3.3
69.85487	3.9
69.85904	6.1
70.06591	5.9
79.05483	7.9
81.03457	2.2
81.07047	3.6
81.61646	1.6
84.08147	3.0
84.25383	1.7
86.09702	5.0
91.05485	9.3
92.34026	1.6
93.07059	4.5
95.04961	3.6
95.08616	2.7
103.05473	4.1
104.10758	1.7
105.07056	5.5
107.04957	100.0
107.08593	1.6
111.04459	2.0
115.05450	11.5
117.07028	25.6
119.04967	5.1
119.08596	1.8
120.25780	1.7
121.02878	6.6
121.06533	8.7
128.06227	5.2
129.07002	4.7
131.04932	16.0
133.06503	5.7
145.06482	18.4
147.04404	3.7
147.08141	2.0
148.68399	1.5
155.04881	4.1
155.06079	2.6
157.06467	10.7
159.11693	2.3
161.06003	2.0
165.07005	2.4
171.04480	2.5
173.05984	20.4
173.94965	1.6
178.07872	1.6
179.08582	2.4
183.04356	3.1
184.07330	3.8
185.05927	10.8
189.82526	1.6
190.07849	2.3
191.08612	2.1
195.08142	2.1
202.07747	2.8
203.08585	4.0
205.06369	2.3
207.08037	3.0
215.08493	2.4
218.07202	4.1
219.08119	5.6
220.08759	2.4
221.05997	2.5
221.09586	4.1
229.10078	2.9
231.08061	10.8
232.08806	2.5
233.09648	4.6
234.06787	3.3
235.07564	7.0
237.09151	6.1
239.08688	1.8
243.07941	3.6
245.09627	4.0
247.07550	8.0
249.09213	7.3
255.08049	2.5
257.09720	4.1
259.07584	9.5
260.08374	4.9
261.09070	14.9
262.10104	2.0
263.10675	2.3
269.09409	2.1
273.09079	3.9
275.06992	2.0
275.10449	2.3
277.08441	2.8
285.09103	10.0
293.09644	1.7
305.09680	2.8
318.10489	1.8
319.10977	2.8
322.09937	2.1
323.10739	2.8
334.09830	2.2
335.10715	4.5
343.13168	5.1
347.10730	3.6
348.11472	2.4
349.12122	4.2
349.23318	1.9
353.11621	4.6
354.12207	2.5
355.13547	10.1
359.10733	2.3
361.12265	3.5
365.11859	4.8
366.12497	2.6
367.13211	4.4
371.10339	2.1
374.12607	1.8
377.11588	4.7
378.12387	1.8
379.13199	4.6
389.11758	5.1
391.13098	3.7
403.13098	2.7
407.12888	4.3
409.14255	3.8
410.70352	1.7
415.13409	3.6
421.14279	14.7
433.14386	14.0
483.15250	2.0
497.17633	7.9
499.19373	3.5
509.17770	9.0
515.18433	19.1
521.17322	2.3
527.18646	37.0
539.18719	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	575.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.7
55.01867	3.8
56.96561	4.8
65.03928	2.3
67.05498	2.6
69.03433	1.9
69.74519	7.9
70.04076	7.6
70.06588	9.1
72.08150	2.0
79.05489	6.0
81.03436	1.9
81.07051	2.3
83.08594	1.6
83.11727	1.1
84.08157	2.7
85.02901	1.3
86.09709	4.6
87.27575	1.1
91.05481	7.2
93.07045	2.7
95.04977	13.4
95.08593	1.8
97.02875	1.1
102.56227	1.0
103.05451	2.2
105.07069	2.6
107.04955	100.0
108.05270	1.5
110.07138	1.3
111.04433	1.9
115.05437	3.4
117.07038	3.7
119.04964	4.0
119.08530	1.7
120.08056	2.6
121.02877	30.4
121.06507	4.4
123.04461	6.5
129.06966	3.2
129.10231	2.4
131.04922	9.0
131.08562	3.3
133.06500	2.9
135.04411	1.2
141.07013	2.9
145.06485	13.7
147.04428	1.6
148.39232	1.2
149.01225	1.5
152.06239	1.4
154.94017	1.3
155.06047	1.6
157.06479	6.3
159.08081	2.4
159.11736	1.4
165.07030	2.8
169.06512	4.4
171.04460	1.5
172.95192	5.5
173.05992	3.5
175.07541	1.5
178.07767	1.8
181.06500	2.6
183.08078	2.2
184.07361	1.4
187.07559	2.1
190.96286	3.2
193.10121	1.4
197.06003	1.8
199.07515	2.1
202.07780	1.7
203.08571	1.8
207.08040	1.6
211.07556	4.7
215.08617	1.9
218.07356	2.0
219.08080	5.2
221.05905	1.8
221.09630	2.4
223.07593	1.4
226.07857	1.3
227.08643	1.7
228.97821	2.4
231.08131	3.8
233.09541	1.4
235.07526	3.7
237.09262	1.5
239.08592	1.6
243.08087	1.9
245.09589	3.2
246.99051	1.4
247.07607	5.5
248.08415	3.2
249.09119	3.0
250.09979	1.6
253.10262	1.4
255.08078	2.8
256.08798	1.6
257.09631	2.5
257.19092	2.6
259.07565	2.3
261.09140	4.7
262.10205	1.3
269.09778	3.2
271.07718	2.1
273.09143	2.7
275.19934	2.5
281.09698	2.8
284.08304	1.5
285.09451	1.3
297.09116	1.5
299.10617	2.8
305.09763	2.7
309.17346	11.4
318.10193	2.0
319.11087	3.3
322.09866	1.9
326.14532	1.6
327.10245	1.7
327.14682	3.1
327.18408	7.2
329.14160	2.7
330.10516	1.9
331.11118	4.5
332.11850	2.2
333.12668	1.9
334.09842	1.8
335.10620	1.7
337.12222	1.9
343.11240	2.0
344.12091	1.5
345.12299	1.4
347.10577	3.1
347.15143	6.3
349.12305	8.6
353.11853	1.9
355.13406	2.3
357.12631	1.3
359.10687	2.3
360.11398	1.8
361.12051	2.5
362.13202	1.9
363.13785	2.3
365.11780	2.1
367.13205	3.5
367.17755	2.1
373.12366	2.8
374.13235	1.6
375.13989	5.6
377.11597	7.0
378.12753	2.4
384.11093	1.3
389.11783	2.4
390.12399	2.0
391.13290	4.3
393.14880	1.9
395.12756	2.5
403.13220	11.3
407.13370	1.3
409.14392	2.1
415.13315	3.9
421.14249	14.5
433.14398	3.3
435.14288	1.2
451.15775	1.6
465.13696	1.7
469.18439	2.4
471.15906	3.5
479.16434	2.5
481.17661	3.5
483.14975	9.3
491.15857	1.5
497.17490	45.0
498.18219	2.6
501.15649	2.1
509.17270	9.0
515.18536	17.2
527.18933	7.9
531.24847	2.9
545.19391	4.0
557.19574	3.2
575.19415	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	575.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.4
55.01866	14.9
61.28465	3.9
63.99235	3.1
70.06594	5.1
70.62291	3.0
70.84757	10.3
79.05501	9.5
86.09711	7.0
91.05481	27.7
93.08865	3.8
98.98473	3.9
103.05490	12.9
105.07026	10.4
107.04935	24.6
115.05437	50.6
117.07011	60.3
117.12124	3.5
119.04943	8.7
119.08581	4.1
121.06587	4.1
128.06218	31.9
129.06982	49.7
131.04916	27.7
131.08574	10.0
133.06488	7.9
141.06956	30.5
143.04922	10.7
145.06470	100.0
147.08066	12.0
152.06226	8.4
153.07018	6.7
155.04926	10.4
155.06056	4.9
155.08554	8.8
157.06477	66.5
158.80449	4.0
159.08029	17.0
161.06026	7.7
165.07039	14.6
169.06482	85.0
169.07813	5.0
169.70915	3.7
171.04416	20.3
171.08051	16.7
173.05968	34.4
178.07784	6.0
179.08539	11.7
181.06555	8.9
183.04422	17.9
183.08107	11.4
184.07372	3.2
185.05928	29.3
187.07532	4.0
189.06989	4.6
190.07753	4.2
191.08565	9.3
195.08090	11.3
197.06004	20.9
199.07556	10.1
202.46198	3.9
203.08607	4.6
206.07201	6.0
207.08072	7.2
210.06674	5.4
211.07538	61.1
213.09114	14.9
215.08496	6.0
218.07243	7.8
219.08040	17.4
221.06140	6.1
221.09735	5.8
223.07512	21.0
225.09180	5.0
231.08107	12.0
232.08856	5.3
233.09641	5.1
234.06706	5.7
235.07536	24.0
236.08214	4.6
237.09058	12.0
238.09904	9.7
247.07617	16.8
248.08328	3.6
249.09068	8.0
259.07516	7.5
260.08182	5.9
261.09061	10.9
268.08759	3.8
275.07031	5.1
277.10272	4.0
281.09537	3.9
282.10538	7.5
289.10281	4.1
293.09540	7.7
294.10577	6.1
295.11285	5.1
297.08948	5.6
299.10709	4.5
305.09552	9.1
306.10553	6.5
307.11160	5.9
310.09778	5.0
318.10519	4.1
319.11240	10.8
321.09158	10.2
322.09940	7.6
323.10703	8.6
325.12192	5.7
327.09912	5.1
331.11240	6.9
333.09189	6.5
333.12805	4.0
334.09711	6.4
335.10623	13.5
336.11435	5.9
337.12244	11.5
339.10172	9.4
341.11780	8.1
343.13284	7.1
347.10541	8.4
348.11615	7.2
349.12247	9.7
351.10150	11.3
352.11157	4.0
353.11655	21.2
355.13428	17.4
360.11304	3.9
361.12259	7.0
363.10156	5.9
365.11694	19.3
366.12570	4.0
367.13254	11.0
369.11237	10.3
371.12881	31.1
377.11728	10.1
379.13403	4.6
380.13940	3.8
381.11157	14.6
383.12778	32.4
385.32901	3.7
389.11850	5.8
395.12833	11.1
407.13095	8.1
429.93906	3.7
471.15805	7.5
483.16083	4.8
485.17508	6.7
486.14752	4.2
487.19019	4.5
497.17422	16.3
499.19412	15.9
509.17313	22.1
511.19055	22.1
515.18463	27.4
521.17395	8.2
527.18597	58.0
539.18536	24.9
545.19550	11.7
557.19556	16.4
575.20667	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	575.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.6
55.01874	10.1
55.05532	1.6
56.96568	1.7
57.07064	2.8
64.30229	1.2
65.03939	1.7
67.05501	4.8
69.03426	1.5
69.07071	2.0
69.35703	2.9
69.36101	12.1
70.06572	4.3
72.39867	1.2
77.03912	1.3
79.05491	6.0
81.03419	2.2
81.07050	3.2
83.04990	2.1
86.09694	3.5
91.05489	16.1
93.07040	8.5
95.04971	9.1
95.08602	3.6
97.10172	1.5
100.22910	1.2
103.05488	10.2
105.04495	1.7
105.07038	5.6
107.04958	100.0
109.10173	1.3
115.05456	20.3
116.06290	1.8
117.07032	25.3
119.04957	7.8
119.08564	2.3
119.52229	1.1
121.02895	6.4
121.06499	17.5
121.10162	1.7
123.04448	2.3
128.06258	6.2
128.43414	1.3
129.07010	15.3
131.04926	16.6
131.08566	6.5
131.43504	1.3
133.06503	6.7
135.04459	2.3
135.11659	1.5
141.06984	11.5
143.04936	2.6
145.05402	2.4
145.06497	38.0
147.04425	2.1
147.08080	4.3
148.40195	1.5
149.05983	11.4
151.10306	1.3
152.06201	1.5
153.07008	3.1
155.04926	3.3
155.06078	2.3
157.06493	24.2
159.04474	2.2
159.08040	10.9
159.11694	1.6
161.05937	2.3
165.07002	4.7
167.08572	2.3
169.06485	24.0
171.04442	4.1
171.08022	6.2
173.06003	13.8
178.07744	3.8
179.08578	3.3
181.06517	3.2
183.04463	2.6
183.08107	2.3
185.05989	9.4
187.07559	2.9
189.07057	2.1
190.07820	2.4
191.08548	3.5
194.07216	2.3
195.08026	3.9
197.06033	2.1
202.07791	4.9
203.08536	3.7
205.06500	4.7
207.08104	4.9
209.06062	1.9
211.07503	8.4
213.09186	1.6
215.08513	4.1
218.07173	6.1
219.08061	11.6
221.05983	4.7
221.09634	4.0
223.07542	8.5
225.09003	2.4
231.08037	8.1
232.08846	2.5
233.06006	3.2
233.09637	3.3
234.06839	3.8
235.07541	11.0
236.08313	2.6
237.05600	1.9
237.09111	4.8
243.08034	4.9
244.08911	2.1
245.09695	2.6
247.07568	9.6
248.08360	4.0
249.09161	7.9
250.09895	2.0
251.06894	6.1
255.08151	3.3
259.07541	8.0
260.08365	3.2
261.09027	8.1
262.09830	3.1
263.06976	2.6
269.09775	2.3
271.07535	2.7
272.08307	1.8
273.09125	2.6
275.07022	2.0
278.11105	1.8
281.09497	2.9
285.08984	1.5
287.10760	1.8
289.10162	1.4
291.11798	1.7
292.08853	2.3
293.09686	2.4
294.10623	2.3
295.11115	1.9
297.09222	1.6
300.09198	1.8
303.11688	1.7
305.09637	3.8
306.10406	2.8
307.11163	4.3
309.09293	1.6
315.11710	1.7
318.10330	3.1
319.11215	3.9
321.09253	2.6
321.12784	1.9
322.09720	1.8
323.10611	4.6
325.12286	2.9
327.10107	2.5
329.09665	2.1
331.10989	3.6
332.12082	1.7
333.12894	2.8
334.09702	3.0
335.10690	5.6
336.11481	3.1
337.12289	2.8
339.10284	3.5
341.11981	2.6
342.10446	2.1
343.11215	3.9
344.11615	2.0
345.12799	2.5
346.09903	3.2
347.10666	4.2
347.91437	1.5
349.12183	5.1
351.10178	4.8
352.10965	3.0
353.11676	8.5
354.12308	2.0
355.13330	4.7
359.10580	3.8
360.11426	3.0
361.12344	7.2
363.10059	2.8
363.14069	2.0
365.11853	7.0
366.12766	1.9
367.13803	6.4
369.11108	3.8
371.13330	6.7
373.12128	4.9
374.13208	1.5
375.14087	1.9
377.11819	6.9
379.13336	9.3
381.11127	3.4
383.13004	7.1
389.11734	7.6
390.12506	2.8
391.08664	1.6
391.13184	6.4
393.14951	1.7
395.12671	7.3
402.12225	2.0
403.13116	7.0
407.12717	13.5
409.14255	7.4
413.21564	2.3
415.13522	1.8
419.12869	5.2
420.13501	1.6
421.14282	8.7
433.14328	5.2
437.14850	1.5
439.15973	1.5
445.14615	1.8
471.15976	1.9
481.18076	2.5
483.15451	2.7
485.17279	1.9
497.17413	5.7
499.19131	3.0
501.16443	2.2
509.17432	8.0
511.19055	4.9
515.18469	12.4
521.17145	3.1
527.18622	17.7
539.18665	5.3
545.19324	3.4
557.19537	2.7
575.20178	4.4
575.50012	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	575.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32448	0.8
56.16334	0.8
56.96287	1.5
56.96557	20.4
70.06575	1.1
70.66329	1.8
70.66661	0.9
74.97603	7.8
76.26165	0.8
84.96025	2.2
86.97575	2.3
92.45171	0.9
92.98647	1.0
95.04943	1.7
98.97575	19.6
107.04946	95.6
108.05246	1.3
110.97524	4.9
114.97014	5.0
116.98619	15.2
128.98593	9.2
131.00188	1.2
132.98077	16.9
134.99655	6.0
140.00235	0.8
140.98628	0.9
143.00156	4.1
145.01674	1.2
146.06029	1.5
146.99629	7.4
148.48039	0.9
150.99135	48.3
152.98581	1.7
158.99666	3.5
161.01198	8.3
162.99184	1.7
163.00647	1.5
163.02791	2.2
165.00754	1.3
169.00197	23.3
170.99648	7.3
174.00685	1.1
174.99135	3.7
177.00726	5.2
179.02225	1.1
181.00383	1.0
181.01727	5.3
181.03265	1.1
182.99638	1.0
189.00685	9.1
190.98671	5.7
191.02353	0.9
193.00194	22.9
199.02795	1.8
201.00600	5.5
205.00172	3.1
205.03632	0.8
207.01892	2.0
208.99678	34.4
210.99471	1.3
211.01135	5.4
216.01939	0.9
217.00168	2.5
219.01746	31.5
221.03302	2.2
223.01118	1.4
223.03017	1.2
227.00711	7.3
227.02647	1.0
229.00171	1.6
232.01167	1.1
235.01154	1.9
237.02792	51.4
239.02139	4.3
247.01202	1.6
249.02884	8.3
255.03754	4.8
257.03265	2.2
267.03867	9.8
277.02255	20.8
281.03485	1.8
291.03827	2.3
293.01736	1.4
295.03345	56.1
296.10315	0.8
307.07053	1.5
309.04926	1.0
311.08838	0.9
313.04364	3.4
318.04776	2.0
325.05975	2.8
335.06522	2.1
337.05951	0.9
353.03900	3.0
353.07736	1.5
383.06461	100.0
384.06625	2.1
395.09982	2.4
401.07550	2.6
411.08002	4.8
441.10706	19.9
459.08044	1.8
508.46106	0.9
517.11865	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	21.1
57.07080	35.0
61.02915	8.0
67.05502	34.4
67.42008	4.3
69.03429	25.9
69.07063	41.6
71.04966	4.8
71.08624	27.3
71.59093	7.5
79.05492	26.6
81.03395	11.0
81.07057	43.3
83.08610	24.1
85.02910	56.5
85.10188	19.1
91.05475	22.0
93.07030	39.4
95.04967	6.4
95.08606	43.8
97.02903	20.3
105.07028	33.5
107.08614	25.1
109.02911	5.5
109.10159	20.3
111.11752	5.5
117.07035	11.5
119.08612	15.9
121.10157	16.4
127.03918	9.6
129.07010	9.6
131.08539	24.1
133.10146	13.1
135.11681	15.9
143.08569	15.9
145.10159	29.7
147.11685	17.7
149.13266	8.0
155.08548	8.1
157.10133	25.0
158.77806	5.1
159.11697	37.3
161.13252	7.0
169.10188	10.4
171.11719	15.3
173.13289	12.0
183.11714	14.9
185.13354	8.9
187.14856	9.7
197.13322	20.8
199.14848	6.4
201.16656	4.5
211.14937	7.2
225.16449	7.4
237.16385	8.9
239.17976	13.6
239.23586	7.9
252.18648	10.5
253.19455	22.5
256.26193	6.5
287.27353	6.8
298.65616	4.9
299.27399	15.0
393.30603	9.3
393.35162	100.0
401.24976	5.0
407.69589	5.9
411.36551	28.2
433.25671	5.0
565.01868	4.8
573.41547	38.5
573.49023	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75396	4.1
53.03957	5.9
55.05511	26.9
57.03433	10.2
57.07077	51.6
58.57410	5.1
61.02924	10.7
67.05502	39.9
69.03447	23.9
69.07057	25.5
69.56208	34.9
71.08633	31.1
79.05486	32.1
79.11842	5.0
81.03416	11.7
81.07058	73.3
83.08625	24.0
85.02901	65.7
85.10177	19.5
87.04478	8.1
91.03974	5.4
91.05478	24.1
93.07041	43.7
95.04981	5.1
95.08601	60.2
97.02888	28.1
97.10176	13.6
98.20821	10.6
100.82101	4.2
105.07018	38.3
107.08580	46.1
109.02850	5.2
109.10150	26.0
111.11746	6.4
117.06986	6.7
119.08543	23.8
121.10148	23.9
123.11731	8.7
127.03918	17.6
129.07036	5.2
131.08553	29.9
133.06509	15.3
133.10127	21.4
135.11690	14.7
137.13254	7.3
143.08530	9.3
145.04965	9.0
145.10106	42.2
146.20364	4.9
147.11693	17.4
149.13242	11.2
155.08447	5.1
157.10159	13.7
159.11707	31.6
161.13225	12.8
163.14796	7.8
169.10124	6.8
171.11696	16.4
171.72862	4.9
173.13275	17.5
183.11565	5.9
185.13216	16.3
187.14816	31.2
197.13295	7.8
199.14821	14.6
201.16403	20.0
211.14684	8.6
213.16391	13.9
215.17941	9.1
225.16360	10.5
227.17908	7.8
239.17918	20.6
241.19678	6.3
243.21260	5.4
253.19556	20.0
261.22229	5.2
285.25830	7.1
295.24191	62.1
309.25839	29.4
313.25140	9.9
327.26889	5.0
393.35226	72.1
411.36096	20.6
425.64514	5.1
433.25479	5.7
433.81427	5.3
439.26700	18.1
441.28433	37.4
447.27887	7.6
475.30466	17.3
545.37885	5.5
573.33618	50.9
573.41364	100.0
573.48975	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	573.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.05496	2.0
57.07071	25.0
59.51313	0.9
62.43075	0.9
67.05486	1.2
69.07063	25.3
69.42894	1.2
69.43224	8.7
71.08630	36.6
72.08136	1.2
73.06542	1.8
79.05471	3.2
81.07055	1.8
83.08578	1.2
85.10176	16.8
87.04468	13.3
89.06026	100.0
91.05481	13.0
93.07037	6.9
95.04945	3.4
95.08588	1.1
97.06524	1.1
103.05462	3.9
105.07022	24.8
106.07323	1.4
107.04976	5.0
107.07038	2.9
107.08551	2.2
109.10143	1.1
114.09161	0.9
115.07531	2.1
117.07039	2.2
117.09116	1.7
119.04920	3.5
119.08552	5.1
119.81171	1.0
121.05645	2.1
121.06500	28.9
121.10139	1.0
126.99453	1.6
127.14784	1.2
128.69514	0.9
129.01007	4.0
129.65860	1.0
130.08647	1.8
131.07010	3.9
131.08556	2.0
133.08594	52.8
135.08046	8.1
135.11650	1.8
138.87389	0.9
141.01024	4.4
147.08034	11.0
147.11658	1.4
149.09605	9.4
150.06752	3.2
155.02588	3.0
161.09555	1.2
163.07411	1.5
163.11174	5.1
165.09102	10.9
167.10625	1.1
175.09596	1.2
177.11201	11.8
177.12650	2.0
191.10619	2.6
193.12254	1.2
197.07249	9.5
209.11649	4.1
221.13748	2.7
247.20537	16.3
251.14322	1.2
255.15869	1.1
273.22067	1.4
291.23178	25.3
335.25867	2.5
359.20227	1.0
463.35992	1.3
471.19049	28.6
472.19055	2.3
572.88800	1.8
573.25720	2.6
573.39813	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	4.0
53.03948	8.3
54.63846	1.5
55.01869	29.2
55.05255	3.2
55.05505	46.5
57.03437	8.7
57.07065	3.8
59.41425	1.7
63.02743	1.5
65.03934	6.6
67.05498	86.9
69.03410	4.7
69.07059	33.0
70.65658	6.4
71.04973	6.9
73.01366	1.5
77.03912	1.9
79.05486	99.2
79.39350	1.7
81.03418	12.2
81.07050	89.1
83.04980	17.9
83.08609	17.6
85.02904	1.7
85.06538	4.9
91.05470	94.0
93.07034	86.3
95.04951	30.1
95.08596	46.1
97.02903	1.9
97.06516	33.9
97.10164	16.2
99.08074	2.1
103.05427	3.3
104.40923	1.7
105.04490	4.0
105.07019	78.4
107.04950	31.1
107.08588	50.6
109.06510	17.8
109.10128	17.4
111.08072	5.2
113.05999	3.3
115.05447	2.2
117.06995	26.9
119.08568	54.2
121.06490	8.8
121.10129	20.7
123.08081	11.2
123.11693	5.5
125.05922	1.8
125.09654	10.3
126.99458	2.6
128.06221	5.1
128.99124	2.8
129.06990	19.8
130.07776	1.8
131.08556	24.9
133.06488	2.9
133.10120	36.2
135.08037	10.4
135.11662	16.1
137.09589	4.6
137.13257	2.2
141.06985	4.0
142.07761	2.4
143.08530	13.3
145.06470	5.0
145.10103	29.3
147.08029	5.9
147.11670	49.8
149.09625	28.1
149.13251	4.0
151.11165	4.6
155.08508	4.2
157.10107	8.2
159.08012	2.5
159.11656	17.9
161.09583	5.6
161.13237	13.8
163.11162	20.7
163.14870	1.8
165.09067	1.9
165.12714	5.0
169.10097	4.6
171.11661	26.5
173.09612	2.2
173.11862	2.2
173.13182	8.3
175.11183	3.4
175.14706	2.0
177.12788	3.8
179.14322	3.8
181.01666	1.7
181.10085	3.2
183.01224	2.9
183.11687	4.7
185.13269	3.4
187.11099	3.3
187.14786	2.8
189.11168	7.4
189.12775	10.9
195.13660	2.4
197.13269	3.8
199.14821	3.3
201.12706	2.9
207.13809	19.2
208.02768	3.5
209.03111	2.4
209.13373	1.9
210.02522	6.2
219.13795	1.8
225.14903	3.0
227.12759	23.5
229.19521	3.9
239.17938	5.3
245.19092	2.4
247.20638	4.9
257.18921	15.5
267.15982	3.1
273.18448	9.4
275.20032	100.0
278.62799	1.8
279.15964	3.2
281.17429	44.7
291.19482	7.6
293.21124	7.1
347.22128	2.4
349.23715	29.0
367.24661	2.1
377.23108	2.6
450.87207	1.8
451.26550	3.9
459.02231	2.2
459.30978	3.6
475.30515	2.9
537.35962	2.3
541.35248	3.4
555.36871	35.3
556.36823	2.1
573.38446	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	573.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33011	0.9
55.05507	3.7
57.03439	6.2
57.07076	28.3
59.16973	1.0
67.05506	6.5
69.07066	5.6
71.08633	17.4
71.58805	1.6
79.05509	1.7
81.03414	3.9
81.07056	8.7
83.08635	5.8
85.10191	11.3
89.06046	2.2
91.05504	1.1
93.07042	2.4
95.08613	11.4
97.10178	3.5
98.98467	33.5
98.99108	2.0
107.08618	1.5
109.02894	5.1
109.10172	5.9
112.46080	1.2
116.99509	1.9
120.30473	0.9
123.11726	2.8
125.13234	0.9
139.62303	1.0
155.01042	24.8
155.02213	1.9
173.02109	1.7
202.97179	1.1
239.23700	4.9
261.03802	1.8
313.27359	100.0
314.27896	2.7
317.06369	2.4
327.15961	1.2
335.07361	3.9
383.27927	1.0
393.23984	3.2
401.28983	3.6
489.91309	1.1
511.93375	1.1
537.28003	1.6
573.48621	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	573.3032
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
53.27881	1.3
55.05509	4.4
57.03440	3.9
57.07076	24.2
63.57505	1.4
65.26530	1.2
67.05508	7.4
69.07067	4.4
71.05004	2.0
71.08632	17.6
71.59958	1.3
79.05481	2.9
81.03425	2.3
81.07058	8.7
83.08624	6.2
85.10174	11.0
85.51097	1.3
86.65963	1.7
91.05461	1.7
93.07076	1.8
95.08616	13.3
97.10191	3.3
98.98468	31.5
104.85156	1.4
107.08595	1.7
109.02888	3.2
109.10174	6.2
112.61309	1.4
116.99528	1.8
123.11740	2.5
155.01039	28.0
223.93059	1.6
239.23727	3.6
261.03818	2.5
287.70462	1.4
313.27365	100.0
317.06290	3.4
335.07297	2.0
393.24011	4.0
401.28964	2.9
553.55737	1.6
573.48499	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	573.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00287	0.8
53.03934	0.9
55.01859	1.8
55.05500	5.4
57.03432	0.8
57.07072	24.1
59.04993	0.7
67.05495	7.6
69.03458	0.8
69.07063	79.1
70.06572	2.4
70.07512	0.6
70.07830	3.7
71.08628	3.1
72.08140	1.3
73.02905	1.2
73.54179	0.6
76.63311	0.6
79.05487	5.7
80.45454	0.6
81.03416	1.0
81.07040	5.7
83.04945	0.7
83.08629	1.3
85.10168	0.9
86.09724	1.0
87.04460	1.7
89.06027	9.3
91.05478	5.2
91.24728	0.6
93.07034	6.3
94.04129	1.2
95.04953	2.5
95.08591	4.0
95.28208	0.7
97.06522	2.3
97.10141	1.0
98.21552	1.0
99.00007	2.7
102.06815	1.1
103.03139	1.2
105.07025	7.8
107.04926	1.8
107.08564	3.9
109.10124	2.0
111.04414	0.7
113.01555	1.8
114.09157	0.9
115.07557	6.8
117.07004	2.4
119.08591	3.9
121.06478	3.9
121.10133	1.8
123.08002	1.1
125.09573	1.2
126.99482	7.1
129.01022	12.1
129.06975	1.6
131.08566	2.0
133.08575	6.4
133.10167	2.3
135.08116	0.8
135.11673	1.4
141.01007	14.2
141.29024	0.7
143.08556	1.8
145.10136	1.6
147.08058	1.4
147.11670	1.6
149.09569	1.7
155.02556	6.7
159.11726	0.9
161.05733	1.2
161.09673	1.4
161.13316	1.2
163.11159	1.2
165.09138	0.9
171.11667	2.2
174.56227	0.6
175.07301	1.1
177.11218	1.6
179.10553	1.1
197.07272	28.0
215.49948	0.7
225.06804	0.9
227.12837	1.0
247.13068	1.9
247.20549	1.3
259.13049	2.4
262.25342	0.6
275.20102	4.5
281.17520	1.1
287.12595	2.3
291.23026	1.5
292.12857	1.9
296.05402	0.7
315.19281	0.8
343.18979	1.4
344.19373	1.7
349.23734	1.8
371.42654	0.7
451.27185	0.7
471.19043	100.0
472.19278	3.6
547.51752	0.7
555.36584	2.4
572.89429	11.8
573.25983	10.6
573.39435	10.3
573.89551	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	573.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.7
56.96562	4.8
57.03022	1.2
69.36794	12.0
70.06592	4.8
72.08131	1.2
72.10111	1.2
79.05481	2.3
83.06097	1.2
84.04522	1.5
84.08134	1.9
84.96011	2.0
98.97578	19.7
99.05581	4.5
103.05449	2.1
103.56577	1.2
105.07031	26.2
106.60393	1.2
116.98614	26.0
127.82877	1.1
128.98607	2.1
133.06491	100.0
134.99657	20.6
140.00204	1.6
146.99663	4.5
149.01291	1.2
153.00700	3.0
158.99626	5.7
161.01154	1.4
170.99696	1.6
177.00725	15.2
189.00749	4.0
201.00790	2.2
219.01799	9.4
231.03362	7.0
237.02800	11.3
243.01843	1.9
249.04372	16.4
261.02673	6.6
267.05325	1.9
279.03836	8.7
291.05408	10.9
321.05115	1.6
333.06598	5.7
351.07608	4.7
369.08496	1.7
393.08701	7.2
481.83292	1.4
513.12866	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	573.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.2
61.20129	0.2
69.03415	0.7
70.06593	0.4
71.57037	0.2
73.02912	0.2
81.03415	0.3
84.08132	0.4
85.02903	2.0
87.06711	2.2
90.73156	0.2
97.02895	1.3
99.04453	0.2
99.19754	0.2
102.77275	0.2
107.04955	4.9
112.05063	0.3
112.61794	0.2
118.66579	0.2
126.24961	0.2
127.03889	0.5
136.06183	1.2
143.05641	100.0
145.04967	0.3
152.05655	0.3
152.94022	0.2
185.85394	0.2
249.09842	0.7
305.10916	12.0
411.14951	0.3
462.10651	0.2
467.16245	4.1
523.71143	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.7
55.01855	2.3
55.05511	3.9
57.03423	1.3
57.07071	22.5
58.80545	0.9
66.91801	0.8
67.05502	6.7
69.07062	75.9
70.06567	1.7
70.07832	2.3
71.08632	4.1
71.60346	1.1
72.08154	1.2
73.02912	1.0
73.06491	0.8
79.05478	6.1
81.07063	6.8
83.04972	1.9
83.08618	1.5
87.04477	1.8
89.06030	9.3
91.05457	6.8
93.07036	6.1
95.04945	1.6
95.08585	3.5
97.06502	2.6
97.10130	1.4
98.99987	3.2
105.07005	7.7
106.75230	0.8
107.04927	2.4
107.08568	3.6
109.10174	1.9
111.04401	0.9
113.01561	1.2
115.07572	5.5
117.06969	1.4
119.08556	2.6
121.06472	3.1
121.10108	1.7
123.11668	1.0
125.09646	0.9
126.99480	5.6
129.01021	11.9
129.06976	1.8
131.08546	2.4
133.08568	3.4
133.10114	3.1
135.08017	0.9
135.31230	0.8
141.01012	13.3
143.08592	1.1
145.06447	1.2
145.10080	1.7
147.08009	1.2
147.11641	3.3
148.06142	1.3
149.09546	2.5
155.02576	4.8
157.10184	1.1
159.11734	1.5
161.05646	1.5
161.09641	1.5
171.11732	0.9
173.13269	1.0
177.11194	0.9
179.10599	0.9
181.28096	0.9
189.12752	0.9
190.09883	1.0
197.05452	1.3
197.07268	25.6
207.13791	1.0
227.12862	1.7
247.13109	1.8
257.19049	1.1
259.12933	2.4
260.14047	0.9
275.20007	3.7
281.17419	1.6
287.12476	2.5
291.19562	1.0
291.23029	1.4
292.12650	1.9
325.08313	0.8
343.18774	1.2
344.19553	2.3
349.23590	1.4
471.19046	100.0
472.19159	1.8
555.36652	1.9
572.89716	12.1
573.25775	8.9
573.39697	9.3
573.89587	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01581	0.2
51.02363	0.3
51.83826	0.2
53.03950	1.1
55.01870	0.3
55.05503	0.2
57.07071	0.2
66.22686	0.2
67.05484	0.3
69.07060	0.3
70.03116	0.4
70.03518	0.3
70.06576	0.2
76.06084	0.2
77.03919	0.4
79.05494	2.1
80.05013	0.2
81.07043	0.4
91.05482	0.3
93.07043	0.4
94.06556	0.6
95.04971	2.4
95.08561	0.2
105.04491	0.4
105.07031	0.3
106.06538	0.3
107.04952	100.0
108.05287	0.6
108.08115	0.5
111.66501	0.1
112.07558	0.7
121.06476	0.2
124.07591	3.1
135.11685	0.1
138.09071	0.2
165.88928	0.2
176.14529	0.1
183.06741	0.2
184.10660	0.1
211.07803	0.1
218.15440	0.6
228.10167	0.4
229.10681	0.2
230.11760	1.1
231.11951	0.2
236.16447	4.0
252.16043	0.2
254.17505	16.6
336.15823	0.9
358.20206	0.7
360.21674	13.9
372.21671	0.9
442.20181	0.3
443.20450	1.0
464.24518	1.0
465.25211	0.4
466.25885	25.5
513.27539	0.2
554.32074	0.2
572.30322	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	572.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	34.2
57.03419	14.7
57.07081	21.7
67.05504	47.7
68.02371	15.3
68.14471	14.1
69.07075	67.5
79.05491	40.0
81.07062	90.0
83.08604	19.3
84.08143	24.8
91.05497	38.4
93.07045	98.0
95.08622	100.0
99.57589	16.4
105.07008	84.8
107.08591	99.2
108.53661	17.8
109.10138	88.4
119.08601	71.7
121.10154	54.6
123.11679	28.5
129.10307	25.0
131.08586	33.0
133.10146	61.1
135.11688	33.2
145.10136	51.8
147.11755	74.4
149.13235	23.0
159.11736	57.6
161.13292	38.7
163.14848	39.2
172.43031	15.6
173.13341	25.7
201.16446	39.1
215.17976	40.9
219.96506	17.7
221.13940	15.7
271.24255	56.3
292.41754	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	572.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
55.01892	1.1
55.05512	3.7
55.48225	0.8
56.05040	1.8
59.05792	1.0
60.08161	1.0
66.03552	0.8
67.05506	7.1
67.05863	1.1
69.03474	1.1
69.07053	1.4
69.38522	2.2
69.38943	7.0
70.04065	1.1
70.06592	5.9
71.07371	8.6
79.05503	10.1
81.07050	6.5
84.04501	1.5
84.08133	2.6
85.06540	1.3
86.09710	48.1
86.95509	0.9
91.05481	7.5
93.07058	9.9
95.04970	2.9
95.08601	3.9
100.31687	0.8
102.97850	0.9
104.10725	6.6
105.07037	7.3
107.04971	4.1
107.08604	4.0
109.10148	1.7
110.07139	0.9
111.04472	0.8
113.45506	1.1
117.07015	3.9
119.08585	4.5
120.08079	1.0
121.10131	1.3
125.00056	1.2
126.35844	1.0
129.07001	2.8
131.08575	3.5
133.10144	2.0
133.38383	0.9
145.10159	1.8
146.98187	19.0
147.11661	1.5
157.10110	1.2
159.02588	1.1
159.11783	1.6
161.13277	1.0
173.13287	1.3
175.14864	1.1
184.07336	4.5
185.13306	1.7
331.22913	1.1
333.20386	1.6
389.22983	100.0
390.23288	2.2
392.28647	1.0
513.22284	51.1
514.22717	1.1
572.29559	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.0
56.05034	1.5
57.03424	2.4
58.06595	0.7
58.30841	0.7
60.08161	5.6
67.05497	3.0
69.07059	1.0
70.06593	4.6
71.07378	5.0
71.59000	1.2
72.08148	0.7
79.05494	4.3
81.07044	3.5
83.08620	0.8
84.08119	1.6
86.09705	34.6
91.05463	5.3
91.17863	0.7
93.07051	4.2
95.04958	1.2
95.08601	3.1
104.10744	100.0
105.07049	3.7
105.40838	0.7
107.04942	1.2
107.08560	1.5
109.10093	0.7
111.08115	0.7
117.07018	1.9
119.08582	2.0
120.08148	0.8
125.00015	1.4
127.64940	0.7
129.06992	1.0
131.08578	1.4
133.10106	1.2
145.10172	0.7
146.98163	11.2
147.11703	0.8
159.11722	0.7
169.10170	0.7
176.99246	1.5
184.07373	2.4
185.13330	0.9
301.37027	0.6
333.19965	0.9
389.22974	33.3
428.44470	0.9
432.18063	0.7
451.18457	0.9
513.22260	74.9
514.22723	1.3
572.29565	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	572.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	6.8
57.44233	5.8
61.77872	4.5
69.03433	6.4
69.07069	5.5
69.23341	3.8
70.06577	21.0
70.48603	4.4
71.04984	12.6
71.59597	7.2
72.08165	8.3
73.01148	5.4
76.02193	6.6
79.05487	10.0
79.62704	5.3
81.07064	6.2
82.66350	4.2
84.04512	6.5
84.08107	4.7
85.02901	15.1
86.09695	7.4
87.04449	22.1
88.02207	10.2
91.02162	8.4
91.05477	9.1
93.07053	11.8
95.04971	36.3
95.08588	6.3
97.02858	5.4
98.06036	5.8
99.02661	5.3
100.02168	11.9
101.00595	7.0
101.30422	4.4
105.06999	11.1
107.04951	20.0
107.08604	10.9
109.06546	8.6
109.10144	6.2
119.01644	100.0
119.04982	9.1
119.08570	8.1
121.10130	11.7
122.02734	53.1
125.04154	5.5
127.02119	6.3
131.08559	12.7
133.10103	6.8
143.10667	5.0
145.10138	14.9
146.02721	11.5
147.04414	14.3
147.11731	8.3
149.09570	13.8
163.03830	5.9
163.11157	5.8
175.03896	9.2
190.05301	6.1
191.03705	13.9
198.05873	5.2
208.06392	81.4
217.15855	15.9
235.16907	14.6
243.10204	8.6
251.09053	41.6
338.17816	15.2
343.97620	4.9
356.18802	30.6
374.19968	59.6
374.24197	8.8
392.20938	79.2
467.89349	5.5
536.25104	6.7
554.26154	22.1
572.22504	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	572.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23903	0.6
53.03942	1.1
55.05499	2.9
55.76393	0.6
56.05037	0.8
57.03420	1.2
57.07067	4.0
61.02916	1.0
65.53668	0.7
66.01450	0.6
67.05498	3.0
69.03422	2.5
69.07069	4.5
70.04076	53.4
70.06580	2.6
70.77811	1.0
70.78167	2.0
71.04988	0.7
73.02917	1.4
79.05481	6.4
81.03427	4.2
81.07054	14.7
82.34342	0.7
83.08632	0.7
84.08156	0.8
85.02906	4.8
86.09713	1.7
89.03911	0.9
91.05470	3.2
93.07040	3.3
95.04978	1.6
95.06067	0.8
95.08636	1.1
97.02895	2.0
97.06496	1.3
99.04474	1.0
99.08092	9.9
103.05478	3.7
105.01859	1.0
105.07005	2.3
107.04949	13.5
107.08597	7.3
109.02876	2.9
109.10107	1.1
110.07141	4.2
114.88943	0.8
115.05434	1.8
116.06248	1.9
117.07044	0.9
121.02850	0.7
121.06503	3.7
125.01543	100.0
126.01855	0.8
127.03906	2.5
128.06212	2.0
129.07005	1.2
133.06523	1.2
133.08774	0.8
133.10141	1.0
139.02010	1.4
139.03091	27.2
141.06956	1.4
142.07759	6.4
145.05057	0.9
145.06479	4.5
147.08037	0.8
149.01517	4.7
150.10265	24.3
151.03110	6.8
155.08542	1.4
156.09314	2.1
157.06522	1.7
159.08060	1.3
161.06020	1.4
163.03082	10.7
165.04732	1.7
168.11320	54.6
169.10103	0.8
177.04654	14.4
184.12381	1.7
191.06195	4.3
218.86765	0.7
219.09341	15.9
250.18172	1.1
258.13751	1.0
267.27341	0.8
281.13675	0.7
288.12619	80.3
289.12866	1.7
306.13666	87.3
307.14035	1.5
324.11017	0.9
324.14670	14.1
324.18329	1.0
375.21634	10.0
466.31982	0.8
572.19806	3.9
572.28271	1.2
589.51788	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75096	0.2
53.03945	1.5
55.01865	1.0
55.05497	0.5
57.03436	1.1
57.07085	1.2
59.05003	0.4
61.02913	0.7
67.05493	0.4
68.99799	0.6
69.03427	6.1
69.07059	0.9
69.67191	0.2
70.04073	100.0
70.06586	0.4
70.66059	0.6
71.04987	0.8
71.08621	0.3
72.08148	0.4
72.08568	0.3
73.02917	1.3
75.57881	0.3
75.58312	0.2
79.05483	0.3
81.03413	6.0
81.07050	0.3
83.08607	2.1
85.02902	6.9
86.39861	0.2
87.00827	3.7
91.03962	0.6
91.05456	0.3
93.07053	0.3
97.02889	2.8
97.06525	0.2
99.04462	2.1
101.02383	0.4
105.01875	1.4
107.04946	0.7
109.02874	5.3
109.10135	0.3
117.01868	0.7
117.07012	0.2
127.03922	5.9
129.01814	0.7
131.04918	0.4
132.05685	0.5
137.52711	0.2
141.01001	6.1
141.02074	0.3
145.04967	1.7
145.06425	0.3
146.07268	1.0
146.09581	0.2
147.02800	0.3
155.02606	1.0
159.02888	2.2
167.02583	2.5
181.04143	4.7
195.05690	0.6
196.54401	0.3
202.19087	0.2
231.05011	0.6
237.10390	0.4
244.56075	0.3
301.07111	0.4
306.13638	5.9
322.04401	0.4
323.04922	1.0
324.14706	98.3
325.14966	1.4
359.06152	0.4
360.06308	0.9
378.07379	0.3
379.44513	0.3
402.07559	0.3
486.10251	0.8
510.19852	0.6
528.11877	1.5
554.18726	0.8
572.10669	6.1
572.19885	3.6
572.30157	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.2
52.02528	0.2
53.03945	1.4
55.01868	0.9
55.05505	0.9
56.96567	0.2
57.03432	1.2
57.07072	0.9
59.05020	0.4
61.02918	1.0
67.05497	0.5
68.99784	0.6
69.03426	7.8
69.07061	0.8
70.04072	100.0
70.06586	0.5
71.03772	0.2
71.05003	1.0
71.40659	0.4
72.08149	0.3
73.02916	1.5
76.02225	0.7
79.05493	0.3
81.03408	7.3
81.07040	0.3
83.08615	2.0
85.02898	10.0
86.09689	0.3
87.00823	4.0
87.04467	0.4
91.03967	0.5
91.05478	0.5
93.07020	0.3
97.02880	4.0
97.06508	0.2
97.10142	0.3
99.04450	2.6
101.02393	0.2
103.03910	0.3
105.01844	1.6
105.03392	0.2
105.06981	0.3
107.04956	1.2
109.02870	5.6
109.10172	0.5
109.80902	0.2
117.01871	0.6
121.06483	0.5
127.03910	6.7
129.01842	0.7
129.06735	0.2
130.04959	0.2
132.05701	0.8
141.01006	14.4
145.04951	2.0
145.06067	0.2
145.06522	0.2
146.07275	0.7
147.02815	0.3
155.02542	1.0
159.02896	2.4
162.02206	0.3
163.11107	0.3
166.13434	0.9
167.02583	2.5
179.04858	0.7
181.04108	1.6
187.06020	0.5
195.05873	0.2
231.05034	0.7
237.10268	0.3
265.17908	0.3
283.64679	0.3
306.13672	4.7
324.14703	85.0
325.15005	1.1
410.26492	0.3
432.58151	0.2
486.19998	1.3
510.19986	1.0
512.09143	0.4
528.21167	0.4
554.19006	1.6
566.90961	0.4
572.20044	11.3
572.31171	0.8
573.20184	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12276	0.6
52.41644	0.6
53.03934	1.4
53.13966	0.7
55.05510	1.9
56.05054	0.9
57.03421	0.9
57.07074	4.6
61.02929	1.2
65.03939	0.7
67.05493	2.0
69.03425	2.6
69.07069	6.5
69.44771	5.3
70.04076	54.3
70.06583	2.8
73.02918	1.2
77.12260	0.8
79.05495	7.3
81.03404	3.2
81.07056	11.8
84.04539	0.8
84.08115	0.8
85.02891	4.5
86.09679	1.1
87.00807	1.4
87.04455	0.8
89.03961	0.7
91.05470	2.3
93.07025	2.7
95.04950	1.7
95.06071	0.8
95.08590	1.1
97.02882	2.8
97.10161	1.1
99.04404	0.8
99.08083	9.0
103.05470	3.4
105.07030	1.8
107.04943	8.5
107.08597	6.1
109.02876	1.6
109.10181	1.0
110.07160	2.8
115.05437	1.3
116.06189	0.9
119.08597	0.8
121.06500	3.5
123.94585	0.7
125.01541	100.0
126.01890	0.9
127.03893	3.0
128.06212	2.4
130.07762	0.6
131.08522	0.7
133.06525	1.3
139.03088	28.8
141.00983	0.9
141.06960	1.7
142.07751	6.6
145.04910	0.8
145.06483	2.7
149.01521	3.9
150.10260	25.7
151.03087	6.1
153.04648	1.1
155.08627	1.4
156.09315	3.2
159.07971	1.2
163.03079	11.7
165.04691	2.1
168.11324	57.0
169.07698	0.8
169.10172	1.5
177.04660	13.4
179.06244	1.0
184.12486	1.6
191.06265	4.1
192.70348	0.7
197.07326	1.0
219.09360	14.7
230.36778	0.7
288.12613	79.0
306.13666	90.0
307.13840	1.4
321.09268	0.8
324.11090	2.0
324.14679	17.0
357.20813	0.7
375.21658	2.9
424.16498	0.7
566.91473	1.0
572.19775	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	572.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00325	0.3
53.03939	1.3
55.01867	1.0
55.05508	0.9
56.96566	0.5
57.03440	1.4
57.07075	10.1
61.02927	1.2
67.05507	2.0
67.37509	0.3
68.99794	0.5
69.03424	5.4
69.07065	43.0
70.06579	0.7
70.07484	0.3
70.07851	1.9
70.59067	0.7
70.59457	0.7
71.04977	1.0
73.02911	0.8
74.90345	0.3
77.32238	0.3
79.05490	1.4
81.03412	5.6
81.07036	1.4
83.08635	0.6
84.08122	0.4
85.02902	7.9
85.36774	0.3
87.00834	3.6
91.03934	0.5
91.05478	1.7
93.07045	1.1
95.04974	1.1
95.08615	0.7
97.02877	2.8
97.06516	0.4
99.00008	0.8
99.04464	1.2
100.05099	7.4
105.01868	2.0
105.07010	0.6
107.04952	25.9
107.08620	0.5
109.02866	4.1
109.10152	0.5
113.01584	0.6
113.05890	0.9
115.07561	5.7
117.01867	0.4
117.06982	0.6
119.02113	0.3
119.04919	0.3
119.08580	0.5
121.06497	3.0
121.10133	0.4
126.99461	3.4
127.03903	5.2
129.01021	6.0
129.01851	0.7
129.06950	0.5
131.08553	0.8
133.06502	1.9
133.10136	0.3
140.04555	0.6
140.99930	0.5
141.01021	8.5
145.04976	1.3
145.06483	6.4
145.10117	0.4
147.08041	0.6
149.13290	0.3
154.09731	1.6
154.70383	0.3
155.02573	4.0
157.06496	3.6
159.02936	1.9
159.08069	1.9
161.09613	0.7
164.08246	0.6
167.08412	0.3
168.11339	0.4
169.04137	2.4
171.08075	2.0
179.02657	0.3
179.10547	0.5
185.09668	0.7
196.10831	3.5
197.07280	27.5
199.11218	0.4
207.05710	0.7
225.06793	1.3
231.04999	0.8
235.79733	0.4
254.96036	0.3
255.17542	0.6
264.08942	0.5
265.15866	0.5
283.16946	1.8
286.75034	0.3
297.11960	0.3
301.17978	1.4
306.10074	0.5
324.11075	100.0
325.11438	0.7
357.20657	4.6
375.21646	9.7
394.41571	0.3
441.60193	0.3
448.30600	0.9
486.16391	0.4
554.34467	0.5
571.19879	0.3
571.30243	0.9
572.16241	2.8
572.30994	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.1
55.01884	16.7
55.02105	3.6
55.05259	4.5
55.05512	68.5
57.07075	8.2
59.05003	5.6
62.77022	2.7
65.03943	5.8
67.05166	5.6
67.05507	94.1
69.03406	3.5
69.07066	56.5
69.95426	8.6
69.95837	6.9
71.04990	4.5
79.05045	5.5
79.05486	53.9
81.03413	4.7
81.07055	83.8
83.04982	8.4
83.08621	28.9
85.06551	4.2
87.04472	4.5
89.06027	4.9
91.05480	60.6
91.06006	5.6
93.07045	61.9
95.04961	11.4
95.08611	75.3
97.06549	16.9
97.10165	34.9
98.20876	4.2
98.99974	3.1
103.05470	2.9
105.07029	67.8
107.04943	6.9
107.08594	58.7
109.06557	7.4
109.10152	36.2
111.08060	5.6
115.05449	4.3
116.06175	3.1
117.07016	51.6
119.08582	58.3
121.10140	30.0
123.08078	6.0
123.11722	8.3
125.09617	23.7
126.99436	6.6
128.06233	3.6
129.06987	26.7
131.08574	72.5
133.08662	4.4
133.08989	3.5
133.10117	48.1
135.08118	5.0
135.11710	21.9
138.50156	3.0
139.11171	3.9
141.07022	3.5
142.07750	4.4
143.08571	29.2
145.10126	61.1
147.11705	23.6
149.13272	6.0
151.11180	4.4
155.08569	12.0
156.09348	4.1
157.10109	27.7
159.11681	41.5
161.09607	3.2
161.13248	17.5
163.11134	4.5
163.14868	3.2
165.07014	5.0
167.08636	3.7
169.10117	20.6
171.11664	20.0
173.13254	31.7
175.14835	7.1
177.12709	4.5
181.01648	9.0
181.10210	5.8
183.11655	17.4
185.13287	21.4
187.14792	21.3
189.11224	18.5
189.16283	4.9
194.93279	3.2
195.11745	8.5
197.07220	4.8
197.13268	9.7
199.14845	13.7
201.16420	12.8
208.02759	12.0
209.03043	3.7
209.13268	9.2
210.02443	11.0
211.14819	8.9
213.16408	10.0
215.18011	8.4
223.14818	4.9
225.16423	4.4
227.17960	4.0
229.19559	7.7
237.18373	4.0
239.17984	5.6
241.19601	3.9
249.18648	3.2
273.18668	7.1
275.20117	9.8
277.21631	10.1
289.21655	4.0
291.23401	3.6
299.19901	3.5
301.21552	5.2
303.23047	4.5
315.23190	13.9
329.24652	5.3
341.24716	4.4
343.26346	4.2
359.29486	4.9
367.29996	13.1
383.32986	8.4
385.30969	100.0
397.30957	4.5
399.32501	5.3
423.32169	4.1
457.36646	3.4
459.34656	11.1
473.36273	5.0
483.34604	4.6
485.68314	3.7
517.40289	6.7
535.41388	21.8
553.42505	68.0
565.90863	8.0
571.35742	7.2
571.43726	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	571.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.3
55.01875	26.4
55.05265	5.0
55.05513	57.9
57.03410	6.2
57.07067	15.8
59.04975	4.5
60.41825	3.3
61.46174	3.6
65.03931	4.4
67.05501	88.7
69.03419	6.7
69.07063	73.6
70.50659	3.7
71.04995	8.1
71.08601	3.4
71.60047	6.3
79.05485	63.2
81.07053	98.6
83.04967	10.8
83.08614	26.7
85.06552	5.2
91.05475	61.8
93.07034	62.3
95.04960	14.9
95.08037	6.9
95.08600	83.8
97.06516	31.5
97.10165	17.1
99.04502	4.3
103.05466	4.6
105.07020	78.6
107.04971	4.8
107.08590	48.7
109.06534	7.4
109.10158	42.2
111.08041	4.0
113.05967	3.5
113.09672	3.5
115.05492	3.7
117.07047	28.7
119.08570	65.9
121.06481	5.6
121.10132	28.3
123.08057	10.9
123.11685	10.4
125.09613	20.9
128.06230	5.8
129.06984	21.0
130.07788	3.8
131.08551	60.3
133.10133	52.3
135.08078	3.8
135.11650	21.9
139.11156	5.0
141.06953	7.1
143.08563	32.3
145.06549	3.7
145.10130	56.4
147.11676	36.5
149.13255	11.9
155.08557	18.8
156.09268	3.9
157.10129	32.6
159.11671	29.2
161.09578	5.5
161.13222	17.7
163.11104	6.5
165.12749	4.0
169.10101	13.9
171.11682	25.6
171.12895	3.6
172.77206	3.3
173.13220	23.4
175.11180	3.5
175.14821	11.4
177.12694	3.6
181.10121	7.3
183.11700	16.0
185.13158	16.9
187.14801	13.0
189.11234	6.6
189.12794	3.8
195.11644	5.6
197.07249	7.8
197.13239	16.3
199.14789	15.5
201.16411	7.8
209.13245	6.1
211.14801	8.4
213.16379	7.3
221.13290	3.5
223.14766	6.6
225.16408	6.3
227.17946	4.6
237.16318	8.2
239.18073	4.3
251.20044	4.2
261.18521	3.5
273.18445	4.7
275.20111	12.0
277.21643	11.7
283.20575	4.4
289.21613	7.1
297.21979	7.2
303.23145	10.7
311.23486	4.0
313.24933	4.8
315.23148	6.6
317.24860	8.2
327.23163	5.4
355.26193	5.9
383.29169	4.7
385.30920	16.4
395.29391	4.2
399.32504	6.1
405.31580	7.9
423.32541	18.2
439.35654	8.3
441.33701	19.5
447.34753	5.6
457.37088	5.9
459.34708	90.4
461.34332	4.4
473.35925	6.7
483.34579	5.1
513.39099	5.7
517.40472	10.3
530.44556	3.9
535.41473	26.5
553.33984	5.6
553.42450	100.0
565.90802	7.7
571.43799	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	571.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02003	2.2
55.01883	2.3
55.05512	11.1
57.03429	10.6
60.08165	2.3
67.05174	3.4
67.05504	41.9
69.07077	11.5
69.93362	6.4
69.93747	4.6
70.06593	14.9
70.13129	2.5
71.04977	5.3
72.08151	6.1
76.78954	2.0
79.05493	29.3
81.03412	3.6
81.07056	47.4
83.08610	4.6
84.04485	4.2
84.08152	8.7
86.09704	19.3
87.10031	3.9
91.05481	16.6
92.45988	2.1
93.07046	19.7
95.04956	5.4
95.08602	37.4
97.06481	3.9
97.10188	3.2
98.20803	2.6
98.98462	16.0
104.10744	13.8
105.07037	13.6
107.04949	12.9
107.08604	15.0
109.02871	2.6
109.06538	4.9
109.10160	13.3
117.07013	6.5
119.08583	9.1
121.06470	3.1
121.10168	11.0
123.11690	5.7
125.00009	4.5
127.03967	2.4
129.06973	3.2
129.10298	2.7
131.08549	6.8
133.06577	2.6
133.10129	9.1
135.11665	6.7
137.09665	2.4
145.10103	5.1
155.01082	3.8
159.11681	3.2
184.07365	21.3
185.07645	4.7
201.16360	5.2
211.82719	2.2
219.17371	6.9
243.24937	2.3
258.63034	2.6
261.03183	2.7
293.20914	3.6
311.22156	100.0
466.29300	3.2
512.21100	4.9
571.29999	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	571.399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.3
55.05510	46.9
57.03428	5.9
57.07076	22.7
61.02926	7.0
67.05494	14.1
69.03429	22.1
69.07072	53.5
69.53088	16.8
69.53490	7.7
70.07702	3.1
71.08619	13.0
73.02905	5.9
79.05492	17.9
81.03399	4.2
81.07054	43.2
83.08144	6.9
83.08620	100.0
85.02902	46.1
85.10176	8.4
87.04465	6.4
88.36206	3.0
89.06031	11.8
90.06349	3.5
91.05480	13.4
93.07053	16.5
95.08615	34.3
97.02879	16.5
97.10153	17.4
99.04437	4.6
105.07027	30.8
106.07389	5.4
107.08607	17.7
109.02904	6.0
109.10145	17.3
117.07016	5.0
119.08575	18.2
121.10136	14.1
123.11710	8.2
127.03908	14.3
129.06993	6.1
131.08562	18.7
133.08597	8.8
133.10158	12.6
135.11668	5.8
136.91786	3.0
142.07761	3.7
143.08569	18.3
145.05017	3.9
145.10118	27.6
147.11676	8.0
155.08600	11.1
157.10121	20.4
159.11705	21.3
160.11221	5.0
161.13164	3.3
163.14778	3.3
169.10101	14.6
171.11682	11.4
171.76935	3.8
175.79361	3.8
177.16454	3.8
178.12251	4.0
181.10141	4.2
183.11691	11.1
185.13266	11.4
187.14815	23.4
189.16451	2.9
191.17952	4.8
195.11705	5.5
197.13274	8.7
199.14821	11.2
201.16333	5.0
209.13301	7.1
211.14796	11.0
213.16386	12.3
223.14864	7.7
225.16405	4.6
237.16319	6.3
239.17917	9.1
251.17970	18.7
252.18770	6.8
253.19472	12.2
265.19641	5.6
271.20496	4.3
283.24170	5.4
293.22745	4.5
297.25861	10.1
307.24268	8.2
309.25989	4.0
350.09561	3.2
379.76880	3.4
391.33646	46.4
405.22653	4.4
409.34613	19.9
431.24326	8.5
445.25766	3.5
453.58530	3.3
473.28723	8.5
487.30548	4.9
566.44482	3.8
571.39941	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03904	0.5
55.01869	1.7
57.03428	1.2
59.04978	0.1
61.02917	1.7
65.03906	0.2
66.29777	0.1
68.99766	0.3
69.03423	4.4
70.06572	0.1
71.04993	0.7
71.59720	0.1
72.08112	0.1
73.02877	0.5
73.27991	0.1
79.01840	0.3
79.24214	0.1
81.02984	0.1
81.03407	2.4
83.01293	0.2
85.02895	10.8
86.09683	0.2
87.04462	0.5
89.36658	0.1
91.03928	0.5
93.03371	0.3
95.04922	0.2
97.02296	0.2
97.02879	4.4
99.04432	0.6
100.11249	0.2
103.05440	0.1
107.00706	0.1
107.01314	1.2
107.04907	0.5
109.02856	1.3
115.03941	0.1
115.05413	0.2
121.02821	0.7
123.04379	0.3
127.03896	1.9
131.04872	0.5
136.59227	0.1
137.02327	10.3
137.03348	0.5
139.03877	0.2
139.05391	0.2
141.01758	0.5
141.06946	0.2
143.04861	0.2
145.04938	1.4
145.06068	0.2
145.06459	0.2
147.04332	0.3
149.02321	0.5
149.05945	0.4
151.03877	0.3
155.03351	0.1
155.04803	0.1
157.06432	0.2
159.04332	0.3
161.05986	0.6
163.02538	0.1
163.03889	1.8
165.01816	4.0
167.04842	0.3
169.06442	0.2
171.04396	0.6
173.05972	0.3
175.03809	0.1
177.01782	0.3
177.05515	0.1
179.03416	0.2
183.02893	2.3
183.04433	0.3
185.05966	0.7
187.03915	0.8
189.05441	3.5
191.03316	0.3
195.04416	0.2
199.03851	1.0
203.06979	0.2
205.04878	0.2
207.02919	0.2
213.05444	1.8
217.04948	2.2
219.02864	0.2
227.03300	0.7
229.05045	0.1
231.06474	0.4
235.05998	0.1
241.04953	1.5
245.04439	5.0
255.02859	0.2
259.05975	1.3
261.04016	0.1
269.04492	0.9
273.03888	0.4
287.05484	1.4
293.14868	0.1
297.03967	0.2
301.76273	0.1
303.04941	0.5
315.04932	92.9
316.05319	1.5
327.05005	0.3
353.06857	0.1
357.06076	0.3
367.22232	0.1
381.06204	0.1
409.09125	100.0
410.09448	1.7
421.08902	0.2
451.10278	0.2
475.09741	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	571.1447
Annotation	cudranian 2
Peak:m/z	Relative Intensity
53.03926	0.4
55.01663	0.1
55.01872	1.3
57.03431	0.8
61.02919	1.5
68.99800	0.3
69.03423	3.1
70.06567	0.4
70.06917	0.1
70.44003	0.4
71.04980	0.4
73.02896	0.4
79.05474	0.1
81.03412	1.8
83.01340	0.1
83.08555	0.1
84.08123	0.2
85.02901	8.2
86.09682	0.4
87.04470	0.4
87.14535	0.1
90.75995	0.1
91.03940	0.3
91.05478	0.2
95.04970	0.2
95.06052	0.1
97.02884	3.0
99.04430	0.5
105.07047	0.1
107.04934	0.7
109.02885	0.9
115.03921	0.1
121.02854	0.3
123.00873	0.2
123.04381	0.3
124.99998	0.2
127.03905	1.6
129.07010	0.2
131.04912	0.3
135.04428	0.2
137.02327	5.4
137.03369	0.3
141.01810	3.6
145.04956	1.0
149.02333	0.3
149.05962	0.2
151.03928	0.3
161.06047	0.2
163.03905	1.7
165.01834	2.1
165.03207	0.1
171.04395	0.2
173.05934	0.1
177.01822	0.2
183.02895	2.0
184.07343	1.0
185.05948	0.3
185.07486	0.1
187.03877	0.4
189.05405	0.2
191.03410	0.2
199.03784	0.2
213.05470	1.0
217.04930	0.7
227.03366	0.2
231.06554	0.3
241.04924	1.6
259.05997	0.7
269.04443	0.2
271.54526	0.1
287.05460	0.7
315.04950	100.0
316.05301	1.7
409.09155	14.5
410.09567	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1439
Annotation	cudranian 2
Peak:m/z	Relative Intensity
53.03902	0.6
55.01841	1.2
57.03405	0.9
61.02926	1.9
68.99763	0.4
69.03429	3.3
69.83430	1.1
69.83858	0.8
71.04961	0.4
73.02866	0.3
81.03397	1.9
85.02895	9.7
87.04441	0.6
87.96634	0.3
91.03893	0.3
97.02888	3.2
98.20758	0.6
99.04411	0.4
107.01260	0.8
107.04927	0.8
109.02831	1.2
121.02830	0.5
127.03927	1.7
131.04895	0.4
136.67168	0.3
137.02315	8.3
137.03381	0.5
137.60651	0.3
141.01790	0.4
145.04912	1.2
161.05814	0.3
163.03857	1.1
165.01842	3.4
171.04277	0.3
177.01793	0.3
183.02838	2.2
185.06010	0.4
189.05467	3.0
199.03847	0.6
205.04770	0.3
213.05423	1.2
215.03458	0.3
217.04996	1.5
227.03336	0.4
241.04889	1.2
244.20467	0.3
245.04431	3.9
259.06018	1.5
267.14047	0.3
269.04581	0.8
287.05392	1.0
297.03870	0.4
303.04968	1.4
315.04944	86.8
316.05176	0.8
334.23642	0.8
354.75531	0.3
409.09140	100.0
410.09427	0.9
475.51227	0.3
570.32660	1.6
571.33069	1.8
572.51874	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03898	0.4
55.01871	1.2
57.03434	0.7
59.04972	0.1
61.02923	1.3
67.05466	0.2
68.99770	0.3
69.03425	3.0
69.03788	0.1
69.56161	0.3
69.56583	0.3
70.06591	0.9
71.04945	0.3
72.08132	0.1
73.02904	0.4
79.05443	0.1
81.03412	1.9
81.07020	0.2
83.01276	0.2
84.04469	0.1
84.08089	0.2
85.02897	7.8
86.09692	0.6
87.04458	0.4
91.03946	0.4
91.05424	0.1
93.07001	0.1
95.04920	0.2
95.06032	0.1
97.02882	2.8
99.04446	0.5
103.05424	0.1
105.06997	0.2
107.04407	0.1
107.04939	0.6
109.02872	1.0
110.07126	0.1
120.08016	0.2
121.02811	0.3
123.00885	0.2
123.04366	0.2
126.75468	0.1
127.03086	0.1
127.03908	1.6
131.04875	0.2
137.02325	6.1
137.03357	0.3
139.03766	0.1
139.05421	0.1
141.01814	3.5
145.02809	0.1
145.04951	1.2
145.06209	0.1
147.04349	0.1
149.02286	0.2
149.05934	0.1
151.03850	0.3
157.06453	0.2
159.07928	0.1
161.04196	0.1
161.05933	0.2
162.09097	0.2
163.03900	1.7
163.91820	0.1
165.01828	2.1
167.04839	0.1
169.06407	0.1
171.04335	0.2
177.01846	0.1
179.03363	0.1
183.01321	0.1
183.02875	2.6
183.04488	0.2
185.06030	0.5
187.03911	0.5
189.05418	0.3
190.12141	0.2
191.03331	0.2
195.02669	0.1
196.46788	0.1
199.03874	0.3
203.07022	0.3
213.05463	0.9
217.04988	0.8
219.02844	0.1
227.03333	0.1
229.15411	0.3
231.06500	0.2
241.02629	0.1
241.04938	1.6
245.04431	0.2
259.05945	0.6
261.97971	0.1
269.04398	0.3
272.20087	0.2
273.20374	0.2
276.91031	0.1
287.05441	0.9
297.03918	0.1
303.05286	0.1
314.04187	0.1
315.04938	100.0
316.05292	0.9
327.05038	0.8
334.23785	0.1
335.23990	0.1
341.06824	0.1
353.06644	0.1
357.06033	0.3
359.22601	0.1
359.87384	0.1
369.56396	0.1
381.06082	0.2
408.27530	0.3
409.09149	19.0
410.09372	0.3
423.06647	0.1
441.08176	0.1
459.09232	0.2
565.91083	0.2
566.91644	0.1
570.32739	1.2
571.24890	0.2
571.33136	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85210	0.4
55.05500	1.0
56.05024	1.1
56.96566	0.4
57.03421	0.5
58.06588	1.0
60.08160	12.1
67.05485	1.2
69.07053	0.8
70.06590	2.9
71.06984	0.6
71.07369	5.2
72.08150	1.0
73.34320	0.4
79.05469	1.1
79.82319	0.4
81.07047	1.4
83.08605	0.8
83.72131	0.4
84.04519	0.4
84.08116	1.4
86.09698	43.0
87.10033	0.9
91.05466	1.5
93.07043	1.0
98.98463	4.2
104.10736	51.8
105.07008	1.1
105.11081	1.0
107.04953	1.6
107.08590	0.8
119.08585	0.6
120.08128	1.0
124.99992	24.6
129.10184	0.5
131.04979	0.5
131.08475	0.5
143.01077	0.7
146.98083	0.4
147.11621	0.4
184.07330	100.0
185.07646	1.2
186.07852	0.5
258.11005	0.5
291.29980	0.4
387.21191	1.3
452.23984	6.6
508.87119	0.4
511.20053	1.0
516.30493	0.8
534.32098	1.9
552.33032	6.1
570.34576	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	570.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.8
57.07085	3.7
57.21939	0.7
65.78642	0.7
67.05506	1.6
69.32274	0.8
69.32575	8.0
71.08627	2.6
81.07035	1.3
83.08626	0.9
89.06019	2.9
91.05477	1.9
94.83138	0.7
95.08605	1.1
95.62362	0.7
98.98461	2.8
102.57915	0.6
105.21105	0.8
107.08578	1.5
117.07030	1.2
118.06545	4.1
119.07305	2.7
124.99190	1.3
125.00011	11.2
132.08037	0.9
133.08580	1.8
134.09662	30.2
144.08070	11.3
145.08888	4.7
155.00990	0.8
160.11226	100.0
178.12279	90.2
178.15562	0.8
179.12534	0.9
258.08917	66.1
262.46793	0.8
275.45450	0.8
402.61703	0.9
410.65457	0.9
552.34515	6.0
569.56744	1.0
570.35535	20.9
570.44177	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	6.3
57.07079	59.0
67.05504	6.0
69.07059	10.2
71.08634	53.9
71.59407	4.2
73.06558	6.7
79.05478	3.7
79.63428	2.6
83.08627	7.1
85.10184	36.9
87.04469	6.2
89.06036	100.0
95.08575	4.2
95.40669	3.0
97.10184	4.6
99.11740	8.1
105.07013	6.0
107.07053	3.7
111.11731	4.8
113.13303	7.0
114.80494	3.3
117.09151	3.9
119.08617	3.0
125.13259	5.7
127.14868	4.4
129.41609	3.2
130.08644	3.1
130.96780	2.9
133.08607	60.5
135.41827	3.1
137.57178	2.8
177.11255	26.0
271.26489	4.5
279.54776	3.3
283.17371	3.4
290.48694	3.2
315.28830	4.7
371.22879	13.6
553.42828	9.3
580.09131	3.4
580.31494	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	570.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33385	0.2
53.17886	0.2
53.21802	0.2
55.05505	0.4
56.05029	0.8
58.06356	0.2
58.06622	0.6
58.36974	0.2
60.08164	6.7
66.58917	0.2
67.05509	0.3
70.06589	0.6
70.29816	0.4
70.30178	0.4
71.07376	3.0
72.08172	0.2
74.37572	0.2
86.09706	30.2
98.98468	3.0
104.10744	3.6
107.04972	0.3
124.72467	0.2
125.00006	20.3
143.01057	0.4
184.07341	100.0
185.07716	1.0
226.47162	0.2
280.15213	0.2
412.21240	0.3
452.24170	1.1
516.30530	0.3
534.32007	1.0
552.32990	1.6
570.34100	1.4
575.93634	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.34
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.7
56.05041	1.9
58.06636	1.9
60.08167	16.4
67.05502	1.6
70.06602	1.7
70.77991	1.1
70.78329	1.2
71.07375	6.8
79.05463	0.8
81.07056	1.3
86.09706	50.3
91.05471	0.6
93.07047	1.1
98.98484	4.0
104.10747	100.0
105.07061	0.6
107.04932	0.7
121.10168	0.6
125.00008	22.9
163.01573	0.7
184.07344	93.6
223.84868	0.6
301.93759	0.6
359.87976	0.6
412.20752	2.1
434.22794	1.3
452.18314	1.0
452.24100	16.0
516.30640	3.2
534.31915	10.8
552.32971	12.0
570.34113	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	570.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.6
55.05494	0.8
56.84257	0.4
57.03423	0.5
61.02915	1.1
62.87604	0.4
67.05495	1.0
69.03419	1.0
70.06585	28.6
70.12971	0.3
72.08144	0.9
72.93796	0.4
73.02901	1.0
79.05482	1.0
79.25063	0.3
81.03394	0.6
81.07052	0.6
83.04948	0.4
83.06097	0.3
83.08609	0.4
84.04475	0.8
84.08128	1.2
85.02886	2.3
86.09695	12.6
88.35907	0.3
90.92115	0.3
91.03960	0.3
91.05490	0.9
93.07022	0.7
95.04965	0.6
95.06100	0.3
95.08585	0.4
97.02887	1.4
105.07033	1.0
105.98963	0.3
106.06549	0.9
107.04939	3.9
107.08606	0.5
109.10143	0.4
109.95002	0.3
116.07110	0.5
117.05763	0.8
118.06538	1.7
120.08109	1.0
121.02866	0.6
121.06482	0.7
127.03971	0.5
129.07024	0.4
130.06508	0.8
131.07297	1.1
132.08061	1.6
133.08928	0.3
134.09625	0.4
135.11598	0.4
136.07657	0.3
137.02299	0.6
138.09164	0.4
144.08037	0.4
145.10017	0.4
146.09567	2.2
151.09857	0.6
153.01811	0.6
158.09792	0.5
160.11189	1.8
162.09113	5.2
172.11176	0.4
176.10677	3.3
177.11528	0.4
183.11317	0.9
183.14896	0.5
184.07401	0.5
190.12236	9.2
201.12277	0.8
204.13852	1.2
211.14430	0.6
218.15428	0.4
229.11784	1.5
229.15451	19.2
230.15404	0.4
233.77402	0.3
234.89879	0.8
244.20575	2.2
272.20056	13.2
276.90918	0.9
289.91882	0.5
290.21149	1.0
303.04959	4.2
315.04922	2.5
316.22711	0.5
318.92126	0.4
323.05841	0.8
331.93112	0.5
334.23718	14.7
335.24060	0.7
341.06732	0.7
342.20224	0.6
342.23969	1.5
346.23874	0.7
364.24942	1.3
408.27405	15.4
409.09216	3.2
424.11069	0.8
424.16644	0.4
424.23947	0.4
486.62759	0.3
521.86163	0.4
552.31702	0.6
565.91382	1.7
570.32678	100.0
571.33112	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	570.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.6
55.05494	0.8
56.84257	0.4
57.03423	0.5
61.02915	1.1
62.87604	0.4
67.05495	1.0
69.03419	1.0
70.06585	28.6
70.12971	0.3
72.08144	0.9
72.93796	0.4
73.02901	1.0
79.05482	1.0
79.25063	0.3
81.03394	0.6
81.07052	0.6
83.04948	0.4
83.06097	0.3
83.08609	0.4
84.04475	0.8
84.08128	1.2
85.02886	2.3
86.09695	12.6
88.35907	0.3
90.92115	0.3
91.03960	0.3
91.05490	0.9
93.07022	0.7
95.04965	0.6
95.06100	0.3
95.08585	0.4
97.02887	1.4
105.07033	1.0
105.98963	0.3
106.06549	0.9
107.04939	3.9
107.08606	0.5
109.10143	0.4
109.95002	0.3
116.07110	0.5
117.05763	0.8
118.06538	1.7
120.08109	1.0
121.02866	0.6
121.06482	0.7
127.03971	0.5
129.07024	0.4
130.06508	0.8
131.07297	1.1
132.08061	1.6
133.08928	0.3
134.09625	0.4
135.11598	0.4
136.07657	0.3
137.02299	0.6
138.09164	0.4
144.08037	0.4
145.10017	0.4
146.09567	2.2
151.09857	0.6
153.01811	0.6
158.09792	0.5
160.11189	1.8
162.09113	5.2
172.11176	0.4
176.10677	3.3
177.11528	0.4
183.11317	0.9
183.14896	0.5
184.07401	0.5
190.12236	9.2
201.12277	0.8
204.13852	1.2
211.14430	0.6
218.15428	0.4
229.11784	1.5
229.15451	19.2
230.15404	0.4
233.77402	0.3
234.89879	0.8
244.20575	2.2
272.20056	13.2
276.90918	0.9
289.91882	0.5
290.21149	1.0
303.04959	4.2
315.04922	2.5
316.22711	0.5
318.92126	0.4
323.05841	0.8
331.93112	0.5
334.23718	14.7
335.24060	0.7
341.06732	0.7
342.20224	0.6
342.23969	1.5
346.23874	0.7
364.24942	1.3
408.27405	15.4
409.09216	3.2
424.11069	0.8
424.16644	0.4
424.23947	0.4
486.62759	0.3
521.86163	0.4
552.31702	0.6
565.91382	1.7
570.32678	100.0
571.33112	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	569.42
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	2.5
51.68403	2.2
53.03946	7.8
55.01866	2.8
55.05507	24.2
57.03426	4.9
57.07071	5.5
65.03944	6.1
66.68491	2.4
67.05164	4.9
67.05502	72.6
69.07056	21.4
71.59697	2.5
79.05486	67.6
81.03397	2.9
81.07055	71.2
83.04980	3.7
83.08619	9.5
85.06519	4.2
89.06024	8.2
91.05477	62.2
93.07034	73.9
95.04932	12.4
95.08599	53.6
97.06532	7.0
97.10171	5.0
105.07025	36.6
107.04967	3.1
107.07934	4.7
107.08588	38.2
109.06530	3.0
109.10156	18.4
112.15361	2.6
115.05486	2.9
117.07003	23.0
118.63143	2.6
119.08588	36.7
121.10140	41.2
123.11662	5.1
128.06277	2.9
129.07011	8.9
131.08582	28.9
133.10117	20.1
135.08035	4.1
135.11676	14.7
143.08543	12.7
145.10149	11.0
147.11708	9.4
149.09546	2.8
149.13264	7.3
155.08574	4.9
157.10156	9.4
159.11707	10.2
161.13274	7.9
169.10158	4.1
171.11710	7.8
173.13214	6.1
175.14890	6.1
181.10197	2.9
183.11746	4.2
187.14847	5.4
189.16377	6.5
195.11555	2.9
197.13280	5.2
199.14862	7.8
203.68390	2.6
217.15991	6.3
234.60895	2.4
235.16931	6.9
254.11957	2.8
261.22211	5.8
291.19577	2.9
335.25888	2.9
418.16733	2.8
426.81091	2.7
477.37354	5.9
495.38446	4.6
513.40326	3.6
525.85107	2.9
551.40845	5.5
569.41968	100.0
570.42963	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	569.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.1
55.01869	3.5
55.05510	22.0
55.98688	2.0
57.03426	3.5
57.07064	9.4
59.56665	2.0
65.03932	3.3
65.95343	2.3
67.05501	66.2
69.03417	3.2
69.07063	36.7
69.07414	4.1
69.46037	11.9
69.46474	7.3
70.04071	3.2
79.05491	72.3
81.07053	67.6
83.04980	3.1
83.08617	7.0
85.06548	4.2
89.06042	2.7
91.05478	64.9
92.89253	2.1
93.06460	4.7
93.07036	68.2
95.04932	13.0
95.08597	54.1
97.06525	8.4
97.10162	4.3
105.04482	3.2
105.07032	33.2
107.04919	2.2
107.08591	36.9
109.06538	4.4
109.10143	20.6
110.03529	2.1
111.08081	2.6
115.07581	6.7
116.06276	2.8
117.07001	15.8
119.08575	32.4
119.48377	2.3
121.10142	40.7
123.11665	5.2
128.06256	2.6
129.07011	7.4
131.08562	25.7
133.10117	18.6
135.11681	14.9
137.09619	4.0
139.35603	2.3
143.08565	10.7
145.10091	13.3
147.11664	12.0
149.13255	4.9
157.10139	8.7
159.02768	2.0
159.11722	8.2
160.65474	1.9
161.13268	4.5
169.10167	3.9
171.11719	6.3
173.13301	6.4
175.14822	3.6
181.10205	2.8
183.11671	2.6
187.14851	3.0
189.16425	4.0
197.07281	6.9
197.13225	4.3
199.14859	5.1
209.13126	2.1
215.56779	2.4
217.15833	5.1
235.17027	8.6
243.21037	2.3
261.22195	5.6
335.25992	3.5
477.37122	5.3
551.41211	3.4
569.42010	100.0
570.87927	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	569.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80407	0.3
55.05505	0.5
55.75610	0.3
56.07398	0.3
67.05515	0.6
69.03413	0.6
70.03827	1.0
70.04236	0.7
70.06593	0.3
79.05516	0.5
80.51681	0.3
81.03427	0.5
81.07050	0.9
85.02905	0.5
85.03371	0.3
91.05490	0.7
95.08609	0.4
105.07010	0.5
107.04932	0.6
107.08623	0.4
109.10110	0.5
119.08587	0.5
121.06458	0.3
125.78989	0.3
132.07143	0.3
161.40694	0.3
183.09576	0.3
185.04263	0.5
195.11610	0.3
271.14008	0.7
295.14944	0.5
305.61646	0.3
331.10123	0.7
407.23962	1.4
416.16129	0.4
457.20404	3.0
471.21918	3.7
487.21542	0.8
569.29315	100.0
570.29694	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52292	0.4
53.82167	0.3
55.01871	0.5
67.05511	0.6
70.06590	0.9
70.19068	1.8
72.08134	0.4
79.05511	0.4
84.08136	0.5
86.09704	1.7
87.10078	0.5
91.62824	0.4
93.66664	0.4
95.08636	0.5
98.98459	0.6
104.10749	1.2
105.07028	0.7
107.04963	1.6
120.94205	0.5
124.99988	1.1
132.04765	0.4
184.07329	4.0
185.04198	0.5
185.07722	0.6
203.05312	1.3
227.65475	0.5
259.07986	0.9
333.19073	2.5
389.22696	0.5
407.24002	1.3
551.27594	0.9
569.29309	100.0
570.30072	1.5
584.50195	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.05495	1.6
55.45174	0.8
56.05021	1.6
57.03421	0.7
61.02912	1.4
67.05500	2.1
69.03413	1.6
69.07063	6.0
70.06590	100.0
71.59753	0.9
71.60096	0.8
72.08156	2.3
73.02888	0.8
75.05590	2.2
79.05476	1.6
81.03407	2.0
81.07046	1.7
84.04510	1.9
84.08147	4.1
85.02894	3.2
86.06068	4.2
86.09702	79.4
87.04472	1.2
89.06020	4.7
91.05491	1.8
93.07051	1.1
95.04962	1.6
95.06075	1.6
97.02876	1.9
97.06542	1.9
98.06043	0.9
102.13013	0.7
104.10746	1.0
105.07033	1.8
107.04950	19.5
108.05321	0.9
110.07064	0.9
111.04471	0.9
113.07141	1.0
114.05515	8.0
114.09146	3.1
119.08587	1.1
120.08125	2.2
121.02907	3.8
121.06514	2.0
123.04397	1.2
127.08672	28.5
129.10199	1.1
131.04948	1.0
132.10237	1.5
137.05946	2.7
143.08521	1.2
143.11774	9.1
145.06366	0.8
151.07654	0.8
153.01733	0.8
153.06615	1.3
155.08151	20.1
166.08612	1.3
171.07732	1.7
171.11288	1.7
183.15033	1.9
187.07578	1.1
228.13359	1.6
229.15459	53.5
240.17177	1.4
256.16556	10.7
268.16571	1.7
277.01254	1.0
284.16086	9.5
286.17606	38.2
321.11099	2.6
341.18140	7.5
343.09818	5.4
345.07526	1.4
361.10934	6.8
375.08771	3.4
379.12225	2.0
389.10471	12.4
389.19247	1.1
399.26065	2.7
407.11505	24.4
408.11755	2.3
430.12949	1.1
438.27103	1.9
453.16272	1.0
456.28027	2.5
551.24158	0.8
551.31317	4.5
569.16052	1.0
569.31805	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	569.293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.3
56.21046	0.3
56.59939	0.3
67.05496	0.6
69.87003	1.0
72.12824	0.3
81.07022	0.4
83.04975	0.3
100.72514	0.2
107.04928	0.8
107.08595	0.4
109.08032	0.3
135.88884	0.3
156.03694	0.3
185.04173	0.3
205.85832	0.3
253.12955	0.7
295.14276	0.3
322.22366	0.3
325.16269	0.3
331.09760	0.5
333.18954	0.3
344.13770	0.3
407.24075	1.6
457.20438	2.8
471.21838	2.6
487.21396	0.6
569.29279	100.0
570.29364	1.1
578.43805	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.293
Annotation	Unknow
Peak:m/z	Relative Intensity
60.88317	0.3
64.92996	0.3
67.05499	0.4
71.16948	0.6
71.17324	0.7
79.63876	0.3
81.07059	0.3
83.26323	0.3
93.04745	0.3
107.04972	0.3
121.06544	0.3
124.88859	0.3
143.73230	0.3
146.62137	0.3
149.08372	0.3
150.97078	0.3
168.56091	0.3
179.34453	0.3
185.04243	0.5
203.05263	1.4
232.67560	0.4
244.02748	0.3
253.12837	0.8
259.07892	1.1
271.13907	0.3
295.15103	0.4
331.10092	0.5
351.19965	0.4
407.24060	1.5
457.20422	2.1
471.21909	1.9
487.21661	0.7
569.29272	100.0
570.29803	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.05514	0.6
56.96552	0.4
57.03435	0.5
61.02924	0.5
67.05502	0.9
67.18467	0.3
69.03427	0.7
69.07050	0.4
70.06597	0.6
70.22436	1.2
71.05018	0.3
76.09996	0.3
79.05495	1.0
81.03429	0.6
81.07054	0.8
84.08156	0.4
85.02894	1.2
91.05459	0.9
93.07018	0.8
95.04943	0.6
95.08596	0.7
97.02882	0.8
105.07030	0.7
107.04959	2.0
107.08598	0.9
109.02836	0.3
109.06504	0.3
109.10195	0.7
119.08540	0.5
121.02865	0.4
121.06491	0.4
124.64802	0.3
127.03894	0.6
144.47183	0.3
145.04988	0.3
151.11172	0.4
154.90463	0.3
160.99361	0.3
166.08609	0.6
185.04221	0.5
203.05284	0.8
204.06651	0.5
259.07974	1.4
283.05994	0.6
297.23969	0.4
300.30124	0.3
304.74698	0.3
313.07043	4.1
321.16830	0.5
331.10263	0.6
333.19489	0.7
351.63150	0.4
407.11459	0.6
407.23993	1.5
457.20300	0.5
471.22037	0.7
481.24265	0.6
483.21936	4.3
487.21591	0.7
569.29309	100.0
570.29614	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96326	1.1
56.96569	11.6
57.51918	0.8
65.37305	0.8
67.05492	2.2
69.03442	1.2
69.07059	1.8
71.94576	0.8
74.97594	1.0
79.05476	2.5
81.07047	1.7
85.55459	0.9
86.58737	0.9
91.05467	1.3
93.07054	2.2
95.04976	0.9
95.08606	1.2
98.97580	8.1
105.07053	1.1
107.04935	3.5
107.08548	1.1
110.97564	1.0
112.99110	4.5
116.98617	10.2
117.06975	1.1
119.08585	1.1
128.98625	3.4
131.00177	12.9
134.99680	4.6
143.00113	2.2
146.99657	5.4
149.01215	22.2
158.99652	3.9
161.01187	4.7
165.00674	1.4
167.02232	6.4
172.02902	1.4
173.01192	1.8
177.00693	8.8
180.09892	0.8
185.01210	1.1
189.00769	1.2
191.02286	2.7
195.01787	1.1
199.02715	3.3
203.02193	2.2
217.03883	1.8
219.01772	1.7
227.02269	1.6
233.03284	1.9
237.02826	2.2
275.04324	4.0
293.05447	20.7
311.06433	5.9
315.16321	8.1
316.07150	1.5
333.13513	1.5
333.17389	24.7
351.18414	17.8
356.19073	1.8
374.19968	2.1
393.19452	3.3
492.13196	0.9
518.72791	1.1
551.25836	4.0
569.27112	100.0
570.27228	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06819	3.6
57.03435	5.3
57.07068	15.5
60.94068	3.7
62.06091	26.5
67.05505	5.7
69.07077	8.9
71.08627	12.7
79.05526	4.2
81.07052	10.8
83.08635	5.1
85.10146	7.0
87.04434	4.1
89.06050	8.0
95.08601	14.5
97.06528	9.3
98.98456	4.7
100.72982	4.7
114.09171	5.5
140.10744	4.4
155.01097	6.0
282.27936	12.8
313.27371	100.0
393.24063	5.7
405.51926	3.9
436.28024	9.4
454.29471	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	568.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89201	4.2
55.05500	11.5
57.07072	7.8
61.83779	4.2
64.47157	4.0
67.05485	16.7
69.03450	4.1
69.07054	9.7
71.09377	10.2
79.05486	24.1
81.07048	40.8
83.08637	5.4
85.06524	7.2
91.05480	40.0
93.07037	53.4
95.04955	48.5
95.08599	28.9
105.07023	84.9
107.08576	41.8
109.06493	6.0
109.10139	20.7
111.08147	4.5
115.05392	6.4
117.07018	33.0
119.08568	100.0
120.09332	10.0
121.09371	4.6
121.10123	29.5
123.08041	19.1
123.11676	6.5
128.06155	8.6
129.07010	20.2
130.07762	8.1
131.08559	55.2
132.09328	11.7
133.10118	53.6
134.10892	5.1
135.08041	6.2
135.11676	19.7
136.37463	4.5
137.09581	6.0
138.10400	7.9
141.07014	5.2
142.07759	13.7
143.08540	45.6
144.09312	14.7
145.10117	73.9
146.10800	6.1
146.34732	3.9
147.10663	4.1
147.11679	29.2
149.09529	5.6
155.08548	19.1
156.09332	15.0
157.10109	62.6
158.10878	13.6
159.11699	38.9
160.12511	7.1
161.09593	6.8
161.13243	8.7
165.06998	7.4
166.07780	4.6
167.08560	9.1
168.09328	8.6
169.10135	18.5
170.10866	9.9
170.91098	3.8
171.11705	31.8
173.13237	33.9
175.14790	21.3
177.12810	7.1
179.08594	7.0
180.62405	4.8
181.10095	18.6
182.10950	4.4
183.11664	23.6
184.12456	7.9
185.13248	26.1
186.13937	5.7
187.14825	10.9
189.12718	4.1
191.14366	8.6
193.10106	7.8
193.70248	4.0
194.10886	8.3
195.11693	17.4
196.12411	9.4
197.13281	23.2
198.13974	7.2
199.14728	12.0
199.93237	4.4
201.12679	5.4
201.16338	7.4
207.11673	9.3
209.13301	21.2
211.14767	18.0
212.15381	5.0
213.16409	6.7
221.13138	10.4
223.14720	11.2
225.16383	7.7
235.14777	6.8
237.16299	9.3
265.19516	5.7
275.17926	4.7
277.19516	5.4
338.26022	40.2
430.32239	19.0
449.89420	4.4
462.46265	4.2
476.36282	17.6
563.91278	12.1
568.42450	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	568.324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35576	0.3
56.05024	0.7
57.03409	0.4
58.06583	2.0
59.07385	1.8
59.90103	0.3
60.07882	0.4
60.08161	5.6
67.05506	0.7
69.97234	1.3
69.97646	0.8
70.06590	0.5
71.07375	2.8
78.76671	0.3
79.05485	0.4
81.07047	0.7
86.09706	29.1
93.07028	0.4
95.08555	0.4
98.21449	0.6
98.98476	2.8
100.74116	0.3
104.10751	5.2
107.04979	1.7
109.10145	0.5
119.04960	0.5
119.08524	0.3
125.00010	19.2
145.10062	0.4
157.97079	0.3
168.04178	0.5
184.07344	100.0
185.07759	0.6
210.08894	0.9
222.08408	0.3
239.09212	1.0
331.10269	0.3
341.31689	0.4
349.16504	0.4
356.94937	0.3
550.30951	0.4
568.32214	0.5
568.40497	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	0.8
58.06603	0.4
60.08162	6.1
67.05499	0.4
69.07084	0.3
70.06592	0.7
70.72216	0.6
71.07373	2.8
77.89834	0.2
79.05465	0.3
81.07040	0.4
86.09703	30.0
94.48813	0.2
98.98462	2.9
104.10736	4.1
107.04942	0.3
125.00002	20.8
143.01036	0.3
166.83841	0.2
184.07335	100.0
185.07677	0.5
250.27734	0.3
452.24203	1.0
456.00177	0.3
532.29895	0.6
538.67529	0.2
550.31525	1.9
568.32324	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.1
56.05033	1.1
57.03473	0.7
58.06588	1.3
60.08163	17.6
67.05502	1.3
69.07056	0.9
70.06588	1.1
70.72275	1.6
71.07373	5.2
72.08173	1.2
79.05494	1.1
81.07049	2.4
83.08617	0.5
84.08161	0.8
86.09705	51.0
91.05466	1.0
93.07034	1.0
95.08590	0.6
98.98451	3.4
104.10741	95.2
107.04971	0.8
109.10203	0.7
124.99998	28.0
133.10083	0.6
159.11635	0.7
180.41743	0.6
182.74702	0.5
184.07338	100.0
185.07739	0.9
195.14020	0.6
258.10983	1.3
412.20825	1.4
434.22940	1.1
452.24026	11.3
503.88943	0.6
514.29004	2.3
532.30341	9.7
550.31360	11.5
568.32465	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	568.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39914	0.9
53.03937	1.8
55.01868	2.2
55.05505	2.8
56.05024	3.3
57.03426	3.1
61.02923	17.0
67.05507	5.4
68.05015	1.1
69.03073	1.0
69.03432	12.6
69.07067	2.0
70.06589	7.6
71.04987	3.7
72.04504	1.9
72.54432	1.0
73.02917	7.4
79.05489	7.3
80.05005	1.8
81.02969	1.7
81.03415	19.7
81.07059	10.0
82.06578	1.2
83.04964	4.2
83.08604	4.4
84.04507	5.6
84.08122	3.0
85.02907	12.7
86.06065	38.7
87.04467	23.1
91.03953	8.0
91.05484	5.7
93.07037	12.2
93.44862	0.9
94.06584	1.7
95.04968	5.6
95.08585	5.3
96.08126	1.5
97.02900	12.0
97.06530	4.4
98.06055	45.4
98.21521	1.8
99.04449	1.1
102.05555	3.0
104.07108	26.8
105.07027	5.2
107.04974	4.7
107.08588	2.7
109.02839	1.0
109.06502	1.3
109.10143	1.9
110.06035	1.5
111.08053	2.5
112.07610	10.3
117.07068	1.3
118.20262	0.9
119.08596	3.3
121.06475	1.2
121.10148	7.3
124.07570	4.9
126.05515	10.9
126.09154	1.8
127.03895	3.3
128.07086	1.9
129.06982	1.2
131.08574	5.8
133.10138	2.9
135.11745	1.1
137.06003	4.4
137.13211	1.1
138.09117	1.6
138.12750	3.0
139.11229	1.1
140.07069	2.7
142.08632	3.8
145.04935	1.7
147.11667	3.4
148.07568	1.4
149.09610	23.1
154.08647	3.3
157.10146	3.1
158.08119	5.6
158.45665	1.0
165.12781	2.8
166.12296	3.7
167.10612	1.4
175.11208	4.1
177.12799	1.5
182.15411	2.2
184.13350	6.5
184.54366	0.9
193.12248	22.4
195.13812	1.5
206.15331	5.4
210.14854	7.4
211.13306	3.3
224.16426	3.9
234.14911	4.2
240.15891	0.9
250.18002	1.7
252.15965	20.2
260.16367	3.8
267.15884	13.4
268.19104	1.9
278.17538	8.1
285.16925	27.0
296.18542	4.1
309.16992	2.6
314.19421	1.1
326.19565	2.0
344.20679	9.3
362.21716	40.0
370.22290	7.8
388.23279	100.0
389.23355	1.3
406.24338	2.8
432.22223	1.2
506.26001	2.0
524.26917	10.1
532.27301	1.9
550.28552	90.6
551.28821	1.5
568.29871	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	568.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44461	1.2
53.03945	1.8
55.01861	2.2
55.05501	3.3
56.05037	3.9
57.03433	3.6
61.02928	13.1
61.60284	1.5
67.05489	8.7
68.05034	1.5
68.50932	1.3
69.03425	11.3
69.07056	3.1
70.06583	8.4
70.51047	3.2
70.51439	3.3
71.01349	1.4
71.04989	2.6
72.04524	1.5
73.02907	4.8
79.05491	9.5
80.05000	1.8
81.03416	24.7
81.07048	10.8
83.04974	3.3
83.08627	7.4
84.04507	6.2
84.08142	2.9
84.16954	1.3
85.02900	13.0
86.06062	36.2
87.03970	2.7
87.04462	24.4
91.03941	7.9
91.05469	6.7
93.07045	7.8
94.06578	1.5
95.04955	9.2
95.08581	7.4
96.08141	2.0
97.02882	9.8
97.06536	4.5
98.06051	30.8
102.05548	2.7
104.07100	31.3
104.07784	2.3
105.07019	5.5
107.04954	5.2
107.08598	3.6
109.06556	1.6
109.10145	1.9
111.08063	3.2
112.07594	12.1
115.03916	1.6
119.08589	4.8
121.10142	6.3
124.07561	3.5
126.05517	6.1
127.03906	2.7
129.07034	1.9
131.08566	5.8
133.10117	3.2
135.21274	1.4
138.12796	2.8
140.07054	3.6
142.08693	2.8
147.11678	3.3
148.07634	2.7
149.09625	26.2
149.10736	2.4
149.13124	1.5
157.10121	6.0
158.08142	5.1
165.12775	1.7
166.12231	1.7
175.11209	5.2
177.12773	2.9
182.15508	1.7
184.13330	3.7
192.01019	1.4
193.12234	27.9
206.15544	2.6
210.14882	8.2
211.13338	4.4
212.16611	1.5
224.16498	5.1
234.14894	3.4
240.15753	1.7
246.10135	1.5
250.18042	2.9
252.15947	14.0
260.16568	3.6
267.15900	19.9
268.19116	1.9
278.17410	9.8
285.16953	26.9
291.49457	1.3
296.18579	6.0
309.16867	2.6
314.19601	3.0
326.19717	2.3
344.20654	13.6
362.21698	28.3
370.22272	14.2
388.23276	89.3
506.25681	3.7
524.26984	5.2
550.28552	100.0
551.29382	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	568.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01851	2.3
55.05507	3.0
56.05027	2.0
57.03424	3.7
61.02922	15.1
67.05490	8.5
68.05026	1.1
69.03421	14.3
69.07054	1.6
70.06589	4.8
70.24339	5.0
70.73782	1.0
71.04987	2.9
72.04511	1.3
73.02904	8.9
79.05479	7.6
80.05020	1.7
81.03408	25.1
81.07047	11.5
82.06583	1.5
82.99194	1.2
83.04974	4.0
83.08620	6.7
83.09035	1.2
84.04505	6.4
84.08137	3.3
85.02897	16.9
85.06580	1.0
86.06059	37.6
87.04460	24.1
90.15417	1.0
91.03939	7.8
91.05453	6.9
93.07022	8.0
94.06519	1.8
95.04955	8.4
95.08590	5.4
96.08104	2.2
97.02879	10.0
97.06512	6.2
97.10180	1.4
98.06045	21.6
101.02381	3.0
102.05525	2.6
104.07095	30.4
105.07014	4.4
107.04946	2.6
107.08584	2.6
109.06548	1.3
110.06032	1.4
111.08065	4.4
112.07600	9.6
119.08577	4.4
121.06508	1.6
121.10139	4.9
124.07589	3.7
126.05509	5.4
127.03932	2.4
129.06892	1.3
131.08562	3.7
133.10104	2.6
136.07545	1.5
138.09062	1.7
138.12749	2.8
140.07036	3.8
142.08624	2.4
147.08099	1.4
147.11678	2.8
148.07527	2.0
149.09604	25.0
149.13280	1.3
154.08604	1.8
156.72119	1.0
157.10135	4.5
158.08145	5.9
165.12767	2.4
166.08624	1.3
166.12221	2.2
175.11143	5.0
177.12752	2.1
182.15410	2.9
184.13313	4.6
191.18614	1.1
193.12225	33.7
195.13802	2.6
202.94302	1.1
206.15405	1.3
210.14830	11.7
211.13188	5.4
224.16553	3.2
234.14868	2.2
240.15930	1.4
250.18027	2.2
252.15956	12.5
260.16422	4.5
263.29028	1.2
267.15924	14.6
267.84979	0.9
268.19110	2.8
278.17450	12.0
285.16953	28.7
296.18506	4.0
307.56445	1.1
309.16855	1.6
326.19849	2.3
326.96490	1.1
344.20685	16.9
352.20959	1.2
362.21680	22.7
370.22253	8.3
382.95001	1.2
388.23248	100.0
389.23785	1.2
506.25601	2.2
507.07376	1.4
524.26703	2.7
532.27496	2.1
550.28552	99.5
551.28821	1.6
553.32794	1.3
568.32642	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	568.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26545	0.6
56.96571	0.7
67.39337	0.4
69.03442	0.7
69.13119	0.5
70.06567	0.9
71.58927	0.8
74.06062	0.6
79.05503	0.5
84.04512	0.7
85.02882	0.8
86.06044	1.5
91.05460	0.7
93.07052	1.5
95.04922	0.7
98.06031	1.0
103.05457	5.5
107.04947	4.6
120.08102	100.0
121.08537	0.5
123.04461	0.7
131.04924	2.9
136.07600	1.0
137.05832	0.5
142.03329	0.7
149.05948	1.8
163.03935	1.1
166.08635	54.7
170.08990	0.5
174.31044	0.5
177.03278	1.7
178.06892	0.6
182.08189	0.9
184.60017	0.5
193.79056	0.5
231.04559	0.6
316.54965	0.6
344.69275	0.5
351.07465	0.6
362.21640	1.1
388.23352	1.1
421.08197	0.9
550.28522	1.4
554.15344	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.9
55.01860	5.9
55.05509	25.7
57.03439	15.7
67.05503	40.4
69.03433	3.6
69.07059	14.2
70.06585	3.0
71.04985	6.8
71.59241	3.1
71.59609	3.1
79.05496	46.2
79.77712	2.1
81.03437	2.6
81.07060	45.0
83.04976	7.9
83.08611	9.7
91.05474	31.5
93.07037	26.8
95.04962	10.2
95.08607	33.9
97.06522	4.2
97.10146	6.7
103.05441	2.4
105.07024	30.5
107.04956	82.5
107.08604	21.8
109.06519	10.3
109.10132	13.2
111.08009	2.6
115.05536	3.5
117.07006	17.7
117.19577	2.4
119.08585	21.0
121.06496	3.0
121.10145	13.8
123.08061	9.7
124.99998	2.5
125.09655	5.9
128.06218	5.4
129.06993	17.7
131.08553	20.2
133.10143	14.8
135.08052	30.2
135.11696	8.8
137.09633	6.5
141.07013	11.5
142.07773	4.7
143.08566	20.8
145.06482	3.7
145.10120	19.1
147.11671	8.7
149.13278	4.2
151.11191	5.6
153.07034	3.5
154.07823	3.3
155.08539	25.1
157.10109	19.2
159.08076	5.4
159.11693	8.3
161.09636	3.5
161.13280	3.8
163.11159	3.0
165.06969	3.9
166.07777	2.5
167.08568	15.5
168.09386	4.8
169.10112	25.2
169.28674	2.3
171.11656	11.7
173.09666	3.9
173.13275	7.1
179.08545	7.9
180.09390	3.8
181.10126	14.5
182.10863	3.6
183.11673	18.9
183.62100	2.7
184.07338	3.4
184.10332	2.7
185.13274	10.1
187.11224	4.6
189.12750	3.7
193.10217	6.4
195.11700	17.9
197.09633	3.4
197.13261	15.3
199.11192	3.8
199.14845	4.5
201.12761	3.8
207.11749	5.7
209.13287	12.8
211.14856	8.6
221.13309	8.4
223.14891	8.1
225.12839	2.5
229.75986	2.8
235.14828	5.5
237.16438	5.1
241.15971	3.5
243.48969	2.5
263.20331	4.3
275.20090	9.9
299.20050	2.8
325.21750	4.0
335.23599	2.9
339.23248	3.9
345.24521	2.9
353.24655	3.0
365.24738	3.9
371.25778	4.2
384.26175	2.6
459.32629	4.7
460.45447	2.6
473.34146	3.3
475.35550	6.5
477.33679	5.7
493.36768	7.6
495.34525	22.7
509.36102	5.4
513.37427	8.3
531.38416	18.2
549.39337	32.3
567.26495	5.5
567.40430	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	16.4
56.52238	6.5
57.07067	9.7
58.78343	5.8
61.40123	5.7
67.05503	35.7
69.07053	23.3
69.28767	14.2
69.29179	56.1
75.79652	5.8
79.05485	29.7
81.07040	53.2
83.08605	8.5
91.05470	39.3
93.07050	48.5
95.04953	15.3
95.08607	42.8
98.20791	13.0
102.54350	5.3
105.07018	100.0
107.08579	57.0
109.06501	13.0
109.10139	33.2
115.05473	11.2
117.06998	11.5
119.08569	88.5
121.10142	58.5
123.08098	7.8
123.11680	20.2
129.06975	18.2
130.07809	5.7
131.08588	41.3
133.10118	57.7
135.11649	37.1
137.09566	9.8
141.06932	6.5
142.07753	11.0
143.08562	40.5
144.09320	12.5
145.10110	70.4
147.08003	9.3
147.11682	18.4
148.09679	6.8
155.08580	15.8
156.09328	13.0
157.10107	40.0
159.11668	42.7
159.82950	5.6
161.13225	23.8
165.09035	8.2
167.08556	9.2
167.10715	7.8
169.10130	25.5
170.10887	14.4
171.11664	34.9
173.13210	23.3
175.14821	24.4
179.08595	12.0
181.10120	15.2
183.11705	21.6
185.13246	18.7
187.14812	10.5
193.10080	13.8
194.10867	8.7
195.11658	26.2
196.12488	9.9
197.13200	25.7
199.14697	14.0
203.14243	15.7
204.29202	8.2
207.11736	12.3
208.12480	5.9
209.13203	21.3
211.14839	15.1
213.16437	8.6
221.13364	9.6
221.15355	7.3
223.14772	18.4
235.14832	7.5
247.14780	12.4
253.19385	6.8
261.16364	7.5
265.09106	6.4
265.19510	9.8
345.25677	12.1
346.26532	10.3
431.32849	6.7
444.57587	7.0
549.40411	9.9
567.33051	9.2
567.41656	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.3
55.05507	18.8
56.96567	3.8
57.03437	8.0
57.07074	3.0
60.08185	2.8
63.09418	2.0
67.05506	20.6
69.03452	3.3
69.07066	9.2
70.06571	3.7
70.76148	2.0
71.59287	4.4
79.05499	24.0
81.03419	3.5
81.07056	20.4
83.04988	3.5
83.08618	9.2
86.09708	9.7
91.05482	17.0
93.07045	13.5
95.04980	4.7
95.08588	19.8
97.10171	10.0
104.10758	6.0
105.07018	16.9
107.04959	24.4
107.08595	12.4
108.76125	2.7
109.06501	8.0
109.10163	7.5
115.05458	3.2
117.07004	8.8
119.08565	9.6
121.06490	2.6
121.10138	6.6
123.11710	2.4
125.00005	5.4
125.09617	7.6
128.06224	2.9
129.07037	11.5
131.08574	7.1
133.10129	6.8
135.08052	4.9
135.11687	4.4
141.07013	6.8
143.08553	7.0
145.10136	11.3
147.11725	4.5
153.07089	2.7
154.07794	3.3
155.08569	8.5
157.10136	10.1
159.11682	5.9
167.08563	5.2
169.10132	12.7
171.08035	2.9
171.11699	6.3
179.08649	4.5
181.10112	8.5
183.11725	12.4
184.07358	28.0
185.13301	5.4
189.11206	3.1
192.09277	3.0
195.11711	8.0
197.13271	7.2
199.14763	3.3
202.75725	2.7
209.13226	6.0
211.14801	4.1
221.13283	5.3
223.14870	2.7
241.15974	2.7
269.12308	2.8
351.20093	6.5
363.27023	2.9
365.24478	3.3
368.84286	2.4
369.21228	4.6
374.49142	2.6
381.27722	6.2
495.34793	4.7
496.65427	2.8
513.37048	3.2
531.38129	8.2
549.39563	10.7
567.27631	100.0
567.40295	31.8
568.27899	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	567.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01828	2.0
53.03934	7.2
55.01861	7.7
55.05266	4.3
55.05509	56.9
57.03437	26.8
57.07059	2.9
65.03921	7.3
67.05499	100.0
68.33953	2.4
69.03412	6.5
69.06718	3.7
69.07062	47.9
69.83360	12.9
71.04979	8.7
73.02996	2.4
79.05486	77.8
80.39624	2.1
81.03413	20.4
81.07053	94.6
83.04967	7.5
83.08611	22.9
85.06534	12.0
91.05474	98.6
93.06461	5.3
93.07038	76.2
95.04952	17.0
95.08595	62.3
97.02858	4.7
97.06516	30.1
97.10165	17.4
99.08059	8.6
103.05475	4.7
105.07025	97.6
107.04965	26.5
107.08590	51.0
109.02808	3.1
109.06503	34.8
109.10146	39.0
111.04479	3.1
111.08054	5.3
113.09709	2.7
115.05423	3.5
116.06206	2.8
117.07011	41.0
119.08573	72.3
121.06508	8.4
121.10147	30.2
123.08028	7.4
123.11722	3.1
125.09640	12.7
128.06195	7.4
129.07010	31.1
131.08563	49.5
133.06480	2.9
133.10124	58.6
135.08015	9.9
135.11687	13.7
135.86182	2.8
137.09569	4.7
141.06989	14.9
142.07722	9.7
143.08542	29.8
144.09337	4.9
145.06506	6.1
145.10104	43.6
147.08058	4.2
147.11691	36.1
148.86441	2.2
149.09631	5.7
149.13226	8.2
153.06984	3.6
153.09082	2.7
154.07787	4.0
155.08531	33.4
155.46304	2.9
156.09312	4.6
157.10110	38.0
159.08102	3.6
159.11684	32.2
161.09637	5.4
161.13240	10.2
163.11194	5.0
165.06963	7.5
165.12746	3.4
166.07794	4.4
167.08575	15.2
168.09283	4.4
169.10135	31.0
171.11661	26.0
173.09645	3.7
173.11815	5.0
173.13232	13.5
175.11147	4.8
177.12706	5.7
178.07582	3.9
179.08510	6.5
180.09296	3.4
181.10118	21.0
182.10893	3.9
183.11694	36.3
185.09575	3.3
185.13226	17.6
187.11159	7.7
187.14786	5.1
193.10231	13.0
193.11891	3.3
195.11674	18.9
195.13589	4.1
197.13330	20.1
199.11249	4.0
199.14806	8.9
201.12666	5.3
201.16397	2.6
203.14299	4.5
205.10130	2.6
205.15918	2.5
207.11690	8.7
209.13313	17.0
211.14815	10.2
213.16402	5.2
215.14301	3.5
219.11697	4.3
221.13252	11.4
221.15228	5.1
223.14845	9.3
225.16394	7.2
233.13188	4.9
235.14760	5.0
237.16353	6.6
239.17874	9.2
247.14728	4.1
257.18893	14.2
263.17877	3.7
273.18362	8.0
275.20056	80.9
277.21628	10.3
291.19501	17.5
297.18478	5.4
299.20221	4.4
307.20505	4.2
311.19846	3.0
313.21506	8.3
318.06302	2.5
321.22269	3.1
325.21487	6.0
327.22971	3.7
339.23029	4.0
351.22964	3.0
353.24698	3.9
367.26425	4.5
379.26349	4.4
381.27798	8.8
393.28381	3.2
395.29590	3.2
455.31229	3.8
459.32538	5.0
461.20529	2.8
471.34851	3.3
477.33307	4.5
481.32886	4.2
493.36520	2.9
495.34790	21.8
509.36530	3.8
513.37213	8.5
531.38342	17.4
549.31445	2.6
549.39331	40.6
567.31567	30.1
567.40173	96.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.3
55.05507	18.8
56.96567	3.8
57.03437	8.0
57.07074	3.0
60.08185	2.8
63.09418	2.0
67.05506	20.6
69.03452	3.3
69.07066	9.2
70.06571	3.7
70.76148	2.0
71.59287	4.4
79.05499	24.0
81.03419	3.5
81.07056	20.4
83.04988	3.5
83.08618	9.2
86.09708	9.7
91.05482	17.0
93.07045	13.5
95.04980	4.7
95.08588	19.8
97.10171	10.0
104.10758	6.0
105.07018	16.9
107.04959	24.4
107.08595	12.4
108.76125	2.7
109.06501	8.0
109.10163	7.5
115.05458	3.2
117.07004	8.8
119.08565	9.6
121.06490	2.6
121.10138	6.6
123.11710	2.4
125.00005	5.4
125.09617	7.6
128.06224	2.9
129.07037	11.5
131.08574	7.1
133.10129	6.8
135.08052	4.9
135.11687	4.4
141.07013	6.8
143.08553	7.0
145.10136	11.3
147.11725	4.5
153.07089	2.7
154.07794	3.3
155.08569	8.5
157.10136	10.1
159.11682	5.9
167.08563	5.2
169.10132	12.7
171.08035	2.9
171.11699	6.3
179.08649	4.5
181.10112	8.5
183.11725	12.4
184.07358	28.0
185.13301	5.4
189.11206	3.1
192.09277	3.0
195.11711	8.0
197.13271	7.2
199.14763	3.3
202.75725	2.7
209.13226	6.0
211.14801	4.1
221.13283	5.3
223.14870	2.7
241.15974	2.7
269.12308	2.8
351.20093	6.5
363.27023	2.9
365.24478	3.3
368.84286	2.4
369.21228	4.6
374.49142	2.6
381.27722	6.2
495.34793	4.7
496.65427	2.8
513.37048	3.2
531.38129	8.2
549.39563	10.7
567.27631	100.0
567.40295	31.8
568.27899	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	567.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95093	0.2
51.02368	0.6
53.03928	1.3
55.85759	0.3
57.67012	0.2
61.43654	0.3
67.05490	0.7
68.11330	0.3
69.07047	0.5
73.06544	0.6
77.03899	0.6
79.05486	5.7
81.07024	0.6
87.04456	4.2
89.06023	31.0
91.05468	5.9
93.07037	4.2
95.04971	3.7
95.08591	0.6
103.04785	0.4
103.05463	5.9
105.07021	100.0
106.07381	0.7
107.04937	1.0
107.07050	1.2
107.08570	0.5
117.07023	1.0
119.04942	1.1
119.08581	2.4
121.06496	22.4
128.06235	0.6
129.07001	1.4
130.08626	0.8
131.07022	0.8
131.08571	3.4
132.05728	0.3
133.08592	18.0
133.10191	0.7
135.08023	0.4
143.08496	0.4
145.06496	0.4
145.10110	0.6
147.08034	12.9
149.09596	3.3
155.08456	0.3
161.13263	0.2
165.09105	7.4
166.07794	0.4
169.10085	0.4
173.09613	0.4
175.09630	0.4
177.11223	5.1
181.10129	0.6
183.11601	0.4
191.10835	0.4
192.09325	0.4
194.04984	0.3
195.11865	0.4
209.11595	2.9
209.13107	0.5
221.13693	0.5
223.11139	1.5
223.15089	0.3
225.12738	6.4
225.14957	0.4
227.12804	0.6
232.94534	0.3
249.12793	0.9
251.14337	1.4
253.14490	0.4
269.15366	3.9
271.15411	1.3
315.18015	1.2
327.26611	0.3
359.20569	7.0
373.21841	0.5
463.26566	0.5
567.40509	1.0
572.10150	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.8
52.73066	0.4
52.75665	0.4
53.03933	1.2
55.05500	0.7
59.04988	0.5
65.03939	0.4
66.63955	0.4
67.05497	1.9
69.07057	0.5
69.36556	3.1
69.36964	0.7
73.06556	0.6
77.03924	0.7
79.05485	6.2
81.07047	1.5
83.08611	0.4
87.04462	4.5
89.06023	29.9
90.37236	0.4
91.05472	6.7
93.07040	4.7
95.04963	3.4
95.08606	1.3
103.05456	6.1
105.07023	100.0
106.07372	0.5
107.04961	0.8
107.07037	1.4
107.08575	1.1
109.10155	1.1
117.07002	1.1
119.04937	1.4
119.08567	3.2
121.06493	22.8
121.10141	1.1
129.06990	1.9
130.08638	0.7
131.07033	1.0
131.08551	3.3
133.08592	18.7
133.10069	1.8
135.11705	1.1
143.08569	0.4
145.10117	0.8
147.08044	12.6
149.09599	2.3
151.11130	0.7
155.08542	0.7
157.10094	0.9
157.57376	0.4
159.11674	0.4
165.07098	0.4
165.09103	7.2
169.10149	0.5
171.11688	0.5
173.13281	0.5
175.09692	0.4
177.11221	5.0
179.08649	0.4
179.10789	0.5
181.10161	0.5
185.85574	0.4
195.11847	0.5
203.89165	0.4
209.11665	3.2
209.13379	0.6
223.11226	0.9
225.12688	5.8
227.12811	0.5
245.13501	0.4
249.12674	1.1
251.14340	1.0
253.14474	0.8
258.11966	0.5
269.15369	4.6
271.15372	2.3
315.18005	1.2
359.20645	6.8
373.21475	0.9
378.85349	0.5
463.26736	1.0
567.40820	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.4
53.00280	1.3
53.03940	7.0
55.01854	3.3
55.05267	1.8
55.05511	25.0
55.29968	1.2
56.05027	3.3
57.03423	5.5
57.07060	2.9
59.05015	2.5
63.36871	1.1
65.03928	4.2
67.05503	100.0
69.03424	17.5
69.07068	21.0
69.31427	4.8
69.31856	9.0
70.02957	6.9
71.04993	8.6
73.02898	1.4
74.94218	1.3
79.05486	28.5
81.03416	62.8
81.07054	53.1
83.04964	10.2
83.08615	14.4
85.02892	6.5
85.06513	4.6
87.04472	2.1
89.06021	3.1
91.05472	28.3
93.06469	2.4
93.07039	39.8
95.04957	10.0
95.08604	16.0
97.02872	11.5
97.05882	1.2
97.06530	4.7
97.10155	8.6
99.04440	4.4
99.08115	1.7
103.05471	4.4
105.07028	16.8
107.04976	7.2
107.08588	17.5
107.31392	1.4
109.02881	15.3
109.06532	3.5
109.10146	52.9
111.04448	9.6
111.08099	6.3
113.97976	1.2
117.07006	10.0
119.08582	10.7
121.06502	63.1
121.10117	10.3
123.04344	2.7
123.08031	1.9
123.11656	2.8
125.09617	5.8
126.12821	6.3
127.03909	9.0
129.06984	3.7
131.04936	1.7
131.08531	8.4
133.06464	1.6
133.10103	7.5
135.08057	2.3
135.11702	4.8
137.09550	3.3
139.11151	1.6
141.06917	2.1
143.08533	1.8
145.06450	2.7
145.10089	1.9
147.08080	2.2
147.11700	4.5
149.09637	2.1
149.13223	11.7
151.11156	1.9
155.10687	2.9
157.10092	2.2
158.97672	2.7
159.08139	1.5
159.11723	8.2
161.13300	1.4
163.11156	1.5
165.12711	2.3
167.13010	1.9
171.08038	1.4
171.11691	1.9
173.11746	21.4
173.13182	2.6
175.11153	1.7
177.12732	4.5
183.11801	2.0
189.11256	5.5
190.08626	31.5
195.12257	1.4
195.13776	8.6
209.72849	1.4
213.14748	2.5
219.13647	1.5
227.12767	3.3
229.14313	8.3
246.18491	16.4
267.16028	2.0
269.17484	2.9
274.18018	9.0
275.16403	1.7
285.14825	1.4
299.14859	6.0
303.15955	2.2
305.17322	2.0
310.91733	1.4
321.17020	3.7
339.17978	4.6
355.17499	5.7
377.19632	1.7
395.20578	5.7
423.27542	11.1
475.35699	1.8
489.28082	1.9
531.28949	1.8
543.53284	1.7
549.30426	5.6
549.38556	1.9
567.32428	77.6
567.40149	6.5
568.04633	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.6
56.96571	0.4
57.03403	0.4
67.05513	1.6
69.03450	0.4
69.07039	0.5
70.03078	1.5
74.68037	0.3
77.05250	0.3
77.90786	0.3
79.05489	0.9
81.03402	0.9
81.07044	1.3
83.01064	0.4
85.02896	0.7
86.09653	0.3
91.05447	0.9
93.07050	0.6
93.24096	0.3
95.04964	0.7
95.08628	0.4
95.67751	0.3
95.95488	0.3
97.78810	0.3
99.65123	0.3
103.29219	0.3
105.07001	0.4
107.04960	2.5
107.08589	0.5
109.10141	1.1
119.08581	0.6
121.10155	0.3
127.15105	0.3
131.00136	0.4
133.10106	0.3
145.06419	0.4
146.73273	0.3
185.04225	0.7
201.03639	0.3
203.05295	1.4
215.11542	0.3
259.07834	1.9
283.15112	0.4
331.10068	0.9
345.21176	0.9
363.08441	0.4
363.22025	2.2
387.16486	0.4
387.21173	0.4
398.20554	0.4
405.22696	1.9
469.20401	0.5
478.58731	0.3
567.27649	100.0
568.28021	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.5
53.03938	6.2
55.01869	2.2
55.05507	20.1
56.05026	2.9
57.03431	5.9
57.07068	5.7
57.44860	1.6
59.04979	3.1
64.15614	1.4
65.03927	4.1
67.05501	100.0
68.05022	2.0
69.03426	16.9
69.07060	27.2
70.02953	6.4
71.04990	7.5
79.05486	24.7
81.03412	53.8
81.07052	48.6
83.04974	10.5
83.08610	13.4
85.02905	5.3
85.06545	3.5
87.04497	1.6
91.04613	1.5
91.05476	29.7
93.07037	35.2
95.04959	13.3
95.08607	15.1
96.05601	2.2
97.02888	11.5
97.06540	6.6
97.10165	6.7
98.20721	5.8
99.04429	3.3
99.08115	2.5
103.05468	3.8
105.04507	1.6
105.07021	17.7
107.04919	8.1
107.08581	15.7
108.05375	1.4
109.02891	13.3
109.06535	3.9
109.10151	53.5
111.04439	9.7
111.08088	4.7
117.07030	8.4
119.08565	9.0
119.35432	1.4
121.06496	93.4
121.10132	6.4
123.04425	3.5
123.08061	1.4
123.11691	3.4
125.09594	4.3
126.12801	8.5
127.03920	9.2
129.05547	1.5
129.06975	2.7
131.04918	2.3
131.08542	7.7
133.06502	2.5
133.10106	10.4
135.08008	1.8
135.11700	5.4
137.05989	2.1
137.09583	4.0
139.11111	2.0
141.01039	2.3
143.08578	2.4
145.10080	2.7
147.08054	1.5
147.11674	6.0
149.09647	2.5
149.13242	8.1
155.08563	3.3
155.10651	1.8
157.10088	3.2
158.97609	2.7
159.11642	8.6
161.13359	1.7
165.12849	2.2
171.08092	1.4
173.04448	2.0
173.11743	19.3
173.13200	2.2
175.11113	2.1
177.12688	3.4
183.06554	1.9
183.11710	2.1
189.11217	4.5
190.06883	2.7
190.08604	46.1
190.10246	2.8
195.12065	1.8
195.13666	8.4
196.84152	1.4
197.07288	2.7
213.14972	3.9
227.12631	3.6
229.14293	8.0
229.99838	1.8
246.18529	20.9
267.15945	2.5
269.17404	3.5
274.18045	15.3
275.16394	2.4
299.14880	5.9
303.15787	2.2
321.16803	3.6
339.17996	6.2
355.17548	3.5
395.20581	6.2
419.19113	1.7
423.27426	9.9
440.27328	2.2
489.58170	1.7
549.30475	5.8
567.31183	65.1
568.04810	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	567.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32655	0.4
53.03931	0.5
55.05494	1.5
55.54902	0.4
56.96568	0.7
59.00634	0.3
62.30506	0.3
64.32264	0.4
64.47724	0.4
67.05502	2.6
69.03432	0.6
69.07079	0.9
70.06604	0.4
71.04959	0.5
71.59553	0.6
79.05486	1.3
81.03410	1.4
81.07061	2.0
85.02880	0.5
89.06042	0.6
91.03927	0.4
91.05469	2.0
93.07024	1.5
94.27410	0.3
95.04930	0.8
95.08594	0.9
97.02911	0.7
97.75856	0.3
107.04961	2.5
107.08594	0.7
109.10117	1.1
117.07008	0.5
120.08944	0.4
121.06447	0.4
121.10103	0.5
125.09650	0.3
131.08589	0.5
133.10101	0.5
135.08075	0.4
138.28455	0.4
185.04214	1.1
188.06717	0.4
203.23369	0.4
259.08011	0.8
269.12314	0.5
272.73929	0.4
331.09946	1.7
387.16101	0.6
405.22577	1.7
469.20123	0.7
567.27625	100.0
568.27661	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	567.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.3
55.01854	0.3
55.05498	0.6
56.05035	8.1
61.01149	8.1
67.05499	1.4
69.03440	0.3
69.07047	0.3
69.82037	1.5
70.02940	0.7
70.06577	0.8
73.02900	0.4
74.06085	0.3
79.05482	1.1
80.04965	0.2
81.03401	1.0
81.07030	0.6
83.04944	0.3
83.08600	0.3
84.08131	0.3
85.02917	0.4
86.06019	0.2
86.09708	4.6
88.03986	7.2
91.05472	2.6
93.07028	2.1
95.04964	0.7
95.08604	0.4
97.02914	0.5
97.10167	0.3
98.02380	0.3
98.06049	5.9
98.20840	0.5
103.05463	3.9
104.05324	19.3
105.07030	0.6
107.04956	2.1
107.08587	0.5
109.02871	0.3
109.10178	0.3
119.07367	0.3
119.08582	0.4
119.42452	0.2
120.08096	100.0
121.08389	0.4
121.10152	0.3
129.07022	0.4
130.06520	3.3
132.10168	1.1
144.08070	1.3
146.06339	15.1
146.43141	0.2
147.09155	0.5
149.09566	0.3
163.04013	0.3
172.07550	1.4
174.05836	14.2
175.08655	3.1
176.07129	0.3
190.08620	1.7
200.07048	0.7
217.09700	1.2
218.08089	0.4
233.16595	0.3
235.10764	16.5
236.11256	0.3
245.09355	0.7
246.22951	0.2
263.10260	6.3
279.16995	7.0
289.08511	13.5
289.26923	0.3
319.06909	0.3
330.18121	0.7
376.18613	0.7
394.19778	0.6
394.80414	0.3
408.15945	1.8
436.15317	1.2
549.23218	0.4
567.29956	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
55.01866	2.7
55.05511	0.5
55.16124	0.4
57.03423	1.6
60.67307	0.4
61.02906	1.2
62.45156	0.4
67.05490	1.0
68.99783	1.7
69.03426	7.0
70.06587	15.9
70.71922	0.8
70.72283	0.7
71.04991	2.4
71.06876	0.4
72.08150	2.0
72.08489	0.4
73.02905	1.7
74.06061	0.5
79.05485	1.2
81.03413	9.4
81.07038	1.1
83.01341	0.5
83.06087	0.5
83.08564	0.4
84.04502	0.7
84.08137	1.8
85.02901	13.8
86.06042	0.7
86.09184	0.5
86.09702	4.7
87.00819	5.3
87.04483	0.7
91.03963	0.7
91.05457	1.0
91.27557	0.3
93.07042	0.8
95.04965	0.8
97.02888	6.0
98.06063	0.6
99.04452	3.2
103.05486	0.4
104.07107	0.6
105.01853	3.2
105.07018	0.5
107.04946	7.9
107.08595	0.5
109.02875	7.9
110.07171	1.2
111.00761	0.5
114.09126	0.6
114.70199	0.4
116.07109	0.6
117.01845	1.1
119.04950	0.7
120.08100	1.2
121.02863	1.5
121.06478	0.6
121.10141	0.5
123.04457	0.8
127.03906	12.1
129.01811	1.2
129.10249	1.2
131.04968	0.5
135.11664	0.5
137.02347	6.5
137.03381	0.6
137.05969	0.8
141.10228	1.2
145.04939	3.2
145.10133	0.6
147.02852	0.8
147.04414	0.7
152.07124	0.5
153.01830	2.9
155.08205	0.7
159.02888	5.7
161.05971	0.9
162.05437	0.4
162.56137	0.4
163.03958	0.7
165.01797	0.8
169.01311	2.8
169.09677	0.7
171.04321	0.7
173.09550	0.5
181.01277	1.3
183.14952	1.8
189.05540	0.8
199.03893	0.6
203.03279	0.6
211.14371	1.1
213.12366	0.7
217.04982	1.8
224.10320	1.4
227.03305	0.7
231.02876	0.5
231.05031	1.9
242.11536	0.4
245.04407	4.3
251.10674	0.5
255.02863	0.5
263.05505	0.6
273.03937	5.2
282.18167	0.5
283.15332	0.4
286.17606	4.5
290.04184	0.7
301.03391	6.6
302.03885	1.9
303.04922	0.7
319.04456	100.0
320.04758	1.5
386.21741	3.2
387.22238	2.0
399.03247	0.5
404.23126	0.5
496.98141	0.5
524.22693	0.5
567.28320	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
55.01863	1.2
56.05006	0.5
56.96558	0.5
57.03440	0.7
61.02913	1.4
68.05030	0.7
68.99789	0.8
69.03420	3.4
69.77660	3.1
70.06590	26.2
71.04993	3.6
71.47711	0.5
72.08147	1.8
73.02943	1.1
79.05489	2.2
81.03411	3.7
81.07051	1.0
84.04491	1.2
84.08143	3.1
85.02904	9.8
86.06045	0.9
86.09699	7.5
87.00827	1.4
87.04477	0.7
91.05473	1.9
93.07023	1.1
95.04953	2.8
97.02889	3.9
97.06519	0.9
98.06059	0.8
98.20826	0.9
99.04465	1.5
103.05460	2.2
105.01881	0.6
105.07019	2.0
107.04950	100.0
108.05296	1.2
109.02860	3.0
110.07154	0.8
115.05434	1.4
116.98584	0.7
117.06983	3.2
118.97909	0.6
119.04947	1.8
120.08075	1.7
121.02862	2.0
121.06515	1.0
123.04388	0.6
127.03912	5.2
128.06161	0.5
129.07005	2.3
129.10216	1.1
130.04979	0.8
131.04919	10.8
132.05684	0.5
133.06491	10.0
133.10149	0.7
135.08051	1.5
136.03954	0.7
136.07550	0.6
137.02347	2.8
137.03293	0.5
137.05995	1.0
141.07014	0.7
141.10210	2.4
145.05002	2.1
145.06477	26.5
147.04454	1.0
149.06024	1.0
152.07100	0.5
153.01808	1.0
155.05997	1.2
157.06476	6.2
158.08167	0.6
159.02895	0.8
161.05916	0.5
163.07535	10.7
169.01318	0.8
169.06516	3.9
169.09772	2.4
175.07500	1.2
183.14940	3.5
187.07529	2.4
189.12320	0.6
194.07274	0.7
202.07706	0.7
203.08461	0.6
207.08113	0.9
211.14449	2.0
213.09192	0.6
213.12149	0.6
217.04948	0.8
217.08318	0.6
217.10175	0.6
220.08823	1.2
221.09622	1.1
225.09303	0.7
231.08072	0.6
235.07587	0.7
235.11235	2.3
236.08189	0.8
237.09077	1.1
245.04453	1.2
245.09583	1.0
246.10631	0.6
248.08362	1.4
249.09132	1.4
251.10670	15.0
263.10654	15.1
267.10034	0.6
273.03949	2.1
281.11630	3.5
286.17578	7.6
301.03458	1.9
302.03674	1.2
319.04471	24.4
320.04865	0.9
379.23450	0.5
387.21899	0.7
399.26120	1.1
425.15662	1.2
443.17050	4.0
447.32620	0.6
567.28632	2.2
567.35840	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05014	0.4
56.17148	0.3
56.96563	0.4
58.06581	2.5
59.07374	1.8
60.07878	0.5
60.08165	6.3
65.77068	0.2
67.05491	0.8
69.07056	0.4
70.06586	0.9
71.07375	3.2
71.20728	0.6
79.05507	0.3
81.07063	0.7
84.08134	0.5
86.09707	30.0
88.70655	0.3
90.48140	0.3
91.05462	0.4
93.07050	0.5
95.08588	0.4
98.98471	3.0
104.10751	5.5
107.04958	1.7
110.07136	0.3
125.00008	21.4
133.06453	0.3
145.06506	0.4
145.42705	0.3
167.22127	0.3
184.07343	100.0
185.07698	1.0
205.96205	0.3
210.08882	0.5
232.54565	0.3
239.09146	1.2
258.11035	0.3
264.15289	0.3
281.15875	0.3
282.16180	0.3
325.12369	0.5
331.10120	0.4
334.19339	0.7
342.76556	0.3
351.20071	0.7
352.20267	2.1
375.17081	0.3
425.26642	0.6
433.25604	0.3
462.22836	0.6
480.23431	0.6
566.31415	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.3
56.02580	0.3
56.05032	0.6
56.96557	0.5
57.03423	0.5
58.06582	0.7
59.07378	0.4
60.07888	0.3
60.08165	6.2
67.05496	0.7
69.07063	0.4
70.06576	0.7
71.07371	3.3
71.59398	0.3
72.08118	0.3
76.10308	0.2
79.05487	0.8
81.07035	0.5
84.08118	0.3
86.09707	31.4
86.26895	0.3
91.05481	0.7
93.07041	0.6
95.08665	0.2
98.98480	2.8
104.10752	4.6
104.51449	0.3
105.07056	0.3
107.04962	2.6
107.08610	0.3
109.10165	0.3
109.75327	0.3
116.98621	0.3
119.08571	0.8
121.02867	0.7
125.00003	19.8
129.07002	0.3
131.04930	0.4
131.08574	0.3
133.06497	0.4
143.01073	0.6
145.06429	0.3
149.01250	0.7
158.99631	0.3
167.02252	0.5
184.07343	100.0
185.07635	0.8
217.20796	0.3
234.83330	0.3
275.20389	0.4
284.12659	1.9
284.62888	0.4
324.46689	0.3
349.16742	0.5
446.23352	0.3
464.24118	5.6
500.03433	0.3
518.16583	0.3
548.29742	0.4
566.31091	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	10.1
56.94074	3.8
57.07064	7.3
59.97762	3.5
62.72962	3.8
67.05496	27.0
67.39540	3.8
69.07056	15.5
71.31401	9.1
73.67734	3.8
79.05492	24.5
79.69868	4.3
81.07053	38.0
83.08604	10.0
86.43102	4.0
91.05486	33.8
93.07040	31.1
95.04945	13.9
95.08589	23.0
96.54504	4.2
97.06528	7.2
103.05388	4.5
105.06391	5.3
105.07030	67.4
107.04954	100.0
107.08583	41.3
108.05283	36.7
109.05676	4.1
109.06483	6.1
109.10123	28.1
115.05436	5.8
117.06982	10.8
119.08571	63.9
121.10143	45.5
123.08082	4.5
123.11719	12.1
125.15318	4.5
128.06229	4.6
129.06987	9.7
130.07716	5.1
131.08569	23.0
133.10120	58.2
135.11684	29.1
137.09564	8.6
142.07793	9.0
143.08528	17.7
145.10132	32.7
147.07990	7.8
147.11688	16.4
149.09534	5.7
155.08549	10.4
156.09291	6.7
157.10115	27.8
158.10838	7.8
159.07979	5.4
159.11716	20.9
161.09622	6.0
161.13188	9.8
169.10129	14.4
170.10974	5.3
171.11676	17.1
173.09555	4.5
173.13243	23.4
175.14810	14.5
179.08412	4.8
181.10136	11.6
183.11688	17.8
185.09531	5.3
185.13235	14.1
187.14789	23.2
193.10150	7.6
194.10883	6.0
195.11658	13.5
196.12460	4.7
197.13229	17.9
199.11221	5.5
199.14771	9.8
201.16417	5.1
207.11624	8.6
208.12471	5.2
209.13249	13.7
211.11166	4.3
211.14771	4.9
213.16405	11.0
214.94566	4.4
219.11740	6.3
221.13237	8.6
223.14792	7.7
225.16277	4.7
227.14293	4.7
230.10999	4.4
231.11580	5.3
235.14801	5.6
245.13286	6.1
249.16306	8.0
259.14639	4.9
271.09155	4.1
287.17767	4.7
290.65576	4.0
302.50970	4.2
311.17709	4.8
347.23804	5.0
359.23712	5.2
361.25244	5.9
427.29712	5.5
458.33270	5.2
459.33609	17.3
547.39252	14.7
564.90314	9.4
565.40424	92.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77308	1.2
53.03946	2.6
55.05506	11.9
57.07068	7.2
64.95641	1.4
65.03932	2.0
67.05502	26.4
69.03431	2.5
69.07064	19.7
71.34079	3.3
79.05492	17.5
81.03323	1.7
81.07050	35.3
83.08622	7.4
83.77462	1.7
91.05472	37.1
93.07039	42.8
95.04974	9.2
95.08603	35.3
103.05461	3.8
105.07025	69.4
107.08588	47.7
107.09292	3.3
109.05867	1.6
109.06516	9.2
109.10150	46.1
111.08099	2.0
115.05437	5.4
117.07005	17.0
118.22598	1.7
119.08574	100.0
121.06544	3.3
121.10137	65.0
123.08059	7.3
123.11706	9.5
128.06221	10.8
129.06975	12.4
130.07753	3.8
131.08556	34.4
133.06493	3.3
133.10121	48.8
134.07454	1.5
135.08064	5.5
135.11673	24.8
141.06976	7.4
142.07770	19.8
143.08559	37.7
144.09309	5.9
145.06491	1.5
145.10112	53.8
146.07376	1.7
147.08035	3.5
147.11661	16.8
149.09622	4.3
149.13315	1.9
153.07002	3.0
155.08546	16.7
156.09338	14.0
157.10117	58.8
158.10875	5.9
159.08051	7.1
159.11679	24.7
159.12877	2.6
161.09596	3.2
161.13271	5.3
165.07011	4.8
166.07822	3.9
167.08565	10.2
167.10681	9.0
168.09364	7.0
169.10130	29.9
170.10869	5.3
171.08022	1.7
171.11685	27.7
172.12343	1.8
173.09647	8.1
173.13257	17.4
175.11185	4.8
175.14809	24.1
179.08569	9.1
180.09369	5.8
181.10127	19.4
182.10907	11.7
183.08011	1.9
183.11681	29.4
184.12375	3.8
185.09654	4.5
185.13232	13.6
187.11163	5.2
187.14902	7.6
189.12694	4.1
191.08633	2.5
192.09370	5.6
193.10077	12.2
194.10907	7.0
195.11700	20.0
196.12454	6.3
197.09648	2.6
197.13237	26.0
198.14021	3.7
199.11226	11.1
199.14839	5.5
201.12712	3.8
201.16348	4.2
203.08582	2.3
203.14349	1.9
205.10046	1.8
206.10918	4.7
207.11656	14.3
208.12453	6.2
209.09503	1.8
209.13274	14.1
210.10483	2.5
210.14122	1.8
211.11223	5.7
211.14685	9.0
213.12778	4.9
213.16365	6.4
215.14331	3.6
217.10158	3.4
218.10860	4.4
219.11699	5.2
220.12451	3.4
221.13289	9.6
222.14029	2.8
223.11311	2.2
223.14764	16.6
224.15456	2.6
225.12724	7.4
225.16377	4.8
227.14340	1.8
227.17950	2.6
230.10866	3.0
231.11642	4.4
232.12378	4.7
233.13223	8.4
233.15335	3.4
234.13908	2.9
235.14798	6.2
237.16368	4.3
238.17001	2.0
239.14343	2.2
239.17885	7.3
241.15915	5.0
244.12372	2.8
245.13281	5.3
246.14047	2.8
247.14786	8.6
248.15553	3.4
249.12689	1.8
249.16429	4.6
249.73830	1.9
251.18098	2.2
253.16048	1.7
253.19374	2.6
256.12430	1.6
257.13208	2.0
259.14731	4.0
261.16464	3.8
264.32263	1.5
265.15918	2.2
265.19296	1.6
271.14841	4.8
273.16171	2.5
273.18539	19.4
275.17868	2.9
277.15939	2.2
279.20990	4.8
281.19037	1.8
281.90195	1.5
285.16406	2.2
287.17752	2.1
289.11493	1.8
289.15555	1.8
291.17606	2.0
291.20926	2.1
297.16266	1.9
299.20120	29.2
315.20944	3.2
325.21628	3.0
343.24179	2.2
351.23151	2.0
363.22879	2.8
375.22903	2.2
473.33865	3.2
565.40405	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53071	3.6
53.03955	6.7
54.89624	3.9
55.05499	14.2
57.07067	9.2
58.43652	4.0
59.05005	4.8
65.03911	5.1
67.05495	28.1
69.07048	13.7
69.31091	43.9
79.05491	24.6
79.09973	3.5
80.11559	3.9
80.12045	3.9
81.07043	37.3
83.08633	9.1
85.03403	4.2
85.10207	4.2
90.47569	3.8
91.05481	48.6
93.07028	45.2
95.04945	6.4
95.08597	32.9
103.05467	9.8
105.07014	80.7
107.08565	52.2
109.06496	7.7
109.10152	56.7
117.07027	19.2
119.08568	100.0
121.10123	65.4
123.08090	5.2
123.11679	15.2
128.06235	9.0
129.06979	15.1
130.07751	5.1
131.08537	33.5
133.10126	45.7
135.11687	32.5
137.09637	5.0
141.07010	9.3
142.07768	16.7
143.08559	38.6
144.09262	5.6
145.10104	60.8
147.11681	19.3
148.58757	4.1
155.08519	16.9
155.70987	4.8
156.09335	15.0
157.10120	62.2
158.10814	5.5
159.08000	9.7
159.11688	31.4
161.09578	10.7
161.13216	9.0
165.07034	7.5
167.08530	7.4
167.10692	9.2
168.09290	9.5
169.10130	26.6
170.11005	5.1
171.11636	29.2
173.09601	8.0
173.13168	19.8
175.11186	4.7
175.14806	37.5
179.08569	9.8
181.10097	14.3
182.10890	12.2
183.11699	23.5
185.09627	4.9
185.13181	11.2
187.14754	9.8
193.10123	13.3
194.10905	9.2
195.11685	22.6
196.12457	7.6
197.13258	27.7
199.11075	7.7
201.16376	8.3
205.10080	7.0
207.11682	19.3
209.13208	12.4
210.13890	5.0
211.11151	7.5
211.14781	13.3
213.16415	6.1
215.14317	4.6
219.11618	5.6
221.13249	11.3
223.14819	17.4
225.12659	10.0
225.16170	5.6
232.12593	4.6
233.13228	7.9
234.92093	4.1
237.12733	5.0
237.16333	8.1
239.14267	4.7
239.17941	9.7
241.15869	4.9
245.13254	5.2
246.13942	5.0
247.14897	7.0
249.16246	5.2
273.18442	45.0
279.20877	7.2
282.27853	7.8
299.20084	53.2
310.31183	4.9
352.34674	4.4
359.23541	4.6
361.24966	4.4
473.33728	8.6
552.71649	4.6
565.32678	5.8
565.40332	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49308	0.5
52.03172	0.6
53.03933	1.5
55.01852	0.6
58.44981	0.5
65.03928	2.5
66.12193	0.4
67.05496	1.9
69.03415	2.2
69.54181	2.8
69.54592	1.0
70.06579	1.8
72.08141	0.6
74.52327	0.5
79.05479	1.9
81.03380	0.7
81.07050	4.4
82.06525	0.5
83.06097	4.0
84.04492	4.3
84.08146	1.0
85.02888	1.0
86.06043	1.2
86.09706	1.1
91.05473	0.8
93.05744	0.8
94.06581	0.7
95.04959	2.1
96.08099	1.1
97.02850	0.7
101.07145	4.2
107.04945	41.0
107.07335	1.3
108.02083	2.2
108.05257	0.8
109.06498	0.9
110.06031	3.6
110.07135	0.6
111.04457	0.9
120.08101	10.0
121.02878	1.1
123.04441	0.6
123.06793	1.8
124.07582	6.3
126.05529	0.6
127.03901	1.3
129.06592	15.2
130.04996	1.5
131.04970	0.6
137.05966	24.5
138.05446	0.9
141.05470	3.5
147.07735	0.8
148.07544	0.6
151.03893	100.0
151.04974	5.9
152.04269	1.1
152.07048	34.4
161.98145	0.5
164.07076	0.8
166.08580	1.0
169.04825	0.6
170.08127	8.4
170.09552	1.3
182.08101	0.7
182.09662	0.9
190.08586	1.9
197.08340	3.0
198.09103	7.6
207.11287	5.2
209.08423	0.5
210.09106	5.7
211.09943	2.8
212.10695	17.6
212.12752	1.0
215.76945	0.5
224.10623	2.5
225.11598	0.9
226.12248	18.3
235.10764	8.9
242.11737	2.3
245.11365	0.7
252.10146	1.1
253.11879	0.5
256.09674	1.7
257.10498	0.8
258.11307	0.7
270.11194	5.1
271.12009	66.7
272.12753	12.7
279.09802	0.6
297.10791	5.7
304.13272	1.3
305.14532	0.7
313.09109	0.6
315.04831	1.1
333.75031	0.5
349.44974	0.5
364.15402	73.0
365.15723	0.9
367.16446	3.3
380.67889	0.5
385.13815	1.6
391.16492	2.2
403.15100	3.1
409.17471	4.5
427.18610	44.9
459.15894	0.8
512.58917	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
56.05034	0.5
65.03929	1.3
67.05491	1.2
69.03429	0.8
69.65952	3.8
70.06596	4.5
72.08130	1.3
79.05484	1.4
81.03432	0.8
81.07049	0.9
83.06097	5.4
84.04507	6.9
84.08132	1.3
85.02901	1.2
86.09709	2.5
95.04966	2.8
95.79116	0.5
97.02834	0.6
101.07135	4.8
107.04948	100.0
108.02099	1.6
109.02841	0.5
110.05991	0.6
113.07182	0.6
117.07372	0.5
120.08169	1.1
124.07581	1.6
129.06599	17.5
129.10167	0.8
130.05005	4.7
136.07573	1.1
137.05974	4.7
141.05515	2.7
147.07660	1.6
151.03900	75.2
151.04984	5.0
152.07065	5.6
163.03891	0.6
168.06638	0.8
170.08115	2.0
177.05553	0.5
190.08556	1.3
207.11317	4.6
212.10683	2.7
226.12253	2.3
235.10736	8.7
253.11810	2.8
271.11996	6.7
272.12778	6.3
279.09872	0.6
297.10788	11.7
299.05457	0.8
300.05777	1.0
302.13974	1.9
364.15372	5.4
369.16690	0.7
385.13773	1.2
397.16116	4.0
403.14966	8.8
409.17615	0.9
415.17072	2.5
427.18625	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	565.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
56.05034	0.5
65.03929	1.3
67.05491	1.2
69.03429	0.8
69.65952	3.8
70.06596	4.5
72.08130	1.3
79.05484	1.4
81.03432	0.8
81.07049	0.9
83.06097	5.4
84.04507	6.9
84.08132	1.3
85.02901	1.2
86.09709	2.5
95.04966	2.8
95.79116	0.5
97.02834	0.6
101.07135	4.8
107.04948	100.0
108.02099	1.6
109.02841	0.5
110.05991	0.6
113.07182	0.6
117.07372	0.5
120.08169	1.1
124.07581	1.6
129.06599	17.5
129.10167	0.8
130.05005	4.7
136.07573	1.1
137.05974	4.7
141.05515	2.7
147.07660	1.6
151.03900	75.2
151.04984	5.0
152.07065	5.6
163.03891	0.6
168.06638	0.8
170.08115	2.0
177.05553	0.5
190.08556	1.3
207.11317	4.6
212.10683	2.7
226.12253	2.3
235.10736	8.7
253.11810	2.8
271.11996	6.7
272.12778	6.3
279.09872	0.6
297.10788	11.7
299.05457	0.8
300.05777	1.0
302.13974	1.9
364.15372	5.4
369.16690	0.7
385.13773	1.2
397.16116	4.0
403.14966	8.8
409.17615	0.9
415.17072	2.5
427.18625	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	565.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59626	0.7
55.01854	1.2
55.05511	2.3
55.93529	5.4
67.05499	5.0
69.03429	3.8
69.43442	1.5
69.43843	5.2
70.06577	2.5
70.95849	2.2
71.04990	1.3
72.08150	0.9
72.93781	4.5
73.02906	0.7
79.05521	3.7
81.03405	7.7
81.07054	3.6
84.08144	1.2
85.02903	6.0
86.09671	1.1
87.00809	1.7
88.96882	1.1
90.94828	1.7
91.05476	4.2
93.07031	5.0
95.04950	3.4
95.08607	1.1
97.02901	2.9
97.06515	1.2
99.04446	1.1
105.01885	0.9
105.07024	5.8
107.04934	4.4
107.08603	2.3
109.02872	3.2
109.06517	2.8
109.10164	2.4
117.07052	1.3
118.07752	0.7
119.08568	2.4
121.02821	0.9
121.06491	5.8
121.10081	1.2
123.04396	1.5
123.08030	1.2
126.98466	0.9
127.03918	2.5
129.07030	1.0
131.04947	1.2
131.08601	1.3
133.06464	0.8
133.10121	0.9
135.08047	1.5
137.02332	1.7
137.05971	2.8
138.98424	1.3
145.06448	1.1
147.04367	1.3
147.11618	1.1
148.12486	0.7
149.05943	3.8
149.09613	1.7
151.07547	5.7
159.02867	1.8
159.04427	1.4
159.08018	1.2
161.05963	1.1
163.03873	4.9
163.07552	2.8
166.97903	1.8
167.03391	2.0
171.08072	1.4
173.02339	2.2
175.07542	1.8
179.03410	1.5
180.99504	1.1
182.97304	1.1
184.98868	1.6
185.09604	1.9
186.10353	0.8
187.03998	1.3
187.07523	1.2
189.09160	2.5
192.99454	2.1
193.12216	1.0
196.98889	1.4
199.00468	1.4
199.03810	1.4
203.10677	2.5
207.01146	1.0
208.98967	3.2
209.09711	0.9
211.00452	1.2
211.97670	2.1
213.05388	2.2
215.07024	1.3
223.00507	4.8
224.98424	1.8
225.01869	0.8
226.99959	2.6
232.98785	0.9
236.98450	2.8
237.01984	0.9
237.12921	1.3
239.00067	1.0
239.03619	1.9
241.01653	2.0
243.06529	1.7
244.01926	1.7
248.01521	0.8
251.00011	4.6
251.05344	0.9
253.06642	1.2
254.07434	1.0
254.99570	1.3
257.01218	0.9
261.02036	1.1
262.02798	1.9
265.01462	1.3
267.13852	2.9
268.05414	1.9
271.06100	1.0
274.04880	1.4
275.03568	1.1
277.01614	2.9
277.05093	1.2
279.03247	1.2
281.06253	2.9
283.04160	3.5
283.07764	2.3
283.13211	1.1
291.03110	1.5
296.04919	4.0
297.05707	1.7
301.01584	2.5
302.04266	1.4
309.06055	2.0
311.07242	30.9
311.12869	2.0
311.16187	0.8
313.05246	2.0
313.08795	24.2
315.03030	1.9
315.10461	1.0
317.06552	53.7
321.05856	0.9
325.05087	1.1
337.05154	2.2
337.14178	1.3
339.06763	26.1
339.10944	1.4
341.08282	4.0
355.15390	6.3
359.09406	2.9
380.27420	0.9
385.07394	2.7
402.09091	1.0
403.08383	100.0
404.08817	1.9
421.09445	21.9
426.09845	3.9
444.10861	4.6
564.34821	1.0
565.19562	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	565.1186
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03946	1.3
55.01866	1.3
57.03419	0.7
58.08017	0.1
61.02921	0.9
65.03932	0.2
65.33927	0.1
68.99781	0.6
69.03423	4.9
70.06583	1.4
71.04982	0.8
71.59982	0.2
72.08140	0.4
73.02919	1.1
77.39834	0.2
81.03413	6.0
84.04485	0.2
84.08118	0.4
85.02899	8.0
86.06084	0.1
86.09686	0.5
87.00824	3.4
87.04468	0.2
89.06037	0.3
91.03928	0.3
91.05391	0.2
93.03381	0.3
95.04956	0.3
97.02887	3.0
99.04450	2.0
100.07571	0.2
105.01854	1.8
107.04926	0.6
109.02869	5.2
117.01830	0.8
120.08108	0.4
120.31154	0.2
121.02853	0.6
121.09037	0.1
123.04443	1.2
124.01505	0.3
125.02324	0.5
127.03911	6.9
129.01756	0.7
129.10194	0.3
135.04390	0.2
137.02327	2.2
141.05426	0.2
145.02933	0.2
145.04944	2.0
147.02864	0.4
149.02336	0.2
151.03896	0.8
155.04955	0.2
159.02888	3.2
163.03906	0.5
167.03403	3.4
175.03809	0.1
179.03392	1.4
180.04123	0.3
183.04399	0.2
187.07530	0.3
197.04366	0.7
200.04678	0.4
201.50392	0.2
213.03773	0.2
215.07034	1.5
228.04160	0.4
231.04999	0.8
233.08014	0.3
243.06500	3.2
250.79121	0.2
251.09128	0.3
256.03613	0.3
257.04514	0.2
261.07535	0.6
271.05966	1.7
273.03888	0.4
274.04678	2.9
288.06161	0.8
299.05417	0.8
302.04150	2.4
303.04913	0.5
316.05466	0.2
317.06528	100.0
318.06805	1.1
504.34900	0.2
565.29645	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77749	0.4
55.05486	1.0
56.96554	0.9
57.03439	0.8
57.07069	0.6
59.04999	6.0
61.02915	1.0
67.05487	1.6
67.81461	0.5
69.03432	6.3
69.07071	1.1
70.06597	6.4
71.04984	1.6
71.60400	1.1
72.08149	1.9
73.02917	7.2
73.06557	5.0
79.05476	1.5
81.03440	1.3
81.07056	1.1
84.04492	1.8
84.08145	2.4
85.02905	2.3
85.06551	0.5
86.09717	4.3
87.00801	0.7
87.04465	100.0
87.15529	0.5
89.06030	31.7
89.92458	0.5
91.05481	1.1
93.07034	1.2
95.04971	5.9
95.08578	0.6
96.04600	0.6
97.02883	1.4
97.06526	3.4
99.04440	0.9
100.07616	1.4
101.07151	0.8
107.04956	7.1
107.07071	1.8
108.05253	0.6
109.06517	0.5
113.06007	22.6
117.09124	3.4
120.08110	1.5
121.02847	0.8
121.06543	0.6
123.04404	0.6
129.05498	0.8
129.10269	0.9
130.08669	0.8
131.07036	11.3
133.08603	17.7
136.07590	1.4
137.05972	1.2
139.07542	1.2
145.10117	1.1
148.68384	0.6
157.08612	5.2
161.02348	0.6
161.11780	0.8
163.03914	1.2
173.02354	0.8
175.09653	5.4
177.11198	5.4
195.12202	0.8
201.11212	3.1
204.06654	1.5
210.14925	0.6
215.06992	1.2
219.12216	2.9
221.13943	0.8
239.14828	0.7
245.13847	1.1
259.09427	2.7
283.17737	0.6
301.12018	1.0
311.12646	0.7
317.06598	4.1
327.20078	0.6
330.41718	0.5
483.27805	2.0
500.30530	0.8
564.35834	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78730	0.2
53.03930	0.3
55.01867	0.2
57.03416	0.6
61.50126	0.2
63.32467	0.2
68.62388	0.2
69.03424	4.1
70.73326	0.7
71.01322	0.2
71.04990	0.4
73.02887	0.2
81.03411	3.6
83.01323	0.2
85.02894	4.1
87.00826	2.8
87.04421	0.3
91.77518	0.2
92.21545	0.2
93.03377	0.3
95.04980	0.3
97.02882	7.1
99.04446	1.8
101.02370	0.3
105.01890	1.2
107.04904	0.2
109.02872	1.3
113.04507	0.2
121.02811	1.0
123.04424	1.6
124.01573	0.7
125.02337	0.8
127.03908	4.2
135.04439	0.2
137.02321	3.0
145.04939	1.2
149.02298	0.6
151.03920	1.0
155.04930	0.3
163.03860	0.3
167.03383	4.3
179.03360	1.6
180.04216	0.3
183.04396	0.4
191.03320	0.2
197.04413	0.8
198.87901	0.2
200.04625	0.4
215.06990	1.7
219.02802	0.3
228.04131	0.6
231.05003	0.8
243.06511	4.2
256.03586	0.4
257.04605	0.3
259.06390	0.2
261.07581	0.8
271.06027	1.8
273.03922	0.4
274.04681	4.0
288.06250	0.7
299.05392	0.9
302.01010	0.2
302.04196	2.9
317.06525	100.0
318.06876	1.6
552.49292	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1183
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03937	1.2
53.08094	0.4
53.52219	0.4
55.01858	1.2
57.03428	1.1
61.02929	0.8
66.47887	0.4
68.99778	0.6
69.03425	5.0
71.04951	0.9
73.02894	0.8
81.03416	6.0
85.02903	7.2
87.00832	4.3
92.95168	0.4
95.04976	0.5
97.02914	2.1
99.04443	1.9
105.01839	1.9
107.05007	0.6
109.02884	4.6
117.01895	0.5
123.04425	1.5
125.02375	0.5
127.03915	6.7
137.02361	2.3
138.84628	0.5
145.04965	1.8
149.02440	0.4
151.03955	1.0
159.02890	2.6
162.60713	0.5
163.03922	0.4
167.03389	3.1
176.68040	0.4
179.03392	1.6
187.07549	0.5
197.04454	0.6
213.03917	0.4
215.07024	1.2
215.68825	0.4
218.46031	0.4
228.04077	0.5
231.04910	0.8
243.06509	3.2
261.07419	0.5
271.06003	1.7
273.04034	1.1
274.04764	2.4
288.06201	0.9
299.05612	0.9
302.04135	1.9
317.06546	100.0
318.06885	1.3
347.42047	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1182
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
51.81958	0.2
53.03708	0.2
53.03942	1.8
55.01868	1.5
55.05499	0.5
57.03429	1.1
60.14420	0.2
61.02918	1.1
68.99771	1.1
69.03075	0.4
69.03423	6.1
69.07040	0.3
69.66335	1.7
70.06578	0.9
71.04978	1.0
72.08141	0.4
73.02916	1.5
81.03414	8.0
84.08123	0.4
85.02895	11.1
86.09683	0.3
87.00822	5.0
87.04440	0.7
89.06002	0.3
91.03920	0.6
92.02615	0.8
93.03378	0.8
97.02890	3.9
97.06495	0.4
97.28508	0.2
99.04443	2.5
100.07622	0.3
100.11237	0.3
105.01849	2.9
107.04937	0.7
109.02872	7.0
111.00768	0.2
117.01848	1.0
121.02859	0.8
126.03131	0.3
127.03904	8.4
129.01805	0.7
139.03876	0.6
145.04944	3.0
147.02872	0.8
151.03889	0.8
153.01823	5.7
159.02881	4.2
163.97256	0.2
165.01825	0.6
167.84506	0.2
173.02414	0.2
201.05429	0.8
203.03372	0.4
217.04924	0.7
218.05743	0.5
225.08882	0.2
228.04141	0.8
229.04971	2.8
231.02985	0.4
231.04997	1.3
245.04472	1.2
246.05232	2.0
256.03741	0.3
257.04422	2.1
273.03845	1.5
274.04672	3.6
284.03174	0.5
285.03912	4.3
302.00717	0.5
302.04196	10.7
317.06531	100.0
318.06882	0.8
355.15454	0.3
359.07712	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.9
55.01859	3.6
55.05510	15.2
57.03432	19.8
57.07066	3.4
61.02913	6.3
67.05168	4.1
67.05499	55.6
69.03403	9.0
69.07059	23.2
70.06590	5.3
71.04967	5.2
71.20936	3.9
71.21278	5.0
73.02908	3.2
79.05481	44.7
81.03400	16.9
81.07048	69.0
83.04964	15.0
83.08598	13.4
83.22488	2.7
84.08141	3.7
85.02896	10.5
85.06492	3.6
89.06001	3.0
91.05470	31.7
93.07032	58.9
95.04951	10.1
95.08600	22.8
97.02873	5.4
97.06525	15.3
97.10159	4.5
99.04446	2.8
99.08035	3.6
105.07025	26.2
107.04951	11.2
107.08563	25.5
109.02872	4.8
109.06491	6.4
109.10163	13.2
110.81311	2.6
111.08070	5.9
117.07003	20.6
118.84280	2.6
119.08583	15.4
121.06474	7.1
121.10123	15.7
123.08041	5.7
123.11716	3.8
125.09629	4.1
127.03877	3.0
129.06931	4.7
131.08566	19.6
133.10104	17.2
135.08025	6.7
135.11662	23.0
137.09637	3.6
145.10158	14.3
147.11650	8.7
149.09587	8.0
149.13246	20.3
151.11179	5.1
159.11687	26.0
161.13242	5.6
163.11171	8.1
165.12660	3.6
171.11690	3.5
173.11720	2.8
173.13222	5.4
175.11183	3.6
177.12735	25.4
179.14293	10.4
181.12193	3.5
195.13765	7.3
200.15662	2.8
213.14757	3.8
227.12666	3.7
229.14175	3.8
229.19504	3.2
239.17961	4.5
255.09782	2.9
255.15884	40.6
257.18918	6.8
260.48029	3.4
269.17447	100.0
275.19952	26.4
317.06497	12.1
349.23703	38.6
367.24771	10.4
399.54764	2.8
498.12967	2.9
516.64661	3.6
586.04773	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	564.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.5
53.70775	4.0
55.01868	5.1
55.05510	33.8
56.96559	4.2
57.03441	28.0
61.02925	12.5
67.05502	64.5
69.03426	19.0
69.07072	21.7
69.92255	16.5
70.06582	11.5
71.04965	9.3
73.02942	7.8
79.05494	67.0
81.03425	26.1
81.07059	81.1
83.04989	12.3
83.08609	23.5
85.02896	18.3
85.06540	4.9
86.09701	7.1
91.03928	5.8
91.05485	49.0
92.90820	4.0
93.07047	59.6
95.04983	18.4
95.08608	37.5
97.02891	12.8
97.06516	19.2
97.10165	23.0
98.20704	4.3
99.08102	4.4
100.58474	3.8
103.03992	3.7
103.05494	4.9
105.04512	3.5
105.07038	53.3
107.04948	33.8
107.08589	59.1
109.02884	5.1
109.06525	13.3
109.10158	21.6
109.84814	3.2
111.08065	6.0
117.06982	17.0
119.00765	3.3
119.08582	40.0
121.06496	7.4
121.10145	22.0
123.06937	3.7
123.08035	8.8
123.11716	7.5
125.09653	13.3
127.03906	8.3
129.07051	9.3
131.08569	28.4
133.10147	34.0
135.08066	8.0
135.11745	22.4
137.09644	6.1
143.08615	6.6
145.10121	33.9
147.11681	15.8
149.09615	15.1
149.13287	12.4
157.10132	9.8
159.11674	26.5
161.09637	4.0
161.13263	5.4
163.11217	10.4
171.11771	7.5
173.13327	11.1
173.51030	3.2
175.11203	4.7
177.12750	9.8
183.11662	5.1
184.07384	7.2
185.13173	3.7
189.11171	6.3
195.13753	4.7
199.14780	4.7
227.12729	19.1
229.14409	6.1
229.19600	3.6
239.18025	7.5
245.13866	8.4
247.20569	5.2
255.15918	54.6
257.19022	26.9
267.15680	3.6
269.17502	57.0
275.20068	57.6
293.21091	4.5
317.06552	61.3
326.08209	3.8
329.23080	4.0
349.23724	100.0
367.24789	22.6
511.28833	6.2
564.35095	12.8
565.26471	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	564.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.6
55.01869	6.6
55.05504	26.1
57.03433	20.8
59.66305	2.7
61.02929	5.2
67.05498	63.4
69.03425	13.9
69.07060	39.0
69.41793	5.3
69.42193	27.2
71.04985	6.0
73.02886	4.0
79.05484	48.3
81.03397	19.6
81.07052	79.1
83.04974	14.9
83.08631	16.5
84.55171	3.3
85.02905	13.3
85.06519	4.4
85.32523	3.1
89.06042	4.3
91.05468	43.1
93.07033	67.7
95.04961	12.5
95.08606	38.2
97.02905	9.2
97.06530	16.2
97.10176	5.4
98.20811	8.6
99.08115	4.0
105.07030	35.7
106.26721	3.5
107.04950	13.3
107.08580	43.6
109.06517	10.2
109.10164	11.6
111.08121	5.6
117.06983	18.2
119.08574	27.9
121.06508	9.6
121.10140	24.0
123.08070	6.0
123.11694	6.4
127.03913	4.3
130.81219	4.0
131.08589	16.1
133.10147	22.8
135.08029	5.0
135.11687	27.2
137.09624	4.1
143.08560	4.0
145.10117	16.5
147.04413	4.1
147.11720	9.5
149.09660	13.2
149.13216	18.4
159.11649	29.0
161.13194	6.7
163.11156	12.4
169.10098	4.0
171.11577	6.1
173.13229	6.0
177.12712	23.1
179.14287	13.5
181.12177	5.6
186.97571	3.7
193.12291	3.9
195.13860	13.2
227.12766	6.6
229.14381	3.8
239.18044	3.4
247.20593	5.8
251.16679	3.9
255.15919	53.3
257.19067	14.0
259.26883	3.9
269.17456	100.0
275.20041	39.4
285.61017	3.7
317.06479	8.2
340.97659	3.6
349.23724	69.8
349.27994	4.4
367.24677	16.8
394.24847	3.9
413.21555	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	564.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	11.1
55.05505	22.3
57.03434	15.5
61.02926	5.9
67.05499	60.6
69.03423	9.9
69.07066	29.0
70.60641	7.0
73.77441	3.6
79.05491	49.1
81.03416	16.7
81.07055	78.4
83.04967	10.9
83.08602	14.5
85.02903	6.0
91.05480	32.0
93.07035	55.8
95.04962	12.8
95.08613	31.8
97.06541	14.0
97.10162	10.7
99.08078	6.1
99.61815	3.6
104.38364	4.1
105.07026	28.4
107.04952	13.5
107.08578	26.8
109.06506	6.3
109.10146	8.1
111.08085	10.3
117.07018	13.5
119.08556	27.2
121.06535	5.0
121.10136	16.0
123.08065	4.3
125.09607	8.5
129.07100	4.1
131.08551	17.6
133.10150	20.4
135.08005	7.2
135.11707	18.6
145.10094	12.8
147.11673	11.1
149.09621	12.4
149.13258	20.4
157.10138	4.1
159.11716	26.8
161.13295	4.1
163.11157	12.5
171.11665	3.9
173.04391	4.0
173.13242	8.7
175.28841	3.5
177.12727	22.1
179.14346	6.7
189.11145	4.8
195.13792	6.2
227.12788	7.1
239.17957	11.1
255.15900	49.2
257.18994	11.2
269.17474	100.0
275.20050	31.1
349.23709	73.7
367.25021	21.2
443.70468	3.9
490.97205	5.2
495.74231	4.6
511.28876	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	564.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49654	0.6
56.05033	1.4
58.06601	0.8
60.08157	6.8
66.29285	0.6
67.05494	1.6
70.06605	3.1
71.07363	2.4
71.35575	0.6
71.59414	1.0
72.08128	0.8
84.08128	1.9
86.09709	34.3
86.10246	1.7
91.05447	1.4
94.38469	0.7
98.98469	3.3
104.10749	5.4
107.04955	4.3
108.05273	0.7
119.08584	0.8
120.08119	0.8
125.00010	18.7
129.10239	1.2
133.06493	0.7
157.06566	0.8
159.09177	1.7
161.06053	0.7
171.87102	0.6
173.86079	0.7
184.07344	100.0
304.58987	0.7
346.62393	0.7
514.29199	2.9
532.30200	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.6
56.05025	1.0
58.06587	0.5
60.08163	6.7
67.05474	0.6
70.06583	1.6
70.65942	1.2
71.07376	2.8
79.05487	0.7
81.07049	0.7
84.08140	0.9
86.09703	31.0
91.05466	1.2
92.02483	0.4
93.07034	0.8
96.08165	0.4
98.98470	3.0
104.10733	6.4
105.07020	1.0
107.04958	3.2
107.08585	0.4
110.07099	0.4
121.02851	0.4
125.00002	21.0
126.75198	0.5
133.06444	0.6
144.67535	0.4
145.06395	0.5
184.07336	100.0
185.07614	0.6
209.07457	0.5
254.12483	0.5
323.19037	0.5
349.23907	0.4
389.61267	0.4
452.27255	0.5
496.28033	0.5
514.29358	3.4
520.22705	0.4
532.30414	0.8
546.28265	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.3
51.57961	0.1
53.03943	0.9
55.01860	0.2
55.05502	0.4
57.07060	0.5
67.05482	0.7
69.07054	0.5
69.92475	0.8
71.08615	0.2
73.46655	0.1
77.03909	0.4
79.05489	2.0
80.19810	0.1
81.03409	0.3
81.07055	0.9
83.08604	0.2
85.00381	0.1
89.06017	0.3
91.05479	0.7
93.07034	0.7
95.04961	2.4
95.08585	0.7
97.06525	0.2
97.10146	0.2
98.20693	0.1
105.04489	0.3
105.07026	0.2
107.04943	100.0
107.08586	0.7
108.05273	0.5
109.06509	0.2
119.04900	0.1
119.08614	0.4
119.28503	0.2
121.10093	0.2
123.08043	0.4
133.10133	0.3
135.11705	0.2
145.10051	0.2
146.21188	0.1
149.04059	0.2
149.13274	0.2
159.11693	0.3
165.12732	0.2
166.54575	0.2
166.96773	0.1
177.12721	1.1
177.87067	0.2
179.14375	0.2
213.09071	0.4
265.69876	0.1
281.21124	0.5
293.21021	0.2
309.34784	0.2
333.27771	0.4
349.27423	0.6
351.28860	2.2
413.91769	0.1
455.31482	0.7
457.33102	15.7
458.33340	0.6
545.38269	0.4
563.37451	1.2
585.44745	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.5
53.03748	0.1
53.03945	1.0
55.01867	0.2
55.05493	0.3
57.07072	0.2
67.05494	0.7
69.07062	0.5
69.20047	0.1
70.13895	0.6
71.04983	0.2
71.08630	0.2
77.03929	0.2
77.83427	0.1
79.05484	1.8
81.03426	0.2
81.07050	0.8
83.08608	0.4
89.06044	0.2
91.05468	0.4
93.07044	0.6
95.04961	2.6
95.08578	0.6
95.23419	0.1
97.06515	0.2
105.04507	0.4
105.07027	0.5
107.04945	100.0
108.05262	0.8
109.10150	0.4
119.08600	0.3
121.10111	0.3
123.08090	0.3
123.11665	0.2
133.06483	2.1
133.10075	0.3
135.11711	0.2
147.08028	1.8
149.13268	0.2
159.08076	0.2
161.09665	0.2
167.14279	0.9
173.09711	0.3
179.14294	0.8
187.11165	0.2
199.48448	0.1
208.26546	0.1
213.09091	0.2
255.17548	0.2
273.18460	2.2
333.27762	0.5
349.27448	0.6
351.28860	2.6
426.46017	0.1
455.31375	0.8
457.33099	16.1
458.33340	0.5
491.98465	0.1
563.36902	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.7
55.01864	5.3
55.05507	21.8
56.96558	2.4
57.03428	6.0
61.02927	3.9
67.05502	26.7
68.05819	2.4
69.03419	6.7
69.07061	26.2
69.39855	20.9
71.04977	4.6
79.05486	22.8
81.03417	14.7
81.07044	18.2
83.04948	4.5
83.08601	10.5
84.08178	2.1
85.02914	4.6
87.04464	2.7
89.68537	2.1
91.05482	17.3
93.07047	16.0
94.07381	2.1
95.04970	13.2
95.08595	10.1
97.02887	9.0
97.06493	3.2
97.10163	12.9
105.07024	10.1
107.04955	9.5
107.08591	12.0
109.06501	3.2
109.10150	8.7
109.62006	1.8
111.04411	2.4
111.08029	2.7
112.88814	1.9
117.07004	7.0
119.08567	12.8
121.06497	4.1
121.10105	7.2
123.08085	2.8
125.09621	12.2
129.07037	2.3
131.08565	7.7
133.06465	3.3
133.10127	5.7
135.08061	3.1
143.08531	2.8
145.10114	6.0
147.08057	5.0
147.11691	4.8
149.09703	2.8
157.10101	4.0
171.11633	2.7
175.11162	3.3
189.11160	4.0
193.12239	7.1
211.13225	5.1
223.13268	20.0
227.12808	6.4
249.14789	2.6
255.17537	2.5
267.15842	6.0
273.18509	10.4
285.16956	12.4
291.19504	91.2
347.22049	3.5
365.23196	100.0
477.28250	3.8
527.28857	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	562.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.4
53.78270	1.1
55.01870	4.4
55.05295	1.5
55.05513	14.4
57.03438	2.8
57.49250	1.2
61.02917	2.2
67.05502	17.9
69.03423	5.7
69.07062	17.2
71.04998	2.3
71.59914	2.8
79.05489	17.9
81.03410	5.4
81.07053	14.2
83.04971	2.7
83.08601	10.1
85.02905	3.5
91.05473	14.6
93.07037	12.8
95.04946	5.8
95.08589	7.3
97.02872	6.1
97.06510	1.9
97.10163	8.9
103.70859	1.2
105.07014	9.8
107.04966	5.4
107.08585	7.7
109.06533	2.4
109.10152	4.8
111.08073	2.2
117.07018	3.9
119.08564	9.3
121.06525	3.3
121.10129	4.8
123.08100	1.9
125.09629	5.7
127.03946	1.5
129.06969	4.2
131.08578	6.2
133.06448	3.0
133.10083	3.0
135.08058	2.6
135.11649	2.3
143.08522	3.1
145.10104	4.1
147.08044	4.8
147.11696	2.6
149.09589	2.2
153.09094	1.4
157.10127	1.6
159.11630	2.7
161.09647	2.1
169.10147	1.4
169.12386	1.5
171.10213	1.4
171.11630	1.9
175.11263	1.3
188.38496	1.2
189.11249	5.8
193.12309	4.0
205.12099	1.7
211.13364	1.7
223.13275	13.1
224.28442	1.3
227.12793	7.0
245.18907	1.9
249.14909	2.7
255.17262	1.5
267.15964	3.3
273.18454	11.1
285.17026	5.2
291.19522	100.0
360.37701	1.4
365.23206	81.6
390.29895	1.8
428.16037	1.4
462.52823	1.4
562.37451	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	562.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14090	2.6
51.27485	3.2
53.03931	4.6
55.01862	8.2
55.05508	22.6
56.96552	15.7
57.03422	11.8
57.07085	3.2
57.12107	3.4
65.03933	4.7
67.05497	33.8
69.03424	10.5
69.07057	32.9
70.06589	5.1
71.04980	5.7
71.59505	3.2
71.60012	4.9
73.02901	4.1
74.83240	2.5
74.97617	3.0
79.05482	25.8
81.03407	15.1
81.07046	30.5
83.04971	6.7
83.08612	13.3
84.08146	4.3
85.02896	11.8
91.03938	3.9
91.05468	26.3
93.07023	21.1
93.93455	2.6
95.04962	14.3
95.08622	17.1
97.02893	10.3
97.06477	3.7
97.10155	15.4
99.08104	3.3
105.06997	16.9
107.04943	17.2
107.08585	20.1
109.06487	5.5
109.10165	11.0
116.68576	3.0
117.07011	7.2
119.08598	13.7
121.06490	9.0
121.10143	9.3
123.08079	6.5
125.09624	8.6
129.06987	5.7
131.08572	10.5
133.06450	4.9
133.10106	10.5
135.08064	8.6
135.11705	3.9
143.08540	3.9
145.10124	6.8
147.08029	8.2
147.11670	4.5
154.10040	3.6
154.65147	2.9
159.11742	4.0
161.09561	3.6
163.11197	5.9
175.11229	4.0
189.11298	3.3
193.12190	6.4
211.13254	3.8
222.13058	3.2
223.13315	12.4
227.12819	10.2
229.07838	3.5
249.14890	6.3
268.95398	3.7
269.10614	7.1
273.18552	12.2
283.15540	4.6
285.17038	11.0
287.11646	5.1
291.19504	100.0
331.15619	10.1
332.16132	12.7
346.93610	2.9
349.16919	20.3
350.17178	38.5
365.23187	86.5
367.17923	5.3
562.19885	5.8
562.34650	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	562.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.7
55.05519	5.5
57.03424	4.1
57.07069	2.8
65.03902	1.3
66.56405	1.1
67.05511	9.9
69.03434	1.7
69.07068	10.5
70.06601	1.5
71.08622	1.1
71.58797	1.1
71.59187	1.2
79.05486	5.9
81.07060	12.2
82.96303	1.0
83.04964	2.0
83.08608	2.7
85.06536	2.5
86.09711	1.2
91.05462	3.5
93.07047	9.9
93.27109	1.0
95.04991	1.4
95.08611	8.2
97.06518	3.7
105.07024	5.0
105.74478	1.2
107.04941	1.9
107.08601	9.7
109.06512	5.6
109.10165	3.9
111.04440	3.3
111.08071	2.5
117.07006	1.2
117.87544	1.1
119.08566	3.7
121.10143	3.9
123.08079	6.7
123.11685	1.7
125.06009	4.3
130.79279	1.1
131.08592	1.5
133.10138	2.8
135.08051	5.4
135.11690	4.2
136.06209	2.5
137.05959	6.2
137.13248	1.3
143.08574	1.3
145.10086	1.5
147.11656	2.9
149.13347	1.1
151.07568	3.2
151.11223	2.2
165.09134	5.1
165.12758	3.3
177.12686	2.5
179.14238	1.6
181.12219	2.5
184.07359	1.9
193.12149	1.6
195.13907	1.5
195.48134	1.1
208.14655	1.5
208.17000	4.5
211.24731	1.1
221.15401	2.3
221.18907	1.5
235.20563	1.7
249.18480	1.3
257.17416	3.8
305.24722	26.6
319.26303	8.7
347.25809	66.0
348.26395	1.4
365.26831	20.5
390.30106	4.5
393.30182	2.1
421.29498	100.0
422.29630	3.1
439.30624	10.5
501.26031	2.7
519.27063	7.4
562.31525	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	561.4877
Annotation	2-methylbacteriohopane-32,33,34,35-tetrol
Peak:m/z	Relative Intensity
53.03936	2.0
55.01873	1.5
55.05511	16.3
57.03423	0.8
57.07076	10.5
65.03918	1.1
67.05505	48.2
69.03421	1.3
69.07067	19.8
69.96101	2.0
69.96521	1.4
71.04975	1.9
71.08627	5.2
77.51746	0.6
79.05494	14.1
79.05955	0.7
81.03417	0.9
81.07057	51.8
83.04971	2.2
83.08616	14.9
83.09110	0.8
85.02898	1.0
85.06523	2.2
85.10178	2.4
89.69880	0.6
91.05479	10.4
91.37066	0.7
93.06474	1.4
93.07040	21.8
95.04951	2.3
95.08607	41.1
97.06535	3.6
97.10162	9.3
99.08080	1.3
101.06023	0.6
105.07026	11.8
107.08591	13.8
109.06545	1.3
109.10151	16.0
111.08070	1.9
111.11707	3.0
111.69660	0.5
113.09637	0.7
117.06982	3.8
119.08588	10.2
121.06522	1.1
121.10135	11.9
123.08072	1.8
123.11704	5.2
125.09612	1.2
127.07507	0.8
129.07008	1.9
131.08583	8.2
133.10121	6.7
135.08064	1.9
135.11693	7.5
135.88297	0.7
137.09669	0.8
137.13248	2.3
139.11156	0.6
143.08534	2.3
145.10124	6.4
147.11696	4.7
149.09598	3.1
149.13268	4.7
151.14777	1.6
153.09181	0.7
157.10120	2.1
159.11714	5.3
161.09642	1.4
161.13255	2.6
163.11185	2.6
163.14848	1.6
165.16422	1.8
167.10701	0.7
171.11714	2.6
173.13268	2.9
175.11160	1.3
175.14897	1.1
177.12810	1.5
177.16530	0.7
179.17941	1.0
181.12323	1.5
185.13316	2.4
187.14896	1.5
189.12749	1.1
189.16423	0.7
191.18002	0.9
193.19563	0.9
195.13821	1.6
205.15796	0.8
205.19481	1.1
209.15315	1.1
213.16377	0.7
227.18103	0.9
263.27393	0.8
273.18503	1.0
279.23230	1.2
287.20184	1.8
289.25452	0.9
291.30502	0.8
293.24893	3.6
301.21661	1.4
305.24719	1.1
307.26309	5.4
319.26324	1.1
321.27908	3.4
381.35181	2.3
391.36011	1.2
399.32288	1.0
405.37186	1.7
413.34125	1.7
419.38733	3.8
421.33066	1.5
431.38974	5.6
433.40421	4.4
435.34769	3.9
445.40491	1.9
447.42181	0.9
449.36404	5.1
459.42172	0.8
463.37964	1.3
507.44879	0.8
525.46692	5.1
543.47656	8.2
561.48767	100.0
562.40338	0.7
562.49146	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	561.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	2.4
53.03944	7.1
54.27947	1.2
55.01879	3.0
55.05509	26.3
57.03434	3.5
57.07069	4.1
59.04985	2.1
63.20544	1.3
65.03934	5.2
67.05501	91.9
67.84647	1.4
69.03419	4.3
69.07065	19.7
69.35293	14.8
71.04991	53.0
71.08624	2.5
77.03946	1.6
79.05489	73.6
81.03430	2.3
81.07053	100.0
83.04983	11.9
83.08617	14.4
84.36942	1.5
84.50259	1.6
85.06554	5.1
91.04902	2.4
91.05478	67.3
93.07039	71.4
95.04972	15.0
95.08602	37.2
97.06509	9.0
97.10188	5.8
98.21446	3.2
99.08089	3.9
103.05537	1.7
105.04510	2.0
105.07026	39.1
106.61752	1.6
107.04951	3.7
107.08589	33.3
107.09277	2.0
109.06534	2.9
109.10156	18.2
111.04414	1.5
111.08089	4.0
117.07016	11.7
118.89037	1.6
119.08580	15.7
121.10146	25.2
123.08123	3.0
123.11694	17.7
129.06982	2.5
131.08556	17.7
133.10127	36.5
135.11713	15.0
138.59457	1.5
143.08589	2.0
145.10149	9.7
147.11603	7.2
149.09659	2.5
149.13251	13.5
151.11142	13.7
157.10158	2.0
159.11681	13.9
161.12151	1.4
161.13208	8.3
173.13373	3.8
177.12831	4.4
181.15192	1.6
183.13780	14.4
187.13399	3.6
195.13916	5.3
209.15430	1.7
227.16362	1.6
231.01563	1.5
257.17627	2.4
261.22217	5.5
269.17593	1.8
283.19125	2.9
285.17157	3.3
293.21249	3.0
309.79633	1.5
335.21823	1.4
335.25836	3.4
352.37881	1.5
358.47253	1.6
361.27728	3.1
363.25485	4.7
513.21051	1.6
517.38910	27.2
517.45850	2.5
529.38947	12.4
543.37622	3.2
561.41608	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.9
55.01870	11.9
55.05260	2.9
55.05509	42.9
56.96555	6.1
57.03426	7.8
57.07065	5.6
59.04978	3.5
65.03927	2.6
67.05502	75.3
69.03415	5.2
69.07059	28.0
71.04981	7.3
71.59954	3.8
78.73849	2.4
79.05052	4.5
79.05484	59.9
81.03419	11.2
81.07050	72.9
83.04970	8.4
83.08611	21.5
85.02882	3.3
85.06552	4.9
85.57975	2.2
91.05470	55.6
93.07038	57.0
95.04981	15.4
95.08600	49.6
97.06516	9.0
97.10154	18.4
99.06149	2.5
103.05413	2.6
105.07021	53.7
106.07373	3.1
107.04914	12.2
107.08584	37.9
109.06515	8.6
109.10139	25.7
111.08063	5.8
115.05431	4.6
117.07016	23.6
119.08573	40.9
121.06489	8.3
121.10123	20.1
123.08061	10.4
123.11695	6.8
125.09628	19.3
127.03886	2.5
128.06189	3.6
129.06999	17.9
131.08565	38.2
132.72713	2.4
133.06500	3.7
133.10114	34.6
135.08058	8.5
135.11687	12.5
137.09583	7.5
139.11186	5.7
141.07016	2.9
142.07803	5.0
143.08516	17.5
144.09071	2.5
145.06451	3.4
145.10117	29.9
147.08057	5.6
147.11700	18.5
149.09604	8.8
149.13286	5.4
151.11197	3.4
155.08553	9.5
157.10101	19.8
159.08080	2.8
159.11685	25.3
161.09636	5.0
161.13248	8.9
163.11195	5.2
167.08591	3.9
169.10088	9.1
171.08110	3.0
171.11641	15.2
172.43385	2.4
173.11835	4.6
173.13167	13.0
175.11159	4.5
175.14816	6.1
177.12740	3.9
181.10184	5.7
183.11658	11.3
185.09584	2.8
185.13248	10.2
187.11189	4.8
187.14799	6.0
189.11217	11.8
189.12697	3.0
193.12320	2.8
195.11694	8.3
197.13335	5.8
199.11177	4.3
199.14874	3.7
201.16219	2.9
209.13206	7.2
209.15182	2.5
215.14374	2.7
217.07510	3.5
217.15800	2.9
223.14862	4.4
227.12732	7.2
247.08612	2.6
253.14285	2.5
259.20618	5.2
267.09137	6.4
267.15689	2.3
269.10565	8.6
269.17413	3.9
271.20532	2.9
273.10120	2.5
275.19977	5.9
285.10141	5.4
285.22131	10.6
287.19949	4.2
287.23395	2.8
291.19531	4.9
297.18509	3.4
297.22119	2.5
299.23691	8.7
301.21518	3.3
303.23038	7.6
349.16968	6.9
349.23660	5.0
367.17880	18.7
399.13037	2.3
415.30167	3.3
423.32977	3.2
433.30743	13.6
451.32031	19.1
469.33185	26.5
487.34161	9.8
490.81812	2.5
525.35767	32.1
543.36713	100.0
561.29767	3.2
561.37817	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	561.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.2
55.01852	4.8
55.05508	20.5
57.03424	7.5
57.07047	4.9
57.23454	2.4
67.05497	58.2
69.03394	2.8
69.07062	14.5
71.04977	5.9
71.35049	4.4
79.05054	4.4
79.05486	57.5
81.03406	3.9
81.07046	70.0
83.04974	6.6
83.08607	11.4
85.06536	5.2
87.04436	2.8
89.06033	5.6
91.05478	28.2
93.07037	72.4
93.50460	2.1
95.04969	12.8
95.08597	68.1
97.02865	3.7
97.06493	7.1
97.10162	4.0
99.04468	4.5
103.05447	2.8
105.07027	39.7
106.07359	3.3
107.04932	9.3
107.08589	52.6
109.06510	4.8
109.10146	22.7
111.08070	3.4
117.07024	14.5
119.08559	25.0
121.06479	6.6
121.10126	29.5
123.11674	8.1
125.05974	2.6
129.06969	3.0
130.07755	2.5
131.08549	12.9
133.10117	15.1
135.11688	50.2
143.08580	5.6
145.10126	34.7
147.11658	7.0
149.13226	8.6
151.11148	3.6
159.11641	7.3
161.13275	6.0
163.11165	47.3
173.13240	4.2
175.14893	2.7
181.12195	10.1
187.14816	3.1
202.45567	2.4
227.12744	100.0
243.21057	8.4
259.20490	3.0
261.22131	28.7
268.63300	2.2
275.20078	3.6
283.15359	33.1
317.24704	10.7
335.25790	64.3
421.60657	2.8
529.39270	2.4
543.36810	41.5
561.38568	15.3
561.48480	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.1
53.75362	2.5
55.01857	8.9
55.05504	27.7
57.03425	10.2
57.07072	13.4
65.03925	3.8
67.05500	91.0
69.03418	4.0
69.07055	25.3
70.19238	11.2
71.04989	4.5
71.08606	3.0
73.02895	4.0
79.05489	73.2
81.03410	7.7
81.06568	6.0
81.07048	100.0
83.04971	11.1
83.08607	18.8
85.02917	3.1
85.06536	2.8
87.04428	2.9
89.06015	9.8
91.05467	59.7
93.07038	78.4
95.04980	18.5
95.08601	78.1
95.71201	2.4
97.02860	4.1
97.06526	11.0
97.10166	10.2
99.08125	2.6
105.07031	41.6
107.04941	11.2
107.08584	51.6
109.06510	6.3
109.10139	30.3
111.04458	3.4
113.05971	2.7
115.05450	2.7
117.07006	24.4
117.41926	2.5
119.08578	30.7
121.06494	10.0
121.10143	34.9
123.08073	5.7
123.11688	12.5
125.09580	5.9
129.06989	8.8
130.07765	3.3
131.08565	31.6
133.06473	4.1
133.10112	26.8
135.08043	5.9
135.11682	50.3
137.09613	4.6
139.07469	3.3
139.11174	3.5
141.07056	2.6
143.08537	4.9
145.10120	44.9
147.08116	3.3
147.11642	8.0
149.09598	8.7
149.13226	11.4
153.12741	3.3
155.08498	3.6
157.10152	4.6
159.08099	2.8
159.11685	10.4
161.13306	7.6
163.11166	46.2
163.14787	7.7
171.11688	6.2
173.09654	6.8
173.13269	11.3
175.14896	3.7
177.12631	3.9
181.12256	11.4
187.14809	6.3
191.10666	6.0
193.12161	3.5
195.11909	2.8
199.14731	3.7
209.11720	7.8
227.12767	80.5
230.46080	2.8
235.16904	3.9
243.21045	6.1
261.22086	25.2
269.17657	3.6
275.20084	4.9
277.21671	3.6
279.23315	3.8
283.15366	32.6
293.21198	4.0
301.21545	3.0
303.22858	3.4
315.23080	5.6
317.24506	12.3
333.24170	3.1
335.25797	53.7
335.29749	3.2
451.32147	5.9
453.69968	2.8
469.32996	6.9
493.57590	3.0
499.34183	3.0
517.86981	2.9
525.35699	5.8
543.36688	58.8
561.26080	35.9
561.37878	39.5
561.48590	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01863	2.1
55.05510	10.4
57.03428	4.0
57.07065	4.0
67.05502	30.6
69.07066	10.5
70.73000	0.9
71.04981	3.5
71.08604	1.5
72.08137	1.6
73.02922	1.2
73.06560	1.1
73.81352	0.9
79.05490	26.1
81.03402	1.4
81.07050	31.3
83.04977	2.7
83.08617	5.4
85.06503	1.1
87.04458	3.2
89.06041	7.1
91.05473	12.7
93.07040	30.0
95.04968	7.9
95.08598	27.6
97.06514	3.0
97.10159	2.9
99.04456	1.7
99.08116	1.2
103.03931	1.4
103.05468	4.5
105.07024	100.0
106.07376	4.7
107.04955	4.3
107.08589	19.9
109.06534	1.4
109.10124	7.8
111.04428	1.2
111.08110	1.2
116.96340	1.4
117.06985	6.3
119.08571	10.2
121.06462	2.6
121.10126	12.9
123.08079	1.2
123.11700	3.7
125.05971	1.2
125.09697	1.2
129.06995	2.2
131.08565	6.9
133.08604	1.9
133.10155	5.8
135.08023	1.7
135.11673	20.2
143.08650	1.8
145.10106	13.0
147.08084	1.1
147.11620	4.6
149.13246	3.8
159.11710	3.7
161.13226	2.7
163.11183	20.1
163.14790	2.0
173.13281	2.3
177.11275	1.4
180.91809	0.9
181.12263	4.1
187.14854	1.4
205.01529	2.1
227.12767	33.7
230.32469	1.0
243.21025	3.2
249.04425	1.0
251.14372	1.6
261.22144	10.8
283.15378	13.5
317.24762	5.1
335.25803	26.6
385.05750	1.0
469.32870	1.2
529.38477	1.4
543.36841	17.2
561.28888	1.1
561.38440	7.2
561.48248	1.0
581.56091	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	14.1
55.01874	22.6
55.05507	24.3
57.03441	20.3
61.02920	10.3
65.03925	8.1
67.05504	97.5
69.03428	44.7
69.07082	21.5
70.65259	6.7
70.65628	7.1
71.04996	8.5
73.02920	55.0
75.04459	4.5
79.05495	57.4
81.03417	34.9
81.07056	100.0
83.04985	15.3
83.08618	13.1
85.02907	34.7
85.06542	4.8
91.05482	31.1
93.07044	62.1
95.04968	7.8
95.08602	90.1
97.02888	16.6
97.06542	7.7
97.10153	6.4
98.98456	25.0
99.04456	21.9
105.07043	23.9
107.08611	36.5
109.02879	60.1
109.06548	4.6
109.10157	43.7
110.03651	8.2
111.04460	54.9
111.11777	3.5
117.07063	8.7
119.08594	25.7
121.10146	34.3
123.11706	23.2
127.03917	40.1
131.08577	20.2
132.99568	21.3
133.10123	24.5
135.11755	23.2
137.09651	4.2
137.13254	5.7
145.10149	14.7
147.11690	11.9
149.13251	21.8
151.00606	8.5
155.01044	24.7
159.11673	8.9
161.13245	13.9
163.11168	3.5
163.14838	8.3
172.99033	7.2
173.13284	10.5
175.14861	3.6
187.14790	4.3
191.00146	22.8
209.01186	9.0
215.28406	3.3
243.21144	11.9
261.22159	40.1
317.24637	4.9
335.25793	36.7
337.27423	23.9
451.90924	3.4
469.14255	5.2
561.27100	54.4
561.34930	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	560.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.05506	2.4
57.03443	2.1
62.54737	0.8
67.05502	3.9
69.07063	2.2
70.06595	2.5
71.58943	1.3
71.59371	1.4
72.08175	1.1
73.26623	0.8
79.05502	6.4
81.07056	5.3
83.08640	1.0
84.08143	1.4
85.06540	1.5
86.09692	1.8
91.05482	9.2
93.07047	10.2
95.04972	2.9
95.08601	2.7
105.07024	9.1
107.04960	25.7
107.08606	4.6
108.05297	3.5
109.10136	1.3
109.74564	0.9
117.07029	2.1
119.08589	4.2
121.02860	2.7
121.06529	1.3
121.10191	1.5
128.06296	1.3
129.06996	2.9
131.04947	2.7
133.06508	6.3
133.10138	3.8
136.06189	100.0
145.06488	4.0
145.10115	1.9
146.06886	1.3
147.07970	1.2
147.11684	2.1
157.06473	5.7
159.08061	1.0
159.11676	1.7
161.13228	1.4
169.06493	1.5
171.04446	1.1
184.07381	1.7
185.13225	3.6
186.07826	1.2
187.07581	1.1
198.64211	0.9
203.14343	2.5
221.15353	5.6
231.08266	0.9
239.17877	1.3
245.09528	1.2
248.16028	0.9
249.09088	1.1
250.09703	1.4
251.10672	1.4
257.18991	2.5
261.09085	1.5
263.10480	1.3
268.10406	24.1
275.10776	1.0
275.20032	9.3
290.16141	1.9
338.38974	0.9
368.13678	1.2
410.25500	7.2
428.26608	2.5
542.20862	1.5
542.29431	2.4
560.22083	1.6
560.30621	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	559.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30452	3.3
53.03931	8.3
55.01852	4.4
55.05499	32.1
57.03426	9.2
65.03933	3.5
67.05500	100.0
69.07072	21.4
69.51102	31.2
79.05050	6.2
79.05487	86.3
81.03410	9.6
81.07051	81.1
81.33337	3.3
83.04976	11.6
83.08591	9.9
85.06564	3.2
85.17458	3.1
91.05477	66.1
93.07035	95.5
95.04968	18.6
95.08593	53.1
97.06512	6.1
97.10134	8.5
105.07024	49.6
107.04925	9.8
107.08588	29.7
109.06486	4.3
109.10155	19.3
114.30721	3.5
117.06986	15.8
119.08560	29.3
121.06533	4.4
121.10126	22.5
123.08029	8.4
123.11681	5.9
128.06253	4.5
129.07024	17.4
131.08565	24.0
133.10092	19.4
135.11693	14.9
143.08559	12.6
145.10098	20.9
147.08105	3.4
147.11671	34.4
149.13226	5.1
157.10118	4.1
159.11662	8.9
161.09698	4.4
161.13228	15.6
171.11665	23.5
173.13202	7.4
185.13278	5.7
187.14836	4.8
189.12767	5.3
197.13235	4.5
207.13727	21.2
213.75250	3.6
261.22171	16.1
275.88385	3.9
279.15924	4.2
281.17502	36.9
317.24753	4.7
335.25763	23.8
342.08044	4.0
523.38379	4.2
541.38940	81.9
559.40332	17.6
565.82660	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	560.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.8
56.06753	0.3
57.03172	0.2
57.03424	1.8
60.78285	0.3
61.02924	1.7
67.05479	1.1
68.05012	0.4
69.03429	4.3
69.51404	2.4
70.06588	2.6
71.01341	0.5
71.04967	0.5
72.08116	0.5
73.02889	1.2
76.02204	0.5
78.57985	0.3
81.03415	1.7
83.06094	0.3
84.04501	0.5
84.08121	0.4
85.02435	0.5
85.02905	6.8
86.09692	1.5
87.04437	1.1
91.03918	0.6
97.02876	2.9
98.05997	0.3
99.04436	0.5
107.04968	2.4
109.02852	0.9
109.05132	0.3
110.07143	0.6
119.88747	0.3
120.08086	0.6
126.45159	0.3
127.03955	1.9
134.04610	5.8
135.03001	0.6
145.04922	0.4
148.08640	0.5
149.99973	0.4
152.05756	1.4
156.05492	0.4
158.07133	0.4
165.02312	5.1
167.02606	1.1
167.03847	0.4
175.09778	0.7
175.91092	0.3
181.05424	1.3
182.04951	100.0
183.05193	0.6
183.06703	0.3
184.07468	0.4
185.08249	0.7
190.03020	0.7
194.04964	3.5
200.09297	1.4
201.10118	0.6
205.05414	3.4
206.07996	0.3
209.85608	0.3
216.04680	2.2
218.05072	0.3
219.07007	1.4
221.08575	0.6
224.06012	1.2
231.04654	0.6
231.06972	12.4
248.09641	26.6
249.10046	0.6
266.10684	62.6
267.10904	0.3
284.63321	0.3
303.05121	0.6
304.05313	0.3
314.09048	1.4
335.56909	0.3
344.10129	0.5
348.04965	0.3
380.13870	0.7
398.14908	9.6
428.15964	52.4
429.16492	0.8
482.16080	0.3
560.20190	30.0
561.20795	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85071	5.3
52.04321	5.6
53.03928	11.0
55.05506	34.7
57.03415	13.7
59.63081	6.2
66.34150	6.3
66.58288	5.3
66.98076	5.4
67.05502	100.0
69.07047	21.9
69.41510	52.4
79.05487	83.9
81.03387	6.0
81.07050	79.4
83.04949	11.7
83.08619	11.0
85.46049	6.0
91.05474	75.8
93.07034	80.3
95.04955	27.6
95.08602	58.8
97.06471	7.0
97.10119	7.0
105.07027	57.2
107.04928	8.3
107.08601	39.7
108.79062	7.1
109.06577	6.4
109.10132	22.6
117.07030	13.9
119.08558	27.7
121.10136	23.8
123.08070	6.3
123.11653	8.6
129.07002	14.7
131.08536	17.2
133.10146	18.7
135.11655	15.7
143.08600	16.7
145.10124	19.3
147.11662	37.5
149.13174	5.9
157.10063	6.3
159.11719	8.5
161.13208	12.8
171.11681	25.8
189.12778	10.3
196.66853	7.3
207.13791	24.8
237.06277	7.7
261.22101	7.2
281.17328	42.6
335.25793	49.7
337.79388	6.4
384.73328	6.6
401.00531	6.4
405.48743	7.7
477.71478	6.2
541.38934	62.7
559.39929	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	559.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	2.3
53.03929	4.2
55.01859	5.7
55.05505	18.0
55.06407	1.8
57.03425	10.8
57.07065	2.7
65.03922	2.1
67.05163	2.8
67.05503	41.7
69.06767	1.7
69.07064	17.8
71.04990	5.7
79.05488	49.5
81.03394	5.4
81.07050	45.5
83.04974	5.3
83.08623	10.2
91.05470	40.9
93.06465	3.8
93.07038	63.0
95.04958	16.4
95.08596	50.4
97.02898	2.0
97.06503	8.5
97.10148	3.0
98.21618	4.3
99.04412	4.0
103.05468	2.6
105.04535	2.3
105.07018	43.0
107.04948	12.2
107.08591	43.8
109.06520	5.2
109.10158	6.4
111.08075	2.9
111.50334	1.8
112.36780	1.9
113.05991	2.5
117.07015	18.6
119.08571	44.4
121.06490	7.4
121.10143	25.1
123.11672	2.5
125.05955	2.3
129.05498	2.5
129.06989	9.3
130.07742	3.3
131.08549	19.7
133.10112	31.7
135.08037	4.8
135.11674	54.1
139.07512	2.0
143.08597	8.8
145.06497	2.7
145.10107	42.6
147.11673	26.8
149.13249	6.2
153.12740	2.1
157.10107	7.8
159.11668	12.2
161.13243	27.6
163.11166	52.1
163.14774	3.7
171.11653	10.0
173.13222	9.0
175.14825	11.2
177.12627	3.2
181.12202	9.8
185.13251	7.6
187.14793	4.1
199.14761	5.5
207.99358	1.8
213.36731	1.6
215.17899	3.4
227.12759	100.0
228.68698	2.0
229.94539	2.6
231.21059	6.8
241.19499	35.5
259.20541	59.8
260.20828	2.1
267.15915	3.5
273.18423	4.3
275.19962	6.8
283.15363	43.0
291.19519	4.6
293.08133	1.9
315.23135	6.6
333.24216	60.3
349.23416	1.9
351.25143	2.2
408.17169	2.0
410.12628	1.7
467.12747	2.1
467.31256	2.3
496.34869	1.7
541.35034	23.0
547.60602	2.2
559.36896	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	559.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.9
55.01854	9.4
55.05264	2.0
55.05506	25.9
57.03436	13.7
57.07049	5.1
63.16489	2.1
65.03934	5.2
67.05495	61.7
67.44024	2.1
69.03423	3.0
69.07060	22.3
70.04544	7.5
70.04954	4.6
71.04984	6.8
72.40219	2.0
75.38206	2.0
77.03914	2.2
79.05481	69.7
81.03422	15.7
81.07043	68.0
83.04963	4.4
83.08593	16.5
85.02880	2.8
85.06532	3.6
91.04903	3.8
91.05465	59.6
93.07031	77.2
95.04954	22.0
95.08598	61.5
95.09186	2.0
97.02863	4.7
97.06502	17.1
97.10178	7.5
98.21445	3.2
99.04442	2.5
99.08072	3.4
103.83060	2.2
105.07016	59.9
107.04962	14.2
107.08584	52.8
107.63624	2.2
108.74303	2.1
109.06489	10.7
109.10128	16.9
111.04378	3.5
111.08080	4.3
115.05508	2.4
117.07011	28.9
119.08558	50.7
121.06482	12.1
121.10136	27.1
123.08047	4.8
123.11706	2.8
125.05984	4.5
125.09635	3.2
128.06163	2.6
129.06992	11.0
130.07770	4.0
131.08527	27.7
133.06480	2.9
133.10103	37.4
135.08026	6.2
135.11676	53.3
137.09601	2.9
139.07556	2.7
141.06978	2.4
143.08542	15.2
145.06442	3.0
145.10104	48.8
147.08058	4.0
147.11661	34.7
149.09590	5.7
149.13228	8.7
153.09111	2.4
155.08540	4.4
157.10114	13.6
159.11687	17.4
161.09618	3.0
161.13206	29.1
163.11154	62.5
163.14774	3.3
169.10152	3.9
171.11665	10.8
173.13255	8.6
175.11098	2.7
175.14819	13.7
181.12195	10.1
183.11705	3.1
185.13177	9.9
187.11139	3.1
187.14777	4.4
189.11263	3.5
189.12837	2.6
193.12134	2.3
199.14784	6.2
209.11633	2.7
213.16367	2.3
217.19466	3.0
227.10471	4.7
227.12743	100.0
231.20969	3.1
241.19510	34.7
257.19189	2.3
259.20547	67.9
267.15866	5.9
275.19827	10.3
277.21564	2.9
283.15335	45.5
285.22189	2.2
291.19327	3.3
313.21402	3.9
315.23044	10.2
317.21375	2.4
333.20340	3.9
333.24200	60.9
335.25977	2.1
349.23642	2.6
449.30243	2.8
467.31754	3.0
541.35248	31.7
542.35364	2.6
559.28412	3.1
559.36328	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.8
55.01873	5.6
55.05260	1.9
55.05508	29.2
57.03428	5.7
57.07093	2.7
65.03946	2.9
67.05500	57.3
69.03091	1.5
69.03413	8.3
69.07063	37.1
71.04987	4.6
71.08628	1.6
71.59482	1.3
71.59907	1.3
79.05488	43.4
81.03423	7.7
81.07052	56.4
83.04979	6.3
83.08614	18.0
85.06532	2.6
89.52532	1.3
91.04896	1.2
91.05473	32.2
93.07037	46.9
95.04958	16.1
95.08598	26.9
97.02880	7.6
97.06534	9.8
97.10153	11.9
99.08086	2.1
105.06371	1.9
105.07027	22.0
107.04944	6.9
107.08592	27.2
109.06503	4.9
109.10160	9.2
111.04426	2.1
111.08070	5.7
117.06986	12.2
119.04942	1.5
119.08559	14.2
121.06536	3.9
121.10130	13.2
123.08067	3.9
123.11697	3.0
125.09624	10.2
128.06168	1.4
129.07014	4.7
131.08557	13.8
133.06491	3.2
133.10123	12.8
135.08049	4.9
135.11673	8.9
137.05913	1.1
137.09657	3.2
139.11125	1.2
141.06967	1.5
143.08540	5.9
145.06497	1.9
145.10123	8.4
147.08043	5.4
147.11668	5.9
149.09601	3.8
149.13255	14.4
151.11166	1.5
157.10124	5.8
159.08098	1.5
159.11674	9.2
161.09637	3.2
161.13284	2.1
163.11220	4.2
164.67395	1.2
165.09052	1.4
169.10144	2.5
171.11667	2.5
173.13280	1.9
175.11258	2.5
177.12787	4.8
179.14325	1.5
181.10118	1.5
183.11778	1.7
185.13307	1.6
189.11229	5.6
189.12784	2.2
193.12270	1.5
195.13815	5.8
201.12892	1.2
203.14243	1.3
213.14677	1.8
223.13239	17.3
223.15108	1.4
227.12788	7.2
227.17828	1.7
233.56914	1.2
245.18997	2.7
249.14760	1.9
263.20013	1.5
267.15820	2.7
269.17471	1.7
273.18454	13.4
275.20081	4.8
277.21622	1.8
291.19522	100.0
293.21173	2.8
297.22095	1.4
299.20157	1.8
315.23230	3.5
347.22241	2.3
348.49561	1.2
391.05032	1.2
449.30536	2.6
467.31699	4.0
485.32892	2.7
523.34302	3.1
541.35028	12.9
558.88379	2.4
559.36273	92.6
560.36304	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	559.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	3.3
53.03925	10.7
55.01857	9.8
55.05508	57.3
57.03422	10.3
57.07062	13.9
59.04957	5.2
62.07858	3.4
65.03921	5.1
67.05168	5.8
67.05502	87.1
69.03421	4.4
69.07065	38.0
71.04978	5.4
71.08625	9.6
71.59152	4.7
79.05064	4.5
79.05493	77.1
81.03399	13.8
81.07056	93.3
83.04977	14.5
83.08610	23.2
85.06558	3.8
87.04462	5.6
89.06023	19.5
91.05478	61.3
93.07037	69.2
95.04956	25.3
95.08598	52.2
97.02889	6.6
97.06506	12.2
97.10159	24.3
103.05450	5.7
105.07018	61.0
107.04947	12.5
107.08589	49.7
109.02862	6.3
109.06497	14.8
109.10157	25.3
111.04361	3.3
111.08070	6.5
113.05967	6.0
115.05447	3.3
117.07001	26.0
119.08582	36.1
121.06496	12.9
121.10127	32.1
123.08084	4.1
123.11730	7.6
125.09587	17.1
128.06206	6.1
129.06967	16.0
131.08560	30.0
133.06473	7.0
133.08589	5.3
133.10121	44.1
135.08046	15.5
135.11697	20.5
137.09599	3.8
138.10835	3.3
143.08603	18.8
145.10101	28.8
147.08034	7.2
147.11641	14.9
149.09569	6.7
149.13271	15.7
151.11133	6.2
155.08545	7.0
157.10141	13.9
158.73781	3.6
159.11667	16.9
161.09596	13.8
161.13304	11.6
163.11140	8.8
167.08566	3.9
169.10126	6.6
171.11644	9.8
173.13205	10.7
177.12727	4.1
179.10667	5.1
181.10048	5.8
183.11668	6.6
185.13235	10.7
185.63158	4.2
187.14833	4.6
189.09143	6.1
189.11201	10.2
189.12767	3.3
195.11659	6.4
195.13759	6.2
197.13164	5.6
203.14343	3.3
211.14784	3.6
223.13222	6.1
225.11147	7.5
227.12854	16.3
241.19452	5.6
259.20563	15.6
261.22040	9.1
273.18491	13.7
281.13947	5.4
287.23328	4.9
291.19467	38.0
315.23129	15.2
333.24197	11.0
421.30923	6.6
431.28864	4.2
435.32318	3.7
439.31818	5.7
449.30493	15.1
467.31421	20.1
485.32498	19.1
500.80310	3.6
513.35535	14.1
515.37170	5.0
531.36584	14.3
541.35199	55.3
558.86316	5.9
559.36163	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	0.5
55.05471	0.4
56.05000	0.8
56.96563	7.4
57.03409	0.7
61.01143	0.4
67.05462	0.8
69.03400	0.7
70.04073	5.5
70.06580	2.4
71.95251	0.6
74.38908	0.4
76.00112	0.3
79.05477	0.8
81.03403	0.7
81.07016	1.0
82.73341	0.4
84.08098	1.4
84.96011	0.6
85.02853	1.5
86.09653	1.4
89.45255	0.4
91.05460	1.1
93.06989	0.6
95.04940	0.8
95.08568	0.8
97.02831	0.7
98.65599	0.4
99.08082	0.7
104.05291	0.5
105.01828	0.5
105.07009	0.6
107.04951	3.6
107.37518	0.4
109.02837	0.5
109.06502	0.6
110.97633	0.4
119.08565	1.0
120.08043	1.3
121.06470	1.1
121.10136	0.4
122.05984	0.4
122.06844	0.6
124.07590	1.0
127.03899	0.8
129.10217	0.8
139.00635	0.7
145.05032	0.5
152.07083	3.5
155.03824	0.5
157.01672	1.2
157.34109	0.4
159.03197	0.9
167.03751	0.7
169.01643	0.7
170.08090	1.1
171.03236	1.7
175.02716	0.8
183.03311	0.6
185.04800	4.0
187.02771	0.8
187.06270	0.4
189.04384	1.1
197.04802	0.5
199.06366	0.8
201.04225	0.5
203.05907	7.4
210.14796	0.5
211.06409	2.7
213.07832	0.9
215.05853	0.4
217.07538	0.8
218.29782	0.4
219.07013	0.4
221.06769	0.9
221.08653	0.8
223.06404	1.9
223.10002	0.5
224.10606	0.4
225.08011	0.4
229.07442	1.7
231.07089	1.9
231.08899	0.5
237.02745	0.5
237.07919	1.3
239.09528	1.4
241.07407	2.0
241.11194	0.5
247.08533	0.5
249.07930	6.4
255.08957	2.3
259.12204	0.7
267.09012	75.1
268.09338	1.1
273.10004	0.9
281.10477	0.7
284.12604	0.8
285.10068	100.0
286.10425	1.5
290.10574	4.3
299.11633	40.0
300.11853	0.4
303.11200	3.5
308.11688	4.7
310.03445	0.5
310.64258	0.4
317.12686	62.2
318.13037	1.0
340.14276	7.4
390.16959	2.0
509.24399	0.6
527.25183	2.9
559.27484	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	559.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81190	0.9
55.01872	2.1
55.05506	2.3
55.93520	4.4
56.94301	2.8
59.10809	1.0
61.02928	1.5
67.05499	3.4
69.03426	2.2
69.07066	1.6
70.04082	10.4
70.06591	4.3
70.95860	11.6
71.92977	1.2
72.93787	17.9
73.95322	0.9
79.05498	3.4
81.03412	4.4
81.07046	6.4
84.08104	1.6
85.02908	2.5
85.93218	0.9
86.09692	1.5
87.04477	1.2
88.96897	10.6
89.06025	1.1
89.17038	1.0
90.94823	11.0
91.05474	3.9
93.07033	3.8
95.04953	3.7
95.08620	1.8
97.02905	1.1
105.07036	3.7
106.97932	1.9
107.04936	8.2
107.08589	2.2
108.95877	4.5
109.06516	1.7
109.10192	1.0
113.06017	2.6
114.98485	1.2
116.21040	1.2
116.96371	2.2
116.98619	1.5
119.08524	5.4
121.06499	2.4
123.11704	2.2
126.98462	2.2
128.96353	3.8
130.97920	3.9
131.08569	1.5
132.95868	2.9
133.10120	3.9
134.97363	3.2
138.98462	2.2
141.00044	1.1
142.97888	7.1
144.95888	1.4
144.99472	3.5
146.97391	4.6
147.11696	1.5
148.98938	6.7
150.96875	4.3
154.97870	1.5
154.98988	1.4
155.01555	1.9
156.99464	4.6
158.97398	4.4
159.01054	1.6
160.99034	5.1
162.96896	1.8
163.00526	3.5
164.98558	1.3
164.99979	1.6
165.03671	2.2
166.97900	4.7
167.01541	2.5
168.99489	1.2
170.97406	1.6
171.01044	4.4
172.00632	1.5
172.99007	2.2
173.02647	1.1
174.96898	4.8
175.00543	4.4
176.98413	2.9
177.02063	2.0
179.01524	1.1
180.99380	1.4
184.98961	7.1
185.02615	1.3
186.96870	1.6
187.00555	3.5
189.02061	2.8
191.03610	1.6
192.99467	2.4
193.03194	2.7
195.01022	1.4
195.04672	1.1
196.98918	1.6
199.00514	2.6
199.04214	1.9
201.02054	3.4
203.05167	2.6
205.03145	3.6
207.01051	5.1
207.04776	1.9
208.98955	1.7
209.02655	2.2
211.04227	1.7
213.02104	3.4
213.05780	2.4
215.03673	3.5
217.05247	1.1
219.03015	1.4
221.02646	3.4
223.04231	2.4
223.07785	1.7
225.05756	3.9
227.03621	5.1
229.01582	1.4
229.05193	2.0
234.99019	3.1
235.07814	3.9
237.02226	1.6
237.05725	1.6
239.03648	4.3
243.06853	2.9
247.07802	1.0
251.03769	1.3
251.06873	1.4
255.06749	2.2
257.04630	1.6
265.08823	2.2
271.07632	1.4
273.09372	1.7
275.10916	14.4
277.08899	2.0
279.06802	1.9
283.09909	12.3
293.11966	91.2
295.09927	1.6
297.07953	2.2
311.13019	100.0
334.14783	1.8
335.13248	2.0
353.13773	1.3
358.99292	1.2
455.17252	3.6
473.18344	15.7
497.18170	2.3
515.19592	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	559.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
55.01867	8.5
55.05502	2.5
56.96575	1.9
57.03433	4.0
60.04511	1.5
61.02907	6.2
67.05495	1.7
68.85334	1.4
68.99779	3.6
69.03435	21.0
69.40629	2.8
69.41037	10.3
70.06590	18.8
71.04977	4.4
72.08134	5.2
73.02900	5.3
73.51729	1.3
79.05493	4.5
81.02972	2.0
81.03419	18.4
84.04500	3.6
84.08121	6.6
85.02908	37.7
86.09714	9.9
87.00829	13.9
87.04429	1.4
87.10046	1.6
91.03932	2.9
91.05491	9.1
93.07040	1.3
93.88472	1.4
94.04214	2.9
95.04971	2.9
97.02906	16.0
97.06541	2.5
97.10189	1.6
99.04436	5.5
103.03914	3.1
103.05441	3.7
105.01854	10.4
105.07037	5.9
107.04952	16.3
108.05263	2.6
108.08106	2.0
109.02873	16.4
109.06501	2.7
110.07191	2.4
111.04380	2.1
115.03923	4.7
115.05446	3.2
117.01855	3.3
117.07069	1.7
119.08569	2.2
120.08105	3.4
122.03630	4.5
123.04426	1.5
127.03920	28.0
127.05434	1.7
128.06198	1.9
129.01825	2.8
129.06969	4.8
129.10258	2.1
131.04932	5.1
132.05652	1.7
133.06482	5.4
137.05975	74.9
138.74774	1.4
141.06987	7.1
145.04939	9.9
145.06477	3.4
146.03571	1.8
147.08020	2.8
149.05971	4.4
151.03911	10.5
151.07507	10.0
155.04929	6.7
159.02892	11.2
159.04210	2.9
159.08040	4.0
161.05977	21.4
162.06653	2.0
163.07545	4.9
165.07034	2.6
169.06496	11.9
170.07217	2.0
171.08015	2.2
175.07530	23.5
181.06409	1.8
183.07996	1.8
184.05151	2.1
185.06018	1.7
186.06793	3.4
187.07538	12.4
189.05470	4.7
189.06979	2.4
189.09125	2.0
190.07787	4.9
191.06960	3.9
191.08556	16.8
196.05215	1.6
197.05885	3.2
198.06923	1.6
199.07542	15.4
201.09137	6.4
202.07819	2.5
203.06935	2.7
203.08580	3.6
205.06502	3.7
207.08032	2.7
208.08813	3.0
211.07503	4.7
213.08911	2.4
215.06842	3.2
215.08626	4.5
217.08466	1.8
218.07277	6.9
219.08035	29.0
220.08847	4.2
220.45309	1.9
221.09654	2.7
225.09125	1.9
229.08586	16.6
231.04863	4.1
231.07988	4.4
232.08783	3.0
233.05884	2.1
233.09634	5.8
234.06688	3.7
235.07542	4.5
236.08342	11.8
237.09203	4.7
241.08542	3.0
242.07224	2.0
243.08025	8.5
244.08723	2.8
245.09608	1.9
247.07497	15.3
248.08328	4.6
249.09164	3.8
250.09836	1.7
251.06906	3.5
251.10689	35.1
253.08417	3.0
255.07965	2.7
257.09708	2.0
259.07520	4.2
260.08316	8.8
261.09131	9.3
262.10092	2.0
263.07132	3.2
263.10733	3.7
264.07822	7.9
265.08609	4.7
267.10367	1.5
268.10852	1.9
271.07568	4.8
272.08231	3.8
273.09171	4.2
275.06888	1.6
275.10681	7.0
276.07736	3.0
277.08521	9.3
279.10162	40.9
280.10703	4.4
281.08136	6.3
281.11694	2.7
283.09943	2.3
285.09085	1.8
287.10602	3.2
288.07883	8.9
288.10605	1.8
289.08682	9.0
289.11862	1.9
290.09332	3.4
291.10141	10.4
292.10968	3.4
293.08478	1.8
293.11697	4.4
294.08890	4.6
295.09650	2.1
296.10355	6.6
297.11215	4.5
301.08606	3.5
302.09360	2.6
303.10168	22.1
304.10904	2.7
306.08728	2.5
307.09738	1.9
307.13144	4.0
308.10370	4.7
309.11389	11.7
310.20139	2.3
311.12781	100.0
312.13104	2.4
315.10095	3.4
317.11685	2.5
320.10416	4.7
321.11212	16.6
322.11719	1.9
323.12799	22.8
325.14261	3.2
327.10193	2.4
330.12564	1.9
331.09402	1.9
333.11166	9.6
335.12720	23.4
337.14346	2.3
341.11588	2.5
343.09262	2.3
345.11121	3.6
347.12802	5.1
353.13788	32.5
354.08713	2.3
354.14114	1.5
359.12662	4.9
363.12408	1.9
365.13849	5.5
369.11066	4.4
373.14548	3.7
377.13745	7.6
397.23297	3.0
401.13803	19.3
419.14984	8.4
437.15536	2.4
455.17044	2.6
461.15854	2.2
473.17731	2.4
479.16577	1.7
497.17896	4.2
505.15042	2.0
523.16193	7.2
541.16772	6.2
559.18719	5.8
559.29114	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	559.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
55.01867	8.5
55.05502	2.5
56.96575	1.9
57.03433	4.0
60.04511	1.5
61.02907	6.2
67.05495	1.7
68.85334	1.4
68.99779	3.6
69.03435	21.0
69.40629	2.8
69.41037	10.3
70.06590	18.8
71.04977	4.4
72.08134	5.2
73.02900	5.3
73.51729	1.3
79.05493	4.5
81.02972	2.0
81.03419	18.4
84.04500	3.6
84.08121	6.6
85.02908	37.7
86.09714	9.9
87.00829	13.9
87.04429	1.4
87.10046	1.6
91.03932	2.9
91.05491	9.1
93.07040	1.3
93.88472	1.4
94.04214	2.9
95.04971	2.9
97.02906	16.0
97.06541	2.5
97.10189	1.6
99.04436	5.5
103.03914	3.1
103.05441	3.7
105.01854	10.4
105.07037	5.9
107.04952	16.3
108.05263	2.6
108.08106	2.0
109.02873	16.4
109.06501	2.7
110.07191	2.4
111.04380	2.1
115.03923	4.7
115.05446	3.2
117.01855	3.3
117.07069	1.7
119.08569	2.2
120.08105	3.4
122.03630	4.5
123.04426	1.5
127.03920	28.0
127.05434	1.7
128.06198	1.9
129.01825	2.8
129.06969	4.8
129.10258	2.1
131.04932	5.1
132.05652	1.7
133.06482	5.4
137.05975	74.9
138.74774	1.4
141.06987	7.1
145.04939	9.9
145.06477	3.4
146.03571	1.8
147.08020	2.8
149.05971	4.4
151.03911	10.5
151.07507	10.0
155.04929	6.7
159.02892	11.2
159.04210	2.9
159.08040	4.0
161.05977	21.4
162.06653	2.0
163.07545	4.9
165.07034	2.6
169.06496	11.9
170.07217	2.0
171.08015	2.2
175.07530	23.5
181.06409	1.8
183.07996	1.8
184.05151	2.1
185.06018	1.7
186.06793	3.4
187.07538	12.4
189.05470	4.7
189.06979	2.4
189.09125	2.0
190.07787	4.9
191.06960	3.9
191.08556	16.8
196.05215	1.6
197.05885	3.2
198.06923	1.6
199.07542	15.4
201.09137	6.4
202.07819	2.5
203.06935	2.7
203.08580	3.6
205.06502	3.7
207.08032	2.7
208.08813	3.0
211.07503	4.7
213.08911	2.4
215.06842	3.2
215.08626	4.5
217.08466	1.8
218.07277	6.9
219.08035	29.0
220.08847	4.2
220.45309	1.9
221.09654	2.7
225.09125	1.9
229.08586	16.6
231.04863	4.1
231.07988	4.4
232.08783	3.0
233.05884	2.1
233.09634	5.8
234.06688	3.7
235.07542	4.5
236.08342	11.8
237.09203	4.7
241.08542	3.0
242.07224	2.0
243.08025	8.5
244.08723	2.8
245.09608	1.9
247.07497	15.3
248.08328	4.6
249.09164	3.8
250.09836	1.7
251.06906	3.5
251.10689	35.1
253.08417	3.0
255.07965	2.7
257.09708	2.0
259.07520	4.2
260.08316	8.8
261.09131	9.3
262.10092	2.0
263.07132	3.2
263.10733	3.7
264.07822	7.9
265.08609	4.7
267.10367	1.5
268.10852	1.9
271.07568	4.8
272.08231	3.8
273.09171	4.2
275.06888	1.6
275.10681	7.0
276.07736	3.0
277.08521	9.3
279.10162	40.9
280.10703	4.4
281.08136	6.3
281.11694	2.7
283.09943	2.3
285.09085	1.8
287.10602	3.2
288.07883	8.9
288.10605	1.8
289.08682	9.0
289.11862	1.9
290.09332	3.4
291.10141	10.4
292.10968	3.4
293.08478	1.8
293.11697	4.4
294.08890	4.6
295.09650	2.1
296.10355	6.6
297.11215	4.5
301.08606	3.5
302.09360	2.6
303.10168	22.1
304.10904	2.7
306.08728	2.5
307.09738	1.9
307.13144	4.0
308.10370	4.7
309.11389	11.7
310.20139	2.3
311.12781	100.0
312.13104	2.4
315.10095	3.4
317.11685	2.5
320.10416	4.7
321.11212	16.6
322.11719	1.9
323.12799	22.8
325.14261	3.2
327.10193	2.4
330.12564	1.9
331.09402	1.9
333.11166	9.6
335.12720	23.4
337.14346	2.3
341.11588	2.5
343.09262	2.3
345.11121	3.6
347.12802	5.1
353.13788	32.5
354.08713	2.3
354.14114	1.5
359.12662	4.9
363.12408	1.9
365.13849	5.5
369.11066	4.4
373.14548	3.7
377.13745	7.6
397.23297	3.0
401.13803	19.3
419.14984	8.4
437.15536	2.4
455.17044	2.6
461.15854	2.2
473.17731	2.4
479.16577	1.7
497.17896	4.2
505.15042	2.0
523.16193	7.2
541.16772	6.2
559.18719	5.8
559.29114	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	559.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87539	0.9
53.03921	1.1
56.05031	2.3
56.96562	9.7
60.04516	1.1
67.05505	1.7
69.07077	1.2
69.52573	2.1
69.52978	7.1
70.06592	16.3
72.08148	5.5
79.05480	1.8
81.03397	1.5
81.07041	2.3
83.06098	1.3
84.04498	3.4
84.08137	8.1
85.02908	2.7
86.09708	10.4
91.05463	3.4
95.04961	2.3
97.96817	1.9
98.20972	3.4
98.97584	17.1
99.08106	1.0
102.05483	1.3
103.05467	5.0
105.03387	1.0
107.04953	100.0
108.05297	1.4
109.02858	1.5
110.07156	2.8
115.05433	2.4
115.97814	2.0
116.98621	17.4
117.07006	4.5
119.04965	2.2
120.08074	2.3
122.03594	0.9
127.03896	2.0
128.06250	1.4
129.07021	6.1
129.10228	4.2
131.04926	19.8
132.05760	1.5
133.06509	1.3
133.98854	1.2
134.99646	11.4
136.07521	1.3
137.05986	14.0
141.06995	2.2
145.06479	37.2
146.99644	1.8
147.04350	1.6
149.05989	1.5
153.00684	2.0
157.06479	16.2
158.99661	2.0
161.05991	1.8
169.06490	7.8
170.71471	1.0
177.00705	7.2
184.07300	1.3
187.02823	2.1
187.07426	1.2
190.07640	1.1
192.09407	1.1
193.01819	1.2
202.07806	1.6
203.08580	1.2
207.08101	1.5
215.08524	1.9
218.07245	1.7
219.01595	1.9
219.07980	1.9
220.08841	3.0
223.07747	1.4
225.04308	1.3
231.07983	1.3
233.09631	3.0
235.02763	4.5
235.11174	3.1
236.08331	1.8
237.09323	1.1
245.09676	2.2
247.07471	1.1
248.08240	2.3
249.08995	1.4
251.10666	24.1
261.09143	3.3
263.10709	12.8
263.13220	2.4
265.14999	1.2
275.05984	2.6
279.03955	1.9
281.11710	13.6
281.14438	1.3
289.05630	2.9
293.11731	2.9
307.06326	9.9
321.04404	4.8
325.07465	52.1
326.07822	1.5
337.07217	2.2
339.05408	8.2
343.08551	3.7
348.09091	2.3
349.07452	45.3
355.08511	2.4
357.06360	1.6
361.07352	2.0
367.08548	19.1
379.08627	8.8
381.10175	1.2
385.09430	2.5
390.10065	3.9
397.09549	24.4
409.09613	7.6
415.10547	1.3
417.30896	1.0
420.11194	2.4
439.10706	3.3
449.69086	1.2
499.12738	2.7
559.29010	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	558.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12825	0.4
53.03938	1.9
55.01866	1.8
55.05502	0.9
57.03433	1.1
57.07069	3.9
59.06996	0.4
61.02924	1.2
63.55473	0.4
67.05489	0.7
68.99786	1.6
69.03427	9.1
69.07058	5.2
70.04073	100.0
70.06583	1.5
71.04978	1.8
71.59944	0.6
72.08163	0.8
73.02911	1.3
79.05512	0.5
81.03413	12.6
81.07068	0.8
83.04979	0.6
83.08598	0.5
84.08171	0.5
85.02897	11.0
86.09699	1.1
87.00820	4.8
87.17460	0.5
91.03955	0.5
91.05488	1.0
93.07056	0.7
95.04986	0.9
97.02895	5.4
97.06509	0.7
99.00779	0.5
99.04441	2.4
105.01849	2.7
107.04935	3.0
107.08636	0.4
109.02881	9.3
109.03591	0.8
110.03619	1.0
111.04464	1.5
117.01878	1.2
117.07030	0.5
120.08090	0.6
121.06502	1.1
127.02959	0.7
127.03904	13.1
127.54562	0.5
129.01825	0.9
141.00974	0.8
145.00496	4.2
145.01366	0.4
145.04941	2.8
145.10179	0.4
147.02890	0.8
154.98914	8.3
157.00514	3.1
159.02881	3.0
169.00484	0.5
170.98473	1.1
171.02112	1.6
181.00482	0.8
183.02051	0.5
196.27866	0.4
207.02107	0.9
210.49785	0.5
211.01488	0.7
212.99533	1.0
213.03986	1.0
213.06760	2.8
231.05075	1.6
235.01649	1.0
241.10844	0.5
253.02596	0.7
310.09491	23.9
452.15381	0.5
558.14862	2.0
558.34381	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	558.292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.2
55.05511	6.5
57.03436	13.7
57.07032	1.4
59.87857	1.6
67.05499	10.2
69.07061	2.2
70.06581	3.4
70.56642	1.4
71.04988	1.1
71.59235	2.0
79.05492	9.8
81.07042	8.7
83.08608	2.8
85.06544	6.6
86.09673	2.7
91.05488	19.0
93.07047	13.9
95.04976	2.0
95.08595	5.1
97.10197	1.7
103.05456	2.3
105.07025	13.5
107.04944	9.4
107.08577	4.0
109.06510	5.1
109.10133	3.5
114.53448	1.3
117.07003	12.4
119.04958	1.2
119.08570	9.4
121.06499	1.9
121.10139	4.6
122.79173	1.5
123.08092	1.6
128.06175	1.5
129.07018	11.2
131.04961	2.0
131.08549	16.9
133.06508	2.4
133.10127	3.2
135.08034	3.1
135.11700	1.3
136.06184	100.0
137.09616	2.2
142.07790	1.5
143.08557	8.2
145.06502	1.4
145.10103	11.6
147.08046	5.8
147.11688	2.5
149.09595	5.5
157.10094	7.4
159.08076	3.4
159.11665	3.5
161.09612	6.7
169.10089	1.7
171.11668	4.5
173.13222	3.0
175.11189	2.0
176.09358	1.6
183.11685	4.5
199.11064	1.5
199.14822	7.4
201.12762	4.8
207.13794	2.7
209.13158	1.5
217.15880	32.3
219.13803	2.5
222.67151	1.4
237.16347	2.0
255.17409	5.8
268.10376	5.8
273.18503	38.2
290.16022	2.2
291.19504	24.5
349.16592	1.4
379.91446	1.3
380.52481	1.3
408.23926	2.1
426.24960	22.0
558.29034	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	558.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	3.6
57.03434	2.5
58.96149	1.6
67.05501	5.0
69.07067	3.2
71.07378	21.0
71.58912	2.5
79.05495	2.5
81.07055	4.6
83.08620	2.5
86.09707	100.0
91.05466	2.5
95.08616	4.3
104.10752	5.8
105.07082	3.5
109.10178	2.5
120.42495	1.7
122.40255	1.8
155.13199	1.8
162.95583	92.3
184.07234	2.2
212.00903	1.9
325.07483	2.1
337.27408	5.1
422.42407	2.2
432.22501	1.9
499.22247	91.4
558.29578	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20365	0.3
53.03938	1.4
54.81352	0.3
55.01866	1.2
55.05515	0.7
57.03423	0.6
57.07068	1.2
57.37133	0.3
58.56081	0.3
61.02927	1.2
67.05505	0.8
68.99786	0.9
69.03429	7.3
69.07063	1.5
70.04071	100.0
70.06570	2.1
70.14909	1.8
71.01337	0.5
71.04984	1.2
72.08115	0.5
73.02912	1.7
79.05488	0.8
81.03411	13.1
81.07027	0.6
83.04936	0.6
84.08141	1.1
85.02895	7.0
86.09694	1.0
87.00831	4.7
87.04459	0.6
89.06030	0.6
91.03973	0.6
91.05476	1.1
93.07062	1.0
95.04979	0.9
95.08611	0.8
95.35638	0.3
97.02886	4.9
97.06514	0.5
98.20852	0.4
99.04445	2.6
103.03912	0.4
105.01861	2.3
107.04941	2.6
107.08589	0.4
109.02871	7.5
109.03563	0.5
109.06508	0.4
109.10139	0.5
110.03587	0.7
110.07127	0.3
111.04457	1.4
114.99530	0.4
116.18295	0.3
117.01881	1.0
117.40028	0.3
121.06513	0.8
127.03905	8.1
129.01874	1.2
133.08604	0.3
137.05986	0.4
141.01077	0.4
142.98990	1.1
145.04964	1.7
146.60474	0.3
150.09164	0.3
151.03899	0.4
154.98933	13.0
159.02873	3.8
169.00505	0.8
181.00539	1.4
195.01959	0.5
207.00143	0.4
207.02112	1.6
213.04001	0.6
223.01604	0.3
231.05098	1.6
235.01634	1.1
253.02646	0.8
285.46289	0.4
310.09494	18.2
318.09021	0.4
327.14493	0.5
542.52332	0.4
558.15057	2.6
558.33801	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.05510	15.9
57.07082	5.7
63.06800	1.0
65.30640	1.1
67.05501	25.5
69.07068	14.9
70.78297	3.4
71.04994	2.3
71.08629	2.6
73.06548	1.2
79.05488	11.7
80.23259	1.0
81.07054	33.3
83.08615	9.7
85.10175	1.4
91.05489	13.8
93.07033	18.0
95.04974	2.1
95.08607	25.1
96.08984	1.1
97.06555	2.2
97.10170	3.9
98.98463	9.3
105.07035	23.4
107.08601	10.5
109.10166	9.1
111.08089	1.7
111.11742	1.6
117.06982	6.9
119.08583	22.2
119.09371	2.0
121.10134	6.8
123.11729	3.6
124.99854	1.1
125.09655	2.0
129.07030	3.8
131.08560	14.3
133.10126	10.7
135.11673	4.5
137.13277	2.4
143.08557	3.8
145.10135	11.1
147.11688	3.5
149.09674	1.3
149.13252	1.6
151.14859	1.2
155.01059	9.4
155.08586	1.7
156.01369	2.8
157.01511	1.7
157.10091	2.6
159.11726	5.0
161.13243	5.5
171.11681	2.5
173.13327	3.2
175.14828	5.0
177.16463	1.3
183.11650	1.7
184.07385	1.4
185.13260	2.5
187.14891	2.9
189.16341	5.6
197.13219	1.9
199.14851	2.0
201.16406	3.3
203.17981	2.0
213.16469	1.7
215.18001	1.5
233.15353	1.4
257.22604	1.5
259.24350	1.2
265.21707	2.4
277.21646	1.7
279.23355	1.5
291.23102	1.3
293.99896	1.1
303.23157	1.8
313.27521	2.1
314.27692	2.3
315.28055	2.6
317.24811	3.1
318.63904	1.1
331.26288	2.0
331.92667	1.2
343.26447	1.4
369.69574	1.2
375.32507	3.2
387.32599	2.5
401.34198	2.0
433.11267	1.1
445.33118	2.4
459.35126	1.3
473.36734	1.6
480.74866	1.1
521.43640	4.3
539.44189	5.5
557.45667	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.6
55.01862	3.6
55.05507	25.0
57.03437	8.9
57.07066	4.8
58.44825	1.3
59.04992	1.4
65.03945	2.1
67.05498	45.7
69.07061	17.5
71.04980	4.9
74.00661	1.5
77.03970	1.6
77.77584	1.5
79.05488	43.5
81.03403	4.5
81.07054	46.2
81.07517	3.5
83.04981	4.8
83.08616	10.4
85.06525	2.1
89.06014	7.1
91.05473	43.7
93.07032	39.5
95.04942	8.8
95.08604	36.2
95.09219	1.9
97.06540	4.9
97.10177	4.7
99.08094	1.5
103.05471	2.6
105.03387	7.5
105.07025	58.9
106.07394	2.3
107.04937	7.6
107.08591	23.0
109.06535	3.3
109.10153	12.7
111.08057	1.9
111.68439	1.6
115.05473	3.8
117.07008	23.1
119.08569	33.2
119.09353	2.6
121.06542	1.8
121.10126	12.4
123.08092	5.1
123.11728	2.0
125.09682	2.0
128.06213	5.4
129.06996	26.6
130.07755	1.9
131.08563	38.3
133.06509	2.7
133.08640	1.9
133.10114	21.2
135.08038	2.6
135.11697	9.9
137.09618	3.4
141.06969	10.0
142.07813	4.3
143.08539	32.1
144.09378	1.7
145.06514	2.7
145.10103	35.5
147.08081	4.1
147.11697	15.7
149.09673	2.3
149.13292	5.7
151.11166	1.7
153.06985	2.2
154.07817	2.5
155.08543	23.9
156.09337	2.9
157.10109	25.8
159.08113	3.7
159.11696	20.0
161.13223	12.0
163.14880	2.2
165.06989	3.6
167.08524	10.5
168.09314	2.3
169.10107	25.8
171.08067	2.6
171.11655	22.8
173.13223	14.5
175.14803	4.8
179.08578	3.7
181.10098	17.8
182.10812	2.0
183.11687	20.7
185.09697	2.0
185.13225	17.3
187.11211	3.0
187.14821	7.0
189.12811	2.3
193.10229	5.2
195.11642	16.1
197.13252	16.0
197.64552	1.7
199.14848	11.0
201.16463	3.6
205.10092	1.9
207.11720	4.9
207.13831	4.3
209.13234	11.9
211.11290	1.7
211.14830	10.5
213.12947	1.9
213.16365	9.9
215.17989	2.3
219.11705	2.4
221.13367	4.9
223.14886	7.1
225.16496	4.9
229.15872	2.0
231.17450	2.0
231.21129	2.5
235.14743	2.8
237.16454	4.0
239.18060	3.5
241.19534	6.9
247.17027	3.7
249.16354	3.6
251.14272	1.6
251.17989	2.2
257.19046	2.1
259.20633	10.8
275.20264	1.6
279.16003	3.1
281.17148	8.0
283.20673	2.2
285.22052	1.7
293.18768	1.7
297.22266	3.2
299.20151	1.9
311.20285	2.5
315.23398	2.6
321.22131	2.5
323.19937	1.9
323.23700	4.9
329.15775	1.6
333.24197	4.9
335.23886	3.4
339.23346	3.1
341.24481	2.3
349.25104	2.4
353.24771	3.0
355.26193	1.9
367.26181	2.2
419.33203	3.7
429.31671	6.4
435.32184	2.2
437.34180	13.0
447.32590	29.7
465.33676	32.4
483.34784	17.4
501.35544	3.0
503.35291	2.1
511.37607	3.7
521.36169	10.1
527.37598	2.6
529.38855	10.2
539.37323	100.0
540.37598	4.4
557.38428	53.0
558.38574	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	557.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	2.1
53.03931	6.0
55.01848	2.6
55.05262	2.1
55.05507	25.1
57.03415	7.4
65.03919	2.9
67.05166	3.1
67.05501	45.7
69.07060	15.4
71.04969	4.2
79.05482	39.3
81.03402	3.2
81.07050	42.1
83.04967	3.2
83.08580	10.6
85.06538	2.0
87.04466	2.3
89.06016	5.9
91.05473	40.4
93.06460	3.3
93.07031	38.6
95.04970	9.2
95.08601	29.3
97.06509	8.2
97.10149	6.7
99.08093	2.0
103.05455	3.2
105.07027	67.2
106.07338	3.3
107.04950	6.8
107.08584	18.8
107.36803	1.9
108.18507	1.8
109.06479	3.0
109.10149	14.3
111.08082	3.2
115.05447	4.5
117.06996	20.1
119.07777	2.9
119.08569	32.9
121.06526	4.9
121.10133	14.5
123.08081	4.6
123.11691	2.4
125.09635	3.5
128.06204	6.2
129.07008	18.3
130.07748	2.2
131.08571	29.7
133.08617	4.0
133.10118	21.0
135.08051	2.6
135.11676	6.8
141.06998	7.9
141.39845	1.8
143.08560	30.8
145.10120	27.9
147.07994	4.1
147.11684	16.4
149.09581	2.6
149.13225	4.5
153.06985	3.8
154.07716	2.3
155.08545	22.6
156.09286	2.0
157.10121	24.9
159.11685	18.6
161.09680	2.8
161.13268	8.6
165.07082	2.5
167.08511	7.5
168.09331	3.7
169.10097	25.9
171.11662	24.9
173.09633	3.2
173.13252	11.8
175.11261	2.6
175.14786	5.2
177.12741	3.2
179.08588	3.2
181.10107	11.6
183.11687	21.8
185.13272	14.4
187.14790	6.0
189.12665	2.0
193.10121	5.4
195.11670	14.9
197.13239	15.4
199.14838	11.3
201.16341	2.2
207.11742	4.8
207.13687	2.5
209.13211	7.9
211.14801	9.5
213.16344	10.3
221.13246	4.1
223.14783	8.6
225.12737	2.2
225.16429	4.2
231.17392	2.3
235.14832	3.5
237.16411	4.6
239.18016	2.2
241.19504	5.6
247.14729	2.2
247.16972	3.2
249.16409	2.4
257.18994	3.8
259.20584	14.2
265.17810	2.1
279.15878	5.3
281.17279	11.4
309.21933	3.2
313.21475	3.4
315.23145	2.8
323.23718	4.4
327.23068	2.5
333.24158	6.4
335.23581	3.9
337.25211	2.6
353.24585	4.7
419.32977	5.9
429.31467	5.6
437.34073	14.7
447.32596	27.8
465.33691	26.3
483.34775	21.3
511.38077	3.6
521.36218	10.7
529.38965	9.1
539.37341	100.0
540.37341	2.9
542.29431	1.9
557.38403	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80474	3.1
55.01853	3.3
55.05513	20.6
57.03432	6.0
57.07060	13.5
59.49169	3.2
65.57146	3.0
67.05500	37.8
69.07067	29.8
69.76115	5.1
69.76524	13.7
71.08620	3.6
73.02953	2.9
76.42145	3.2
79.05486	35.9
81.03419	6.3
81.07063	46.2
83.04994	4.0
83.08603	10.6
85.06557	4.5
88.56660	3.4
89.06043	5.0
91.05468	33.2
93.07045	30.9
95.04958	9.9
95.08602	28.1
97.06538	4.7
97.10179	4.6
105.06371	6.1
105.07024	62.6
106.07363	4.7
107.04949	6.8
107.08614	18.2
109.10162	11.9
117.06993	12.1
119.08581	24.8
121.06483	6.2
121.10178	11.2
123.08036	5.8
128.06129	4.0
129.07001	18.0
131.08572	34.3
133.08588	3.7
133.10135	16.1
135.11697	7.3
141.06979	9.0
142.07784	6.7
143.08551	20.2
145.06522	3.4
145.10104	28.6
147.11693	13.3
149.13245	5.8
155.08572	18.2
157.10155	17.9
159.11699	13.5
161.09624	6.0
161.13251	10.0
163.14729	3.3
164.71399	2.9
166.74573	3.2
167.08563	8.6
168.09238	3.5
169.10107	20.5
171.11647	19.5
173.13268	13.6
175.14716	3.0
179.08667	7.0
181.10097	16.7
183.11676	15.6
185.13240	15.6
187.11087	4.5
187.14841	3.7
193.10007	4.0
195.11702	10.1
195.18335	3.2
197.09561	3.9
197.13228	15.4
199.14847	5.3
207.11748	4.5
207.13861	4.3
209.13206	11.2
211.14810	10.0
213.16411	9.2
221.13234	4.5
223.14767	9.1
225.16342	4.8
235.14761	5.6
237.16454	5.5
239.17760	3.4
243.15633	4.0
259.20587	10.4
279.15811	6.2
281.17361	4.8
328.09000	3.8
335.23657	4.3
339.22998	3.8
419.33002	3.5
429.31287	5.0
437.34146	14.4
447.32648	29.4
465.33661	24.4
483.34634	21.2
501.05634	6.2
521.35553	7.8
529.38696	10.6
539.37341	100.0
557.38251	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.1
55.01867	4.4
55.05507	28.1
57.03431	7.6
57.07078	3.4
65.03934	3.8
66.85947	1.4
67.05498	51.2
69.03381	1.8
69.07067	17.0
69.38039	14.8
71.04996	3.3
79.05489	40.8
81.03429	6.6
81.07049	51.0
81.07511	3.2
83.04986	5.9
83.08607	9.0
85.02924	1.7
85.06538	1.7
91.05473	40.7
93.07032	41.4
95.04942	9.5
95.08595	30.0
97.06523	4.7
97.10167	5.6
103.05496	1.9
105.04539	1.7
105.07022	40.7
106.07394	1.6
107.04946	8.1
107.08579	23.0
109.06533	5.1
109.10146	15.1
111.08088	4.6
117.07011	21.7
119.08576	33.6
121.06526	6.7
121.10120	16.1
123.08083	4.2
123.11700	2.3
125.09596	2.5
128.06210	6.0
129.07004	23.8
130.07779	2.0
131.08553	31.2
133.06441	2.1
133.10129	21.6
135.08116	4.6
135.11668	11.4
141.06993	11.0
142.07806	4.6
143.08551	28.3
145.06479	1.6
145.10110	32.2
147.08105	2.2
147.11679	17.8
149.09630	4.9
149.13281	4.5
151.11172	2.6
153.07018	3.7
154.07756	2.8
155.08536	25.2
156.09276	3.1
156.36772	1.7
157.10110	25.8
157.11282	2.3
159.08124	3.0
159.11656	17.0
161.09633	2.0
161.13217	11.5
163.11234	3.3
163.14870	2.5
167.08556	9.1
168.09413	1.7
169.10120	26.1
171.08144	1.7
171.11685	22.7
173.13283	9.5
175.11218	2.2
175.14853	6.4
178.09276	1.7
179.08575	3.2
180.09296	2.5
181.10126	18.3
181.11707	1.9
182.10851	1.8
183.11690	21.7
183.13193	1.8
185.09731	1.9
185.13255	20.7
187.11229	4.1
187.13326	1.4
187.14830	5.7
189.12726	3.9
193.10156	4.4
195.11676	13.0
196.12393	1.9
197.13214	18.4
199.11110	2.1
199.14815	8.4
201.16483	3.9
205.10184	1.9
205.12173	1.9
207.11879	3.6
207.13797	3.4
209.13268	9.3
211.14777	10.4
213.16400	9.2
215.14319	2.0
219.11635	1.8
219.17427	2.1
221.13335	4.1
223.14917	7.2
225.16364	3.2
227.12790	2.3
229.15938	1.5
233.13234	2.0
235.14983	2.0
237.16415	4.0
241.19563	6.0
247.14767	2.8
247.17049	2.1
251.17953	2.5
253.19664	1.8
255.17310	1.9
257.19070	3.4
259.20599	11.7
261.22104	1.9
263.95822	1.6
275.20203	2.2
279.16016	4.8
281.17255	7.9
285.18582	1.8
287.20251	3.0
297.21967	1.9
309.22412	2.4
311.20313	1.8
313.21829	2.6
321.22302	3.2
323.23691	3.4
325.25446	2.8
327.23129	2.5
333.24316	5.3
335.23801	2.2
339.23138	2.0
341.24902	3.0
342.89621	1.5
353.24847	2.2
367.25772	1.8
379.26263	2.0
419.33447	3.9
429.31509	5.6
437.34061	10.1
447.32535	26.2
465.33688	23.7
483.34860	19.5
485.33902	1.6
501.35519	3.5
503.35336	2.1
521.35944	7.9
529.39063	8.8
539.37292	100.0
557.38397	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	557.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35272	1.4
53.03936	5.5
53.99848	1.5
55.01856	4.3
55.05506	20.5
57.03426	8.9
57.07065	3.1
65.03929	3.8
67.05501	45.9
69.03400	1.9
69.07061	18.3
69.37022	4.0
69.37424	15.6
70.04073	1.6
71.04967	4.3
79.05490	42.8
81.03418	4.7
81.06570	2.9
81.07047	45.1
82.07371	1.6
83.04961	5.2
83.08612	11.3
85.06547	4.8
89.03371	1.5
91.04955	3.0
91.05475	38.2
93.07036	35.4
95.04971	10.7
95.08598	30.6
97.06528	3.9
97.10165	6.8
103.05425	2.4
105.07024	32.8
107.04935	6.8
107.08589	19.7
109.06508	3.6
109.10140	12.8
111.08067	2.2
115.05485	2.8
117.07015	18.5
119.08578	27.8
121.06480	2.1
121.10135	12.3
123.08042	5.0
123.11674	3.8
125.09625	3.2
128.06229	5.3
129.06996	21.8
131.08553	33.8
133.10123	17.9
135.08003	2.3
135.11707	10.5
141.06967	7.7
142.07759	3.5
143.08543	22.2
145.06485	2.2
145.10104	26.9
147.08040	1.9
147.11674	16.8
149.09584	4.7
149.13307	5.3
153.06975	2.4
155.08548	19.6
156.09344	3.0
157.10110	19.6
159.08031	3.4
159.11662	18.5
161.13266	9.7
163.11203	5.5
163.14915	1.9
166.07742	2.2
167.08568	7.9
168.09386	2.8
169.10112	23.7
171.11670	21.0
173.13277	10.1
175.11198	3.4
175.14813	3.7
177.12738	2.6
179.08524	3.1
181.10100	13.6
181.11511	1.5
181.12219	1.7
182.10867	2.4
183.11688	20.6
185.09642	2.8
185.13245	15.6
187.11145	2.6
187.14836	5.9
189.11234	2.2
189.12733	4.0
193.10184	3.8
193.68047	1.9
195.11658	14.9
197.13264	14.1
199.14815	10.9
201.16335	2.8
207.11740	3.8
207.13670	4.0
209.13313	8.9
211.03380	1.6
211.14758	8.0
213.16345	8.4
219.11674	1.8
219.17407	4.3
221.13231	6.3
223.14803	5.9
225.16409	3.3
227.12663	3.3
233.13159	1.7
237.16379	5.2
239.17897	2.9
241.19505	7.2
247.16905	2.8
251.17958	2.3
255.17566	2.2
257.18979	3.4
259.20578	9.1
269.22739	1.7
275.20096	3.1
279.15765	3.4
281.17499	6.4
287.20023	2.4
297.18195	1.7
299.20517	1.8
299.23920	1.9
313.21689	2.2
323.23721	3.3
325.25089	1.7
327.22998	2.5
333.24283	3.9
335.23776	3.1
341.24747	2.6
349.25253	2.6
353.24704	2.2
363.26913	2.3
367.25952	2.0
368.39136	1.9
413.71640	1.9
419.33078	5.5
429.31467	6.4
437.34280	10.6
441.89249	1.7
447.32578	27.0
465.33673	29.2
483.34863	20.4
503.35257	2.6
511.37314	2.0
521.36426	9.2
527.37512	2.6
529.38831	8.7
539.37323	100.0
540.37390	2.5
557.38501	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41470	1.5
53.03939	4.5
54.04322	1.4
55.01880	9.0
55.05260	2.7
55.05507	43.3
57.03437	7.7
61.02917	1.6
63.86568	1.4
65.03905	2.8
67.05499	54.5
69.03423	7.5
69.07058	25.4
70.51261	6.5
71.04980	4.8
79.05489	55.2
81.03411	33.5
81.07052	52.6
83.04973	10.2
83.08614	20.7
85.02923	2.5
85.06534	3.4
91.05472	52.4
93.07035	37.0
93.86638	1.7
95.04960	24.0
95.08595	30.0
97.02887	6.6
97.06524	8.4
97.10159	27.7
99.08115	1.6
103.05461	3.9
105.07014	40.7
107.04933	19.3
107.08579	30.6
109.02870	4.5
109.06508	11.3
109.10148	16.4
111.04438	2.7
111.08089	5.0
113.05974	1.9
115.05442	4.3
117.07013	26.0
119.08567	28.6
121.06474	11.1
121.10129	15.2
123.08066	4.3
123.11716	2.6
125.09620	22.5
127.03836	2.0
128.06206	6.6
129.06996	18.5
130.07770	2.5
131.08556	27.2
131.16782	1.7
133.06477	7.4
133.10117	22.9
135.08046	8.2
135.11703	9.1
137.09613	3.7
139.11147	1.6
141.06998	8.7
142.07776	4.3
143.08551	17.6
145.06477	6.9
145.10107	28.3
147.08044	8.4
147.11676	14.7
149.09622	6.9
149.13284	2.8
151.11150	4.5
153.09169	2.9
154.07828	2.2
155.08548	9.3
157.06516	3.2
157.10120	15.4
159.08083	5.9
159.11694	14.9
161.09605	8.0
161.13229	4.4
163.11171	8.4
165.06882	2.5
167.08566	3.9
169.10103	12.5
171.08003	4.3
171.11671	15.8
173.09624	5.9
173.11826	2.4
173.13303	7.2
175.11232	7.2
179.08537	1.8
179.14229	2.5
181.10086	7.9
183.08035	2.9
183.11681	10.2
185.09686	2.8
185.13211	10.3
187.11183	3.7
189.09251	2.3
189.11244	7.6
189.12698	2.2
191.10696	3.4
193.10400	2.6
193.12271	9.2
195.08069	2.6
195.11723	5.4
195.13487	1.5
197.09517	4.1
197.13260	3.9
199.11177	4.0
199.14877	2.3
201.12753	3.1
205.12161	3.0
207.11674	3.6
209.09613	2.6
209.13264	6.2
211.11145	2.3
211.14790	3.4
213.12762	2.8
219.11815	3.6
219.13831	6.7
221.13187	2.2
223.11180	3.7
223.13324	4.9
223.15070	3.1
227.10710	3.0
227.12659	17.3
231.11726	1.7
235.14816	3.3
239.18208	2.7
249.14864	1.6
257.19128	4.9
259.20596	3.5
269.19083	2.7
273.18463	8.3
275.20090	12.2
281.13834	2.9
285.22098	4.7
287.20047	3.9
291.19498	27.2
297.18408	3.4
311.20087	4.4
313.21576	17.9
315.19476	3.5
329.21228	2.4
331.22659	1.9
335.20001	2.3
337.21411	2.8
353.21259	2.8
419.29459	7.9
429.27866	3.8
437.30673	8.5
445.26160	3.0
447.28976	16.7
455.31445	3.4
465.29993	39.1
466.30545	2.6
483.30963	22.4
501.32257	3.4
511.34186	12.4
513.35883	2.4
521.32623	4.2
529.35309	28.9
539.33600	57.8
540.33777	2.5
557.34698	100.0
558.35040	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	557.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.5
55.01868	11.0
55.05508	43.4
57.03432	6.3
57.07057	5.9
59.04956	1.5
65.03927	3.6
67.05502	54.1
69.03422	7.2
69.07064	26.0
71.04984	3.7
71.59148	1.5
77.95078	1.4
79.05486	54.1
81.03413	24.2
81.07053	50.1
83.04980	7.8
83.08611	22.2
85.06534	3.4
85.80249	1.3
91.05471	53.6
92.05784	1.3
93.07036	39.5
95.04964	16.2
95.08597	28.9
97.02876	5.3
97.06532	8.1
97.10163	24.1
99.04446	1.5
103.05470	3.1
105.03349	1.5
105.04540	1.9
105.07020	45.7
107.04943	17.3
107.08588	27.9
109.02889	6.4
109.06505	7.3
109.10149	17.6
109.24892	1.1
111.04416	3.2
111.08077	4.8
113.05968	1.3
115.05437	3.6
117.07013	26.1
119.04945	2.1
119.08570	29.5
121.06494	5.5
121.10120	11.8
123.04428	1.4
123.08060	5.5
123.11703	3.9
125.09619	16.3
128.06209	6.7
129.06984	19.6
130.07764	3.1
131.04924	1.4
131.08554	31.5
133.06453	5.7
133.10130	23.3
134.07190	1.6
135.08022	7.8
135.11676	10.4
137.09612	3.6
141.06952	6.9
142.07782	5.6
143.08565	21.5
144.09267	1.3
145.06487	7.0
145.10101	26.6
147.08047	6.1
147.11674	14.1
149.09584	6.0
149.13200	1.6
151.07530	1.6
151.11168	3.0
153.07047	2.4
153.09125	3.8
155.08553	12.2
156.09303	2.1
157.06470	2.0
157.10103	18.4
159.08054	6.4
159.11656	17.1
159.12823	1.6
161.05911	1.7
161.09636	5.8
161.13226	3.2
163.11165	6.9
165.07066	1.7
165.09106	1.8
167.08542	4.5
168.09393	1.5
169.10115	12.9
171.08061	5.2
171.11668	15.6
172.95244	1.5
173.09602	5.3
173.13263	8.4
175.11194	3.2
175.14867	2.1
177.12759	2.4
179.08534	3.3
179.10754	2.1
181.10121	7.2
181.12265	1.9
182.10899	1.7
183.08043	3.7
183.11650	10.6
185.05850	1.7
185.09621	6.1
185.13264	10.6
187.11121	4.6
187.14847	2.5
189.09142	2.8
189.11215	9.5
189.12679	2.5
192.09592	1.6
193.10085	4.4
193.12076	2.3
195.08128	3.0
195.11691	6.0
197.09615	3.9
197.13220	8.0
199.11217	4.1
199.14804	5.0
201.12689	3.0
207.11710	3.2
209.09648	3.0
209.13312	5.8
211.11211	3.5
211.14841	3.7
213.12814	2.0
213.16385	1.5
215.10751	1.9
219.11926	2.5
219.13821	4.1
221.13251	3.1
223.11310	2.0
223.13211	3.6
223.15076	2.0
225.12862	2.8
225.16469	2.3
227.10713	2.8
227.12662	14.1
233.13321	2.0
235.14909	2.0
237.12846	1.8
237.16164	1.9
239.14278	1.7
239.17981	4.1
241.19592	1.3
251.17960	1.6
255.17601	2.3
257.19037	6.9
257.22336	1.4
259.20581	5.8
265.19366	1.3
267.21042	1.6
269.19022	3.3
271.17255	1.5
273.18503	5.7
275.20071	15.4
281.13834	6.1
283.20303	1.5
285.22101	5.5
287.20114	2.6
291.19498	24.9
295.20502	3.7
297.18610	2.6
299.19937	1.6
301.21683	1.5
311.20090	2.8
313.21628	16.6
315.19733	2.5
331.22394	2.3
337.21616	1.8
353.20956	1.4
363.22952	2.2
401.28452	2.5
419.29523	10.2
421.30984	2.4
429.27841	4.6
437.30591	10.2
447.28873	20.5
455.31622	5.4
456.30136	1.4
465.29929	43.9
471.18338	2.1
473.32715	2.0
483.31067	28.8
493.33292	1.9
501.32150	2.0
511.34006	14.4
513.35645	4.3
521.32629	5.4
529.35181	31.2
539.33618	65.8
540.33411	2.0
557.34680	100.0
558.34729	2.7
582.37213	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	556.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	12.8
57.03434	7.3
57.07069	25.6
67.05495	19.8
69.07054	14.9
69.43305	39.9
71.08630	25.4
74.29063	5.3
79.05492	21.1
79.56673	4.8
79.76429	4.8
81.07047	21.3
83.08594	14.4
85.10168	14.6
89.06022	11.4
91.05463	10.1
93.07012	33.1
95.08583	38.9
97.06505	5.7
97.10168	5.7
99.04370	5.7
99.72234	5.3
107.05003	5.6
107.08594	22.8
109.10158	10.7
112.49730	4.8
119.08570	12.4
121.06460	6.1
121.10130	7.5
125.05978	5.5
128.32053	4.6
135.08003	5.1
135.11688	43.7
145.10132	22.3
149.35143	5.3
163.11162	43.3
181.12241	9.8
219.80772	4.9
227.12770	76.9
261.75143	4.7
283.15402	44.7
309.66858	5.0
313.27371	100.0
521.38287	76.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.5
53.03937	0.9
56.12298	0.2
57.07054	0.4
65.82279	0.2
69.07054	0.7
70.85284	0.6
74.48531	0.2
77.03939	0.7
77.83038	0.3
79.05486	4.6
87.04467	0.6
89.06023	6.0
91.05465	1.1
93.07043	1.8
95.04951	2.4
98.21464	0.3
103.05464	4.0
105.07024	100.0
106.07348	0.6
119.04944	0.3
121.06499	8.4
131.08548	0.6
133.08598	2.7
138.73026	0.2
139.07516	0.5
147.08064	0.8
161.49986	0.2
165.09097	4.1
209.11476	0.5
209.13257	3.8
217.65887	0.3
223.11151	0.5
227.12764	37.7
228.13145	0.3
238.47725	0.2
238.53679	0.2
251.14293	0.6
253.15927	0.3
269.15424	0.4
327.17316	1.1
329.17462	0.4
329.66577	0.2
331.19022	7.4
398.18753	0.3
433.23694	0.5
459.51868	0.2
482.04507	0.3
538.72028	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	37.9
71.59050	54.5
83.70074	32.4
84.55640	29.2
86.09714	100.0
162.95647	35.9
333.89737	36.2
497.20853	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
55.05513	1.1
56.05034	1.4
56.88829	0.5
57.03437	0.9
58.06590	3.8
59.07386	1.0
59.71438	0.5
60.08165	30.2
67.04243	2.2
67.05497	2.3
68.05032	5.2
69.05808	6.3
69.61204	2.5
69.61623	1.4
70.02962	0.6
70.06593	15.8
71.06921	0.9
72.08152	3.8
73.08925	0.6
74.06060	0.8
79.05499	2.8
81.03434	0.6
81.07054	2.1
82.05327	1.6
83.06100	0.8
83.08649	0.9
84.04493	2.4
84.08143	4.8
84.73563	0.5
85.02906	0.6
86.00662	2.1
86.06088	0.6
86.09712	8.5
88.03981	0.8
91.05486	3.8
93.04540	0.7
93.07068	2.1
94.05301	0.8
95.04969	1.2
95.08611	1.3
97.06538	0.6
97.10147	0.6
99.01423	6.5
100.02203	4.3
102.05553	1.6
104.10744	1.2
105.07037	2.3
107.04977	2.3
107.08593	1.3
110.07156	2.2
111.05583	1.0
113.01660	0.9
114.02518	0.9
117.07034	1.4
119.08574	1.5
120.08136	2.7
125.01694	5.6
126.02483	39.1
127.03265	73.1
129.06699	0.6
129.10266	2.0
130.05031	0.6
130.06525	1.0
131.08569	1.8
132.08051	0.6
133.35506	0.5
136.07579	1.4
143.02701	2.9
144.08081	1.4
145.04301	3.1
145.10110	0.7
147.11691	0.7
149.09599	0.7
157.06696	2.5
159.09175	0.7
170.07471	2.4
171.02254	1.4
172.07608	1.4
184.07376	1.8
184.09045	1.9
185.09822	100.0
186.10602	31.2
201.97258	0.6
230.09579	57.1
231.09836	1.1
275.23700	0.5
277.11938	1.0
283.62430	0.6
381.70822	0.6
417.22144	1.5
435.23145	5.3
461.21222	0.6
476.28937	0.7
494.24185	0.9
494.30508	9.6
512.31531	46.3
513.31573	2.2
556.30237	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.8
55.01859	2.6
56.05012	1.9
60.04519	2.0
61.03703	1.6
65.03918	1.9
69.03422	6.7
69.43877	4.9
69.44288	11.2
70.06590	15.8
72.08138	6.2
79.05482	5.1
81.03403	4.8
84.04488	2.6
84.08128	4.6
85.02893	14.8
86.09691	5.2
90.90699	1.5
91.05479	33.4
93.06999	2.3
95.04975	2.5
97.02882	7.5
98.20813	4.4
99.04436	1.8
99.85711	1.8
103.05463	27.3
105.03383	5.4
105.07035	13.8
107.04941	17.4
109.06498	5.8
110.07163	2.9
115.05454	5.1
119.04935	47.8
120.08179	3.8
121.06491	3.8
122.03635	4.9
123.04382	2.3
123.08056	3.1
127.03916	5.3
129.10219	2.8
131.04922	49.9
131.05914	2.6
132.05637	2.3
133.06473	12.1
135.04417	2.0
135.08031	2.5
136.07570	2.5
137.05966	100.0
143.04933	2.2
143.06042	2.3
145.04973	3.1
145.06375	2.1
147.04399	16.3
147.08058	4.1
149.05956	4.0
151.07526	17.8
161.05971	30.4
162.06781	2.8
163.07539	56.2
165.05505	1.9
175.07550	26.6
177.05467	3.2
177.09149	2.1
179.07031	23.7
183.90182	1.8
185.16394	1.7
187.07538	17.8
191.07047	2.0
191.62366	1.6
193.08611	10.0
193.79497	1.6
199.07506	1.8
203.06934	1.9
209.08029	3.3
217.08603	6.5
219.08080	4.3
236.08287	1.8
251.10670	5.5
263.10623	2.0
279.10126	6.7
289.06802	2.1
291.10263	2.7
309.11182	24.1
311.12711	19.6
323.12820	2.1
341.13763	11.1
350.19431	1.9
556.26813	2.4
557.16150	9.4
557.24896	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.0
55.05496	5.1
56.05026	5.8
60.04522	3.9
60.08160	4.6
69.03445	2.2
70.02963	2.6
70.06592	100.0
70.42746	9.6
72.08155	32.0
74.06065	6.5
79.05503	5.7
81.91042	2.1
82.10413	2.5
83.06100	4.7
84.04498	14.8
84.08145	25.6
85.02893	7.9
86.09706	47.9
87.05587	4.5
88.03952	2.4
91.05484	26.2
95.04991	4.6
102.05544	6.8
103.05475	30.6
104.10762	9.1
105.03401	6.4
105.07023	19.2
107.04946	17.5
109.06532	5.4
110.07170	25.7
116.07130	4.1
117.07038	3.0
119.04931	31.2
120.08106	13.1
121.06483	4.5
122.03694	3.5
125.00011	5.4
127.03986	2.7
127.08667	4.0
129.07001	2.4
129.10236	15.3
130.05025	3.1
131.04930	77.4
133.02838	5.1
133.06497	18.3
136.07568	8.3
137.05980	65.1
143.66388	2.5
147.04427	15.7
149.06004	5.0
151.07549	14.6
156.07697	4.7
157.06479	3.3
161.05971	41.7
163.07524	26.3
165.05432	5.0
169.09756	3.3
169.13440	3.0
175.07526	16.6
179.07051	10.8
181.88960	2.5
183.14948	2.9
184.07359	19.6
187.07469	15.4
189.09105	7.9
193.08662	2.8
205.08586	6.4
213.08789	3.0
215.13895	2.7
219.07980	3.3
229.15501	5.2
230.11378	10.2
251.10782	4.2
291.10416	2.5
309.11172	7.7
311.12735	10.5
323.12903	4.5
329.13934	2.4
341.13840	8.2
556.25476	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.0
55.05496	5.1
56.05026	5.8
60.04522	3.9
60.08160	4.6
69.03445	2.2
70.02963	2.6
70.06592	100.0
70.42746	9.6
72.08155	32.0
74.06065	6.5
79.05503	5.7
81.91042	2.1
82.10413	2.5
83.06100	4.7
84.04498	14.8
84.08145	25.6
85.02893	7.9
86.09706	47.9
87.05587	4.5
88.03952	2.4
91.05484	26.2
95.04991	4.6
102.05544	6.8
103.05475	30.6
104.10762	9.1
105.03401	6.4
105.07023	19.2
107.04946	17.5
109.06532	5.4
110.07170	25.7
116.07130	4.1
117.07038	3.0
119.04931	31.2
120.08106	13.1
121.06483	4.5
122.03694	3.5
125.00011	5.4
127.03986	2.7
127.08667	4.0
129.07001	2.4
129.10236	15.3
130.05025	3.1
131.04930	77.4
133.02838	5.1
133.06497	18.3
136.07568	8.3
137.05980	65.1
143.66388	2.5
147.04427	15.7
149.06004	5.0
151.07549	14.6
156.07697	4.7
157.06479	3.3
161.05971	41.7
163.07524	26.3
165.05432	5.0
169.09756	3.3
169.13440	3.0
175.07526	16.6
179.07051	10.8
181.88960	2.5
183.14948	2.9
184.07359	19.6
187.07469	15.4
189.09105	7.9
193.08662	2.8
205.08586	6.4
213.08789	3.0
215.13895	2.7
219.07980	3.3
229.15501	5.2
230.11378	10.2
251.10782	4.2
291.10416	2.5
309.11172	7.7
311.12735	10.5
323.12903	4.5
329.13934	2.4
341.13840	8.2
556.25476	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.4
56.05039	1.5
56.96561	1.9
60.04470	1.6
61.02924	1.7
64.30750	1.5
65.03926	1.6
67.05488	4.4
68.05008	1.7
69.03413	2.2
69.07063	4.7
70.06585	24.1
71.60169	1.6
71.60544	2.4
72.08144	6.2
73.02904	1.6
76.02211	3.5
79.05473	7.0
79.46387	1.3
80.04980	2.6
81.03408	5.1
81.07044	3.0
82.06564	2.6
83.08612	1.5
84.04485	3.7
84.08147	7.0
85.02905	4.3
85.06554	1.9
86.09703	9.0
87.04461	2.3
89.06030	4.7
91.05450	8.6
93.05763	2.4
93.07032	11.3
94.06564	9.8
95.04967	4.4
95.06102	2.1
95.07354	12.6
95.08595	4.1
96.08121	28.3
97.02866	1.9
97.06531	5.1
97.10158	1.5
103.05466	2.1
105.07023	2.8
107.04947	28.2
107.08571	1.4
108.05288	3.6
108.08099	21.6
108.36534	1.5
110.07156	3.0
110.09671	47.0
114.09155	2.5
116.04981	2.8
119.08575	2.1
120.04474	1.6
120.08105	36.0
121.02879	3.9
121.06506	3.3
121.08451	1.8
122.06045	4.0
123.06799	2.5
123.24635	1.5
124.07565	9.8
127.03937	1.9
129.10213	2.8
130.52916	1.5
131.08519	1.5
134.99619	1.6
136.07581	19.9
137.05988	2.1
138.05511	3.4
138.08305	1.3
138.09131	56.6
144.04436	6.0
146.06001	5.0
148.07571	11.3
152.07097	4.5
162.05495	4.2
164.07050	20.6
165.07440	7.7
166.08627	100.0
172.03944	24.9
179.04848	1.8
190.04956	12.6
198.07629	2.4
204.06560	26.7
210.14923	1.7
211.08687	2.2
213.10265	1.8
223.08661	3.6
225.10179	4.3
227.08144	4.0
237.10191	12.2
239.08194	8.7
239.11752	2.2
241.09621	3.7
243.11337	2.4
247.08946	1.7
251.08151	9.2
252.08882	2.9
253.09679	16.3
255.11258	6.0
264.08951	2.7
265.09683	29.9
266.10458	3.4
267.07742	6.3
267.11121	7.8
267.15854	2.4
269.09152	3.5
279.07614	7.6
279.10797	2.2
280.08472	1.6
281.09195	18.8
283.10657	12.9
285.12149	2.6
287.10248	2.9
293.09161	20.2
295.10825	17.2
297.08859	2.2
297.12390	4.9
299.10284	8.1
309.08740	3.9
311.10321	17.6
313.11765	3.4
315.13562	4.4
321.08673	17.8
325.11826	15.9
327.09750	17.0
327.13397	3.3
339.09668	25.5
341.11340	10.4
341.23364	3.1
343.12894	7.8
353.11334	15.3
357.14569	2.9
359.12292	39.8
359.24344	5.6
371.12317	18.9
372.13129	2.1
388.16769	2.4
400.16891	1.8
418.17383	5.7
424.36273	1.9
436.18506	2.5
446.17102	10.3
448.18344	3.2
464.18130	31.6
474.16556	10.2
480.21085	4.5
489.16461	2.5
492.17621	64.6
493.17920	3.1
499.59839	1.7
506.19116	21.7
510.18375	1.7
524.20233	29.2
538.21783	3.2
538.33514	5.2
539.19409	1.6
556.34509	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	556.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.0
56.05015	2.6
56.96553	2.8
61.02896	2.3
62.06065	2.2
67.05496	7.5
69.03417	2.9
69.07043	2.7
70.06590	19.3
70.38835	7.7
71.04982	2.3
72.08136	5.4
79.05479	9.7
80.05009	3.5
81.03421	9.2
81.07047	4.9
82.06573	2.3
84.04509	3.5
84.08125	7.5
85.02887	7.1
86.09698	6.1
87.04436	1.9
91.05469	8.7
93.07037	14.0
94.06569	11.1
95.04948	6.5
95.06069	2.3
95.07336	8.6
95.08589	5.8
96.08113	25.4
97.02868	2.5
97.06528	5.0
98.06037	2.6
98.21458	2.1
98.97579	2.2
105.06961	2.8
107.04949	22.6
108.08115	26.2
109.08877	2.6
110.07185	3.0
110.09673	50.8
116.01676	4.3
119.08572	2.5
120.08089	35.4
121.02851	2.3
121.06492	4.0
122.06026	3.0
124.07584	3.6
127.03943	2.3
136.07573	15.6
138.09131	58.9
146.05986	5.8
147.04401	2.8
148.07558	8.5
149.09607	3.1
152.07042	2.2
154.08548	2.3
162.02238	2.8
164.07077	11.0
164.11539	2.5
165.07401	3.4
166.08627	100.0
172.04051	2.8
204.06430	4.0
210.14836	2.4
213.10243	4.3
223.08681	2.6
225.10231	6.2
227.08167	3.6
237.10172	15.4
239.08212	6.2
239.11736	4.2
241.09732	5.6
251.08151	4.4
253.09720	18.1
255.11290	6.1
265.09729	31.8
267.07751	3.7
267.11279	7.2
267.16031	3.3
281.09177	19.0
283.10788	16.2
287.10260	2.6
293.09180	19.7
295.10754	23.2
297.08670	2.6
297.12262	2.4
299.05716	2.8
299.10257	6.5
300.05872	5.0
309.08829	3.6
311.10217	21.9
315.04953	2.8
321.08710	9.6
325.12085	2.7
327.09802	20.2
339.09714	28.9
339.13394	2.9
341.11288	3.8
353.11163	3.1
359.12326	37.4
371.12497	21.8
372.12891	2.9
388.16278	2.8
394.09937	7.4
410.09464	4.5
418.17670	5.4
419.74597	2.5
430.17883	2.5
430.23581	2.1
436.18698	3.3
446.17328	13.0
448.18930	4.1
464.18118	40.1
474.16360	5.5
492.17651	81.4
506.19110	9.0
524.20404	22.0
524.32135	5.0
538.33685	7.2
556.22388	2.6
556.34338	4.5
568.39893	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.6
55.01844	1.7
55.05515	10.3
57.07078	20.5
61.02923	2.0
67.05501	10.3
69.03430	4.9
69.07066	93.6
70.03753	1.8
70.04065	9.6
70.06596	2.6
70.07835	4.1
71.05006	2.9
71.60075	2.4
73.02911	1.9
79.05484	7.7
80.15504	1.5
81.03410	4.8
81.07053	12.1
82.07380	1.6
83.04980	16.5
83.08613	2.2
85.02902	8.2
86.09754	2.2
87.00805	1.7
91.05450	9.5
93.07055	7.0
95.04964	4.4
95.08623	7.6
96.08958	1.7
97.02898	3.5
97.06532	3.6
99.00003	2.6
105.07050	5.7
107.04958	6.2
107.08604	7.3
109.10165	5.4
110.07127	1.9
110.10453	2.2
113.01558	1.7
114.03029	6.5
114.49858	1.6
115.07568	15.0
116.75946	1.6
117.06982	2.7
119.08576	4.6
121.06513	6.1
121.10158	3.0
122.06985	1.7
123.11680	1.8
124.08704	9.9
126.99493	9.3
127.03915	2.5
127.11223	1.8
129.01027	11.9
131.08572	2.8
133.10175	2.6
135.11681	2.9
141.01009	16.6
152.08180	100.0
155.02551	7.8
159.08194	2.0
159.11765	3.3
161.09633	2.4
166.79959	2.5
171.11624	2.0
175.14909	2.1
197.07281	42.8
203.18039	2.6
225.06671	2.3
236.13760	1.9
266.14978	52.0
364.14169	27.7
394.15265	68.8
556.20410	2.2
556.32196	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.7
51.40494	1.2
53.03949	8.0
53.04159	1.5
55.01869	16.3
55.05508	34.2
57.03429	6.3
57.04078	1.3
57.07059	4.3
60.95044	1.2
65.03932	5.0
67.05501	84.1
69.03430	3.1
69.07063	34.8
70.23503	1.4
71.04984	4.5
73.02881	1.7
77.48568	1.2
79.05489	100.0
81.03405	10.7
81.07052	76.4
83.04977	17.8
83.08616	16.4
84.63734	1.4
85.02879	1.6
85.06544	3.9
86.84377	1.1
89.48861	1.3
91.05476	89.9
93.07037	72.4
95.01316	3.1
95.04963	26.9
95.08601	47.1
97.06521	25.4
97.10146	10.0
99.08096	2.0
103.04859	1.2
103.05475	5.2
105.04546	3.3
105.07024	83.2
107.04949	19.6
107.08585	46.9
109.06512	15.8
109.10144	16.4
111.08089	4.0
113.06008	1.2
115.05464	3.9
116.06213	2.1
117.07006	28.9
119.08573	48.9
121.06493	7.2
121.10143	14.8
123.08043	7.0
123.11655	2.2
125.09643	5.3
127.07561	2.0
128.06187	7.3
129.06985	21.5
130.07800	4.1
131.08559	36.7
131.09508	2.4
131.50826	1.6
133.06491	3.7
133.10121	35.7
135.08072	6.0
135.11665	11.5
137.09631	4.5
141.06995	5.6
142.07790	2.4
143.08560	20.8
145.06483	4.5
145.10114	42.3
147.08067	5.5
147.11687	37.9
147.12891	2.0
149.09599	17.0
149.13240	5.0
151.11185	2.7
154.07800	1.4
155.08562	8.9
156.09244	1.7
157.10109	8.4
159.08067	3.9
159.11665	20.5
161.09625	4.7
161.13231	15.6
163.11154	13.9
163.14807	1.6
167.08630	2.5
169.10118	10.6
171.11667	26.9
173.09641	2.6
173.11873	2.0
173.13261	12.5
175.11194	2.5
177.12834	3.7
179.14323	9.1
181.10129	5.4
182.10909	1.7
183.11687	10.5
185.13332	4.5
187.11206	4.0
187.14882	2.3
189.11293	2.8
189.12784	8.3
191.14320	2.2
195.11725	4.1
196.43349	1.4
197.13275	7.6
199.14931	1.6
201.12727	3.0
207.11841	2.9
207.13821	14.2
209.13269	3.1
211.14914	2.9
215.17969	2.0
219.11809	1.7
219.13728	1.8
219.17311	1.5
225.14818	2.5
227.12762	1.7
229.19514	5.9
229.71895	1.6
239.17940	8.5
247.20673	2.8
257.18997	34.4
259.20667	1.9
275.20044	84.6
279.15793	1.6
281.17395	10.0
293.21033	6.8
295.20621	1.6
309.21826	1.7
311.20251	1.9
311.23755	2.0
313.21448	2.2
331.22754	5.7
349.23950	2.7
445.30896	2.8
463.32211	5.1
481.33130	3.8
509.92346	1.5
537.35767	14.6
555.36755	87.7
556.37244	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	555.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57655	3.7
53.03930	5.3
55.01857	9.2
55.05304	3.1
55.05509	34.9
57.03418	6.4
57.07073	21.9
59.04980	5.6
59.52703	2.8
59.91238	3.8
61.02926	4.0
65.03920	4.4
67.05495	37.1
69.03432	21.2
69.07059	100.0
70.04044	10.2
70.06579	8.4
70.99990	9.5
71.04977	13.4
73.02869	6.3
79.05488	41.1
79.41543	3.9
81.03387	21.8
81.06571	5.5
81.07050	92.0
82.07399	3.5
83.04948	15.2
83.08617	21.2
84.08112	3.4
85.02890	37.5
85.06522	4.1
86.09695	5.1
87.00803	12.0
91.03904	3.4
91.05472	45.5
93.07047	66.8
95.04960	15.0
95.08598	56.9
97.02880	13.2
97.06532	11.3
97.10143	9.7
99.08128	4.4
101.02368	3.8
105.01847	13.5
105.07024	48.2
107.04964	21.9
107.08587	53.0
109.02840	10.5
109.06493	9.3
109.09451	5.0
109.10146	56.9
111.08026	5.8
111.11684	12.2
115.03915	3.6
115.05431	4.4
115.07558	7.2
117.06994	14.8
119.08572	54.5
121.06470	9.5
121.10129	42.2
123.08028	9.0
123.11698	23.4
125.05959	4.2
125.09642	9.7
127.03902	16.4
127.11182	19.7
128.06203	4.4
129.07001	10.1
131.08510	17.8
133.06390	4.9
133.10106	22.2
135.08011	7.5
135.11656	36.0
137.05916	4.1
137.13196	17.9
139.11127	9.5
141.01018	8.6
143.08511	11.0
143.10530	3.8
145.06461	6.9
145.10101	22.4
147.08034	7.3
147.11688	27.4
149.09596	7.9
149.13232	30.8
151.11011	4.8
152.08186	55.0
153.12714	6.5
155.08615	3.9
157.06459	3.3
157.10121	9.0
159.02898	8.3
159.08014	8.2
159.11732	17.1
161.09653	4.6
161.13243	15.6
163.11246	6.7
163.14828	9.6
165.12735	4.2
169.10052	7.5
171.11623	7.7
173.09583	6.2
173.13196	9.2
175.14819	10.0
177.16264	3.8
181.10008	3.4
183.11687	5.0
187.14799	11.0
189.16385	6.2
191.17964	3.8
197.07230	23.4
201.16301	8.2
203.17944	20.5
213.16405	4.3
215.17958	9.4
227.12679	5.3
266.14999	28.0
271.16718	3.9
271.24130	16.3
275.20035	6.7
289.25195	21.0
298.14108	3.8
307.26205	4.5
364.14075	11.6
394.15182	33.8
397.27545	5.7
406.33469	3.6
501.28641	4.5
537.31500	6.5
555.32324	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	555.316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	13.2
55.01855	11.1
55.05509	26.5
57.03422	11.2
57.07063	5.5
61.02907	8.6
65.03940	4.7
67.05499	47.0
67.98063	3.6
69.03422	44.5
69.06778	2.7
69.07069	32.1
71.04986	19.3
71.24133	3.2
71.59867	5.7
73.02902	6.7
73.33523	3.2
79.05492	38.9
81.03408	34.5
81.07050	100.0
83.04955	5.3
83.08620	20.7
85.02422	6.3
85.02900	80.5
85.06520	3.3
85.10167	3.3
87.00822	29.9
91.03960	3.2
91.05466	34.7
93.07030	46.5
95.04948	13.0
95.08597	69.9
95.09161	6.7
97.02885	32.6
97.06525	16.0
97.10150	12.2
98.73257	3.1
99.04461	15.2
99.08050	5.3
105.01841	31.3
105.07028	44.4
107.04932	15.2
107.08590	57.4
109.02878	30.1
109.06504	10.9
109.10146	56.9
111.08047	6.0
111.11707	3.5
115.03904	7.1
117.01824	4.2
117.06990	10.0
119.08568	42.2
121.06528	5.6
121.10138	35.0
123.08037	9.5
123.11676	29.7
125.09624	11.6
127.03907	46.1
127.11179	38.3
129.07025	4.5
131.08533	13.4
133.10107	26.7
135.11678	23.1
137.09584	9.9
137.13269	6.9
141.07034	3.6
142.07875	2.9
143.08563	9.9
143.10629	4.0
145.04984	12.1
145.06378	3.3
145.10101	22.1
147.07997	4.1
147.11673	25.4
149.09573	3.0
149.13242	28.3
151.11110	3.1
151.14743	5.1
157.10114	10.9
159.02885	15.2
159.08081	3.4
159.11636	18.1
161.13232	22.7
163.11203	4.4
163.14819	19.4
165.12804	5.5
169.10103	5.4
171.11658	5.9
173.13258	11.4
175.14810	11.4
177.16379	9.4
179.14180	3.5
185.13274	3.8
187.14827	12.3
189.12750	3.2
189.16338	10.0
191.17935	13.6
192.93759	3.9
193.15901	3.5
194.93428	7.4
199.14774	4.4
199.38478	3.3
201.16417	9.7
203.17926	36.2
215.17955	9.9
217.19528	9.3
219.04811	4.6
221.18938	11.9
229.19460	4.5
231.04974	7.3
241.19347	3.8
257.18921	4.7
271.24106	22.3
273.25687	5.6
275.20044	13.2
289.25256	69.8
313.16553	4.1
331.17654	6.0
379.26291	3.5
397.27271	4.3
555.04724	4.1
555.30951	9.6
555.37408	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	555.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48195	0.3
51.87768	0.3
52.84695	0.3
53.71734	0.3
55.05503	0.3
56.05026	0.5
56.96566	0.5
60.67557	0.3
61.02925	0.7
61.67935	0.3
67.05495	0.5
67.30624	0.3
67.70062	0.3
69.03426	0.6
69.07085	0.3
70.06586	5.0
71.59446	0.5
72.08152	1.0
73.02914	0.4
74.06078	0.3
79.05491	0.9
81.03414	3.3
81.07063	0.9
82.03759	0.8
83.08602	1.1
84.04493	0.7
84.08128	1.6
85.02884	0.9
86.09698	1.1
90.05557	1.3
91.05467	1.1
93.07058	0.6
95.04983	1.2
97.02896	0.5
97.06577	0.4
101.07197	0.4
105.07044	0.4
107.04945	4.4
108.05273	0.9
110.07154	0.6
110.35769	0.3
111.05537	0.4
112.08727	0.4
118.00436	0.3
119.04941	0.8
119.08564	0.4
120.04464	0.6
120.08118	0.8
121.10059	0.3
123.04383	0.4
126.06659	0.8
127.03930	0.5
127.04933	0.3
129.10254	1.0
132.04460	1.2
132.95811	0.4
133.04828	0.8
134.06044	0.7
140.64745	0.3
147.04407	1.9
147.11740	0.3
149.09631	0.4
151.06157	0.7
155.11703	0.4
157.10144	0.3
158.10515	0.4
168.08795	0.4
176.11647	0.4
177.05670	0.4
181.61671	0.3
193.12242	2.9
194.12599	2.0
201.95264	0.4
202.09885	0.8
210.14952	1.3
211.13431	0.4
211.15355	1.1
228.15959	0.3
229.16124	0.4
230.09358	0.6
231.09752	0.5
234.99130	1.4
259.11896	3.4
260.12201	3.5
267.16107	0.7
268.16406	1.6
285.16827	2.3
286.17273	2.8
302.12460	0.9
303.12524	1.6
303.19806	0.4
330.19370	0.5
349.20676	0.8
363.01761	0.6
374.21356	0.6
375.22028	1.0
381.02908	1.2
390.99759	0.4
393.20947	11.7
406.17380	0.5
407.17664	0.9
408.18265	0.7
448.19836	0.4
449.19711	2.0
537.27295	1.4
555.26184	100.0
556.26691	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
55.01872	0.8
55.05492	0.3
57.03429	0.7
57.99413	0.1
59.04984	0.2
61.02924	1.3
61.84375	0.1
62.12675	0.1
65.03922	0.3
66.03910	0.1
67.05482	0.2
68.99809	0.2
69.03069	0.2
69.03423	3.3
69.77662	0.7
69.78075	0.2
70.06575	0.4
71.04965	0.5
73.02887	0.5
79.05475	0.3
81.03406	1.7
81.07026	0.2
83.01336	0.2
83.08562	0.2
84.08133	0.1
85.02897	7.7
86.05020	0.2
86.09692	0.5
87.04454	0.4
89.06009	0.1
91.03965	0.3
91.05431	0.2
93.07019	0.2
95.04942	0.2
95.06079	0.1
97.02879	3.1
99.04439	0.4
105.03377	0.4
105.07004	0.2
107.04958	1.6
107.05633	0.3
108.05240	0.1
109.02864	0.8
111.04465	0.2
119.04900	0.1
119.08586	0.2
120.08073	0.3
121.01984	0.4
121.02852	6.4
123.00816	0.2
127.03895	1.4
130.06526	0.1
131.25581	0.1
133.06473	0.3
135.04437	0.3
135.14967	0.1
137.02347	0.4
141.01814	3.1
145.04953	0.9
145.06059	0.1
147.04411	1.1
151.03889	0.2
157.06447	0.2
159.08070	0.2
165.01817	1.7
169.06480	0.5
171.04395	0.2
183.02892	2.3
183.04507	0.3
187.07571	0.2
197.05939	1.0
199.07790	0.2
201.05457	0.7
215.07007	0.5
225.05453	1.1
243.06519	1.5
271.05957	0.7
287.05475	1.8
299.05466	100.0
300.05768	0.9
344.11542	0.2
393.09644	14.4
546.83691	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.5
55.01878	1.0
55.05457	0.2
56.96519	0.3
57.03401	0.7
58.90909	0.2
59.20038	0.2
61.02922	1.6
65.03939	0.2
69.03423	3.7
70.06560	1.1
70.06986	1.0
71.04966	0.5
72.08150	0.2
73.02900	0.5
75.96969	0.2
81.03413	1.8
81.07053	0.3
83.01314	0.4
84.04465	0.3
84.08118	0.3
85.02898	9.5
86.09667	0.6
87.04427	0.5
91.03933	0.6
91.05434	0.4
93.03344	0.3
97.02882	3.4
98.97540	0.2
99.04401	0.5
105.06999	0.2
107.01325	1.2
107.04939	2.0
109.02871	0.9
109.48669	0.2
120.08070	0.5
121.02860	9.1
121.06422	0.4
127.03898	1.5
133.06436	0.3
137.02325	0.2
144.78038	0.2
145.04944	1.3
145.06526	0.9
145.07452	0.2
147.04431	0.9
149.02325	0.3
157.06471	0.6
164.07062	1.2
165.01796	1.1
169.06493	0.5
171.04402	0.3
173.05966	4.1
183.02859	1.4
183.04327	0.4
197.05984	1.2
201.05443	1.5
225.05464	0.6
225.31624	0.2
229.04945	6.1
243.06497	1.0
253.04938	0.6
257.04532	0.3
271.06012	0.6
287.05463	0.7
299.05472	73.3
300.05804	0.8
311.05380	0.3
341.06381	0.2
393.09641	100.0
394.10013	1.6
403.82303	0.2
405.09549	0.3
435.10797	0.2
551.87811	0.2
555.29626	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1494
Annotation	cudranian 1
Peak:m/z	Relative Intensity
53.03921	0.7
55.01848	0.9
56.96545	0.3
57.03405	0.9
58.06610	0.2
61.02917	1.6
69.03426	3.2
69.47324	2.0
70.06577	2.2
71.04964	0.6
72.08113	0.7
73.02888	0.4
77.75735	0.2
79.05440	0.3
81.03412	2.1
81.07024	0.4
83.01325	0.4
84.04507	0.3
84.08147	1.2
85.02898	9.0
86.09668	0.9
87.04446	0.6
87.05574	0.3
90.69867	0.2
91.03910	0.7
91.05453	0.4
93.07021	0.4
96.50161	0.2
97.02879	3.4
97.06526	0.2
98.06053	0.2
99.04417	0.7
100.89147	0.2
107.01324	1.2
107.04949	2.7
109.02866	1.3
110.07159	0.3
111.04458	0.4
120.08080	0.6
121.01981	0.5
121.02852	7.9
123.04418	0.2
127.03911	2.0
129.06929	0.3
129.10214	0.3
130.06467	0.3
131.04919	0.4
131.08594	0.2
133.06464	0.4
137.05956	0.3
145.04970	1.3
145.06447	0.5
147.04372	0.7
149.02353	0.3
157.06381	0.4
161.05969	0.3
165.01808	0.9
168.06288	0.2
169.06496	0.4
171.04474	0.2
173.05971	4.1
175.08806	0.3
183.02870	1.1
183.04340	0.4
189.05547	0.3
197.06006	1.2
201.05469	1.4
207.80981	0.2
225.05354	0.6
229.04959	6.7
229.07245	0.4
243.06528	1.0
251.08514	0.3
253.05058	0.4
257.04449	0.2
265.12790	0.2
271.05942	0.7
287.05594	0.4
293.08261	0.2
299.05475	67.0
299.64249	0.2
300.05817	0.5
311.05414	1.0
315.04913	0.5
337.07013	0.3
341.06369	0.7
393.09637	100.0
394.10071	1.3
405.09756	0.3
435.10788	0.3
445.40167	0.2
459.10782	0.3
490.83020	0.2
519.12781	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1495
Annotation	cudranian 1
Peak:m/z	Relative Intensity
53.03924	0.6
55.01854	1.0
55.82779	0.3
57.03422	0.6
61.02914	1.3
69.03086	0.3
69.03423	3.8
70.06564	0.4
70.71964	0.7
71.04961	0.4
73.02905	0.7
74.49310	0.2
81.03416	1.8
85.02900	9.5
85.31474	0.3
87.04472	0.4
91.03914	0.5
97.02889	3.7
99.04425	0.4
107.01283	1.2
107.04937	1.1
109.02847	1.0
111.04432	0.4
117.06985	0.3
121.02859	8.8
125.25986	0.2
125.62605	0.2
127.03896	1.9
130.06444	0.3
130.57666	0.3
133.06447	0.5
145.04958	1.3
145.06421	0.7
147.04379	0.8
149.02313	0.3
165.01787	1.1
169.06444	0.4
171.04401	0.3
173.05980	4.5
183.02850	0.9
183.04330	0.3
197.05914	1.1
201.05484	1.2
215.07053	0.4
225.05646	0.5
229.04932	6.3
243.06543	1.0
253.04861	0.4
271.05951	0.5
287.05496	0.3
299.05475	72.1
300.05795	0.6
312.91824	0.3
341.06674	0.3
393.09641	100.0
394.10034	1.5
435.10901	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08187	0.1
53.03925	0.5
55.01865	1.1
57.03426	0.8
61.02646	0.1
61.02918	1.6
65.03909	0.3
68.99784	0.1
69.03419	3.4
69.13247	0.1
69.35036	0.3
69.35440	0.9
70.06551	0.2
71.04968	0.6
73.02885	0.4
74.70723	0.1
81.03407	1.7
83.01347	0.2
85.02894	9.9
87.04420	0.3
91.03927	0.5
93.03416	0.2
97.02279	0.2
97.02875	3.2
98.20767	0.2
99.04435	0.6
105.03352	0.3
105.07006	0.2
107.01292	1.8
107.04956	0.8
109.02872	0.9
111.04414	0.2
117.06964	0.2
121.02851	9.1
127.03888	1.7
131.04874	0.1
133.02811	0.2
133.06415	0.3
135.04384	0.2
137.02353	0.2
141.01791	0.3
141.06979	0.2
145.04932	1.2
145.06448	0.6
147.04366	0.9
149.02246	0.3
155.04883	0.2
157.06470	0.4
161.05943	0.3
165.01817	1.5
169.06425	0.5
171.04395	0.4
173.05968	4.9
183.02866	1.3
183.04430	0.3
192.63292	0.1
197.05959	1.1
199.03827	0.3
201.05479	1.2
215.06844	0.2
225.05563	0.7
229.04935	7.5
230.05287	0.1
243.06558	1.1
253.04999	0.6
257.04349	0.3
271.03464	0.2
271.05887	0.7
287.05487	0.6
299.05457	78.5
300.05814	1.1
311.05490	0.4
331.12579	0.2
341.06482	0.2
393.09610	100.0
394.09988	1.9
435.10654	0.2
523.21783	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.3
55.01857	2.3
55.05494	5.5
56.05024	6.8
57.03425	7.5
61.02925	9.3
66.23800	2.1
67.05499	11.9
69.03414	4.5
69.07040	4.7
69.30975	8.1
69.31403	11.8
70.06584	20.8
71.04993	3.2
72.08156	4.2
73.02914	4.2
79.05481	13.8
80.05013	3.5
81.03412	79.8
81.07072	11.4
81.07491	3.0
83.04968	4.4
83.08617	22.9
84.04491	5.3
84.08134	4.9
85.02905	13.6
86.06049	2.1
86.09694	5.9
88.04024	2.3
90.05540	24.6
91.03936	3.5
91.05474	16.9
93.07041	9.9
95.04964	25.9
95.08603	5.9
97.02875	10.3
98.06055	3.7
105.07008	8.5
106.06544	1.9
107.04947	43.0
107.08606	4.6
109.06504	2.4
109.10169	2.7
111.05551	6.5
111.08080	11.2
115.05453	2.4
116.68336	1.9
119.04951	3.5
119.08556	10.0
120.04463	13.1
120.08088	3.0
121.10149	7.8
122.02731	2.2
123.08073	2.1
124.03949	3.6
125.09675	2.1
126.06653	10.1
129.06998	6.6
129.10246	2.8
131.08562	6.2
132.04456	28.1
133.06471	2.4
133.10112	3.5
134.05977	6.4
147.04358	11.5
147.07996	3.2
147.11693	8.3
149.09581	9.3
151.06163	6.2
152.07008	2.2
153.24156	1.9
157.10127	10.0
164.14349	2.9
165.12714	2.0
168.08781	6.7
175.11156	12.3
187.53372	2.0
192.13846	4.4
193.12233	76.4
202.09718	17.3
210.14850	39.6
211.13266	9.5
213.12215	1.9
216.11258	4.7
217.12521	1.9
228.15968	8.8
229.11884	3.3
230.09215	10.1
232.10826	6.8
234.99028	3.1
235.13120	3.5
236.16444	5.3
238.14276	2.1
242.09314	4.0
254.17491	5.2
257.10379	4.0
259.11877	100.0
267.15906	44.9
277.12994	2.4
284.11450	6.3
284.18808	2.7
285.16937	96.0
286.17413	2.6
301.14154	6.6
302.12433	47.5
302.19650	9.6
309.17053	7.6
312.18082	5.5
319.15018	2.7
328.21408	2.5
330.19083	13.6
348.20102	11.5
356.20773	3.1
357.37466	1.9
365.16074	3.2
374.21722	33.8
406.17297	15.0
407.18045	6.3
408.16736	4.2
419.75204	1.9
448.19281	31.9
536.27332	20.7
554.23517	96.7
555.26398	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	554.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.6
56.05018	1.1
57.05785	0.6
57.43541	0.6
60.05617	1.5
69.58083	0.7
69.58491	3.5
70.06554	2.0
72.08146	0.6
80.74397	0.5
83.06063	1.9
86.06004	0.8
95.04930	2.0
95.06061	0.6
97.07586	0.6
105.03355	2.2
105.05745	0.9
106.06526	0.8
107.04949	24.8
111.04813	0.6
111.05558	7.1
113.07098	1.2
120.04461	14.2
123.05513	1.3
126.05750	0.9
126.06625	10.6
127.07346	1.1
132.04443	27.7
132.08022	0.5
134.06003	8.9
137.04643	1.9
140.08183	1.3
140.09221	0.8
145.03970	0.6
146.02310	0.8
147.04382	0.8
150.05486	0.7
151.06143	8.8
158.06064	0.6
162.06665	1.0
164.38573	0.5
168.08778	4.1
169.09608	0.8
170.05577	0.7
185.06998	0.8
187.07303	0.7
202.07947	1.1
202.09738	17.6
215.08012	0.6
216.11295	3.8
230.09232	12.4
231.12392	1.8
232.10812	5.7
242.09233	4.3
255.08835	0.6
257.10352	5.6
259.11884	99.7
277.12924	2.2
279.09641	1.9
284.11365	6.4
300.82544	0.6
301.14087	4.2
302.12445	42.6
319.15070	1.4
354.38513	0.6
365.16083	1.7
406.17163	14.1
407.18179	4.9
408.16461	3.4
413.16068	0.5
425.19498	1.5
431.16913	1.0
448.19370	32.2
462.97363	0.6
480.60910	0.6
554.23535	100.0
555.24084	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
53.10739	0.4
55.05486	0.6
61.02912	0.6
64.95090	0.4
65.03932	1.3
67.05483	0.7
69.03422	3.6
69.07040	0.6
70.06241	0.6
70.06577	2.9
70.26910	0.4
71.06903	0.5
79.05480	1.0
81.03410	5.4
81.07069	0.7
84.04517	0.7
84.08135	0.8
85.02894	4.6
86.09686	1.7
89.93616	0.4
91.05453	0.7
93.07031	0.6
95.04959	4.7
95.06068	0.6
97.02889	5.2
98.59200	0.4
99.04457	0.6
101.59832	0.5
107.04945	26.1
108.05231	0.7
109.02851	2.9
110.07188	0.6
111.04418	1.8
120.08044	0.8
121.02856	100.0
127.03892	2.5
129.10201	0.5
132.38416	0.4
136.07530	0.7
139.03888	18.8
145.04987	1.4
150.05478	0.5
175.07591	0.5
215.07047	1.4
229.73228	0.5
231.22327	0.5
264.08521	0.5
265.07083	10.0
283.08090	30.8
299.05560	0.8
336.10538	0.5
554.32629	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24344	3.2
55.05508	35.2
57.06865	2.8
57.07071	32.6
58.01045	3.1
60.04524	5.2
61.38508	3.4
61.38966	3.2
67.05490	9.8
69.07053	13.6
70.04070	100.0
70.06578	3.4
71.08627	6.6
77.21359	3.2
79.05486	8.1
81.07035	14.6
83.04970	57.3
83.08593	7.2
87.04499	4.5
89.06010	8.6
91.05473	5.3
93.07034	3.6
95.04966	3.6
95.08592	8.6
98.11096	3.3
105.07029	15.1
107.08524	5.7
111.40963	3.5
113.01564	3.6
121.10094	5.2
135.11592	4.3
141.00995	57.5
141.45702	3.7
143.00694	29.2
143.08502	6.2
147.01793	3.6
155.00676	4.0
160.05460	3.6
160.95476	3.6
165.00975	4.7
172.08794	4.2
179.02583	12.2
179.06139	3.9
181.02274	4.2
182.10645	3.6
207.05704	67.0
209.05440	30.7
217.01704	4.1
219.01556	10.7
221.07277	8.9
223.05023	4.0
223.07008	4.1
235.05176	7.8
264.27045	4.8
321.12485	7.3
350.79367	4.1
371.01614	5.7
536.50378	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	553.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	17.8
55.01868	13.5
55.05514	11.1
57.03426	9.2
57.07064	7.8
61.02913	12.1
65.03924	3.1
67.05505	17.6
68.99782	4.5
69.03429	49.7
69.07064	29.1
70.06583	11.9
70.50189	6.1
70.50587	6.4
71.04987	27.6
73.02911	12.7
79.05487	26.5
81.03416	59.8
81.07054	80.4
83.08626	12.4
84.08135	3.5
85.02900	100.0
86.09716	4.9
87.00835	37.5
89.06033	4.1
91.03956	5.7
91.05474	26.3
93.07036	45.9
95.04983	8.6
95.08607	34.9
97.02880	32.1
97.06524	9.8
99.04461	18.7
101.02382	3.6
105.01846	34.0
105.07021	51.7
107.04960	20.7
107.08584	43.2
109.02879	49.3
109.06556	7.2
109.10133	22.6
110.25409	3.0
111.04443	3.4
111.11768	3.2
117.07024	4.0
119.08562	48.6
121.06500	5.2
121.10119	28.9
121.10804	2.8
123.08021	4.0
123.11677	8.1
125.00037	5.4
125.09605	6.7
127.03913	72.0
127.11201	30.9
129.01869	5.0
129.06963	3.6
130.07817	4.1
131.08577	14.2
133.10130	32.7
135.11696	23.3
143.08548	9.2
143.10652	3.8
145.04964	18.5
145.10121	28.5
147.11679	61.6
149.13318	6.1
153.12762	15.2
157.10182	16.2
159.02873	22.7
159.11703	28.5
161.13234	17.4
163.14862	7.3
171.11679	11.9
173.13258	14.1
175.14803	9.2
181.10262	3.1
183.11734	4.5
184.07297	17.4
185.13280	9.1
187.14758	6.1
189.16345	7.3
193.12360	3.3
193.15910	4.3
195.99567	3.2
197.07314	6.9
199.14825	11.0
201.16371	39.0
203.18013	7.1
213.16425	10.1
215.18008	14.5
225.16341	3.8
231.05017	15.2
269.22614	15.7
287.23715	37.1
303.17999	3.4
305.24939	4.2
329.24860	5.5
476.65509	3.3
484.16208	9.7
553.29889	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2978
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
55.05502	0.6
57.03426	0.7
67.05492	2.0
69.03434	0.4
69.07040	1.0
69.52558	3.5
70.06579	0.8
79.05483	1.3
81.03419	0.8
81.07040	1.6
83.01112	0.9
83.08570	0.5
85.09501	0.4
89.06012	0.4
91.05466	1.8
93.07028	1.0
95.01077	0.7
95.01971	0.4
95.04981	0.5
95.08574	0.8
105.07014	0.7
107.04970	0.8
107.08551	0.8
109.10158	1.1
119.08635	0.6
121.06546	0.6
123.55190	0.4
127.03850	0.5
127.24929	0.4
131.04993	0.5
133.03441	0.8
133.10132	0.5
134.28673	0.5
135.08061	0.4
139.03603	0.5
156.03966	0.5
181.73244	0.4
185.04250	0.9
200.11060	0.4
201.03754	1.2
203.05345	1.4
259.07831	1.0
291.19489	0.5
299.18658	0.7
317.19516	2.4
331.10037	1.8
335.20581	2.1
345.11478	0.6
359.13171	0.6
370.94720	0.4
373.14847	0.5
378.17694	0.4
483.22205	2.2
535.28241	0.6
553.29767	100.0
554.30023	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.05497	0.4
57.31245	0.2
65.75451	0.2
67.05497	0.9
69.07051	0.4
69.34126	1.8
69.34542	0.4
79.05491	0.8
81.03407	0.6
81.07045	0.6
83.01133	0.3
83.04975	0.3
83.08617	0.3
83.29969	0.3
91.05476	0.7
93.07042	0.6
95.08600	0.7
98.97603	0.3
107.08570	0.4
109.10149	0.6
117.06967	0.3
119.01965	0.2
119.08575	0.4
123.11680	0.3
133.03473	0.6
133.10114	0.3
137.90895	0.3
157.04773	0.4
161.03014	0.2
185.04187	3.2
201.03596	1.4
248.75809	0.3
259.07690	0.3
275.07166	1.1
299.18613	0.4
301.08704	0.4
317.19580	1.3
331.09875	3.3
332.09882	0.3
335.20630	0.9
345.11572	0.7
345.27393	0.2
359.13031	0.4
359.20627	0.4
373.14905	0.5
377.21634	0.2
387.16391	0.4
391.24432	0.7
401.17889	0.4
415.19357	0.9
455.22400	0.7
483.21759	1.7
535.27832	0.8
553.29767	100.0
554.30261	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88275	0.2
55.05492	0.7
56.96565	0.2
57.03428	0.5
61.02926	0.7
67.05504	1.9
69.03419	0.4
69.07058	0.7
71.33814	0.5
73.44141	0.2
79.05488	1.2
81.03412	0.6
81.07055	1.2
83.08630	0.6
85.02904	0.9
91.05468	1.3
93.07060	1.3
95.04953	0.7
95.08602	0.8
105.07027	1.0
107.04958	1.5
107.08606	0.9
109.06522	0.4
109.10156	1.0
117.07060	0.3
119.08572	0.5
121.06457	0.4
121.10130	0.5
125.09633	0.3
127.03937	0.3
133.03448	0.4
133.10147	0.5
135.11629	0.4
136.89343	0.3
161.02983	0.3
164.12012	0.3
185.04289	0.3
189.11192	0.3
192.93736	1.2
203.05330	0.8
203.31354	0.2
212.08386	0.4
229.14302	0.3
259.07925	0.5
296.18762	0.3
299.18561	0.4
317.19568	1.4
330.02295	0.3
335.20895	0.5
340.21167	0.3
383.24277	0.3
391.24561	0.6
404.56058	0.3
406.04123	0.3
415.55164	0.2
441.31985	0.3
535.28119	0.5
551.94196	0.3
552.22974	0.3
553.29816	100.0
554.30176	1.3
576.61945	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.4026
Annotation	LysoPC(20:0)
Peak:m/z	Relative Intensity
57.07079	2.5
60.08166	15.5
70.01982	6.3
71.07369	6.1
71.08653	2.0
71.26745	1.6
85.04248	1.4
86.09708	43.3
98.98494	2.2
104.10744	96.6
109.10191	1.3
125.00006	21.7
183.33604	1.5
184.07343	100.0
190.13783	1.3
195.20465	1.4
195.42804	1.5
225.34505	1.4
243.12323	1.2
258.11185	1.7
369.33862	1.9
469.40677	1.3
534.39172	8.6
552.40326	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90633	2.5
70.06581	2.8
70.76723	7.4
71.68018	2.8
77.45490	2.1
80.09171	2.3
94.93044	6.2
172.39299	2.9
186.93190	4.5
208.97292	7.9
209.95761	3.6
210.07220	2.5
210.94064	100.0
210.97194	13.3
212.85184	5.4
228.94254	4.2
246.95370	5.1
247.11595	2.6
248.89688	7.5
261.60733	2.6
270.95285	5.7
381.08069	12.8
490.62039	3.0
491.23166	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.9
56.05034	1.1
58.06597	0.8
60.08165	12.7
65.34596	0.4
67.05499	0.9
69.61449	3.3
70.06615	0.5
71.04965	0.4
71.07376	6.0
72.08144	0.5
79.05479	0.7
81.07057	1.0
86.09708	43.8
87.10045	0.4
91.05486	0.6
93.07037	0.7
95.08620	0.7
98.21502	0.6
98.98460	3.7
104.10746	69.9
107.08544	0.4
109.18340	0.4
110.99921	0.4
113.04163	0.4
116.99475	0.4
119.08559	0.4
121.30536	0.4
125.00008	24.6
131.06673	0.4
134.89604	0.4
157.41275	0.4
163.01486	0.4
184.07346	100.0
185.07672	0.9
213.51791	0.4
258.11072	0.8
333.27222	0.4
434.22925	1.3
452.24158	6.4
516.30725	1.4
534.24823	0.5
534.31976	5.6
535.31720	0.5
552.25568	0.6
552.33075	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	552.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.4
56.05051	1.1
58.06609	1.1
60.08163	17.5
67.05507	1.8
69.49016	4.7
70.06581	0.7
71.07375	6.9
72.08171	0.8
79.05488	1.1
81.07055	1.3
83.04974	0.6
86.09706	51.2
91.05479	0.7
93.07030	1.3
95.08596	0.6
98.98459	4.5
104.10744	100.0
105.11053	0.6
107.04890	0.6
107.05550	0.6
125.00005	28.6
126.13779	0.5
128.23402	0.5
143.01065	0.9
163.01588	0.7
184.07341	95.4
185.07709	0.6
244.91566	0.6
251.88260	0.5
258.11035	1.4
269.17606	0.6
316.43301	0.5
434.23080	1.3
452.24042	6.6
516.30927	3.6
534.31866	8.2
552.33014	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	552.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30430	0.2
55.05503	0.4
56.05038	0.5
58.06607	0.5
60.08162	7.0
60.36506	0.2
67.05498	0.5
69.03396	0.3
70.06581	0.5
70.84360	0.7
70.84701	0.3
71.07368	3.0
81.07070	0.3
81.91601	0.2
83.08678	0.3
84.08105	0.3
86.09705	31.4
89.20628	0.3
91.05467	0.6
93.07019	0.5
95.04969	0.5
98.98460	3.6
104.10741	7.2
105.07080	0.3
107.04958	0.9
125.00005	23.0
143.01028	0.6
153.76974	0.3
184.07336	100.0
185.07709	0.8
243.08823	0.5
280.04535	0.3
289.38547	0.3
376.80673	0.3
377.14441	0.8
437.45901	0.3
452.24142	0.6
534.31915	1.2
552.33160	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49927	0.2
61.09401	0.2
67.05472	0.4
69.70422	1.2
77.69059	0.2
79.05495	0.5
80.04978	0.4
81.07001	0.3
82.06541	0.4
85.02872	0.2
91.05451	0.5
93.07032	1.5
94.06551	2.0
95.04929	0.4
95.07355	1.4
95.08556	0.2
96.08127	3.0
97.06498	0.2
98.21573	0.2
103.05456	0.2
107.04924	0.3
108.07421	0.3
108.08108	3.3
109.08836	0.3
110.06018	0.2
110.09678	5.6
120.04456	3.4
120.08102	4.8
121.06484	0.2
122.06041	1.0
122.09612	0.4
124.07537	0.8
132.08102	0.2
134.06058	0.4
136.07562	2.9
137.08293	0.3
138.09126	8.8
144.04404	0.3
146.05959	0.8
148.07553	1.3
150.05513	0.7
150.09084	0.7
151.06270	0.4
151.09814	0.2
152.07056	1.4
152.10635	0.7
154.04947	0.2
162.09119	0.2
164.07072	0.9
164.44418	0.2
166.08627	7.5
172.03970	0.2
174.09149	0.3
176.06947	0.2
176.10693	0.6
180.10172	0.6
182.09988	0.2
182.11708	0.7
184.09862	0.2
185.10692	0.3
190.05008	0.2
192.06543	0.3
194.08171	1.5
195.09203	0.2
196.09801	0.5
197.10664	0.8
198.11403	0.2
199.12405	0.3
204.06523	0.3
206.08089	0.2
208.09789	0.2
209.10786	1.0
210.11472	0.3
211.08606	0.4
211.12251	0.4
212.09235	1.0
213.10158	0.7
218.08035	0.2
220.09933	0.3
221.10677	0.5
222.07726	0.3
222.11450	0.4
223.08678	1.5
223.12215	1.1
223.34395	0.2
224.09325	1.0
225.10178	2.6
226.10962	0.5
227.11726	1.1
229.55791	0.2
233.10718	1.0
235.08664	1.3
235.12309	0.3
236.09425	1.5
237.10210	7.8
238.11011	1.7
239.08171	1.8
239.11789	3.4
240.12271	0.2
241.09656	0.8
243.11401	0.2
245.12828	0.6
247.08752	0.3
248.09314	1.6
249.10229	5.6
250.10921	1.9
251.08138	3.5
251.11772	5.8
252.08960	0.8
252.12509	1.3
252.14774	0.2
253.09695	4.8
253.13338	0.4
254.10460	0.6
255.08366	0.2
255.11192	0.8
259.14496	0.2
260.09451	0.2
261.10147	2.4
262.10922	0.8
263.08148	0.6
263.11768	3.5
264.08871	0.8
264.12543	0.2
265.09717	8.4
265.13083	0.6
266.10565	1.7
266.13089	0.3
267.08063	0.3
267.11270	5.7
267.14340	0.3
268.11954	0.5
269.09106	0.6
269.12906	0.7
271.10748	2.0
273.12476	0.4
274.07291	0.3
275.08154	0.3
276.08914	0.5
277.09695	2.2
278.07104	0.3
278.10468	3.8
279.04810	0.3
279.07666	3.5
279.11255	9.4
280.08646	0.3
280.11975	1.8
281.09213	2.8
281.12805	2.1
282.09937	0.9
282.13553	0.2
283.10773	6.4
283.14008	0.5
284.11279	0.3
285.12323	0.6
287.13953	1.7
289.09686	5.4
290.10312	0.5
291.07938	0.3
291.11252	2.0
292.08301	0.3
293.09192	1.8
293.12823	4.0
294.09973	5.3
294.13345	0.5
295.10803	4.2
295.14163	0.5
296.11548	2.6
297.08630	0.8
297.12286	1.6
298.09369	0.6
299.10275	1.8
300.10974	0.2
305.09174	0.4
306.09769	1.6
307.10764	2.2
308.08423	0.2
308.11374	1.1
309.08960	0.3
309.12274	2.6
310.12976	0.5
311.10223	6.2
311.13855	1.7
312.10995	2.8
312.14526	0.2
313.11780	1.6
314.12619	1.4
315.13586	0.4
316.14310	0.3
317.09164	0.8
321.08636	0.5
321.12305	0.6
323.10165	1.1
323.14001	1.0
324.11063	2.0
325.11847	1.6
326.12585	4.6
327.13358	8.1
328.14227	0.2
335.10245	7.8
336.10913	0.6
337.08109	0.3
337.11853	0.9
339.13370	49.7
340.10477	2.6
340.13974	1.0
342.16010	0.3
346.15408	0.4
349.11710	0.4
352.10577	1.1
353.11246	0.7
354.12097	4.1
354.16443	0.3
355.12851	15.1
356.13617	0.4
358.15350	0.3
367.12875	33.5
368.13431	0.3
370.15561	0.3
371.12274	0.6
372.17087	0.3
374.15018	0.3
376.16431	0.2
383.12311	0.3
386.14682	0.7
387.15604	1.0
388.16751	0.3
390.18295	0.4
399.15527	0.5
400.16510	0.4
401.17325	0.3
402.17831	0.3
404.15759	0.3
418.17636	0.5
432.19577	0.4
436.18762	0.4
442.17624	0.3
444.19370	0.5
447.17792	0.5
450.20721	0.2
451.21109	0.8
460.18765	1.4
470.17148	0.4
479.20633	2.1
488.18146	12.7
489.18491	0.3
492.21231	6.1
492.28378	0.3
502.19916	0.9
520.20770	100.0
521.20923	1.4
538.21777	0.7
552.23322	5.3
552.31799	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06273	0.2
63.46401	0.2
65.03918	0.4
67.05470	0.2
68.38537	0.2
69.92010	1.1
70.06567	0.6
78.91579	0.2
79.05471	0.5
80.04977	0.4
82.06523	0.3
84.08100	0.2
85.02854	0.2
85.48172	0.2
86.09657	0.3
91.05419	0.8
93.07043	1.4
94.06554	1.9
95.04939	0.3
95.06060	0.3
95.07347	1.6
96.08121	3.5
98.21407	0.3
103.05411	0.3
106.06495	0.3
107.04952	1.1
108.04422	0.2
108.08112	3.4
109.10166	0.2
110.09676	6.3
113.31264	0.2
118.06551	0.4
120.03755	0.3
120.04462	3.0
120.08101	4.4
121.06470	0.2
122.06004	0.7
122.09622	0.4
123.06757	0.4
124.07521	1.0
132.08060	0.3
134.06020	0.3
134.09593	0.2
136.07562	3.4
138.09128	8.5
145.37555	0.2
146.05916	0.7
148.07552	1.6
150.05464	0.5
150.09088	0.7
151.06242	0.2
152.07042	1.4
152.10597	0.7
160.07544	0.3
164.06976	0.6
166.08623	7.9
168.08105	0.3
172.03748	0.2
176.10643	0.6
178.08614	0.3
180.10176	0.4
182.11601	0.4
188.06992	0.3
190.04924	0.3
192.06505	0.3
194.08151	1.1
194.09639	0.2
196.09830	0.5
197.10689	0.8
202.08649	0.3
204.06366	0.3
209.10783	1.0
211.08595	0.4
211.12248	0.5
212.09402	0.8
213.10173	0.7
218.08247	0.3
221.10638	0.4
222.11531	0.3
223.08636	1.6
223.12244	1.1
224.09384	1.2
225.10216	2.9
226.10907	0.7
227.11754	0.9
233.10649	0.6
235.08644	1.8
235.12271	0.7
236.09378	1.2
237.10217	6.7
238.10910	1.4
239.08083	1.4
239.11761	3.7
241.09630	0.8
243.11371	0.3
245.12923	0.5
247.08780	0.2
248.09335	1.3
249.10201	4.8
250.11000	2.6
251.08124	3.2
251.11757	5.9
252.08801	0.8
252.12564	1.0
253.07085	0.3
253.09662	5.0
253.12816	0.3
253.13249	0.3
254.10414	0.4
255.11220	0.9
261.10181	2.4
262.11002	0.9
263.08240	0.6
263.11774	3.0
264.08871	0.7
264.12616	0.3
265.09708	8.7
265.12860	0.4
266.10464	2.0
266.13104	0.3
266.14063	0.2
267.08212	0.3
267.11267	5.1
268.11972	0.6
269.09152	1.0
269.12833	0.6
271.10748	1.9
273.12234	0.4
276.08771	0.6
277.09711	2.6
278.06631	0.2
278.07175	0.3
278.10449	3.6
279.07651	3.5
279.11237	9.6
280.08804	0.3
280.12009	1.3
281.09167	2.6
281.12796	1.3
282.10086	1.1
283.10751	6.8
283.13940	0.4
284.11600	0.3
285.12247	0.8
287.13873	1.4
289.09662	5.7
290.10483	0.6
291.11188	1.7
292.08551	0.3
292.12161	0.3
293.09195	1.4
293.12811	4.2
294.09995	5.5
294.13382	0.5
295.10767	3.5
295.14197	0.5
296.11542	2.0
297.08710	0.7
297.12305	1.3
298.09390	0.6
299.10367	1.6
299.13287	0.3
300.11057	0.3
306.09717	1.3
307.10651	1.6
308.11481	1.0
309.09018	0.4
309.12213	2.2
310.12994	0.4
311.10196	5.9
311.13879	1.9
312.10971	3.1
313.11743	2.0
314.12579	1.6
315.13403	0.4
316.14236	0.3
317.09222	1.2
321.08780	0.4
321.12286	0.8
323.10202	1.1
323.13925	1.2
324.10971	2.0
325.11786	1.3
326.12561	4.4
327.09439	0.5
327.13345	7.9
328.14053	0.3
330.16016	0.3
335.10205	7.2
336.10846	0.4
337.08133	0.4
337.11823	0.8
339.13358	47.6
340.10455	2.5
340.13956	0.7
343.13205	0.2
346.15543	0.4
352.10556	0.9
353.11197	0.8
354.12067	3.5
355.12842	14.4
356.13562	0.3
357.14325	0.3
360.17337	0.2
367.12857	30.2
368.13446	0.5
371.12317	0.4
372.17285	0.4
376.16492	0.3
386.14932	1.0
387.15775	1.4
388.16351	0.4
399.15540	0.9
402.17865	0.4
408.18585	0.3
419.18594	0.4
432.19537	0.3
436.18768	0.4
442.18002	0.3
444.19421	0.4
447.17975	0.5
451.21027	0.6
460.18719	1.5
461.19504	0.3
464.22171	0.3
474.20386	0.5
479.20193	1.7
488.18155	12.7
489.19189	0.4
492.21249	6.0
502.19522	0.6
505.18124	0.2
520.20752	100.0
521.21210	2.4
538.22046	0.7
552.23224	6.4
552.30377	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.2
53.03934	0.6
55.01855	0.4
57.03449	0.4
60.04505	0.5
61.02919	0.2
69.03429	0.6
69.52964	1.7
70.06593	1.7
72.08146	0.4
73.02905	0.8
77.03908	0.3
79.05490	1.2
81.03410	0.9
81.07057	0.5
83.08622	0.2
84.04478	0.4
84.08128	0.4
85.02898	0.8
86.09696	0.7
94.37275	0.2
95.04974	1.6
97.02885	0.9
98.06033	0.2
98.21488	0.3
105.07093	0.2
106.05006	0.7
107.04951	100.0
108.05287	1.1
110.06015	0.3
110.07163	0.4
115.03931	0.8
120.08098	0.7
123.04420	0.4
124.07573	0.6
127.03897	0.3
129.10271	0.3
130.04987	0.4
133.04977	0.3
136.07573	0.3
137.06004	0.3
145.04936	0.3
147.04407	0.5
147.46010	0.2
152.07069	2.0
153.07410	0.8
161.04510	0.2
170.08139	0.7
193.12276	0.8
212.10641	0.5
213.10982	0.4
226.12231	0.4
226.14326	0.3
227.12688	0.3
257.10556	0.3
267.15756	0.3
271.11981	1.7
272.12537	2.8
273.13205	1.2
285.16971	0.5
288.12531	0.3
289.12537	0.3
295.10129	1.1
333.94772	0.2
364.15573	0.7
365.15759	1.7
390.21246	0.4
427.18689	0.5
428.19095	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	0.2
53.03931	0.7
57.03423	0.5
60.04516	0.2
61.02906	0.3
67.05487	0.2
68.31189	0.1
69.03413	0.6
70.06585	1.0
71.04979	0.1
72.08141	0.4
73.02912	0.9
74.19122	0.1
79.05498	0.8
81.03422	0.7
81.07065	0.2
84.04491	0.3
84.08130	0.6
85.02902	0.7
86.09689	0.3
88.03971	0.2
93.07024	0.1
95.04964	1.7
97.02880	0.9
105.04501	0.4
105.06981	0.1
106.05023	0.3
107.04948	100.0
108.05285	0.9
110.06042	0.2
110.07185	0.4
115.03897	0.7
119.04923	0.2
120.08098	0.5
123.04404	0.3
124.07581	0.3
129.10268	0.3
130.04941	0.2
130.15894	0.2
133.05000	0.2
136.07593	0.2
145.04935	0.3
147.04411	0.5
152.07047	1.3
153.07416	0.6
166.08636	0.2
170.08191	0.5
171.08644	0.2
177.00652	0.2
193.12299	0.5
193.97462	0.1
197.08322	0.2
210.09085	0.2
211.09587	0.2
212.10681	0.5
213.11131	0.3
226.12274	0.4
227.12633	0.5
257.10510	0.2
267.15863	0.3
271.11981	1.6
272.12558	2.4
273.13034	0.8
285.16910	0.3
288.12234	0.3
289.12601	0.3
295.10226	1.3
364.15387	0.5
365.15759	1.7
372.20380	0.1
410.17950	0.2
427.18848	0.6
428.18896	1.9
450.87875	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53030	30.5
70.23361	100.0
76.52599	26.3
81.39825	27.3
98.20802	32.1
110.79246	34.5
493.38782	29.3
542.91284	37.1
551.31110	85.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.7
55.01866	5.1
55.05503	10.3
56.05045	8.4
56.43005	1.5
58.99589	14.8
60.04519	1.6
61.01154	1.8
67.05497	4.6
68.05039	2.0
69.03411	2.0
69.07069	2.2
70.02941	6.1
70.06601	10.2
70.88471	3.3
72.04504	5.0
72.08139	3.0
74.00665	9.7
76.01896	1.5
76.02234	18.7
76.04001	7.4
79.05489	4.9
80.05014	11.7
81.03407	3.9
81.05804	3.3
81.07048	3.3
82.06574	2.1
83.04990	2.1
83.06103	6.6
83.08607	5.1
84.04504	58.2
84.08154	2.6
85.01130	35.7
85.02917	2.2
85.04029	3.3
86.00653	36.4
86.09693	6.0
86.99053	66.9
87.02686	3.6
88.02203	5.8
91.05473	3.4
93.07019	3.0
95.04973	2.1
95.08608	2.2
96.04461	6.1
97.01116	9.4
97.10174	5.4
98.00626	5.6
99.01424	2.4
100.02233	7.7
102.03765	23.2
102.05553	13.4
105.06991	1.9
107.04952	2.1
107.08580	3.1
109.07658	4.2
110.07145	2.3
112.02191	29.8
112.03951	4.3
113.00607	5.2
114.03743	17.1
116.01682	25.9
120.08099	1.7
121.10086	2.7
124.02171	5.8
125.09595	5.1
126.03723	4.2
129.06628	6.6
130.03239	16.0
130.05000	30.9
131.04520	3.6
131.08571	1.8
132.01137	3.8
139.02095	1.6
140.01616	3.1
142.03218	45.0
143.02728	32.7
144.01115	6.6
145.06085	5.0
146.02707	2.3
153.06615	5.1
155.08170	4.3
156.06566	4.3
158.02722	8.2
162.02208	10.6
168.04837	4.3
169.04277	7.6
170.02701	5.2
171.02174	9.9
177.03297	11.8
177.04593	1.9
179.04871	12.5
181.06052	5.7
188.03796	3.9
189.03288	100.0
193.12283	2.4
196.04279	9.3
205.06415	14.8
207.40974	1.7
211.13365	2.5
215.04846	41.8
217.06433	6.4
224.03766	6.6
227.04848	3.5
231.04323	3.7
233.05901	15.3
241.06433	3.5
243.04443	1.9
245.05977	8.9
256.13602	1.6
257.07663	1.5
259.07513	3.1
266.12109	4.0
269.05914	2.2
278.80057	1.5
284.13086	3.6
287.06949	20.1
299.07138	2.9
320.15164	4.1
341.15500	2.2
345.07645	3.8
362.10156	9.3
387.15915	2.9
405.16818	12.9
423.17975	2.9
508.66721	1.6
534.20526	2.9
552.21942	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	551.2824
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
58.32272	0.7
65.27329	0.6
66.83545	0.7
67.05487	1.1
71.59136	1.5
76.60802	0.5
81.07046	0.8
95.08610	0.8
97.64907	0.7
146.78564	0.6
148.14058	0.7
148.64023	0.7
150.68925	0.7
164.35593	0.8
199.02228	0.7
219.50516	0.7
222.47084	0.7
267.21976	0.6
324.90097	0.7
337.27231	1.0
375.25055	10.4
402.30173	0.8
413.25662	0.7
417.26404	0.9
438.39038	0.7
549.48035	0.7
551.28278	100.0
552.28619	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	5.6
57.07073	65.3
61.02883	2.8
67.05499	8.3
67.47684	2.3
69.03392	3.8
69.07063	68.8
70.04078	15.3
71.59895	3.8
79.05470	9.0
81.07049	9.1
85.02882	2.9
91.05455	9.7
93.07026	3.5
95.08598	5.8
97.06539	2.6
105.07022	6.8
107.04940	10.1
107.08601	4.9
109.10106	4.2
119.08579	4.2
127.03931	2.9
127.05074	2.4
149.09525	2.6
155.57115	2.6
176.92763	2.6
184.07417	3.3
196.69800	2.7
197.64265	2.4
199.03078	3.6
209.05893	3.0
215.02605	7.8
231.02014	20.0
233.03639	8.3
245.03598	4.8
247.05209	3.0
251.06880	2.9
255.02036	2.8
256.58398	2.6
258.99005	5.1
259.01556	63.6
259.04385	4.3
259.05484	3.1
261.03104	32.0
273.03149	34.5
287.04721	13.7
287.08249	7.2
289.09964	5.6
294.12521	6.0
301.02618	7.0
301.09863	10.9
303.05017	7.7
315.11346	4.4
317.09412	4.5
329.09326	43.1
357.08908	18.0
357.15860	14.1
385.15594	19.5
426.12119	100.0
446.20578	15.8
454.18893	24.1
482.18253	14.3
551.32202	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	551.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.9
55.01852	5.0
55.05496	4.1
56.05009	1.5
56.96541	3.1
57.03416	5.1
59.96605	1.6
61.02909	7.0
67.01870	5.4
67.05489	5.7
68.99775	3.9
69.03075	2.6
69.03424	35.7
69.07049	7.4
70.06586	13.5
70.16985	5.8
71.04984	2.7
72.08152	4.5
73.02898	6.4
76.02254	1.5
79.05482	7.8
81.02969	2.8
81.03412	32.7
81.07039	7.9
83.08599	2.3
84.08135	4.5
84.66320	1.7
85.02900	68.8
86.09701	10.0
87.00830	20.0
87.04456	4.0
91.03916	2.0
91.05469	7.5
93.07032	10.8
95.04939	3.9
95.08624	13.0
97.02881	21.2
97.06525	2.2
98.97590	2.4
99.04440	12.8
103.03981	1.7
103.05502	2.8
105.01855	14.0
105.07023	3.7
107.04948	50.7
107.08581	5.7
109.02876	24.2
109.06492	3.1
109.10142	11.8
111.04366	1.8
117.01845	2.4
117.07005	2.1
119.08556	3.4
120.08061	4.1
121.02853	3.9
121.06490	8.0
121.10133	14.5
123.04409	3.4
123.11713	11.7
127.03906	39.3
128.98465	1.7
129.01793	3.7
131.04912	3.7
131.08514	1.6
133.06468	2.6
133.10133	3.2
135.04405	89.9
135.08003	1.7
135.11653	2.8
136.07591	2.3
137.02281	2.5
137.05988	14.4
143.08521	2.5
145.04980	10.0
145.06461	1.9
146.99614	2.0
147.02882	2.8
147.04395	4.0
149.05952	5.9
151.03891	4.8
153.05457	18.2
157.06516	1.8
159.02856	9.2
159.04411	6.9
161.05957	7.6
163.03894	100.0
163.07516	4.2
167.07007	1.6
173.05948	4.7
175.03879	2.4
175.07568	11.1
177.05388	9.6
181.04945	55.9
181.06520	3.3
185.06058	2.6
187.03816	2.1
187.07523	3.6
189.03973	3.9
189.09074	2.8
191.06969	2.0
195.06395	2.1
199.07576	2.9
199.18004	2.0
201.05428	6.7
201.09116	6.3
205.04979	9.3
207.06619	3.2
211.07536	1.9
215.06987	7.0
215.10545	3.0
217.08676	2.0
219.06534	2.6
221.08078	6.2
229.02023	1.8
229.05156	2.4
229.08609	5.4
231.04991	6.0
243.06419	2.0
247.05977	3.4
247.09650	2.7
257.15350	17.1
259.09686	4.2
271.16916	2.0
281.15341	8.0
283.13297	4.0
285.14822	41.4
287.12711	2.1
299.16400	6.5
301.14441	2.7
303.04996	23.5
303.15866	54.2
309.11496	1.9
309.14883	4.1
315.15897	3.7
321.12115	2.6
323.16504	3.9
327.15921	9.9
337.10730	2.8
345.16763	5.2
369.16901	2.2
393.16916	3.0
446.67093	2.1
461.16537	2.4
497.17664	2.5
551.21155	2.4
551.33887	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	551.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22281	0.1
53.03722	0.2
53.03939	1.8
55.01867	1.9
56.96547	0.5
57.03429	1.2
61.02922	0.9
65.03916	0.2
68.99773	1.3
69.03423	5.6
70.06586	1.5
71.01328	0.2
71.04977	1.7
72.08147	0.3
73.02906	1.7
79.05461	0.4
81.03409	7.8
81.07082	0.3
83.01312	0.2
84.04475	0.2
84.08138	0.3
84.62998	0.2
84.89467	0.1
85.02897	12.8
86.09698	0.5
87.00819	5.1
87.04469	0.3
91.03941	0.6
93.03407	0.2
95.04956	0.5
96.79793	0.2
97.02885	4.7
98.21528	0.3
99.04450	2.7
103.03894	0.2
105.01854	3.4
107.04942	4.8
108.05270	0.7
109.02866	6.9
111.00797	0.8
115.03912	0.2
117.01846	1.0
117.02557	0.2
121.02827	0.9
121.06471	0.3
123.04388	0.2
127.03905	9.2
129.01796	1.1
129.05481	0.3
129.10196	0.2
131.04832	0.2
135.04433	0.2
137.02330	3.3
145.04935	2.7
145.06210	0.3
147.02875	0.6
149.02316	0.5
153.01804	3.8
155.04880	0.3
159.02882	4.2
161.01230	0.2
161.05954	0.5
163.03917	0.8
165.01807	1.9
165.08611	0.2
166.02652	0.3
173.05983	0.3
174.08928	0.2
183.02890	1.1
183.04379	0.3
187.03899	0.4
191.06895	0.2
201.05457	1.7
205.04956	0.2
213.03842	0.2
219.06534	0.4
227.09451	0.2
229.04942	4.1
231.05032	1.3
239.03444	0.2
246.11194	0.8
247.05983	0.6
257.04416	2.2
267.12708	1.2
274.04733	0.6
285.03931	1.1
285.13739	0.5
303.04956	100.0
304.05319	1.4
311.15253	0.2
329.16324	0.4
345.06015	0.4
377.01666	0.3
491.21460	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1026
Annotation	Quercetin 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
51.16506	0.1
53.03944	1.6
55.01867	1.8
57.03438	1.0
61.02919	1.0
65.03936	0.2
67.01854	0.1
68.99783	1.6
69.03424	6.7
69.49429	0.7
69.49844	0.2
70.06575	0.1
71.01333	0.1
71.04996	0.8
72.08161	0.2
73.02910	1.9
79.26431	0.1
81.03413	7.8
83.01311	0.2
85.02898	11.6
86.37182	0.1
87.00824	5.4
91.03937	0.6
93.03370	0.3
95.04951	0.3
97.02281	0.2
97.02885	3.5
99.04446	2.3
103.03992	0.1
105.01168	0.2
105.01859	3.5
107.04953	0.3
109.02874	6.6
111.00794	0.9
115.03953	0.2
117.01849	1.2
121.02847	0.9
123.04451	0.3
127.03908	9.5
129.01808	0.7
135.04390	0.2
137.02327	3.5
137.03395	0.2
137.05994	0.1
137.42612	0.1
145.04948	3.0
145.06223	0.2
145.06541	0.1
147.02864	0.5
149.02341	0.5
153.00555	0.2
153.01814	4.1
159.02882	4.5
161.05980	0.3
163.03886	0.6
163.26996	0.1
165.01822	1.8
166.02586	0.2
173.05956	0.6
177.03879	0.2
177.05418	0.2
183.02859	0.8
183.04414	0.3
187.03896	0.4
191.03410	0.2
191.07147	0.1
195.02867	0.3
201.05473	2.0
205.04951	0.3
213.03848	0.2
213.05717	0.1
219.06517	0.4
228.04091	0.2
229.04939	4.2
231.04997	1.3
247.05981	0.7
257.04422	2.5
274.04691	0.9
275.05411	0.1
285.03976	1.2
302.04236	0.2
303.04962	100.0
304.05341	1.0
315.04471	0.2
327.04834	0.1
345.05966	0.4
369.83307	0.1
411.06924	0.2
575.42816	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81006	0.3
52.37877	0.3
55.05517	2.1
57.07073	8.7
58.06599	7.6
58.33702	0.3
66.50359	0.4
67.21168	0.3
69.07050	2.1
70.06558	1.6
70.06890	0.3
71.08629	4.1
73.02882	1.4
78.06213	0.3
79.05450	0.7
81.07010	0.4
83.08588	1.1
84.08122	0.6
85.10167	2.0
87.04440	1.2
87.96389	0.3
88.07639	1.7
89.06026	6.3
90.06337	0.7
91.05433	1.1
93.07008	0.8
95.04903	0.6
97.10136	0.8
98.20739	1.3
102.09136	0.9
103.05441	1.0
105.07027	15.6
106.07350	4.0
107.04913	0.5
107.07654	0.5
121.06493	3.2
122.06838	0.6
127.50024	0.3
129.07004	0.4
129.16190	0.4
131.08542	1.1
133.08571	2.9
146.11658	0.4
147.08038	1.2
225.12659	0.4
268.29977	68.1
269.30243	0.8
312.32617	3.9
330.25223	0.3
353.94852	0.4
356.35260	1.0
400.37860	0.6
442.27155	0.4
542.20703	0.4
550.46753	100.0
550.88556	0.9
551.46936	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
55.01858	1.3
57.03421	1.0
61.00108	0.4
61.02907	1.6
67.05495	0.6
68.99777	1.1
69.03075	0.6
69.03424	7.9
69.66486	2.1
70.06586	4.1
71.04981	1.7
72.08149	0.5
72.93797	0.5
73.02910	0.9
77.76144	0.3
81.03414	6.0
83.01314	0.4
83.06075	0.4
84.04510	0.5
84.08121	1.0
85.02411	0.6
85.02906	8.5
86.09683	1.1
87.00826	3.1
87.04475	0.5
91.03939	0.5
95.04935	0.8
97.02887	14.4
98.20606	0.4
99.04434	2.1
105.01878	1.4
107.04959	2.7
109.02879	3.8
110.07145	0.8
111.00816	0.7
112.83855	0.4
116.07107	0.4
117.01832	0.4
120.08115	0.8
121.02858	1.1
123.04446	0.3
127.03908	6.7
129.10220	0.6
137.02318	4.1
145.04945	4.6
148.07565	0.4
149.02271	0.6
149.05913	0.3
153.01805	4.7
155.04829	0.5
155.53641	0.4
159.02882	0.9
163.03922	0.9
165.01845	1.8
166.04088	0.3
171.02945	0.4
173.05968	0.9
183.02873	1.2
201.03799	0.6
201.05406	2.3
229.04967	5.0
231.04973	0.4
247.06068	0.8
257.04465	2.2
265.05176	0.6
274.04868	1.0
283.06326	4.4
285.03955	1.1
303.04980	100.0
304.05261	0.9
315.04602	0.4
339.08994	0.9
357.09851	0.8
381.27246	0.4
501.14029	1.1
551.18597	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3869
Annotation	1-O-(cis-9-Octadecenyl)-2-O-acetyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
51.28522	0.3
54.82447	0.3
55.05501	0.5
56.05024	0.9
57.04121	0.3
58.06600	0.6
60.08167	5.9
61.25198	0.3
61.70772	0.3
67.03513	0.3
67.05493	0.5
69.07048	0.5
69.70497	1.7
71.07374	2.9
83.08589	0.5
86.09708	31.2
87.58565	0.3
91.52837	0.3
98.20794	0.4
98.98462	3.5
104.10736	3.1
112.91975	0.3
125.00010	21.4
143.01030	0.5
182.99802	0.3
184.07347	100.0
185.07635	0.3
367.65631	0.3
368.54114	0.3
532.37756	0.8
550.38330	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.7
55.39416	0.6
56.05011	1.2
57.07082	0.9
58.06599	1.6
59.07356	0.6
60.08162	19.5
61.29515	0.6
67.05488	1.0
69.07054	1.9
70.04088	2.6
71.07375	7.3
71.08624	0.7
72.12269	0.6
79.47221	0.5
81.07042	0.9
83.08610	1.7
85.10152	0.5
86.09705	54.0
92.70982	0.5
95.08615	1.0
97.10176	1.2
98.98466	4.3
104.10742	100.0
109.10047	0.7
123.11720	0.6
125.00000	30.2
130.22768	0.6
143.01019	0.6
163.01495	0.6
184.07336	98.3
258.10989	1.2
270.87241	0.6
350.45572	0.6
367.31973	1.3
473.30170	0.8
489.04861	0.6
532.37634	8.2
550.38647	23.4
553.42084	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	0.5
56.73556	0.3
57.58185	0.3
57.84094	0.4
58.06598	0.7
60.08162	5.9
61.35651	0.3
67.05493	0.4
70.02615	0.4
70.04783	0.7
70.05180	0.8
70.06612	0.3
70.46996	0.3
71.07373	3.2
79.05507	0.5
86.09706	27.7
87.10012	0.4
91.05480	0.4
95.04950	0.4
96.21690	0.3
97.10203	0.3
98.98458	2.6
104.10750	5.6
105.11136	0.4
107.04937	0.9
125.00002	19.7
131.78331	0.4
143.01062	0.4
149.76791	0.4
150.83417	0.3
161.51555	0.3
184.07338	100.0
185.07774	0.5
442.83597	0.5
464.24152	0.7
532.30243	1.1
550.31531	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	550.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	0.4
58.06355	0.2
58.06600	0.4
59.55930	0.2
60.08162	7.4
60.13701	0.2
69.07066	0.3
70.06582	0.5
71.07372	3.4
71.33346	0.5
77.93352	0.2
79.05495	0.3
81.07031	0.3
86.09703	31.9
88.07621	0.2
88.67079	0.2
91.05459	0.6
93.07018	0.4
98.98464	3.1
104.10741	7.8
105.07013	0.5
107.04948	1.0
108.05241	0.2
112.58743	0.2
115.63979	0.2
125.00001	22.1
143.01019	0.5
145.06601	0.2
184.07336	100.0
185.07709	0.5
239.39224	0.3
258.11038	0.5
345.82416	0.3
359.07321	0.2
365.23047	0.3
452.23715	0.2
514.28979	0.3
532.30304	1.8
550.31335	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	550.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05012	1.1
57.03430	1.4
58.06596	0.7
60.08165	12.1
67.05505	0.8
70.21773	1.0
70.22166	1.5
71.07375	6.2
79.05477	1.3
81.07043	1.2
86.09708	42.3
87.10029	0.8
88.07624	0.7
89.74065	0.5
91.05478	1.8
93.07035	0.7
95.08617	0.9
98.98449	2.5
104.10745	70.1
105.07028	1.6
107.04982	0.8
107.08597	0.9
117.04768	0.5
117.07052	0.6
119.08641	0.7
124.99086	1.2
125.00010	25.0
129.07018	0.7
131.08577	0.9
141.65552	0.6
142.25308	0.7
143.01030	0.7
153.98970	0.6
184.07346	100.0
185.07730	1.0
193.88011	0.6
258.11188	0.8
271.07019	0.7
347.22311	3.2
350.79718	0.9
496.28061	2.2
514.29346	16.6
515.29321	0.9
532.30353	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86620	0.2
51.12280	0.1
55.05505	0.3
56.05027	0.6
58.06358	0.2
58.06622	0.5
59.07389	0.2
59.47127	0.2
60.08163	7.0
67.05505	0.5
69.95335	0.2
69.95659	0.9
70.06592	0.3
71.07371	3.6
79.05474	0.3
81.07050	0.3
84.18958	0.1
86.09704	33.1
87.10036	0.2
91.05508	0.3
95.04964	0.2
95.08590	0.2
98.98470	2.7
104.10744	7.8
107.08598	0.3
109.10155	0.2
125.00003	22.8
143.01035	0.5
167.00096	0.1
169.80063	0.2
184.07336	100.0
185.07649	0.6
192.56026	0.1
258.11060	0.4
293.21204	0.2
532.30121	1.3
550.31439	4.6
551.28156	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
55.05487	1.2
56.05026	1.2
57.03416	0.5
58.06606	1.3
59.07420	0.4
60.08164	15.4
67.05496	1.7
68.24068	0.4
69.07069	0.6
70.06606	0.4
70.33978	1.8
71.07032	0.6
71.07377	7.1
71.08638	0.9
74.68781	0.5
79.05491	1.2
81.07056	1.2
83.04987	0.5
86.09708	51.3
86.81316	0.4
91.05471	0.9
93.07037	0.9
98.23049	0.5
98.98457	3.9
99.08080	0.8
104.10747	100.0
107.04936	0.4
107.08592	0.7
107.10159	0.4
109.10150	0.4
125.00008	25.0
125.09631	0.5
133.10211	0.5
134.91963	0.5
143.01036	0.4
163.01462	0.5
184.07347	91.8
258.11011	1.2
293.21133	0.8
338.14084	0.4
367.19473	0.5
473.22986	0.8
532.30383	6.3
550.31427	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26947	0.4
56.05021	0.4
58.06596	0.7
60.07885	0.5
60.08165	6.7
71.04225	0.8
71.07377	3.1
79.05513	0.6
86.09705	30.6
87.40144	0.3
95.08533	0.4
98.98459	3.0
104.10743	9.0
107.08559	0.5
109.64749	0.3
125.00004	21.9
138.72977	0.4
143.01007	0.5
184.07338	100.0
185.07623	0.5
232.40765	0.3
248.90352	0.3
514.29407	3.3
532.30444	2.7
547.67432	0.4
550.31323	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15010	0.3
54.17348	0.4
56.05012	0.8
58.06601	0.8
60.08165	6.9
70.06577	0.7
71.07372	3.2
71.43418	0.4
71.43741	0.6
79.05480	0.5
86.09702	33.6
90.67994	0.3
95.04945	0.5
98.98451	2.9
104.10728	6.8
107.04927	0.7
110.07201	0.4
124.99996	23.6
164.29781	0.4
184.07332	100.0
185.07631	0.9
189.27834	0.3
514.29321	2.0
532.30505	2.0
550.31238	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16484	0.3
56.05030	0.5
57.03426	0.3
57.65686	0.3
58.06603	0.5
60.07883	0.5
60.08164	6.4
69.82888	0.3
70.06568	0.3
70.24770	0.6
70.25142	1.0
71.07355	2.0
79.05490	0.4
82.81640	0.3
83.57448	0.3
86.09705	28.4
98.98464	2.7
104.10743	3.6
125.00005	20.0
143.01004	0.3
184.07338	100.0
185.07680	0.5
226.48686	0.3
258.10889	0.3
496.28018	0.3
514.29199	1.3
532.30762	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	550.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.7
56.05028	1.6
57.03431	1.0
59.07361	0.6
60.08163	13.0
69.37745	2.4
69.38174	2.8
71.07368	4.1
76.16864	0.5
79.05483	1.1
86.09704	46.7
91.05471	1.1
93.07028	1.1
98.98457	3.8
104.10742	70.9
113.68134	0.6
119.08633	0.6
125.00002	26.6
129.88435	0.6
141.66832	0.6
184.07343	100.0
358.27350	0.6
394.19547	0.7
446.50049	0.7
496.28159	1.2
514.29303	9.1
532.30280	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	550.306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.6
56.05016	0.7
57.03436	0.7
61.02921	1.4
67.05502	0.5
69.03417	2.6
69.62160	1.5
69.62590	1.9
70.04101	0.6
70.06587	4.0
71.04984	0.8
72.08138	1.2
73.02921	1.4
73.06540	1.2
79.05489	0.6
81.03397	2.1
84.04485	1.9
84.08148	1.2
85.02891	5.2
86.06058	1.7
86.09696	1.2
87.04459	7.2
89.06022	100.0
91.05473	0.7
93.07064	0.6
95.04954	0.8
97.02876	1.8
98.06046	1.3
99.04414	0.6
102.05544	0.5
104.07073	2.4
105.07064	0.5
107.04935	5.8
107.07053	4.0
108.05257	0.6
110.25948	0.5
111.08022	0.4
112.07560	0.8
117.09119	0.6
120.08063	0.5
121.02860	7.4
121.06474	4.0
121.10123	0.6
122.03218	3.5
122.06853	1.4
127.03908	1.4
129.10254	0.5
130.04985	0.6
130.08598	1.1
131.07027	1.2
133.08588	60.7
138.09113	0.9
147.04420	0.7
147.07800	0.6
149.09586	1.1
151.09709	0.5
152.07019	0.9
157.00441	0.8
175.09662	0.7
177.11208	26.7
193.12178	1.7
195.12273	1.0
204.10219	0.5
210.14771	0.6
221.13994	3.2
226.03622	0.8
239.14825	2.2
249.12317	1.1
250.12547	0.6
252.15738	0.8
265.16479	0.5
267.13220	0.5
267.15851	0.6
272.12698	0.8
278.17487	0.5
283.17484	5.6
285.16830	0.8
327.20059	4.1
344.20557	0.6
353.21259	0.8
362.21619	1.0
370.14380	0.5
370.21881	0.7
371.22729	52.5
388.15677	1.1
388.23254	5.8
444.29218	0.6
550.21802	0.6
550.28784	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	550.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.3
53.03939	0.7
55.01879	0.2
55.05501	0.4
56.93338	0.1
56.96547	0.2
57.03417	0.3
61.02919	0.2
61.78051	0.1
67.05491	0.3
69.03426	0.4
70.06586	1.8
71.04974	0.6
71.59818	0.2
72.08156	0.8
73.02896	0.2
74.06050	0.2
76.02219	0.6
77.03917	0.2
79.05480	1.1
81.03406	0.4
83.08609	0.1
84.04515	0.4
84.08140	0.7
85.02892	1.3
85.06563	0.2
86.09698	1.2
89.05994	0.2
91.05473	0.4
95.04959	1.9
96.63685	0.1
97.02886	0.4
98.09703	0.1
99.04449	0.3
102.05535	0.2
105.04515	0.2
105.07004	0.2
107.04946	100.0
108.05263	0.3
109.02877	0.4
110.07188	0.2
113.05994	1.1
114.00128	0.2
119.04996	0.1
120.08081	0.4
121.06485	0.2
127.03895	0.3
127.08652	0.1
129.10246	0.4
136.07492	0.2
137.05983	0.7
154.79945	0.1
161.06018	0.3
162.02170	0.2
163.02161	0.2
175.06055	0.6
179.04877	0.4
185.16473	0.1
189.09109	0.2
191.06970	0.2
201.05431	0.2
229.08740	0.2
229.10811	0.3
244.09834	0.2
247.11755	0.5
287.05487	0.2
288.10266	0.1
303.04944	1.3
318.13687	0.2
339.13635	0.2
361.02124	0.2
377.01837	0.2
395.02762	0.2
403.14661	0.3
421.16232	0.3
491.29129	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.6
56.05013	1.5
60.04509	0.6
61.02902	0.6
65.03926	3.5
68.55161	0.5
69.03411	2.1
70.06588	4.6
71.04969	0.7
71.59718	0.7
72.08142	0.9
81.03404	1.5
83.06111	1.8
84.04501	13.4
84.08127	1.9
85.02905	3.5
86.06065	0.6
86.09688	1.1
91.05486	3.0
93.07043	2.8
95.04945	1.2
97.02879	2.0
98.97603	0.8
99.04421	0.7
102.05503	0.6
102.99694	0.5
103.05467	1.8
107.04940	7.3
111.04417	2.9
116.07047	0.6
119.04913	0.7
120.08086	0.6
121.02858	81.2
121.06490	100.0
122.03202	0.6
127.03846	1.1
128.33961	0.5
129.06590	1.8
129.10217	0.8
130.04997	10.1
138.09131	18.8
138.10193	1.1
139.93166	0.5
147.04367	2.6
152.07103	0.6
177.05513	0.6
188.85861	0.5
203.11768	2.0
204.08311	0.9
204.10193	13.6
221.12837	18.5
241.31064	0.5
249.12326	24.3
250.07103	0.8
250.07857	0.8
250.10718	10.1
250.47769	0.6
267.13385	23.2
325.03485	1.1
366.15820	0.7
369.14441	6.1
369.20139	1.5
387.15479	30.1
411.17404	1.4
412.15845	0.8
429.18555	1.6
566.90973	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50934	2.3
55.01878	2.9
55.05509	5.5
56.05029	7.6
56.84729	2.3
57.57629	2.2
58.99567	4.5
60.04525	6.0
67.05496	2.8
69.07032	2.1
70.06594	56.5
70.07848	6.9
70.08259	4.6
70.30775	2.1
71.06928	4.0
72.08156	23.3
74.00652	2.9
74.06079	4.5
76.02225	11.0
79.05488	5.6
81.07059	7.3
83.06092	6.7
83.08616	2.5
84.04503	89.6
84.08144	21.2
86.06030	2.7
86.09704	26.1
86.99048	4.9
87.05579	4.7
87.10005	2.5
88.03976	3.5
89.07150	2.6
91.05477	7.0
93.07048	3.2
95.04919	2.8
95.08593	7.6
98.98438	3.1
102.05554	10.9
103.05441	5.8
104.10780	3.3
105.00069	9.2
105.07011	8.1
107.04954	84.6
108.05302	2.2
110.07160	17.1
112.08744	2.0
115.05418	3.5
115.08715	2.7
116.07039	2.0
117.07005	5.3
119.04953	4.0
120.08120	13.0
121.06500	8.6
122.02732	46.0
123.02631	3.5
126.05514	3.4
128.31776	2.2
129.06943	9.2
129.10208	12.3
130.05005	36.2
131.04918	22.3
132.05698	8.1
133.06438	9.2
134.06921	2.5
136.07600	6.0
141.10255	2.1
142.03242	12.0
145.06500	13.7
146.02689	7.7
147.06778	5.6
149.06000	6.2
151.02126	80.5
155.01025	3.0
155.08075	2.6
157.06451	11.4
158.02660	2.8
163.02126	100.0
163.07576	5.6
165.03610	3.4
175.07558	4.7
184.07373	8.3
188.03778	6.8
194.06313	2.5
199.07123	2.4
201.12285	3.2
206.06291	3.2
223.04503	2.1
223.15549	2.7
234.04335	7.5
235.04155	4.0
240.06873	28.0
249.05406	16.5
251.06976	52.3
252.06906	55.4
270.07779	4.3
271.19046	8.7
289.20111	5.3
364.08456	4.0
369.11139	47.0
381.11215	19.0
399.12231	3.2
454.85022	2.9
456.71005	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	549.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	8.1
60.04527	4.5
70.06591	100.0
70.07603	11.6
71.61314	2.3
71.95526	2.5
72.08161	14.2
74.06074	5.1
74.52824	2.3
76.02229	10.8
79.05496	7.5
84.04041	4.9
84.04504	59.3
84.08149	21.6
85.02917	3.1
86.06055	3.3
86.09715	12.8
86.99046	3.2
87.05582	6.3
88.03964	4.2
91.05451	3.0
98.06046	2.3
98.71232	2.8
101.07196	3.2
102.05549	8.0
105.00098	5.8
105.07013	8.3
107.04954	37.5
108.47171	2.5
110.07175	15.1
112.08710	4.4
115.05412	2.7
119.08502	3.2
120.08109	6.6
121.55668	2.8
122.02726	52.3
123.04375	3.7
126.05537	3.3
127.08583	3.4
129.10234	11.8
130.05025	27.6
130.06511	2.7
130.10565	3.5
131.04900	3.7
133.06499	20.7
136.07538	3.7
142.03195	8.2
145.06477	5.3
145.71849	2.6
151.02065	5.0
151.07486	2.3
155.08240	2.5
157.06529	4.7
159.08012	4.2
169.10722	3.1
188.03752	8.8
223.10860	2.6
230.11377	7.9
234.04323	7.6
251.06970	95.3
252.07002	4.0
281.11597	3.2
311.80475	3.2
449.75098	5.7
549.19574	5.2
549.30615	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	549.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.2
56.05035	0.2
57.03429	0.4
57.04539	0.6
66.66709	0.2
67.05515	0.2
70.06590	2.3
70.93665	0.4
70.94019	0.2
72.08139	0.7
74.06081	0.2
81.07027	0.2
84.04482	0.3
84.08135	1.4
85.02901	0.3
86.09704	1.7
87.05568	0.2
87.10006	0.2
88.04009	0.2
91.05490	0.3
91.16924	0.2
94.04057	1.6
95.08582	0.2
96.05607	0.3
103.05407	0.2
104.10743	0.4
107.04956	1.6
108.04359	0.2
109.05103	0.2
110.07147	0.4
112.05074	0.6
116.07075	0.2
120.08077	0.8
121.05119	0.2
123.06690	1.1
124.99990	0.4
129.10239	0.7
133.05083	0.3
136.07547	0.2
148.06117	0.2
150.07745	100.0
151.06117	0.2
151.08182	0.8
152.08171	0.2
159.09230	0.2
161.97049	0.2
184.07359	1.9
185.07683	0.3
241.84401	0.2
249.10922	1.8
277.10446	0.9
282.11972	4.9
283.13315	0.2
297.09171	0.2
417.13388	9.0
418.13577	0.2
474.59991	0.2
541.79425	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1238
Annotation	Pratensein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03941	1.0
55.01873	1.1
55.05495	0.2
57.03431	0.9
61.02919	0.8
64.41968	0.2
67.05505	0.2
68.99774	0.7
69.03074	0.3
69.03425	4.7
69.96353	0.3
69.96764	0.5
70.06592	1.3
71.04979	0.6
72.08131	0.3
73.02911	1.0
76.02202	0.4
79.05467	0.2
81.03415	5.4
83.01361	0.2
84.04492	0.3
84.08117	0.5
85.02898	7.5
86.09703	0.7
87.00826	3.2
89.06005	0.2
91.03941	0.5
91.05462	0.6
95.04958	0.5
97.02880	2.9
99.04453	1.8
103.05413	0.2
105.01862	2.0
105.03337	0.2
107.04273	0.3
107.04955	3.0
108.05284	0.3
109.02876	4.3
110.07156	0.2
111.04439	0.2
115.03946	0.2
117.01831	0.7
120.08102	0.5
121.02862	1.9
123.04406	0.3
124.01542	0.4
125.02333	0.2
127.03907	5.7
129.01826	0.5
129.10263	0.2
133.02864	0.3
137.05954	0.6
141.05470	0.2
145.04958	1.8
147.02896	0.3
147.04381	0.3
151.03889	0.7
157.08490	0.2
159.02881	2.6
167.03398	2.1
179.03415	1.0
179.04770	0.3
184.05128	0.3
191.07071	0.2
197.04477	0.4
199.07451	0.3
212.04688	0.5
213.03914	0.3
217.04941	0.2
227.07033	0.8
231.04839	0.8
245.08107	0.3
247.07483	0.2
255.06499	0.5
257.04437	0.5
258.05212	4.8
272.06735	0.6
273.07468	0.3
286.04706	3.9
295.20480	0.2
301.07040	100.0
302.07428	0.7
537.01593	0.2
549.20709	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.1
56.05029	1.1
57.07046	0.6
58.06601	1.2
60.08165	18.0
61.02025	0.6
63.63504	0.5
65.15054	0.5
67.05506	2.8
67.05788	0.5
69.07064	1.0
70.06599	0.8
71.03226	1.2
71.03603	1.0
71.07374	8.4
72.94519	0.6
79.05491	1.3
81.07055	2.8
86.09705	50.7
95.08595	2.7
98.98454	4.1
104.10743	100.0
109.10162	1.0
125.00006	29.1
184.07343	94.9
188.68501	0.6
247.52567	0.6
258.11072	1.4
383.47610	0.6
417.26486	0.6
530.36121	9.1
548.37256	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.124
Annotation	Luteolin 4'-methyl ether 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03738	0.1
53.03946	1.2
54.03535	0.1
55.01664	0.1
55.01869	1.0
57.03432	0.8
61.02926	0.9
68.99783	0.7
69.03426	4.9
70.19242	0.3
70.19618	0.2
71.01355	0.1
71.04987	0.6
73.02902	1.1
79.05492	0.1
81.03414	5.2
83.01334	0.2
85.02900	7.6
87.00826	3.7
91.03930	0.3
95.04953	0.2
97.02888	2.9
99.04449	1.8
105.01863	1.9
105.03371	0.3
105.25064	0.1
107.04954	1.3
109.02876	4.8
115.03912	0.2
117.01855	0.8
118.04170	0.2
121.01993	0.1
121.02856	1.8
123.00743	0.1
123.04403	0.3
124.01561	0.5
125.02345	0.3
127.03909	6.0
129.01820	0.5
133.02869	0.3
134.03619	0.1
135.04446	0.1
139.33490	0.1
141.05389	0.2
145.04947	1.7
147.02852	0.3
147.04398	0.2
151.03905	0.7
159.02882	2.6
166.04997	0.1
167.03391	2.7
171.04352	0.1
179.03378	1.0
197.04414	0.4
197.05989	0.1
199.07515	0.4
212.04771	0.4
213.03804	0.1
217.08516	0.1
227.07062	0.8
230.05862	0.1
231.04947	0.6
240.04257	0.1
241.04944	0.2
245.08186	0.4
255.06514	0.5
257.04391	0.5
258.05222	5.5
272.06866	0.7
273.07620	0.3
286.04700	4.3
300.06201	0.1
301.07037	100.0
302.07373	1.2
327.53046	0.1
343.08142	0.2
361.60242	0.1
415.90381	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.371
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	0.8
60.08161	7.4
61.60695	0.4
65.58917	0.4
67.01982	0.4
67.05506	0.6
71.07362	3.8
71.58965	0.8
80.03135	0.3
81.07050	0.9
86.09705	34.0
98.98456	2.7
104.10754	3.0
112.61076	0.4
124.99997	21.6
143.01045	0.5
184.07336	100.0
185.07738	0.5
216.91101	0.4
219.74275	0.4
222.89297	0.4
518.64801	0.4
530.35779	1.5
548.37195	1.4
574.70752	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.6
56.05019	0.7
57.98037	0.3
58.06586	0.4
58.20611	0.3
60.07884	0.5
60.08165	6.4
67.05517	0.3
70.06580	1.2
71.07378	3.1
71.20650	0.7
71.34653	0.2
72.08152	0.5
81.66333	0.3
84.08109	0.4
84.99586	0.3
86.09706	31.5
91.05463	0.6
93.07025	0.5
95.04974	0.4
95.08586	0.3
98.98480	2.8
103.05488	0.3
104.10742	5.6
107.04952	4.0
108.05296	0.6
121.02805	0.5
121.06516	0.5
125.00002	20.4
131.04895	0.3
143.00969	0.3
145.06342	0.3
154.94051	0.3
157.06494	0.3
163.13141	0.3
172.95204	0.5
184.07339	100.0
185.07610	0.6
267.10211	0.3
351.18396	0.4
487.17566	0.5
530.28613	0.9
548.29883	1.6
551.01013	0.4
564.03149	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.4
55.05503	27.1
57.03427	21.7
57.07056	10.0
61.02912	8.3
67.05497	83.6
69.07054	36.0
70.04055	7.8
71.60052	15.4
72.22543	6.9
75.35862	7.6
79.05487	80.5
81.03400	11.7
81.07050	81.7
82.68541	7.4
83.04985	9.9
83.08604	26.9
85.02888	18.8
86.09650	9.8
91.05473	65.2
93.01357	7.5
93.07037	81.8
94.15723	9.0
95.04956	19.4
95.08621	62.8
95.67749	7.8
97.02852	10.2
97.06554	13.7
97.10166	10.6
99.08100	11.6
105.07036	64.3
107.04939	23.0
107.08594	55.8
109.06494	16.4
109.10145	29.5
111.08088	12.5
117.06997	16.1
119.08591	51.9
121.10146	42.9
123.08118	11.6
124.04015	8.3
125.95845	8.3
129.06996	16.3
131.08563	42.6
133.10155	39.1
135.08069	14.1
135.11674	25.3
143.08517	9.3
145.10115	27.1
146.10428	7.9
147.11673	31.0
149.13289	14.4
157.10028	14.1
159.08138	8.0
159.11684	20.1
161.13266	26.2
165.12680	10.2
171.11650	9.8
173.13161	10.5
184.07338	24.8
187.14861	15.3
190.30392	8.2
192.93719	9.4
205.15941	7.6
219.17470	10.6
229.14372	14.5
241.19475	22.3
259.20575	56.9
269.17538	11.2
277.21564	63.6
319.03827	9.7
351.25302	100.0
418.54871	7.6
454.71121	8.1
548.32886	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	548.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18207	0.5
52.61201	0.6
53.54350	0.5
54.32462	0.5
55.05538	0.7
56.05040	1.0
57.03441	1.0
58.06589	1.4
60.08164	17.4
60.64846	0.5
67.05505	0.8
69.84442	0.6
70.06598	1.1
71.04138	1.5
71.07375	6.1
79.05489	1.5
81.07040	0.6
86.09706	52.9
91.05489	1.8
93.07057	0.8
98.98487	4.2
104.10743	97.7
105.11053	1.3
107.04949	6.5
117.07017	1.0
119.04947	0.8
125.00002	26.7
131.04924	0.9
131.08554	0.7
138.92180	0.6
145.06534	0.7
156.18784	0.6
163.01514	0.6
174.58394	0.6
184.07339	100.0
185.07755	0.9
214.84843	0.7
255.60655	0.7
258.11118	0.8
301.33844	0.7
306.97400	0.6
343.14392	0.6
376.63620	0.6
440.29541	0.7
512.27832	4.3
530.28821	23.9
531.28925	1.1
542.60236	0.7
548.29480	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53292	0.3
55.05495	0.5
56.96550	1.1
57.03421	0.4
58.06364	0.3
58.06609	0.6
59.07374	0.3
60.08164	7.3
67.05499	0.4
70.06593	0.8
70.72527	0.7
71.07378	3.4
71.29230	0.3
79.05489	0.5
84.08150	0.5
86.09705	32.0
91.05453	0.7
93.07061	0.6
94.96219	0.3
98.98468	3.0
104.10748	5.9
105.07069	0.3
107.04942	1.5
107.08603	0.3
108.05296	0.4
125.00005	20.7
129.07034	0.3
131.04938	0.5
131.08580	0.6
136.07458	0.3
143.01030	0.4
147.08011	0.3
184.07338	100.0
185.07686	1.0
231.16754	0.3
242.78450	0.3
258.10870	0.4
321.19992	0.3
341.10315	0.4
343.12198	0.6
359.11679	1.0
369.10272	0.5
377.12405	0.5
387.11154	2.6
405.12149	4.6
410.12735	0.3
428.13959	0.4
438.93011	0.3
530.28833	2.8
548.29755	1.0
549.16583	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.3
56.05039	0.5
58.06613	0.4
60.08162	6.6
66.57195	0.2
69.03447	0.2
69.07070	0.3
69.35262	1.6
70.06587	0.4
71.07371	3.0
78.92543	0.2
79.05473	0.3
81.03452	0.2
81.07036	0.4
82.34167	0.2
84.08134	0.2
86.09702	33.9
87.10035	0.2
91.05496	0.3
92.55966	0.2
96.31055	0.2
98.98461	3.1
104.10737	4.6
107.04938	0.6
125.00004	23.1
143.01077	0.4
161.42879	0.2
172.95157	0.2
184.07335	100.0
185.07700	0.7
258.11105	0.3
286.62436	0.2
326.41135	0.2
374.10291	0.2
530.28510	0.9
548.29706	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	548.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	1.3
55.05510	2.0
56.05021	1.6
58.06593	1.7
60.07875	1.5
60.08163	18.5
67.05502	2.0
69.07047	1.0
70.06583	3.1
70.29662	1.8
70.30047	2.0
71.07368	7.5
72.08135	1.3
79.05489	2.4
81.07067	1.5
83.08620	1.4
84.08116	1.6
86.09705	51.2
91.05449	2.6
93.07051	0.8
95.04948	1.7
97.10146	1.2
98.20848	1.1
98.98457	3.9
104.10746	100.0
105.07046	1.1
107.04941	3.6
107.08579	1.2
109.10126	1.3
119.08601	1.2
125.00002	30.4
133.10143	1.3
184.07346	91.8
185.07703	1.0
206.77255	1.1
258.11044	1.0
469.12698	1.0
530.28821	5.8
548.15698	0.9
548.29767	20.2
549.29877	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96573	0.3
59.04991	0.5
61.02903	0.3
62.16125	0.2
65.23376	0.2
69.03428	0.5
69.07061	0.3
69.32590	0.4
69.32991	1.9
70.06575	1.5
72.08148	0.3
73.02917	0.6
73.06550	2.1
81.03419	0.3
84.04485	0.3
84.08139	0.7
85.02905	0.4
86.09717	0.4
87.03916	0.3
87.04465	11.8
89.06025	100.0
90.06398	0.3
91.07600	0.6
97.02853	0.5
102.05592	0.3
107.04969	1.3
107.07060	5.0
110.07154	0.3
113.05991	0.3
115.07578	0.2
117.09138	1.3
120.08092	0.5
130.08603	1.2
131.07036	3.3
133.08592	52.9
134.08893	0.3
135.10100	0.3
158.00992	0.2
159.10220	0.2
161.11568	0.3
164.04799	0.2
175.09659	1.4
176.96799	0.3
177.11212	11.0
196.10194	0.2
217.07439	0.3
221.13800	1.2
236.49831	0.3
239.14812	0.5
241.07452	0.6
259.08588	1.6
275.05685	0.4
277.09421	0.3
301.07172	0.4
303.11023	0.4
535.42780	0.2
547.34906	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05435	1.7
56.04972	1.4
57.36488	0.5
60.04442	1.9
60.05565	7.1
60.05896	1.1
68.04987	0.6
69.06991	1.7
69.07342	0.6
70.02880	1.3
70.06502	52.2
71.04929	0.9
71.06828	1.6
71.07199	0.6
71.57890	0.7
71.58385	0.7
72.08061	7.2
74.06005	1.4
78.07987	0.6
79.37656	0.6
81.03346	1.0
82.06516	0.9
84.04404	4.6
84.08042	37.7
85.02814	1.7
86.09603	15.9
87.05501	0.7
87.09960	0.8
90.60632	0.6
91.05418	0.9
96.08029	1.0
97.02831	1.2
98.05978	0.6
98.09626	0.7
101.07050	0.8
102.05487	1.2
107.04967	2.9
110.05927	1.7
110.07160	3.3
111.09180	0.8
112.07603	73.3
112.08692	6.0
113.07020	1.9
113.07811	1.2
114.05434	0.8
114.09095	1.5
114.10189	1.9
115.08575	2.0
116.07082	7.8
118.38226	0.7
119.04854	1.0
120.07977	2.2
123.09130	0.7
124.07518	0.8
126.09033	1.4
127.05006	0.7
129.10255	5.1
130.04907	1.2
130.09659	2.6
133.06345	1.8
136.07462	2.9
136.08502	1.2
137.06976	0.7
139.08568	1.2
140.06934	0.8
141.10167	1.0
142.08531	2.5
147.07666	0.8
151.08501	0.7
154.08557	1.0
156.11249	1.3
157.10736	0.7
158.09267	5.5
166.08592	0.7
175.11899	25.3
179.15439	9.9
181.10818	1.1
181.13252	1.9
183.14923	4.1
189.28761	0.6
193.13351	0.6
195.14825	0.7
196.09596	1.4
197.16415	1.3
198.11185	1.1
199.11824	1.1
204.34596	0.7
207.14943	6.4
209.12729	0.7
211.14322	1.1
214.10657	3.3
225.15947	6.4
232.11795	6.8
235.14282	2.5
253.16658	0.7
254.14813	0.7
271.17645	0.7
288.20197	2.3
312.20258	0.8
314.18201	3.4
385.25522	8.3
386.27267	0.6
397.25577	1.6
409.25461	7.1
410.23929	1.4
427.26648	100.0
428.26871	2.6
449.36047	0.7
456.75677	0.6
469.27817	1.2
511.28815	2.7
529.29797	6.0
547.30902	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.2
55.01874	18.4
55.05510	3.1
56.96577	2.1
57.03434	3.7
65.03927	2.2
67.05495	3.5
69.03434	2.8
69.52888	14.7
70.06597	10.8
78.17336	2.0
79.05492	7.4
81.07040	3.6
84.08126	4.8
86.09685	10.8
91.05476	53.5
93.07047	5.2
95.04977	9.8
95.08574	1.9
103.05471	8.9
104.10743	5.7
105.07032	12.6
107.04957	100.0
107.08611	3.2
109.06491	2.9
110.07148	2.8
114.50227	2.0
115.05434	14.4
116.06246	3.0
117.07021	15.5
119.04938	28.9
119.08572	3.7
120.08096	2.7
121.02873	7.6
121.06499	18.4
125.00004	3.9
128.06226	12.6
129.07016	26.6
129.10193	2.9
131.04936	61.0
131.08566	30.2
133.06485	16.8
133.10109	1.9
135.08032	2.6
141.06979	14.5
143.04910	4.8
143.08617	3.4
144.05696	9.2
145.06471	34.4
147.04413	6.0
147.08052	29.6
149.05971	5.6
149.09619	8.0
152.06187	4.8
153.06973	7.8
154.07632	2.1
155.04936	5.4
155.06104	2.0
155.08528	7.3
157.06482	32.5
157.09999	2.9
159.06830	4.3
159.08055	49.6
161.06024	7.5
161.09616	10.9
163.07513	3.3
165.07022	16.9
167.08588	10.9
168.05679	2.6
169.06445	18.8
170.07297	2.7
171.04393	9.4
171.08054	11.6
173.05994	13.0
173.09659	4.6
175.07512	4.2
177.05434	2.8
178.07782	6.7
179.08553	8.3
181.06491	14.3
182.07123	3.0
183.04451	3.3
183.08046	21.6
184.07330	10.7
185.05981	19.3
185.09605	13.6
187.07556	3.1
189.06961	4.0
191.08647	3.3
193.06560	2.7
195.08054	24.0
197.05983	15.8
197.09634	4.2
199.07529	24.8
202.07788	6.8
203.08598	3.1
205.06540	6.0
206.07321	3.3
206.66739	2.1
207.08096	12.9
208.08916	2.2
209.05954	8.1
210.06799	5.4
211.07524	28.1
213.09103	18.1
215.08649	3.7
218.07280	6.1
219.08055	14.6
220.08849	3.1
221.06033	5.4
221.09625	4.7
223.07539	28.1
224.08324	5.2
225.09117	14.4
227.10603	2.8
229.10146	2.6
230.02388	2.0
231.08038	11.0
232.08774	5.0
233.09662	6.0
234.06743	7.3
235.07507	20.9
237.09129	10.7
243.08023	3.6
244.09033	4.3
245.09697	4.4
247.07600	12.3
248.08275	7.3
249.09019	9.8
250.09898	3.0
251.10612	3.3
255.08067	4.2
256.08838	2.5
257.09705	3.7
260.08344	4.6
261.09131	10.1
264.16946	2.0
268.08740	4.7
269.09738	3.6
271.07584	2.6
271.11481	2.2
272.08295	3.0
273.09103	7.5
274.09979	2.9
275.10648	7.1
279.08072	2.9
281.09668	5.9
282.10538	2.6
283.11066	2.7
284.08380	3.4
285.09174	6.5
287.10678	6.3
293.09525	4.6
294.10437	3.7
295.11276	3.9
297.09204	5.9
298.09750	2.7
299.10727	7.8
301.12259	3.3
305.09552	6.7
306.10370	2.9
307.11276	4.8
309.09015	2.9
310.09943	3.7
311.10736	6.1
313.08643	2.9
313.12036	4.8
314.09396	2.4
315.10226	6.7
317.11710	8.1
318.10431	4.3
319.10928	2.8
321.09073	5.9
321.26151	2.3
323.10706	7.9
324.11472	3.3
325.11951	3.7
327.10083	5.3
329.11798	4.4
333.09061	3.2
334.10077	3.6
335.10706	7.3
336.11618	2.9
337.08691	2.8
337.12219	7.4
338.09149	2.7
339.10135	5.5
339.13919	3.2
340.10913	2.8
341.11719	11.5
343.13092	4.2
344.13434	2.6
347.10791	4.6
348.11298	2.5
349.12158	3.9
351.10168	6.2
351.13950	2.6
353.11874	14.9
355.13272	15.1
357.15005	9.6
359.12570	6.7
362.09018	2.7
363.10016	4.3
363.14014	2.5
365.11780	6.5
367.13412	9.1
369.11197	5.2
369.15228	2.9
371.12732	16.0
377.11655	4.0
379.09131	4.0
379.13321	8.8
381.10968	12.6
381.15085	7.0
383.12759	7.2
391.13251	2.8
393.15228	9.9
395.12656	6.7
405.14679	4.3
447.15717	2.5
459.16086	3.2
469.14102	2.9
473.17465	5.7
485.17249	3.2
487.19556	9.9
488.16006	4.9
489.20624	5.9
493.18121	3.1
499.19046	33.3
501.20929	10.0
511.19101	23.9
517.20117	31.0
529.12067	2.7
529.20062	55.3
547.21149	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	547.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01859	3.1
56.64010	0.9
65.03951	4.6
65.90291	0.9
67.05507	1.5
70.06585	3.7
71.59471	1.6
72.08133	1.0
79.05479	2.3
81.03417	1.4
86.09690	2.9
91.05478	10.7
93.07036	1.9
95.04960	3.1
103.05456	4.8
104.10738	1.4
105.06985	4.9
107.04952	100.0
111.04446	4.3
115.04783	0.9
115.05444	5.6
116.06300	1.2
117.07016	8.3
118.02626	0.9
119.04951	2.4
121.02865	84.8
121.06470	4.8
123.04404	1.4
128.06215	4.7
129.06993	17.2
131.04933	11.8
131.08563	10.4
131.45769	1.0
133.06482	8.8
135.04399	1.5
141.06998	1.9
143.08615	1.5
144.05681	1.1
145.06485	32.6
147.08015	7.3
149.05988	1.1
152.06258	1.3
153.07024	2.2
155.06017	1.2
155.08556	1.9
157.06488	23.2
159.08035	12.2
161.06001	1.4
165.06990	3.4
167.08571	1.7
169.06516	3.7
171.08070	3.1
173.05978	3.1
175.07549	4.9
178.07713	1.9
179.08542	1.8
181.06407	4.7
183.08127	3.3
184.07327	2.6
191.08627	1.0
194.07320	1.5
195.08124	4.6
197.06050	4.4
197.09688	2.9
199.07487	5.3
203.08640	1.6
207.08051	6.4
209.06117	1.2
209.09685	1.0
210.06760	2.6
211.07521	19.5
213.09163	4.9
219.08134	2.7
221.09621	3.3
223.07581	5.2
224.08156	1.5
225.09018	6.7
226.09882	1.8
231.08138	3.6
233.09625	2.1
235.07552	3.7
237.09134	2.2
247.07547	2.1
248.08496	1.3
249.09045	6.2
250.09926	1.9
259.07547	1.4
260.08362	1.1
260.35492	0.9
261.09158	2.8
263.10861	1.5
265.08694	2.8
271.11249	1.2
273.08905	1.4
285.09079	1.2
298.68198	1.1
310.09998	1.6
311.10812	2.1
315.10275	1.4
319.10968	1.3
321.12482	1.2
322.09949	1.3
323.10706	2.0
324.11404	2.1
329.11786	2.6
329.15616	1.5
337.12338	2.9
339.13828	2.6
341.11810	1.1
343.13516	1.5
351.10049	1.7
351.14172	1.1
353.11771	3.0
355.13345	3.2
357.14853	37.5
365.12064	2.0
367.13623	1.4
367.18094	3.2
369.14935	5.2
371.12790	4.2
381.15128	2.4
393.14783	1.6
405.15036	2.3
411.15771	3.1
487.18985	1.8
499.19260	2.3
511.19135	6.7
511.25980	1.7
511.73077	1.2
517.20074	16.0
529.20166	11.7
547.21149	32.1
547.29089	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16755	0.4
55.05507	0.9
56.05022	1.3
58.06608	1.6
60.08162	15.8
62.42144	0.3
62.88180	0.3
67.05505	2.8
67.08389	0.4
67.82207	0.4
69.07041	0.7
69.49107	1.3
69.49532	1.8
71.07370	6.4
77.07819	0.3
79.05471	1.2
80.61901	0.3
81.07044	1.6
83.08636	0.5
86.09705	48.0
91.05482	0.9
93.07042	1.1
95.08594	1.5
98.21453	0.7
98.98471	4.3
104.10741	90.1
105.07047	0.6
107.08581	0.9
121.10182	0.4
125.00001	24.7
127.48658	0.4
127.79707	0.4
143.01012	0.5
163.01604	0.6
182.32500	0.4
184.07338	100.0
258.11005	1.1
363.29053	0.5
528.34406	6.8
546.35547	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	546.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.4
56.05041	0.7
58.06610	0.4
60.07874	0.4
60.08165	5.9
67.05500	1.2
69.07070	0.3
70.79276	0.5
70.79634	0.4
71.07365	2.8
79.05479	0.4
81.07040	0.5
86.09705	33.7
93.07078	0.5
98.98472	3.4
104.10741	3.6
125.00002	22.6
136.10089	0.2
143.01033	0.6
160.48740	0.2
166.02614	0.4
172.95236	0.5
184.07338	100.0
185.07649	0.4
190.96266	0.4
258.11017	0.4
308.21597	0.3
337.20502	0.3
381.75027	0.3
405.29834	0.5
414.41299	0.3
465.52548	0.3
470.65286	0.3
473.19577	0.5
528.34027	1.2
546.35345	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	0.5
58.06594	0.4
58.17392	0.3
61.49201	0.3
61.85965	0.2
68.05017	1.2
70.06584	39.7
70.50907	0.5
70.51275	0.9
72.07749	0.3
72.08150	5.1
73.02922	0.5
84.04501	0.8
84.08133	5.0
85.02905	0.5
86.06083	0.5
86.09706	2.1
87.04459	0.6
88.07632	1.9
89.06018	5.9
92.39966	0.3
96.08126	1.1
98.09670	0.5
107.04948	1.2
107.07076	0.3
110.07169	0.5
114.09156	30.6
116.07083	0.4
129.10155	0.3
132.10210	1.8
133.08582	0.4
136.07491	0.3
140.10696	0.3
158.11743	0.7
176.11282	0.6
176.12798	9.3
176.14255	0.6
202.14383	0.7
220.15436	3.9
264.18036	5.1
308.20660	3.4
352.23282	2.6
396.25836	0.9
440.28506	1.2
452.92880	0.3
546.34796	100.0
547.35077	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.2
55.05497	5.0
57.03422	5.0
57.07090	2.7
59.63581	1.3
62.06074	2.0
67.05508	7.0
69.07070	8.5
69.95551	3.5
69.95963	2.8
71.04993	1.2
71.08622	5.9
79.05476	5.2
81.07053	14.7
83.08612	3.3
85.06536	1.6
91.05458	5.6
93.07046	8.7
94.47838	1.0
95.04944	1.1
95.08605	10.9
97.06505	2.1
98.98463	4.0
99.08116	2.7
105.07024	7.9
106.97019	1.2
107.08581	7.4
109.06532	8.3
109.10131	4.7
111.08113	1.1
119.08582	11.6
121.10126	7.1
123.08069	18.2
123.11665	3.1
131.08571	2.8
133.10144	9.9
135.08043	8.6
135.11615	2.5
137.13268	1.5
145.10144	4.1
147.11688	4.5
149.09654	2.6
149.13237	2.5
151.11218	1.5
157.10098	1.7
159.11668	3.5
161.09555	1.2
161.13156	2.0
165.12718	1.7
167.14339	1.6
173.13136	1.4
175.14850	7.6
177.12740	3.5
177.16377	1.5
179.14302	21.9
185.13321	1.7
191.14319	1.5
193.15869	2.3
197.80836	1.1
205.15875	3.6
216.06337	1.4
233.18913	1.2
263.19998	1.8
275.20166	1.6
289.21692	6.1
293.21143	2.4
303.26666	1.9
319.22678	1.5
331.26315	13.1
347.25745	1.7
349.27341	7.9
357.27847	1.6
374.30475	2.8
375.28995	2.2
387.28790	7.6
405.30008	100.0
406.30338	2.8
485.27048	1.7
503.27625	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	546.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.8
55.01872	0.9
55.05511	6.3
56.29691	0.7
56.96556	2.4
57.03434	6.9
65.03928	1.6
67.05506	30.7
69.07070	7.2
70.06579	0.8
71.04997	1.1
71.58908	0.7
71.59269	0.9
71.89207	0.7
79.05074	1.0
79.05498	14.5
81.06584	1.4
81.07057	25.4
83.04988	0.9
83.08605	2.7
91.05482	8.9
93.07039	15.5
95.04952	2.0
95.08605	18.8
97.06540	1.4
97.10169	0.8
99.56651	0.8
104.73375	0.7
105.07018	5.0
107.08597	7.4
109.06508	1.4
109.10146	7.6
114.09170	27.6
114.12814	1.7
117.07010	1.4
119.08551	4.0
121.10167	5.0
123.11716	1.8
131.08530	1.8
133.10114	2.6
135.11687	2.2
145.10156	0.9
147.11656	1.2
149.13289	0.9
154.94153	4.1
159.11679	1.2
161.13266	0.8
172.93831	1.4
172.95244	18.2
190.96283	14.0
195.96790	1.5
210.97534	2.6
212.06805	7.8
213.97949	0.8
214.99063	0.8
228.97862	5.5
246.98900	2.4
261.22058	1.0
290.75058	0.7
317.17661	3.4
318.18198	8.9
335.19098	2.7
335.25793	100.0
336.19336	4.6
336.26184	3.3
454.17682	5.4
471.18158	1.7
472.18546	11.5
490.19647	2.6
495.20068	1.6
546.22247	7.7
546.34680	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	546.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.8
55.01867	3.9
55.05505	17.8
56.96557	2.1
57.03421	7.5
57.07076	6.0
62.06084	19.1
67.05164	3.5
67.05498	39.2
69.03417	3.7
69.07068	23.1
70.06580	2.7
71.04983	4.2
71.08614	8.4
79.05494	25.0
81.03411	12.6
81.07057	41.8
82.07388	2.9
83.04973	5.9
83.08605	9.6
85.02892	3.8
85.06542	5.7
91.03960	2.1
91.05476	23.7
93.07038	30.2
95.04938	8.6
95.08601	21.5
96.08888	2.2
97.02874	3.4
97.06515	8.8
97.10145	5.8
98.21429	5.7
98.98464	38.2
105.07025	29.6
106.07351	3.3
107.04932	6.8
107.08585	25.5
107.16013	1.8
107.16897	2.0
109.06499	15.8
109.10154	21.1
111.08091	4.8
113.88554	2.0
117.07001	8.6
118.07337	1.9
119.08575	24.1
121.06490	4.5
121.10129	12.9
123.08067	22.6
123.11681	2.8
125.09616	5.9
129.06989	5.8
131.08554	14.3
133.10110	19.8
135.08066	15.4
135.11679	8.8
137.09520	2.7
143.08557	4.4
145.10118	11.4
147.11696	13.1
149.09619	6.5
149.13234	5.8
151.11157	2.0
157.10130	5.8
159.08176	2.6
159.11659	7.2
161.13260	3.8
163.11151	4.1
163.48177	2.0
165.12805	3.8
171.11699	4.6
173.02126	5.7
173.11774	2.5
173.13278	4.5
175.11047	2.7
175.14798	13.6
177.12741	6.5
179.14291	35.3
187.14735	2.3
189.16396	2.1
191.14233	2.6
193.12215	7.8
193.15819	2.7
203.14325	2.1
205.15822	9.7
211.13223	6.1
216.06319	6.0
229.14308	5.1
242.20042	2.7
259.20554	3.5
260.20816	2.4
263.20074	2.9
267.15866	5.6
269.17691	2.0
271.20599	2.9
275.20163	2.5
285.17062	2.4
288.20200	2.4
289.21524	6.1
303.26801	6.0
319.22736	5.2
331.26303	53.8
349.27444	7.8
364.14154	3.7
374.30527	7.8
387.28787	8.1
405.29990	94.1
423.31183	2.7
485.26605	65.5
503.27655	100.0
528.30688	17.1
528.37567	7.7
546.31262	20.5
546.38470	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	546.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	0.6
57.03434	0.4
58.06345	0.2
58.06625	0.5
58.57943	0.2
59.07402	0.2
59.35064	0.1
60.08164	7.4
67.05505	0.3
70.06569	0.3
70.25813	0.8
71.07379	3.8
75.66421	0.2
86.09703	34.4
87.63760	0.2
93.07040	0.3
95.04929	0.2
95.08627	0.2
98.98465	3.2
104.10742	3.6
104.11409	0.2
107.04961	0.6
125.00000	23.8
143.01054	0.6
166.02713	0.2
184.07335	100.0
185.07639	0.4
258.10913	0.3
341.86319	0.2
414.49481	0.2
528.27094	1.1
546.27979	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	1.8
57.03430	1.6
58.06604	1.3
60.08165	17.8
67.05492	1.4
70.06599	0.7
71.07383	6.6
71.08623	0.8
71.59554	1.1
74.38078	0.6
79.05485	1.2
81.07058	1.8
83.08625	0.8
86.09708	56.6
91.05473	1.7
91.08936	0.5
92.65501	0.5
93.07031	1.0
94.06776	0.5
95.08627	1.1
96.10099	0.5
97.49214	0.6
98.98473	6.1
99.08111	0.7
104.10746	92.1
105.07053	1.4
105.11092	0.7
107.04927	0.9
107.08607	1.0
109.06501	1.1
109.10160	0.9
119.08620	1.2
121.10143	0.9
123.08042	1.0
125.00005	31.4
131.08563	1.0
133.10147	1.6
135.08038	0.7
143.01028	0.6
147.11749	0.9
157.15866	0.5
175.14888	0.7
179.14320	2.3
184.07347	100.0
205.15855	0.6
213.94470	0.5
258.10968	1.1
289.21594	0.8
317.11816	0.6
331.26538	0.9
349.27399	0.7
387.29254	0.6
405.30020	7.9
528.27332	4.8
546.28247	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.4
55.01875	0.5
55.05503	0.6
56.05023	0.6
56.96547	0.8
67.05497	1.0
69.03424	0.8
69.07045	0.4
70.06576	2.3
71.59747	0.8
72.08144	1.9
79.05485	2.0
79.70963	0.5
81.03420	0.9
81.07046	1.0
82.06578	0.5
83.49060	0.4
84.04029	0.8
84.04498	12.0
84.08119	0.8
85.02897	1.8
86.09709	0.8
91.05456	1.5
93.07011	0.7
95.04965	2.6
95.06079	1.2
97.02911	0.5
97.06541	0.8
101.37724	0.5
103.44666	0.4
105.07036	0.5
107.04942	95.7
115.03230	0.4
115.05444	0.7
117.07019	0.6
118.06526	9.3
120.08090	0.6
120.27797	0.5
130.05113	3.6
130.06512	62.0
131.04907	0.6
132.08057	3.7
142.06459	1.8
143.07327	0.8
144.04424	0.8
144.08064	13.1
145.10168	0.6
145.46507	0.5
146.05994	53.2
154.06525	1.6
156.08069	0.6
158.05989	2.0
159.09148	6.9
160.07559	1.4
163.03821	0.6
170.05989	4.4
173.02296	0.8
180.07994	0.6
182.05899	0.6
183.54135	0.5
184.85371	0.5
188.07042	100.0
192.08011	0.5
200.07022	3.2
205.09705	22.9
206.09625	3.5
218.09703	0.7
220.07620	0.6
222.09134	6.3
225.10204	11.7
233.08301	0.8
234.09122	15.1
236.10689	9.9
245.68906	0.6
248.10652	5.2
252.10281	0.8
259.09671	1.1
265.13382	0.9
271.10663	1.9
294.11206	68.3
295.11450	0.7
302.85492	0.5
311.13855	43.9
317.11328	0.8
327.04990	0.7
331.14337	0.7
334.10004	0.8
334.13943	14.2
377.14655	1.5
400.15424	11.2
403.82211	0.5
417.17838	2.4
422.16907	2.0
423.15384	1.9
440.18143	30.6
546.22064	1.4
546.32385	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	546.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.8
55.05494	1.0
56.96551	1.1
67.05486	0.7
69.03411	0.9
69.07047	0.8
69.49545	6.8
70.06589	4.1
70.93396	0.7
72.08147	1.2
77.03905	1.0
79.05466	2.3
81.03405	1.1
81.07050	1.1
84.04494	13.3
84.08133	1.3
84.22929	0.9
85.02829	1.1
86.09679	2.2
91.05476	1.3
93.07029	1.3
95.04964	2.4
95.08574	0.8
97.02912	1.0
97.06532	1.5
105.07027	0.8
107.04945	97.4
108.05264	1.1
117.06963	1.0
118.06544	9.4
120.08131	1.4
129.06554	0.8
130.04941	2.4
130.06514	67.0
131.04875	0.9
132.08093	4.3
142.06493	1.7
143.07323	1.3
144.08076	12.2
146.05994	55.1
154.06503	2.0
158.05992	2.2
159.09174	8.5
160.07626	1.2
163.03955	1.0
170.06020	4.5
188.07050	100.0
200.07124	3.7
205.09711	21.8
206.09720	4.4
215.06879	1.3
220.07520	1.4
222.09131	6.4
225.10190	11.3
234.09134	15.6
236.10686	11.1
248.10701	5.1
259.09683	2.4
271.10754	2.5
275.05939	0.7
294.11212	66.9
311.13873	47.2
314.63104	0.8
331.14273	0.9
334.13901	15.4
342.14737	0.9
384.15051	1.4
400.15366	10.1
417.18097	3.3
422.17035	1.5
423.15390	2.8
440.18164	33.4
475.26013	1.4
546.22211	2.4
546.33026	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.8
55.01860	9.5
55.05506	32.6
57.03431	10.1
57.07064	4.9
65.03942	2.5
67.05502	78.6
69.03417	4.3
69.07071	21.1
69.37349	14.1
69.37759	4.7
71.04970	5.4
79.05489	46.7
81.03422	26.7
81.07052	63.2
83.04983	4.5
83.08608	21.8
85.06529	3.6
89.06017	4.1
91.05472	35.7
93.07039	42.8
95.04964	20.2
95.08602	45.8
97.06499	10.4
97.10166	27.7
103.55743	1.8
105.06361	3.6
105.07021	36.3
105.07677	3.4
107.04949	9.2
107.08578	33.3
109.06510	8.2
109.10150	29.7
111.08083	4.2
115.05397	2.2
116.33401	2.2
117.07021	14.6
119.08568	30.2
121.06503	10.9
121.10150	19.9
123.08051	7.1
123.11672	10.1
125.09621	21.1
128.06209	2.5
129.07001	9.3
131.05005	1.9
131.08546	26.5
133.06467	3.3
133.08644	2.5
133.10117	24.0
135.08066	6.9
135.11662	14.5
137.09616	5.2
137.13292	2.1
141.07011	4.0
142.07747	2.5
142.81714	2.1
143.08548	11.6
145.06485	2.5
145.10114	24.2
147.08034	4.3
147.11658	15.3
149.09590	4.2
149.13246	7.6
155.08603	4.3
157.10127	10.9
159.08015	3.9
159.11697	16.5
161.09677	2.6
161.13234	9.8
163.11194	2.8
163.14853	2.6
169.10185	4.6
171.11697	6.7
173.09605	2.6
173.13205	12.5
175.11145	3.6
175.14874	3.7
177.11302	1.9
179.10974	1.9
183.11714	4.3
185.13208	8.6
187.13258	3.3
187.14853	7.6
189.11253	11.3
189.12682	2.4
189.16344	2.6
193.12213	10.4
195.11737	2.9
195.13702	2.6
197.13199	4.0
199.14854	5.6
201.16316	3.7
201.67561	1.9
223.13268	2.7
227.12715	15.9
232.28668	1.8
243.21043	2.2
247.17043	3.6
249.14552	2.5
261.21985	11.0
267.15973	21.2
279.19592	2.1
283.24390	2.6
285.22058	4.7
287.20111	2.7
291.23111	2.6
299.20297	2.1
299.23718	3.4
300.45667	1.8
301.25232	22.9
303.22980	2.4
329.20975	2.4
335.25781	15.6
341.24744	2.0
359.25778	2.0
421.25922	3.7
435.27243	4.2
435.32593	6.3
453.33698	16.1
471.34735	14.4
509.36197	4.6
527.37305	64.7
545.38342	100.0
546.38995	2.2
568.84412	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.8
55.01860	9.5
55.05506	32.6
57.03431	10.1
57.07064	4.9
65.03942	2.5
67.05502	78.6
69.03417	4.3
69.07071	21.1
69.37349	14.1
69.37759	4.7
71.04970	5.4
79.05489	46.7
81.03422	26.7
81.07052	63.2
83.04983	4.5
83.08608	21.8
85.06529	3.6
89.06017	4.1
91.05472	35.7
93.07039	42.8
95.04964	20.2
95.08602	45.8
97.06499	10.4
97.10166	27.7
103.55743	1.8
105.06361	3.6
105.07021	36.3
105.07677	3.4
107.04949	9.2
107.08578	33.3
109.06510	8.2
109.10150	29.7
111.08083	4.2
115.05397	2.2
116.33401	2.2
117.07021	14.6
119.08568	30.2
121.06503	10.9
121.10150	19.9
123.08051	7.1
123.11672	10.1
125.09621	21.1
128.06209	2.5
129.07001	9.3
131.05005	1.9
131.08546	26.5
133.06467	3.3
133.08644	2.5
133.10117	24.0
135.08066	6.9
135.11662	14.5
137.09616	5.2
137.13292	2.1
141.07011	4.0
142.07747	2.5
142.81714	2.1
143.08548	11.6
145.06485	2.5
145.10114	24.2
147.08034	4.3
147.11658	15.3
149.09590	4.2
149.13246	7.6
155.08603	4.3
157.10127	10.9
159.08015	3.9
159.11697	16.5
161.09677	2.6
161.13234	9.8
163.11194	2.8
163.14853	2.6
169.10185	4.6
171.11697	6.7
173.09605	2.6
173.13205	12.5
175.11145	3.6
175.14874	3.7
177.11302	1.9
179.10974	1.9
183.11714	4.3
185.13208	8.6
187.13258	3.3
187.14853	7.6
189.11253	11.3
189.12682	2.4
189.16344	2.6
193.12213	10.4
195.11737	2.9
195.13702	2.6
197.13199	4.0
199.14854	5.6
201.16316	3.7
201.67561	1.9
223.13268	2.7
227.12715	15.9
232.28668	1.8
243.21043	2.2
247.17043	3.6
249.14552	2.5
261.21985	11.0
267.15973	21.2
279.19592	2.1
283.24390	2.6
285.22058	4.7
287.20111	2.7
291.23111	2.6
299.20297	2.1
299.23718	3.4
300.45667	1.8
301.25232	22.9
303.22980	2.4
329.20975	2.4
335.25781	15.6
341.24744	2.0
359.25778	2.0
421.25922	3.7
435.27243	4.2
435.32593	6.3
453.33698	16.1
471.34735	14.4
509.36197	4.6
527.37305	64.7
545.38342	100.0
546.38995	2.2
568.84412	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
55.01855	4.0
55.05256	2.2
55.05505	29.9
57.03437	7.5
57.07061	4.2
59.04992	1.3
65.03912	2.6
65.24783	1.4
67.05499	53.9
69.03406	3.5
69.07061	17.9
71.04981	4.1
71.44601	2.1
71.44940	1.6
79.05487	36.3
81.03416	21.9
81.07050	51.0
83.04964	5.5
83.08615	15.2
85.02882	3.0
85.06543	3.8
86.09705	1.9
89.06022	1.3
91.05473	33.3
93.07034	39.2
95.04958	17.3
95.08600	36.6
97.06496	6.0
97.10149	14.6
99.08087	1.3
103.05481	2.1
104.10713	4.4
105.07021	35.9
107.04955	2.8
107.08589	22.5
109.06514	5.9
109.10143	18.3
111.08091	5.5
115.05444	1.5
117.07008	9.0
119.08572	20.8
121.06448	5.7
121.10136	17.1
123.08060	5.9
123.11692	6.4
123.44353	1.3
125.09608	9.9
129.07002	9.1
130.07764	1.2
131.08560	22.2
133.06447	3.5
133.10098	18.9
135.08057	4.8
135.11656	11.4
137.09578	3.2
137.13208	3.8
141.07010	1.6
141.94884	1.3
142.07784	2.1
143.08539	7.1
145.06516	1.5
145.10103	17.5
147.08064	3.0
147.11658	13.8
149.09615	4.8
149.13228	6.2
151.11157	2.3
153.09061	1.9
155.08543	3.1
157.10117	11.9
159.08119	1.6
159.11670	12.9
161.13272	6.9
163.11140	3.0
163.14812	2.0
165.12759	2.5
169.10153	3.9
171.11694	5.3
171.75078	1.2
173.13231	9.1
175.11171	4.2
175.14806	3.2
177.12813	1.5
181.10094	2.0
183.11691	3.0
184.07344	5.0
185.13226	2.9
187.14833	3.6
189.11188	9.6
189.16470	1.5
193.12218	14.1
195.11667	1.8
195.13853	1.7
197.07260	2.7
197.13249	3.6
199.14861	2.7
201.12813	1.6
201.14757	2.8
203.18033	1.7
205.12248	2.0
209.13391	2.4
211.13252	8.8
211.14935	1.5
213.14594	1.3
217.67203	1.3
225.16461	1.8
227.12737	8.7
243.21211	1.7
261.22076	8.3
267.15851	15.1
271.20764	1.3
275.20145	1.8
277.21674	2.9
278.04974	1.3
279.23392	2.8
285.22128	2.2
287.20007	1.3
289.21695	2.3
295.22806	1.5
299.23560	2.1
301.25238	14.6
303.23114	1.7
315.23376	1.6
317.24585	1.7
329.21045	1.8
335.25708	12.1
345.23996	1.5
359.25739	2.7
417.31601	2.8
421.25967	3.3
435.32532	9.6
453.33664	14.1
471.34647	11.5
476.74780	1.6
509.36307	3.6
527.37286	56.5
528.37482	2.0
545.29437	3.9
545.38300	100.0
546.38171	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.3
55.01858	6.1
55.05255	2.9
55.05504	39.4
57.03436	11.0
57.07068	3.8
59.04987	1.4
63.75461	2.0
65.03933	2.7
67.05498	65.4
69.03424	4.8
69.07066	20.8
69.73143	3.2
69.73544	9.4
71.04988	5.3
73.56208	1.3
77.90724	1.4
79.05485	49.3
81.03404	24.3
81.07045	69.3
83.04978	7.8
83.08607	21.8
85.06547	3.7
87.04492	1.6
91.05473	41.2
93.07032	46.5
95.04964	23.1
95.07977	2.1
95.08590	42.7
95.09155	3.1
97.06532	7.2
97.10165	22.2
99.08073	2.6
105.07014	47.9
107.04936	7.4
107.08583	33.3
108.08923	1.9
109.06523	8.7
109.10142	24.1
111.08080	5.5
115.05437	1.9
117.06999	16.3
117.66374	1.6
119.04959	1.9
119.08564	32.1
121.06464	10.3
121.10124	20.4
122.05927	1.6
123.08080	5.0
123.11703	8.0
125.09603	20.7
127.11175	1.7
128.06218	2.0
129.06979	11.2
130.07814	2.0
131.08563	23.6
133.06517	2.9
133.10107	25.3
135.08046	8.3
135.11674	13.5
135.51828	1.6
137.09628	4.8
137.13249	1.9
139.11156	1.5
141.07019	2.2
142.07744	3.4
143.08534	8.7
145.06532	1.7
145.10109	23.2
147.08040	4.6
147.11662	15.6
149.09669	5.1
149.13268	7.2
151.11098	1.6
153.09163	2.3
155.08553	4.4
157.10139	10.5
159.08083	3.9
159.11717	13.3
161.09645	3.5
161.13240	8.6
163.11188	4.7
163.14861	3.6
165.12791	1.7
169.10118	6.1
171.10405	1.8
171.11629	7.7
173.09657	2.1
173.12010	2.5
173.13220	10.8
175.11180	3.6
175.14905	4.8
183.11714	5.4
185.13278	5.8
187.14799	6.6
189.11211	12.1
193.10710	2.5
193.12207	10.9
195.11720	2.5
197.13351	3.6
199.11348	1.6
199.14830	3.1
201.12817	2.4
201.16443	3.7
203.56860	1.4
205.12102	1.7
211.14908	3.0
213.16348	3.9
219.13611	1.8
225.16281	1.5
227.12781	13.7
243.16006	1.9
243.21132	3.1
247.17056	3.4
249.14799	1.8
261.22150	11.3
267.15872	22.2
273.18579	2.8
275.20175	1.8
279.23181	2.2
283.24194	3.2
285.22171	5.3
291.19543	3.5
299.23740	3.2
301.25150	22.6
303.23148	2.8
305.21368	2.1
317.24841	2.5
323.22534	1.8
329.20929	1.7
333.24695	2.2
335.25848	17.3
341.24567	2.7
343.22861	1.7
357.27933	1.7
359.25900	4.4
416.49823	1.9
421.26041	3.9
435.27621	3.2
435.32608	10.3
453.33569	16.6
471.34631	16.0
507.29803	1.7
509.36420	1.8
527.37219	60.1
528.37659	3.6
545.38354	100.0
546.38593	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.0
55.01865	10.4
55.05502	22.1
56.96566	8.8
57.03434	44.5
61.02929	10.2
66.82463	5.6
67.05501	73.0
68.74915	5.8
69.03438	6.7
69.07085	15.6
69.53580	52.5
69.93400	5.5
70.06586	18.2
71.04984	9.8
72.08144	6.4
79.05482	38.5
81.03408	23.6
81.07054	40.1
83.08620	8.9
84.04465	7.7
85.02893	16.1
85.06541	24.4
91.05462	34.9
93.07030	40.7
95.04962	62.7
95.08588	20.1
97.02860	9.1
97.06535	9.8
105.07016	27.2
107.04952	60.3
107.08587	34.4
109.02876	6.7
109.05827	9.2
109.06505	53.9
109.10135	21.4
109.49806	6.7
111.04430	7.7
111.08083	7.6
113.06004	77.6
115.27435	7.1
117.06989	7.0
119.08582	22.2
121.06484	23.8
121.10170	12.1
122.06837	8.0
123.08080	6.2
131.08578	17.9
133.10161	16.8
135.08060	46.3
135.11656	9.3
143.08536	11.5
145.10117	10.9
147.08043	7.9
147.11681	9.9
149.09602	9.5
157.10069	7.3
159.08089	7.0
159.11746	9.0
171.11633	8.4
173.11746	13.3
173.13184	8.0
184.07397	6.5
193.12292	6.8
223.06313	7.1
227.12605	7.1
240.91676	6.3
241.07242	6.4
273.18546	28.6
291.19531	93.4
309.16812	9.1
347.22168	10.8
350.73590	6.7
365.23257	100.0
501.33578	18.5
545.29230	12.7
545.37079	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	6.8
55.01864	14.6
55.05508	22.8
56.05044	5.8
56.96541	9.0
57.03437	41.7
57.07069	7.8
60.23222	5.9
61.02941	8.4
67.05501	83.8
69.03442	13.1
69.07060	18.0
70.04071	19.2
70.06583	18.7
71.04993	9.9
71.60034	12.9
73.02903	10.5
73.13434	5.7
79.05491	48.5
81.03407	27.6
81.07055	51.6
83.08640	10.9
84.08179	7.5
85.02901	21.3
85.06548	25.6
86.09686	10.6
89.06022	6.1
91.03940	8.5
91.05476	52.6
93.07034	39.2
95.04971	77.2
95.08590	30.3
97.02903	13.8
97.06525	13.0
105.07023	31.7
107.04958	33.6
107.08601	24.2
109.06506	60.9
109.10160	22.0
111.08093	12.9
113.06012	65.0
117.07018	16.9
119.08595	25.0
121.06508	12.3
127.03952	11.2
129.07005	9.9
131.04977	7.3
131.08607	28.3
133.06509	11.2
133.10139	13.2
135.08040	49.0
135.11676	14.6
143.08580	12.9
145.10114	20.5
147.08081	6.3
147.11720	7.3
149.09645	14.0
157.10068	12.6
159.08098	7.9
159.11726	12.4
161.09560	9.9
161.13138	6.2
217.15927	11.4
225.01775	7.5
229.14320	6.7
233.15498	5.7
273.18597	38.8
285.09949	7.2
291.19528	100.0
347.21979	22.1
365.23248	64.5
545.29529	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	545.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22861	2.2
50.60763	2.4
51.27184	2.1
55.05510	4.4
56.05026	4.5
58.06593	5.7
60.08163	18.0
67.05489	8.1
71.07372	14.9
71.58942	3.0
79.05495	5.2
81.07050	6.6
84.56645	2.2
86.09704	87.9
87.10019	2.7
93.07027	7.9
93.38894	2.2
95.08626	3.1
98.98463	7.0
104.10738	100.0
107.08626	3.0
118.82667	2.5
125.00024	30.7
139.88545	2.4
163.01485	4.2
171.62355	2.7
181.02664	4.3
181.90248	2.4
184.07347	89.7
184.09006	4.3
204.31590	2.7
214.94022	9.4
220.03957	3.4
226.93864	3.4
240.09998	10.0
252.95627	3.9
273.28668	2.2
315.83893	2.7
332.15189	3.6
333.15121	22.5
334.77271	2.5
335.25854	3.4
383.00333	2.5
425.95416	2.5
500.31256	20.8
501.31335	4.4
516.21643	9.9
518.32385	4.5
572.24207	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	545.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44858	1.3
56.96563	17.0
57.03449	2.3
63.16736	1.1
66.28324	1.2
67.05492	5.6
69.07053	2.3
71.08666	1.2
71.60055	2.0
74.97646	1.3
79.05491	2.8
81.07044	2.8
93.07049	2.7
95.08597	4.3
102.92603	1.6
107.08556	2.0
123.89723	1.3
128.98593	3.2
136.93118	6.5
146.99677	2.9
154.94164	27.7
155.03792	1.6
159.56227	1.7
165.00760	2.4
172.95239	100.0
181.59174	1.4
189.72841	1.2
190.96281	79.3
195.96870	9.7
198.96880	1.4
207.99786	1.5
208.97348	2.8
210.97850	20.7
213.97885	5.3
216.97800	1.6
228.97850	37.9
230.99496	2.2
231.60284	1.4
246.98929	20.6
251.99533	2.1
279.12720	1.3
285.00641	1.9
287.90335	1.4
307.62341	1.4
315.16299	1.4
317.17874	75.5
333.17545	3.2
335.18948	37.5
335.25830	5.4
353.20026	1.9
358.20474	9.5
391.21698	3.8
397.14279	3.2
425.47693	1.4
453.17200	40.5
471.18219	84.9
472.18738	1.5
489.19299	19.7
494.19830	9.0
545.21899	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.01838	0.9
55.05499	0.9
56.75514	0.6
56.96558	0.7
57.03412	0.8
61.02914	1.5
65.03938	2.8
67.05492	1.1
69.03428	3.2
69.07070	1.3
70.06231	1.2
70.06586	9.9
70.71762	1.4
71.04979	0.9
72.08173	3.2
73.02926	0.7
79.05481	2.3
81.03416	9.7
81.07044	1.1
83.08640	0.6
84.04480	1.9
84.08123	3.4
85.02899	3.8
86.09689	3.7
91.05419	0.8
93.07022	1.1
95.04956	5.5
96.06446	0.6
97.02878	5.7
97.06515	1.5
98.06036	0.8
99.04436	1.1
99.08119	0.6
103.05441	0.9
105.07047	0.7
105.76370	0.6
107.04947	57.3
107.08589	0.7
108.05303	0.7
109.02872	3.8
110.07148	1.2
111.04417	2.4
116.98566	0.7
119.08566	1.0
120.08091	3.4
121.02859	100.0
123.04427	0.6
127.03892	3.1
129.03119	3.4
129.10237	1.5
131.08528	0.7
132.13075	0.6
136.07545	1.1
137.05946	1.2
138.09184	0.7
139.03891	11.9
143.01027	2.4
150.07835	0.8
156.44296	0.6
157.04712	45.4
161.02274	0.7
161.05850	0.7
163.03914	1.1
173.02412	0.8
193.12407	0.8
197.36346	0.6
211.14499	0.6
238.11060	0.6
243.11478	0.7
259.09787	0.9
265.07120	6.0
267.09280	0.7
272.12805	0.9
283.08145	4.6
291.19229	0.8
305.06293	43.3
307.59677	0.7
318.11255	1.4
323.07245	3.6
332.12601	1.1
346.09064	1.0
365.23172	0.8
374.84210	0.8
377.12485	1.2
383.24139	1.1
383.61197	0.7
390.13358	1.7
411.10364	3.2
413.11920	1.9
429.11560	21.9
439.12079	11.0
483.16470	3.0
484.67310	0.8
545.16241	79.4
546.16333	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.8
56.05010	1.1
60.08160	4.6
64.85128	1.4
67.05500	2.8
67.14870	1.0
69.07053	4.1
71.07372	3.8
71.58781	1.3
71.59186	1.6
78.58675	0.9
79.05496	1.8
81.07055	4.2
83.08619	2.4
84.07666	1.1
86.09706	20.0
89.16679	1.3
93.07048	2.5
95.08610	4.1
97.10167	2.1
104.10744	100.0
107.08625	1.5
121.10154	2.2
146.98192	11.8
283.87390	1.0
339.28983	3.9
454.10321	1.2
485.26398	55.9
507.64432	1.1
544.33698	13.9
548.09869	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.01868	0.6
55.05505	0.4
57.03431	0.7
57.07060	0.2
59.04999	0.1
61.02913	0.4
67.05494	0.4
68.99793	0.2
69.03419	2.2
69.07045	0.3
69.54959	0.2
69.55361	1.1
70.04070	100.0
71.04994	0.4
73.02889	0.8
79.05492	0.4
81.03410	2.3
81.07055	1.0
83.08616	0.3
85.02897	5.6
86.09705	0.3
87.00822	1.8
87.04471	0.2
89.06057	0.2
91.03966	0.2
91.05470	0.3
93.07047	0.2
95.04953	0.2
95.08602	0.2
97.02880	2.4
99.04461	0.9
99.08090	0.4
105.01861	2.1
105.07041	0.5
107.04954	0.8
109.02866	2.2
109.10146	0.2
115.03907	0.3
117.01860	0.4
117.06918	0.2
119.08571	0.2
121.06512	0.2
125.01497	0.3
127.03909	3.5
127.04802	0.3
129.01886	0.4
141.00980	0.3
145.04924	1.9
149.24219	0.1
153.01048	0.6
159.02867	0.9
167.02650	0.4
169.04140	0.2
176.14737	0.1
183.10243	0.2
189.03947	0.2
209.07362	0.5
213.04042	0.3
220.59435	0.2
225.11230	0.3
227.08397	0.5
231.04991	0.9
249.06374	0.2
293.58176	0.2
296.11603	2.1
544.17413	0.2
544.29626	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
54.94886	0.1
55.01870	0.6
55.05513	0.2
57.03436	0.5
61.02921	0.5
67.05506	0.4
68.99776	0.2
69.03426	1.9
69.55146	1.2
70.04076	100.0
71.04987	0.3
73.02908	0.6
79.05473	0.3
81.03420	2.2
81.07053	0.5
83.08579	0.2
85.02906	5.5
86.09544	0.1
87.00823	2.2
91.03966	0.3
91.05450	0.2
93.07053	0.2
97.02896	1.8
99.04441	0.9
99.08067	0.3
100.11314	0.2
105.01859	2.1
105.07027	0.2
107.04940	0.3
109.02876	2.3
109.06556	0.2
109.10162	0.2
117.01878	0.2
121.06533	0.6
127.03909	3.7
127.04796	0.3
129.01875	0.3
134.95955	0.1
141.01024	0.2
145.04959	1.9
147.02838	0.2
159.02892	1.6
183.10220	0.3
209.07362	0.4
225.11281	0.2
227.08360	0.3
231.04979	0.7
269.68979	0.1
500.34000	0.4
544.36554	0.5
554.69897	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
55.01870	0.5
55.05506	0.4
55.09597	0.0
57.03438	0.4
57.07068	0.3
61.02915	0.4
65.75746	0.0
67.05500	0.2
68.99789	0.1
69.03423	1.5
69.07057	0.2
69.10043	0.0
69.33730	0.5
69.67309	0.1
70.04068	100.0
71.03777	0.1
71.04398	0.2
71.04985	0.2
73.02905	0.4
79.05457	0.1
81.03409	1.7
81.07048	0.1
83.08604	0.4
84.89248	0.0
85.02892	3.8
87.00819	1.7
87.04462	0.1
91.03961	0.1
91.05469	0.1
92.84768	0.1
93.07060	0.1
95.04990	0.1
95.08595	0.1
97.02878	1.9
98.20781	0.1
99.04441	0.7
99.08071	1.2
103.03947	0.0
105.01853	1.4
105.07027	0.1
107.04953	0.1
107.08604	0.1
109.02868	2.2
109.10155	0.1
111.08133	0.1
113.01582	0.1
115.03920	0.3
117.01854	0.2
119.08559	0.1
125.02372	0.1
127.03900	2.4
129.01028	0.1
129.01862	0.2
131.08589	0.1
133.04942	0.1
141.00989	0.1
145.04933	1.0
147.02876	0.1
155.02615	0.1
159.02888	0.7
159.04073	0.1
161.04472	0.1
166.92627	0.0
177.03960	0.1
183.10197	0.3
195.10246	0.1
209.07326	0.1
211.08852	0.1
213.03999	0.2
225.11172	0.5
227.08328	0.6
231.04965	0.6
238.05077	0.1
243.12315	0.1
247.04367	0.1
249.06149	0.1
286.66162	0.0
311.11322	0.1
329.12399	0.2
479.06598	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01865	2.0
55.05508	1.2
57.03431	1.6
57.07063	0.9
59.05012	0.2
61.02919	1.1
67.05506	0.3
68.99785	0.5
69.03421	5.7
69.07067	0.8
70.04070	100.0
70.06597	0.5
70.56410	0.4
70.56767	0.5
71.01352	0.2
71.04968	0.9
73.02910	1.5
74.29683	0.2
79.05482	0.5
79.69360	0.2
81.03409	6.7
81.07050	0.4
83.04970	0.3
83.08625	1.4
85.02896	16.6
87.00824	5.9
87.04426	0.2
91.03970	0.4
91.05469	0.5
93.07047	0.4
95.04971	0.3
95.08596	0.3
95.94117	0.2
97.02879	8.2
99.04453	3.1
99.08080	3.3
101.02433	0.2
105.01855	6.2
105.02563	0.4
105.07043	0.4
107.04961	0.7
107.08604	0.3
109.02872	6.9
109.10101	0.2
111.04462	0.2
115.03923	1.4
117.01878	0.8
119.08585	0.2
125.02356	0.5
127.03903	12.9
129.01027	0.3
129.01855	0.8
133.04993	0.2
135.13617	0.2
141.00986	0.2
145.04950	7.1
147.02890	0.7
149.09636	0.2
151.07617	0.2
154.27463	0.2
155.02531	0.2
158.95952	0.2
159.02879	4.3
161.04486	0.7
173.09560	0.2
177.03940	0.3
183.10188	0.9
195.10124	1.0
207.10400	0.2
209.07330	0.4
211.08946	0.8
213.03851	1.2
219.05028	0.4
225.11195	0.9
227.08284	2.0
227.10001	0.2
231.04967	3.7
232.10205	0.2
243.12227	0.3
247.04550	0.6
249.06145	0.7
290.28497	0.2
311.11426	0.3
329.12430	0.4
361.24857	0.2
544.36987	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.0
53.03937	3.3
55.01870	5.2
55.05508	26.9
56.96566	1.2
57.03416	5.6
57.07064	3.2
59.04987	1.0
63.03057	1.1
65.03925	2.9
67.05499	42.8
69.03407	2.9
69.07066	16.3
70.06593	1.1
70.85710	3.2
71.04979	3.1
71.08617	1.3
71.96843	0.9
78.77899	1.0
79.05486	33.8
81.03406	5.5
81.07048	43.2
83.04961	4.2
83.08602	12.2
85.02885	1.6
85.06525	2.2
91.05470	31.9
93.07034	28.1
95.04962	10.7
95.08600	28.9
97.02867	1.7
97.06517	3.6
97.10160	14.4
104.85270	1.0
105.07020	24.7
107.04945	6.6
107.08591	18.9
109.06504	4.0
109.10150	13.8
111.08069	3.7
115.05439	2.7
117.07009	18.3
119.08572	19.6
121.06480	6.2
121.10124	11.0
123.08056	3.6
123.11694	2.5
125.09599	10.4
125.10294	1.0
128.06226	4.5
129.07004	14.8
130.07767	1.0
131.08554	26.0
133.06499	2.0
133.10120	13.6
135.08064	5.0
135.11708	6.1
137.09613	2.5
139.11162	1.6
141.06999	4.2
142.07767	2.1
143.08546	15.0
145.06532	3.3
145.10117	21.1
145.11259	1.1
147.08049	3.2
147.11659	8.6
149.09656	3.6
149.13252	4.3
151.11232	1.2
153.06995	1.4
153.09138	1.8
154.07677	1.3
155.08543	7.9
156.09285	1.3
157.10114	12.9
159.08069	3.9
159.11671	15.3
161.09607	3.1
161.13213	4.8
163.11212	2.3
165.07042	1.3
167.08560	3.6
168.09341	1.1
169.10147	10.2
171.08041	3.1
171.11664	11.5
173.09613	4.8
173.11847	2.0
173.13275	8.3
175.11230	1.9
177.12688	1.5
179.08553	1.5
179.14275	1.6
181.10115	5.7
182.10898	1.6
183.11662	9.2
185.09592	2.7
185.13266	8.4
187.11205	2.3
187.14850	3.8
189.11179	5.5
189.12686	1.5
193.10162	1.2
193.12222	1.8
195.11716	4.2
197.07262	1.0
197.13184	7.0
199.11215	2.1
199.14815	3.7
201.12785	2.6
201.16473	1.2
203.14211	1.4
207.11758	1.4
209.13239	4.6
211.14816	2.7
213.12840	2.7
213.16438	1.7
215.14378	2.3
221.13304	2.0
223.14838	3.3
225.16386	3.2
227.12599	4.9
229.48717	1.2
237.16406	1.6
239.18152	1.1
241.19879	1.1
247.14735	1.3
247.16962	1.3
254.41115	1.2
257.18930	2.1
259.20502	2.3
265.19666	1.6
265.59894	1.0
267.15933	1.6
271.16928	1.7
271.20593	1.4
273.18600	1.4
275.20078	7.4
277.21643	1.5
283.20575	3.6
287.20044	1.4
289.21930	1.1
297.22079	2.5
299.20331	1.7
299.23618	9.0
300.88400	1.3
301.21606	3.9
311.20230	1.7
313.21753	1.6
315.23221	1.1
321.22220	1.2
325.21466	1.4
327.23331	1.7
339.23218	2.5
357.24460	2.2
415.29929	3.0
421.25851	2.0
433.31039	10.4
451.31976	17.6
469.33282	11.4
487.34015	1.3
507.34503	2.4
525.35730	31.8
543.36749	100.0
544.36890	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.9
53.03936	3.3
55.01875	3.9
55.05259	1.2
55.05508	18.2
57.03428	3.9
57.07069	2.5
65.03933	3.2
67.05498	42.2
67.42492	0.7
69.03414	2.2
69.07060	13.6
71.04980	2.4
73.02916	1.8
77.03899	1.3
79.05486	52.3
81.03426	3.8
81.07049	39.0
82.11753	0.9
83.04972	4.4
83.08599	8.7
85.06528	1.4
89.06047	1.7
91.05471	28.0
93.07034	64.1
95.04957	11.6
95.08596	46.2
97.02873	3.9
97.06520	4.6
97.10150	3.5
98.21484	3.0
99.04467	3.9
99.08076	1.0
99.34366	0.9
103.05455	2.5
105.03387	2.6
105.04501	0.9
105.07022	29.7
106.03040	0.8
106.07381	1.2
107.04955	8.5
107.08582	39.1
109.06497	3.0
109.10149	9.6
111.04453	1.4
111.08051	1.1
113.05982	0.8
113.09669	0.9
115.59124	0.7
117.07004	15.8
119.08572	17.5
121.06477	5.7
121.10131	20.4
123.08123	1.4
123.11706	1.3
125.05981	2.2
125.09613	1.2
125.84169	0.7
128.06230	1.8
129.07024	2.9
130.07780	2.2
131.08562	10.1
133.08542	1.3
133.10117	10.9
135.08044	2.7
135.11678	45.4
137.13242	0.9
139.07513	1.8
143.08546	3.7
145.10107	30.7
147.11674	4.6
149.09599	1.5
149.13272	3.9
153.12733	1.2
155.08548	1.8
157.10158	2.5
159.11679	4.9
161.13260	2.3
163.11162	52.8
165.12714	1.1
169.10004	1.4
171.11662	2.0
173.09622	1.4
173.11925	0.8
173.13176	3.8
175.14822	1.1
181.12206	11.6
183.11696	1.1
185.13255	1.2
187.14862	2.1
191.10680	0.9
195.11690	1.0
197.13232	1.1
199.14876	1.1
209.11627	2.2
227.12758	100.0
229.68532	0.9
243.21155	1.9
261.22110	5.7
275.20129	1.4
299.23602	1.4
301.21518	1.1
317.24725	1.3
383.73935	0.9
433.30988	2.3
451.32193	2.9
469.33270	1.6
525.35431	5.6
543.36755	67.2
544.37152	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
55.01865	3.3
55.05508	13.8
57.03408	2.6
57.07048	2.0
65.03911	1.9
67.05500	34.8
69.03379	1.6
69.07059	10.4
71.04959	2.5
73.02893	1.4
77.03925	1.1
77.52717	0.6
79.05486	46.2
81.03386	2.0
81.07051	32.2
83.04980	3.5
83.08152	0.5
83.08616	7.4
85.06532	1.2
87.04455	1.0
89.06035	2.7
91.05471	22.4
93.07039	55.4
95.04960	10.9
95.08601	43.3
95.09228	1.5
96.34984	0.6
97.02885	3.3
97.06528	4.2
97.10137	0.9
98.20676	0.9
99.04411	2.4
103.05434	2.0
105.04530	1.4
105.07027	36.3
106.07318	1.6
107.04948	8.6
107.08585	33.5
109.06509	3.3
109.10144	7.8
111.04414	0.9
111.08060	1.0
111.47852	0.5
113.05980	1.2
114.50464	0.5
115.05398	0.7
117.07001	11.1
119.08569	14.8
121.06480	5.6
121.10135	20.2
123.11685	1.2
125.05952	2.1
129.06915	1.0
130.07742	2.1
131.08559	5.3
133.08545	1.5
133.10121	6.5
135.08035	1.9
135.11682	43.9
137.13306	0.7
139.07521	1.8
143.08525	1.4
145.10114	26.2
147.11682	2.1
149.13191	2.4
155.08427	0.8
159.11707	2.7
161.13200	1.9
163.11168	51.2
173.13251	2.1
175.14764	0.7
181.12215	13.3
187.14833	1.2
209.09717	0.5
209.11731	1.7
222.18146	0.6
227.12762	100.0
228.13113	0.9
243.21086	1.5
261.22089	5.8
275.20013	0.9
317.24680	1.7
327.10995	0.6
410.88974	0.6
451.32120	0.8
525.35760	1.6
543.36774	51.3
544.36981	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
55.01865	3.3
55.05508	13.8
57.03408	2.6
57.07048	2.0
65.03911	1.9
67.05500	34.8
69.03379	1.6
69.07059	10.4
71.04959	2.5
73.02893	1.4
77.03925	1.1
77.52717	0.6
79.05486	46.2
81.03386	2.0
81.07051	32.2
83.04980	3.5
83.08152	0.5
83.08616	7.4
85.06532	1.2
87.04455	1.0
89.06035	2.7
91.05471	22.4
93.07039	55.4
95.04960	10.9
95.08601	43.3
95.09228	1.5
96.34984	0.6
97.02885	3.3
97.06528	4.2
97.10137	0.9
98.20676	0.9
99.04411	2.4
103.05434	2.0
105.04530	1.4
105.07027	36.3
106.07318	1.6
107.04948	8.6
107.08585	33.5
109.06509	3.3
109.10144	7.8
111.04414	0.9
111.08060	1.0
111.47852	0.5
113.05980	1.2
114.50464	0.5
115.05398	0.7
117.07001	11.1
119.08569	14.8
121.06480	5.6
121.10135	20.2
123.11685	1.2
125.05952	2.1
129.06915	1.0
130.07742	2.1
131.08559	5.3
133.08545	1.5
133.10121	6.5
135.08035	1.9
135.11682	43.9
137.13306	0.7
139.07521	1.8
143.08525	1.4
145.10114	26.2
147.11682	2.1
149.13191	2.4
155.08427	0.8
159.11707	2.7
161.13200	1.9
163.11168	51.2
173.13251	2.1
175.14764	0.7
181.12215	13.3
187.14833	1.2
209.09717	0.5
209.11731	1.7
222.18146	0.6
227.12762	100.0
228.13113	0.9
243.21086	1.5
261.22089	5.8
275.20013	0.9
317.24680	1.7
327.10995	0.6
410.88974	0.6
451.32120	0.8
525.35760	1.6
543.36774	51.3
544.36981	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3138
Annotation	Tricalysioside R
Peak:m/z	Relative Intensity
55.05512	1.6
56.96553	1.0
57.03443	1.3
67.05514	2.1
69.07068	1.2
70.06592	9.7
70.71688	1.8
70.72038	0.9
72.08154	3.1
76.10342	0.8
79.05498	1.6
81.07072	1.7
84.04485	1.6
84.08150	5.4
85.02905	1.3
86.09716	6.6
87.78551	0.7
91.05485	2.5
93.07043	1.3
95.08589	0.8
97.10174	0.7
99.92422	0.7
105.07068	1.3
107.04951	4.1
107.08587	2.0
107.96889	0.7
109.10109	0.7
110.07172	1.5
117.07079	1.0
119.08647	1.0
120.08098	1.7
129.06987	1.1
129.10271	2.7
130.03189	0.8
184.07373	0.9
195.00330	1.0
195.11171	0.7
203.05367	2.6
215.74869	0.9
297.78500	0.9
301.15845	0.7
363.25000	9.2
371.21878	1.3
381.26016	2.2
423.88556	0.8
499.34335	0.8
514.49426	0.8
543.31427	100.0
544.31787	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65906	1.2
52.89075	1.1
53.03935	1.9
55.01871	4.0
55.05503	13.9
56.05035	5.4
56.96546	2.2
57.03432	3.1
57.07062	1.8
57.90746	1.2
58.99586	7.1
61.02922	2.8
65.03940	1.6
67.05499	26.4
69.03420	3.3
69.07062	14.9
70.04066	2.2
70.06586	4.1
70.93475	1.3
71.04989	1.9
73.02913	2.1
73.18066	1.2
76.02225	16.4
79.05485	19.3
80.05047	2.0
81.03417	7.3
81.07050	29.1
83.04964	6.5
83.06104	1.3
83.08630	7.1
84.04500	59.4
85.02895	5.0
85.06536	1.7
86.99047	3.4
88.03989	2.2
91.05475	21.9
91.06005	1.9
93.07040	23.9
95.04968	7.7
95.06052	1.5
95.08601	17.1
97.02882	2.3
97.06525	4.7
97.10143	4.0
98.97467	1.2
102.05548	1.8
105.00089	6.7
105.07019	23.3
107.04947	13.4
107.08595	14.7
109.06513	12.0
109.10142	12.0
111.04494	1.5
111.08053	2.5
115.68226	1.3
116.98580	1.6
117.06998	6.4
117.64517	1.1
118.45711	1.5
119.08578	19.3
121.06494	8.4
121.10152	8.5
122.02722	75.9
123.08055	4.9
123.11711	2.1
125.09608	4.4
127.03940	2.7
129.06976	3.9
130.04999	26.7
130.05943	1.9
131.08563	16.7
133.06499	4.2
133.10110	17.0
135.08003	6.1
135.11693	5.7
137.05997	1.4
137.09637	2.8
141.06963	1.6
142.03233	11.5
142.07695	1.2
143.08568	3.7
145.06448	2.4
145.10110	12.5
147.08038	3.8
147.11670	10.4
149.09619	4.3
149.13252	1.8
151.11160	5.1
151.71722	1.3
155.08609	1.9
157.10146	4.3
159.08031	3.3
159.11652	6.0
161.09637	5.2
161.13232	3.5
163.11208	5.2
165.12822	1.6
171.11664	3.4
173.09624	3.1
173.13258	5.1
175.11171	3.2
175.14868	1.7
176.96893	1.8
181.81854	1.2
183.11687	2.6
185.13155	2.2
187.05368	1.8
187.11197	1.9
188.03723	10.2
189.11226	2.6
190.05322	1.3
191.14326	2.1
197.13280	1.9
201.12764	2.3
207.13806	5.9
215.18048	1.7
219.13829	3.6
229.19470	2.1
233.05930	3.8
234.04274	12.9
239.18007	2.9
247.20596	1.7
251.06953	92.8
257.19043	11.7
273.18445	1.9
275.20044	100.0
289.18106	1.6
291.19592	2.1
292.22678	2.1
293.21094	69.7
363.21640	2.8
394.05212	1.4
399.15182	3.8
414.23315	2.6
525.26141	2.6
543.19159	2.7
543.27466	30.5
543.37695	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	543.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42061	1.4
66.62208	1.1
69.58401	8.0
70.06591	2.4
93.90999	1.3
107.39555	1.2
125.77058	1.2
166.51073	1.1
193.42715	1.1
245.05016	1.5
251.28224	1.3
381.08051	6.2
415.39249	1.3
543.13220	100.0
544.13312	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	543.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62526	0.6
69.03456	0.9
70.78062	1.5
95.09390	0.8
98.97603	0.9
118.21137	0.8
145.02838	1.5
147.04385	3.3
163.03918	0.8
177.02400	0.7
177.05482	2.0
381.07932	21.9
485.43051	0.7
543.13190	100.0
544.13403	2.2
544.72479	0.8
567.02380	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82805	2.5
52.85570	2.4
54.28527	2.3
55.05507	3.1
57.07077	37.7
58.84383	2.6
67.05482	5.3
71.08640	30.0
73.06544	6.0
79.05515	3.5
81.07043	6.9
85.10191	20.9
85.19459	2.0
87.04449	4.7
89.06036	100.0
93.07046	2.6
95.08606	2.9
97.10138	4.8
105.06999	3.3
107.07063	6.7
117.09109	5.6
120.02989	2.4
130.08620	3.0
133.08611	50.1
155.17894	4.7
169.74994	2.4
177.11261	19.0
199.20549	3.6
215.87140	3.3
216.38745	2.8
221.13940	3.9
243.23140	7.3
327.19839	3.4
356.64481	2.8
371.22491	4.9
525.39880	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	542.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	13.8
56.05035	3.8
57.03443	9.5
57.07076	3.1
67.05508	27.7
69.07072	20.0
69.43861	2.5
69.44267	9.1
71.07374	12.5
76.71556	1.4
79.05487	9.1
81.07055	33.2
83.08627	8.8
84.49680	1.3
86.09706	58.4
89.23981	1.3
91.05475	3.9
93.07034	6.3
95.08611	22.5
97.10191	4.0
104.10734	2.1
105.07027	6.0
107.08584	4.6
109.10143	7.6
113.05602	1.6
119.08606	3.0
121.10146	3.5
123.11707	2.5
133.10138	3.9
135.11713	1.6
146.98186	100.0
152.15065	1.4
164.99229	4.3
299.97095	1.7
337.27402	25.9
359.25705	7.2
434.01028	1.8
472.28418	1.7
483.24860	92.0
501.47556	1.4
542.32214	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	542.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99769	3.0
55.01872	5.1
55.05508	22.2
56.05027	8.8
56.20607	3.2
57.03442	16.1
57.57483	2.9
58.06597	3.9
59.04993	5.2
60.04526	3.8
60.08147	3.9
62.06077	8.5
65.87288	3.9
67.05509	56.2
68.04995	3.3
69.03432	5.7
69.07058	14.8
69.27818	34.5
70.06594	100.0
71.04973	6.5
72.08161	30.9
74.06074	7.3
76.73450	3.4
79.05493	30.6
81.03403	4.8
81.07063	29.4
83.04990	4.9
83.08624	7.5
84.04501	19.8
84.08141	27.3
85.02847	4.1
85.85616	3.6
86.09220	4.6
86.09708	62.5
87.05576	3.5
87.53623	2.9
88.92400	3.0
91.05479	36.8
93.07037	22.4
95.04977	8.4
95.08599	14.7
97.06539	7.4
97.10170	10.1
98.21523	7.0
98.98457	10.5
102.05509	4.4
103.05442	4.9
104.10733	14.5
105.07026	21.1
107.04966	24.4
107.08580	13.2
109.06499	7.4
109.10152	32.8
110.07166	13.1
113.07162	3.3
115.05468	3.7
116.07099	5.0
117.07017	9.4
119.08565	15.4
119.60297	3.4
120.08109	25.9
121.06508	4.2
121.10117	10.1
124.01567	3.6
124.99981	11.4
125.09620	11.2
129.06972	5.3
129.10211	21.4
131.08606	19.1
133.06458	6.7
133.10085	6.6
135.08023	6.2
136.07596	6.8
137.09615	8.1
143.08577	6.4
145.10114	10.6
147.08057	4.2
147.11699	4.5
149.09641	3.9
153.09105	3.4
155.01036	4.1
157.10085	4.1
159.11610	3.8
161.09764	3.8
171.11551	4.0
173.02049	3.5
173.11736	9.8
173.13104	5.0
183.11652	4.1
183.14951	4.3
184.07355	64.1
184.44356	3.7
189.11259	16.4
193.12149	3.6
196.13411	5.7
215.14143	6.7
229.14342	66.2
233.15294	9.9
235.16910	4.0
255.17529	4.2
269.17407	6.4
270.38611	3.6
273.18594	20.9
291.19540	9.0
293.70117	3.4
307.09018	4.0
307.19040	41.9
309.10876	5.9
344.46671	4.5
347.22177	33.7
352.15323	18.7
365.23318	49.6
370.16254	4.6
383.23859	5.1
418.35544	3.4
430.19705	12.1
459.86032	3.7
488.23761	5.1
524.26038	7.1
542.26196	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38385	1.8
57.03422	2.2
61.02916	2.9
65.58815	1.6
65.99985	1.6
67.05502	4.5
69.03412	2.2
69.07039	2.6
70.06590	22.4
71.04974	2.0
71.59912	2.6
72.08144	3.6
72.43725	1.5
73.02911	1.8
79.05478	3.1
80.05026	3.5
81.03409	2.0
81.07070	3.3
82.06561	3.1
84.04486	3.3
84.08145	7.0
85.02882	4.7
86.09703	10.5
91.05478	5.5
93.05778	2.2
93.07025	11.2
94.06548	10.3
95.04972	4.6
95.07339	8.8
95.08624	1.8
96.07556	1.8
96.08130	24.0
96.90099	1.7
97.02851	2.8
97.06509	3.2
103.05453	2.8
104.10709	3.4
107.04945	17.1
107.08600	1.9
108.08111	18.5
110.05970	1.8
110.09674	38.1
120.08099	30.4
121.02870	1.8
121.06511	2.3
122.06036	2.5
123.06841	2.2
129.10258	3.0
136.07578	15.8
138.05505	2.6
138.09132	51.0
146.05981	14.7
148.07578	10.6
152.07095	1.5
156.84169	1.9
160.04082	1.6
164.07141	1.7
166.04880	2.5
166.08623	100.0
172.03967	2.7
174.05418	1.9
184.07314	1.9
197.10704	1.9
204.06520	3.5
206.08127	4.8
209.10820	1.7
223.08641	2.2
225.10266	3.4
227.11749	2.7
237.10202	10.4
239.08238	5.2
239.11858	3.7
241.09772	4.7
249.10191	2.2
251.08087	4.1
252.09059	2.4
253.09731	10.6
255.11252	5.2
265.09680	20.7
266.10495	2.1
267.07578	1.9
267.11224	8.3
269.09210	3.0
272.12747	2.0
281.09180	16.9
283.10770	15.3
287.10202	3.5
293.09177	15.5
295.10736	17.7
297.12283	2.4
299.10211	5.3
301.11835	6.4
309.08624	4.3
311.10153	11.3
313.11816	9.3
315.13370	3.5
321.08646	6.0
327.09723	15.7
331.12979	2.5
339.09769	24.3
341.11258	4.9
353.11252	1.9
359.12360	39.0
371.12390	19.5
378.23615	2.1
388.16599	2.3
400.16821	1.9
418.17535	3.2
436.15936	2.6
446.17245	8.8
448.17932	2.0
460.12357	1.9
464.18246	31.9
466.19803	8.8
474.16287	6.4
478.19992	3.4
492.17624	57.3
493.17807	2.4
506.19119	7.6
510.18939	3.2
524.19952	15.1
525.19379	2.5
542.26538	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	541.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.9
51.67277	1.2
53.03947	7.9
55.01874	2.7
55.05253	2.2
55.05507	27.7
57.03429	2.8
57.07066	5.2
59.94230	1.2
62.05449	1.1
65.03940	6.6
67.05499	84.2
69.03425	2.7
69.07062	19.8
69.34080	13.4
71.04971	3.4
71.08619	1.4
73.06542	1.3
77.03908	1.9
79.05486	97.9
81.03405	7.2
81.07050	69.1
83.04987	11.2
83.08608	10.8
85.06525	4.3
89.05999	1.4
91.05474	70.3
93.07037	98.9
95.04967	28.4
95.08598	51.6
97.06522	6.2
97.10146	4.2
98.21516	3.0
103.05489	2.1
105.04515	2.6
105.07025	49.2
107.04946	4.4
107.08586	32.9
109.06499	6.2
109.10143	12.0
109.10710	1.2
111.08128	2.0
115.05509	1.7
117.07025	14.7
119.08572	29.5
121.06538	2.4
121.10130	22.9
123.08080	3.8
123.11703	4.1
125.09618	1.3
128.06233	2.6
129.07001	13.0
131.08568	11.5
133.10109	15.7
135.11678	13.3
141.06952	1.3
143.08542	12.0
145.10120	15.6
147.07990	2.3
147.11667	35.0
147.12747	1.8
149.13281	4.4
155.08574	2.7
156.09485	1.3
157.10110	3.4
159.11716	5.9
161.09637	5.2
161.13251	14.1
163.11130	1.8
163.14810	2.0
169.10155	3.6
171.11658	23.0
171.34587	1.3
173.13263	4.9
175.14806	2.0
183.11726	3.0
186.18742	1.3
189.12735	8.8
199.14836	1.6
207.13797	29.3
225.14905	5.3
227.30376	1.4
243.20930	1.5
261.22198	5.7
271.97925	1.3
281.17514	2.5
317.24548	1.6
449.33865	4.2
467.35559	2.0
523.37634	2.3
541.25848	4.9
541.38873	100.0
542.38959	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	541.335
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36917	0.6
60.49688	0.6
63.18470	0.7
67.65113	0.6
69.07052	0.6
70.93974	1.7
77.71601	0.6
90.04311	0.6
95.08633	0.7
96.73957	0.6
128.02650	0.7
340.03104	0.6
541.33490	100.0
542.33392	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	9.2
67.05513	17.2
70.40475	15.5
76.79799	5.2
79.05486	15.2
81.07060	12.4
84.14053	4.8
91.05470	8.7
93.07039	9.7
95.08598	17.5
105.07014	15.0
107.04962	100.0
107.08624	10.3
109.10168	6.8
119.04948	7.7
119.08560	8.0
121.06483	7.8
121.10122	9.1
131.04939	32.0
133.06528	10.8
133.10147	11.1
191.08449	6.6
194.07158	7.4
237.09117	65.3
251.10797	7.4
263.10669	12.1
265.12408	6.1
287.10953	7.9
318.08383	5.6
329.15451	7.5
523.32013	14.9
540.53387	21.2
541.33002	36.2
541.53656	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	541.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.0
55.01877	7.3
55.05511	10.8
56.96554	5.6
57.03436	44.9
59.63423	3.2
64.40020	3.2
67.05509	24.9
69.03416	4.0
69.07064	8.3
69.42007	29.4
70.06590	19.6
71.01361	5.3
71.08670	3.0
72.08151	5.7
73.02914	11.0
79.05504	25.6
81.07066	23.7
83.04977	3.2
83.08614	5.2
84.08143	9.9
84.63628	4.3
85.02908	12.9
85.06542	8.9
86.09679	7.9
86.71114	3.2
91.05490	47.3
93.07063	24.9
95.00732	3.4
95.01314	8.1
95.04961	6.1
95.08597	14.7
98.21465	8.2
98.98465	4.3
105.07020	31.5
107.04964	32.0
107.08599	8.7
109.06506	31.5
109.10160	5.6
110.07143	5.3
112.13776	3.4
113.02399	6.2
115.05441	6.3
117.07040	35.4
119.08582	14.3
120.08129	4.9
121.02876	5.7
121.06492	8.0
121.10146	5.4
123.08061	4.1
128.06261	6.0
129.07018	22.4
131.03415	4.4
131.04932	6.1
131.07002	9.7
131.08549	29.4
133.06488	12.4
133.10115	12.1
135.08047	18.6
141.01758	6.1
141.06929	7.9
143.08557	11.2
145.06474	9.9
145.10123	22.1
147.08041	29.8
147.11725	7.3
149.09631	8.6
149.13274	4.5
155.08507	5.1
157.06523	9.4
157.10135	24.3
159.08054	9.1
159.11696	10.7
161.09610	13.2
165.06953	3.8
169.06511	7.4
171.08156	4.1
171.11662	10.2
173.13251	5.8
175.11168	14.1
181.06558	4.3
181.10123	4.6
183.11722	12.2
184.07358	9.2
185.13284	3.5
189.12767	5.2
199.11154	5.4
199.14836	11.4
201.12804	15.3
210.41258	4.7
217.15848	19.4
227.17853	3.6
237.16402	4.2
255.17432	10.8
259.12149	4.9
271.12155	7.8
273.18475	50.5
291.19644	7.6
347.22180	100.0
348.22632	5.2
365.23273	18.0
523.18536	7.5
541.19855	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
69.03428	0.7
70.06585	3.7
70.56723	0.4
70.57068	1.1
72.08154	1.1
77.03900	0.4
79.05473	1.3
81.03397	0.7
84.04498	0.8
84.08122	1.0
85.02887	1.1
86.09681	1.0
89.06023	0.7
91.03970	0.3
95.04941	1.7
95.05925	0.4
97.02876	0.7
105.04469	0.4
107.04947	86.8
108.05283	0.5
109.02850	0.3
109.10121	0.4
110.07191	0.4
113.03461	0.6
120.08086	0.5
127.03871	0.4
129.10278	0.6
136.07550	0.5
154.50363	0.4
155.08113	0.4
157.04703	1.8
176.43327	0.3
185.04250	1.0
211.09387	4.3
245.09335	0.5
255.08414	0.5
271.10983	0.7
273.09427	100.0
274.09778	0.6
301.08795	2.0
325.12704	0.4
329.18411	0.4
335.12286	0.4
425.14243	0.9
427.58456	0.4
435.14728	4.9
480.91125	0.4
523.27258	1.2
541.18903	49.6
541.26575	1.6
542.18982	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.01847	0.5
55.21663	0.5
56.96557	0.7
57.03418	0.8
59.06118	0.6
60.78349	0.5
62.64309	0.5
65.03922	0.6
69.03422	4.2
70.06591	3.5
71.04986	1.6
71.59847	0.6
79.05472	1.2
81.03403	3.7
84.04498	1.1
84.08125	1.6
85.02908	4.2
86.09699	1.6
91.05457	1.0
95.04956	1.9
97.02880	5.2
99.04433	1.6
107.04948	72.5
108.05281	0.7
109.02872	3.7
110.07154	0.9
110.93257	0.5
121.02852	0.8
127.03904	4.4
129.03123	0.8
137.05988	1.8
145.04985	1.9
157.04715	6.2
169.04675	1.4
176.73621	0.5
273.09482	4.5
278.79205	0.6
301.08929	27.9
305.70218	0.5
309.07495	0.6
313.48151	0.5
319.10046	1.4
375.67316	0.6
409.14719	0.9
425.14087	13.1
435.14716	6.2
479.18964	2.4
492.92065	0.6
541.18896	100.0
542.19177	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01862	0.8
55.05502	2.9
55.93507	0.9
56.94306	1.2
57.03410	0.7
57.07082	0.8
60.72189	0.6
67.05507	5.8
69.03417	1.1
69.07059	7.4
70.07854	1.6
70.08264	2.3
70.95866	1.2
71.04973	1.8
72.93787	5.5
73.94585	0.8
79.05500	4.9
81.03407	2.1
81.07055	12.9
83.08630	1.9
84.04477	0.9
85.02898	1.9
90.94820	5.2
91.05469	4.3
92.71636	0.7
93.07041	5.7
95.04959	1.8
95.08607	8.1
97.10175	1.5
104.96375	1.2
105.07020	7.3
107.04938	2.5
107.08597	4.1
108.95847	2.6
109.10160	4.4
114.94810	1.6
115.95539	1.0
116.96350	2.5
117.07037	1.9
119.07829	0.9
119.08563	5.3
121.06477	1.2
121.10136	2.0
123.11707	3.5
128.96336	1.6
131.08545	2.0
131.96159	1.4
132.95830	56.4
133.10123	3.4
134.97388	4.2
144.95824	8.2
145.10176	1.3
146.97350	1.8
147.08057	0.7
147.11668	4.5
150.96881	39.4
155.97391	4.7
158.97365	1.4
161.13234	1.1
162.96877	15.3
164.09995	0.7
164.98497	0.7
171.11656	0.8
173.97197	1.0
173.98495	1.3
174.96883	100.0
179.08545	1.1
180.09200	0.9
180.97824	1.0
184.98979	1.4
185.98553	1.2
186.96883	4.8
188.98456	1.7
192.97946	15.3
193.12271	0.9
198.96864	2.1
200.94806	13.5
203.05115	3.5
203.17940	1.8
204.97984	2.0
205.06697	2.7
215.99503	4.0
216.97939	7.3
217.06015	0.9
218.95851	13.8
221.02518	0.8
230.95828	5.1
234.98991	5.4
241.97495	2.9
242.95868	8.5
245.01134	1.5
248.96819	1.2
252.99992	1.2
260.96921	40.9
272.97113	0.9
275.10916	1.2
275.19992	1.1
278.97919	11.1
287.02234	0.9
293.11938	1.7
301.99677	3.4
317.11850	1.8
320.99054	4.4
335.12949	4.8
339.00079	1.8
361.10941	3.2
379.11935	1.0
421.13062	2.2
443.27783	1.1
455.16919	1.0
541.35266	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	540.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	7.3
56.05016	3.6
57.03439	6.9
57.07073	1.3
65.03950	1.0
67.05170	2.1
67.05503	28.2
69.07076	7.7
69.86537	5.5
71.07381	9.6
79.05492	14.6
81.07057	26.2
83.08617	1.7
84.74364	1.1
86.09704	56.5
86.11544	1.0
91.05448	6.7
93.07048	16.0
95.04993	2.3
95.08607	21.2
96.12981	1.2
98.06416	1.1
98.21384	2.3
104.10738	4.2
105.07030	4.4
107.08611	7.5
109.10145	6.8
119.08561	3.5
121.10145	4.6
123.11718	1.2
131.08560	1.8
135.11716	1.9
146.98178	100.0
164.99249	3.6
188.00754	1.9
335.25809	25.1
340.99515	1.2
357.23865	11.8
430.72156	1.2
481.23251	81.4
482.23456	1.9
540.30627	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	540.243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.6
55.05517	2.9
56.05027	4.7
57.03424	4.2
58.06593	1.4
60.04516	3.9
60.08164	5.3
62.06094	1.6
63.21406	1.2
66.63508	1.2
67.05508	7.6
69.03442	2.3
69.07063	3.2
69.53694	11.4
70.06591	39.6
71.05018	2.6
71.06926	1.5
71.07361	2.1
72.08150	12.3
75.18542	1.3
79.05502	5.2
81.03423	4.5
81.07049	4.2
83.06089	1.9
84.04498	9.2
84.08144	16.7
85.02905	5.9
85.08493	1.6
86.06060	2.4
86.09708	32.8
87.05612	1.5
88.04043	1.6
90.20919	1.3
91.05489	5.3
93.07045	5.0
95.04984	2.1
95.08597	2.4
97.02874	2.0
98.06070	1.8
98.98472	3.8
102.05527	2.8
103.05455	2.0
104.05324	2.0
104.10738	20.1
105.07053	2.4
107.04962	11.0
107.08626	2.6
109.06505	1.8
109.10165	5.6
109.32790	1.5
110.07169	6.3
112.08729	1.6
112.14341	1.4
112.18738	1.5
115.05503	2.2
115.08625	1.5
116.07117	1.5
117.07018	2.4
119.08568	1.9
120.08115	9.9
121.06533	1.8
123.08113	1.6
124.99999	9.4
127.03952	2.0
128.06180	1.8
129.07085	9.4
129.10251	8.0
131.04951	3.2
131.08592	8.7
136.07578	4.1
137.05930	6.6
137.09668	1.8
141.06989	4.5
145.06453	3.0
149.06062	1.5
150.07735	2.0
151.07571	4.4
157.06541	6.5
158.07269	3.1
159.08043	8.4
161.05957	1.8
163.07623	2.7
169.06494	3.1
170.07278	1.9
173.11737	2.5
174.06744	12.3
175.07452	3.2
178.34695	1.6
184.07335	41.9
186.06779	3.3
189.09081	26.7
191.10722	3.2
199.10873	1.9
201.09093	10.1
203.13994	1.4
219.10149	100.0
220.10440	2.1
229.14313	4.1
271.16928	1.8
276.44894	1.4
289.18002	3.2
292.12683	1.5
313.14163	2.7
331.15442	5.9
363.21686	3.3
399.23721	5.4
426.18915	1.6
464.19510	1.5
496.30328	1.6
518.29657	1.5
522.24469	4.8
540.18073	2.6
540.25629	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	540.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
55.01862	0.4
56.05020	0.4
57.03413	0.4
60.04496	0.3
61.02912	0.4
64.47803	0.2
65.03929	1.8
66.18130	0.2
67.05500	0.3
69.03432	2.1
70.06586	2.9
70.34125	0.2
70.89489	0.5
71.01331	0.2
71.04983	0.4
72.08137	0.7
73.02902	0.3
74.06065	0.4
79.05492	0.4
81.03410	6.1
84.04491	0.6
84.08118	1.7
85.02899	3.6
86.09686	0.8
94.06561	0.3
95.04960	5.1
95.06028	0.3
97.02882	4.3
98.06042	0.2
99.04448	0.6
105.04455	0.3
105.06978	0.2
107.04945	23.6
109.02865	3.0
111.04436	1.5
120.08105	0.4
121.02856	100.0
122.03159	0.6
124.07596	0.2
127.03903	2.3
129.10226	0.9
138.09160	0.4
139.03893	17.9
145.04947	1.8
146.17188	0.3
155.08081	0.3
166.08656	0.5
180.31245	0.2
208.29884	0.3
215.07045	0.3
229.15469	0.5
247.06038	0.8
265.07056	9.0
265.09827	0.5
268.18158	0.3
283.08093	29.0
378.23758	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43783	3.0
51.08438	3.3
51.76424	3.9
55.05509	26.6
55.37537	3.3
57.03422	16.3
57.07069	49.7
57.09344	3.2
67.05500	65.2
68.19032	3.6
69.07067	51.2
69.07414	6.3
69.95803	3.3
70.04079	4.4
71.08623	27.4
71.21324	6.3
73.02944	3.5
75.00052	4.6
76.99740	3.5
79.05488	47.4
81.03429	7.8
81.07052	52.0
83.04985	7.9
83.08611	16.6
85.10203	20.6
89.06015	12.5
90.57868	3.9
91.05476	36.0
92.83066	3.4
93.07043	41.3
95.04955	30.7
95.08595	52.3
97.06518	6.0
97.10181	8.8
99.04425	4.2
103.03116	14.6
103.05428	5.4
105.02807	3.9
105.07026	81.1
107.04955	7.8
107.08580	30.8
109.10133	13.9
111.04443	5.9
117.06990	17.2
119.08584	19.7
121.06509	15.4
121.10128	13.3
122.82609	3.5
125.09641	4.4
129.07005	10.5
131.02577	29.8
131.08553	13.4
133.02333	6.6
133.08684	4.9
133.10100	8.5
135.08003	4.3
135.11671	24.0
139.84605	4.5
141.06996	4.4
142.07803	4.0
143.08569	12.5
145.10081	23.0
147.11758	5.5
155.08565	16.5
157.10149	7.0
159.11661	7.4
163.11179	33.2
165.07031	5.3
169.10150	17.3
171.11681	9.9
181.10141	11.5
181.12230	11.2
183.11745	15.1
185.13193	7.0
195.11639	9.7
197.07246	7.3
197.13242	6.7
198.07558	4.7
207.11687	8.6
209.13284	10.8
211.14844	5.2
213.16362	4.0
227.12776	72.0
229.62950	4.1
239.23761	9.8
283.15430	33.1
313.27338	54.5
408.16412	7.4
409.17007	7.6
429.31714	6.4
447.32559	15.3
465.33798	8.5
521.38306	37.7
539.37622	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.8
55.05508	10.8
57.07066	16.5
61.01144	16.4
61.98840	4.3
67.05502	24.5
69.07072	6.0
71.08638	7.0
72.04508	35.0
77.20382	4.9
78.03777	25.8
79.05501	21.7
81.07050	20.2
83.08611	5.8
89.06030	23.6
91.05471	12.5
93.07019	22.8
95.04940	6.9
95.08591	18.0
99.05569	4.9
102.03770	36.8
102.05416	3.9
105.07043	12.2
107.08582	11.3
109.10162	7.2
114.03748	14.3
117.07039	6.8
119.08578	7.0
120.04780	6.4
121.10158	11.2
123.57955	4.1
125.53069	4.8
131.06374	19.7
132.04810	30.5
133.08618	12.9
135.57381	4.0
142.08641	8.5
147.11699	5.0
149.07446	82.7
230.12163	6.6
261.12677	12.5
314.24759	6.0
315.23163	11.3
332.25784	32.7
409.23401	5.7
409.28815	100.0
427.18799	6.0
521.34015	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.319
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	0.5
57.07065	0.7
60.08164	0.7
67.05495	0.7
69.07072	0.4
70.84504	1.3
81.07084	0.5
83.08652	0.6
86.09698	2.3
93.07063	0.4
95.08601	0.4
98.98481	1.1
104.10740	1.7
116.98618	0.6
120.41525	0.4
124.99987	1.8
134.99608	0.4
149.01216	0.5
155.01057	0.8
177.00780	0.5
184.07349	3.3
203.05264	0.8
240.09966	0.4
259.07983	0.6
313.27567	0.5
315.27917	0.7
321.22739	0.5
330.67569	0.4
337.20581	1.2
377.26718	0.4
394.38055	0.4
538.81964	1.2
539.31915	100.0
540.32019	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	539.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	0.8
67.05496	0.7
69.03416	0.4
69.07049	0.8
70.41546	1.3
71.08618	0.5
74.32429	0.4
79.05476	0.5
81.07062	0.5
85.10152	0.4
86.09706	0.5
90.58164	0.4
90.71011	0.4
92.54045	0.4
95.08630	0.5
104.10735	1.4
105.07016	0.6
107.04971	0.9
109.02836	0.4
109.10159	0.5
121.10146	0.5
131.04970	0.5
131.32079	0.4
131.68968	0.4
134.99767	0.4
144.88824	0.3
157.92305	0.4
183.62012	0.3
184.07370	0.8
188.92592	0.4
195.42378	0.5
237.09270	0.6
239.23586	0.6
267.23727	0.5
337.20483	0.5
444.95969	0.5
539.31927	100.0
540.31952	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	539.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.4
54.53450	1.7
55.01860	3.0
55.05507	18.2
57.03417	5.6
57.07069	19.2
65.03924	4.7
67.05172	2.7
67.05504	45.8
68.05807	1.7
69.07063	27.9
70.07382	3.3
71.04974	2.5
71.08624	10.3
71.58778	2.0
75.00044	2.9
77.03903	2.5
79.05486	36.3
79.63078	1.7
81.03389	3.8
81.07053	34.1
83.04974	3.9
83.08633	10.7
85.02880	2.2
85.10198	3.9
87.04453	4.2
88.80428	1.9
89.06024	9.5
91.05479	25.8
93.07033	28.7
95.04964	14.3
95.08601	29.0
97.06506	3.1
97.10165	5.3
99.25574	2.1
103.03113	7.2
103.05442	3.0
105.02846	2.7
105.07027	80.7
107.04932	5.5
107.08591	15.8
109.10114	7.0
111.04398	3.0
115.07542	2.5
117.06995	10.4
117.32411	2.3
119.08569	19.0
121.06481	8.4
121.10113	7.0
123.11697	2.4
125.09612	3.9
128.06194	2.4
129.07022	13.2
131.02583	17.8
131.08540	13.4
133.02289	3.0
133.08556	5.0
133.10098	9.3
135.11670	10.3
141.06943	6.7
143.08537	14.1
145.10106	15.0
147.07977	2.6
147.11670	7.6
153.06903	2.7
155.08521	13.1
157.10107	11.8
159.11665	5.3
161.09396	1.9
161.13231	2.7
163.11160	10.5
165.09071	3.2
167.08525	8.8
169.10121	18.4
171.08055	2.1
171.11694	10.9
173.13290	3.6
179.08562	4.1
181.10104	9.3
181.12117	2.5
183.10255	2.5
183.11636	12.4
185.13257	5.7
193.10150	5.2
194.89944	1.8
195.11674	10.9
197.07227	3.8
197.13232	8.8
198.07559	3.2
199.14891	3.0
205.10033	2.2
207.11699	4.2
209.11577	2.6
209.13252	12.4
211.14644	5.2
213.16536	2.5
221.13187	5.4
223.14729	3.0
225.16316	2.5
227.12761	33.1
235.14769	3.4
239.23738	3.4
259.20459	2.4
283.15424	6.2
313.27304	13.0
315.23132	3.6
321.22174	2.6
323.23648	2.7
332.82120	1.9
353.24976	2.7
355.45941	2.2
408.16736	4.2
409.17133	6.3
414.67728	2.0
429.31625	4.7
440.38025	2.0
447.32562	20.8
449.19775	2.1
465.33777	7.7
483.34665	4.7
521.36560	18.3
539.37384	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05020	1.1
57.07061	2.7
58.06607	1.0
60.08162	15.8
63.44094	1.0
67.05489	1.1
69.07070	1.0
69.54708	7.0
71.07378	7.3
71.08607	1.5
81.07042	1.2
85.10186	1.0
86.09705	48.3
93.75800	0.8
98.98444	3.8
104.10741	95.6
120.87991	0.8
122.57747	0.8
123.52751	0.8
125.00002	28.0
127.72713	0.8
162.25780	1.0
184.07336	100.0
258.26505	1.0
366.59372	1.0
463.39081	0.9
520.37457	8.7
538.38635	25.9
539.39917	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.7
51.02357	0.8
52.38404	0.5
53.03936	0.7
54.07299	0.5
55.01862	0.9
56.96554	0.6
57.03429	0.8
67.05491	1.6
69.03424	0.9
70.06580	3.7
71.04990	7.8
72.08112	1.0
77.03925	1.0
79.05480	2.3
84.08154	1.2
85.02897	7.9
86.09697	1.0
89.06024	0.8
91.05496	1.2
93.07022	0.8
95.04947	2.8
95.08588	0.8
98.20586	1.1
105.03403	1.2
105.04545	0.7
107.04947	100.0
108.05281	0.9
111.56020	0.6
117.06986	0.9
118.06529	6.2
121.02837	4.3
123.04418	47.7
129.05463	1.3
129.10254	0.6
130.06519	44.9
132.08070	3.0
138.09108	1.4
142.06526	0.9
143.07288	0.7
144.08070	7.6
146.06001	34.1
147.04355	0.6
147.06506	1.0
154.06580	0.9
156.08032	0.7
158.06012	1.3
159.09175	1.5
165.01740	0.7
166.08658	1.6
167.08957	0.7
170.06000	2.5
173.06003	0.8
183.02951	0.6
188.07051	76.6
189.07404	1.0
190.23911	0.6
200.07024	2.0
205.09773	3.5
206.09647	3.5
224.10707	0.7
229.04979	1.5
234.09120	12.2
236.10677	2.0
243.06549	0.6
248.10713	3.5
252.10184	2.8
291.12170	0.6
294.11234	60.5
295.11325	1.0
299.05466	17.1
310.10739	10.3
311.13879	30.2
312.14139	1.2
327.13373	11.5
349.14148	0.6
393.09637	28.3
394.10007	2.0
400.15417	25.6
416.14920	11.8
417.18137	7.1
433.17502	6.3
435.16916	0.8
468.28571	0.6
507.19632	1.0
538.79803	6.9
539.29272	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	538.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	0.5
58.06596	0.5
60.07883	0.5
60.08160	7.1
67.05489	0.7
70.06544	0.3
71.07379	3.1
71.59047	0.4
81.07034	0.3
86.09698	31.4
98.98449	2.8
104.10725	5.3
109.85007	0.3
124.99996	21.5
143.01059	0.3
144.70036	0.3
147.58159	0.3
149.79066	0.3
184.07326	100.0
185.07893	0.3
211.33167	0.3
223.12691	0.3
258.11047	0.6
324.84149	0.3
361.81119	0.3
520.33905	1.6
538.35040	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	538.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21389	0.6
56.05033	35.4
60.55687	0.6
61.00837	1.0
61.01148	21.1
67.05483	1.1
69.03414	1.8
69.07041	3.1
70.06588	9.8
71.58644	0.9
72.06407	0.5
72.08154	3.2
73.03992	0.8
74.06068	2.5
75.79002	0.6
79.05508	0.6
79.12142	0.6
83.06095	2.9
84.04501	13.0
84.08133	4.6
86.09702	35.1
87.05576	0.7
88.03976	0.7
91.05476	1.6
93.07068	0.8
94.06527	0.8
95.08630	0.7
96.04489	0.9
98.06047	0.7
101.07138	8.4
104.05325	100.0
104.10708	0.8
105.05665	0.6
107.04948	2.0
110.07172	3.3
112.08702	0.6
116.07118	0.7
117.03712	3.6
119.08495	0.6
120.08108	12.1
122.06037	2.1
123.37002	0.6
125.00053	0.7
126.05534	0.9
127.03202	0.5
129.06580	4.2
129.10271	2.8
131.04956	0.8
133.10263	0.6
137.05978	1.1
149.07437	27.9
150.05591	0.6
152.10722	1.1
166.08632	5.8
167.08171	1.2
167.64886	0.6
169.13353	1.2
170.06297	2.1
175.07564	1.3
178.05020	2.9
184.07352	2.6
195.07719	1.6
196.14476	2.8
197.12897	2.4
212.10332	0.7
214.15459	1.2
224.13870	0.6
226.05251	3.2
232.11160	3.2
242.14952	1.2
243.07965	11.6
260.10635	63.4
261.11008	1.3
279.17041	9.0
328.16946	1.1
329.16061	0.7
356.16257	1.3
373.19043	7.8
389.21902	2.1
390.19965	0.9
397.22134	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.5
56.05023	2.0
58.99583	5.0
59.04999	3.3
60.04524	1.6
67.05515	6.7
69.03423	3.7
69.07064	30.8
70.06590	14.8
71.04987	4.8
71.60349	2.1
73.01147	7.4
73.02913	1.9
74.06071	1.4
76.02223	8.1
79.05489	5.3
81.03440	3.3
81.07057	26.0
84.04501	2.4
84.08131	5.2
85.02885	1.9
86.06065	3.0
86.09708	6.8
86.99050	4.5
87.04459	17.6
87.10053	1.3
88.02208	3.4
88.03996	2.0
91.02193	8.9
91.05489	5.6
93.07040	16.1
94.06553	4.1
95.04975	21.0
95.07344	4.5
95.08610	11.8
96.08121	10.3
97.02890	2.2
97.06514	5.5
98.06040	1.5
99.02683	1.8
100.02211	2.2
101.00607	4.7
103.05412	2.6
105.00102	6.1
105.07043	7.2
106.06511	1.4
107.04948	26.7
107.08581	15.4
108.05299	1.6
108.08111	6.9
109.06522	7.9
109.10154	9.1
110.07177	1.9
110.09680	15.6
111.08099	2.7
116.04993	3.0
119.01638	100.0
119.08585	5.1
120.04536	2.7
120.08102	10.8
121.06529	3.2
121.10178	7.0
122.02722	46.2
122.06030	2.8
123.08073	2.9
123.11717	9.9
124.03955	3.8
124.07548	3.1
125.09638	5.1
126.03780	2.1
127.03942	1.6
129.10307	1.6
131.08559	2.5
133.10124	5.0
135.08078	4.3
135.11699	7.4
136.07582	5.7
137.05980	4.8
137.09613	2.8
138.05498	3.2
138.09135	17.4
143.08733	1.7
144.04559	2.7
145.03160	3.9
145.10144	8.1
146.02711	3.3
146.06027	3.0
147.11647	2.4
148.07550	5.0
148.08850	1.2
149.09683	1.8
149.13263	6.5
150.09192	1.7
151.11211	3.7
157.10106	1.7
159.11681	6.7
161.05995	1.7
162.05727	2.0
163.11203	4.3
166.05023	1.9
166.08646	40.1
172.03995	18.5
173.13316	2.0
178.05208	1.3
190.05179	15.3
191.03699	11.8
193.06430	1.3
201.16422	13.6
204.06596	8.4
208.06378	72.8
216.06799	2.5
219.17435	41.6
224.09491	2.4
225.10242	2.7
227.11771	1.5
233.13562	1.5
235.08528	1.5
237.10271	5.9
238.10971	1.9
239.07877	1.4
239.11877	1.9
240.19850	1.4
244.13593	1.4
251.08090	1.4
251.11780	4.3
251.14514	2.4
252.08965	2.2
253.09717	3.4
263.11703	2.4
265.09662	7.6
266.10391	2.1
267.11288	1.7
273.12228	3.4
278.06577	3.4
279.11234	3.8
281.12744	1.3
283.10907	2.5
285.12314	4.9
293.09174	10.9
294.09961	2.5
297.12296	2.5
298.13254	1.5
307.10791	3.0
309.12512	2.6
312.11063	2.6
313.11826	3.6
322.18347	8.8
325.11597	6.6
326.99820	1.6
335.10309	4.0
340.19366	7.7
341.11322	10.9
343.12885	1.7
353.11234	9.0
357.14984	1.6
358.20505	24.3
373.13757	2.5
376.13873	2.0
385.13840	3.0
460.18265	1.8
465.18924	4.1
478.19559	5.2
488.18042	7.1
506.19269	27.7
520.20288	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	6.7
58.99582	3.6
59.05000	3.5
61.02925	5.5
67.05502	11.7
69.03413	5.9
69.07062	41.5
69.83158	18.0
69.83457	5.1
70.06586	7.9
71.04983	23.9
72.08142	3.9
73.01133	7.6
73.02910	3.0
76.02229	4.9
76.84856	3.2
79.05478	8.7
81.03423	4.9
81.07050	33.9
83.04980	3.1
84.08140	5.7
85.02898	32.2
86.09689	5.7
87.04470	21.0
88.02224	6.0
91.02182	6.5
91.05476	6.5
93.07040	19.7
94.06561	7.1
95.04961	19.2
95.08606	15.2
96.08128	13.7
97.02879	4.1
97.06517	5.8
97.10180	4.1
100.02171	5.7
104.05373	2.9
105.07032	11.0
107.04935	22.7
107.08590	24.3
108.08129	8.2
109.06513	15.1
109.10130	17.6
110.09025	2.8
110.09671	20.9
111.08045	3.3
119.01640	100.0
119.08578	9.1
120.08097	15.5
121.02879	16.5
121.06512	5.0
121.10141	8.9
122.02699	50.7
123.08055	3.2
123.11706	12.3
123.47014	2.8
124.07594	6.1
125.09632	5.4
131.08588	6.6
133.10065	4.6
135.00949	2.7
135.08054	6.7
135.11691	11.6
136.07600	6.6
137.09583	4.1
138.03801	3.0
138.09128	31.5
143.50586	2.9
144.04430	6.0
144.08066	4.2
145.10114	13.0
146.02670	5.8
146.05992	3.3
147.11699	4.3
148.07547	4.5
149.09691	3.3
149.13203	7.3
151.11197	5.9
159.11676	15.8
161.13289	3.3
162.05608	5.9
163.11174	8.2
166.08629	49.7
172.03990	27.4
173.05824	3.8
183.14679	2.9
190.05103	9.5
191.03734	11.8
201.16341	21.5
204.06563	12.1
208.06380	76.4
219.17419	53.2
229.04987	5.6
237.10223	6.3
251.14410	4.0
253.09663	4.2
260.02060	3.0
264.29736	3.3
265.09772	8.9
273.11990	3.6
279.11356	6.7
293.09152	10.4
297.12347	4.5
299.05490	57.2
322.18213	16.9
325.11880	8.9
335.10089	4.8
340.19464	18.5
341.11337	15.5
353.11304	11.2
358.20468	16.1
393.09653	97.4
460.19290	3.4
478.19482	4.1
488.18390	7.7
506.19266	28.6
520.20496	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	538.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00748	0.5
57.03408	0.6
69.03416	1.5
69.98111	0.8
69.98504	1.6
70.06580	2.5
79.05491	1.5
81.07031	0.6
84.04485	0.9
84.08124	1.8
85.02905	3.8
85.09412	0.5
86.05361	0.6
91.03974	0.6
91.05468	4.0
93.07039	1.2
94.04185	1.8
95.04961	0.9
97.02930	0.8
97.06525	0.5
103.05457	2.4
105.07038	5.4
107.04957	2.6
109.06497	1.3
110.07176	0.6
115.05456	1.8
117.07006	2.1
119.04921	0.6
119.08591	2.7
121.06512	2.8
121.07296	0.6
122.03619	4.9
127.03931	0.8
128.06207	1.0
129.07002	1.7
130.04160	0.7
131.04955	1.7
132.05690	1.6
133.06493	4.7
137.05971	100.0
138.06325	1.0
145.06493	3.5
146.03575	0.6
147.04391	1.9
147.08047	2.3
149.05983	4.8
151.03937	0.8
154.04988	3.7
155.04947	0.6
159.08037	1.9
160.05206	1.1
161.05972	15.6
162.06760	2.0
163.07547	1.2
167.43501	0.5
173.06007	1.2
175.07539	26.7
175.19476	0.6
177.08969	0.6
179.07053	1.2
179.08553	0.6
185.05981	0.6
187.07555	5.9
190.07724	1.1
191.08531	5.8
193.08600	4.6
199.07526	3.3
203.08595	2.0
204.13434	0.8
205.06755	0.5
205.08556	3.3
209.09618	0.5
210.14742	0.5
217.08525	1.1
218.07268	1.5
219.08046	6.7
220.08842	1.3
231.08029	2.2
233.06015	0.8
233.09688	0.7
235.07536	0.8
236.08408	1.7
247.07626	2.9
248.08315	1.5
248.36842	0.6
251.10695	9.6
259.07489	1.7
261.09058	0.7
263.10727	1.4
264.07755	1.0
269.11630	0.6
270.09567	1.2
276.07623	0.9
277.08514	1.2
279.10156	7.8
291.10193	4.1
292.10855	1.0
296.10428	1.1
309.11069	0.8
311.12772	24.0
315.42267	0.5
323.12793	8.2
329.13745	3.9
334.45706	0.6
341.13873	7.4
359.14896	0.6
376.13910	2.2
442.47708	0.6
454.34653	0.9
475.31497	1.1
538.29980	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.4
56.57211	0.3
57.03423	0.3
57.10642	0.3
58.99581	0.6
65.03931	0.8
67.05489	1.4
69.03401	0.3
69.07056	0.5
69.80601	0.6
69.81010	1.5
70.06594	2.0
72.08139	0.5
74.00664	1.0
76.02241	0.8
79.05473	1.9
80.04999	1.0
81.03409	0.8
81.05788	0.6
81.07056	1.4
81.47749	0.3
82.06566	1.3
82.84396	0.3
83.08653	0.4
84.04489	1.4
84.08115	0.8
84.99585	0.3
85.02881	0.6
86.09704	0.6
88.33794	0.4
91.05467	2.4
93.05775	0.5
93.07043	3.3
94.06557	6.0
95.04954	1.2
95.07336	3.6
95.08606	0.7
96.08125	8.9
97.02864	0.5
97.06527	1.1
100.93238	0.3
103.05451	1.1
105.05717	0.3
105.07030	0.7
106.06528	0.8
107.04939	5.0
107.07326	0.9
107.08601	0.5
108.04483	1.3
108.05250	0.6
108.08108	9.0
109.08933	0.7
109.10213	0.4
110.06055	0.4
110.08909	0.6
110.09672	13.1
110.99123	0.3
116.01679	1.5
116.04991	0.9
116.07105	0.6
118.06542	1.1
119.07385	0.3
119.08566	0.5
120.04460	6.1
120.07227	0.6
120.08096	11.2
121.06473	0.6
122.06026	2.2
122.09692	1.2
123.06808	0.7
124.07594	4.7
132.04451	0.6
132.08070	1.7
134.06012	1.9
134.09654	0.5
135.06859	0.5
136.07561	6.8
138.05505	1.9
138.09125	17.5
144.01161	0.5
144.04396	1.8
145.05022	0.4
146.06004	5.4
148.07542	4.0
150.05492	0.9
150.09108	1.5
151.06276	0.5
152.07027	4.1
152.10725	1.0
158.97740	0.4
159.06834	0.5
160.04039	0.5
160.07578	2.1
162.02229	2.8
162.05537	1.2
162.09143	1.4
164.07040	2.2
166.04987	0.9
166.08626	30.1
168.08005	0.4
168.10231	0.3
172.03914	9.2
174.05490	0.9
174.09119	0.4
176.07037	0.5
176.10695	0.5
177.07858	0.7
178.05019	0.5
178.08664	0.6
180.06572	1.0
180.10185	1.4
181.08928	0.5
182.09679	1.0
182.11795	1.4
183.09166	0.7
184.07501	0.6
184.09906	0.8
185.10742	2.0
187.06293	0.9
188.07057	1.4
189.07945	0.5
190.04944	3.5
190.08623	0.4
192.06567	1.6
192.10127	1.7
194.08107	3.9
194.09676	0.5
194.95290	1.0
195.09163	0.7
196.09721	1.8
197.10732	3.9
198.11531	1.2
199.12260	2.0
202.05380	0.5
202.08633	0.5
204.06543	8.6
204.10092	0.8
206.08125	0.6
207.09038	0.4
207.47737	0.3
208.09843	0.4
209.10744	1.8
210.09247	0.5
210.11400	0.8
211.08717	0.7
211.12286	1.7
212.09340	2.1
212.13016	0.4
213.10226	1.9
213.13882	0.7
218.08182	0.5
220.09874	0.9
221.10722	0.6
222.11292	3.2
223.08684	1.3
223.12338	0.9
224.09444	1.5
224.13052	0.5
225.10229	7.9
225.13773	0.6
226.10930	2.4
227.11739	3.7
229.13521	0.4
231.15021	0.7
233.06818	0.8
233.99007	0.7
235.08597	1.0
235.12386	0.7
236.09219	3.2
237.10207	6.8
238.10968	2.3
239.08104	1.0
239.11745	7.4
240.12572	0.9
241.09668	1.8
241.13435	1.3
245.12773	1.7
248.09178	13.7
249.10257	3.3
250.07394	0.4
250.11034	1.2
251.08002	1.8
251.11765	4.1
252.09024	0.7
252.12570	1.2
253.09700	7.4
253.13289	2.0
254.10446	0.7
255.11227	2.3
257.12881	1.2
259.14478	1.1
260.37399	0.3
261.10248	1.2
261.16006	0.8
262.10916	0.8
263.08215	0.4
263.11823	2.5
264.08890	0.4
265.09695	8.3
265.12845	0.6
266.10507	1.6
267.11261	6.0
268.12027	1.3
269.09576	0.4
269.12851	1.8
271.10901	1.7
271.14404	0.9
273.12320	3.0
274.13190	0.7
277.09665	0.9
278.06604	1.3
278.10474	1.4
279.07730	1.7
279.11301	6.9
280.08585	0.7
280.12045	1.2
281.09271	1.2
281.12872	3.4
282.10080	0.4
283.10751	3.9
283.14023	0.7
285.12372	4.0
285.15720	0.6
286.13171	1.3
287.13867	7.1
289.09738	1.9
291.11249	1.0
292.08377	0.6
293.09219	4.6
293.12845	1.3
294.09982	2.8
295.10751	3.4
296.11487	1.2
297.12299	2.9
298.09924	0.5
298.12897	0.6
299.10349	0.9
299.13977	2.0
300.11069	0.4
301.15433	2.1
305.94379	0.7
307.10867	1.4
309.12250	3.5
310.13501	0.4
311.10245	3.3
311.13922	2.1
312.10959	1.9
313.11813	11.1
313.15494	3.6
314.12772	0.6
319.99319	0.5
323.10391	0.5
323.13925	1.3
324.11072	0.5
325.11847	5.0
326.12613	4.8
327.13358	3.9
328.14166	6.6
329.14932	15.1
332.17764	0.4
335.10159	3.9
338.73660	0.4
339.13348	16.9
340.10516	1.4
341.11267	5.2
341.15018	11.2
343.12796	1.0
348.25461	0.4
353.11380	5.2
354.12030	1.4
355.12906	4.7
357.14343	1.5
358.15521	0.7
360.17184	0.6
367.12903	11.8
373.14005	0.6
385.13867	1.8
388.16672	0.5
390.18243	0.5
392.19717	0.6
402.18057	1.0
408.97000	0.5
409.20013	0.7
418.17404	0.4
424.22147	1.0
432.18884	0.4
434.20966	1.2
437.19641	0.4
444.19064	0.8
452.21704	1.2
460.18777	1.6
460.24374	0.5
462.20166	2.8
465.18765	1.7
466.23438	0.9
476.22064	1.1
478.19739	1.6
479.20291	0.7
488.18262	6.7
492.21271	1.8
494.22827	100.0
495.23083	2.1
506.12039	0.7
506.19165	9.4
520.20782	31.5
521.21088	0.5
538.21716	1.5
538.34747	2.1
539.11591	0.6
547.97162	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20932	0.3
53.03939	0.4
55.01860	0.4
55.05500	0.4
56.96551	0.4
58.99561	0.9
63.22540	0.3
65.03927	1.2
66.04674	0.3
67.05496	1.8
68.99778	0.3
69.07041	0.4
69.74696	0.3
70.06573	1.5
70.93656	0.9
73.01133	0.4
74.00661	3.2
79.05499	3.4
80.05003	1.3
81.03408	0.7
81.05780	0.7
81.07053	0.9
82.06573	1.9
84.04515	1.5
85.02904	0.5
86.00625	0.5
86.99020	0.9
87.04489	0.3
88.02189	0.3
89.03907	1.0
91.05465	3.4
92.04986	0.9
93.05768	0.9
93.06450	0.5
93.07034	7.9
94.06563	10.7
95.04993	1.6
95.07344	9.3
95.08602	0.9
96.04494	0.4
96.08126	20.9
97.06532	1.5
103.05470	1.9
105.04483	0.4
105.05755	0.7
105.07024	0.7
106.06567	1.6
107.04962	1.6
107.07307	0.7
108.04488	0.6
108.08113	14.7
109.08883	1.4
110.06014	0.4
110.09676	36.2
116.01688	2.1
116.04966	4.0
116.07053	0.5
118.06548	1.6
119.07249	0.3
119.08586	0.4
120.04466	6.7
120.08101	24.3
121.06483	0.8
122.06019	5.1
122.09650	0.7
123.06799	1.8
124.07591	8.4
130.05016	0.7
132.04422	0.4
132.08107	0.9
134.05988	2.0
136.07576	8.8
138.05519	5.7
138.09131	49.1
144.01158	1.1
144.04439	9.3
146.06013	6.1
148.03961	1.7
148.07556	7.4
148.08681	0.5
150.05507	2.2
150.09142	0.8
152.07043	2.0
154.08635	0.5
158.97643	2.8
160.03896	2.1
160.07535	0.4
162.02251	1.1
162.05499	4.9
164.07095	1.7
166.04988	5.7
166.08629	100.0
167.07364	0.4
168.08118	0.5
172.03926	36.7
174.05582	2.2
176.07051	0.5
177.05615	0.4
178.05016	1.9
180.06546	0.6
182.09712	0.8
183.09167	0.7
184.09970	1.0
185.06937	0.3
185.10817	0.6
186.05547	0.4
188.03487	0.4
188.07057	0.8
190.04976	17.7
192.06549	0.8
194.08185	0.5
194.09753	0.7
194.95326	0.5
195.09061	0.8
196.09950	1.1
197.10762	2.2
198.07716	0.5
198.11516	1.0
199.12300	0.5
202.05402	0.4
203.05713	0.3
204.06549	15.2
206.08113	0.5
207.09169	0.4
208.09764	0.6
209.10713	3.0
210.09274	0.5
210.11508	0.8
211.08690	1.3
211.12248	1.9
212.09421	3.6
213.10173	1.5
214.05075	0.4
216.06516	1.2
218.04515	0.7
220.07739	0.5
220.09897	0.5
221.10773	1.0
222.07686	1.5
222.11560	1.7
223.08572	2.1
223.12306	1.4
224.09427	5.1
225.10237	6.0
226.11009	0.8
227.08124	0.4
227.11798	2.7
229.13429	0.5
233.10779	0.6
234.09326	0.5
235.08589	2.3
235.12334	0.7
236.09421	3.7
237.10213	16.9
238.11035	2.7
239.08130	2.5
239.11749	5.0
240.08945	0.8
241.09691	4.2
245.12843	1.1
247.14467	1.4
248.09450	0.8
249.10207	2.9
250.07217	2.3
250.10999	1.4
251.08115	2.6
251.11778	9.3
252.08876	2.0
252.12538	1.4
253.09715	8.7
253.13385	1.4
254.10492	0.7
255.11319	2.5
257.12839	0.8
260.05362	0.4
261.10309	0.7
262.11057	0.5
263.08286	0.9
263.11780	2.1
264.08768	2.4
265.09711	23.5
266.10452	3.2
267.08188	0.5
267.11243	4.6
268.08447	1.3
268.11768	0.5
269.09378	0.4
269.12814	1.1
271.10773	3.7
273.12338	6.1
277.09790	0.7
278.06595	10.2
278.09998	0.6
279.11276	12.1
280.08459	2.6
280.12054	1.2
281.09244	2.6
281.12839	3.0
282.10147	0.7
283.10767	8.2
285.12378	2.6
289.09695	1.1
291.10864	0.6
292.08011	1.5
293.09189	24.4
294.09930	5.3
295.10736	1.4
296.11533	0.5
297.12317	7.6
298.09735	0.4
299.10269	3.2
299.13602	0.6
299.33173	0.4
300.11008	1.8
305.94449	1.3
307.10764	5.2
309.12308	4.4
311.10272	4.6
312.11008	4.6
313.11804	7.0
315.13388	0.3
317.09259	0.5
319.99115	1.0
323.10364	1.7
324.11090	0.7
325.11819	20.6
326.12378	0.6
327.13293	0.8
329.15182	0.5
330.15875	0.4
335.10226	9.1
339.09732	0.8
339.13522	0.7
340.10516	3.9
341.11304	30.4
342.12216	0.4
343.12894	3.5
344.13922	0.5
353.11288	26.1
355.12894	0.8
357.14340	2.1
360.16974	0.4
371.12283	0.8
373.13913	3.8
375.28552	0.3
378.18298	0.6
385.13940	5.1
390.18179	0.9
391.94501	3.0
400.16727	0.4
406.17712	0.6
408.19482	0.4
408.96985	0.7
418.17679	0.9
432.19244	1.0
436.18594	0.8
437.19449	1.6
438.20325	0.7
442.17691	0.9
444.19290	0.8
446.17206	0.6
460.18640	6.6
462.20258	0.9
464.18182	1.3
465.18924	10.5
470.16986	0.9
478.19717	9.6
488.18167	15.7
492.21582	0.4
506.19217	55.4
507.19485	0.5
510.22180	0.5
520.20874	0.9
538.21869	1.1
538.33722	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
55.05496	0.9
55.80664	0.7
65.03941	1.3
67.05489	1.8
69.07076	1.0
70.04059	3.1
70.06574	1.9
72.08123	1.2
72.30341	0.7
79.05486	3.7
80.05016	2.2
81.03418	1.0
81.05784	1.6
82.06568	2.8
83.08617	0.7
84.08159	0.8
85.02902	1.0
89.03905	0.9
91.05457	3.9
92.05012	1.2
93.07037	8.1
94.06563	10.4
95.04957	1.9
95.07349	8.2
95.08591	1.0
96.08121	20.1
97.06519	1.6
98.20701	1.5
103.05415	1.5
106.06547	1.2
107.04939	4.5
107.08548	0.9
108.04430	0.9
108.08100	15.3
109.08852	1.1
109.10173	0.7
110.09671	35.5
113.45641	0.8
116.04964	5.3
116.69765	0.7
118.06543	2.0
118.49938	0.7
120.04457	6.6
120.08088	25.9
121.06474	0.9
122.05996	5.1
123.04398	1.2
123.06733	0.9
124.07575	7.3
134.06004	2.5
134.43140	0.7
136.07568	11.0
138.05495	5.3
138.09126	46.6
144.04439	10.3
146.05997	6.8
148.03891	1.8
148.07542	8.0
150.05467	2.4
150.09131	1.5
152.07063	1.4
160.03909	2.1
162.05493	5.9
164.07057	1.0
166.04982	7.1
166.08624	100.0
168.08046	0.9
172.03917	40.6
172.45120	0.8
174.05521	2.3
178.04964	1.4
180.06480	1.1
184.10013	0.9
188.07097	0.9
190.04956	16.5
192.06497	1.3
194.08316	1.2
196.09900	1.0
197.10760	2.4
198.11496	1.5
204.06531	13.5
208.09746	0.9
209.10730	3.0
210.09244	0.9
211.08534	1.5
211.12251	1.8
212.09395	4.0
213.10187	2.4
216.06741	0.9
218.04425	1.3
221.10886	0.9
222.07858	1.1
222.11461	1.9
223.08601	2.2
223.12202	1.8
224.09415	5.1
225.10204	6.8
226.10858	2.1
227.11809	2.5
229.69894	1.0
234.09123	1.0
235.08649	2.6
236.09261	3.7
237.10201	16.9
238.10933	2.8
239.08154	1.9
239.11752	6.4
240.08714	0.9
241.09776	5.4
245.12787	1.6
249.10138	3.1
250.07249	2.8
251.08376	3.6
251.11749	9.6
252.08937	2.7
252.12486	1.7
253.09685	7.7
253.13519	0.9
255.11296	3.4
263.11652	1.9
264.08841	1.5
265.09674	24.4
266.10593	4.0
267.07602	0.7
267.11298	5.1
268.08453	0.9
269.12793	1.6
271.10767	4.4
273.12393	6.0
278.06570	9.1
279.11240	12.2
280.08316	3.0
280.11673	1.5
281.09164	2.4
281.12863	3.4
283.10831	8.5
285.12277	2.2
289.09647	1.5
292.08093	1.7
293.09171	26.5
294.10043	4.2
295.10831	2.5
296.11349	0.9
297.12292	7.4
298.09442	1.1
299.10388	4.7
299.13641	0.9
300.11041	2.5
307.10703	4.9
309.12231	4.2
311.10358	3.9
312.10959	5.7
313.11761	8.9
323.10156	1.7
325.11798	20.0
327.13171	0.8
335.10254	8.8
340.10486	4.2
341.11304	31.8
342.11591	0.8
343.12848	3.2
353.11224	27.3
357.14563	2.9
373.14041	4.5
385.13934	5.7
418.17633	1.7
432.19238	1.0
437.19095	1.1
460.18542	5.8
462.20239	1.3
464.17953	1.4
465.18875	10.4
470.17130	0.9
478.19733	9.7
488.18176	15.9
492.21631	0.9
506.19174	56.6
520.20605	1.1
538.21204	1.5
538.33740	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.9
56.05046	15.8
60.04519	3.1
61.01149	8.0
67.05511	4.5
67.32024	2.8
69.07060	5.2
70.06602	40.7
71.58244	3.5
72.08144	12.6
74.06073	5.6
79.05487	5.3
80.05023	3.6
81.07046	2.7
84.04510	11.3
84.08163	14.8
86.09711	35.5
91.05489	5.8
93.07037	11.9
94.06568	10.2
95.04977	3.0
95.07386	6.0
96.08125	19.8
98.06095	3.3
101.07162	4.7
102.05601	2.9
103.05463	4.0
104.05336	46.0
105.07038	3.7
107.04955	13.4
108.08121	15.2
110.07166	8.9
110.09686	32.0
112.08743	2.9
116.04964	4.7
120.04501	6.2
120.08109	37.3
122.06011	7.4
124.07582	8.2
129.10246	8.8
130.05066	3.4
130.06508	4.0
130.88914	2.4
131.04897	3.2
132.08167	2.6
134.05965	2.6
136.07564	13.0
137.05992	15.9
138.05522	2.8
138.09161	46.1
143.04886	2.9
144.04462	6.7
145.06116	2.9
146.06036	3.7
148.07553	6.9
149.07437	11.5
160.05156	4.3
166.04935	3.2
166.08667	100.0
172.03958	27.0
175.07513	19.2
178.05000	3.7
184.07335	13.4
187.07455	5.1
190.05025	16.9
204.06612	10.5
205.08655	2.7
210.15091	3.3
215.13376	3.0
224.09473	3.6
225.10393	5.1
232.45227	2.9
235.09720	4.3
236.09555	4.2
237.10310	12.2
238.10976	4.7
239.08273	2.8
239.11913	4.4
241.09872	4.9
243.07938	4.2
251.08160	2.6
251.11867	6.4
253.09743	7.4
255.11229	3.0
260.10620	23.0
265.09796	18.3
266.10510	6.0
273.12387	5.0
278.06567	8.4
279.11221	9.9
279.17215	3.1
280.08597	5.1
280.11749	3.3
283.10779	8.5
293.09171	21.2
294.10107	4.3
297.12350	7.9
299.06241	2.7
307.10767	4.8
311.10028	2.9
312.11038	4.5
313.11716	3.8
325.11920	16.0
335.10355	9.6
341.11243	26.7
343.13065	4.0
353.11285	28.8
373.19244	3.4
385.14041	7.9
397.22049	7.7
411.26358	2.4
431.56116	2.9
442.17221	2.9
460.18527	8.3
465.18900	12.2
478.19800	8.4
488.17920	11.0
495.35428	3.7
506.19244	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	1.5
65.03924	2.1
65.05615	1.5
67.05513	3.3
69.03429	1.6
69.07031	1.8
69.41760	4.9
69.42180	7.0
70.06591	9.9
72.08131	3.2
79.05482	4.6
80.05007	2.1
81.03417	2.5
81.07035	2.8
82.06570	3.2
83.08575	2.2
84.04517	2.3
84.08134	4.4
85.02889	4.8
86.09692	5.2
87.04456	1.8
89.03871	1.7
89.06045	2.5
90.20948	1.4
91.05453	6.1
91.57491	1.3
93.07040	8.3
94.06561	12.8
95.04983	2.3
95.06065	2.8
95.07360	8.4
95.08572	1.9
96.08125	23.3
97.02856	2.5
97.06501	3.9
103.05460	1.9
105.07002	2.0
106.06543	2.1
107.04953	21.1
108.05286	1.7
108.08117	15.7
110.09676	36.0
116.04958	5.6
117.06980	2.9
118.06509	3.6
119.08511	1.4
120.04446	8.1
120.08105	30.2
121.02859	3.4
121.06516	1.7
122.03206	2.2
122.06017	5.5
123.06779	2.1
124.07553	9.2
129.10213	3.3
133.08620	1.6
134.06041	2.4
136.07568	15.2
138.05487	7.0
138.09126	50.2
138.10190	2.7
143.56752	1.4
144.04439	10.3
146.06018	8.6
148.03941	1.8
148.07593	8.8
150.09081	2.6
152.07079	3.4
155.86618	1.4
158.11705	1.3
160.03951	2.5
162.05498	4.2
164.07082	2.3
166.04936	6.0
166.08632	100.0
172.03931	52.0
174.05455	2.3
178.05005	1.6
190.04987	20.4
192.06577	1.7
196.09932	1.8
197.10643	1.5
204.06563	40.2
209.10744	2.8
210.11586	1.8
211.12459	2.2
212.09433	3.3
220.09875	1.5
222.11348	1.6
223.08653	2.7
224.09427	4.6
225.10184	4.0
227.11823	2.4
234.11308	1.6
235.08604	2.8
236.09424	4.2
237.10190	17.3
238.10974	5.0
239.08064	3.4
239.11728	6.6
241.09656	4.1
249.10220	3.0
250.10826	2.5
251.08121	2.2
251.09424	1.5
251.11745	12.4
253.09639	9.7
255.11232	4.0
263.11829	3.6
265.09708	25.0
266.10382	3.9
267.11292	4.0
269.12695	1.7
271.10709	4.6
273.12338	6.0
278.06522	9.7
279.11246	12.9
280.08414	3.9
281.09610	1.3
281.12738	3.5
283.10760	8.7
285.12186	1.7
289.09415	1.7
292.08170	1.7
293.09238	22.5
294.09970	4.7
297.12317	9.1
299.10400	2.8
300.11044	1.8
307.10590	6.7
309.12296	6.3
311.10291	5.4
312.11050	5.0
313.11813	7.0
323.10138	2.2
325.11801	18.9
327.13214	2.0
332.13882	1.4
335.10242	7.5
337.11865	2.0
340.10345	2.5
341.11295	37.5
343.12881	4.1
353.11285	25.6
357.14395	8.3
367.12967	1.8
373.13922	4.3
385.13879	6.4
460.18689	7.9
464.17804	2.5
465.18982	9.8
478.19705	12.3
488.18259	16.0
506.19220	61.1
506.26700	3.2
520.20490	4.4
538.22101	2.1
538.32477	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	538.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73444	1.0
57.20611	1.1
63.32658	0.9
69.69629	3.0
69.70044	3.9
70.06585	2.5
77.48064	0.8
89.03893	1.2
91.05474	1.3
98.21494	1.7
103.05463	6.7
107.04949	5.1
108.35777	1.3
117.03325	1.2
120.08102	100.0
121.08363	1.1
131.04935	2.0
135.04364	1.1
136.07532	1.1
149.05992	2.0
163.03926	6.2
166.08638	46.0
257.76489	1.0
480.38834	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72011	5.9
53.03944	5.8
55.05510	22.9
57.03438	18.1
57.07076	42.9
62.83747	6.3
67.05505	51.1
68.77221	5.8
69.07062	17.2
71.08639	28.8
79.05481	64.5
81.03432	5.4
81.07051	52.7
83.04974	21.5
83.08617	21.8
85.10179	13.6
91.05474	50.5
93.07044	54.5
93.42236	5.2
95.04969	20.9
95.08593	44.9
97.10172	11.1
103.97736	5.5
105.07020	41.7
107.08569	15.2
109.10161	18.3
110.48037	6.0
117.07066	6.5
119.08580	28.1
123.08061	7.1
128.06248	7.5
129.07001	17.2
133.10077	8.2
143.08517	9.8
145.10135	13.4
147.11684	33.0
161.13292	8.6
171.11699	31.0
189.12720	15.5
207.13820	34.5
210.79608	4.8
225.14940	6.6
239.23828	6.1
281.17477	100.0
297.20819	5.6
313.27335	62.6
348.03683	6.3
519.40454	86.7
537.38641	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	537.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
55.01855	14.9
55.05298	3.6
55.05505	36.3
56.96557	10.5
57.03424	13.9
57.07065	6.4
59.05003	6.8
61.02911	16.4
65.03935	6.5
67.05159	5.7
67.05495	65.9
68.99788	7.6
69.03419	38.6
69.07059	57.8
69.70676	13.3
69.71095	9.1
70.04059	10.6
70.06573	15.2
71.04986	34.1
73.02907	11.8
79.05482	58.4
80.68273	3.5
81.03410	26.4
81.07047	100.0
83.04961	14.1
83.08620	15.5
84.08132	8.0
85.02897	60.7
85.06534	5.9
87.00816	22.7
91.03978	4.9
91.05460	43.8
93.07033	76.6
95.04951	26.0
95.08598	69.9
97.02881	30.1
97.06516	10.6
97.10163	9.5
98.20840	4.0
98.98458	19.1
99.04436	11.4
99.08078	6.4
103.03886	8.2
105.01848	9.0
105.07011	72.9
107.04933	22.5
107.08584	73.5
109.02856	13.6
109.06515	14.4
109.10149	85.1
111.04432	14.2
111.08051	7.6
111.11703	5.8
115.03900	9.6
117.07004	15.7
119.08566	68.0
121.06488	13.3
121.10123	39.0
123.04385	7.6
123.08068	12.7
123.11700	16.4
125.09612	16.1
127.03907	20.1
127.11167	54.8
128.06227	7.0
129.05438	3.8
129.06979	13.4
131.08566	38.4
133.06511	7.4
133.10121	41.2
135.08022	11.4
135.11653	25.7
137.05972	4.0
137.09613	6.8
137.13269	5.2
139.07489	5.8
141.06934	3.6
142.07762	7.1
143.08545	23.3
145.04955	6.4
145.10112	47.0
147.02945	6.5
147.08014	8.6
147.11676	34.4
149.09587	6.3
149.13249	23.6
153.12700	10.8
155.08527	8.9
156.09337	6.1
157.10117	26.1
159.02859	7.0
159.08011	7.7
159.11665	51.4
161.09552	5.5
161.13237	22.2
163.14816	8.5
165.06950	4.5
165.09157	3.8
169.10185	17.2
171.11617	22.6
173.09612	9.5
173.11858	7.8
173.13216	29.5
175.11157	6.1
175.14803	18.3
177.16345	8.1
179.08583	3.6
179.14296	5.8
181.10135	8.7
183.11673	12.8
185.13263	11.6
187.11206	6.8
187.14822	16.3
189.12700	5.6
189.16386	13.3
191.18085	4.3
193.10268	4.1
193.15845	11.0
195.11697	5.9
195.17531	4.5
197.09630	4.2
197.13226	8.5
199.14812	12.0
201.03882	4.3
201.12665	5.3
201.16327	19.5
202.67366	3.7
203.17963	10.2
207.11787	3.6
209.13275	5.2
211.14799	4.1
213.16380	12.3
215.17940	10.1
219.13771	3.6
223.13145	6.5
225.16457	10.3
227.17943	10.7
229.07359	3.8
229.14076	7.0
241.19415	4.4
249.16637	4.9
269.10666	5.4
271.24268	7.0
273.18353	8.5
275.20181	5.3
285.09988	4.4
287.23553	5.0
291.19501	30.2
293.19147	6.9
301.25150	5.2
313.25232	6.7
331.26154	4.1
349.16681	5.4
355.26407	3.6
361.25134	6.9
365.23172	35.1
367.18283	3.9
379.26114	15.7
383.17212	8.7
397.27365	10.0
451.23083	5.3
483.27417	6.3
501.28510	11.6
519.29266	10.2
537.29926	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.7
55.01857	13.1
55.05511	31.7
56.96555	4.3
57.03431	8.8
57.07067	9.4
57.26246	3.8
59.05000	3.6
61.02922	17.9
65.03921	3.9
67.05502	58.7
68.99776	13.0
69.03427	56.5
69.07061	57.7
69.26617	9.8
69.27026	27.7
70.04072	5.4
70.06580	12.3
71.04983	30.2
71.08604	5.3
73.02912	8.3
79.05486	48.2
81.03409	44.8
81.07047	100.0
83.04971	10.1
83.08623	22.0
84.08086	3.9
85.02420	6.0
85.02898	65.5
85.06535	6.2
87.00826	28.2
87.04464	4.7
91.03934	4.0
91.05472	37.5
93.07035	73.3
95.04961	19.1
95.08598	93.1
97.02882	35.0
97.06525	6.8
97.10155	17.9
98.20660	7.4
99.04440	13.9
99.08088	6.8
103.03952	5.7
105.01853	12.7
105.07027	64.9
107.04929	23.1
107.08589	78.4
109.02876	35.6
109.06497	10.6
109.10152	78.3
109.10688	2.0
111.04416	12.4
111.11685	6.8
115.03925	10.7
117.06997	14.5
119.08568	63.7
121.06459	4.5
121.10131	58.6
123.04391	4.8
123.08085	7.8
123.11673	30.7
125.09617	11.1
127.03891	46.4
127.11185	31.0
128.06242	6.0
129.01822	15.5
129.06998	9.8
131.08583	23.9
133.06499	4.0
133.10106	43.0
135.08035	8.8
135.11673	37.9
135.37375	3.9
137.09573	10.3
137.13222	11.5
141.06976	4.3
142.07741	5.1
143.08542	15.9
145.04919	12.9
145.10107	41.4
147.02872	7.0
147.11687	36.9
149.09604	4.2
149.13235	42.8
151.14876	3.9
155.08551	7.6
156.09283	5.1
157.10112	21.2
159.02904	14.5
159.11684	43.7
161.09610	5.6
161.13222	34.6
163.07538	4.4
163.11119	5.5
163.14804	31.4
165.12593	4.1
168.09265	4.7
169.10095	6.8
171.11620	18.6
173.11850	6.9
173.13182	29.2
175.14822	15.7
177.16319	10.2
179.14258	5.2
183.11636	12.1
185.13200	11.9
187.14740	23.8
189.04004	6.9
189.12733	4.5
189.16406	18.4
191.14333	4.6
191.17952	10.2
193.15939	6.4
197.13187	6.4
199.14746	11.8
201.16370	19.4
203.17938	12.2
205.19481	4.9
209.13245	8.6
211.14847	7.5
213.16394	11.7
215.17903	19.7
217.19528	10.1
219.04991	5.0
219.17421	4.4
227.17879	8.9
229.14381	5.4
231.04947	8.9
239.14162	4.1
251.18076	5.7
257.18961	4.2
259.24243	6.1
261.25784	7.3
269.22620	8.8
271.24261	33.9
275.20111	6.8
283.23996	4.4
287.23779	18.3
289.25113	19.4
291.19580	7.8
299.23645	5.1
301.25256	7.6
311.11026	3.6
311.20215	4.2
313.25296	7.3
331.26208	4.6
379.26147	11.1
383.17410	6.7
397.18787	4.0
397.27289	11.7
465.25067	3.8
483.27579	5.5
501.28165	10.1
519.29321	14.1
537.30219	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	536.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	46.8
57.07072	37.3
58.12209	15.2
64.23878	15.0
67.05505	70.8
69.07069	75.7
71.35598	30.3
81.03384	15.7
81.07065	100.0
81.92738	14.8
82.26947	15.7
83.08608	71.0
86.09758	23.0
91.05873	15.0
93.07050	36.5
95.08616	89.7
97.02918	19.8
97.10162	30.4
104.10748	39.8
105.06999	35.4
107.08591	31.3
109.10168	36.3
111.11746	20.0
121.10162	44.6
123.11679	17.3
127.13161	14.7
135.11688	48.6
146.57841	14.7
149.13298	23.7
184.07341	44.4
247.24263	42.5
265.25256	88.2
299.06033	25.3
329.65549	15.5
334.01801	19.0
339.29068	81.6
357.30167	27.5
391.28149	20.0
409.71912	15.4
434.94904	18.4
536.33563	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	537.3034
Annotation	Lys Phe Asp Lys
Peak:m/z	Relative Intensity
55.05497	1.1
56.38963	0.3
57.07062	0.5
67.05494	2.0
69.07051	0.7
71.04993	0.3
71.59760	0.5
75.52286	0.3
79.05480	1.1
81.07040	1.3
83.08611	0.7
84.05370	0.3
89.06026	1.2
91.05462	0.9
93.07037	0.9
95.04920	0.5
95.08601	0.9
95.70172	0.3
97.10176	0.4
105.07021	1.8
107.04939	0.4
107.08606	0.3
109.06505	0.3
109.10133	1.3
111.08078	0.3
119.08551	0.8
121.10096	0.4
131.08516	0.3
133.08548	0.4
133.10130	0.4
135.08083	0.3
145.10110	0.7
147.11681	0.5
154.35832	0.3
173.11786	0.4
203.05240	0.8
209.13202	0.4
227.12415	0.3
229.14241	0.5
259.07965	0.5
273.18436	0.4
291.19595	0.5
293.14719	0.3
293.21368	0.3
301.20209	0.9
319.21295	0.4
537.30310	100.0
538.30536	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	536.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.2
57.07072	1.6
58.06586	1.1
59.44484	0.9
60.08162	11.0
62.30704	0.8
67.05507	1.9
69.07066	2.9
70.84873	2.7
71.07373	4.5
81.07056	1.6
83.08631	1.9
86.09704	42.9
91.05813	1.6
93.07045	1.6
95.08620	2.3
98.98488	3.3
104.10744	43.0
109.10163	1.4
112.98502	0.8
115.55404	0.8
117.23337	1.0
121.10136	1.5
125.00011	25.8
161.60933	0.9
167.05620	1.2
184.07344	100.0
247.24295	1.1
265.25287	3.6
269.34879	1.0
293.24905	0.9
299.06039	1.9
328.39517	0.9
339.29016	1.8
362.59515	0.8
518.35992	3.8
536.37152	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	536.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	21.7
57.07056	13.3
60.08171	12.1
67.05508	26.3
69.03408	8.4
69.07059	33.3
69.67822	46.4
70.49868	7.2
71.07352	13.1
79.05487	17.0
81.07050	37.8
83.08620	29.3
86.09705	53.5
93.07030	16.0
95.08591	46.8
97.06471	10.2
97.10164	18.5
98.21395	13.8
101.78027	8.1
104.10736	91.5
105.07066	13.0
109.10163	24.9
111.08051	9.7
111.11725	11.5
121.10131	25.0
123.11662	11.6
124.99998	28.2
135.11719	16.5
149.13237	9.0
184.07343	100.0
193.50403	8.7
219.89665	8.3
223.80385	8.1
247.24184	22.2
265.25244	54.1
299.06110	14.7
339.28873	32.2
536.36890	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	536.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49640	0.2
55.05500	0.2
56.05050	0.4
58.06621	0.5
60.08165	6.5
67.05499	0.4
67.55582	0.2
70.06596	0.4
71.07375	3.2
71.08620	0.5
79.05486	0.2
81.07049	0.4
86.09708	31.8
87.10694	0.2
90.84708	0.2
93.07014	0.3
95.04951	0.2
98.98465	3.3
99.08094	0.2
104.10738	3.5
107.04982	0.2
123.45025	0.2
125.00006	18.6
140.01039	0.2
143.01064	0.5
164.08624	0.2
167.05548	0.6
181.15997	0.2
184.07344	100.0
185.07732	0.4
258.10986	0.4
299.06161	0.9
326.69611	0.2
331.56082	0.2
415.03598	0.3
449.28543	0.3
518.32104	1.1
536.26831	0.3
536.33624	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	536.371
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34420	0.6
58.06630	0.5
60.08162	6.8
62.04069	0.6
63.91527	0.5
69.42672	2.9
69.43092	1.8
71.07375	2.7
72.93928	0.6
81.86704	0.6
86.09708	30.6
91.05821	0.8
95.87032	0.6
96.22739	0.7
98.20692	1.2
98.98471	3.5
104.10746	4.2
125.00002	19.1
143.40988	0.6
181.43614	0.5
184.07341	100.0
254.07205	0.6
262.25262	0.9
281.81726	0.6
299.06287	0.7
414.71033	0.6
457.29053	0.7
518.36090	1.4
536.36908	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.4
56.05007	1.1
57.03434	1.2
58.06606	1.4
60.08167	15.3
63.05194	0.7
64.58333	0.7
67.05496	3.7
69.07055	1.5
70.06597	1.1
71.07373	5.4
71.08663	1.1
71.59409	1.1
79.05463	1.0
81.07069	3.2
86.09705	44.1
91.05791	2.8
93.07047	2.1
95.08614	2.0
98.98472	3.1
99.08124	0.9
103.84497	0.9
103.85223	1.0
104.10745	72.8
109.10162	1.4
111.84531	0.9
121.10153	1.3
123.11628	1.4
125.00009	25.3
125.00893	1.6
131.08554	1.0
147.11702	1.2
155.44119	0.9
167.05573	3.4
184.07346	100.0
185.07639	0.9
299.06189	3.1
351.25427	1.0
355.64038	1.0
518.32306	5.5
536.33594	18.0
554.38525	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	1.0
60.08162	9.9
67.05499	2.0
69.90148	2.9
71.07374	5.8
81.07039	2.1
86.09706	44.0
87.10051	1.1
93.07076	1.3
95.08610	0.9
98.21527	1.1
98.98462	3.2
104.10740	56.4
114.50176	0.8
116.99596	0.8
124.99997	22.9
160.90834	0.6
180.41548	0.8
184.07341	100.0
185.07697	2.4
207.00545	0.7
207.38480	0.9
221.03018	0.8
374.44965	0.8
490.04584	0.8
500.31378	3.9
518.32416	20.8
519.32697	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.3
56.05038	0.4
58.06603	0.4
60.08162	6.0
61.85355	0.3
67.05495	0.6
70.06580	0.5
70.35988	0.2
70.94939	0.5
71.07375	3.0
71.08623	0.3
81.07046	0.8
86.09704	29.0
91.05824	0.5
93.07043	0.4
95.08586	0.4
98.98469	3.1
104.10741	6.3
107.04943	0.3
123.33066	0.2
125.00001	20.5
125.79700	0.3
126.00372	0.2
143.01044	0.5
157.10010	0.2
166.02690	0.2
167.05559	0.7
178.98326	0.2
184.07336	100.0
185.07700	0.8
244.18556	0.2
247.93411	0.2
258.11096	0.4
299.06180	1.2
326.26944	0.2
344.97565	0.3
346.15952	0.2
518.32355	1.8
536.33325	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	536.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
55.05499	1.4
56.05029	0.6
56.96552	0.6
56.97894	0.3
57.03425	0.8
57.07054	0.5
58.06578	0.3
60.07877	0.4
60.08160	6.4
61.02912	1.3
67.05499	2.7
69.03424	0.9
69.07057	1.5
69.59693	2.5
70.06580	1.3
71.04959	0.6
71.07362	2.9
72.08166	0.4
73.02879	0.5
74.87103	0.3
74.97520	0.4
78.10529	0.3
79.05488	2.1
81.03388	0.7
81.07047	2.8
83.08630	0.5
85.02878	1.2
85.06521	0.5
86.09700	29.1
91.03941	0.7
91.05454	1.8
93.07037	2.2
95.04947	1.0
95.06060	0.3
95.08586	1.2
97.02856	1.0
97.06507	0.7
97.10164	0.4
98.98459	2.9
99.08083	0.4
104.10728	2.6
105.07007	1.2
107.04939	1.6
107.08580	1.2
108.05343	0.4
109.06516	0.6
109.10145	1.0
111.08141	0.4
113.04519	0.3
113.06026	0.4
117.06977	0.4
119.08555	1.0
119.68858	0.3
121.06430	0.5
121.10191	0.5
124.99996	19.3
127.03827	0.3
129.06976	0.3
131.08571	0.4
133.10106	0.6
135.08038	0.6
145.10103	0.7
147.11679	0.7
149.09604	0.7
157.10091	0.4
158.97580	0.4
184.07326	100.0
229.14290	0.4
291.19431	0.6
299.06116	0.5
325.40598	0.3
351.25226	0.5
362.20233	0.3
363.12396	0.9
365.15424	0.6
500.31369	0.8
518.32349	5.0
536.33002	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47187	0.3
53.03938	1.3
55.01865	0.5
55.05502	0.6
56.96555	0.5
56.98360	0.3
57.07055	0.3
61.02916	0.4
67.05492	0.9
69.03404	0.3
69.07073	0.5
70.04060	0.4
70.06573	2.5
71.21104	0.4
71.21448	0.5
73.39187	0.3
79.05495	3.0
81.07046	1.3
83.08592	0.4
84.04478	0.8
84.08145	1.0
85.02888	0.8
86.09698	0.5
89.98383	0.3
91.05472	1.1
93.07026	1.5
94.06548	0.6
95.04956	2.8
95.08598	1.0
96.08118	0.8
97.02894	0.7
97.31000	0.3
100.91576	0.3
105.04504	0.7
105.07024	0.6
106.06507	0.5
107.04948	100.0
108.05257	0.7
108.08099	2.3
109.10162	0.5
110.09663	0.8
118.06535	0.3
119.04916	0.5
119.08517	0.3
120.08088	1.3
121.06477	0.3
121.08873	0.4
121.10139	0.3
122.09670	0.5
124.07597	0.9
129.10255	0.6
130.06476	0.3
134.06027	0.6
134.09644	0.9
135.08073	0.4
136.07578	1.2
138.09128	0.4
146.09586	0.5
148.07545	1.0
149.06064	0.4
149.08363	0.5
149.13260	0.4
150.09160	0.9
152.07039	0.8
160.07596	0.4
162.05527	0.6
162.09105	0.7
164.07042	0.7
166.08675	0.9
166.15906	0.8
176.07042	1.2
176.14371	1.5
178.15891	1.3
180.06535	6.4
184.07448	0.3
190.08626	1.0
204.10202	0.3
204.13809	0.9
206.08189	0.6
206.15398	2.6
211.02835	0.4
218.15366	0.4
230.15343	0.4
232.13390	0.9
232.16997	0.8
234.14859	1.6
234.18533	1.1
236.09164	0.6
246.14738	0.4
250.14365	37.8
254.10310	0.3
260.16443	1.2
262.14374	0.6
264.15961	1.1
276.15924	2.0
278.17480	0.8
280.19147	0.4
288.15866	0.5
292.19128	0.5
298.10776	0.4
299.06262	0.4
306.16898	3.1
322.16528	0.7
324.18024	59.0
325.18216	0.8
336.18039	2.5
351.09750	1.0
371.12469	0.7
372.14676	0.4
428.20575	1.0
430.22223	57.6
431.22559	1.1
486.14261	0.3
536.19849	0.6
536.32391	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	536.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03902	0.7
57.03417	0.5
67.05479	1.2
69.03393	0.5
70.06547	2.2
71.12238	0.9
79.05456	1.3
81.07005	1.6
84.08102	1.0
85.02874	0.7
85.27924	0.6
91.05409	1.1
93.06990	2.0
94.06509	0.8
95.04900	1.5
95.08550	1.0
97.02896	0.5
103.05444	0.6
105.06969	0.8
106.06494	0.7
107.04944	20.5
107.07324	3.4
107.08491	0.5
107.44166	0.5
108.08140	2.8
109.10110	0.6
120.04462	3.6
120.08025	1.7
121.02832	0.6
121.08834	0.8
122.05984	0.9
122.09647	5.6
124.07536	0.6
135.06696	0.9
136.07518	1.5
136.11188	2.7
138.09097	0.6
148.07533	1.0
150.09131	23.1
152.07016	1.8
162.09106	0.5
165.11453	0.6
166.08586	1.4
166.12256	0.7
176.10637	0.9
180.06534	1.2
185.10805	0.8
192.06471	0.6
194.08051	1.3
196.09904	0.7
197.10538	0.6
209.10693	0.7
211.12236	1.0
212.09187	0.7
223.08652	1.2
223.12215	1.3
224.09340	1.3
225.10182	4.2
227.11839	0.7
229.13074	0.6
235.08514	1.5
236.09357	1.0
237.10176	8.3
238.10945	1.9
239.08061	1.4
239.11755	3.9
241.09692	0.8
248.09244	1.6
249.10217	7.1
250.10997	2.9
250.14316	7.2
251.08105	4.0
251.11800	8.2
252.08963	0.8
252.12468	1.3
253.09697	6.7
254.10580	0.7
255.11308	0.8
261.10229	3.9
262.10965	1.6
263.08554	0.7
263.11752	4.3
265.09665	11.9
265.12894	0.7
265.13492	0.6
266.10416	2.3
267.11264	5.4
269.12796	1.1
271.10959	2.6
271.14325	2.2
276.08801	0.6
277.09604	3.5
278.07581	0.8
278.10394	5.1
279.07672	3.6
279.11249	11.6
280.08899	0.5
280.11987	1.6
281.09131	2.8
281.12827	1.8
282.09897	0.7
283.10791	7.6
283.14090	0.9
285.12241	1.4
289.09671	7.0
290.10190	0.6
291.11105	2.6
293.09171	1.5
293.12814	6.2
294.10013	7.0
294.13272	0.8
295.10797	4.1
296.11533	1.6
297.08862	0.7
297.12292	1.4
299.06393	0.6
299.10242	2.1
305.09399	0.7
306.09702	1.3
307.10767	4.0
308.11475	1.4
309.08994	1.0
309.12271	3.5
311.10181	7.3
311.13882	2.3
312.11047	3.2
313.11700	1.4
314.12607	2.9
317.09119	1.0
321.08844	0.7
321.12439	0.8
323.10394	0.7
323.13876	1.7
324.11026	2.0
324.18008	11.5
325.11716	1.0
326.12585	5.9
327.13333	9.2
335.10245	12.0
336.18228	0.7
337.11728	1.4
339.13358	68.2
340.10419	2.1
342.16217	0.7
352.10507	1.1
354.12094	3.5
355.12839	13.2
360.17007	1.0
367.12869	48.8
368.13190	1.2
371.12418	1.1
383.12344	0.7
386.14594	0.7
420.18982	0.7
430.16983	1.0
430.22244	10.8
434.20822	0.6
435.21725	1.2
444.19266	2.1
445.20026	0.6
463.21191	1.1
472.18634	12.7
476.21735	7.5
497.84747	0.6
504.21265	100.0
505.21750	2.4
522.22437	1.4
536.23962	5.2
536.31012	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01852	0.4
58.99576	0.5
59.04985	0.3
62.36662	0.2
66.44080	0.2
69.03412	0.3
70.03146	0.8
70.03563	0.6
70.06568	0.4
73.02885	0.3
76.02214	1.9
77.03902	0.4
79.05501	1.3
81.03404	1.1
83.04990	0.3
84.04479	0.7
86.09682	0.5
87.04462	5.8
89.06013	2.0
89.87471	0.2
95.04959	1.9
98.20801	0.3
99.04447	0.6
107.04943	100.0
108.05276	0.5
113.05976	0.8
116.01666	0.6
130.05014	0.6
131.07079	0.8
133.08585	1.1
144.01186	0.4
158.99142	0.3
162.02161	0.9
175.06079	0.4
175.09612	0.3
177.03299	0.5
177.11256	0.3
179.04848	2.2
193.12288	0.4
211.13304	1.1
233.05940	0.5
233.10275	0.4
251.09143	0.3
262.20874	0.2
267.52646	0.2
308.09039	1.7
381.78568	0.3
437.91248	0.3
453.94699	0.3
521.75452	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.5
53.03941	1.3
53.62695	0.5
55.01866	0.5
55.05506	1.3
56.05020	0.9
58.99583	3.0
60.04501	0.5
65.46523	0.4
67.05498	1.0
69.03426	1.7
69.07054	0.6
69.78802	2.6
70.02963	0.4
70.06590	9.6
71.04993	0.7
71.39348	0.4
71.74710	0.4
72.08153	2.0
74.00647	0.7
74.06084	0.6
76.02224	14.3
76.03996	1.1
79.05498	2.1
81.03409	4.9
81.07047	1.7
83.04971	1.4
83.08623	1.1
84.04504	6.0
84.08151	3.3
85.02892	1.6
85.04030	1.1
86.09691	4.1
86.99036	0.5
91.05473	2.0
92.01720	0.6
93.07053	0.9
95.04977	2.7
95.08601	0.6
96.81656	0.5
97.02895	1.4
98.20841	0.7
99.04443	0.7
102.05545	0.8
104.10735	0.6
105.07011	1.1
107.04953	100.0
108.05283	1.0
109.02900	0.6
110.07150	2.4
116.01674	3.8
117.05492	0.6
119.08582	0.8
119.61650	0.4
120.08080	2.2
121.10177	0.4
127.03923	1.5
129.10263	1.8
130.05023	2.8
131.04561	0.5
133.06548	0.5
136.07578	1.2
142.03241	1.5
144.01106	2.5
145.04976	1.2
147.11667	0.5
162.02205	6.5
175.11183	0.9
177.03307	1.6
179.04851	15.5
187.05405	0.7
193.12224	2.6
205.06454	0.4
211.13269	5.1
221.06790	0.4
231.04439	0.5
233.05968	3.9
245.05948	0.6
261.09711	0.6
279.10855	1.5
282.43738	0.4
291.06488	0.5
299.06207	0.8
308.09128	10.9
334.57492	0.4
407.19757	0.4
472.06339	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.9
55.05501	5.4
57.98820	1.8
58.99587	14.3
67.05486	5.3
68.11707	1.8
69.48853	5.2
69.49279	9.8
70.06581	2.7
76.02225	86.2
76.04009	2.3
79.05487	5.7
81.03414	22.4
81.07041	6.3
83.04966	7.3
83.06090	2.1
83.08601	7.9
84.04506	24.6
86.99077	3.3
88.02209	3.0
91.05470	6.9
95.04957	7.5
97.08657	1.9
105.07036	5.6
111.08083	4.1
113.00434	1.9
116.01686	19.7
117.61799	1.8
119.08604	4.3
124.14298	1.7
127.40512	1.8
129.07054	2.2
130.04994	14.4
131.08592	3.0
133.10144	2.3
142.03214	9.9
144.01154	12.9
147.11665	3.5
147.70706	1.7
157.10133	2.4
162.02197	37.1
170.02681	3.7
172.60780	1.7
175.11209	4.6
177.03304	5.0
179.04854	100.0
187.05399	3.0
193.12248	17.8
205.06442	1.6
211.13268	29.3
215.04829	2.9
233.05927	20.9
245.05832	2.6
291.06415	3.0
308.09097	81.6
371.16360	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	535.3394
Annotation	Taumycin B
Peak:m/z	Relative Intensity
53.62793	1.5
61.46358	1.5
61.68921	1.9
67.05516	2.5
79.05479	2.1
81.07065	4.5
93.07047	3.9
95.04942	2.0
95.08605	3.7
105.07053	4.7
107.08593	4.5
109.10167	2.6
114.48934	1.7
119.08607	3.9
121.10139	3.0
123.11683	3.8
131.08618	2.8
133.10153	3.7
135.11736	1.9
145.10153	3.5
147.11729	2.2
157.10152	2.4
159.11702	3.1
175.14909	2.2
191.80289	1.8
283.16919	1.9
313.92075	1.9
339.08707	1.9
340.23502	2.3
391.93246	2.1
458.36218	1.8
475.31842	14.9
476.44363	2.0
516.34924	2.6
533.85858	2.0
535.33954	100.0
536.34198	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	535.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41276	1.8
51.53633	1.7
53.03947	17.0
55.01872	13.4
55.05508	15.8
57.03436	10.5
57.07062	3.8
60.08148	2.3
61.02909	9.3
65.03930	4.2
67.05173	2.1
67.05504	23.6
68.99768	5.6
69.03079	3.5
69.03429	54.2
69.07062	19.3
71.04980	8.8
73.02910	13.2
73.38942	1.8
74.11058	1.9
79.05057	2.4
79.05490	26.0
81.03414	58.8
81.06570	3.7
81.07053	72.2
83.04967	2.0
83.08607	7.6
84.12078	2.0
85.02901	100.0
86.09702	4.4
87.00822	38.4
87.10012	2.1
91.03934	5.5
91.05476	38.0
93.07035	71.7
95.04959	10.0
95.08598	32.6
97.02876	36.3
97.10155	3.5
99.04433	25.1
104.10744	2.3
105.01859	26.1
105.07026	60.2
106.51421	1.9
107.04938	4.4
107.07852	4.2
107.08582	74.5
109.02880	51.9
109.06531	3.6
109.10144	29.6
115.03917	4.6
117.01829	8.9
117.07001	9.2
119.08572	48.5
121.10129	32.0
123.11705	8.3
124.99994	4.8
127.03912	74.9
128.06192	2.0
129.01825	8.1
129.06993	6.7
131.08545	17.4
133.10124	31.9
135.08073	3.7
135.11684	21.9
137.13239	2.4
142.07739	6.5
143.08546	16.8
144.09332	3.9
145.04955	27.2
145.10114	39.2
147.02882	6.6
147.11676	38.8
149.13268	12.9
155.08492	2.7
156.09328	6.2
157.10110	26.5
159.02893	33.2
159.11685	44.1
160.12491	2.6
161.13252	25.0
163.14812	6.6
169.10097	4.8
171.11673	24.2
172.12357	2.3
173.13287	22.7
175.14813	16.1
183.11687	5.4
184.07384	15.8
185.07666	5.0
185.13240	14.3
187.14812	16.4
189.03964	3.1
189.16400	7.2
197.13271	4.5
199.14824	20.3
201.16364	14.2
211.14824	5.5
213.03967	3.6
213.16385	29.0
215.17810	3.2
217.15837	2.8
225.16336	3.8
227.17957	13.1
229.19571	13.3
231.04939	13.7
241.19508	3.3
267.21103	3.4
269.22626	67.2
271.24091	4.7
285.22168	5.0
287.23712	20.8
311.23889	2.7
377.24695	3.1
396.77264	2.1
499.26453	2.8
517.27502	3.6
535.28851	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	535.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
66.82898	0.6
69.39983	0.4
69.52410	3.6
79.05485	3.3
81.03415	0.8
81.07047	4.5
93.05781	0.7
94.06563	1.6
96.08116	1.7
106.06583	0.8
107.04948	29.0
108.08153	0.9
108.59216	0.4
109.05281	0.5
109.06477	0.6
110.06039	3.8
123.06819	2.4
124.07589	10.3
124.08480	0.8
134.06030	0.9
136.07573	0.7
152.07057	66.1
154.08620	3.2
159.49641	0.5
166.08611	0.5
170.08116	20.9
197.08392	0.9
198.09155	1.8
199.09967	4.3
200.10724	1.5
210.09236	0.8
210.27180	0.5
211.09946	0.7
212.10722	6.9
212.25586	0.5
213.11469	1.6
226.12238	2.7
254.11732	3.6
257.10455	10.6
260.12799	7.1
272.12793	100.0
273.13098	1.3
366.16962	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	535.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85966	0.4
53.03925	1.0
55.05501	0.5
63.19972	0.4
69.90052	1.2
69.90456	1.1
70.06573	0.7
70.53181	0.4
79.05487	7.5
81.03434	0.9
81.05795	0.4
81.07054	11.3
82.06557	0.5
91.05488	0.8
93.05775	1.5
94.06557	3.5
95.04960	1.2
96.08128	3.5
106.06552	1.6
107.04944	41.8
108.08075	0.9
109.05257	0.6
109.06525	1.9
109.66709	0.4
110.06029	6.9
115.84552	0.4
120.08081	0.6
122.05993	0.6
123.06813	5.4
124.07584	19.4
129.65695	0.3
134.06009	2.2
136.07582	1.0
140.07040	1.0
152.07053	100.0
154.08640	5.2
166.08691	0.7
169.87329	0.4
170.08118	29.5
196.07561	0.6
196.11151	0.8
197.08345	1.1
198.09158	1.8
199.09875	5.0
200.10703	1.8
211.09918	1.5
212.10677	8.4
213.11455	2.8
226.12271	3.7
254.11775	4.2
257.10440	13.7
260.12781	10.2
260.54544	0.4
272.12793	76.6
273.13049	0.8
357.09772	0.5
366.16989	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	535.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01868	1.4
57.03429	1.2
61.02927	1.0
68.99785	1.0
69.03423	6.0
70.06585	0.8
71.04985	1.0
71.60000	0.2
72.08135	0.2
73.02908	1.4
79.05476	0.2
81.03412	7.9
83.01328	0.2
84.08125	0.2
85.02899	10.1
86.09695	0.4
87.00826	4.4
87.04448	0.3
91.03951	0.5
91.05448	0.1
95.04984	0.2
97.02889	3.9
99.04445	2.5
101.07089	0.1
105.01859	2.5
105.03365	0.2
107.04935	1.5
109.02870	6.2
111.00789	0.5
117.01841	1.0
121.02857	2.6
127.03905	8.2
129.01836	0.6
129.06982	0.2
133.02881	0.5
133.08568	0.2
137.02310	0.8
145.04961	2.3
147.02901	0.6
147.04361	0.7
152.07091	0.2
153.01814	3.7
157.06474	0.4
159.02885	3.6
161.05957	0.2
165.01811	1.6
171.02873	0.2
171.04373	0.3
183.02925	0.9
185.06007	0.5
189.05527	0.2
203.07037	0.2
213.03775	0.3
213.05475	1.2
231.04613	0.7
231.06866	0.3
241.04956	0.9
258.05219	1.3
259.06104	0.3
269.04459	0.2
272.12848	0.2
281.04865	0.2
287.05475	100.0
288.05795	0.6
299.05545	0.4
329.06601	0.3
355.08386	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.18
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50443	0.3
51.02382	0.3
53.03944	2.8
55.01863	0.8
56.62386	0.3
57.03432	1.4
58.65341	0.3
61.02924	0.6
65.03929	0.6
69.03065	0.7
69.03426	8.9
70.03611	0.3
70.06586	0.7
70.74084	0.7
71.01344	1.0
71.04991	1.6
73.02919	4.6
74.02460	0.5
76.80536	0.3
77.03916	0.5
79.05489	1.5
81.03411	3.1
83.06101	0.4
84.04517	0.6
85.02902	28.5
85.07652	0.4
86.09703	0.4
87.04468	1.0
91.05481	1.2
93.07028	0.6
95.04966	21.6
97.02896	3.6
98.60858	0.3
99.04454	3.2
101.07162	0.7
103.89193	0.3
105.04517	0.5
105.07047	0.4
107.04951	100.0
108.05286	0.9
109.02875	1.5
118.06556	0.5
119.04933	1.0
121.02861	6.6
121.06458	0.5
123.04425	73.3
124.04741	0.7
124.07555	0.5
127.03922	3.9
129.06572	0.8
131.03430	0.4
131.04887	0.7
133.06494	1.0
135.04407	0.8
137.05934	0.4
145.04990	1.7
145.06517	1.1
147.04449	0.7
147.08041	1.2
149.05954	1.7
152.07077	0.9
155.08514	0.4
157.06471	0.8
161.05989	0.7
165.05479	0.5
165.07034	1.0
169.14285	0.3
173.06035	0.8
175.07535	1.4
179.38390	0.3
183.08032	1.1
185.05959	0.9
187.07658	0.4
190.08612	0.4
191.06973	0.4
203.07050	1.1
211.07538	4.3
215.07007	0.8
219.06511	0.4
229.08630	0.6
233.08014	0.6
235.10794	0.4
249.07553	3.5
251.09109	3.6
267.08621	32.2
268.08957	0.7
269.10126	0.7
272.12881	0.6
285.09695	0.4
355.11734	0.6
363.05237	0.4
373.12793	18.2
374.13281	0.6
517.17542	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1081
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
50.34498	0.1
53.03942	2.0
55.01867	1.6
57.03441	0.9
59.52782	0.1
61.02913	1.0
61.10411	0.1
64.18188	0.1
68.99784	1.3
69.03423	5.9
69.29527	1.6
70.06577	0.4
71.01328	0.1
71.04984	0.8
73.02910	1.3
81.03410	6.8
82.95779	0.1
83.01344	0.2
84.08095	0.2
85.02895	10.1
86.09668	0.3
87.00821	4.7
91.03943	0.4
95.04916	0.2
97.02885	3.5
98.20692	0.3
99.04444	2.4
105.01854	2.5
105.03365	0.3
107.04933	0.6
109.02866	5.7
111.00797	0.8
117.01841	1.1
121.02839	2.1
127.03904	8.0
129.01813	0.5
133.02817	0.4
137.02373	0.8
145.04941	2.2
145.06487	0.2
147.02834	0.5
147.04413	0.4
153.01814	3.7
157.06483	0.4
159.02875	4.2
165.01834	1.5
171.04393	0.4
177.05528	0.2
183.02911	0.9
185.05942	0.6
213.03743	0.2
213.05487	1.4
215.84154	0.1
218.60049	0.2
231.04582	0.8
231.06682	0.5
241.04948	0.6
258.05273	0.9
259.06027	0.3
269.04333	0.2
281.19061	0.2
285.09927	0.2
287.05463	100.0
288.05731	0.9
329.06549	0.2
358.86176	0.2
474.05420	0.2
535.21619	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	534.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60096	0.3
55.05505	2.0
57.07072	10.5
58.06598	8.5
67.05461	1.0
67.32455	0.3
69.07066	4.0
69.52839	2.5
70.06591	1.8
71.08624	4.9
72.08118	1.2
73.06526	0.5
73.36514	0.3
79.05463	0.7
80.33720	0.4
81.07042	0.5
83.08611	1.7
85.10195	1.9
87.04440	0.5
88.07626	1.9
89.05549	0.3
89.06021	4.0
90.06372	0.5
91.05419	0.4
93.07047	0.5
95.04917	0.5
96.98060	0.4
97.10135	1.3
100.07580	0.5
102.09132	1.0
105.07030	4.2
106.07328	0.6
107.08553	0.4
114.09049	0.4
121.06453	0.5
127.88039	0.3
131.08531	0.6
131.45631	0.3
133.08568	0.9
133.10089	0.4
146.11699	0.4
183.42888	0.4
203.14221	0.4
219.17377	1.0
239.89098	0.3
256.26407	0.9
296.33099	62.4
297.33423	0.9
310.34567	0.5
340.35660	3.8
384.38446	0.9
516.46582	0.4
534.47253	100.0
535.47577	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	14.2
57.03442	6.3
57.07090	7.5
57.51406	3.9
60.08152	9.1
67.05510	27.7
69.07060	14.6
71.07386	4.7
71.08633	5.5
73.44813	4.0
79.05485	8.5
81.07055	34.0
83.08645	9.9
86.09710	40.2
91.05502	6.7
93.07047	15.9
95.08612	28.9
97.06524	4.8
98.00541	3.6
98.21542	8.4
98.98503	6.1
104.10744	100.0
105.07064	4.4
107.08582	12.8
109.06532	9.4
109.10142	14.4
119.08563	5.6
121.10123	12.6
123.11694	11.6
125.00020	16.7
131.08546	3.8
135.11700	7.2
145.10172	4.4
147.11708	5.5
149.13225	4.2
165.12753	15.7
175.14876	7.5
184.07358	68.1
185.46921	3.9
189.16443	4.2
210.49306	4.2
227.19936	5.0
229.67416	3.8
245.22647	22.6
263.23737	27.3
319.26321	11.8
337.27286	23.3
349.27579	5.3
357.28003	4.4
374.57043	3.7
375.28961	9.5
393.30069	55.0
475.22235	17.3
534.29309	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	534.364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32168	8.5
55.05507	30.4
57.07077	23.5
61.02922	9.7
62.26418	7.9
64.11842	8.1
64.15588	7.9
64.31723	8.4
65.73096	8.0
67.05504	100.0
69.07055	20.1
69.89909	49.3
79.05495	36.3
81.07063	95.9
83.04971	8.6
83.08618	23.8
86.09709	18.8
87.33811	9.0
91.05497	18.8
93.07048	37.3
95.08614	85.6
97.10162	13.4
98.98542	16.6
99.04420	12.4
104.10727	54.0
105.07025	14.3
107.04974	9.4
107.08575	22.7
109.06651	8.9
109.10154	43.0
119.08599	12.0
121.10133	23.7
123.11684	23.4
125.00000	9.0
130.57346	8.1
133.10126	27.3
135.11687	17.0
147.11679	10.8
149.13289	14.5
151.14830	10.5
161.13232	18.0
163.14856	19.4
165.12871	14.1
165.16388	13.5
184.07324	46.7
245.22667	72.3
263.23746	78.7
269.16269	10.8
308.47876	8.3
319.26132	10.3
337.27451	50.4
436.79169	10.0
475.21881	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	534.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.5
56.05030	0.7
58.06609	0.5
60.08162	7.4
63.40808	0.2
67.05494	0.6
69.07045	0.6
71.07369	3.5
71.58958	0.4
75.59203	0.2
81.07053	0.6
86.09703	32.8
87.10011	0.3
91.05487	0.3
93.07027	0.4
95.08617	0.7
98.98456	3.1
104.10734	3.0
109.10165	0.4
111.10589	0.2
114.62656	0.2
121.79488	0.2
124.99997	22.1
133.07721	0.2
143.01057	0.6
166.02632	0.3
184.07332	100.0
185.07655	0.8
205.83038	0.3
229.75021	0.3
516.34308	0.8
534.36798	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	534.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49859	0.3
53.42227	0.3
55.05511	0.8
56.05022	1.2
57.03444	0.8
58.06596	1.5
59.07381	0.5
60.08165	16.2
67.05513	1.8
69.07065	0.5
70.19975	1.6
71.07378	6.4
75.04468	0.4
79.05492	0.8
79.55146	0.4
80.84914	0.4
81.07059	1.8
83.08625	0.4
86.09707	41.0
91.05511	0.5
93.07042	1.1
95.08595	1.1
98.98457	3.8
104.10745	100.0
105.11085	0.4
107.08552	0.6
109.10191	0.5
125.00008	24.9
143.01073	0.6
184.07344	62.8
199.03613	0.6
204.75887	0.3
217.18910	0.4
230.11482	0.5
234.14424	0.4
258.11011	1.3
347.25681	0.6
348.26273	2.3
366.27234	2.1
369.81921	0.4
381.37582	0.4
422.29816	4.6
440.30975	1.2
516.30890	4.8
534.31915	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	534.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87023	0.3
55.05506	0.7
56.05029	0.5
56.96551	0.4
57.03426	0.5
58.06594	0.5
60.07877	0.4
60.08161	6.2
61.02921	0.4
67.05487	1.2
69.03415	0.4
69.07053	1.0
70.04048	0.3
70.06553	0.3
71.07362	2.6
71.60002	0.5
78.25751	0.3
79.05476	0.9
81.03417	0.3
81.07033	1.1
85.02893	0.6
86.09700	28.8
91.05475	1.2
93.07030	1.0
95.08580	0.4
97.02888	0.4
98.98459	3.1
104.10733	3.0
105.07008	1.0
107.04939	1.2
107.08559	0.5
109.10149	0.4
117.07009	0.4
119.08582	0.4
121.10102	0.4
124.99993	20.2
131.08623	0.6
133.10161	0.5
143.01039	0.4
159.11790	0.5
160.86720	0.3
184.07327	100.0
210.18463	0.4
240.91142	0.3
258.11139	0.3
450.25262	0.3
497.48642	0.3
505.24634	0.4
516.30841	1.6
534.31726	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	534.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.7
56.05015	0.9
57.03430	0.4
58.06596	1.5
59.07369	0.4
60.08164	17.5
61.66962	0.3
63.66685	0.3
66.97144	0.4
67.05497	1.0
69.07065	0.5
69.63903	0.4
70.32993	0.8
70.33380	1.1
70.71083	0.3
71.07373	7.0
71.08631	1.2
79.05486	1.0
79.15668	0.4
81.07047	1.0
82.50044	0.4
86.06034	0.4
86.09705	51.7
91.05487	0.9
93.07031	1.3
95.04947	0.5
95.08605	0.5
98.98464	4.6
104.10743	100.0
105.07013	0.4
107.08578	0.5
119.08610	0.4
121.10148	0.5
125.00006	26.7
135.11685	0.4
143.01053	0.5
147.50201	0.4
161.13309	0.5
163.01572	0.6
166.06371	0.3
179.14264	0.9
184.07339	90.3
222.07382	0.4
258.11078	1.4
351.25275	0.7
365.29401	0.4
516.30939	5.4
534.31909	25.9
551.00958	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.6
56.05032	0.9
57.03425	0.3
57.11866	0.2
58.06370	0.2
58.06629	0.7
59.07363	0.3
60.08164	7.5
64.05221	0.2
67.05493	0.7
68.03701	0.2
69.07070	0.6
70.06606	0.3
70.76779	0.2
71.07372	3.8
71.09174	0.4
73.72816	0.2
75.04487	0.3
79.05492	0.3
81.07054	0.6
83.08609	0.3
86.09706	34.9
93.07035	0.5
95.08614	0.5
98.98461	3.9
103.72261	0.2
104.10745	7.9
109.10160	0.3
113.63559	0.2
121.06613	0.2
125.00003	23.1
143.01068	0.7
184.07339	100.0
185.07646	0.4
258.10986	0.8
276.82440	0.2
289.65820	0.2
320.82858	0.2
376.00455	0.3
422.29697	0.5
446.60611	0.2
473.32736	1.2
516.30707	1.3
533.37451	0.3
534.31976	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	534.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.5
56.05028	0.8
56.95061	0.2
57.03422	0.5
58.06612	0.6
60.08161	9.0
63.94080	0.2
67.05499	1.4
69.07066	0.8
70.06586	0.2
70.50761	1.0
71.07372	4.1
79.05481	0.8
81.07037	1.1
84.87921	0.2
85.02911	0.3
86.09698	36.0
91.05469	1.0
93.07024	0.8
95.08598	0.7
98.98461	3.5
104.10737	25.2
105.07036	0.6
107.04948	1.4
109.10139	0.3
115.67722	0.2
119.08601	0.5
121.06471	0.6
121.10125	0.4
124.99997	22.6
131.08604	0.4
133.10178	0.3
143.00986	0.6
157.10074	0.3
168.90773	0.2
184.07326	100.0
185.07762	0.4
240.01041	0.3
258.10989	0.5
369.56134	0.2
375.95557	0.2
516.30829	3.0
534.31885	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.05508	1.3
56.05037	1.7
57.03437	0.7
57.07075	0.5
58.06612	1.6
59.07384	0.5
60.08162	17.0
61.02921	0.8
67.05499	2.3
69.03442	0.5
69.07069	1.6
70.06574	0.8
71.07377	6.3
71.21430	0.8
71.21764	0.6
75.03321	0.5
79.05476	2.5
81.07055	2.5
83.08624	0.6
84.08167	0.4
85.02899	1.3
86.09702	50.0
87.02308	0.5
91.05492	2.6
93.07024	2.9
95.04958	0.5
95.08598	2.0
96.26590	0.4
97.02886	0.7
97.06522	0.4
98.98462	4.1
103.05463	0.4
104.10739	100.0
105.07034	2.2
107.04950	1.9
107.08603	1.9
107.31417	0.4
109.10143	0.7
117.06995	0.5
119.08571	1.1
121.06487	0.8
121.10153	1.2
125.00003	26.5
131.08484	0.5
133.10123	0.9
135.11752	0.6
145.10162	0.7
147.11713	0.8
173.22990	0.5
184.07333	92.2
185.07773	0.6
202.94144	0.5
205.95326	0.4
246.34244	0.4
247.08691	0.4
258.10959	0.8
305.63568	0.5
329.29797	0.4
333.24350	0.5
386.93787	0.5
393.02252	0.4
498.29749	7.0
516.30811	32.1
534.18170	0.6
534.32965	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	0.6
60.07881	0.6
60.08163	7.3
67.05501	0.6
67.13445	0.4
69.84702	1.8
71.07377	3.5
74.50739	0.4
76.61115	0.3
79.05482	0.6
81.07069	0.4
86.09708	32.5
91.05486	0.6
93.07058	0.6
98.98470	3.1
104.10753	6.8
125.00007	24.2
184.07344	100.0
196.67473	0.4
219.17506	0.5
234.11304	0.4
258.11111	0.4
349.23599	0.5
498.29941	0.7
516.30969	2.8
534.32294	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.3
56.05037	0.3
57.07039	0.1
58.06380	0.2
58.06625	0.4
60.08159	7.0
67.05495	0.4
69.03446	0.2
69.07059	0.2
69.21761	0.1
69.31955	0.2
69.93624	0.1
70.06573	0.2
70.57388	0.3
70.57787	0.3
71.04994	0.2
71.07369	3.3
79.05482	0.6
81.03428	0.2
81.07053	0.7
86.09700	32.0
91.05477	0.7
93.07046	0.7
95.04955	0.2
95.08600	0.3
97.02844	0.2
98.98461	3.0
104.10737	3.6
104.11403	0.3
105.07021	0.3
107.04958	0.6
107.08586	0.2
109.10130	0.2
117.62091	0.2
119.08559	0.3
121.06469	0.2
121.10149	0.1
123.35552	0.1
124.99995	22.6
131.08633	0.2
133.10126	0.3
136.07594	0.3
143.01035	0.4
184.07326	100.0
368.14453	0.2
498.29730	0.7
512.08582	0.2
516.30780	3.9
534.18317	0.5
543.64020	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04654	1.0
56.05016	1.1
60.08148	4.4
69.45649	9.0
71.07371	5.5
80.18295	0.9
86.09705	27.5
95.17645	1.0
104.10745	100.0
105.07024	3.1
124.99992	2.6
137.60077	1.1
142.94341	0.9
184.07356	5.6
244.70142	0.9
336.82800	1.2
475.22345	21.2
534.29498	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	534.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02790	2.5
59.39142	2.2
60.04526	100.0
69.03416	6.1
70.06578	11.8
70.25658	11.0
81.03410	2.9
84.04511	5.1
84.08146	3.0
85.02908	25.6
86.09704	4.5
92.67683	2.4
97.02881	6.3
100.44879	2.9
103.05430	5.4
104.64847	2.8
105.07034	7.0
107.04954	36.9
107.25939	2.7
109.02922	3.3
112.27998	2.7
121.06498	7.2
127.03876	3.8
131.04907	4.1
133.06491	39.8
145.04984	5.0
146.05951	2.5
149.05975	21.3
150.09099	7.3
162.09161	3.1
164.10695	3.2
167.07057	4.8
174.09193	4.6
192.10178	12.8
202.91234	2.7
210.11208	8.0
312.14310	3.5
372.16510	6.0
416.11462	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	534.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03175	2.7
52.38548	2.6
53.03929	4.5
53.69083	2.5
55.05503	5.2
61.02910	7.1
62.06092	3.2
67.05489	7.5
69.03420	20.2
69.07047	4.3
70.06589	16.9
70.57668	2.8
71.04979	8.5
72.08140	12.5
73.02902	4.2
79.05473	8.8
81.03397	6.5
81.07040	6.1
83.04978	4.1
83.06087	3.2
84.04482	5.4
84.08134	13.7
85.02891	14.1
86.09682	8.1
91.05457	11.8
93.07020	4.7
95.04954	6.3
97.02869	9.8
97.06505	6.5
98.21555	8.9
105.07026	55.9
107.04945	43.8
107.08579	7.4
114.96146	3.1
117.06998	9.0
119.04923	3.8
119.08573	8.8
120.08078	11.2
121.02824	2.7
121.06495	10.3
125.05891	4.6
129.06970	4.0
129.10219	8.7
131.08534	10.7
133.06473	9.5
133.10126	9.7
144.09373	5.1
145.06436	5.9
145.10114	92.7
154.07791	4.1
157.09860	4.8
158.07243	5.9
159.07994	6.4
159.11674	31.9
161.09593	8.1
166.08644	7.6
169.10101	6.4
173.09608	48.2
177.12717	3.0
187.11148	31.6
189.12643	4.6
193.12131	3.0
205.12233	100.0
215.10660	97.1
233.11691	39.4
240.90976	5.8
251.12880	6.1
259.05966	5.2
306.92020	4.3
317.06613	7.5
319.11682	4.1
322.17242	4.4
336.25436	5.3
337.12735	13.8
355.13464	5.0
386.52194	3.0
389.99783	11.2
390.99426	4.9
402.97366	5.9
403.97800	8.7
404.97263	12.8
408.00790	12.6
409.00662	12.8
468.00955	6.6
474.16025	4.3
502.15451	4.7
534.04138	14.8
534.19171	3.5
534.30286	10.0
535.03638	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	534.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
55.01870	4.9
55.05508	3.1
56.05021	6.2
58.99582	11.6
59.04989	4.5
60.04514	3.3
60.08138	1.9
61.01119	1.7
67.05116	1.1
67.05496	5.3
68.05018	2.4
69.07051	4.8
69.28328	3.4
69.28741	9.4
70.02937	3.0
70.06593	38.4
71.04992	1.8
71.06921	1.4
71.07363	1.1
72.08157	8.4
73.80624	1.1
74.00274	2.3
74.00664	24.3
74.01055	2.5
74.06079	1.6
76.02227	45.1
76.04002	11.3
79.05491	7.6
81.03426	2.7
81.07063	6.7
83.06101	4.6
84.04502	42.2
84.08136	14.5
85.02898	2.9
85.04029	27.3
85.06527	1.4
86.09705	23.0
86.99048	2.9
87.10052	1.5
88.02198	1.4
88.03955	1.7
89.06029	4.3
91.05477	6.0
92.01699	13.4
93.07050	8.6
95.04974	2.6
95.08597	4.6
96.04465	2.6
97.01103	2.7
97.06541	2.8
102.05559	4.8
103.07560	3.4
104.10760	2.7
105.07041	2.7
107.04940	13.1
107.08587	4.9
109.02866	1.5
110.07167	8.6
111.02658	2.0
112.02179	3.1
112.03969	5.7
113.03492	11.8
116.01666	15.6
116.07063	1.7
117.07023	2.6
119.08581	4.9
120.08117	10.4
121.10152	5.8
123.11777	1.6
124.99997	3.8
129.06644	3.9
129.10240	6.2
129.78313	1.2
130.05005	36.6
131.02837	1.5
131.04506	23.7
131.08597	3.4
133.08554	2.8
135.11720	4.5
136.03966	3.7
136.07600	3.8
137.06071	1.4
140.01656	5.1
142.03212	8.1
144.01128	8.7
145.06090	9.7
145.10117	7.7
147.11650	1.6
149.09607	3.7
155.08377	2.1
159.02205	2.5
160.00673	5.2
162.02193	31.0
163.11174	10.5
168.01132	1.9
169.04343	1.7
169.06166	1.6
170.02737	3.0
173.09631	7.4
177.03288	100.0
179.04848	33.2
181.06100	1.9
181.12328	1.9
184.07295	10.5
185.03798	9.1
187.05392	3.1
187.10947	1.8
189.09204	1.6
191.10643	6.3
193.06149	2.9
209.11739	3.3
217.05440	1.6
224.11047	2.6
225.11313	1.5
227.12820	16.4
229.14348	2.0
231.04340	16.7
233.05914	7.5
238.12494	2.5
243.04364	4.6
245.05925	4.3
266.12109	10.6
268.13666	3.1
284.13165	18.7
288.06461	5.6
289.01926	1.2
289.04993	3.6
294.11554	1.7
302.14227	30.0
306.07535	4.7
308.09171	2.1
312.12604	23.7
340.17520	2.4
369.14859	3.0
387.15869	4.2
388.14304	2.1
405.16898	34.8
413.17215	4.1
430.22485	1.6
435.15753	2.2
441.17032	2.6
453.16464	1.9
459.17981	12.3
471.18069	2.8
516.19330	2.7
517.18402	3.6
534.21112	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.3
55.05510	3.3
57.07069	3.3
67.05502	6.2
69.07066	4.9
70.04061	1.7
77.56521	1.1
79.05486	4.6
81.07056	8.0
83.08607	2.1
85.06537	1.4
89.06026	1.1
91.05473	4.4
93.07034	5.8
94.87911	1.2
95.04936	1.7
95.08607	4.2
97.06524	2.4
105.07018	3.8
107.04919	1.8
107.08572	2.7
109.06509	3.3
109.10162	2.9
112.99997	3.9
117.07023	1.2
118.48455	1.1
119.08578	3.4
121.10129	2.2
123.08054	6.4
124.08865	1.5
125.05968	1.1
129.06989	1.1
131.08585	1.7
133.10124	2.3
135.08005	1.8
135.11671	2.0
137.06041	1.5
145.10155	1.2
147.08105	1.1
147.11652	2.3
151.07513	5.1
152.08325	4.3
163.11200	1.7
164.08316	1.5
165.09105	15.6
165.12749	1.3
166.09634	1.0
179.10699	2.7
179.14250	1.1
193.12212	2.0
195.13795	1.2
201.40547	1.0
208.14627	3.3
221.15392	4.5
229.71913	1.2
249.18623	1.2
263.20044	7.7
305.24850	4.3
319.26233	7.1
335.26126	1.2
347.25775	78.6
365.26813	36.0
421.29443	100.0
422.30063	2.2
439.30600	12.8
501.26138	3.3
515.27509	2.7
533.28729	23.3
533.37531	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.6
55.05476	2.0
57.03421	0.6
57.07072	3.4
61.02884	0.5
66.65865	0.4
67.05499	4.0
68.24751	0.5
69.03396	0.9
69.07072	2.5
71.59479	0.6
72.93716	0.5
79.05492	2.6
81.03365	0.6
81.07048	3.6
83.04927	0.7
83.08633	0.5
85.02885	0.8
85.06509	1.6
91.05447	2.1
93.07036	3.3
95.04932	0.9
95.08578	2.1
97.45531	0.5
105.06985	1.4
107.04925	1.7
107.08559	1.9
109.06477	2.0
109.10132	1.0
111.04432	0.5
111.08085	0.5
113.00022	2.3
117.06911	0.5
119.08530	1.5
121.06467	1.0
121.10107	1.4
123.08064	3.4
124.08804	1.3
125.05948	0.5
129.06975	0.8
131.08514	1.1
133.10104	1.3
135.08054	1.1
135.11700	0.6
137.05933	1.2
137.09579	0.7
139.07536	0.8
145.10135	0.5
147.11696	0.7
149.09468	0.5
151.07533	4.4
151.11115	0.8
152.07106	0.6
152.08298	8.4
158.97487	0.5
161.09616	1.1
161.13234	0.7
163.07458	0.7
164.08273	0.7
165.09119	12.2
165.12677	0.8
166.09816	0.8
177.09142	1.2
177.12708	0.7
179.10670	2.8
181.12184	1.1
191.10654	0.8
193.12090	0.5
194.13031	6.1
195.13681	0.5
207.13799	4.2
221.15337	1.0
235.16960	1.0
247.17093	0.5
249.18523	1.3
259.59717	0.5
263.20023	2.8
277.21582	1.2
291.22891	0.6
319.26352	3.3
335.25714	2.5
347.25800	52.5
348.26080	1.5
365.26843	48.4
366.27365	1.0
403.28314	0.9
421.29459	100.0
422.29898	2.0
439.30554	22.0
440.30896	0.8
501.25980	2.8
515.27765	1.7
533.28717	29.7
533.34961	1.2
534.28271	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.2
55.01869	3.4
55.05505	2.8
56.96550	0.8
57.03432	8.1
59.04984	1.0
60.49953	0.6
61.02925	11.5
67.05503	4.0
69.03425	28.9
69.07066	8.7
69.51697	2.7
69.52104	1.7
70.06586	2.7
71.04996	3.4
72.08143	1.2
73.02909	4.6
79.05493	3.9
81.03413	15.6
81.07063	5.8
83.01367	1.4
83.04957	1.1
83.08608	2.8
84.04522	0.6
84.08121	1.4
85.02898	98.7
85.06544	0.8
86.06040	1.1
86.09692	2.9
87.04466	5.8
90.94816	0.6
91.03942	5.2
91.05481	3.5
93.07041	4.8
95.04961	6.4
95.06067	1.1
95.08598	5.3
97.02886	38.3
97.06521	5.0
99.04446	8.3
99.08121	0.6
103.03932	1.0
103.05479	0.8
105.07020	5.6
107.04950	11.2
107.08603	5.8
108.05291	1.0
109.02872	12.1
109.06532	4.5
109.10148	2.1
111.04465	0.6
113.06005	1.0
115.03938	1.4
115.05498	0.7
116.07113	0.6
119.08566	4.4
120.08103	1.0
121.02828	0.7
121.06514	3.4
121.10140	2.7
122.07282	4.1
123.07176	1.0
123.08063	20.3
123.11686	1.2
125.00031	0.9
125.09650	0.8
127.03909	29.4
131.08542	1.8
133.10130	5.1
135.08044	30.1
135.11678	3.9
137.09595	1.8
145.04951	37.3
145.10136	1.1
147.11688	4.0
148.08827	1.8
149.09624	2.2
149.13275	1.3
151.11177	0.7
161.09648	1.1
163.03922	0.8
163.06012	4.9
163.11183	0.6
163.14793	1.6
165.12733	21.2
171.05167	0.6
171.06570	2.2
173.13275	1.8
175.14833	3.4
176.11977	4.6
177.12715	0.7
184.07338	3.7
185.07700	1.2
189.07576	2.8
191.14293	100.0
192.14645	0.6
193.15874	11.5
201.05551	0.7
207.13824	3.7
209.15359	13.4
221.15442	0.6
255.03264	0.8
273.04135	1.4
285.10001	0.7
297.04190	0.7
309.17023	1.8
315.05063	0.8
315.10260	0.7
353.19507	3.0
371.16330	1.1
371.20526	9.5
385.53122	0.6
427.18011	0.7
442.74957	0.6
474.52460	0.7
533.25891	24.5
533.33887	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54054	0.2
56.05038	1.7
57.03433	0.8
58.06623	0.7
60.08164	9.0
61.08492	0.9
65.63334	0.3
67.05508	0.8
69.03416	0.4
70.06602	1.6
70.19672	0.7
70.20065	0.5
71.07375	4.2
72.07703	0.7
72.08104	0.5
79.05495	0.7
81.07055	0.6
84.04507	0.5
84.08148	0.9
86.09706	36.8
87.09462	0.6
87.10033	8.7
88.03990	0.4
91.05486	0.8
93.07036	0.6
95.04996	0.3
95.35695	0.3
98.01225	0.3
98.98472	5.1
98.99106	0.3
102.05559	0.5
104.10744	11.3
105.07001	0.6
105.10460	0.4
105.11075	2.9
107.04942	2.0
107.08567	0.7
109.10116	0.3
110.07138	0.3
116.99534	0.3
117.07009	0.5
119.08620	0.5
120.08074	0.4
120.08898	0.3
121.06491	0.4
122.03508	0.3
125.00004	26.7
126.00333	1.8
131.04945	0.3
131.08574	0.4
133.06448	0.4
143.01022	0.7
155.01036	0.5
181.85587	0.3
184.07339	100.0
185.07697	24.1
189.08838	0.3
199.14868	0.3
213.08542	0.4
217.15784	0.5
224.30280	0.3
227.07689	0.3
231.07887	0.3
241.05554	0.3
290.97177	0.3
299.14908	0.4
326.14914	0.5
343.13626	0.4
345.15323	0.8
348.22424	0.4
363.16263	0.4
366.09146	0.3
368.16699	0.3
371.14648	21.1
372.14923	0.8
389.14481	5.8
412.16092	0.5
459.98520	0.3
515.17712	0.5
515.29712	2.4
533.19635	24.3
533.30133	4.1
534.20050	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	8.0
55.05502	19.8
57.03447	12.1
59.77522	9.3
62.06204	8.9
67.05507	69.5
69.07060	13.3
69.44965	55.9
69.45373	25.9
79.05487	44.2
81.07043	100.0
86.70452	8.7
91.05476	20.1
93.07034	55.1
95.08594	61.0
95.51630	8.6
98.21504	15.7
105.07026	20.7
107.08588	36.2
109.10152	28.4
119.08560	14.7
121.10141	22.9
123.11749	25.2
131.08530	17.9
133.10049	10.9
135.11682	23.3
145.10089	19.7
149.13336	11.9
159.11679	15.9
165.10403	9.6
173.13252	14.1
185.40784	9.8
187.14864	12.1
243.21266	22.4
261.22156	80.5
335.25720	26.5
353.26959	14.5
472.86639	10.0
549.54443	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	532.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75729	0.3
55.05501	0.6
56.05027	1.5
56.22042	0.3
57.03423	1.3
58.06602	1.4
60.08163	17.4
60.08474	0.8
67.05490	0.8
69.22250	0.3
71.07375	7.0
71.43765	0.7
75.19835	0.3
79.05481	1.3
81.07045	0.7
86.06091	0.3
86.09705	53.5
87.10060	0.4
91.05470	1.0
93.07031	0.8
93.85371	0.3
95.08592	0.7
98.98460	4.4
98.99052	0.5
102.29170	0.4
104.10741	84.0
105.07029	1.5
105.11062	0.7
107.04917	0.4
107.08594	0.8
117.07024	0.5
119.08569	0.7
125.00005	30.3
129.06979	0.3
131.08578	0.6
143.01056	0.7
143.08614	0.5
145.10136	0.6
163.01537	0.4
184.07339	100.0
185.07751	0.6
258.10977	1.2
334.67416	0.4
349.23795	0.5
475.55951	0.4
514.29327	6.6
532.30408	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	532.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19324	0.2
55.01875	0.2
55.05511	0.3
56.05035	0.9
57.03434	0.7
58.06621	0.7
60.08165	8.7
64.49814	0.2
67.05518	0.4
69.28768	0.9
69.29205	0.9
70.06591	0.8
71.06981	0.3
71.07375	4.0
78.77189	0.2
79.05512	0.8
81.07066	0.4
84.08132	0.4
86.09705	36.8
87.10065	0.2
91.05481	1.0
93.07056	0.7
95.08575	0.4
97.06517	0.3
98.98472	3.8
99.98494	0.2
102.16924	0.2
104.10745	20.1
105.07035	0.7
107.04969	0.4
107.08604	0.8
109.06551	0.3
115.05512	0.2
116.99413	0.2
117.07042	0.3
119.08573	0.3
125.00005	23.9
131.08508	0.2
135.08055	0.3
143.01062	0.7
143.08568	0.2
145.10097	0.3
157.10138	0.3
159.11630	0.2
184.07339	100.0
185.07623	0.6
258.10956	0.4
273.18695	0.2
347.22366	1.2
496.28275	0.2
514.21948	0.2
514.29370	3.4
532.30322	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	532.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36591	0.1
55.05500	0.2
56.05034	0.8
57.03148	0.1
57.03425	0.5
58.06625	0.6
60.08161	8.2
63.07307	0.1
67.05481	0.4
68.35849	0.1
70.06606	0.7
71.07370	3.8
71.59074	0.2
72.08149	0.2
76.94669	0.1
79.05489	0.7
81.07050	0.4
84.08104	0.3
86.09700	35.1
87.10017	0.3
88.07653	0.1
91.05482	0.7
93.07034	0.4
95.08598	0.3
98.98460	3.6
104.10737	17.3
105.07018	0.5
105.11046	0.1
107.04909	0.3
107.08601	0.4
109.06516	0.2
117.06991	0.3
119.08580	0.3
120.08054	0.2
124.99995	23.7
129.06981	0.1
129.10251	0.2
131.08577	0.2
143.01082	0.6
145.10129	0.2
166.02695	0.1
184.07329	100.0
185.07677	0.8
213.23959	0.1
217.15773	0.1
229.02136	0.1
258.11035	0.3
328.03787	0.1
347.22073	0.5
421.33069	0.1
492.48398	0.1
496.28036	0.2
514.29352	2.6
532.30261	4.3
533.30597	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	532.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.3
56.05037	0.8
57.03437	0.2
58.06623	0.5
59.07393	0.2
60.08162	7.3
67.05500	0.4
70.06583	1.0
70.84057	0.2
70.84406	0.3
71.07374	3.4
72.08162	0.3
79.05500	0.7
80.97422	0.1
81.07037	0.4
84.04554	0.2
84.08138	0.5
85.02901	0.1
86.09703	35.1
87.10021	0.3
87.28138	0.1
91.05488	0.5
93.07034	0.3
95.08613	0.3
98.20784	0.1
98.98463	3.7
104.10743	5.0
105.07011	0.4
107.04951	0.6
107.08595	0.5
109.10143	0.2
116.02510	0.1
117.07034	0.2
117.72780	0.1
119.08560	0.2
120.08106	0.3
121.10178	0.2
121.38182	0.2
125.00003	24.4
131.08601	0.2
133.06465	0.1
133.30521	0.1
143.01048	0.6
172.95259	0.2
178.76158	0.1
184.07336	100.0
185.07698	0.7
232.92012	0.1
241.54459	0.1
253.52939	0.2
254.29852	0.1
258.10977	0.3
514.22723	0.2
514.29285	1.5
527.77722	0.2
532.22913	0.2
532.30334	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63848	0.1
56.05028	0.5
57.03429	0.3
58.06623	0.6
59.07402	0.1
60.08162	7.0
67.05502	0.1
69.07053	0.1
70.06583	0.2
70.84549	0.2
71.07370	3.3
79.05476	0.2
81.07064	0.2
84.08109	0.1
86.09702	34.6
87.10020	0.2
91.05486	0.3
93.07040	0.2
95.08582	0.1
98.98462	3.1
104.10738	3.9
105.07040	0.3
107.04925	0.1
107.15520	0.1
116.99487	0.2
119.08529	0.1
124.99998	23.3
135.23813	0.1
143.01053	0.6
166.02750	0.1
184.07332	100.0
185.07668	0.5
187.81271	0.1
205.50551	0.1
248.41614	0.1
258.10852	0.2
514.29388	0.8
532.30396	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	532.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.6
56.05029	1.2
57.03444	1.0
57.84703	0.3
58.06358	0.3
58.06578	1.3
59.07392	0.3
60.08163	15.2
66.84287	0.2
67.05492	1.0
69.07060	0.2
69.62597	1.5
70.04067	0.6
70.06597	1.1
71.04968	0.6
71.07371	6.4
72.08148	0.3
78.02563	0.2
79.05482	1.2
81.07054	0.7
83.08607	0.2
84.08133	0.5
86.09704	52.1
87.10021	0.5
88.07644	0.5
91.05479	1.4
93.07027	1.2
95.08588	0.6
98.98464	4.4
99.14484	0.2
104.10741	73.2
105.07031	1.3
105.11076	0.9
106.08665	0.3
107.04939	1.2
107.08615	0.4
109.10184	0.3
116.99503	0.3
117.07036	0.4
119.08582	0.8
125.00002	30.0
125.07293	0.2
125.09535	0.2
126.00371	0.3
129.07018	0.5
129.10294	0.3
131.08568	0.4
133.10138	0.3
143.01033	0.5
149.85481	0.2
159.11789	0.3
163.01579	0.3
184.07336	100.0
185.07672	1.2
185.13232	0.3
186.07829	0.7
193.02998	0.2
258.11047	0.8
275.20142	0.2
293.42358	0.2
347.22244	0.3
349.23935	0.3
359.04715	0.2
472.50076	0.2
496.28000	0.3
506.96426	0.2
514.29236	7.0
515.29498	0.3
532.30341	14.0
533.30591	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14939	0.3
55.05506	0.5
55.55678	0.2
56.05026	1.3
56.95337	0.3
57.03432	0.4
58.06609	1.2
59.07379	0.3
60.08164	13.1
60.08474	0.7
67.05508	0.6
69.07072	0.6
69.74766	0.7
69.75172	1.0
70.06582	0.5
71.07379	5.2
72.08157	0.5
72.91813	0.3
79.05495	1.1
81.07053	0.9
82.13083	0.2
86.09708	45.9
91.05486	0.8
93.07042	0.9
95.08594	0.8
98.21391	0.6
98.98460	4.4
104.10744	70.0
105.07027	0.7
105.11090	0.3
107.04971	0.8
107.08616	0.5
109.47111	0.3
117.07047	0.6
119.08624	0.9
121.06490	0.3
121.10187	0.6
123.08058	0.3
125.00006	27.9
129.72568	0.3
131.08591	0.6
143.01106	0.7
145.10075	0.4
163.01591	0.5
182.09607	0.3
184.07343	100.0
185.07718	0.6
204.35886	0.3
239.17375	0.3
258.10922	0.5
275.20193	0.5
306.20673	0.4
342.92093	0.3
349.23813	0.3
514.29260	4.0
532.30347	18.4
533.30988	0.4
552.29041	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23310	0.3
55.05502	0.7
56.05029	0.6
57.03434	0.4
58.06588	0.3
60.07886	0.4
60.08165	6.2
67.05497	0.8
69.07066	0.4
70.06571	0.7
71.07375	3.5
71.59003	0.4
72.08140	0.3
72.10868	0.3
79.05496	1.0
81.03379	0.3
81.07048	1.2
83.08611	0.3
84.08149	0.5
86.09707	31.5
91.05472	0.9
92.72862	0.4
93.07042	1.0
94.13603	0.3
95.08610	0.7
98.98479	3.1
104.10746	6.6
104.72247	0.3
105.06993	0.3
107.04945	1.0
107.08575	0.5
109.10162	0.4
114.31255	0.3
119.08636	0.3
120.96638	0.7
121.10168	0.5
125.00006	20.4
129.10194	0.3
131.08591	0.7
133.10091	0.7
143.01065	0.9
145.10094	0.5
147.11678	0.4
174.98656	0.3
184.07343	100.0
185.07664	0.6
195.00200	0.6
213.16380	0.3
267.19678	0.4
279.37445	0.3
287.54782	0.3
316.78812	0.3
360.25119	0.7
391.24478	1.5
489.22104	0.6
514.29047	1.2
532.31116	2.9
532.38531	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.22
Annotation	Gomisin D
Peak:m/z	Relative Intensity
53.03942	8.7
55.05513	16.6
55.44037	3.6
55.58376	4.0
56.05037	7.5
57.03436	15.9
60.26802	4.1
60.50937	3.9
62.43596	4.1
65.54133	3.7
67.05521	19.0
69.03425	12.2
69.07068	14.0
69.31266	3.9
69.38274	37.2
70.06590	77.2
72.08141	24.3
73.02916	4.5
74.06061	5.8
79.05479	9.7
81.03423	17.5
81.07068	28.3
83.08622	6.9
84.04521	10.0
84.08139	32.8
85.02914	24.8
86.03239	8.1
86.06071	6.7
86.09708	42.6
87.00826	10.8
87.05598	5.3
87.10040	4.8
89.06047	7.2
91.05471	14.3
93.07052	12.9
95.04980	5.8
95.08628	40.8
97.02908	8.0
97.06512	6.3
98.20761	6.0
98.98479	6.7
102.05519	4.3
103.05473	7.5
104.05793	4.3
105.01839	6.4
105.07020	11.9
107.04956	100.0
107.08614	4.1
108.05296	31.5
109.02888	11.5
109.05517	5.2
109.06507	4.3
109.10156	7.6
110.03204	3.9
110.07156	9.3
118.20786	3.5
119.08572	6.6
120.08105	14.9
122.99255	3.8
127.03971	22.5
129.10252	15.9
131.04945	25.3
132.05295	4.9
133.06483	4.7
133.10149	5.3
142.07321	4.4
145.06479	15.8
146.06927	8.1
157.06557	4.9
159.02882	5.6
161.13284	9.2
162.02168	4.3
169.06551	7.2
170.06859	4.0
174.00194	4.4
178.53445	4.6
179.14310	6.8
184.07300	21.3
214.07297	4.0
220.08789	6.0
221.09523	4.5
223.07623	4.2
223.13272	7.1
224.13657	6.5
253.18092	8.8
263.10687	16.6
264.10965	12.0
265.11353	7.7
271.19028	87.5
329.63217	3.6
477.54367	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	531.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.9
56.05025	6.0
56.96558	11.2
60.04529	3.6
69.04537	2.7
69.57298	11.8
69.57713	8.6
70.06592	83.3
71.06918	5.5
72.08158	30.1
74.06075	2.9
74.22115	2.7
83.06133	4.7
84.04510	23.8
84.08134	32.7
85.02882	6.2
86.06072	3.9
86.09703	37.3
88.03999	4.9
91.05445	3.9
93.04527	2.8
98.97581	71.1
99.69028	2.6
101.07130	5.6
102.05555	6.2
103.05448	3.3
105.07044	19.5
107.04953	24.6
110.07166	19.7
112.04108	2.6
112.11218	4.9
113.98986	2.9
116.98611	71.5
118.88718	2.9
120.08115	9.1
122.02464	3.1
127.08662	4.0
129.10229	18.7
130.05038	3.1
133.06493	100.0
134.99646	53.2
136.07553	7.9
146.06000	36.7
146.99643	3.9
153.00722	6.8
158.99646	5.6
167.08163	3.9
175.99884	3.0
177.00702	9.5
184.07277	4.0
189.00610	3.3
192.72284	3.1
231.03279	18.9
237.02699	3.6
249.04333	74.6
267.05365	11.9
272.05869	7.4
291.05475	16.1
351.07288	16.4
369.08557	92.3
392.10040	8.5
411.09579	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03317	0.7
51.13948	0.6
53.03938	0.9
55.16800	0.7
55.93524	0.8
56.94316	0.8
56.96556	3.6
69.03425	1.1
70.06590	6.4
70.95869	1.4
71.06267	1.9
72.08152	2.0
72.93778	3.1
74.97585	1.3
79.05479	1.3
81.03418	1.0
82.18735	0.7
84.04464	0.9
84.08147	2.0
85.02911	1.2
86.09709	1.6
87.04431	0.7
90.94832	2.2
91.05479	1.6
95.04962	2.7
97.02899	1.4
98.97578	2.6
107.04946	100.0
108.05296	1.4
110.07166	1.1
115.05034	0.9
115.08676	2.1
116.98613	3.1
120.08132	0.8
123.04430	0.9
128.98618	1.0
130.35576	0.7
132.95847	5.3
132.98096	2.1
134.99670	1.0
136.06232	0.9
136.07596	0.8
144.95854	1.4
145.05011	0.7
146.99649	1.3
147.04448	0.8
148.07588	1.0
150.96877	7.6
150.99142	4.3
156.95804	1.0
158.97377	5.2
158.99617	1.3
161.01178	1.2
162.04147	1.3
162.96896	2.4
162.98450	2.1
167.41003	0.7
168.95865	1.4
169.00224	2.9
170.99651	1.4
174.96873	1.8
176.98450	5.0
178.97906	9.7
180.99477	3.4
181.01761	1.0
186.96904	2.4
189.00644	0.8
190.96399	2.8
193.00133	1.8
194.97359	1.5
196.98967	11.8
198.96938	2.2
204.97990	1.1
208.97525	0.9
208.99724	2.1
212.98505	1.7
216.97893	5.5
217.01727	1.0
219.01573	4.5
220.98990	1.3
227.00784	0.9
234.98984	42.6
236.98528	2.5
237.02792	8.1
239.00089	1.0
239.02348	1.0
253.00058	8.0
254.99557	1.0
255.03841	1.7
258.00577	1.2
263.02118	1.9
265.05182	1.1
276.99930	1.9
277.02420	1.9
289.03619	5.4
292.99515	46.6
295.03336	9.3
309.04126	5.1
313.04391	0.8
323.02094	7.8
334.01984	1.1
365.05237	1.4
383.06372	7.7
383.10522	0.7
388.12012	0.7
433.68402	0.7
455.12750	1.0
475.51675	0.8
531.27142	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
55.01856	7.8
55.05508	41.4
57.03421	13.6
57.07050	7.6
57.84157	2.3
59.04989	3.9
65.03939	4.2
67.05502	100.0
67.46320	2.2
68.05843	3.9
69.03407	3.0
69.07060	26.9
70.06586	4.0
71.04983	4.2
71.08610	3.4
71.59261	3.2
73.02891	3.8
79.05051	5.0
79.05484	62.3
80.05827	4.3
81.03401	10.0
81.07052	84.8
82.07377	3.6
83.04972	9.3
83.08621	20.7
85.02903	8.4
87.04444	6.8
89.06010	11.4
90.90301	2.2
91.05468	37.0
92.05768	3.5
93.07036	53.8
94.07355	3.3
95.04955	12.4
95.08598	25.1
97.06519	9.7
97.10162	15.8
105.04495	2.5
105.07028	19.1
106.07322	3.9
107.04935	6.1
107.08590	32.1
108.08939	4.5
109.06512	4.9
109.10143	39.5
111.04398	3.3
111.08047	7.1
117.07049	12.3
119.08591	12.4
120.08937	2.5
121.06497	6.4
121.10128	16.9
123.11680	5.6
125.09623	14.7
129.05443	7.9
129.06992	2.8
131.08527	18.1
132.08925	3.7
133.08546	4.2
133.10121	18.1
135.11667	17.5
141.06868	2.4
143.08556	4.1
145.10107	7.6
146.10484	3.4
147.11684	5.6
149.13266	13.5
155.08461	2.8
157.10118	4.6
159.11693	9.2
161.13319	3.3
163.11198	6.0
169.10152	3.3
171.11623	3.2
173.11711	10.9
173.13133	3.4
177.12712	4.4
191.10803	3.2
195.13780	17.6
199.13251	9.7
209.11603	7.1
227.12726	4.5
229.14359	31.0
267.15811	2.9
269.17487	47.3
280.12885	2.4
301.16473	6.7
423.27426	14.8
438.34283	5.0
495.29471	12.9
512.37604	2.6
513.30225	10.5
529.87421	3.3
530.39349	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	530.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01867	0.7
55.05511	0.3
57.03437	0.7
57.07070	0.2
61.02925	0.7
61.99508	0.1
64.81308	0.1
67.05503	0.5
68.99783	0.3
69.03432	2.3
69.07061	0.3
70.04076	100.0
70.77892	0.1
71.04411	0.2
71.04979	0.3
71.59863	0.1
71.60226	0.2
73.02912	0.8
79.05494	0.2
81.03424	2.8
81.03905	0.2
81.07064	0.5
83.04976	0.2
83.08633	0.2
85.02904	6.0
85.06539	0.6
87.00832	2.0
91.03952	0.4
91.05479	0.3
93.07047	0.4
95.04981	0.3
95.08611	0.2
97.02891	2.4
99.04456	0.9
101.25791	0.1
105.01881	1.8
105.07051	0.4
107.04952	0.8
107.08559	0.1
109.02869	2.7
115.03967	0.2
117.01878	0.2
119.08586	0.3
126.35439	0.2
127.03918	4.1
141.01042	0.4
143.08200	0.5
145.04962	1.9
159.02882	1.8
169.08685	0.3
170.68884	0.1
172.00320	0.2
181.08562	0.2
182.03001	0.3
188.51675	0.2
193.63498	0.2
195.05711	0.2
211.09692	0.3
213.03992	0.3
213.06868	0.2
219.63432	0.2
231.04974	0.8
234.89954	0.2
276.90945	0.3
282.11908	0.2
282.18307	0.5
304.71704	0.2
384.95844	0.2
444.19653	0.2
506.14270	0.2
529.33649	0.2
530.33844	0.6
536.01593	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14263	0.2
50.16150	0.2
52.29218	0.2
53.03949	0.6
55.01873	0.6
55.05507	0.3
56.96581	0.3
57.03431	0.5
61.02915	0.5
67.05502	0.5
69.03423	1.9
69.07076	0.4
70.04073	100.0
71.04405	0.2
71.04997	0.4
73.02914	0.7
75.66718	0.2
81.03410	1.8
81.07047	0.3
84.08140	0.2
85.02901	5.3
85.06531	0.6
86.09711	0.4
87.00822	2.1
90.76369	0.2
91.03944	0.3
93.07028	0.2
95.04963	0.2
97.02883	2.4
98.20792	0.2
99.04436	1.0
105.01861	1.9
106.68543	0.2
107.04957	1.0
109.02870	2.1
114.66924	0.2
117.01878	0.3
127.03922	3.3
129.05441	0.2
141.01009	0.4
145.04938	2.0
147.82735	0.2
154.09763	0.3
159.02867	1.2
169.08644	0.4
177.00865	0.2
195.05765	0.2
211.09599	0.2
231.04944	0.8
258.16904	0.2
276.90912	0.3
282.09937	0.4
301.07309	0.3
304.23163	0.3
313.07419	0.3
326.32239	0.2
473.36078	0.2
530.34039	0.2
535.97296	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.1
55.01875	2.7
55.05507	24.1
57.03434	8.2
57.07075	18.6
63.61911	1.7
65.03953	4.7
67.05500	68.4
69.03426	3.5
69.07070	27.6
71.04991	4.1
71.08626	19.9
72.73605	2.0
73.02925	3.1
73.06562	3.3
77.47268	1.9
79.05489	62.7
81.03428	4.2
81.07050	73.6
81.07508	4.0
83.04983	4.6
83.08615	16.1
85.06538	3.3
85.10165	12.4
87.04464	10.2
89.06026	74.7
91.05473	54.0
93.07041	67.0
95.04969	13.5
95.08597	34.8
95.09144	2.8
97.06551	6.0
97.10187	6.7
98.20700	3.8
99.08125	3.0
103.05499	4.2
105.04565	2.5
105.07018	36.6
105.07650	2.1
106.07355	2.5
107.04974	7.1
107.07072	3.1
107.08591	34.8
109.06549	4.5
109.10154	12.8
111.08090	4.9
112.07710	2.0
117.07010	18.2
119.04922	2.3
119.08567	25.7
121.06506	30.8
121.10141	22.0
123.08080	2.7
123.11745	5.2
125.09633	4.5
128.06238	3.7
129.06998	11.3
130.08691	3.5
131.08568	25.4
133.08595	36.8
133.10120	23.9
135.08037	10.3
135.11671	15.7
141.07057	3.6
142.07848	2.0
143.08531	11.1
145.10117	20.4
147.07996	10.1
147.11674	11.1
149.09650	13.9
149.13251	16.4
155.08607	4.1
157.10190	7.1
159.08237	2.3
159.11694	18.8
161.13312	5.2
163.11157	5.0
163.14880	2.4
165.09158	7.2
169.10234	5.3
171.11790	7.3
173.13292	9.6
177.11307	6.2
177.12830	4.7
181.10269	2.4
183.11742	4.9
184.03276	2.1
185.13365	4.2
187.14938	5.6
189.11212	2.3
193.12296	2.8
195.11761	2.9
195.13832	4.3
197.13344	2.6
199.14928	2.2
201.16594	2.4
209.11720	4.6
209.13493	3.4
211.14899	3.7
221.13509	2.2
227.18161	2.4
247.20430	9.2
261.22241	3.1
275.20251	4.1
285.22241	3.8
291.23236	15.6
299.23813	1.8
403.23392	2.8
437.34451	10.0
455.34973	3.8
511.34509	3.8
528.87244	3.6
529.39069	100.0
530.39679	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	529.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.7
54.49813	1.0
55.01874	2.2
55.05510	17.7
57.03430	2.7
57.07062	4.0
57.66053	1.2
61.08785	1.2
65.03931	2.9
67.05501	58.7
67.95713	1.1
69.07063	19.1
71.04995	3.3
71.08582	1.5
71.31146	1.9
71.31489	1.8
77.45319	1.2
79.05492	40.5
81.07051	61.2
83.04975	3.1
83.08616	10.2
85.06535	3.5
91.04902	1.2
91.05475	29.4
93.07040	51.8
93.12406	1.0
95.04964	6.3
95.08604	33.2
97.06522	6.5
97.10183	3.3
99.08097	2.3
105.04520	1.0
105.07023	25.1
107.08592	29.2
109.06520	3.5
109.10148	10.9
111.08082	2.3
115.05447	1.4
117.06997	11.5
117.51087	1.1
119.08597	14.3
121.06501	1.1
121.10145	20.4
123.08092	2.1
123.11711	5.3
125.09595	1.5
129.06987	4.6
131.08565	20.2
133.08635	1.1
133.10129	13.3
135.11693	12.6
137.09578	1.2
139.11174	1.8
143.08542	6.3
145.10135	12.8
147.11694	7.1
149.13234	18.2
155.08583	2.3
157.10144	5.0
159.11671	14.5
161.13310	5.9
163.14870	1.7
169.10107	2.4
171.11729	5.0
173.13315	6.7
175.14774	1.5
177.12790	3.9
181.10191	1.6
183.11679	3.0
185.13283	2.3
187.14813	4.1
195.11804	1.3
195.13876	4.9
197.13185	2.1
199.14883	3.4
201.16371	2.1
209.13356	1.2
211.14944	1.6
213.16554	2.4
223.14650	1.6
225.16385	1.2
261.22211	4.9
276.90805	1.2
311.23761	1.9
317.24899	1.7
401.13367	1.2
419.33109	3.0
431.31259	1.2
437.34109	8.5
455.35260	4.1
473.36264	2.4
493.37195	2.0
511.38040	4.5
529.38867	100.0
530.39191	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.4
55.01863	2.5
55.05510	19.3
57.03440	6.0
57.07061	3.3
59.04987	1.6
61.10055	1.2
64.08689	1.0
64.84490	1.1
65.03939	4.0
67.05499	56.6
69.07063	21.9
70.73538	3.5
71.04990	4.1
71.08622	1.6
73.02895	1.1
73.06554	1.4
76.12419	1.1
77.03900	1.6
79.05486	47.7
80.84987	1.2
81.03412	2.2
81.07051	65.1
83.04977	4.1
83.08611	14.3
85.06543	2.4
87.04459	10.4
89.06026	26.3
91.05470	34.5
91.06002	2.1
93.07035	63.9
95.04973	9.5
95.08601	31.5
97.06519	6.4
97.10177	4.1
99.08057	2.0
105.07023	41.2
106.07379	1.7
107.04946	3.2
107.08590	29.5
109.06519	2.7
109.10157	12.3
111.08090	3.3
117.07019	11.4
119.08569	15.6
119.09352	1.5
121.06514	5.4
121.10143	22.2
123.08103	1.6
123.11704	3.8
125.09667	1.5
129.07014	5.2
131.08562	17.5
133.08603	9.2
133.10120	14.5
135.08080	2.4
135.11681	12.2
141.07051	1.4
143.08546	6.0
145.10107	12.7
147.08015	1.2
147.11673	10.5
149.09567	2.1
149.13243	21.2
151.11168	2.7
155.08614	2.5
157.10088	7.3
159.11674	15.1
160.77434	1.0
161.13287	3.6
163.14871	1.6
167.28488	1.0
169.10130	2.4
171.11685	5.0
173.13260	7.7
175.09589	1.4
175.14859	2.8
177.11375	1.3
177.12791	4.0
182.69707	1.2
183.11823	2.6
185.13284	3.0
187.14867	3.6
195.12054	2.0
195.13689	6.1
197.13269	1.6
199.14928	2.1
201.16469	2.3
208.02780	3.1
210.02477	3.5
211.14894	2.3
218.18509	1.1
241.19589	1.8
253.14404	2.8
259.20789	2.4
261.22174	3.0
263.64017	1.2
275.20129	2.2
299.23938	1.4
315.23422	1.3
317.24731	2.1
419.33514	2.1
437.34479	7.4
455.35303	2.8
473.36850	1.2
483.34531	1.5
501.35770	2.5
511.37781	2.3
528.87219	1.3
529.38971	100.0
530.39124	2.7
549.24634	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.01839	1.8
55.05510	17.4
57.03425	5.6
57.07067	6.4
65.03934	2.4
67.05495	47.2
69.07065	19.2
70.30704	2.1
70.73656	6.1
71.04984	4.5
75.13761	2.0
79.05047	3.6
79.05485	41.2
81.03416	2.1
81.07051	53.9
83.04951	3.6
83.08603	8.4
85.06522	1.7
86.85007	1.9
91.05473	29.0
93.07036	48.1
93.07626	2.9
95.04949	7.0
95.08025	3.6
95.08598	36.0
97.06527	5.1
97.10142	3.8
99.08106	2.4
105.07006	25.3
107.04955	2.5
107.08578	24.0
109.06516	2.8
109.10126	10.8
111.08059	3.6
113.09629	2.7
117.07011	13.4
119.08601	13.3
121.10146	15.4
123.11681	2.2
128.12794	1.9
129.07013	4.0
131.08549	21.5
133.10118	15.6
135.11700	10.0
143.08534	5.4
145.10092	14.8
147.11708	9.7
149.13257	13.2
155.08575	3.9
157.10112	7.2
159.11696	14.2
161.13255	5.8
169.10078	3.1
171.11678	6.8
173.13231	9.3
177.12700	1.9
181.10260	2.4
183.11661	3.6
185.13217	4.9
187.14803	3.8
195.13850	3.3
197.13237	2.2
199.14789	2.9
200.15952	1.8
210.13850	2.0
213.16466	2.6
256.26276	3.0
261.22156	2.9
311.23984	2.1
403.28381	2.2
419.32855	3.1
437.33966	13.2
455.35001	5.8
473.36395	3.5
511.37500	4.8
529.38782	100.0
530.39331	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
55.01861	2.3
55.05260	1.7
55.05508	19.3
55.80101	1.1
57.03428	4.2
57.07062	5.1
59.98382	1.2
65.03937	3.9
67.05498	69.7
69.07061	20.0
69.28139	9.6
69.28562	4.0
71.04988	4.7
79.05485	51.8
81.03414	1.8
81.07050	71.7
83.04977	4.4
83.08607	14.0
85.06545	3.4
91.05471	38.8
93.07036	62.0
95.04951	9.6
95.08595	33.3
97.06525	7.7
97.10171	2.6
99.08086	2.8
99.16328	1.2
105.04547	1.6
105.07026	23.6
105.07679	2.3
107.08582	32.3
109.06543	2.1
109.10149	13.9
111.08065	4.0
117.07006	14.5
119.08562	15.1
121.06483	2.0
121.10134	26.4
123.08089	2.7
123.11715	4.3
129.07004	4.9
131.08546	17.6
133.10126	16.1
135.08076	1.8
135.11678	12.1
139.11247	1.2
141.06970	1.8
143.08543	7.5
145.06552	1.4
145.10115	13.3
147.11658	7.4
149.13242	21.9
155.08585	2.7
157.10129	4.8
159.11679	12.5
161.13274	4.3
163.14784	1.8
169.10097	3.2
171.11739	4.7
173.13269	6.4
175.14874	1.5
177.12755	3.2
181.10109	1.5
183.11723	2.5
185.13199	3.4
187.14787	2.9
195.12044	1.5
195.13750	7.2
197.13271	1.9
199.14790	2.0
201.16498	1.7
209.13353	1.3
213.14815	2.2
233.36032	1.4
261.22244	3.9
299.23816	1.7
317.24844	1.8
437.33936	6.0
455.35278	3.6
493.36758	1.6
511.37756	4.3
529.38873	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.1
55.01879	1.6
55.05256	1.6
55.05507	20.7
55.32787	1.1
57.03427	5.2
57.07063	3.9
59.76597	1.2
65.03927	3.2
67.05501	65.4
69.07066	21.4
69.91692	2.0
69.92107	4.7
71.04978	4.4
71.08640	1.9
79.05491	53.3
81.03400	3.3
81.07053	73.5
83.04976	4.4
83.08617	13.4
85.06549	3.2
89.06030	1.1
91.05478	34.7
93.07038	64.1
95.04952	8.4
95.08604	35.9
97.06512	6.3
97.10160	4.8
99.08130	1.3
104.81151	1.3
105.07027	24.8
107.04953	1.3
107.08591	32.5
109.06500	3.8
109.10141	12.6
111.08076	5.3
117.07014	12.9
119.08575	14.4
121.10141	24.3
123.08065	1.6
123.11702	3.6
128.06207	1.1
129.06999	4.8
131.08572	21.2
133.10114	15.1
135.07979	1.1
135.11676	14.6
143.08586	4.3
145.10129	13.0
147.11682	6.8
149.13255	20.0
149.14360	1.6
151.11227	1.4
155.08539	2.6
157.10161	5.4
159.11708	15.5
161.13304	4.2
163.94545	1.2
169.10133	2.5
171.11713	4.6
173.13263	5.3
175.14841	2.4
177.12733	3.4
183.11674	2.0
185.13341	3.0
187.14827	2.6
195.11987	2.1
195.13826	7.6
197.13228	2.4
199.14964	2.1
201.16370	2.4
209.13348	1.4
211.14743	1.7
223.14841	1.5
241.19687	1.3
243.21184	1.3
256.26505	3.6
261.22168	3.9
276.91235	1.3
278.67291	1.1
297.22256	1.5
313.25253	1.5
317.24951	1.5
419.33139	2.0
437.34225	8.1
455.35486	2.0
475.35281	1.5
511.37796	3.4
528.87115	1.7
529.38892	100.0
530.39471	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.05508	6.1
56.62108	1.1
57.03422	1.3
57.07067	22.3
65.27131	1.2
67.05501	9.3
68.69608	1.2
69.07065	6.7
71.08624	41.1
73.02937	2.0
73.06561	2.5
78.19241	1.1
78.92004	1.1
79.05484	7.1
81.07051	5.8
83.08641	1.5
85.10172	20.3
87.04458	10.6
89.06023	100.0
91.05482	17.9
91.44334	1.4
93.07033	18.3
95.04974	5.9
95.08590	4.5
98.20757	2.2
103.05462	3.5
105.07022	23.4
107.04961	4.8
107.07068	4.9
107.08581	7.0
109.06509	1.1
109.10165	2.2
117.07007	4.0
119.04937	3.0
119.08577	8.3
121.06496	43.0
121.10123	2.3
130.08629	2.3
131.08566	4.2
133.08591	53.6
133.10103	2.3
135.08052	9.3
135.11713	3.7
145.10098	2.4
147.08018	11.0
147.11710	2.0
149.09573	9.9
149.13280	1.5
150.06714	3.0
159.11668	3.0
163.11162	5.3
165.09091	20.1
177.11209	14.6
177.12669	2.4
191.10614	2.8
193.12340	2.3
198.62061	1.2
209.11636	8.3
211.13269	2.0
221.13690	1.5
229.66019	1.5
235.13286	1.2
247.20528	16.8
261.22122	1.2
275.20160	2.1
291.23154	27.2
315.18085	2.2
403.23187	3.5
529.38550	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	529.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	13.2
55.01878	21.1
55.05509	42.3
56.96548	7.3
57.03431	28.8
57.07080	5.8
59.04989	6.2
60.15990	3.6
61.02688	3.8
61.02925	45.9
61.55239	3.9
65.03934	4.1
66.53196	3.8
67.05503	83.0
69.03419	39.9
69.07063	36.2
70.06571	9.3
71.04987	8.9
71.60037	6.3
72.08125	4.7
73.02921	27.7
79.05486	66.6
80.05840	4.7
81.03414	32.5
81.07053	92.5
82.07384	4.0
83.04971	17.6
83.08617	27.8
84.04478	6.2
85.02905	60.8
85.06509	6.9
87.04445	3.9
91.03961	25.3
91.05470	73.8
92.43259	3.7
93.07040	72.6
95.04966	27.2
95.08594	51.8
95.41689	3.7
97.02901	43.3
97.06523	43.7
97.10172	20.9
99.08085	4.8
101.02361	11.7
103.03917	5.5
105.04510	5.1
105.07030	62.7
107.04949	72.5
107.08588	55.0
109.02870	16.4
109.06496	15.4
109.10152	31.3
111.04437	6.9
111.08056	10.8
117.07000	25.4
119.08566	43.1
121.06461	10.7
121.10134	27.7
123.08049	14.3
123.11703	13.2
125.09630	19.7
127.03913	22.1
129.06993	8.7
131.08560	36.6
133.10132	38.3
135.08049	10.4
135.11685	18.1
137.09589	9.0
139.11305	3.8
141.06999	4.9
143.08534	10.6
145.04976	5.0
145.06413	5.6
145.10103	26.7
147.08032	5.5
147.11696	24.6
149.09598	25.6
149.13231	5.3
151.11209	7.0
157.10138	9.2
159.08043	5.1
159.11699	19.5
161.13304	8.4
163.11171	19.9
165.12711	4.6
171.10138	7.6
171.11566	6.4
172.03946	9.0
173.09634	5.7
173.11911	5.5
173.13251	18.0
177.12732	6.5
178.10001	4.4
179.14380	6.7
183.11758	5.2
185.13257	5.8
187.11142	6.2
187.14764	4.6
189.11179	16.2
195.13658	5.1
197.13156	5.2
204.06580	11.1
217.08755	4.8
219.17480	6.2
227.12669	19.6
229.14275	9.0
229.19501	5.1
234.99174	4.2
239.17958	9.9
245.13893	14.2
247.20612	4.7
253.17938	7.7
257.19119	18.9
267.15918	6.8
269.17313	9.6
275.20056	100.0
276.91049	5.3
281.10843	4.3
285.16916	6.3
293.21173	7.0
331.92697	5.1
349.23734	96.1
361.23242	5.0
367.24683	54.0
370.25586	4.2
383.22305	4.9
391.24963	8.2
511.28592	7.1
529.34216	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	529.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.1
55.01867	15.5
55.05506	22.7
57.03233	1.8
57.03434	20.6
57.07062	2.6
61.02921	52.5
65.03972	2.7
67.05498	62.8
69.03424	28.0
69.07060	27.8
70.06599	2.3
71.01350	2.9
71.04990	10.8
73.02911	22.1
79.05483	57.1
81.03412	25.6
81.07050	100.0
83.04971	14.6
83.08603	17.6
84.08134	3.0
85.02901	51.5
85.06545	4.7
87.04454	2.9
91.03944	28.3
91.05469	51.8
93.07034	51.4
95.04971	16.9
95.08591	36.7
97.02883	39.8
97.06514	21.5
97.10157	8.2
99.04446	8.6
99.08117	4.0
101.02378	7.4
103.03934	4.5
103.05468	3.1
105.07022	53.9
107.04945	22.6
107.08590	34.3
109.02847	10.8
109.06528	15.6
109.10158	24.2
109.23405	2.1
111.08082	7.6
115.03913	4.7
117.07005	20.6
119.08570	45.4
121.06522	5.4
121.10133	22.3
123.08070	6.4
123.11703	6.2
125.09609	6.3
125.57381	2.4
127.03931	18.1
129.05478	4.0
129.06970	5.7
131.08560	23.3
133.06471	2.2
133.10118	31.2
135.08040	11.8
135.11693	14.3
137.09631	6.6
139.11179	2.7
141.06976	4.1
143.08578	5.0
145.04903	3.6
145.06458	2.5
145.10110	19.8
147.08044	2.3
147.11668	25.9
149.09608	20.7
149.13228	12.8
151.11194	6.6
155.08556	5.0
157.10141	8.9
159.07994	2.2
159.11687	19.1
161.09636	4.2
161.13280	6.7
163.11224	10.9
163.14787	2.4
165.12746	7.2
169.10078	4.4
170.70000	2.2
171.10216	4.8
171.11703	7.0
173.13264	9.6
175.11180	3.4
175.14832	2.5
175.74944	1.9
177.12729	7.3
179.14333	3.0
183.06573	4.0
183.11723	3.1
185.13272	4.8
189.11137	4.6
189.16417	2.2
193.12195	3.1
195.13815	8.0
197.13272	4.7
214.14943	2.1
215.14459	2.2
229.14278	2.3
229.19543	5.3
235.17029	2.6
239.17891	6.4
247.20563	8.7
253.17961	2.6
257.19040	13.5
267.15930	5.6
269.17438	18.5
275.20050	85.6
275.23129	4.1
276.91068	2.9
285.17007	4.7
287.20068	2.3
293.21075	7.6
299.20016	2.4
349.23682	62.4
367.24738	47.0
391.24683	3.9
413.21527	2.8
506.50824	2.0
511.29150	2.5
529.29767	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	529.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85021	2.6
53.97779	2.8
55.05504	12.2
57.03430	8.1
57.07068	5.7
58.06590	2.9
63.76611	2.9
67.05501	63.4
69.03437	3.3
69.07057	16.3
71.04998	3.6
71.08611	3.4
71.59601	3.0
71.59988	3.5
73.02897	3.2
79.05493	41.9
81.07059	78.9
83.08630	4.8
83.39886	3.2
85.02914	10.3
91.05493	21.6
93.07043	51.2
95.01346	14.3
95.04932	4.2
95.08603	54.9
95.15176	3.1
95.75751	2.8
97.10147	3.1
99.08091	4.3
105.07053	19.9
107.08595	40.2
109.10155	34.5
113.02397	4.1
117.07046	9.8
119.08586	17.3
119.80689	3.6
121.10128	25.0
123.11709	17.3
131.08585	20.1
133.10112	17.7
135.11707	21.3
137.13254	7.1
141.01804	16.2
145.10083	14.3
147.11687	13.7
149.13239	18.6
159.11665	15.1
161.13254	9.7
163.14807	9.4
166.07556	3.0
170.99126	4.0
173.13275	12.4
175.14864	3.4
185.13287	4.3
187.14859	6.9
189.00087	9.9
227.01636	4.5
229.87769	3.3
233.22693	3.6
243.21062	19.9
255.98904	3.7
261.22119	100.0
291.59299	3.2
335.25763	9.2
337.27249	5.2
353.26849	67.0
355.22867	4.2
431.28256	4.4
469.22250	5.0
493.28165	6.0
528.87347	3.8
529.37451	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	529.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	6.5
55.01864	7.3
55.05507	8.4
57.03435	8.9
61.02925	28.3
67.05505	26.4
67.05839	2.7
69.03436	15.2
69.07066	39.1
70.06580	4.3
71.01357	1.6
71.05004	3.2
71.59470	2.0
72.08170	2.1
73.02921	17.9
74.43993	1.2
79.05489	19.4
81.03419	17.3
81.07058	33.4
83.04973	6.3
83.08614	5.4
84.08150	3.0
85.02905	24.7
85.06539	2.1
86.09702	2.9
87.79990	1.5
91.03969	13.0
91.05481	27.4
93.07044	18.3
95.01318	3.0
95.04977	9.1
95.08612	17.0
97.02888	22.0
97.06541	9.1
97.10195	1.9
99.08090	2.8
101.02381	4.3
103.05493	2.6
104.10770	1.5
105.07030	29.7
105.07693	2.8
107.04953	62.0
107.08585	8.9
108.05276	1.3
109.02882	2.8
109.06527	4.5
109.10165	3.5
109.34790	1.6
111.08073	3.0
115.05463	4.5
116.49731	1.6
117.07007	14.5
119.04952	2.4
119.08575	18.3
121.02878	7.6
121.06506	5.1
121.10139	8.0
123.04387	2.9
123.08087	3.4
125.09627	4.7
127.03922	5.1
128.06210	4.4
129.06993	12.1
131.04918	3.2
131.08568	12.7
133.06505	6.5
133.10136	17.3
135.08073	2.6
135.11713	6.3
137.09610	2.4
141.06999	4.0
143.08543	4.6
145.04919	1.6
145.05330	1.8
145.06490	19.7
145.10117	11.1
147.08051	5.7
147.11697	8.4
149.09627	12.2
149.13292	3.9
151.11197	4.1
155.08482	2.0
157.06490	16.5
157.10138	3.0
159.08061	4.9
159.11644	8.1
161.05893	1.4
161.09653	3.7
161.13283	6.0
163.11209	7.5
164.72653	1.5
165.06966	3.0
169.06491	8.5
171.08151	3.0
171.11684	2.8
173.06056	2.5
173.13284	2.6
175.14745	1.4
177.12746	3.1
178.07841	1.6
179.14288	16.4
181.06470	2.0
183.11723	3.6
184.07344	4.1
186.10199	1.8
187.11116	2.5
195.07985	2.1
197.13365	2.0
203.14267	2.0
205.12248	2.8
209.05968	1.8
211.07532	4.1
215.08595	2.1
218.07210	1.4
219.08003	2.8
221.09564	2.5
223.07567	1.7
231.07951	3.5
235.07518	3.4
237.09026	2.4
239.17903	1.8
247.07452	3.5
249.09029	3.8
250.09776	2.1
257.19031	4.9
261.09106	5.5
273.09213	1.7
275.20053	46.7
293.21298	3.2
299.19885	2.7
313.08920	1.7
324.11435	1.5
336.11227	1.5
349.23709	35.8
351.10266	1.6
352.10809	2.0
353.11621	2.5
355.13303	3.9
365.11823	2.9
367.13300	4.8
367.24783	100.0
369.15048	9.0
379.13034	3.7
391.24750	6.4
393.14661	2.0
405.14890	7.8
417.15024	2.1
423.15912	1.5
433.25146	1.6
435.16220	1.5
437.25101	1.5
493.28387	2.2
499.19131	2.6
511.18896	6.9
529.19952	16.6
529.30042	19.7
530.20294	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71866	5.1
55.05508	12.9
57.03440	7.3
67.05505	58.2
69.07076	9.7
71.08650	6.5
71.44712	8.6
79.05479	22.1
81.07055	64.9
85.02877	6.2
86.09665	6.0
91.05478	14.3
93.07033	41.0
93.24458	4.7
95.01304	9.6
95.04982	8.3
95.08603	43.4
105.07029	17.4
107.08583	29.6
109.10146	35.5
117.07030	7.8
119.08572	11.0
121.10139	19.4
123.11695	23.0
131.08560	9.2
133.10080	5.7
135.11678	21.8
137.13243	15.5
141.01846	12.4
145.10089	10.5
147.11659	9.3
149.13220	14.4
159.11697	14.1
161.13234	6.7
163.14774	6.3
173.13269	12.2
184.20700	5.1
184.70364	5.6
187.14769	7.5
203.35007	5.4
243.21107	23.2
261.22141	100.0
279.23016	6.7
335.25952	27.1
353.26828	73.7
401.23242	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	529.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.8
55.01872	21.4
55.05504	42.7
56.00958	3.3
56.96548	8.0
57.03430	27.8
57.07057	6.2
61.02920	48.2
62.43374	4.3
65.03921	3.9
67.05168	5.9
67.05496	79.7
69.03419	42.1
69.07065	43.9
70.88916	8.3
70.89265	4.6
71.01336	4.1
71.04968	8.8
73.02906	21.4
78.81701	3.2
79.05486	68.2
81.03412	32.3
81.07046	96.4
83.04958	13.0
83.08598	20.1
85.02894	53.1
85.06506	8.0
86.09717	3.7
91.03944	24.3
91.05464	59.4
93.07037	67.5
95.04952	22.6
95.08597	49.9
97.02886	41.8
97.06518	37.8
97.10150	13.9
99.04433	4.8
99.08062	6.0
101.02374	6.5
103.03923	6.4
103.05402	4.8
105.07024	65.6
107.04945	35.3
107.08586	46.9
109.02866	13.6
109.06496	23.9
109.10152	30.3
111.04398	5.9
111.08065	12.5
111.08785	3.8
116.98611	3.7
117.07009	30.6
119.07781	5.6
119.08571	61.7
121.06477	10.6
121.10150	23.4
123.08054	8.8
123.11646	6.4
125.09606	13.8
127.03910	17.9
127.43684	4.1
129.05481	4.6
129.06975	8.4
131.08554	32.0
133.10112	37.7
135.08029	14.7
135.11658	15.2
137.09584	9.1
139.26738	3.4
141.06960	5.2
142.07748	5.6
143.08537	8.7
144.40404	3.6
145.05017	5.9
145.06511	6.5
145.10118	36.4
146.51619	3.7
147.11673	30.0
149.01215	4.3
149.09584	21.2
149.13249	10.1
151.07507	4.1
151.11131	4.1
153.12695	3.6
155.08546	4.2
156.79028	3.7
157.10129	10.8
159.11679	22.5
161.09619	5.8
161.13258	11.5
163.11182	14.8
165.12712	5.0
167.10637	4.6
169.10071	6.0
171.10170	7.4
171.11665	9.3
173.04546	4.3
173.09653	4.3
173.11772	8.2
173.13191	8.4
175.11140	5.2
177.12749	8.4
179.14293	5.4
183.11661	9.5
187.11121	3.9
189.11185	10.5
193.12207	8.4
195.13782	7.8
197.13275	7.2
205.12254	4.6
217.08589	13.7
227.12700	5.8
229.14240	9.5
239.17897	8.4
245.13881	5.4
247.20428	8.2
257.19016	15.9
258.10922	4.0
269.10373	4.8
269.17520	19.3
270.10907	3.9
271.11057	4.5
275.11612	3.8
275.20050	100.0
285.10181	7.0
287.11673	4.6
293.21042	5.3
299.19827	3.9
301.13074	5.0
349.23691	85.1
367.24753	63.9
391.24533	4.8
529.29059	12.0
529.36121	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	529.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.8
57.03438	3.7
65.03930	1.0
67.05505	16.9
67.87622	0.5
69.07078	5.0
71.60078	0.6
79.05067	0.7
79.05495	9.4
81.07056	14.7
82.13455	0.5
83.08616	1.3
91.05470	4.4
93.07045	8.6
95.04975	1.2
95.08607	10.7
105.07018	2.3
107.08594	4.1
109.06506	0.8
109.10164	3.5
110.54705	0.5
115.03691	1.7
117.07021	0.7
119.08546	2.6
121.10124	1.9
123.11694	0.8
131.08572	1.3
133.10120	1.0
135.11661	1.0
145.10129	0.7
147.11659	0.5
159.76257	0.5
161.13150	0.7
173.13252	0.7
174.98582	1.3
176.99269	4.2
195.00308	100.0
213.00125	2.9
213.01947	0.6
231.01248	0.7
269.04050	0.9
276.90955	0.6
335.25800	20.7
357.23987	1.1
395.38321	0.6
437.20428	0.6
448.14249	0.5
455.20651	1.7
463.70895	0.6
473.21460	0.6
511.24170	0.6
522.17413	0.6
529.25262	10.0
530.25818	0.6
530.34106	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79942	0.1
51.02376	0.1
52.03166	0.2
52.35168	0.1
53.03950	0.4
55.01871	0.4
56.05035	0.4
57.03429	0.2
61.02930	0.1
65.03938	1.3
67.05496	1.8
69.03426	2.0
69.50505	0.3
69.50912	0.7
70.06586	1.1
71.01350	0.3
71.08633	1.0
72.08168	0.2
81.03417	0.4
83.06094	1.2
84.02129	0.2
84.04496	4.5
84.08142	0.4
85.02892	0.7
86.09699	0.3
86.87309	0.1
88.11263	8.2
95.01344	0.2
95.04956	1.1
97.02874	0.9
98.06043	2.4
102.05534	0.2
104.05435	0.2
107.04967	0.6
108.02089	1.8
109.02872	0.6
111.04422	0.7
112.01589	0.2
125.06018	0.3
126.57434	0.1
127.03895	1.1
130.04973	0.7
131.04927	0.1
136.01500	0.3
141.05449	3.7
145.04851	0.2
151.03896	100.0
151.04958	6.2
152.04218	0.6
153.13858	3.5
154.12254	4.0
168.06508	0.2
169.04987	0.4
171.14915	12.4
199.14403	17.8
200.12810	2.2
200.14577	0.1
217.15463	1.8
258.29041	0.1
259.08649	0.2
280.08109	0.3
281.08319	0.3
295.08191	0.3
313.08997	0.3
321.18228	0.2
349.17575	2.8
367.18619	4.7
529.23218	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68368	1.0
53.03937	3.6
55.01864	3.6
55.05530	1.7
56.96542	2.0
57.03429	3.7
58.88965	1.0
60.04514	1.1
60.72129	1.1
61.02913	4.6
67.05499	2.1
68.99740	1.3
69.03428	15.3
69.07056	1.6
70.06591	18.6
70.16787	4.1
71.04984	3.1
71.06915	1.3
72.08151	5.1
73.02917	4.8
79.05504	3.6
81.03412	13.2
81.07056	2.2
83.04962	1.4
84.04504	3.6
84.08118	7.6
85.02905	29.0
85.03423	1.5
86.09701	10.5
87.00832	6.2
87.04471	3.9
87.05609	1.3
89.06031	13.7
91.03943	2.3
91.05472	5.1
93.07023	1.3
94.06512	1.1
95.04964	4.5
95.06078	1.4
95.08616	1.5
97.02882	12.1
97.06538	1.9
99.04459	4.5
101.02419	1.5
103.03951	1.7
103.05479	6.5
105.01863	4.9
105.07037	3.1
107.04949	100.0
107.08595	1.3
108.05325	1.8
109.02861	10.3
110.07155	1.5
115.05413	2.8
117.07029	5.1
119.04958	4.2
119.08562	2.5
120.08110	4.3
121.02892	2.5
121.06513	2.8
127.03905	18.6
128.06284	1.4
129.01878	1.8
129.06992	3.9
129.10268	3.7
131.04915	27.4
132.05721	2.6
133.06456	2.0
133.08636	6.4
136.07571	3.7
137.05951	3.1
141.06958	2.3
144.07794	1.1
145.05000	5.6
145.06477	22.3
146.11819	1.2
147.02933	1.3
149.05997	2.2
149.09578	1.2
151.03894	3.6
152.07079	1.3
157.06485	13.2
159.02896	4.7
159.11562	1.2
166.08835	1.6
169.06459	8.7
171.07912	1.8
175.07571	1.3
177.11192	1.6
182.07274	1.1
187.07512	1.2
189.03912	1.6
195.08009	2.2
202.07742	2.4
203.08580	2.0
207.08104	2.1
208.08887	1.3
210.11627	1.7
215.08508	1.3
217.10162	1.8
218.07193	1.7
219.08095	2.1
220.08777	5.1
221.09506	1.6
223.07539	1.7
223.11116	2.5
231.04982	3.3
233.09468	1.5
235.11102	6.1
236.08257	2.9
245.09659	4.7
246.10304	1.7
247.07593	1.9
248.08298	3.6
249.09200	1.8
251.10648	40.8
263.10678	28.5
263.12836	1.0
275.10672	2.2
276.91104	1.2
281.11795	4.2
293.11978	2.0
299.09369	2.1
306.31232	1.2
317.11743	1.4
350.23209	3.3
367.20856	4.3
443.13715	4.2
447.73618	2.4
510.28244	1.4
512.28638	1.7
528.76221	4.1
529.25623	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	529.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.01855	2.7
55.05512	1.1
56.05021	1.2
56.96544	1.0
57.03431	2.3
61.02934	4.3
67.05494	1.9
69.03428	12.3
70.06587	8.1
71.04993	1.2
71.60380	0.9
72.08125	1.6
73.02901	2.1
79.05481	3.4
81.03415	10.3
81.07040	1.6
83.01351	0.9
84.04533	2.1
84.08133	2.3
85.02901	23.9
86.06056	1.3
86.09689	5.4
87.00812	7.7
91.03947	1.1
91.05457	4.0
95.04958	3.0
97.02897	7.5
99.04444	4.2
102.05589	1.2
103.03954	0.9
103.05451	5.5
105.01878	4.3
105.07057	1.4
107.04948	100.0
107.08571	1.3
108.05309	1.8
108.08080	1.3
109.02878	9.8
110.07135	1.4
115.05467	2.2
117.06998	4.2
119.04957	5.0
119.08588	1.5
120.05675	1.1
120.08049	1.4
121.10201	0.9
123.19242	0.9
124.07358	0.9
127.03902	17.1
128.06224	1.2
129.01839	0.8
129.06978	7.0
129.10237	1.0
131.04926	27.3
132.05716	2.3
133.06493	1.6
136.07533	1.0
141.06970	3.2
143.87582	1.0
145.04973	4.5
145.06485	25.7
146.05986	1.4
146.09642	1.0
147.02940	1.2
147.04315	1.3
157.06509	11.6
159.02869	6.3
169.06468	10.2
175.07512	2.1
187.07529	0.9
189.03860	1.0
191.08530	1.3
192.09380	1.6
194.07295	1.3
195.08070	1.6
202.07764	4.1
203.08536	2.2
207.08063	3.4
213.03920	1.0
215.08499	1.8
217.10217	1.3
219.08081	2.6
220.08865	4.9
221.09598	1.7
223.07487	2.0
223.11087	1.3
228.08986	0.9
231.04945	3.2
231.08145	2.1
233.09552	2.9
235.11143	7.7
236.08292	3.3
245.09627	3.9
247.07747	2.1
247.10860	1.0
248.08319	3.9
249.09227	1.4
251.10652	44.7
259.09692	0.9
261.09064	1.5
263.10651	30.7
275.10605	2.6
293.11758	2.5
313.09085	0.9
314.12048	0.9
317.11765	1.1
349.23862	0.9
395.15564	1.0
395.20505	2.8
465.39288	0.8
512.28094	1.6
529.26129	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	529.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.5
53.00330	0.4
53.03950	4.1
55.01868	4.4
55.70554	0.5
56.05043	0.6
57.03427	2.3
59.37130	0.5
60.63352	0.6
61.02911	2.0
63.84488	0.4
68.99785	1.4
69.03427	18.4
70.06592	6.1
70.92598	0.7
70.92905	0.9
71.04984	2.2
71.89317	0.5
72.08149	2.1
73.02930	4.0
79.05491	3.0
81.03418	18.5
81.07037	1.1
84.04483	1.2
84.08142	2.4
85.02905	27.8
86.09711	3.3
86.12380	0.5
87.00826	11.2
87.04529	0.6
87.09988	0.5
91.03904	1.0
91.05486	3.6
93.07055	0.6
95.04965	2.0
97.02902	10.8
99.04445	7.1
103.05466	5.8
105.01867	6.9
107.04954	100.0
107.99114	0.5
108.05260	1.0
109.02876	14.5
110.07174	1.2
115.03941	1.7
115.05444	3.1
117.01828	2.3
117.07029	4.2
119.04949	2.7
120.08112	1.4
121.02879	1.0
127.03912	20.7
128.06271	1.2
128.63449	0.6
129.01857	2.1
129.07001	3.2
129.10222	1.6
130.04944	0.6
131.04926	26.6
132.05724	3.4
133.06459	2.6
136.07654	0.5
141.06950	3.2
143.08591	0.5
145.04988	4.6
145.06491	30.4
147.02878	1.5
147.04465	1.2
149.05943	0.8
157.06508	5.5
158.07201	0.6
159.02881	7.7
159.08049	1.6
166.07864	0.6
169.06493	13.0
171.08070	2.8
175.07607	0.8
185.05815	0.5
187.07571	1.0
189.03917	0.7
190.07767	0.5
191.08591	1.5
192.09309	1.6
194.07352	1.2
195.08012	0.7
199.07658	0.7
202.07762	4.8
202.12265	0.5
203.08490	1.2
205.06448	0.7
206.07307	0.6
207.08133	2.4
207.11659	1.0
213.03978	0.7
215.08604	1.3
216.09413	0.6
217.10159	2.2
218.07208	0.8
219.08051	2.6
220.08827	5.8
221.09589	1.7
223.13263	0.6
226.07716	1.2
227.08580	0.6
231.05011	3.2
231.08083	2.0
233.09660	1.6
234.06686	0.7
235.07527	1.3
235.11148	6.1
236.08287	0.8
236.67902	0.6
244.08762	1.2
245.09636	5.4
246.10411	1.4
247.07614	3.2
247.11209	0.9
248.08301	5.0
249.09151	0.9
251.10672	8.6
261.09097	2.2
262.09888	1.3
263.10675	34.1
265.12277	2.1
269.17435	1.0
275.10669	3.1
287.10806	0.7
292.83765	0.6
293.11816	1.8
309.74872	0.6
317.11893	1.4
468.21417	0.5
529.25861	1.0
529.55798	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.1
53.03940	3.2
54.04627	0.7
55.01867	3.9
55.05500	1.1
56.05047	1.6
57.03431	2.6
58.06608	1.0
61.02915	2.7
67.05505	2.2
67.99294	0.8
68.99784	1.3
69.03429	16.0
69.15710	0.8
69.81588	2.4
69.81995	1.9
70.06592	10.5
71.01337	0.8
71.04988	1.5
72.08159	4.9
73.02911	3.0
79.05502	3.7
81.03419	15.5
81.07069	1.9
84.04513	2.8
84.08140	5.1
85.02906	25.4
86.09699	6.8
87.00829	7.2
91.05500	3.5
93.07027	2.3
95.04966	3.3
95.08589	2.1
97.02900	8.9
98.20930	1.3
99.04445	5.3
103.05453	6.7
104.10732	1.0
105.01842	5.2
105.73569	0.8
107.04955	100.0
108.05302	2.1
109.02875	10.1
110.07174	1.6
115.05450	3.6
117.07016	3.2
119.04945	2.6
119.08570	1.1
120.08092	4.6
121.02818	0.9
121.06502	2.3
124.99941	1.0
127.03918	19.3
128.06241	2.0
129.01888	1.6
129.07005	3.0
129.10242	2.8
131.04927	26.7
131.08493	1.1
132.05702	2.6
133.06485	3.0
141.07013	3.1
145.04993	3.9
145.06480	27.6
145.10147	1.1
147.02919	2.0
147.04442	1.8
155.06065	0.9
157.06468	4.5
159.02911	9.1
159.08054	1.7
169.06491	11.0
171.08037	3.2
179.08537	0.9
181.27132	0.8
184.07419	3.0
187.07562	1.1
194.07294	1.3
202.07803	3.2
203.08643	1.3
205.06554	1.0
207.08095	2.0
215.08446	1.2
217.10132	1.9
219.08115	2.4
220.08792	4.3
221.09744	1.2
226.07674	1.0
227.08505	0.9
231.05028	3.2
231.08099	2.1
233.09731	1.3
235.07549	1.6
235.11179	5.2
240.18752	0.9
245.09599	4.4
246.10373	1.1
247.07562	2.6
248.08359	4.6
249.09120	1.5
251.10645	6.5
261.09167	1.8
263.10687	30.2
265.12177	1.3
269.17441	1.7
275.10727	2.6
282.28333	1.1
317.11649	1.6
359.12946	1.4
529.25763	1.7
529.32220	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08756	0.3
55.05502	0.3
57.08366	0.3
58.07426	0.2
58.99749	0.2
67.05493	0.7
69.07065	0.4
71.58536	0.4
79.05499	0.4
79.47797	0.2
79.65034	0.2
81.07050	0.6
83.11503	0.2
87.05946	0.3
91.05492	0.5
93.07055	0.5
94.04051	0.6
95.08631	0.6
95.24056	0.2
107.08590	0.3
119.03561	1.4
119.08568	0.3
136.06190	100.0
137.04593	0.9
137.06535	0.6
249.33691	0.3
363.00345	0.3
497.00131	0.3
528.31641	4.4
528.38171	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	27.9
57.03432	15.3
58.69498	5.7
60.75965	5.5
62.06094	42.3
67.05511	48.6
69.07059	26.5
69.37648	38.4
69.38058	12.1
70.06588	16.9
71.08627	27.9
72.08131	6.4
79.05484	24.0
80.04989	9.2
81.07047	54.4
83.04991	9.6
83.08609	19.1
84.08136	6.5
86.09685	18.8
91.05469	21.2
93.07044	38.6
95.08597	15.4
97.06499	7.8
97.10192	7.0
98.98464	38.8
99.08081	15.9
104.10722	14.2
105.07023	10.6
106.19255	6.5
107.04939	22.6
107.08582	18.4
109.10193	14.4
111.08061	9.3
117.07021	10.5
119.08598	11.2
121.10120	14.4
125.58073	5.7
129.28273	5.3
133.10144	13.0
135.11678	9.8
144.20638	6.3
147.77821	5.9
149.13272	15.1
151.11203	11.5
155.01085	17.5
161.13277	12.1
165.12711	10.3
172.95226	12.0
177.12776	11.9
179.14180	6.9
184.07321	15.2
188.27048	5.5
189.27834	5.8
195.13750	6.4
217.90628	5.8
220.16937	11.1
227.13080	5.8
229.14388	18.2
229.92375	6.2
238.17830	7.4
259.20459	9.2
269.17462	80.9
277.21591	43.4
289.03165	6.0
309.10867	7.5
333.23999	6.8
334.14120	6.5
349.14035	32.6
351.25269	100.0
352.15021	11.3
369.26288	21.3
374.17139	20.6
392.18369	96.9
412.02695	6.9
413.20438	9.6
431.21997	33.5
474.26007	22.2
492.26810	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	528.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.6
55.01879	4.5
55.05510	24.0
57.03429	15.2
57.07058	2.8
67.05508	58.2
69.03410	3.0
69.07069	18.3
70.06590	7.1
70.12977	9.4
71.05022	2.8
71.08635	24.6
79.05492	31.2
81.03423	3.8
81.07056	48.7
83.04981	9.0
83.08612	19.9
85.06554	4.1
85.10169	2.2
86.09702	7.6
91.05484	23.8
93.07048	43.9
95.04955	6.4
95.08619	20.2
97.06522	5.1
97.10166	10.4
98.98475	5.0
99.08089	19.1
105.07061	11.6
107.04977	6.0
107.08586	26.5
109.06476	4.4
109.10182	19.4
111.08091	6.3
113.09631	5.4
117.07005	8.6
119.08585	10.7
120.08133	3.0
121.10151	14.9
123.11679	3.1
125.09681	4.5
129.05418	2.7
131.08545	7.4
133.10129	10.9
135.11705	8.3
140.20357	2.4
145.10147	5.8
147.11674	10.1
147.45197	2.2
149.09708	2.6
149.13249	14.7
151.11186	9.3
157.10188	2.3
159.11710	7.4
161.13284	4.8
163.11211	4.8
163.14915	4.1
165.12730	5.2
173.11723	8.7
173.13141	2.9
177.12820	3.4
179.14345	6.2
179.75192	2.4
184.07329	6.3
189.11220	4.6
195.13753	5.6
217.77946	2.3
220.16992	2.6
229.14375	25.9
238.18031	4.3
241.19553	3.2
259.20502	4.5
269.17490	100.0
274.24338	2.4
277.21695	20.7
295.22623	5.6
308.14316	2.9
333.24338	16.6
333.29007	2.2
351.25311	72.1
352.15210	4.1
364.71826	2.5
369.26337	50.9
374.16992	5.7
387.27527	6.0
392.18298	26.7
474.25623	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	528.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
55.05498	0.6
57.03424	0.9
61.02919	1.5
67.05491	0.4
69.03419	1.2
70.03437	1.3
70.06239	0.4
70.06589	3.8
71.04987	1.0
72.08152	0.8
73.02913	1.3
81.03425	0.5
81.07062	0.4
84.04491	0.7
84.08128	0.9
85.02906	2.2
86.09693	1.6
87.04460	0.3
91.03951	0.7
91.05488	1.2
92.04996	3.1
93.05797	0.6
94.06572	0.5
95.04949	0.3
97.02888	1.1
101.02386	0.4
106.06552	0.9
107.04938	3.1
109.02881	0.3
110.07170	0.6
117.05723	0.9
118.06532	9.6
119.07352	0.6
120.08104	1.3
121.06523	0.4
124.07561	0.3
127.03926	0.4
130.06502	0.6
131.07288	0.3
133.10049	0.3
134.09622	0.3
136.06279	0.3
136.07578	0.3
144.08144	0.4
146.09657	0.5
157.43520	0.3
162.09128	10.6
163.09889	2.3
164.10715	0.7
176.10742	0.8
192.11630	0.3
202.15880	2.2
229.14365	0.3
230.15384	18.9
231.15543	0.3
248.16534	0.8
279.75656	0.3
292.15695	0.5
292.19046	10.9
303.05090	0.6
304.19070	1.3
322.20181	1.5
332.21896	0.4
334.06219	0.4
366.22723	15.0
528.28003	100.0
529.28412	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	5.7
57.03427	8.5
57.98783	3.6
67.05492	13.9
69.03413	11.3
69.07075	4.5
70.06575	15.7
71.04976	3.9
71.59798	5.4
73.02910	10.2
79.05502	9.6
81.03397	14.6
81.07048	12.7
84.08125	5.8
85.02907	18.2
86.09692	7.0
87.04458	4.7
91.05466	10.9
93.07055	5.9
95.04964	25.1
95.08594	34.4
97.02880	18.8
97.06499	3.9
99.04439	5.5
99.69208	4.0
105.07042	5.2
107.04956	68.6
107.08593	10.2
109.10117	11.8
111.04548	4.0
111.41074	4.2
115.38258	4.4
119.08685	5.2
121.06513	22.3
121.10124	4.9
123.08024	6.1
127.03893	10.0
129.59114	3.8
135.08035	9.4
145.04997	8.2
145.06494	3.6
147.08090	4.3
149.05983	65.9
149.09669	7.9
151.07541	13.9
161.09625	5.9
163.07527	7.3
167.07069	7.2
168.74730	4.8
177.05498	39.5
177.84964	4.2
189.09135	23.6
191.07057	8.5
201.09116	16.5
203.10626	5.6
210.14981	5.3
215.06920	5.7
217.08556	25.1
229.08620	8.0
229.12238	9.4
231.10194	5.1
257.15329	24.5
261.50610	5.1
267.13766	13.8
274.18839	5.6
285.14880	82.7
295.13211	7.9
303.15942	16.7
313.14313	100.0
331.15363	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21688	0.3
55.05487	1.0
55.36213	0.3
56.05016	0.4
60.04514	0.3
61.02916	1.0
67.05492	1.2
69.03405	0.9
69.07061	0.7
69.77253	1.1
69.77670	0.8
70.06587	8.1
70.54213	0.3
70.94528	0.3
71.04987	0.4
72.08142	1.6
73.02898	1.2
81.03407	1.1
81.07051	0.5
84.04494	1.6
84.08140	1.5
85.02891	1.9
85.20579	0.3
86.09702	2.9
87.04477	0.4
91.03945	0.4
91.05470	3.6
92.04990	3.8
93.05781	0.6
93.07078	0.4
93.14353	0.3
94.06558	1.0
95.04963	0.7
95.06042	0.5
97.02873	1.2
97.06526	0.6
98.06051	0.5
101.02392	0.4
102.05552	0.5
105.07008	0.5
106.06549	1.4
107.04948	5.6
108.05247	0.3
109.10149	0.6
110.07136	1.0
111.13876	0.3
116.07067	0.4
116.98550	0.4
117.05707	0.7
118.06532	10.4
119.07280	0.9
120.08106	1.8
121.06517	1.0
129.10204	0.9
130.05006	0.4
130.06519	1.1
133.10100	0.4
134.09592	0.5
136.07553	0.5
146.09659	0.9
148.07527	0.4
149.09673	0.4
151.03880	3.4
152.04245	1.4
155.08139	0.4
156.04779	0.6
159.64340	0.4
162.09131	10.6
163.09901	2.9
164.10713	0.6
169.13350	0.6
176.10732	0.6
184.04283	0.4
197.12967	0.3
198.13121	0.3
202.15904	2.6
229.12108	0.4
229.14462	1.0
230.15376	21.9
234.98901	0.4
237.02644	0.4
245.07449	0.3
248.16409	1.6
272.12640	0.4
274.18130	0.5
292.19049	36.3
293.19333	0.7
298.97763	0.3
299.10846	0.4
304.19095	1.3
322.20175	0.9
366.22729	7.9
390.10410	0.3
404.19366	0.4
412.24814	0.4
443.13440	0.6
510.27036	0.6
528.28009	100.0
529.28369	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	528.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37322	1.1
53.00294	1.0
53.03942	1.1
55.01888	1.7
55.05520	4.8
56.96560	4.8
57.03431	2.6
57.03713	0.9
57.07073	22.7
59.05006	1.2
61.02927	5.0
67.05509	7.2
69.03433	2.1
69.07066	100.0
70.04069	4.4
70.07478	1.0
70.07829	5.3
71.04977	1.0
71.59639	1.3
73.02916	3.0
79.05491	6.4
81.03416	2.9
81.07057	6.6
83.04918	2.5
83.08609	1.7
85.02911	5.9
87.04449	1.2
91.03932	2.7
91.05458	6.5
93.07053	5.7
94.04117	1.1
95.04965	3.1
95.08617	4.3
97.02884	3.5
97.06525	1.2
98.97580	1.5
99.00005	3.6
105.07042	6.6
107.04951	2.9
107.08596	4.0
109.10139	2.1
113.01569	2.0
115.07559	23.6
116.98618	1.1
119.08599	3.6
121.06517	2.4
121.10109	1.9
125.09599	1.2
126.99445	9.0
127.03904	1.1
129.01018	13.9
129.07005	1.6
131.08530	2.5
133.10159	3.4
135.11684	2.6
137.04575	3.6
139.00572	0.9
141.01019	17.3
143.08516	1.5
145.10178	2.4
146.99669	1.1
147.11659	1.5
152.22804	1.2
155.02586	7.1
159.11763	1.2
163.11148	2.6
179.06763	4.3
189.11270	1.1
191.06773	8.8
192.07599	4.0
197.07272	53.3
211.13313	2.2
219.06250	9.1
221.04820	1.2
224.06575	2.2
225.06807	3.8
227.12909	2.0
231.08879	1.4
247.13054	1.7
252.29649	1.3
255.09056	1.4
269.10648	1.4
269.17380	1.2
275.12555	3.2
283.15424	2.1
285.16989	3.3
291.19272	2.5
323.15277	1.4
347.15421	1.5
349.16898	2.8
350.16864	1.3
353.16446	1.1
365.16000	3.2
367.17773	5.0
374.15945	1.9
390.15698	2.5
403.12784	64.5
431.13501	0.9
459.19080	25.8
493.27957	2.9
508.35876	1.1
528.01544	1.8
528.37311	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37322	1.1
53.00294	1.0
53.03942	1.1
55.01888	1.7
55.05520	4.8
56.96560	4.8
57.03431	2.6
57.03713	0.9
57.07073	22.7
59.05006	1.2
61.02927	5.0
67.05509	7.2
69.03433	2.1
69.07066	100.0
70.04069	4.4
70.07478	1.0
70.07829	5.3
71.04977	1.0
71.59639	1.3
73.02916	3.0
79.05491	6.4
81.03416	2.9
81.07057	6.6
83.04918	2.5
83.08609	1.7
85.02911	5.9
87.04449	1.2
91.03932	2.7
91.05458	6.5
93.07053	5.7
94.04117	1.1
95.04965	3.1
95.08617	4.3
97.02884	3.5
97.06525	1.2
98.97580	1.5
99.00005	3.6
105.07042	6.6
107.04951	2.9
107.08596	4.0
109.10139	2.1
113.01569	2.0
115.07559	23.6
116.98618	1.1
119.08599	3.6
121.06517	2.4
121.10109	1.9
125.09599	1.2
126.99445	9.0
127.03904	1.1
129.01018	13.9
129.07005	1.6
131.08530	2.5
133.10159	3.4
135.11684	2.6
137.04575	3.6
139.00572	0.9
141.01019	17.3
143.08516	1.5
145.10178	2.4
146.99669	1.1
147.11659	1.5
152.22804	1.2
155.02586	7.1
159.11763	1.2
163.11148	2.6
179.06763	4.3
189.11270	1.1
191.06773	8.8
192.07599	4.0
197.07272	53.3
211.13313	2.2
219.06250	9.1
221.04820	1.2
224.06575	2.2
225.06807	3.8
227.12909	2.0
231.08879	1.4
247.13054	1.7
252.29649	1.3
255.09056	1.4
269.10648	1.4
269.17380	1.2
275.12555	3.2
283.15424	2.1
285.16989	3.3
291.19272	2.5
323.15277	1.4
347.15421	1.5
349.16898	2.8
350.16864	1.3
353.16446	1.1
365.16000	3.2
367.17773	5.0
374.15945	1.9
390.15698	2.5
403.12784	64.5
431.13501	0.9
459.19080	25.8
493.27957	2.9
508.35876	1.1
528.01544	1.8
528.37311	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60577	0.7
55.05492	2.9
56.96546	1.1
57.07072	27.1
61.02905	1.4
63.23980	0.7
64.00157	0.8
67.05505	3.7
69.07062	100.0
70.04071	18.8
70.07834	4.6
71.04982	0.8
71.59673	1.1
73.02882	1.0
79.05481	2.1
81.07039	2.7
82.04062	0.9
83.04845	1.6
85.02886	1.3
91.03975	1.3
91.05451	2.4
93.07034	1.9
95.04942	1.2
95.08640	1.1
97.02888	1.3
98.99999	2.4
99.08130	1.0
103.03094	1.2
105.07022	1.9
107.08565	1.1
109.10167	0.9
110.03437	0.9
110.04636	2.6
113.01548	2.2
115.07555	22.4
117.06995	1.0
119.08603	1.9
121.02841	1.2
121.06413	0.9
121.10117	1.3
126.10154	0.8
126.99463	8.9
129.01018	15.1
129.65968	0.8
133.10049	0.9
135.11667	1.0
137.04550	5.3
141.01013	18.7
155.02550	8.0
158.24721	0.7
161.09564	0.8
177.72798	0.8
178.09741	0.9
179.06720	3.2
180.49403	0.8
191.06732	12.3
192.07556	5.5
197.07266	51.5
198.07739	0.8
208.11890	0.9
219.06200	12.2
224.06508	4.8
225.06683	4.5
243.08948	0.8
247.13091	2.0
248.13765	1.5
275.12515	4.1
276.13254	1.5
279.92844	0.8
280.12891	1.1
285.10074	1.9
305.05325	2.4
334.19449	1.0
362.16220	1.4
385.11682	4.7
390.15775	4.5
403.12766	74.5
404.13150	0.9
459.19003	40.5
528.01495	1.9
528.37061	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.7
56.80136	0.3
65.46284	0.3
67.05503	1.6
69.07078	0.7
70.73471	0.5
70.73807	0.6
79.05497	1.0
81.07052	1.5
84.08142	0.4
85.02899	0.7
91.05486	1.0
93.07040	1.2
95.04960	0.4
95.08603	0.8
97.06602	0.3
105.07040	0.6
107.08600	0.7
119.08574	0.6
121.10139	0.6
122.43341	0.3
123.04317	0.3
123.62663	0.3
133.10182	0.4
135.11665	0.7
146.09682	0.8
149.13445	0.4
172.09912	0.5
173.10735	0.6
175.12233	1.8
179.14369	0.6
187.12303	32.5
188.13029	2.8
197.10736	10.4
197.38782	0.3
198.11484	1.1
199.12274	3.4
201.13875	1.8
207.92052	0.3
211.12276	2.7
212.13080	19.9
213.13814	3.4
214.14616	0.4
224.13023	0.4
225.13846	3.4
226.14635	3.8
227.15421	13.0
228.16023	0.4
239.15430	2.1
240.16202	0.4
241.17076	1.0
253.17026	0.9
255.18610	0.4
255.92735	0.4
257.20096	0.4
259.20529	0.5
267.18509	0.7
269.20255	0.6
277.21683	0.8
283.21759	1.1
297.23123	0.8
343.23682	0.4
351.25159	0.7
355.23785	5.2
383.98206	0.3
429.27386	5.5
453.34750	15.0
454.34814	0.7
527.38440	100.0
528.38794	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	528.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56805	0.6
55.01862	1.0
55.05511	4.0
56.59766	0.6
56.96567	1.8
57.03429	1.9
57.07072	25.0
59.55050	0.7
61.02920	2.3
67.05501	6.4
69.03416	1.4
69.07063	100.0
69.95841	3.7
70.03690	1.1
70.04073	19.2
70.07835	4.7
72.19579	0.6
73.02902	0.7
79.05486	3.6
81.03416	1.4
81.07048	5.2
82.04075	1.0
83.04859	1.3
83.08614	1.3
85.02901	2.6
85.06577	0.7
91.03935	1.8
91.05482	4.3
92.59635	0.6
93.07053	3.2
94.04195	0.8
95.04987	1.7
95.08611	1.8
97.02883	1.6
97.06512	0.9
98.21431	1.0
98.99998	3.6
99.67767	0.8
101.09675	0.8
103.54173	0.8
105.07031	4.1
107.04993	1.5
107.08593	2.5
109.06561	1.2
110.03535	3.9
110.04179	0.8
111.04423	0.8
113.01572	2.2
115.07568	21.8
115.08374	1.4
117.06992	1.4
119.08592	1.9
120.05704	0.6
121.10119	1.4
123.04416	0.7
126.99458	9.0
129.01027	13.4
129.06952	1.1
131.08589	1.3
132.84444	0.8
133.10164	1.6
135.11670	0.8
137.04558	3.4
139.00568	0.9
139.72044	0.8
141.01018	16.8
141.66156	0.7
144.03200	0.7
145.10170	0.9
148.08769	0.9
155.02565	7.8
159.11711	1.1
161.09644	1.1
170.99438	0.7
171.11668	0.9
179.06789	3.1
186.45255	0.8
190.09750	0.7
191.06738	13.1
192.07515	6.5
195.00336	0.9
197.07268	47.0
199.07086	1.3
206.09250	1.0
219.06232	10.0
219.07854	0.8
224.06445	3.5
225.06770	3.9
237.05630	0.8
247.13132	2.0
275.12552	3.6
276.13379	1.2
280.12921	1.4
291.19424	0.9
293.13510	0.9
342.37851	0.7
347.13062	1.1
362.16553	1.4
390.15833	5.0
403.12772	69.9
459.19049	46.9
528.01410	4.6
528.37354	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.8
55.05499	15.6
57.03442	3.4
57.07049	4.1
67.05164	2.2
67.05501	23.6
69.07074	12.0
69.35905	5.8
69.36323	11.1
71.04963	1.8
73.22844	2.0
79.05489	21.9
81.03410	3.9
81.07047	26.7
82.13866	1.7
83.08615	6.8
85.27505	1.7
89.06020	5.6
91.05476	20.8
93.07024	19.1
95.04956	3.6
95.08609	15.3
97.06532	2.1
97.10167	3.0
105.07025	24.2
105.07689	2.9
107.08583	10.1
109.10146	6.1
117.07014	12.6
119.08572	17.0
121.06490	2.4
121.10175	7.3
123.11679	2.0
128.06206	3.4
129.07008	12.0
131.08553	22.7
133.08607	3.7
133.10092	8.5
135.11635	5.0
141.06989	4.9
142.07822	3.9
143.08571	14.8
143.20044	2.0
145.10091	16.6
147.11673	5.5
155.08554	11.2
157.10153	13.4
159.11673	13.2
161.13336	2.2
167.08557	3.1
169.10103	11.9
171.11725	13.1
173.13269	6.8
181.10147	5.7
183.11671	9.9
185.13275	8.3
187.14873	3.1
193.10159	2.9
195.11731	5.8
197.13222	8.5
199.14888	3.7
211.14799	4.8
223.14766	3.7
225.16241	2.2
227.17857	2.2
297.22308	2.1
309.22055	1.8
323.23932	2.2
335.23590	1.9
417.31610	3.1
435.32635	13.6
453.33633	6.9
471.34567	4.1
491.35446	3.2
509.36047	7.9
527.37286	100.0
528.37921	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	527.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.1
55.01859	2.1
55.05509	16.0
57.03450	5.2
57.07084	6.1
59.76798	1.0
63.22778	0.9
67.05502	29.8
69.07059	10.8
69.64738	7.2
71.04993	2.7
71.08626	1.5
73.02901	1.5
75.54318	1.0
77.53815	1.0
79.05487	21.2
81.03423	1.8
81.07050	27.5
83.04966	1.5
83.08604	6.8
85.06539	1.7
85.18354	1.2
89.06025	3.8
91.05479	20.5
93.07042	22.3
95.04957	2.4
95.08607	19.7
97.06531	2.1
97.10163	3.7
105.07020	21.7
105.07673	1.8
107.04939	2.0
107.08574	10.1
109.06472	1.9
109.10142	6.2
115.05476	1.9
117.07007	12.4
119.08572	13.8
121.06442	1.7
121.10108	7.1
123.08056	1.0
123.11722	1.2
125.09637	1.8
128.06235	4.3
129.07001	14.8
130.07759	1.6
131.08549	24.3
133.10123	10.5
135.11688	4.2
141.06932	6.3
142.07748	3.9
143.08548	21.3
145.10104	17.7
147.11673	6.1
149.09515	1.1
149.13252	2.5
154.07777	1.6
155.08551	13.7
156.09290	1.5
157.10110	17.6
159.11711	12.0
161.13301	2.8
163.11172	1.3
165.06993	1.3
167.08601	3.8
168.09308	1.3
169.10129	13.6
170.10759	1.6
171.11671	14.8
173.13258	8.3
179.08508	2.1
181.10103	5.3
183.11668	13.1
185.13219	10.0
187.14813	4.5
193.10158	2.7
193.12224	1.1
195.11710	7.4
197.13248	9.8
199.14815	6.2
205.16029	1.3
209.13287	3.7
211.14816	5.6
213.16423	3.2
221.13187	2.5
223.14803	5.3
225.16408	3.1
235.14801	2.2
237.16295	2.2
241.19637	1.7
249.16362	2.5
253.19452	1.2
259.20599	1.4
265.19263	1.1
269.17267	1.1
279.52454	1.1
295.20535	1.4
297.22223	1.8
301.21683	1.1
309.22205	2.2
311.23691	1.7
323.23615	1.9
325.25296	1.8
417.31546	8.3
435.32547	21.1
453.33478	9.7
471.34717	3.3
473.34183	1.4
491.35104	2.9
509.36252	11.2
522.65247	1.2
527.37286	100.0
528.37451	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	527.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.9
53.03930	2.1
55.01861	2.3
55.05509	11.7
57.03439	4.3
57.07067	4.9
59.04986	0.8
65.03925	1.0
67.05500	24.2
69.07059	12.7
69.46715	7.2
71.04967	2.1
71.08620	1.6
75.86309	0.8
79.05480	18.3
81.07050	25.4
83.04974	1.4
83.08613	6.7
85.06512	1.2
87.52794	0.9
89.06024	3.4
91.05467	18.5
93.07038	18.6
93.37278	0.8
95.04942	3.9
95.08595	16.7
97.06529	2.4
97.10168	3.3
98.20751	2.0
98.85495	0.9
105.07021	16.7
107.04903	1.2
107.08590	7.8
109.10143	8.2
111.08112	1.5
115.05435	2.0
117.07016	13.6
119.08567	11.9
121.10138	6.2
123.08070	1.2
123.11696	1.5
125.09609	1.5
128.06226	3.5
129.06989	13.5
131.08551	19.9
133.08589	1.6
133.10127	10.3
135.08090	1.6
135.11665	3.0
136.08711	1.7
141.06990	4.1
142.07791	2.5
143.08553	17.0
144.09242	1.1
145.10107	17.1
147.08072	0.7
147.11720	4.4
149.09615	0.9
149.13264	2.9
153.06996	1.3
155.08524	11.0
156.09309	1.5
157.10110	16.5
159.11667	13.4
161.13229	3.1
163.11230	0.9
167.08530	4.1
169.10114	13.0
171.11671	14.5
173.09549	0.9
173.13240	6.6
175.14784	1.0
181.10036	5.9
182.10851	1.5
183.11670	13.9
185.13235	10.3
187.11116	0.9
187.14828	3.5
193.10088	2.0
195.11694	6.5
197.13258	9.3
199.14783	5.8
207.11710	1.6
209.13257	4.8
211.14841	6.3
213.16388	2.5
221.13283	2.6
223.14832	3.7
225.16388	3.3
227.18062	1.9
229.15996	1.0
235.14824	1.9
237.16406	1.3
239.18030	1.9
249.16464	1.4
251.18124	1.2
259.17407	0.9
259.20441	1.7
269.18945	0.8
269.22617	1.2
277.19614	0.9
283.20602	1.2
285.18552	1.0
287.20081	0.9
297.22153	1.7
299.20053	1.2
311.23474	1.1
323.23859	1.9
325.21799	1.1
337.25055	1.2
349.25256	1.6
367.26434	1.1
407.33148	1.5
417.31616	8.6
435.32550	19.0
453.33618	7.8
471.34714	2.4
473.34067	1.8
483.34647	1.2
491.35202	2.3
509.36166	11.8
527.37292	100.0
528.37732	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	527.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.2
55.01867	2.6
55.05508	15.3
57.03424	4.0
57.07064	2.4
59.04998	0.7
61.02924	1.3
65.03946	1.8
67.05501	26.8
69.07062	13.6
69.36497	4.1
69.36925	2.5
71.04979	1.6
76.21914	0.8
77.03956	1.1
79.05487	19.1
81.03411	4.0
81.07054	26.6
83.04982	2.4
83.08624	6.3
85.02898	2.0
85.06539	1.4
91.05475	23.5
93.07046	18.4
95.04943	4.2
95.08604	18.3
97.02871	1.1
97.06543	3.0
97.10187	4.0
98.20681	1.3
99.08094	0.8
103.05490	1.2
105.07022	18.0
107.04957	2.3
107.08586	11.5
109.06493	1.7
109.10140	9.2
111.08115	2.1
115.05450	2.3
117.07004	10.0
119.08577	13.6
121.06486	1.0
121.10127	8.2
123.08054	1.2
123.11710	2.6
123.33093	0.7
125.09628	2.2
128.06247	3.9
129.06995	13.1
130.04840	0.9
130.07802	1.1
131.07570	1.4
131.08557	19.6
131.70337	0.8
133.06473	1.2
133.10107	10.2
135.08038	1.4
135.11658	3.6
139.11160	1.1
141.06969	4.9
142.07796	2.5
143.08549	16.4
145.10117	16.8
147.11671	6.0
149.09624	1.5
149.13275	2.5
153.06995	1.0
154.07777	0.9
155.08560	10.8
156.09346	1.3
157.10123	17.7
159.11699	13.2
161.13251	2.9
165.06970	1.0
166.07680	0.8
167.08546	4.5
168.09402	1.9
169.10117	14.4
170.10670	0.8
171.07982	0.9
171.11684	14.3
173.09613	1.2
173.13234	7.0
173.46272	0.7
175.11163	1.4
179.08545	1.5
181.10132	5.6
182.10854	1.1
183.11699	13.0
185.13252	10.5
187.14832	3.0
189.12804	1.1
193.10155	1.2
193.12253	1.0
195.11652	5.7
197.13231	10.2
199.11203	1.1
199.13290	1.0
199.14798	5.8
201.16386	1.6
206.30173	0.7
207.11707	2.0
209.13261	5.6
211.14821	4.4
213.16412	2.1
221.13281	3.0
223.14778	3.5
225.16391	2.2
235.14868	1.8
237.16402	2.9
239.18037	1.5
249.16283	1.2
251.17947	1.6
255.17506	0.9
257.18927	1.4
259.20566	1.5
262.03885	0.9
265.19543	1.0
269.19165	1.1
275.20239	1.5
277.19583	1.5
283.20593	1.8
287.20132	1.2
291.20746	0.8
295.20630	1.2
297.22086	1.9
299.20154	0.9
309.18854	0.8
309.22269	2.0
311.23734	2.1
313.21646	1.5
315.23224	1.4
321.22037	1.1
323.23685	2.1
325.21725	1.0
327.23123	1.2
333.17471	0.9
335.23499	1.2
336.50360	0.8
337.25296	1.3
339.23141	1.6
347.13358	1.5
349.24988	0.9
351.22986	1.0
353.24921	1.2
385.27637	0.8
417.31451	6.9
435.32617	17.2
453.33548	8.7
471.34735	3.8
473.34052	1.4
491.35190	1.8
509.36136	9.5
527.37292	100.0
528.37402	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	527.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.6
55.01857	9.8
55.05505	29.1
57.03431	13.2
59.04982	2.4
61.02922	18.8
65.03941	1.5
67.05499	34.7
68.76701	1.3
69.03425	24.8
69.07061	27.9
69.67474	7.7
70.17567	1.4
71.01339	2.8
71.04986	5.1
73.02914	11.3
79.05485	28.6
81.03412	30.2
81.07053	25.0
83.04982	7.9
83.08615	16.3
85.02415	2.2
85.02894	27.0
85.06530	1.5
87.04464	1.6
91.03938	7.7
91.05474	21.7
93.07030	20.6
95.01285	1.5
95.04961	15.2
95.08588	12.8
97.02877	28.4
97.06527	5.9
97.10155	20.3
98.20785	2.2
99.04439	7.5
99.08089	1.7
101.02361	8.6
103.03930	3.9
103.05466	1.7
105.07023	15.2
107.04269	1.5
107.04937	11.5
107.08586	18.1
109.02860	7.9
109.06521	7.3
109.10161	11.3
111.04429	4.6
111.08081	5.2
113.02328	1.3
115.03940	1.7
115.05476	1.6
117.06982	8.1
119.08570	15.6
121.06502	6.4
121.10152	6.5
123.04447	2.0
123.08079	7.5
125.09619	17.1
127.03904	11.3
128.06218	1.3
129.05464	3.7
129.06984	7.1
130.07748	1.8
131.08594	10.0
133.06476	2.9
133.10129	6.7
134.07248	1.8
135.08037	5.3
135.11697	4.9
137.05962	1.4
137.09598	4.3
141.06937	1.6
143.08562	3.7
143.10684	1.7
145.04926	3.2
145.06544	1.9
145.10085	8.7
147.08032	9.6
147.11691	5.2
149.09602	4.9
149.13261	3.6
151.07564	2.0
151.11201	2.1
153.09116	3.1
157.06483	1.5
157.10138	6.0
159.11656	4.0
161.09561	4.0
163.11153	5.5
165.09134	3.5
169.10182	1.5
169.12305	1.6
171.10266	2.4
171.11681	2.8
173.09558	1.6
173.11745	1.3
175.11192	4.2
177.12775	1.9
179.10547	1.7
183.06609	2.1
185.13187	1.6
187.11211	1.3
189.11200	13.3
193.12227	9.6
195.13768	1.5
205.12253	2.7
209.11655	1.7
211.13174	6.5
223.13257	20.3
227.12648	5.9
229.14351	1.4
235.13316	2.0
245.19048	1.8
249.14789	3.1
255.17307	1.7
261.18576	1.4
267.15814	2.3
273.18451	18.0
285.16895	2.0
291.19513	100.0
292.19836	1.6
347.22098	8.0
365.23233	29.0
366.23709	1.5
392.14264	1.4
393.22678	2.3
407.24155	2.3
429.21259	1.4
441.10092	1.7
491.26422	1.6
509.18167	1.9
509.27310	3.2
527.19653	3.1
527.28284	20.9
527.35321	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.8
53.03939	2.8
55.01863	5.2
55.05296	2.0
55.05513	23.4
56.96559	2.5
57.03427	8.1
59.45988	1.8
61.02920	19.9
61.15843	1.7
64.71674	1.9
65.03933	3.8
67.05503	44.5
69.03415	11.8
69.07062	14.5
70.06592	3.8
71.04984	6.1
71.27325	2.7
73.02905	7.6
78.49151	1.9
79.05488	38.9
81.03415	13.8
81.07050	40.0
83.04965	7.5
83.08615	9.9
84.04507	2.2
85.02899	18.5
85.06504	2.5
86.09677	2.3
87.04441	2.1
91.03935	9.4
91.05475	42.1
93.07037	35.0
95.04980	12.5
95.08607	19.2
97.02885	12.0
97.06525	6.4
97.10160	6.6
99.04448	3.8
103.05480	3.6
105.07019	35.3
105.07691	3.7
107.04943	19.8
107.08587	19.0
109.06513	13.2
109.10175	13.9
111.08096	4.6
113.09682	2.3
115.03915	2.2
115.05466	4.9
116.06201	2.3
116.98515	2.5
117.07005	24.4
119.04917	2.4
119.08568	23.8
121.06496	7.4
121.10153	9.4
123.04454	2.9
123.08059	6.0
123.11665	2.5
125.09629	4.1
127.03898	3.6
128.06227	10.3
129.07008	14.2
130.07794	3.5
131.04945	2.3
131.08568	42.3
133.06476	8.0
133.10109	15.4
135.08051	8.1
135.11679	6.2
137.09613	4.0
139.11168	3.1
141.07005	5.6
142.07793	5.1
143.08551	48.1
144.09293	2.2
145.06503	3.3
145.10129	49.4
147.08060	12.2
147.11665	8.5
149.09621	7.0
150.09135	6.2
154.07787	2.2
155.08557	6.8
157.10139	16.7
159.08049	4.3
159.11679	19.4
161.09644	13.2
163.11162	5.3
165.07036	2.8
169.10043	10.1
171.07999	2.0
171.11636	11.7
173.09634	2.8
173.11737	2.8
173.13158	2.4
175.11212	6.3
177.12769	5.1
181.10120	8.5
183.11688	8.3
185.13266	4.9
193.12213	2.3
195.11736	14.7
199.11340	2.1
199.14708	2.5
201.09029	2.2
201.12758	2.7
203.05168	2.9
209.11726	3.1
227.12677	2.0
227.17979	5.1
237.16347	18.8
241.13185	2.0
245.19069	5.0
255.17407	21.8
273.18478	56.1
283.15521	2.5
291.19510	4.2
347.17798	5.2
347.22119	100.0
349.27203	2.5
362.80643	2.3
365.23117	8.6
383.24048	2.4
491.16983	6.8
509.27368	3.1
527.32300	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	10.1
55.01854	9.6
55.05268	4.4
55.05508	44.3
56.96551	5.0
57.03415	12.1
57.03666	3.2
61.02921	34.7
65.03921	5.1
67.05164	5.5
67.05499	91.7
69.03417	17.4
69.07062	26.6
70.06561	10.4
71.04989	8.4
71.60145	7.1
73.02534	3.4
73.02901	15.9
79.05489	52.1
81.03418	25.3
81.07050	64.9
82.07383	4.5
83.04968	14.7
83.08608	20.0
84.08190	3.1
85.02898	33.8
85.06543	6.1
85.22074	3.1
86.09705	5.6
89.06012	5.5
91.03931	18.5
91.05474	84.0
93.07037	46.7
93.60498	3.4
95.04935	14.2
95.08605	40.4
97.02892	21.5
97.03416	3.9
97.06500	12.4
97.10143	14.1
99.04453	3.7
99.08033	4.2
103.05474	5.2
105.07021	64.0
107.04942	36.9
107.08579	33.1
109.02858	5.6
109.06495	18.9
109.10142	34.3
111.04427	9.3
111.08087	7.7
115.03986	3.7
115.05431	7.6
115.54646	3.4
117.06998	36.7
119.08580	42.0
121.06482	11.1
121.10126	16.7
123.08051	14.6
123.11720	3.4
125.09615	13.6
127.03879	14.7
128.06204	21.0
129.07042	29.9
130.07710	6.2
131.08566	86.0
133.06491	10.4
133.10129	26.3
135.08026	8.5
135.11685	9.1
137.09563	5.3
139.11153	4.5
141.06979	9.7
142.07735	6.3
143.08531	88.5
145.06459	8.3
145.10107	85.0
147.08057	17.5
147.11652	11.7
149.09615	11.7
149.13211	6.9
151.11182	5.1
154.07739	4.5
155.08543	14.0
155.10616	3.4
157.10089	23.7
159.07970	4.1
159.10416	4.3
159.11627	21.2
161.09598	16.9
163.11098	11.4
165.09081	4.4
166.07745	3.6
167.08510	7.6
169.10092	21.1
171.11668	20.1
173.09564	5.0
173.11765	11.4
175.11150	6.0
177.12663	6.6
181.10075	20.6
183.11658	12.7
185.09621	5.0
185.13293	9.1
189.11160	4.7
193.12260	5.8
194.66917	3.8
195.11609	23.3
209.11717	8.4
227.12691	8.0
227.17921	11.0
229.14383	5.1
237.16394	33.1
245.19081	8.4
255.17435	37.0
269.10562	3.8
272.12296	3.8
273.18439	95.8
273.21176	6.8
283.15686	4.2
299.14877	5.0
315.05005	4.8
331.08035	9.6
347.22113	100.0
365.17920	5.5
365.23355	11.1
383.24442	3.6
509.23831	5.0
527.18652	6.0
527.30957	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	527.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.1
55.05512	13.4
57.03428	8.1
57.07058	2.5
65.03928	3.4
67.05507	33.6
69.03423	3.3
69.07069	10.1
70.09940	4.7
70.10345	5.0
71.01350	7.7
71.04990	3.1
72.06937	1.9
73.02911	11.5
79.05492	40.8
81.07057	33.1
81.61042	2.1
83.04965	2.3
83.08608	6.0
85.02911	21.6
85.06556	1.9
91.05486	35.9
91.31556	1.9
93.06476	3.8
93.07043	54.8
95.01337	11.9
95.04958	3.7
95.08615	26.5
97.02853	3.8
97.06525	3.7
97.10188	2.6
99.00797	2.7
101.02390	2.5
103.03961	3.3
105.07040	36.8
107.08591	36.0
109.06515	3.4
109.10150	8.3
111.08051	2.3
113.02353	7.6
117.07023	10.1
119.07821	2.3
119.08590	33.8
121.10146	26.4
122.56848	2.0
123.08058	2.9
123.11736	2.8
126.34900	2.0
129.07016	6.4
131.03407	6.2
131.08554	20.4
133.06441	2.6
133.10132	34.7
135.11720	28.6
141.01819	21.5
142.07730	2.0
143.08565	8.3
145.10091	14.4
147.11682	36.4
149.09528	2.8
149.13268	16.9
157.10091	10.9
159.02901	3.7
159.11685	17.4
161.13260	23.5
163.11188	3.3
163.14867	6.1
171.11737	12.3
173.13286	12.1
175.14906	11.2
177.12785	3.0
185.13191	10.6
199.14824	4.8
213.16431	3.8
231.21024	6.5
241.19478	30.1
259.20584	75.0
259.23349	3.9
277.21667	10.6
301.21725	2.8
333.24197	10.4
349.23697	5.1
351.25296	100.0
371.22241	2.6
509.27789	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	527.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47557	6.2
55.01863	14.0
55.05507	25.1
57.03440	56.9
61.02927	7.9
67.05503	44.1
68.41969	7.1
69.03421	12.3
69.07069	11.9
70.06602	29.9
71.04942	5.9
71.08604	6.6
71.58878	7.1
71.79945	5.7
73.02914	6.1
75.26048	6.3
79.05504	36.7
81.03418	22.5
81.07054	35.8
83.08628	13.9
84.08143	18.2
85.02909	16.1
85.06544	10.0
86.09705	18.5
91.05489	63.0
93.07049	34.8
95.04959	17.0
95.08608	21.2
97.02899	10.1
97.06542	6.3
97.10149	6.1
98.98473	17.6
99.08106	10.1
100.39238	5.9
103.05390	6.7
104.10761	9.4
105.07033	34.1
107.04971	28.3
107.08599	19.6
109.06518	35.7
109.10147	11.3
111.08062	8.8
117.07036	34.1
118.12524	5.4
119.08593	24.2
120.08096	5.2
121.06451	10.5
121.10132	13.2
125.09627	7.5
129.07004	28.5
131.08572	27.9
133.06490	9.2
133.10103	18.5
135.08057	15.6
143.08546	14.7
145.06483	7.6
145.10156	21.1
147.08073	23.3
151.11168	6.4
155.01042	8.2
157.10141	26.5
159.08076	7.4
159.11676	16.6
161.09579	16.7
163.11220	8.8
171.11638	7.7
175.11188	12.9
183.11615	9.2
184.07452	10.5
193.12288	17.3
194.12599	14.5
199.14766	10.3
201.12871	12.4
217.13951	6.5
217.15883	28.3
237.16283	8.0
255.17480	7.0
269.17523	14.9
273.18494	45.4
276.20508	9.3
279.65497	6.0
286.22516	5.7
291.19406	9.3
294.21405	21.3
347.22153	100.0
348.12802	16.9
365.23172	21.3
368.25272	15.3
386.26270	20.4
423.19205	7.9
430.20712	17.8
527.30402	12.6
547.53094	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	527.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
66.21436	0.7
69.53138	5.0
85.02856	1.0
116.98511	0.6
119.01862	2.7
119.04909	0.9
131.01877	1.4
134.99564	0.8
137.82623	0.7
143.01869	1.4
147.04367	4.0
149.02910	0.8
155.01933	3.5
161.02914	2.0
173.02914	10.8
177.05409	1.0
185.02826	1.3
185.04213	1.7
197.06633	0.7
203.05328	7.6
215.03922	1.3
221.79210	0.7
224.04620	0.9
233.04929	0.8
237.02905	0.9
245.05040	6.4
263.06168	1.2
275.06036	2.0
305.07089	5.7
306.07288	0.7
347.08612	2.4
365.10513	100.0
366.10831	1.8
407.10254	2.1
527.15784	98.5
528.15936	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.9
55.01864	9.8
55.05294	3.2
55.05506	33.3
56.96545	5.4
57.03444	15.8
61.02935	15.0
64.35184	3.3
65.03925	5.1
67.05502	100.0
69.03421	33.8
69.07061	25.8
70.06571	5.9
71.01361	3.3
71.04977	10.3
71.57084	3.3
71.59698	2.7
73.02902	12.1
74.62415	2.8
79.05064	3.9
79.05488	44.6
81.03410	56.3
81.07055	52.1
83.04971	16.3
83.08607	13.8
84.08118	3.0
85.02906	33.6
85.06539	3.6
86.09697	3.8
91.03954	8.0
91.05471	42.3
93.07045	38.1
95.04958	21.5
95.08612	28.1
97.02888	29.1
97.06520	10.7
97.10172	23.1
99.04443	9.4
101.02350	5.5
103.03911	5.4
105.07027	29.3
107.04943	33.0
107.08604	24.9
109.02869	11.5
109.06488	8.8
109.10157	55.0
111.04433	7.7
111.08073	8.0
115.03856	5.6
115.07647	3.3
117.06998	14.0
119.04958	3.6
119.08567	25.3
121.06512	8.1
121.10139	13.9
123.08025	8.3
123.11698	4.0
125.09624	13.5
127.03900	24.8
129.06998	8.8
131.08585	15.7
133.06435	5.9
133.10147	15.3
135.08031	8.5
135.11682	6.9
137.09596	9.5
143.08519	3.7
145.04950	3.8
145.10120	12.6
147.08015	6.6
147.11697	8.4
149.09586	7.1
149.13219	3.1
151.11194	7.2
155.10756	3.6
157.10118	8.3
159.11664	5.8
161.09625	7.4
163.11166	6.7
169.10007	4.3
171.11700	5.1
173.11775	18.7
175.11171	7.3
178.41690	3.4
184.99200	3.4
185.09650	3.5
189.00475	3.0
189.11206	9.7
192.00623	3.0
193.12215	7.7
199.11253	3.2
211.13292	4.0
223.13268	11.5
227.12785	6.3
229.14418	4.1
231.09024	4.2
235.13428	3.7
241.33449	3.1
251.09616	4.7
255.17401	3.5
257.10565	9.7
269.10617	16.5
273.18436	24.8
275.11658	8.2
281.00610	3.5
283.12012	4.8
287.11765	14.6
291.19531	73.5
301.13190	26.2
319.14047	4.2
347.13205	4.5
347.22125	7.4
365.23117	28.6
383.24228	8.0
463.23492	9.0
483.20154	6.1
509.27527	6.8
527.18707	28.4
527.28381	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60413	1.8
55.05487	2.4
57.07074	62.0
57.49022	2.1
58.27334	2.0
60.04521	2.9
65.39149	2.0
67.05489	2.2
69.07066	10.6
70.06568	5.7
71.04991	22.3
71.08630	54.0
73.06555	2.3
76.10191	2.0
81.07061	2.5
83.08604	3.8
85.10184	37.5
87.04465	3.4
88.07632	54.3
89.06031	100.0
95.08595	2.7
98.21479	3.5
98.98442	2.7
99.11720	6.6
106.08669	23.5
107.07036	4.4
113.13287	7.3
117.09116	3.3
125.13216	2.3
127.14800	2.9
133.07652	4.3
133.08600	64.1
177.11226	22.1
183.21129	2.6
221.13850	4.4
235.62622	2.0
239.14818	4.8
261.38837	2.3
265.96140	2.1
271.26294	3.1
283.17578	3.7
315.29099	4.0
327.19998	14.6
341.30487	28.6
509.40387	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	526.286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08080	1.1
53.03952	1.8
55.05497	6.0
56.05021	3.3
56.96566	1.7
57.03421	4.7
60.04520	2.8
61.02649	1.2
61.02925	17.9
62.05782	2.7
62.06087	40.8
64.25175	1.3
67.05506	8.5
68.05039	1.5
69.03414	7.2
69.07054	3.7
70.06580	17.8
70.70502	2.6
70.70909	2.5
71.04981	2.7
72.04508	12.1
72.08140	3.6
73.02921	8.9
74.06083	1.5
79.05499	8.6
80.05009	2.3
81.03409	38.4
81.07055	11.7
82.06570	2.7
83.04973	3.4
83.08611	9.5
84.08121	3.0
85.02900	16.4
86.06055	2.8
86.09695	3.5
88.07603	5.0
91.03950	10.6
91.05478	6.7
93.07039	9.4
94.06583	2.9
95.04972	13.2
95.08591	5.6
97.02886	12.1
97.06512	3.5
98.06058	10.2
98.97586	3.6
100.07599	4.4
105.07021	13.2
107.04949	5.9
107.08586	4.3
109.10157	2.1
110.07194	1.4
111.08074	5.8
112.07597	2.2
114.05520	1.8
114.09209	1.5
116.07078	4.9
116.98614	2.2
118.15617	1.2
119.04946	2.0
119.08572	5.1
121.10153	4.3
122.03602	1.2
124.07570	4.7
127.03909	2.8
128.07117	1.4
129.06946	3.3
129.10204	1.9
131.08600	6.2
133.06494	23.0
133.10107	4.9
134.06821	1.7
137.05981	2.4
138.12737	2.5
145.04984	1.8
147.04407	1.8
147.08015	1.8
147.11641	6.4
148.98109	1.4
149.06161	1.3
149.09642	5.9
149.39195	1.4
157.10088	6.2
167.10640	1.5
175.11182	6.1
177.00639	1.3
182.15378	3.8
192.13866	2.6
193.12227	43.5
202.08669	3.3
208.16997	2.1
210.14864	48.2
211.13303	4.4
218.15364	1.6
224.11218	2.3
226.18016	3.4
228.15968	11.1
236.16481	3.0
249.07938	5.1
254.17494	8.7
267.09109	1.5
267.15915	24.5
284.18512	3.6
285.16937	58.9
302.19629	46.2
307.12012	2.2
309.16971	3.5
318.22833	1.4
320.20651	17.0
328.21249	5.4
346.22223	69.8
427.16473	3.2
464.24658	3.6
482.26190	2.5
508.27524	100.0
526.15839	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	526.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84221	5.7
51.05283	5.3
55.01867	13.5
55.05508	30.5
56.05045	7.6
57.03433	22.3
62.06086	54.5
67.05508	82.4
69.07064	43.4
70.06591	87.3
70.83903	15.0
71.05013	7.4
72.08154	18.9
79.05496	53.0
81.07057	98.8
83.04981	18.0
83.08619	23.3
83.90896	5.4
84.04511	8.3
84.08143	58.0
86.06087	8.8
86.09700	48.2
87.04462	15.3
91.05473	47.1
93.07050	60.7
95.04955	15.1
95.08601	36.7
96.08163	7.2
97.06537	22.7
97.10147	8.8
98.98473	46.1
104.07117	18.0
105.07024	38.2
107.04945	11.8
107.08594	45.4
109.06509	11.1
109.10163	40.1
110.07156	20.0
110.09692	10.6
117.06964	8.6
119.08579	30.1
120.08111	19.2
121.10153	20.8
124.11200	7.7
125.09624	14.0
129.06947	8.7
129.10251	32.4
131.08578	18.1
133.10147	25.6
135.08080	9.1
135.11641	14.0
145.10069	22.3
147.11679	14.6
149.09616	16.7
149.13292	14.1
155.01004	38.1
157.10109	6.9
159.11722	18.2
166.08699	9.6
169.10034	8.9
173.02081	11.3
173.13261	10.6
177.12819	19.1
184.07329	15.2
195.13898	11.6
198.05281	8.0
215.18039	9.5
216.06314	9.9
220.16916	12.7
229.14284	49.6
238.17941	9.4
255.11200	8.1
257.19110	14.6
269.17459	63.3
275.17258	9.9
275.20056	79.4
279.11685	8.4
293.21048	9.8
309.10733	16.3
309.20477	7.3
313.11868	8.6
318.24048	9.4
331.22595	11.2
334.14264	12.0
349.14069	24.1
349.23697	100.0
352.15298	35.7
353.11435	12.9
361.14099	15.2
367.24792	42.6
374.17169	29.3
385.25845	6.7
392.18210	83.2
411.19803	9.6
429.20294	49.0
447.21710	9.1
472.24329	27.4
490.25906	13.2
508.26773	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	526.2776
Annotation	Cytochalasin Ohyp
Peak:m/z	Relative Intensity
53.03947	5.5
55.01869	8.1
55.05519	30.8
55.78561	4.5
57.03434	20.5
57.10083	4.1
62.78396	4.0
63.16408	4.1
66.02487	3.5
67.05504	82.0
69.07073	40.5
70.06593	71.0
70.77995	6.7
71.04987	6.2
72.08148	15.8
74.06087	4.6
79.05492	43.0
81.03428	5.8
81.07060	100.0
81.60276	4.1
83.04984	7.7
83.08627	20.0
84.04489	7.4
84.07776	3.5
84.08151	40.0
85.05193	4.5
86.09712	33.9
91.05487	40.2
93.07052	62.1
95.04980	10.5
95.08617	36.5
97.06522	13.2
97.10142	9.0
98.98404	5.3
105.07040	29.1
107.04952	12.4
107.08102	3.2
107.08614	33.5
109.06496	4.9
109.10175	34.7
110.07152	8.0
112.08701	3.9
117.07008	11.6
119.08596	23.7
121.10146	16.4
123.11723	7.7
125.09616	6.6
129.10263	24.0
131.08562	17.1
133.10127	18.2
135.08076	4.5
135.11661	7.5
137.09554	5.0
139.11299	3.7
145.10130	10.2
147.11690	7.9
149.09625	11.0
149.13229	10.9
159.11682	14.3
163.11182	4.6
171.11739	4.6
173.11728	11.0
173.13121	5.0
178.62999	3.8
184.07317	8.5
195.13812	9.7
198.26654	4.4
205.49104	4.3
220.07591	4.4
221.42688	3.7
229.14326	34.0
238.18037	5.2
269.17505	93.4
275.20013	37.0
318.24606	4.2
331.22769	24.0
349.23743	91.4
352.15170	5.9
367.24850	58.1
385.25571	4.6
392.18378	22.9
477.14978	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	526.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01854	0.3
66.06900	0.2
69.07050	0.2
70.06584	1.5
71.30116	0.2
71.30437	0.3
72.08151	0.4
76.35941	0.2
79.05479	0.9
81.03378	0.3
84.04504	0.3
84.08133	0.4
86.09711	0.5
89.06043	0.4
95.04939	1.0
95.64884	0.2
97.06539	0.4
98.06047	0.2
107.04945	100.0
108.05298	0.7
114.09135	0.4
120.08039	0.2
129.10201	0.3
136.06178	0.5
141.38264	0.2
194.39877	0.2
213.09096	2.0
219.10179	0.4
228.15750	0.2
229.16190	0.2
287.05722	0.2
403.71457	0.2
425.57013	0.2
496.03595	0.2
526.81268	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	526.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.4
57.03417	1.6
60.54269	1.7
61.02930	1.7
67.05491	8.5
69.03411	2.5
69.07060	2.3
70.06585	17.1
71.04988	2.1
71.60250	3.4
72.08173	2.5
73.02919	3.1
79.05478	6.6
81.03414	3.1
81.05794	1.8
81.07058	5.4
82.06567	5.1
83.04972	2.1
84.04516	1.9
84.08147	6.7
85.02904	5.2
86.09714	5.3
87.04471	2.5
89.06037	4.6
91.05476	6.7
93.07036	16.4
94.06568	12.4
95.04962	4.9
95.06106	1.6
95.07316	13.3
95.08585	3.1
96.08118	25.9
97.02859	1.9
97.06535	5.5
107.04956	11.2
107.08584	2.3
108.08106	16.3
109.06518	1.8
109.08908	3.1
109.10159	3.5
110.06097	1.9
110.09669	54.5
119.08588	2.4
120.08089	33.6
121.06499	3.1
121.10222	1.9
122.06036	1.8
124.07601	2.4
131.08591	2.2
133.08633	2.1
136.06232	2.0
136.07578	6.9
138.09123	51.3
148.07593	8.1
152.07080	2.7
166.08627	81.5
167.08960	2.5
172.03894	2.4
190.04970	3.2
199.08728	3.5
211.08662	6.6
213.10246	5.0
221.10536	1.7
225.06439	3.2
225.10190	4.9
227.11794	5.1
229.09743	1.7
229.14238	3.6
239.11829	7.5
240.08994	2.5
241.09676	5.7
245.12898	15.4
252.08975	2.5
253.09717	7.6
254.10350	2.2
255.11232	16.9
267.11258	10.8
268.11966	1.9
273.12225	4.1
283.10754	12.5
285.12381	8.1
287.10257	2.5
295.10745	7.4
297.12173	2.1
299.10181	2.4
301.11823	31.1
313.11801	30.5
323.10223	7.7
325.11945	5.1
329.11230	30.7
329.14938	2.0
341.11288	12.3
343.13113	2.1
347.12418	3.3
361.13913	100.0
362.14444	2.3
373.13870	8.9
391.03668	2.1
448.18771	3.6
452.18420	2.5
466.19556	7.1
476.17874	3.7
490.26395	1.8
494.12485	3.0
494.19232	29.7
508.20694	17.5
526.21613	16.8
526.33624	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	526.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81217	0.7
67.05500	1.0
70.06581	3.8
70.75462	2.2
72.45640	0.7
73.02930	1.0
73.54434	0.8
79.05477	2.4
80.04980	1.1
81.07026	0.8
82.06561	3.2
86.09689	1.1
87.04465	0.9
89.03883	1.2
89.06030	3.5
91.05469	2.0
91.55122	0.7
93.05784	1.2
93.07031	2.3
94.06557	6.2
95.04973	1.8
95.07333	2.5
95.08543	0.7
96.08116	12.5
97.06492	2.8
98.06060	1.7
98.97579	0.9
105.05750	0.7
106.06543	2.4
107.04943	12.4
108.03789	1.4
108.04469	17.4
108.08105	11.3
109.08916	1.1
110.09667	11.6
116.04978	6.3
117.42213	0.8
118.06513	1.3
120.04476	1.4
120.08077	9.8
122.06025	10.8
123.06751	0.8
124.07576	44.8
133.08575	2.1
134.05966	1.1
136.07562	12.7
138.09131	18.9
140.07065	2.6
144.04424	10.3
146.05992	17.5
148.07581	5.9
150.05478	3.2
152.07034	7.1
160.03932	3.4
162.05472	3.3
166.08618	18.5
166.09933	1.5
168.06543	19.9
172.03922	40.5
173.04704	2.1
174.05511	11.6
177.11186	1.0
190.04973	61.0
191.05740	2.1
192.06517	1.6
204.06538	38.0
206.08101	13.7
207.09177	1.1
208.09866	1.0
216.13434	0.8
216.79184	0.7
219.10150	1.4
221.10797	1.1
223.12274	2.5
224.09442	0.9
225.10234	1.3
236.09488	2.6
239.11732	1.0
249.10303	1.2
250.11040	1.3
251.11702	3.6
252.08795	1.7
253.13319	0.9
263.08273	0.9
264.08908	2.1
267.11353	1.2
268.09589	0.9
279.11267	9.5
287.10202	2.0
295.10727	1.4
297.12274	18.9
298.10208	0.8
299.10245	3.1
307.10803	9.0
313.11765	3.7
315.13095	0.8
323.10196	9.7
325.11792	100.0
326.12320	1.1
329.11292	7.1
339.13193	1.5
341.11243	11.3
341.14926	1.1
343.12863	23.9
357.14474	2.2
359.12341	4.7
361.13919	1.1
373.13928	9.5
448.18848	2.0
450.25366	0.8
452.17880	3.6
466.20047	1.2
476.18100	9.0
480.21146	1.6
494.19177	65.2
508.20831	7.4
512.20325	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	526.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.1
65.03952	0.8
66.80093	0.9
67.05476	1.3
69.99461	2.3
69.99865	1.1
70.06573	3.9
73.26755	0.7
75.69692	0.8
79.05490	4.4
80.05032	1.7
81.07067	1.7
82.06574	5.0
84.04481	1.2
84.08125	1.7
85.02895	1.4
86.09681	2.1
88.92666	0.7
89.03879	1.6
91.05457	3.5
93.07032	5.2
94.06096	0.9
94.06564	9.5
95.04963	1.1
95.06078	1.1
95.07360	4.1
95.08569	0.9
96.07554	1.7
96.08121	19.8
97.06509	4.3
103.05434	1.2
106.06553	4.5
107.04960	4.5
107.07258	1.0
108.04466	5.0
108.08104	14.9
108.08808	0.5
110.09666	15.9
116.04974	11.6
118.06544	1.2
120.04427	2.3
120.08099	13.3
121.10164	0.8
122.06020	10.4
123.04453	1.1
124.07580	61.8
132.04471	1.0
132.08124	0.8
134.06006	1.8
136.06448	1.2
136.07562	17.1
138.09123	23.5
140.07095	1.1
143.55103	0.7
144.04439	19.4
145.02921	0.9
146.04942	1.2
146.06004	14.1
148.07574	5.9
150.05446	1.1
151.03903	2.3
152.07045	8.4
154.04999	1.0
154.08606	0.8
160.03929	7.5
162.05458	5.7
163.03886	1.0
166.08626	48.1
168.06546	4.6
172.03917	56.2
173.04517	0.8
174.05502	7.5
175.06137	0.7
178.04945	1.9
190.04973	91.1
191.05632	2.0
192.06493	1.2
196.09903	1.0
204.06543	47.6
206.08058	4.5
207.09204	1.6
208.09918	1.1
212.09381	1.6
219.10152	1.4
223.12312	2.3
224.09491	1.3
225.10149	2.6
226.10818	1.0
227.07993	1.1
227.11809	1.3
228.08823	1.1
235.08653	1.2
236.09348	4.1
237.10332	0.7
238.10956	1.1
239.11682	1.3
240.08960	2.1
241.09753	1.3
250.10860	1.5
251.11736	4.2
252.08943	1.9
253.09698	3.7
255.11320	1.1
264.08951	2.7
266.97186	0.8
267.11331	3.7
269.12857	1.1
274.38074	0.8
279.11258	10.3
280.11914	0.9
281.09302	3.7
283.10818	0.9
285.12405	1.4
287.10181	4.3
295.10681	3.1
296.11334	1.9
297.12317	22.6
299.10266	9.0
301.11945	1.5
305.09174	0.9
307.10776	5.4
311.10202	2.2
313.11728	3.3
315.13458	1.5
323.10184	10.0
325.11792	100.0
326.12195	2.1
329.11279	29.8
329.14337	1.1
341.11298	18.5
343.12839	28.6
357.14340	2.9
359.12363	1.7
361.13754	1.7
373.13855	2.1
424.18839	1.0
434.16937	1.2
448.18445	1.9
452.18201	6.5
458.16794	0.8
463.26602	1.0
466.19644	1.3
476.18140	14.3
494.19186	60.4
495.19562	1.1
508.20688	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	526.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
55.01862	1.0
55.05513	6.2
56.96557	0.9
57.03422	1.6
57.07048	1.1
61.02910	1.1
65.96901	0.7
67.05511	4.3
68.05040	1.1
69.03419	1.2
69.07053	3.3
69.23337	0.7
70.06586	6.0
71.04972	1.1
72.08128	1.5
73.02884	1.3
79.05476	6.3
80.05005	2.3
81.03411	1.5
81.05798	1.8
81.07050	4.8
82.06576	4.4
83.04967	1.8
83.08607	4.8
84.04513	1.1
84.08128	2.5
85.02866	2.5
85.06531	1.1
86.06041	0.9
86.09693	2.6
87.04455	2.6
89.06022	1.1
91.03944	1.1
91.05467	5.8
93.06474	0.7
93.07041	10.8
94.06568	9.7
95.04959	2.8
95.06087	0.7
95.06799	1.1
95.07346	11.2
95.08594	3.1
96.07550	1.2
96.08128	22.2
97.02868	1.5
97.06527	3.3
98.20715	1.8
98.97557	0.9
98.98487	0.9
99.04465	1.0
100.07613	1.1
100.11245	14.1
103.05433	2.5
104.07082	0.9
105.05744	0.8
105.07020	1.7
107.04949	10.1
107.08556	1.5
108.05317	1.3
108.08119	11.5
109.08899	2.2
109.10130	2.9
110.06013	1.3
110.09675	44.2
111.04410	3.9
119.08615	1.0
120.08098	28.4
121.02874	1.0
121.06482	2.1
121.10130	1.2
122.05988	1.3
123.06790	1.6
124.07604	1.1
127.03899	0.7
128.07050	1.5
133.10144	1.0
136.07565	3.2
138.05534	1.0
138.09126	47.5
139.08560	0.9
140.07060	2.0
146.05995	1.5
148.07542	8.1
150.05482	0.9
152.06978	1.1
155.63560	0.7
166.08632	73.7
167.08972	1.4
172.03931	2.4
175.63950	0.8
182.15427	8.1
190.05023	1.0
194.09674	0.8
199.08652	3.3
200.09375	0.8
201.10194	0.7
204.06549	3.1
206.08047	0.9
209.16489	2.7
210.14883	10.3
211.08670	5.4
212.09406	2.5
213.06537	1.9
213.10202	5.7
221.10725	1.1
224.09352	1.0
225.06554	2.0
225.10225	5.6
226.10912	1.0
227.08102	1.4
227.11714	3.8
227.17593	1.0
228.08638	1.1
228.16020	2.5
229.09665	1.8
229.14334	2.1
239.07951	1.0
239.11664	5.0
240.08887	1.4
241.09709	3.8
241.13304	1.0
242.10359	1.3
245.12878	13.4
245.18602	2.1
252.08775	0.9
253.09737	4.0
254.10501	1.3
255.11278	13.6
257.12723	1.0
267.11292	9.9
268.11874	1.5
269.09210	0.8
269.12802	0.9
269.17514	1.4
273.08524	1.3
273.12357	2.6
275.20316	0.9
283.10788	10.6
285.09488	0.9
285.12274	4.8
287.03696	1.0
287.10376	1.4
288.10626	1.2
295.10815	4.6
297.12442	1.7
299.10153	1.3
301.11826	23.5
311.10294	1.0
313.11786	24.0
323.10239	2.9
325.11746	2.2
326.27792	1.2
329.11301	18.0
337.21356	1.2
341.11279	7.3
343.12878	1.6
347.12320	2.5
349.23645	1.8
349.61578	0.7
357.14590	0.9
361.13916	100.0
362.14111	1.3
373.13922	9.8
391.03613	0.8
392.18436	1.2
420.19534	1.5
444.83224	1.1
448.18649	3.2
452.17572	1.0
453.34464	1.0
466.19794	5.3
476.17871	2.4
494.19193	15.3
508.20767	5.6
517.36371	1.8
526.22034	15.8
526.30005	1.4
526.33301	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.01861	2.3
55.05499	3.2
57.03428	1.5
61.02917	1.9
67.05508	6.1
69.03414	1.5
69.07053	4.2
69.67250	7.5
70.02959	1.4
70.06590	11.7
72.08148	1.6
73.02917	1.4
77.37904	1.3
79.05490	7.1
80.05018	2.2
81.03410	2.9
81.07063	7.0
82.06581	3.7
83.05042	1.2
83.08603	2.2
84.08126	1.9
85.02908	3.7
85.06521	3.3
86.09713	3.6
87.04477	3.6
89.06029	5.6
91.03962	1.4
91.05470	9.3
93.05820	1.4
93.07039	16.1
94.06563	13.0
95.04961	5.3
95.07334	17.5
95.08617	4.5
96.08126	33.8
97.02859	2.8
97.06528	5.3
98.06059	1.7
100.11269	3.8
103.05464	2.5
105.07053	2.3
107.04951	13.2
107.08600	1.8
108.04467	2.3
108.08119	18.2
109.08912	2.1
109.10139	4.5
110.06129	1.3
110.09675	58.3
111.04449	1.5
112.08724	1.4
118.06557	1.3
120.04446	1.7
120.08102	42.2
121.06509	2.6
121.10159	1.4
122.06020	2.3
123.04417	2.2
123.06775	2.9
124.07610	3.6
133.08583	2.7
133.10065	1.8
135.77341	1.3
136.06181	1.6
136.07558	7.8
138.09132	61.5
146.06035	2.7
148.07556	11.2
152.07072	2.2
154.08655	2.7
163.03883	1.3
166.08632	100.0
167.09061	1.8
168.06644	2.3
172.03937	3.0
173.11893	1.3
182.15361	1.6
190.04965	2.7
199.08647	6.8
200.09419	1.9
204.06514	8.0
206.08116	3.3
209.16534	1.3
210.14923	3.7
211.08650	16.9
212.09477	6.5
213.06656	3.6
213.10243	6.7
225.06581	5.8
225.10236	15.0
227.08206	3.0
227.11734	4.3
229.09772	3.8
229.14381	2.4
235.08372	1.5
237.10179	1.8
239.08083	2.1
239.11774	12.5
240.08928	5.1
241.09636	7.1
241.13448	2.0
245.12837	8.2
248.09410	1.5
249.10295	3.7
250.11055	2.0
251.11707	3.6
252.08882	3.1
253.09724	13.2
254.10573	3.8
255.07629	1.3
255.08408	1.5
255.11278	16.9
259.36209	1.2
263.11841	3.2
265.09427	1.8
267.11307	17.9
268.12091	3.1
269.12820	1.8
269.17450	3.0
273.08640	1.7
273.12375	2.8
277.85303	1.5
279.11298	3.5
280.08371	1.3
281.09329	1.5
282.10071	1.7
283.10748	17.2
284.74738	1.3
285.12354	12.8
285.36246	1.4
287.03745	3.9
287.10294	2.6
288.04099	1.8
288.10635	1.8
289.05362	4.8
290.05609	1.7
291.11038	1.5
295.10779	15.6
296.11539	4.5
297.12262	2.8
299.10278	4.1
301.11823	24.5
309.12292	5.5
311.10312	3.0
311.13861	3.8
313.11810	52.8
323.06726	2.4
323.10132	10.1
325.11703	6.1
329.11301	41.2
337.11801	1.9
339.13290	2.4
341.11337	22.9
343.12701	4.2
349.23727	2.3
355.12781	2.2
357.14560	1.5
361.13922	91.4
369.14441	18.3
371.15967	1.8
373.13840	12.4
448.18710	2.9
452.18176	3.3
466.19965	7.1
476.18292	9.1
482.24402	4.2
494.19244	74.9
508.20813	17.1
525.77936	2.0
526.22638	30.8
526.30304	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.1
56.96570	0.7
57.03443	0.7
60.08156	0.8
67.05499	1.9
68.40669	0.5
69.07069	0.6
70.06605	2.5
71.01341	0.6
71.59211	0.8
72.08151	1.0
73.02919	0.8
79.05492	1.5
81.07072	1.1
83.08656	0.6
84.08139	0.7
85.02898	1.4
86.09707	2.4
91.05485	1.5
93.07034	1.0
95.08623	0.8
97.10231	0.5
98.98446	0.7
104.10751	2.0
105.07027	1.0
105.11131	0.6
107.04975	1.6
117.07022	1.3
117.59909	0.5
119.08595	1.0
120.08084	0.5
124.99982	1.2
129.06995	0.5
131.08514	0.8
133.10143	0.6
135.51089	0.5
145.10123	1.7
147.11711	0.6
159.11667	1.0
171.11697	0.6
184.07350	4.4
185.07686	1.2
194.26340	0.5
201.03732	0.8
203.05365	1.2
203.14319	0.5
213.82098	0.7
257.19113	1.5
311.71140	0.5
345.23993	10.0
347.25540	19.8
347.29715	1.0
349.23761	1.5
363.25287	0.6
525.30359	100.0
526.30560	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	525.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
55.05505	1.6
56.96562	5.7
57.03429	1.1
61.02917	1.3
67.05495	3.6
67.77087	0.6
69.03426	0.9
69.07053	2.0
70.06590	1.3
71.04983	0.9
71.60017	0.5
71.60374	0.6
73.02916	1.0
79.05495	2.7
81.03426	1.2
81.07063	3.6
83.06081	0.8
83.08589	1.1
84.96025	2.0
85.02889	2.0
89.06020	1.2
91.03921	0.9
91.05470	2.2
93.03122	0.6
93.07023	2.8
95.04954	1.5
95.08600	1.3
97.02882	1.3
97.10146	0.6
98.97578	8.9
103.41661	0.5
105.07011	2.8
107.04948	6.5
107.08562	1.4
108.08137	0.7
109.10154	1.4
112.99122	0.7
116.98602	8.2
117.06984	0.9
117.30949	0.5
119.08604	1.2
120.08105	1.7
121.06480	0.8
121.10151	0.9
125.09674	0.6
127.03874	0.7
128.98579	1.7
131.00156	2.1
131.08571	1.0
133.10127	1.2
134.99661	5.8
145.10155	0.9
146.06096	0.8
146.99675	1.5
149.01213	2.3
158.01239	1.0
158.99623	1.0
161.01176	0.8
173.01250	0.6
177.00722	3.9
189.00699	0.6
191.02290	1.3
195.11681	2.2
196.12064	2.3
201.00771	1.1
203.05281	2.9
219.01726	1.7
237.02840	2.4
259.15634	0.6
267.09152	0.6
267.15970	0.6
277.14709	1.3
289.05115	1.7
289.18036	1.2
295.15726	1.2
319.15793	11.6
321.17145	0.8
337.16843	2.8
345.23856	4.6
361.16742	2.6
363.25250	1.4
421.18964	0.8
437.25046	2.5
439.19714	6.3
481.21484	2.3
507.29108	0.9
516.67731	0.5
525.22150	5.2
525.30304	100.0
526.23480	0.9
526.30847	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	525.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
54.61709	1.0
55.05500	2.1
56.05034	1.2
57.07057	1.0
59.04999	1.2
61.02936	1.7
61.99189	1.0
67.05492	2.1
69.03418	1.4
69.07050	2.2
70.06586	5.9
71.04974	3.2
72.08118	1.4
73.02910	1.8
79.05490	3.9
81.03403	2.3
81.07044	3.5
84.04507	1.5
85.02894	3.9
85.06531	3.7
86.09726	2.6
86.22771	1.0
87.04443	1.0
89.06008	1.6
91.05476	2.5
93.07046	5.2
95.04966	2.9
95.06100	1.7
95.08592	2.2
97.02866	2.4
97.06543	1.3
100.05663	1.2
105.03407	4.1
105.07042	2.1
106.03677	1.4
107.04945	28.7
107.08601	3.5
108.05300	5.1
109.10172	1.7
117.05587	1.1
117.07020	1.0
119.01928	5.5
119.08540	1.1
121.06548	1.5
121.10188	1.1
125.81455	1.2
127.03831	1.2
131.08545	1.0
135.11613	1.5
143.01889	1.7
145.10156	1.0
146.97452	1.5
154.25763	1.4
157.03511	3.3
161.02965	4.1
163.11249	1.4
166.08673	1.4
175.04510	2.4
187.00972	1.3
203.03767	1.7
203.05447	2.6
210.26192	1.1
215.04117	1.1
226.94302	1.2
245.06361	6.9
259.16675	9.2
261.18015	1.5
267.08658	1.2
268.09088	1.1
271.04361	1.4
277.17740	1.8
287.03809	5.7
289.05280	100.0
347.25732	3.2
419.22617	2.0
463.00186	1.2
481.24106	15.2
501.80414	1.1
507.21899	3.8
507.28781	2.2
525.23059	83.5
525.30377	13.9
526.23096	2.1
537.91107	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86078	0.8
56.96562	9.9
68.65798	0.8
69.07047	1.0
70.07591	4.9
71.04981	0.9
71.95264	0.9
75.68996	0.8
81.07051	2.6
84.96021	6.0
85.25278	0.8
93.07036	1.2
95.04965	1.3
95.08590	1.8
98.21503	0.9
98.97581	100.0
102.97082	0.9
105.06982	1.1
106.45573	0.9
107.05030	0.8
109.10175	0.9
110.97609	1.2
112.99126	10.1
116.98618	61.2
117.11704	0.9
121.06494	0.8
131.00159	23.1
134.99657	24.4
140.00201	3.9
144.98090	4.5
145.10146	0.9
145.89053	0.8
146.99614	1.2
149.01224	16.8
150.59900	1.0
153.00737	1.9
154.01831	1.3
158.01292	1.3
158.99652	35.2
160.97540	1.0
162.99161	4.8
167.02258	1.8
169.01730	4.2
172.02837	1.2
173.01221	24.0
177.00711	49.4
184.50394	1.1
187.02783	21.0
189.00705	2.3
191.02260	30.1
195.01785	4.0
197.01163	2.3
200.02312	4.0
201.00688	11.4
202.98637	1.4
205.03827	8.1
209.03297	1.4
210.04367	1.4
211.02728	2.5
214.03918	2.7
215.02252	1.8
219.01761	28.5
228.05461	0.9
229.03827	14.8
233.03337	10.2
240.04039	1.0
242.03378	1.6
243.05399	7.7
244.99649	5.2
247.04904	1.7
249.11586	1.0
261.02814	6.2
263.00790	1.5
271.04965	1.8
289.05380	1.3
303.01028	1.8
305.02652	13.7
319.15787	15.3
361.16901	2.6
410.15781	0.9
439.19766	2.5
457.21011	5.9
481.21710	1.3
525.21033	21.7
525.28998	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79695	0.8
55.01868	2.2
55.05504	1.3
56.05024	1.9
57.03439	4.9
60.04528	2.9
68.05041	1.5
69.03413	2.6
69.07056	1.5
70.06590	26.5
71.06938	1.1
71.57834	1.2
72.08150	8.7
73.02918	2.2
74.06064	2.4
83.06090	1.3
84.04489	5.3
84.08132	13.5
85.02901	3.5
86.06036	1.3
86.09704	21.3
87.05594	1.3
87.10027	1.3
88.03980	1.4
95.06053	1.3
101.07109	1.3
101.10734	0.9
103.05488	1.5
104.10748	1.3
105.07070	1.0
107.04944	4.9
110.07153	13.1
112.08738	1.0
115.03906	2.1
115.05017	1.3
115.08671	1.4
116.07066	1.6
119.04948	0.9
120.08073	5.6
122.07142	1.9
127.05051	1.3
129.10240	6.5
130.04944	2.0
133.04965	2.0
136.07597	2.3
141.10181	1.2
143.11804	1.6
149.04584	1.1
156.07677	2.2
169.13408	1.2
184.07359	4.4
186.54741	0.9
201.06500	1.8
203.08066	1.5
204.08763	7.8
215.08110	2.0
216.08800	100.0
217.09334	2.4
218.10370	2.2
225.06474	11.3
226.07158	2.9
227.08110	0.9
228.08664	1.2
229.09558	1.3
230.10362	10.6
240.08791	61.5
241.09396	2.6
246.09834	4.7
258.09918	2.5
268.08286	7.1
272.11349	6.4
275.00793	0.8
283.09332	1.2
300.10895	54.2
301.11371	1.1
303.75275	1.0
315.11957	1.0
333.13098	3.1
343.11505	2.6
361.12555	12.1
375.14044	8.4
393.15152	54.4
394.15076	1.1
431.05859	1.0
525.26587	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87628	1.1
57.03429	1.8
69.03407	3.5
70.15327	2.7
70.15725	4.9
73.02928	2.6
85.02905	9.0
94.92995	3.6
96.92834	1.6
97.02888	3.2
111.92406	1.3
112.89592	2.7
120.60440	1.3
127.03862	3.7
132.02090	1.5
143.01888	3.0
145.03452	1.4
145.04932	3.8
161.02963	3.2
164.93584	1.6
172.60670	1.3
173.02962	3.4
176.01112	1.7
182.94560	100.0
183.05042	2.8
185.03087	1.6
192.05621	1.6
200.94719	1.8
201.00763	1.5
203.04008	2.7
208.97267	1.8
218.95787	1.8
225.50270	1.3
242.95805	12.8
243.08438	1.6
245.05064	5.7
248.89896	1.3
254.95946	1.7
260.96844	1.5
263.06183	2.3
264.07599	3.0
270.84741	1.4
272.06412	1.7
272.56888	1.8
272.96835	2.8
273.08069	4.4
273.58270	1.9
275.06226	2.5
302.98123	2.0
315.03207	1.5
345.06418	1.5
363.06641	1.8
381.07690	8.1
525.12299	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	524.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	8.4
57.03417	7.6
67.05504	100.0
69.07067	6.8
70.02148	26.1
79.05483	14.7
81.07050	32.0
83.08611	8.5
87.04513	4.7
91.05490	8.8
93.07039	24.5
95.08606	22.3
105.07054	6.6
107.08638	8.8
109.10165	70.5
117.61371	4.6
119.08577	8.4
121.10114	10.2
131.08586	8.4
135.11670	6.3
155.10606	8.9
173.11732	17.9
174.34396	4.7
195.48137	4.5
229.14337	75.8
261.22122	12.0
308.61267	5.2
318.10785	5.0
335.25787	65.5
360.18155	5.9
489.35681	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11001	4.6
52.95023	3.8
53.03944	5.0
53.63089	5.0
55.05499	21.6
56.96559	7.7
57.03425	10.5
57.07089	4.4
57.86918	3.7
60.49126	3.9
67.05499	42.8
69.03413	17.9
69.07065	34.4
69.45467	31.7
69.45892	8.2
70.04073	16.4
70.06601	25.4
72.08164	7.2
73.02906	12.9
76.88373	4.5
79.05496	30.6
81.03417	14.2
81.07058	44.2
83.04984	9.2
83.08611	12.5
84.08120	7.5
85.02898	31.6
86.06047	6.5
86.09688	17.8
87.04487	6.4
87.62162	3.7
87.64107	3.7
91.03925	8.8
91.05501	32.9
93.07034	32.2
93.77439	4.2
95.04949	17.8
95.08615	25.4
95.84431	3.9
97.02871	36.1
97.06524	11.4
97.10169	8.7
98.03662	11.8
100.11237	5.6
104.15254	3.8
105.07029	23.2
107.04956	100.0
107.08588	24.0
109.06522	5.2
109.10172	19.8
110.09680	8.6
113.06036	5.5
115.05470	5.8
117.07016	10.2
119.08578	17.8
119.54039	4.4
120.08109	7.6
120.32688	3.6
121.06511	8.8
121.10123	13.2
123.08084	5.9
125.00016	8.3
125.09665	7.2
127.03924	10.2
129.10242	5.2
129.31880	4.4
131.08537	10.4
133.06491	5.8
133.10165	14.5
135.07980	4.4
135.11717	6.9
136.07561	6.1
137.09596	5.7
138.09056	6.7
145.04953	8.5
145.10120	9.3
147.11729	8.2
149.09589	17.6
159.11661	9.3
161.13271	6.6
163.11206	9.6
166.08643	7.8
173.13213	5.0
179.14330	5.6
184.07327	21.1
189.12433	5.4
195.13730	11.6
207.77171	4.9
213.14919	7.2
223.13229	5.3
257.18997	8.3
275.20056	57.8
289.05292	10.1
293.21030	18.9
299.09613	4.5
414.46307	4.6
524.20148	22.2
524.29187	45.2
525.22504	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05800	0.5
51.33453	0.6
52.85798	0.6
54.66765	0.5
56.05021	2.1
57.07068	2.9
58.06596	1.5
60.08165	20.0
61.46007	0.5
69.84888	2.8
71.07378	7.2
71.08622	1.7
76.10049	0.6
81.07069	1.2
85.10210	1.1
86.09706	54.7
93.43022	0.7
95.08618	0.7
98.98453	3.5
104.10744	100.0
125.00005	30.1
163.01538	1.0
184.07341	97.5
207.46431	0.7
233.35394	0.6
258.11121	1.2
301.46548	0.6
301.59299	0.6
330.87457	0.6
341.30383	0.9
506.36111	8.4
524.37164	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	524.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15502	0.6
53.16505	0.7
57.07072	23.2
61.75713	0.7
67.05497	2.0
69.03411	0.9
69.07053	1.5
70.04084	3.4
71.33391	0.9
71.33755	0.9
74.16644	0.7
79.05473	1.0
81.07045	2.9
83.04932	0.7
83.08624	1.2
91.05466	1.7
93.07032	2.8
94.60870	0.8
95.04973	0.9
95.08603	4.2
105.07014	2.9
107.08595	5.2
109.06487	1.4
111.08063	0.8
119.08549	3.7
121.06511	10.4
121.10148	3.6
123.08064	9.4
123.11688	1.8
133.10191	1.6
135.11658	1.0
137.09615	1.8
137.13249	6.1
139.07512	0.9
140.08597	0.8
147.11681	4.5
149.09630	2.5
151.07518	4.9
151.11201	1.5
152.69522	0.7
156.09389	1.3
159.11659	0.8
161.13249	2.5
163.11198	1.4
165.12729	16.0
179.14291	2.9
189.12743	4.1
203.14264	1.1
207.13792	49.2
316.07486	0.8
341.18759	100.0
342.19019	2.2
410.22079	13.4
524.39758	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.0
57.07072	26.2
63.33289	0.9
64.18732	0.8
67.05499	2.5
69.07051	2.9
70.04067	3.7
71.59909	1.5
75.44151	1.0
79.05463	1.2
81.07039	2.7
83.08589	1.0
85.06556	0.9
91.05476	1.8
93.07034	3.2
95.08604	4.9
105.07026	3.6
107.08582	3.7
109.06486	0.9
109.10122	1.7
119.08562	4.5
121.05737	1.1
121.06487	7.7
121.10130	3.8
123.08058	8.4
123.11682	2.1
133.10153	1.3
135.11697	1.6
137.09596	1.3
137.13213	5.9
145.10054	1.1
147.11662	4.9
149.09592	2.5
149.67432	1.0
151.07524	5.2
151.11232	1.3
161.13281	2.6
165.12762	14.9
171.11703	1.0
172.68488	0.9
174.10378	1.4
179.14229	4.2
189.12779	5.2
202.13475	2.1
207.13776	51.7
267.74588	0.9
285.12344	1.6
323.17801	1.6
325.12756	0.8
341.18741	100.0
342.19135	1.1
410.21936	14.8
524.40845	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.0
57.07072	23.9
58.07391	0.8
66.31799	0.8
66.35414	0.7
67.05491	2.2
69.07050	2.2
70.04059	2.4
70.10335	4.1
71.08586	0.9
78.48370	0.8
79.05498	1.2
81.07038	3.1
83.08600	0.9
91.05466	1.7
93.07039	2.1
95.08595	4.6
105.07009	3.1
107.08566	3.4
109.06519	2.1
109.10155	1.4
111.08069	1.0
119.08559	2.9
121.06494	8.8
121.10120	3.1
123.08071	7.9
123.11669	2.1
133.10121	1.0
135.11627	1.5
137.09576	2.1
137.13255	6.0
147.11681	4.6
149.09607	2.2
151.07533	5.3
159.11710	0.9
161.13210	3.0
165.12738	14.2
174.10393	1.2
179.14307	3.8
189.12732	5.2
202.13536	1.0
207.13780	51.6
208.14149	1.0
285.12506	0.9
323.17673	1.1
341.18756	100.0
342.19131	1.9
410.21991	16.1
441.42017	0.9
524.28864	1.4
524.40540	2.1
539.89789	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.7
55.05504	21.4
55.64565	3.3
56.05032	5.3
57.03434	13.8
59.81457	3.2
60.04513	7.8
60.08167	6.0
62.06088	8.7
67.05510	39.2
69.03412	4.6
69.07066	11.8
70.06589	89.5
71.04989	6.0
71.06908	6.1
71.58407	3.7
72.08163	23.9
74.06089	4.4
79.05491	25.1
81.03415	7.6
81.07055	33.3
83.04985	4.0
83.08614	7.3
84.04501	15.9
84.08133	35.7
86.09698	71.1
91.05488	19.8
93.07054	31.0
95.04950	9.3
95.08595	38.9
97.06525	3.7
97.10184	4.3
98.06070	4.5
98.98474	15.6
99.08092	5.7
102.05589	4.9
104.05295	3.9
104.10752	14.3
105.07037	15.2
106.06550	36.6
107.04939	20.8
107.08598	24.5
109.06524	12.3
109.10165	19.4
110.07167	12.8
110.09679	4.3
110.23524	5.2
112.08698	4.1
115.07575	3.5
115.08686	5.0
116.07088	3.8
117.07018	10.1
118.06597	4.1
119.04861	4.0
119.08603	21.5
120.08096	25.6
121.06514	4.8
121.10139	17.8
123.08069	14.7
124.99984	10.6
129.10242	22.1
131.08575	11.3
133.06520	5.5
133.10153	10.4
135.08020	7.4
135.11697	11.2
136.07576	12.1
137.09616	7.3
145.10124	13.8
147.07945	4.5
147.11685	7.0
149.09625	7.9
153.09161	4.1
157.10092	5.2
159.11685	8.7
161.09619	9.8
163.11176	9.9
175.11188	4.8
183.11562	4.5
184.07361	51.4
219.17455	5.9
237.16592	4.2
245.19144	3.8
247.71970	3.4
255.17444	3.7
272.12903	4.6
273.18457	34.0
291.19540	19.2
294.11316	3.5
321.20490	5.6
334.23721	6.2
347.22229	20.7
359.12424	3.8
365.23209	100.0
383.24304	24.1
427.18787	13.4
445.19675	10.3
464.05850	4.4
470.22983	6.5
488.23975	25.8
506.24966	10.5
524.25641	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	524.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.3
55.05500	4.3
57.03418	1.9
57.07079	1.8
60.08155	2.2
62.06076	6.4
67.05492	5.5
69.07059	5.6
70.06595	3.7
70.61636	1.5
71.59261	2.8
71.59612	1.9
78.91866	1.5
79.05473	5.4
79.41161	1.3
81.07061	22.1
83.04947	1.8
86.09702	2.7
91.05490	2.3
93.07053	5.0
95.08587	6.2
98.98478	2.0
105.07015	4.2
107.04942	3.5
107.08600	3.9
109.06560	7.5
109.10160	3.3
110.84708	1.6
111.04449	16.2
114.93456	1.3
119.08557	4.9
121.10122	3.8
123.08060	1.8
125.05973	3.2
127.03275	5.5
131.08525	2.2
133.10146	4.0
133.92911	1.4
135.08043	3.6
135.11685	3.5
136.06142	1.9
137.05977	100.0
137.13217	2.4
143.08537	1.9
145.04326	3.8
145.10075	1.5
147.11624	5.0
149.09615	3.2
150.12907	1.5
151.07547	3.1
153.12503	1.6
157.10126	3.0
161.09616	6.9
163.11195	1.9
165.09151	2.4
175.11156	4.3
175.14835	1.6
179.10715	2.7
184.07285	2.0
193.12222	2.0
203.18010	8.2
213.16362	2.7
214.12674	1.5
216.06337	2.3
221.19025	2.0
231.17285	9.2
249.18413	9.3
277.17990	52.7
295.19012	23.3
320.22128	5.8
351.21686	47.8
383.24133	9.3
413.55014	1.6
431.18237	36.4
474.22339	10.9
480.32581	11.7
492.23511	9.3
524.26556	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	524.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	7.0
55.05507	5.2
57.03434	6.2
60.35691	1.0
62.06069	1.6
67.05515	10.3
69.03430	1.7
69.07067	13.1
70.06581	2.5
70.77803	1.0
71.04976	1.2
71.59113	1.7
72.08153	1.5
75.08044	1.0
79.05495	9.9
81.03412	3.3
81.06585	1.6
81.07059	33.0
82.41104	0.9
83.04976	5.9
83.08600	4.0
84.08139	1.5
86.09714	1.8
91.05482	6.0
93.07047	9.2
95.04954	2.9
95.08595	9.7
97.06524	3.4
98.98454	1.7
99.08093	1.3
104.10725	1.3
105.07053	7.2
107.04934	4.2
107.08610	7.2
109.06523	11.5
109.10136	7.1
111.04436	18.0
111.05193	1.3
111.08067	2.3
116.04704	2.4
117.06981	2.1
119.08582	6.7
121.06429	1.2
121.10181	6.0
123.08061	3.1
123.11667	1.6
125.06022	6.2
125.09607	1.3
125.78992	1.1
129.05493	6.5
131.08524	3.5
133.10103	6.0
135.08075	2.5
135.11679	6.3
137.05978	100.0
137.09586	2.1
143.07022	2.6
143.08565	1.7
145.10132	3.9
147.08101	2.0
147.11668	7.4
149.09598	4.7
149.13258	2.9
151.07515	2.6
151.11163	2.5
157.08594	3.2
157.10106	3.2
159.11703	1.5
161.09613	4.6
161.13275	3.2
163.11136	5.4
165.09164	2.5
167.10597	1.6
171.11713	1.6
173.11723	1.3
175.11206	4.5
177.12796	1.2
180.13811	1.8
181.12244	1.9
184.07387	1.3
189.12662	1.5
193.12201	2.2
203.17995	7.5
213.16467	2.2
221.18913	2.4
229.14313	3.7
231.17487	7.9
249.18527	5.6
259.15500	3.1
267.15912	2.5
275.19971	3.0
277.17987	52.4
295.19077	23.9
308.82898	1.0
320.22235	2.5
349.23669	7.5
351.21658	53.9
383.24274	52.4
472.24554	1.9
492.23495	1.4
524.25934	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34702	0.5
53.03939	1.8
55.01849	0.7
55.05499	1.3
56.05008	0.7
56.96560	0.5
57.03425	0.5
57.07100	0.5
61.02905	0.7
67.00873	0.6
67.05488	1.5
69.03430	3.0
69.07063	1.0
69.51769	1.3
69.52158	4.0
70.06572	2.9
71.04984	0.7
72.93769	0.7
76.25480	0.6
79.05473	3.8
81.03423	4.3
81.07043	2.2
83.08646	0.7
84.08145	0.7
85.02905	3.8
86.09698	1.5
87.04482	0.7
91.05461	1.6
93.07037	2.0
94.06559	0.7
95.04961	4.1
95.08601	1.2
97.02882	5.7
99.04493	0.7
105.03388	33.4
105.07012	0.6
107.04952	100.0
107.08598	1.0
107.64072	0.5
108.05277	1.7
108.08115	0.7
109.02873	2.2
110.07138	0.9
110.09677	1.1
119.08557	0.8
120.08131	1.1
121.02876	1.0
121.06506	0.6
121.10174	0.7
123.04441	4.6
124.07587	0.6
125.02390	0.6
125.72319	0.6
127.03891	3.8
138.09143	1.0
145.04999	2.9
159.11703	0.7
166.08641	2.0
168.13809	1.2
190.13249	0.7
200.10791	0.7
215.07111	1.5
231.06580	1.0
249.07651	5.2
267.08621	13.5
283.06326	0.8
289.05197	2.5
299.05368	0.7
325.12070	0.7
380.19061	0.9
495.90814	0.7
506.19540	0.7
524.31482	3.5
525.23218	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	523.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.7
54.49200	1.8
55.01875	2.6
55.05503	10.0
57.03430	10.7
57.07071	26.6
59.93369	2.1
67.05500	21.1
67.79713	2.0
69.07057	18.3
71.08627	18.5
79.05495	16.1
81.03410	33.3
81.07056	24.0
83.04980	4.5
83.08625	16.4
85.02912	2.0
85.06519	2.2
85.10163	7.2
86.09741	2.7
87.04507	2.9
89.06033	17.9
91.05479	18.9
93.07029	12.7
95.04966	16.9
95.08601	20.9
97.10168	3.4
103.05456	3.3
104.10752	5.8
105.07025	100.0
107.04945	3.2
107.08589	7.2
109.10155	9.2
109.44733	2.0
115.07581	2.2
118.16396	2.3
119.08583	5.9
121.06488	15.4
121.10138	5.8
123.11732	3.3
125.09671	2.6
129.07030	4.5
131.06960	2.2
131.08582	5.0
133.08612	8.2
133.10162	5.3
135.11732	4.3
143.00684	2.4
147.08031	3.5
147.11670	4.2
149.09610	3.2
157.10129	4.8
163.11263	2.8
165.09085	5.6
173.11823	2.7
175.11174	4.6
179.14290	4.9
184.07402	7.6
193.12254	24.6
209.11639	3.4
211.13347	4.9
211.30157	2.2
225.12842	2.7
229.14317	2.8
229.54536	2.3
239.23656	3.2
249.14807	2.5
257.24811	2.5
267.15927	33.2
277.21619	3.6
313.27371	29.2
315.17865	13.3
376.80963	2.2
505.39401	19.6
523.40234	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	523.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.6
55.01860	6.7
55.05505	84.3
57.03435	17.3
57.07071	15.0
59.04983	4.2
64.70152	2.9
67.05495	97.9
67.58952	2.4
69.03417	7.9
69.07059	34.0
70.04072	3.4
71.08613	5.1
72.08116	2.9
79.05482	58.3
81.03422	5.0
81.07049	91.4
83.04954	8.7
83.08614	45.6
87.04445	3.1
88.17563	2.8
88.89690	2.7
89.06001	7.9
91.05464	25.5
93.07032	63.0
94.34077	2.6
94.50630	3.3
95.04951	11.0
95.08593	63.3
97.06535	5.5
97.10157	93.9
105.07009	33.7
107.04913	4.6
107.08582	58.1
109.06522	5.0
109.10140	38.3
111.08084	5.5
117.07000	12.0
119.08559	13.6
121.06499	4.2
121.10133	22.5
123.11690	15.0
124.56494	2.9
125.08746	4.5
125.09621	77.2
129.06985	2.9
129.14087	2.9
131.08559	18.8
133.08603	3.9
133.10117	15.3
133.31721	3.6
135.08055	10.3
135.11668	20.9
136.93143	3.3
137.13232	4.7
143.10643	4.2
145.10080	9.0
147.11662	8.6
149.13210	11.5
153.09055	8.2
154.94197	14.1
158.97646	2.9
159.11685	8.7
161.13216	10.0
163.14787	9.5
171.10139	6.8
172.95216	51.8
173.13246	10.0
177.16406	3.0
187.14847	3.5
189.11197	76.9
190.96289	36.3
193.12210	3.8
195.96715	6.7
210.96814	5.8
227.12744	76.6
227.14893	4.6
228.97809	21.0
233.22713	3.8
243.21051	14.7
245.13828	100.0
246.98865	9.3
261.22116	67.8
267.15799	4.3
279.23068	6.0
313.27148	6.5
317.24689	10.9
335.25754	63.1
353.26947	5.0
413.30826	4.6
431.31488	5.6
449.19730	13.4
467.20596	9.2
487.33902	9.4
505.35049	27.5
522.88281	2.9
523.23468	37.5
523.36304	10.5
524.23322	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	523.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.5
53.03934	1.5
54.99100	0.3
55.05485	0.3
57.03431	0.3
57.07064	0.6
59.04982	0.4
67.05502	0.6
69.07051	0.9
73.06567	0.4
75.06032	0.4
77.03930	0.5
79.05485	5.3
86.09694	0.8
87.04469	2.7
89.06023	22.1
91.05471	4.6
91.07597	0.4
93.07043	4.0
95.04971	3.4
103.05452	5.9
104.10703	0.9
105.07021	100.0
106.07340	0.7
107.04958	0.7
107.07078	0.7
108.28715	0.3
117.06956	0.6
119.04919	1.1
119.08515	1.6
121.06495	20.0
125.82183	0.3
129.06992	0.9
131.07040	0.7
131.08574	1.8
133.08592	14.9
147.08041	7.4
149.09625	1.3
154.94179	0.8
158.97548	0.4
160.97423	0.3
165.09102	8.7
172.95181	2.0
177.11208	2.7
183.08028	0.3
184.07332	1.3
185.07706	0.4
190.96284	1.1
191.10632	0.3
193.12355	0.3
199.54561	0.3
209.11723	3.2
209.13362	1.0
221.13763	0.6
223.11136	0.9
225.12730	2.6
227.12807	1.7
228.97839	0.8
246.98929	0.3
251.14253	0.5
269.15469	1.9
271.15445	1.0
301.09119	0.4
315.17990	16.3
346.54443	0.3
419.24008	0.8
467.20880	0.4
484.55994	0.4
523.23218	1.0
523.35315	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.7
53.03938	0.9
55.01841	0.2
55.05493	0.4
56.57132	0.2
56.96546	0.3
57.07064	0.5
59.04995	0.3
63.01806	0.3
67.05509	0.8
69.07056	0.4
69.82294	1.6
71.08622	0.5
73.06566	0.4
77.03933	0.7
79.05481	5.0
81.07025	0.4
87.04451	2.6
89.06025	22.3
91.04958	0.4
91.05475	3.9
93.07034	4.0
93.29328	0.2
94.07359	0.3
95.04968	3.1
95.08604	0.4
102.92591	0.3
103.05460	5.1
105.07022	100.0
106.07340	0.7
107.04985	0.6
107.07067	1.2
107.08575	0.3
109.10164	0.4
115.18150	0.3
119.04947	0.9
119.08574	1.5
121.06496	22.1
121.10108	0.4
128.06235	0.4
129.06993	1.2
130.08600	0.4
131.07030	0.7
131.08556	1.9
133.08594	14.4
135.08032	0.4
139.07480	0.3
145.06502	0.3
147.08041	9.3
147.09213	0.4
149.09590	1.9
154.94116	1.7
160.97223	0.3
163.11208	0.4
165.09102	8.1
172.95233	4.4
175.09689	0.5
177.11229	2.6
179.08463	0.3
181.10136	0.4
190.96278	3.0
209.11620	3.0
209.13327	0.7
210.97121	0.4
215.47272	0.3
221.13591	0.4
223.11160	0.5
225.12741	3.1
227.12833	1.6
228.97865	1.8
246.98953	0.8
249.12677	0.4
251.14355	0.5
269.15372	1.7
271.15387	0.8
303.01450	0.3
315.17996	14.7
333.09921	0.3
419.24213	1.4
449.19601	0.7
467.20563	1.2
523.22992	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.2
52.54119	0.2
53.03933	0.8
55.01870	0.3
59.72337	0.2
70.06602	0.2
70.58057	0.5
70.58456	0.5
77.03935	0.5
77.20265	0.2
79.05495	1.5
79.24195	0.2
84.08158	0.2
91.05459	0.3
95.04968	1.8
98.20863	0.2
105.04489	0.2
107.04950	100.0
108.05278	0.7
108.94508	0.2
118.06536	2.8
130.06523	28.7
131.06819	0.2
132.08121	1.1
138.68306	0.2
142.06496	0.5
143.07274	0.5
144.04440	0.3
144.08069	5.0
146.06003	20.2
147.06322	0.3
150.30283	0.2
154.06509	0.8
156.71642	0.2
158.06026	1.0
159.09183	0.8
160.07611	0.3
170.06017	1.7
188.07059	43.1
189.07379	0.8
200.07037	1.4
205.09735	2.0
206.09604	2.2
216.08119	0.3
220.07603	0.4
222.09273	0.3
224.10762	0.7
233.08310	0.3
234.09134	8.0
235.09793	0.5
236.10716	2.4
238.12276	0.2
248.10765	1.9
250.12350	0.5
252.10179	0.4
252.95631	0.2
265.13260	0.4
269.33289	0.2
294.11237	40.0
295.11594	0.5
311.13882	24.0
312.14310	0.5
342.14862	0.4
354.15097	0.2
400.15433	25.7
401.15692	0.6
417.18085	9.2
418.18338	0.4
440.74997	0.2
506.19366	0.4
523.21979	0.2
548.96777	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
67.05488	0.3
70.06587	0.4
77.52150	0.2
79.05496	1.6
81.03410	0.4
85.02882	0.3
95.04984	2.2
100.74650	0.2
107.04951	100.0
108.05283	0.8
117.07101	0.3
118.06532	2.8
130.06526	29.6
132.08090	0.9
143.07303	0.5
144.08092	4.4
146.06007	19.4
154.06523	1.0
156.08086	0.4
158.05986	1.1
159.09174	0.8
160.07555	0.5
170.06058	1.4
188.07063	45.1
189.07376	0.4
200.07066	1.7
205.09740	2.2
206.09720	1.7
215.27467	0.2
220.07623	0.4
222.09247	0.3
224.10715	0.4
233.08383	0.3
234.09128	9.4
235.09634	0.3
236.10739	2.4
238.12328	0.4
248.10678	2.0
250.12381	0.5
252.10265	0.7
294.11243	44.0
295.11713	0.5
311.13898	25.1
312.14142	0.4
312.42178	0.3
400.15433	28.5
401.15778	0.9
417.18112	10.0
506.19513	0.4
523.22095	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06615	0.9
60.07889	0.4
60.08166	5.5
69.07065	0.4
70.02711	1.5
71.07374	2.8
79.05510	0.3
85.84566	0.3
86.09708	31.2
88.25443	0.3
98.33802	0.3
98.98473	2.7
104.10763	3.1
125.00008	21.0
154.03525	0.3
184.07347	100.0
185.07652	0.8
325.30771	0.3
504.34305	1.0
522.35486	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.7
56.05037	1.3
58.06599	1.5
60.08163	18.8
67.05503	1.4
69.07075	2.9
69.92269	2.4
71.07372	6.4
81.07034	1.0
83.08611	1.6
83.29550	0.5
84.44218	0.5
86.09708	53.1
91.43638	0.5
94.62674	0.5
95.08609	1.4
97.10187	0.7
98.98479	3.7
104.10744	100.0
121.10160	0.8
125.00008	28.3
131.74239	0.6
141.37637	0.5
163.01598	0.8
184.07346	95.8
185.07788	0.5
258.11124	1.4
339.28961	1.2
469.37909	0.5
504.34427	8.3
510.49847	0.6
522.35596	23.6
523.35980	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	8.6
57.03416	3.8
57.07079	1.7
60.04259	1.0
60.04526	14.1
65.03967	0.9
67.05176	1.4
67.05506	21.8
69.07063	9.7
70.02947	0.9
70.06596	11.3
70.12727	3.0
70.13144	1.6
71.04993	35.9
79.05496	5.4
81.07056	22.2
83.04967	1.1
83.08620	4.7
86.09679	3.0
87.10027	1.2
88.03992	24.8
88.07629	100.0
91.05473	4.1
93.07040	6.5
95.04977	1.1
95.08022	0.7
95.08599	16.9
97.06503	0.9
97.10154	3.1
98.98463	17.1
105.07008	2.8
106.05027	10.3
106.08669	33.9
107.08587	3.9
107.57398	0.9
109.10162	6.7
111.08037	0.9
111.11755	0.9
116.99470	1.0
119.08585	2.7
121.10125	3.1
123.11694	1.8
124.99982	2.1
133.10106	2.6
135.11664	1.3
137.13231	1.6
143.26344	0.8
147.11568	1.4
149.13206	1.7
155.01039	8.6
161.13260	1.3
165.16473	1.0
173.02087	3.4
173.03482	0.8
177.16350	1.3
184.07332	8.1
185.07730	4.0
186.05272	1.2
186.07788	2.9
242.04156	1.2
244.25868	1.0
245.22685	2.1
260.09000	1.8
263.23657	6.5
337.27356	69.5
338.27710	2.0
350.26785	2.0
350.30566	1.6
504.30737	3.0
522.31946	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	522.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24881	0.4
53.03932	0.6
55.01862	0.5
55.05515	12.0
57.03440	7.1
57.07068	1.9
60.04524	2.8
62.85054	0.4
65.03922	0.7
67.05508	24.5
69.07070	13.4
69.07452	0.4
69.11113	0.4
69.45815	3.4
70.06596	3.5
71.04999	6.1
71.08626	0.8
72.87453	0.5
79.05498	7.0
81.03396	0.6
81.07061	26.6
82.89859	0.4
83.04969	0.9
83.08623	7.0
85.06532	0.4
88.03999	3.4
88.07087	0.8
88.07632	15.9
91.05483	4.1
93.07052	6.0
95.04964	0.5
95.08611	19.9
97.06517	1.6
97.10178	3.7
98.98473	1.9
105.07040	3.6
106.05031	1.0
107.08601	3.9
109.10163	7.2
111.08094	0.8
116.05723	0.4
118.98437	0.4
119.08565	3.0
121.10159	3.5
123.11730	2.7
125.09658	0.7
133.10150	2.8
135.11676	1.2
137.13239	1.0
147.11681	2.0
147.71416	0.5
149.13254	1.2
149.91197	0.4
161.13266	0.9
163.14854	0.7
175.14832	0.8
186.05328	2.2
202.07774	0.5
245.22603	1.3
263.23712	1.9
279.47739	0.4
337.27374	100.0
338.27853	2.8
350.26712	1.4
394.57947	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.05513	12.9
57.03445	7.9
57.07080	1.5
60.04521	0.8
63.29886	0.8
65.03937	1.1
66.50260	0.7
67.05507	28.4
69.06727	1.3
69.07072	16.1
69.43241	4.0
69.43681	3.4
71.04997	2.6
71.08633	1.0
79.05497	7.6
81.07059	26.9
83.04979	1.4
83.08629	7.4
83.80913	0.7
85.06526	0.8
88.04008	5.2
88.07649	6.2
91.05482	5.6
93.07043	8.1
95.08054	1.3
95.08613	17.7
97.10186	4.0
98.98454	4.1
105.07021	4.0
106.05035	2.1
107.08601	3.8
109.10152	7.4
119.08565	2.8
119.09377	0.7
121.10141	2.6
123.11692	3.1
124.93764	2.4
133.10141	2.3
135.11690	1.4
147.11668	2.0
149.13232	0.9
154.94168	0.8
155.01117	0.8
161.13297	1.0
167.98004	1.4
172.95137	1.0
173.02087	1.2
184.07391	1.7
186.05281	1.9
194.00224	0.8
263.23792	1.4
306.24954	0.9
337.27380	100.0
338.27847	3.8
350.27020	1.6
473.19482	2.4
522.25659	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.05515	13.1
56.73209	0.7
57.03439	8.2
57.07075	2.4
65.03941	1.1
66.38596	0.7
67.05509	25.7
67.05876	1.2
69.07074	18.0
71.08626	1.1
71.59087	1.3
79.05495	9.2
81.07060	32.1
83.08627	9.5
85.06580	1.1
88.03989	8.1
91.05463	5.2
93.07037	8.7
95.08610	21.6
97.06551	1.4
97.10172	3.8
98.98477	4.6
99.08123	1.0
105.07048	3.2
106.05043	2.5
107.08599	5.9
109.10153	8.2
111.08104	1.1
119.08583	3.5
121.10151	2.9
123.11709	3.2
133.10143	4.0
135.11684	2.0
137.13295	1.3
147.11691	2.4
149.13316	0.9
151.14807	0.9
155.01051	2.2
161.13255	1.6
163.14838	1.2
173.02055	1.6
177.70447	1.0
224.15854	0.9
260.05426	0.9
263.23676	1.1
295.59024	0.8
337.27377	100.0
338.27606	4.0
350.26917	2.6
495.13849	0.9
522.36230	0.9
539.41193	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	14.0
57.03436	7.6
57.07072	1.5
60.04506	1.4
65.03917	1.5
67.05508	30.3
69.07070	15.3
69.35861	0.7
70.02964	0.7
71.05000	0.7
79.05489	6.8
81.06584	1.6
81.07058	29.7
83.04929	0.7
83.08614	9.3
85.06581	0.8
88.03992	8.6
91.05471	4.7
93.07047	6.9
95.04971	0.9
95.08607	21.8
97.06515	1.4
97.10163	4.7
98.20748	2.9
98.98463	5.8
105.07007	4.8
106.05020	1.8
107.08591	3.3
109.10155	7.6
110.09206	0.6
111.08071	0.9
119.08574	2.8
121.10133	3.0
123.11723	2.0
133.10150	2.9
135.11681	2.0
147.11693	2.0
161.13351	1.0
163.14746	0.7
173.02130	1.1
175.14856	1.4
239.58849	0.7
245.22626	1.5
263.23718	1.9
337.27365	100.0
338.27698	5.0
350.26862	2.2
489.65442	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.6
53.58395	0.4
55.01852	0.5
55.05504	1.6
57.03447	0.6
61.02908	0.7
65.03940	5.7
65.42608	0.5
66.82730	0.5
67.05517	3.4
69.03429	0.9
69.07065	1.8
70.04066	1.3
70.06581	1.0
71.59383	0.6
71.59772	0.6
74.53133	0.5
78.99372	0.4
79.05502	3.0
80.05020	0.5
81.03408	0.8
81.07048	3.5
83.08605	0.8
85.02910	1.0
87.04459	0.8
91.05478	1.4
91.51698	0.5
93.07040	2.5
95.04974	1.5
95.06128	0.6
95.08610	1.5
97.02855	0.5
97.06533	1.0
105.07019	1.9
107.04951	14.3
107.08604	1.6
108.08104	0.6
109.10147	1.9
111.04432	4.9
116.98621	0.5
119.08577	1.4
121.02866	100.0
121.10107	0.6
127.03967	0.5
130.07246	0.6
131.08563	0.6
133.10141	1.4
134.99680	0.5
135.11693	0.5
136.07530	0.5
141.01082	0.6
145.10097	0.7
147.06912	0.5
147.11661	0.9
148.07558	7.2
148.08685	0.7
150.09100	0.6
160.97369	0.7
162.09116	0.7
199.06224	0.8
212.07095	0.6
229.14413	0.9
230.14796	0.6
260.16452	9.8
260.51324	0.5
276.20447	1.8
278.17511	8.8
285.10013	0.6
296.15564	0.8
296.18600	7.9
371.19174	0.6
384.21664	3.0
398.19525	1.9
402.22714	8.1
410.19547	1.7
416.20657	7.4
428.20792	3.8
462.53894	0.4
502.07370	0.5
522.26587	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00657	1.3
52.12712	1.6
55.05504	4.4
56.05013	1.9
57.03389	1.5
58.99586	22.5
60.99150	1.4
61.97030	1.5
67.05502	14.8
67.12403	1.3
69.07076	9.0
70.06590	6.4
71.04978	3.8
72.08142	2.4
72.97537	1.7
73.01135	1.6
76.02230	22.0
76.04008	4.4
78.01810	3.4
79.05481	9.4
81.07061	27.1
83.04977	2.5
83.06092	3.5
83.08614	5.4
84.04507	11.9
84.08150	2.7
84.81101	1.5
85.06514	3.6
86.09719	4.1
86.99061	12.8
87.02681	2.4
88.02209	5.0
91.05482	8.3
93.07023	9.5
95.08609	32.2
97.06524	6.8
97.10164	2.7
99.05598	1.8
99.08094	2.4
102.05579	2.2
102.89906	1.7
105.07042	9.7
107.04951	2.0
107.08602	6.9
109.06495	2.8
109.10155	5.3
110.07188	2.1
111.02654	1.9
111.08099	1.5
114.03835	1.7
116.01677	65.4
118.01277	2.0
119.08580	13.8
121.10166	4.4
123.08008	2.9
129.06621	5.2
130.05022	5.6
133.10152	11.6
135.11676	6.2
137.13264	4.4
142.03236	10.2
144.01149	31.4
145.06055	2.3
149.13240	2.5
159.11801	1.5
161.13271	24.9
161.14471	2.7
162.02202	100.0
170.02751	2.3
179.04831	3.4
179.14301	19.0
181.04366	1.6
184.07278	2.9
193.00502	1.5
195.13776	2.1
197.15370	17.3
198.77310	1.6
198.79315	1.5
215.16449	5.6
221.15187	1.4
245.05818	2.1
255.14127	6.7
272.16983	2.3
273.15210	25.3
281.73218	1.5
290.17914	2.1
340.15833	3.3
358.16656	5.7
359.73343	1.8
374.18250	2.7
375.17850	11.5
376.17825	12.8
393.20569	21.8
447.21616	11.3
459.21692	1.7
504.23459	2.0
522.24438	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	522.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00278	2.4
53.03947	10.7
55.01870	11.8
55.05498	5.3
56.96557	2.3
57.03422	8.6
61.02916	10.1
67.05500	11.5
68.99783	4.0
69.03423	36.2
69.07049	3.6
70.06574	4.7
70.13367	5.8
70.13773	3.5
71.04980	6.9
73.02907	12.3
79.05489	9.1
81.03406	34.2
81.07038	6.5
83.04977	2.4
83.08579	2.8
85.02899	100.0
87.00826	48.9
87.04461	3.9
89.05999	2.2
91.03940	4.2
91.05476	48.5
93.07056	4.7
95.04971	3.9
95.08593	5.1
97.02274	4.4
97.02882	68.6
99.04444	19.9
103.05444	2.2
105.01854	70.3
105.07026	47.2
107.04955	14.4
107.08591	2.9
109.02885	27.8
109.10152	6.7
111.04443	2.7
117.01866	5.7
117.07032	2.1
119.08583	3.3
121.06488	4.1
123.04451	2.3
127.03909	82.0
129.01830	3.4
129.06989	15.2
135.11670	2.1
145.04942	39.2
147.02872	2.6
150.09074	2.7
159.02878	15.4
181.10268	2.3
189.03899	2.8
195.11615	4.4
207.11685	20.1
213.03946	5.6
225.10542	3.8
225.12720	40.8
229.03209	7.9
231.04990	21.4
249.06017	7.5
250.18094	2.7
275.20007	4.0
316.08044	2.3
333.15176	2.2
337.11880	2.9
357.14328	2.7
373.15112	2.2
455.16742	5.2
522.22717	3.2
522.32251	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	522.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.4
55.05495	0.8
56.06651	0.4
65.03936	0.8
67.05489	1.1
69.03417	0.6
69.07060	0.5
70.06589	0.9
72.08112	0.5
79.05475	1.0
80.05012	1.0
81.03407	1.0
81.05807	0.6
81.07036	1.6
83.08616	0.4
84.08127	0.6
85.02908	0.8
89.03914	0.8
91.05488	0.9
91.24813	0.4
92.04963	0.6
93.05787	0.8
93.07040	0.9
94.06550	2.7
95.04955	0.7
95.08598	0.6
97.02840	0.5
99.04417	0.5
105.07032	1.7
106.06549	1.4
107.04942	2.5
107.07331	8.6
108.05293	0.5
108.08115	14.5
108.08852	0.7
116.04968	2.8
118.06542	0.9
120.04451	3.7
120.08083	1.5
121.06464	0.7
121.08891	0.6
122.06024	1.7
122.09659	14.8
127.03896	0.6
132.08055	0.5
134.05991	1.5
135.06787	2.6
136.07571	1.7
138.05504	3.5
138.09172	0.7
144.04434	6.8
146.06013	3.7
148.03912	0.7
150.05473	1.8
150.09132	100.0
151.09508	1.2
160.03955	0.6
160.07626	0.6
162.05499	3.7
164.07050	0.6
166.05016	2.1
172.03928	24.9
174.05527	1.5
188.07068	0.5
190.04973	10.7
195.09152	0.7
196.09805	0.6
197.10715	1.2
204.06555	9.6
204.08430	0.6
209.06883	0.5
209.10750	2.0
211.08669	0.8
211.12354	0.5
212.09485	1.8
213.10216	0.7
213.13840	0.5
216.06577	1.1
218.04504	0.9
220.07436	0.4
221.13249	0.5
222.07841	0.8
222.11469	1.0
223.08684	1.1
223.12236	0.9
224.09326	3.0
225.10223	3.7
226.11111	0.6
229.13364	0.8
231.14940	1.2
235.08667	1.4
235.12376	0.7
236.09401	2.4
237.08023	0.7
237.10242	9.6
238.10927	1.5
239.08060	1.3
239.11732	3.7
240.09106	0.4
241.09761	2.0
247.08574	0.5
249.10229	1.6
250.07324	1.7
250.10982	0.5
251.08151	1.4
251.11801	7.5
252.08963	1.6
252.12563	1.4
253.09694	4.7
253.12463	0.5
253.13396	0.6
255.11171	1.0
257.12811	2.7
261.10239	0.8
263.11899	2.2
264.08951	1.4
265.09708	13.9
266.10413	2.6
267.11276	3.7
269.12738	0.9
271.10797	1.4
278.06561	7.3
279.11240	8.9
280.08383	1.9
280.11847	0.9
281.09503	0.7
281.12839	3.2
282.26093	0.4
283.10751	5.9
285.12445	0.7
289.09702	1.3
291.11365	0.6
292.08109	1.0
293.09195	16.2
294.10004	4.1
295.10782	1.0
296.11633	0.7
297.12390	4.1
299.10214	1.7
299.13477	0.4
300.11179	0.7
307.10693	3.3
308.11371	0.5
309.08777	0.6
309.12326	11.3
310.12860	0.5
311.10196	3.0
312.10956	3.1
313.11667	3.9
315.70819	0.4
317.06296	1.0
318.06824	2.0
323.10233	0.7
325.08353	0.3
325.11826	8.5
327.13394	3.6
335.10266	6.8
339.09796	0.8
340.10608	3.3
341.11319	9.1
341.14941	1.5
353.11310	17.7
354.11761	0.5
373.13901	0.5
385.13971	3.8
390.18033	0.5
418.21402	0.5
420.19131	0.9
421.19678	1.2
434.20660	0.7
444.19058	1.2
446.20892	0.8
448.18524	0.8
448.30298	0.6
449.19421	5.3
462.20200	10.9
472.18680	5.3
490.19708	43.0
491.20139	2.0
504.20914	0.7
514.44019	0.5
522.22388	1.0
522.33600	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
53.89180	0.3
55.05501	0.4
56.05033	0.5
60.04532	0.6
61.02921	0.4
69.03426	0.8
70.06590	4.9
70.18858	1.9
72.08152	1.1
74.06047	0.4
84.04507	1.4
84.08170	1.7
84.86075	0.4
85.02896	2.9
86.09695	1.2
87.05589	1.0
89.33086	0.4
90.79550	0.3
95.04978	1.0
97.02898	1.0
98.21423	0.4
101.07138	0.6
103.05471	33.1
104.05824	0.6
107.04931	0.8
110.07171	1.4
113.07133	0.5
115.05039	0.8
120.08109	7.3
127.03945	0.7
129.06586	0.6
129.10217	1.4
131.04933	100.0
132.05269	1.6
133.06476	0.9
137.06021	0.5
141.06592	0.9
145.05016	0.4
163.07550	47.9
164.07906	0.7
165.09126	0.7
166.08656	0.7
172.07269	0.7
177.10237	0.9
186.08755	0.5
193.96628	0.4
223.10680	0.7
229.09122	0.4
239.40645	0.4
286.34485	0.4
300.13055	0.5
319.14001	0.5
383.70663	0.4
454.02982	0.4
522.22784	0.5
533.81561	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
55.01871	2.8
55.05508	15.3
57.03444	2.6
57.07072	53.5
58.07410	3.7
65.03954	1.3
67.05499	28.3
69.03416	1.2
69.07065	91.3
70.04077	1.3
70.06586	1.5
70.07401	15.5
70.07841	4.8
70.85169	2.5
71.04988	2.3
71.08228	1.2
71.08627	17.1
72.15907	0.8
78.78532	0.8
79.05486	23.2
79.05943	1.2
81.03414	1.9
81.07049	26.8
83.04990	3.8
83.08612	13.0
85.06533	1.6
85.10181	8.9
89.06040	1.8
91.05466	9.6
93.07040	30.9
95.04969	7.7
95.08598	43.7
97.02892	3.4
97.06532	3.8
97.10131	4.2
98.99989	1.7
99.04465	2.4
99.11696	1.0
100.99727	1.5
103.05467	1.4
105.07024	8.4
107.04941	5.9
107.08586	21.0
107.09296	1.5
109.06516	2.1
109.10139	12.4
111.04464	2.3
113.05998	1.1
114.03027	2.8
115.01322	1.0
115.07558	14.6
116.07910	2.8
117.07005	6.6
119.08568	9.4
121.06506	4.9
121.10122	10.6
123.08031	1.0
123.11711	3.1
125.06014	1.3
125.09605	1.1
126.99485	3.7
127.99837	1.0
128.99171	4.5
129.01033	5.6
130.01379	1.6
130.07816	2.2
131.00737	6.9
131.08591	1.4
132.01086	0.8
133.10138	2.6
135.08051	1.9
135.11678	32.3
135.12691	1.7
137.13246	1.4
139.07597	1.1
141.01024	6.5
142.01381	2.0
143.00728	8.9
143.08575	0.9
144.01067	1.4
145.10109	21.1
147.08084	1.0
147.11722	1.1
151.11128	0.7
155.02634	2.8
156.02928	1.3
157.02267	4.8
158.02615	0.9
161.09767	1.1
163.11169	48.6
166.09842	2.3
173.09583	1.0
181.12202	11.3
197.07268	18.9
197.08949	1.1
198.07628	11.3
199.06963	26.9
200.07306	9.8
209.11763	2.5
220.14383	1.6
225.06702	0.9
227.12764	100.0
235.16835	1.6
239.23828	2.8
275.20087	1.3
280.03094	0.8
293.20978	6.1
312.75076	0.8
334.09738	0.8
335.13657	1.0
336.09366	1.1
362.16394	4.6
379.78925	1.7
446.08701	1.0
447.08673	5.0
447.18042	1.2
448.08279	2.1
462.97330	0.9
464.09665	3.8
465.09818	16.8
466.09607	7.8
520.87537	11.8
521.16211	3.0
521.38397	67.8
521.87866	2.1
522.15631	2.7
522.39166	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15377	1.1
53.03932	2.1
55.01862	1.6
55.05511	10.1
57.03434	2.2
57.07074	25.5
62.07444	1.1
65.03933	1.1
65.76751	1.2
67.05173	1.8
67.05504	22.9
69.03436	1.4
69.07066	14.3
69.27793	1.2
71.05006	1.6
71.08629	16.5
79.05054	2.0
79.05490	22.3
81.03430	2.7
81.07058	26.9
83.04956	1.3
83.08615	14.4
85.10182	10.6
91.05461	8.8
93.07044	28.6
95.04967	6.8
95.08609	41.3
95.09227	2.0
97.02880	3.5
97.06522	2.4
97.10186	5.5
99.04469	3.9
104.85020	1.6
105.07027	8.6
107.04970	8.2
107.08602	24.0
109.06532	1.6
109.10143	10.6
111.04454	1.6
111.08035	1.4
117.07030	9.6
119.08580	8.1
121.06505	3.6
121.10130	7.4
123.11692	2.8
125.05997	2.5
130.07762	1.4
133.10126	2.2
135.08025	2.7
135.11681	36.4
139.07513	2.1
143.08611	1.3
145.10114	20.9
153.12852	1.3
163.11182	45.1
181.12202	11.5
209.11722	2.6
225.38850	1.5
227.12773	100.0
239.23767	3.8
521.38391	59.5
522.38531	1.6
524.82043	1.6
536.15503	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.01876	3.3
55.05510	12.6
57.03438	2.7
57.07073	29.0
65.03934	1.5
67.05502	25.4
69.07068	15.3
69.27226	5.1
69.27652	6.8
71.04999	2.4
71.08631	19.2
79.05490	21.7
81.03418	2.1
81.07053	26.7
83.04986	3.3
83.08604	13.3
84.33412	1.1
85.06565	1.9
85.10177	9.1
89.06013	1.4
91.05480	10.5
93.07035	23.6
95.04975	6.3
95.08603	39.1
97.02883	2.9
97.06535	3.7
97.10169	5.6
99.04456	2.3
105.07026	10.7
107.04939	7.3
107.08601	18.6
108.89009	1.1
109.06506	2.3
109.10146	9.1
111.11716	1.8
117.07030	7.3
117.40335	1.1
119.08591	7.2
121.06532	4.0
121.10151	10.2
123.11724	3.9
125.05966	1.3
129.07010	1.7
133.10168	2.9
135.08092	1.6
135.11685	34.0
143.08620	2.0
144.85999	1.1
145.10120	20.1
163.11165	43.6
181.12218	14.3
199.07095	1.5
209.11780	4.1
220.14232	1.5
227.12775	100.0
237.05621	1.2
239.23817	2.9
279.06345	1.2
306.59116	1.1
390.12024	1.2
411.30203	1.2
438.68338	1.2
520.87506	7.0
521.38446	61.0
521.88074	1.8
522.38727	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	521.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.3
55.01838	2.2
55.05506	10.2
57.03407	1.6
57.07069	25.2
59.69883	0.5
65.03906	1.4
67.05496	19.2
69.03411	0.8
69.07061	10.1
70.04035	0.8
71.04948	2.1
71.08624	14.7
71.43735	0.5
73.02890	0.6
75.03789	0.5
76.60912	0.5
79.05488	18.6
81.03380	1.6
81.07050	21.6
83.04951	2.3
83.08613	10.2
85.06525	0.9
85.09718	0.5
85.10177	7.9
87.04459	0.9
89.05998	1.3
91.05459	8.5
93.07038	26.2
95.03169	0.5
95.04959	4.6
95.08598	37.5
96.97971	0.6
97.02843	2.2
97.06489	2.5
97.10153	3.9
99.04436	2.9
103.05405	1.0
105.07027	16.3
107.04944	6.3
107.07870	1.0
107.08584	19.0
109.06481	1.2
109.10149	8.1
110.03484	0.7
111.04427	0.7
111.07983	0.6
111.11707	1.3
117.06998	7.4
119.07806	0.5
119.08582	7.3
121.06508	4.3
121.10126	9.1
123.11651	2.4
125.05946	1.8
130.07735	1.4
131.08507	0.9
133.10110	1.9
135.08025	1.7
135.11681	34.5
136.08701	1.3
137.13222	0.9
139.07535	0.8
143.00682	0.7
143.08582	0.7
145.10106	20.3
148.08643	1.6
163.11168	47.4
181.12231	11.2
197.07216	0.8
209.11761	1.6
220.14407	18.5
221.14775	10.7
227.12762	100.0
228.13126	1.8
234.15948	3.9
235.16765	13.7
236.17108	7.6
239.23624	3.1
327.17447	0.8
328.52313	0.7
363.16391	1.0
520.87701	1.3
521.16205	7.7
521.38373	58.1
522.15643	3.2
522.38263	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19214	1.4
53.03935	2.1
55.01864	3.4
55.05502	10.6
57.03423	2.1
57.07071	33.0
67.05499	20.1
69.07063	10.4
69.34803	14.2
70.69163	1.4
71.04983	1.8
71.08629	18.8
76.86858	1.4
79.05489	24.0
81.03410	1.9
81.07047	28.7
83.04952	3.7
83.08601	15.1
85.10181	10.7
91.05472	8.3
93.07035	30.5
95.04961	6.3
95.08600	45.4
96.32690	1.3
97.02908	2.7
97.06516	4.3
97.10157	5.6
98.21532	3.3
99.04447	4.0
103.05436	1.6
105.07007	7.1
107.04946	9.3
107.08582	26.0
109.10144	8.0
111.04350	1.5
111.32776	1.5
117.07036	8.7
119.08582	9.4
121.06482	5.7
121.10140	11.3
123.11744	2.1
123.68491	1.5
130.07793	3.2
133.10126	3.1
135.08151	2.4
135.11685	46.5
139.07535	2.2
145.10124	26.4
145.11252	1.6
150.34824	1.3
155.93851	1.7
163.11168	51.4
163.12520	2.6
181.12204	13.7
227.12766	100.0
228.13060	1.5
239.23543	2.2
269.80283	1.5
317.19229	1.6
446.15210	1.8
475.69412	1.7
521.38373	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.8
55.01865	9.3
55.05508	79.0
56.96565	5.2
57.03429	22.5
57.07068	7.1
59.04985	3.5
61.02925	4.8
65.03947	4.0
67.05496	96.0
68.05836	4.3
68.58852	2.2
69.03423	7.0
69.07060	36.2
70.15130	5.0
70.15524	5.3
71.04990	4.2
78.03133	2.2
79.05488	71.5
81.03392	3.0
81.07050	87.9
82.07362	3.1
83.04974	8.7
83.08621	48.6
85.06525	6.4
91.05473	69.6
92.05829	4.0
93.07034	60.8
95.04954	10.9
95.08598	38.1
96.08943	3.5
97.02901	4.5
97.06529	7.1
97.10167	68.3
98.98508	2.8
99.08080	6.3
105.07021	79.8
106.07368	3.5
107.04990	6.0
107.08584	54.5
109.06525	4.7
109.10142	32.9
111.08070	4.1
115.07586	3.1
117.06985	19.3
119.08572	67.3
121.06480	4.4
121.10140	22.7
122.18505	2.6
123.08041	3.1
123.11687	3.6
125.09625	58.5
129.07001	10.1
131.08569	21.8
133.10110	54.0
135.08037	11.3
135.11662	21.0
137.09592	5.7
137.13243	3.6
143.00862	3.1
143.08517	9.0
145.10121	24.9
147.11678	47.4
149.09639	3.6
149.13240	12.4
155.08498	3.8
157.10098	8.8
159.11665	22.4
161.13242	46.9
163.11172	4.9
163.14822	5.0
171.10312	3.7
171.11717	14.9
173.11699	7.3
173.13260	13.9
175.11212	3.1
175.14815	17.6
177.12715	4.6
185.13249	10.3
187.14793	7.4
189.11198	60.1
197.07344	2.9
199.06946	2.5
199.14798	5.8
200.07346	2.5
213.16406	4.0
214.47659	2.6
215.18231	2.9
227.12747	43.4
229.14337	10.9
231.21014	12.2
241.19513	52.6
245.13829	86.6
247.20634	2.6
259.20563	100.0
275.20074	16.1
277.21536	7.3
287.37149	2.6
293.21085	3.1
296.09769	3.3
297.10010	3.2
309.81342	2.7
315.23264	11.0
333.24234	52.3
335.25824	9.7
336.26050	39.3
349.16806	4.9
349.23703	5.6
351.14471	3.3
351.25558	3.4
367.17966	5.4
423.27377	3.6
485.32837	5.9
503.33636	24.8
521.27362	2.8
521.34869	15.0
544.79498	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	521.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.2
55.01858	10.3
55.05507	77.7
56.96562	6.0
57.03428	23.6
57.07064	5.2
59.04981	3.2
61.02912	4.1
64.78642	2.4
65.03915	4.8
67.05499	93.4
68.05824	4.5
68.14187	2.1
69.03417	8.8
69.07065	38.4
70.72890	8.4
71.04983	7.2
71.45061	2.2
76.42588	2.7
79.05053	4.5
79.05487	68.6
81.03395	2.8
81.07047	80.2
82.07394	6.8
83.04984	5.6
83.08612	47.0
85.02897	3.9
85.06538	5.6
91.05476	79.6
92.05808	5.1
93.07037	66.2
94.07323	3.6
95.04962	9.0
95.08598	44.5
95.75528	2.2
96.08919	4.4
97.06515	9.8
97.09529	4.6
97.10159	82.5
98.98420	2.6
105.07017	74.4
106.07372	4.8
107.04953	10.0
107.08577	59.5
109.06546	4.3
109.10143	35.1
110.10517	2.3
111.08092	7.2
115.07568	3.9
115.71523	2.2
117.07021	22.5
119.08569	67.7
121.06476	3.2
121.10139	27.2
123.08049	5.0
123.11707	5.8
124.78271	2.2
125.09618	70.4
128.06166	2.5
129.06982	9.1
131.08568	27.2
133.10117	63.4
135.08025	8.7
135.11655	22.7
143.08553	12.1
143.10648	3.5
145.10107	26.0
147.11674	52.9
149.09644	7.3
149.13243	14.9
153.09082	7.1
155.10681	3.2
157.10124	7.9
159.11688	21.9
161.13242	32.5
163.11134	2.6
163.14841	3.9
165.12773	2.8
171.10115	6.9
171.11661	16.4
173.11758	6.5
173.13243	14.8
175.14792	17.5
177.12776	3.5
179.14220	2.9
185.13168	13.0
187.14874	3.0
189.11189	67.2
197.13260	2.5
199.06964	3.9
199.14777	5.9
201.16434	3.1
204.09283	2.9
213.16414	3.6
217.19525	3.0
227.12738	36.4
229.14297	14.2
231.21104	9.0
241.19482	41.4
245.13817	83.1
257.19116	3.5
259.20541	100.0
275.20099	21.0
277.21613	8.2
293.20978	3.8
296.09793	8.1
315.23157	6.1
324.34515	2.5
331.15726	3.1
333.24161	51.5
335.25720	5.9
336.26111	49.6
349.16751	7.5
349.23770	7.9
351.25110	3.9
367.17789	3.4
411.28912	2.9
423.27454	3.7
485.32693	6.0
503.33798	25.2
521.27734	2.4
521.35089	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.0
53.19413	2.2
55.01866	10.7
55.05508	74.9
56.96539	3.9
57.03437	21.7
57.07065	5.8
59.04992	4.3
61.02908	3.8
62.01657	2.0
65.03937	4.3
66.93146	1.8
67.05502	97.2
68.05832	5.2
69.03419	8.6
69.07066	32.2
71.04988	5.7
71.59814	3.5
78.24225	2.0
79.05489	70.9
80.05818	2.1
81.03419	3.3
81.07053	78.3
82.07401	4.8
83.04968	8.9
83.08614	49.7
85.02888	5.1
85.06541	5.0
88.03983	4.9
90.40717	2.2
91.03947	2.1
91.05476	78.0
92.05787	2.3
93.07040	68.0
94.07343	4.3
95.04956	12.8
95.08601	42.3
96.06927	1.9
96.08942	4.2
97.02895	3.7
97.06525	9.3
97.10165	72.2
98.97621	2.2
98.98441	4.1
99.08048	4.1
105.07027	81.9
106.07341	3.2
107.04955	8.3
107.08590	61.1
109.06499	6.0
109.10145	34.1
111.08074	6.9
115.07578	2.4
115.16815	2.0
117.07005	19.3
119.08578	67.1
121.06428	4.1
121.10130	22.4
122.10489	2.0
123.08084	4.8
123.11705	7.0
125.09633	65.2
128.06219	3.0
129.06973	11.7
131.08557	30.1
133.10114	51.2
135.08037	11.0
135.11678	23.7
137.09612	4.3
138.29222	2.3
143.08510	11.0
143.10634	4.0
145.10110	26.1
147.10510	3.0
147.11670	55.3
149.09613	6.1
149.13235	14.0
153.09068	3.4
156.03535	2.0
157.10135	12.7
158.31343	2.2
159.11681	23.0
161.13243	43.6
163.11186	6.8
163.14813	5.7
171.10249	5.0
171.11673	17.1
173.11705	8.4
173.13255	15.6
175.14801	20.7
177.12729	3.6
185.13249	11.5
187.14787	6.5
189.11209	61.3
189.12836	3.6
197.13261	3.0
199.14850	7.2
203.14291	2.3
213.16356	3.5
217.19476	2.3
227.12773	47.6
229.14302	13.6
231.21039	9.7
241.19508	47.3
245.13841	81.2
247.20685	2.4
257.19055	4.0
259.20569	100.0
275.20041	18.9
277.21588	6.5
296.09708	3.0
297.10062	5.4
297.56464	2.2
315.23129	5.9
331.15939	2.6
333.24219	45.7
335.25696	6.1
336.26102	46.9
349.16824	3.9
349.23871	6.7
350.17188	3.3
351.25314	5.4
367.17865	4.2
423.27438	2.7
429.29874	3.6
432.71890	2.8
485.32428	7.5
503.33701	27.0
521.35150	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	521.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	13.2
57.03228	4.2
57.03444	43.9
62.38697	4.8
67.05504	29.5
69.07063	5.6
70.06586	10.9
71.59092	7.5
76.07732	4.7
79.05500	27.9
81.07051	24.9
83.08622	11.8
84.08143	8.9
85.06586	6.8
86.09715	10.9
91.05472	39.7
93.07042	29.6
94.27422	4.9
95.04968	9.3
95.08620	25.8
97.10230	4.2
98.98455	18.5
105.07047	38.8
107.04963	23.8
107.08562	20.8
109.06554	8.1
109.10148	6.8
112.89293	5.1
117.07034	13.1
119.08559	32.5
121.06505	9.7
121.10155	6.8
129.07025	5.1
129.10286	4.6
131.08571	18.9
133.10144	19.4
135.08083	5.7
135.11708	6.3
137.09688	5.6
143.08534	8.4
145.06474	5.8
145.10112	8.9
147.11687	9.5
157.06516	5.5
159.11681	9.9
161.09599	5.5
161.13268	8.1
172.95279	7.2
173.13251	5.5
184.07353	12.2
185.13298	12.2
201.16486	6.1
203.14323	11.2
219.17451	65.6
238.09805	4.8
257.19162	10.5
275.20056	62.6
283.61679	4.2
297.24573	4.1
349.23752	100.0
521.17603	5.7
521.25476	5.0
536.26208	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	521.251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45108	2.8
53.03922	2.8
55.05498	11.6
57.03436	30.2
67.05508	22.6
69.07058	9.1
70.06584	13.1
71.59269	4.0
72.08145	4.1
79.05501	31.3
81.03410	3.2
81.07040	30.4
83.08598	5.9
84.04504	3.9
84.08139	6.9
85.06556	5.1
86.09689	8.6
87.61810	3.2
91.05457	35.3
91.47285	2.7
93.07037	26.8
95.04929	8.2
95.08608	21.5
97.06505	4.0
97.10147	5.1
98.98464	13.7
105.07029	34.6
107.04942	14.2
107.08593	17.3
109.06507	8.4
109.10149	7.6
111.50649	3.0
117.06974	12.5
119.08578	27.9
121.06489	3.9
121.10127	13.8
121.61140	2.9
123.08089	3.0
125.77872	2.7
129.06961	6.7
129.10219	4.0
131.08559	19.6
133.10121	14.4
135.08109	6.5
135.11678	5.6
137.09593	3.3
143.08528	7.0
145.06415	3.4
145.10089	15.4
147.11708	5.6
149.09666	4.4
157.10100	7.3
159.11684	12.3
161.13206	6.1
163.11180	3.0
163.24529	3.5
169.10120	3.2
172.95129	3.8
173.13261	6.7
185.07742	3.7
185.13203	12.1
193.63327	3.4
201.16356	6.3
203.14256	3.5
219.17438	58.9
229.56876	3.5
230.38197	3.3
239.17838	4.1
257.18982	9.8
275.20032	43.7
349.23727	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.6
53.55579	0.6
55.05505	1.0
56.05029	2.1
60.04514	2.2
62.53517	0.5
69.03442	0.6
69.07050	0.8
69.50986	4.4
70.02931	0.6
70.06593	17.4
71.06916	1.1
72.08156	5.6
74.06057	0.9
76.02237	1.2
79.05495	0.9
81.03406	0.7
83.06087	1.0
84.04514	5.4
84.08130	5.2
85.02911	1.6
85.08464	0.6
86.09701	9.0
87.05579	0.8
87.10043	0.7
88.04029	0.6
91.05474	2.0
93.82169	0.5
95.04970	1.7
98.06004	0.9
101.07169	0.7
102.05533	1.2
103.05464	50.4
104.05265	0.7
104.10767	0.9
105.07059	4.5
107.04960	4.8
108.05319	1.2
110.07169	3.1
115.05458	0.6
117.36086	0.6
119.04916	1.0
120.08086	2.8
127.08691	0.6
129.06732	0.6
129.10219	4.3
130.04977	1.6
131.04926	100.0
132.05246	1.1
133.06517	5.5
136.07582	1.7
137.05997	2.1
147.04472	0.7
147.05829	0.8
147.07639	1.7
155.08156	0.8
161.05978	9.0
163.07545	26.9
184.07332	0.6
187.07439	0.7
225.71907	0.6
229.15625	0.9
235.11275	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.3
53.03936	0.6
55.01870	0.3
56.05006	0.3
60.04519	0.6
70.06590	4.5
71.60240	0.5
72.08154	0.7
76.02196	0.3
77.03918	0.4
79.05500	0.6
81.03403	0.4
84.04501	0.4
84.08125	1.1
85.02920	1.3
86.09704	1.8
87.05570	0.3
89.07145	0.9
91.05448	1.3
95.04971	1.5
97.02895	0.3
102.04676	0.6
103.05459	51.7
105.04500	0.6
105.07027	4.0
107.04933	2.7
108.05236	0.3
110.07152	0.4
115.05436	0.8
118.04176	0.3
119.04908	0.8
120.08105	0.4
123.04412	0.9
129.10201	0.6
131.04915	100.0
132.05241	0.6
133.06487	3.4
136.07587	0.4
137.05977	4.0
144.74625	0.3
145.04932	0.4
147.04407	1.0
149.05954	0.3
159.08026	0.4
161.05977	9.5
162.02272	0.3
163.07530	27.0
172.05090	0.3
175.07544	0.7
179.06993	0.5
183.14836	0.4
183.53532	0.3
187.07509	1.4
191.08586	0.3
251.10689	0.3
279.10110	0.3
291.10052	0.5
309.65302	0.3
311.12839	0.6
415.25604	0.4
521.21509	0.4
521.29504	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	520.34
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04962	0.6
56.05020	1.2
58.50429	0.7
60.08170	7.8
67.05499	1.4
67.20376	0.7
71.07358	2.8
71.35782	1.7
77.32448	0.7
81.07071	1.1
86.09706	33.1
95.08615	1.1
98.98460	3.1
104.10741	26.6
113.94883	0.6
125.00005	22.0
165.12556	0.7
184.07341	100.0
207.76976	0.7
217.51163	0.8
243.22813	0.7
364.96564	0.8
502.32770	4.7
520.33734	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	520.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
69.82069	1.5
69.82478	0.9
70.06580	1.8
72.08155	0.5
73.02883	0.7
73.06535	1.9
75.34558	0.4
76.02225	0.7
78.01797	0.6
79.05501	0.4
81.03429	0.7
84.04506	1.6
84.08143	0.6
85.02908	1.1
86.09699	1.0
87.03923	0.4
87.04463	9.2
89.06025	100.0
91.05482	1.1
91.07598	0.7
95.04970	0.4
98.19485	0.3
107.04947	1.7
107.07069	3.6
110.07131	0.4
115.07483	0.4
117.09124	0.8
126.05503	0.6
130.08611	0.8
131.07034	2.9
133.08594	61.6
134.08917	0.6
137.05954	0.5
175.09691	2.0
177.11211	23.0
179.04765	0.4
180.05077	0.4
195.12178	0.4
204.06590	0.9
221.13861	2.9
239.14804	0.8
265.16367	1.0
267.06860	0.7
276.70511	0.4
280.24844	0.3
283.17484	1.9
290.08817	0.8
309.18878	0.6
310.09070	0.6
341.61902	0.4
366.22736	1.0
371.22678	0.5
415.25342	0.9
431.18362	0.6
459.27686	1.1
503.30591	7.7
520.20264	1.1
520.33270	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.7
58.06628	0.3
60.07887	0.3
60.08165	6.5
61.56613	0.3
65.35900	0.3
71.07385	3.1
71.43495	0.5
81.07040	0.3
86.09708	31.3
91.61099	0.3
95.08610	0.5
98.98479	3.3
104.10749	3.3
125.00011	22.6
166.82657	0.3
184.07346	100.0
185.07693	0.4
449.04443	0.4
502.32819	0.7
520.33783	0.7
543.90448	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75920	0.4
55.05497	1.1
56.05025	1.1
56.22428	0.4
58.06599	1.4
60.08160	15.7
60.13475	0.4
65.82335	0.4
67.05505	3.6
69.07054	2.1
69.51717	3.3
71.07374	5.5
79.05472	1.7
81.07072	3.5
83.08617	0.7
86.09700	51.0
88.07616	0.5
89.06018	1.4
91.05453	1.1
93.07051	1.6
94.38953	0.5
95.08612	2.3
98.98461	3.5
104.10737	100.0
105.07024	3.3
107.08640	0.6
109.10170	0.6
119.10958	0.5
124.99995	25.6
144.40649	0.5
163.01468	0.6
172.95274	1.1
177.09837	0.7
184.07330	99.7
190.51387	0.5
190.96284	0.6
207.29616	0.5
258.11081	1.4
327.17538	0.8
337.27338	0.9
406.72110	0.5
458.52032	0.5
502.32794	6.9
520.33966	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	18.3
57.07059	8.6
59.04979	3.6
67.05167	3.0
67.05495	22.0
69.03442	8.2
69.07065	23.0
70.06581	9.3
71.05008	5.5
71.40684	9.4
73.02895	3.1
79.05482	21.4
81.03407	6.7
81.07051	58.3
83.04974	6.8
83.08600	16.3
84.08144	4.0
85.02892	12.4
85.06487	3.4
87.00838	5.1
87.04456	4.0
91.05477	18.2
93.07044	71.5
95.04955	11.8
95.08609	54.4
97.02899	6.7
97.10165	10.1
99.08052	4.0
105.01853	7.5
105.07030	39.7
107.04980	16.2
107.08595	100.0
109.02858	6.8
109.06520	6.9
109.10145	42.4
111.08075	4.6
113.33850	3.3
117.07002	14.7
118.06570	5.7
119.08578	19.2
121.10152	59.3
123.08069	8.3
123.11668	8.4
125.09615	4.4
127.03912	8.7
130.07787	3.2
131.08549	15.6
133.10121	12.7
135.11682	88.0
136.02359	3.5
144.09303	5.6
145.04980	4.9
145.10114	28.9
147.11681	28.0
149.09622	10.7
149.13245	15.5
159.11685	67.4
161.13258	10.6
162.09135	4.2
163.11145	17.6
163.14767	4.6
165.12843	16.1
167.14307	23.0
175.14790	4.1
177.12759	9.7
191.17958	53.4
201.16377	37.6
219.15527	3.7
219.17429	97.6
230.15318	6.1
231.04883	3.9
292.19107	17.6
292.51987	3.9
317.06494	7.7
520.20300	4.6
520.32751	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	520.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.9
55.05309	0.7
55.05510	7.9
57.03437	7.5
57.07065	0.7
58.06590	0.8
60.04517	1.1
60.08160	1.2
65.03914	1.3
67.05504	30.4
69.07069	9.4
69.53149	6.2
70.06573	1.2
71.05001	5.5
71.07355	1.5
79.05064	1.3
79.05490	17.2
81.07052	26.4
83.08605	2.6
85.06566	0.8
86.09712	5.3
87.10034	2.3
88.03973	3.7
88.07635	11.5
91.05476	7.8
93.07037	18.5
95.04972	1.5
95.08605	20.3
97.06535	1.2
98.20750	1.5
98.98471	3.7
101.25422	0.7
105.07018	3.6
106.05040	1.4
107.08585	8.1
109.10155	7.1
111.08120	0.8
117.06982	1.5
119.08556	3.1
121.10155	5.3
123.11678	2.0
124.93746	1.1
125.00006	6.3
131.08566	2.6
133.10121	2.5
135.11681	3.5
145.10097	1.5
147.11707	1.3
149.13312	1.7
155.01089	0.8
159.11673	1.4
184.07338	17.6
185.07722	5.9
186.05327	4.2
186.07747	3.1
190.67436	0.8
216.39879	0.8
261.22183	1.6
335.25793	100.0
336.26129	3.8
343.77914	0.9
401.03278	0.9
520.23761	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	520.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	6.6
57.03447	6.6
60.04525	2.0
65.03938	1.2
67.05508	27.8
69.07072	7.3
70.06599	1.4
71.04980	2.3
79.05073	1.1
79.05498	15.7
81.07063	26.6
83.04963	1.6
83.08615	2.4
88.03986	4.0
88.07639	6.4
91.05464	7.1
93.07047	17.3
95.04957	1.2
95.08613	18.2
97.06519	1.3
97.10120	0.8
98.98474	2.5
105.07037	4.4
106.05010	1.3
107.08588	6.6
109.10165	7.0
116.51405	0.6
117.06994	1.1
119.08595	3.0
121.10144	5.3
123.11705	1.5
131.08553	3.4
133.10106	2.1
135.11681	3.0
145.10141	1.2
147.11664	1.6
149.13298	1.6
151.11165	0.9
159.11693	0.9
161.13261	1.0
173.02080	0.8
173.13326	1.0
186.05261	2.2
219.53967	0.6
261.21994	1.0
310.36139	0.8
335.25812	100.0
336.26212	2.4
392.54422	0.7
520.23859	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.2
55.05496	10.4
56.05018	3.6
57.03443	5.0
61.02924	4.9
67.05488	10.9
68.17728	3.4
68.39103	3.4
69.03409	15.8
69.07053	14.7
70.06586	21.7
70.17781	10.1
70.18195	6.4
71.04984	4.2
72.08158	4.6
79.05484	12.9
80.05003	3.9
81.03402	13.6
81.07051	24.9
83.04971	7.5
83.08641	4.3
84.04485	3.7
84.08131	8.0
85.02896	22.0
86.09708	20.0
87.00818	9.6
87.04457	8.1
89.06017	17.3
91.05465	17.3
93.05785	3.3
93.07043	32.8
95.04954	9.8
95.06079	3.6
95.08580	15.7
96.08121	4.3
97.02885	7.3
97.06542	7.1
98.06021	4.3
98.97537	3.4
105.01838	16.3
105.07009	17.7
107.04948	100.0
107.08586	19.6
108.05305	25.4
108.08096	6.8
109.02871	5.7
109.06516	8.1
109.10139	12.8
110.09660	3.3
119.08584	14.5
120.08108	18.7
121.06487	6.8
121.10133	23.3
123.08060	4.5
127.03944	17.7
131.08554	7.3
133.06450	6.9
133.08607	6.0
133.10144	8.6
135.11652	8.5
136.07552	10.0
137.05945	6.8
138.06268	3.5
138.09177	3.7
145.04903	6.1
145.10091	12.6
147.11662	6.0
149.09676	3.9
149.13228	4.1
158.11755	6.2
159.07970	4.3
159.11676	13.0
161.05952	3.7
163.11124	6.2
166.08606	6.7
173.13164	4.5
191.17960	4.0
201.16351	11.3
209.12784	3.4
219.17464	24.5
231.05345	4.2
236.11649	3.9
237.10434	5.4
240.10818	4.0
247.08557	3.9
249.11140	5.5
250.11238	10.4
251.11829	8.4
263.11813	14.3
266.95523	3.4
279.11295	12.9
307.10806	7.5
309.12350	3.7
328.34116	3.8
355.12885	6.1
367.12833	7.3
373.18127	7.8
488.18274	6.1
520.20709	38.5
520.28589	4.2
535.23962	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	520.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57855	0.6
53.03949	1.6
55.05510	8.5
57.03188	0.7
57.03438	7.4
57.94818	0.6
59.52142	0.6
60.04510	1.0
65.03927	0.9
67.05502	30.6
69.07070	8.2
69.79483	4.5
79.05487	15.8
79.05881	0.4
79.53649	0.7
81.07052	25.0
83.04974	0.8
83.08613	2.6
88.03989	6.7
91.05463	8.7
93.07040	18.7
95.04958	1.9
95.08598	21.0
97.06512	1.6
97.10101	0.8
98.98470	5.1
105.07043	4.3
106.05016	1.9
107.08588	7.5
109.06506	1.3
109.10154	6.9
117.07040	1.6
119.08559	2.9
121.10123	5.8
123.11685	2.0
131.08546	3.3
133.10103	2.0
135.11714	3.9
145.10098	2.3
147.11679	1.3
149.13234	1.5
152.08363	0.7
159.11688	0.9
161.13219	1.0
163.14874	1.6
173.02115	1.5
173.13278	1.2
198.97366	0.9
200.00255	0.8
223.29298	0.8
261.22159	2.5
335.25778	100.0
336.26187	2.9
515.78448	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
54.34360	0.6
55.05511	7.8
57.03444	7.2
57.07062	2.3
58.11175	0.7
60.04513	2.1
65.03911	1.4
67.05502	41.5
69.07063	6.4
70.02914	0.7
70.06570	1.6
70.78976	2.0
71.04971	3.2
79.05065	1.2
79.05492	18.8
79.05952	1.1
81.07051	34.7
83.04964	0.9
83.08617	4.2
83.30893	0.7
88.03983	6.3
88.07624	7.8
91.05473	11.6
93.06477	1.6
93.07039	24.2
95.04958	3.1
95.08607	24.9
96.08934	0.9
97.06518	1.3
97.10157	1.8
98.98461	4.9
105.07031	7.6
106.05036	1.0
107.04876	1.2
107.08591	10.7
109.10151	9.0
111.08070	0.9
117.07034	3.8
119.08577	3.6
121.10140	8.1
123.08087	0.9
123.11693	3.0
129.05447	0.7
131.08574	6.0
133.10147	3.9
135.11674	4.4
137.13251	1.5
145.10117	4.1
147.11653	3.1
149.09639	1.1
149.13249	3.4
151.14873	0.8
159.11685	2.4
161.13239	1.8
163.14804	1.1
173.13206	1.9
175.14960	1.0
184.07387	1.2
186.05275	1.0
187.14810	1.5
220.28911	0.9
243.21107	2.9
261.22156	3.1
317.24722	2.5
335.25790	100.0
336.26028	2.1
345.88318	0.8
348.25388	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03561	1.0
53.03918	1.0
53.50997	1.0
55.05493	3.2
56.01319	1.0
56.05033	7.1
58.99576	1.3
60.04523	19.0
61.01137	4.1
61.11551	1.0
65.62576	1.0
67.97340	1.2
69.07065	7.4
69.64624	4.3
69.65034	3.4
70.02950	3.5
70.06589	39.2
71.06930	1.3
72.08153	9.6
74.06059	3.8
76.02215	4.4
78.01788	5.0
81.03403	2.9
83.04941	1.5
83.06092	1.6
84.04501	21.8
84.07706	1.2
84.08147	15.4
85.02899	1.7
85.04867	1.4
86.06056	1.8
86.09704	100.0
87.05568	1.4
91.05435	2.2
95.04966	1.2
98.06044	4.5
101.07124	2.7
102.05544	2.5
104.05320	8.0
104.10727	1.7
105.06587	3.3
107.04952	5.4
108.45231	0.9
110.07160	7.9
111.24267	1.1
112.08733	1.0
115.08678	1.6
115.64115	1.1
116.07073	1.3
119.08530	1.2
120.08104	6.2
122.05943	1.4
126.05512	1.9
129.10266	9.0
130.05005	25.5
131.04919	1.9
133.06520	6.5
133.07320	1.1
136.07556	4.2
139.12648	1.2
146.06296	4.0
147.07645	26.1
162.02138	1.2
164.01718	1.9
167.05626	1.4
169.06357	1.3
170.04472	3.4
170.09262	1.2
171.07622	2.0
173.12849	2.8
174.05780	1.3
174.09180	1.8
179.04839	3.4
181.04396	3.4
184.07309	4.0
187.10817	1.8
199.07169	2.7
201.12318	1.9
211.13467	1.5
213.12308	1.4
216.09764	2.8
217.08180	8.9
234.10843	33.6
235.05711	1.1
244.13098	1.3
260.02466	1.0
263.13809	1.3
287.14224	12.3
308.09039	1.8
308.31326	1.2
310.08908	4.0
329.18130	2.9
347.19324	3.7
374.17404	1.4
521.20770	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.01867	1.7
55.05513	3.7
56.05042	4.8
57.03425	1.1
58.99580	14.0
60.04499	0.9
61.01147	1.1
61.02914	0.9
62.35774	0.8
67.05165	1.2
67.05499	12.6
68.05008	1.7
69.03402	1.7
69.07050	3.7
70.02934	1.2
70.06586	6.8
70.58619	1.3
70.59023	1.7
71.04979	1.7
72.08139	1.6
73.01140	0.8
73.02908	0.9
74.00643	3.1
76.02225	32.6
76.03989	2.3
79.05495	8.4
80.04996	2.8
81.03406	2.4
81.07055	16.2
82.06570	1.3
83.04990	1.7
83.06084	3.1
83.08615	3.8
84.04507	11.6
84.08154	3.8
85.01120	1.6
85.02893	2.7
85.06523	1.1
86.00640	7.8
86.06059	1.6
86.09690	3.7
86.99046	4.0
87.02695	1.7
87.04449	1.4
88.02200	4.1
89.06002	1.4
91.05465	7.1
93.07043	11.6
94.06553	2.8
95.04960	3.3
95.06070	1.0
95.07369	1.2
95.08600	5.6
96.08119	1.3
97.01114	7.0
97.02878	1.3
97.06520	4.2
98.06009	1.4
99.02669	1.6
99.05571	1.8
99.08083	0.8
100.02187	1.2
102.05550	4.7
103.05450	1.1
105.07008	5.9
106.06545	1.0
107.04952	43.4
107.08578	6.0
108.05276	1.7
108.08157	1.7
109.06505	1.8
109.07708	0.7
109.10162	1.7
110.07137	0.8
110.09638	1.7
111.02675	5.5
111.08054	1.7
112.03954	1.1
114.03745	1.8
114.05488	1.0
116.01674	22.0
117.06999	3.0
119.08612	1.7
120.04436	1.4
120.08111	4.4
120.32787	0.7
121.06472	1.3
121.10142	4.2
122.24100	0.8
123.04314	0.7
123.11662	1.2
127.03880	1.4
129.06564	4.1
129.10226	1.0
130.04973	4.3
131.08545	5.8
133.06493	0.9
133.08585	1.0
133.10121	7.4
135.08043	1.0
135.11662	4.0
136.03911	0.8
136.07542	1.6
137.04222	1.3
137.05966	7.5
137.09547	1.1
138.09131	1.2
142.03252	3.7
143.02757	1.7
144.01154	9.9
145.04947	1.1
145.06116	2.1
145.10101	1.7
147.11685	2.3
148.07590	1.1
149.09639	1.1
149.13252	7.5
151.05798	1.1
151.11188	3.7
157.10187	0.9
158.11775	1.8
159.11671	5.3
161.05980	0.8
162.02196	22.1
163.11397	0.9
166.08652	2.6
170.02686	1.8
173.02466	0.8
173.13269	1.9
177.12750	4.8
179.04851	19.4
183.08380	1.7
183.11586	1.0
187.05385	1.4
189.03294	1.9
191.08890	1.2
194.15387	2.8
195.13823	10.3
204.06607	1.0
206.15407	1.2
207.11952	1.1
209.10001	0.9
212.16473	2.6
213.14871	3.4
215.04890	1.7
217.10522	1.5
224.14529	1.0
224.16548	1.1
225.09547	0.7
225.13039	1.7
226.12621	3.5
233.05905	2.9
235.11481	1.6
236.16586	1.5
241.12967	1.0
244.13660	2.7
245.05910	2.5
250.10805	1.4
251.04929	1.0
251.09239	1.9
251.11705	1.2
252.14073	10.2
252.16148	1.0
253.12595	2.6
259.09656	0.8
261.10223	1.0
263.11816	1.2
265.09790	1.3
270.14948	18.5
271.13535	0.9
279.11285	2.9
288.16272	15.9
291.37857	0.9
298.14743	1.1
308.09125	4.5
309.15582	1.0
312.12497	2.7
327.17313	1.4
339.13495	4.5
355.12927	1.7
355.16849	2.4
367.12897	3.4
370.06448	0.9
373.17911	100.0
374.18283	1.4
391.19095	3.9
393.17932	0.9
411.18604	1.6
414.25641	1.0
445.20105	7.0
488.18417	1.6
502.22577	3.7
503.20724	1.2
514.79236	0.9
520.21655	11.3
520.31415	1.6
521.21082	1.1
530.99103	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	1.0
53.03936	0.7
54.80732	0.5
55.05509	4.4
57.07071	31.5
59.04983	0.6
67.05486	3.1
68.56624	0.5
69.07061	100.0
70.04075	1.1
70.06591	0.8
70.07396	2.2
70.07841	6.0
71.59529	0.5
75.43519	0.5
79.05473	1.3
81.03428	0.6
81.07063	1.3
83.08621	0.9
87.04475	0.6
89.06035	2.4
91.05482	2.4
93.07060	1.3
94.04174	0.6
95.04973	2.0
95.08566	0.8
97.06541	0.6
99.00009	3.8
99.08084	1.3
99.47875	0.5
100.99730	1.9
103.03130	0.8
105.07039	2.0
106.07388	0.7
107.08598	0.8
109.10150	0.7
111.04427	1.0
112.99945	0.7
113.01568	1.7
114.03033	2.2
115.01238	1.3
115.07559	19.2
120.71960	0.5
121.06519	0.9
122.06036	0.5
126.99468	6.7
128.99153	5.0
129.01018	9.6
131.00717	7.0
133.08597	0.9
136.08710	0.8
138.10300	0.8
139.00581	1.0
141.01021	11.3
143.00708	8.3
148.08687	2.6
155.02551	5.3
157.02263	3.0
161.09671	1.1
162.10263	0.7
166.09744	3.1
169.04184	1.0
178.09818	0.7
185.43098	0.5
197.07274	35.9
198.07585	2.5
199.06960	29.3
199.08838	0.9
209.11928	0.9
220.14424	9.2
222.02426	0.6
225.06793	2.0
227.06546	0.9
234.02547	0.6
234.16112	2.3
235.16756	6.9
262.01904	0.8
266.97992	1.3
278.03455	0.7
288.09036	1.3
290.08612	1.2
306.10135	0.7
308.09882	0.8
316.08551	0.9
318.08298	0.8
327.12674	0.6
334.09610	2.1
336.09332	2.9
360.14862	2.3
362.16388	2.4
364.16061	0.7
378.15836	2.2
390.15942	1.3
392.15491	1.3
406.15097	2.8
446.08615	8.6
464.09531	29.3
465.10043	0.6
519.36987	0.7
520.15851	6.7
520.22412	4.2
520.87604	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	519.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.8
55.01860	1.9
55.02993	1.8
55.05515	3.2
56.05022	2.1
57.03416	2.6
61.02914	1.9
65.16444	1.2
65.86318	1.4
67.05508	9.6
69.03419	2.1
69.07050	4.2
70.06580	6.1
70.75166	2.9
70.75539	3.5
71.04989	2.1
72.08145	2.5
74.85491	1.5
79.05483	7.9
81.03403	5.1
81.07063	11.0
83.04951	1.3
84.08134	3.6
85.02899	4.4
86.09700	2.5
88.03968	2.7
91.03943	2.0
91.05469	6.4
93.07047	9.2
95.04956	5.4
95.08587	3.6
96.08154	1.5
97.02853	2.1
97.06503	1.6
98.03522	6.8
100.05094	21.2
105.07019	4.2
107.04952	91.0
107.08585	3.8
109.06501	1.6
109.10159	2.9
111.08041	1.6
115.05048	12.8
119.08585	2.4
121.06449	3.1
121.10126	3.4
122.09598	1.7
123.04434	1.7
124.07574	3.0
126.03002	14.1
127.03899	2.5
131.08540	1.8
133.10155	2.1
136.05080	2.6
137.05974	2.4
144.04018	5.2
146.06085	1.7
147.04379	9.0
149.13232	2.2
158.05603	81.3
159.11703	1.5
162.06627	1.6
163.03835	2.0
182.05647	2.2
195.94295	1.5
206.05589	5.2
217.07408	1.8
218.05634	20.9
245.07135	1.7
246.16060	9.0
264.09723	1.9
264.17062	16.1
267.09061	1.7
274.15466	4.3
276.13550	2.7
276.17004	11.4
283.06036	2.3
292.16449	3.5
294.18109	30.0
299.05905	1.9
302.14999	51.1
320.15982	36.0
334.17630	13.7
338.17084	3.4
352.18661	39.2
355.15610	1.5
370.19724	90.0
407.23904	2.0
413.20264	6.0
427.29947	1.5
471.58817	1.7
476.23926	100.0
477.23843	1.9
519.23035	9.2
519.31073	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.3
56.31261	0.3
56.96544	0.6
60.49008	0.2
67.05502	0.4
69.03416	0.5
69.08006	0.2
70.06586	2.7
71.04955	0.3
71.60267	0.3
72.08149	1.0
72.93835	0.3
73.02899	0.3
79.05499	0.5
80.05016	0.3
81.03413	0.9
81.07046	0.4
84.04488	0.6
84.08129	1.1
85.02890	1.2
86.09694	1.6
89.03918	0.3
91.03946	0.3
91.05487	0.9
93.07056	0.4
94.06514	0.3
95.04943	0.6
97.02860	0.5
97.06541	0.4
105.07012	0.4
107.04946	7.6
107.08559	0.3
108.05273	0.3
109.02862	0.3
110.07158	0.5
110.09694	0.4
116.98656	0.4
117.03355	0.8
119.04960	0.3
120.08125	0.5
121.06464	0.5
129.10226	0.4
134.99724	0.4
136.07570	0.5
137.05981	2.5
145.02829	1.7
147.04442	0.4
149.01257	0.5
149.05914	0.4
157.06435	0.3
161.05948	0.6
163.03954	0.5
166.08595	0.3
167.05557	0.5
167.06967	0.3
172.03989	0.6
175.07545	0.8
177.00742	0.3
177.05457	2.9
184.36304	0.2
187.07515	0.7
203.05305	0.7
204.06592	1.1
207.06535	0.4
219.06529	0.4
251.09163	1.9
259.07880	0.9
265.05371	0.4
283.06137	1.8
283.09048	0.4
283.15106	0.4
295.09662	0.3
297.11218	0.3
299.06253	0.4
301.09732	0.6
315.12332	0.4
325.16348	0.4
339.09167	0.3
357.14313	0.6
357.18622	2.6
403.48398	0.3
405.13144	0.3
459.22284	0.4
469.20398	0.4
487.21387	4.8
489.19162	0.3
501.23608	0.5
519.24127	100.0
520.24725	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	519.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
68.48460	0.3
70.06590	0.8
70.33215	1.0
72.08134	0.3
79.05475	0.6
84.08144	1.1
85.02903	0.5
85.33425	0.3
86.09696	1.7
95.97378	0.3
98.20780	0.3
107.04945	3.7
111.08120	0.3
120.08122	0.3
121.06458	0.4
129.04985	0.3
129.10252	0.4
133.06514	0.4
137.05991	1.3
161.06033	0.4
203.61533	0.3
210.06674	0.3
251.09297	0.3
261.62494	0.4
265.05356	0.7
283.06287	3.3
301.07437	1.0
321.11072	0.5
335.70142	0.3
339.08777	0.5
357.09769	0.5
357.18759	3.0
459.22098	0.9
487.21518	1.0
502.16324	0.4
519.24121	100.0
520.24536	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	519.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.9
55.05509	10.0
57.03193	4.2
57.03438	56.4
67.05505	22.6
69.07057	5.7
69.42307	28.6
69.42721	6.9
70.06588	9.8
79.05490	27.9
81.07056	21.7
83.08607	4.3
84.08127	6.9
85.06516	6.9
86.09701	7.0
91.05462	55.3
93.07021	24.4
95.04945	7.4
95.08600	14.2
97.06509	4.5
97.10149	3.6
98.98441	13.9
102.66103	3.5
103.05416	4.3
105.07016	27.7
107.04932	27.1
107.08569	11.3
109.06535	25.5
115.05518	5.0
117.07040	29.7
119.04970	5.7
119.08580	15.4
121.06470	5.8
128.06177	7.5
129.07022	22.4
131.08563	26.8
133.10124	13.3
135.08054	9.0
137.05977	4.3
137.09567	3.6
141.07028	5.9
143.08534	11.6
145.06546	4.1
145.10129	13.7
147.08026	16.2
157.10143	23.7
159.08006	4.5
159.11703	9.9
161.09589	10.6
167.05534	6.4
171.11681	8.7
173.02066	4.0
173.09618	5.9
173.13297	9.0
175.11171	8.2
181.10165	4.9
183.11665	17.8
199.14790	7.0
201.12773	16.7
217.15913	17.0
237.16336	7.4
255.17393	12.0
273.18546	27.3
279.87939	3.9
287.89853	3.5
291.19452	5.7
299.06125	7.6
347.22186	100.0
347.91885	3.7
351.90411	3.8
359.02972	4.0
369.52881	3.4
489.16891	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	518.324
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.7
58.06595	0.5
60.07883	0.4
60.08168	5.9
62.01652	0.4
67.05467	0.5
70.78294	1.0
71.07382	3.2
71.44883	0.4
74.76573	0.3
81.07040	0.4
86.09708	30.6
89.26198	0.4
93.07034	0.3
93.94074	0.3
98.98470	3.3
104.10734	3.3
109.10133	0.4
110.36891	0.4
125.00010	22.7
184.07349	100.0
185.07689	0.5
218.85045	0.3
427.56760	0.4
433.87204	0.4
460.17612	0.4
500.31659	0.7
518.32336	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40001	11.2
60.08157	13.3
63.44797	9.0
64.10322	7.5
66.93194	8.5
71.58806	9.1
75.74064	7.3
86.09705	28.0
91.73709	7.6
104.10767	51.4
104.11321	9.1
121.80574	11.3
125.00021	23.0
175.78236	8.2
184.07347	100.0
196.40643	9.3
240.36319	8.5
240.84579	8.1
308.76837	9.5
356.34647	8.8
518.32007	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	518.324
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	1.6
58.06593	1.4
59.60669	0.7
60.08164	16.4
67.05494	1.9
69.07078	0.7
70.03370	1.9
70.03787	1.2
71.07376	7.9
79.05475	1.2
81.07070	1.5
86.09706	51.0
87.77977	0.8
91.05508	0.9
93.07043	1.8
95.08625	2.1
98.20879	1.1
98.98470	4.8
104.10744	98.5
119.08577	0.9
125.00005	27.9
142.93507	0.6
176.05934	0.6
184.07341	100.0
185.07635	1.4
224.15398	0.6
258.10992	1.0
311.99893	0.7
330.98077	0.7
390.37952	0.7
440.89053	0.6
500.31454	8.8
518.32404	18.4
519.33014	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	5.4
56.05030	3.7
57.03432	6.7
57.07076	31.1
58.06607	1.4
60.08158	9.0
62.06096	1.5
67.05510	9.3
69.07062	9.3
69.66490	2.0
69.66894	6.5
71.07375	11.5
71.08635	20.4
79.05483	2.6
81.07049	10.3
83.08637	5.9
85.10189	10.8
86.09708	82.4
89.06038	3.3
93.07053	2.0
94.06602	2.0
95.08614	11.2
97.10169	4.0
98.98476	4.0
104.10745	25.4
107.08601	2.1
109.10162	7.0
123.11706	2.1
125.00009	21.2
146.98183	87.9
158.31187	1.1
161.09584	1.3
164.99261	2.7
167.05495	1.4
184.07349	87.4
188.00871	2.8
257.24646	1.7
257.33298	1.1
262.25397	7.7
313.27362	30.4
313.30716	2.1
413.34174	2.6
439.32135	2.0
456.48425	1.3
459.24841	100.0
460.25140	2.4
482.36404	1.5
500.31335	2.2
518.32178	47.0
518.39661	2.6
519.32922	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.6
56.05032	1.0
57.03446	1.1
57.07082	4.9
58.06592	0.9
60.08167	5.1
67.05509	1.0
69.07069	1.5
70.31026	1.0
70.31391	2.2
71.07385	4.3
71.08618	2.9
81.07037	2.7
83.08633	1.3
85.10173	1.7
86.09707	20.5
89.94025	0.5
95.08588	2.2
104.10744	100.0
105.11053	0.7
109.10171	1.3
125.00034	1.4
146.98174	10.1
184.07356	5.9
193.93344	0.5
262.25311	1.1
313.27335	4.9
314.91318	0.5
321.22849	1.1
354.71756	0.6
383.16522	0.6
459.24835	49.9
460.25256	1.8
475.21451	1.1
496.34326	0.8
518.32214	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	518.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58201	0.7
53.03934	2.3
55.01870	0.9
55.05506	8.8
57.03440	8.9
57.07075	1.2
59.76867	0.7
60.04520	4.3
62.78141	0.8
65.03922	1.0
67.05177	1.1
67.05507	18.7
69.07067	9.3
70.06601	5.5
71.04996	13.0
71.18464	0.7
71.59519	0.9
75.63807	0.8
78.50285	0.7
79.05494	25.4
81.03406	0.8
81.07061	16.0
83.08616	2.2
86.09708	2.3
88.03973	3.3
88.07634	30.4
91.05476	25.1
93.07043	26.1
93.25036	0.8
95.04967	4.5
95.08604	13.7
97.06519	1.9
97.10164	1.7
98.98462	2.8
103.05460	1.0
104.10747	1.2
105.04542	0.8
105.07037	20.8
106.08657	2.8
107.04959	1.9
107.08601	11.3
109.06534	1.1
109.10160	4.4
111.08089	1.1
111.77734	0.7
117.07008	5.2
119.08585	14.8
121.10140	8.5
123.11683	0.7
125.00008	0.8
128.06180	0.8
129.05516	1.8
129.06995	2.6
131.08585	8.0
133.10124	9.9
135.08092	1.0
135.11714	4.9
137.09724	1.0
143.08542	2.7
145.10109	4.3
147.11688	5.5
149.13268	1.8
157.10149	3.1
159.11691	2.8
161.13264	3.5
163.14796	1.1
171.11691	4.3
173.13239	1.6
175.14909	1.8
184.07448	4.3
185.07852	1.5
185.13298	2.1
186.05302	3.7
217.19542	1.4
241.19498	4.1
259.20508	4.1
299.06192	1.2
315.23267	2.3
333.24243	100.0
334.24524	2.6
375.26517	0.7
508.30530	0.9
519.29382	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
55.01862	5.2
55.05511	10.5
57.03436	9.9
57.07066	2.5
60.04513	5.8
60.08153	4.8
62.47188	1.4
65.18800	1.2
67.05177	2.7
67.05504	33.8
69.07071	9.1
70.06583	6.2
70.94790	3.3
71.04990	10.1
71.07391	2.5
73.02888	2.2
79.05063	2.4
79.05495	32.4
81.07054	30.2
83.04993	1.5
83.08598	2.9
84.08128	2.1
86.09217	2.0
86.09707	25.4
87.10033	7.9
88.04005	8.4
88.07633	25.0
91.05477	38.3
93.07044	36.0
95.04996	7.4
95.05499	1.4
95.08605	21.8
97.06483	1.9
97.10181	2.3
98.98467	10.1
99.08113	2.2
103.03939	2.1
103.05466	1.8
104.10750	10.1
105.06378	2.7
105.07027	28.4
105.11100	2.6
106.04991	3.1
107.04994	3.1
107.08591	9.8
108.17072	1.4
109.10123	5.9
113.09560	1.6
117.07037	8.7
117.70740	1.5
119.08590	20.8
121.02753	1.4
121.06487	1.5
121.10131	10.1
123.08063	2.4
123.11679	2.9
124.99984	13.2
126.00370	1.6
127.00373	3.2
128.06136	1.7
129.05507	7.8
129.06979	8.1
131.08566	10.1
133.10126	11.1
135.11685	7.3
137.09550	2.2
143.08566	3.3
145.10107	6.4
147.08121	2.1
147.11694	9.6
149.09576	1.5
149.13272	3.1
157.10109	6.9
159.11696	4.4
161.09650	2.8
161.13235	14.5
163.14801	4.9
171.11697	12.6
173.02090	2.4
173.13258	3.0
175.14807	5.8
184.07344	55.6
184.09007	2.9
185.07687	20.1
185.13245	3.5
186.05267	3.1
186.07785	13.2
187.14757	3.0
196.10974	6.3
199.14859	2.7
210.12325	1.6
211.84145	1.4
217.19501	5.9
231.21184	2.3
241.19547	22.3
243.21091	7.3
259.20645	7.5
299.05994	2.6
315.23059	2.8
333.24240	100.0
334.24609	2.9
356.13312	1.7
387.20505	2.4
433.38629	1.4
518.34631	5.0
519.29010	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	518.253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58051	0.6
53.03934	0.9
55.01864	0.8
55.05518	2.5
56.05019	0.8
57.03438	2.7
57.21373	0.5
60.04528	0.6
60.07885	0.8
60.08163	9.9
61.08486	1.7
67.05505	8.0
69.07067	2.9
70.06594	0.9
71.07368	3.8
71.59384	0.7
72.07735	1.2
72.08148	0.5
79.05493	7.1
81.07064	6.1
83.08624	1.0
84.08101	1.0
85.06567	0.5
86.09705	39.7
87.09474	1.0
87.10030	10.2
88.04009	2.5
88.07613	1.0
88.10367	0.7
91.05470	8.7
93.07050	7.7
95.04969	1.5
95.08608	4.5
97.06522	0.7
97.10176	0.5
98.98464	7.1
100.98879	0.7
104.10751	4.1
105.07043	6.2
105.11077	1.1
106.05051	0.8
107.04942	1.1
107.08574	3.4
109.10152	1.3
115.05503	0.5
116.99487	0.5
117.07008	2.2
119.08584	6.0
120.08243	0.5
121.10146	2.1
125.00002	27.4
126.00365	4.2
127.00423	5.1
129.05461	1.9
129.06995	1.6
131.08574	2.8
133.10127	3.6
135.11696	1.5
143.08586	1.2
145.10089	1.6
147.11673	2.1
149.13269	0.9
152.92006	0.6
157.10156	1.6
159.11681	1.3
161.13254	2.0
163.14830	1.2
163.35283	0.6
167.05644	0.7
171.11652	2.8
173.13263	0.9
175.14821	1.7
184.07343	100.0
185.07700	39.6
185.13213	1.4
186.07793	26.2
197.38554	0.6
217.19597	2.5
231.21133	0.8
241.19495	3.9
243.21217	1.1
259.20593	3.4
299.06174	0.7
333.24228	18.7
334.24533	0.8
413.80466	0.6
434.82532	0.5
455.92194	0.5
500.30997	0.7
518.32465	1.7
518.33777	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	2.8
57.07072	33.2
58.06578	0.9
63.30578	1.0
67.05476	3.1
69.07062	100.0
70.06562	2.3
70.07834	5.8
70.22334	0.8
70.29722	2.6
71.08610	2.1
73.06487	1.0
79.05449	0.9
81.07050	0.9
86.09737	0.8
89.06026	6.0
91.05430	1.9
92.00259	0.7
94.04160	0.9
95.08548	1.0
99.00007	5.5
103.03177	0.9
104.07613	0.8
105.07049	1.8
108.08015	0.9
108.11454	0.8
111.04398	1.4
113.00009	1.6
113.01504	3.2
115.07568	5.9
119.08523	0.9
122.05992	1.8
126.98756	0.7
126.99465	8.3
129.01025	15.2
133.08560	1.5
136.07539	2.8
139.00423	1.0
141.01004	18.3
155.02583	8.8
161.09573	1.1
176.08173	1.4
178.15848	3.9
179.46346	0.7
190.09721	1.0
194.09230	6.8
197.07277	36.2
206.15266	1.2
220.14381	1.6
222.08604	3.0
224.06696	0.8
224.16360	2.9
225.06659	1.0
235.16760	1.8
237.10994	1.6
238.11819	0.8
250.11815	2.1
274.15384	1.6
278.11337	2.0
294.17990	1.1
302.14520	1.0
334.17520	11.8
339.17697	2.1
390.23566	1.8
391.24481	1.7
414.18845	1.1
462.11548	1.1
462.17883	12.1
486.21460	12.1
518.23859	95.6
518.37885	3.2
519.24207	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.2
55.05507	6.9
56.05043	6.5
57.03428	2.9
58.99588	22.0
60.04528	4.5
67.05505	6.3
69.03416	2.6
69.07054	8.2
69.35661	10.0
69.36095	10.3
70.02953	3.6
70.06592	82.0
71.06929	3.5
72.08148	20.3
73.01132	2.0
74.00661	10.3
74.06093	3.9
76.01827	4.5
76.02229	59.2
76.04007	3.3
79.05498	13.7
81.03436	6.7
81.07051	7.4
83.04980	6.2
83.06096	5.6
83.08604	3.5
84.04504	36.8
84.08142	28.4
85.02894	6.0
85.04044	2.5
86.09703	58.3
86.99074	11.4
87.05591	2.5
88.02218	3.0
88.04001	2.9
91.05462	33.7
91.55406	2.3
93.07031	11.0
95.04969	7.3
95.08617	4.4
96.04525	2.9
98.01364	2.2
98.21471	3.8
99.05590	3.8
102.05506	3.4
105.07034	40.3
105.49790	2.3
107.04958	16.5
107.08625	6.2
109.06527	7.6
110.07162	9.4
115.08611	2.9
116.01678	50.9
119.04944	2.2
119.08583	17.6
120.08101	24.5
121.06492	2.4
125.06023	3.0
129.06685	3.8
129.10246	11.2
130.04985	8.6
131.04933	2.6
131.08571	9.9
132.08008	2.3
133.06497	5.0
133.10135	88.3
136.07532	12.1
137.05963	6.1
141.10245	2.7
142.03200	7.4
143.08467	2.7
143.11804	3.4
144.01140	22.5
145.06284	4.7
145.10085	3.8
146.06004	3.4
147.11673	21.2
148.88321	2.5
150.59853	2.7
151.07538	3.5
151.11153	8.5
153.06505	3.2
155.06946	3.1
157.06470	3.1
157.10083	3.1
160.07469	2.7
162.02203	100.0
170.02667	3.9
173.09453	4.2
173.62276	2.9
175.11166	17.3
177.03281	2.5
177.07303	3.7
179.04871	38.8
184.07297	6.2
193.12245	58.0
205.06796	4.5
211.13338	5.7
233.05916	7.5
233.09505	3.2
234.20232	2.4
245.05865	3.4
250.12613	5.2
251.10841	3.8
254.23897	2.5
268.13773	6.6
278.11780	3.1
286.14740	32.2
296.13141	9.6
308.09134	13.2
308.12552	3.5
339.11615	2.6
346.05606	2.3
354.13309	2.7
371.16217	9.1
372.14835	14.8
389.17480	15.2
408.55707	2.2
416.88684	2.6
443.18262	13.8
495.19250	2.6
500.20633	3.7
518.21454	4.3
519.17432	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
55.01869	2.3
55.05263	1.2
55.05510	15.1
57.03439	5.0
57.07072	14.0
59.21673	1.0
62.24726	1.2
65.03942	1.6
67.05502	31.5
69.07065	29.7
69.82644	1.0
70.04066	3.8
71.04990	1.9
71.08628	1.8
71.59801	1.8
71.90250	1.0
79.05050	1.7
79.05488	21.5
81.07053	34.7
83.08618	9.2
84.48379	1.0
85.06548	1.7
89.06012	2.5
91.04956	1.9
91.05472	22.5
93.07037	28.6
95.04964	4.1
95.08601	30.5
97.06524	4.1
97.10158	4.3
99.08079	2.9
105.07024	27.1
107.08593	20.9
109.06487	2.1
109.10152	14.4
110.03521	2.1
111.08034	2.6
112.99994	8.9
115.07563	1.8
117.07001	9.3
117.13864	1.0
119.08575	24.2
121.06444	1.7
121.10133	15.8
123.08055	4.2
123.11680	3.5
125.09634	2.4
129.01059	1.5
129.06978	4.2
130.07780	1.9
131.08562	19.3
133.08588	1.3
133.10115	19.6
135.08003	2.2
135.11700	9.9
136.07680	1.1
137.09570	1.6
137.13168	1.2
141.01010	6.4
141.06903	1.1
143.08549	6.7
145.10112	16.5
147.11687	14.2
148.08678	2.5
149.09607	2.3
149.13281	7.1
151.11148	1.0
155.02602	3.5
157.10091	7.2
159.11684	14.7
161.13261	6.1
163.14801	3.2
168.32996	1.1
169.00609	1.5
169.10110	2.1
171.11729	6.9
173.13245	11.2
175.14816	4.4
177.12700	1.2
179.14339	3.4
181.93304	1.0
183.11720	2.6
185.13261	5.0
187.03696	1.6
187.14830	5.4
189.16338	1.5
191.14441	1.1
195.11647	1.0
197.07307	6.2
197.13316	1.6
199.14857	4.6
201.16452	2.7
213.14679	1.6
213.16483	2.0
217.15985	1.4
219.17438	2.2
220.14432	33.1
225.06746	1.2
225.16451	3.0
226.88002	1.2
234.16040	4.0
235.16777	23.6
237.99719	1.2
241.17827	2.8
259.20660	2.5
273.22406	1.3
285.22174	1.2
287.23636	2.0
299.23770	2.6
301.25317	1.4
305.24408	1.2
309.67743	1.1
313.25244	2.2
315.26849	1.4
317.24472	1.7
327.26810	2.1
329.24789	1.5
331.26404	5.3
333.24533	1.4
343.26407	1.6
361.27405	1.7
362.16492	2.3
387.28696	1.4
405.30191	8.3
407.28101	2.2
407.33157	4.1
419.31799	1.3
425.34155	13.7
443.35239	5.9
481.37183	1.4
499.37958	19.8
517.38855	100.0
518.15973	12.6
518.39423	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3885
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
51.02384	1.0
53.03948	1.6
55.01849	1.9
55.05505	17.6
57.03438	5.7
57.07060	4.4
64.09190	0.9
65.03931	1.7
65.27327	1.0
67.05499	35.9
69.03421	1.1
69.07063	18.4
70.04076	5.1
71.04975	1.7
71.08609	1.4
79.05487	24.2
81.07049	38.2
83.04965	3.4
83.08616	9.5
83.12441	0.9
85.06544	2.2
89.06034	2.6
91.05470	22.9
91.06007	1.8
93.07035	31.8
95.04948	2.8
95.08601	28.3
95.09230	1.1
97.06516	3.6
97.10162	4.1
105.07022	27.2
107.04921	1.2
107.08584	22.8
109.06538	1.9
109.10151	13.8
111.08095	1.7
113.00029	6.0
117.06988	9.8
119.08572	23.0
121.06518	1.5
121.10133	19.3
123.08095	3.0
123.11709	5.1
125.09622	1.4
129.07001	6.0
131.02797	0.9
131.08557	20.4
133.10112	21.4
135.08051	1.7
135.11661	9.5
137.09616	1.4
137.13251	1.5
141.01015	10.6
141.06993	2.0
143.08539	4.7
145.10107	16.1
147.11682	14.0
149.09601	2.0
149.13243	6.7
152.47902	1.2
155.02573	1.0
155.08575	2.0
157.10132	6.1
159.11693	14.1
161.13298	7.5
163.14803	2.8
164.76387	0.9
165.12723	2.1
169.10143	3.8
171.11679	7.2
173.13245	12.2
175.14816	5.0
177.16423	1.2
179.14323	2.6
183.11690	3.5
185.13208	5.2
187.14780	6.1
189.16406	3.3
191.17940	1.1
197.13293	2.7
199.14825	4.4
201.16347	2.6
207.05663	2.0
211.14809	1.8
213.16446	2.7
215.18074	1.5
219.17470	1.6
220.14236	1.0
225.16302	1.2
227.16187	1.2
231.17404	1.1
239.87741	1.0
241.17751	2.2
259.20612	4.3
261.21729	1.2
271.20566	2.4
273.22104	2.4
275.20230	1.1
287.23846	2.1
289.21732	1.6
313.25333	2.1
315.23199	1.4
325.25235	1.4
327.26913	1.9
329.24673	1.3
331.26227	3.4
333.24164	1.9
343.26505	1.2
345.28250	1.9
391.28604	1.2
405.30099	5.4
407.28342	1.1
407.32758	4.7
419.31924	1.2
425.34064	13.6
440.67963	1.2
443.35010	6.8
461.36536	2.5
499.37823	17.1
500.38138	1.1
505.85349	1.1
517.38861	100.0
518.39148	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	517.337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	12.1
56.60131	2.4
57.03435	5.1
57.07076	4.9
60.08169	14.2
62.46354	2.3
67.05506	41.0
69.03428	3.6
69.07074	15.9
71.07364	6.7
71.59682	4.4
72.68867	2.5
72.69294	2.5
79.05502	15.7
81.03394	2.4
81.07056	41.9
81.15885	2.7
81.99424	2.5
83.04974	2.6
83.08600	9.6
85.02914	3.9
86.09705	45.0
91.05461	13.3
93.07034	20.0
95.04960	4.2
95.08599	31.3
97.06536	6.1
97.10135	5.4
98.98463	6.2
104.10740	43.6
105.07021	11.5
107.08573	11.5
109.06540	3.5
109.10164	17.4
113.00010	6.5
117.07014	2.8
119.08569	7.1
121.10137	11.4
123.08092	3.8
123.11678	5.1
124.99989	27.5
131.08516	4.2
133.10110	4.4
135.11670	5.0
137.13280	4.0
145.10155	2.6
147.11685	5.9
149.13351	6.5
161.13255	5.8
163.14790	4.0
165.16438	3.1
175.14815	5.0
177.12691	3.6
184.07335	100.0
189.16313	3.4
191.87596	2.8
245.22617	16.8
263.23672	19.1
289.18024	3.4
331.26251	5.3
337.27350	20.4
405.29965	9.1
499.32339	2.8
518.32263	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	517.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01860	1.3
55.05508	3.1
57.03456	1.9
58.04225	0.8
58.87007	0.7
61.02919	14.9
62.03263	0.9
67.05495	2.7
68.05023	0.8
69.03423	6.4
69.07092	1.0
70.06590	9.4
70.66022	2.8
71.05000	1.4
72.08154	78.3
73.02914	8.3
79.05482	1.3
80.05015	26.6
81.03408	3.4
81.07069	2.3
83.08598	1.0
84.04505	1.2
84.08149	2.5
85.02899	12.9
86.09705	2.6
87.04465	1.6
89.06033	6.9
91.03944	7.9
91.05450	1.6
93.07037	1.4
94.06572	4.9
95.04972	1.4
97.02882	9.5
97.06512	1.1
97.10191	1.3
99.04439	1.5
101.02351	1.1
105.07047	1.5
106.06546	0.9
107.04951	7.2
108.08135	1.0
109.02887	1.1
120.08112	3.2
121.08871	1.0
122.06031	2.3
122.09672	9.3
127.03905	3.4
128.10692	0.8
132.08092	2.4
133.08633	2.6
134.09653	29.5
134.10661	1.8
135.10428	0.9
136.11220	1.3
137.05975	1.7
144.08086	0.9
145.05017	1.1
146.09656	2.0
148.11195	5.4
160.11147	1.5
174.12793	2.9
176.14282	0.9
177.11253	1.0
192.13828	21.8
194.15359	0.8
198.11360	1.2
228.17442	1.1
234.15059	1.1
244.17076	2.0
246.18530	32.6
258.18588	0.9
263.21164	8.8
264.19553	3.6
269.10797	1.0
284.18521	7.3
286.20270	1.2
288.19745	1.2
305.22281	1.1
315.14651	0.9
336.21826	2.3
337.24771	1.4
338.23242	20.8
350.23325	2.3
355.25903	81.5
356.25873	0.9
367.26007	1.9
371.23273	0.9
379.25720	0.9
379.75317	0.8
380.24524	1.5
397.27008	8.0
445.26840	1.7
446.25201	1.7
463.27896	6.7
464.26749	4.0
481.29044	9.0
482.27591	1.8
499.30261	5.0
500.28275	2.5
517.31158	100.0
518.32281	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01873	2.4
55.05507	9.3
57.03429	5.4
57.06825	0.8
57.07075	10.6
59.25080	0.8
62.24398	0.7
65.03925	0.9
67.05504	14.6
69.07065	38.2
69.95717	3.9
70.07838	1.6
71.04988	1.4
71.08625	5.4
79.05489	8.8
80.62287	1.0
81.07049	19.2
83.04942	0.9
83.08616	5.0
85.06528	1.8
91.05489	8.8
93.07044	11.6
95.04967	2.9
95.08601	14.0
97.06528	3.5
97.10172	2.3
98.20816	1.2
99.08099	3.3
105.07025	11.2
107.08575	11.4
109.06505	11.6
109.10139	4.7
111.08108	2.2
113.00011	100.0
115.07580	2.0
117.07013	2.2
119.08576	14.0
121.06509	1.1
121.10146	7.1
122.07286	0.9
123.08070	21.8
123.11719	2.6
125.09618	1.6
126.99477	2.7
129.01035	4.3
129.07025	1.1
131.01060	1.0
131.08554	4.4
133.10127	10.0
135.08047	14.7
135.08990	1.5
135.11687	2.4
137.09613	2.8
141.01013	6.0
143.08562	1.3
145.10115	5.1
147.11671	7.3
149.09641	3.8
149.13269	3.4
155.02573	1.5
157.10080	1.0
159.11710	3.6
161.09625	2.2
161.13300	2.4
163.11226	1.2
165.09148	0.8
165.12730	2.0
167.14267	2.0
169.02620	1.9
171.11710	0.9
173.13304	1.9
175.14795	10.3
177.12772	3.4
177.16393	1.8
179.11911	1.6
179.14301	33.7
187.03656	16.4
191.14339	2.0
193.12335	1.2
193.15866	1.1
197.07251	9.6
205.15858	5.6
219.17351	1.0
223.47420	0.8
229.14336	0.9
231.15903	0.9
233.19025	1.6
250.59489	0.9
263.17526	2.0
263.20090	3.1
271.20538	1.2
275.20099	4.0
289.21616	11.1
291.19293	0.7
293.10406	1.0
293.21201	1.9
303.26746	4.6
313.25443	1.5
319.22824	1.6
331.26288	56.6
332.26776	1.7
333.10031	3.9
338.10312	3.8
347.25839	1.7
349.27328	10.3
369.28012	2.2
375.28796	3.0
387.28918	8.2
390.17160	3.4
391.16852	0.9
405.29968	82.4
406.30447	1.1
423.30862	1.1
499.28342	2.8
517.16614	31.5
517.29254	5.4
517.34973	1.1
518.17102	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.9
57.75124	0.5
60.04527	0.8
60.68716	0.6
70.06593	6.7
70.37117	2.3
72.08158	3.6
74.06100	0.9
75.05589	1.5
79.05486	0.7
84.04528	3.1
84.08145	4.2
85.02933	0.8
86.09692	4.2
87.05620	1.0
87.06702	1.8
101.07181	0.6
102.05541	1.4
107.04959	39.3
110.07175	1.3
120.08090	1.3
120.43481	0.5
129.06598	0.8
129.10252	2.3
136.07654	0.6
141.06648	0.6
143.05647	100.0
152.03500	0.6
152.52744	0.5
155.05678	1.2
173.38962	0.6
186.08784	3.2
213.16150	0.6
249.09840	24.7
250.10187	0.6
250.21045	0.6
285.15598	1.2
305.10941	3.3
355.14102	1.1
411.15115	17.3
450.09253	0.7
466.95740	0.5
517.18945	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
71.21492	28.7
85.02856	12.4
94.75240	9.7
103.02427	14.5
119.01931	96.8
131.01891	33.4
131.04477	11.8
137.02950	22.4
143.01883	37.0
145.03481	95.6
145.05110	13.5
146.03665	12.6
155.01894	47.9
157.03474	27.7
161.02936	56.0
163.04494	17.8
171.01357	23.6
173.02963	100.0
177.02486	42.8
185.02989	12.7
189.02443	30.5
191.03926	11.7
203.04074	26.4
204.24815	12.4
217.01930	92.6
219.03458	20.7
229.01952	16.7
233.05000	16.5
235.03015	68.6
247.02979	25.4
263.06064	53.8
277.04086	31.6
316.60870	10.7
337.06253	77.6
520.13794	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.8
56.05017	0.6
56.96554	2.5
60.04515	1.2
60.98328	0.8
68.72964	0.6
69.03421	2.7
70.06591	3.2
70.78384	1.3
70.78716	1.2
70.95835	0.7
72.08166	0.9
72.93787	1.7
73.02899	0.9
74.06074	0.8
74.66742	0.7
74.97610	0.7
76.03979	0.8
79.05491	1.5
81.03397	1.6
84.04516	0.7
84.08146	1.1
84.96008	0.8
85.02901	4.8
86.06029	0.9
86.09689	0.8
90.94818	1.6
91.05459	1.3
95.04957	5.9
97.02888	2.3
97.07652	1.0
98.97565	2.3
107.04944	100.0
108.05247	1.4
109.02871	1.3
114.06664	0.9
115.05048	1.1
115.08691	3.7
116.98627	2.1
120.08074	1.0
123.04420	15.4
127.03887	0.8
128.98607	2.4
132.95833	5.3
132.98062	1.9
132.99420	0.7
134.99614	1.5
143.05630	7.6
144.95824	0.9
146.06012	1.7
146.99635	1.4
148.07579	1.2
150.96863	4.2
150.99121	4.5
156.95892	0.8
158.97368	4.0
162.05490	1.3
162.96893	1.5
162.98349	1.2
164.07066	1.0
168.95879	1.2
169.00203	1.5
170.99638	1.3
174.96918	1.0
175.08763	0.8
176.98459	1.9
178.97888	9.3
180.99455	3.0
181.01686	1.1
185.07147	0.9
186.96896	1.5
189.06639	0.9
190.96368	2.7
193.00186	2.3
194.97363	0.7
196.95067	0.7
196.98985	7.5
197.00725	1.0
198.96870	1.8
201.00624	1.3
203.00079	0.7
203.08177	1.2
204.08766	0.7
205.01711	0.7
208.99684	2.0
212.98412	1.0
214.96385	1.0
216.97955	4.6
219.01804	3.7
220.99013	1.4
221.09216	1.2
232.22952	0.6
234.98972	30.8
235.99223	0.7
236.98451	1.9
237.02733	7.8
249.00468	1.1
252.99998	6.0
254.99747	0.7
255.99663	0.7
258.00650	1.0
267.08652	6.9
275.02097	1.1
276.99997	1.8
277.02380	2.2
285.37357	0.7
292.99500	35.8
295.03125	11.6
305.10965	1.4
313.04562	0.7
323.02023	5.3
334.02390	0.8
337.14041	0.9
351.03461	1.3
355.14868	1.2
373.12695	2.8
383.06458	9.1
411.14923	1.3
441.10391	0.8
469.12485	0.7
517.20490	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.5
56.05031	0.4
58.06613	0.4
60.08159	7.3
67.05503	1.0
71.07375	3.4
71.58918	0.4
71.59397	0.7
78.72836	0.3
79.05493	0.8
80.31708	0.3
81.07046	0.8
86.09704	33.1
91.05485	0.7
93.06998	0.4
94.83944	0.4
95.08561	0.6
96.22056	0.4
97.10165	0.3
98.98469	3.5
104.10748	3.6
112.63203	0.4
119.08594	0.6
125.00002	22.3
127.82450	0.4
143.01067	0.6
145.71912	0.3
155.58806	0.3
184.07339	100.0
185.07654	0.8
498.29526	0.9
516.30756	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14212	0.7
53.03932	1.1
56.05024	0.8
56.96566	5.8
57.03445	0.9
59.03727	0.8
60.04514	1.3
61.78703	0.6
69.03397	1.5
70.01331	0.6
70.06591	5.6
70.95863	0.9
71.04961	0.7
72.08152	1.8
72.93793	1.2
73.86710	0.8
74.06068	1.2
74.97603	1.7
75.49902	0.8
79.05495	0.8
81.03403	1.5
83.06110	0.9
83.08619	0.6
83.29875	0.7
84.04489	1.3
84.08131	1.9
84.96005	0.7
85.02901	4.0
86.09699	3.8
87.05568	1.7
90.94834	0.9
91.05470	1.6
95.04963	4.5
95.69759	0.7
97.02903	1.3
97.07671	0.7
98.97565	5.9
99.04435	0.8
99.05611	0.8
102.05560	0.9
107.04952	100.0
108.05299	1.4
108.95855	0.8
110.07160	1.2
110.97557	0.9
114.06641	1.7
115.05056	1.3
115.08670	4.3
116.98628	5.0
119.04979	0.8
120.08076	1.0
123.04420	11.4
128.96080	0.8
128.98615	2.7
129.10220	1.6
132.95831	4.7
132.98105	1.7
134.99652	2.7
137.05997	0.9
143.00168	1.0
143.05608	1.3
144.95894	1.7
146.06017	1.6
146.99664	2.2
148.07571	0.9
150.96887	3.8
150.99176	6.6
152.98615	0.9
158.97365	3.4
158.99608	0.8
161.01242	1.2
162.96840	1.0
162.98291	1.2
164.07140	0.8
166.87816	0.7
169.00220	3.0
170.99669	2.0
174.96909	1.2
175.08771	0.8
176.98476	2.3
177.00706	1.2
178.97870	6.7
180.99449	2.5
181.01772	1.1
185.04047	0.8
186.96902	2.7
189.00714	1.6
190.96381	1.5
193.00241	4.6
196.98997	5.3
197.01135	1.0
198.96945	1.6
201.00800	1.0
203.08231	1.0
204.08684	0.8
205.01590	1.0
208.99719	3.5
211.01271	1.2
216.98038	3.7
216.99944	1.1
219.01721	6.5
221.09204	1.9
229.00215	0.8
234.99002	27.1
236.98561	2.1
237.02809	13.0
239.02356	0.9
249.00371	1.7
253.00067	4.3
255.04015	0.9
258.00687	0.9
267.03598	0.8
267.08545	4.5
275.02151	2.0
276.99765	1.2
277.02588	3.7
279.09070	1.5
288.16644	0.7
292.99496	31.8
295.03204	13.9
297.09879	1.1
318.04974	1.1
323.01901	5.7
334.02267	1.3
351.03699	2.2
355.18695	2.0
373.12906	2.1
383.06461	15.5
395.10330	0.9
441.14835	7.2
532.28320	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04348	1.4
55.01865	2.2
55.05509	6.0
57.03435	5.6
57.07072	2.1
60.08147	3.1
65.03960	1.6
65.69030	1.9
67.05507	35.4
69.07065	5.2
70.06612	2.5
70.10712	7.7
78.91826	1.6
79.05492	16.2
80.56898	1.7
81.07063	31.6
83.05014	2.7
83.08631	3.2
86.06097	1.4
86.09711	9.6
91.05497	10.2
93.07048	17.8
95.08614	22.5
97.10172	2.1
98.94484	1.6
100.96230	1.4
104.10746	9.0
105.07013	4.3
107.08607	9.0
109.10168	6.1
117.07034	2.4
119.08600	4.9
120.96645	71.7
120.97526	4.0
121.10184	5.4
123.08105	2.0
123.11744	2.7
125.00011	2.8
131.08597	5.7
131.13179	1.7
135.11728	3.5
138.97665	2.8
145.10167	3.6
145.99759	4.5
157.37547	1.5
159.11717	1.6
160.90495	1.6
163.14806	1.7
164.00845	58.6
173.13303	2.3
176.99287	1.7
184.07338	21.5
195.00359	6.3
200.01782	3.2
248.69888	1.7
252.72345	1.6
335.25793	23.6
357.23965	21.1
375.25208	8.3
393.25952	1.8
400.22650	1.9
455.21692	100.0
456.21814	2.3
472.17935	1.7
473.22067	1.8
475.36993	2.0
498.25919	57.2
499.26422	3.0
516.26685	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	516.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61400	0.6
55.01869	0.9
55.05490	1.8
56.05021	3.0
57.03433	0.7
57.98785	1.0
58.99295	1.3
58.99583	21.4
60.08135	0.6
61.01140	1.3
67.05504	1.9
69.07065	8.1
69.36321	4.1
69.36739	2.2
70.06589	13.1
71.04985	1.8
72.08153	3.9
74.06085	0.7
76.02225	87.3
76.03981	3.7
79.05492	7.7
80.05051	0.8
81.07042	1.5
83.04966	2.0
83.06097	2.2
84.04503	25.5
84.07731	0.7
84.08144	5.7
86.06074	0.7
86.09704	9.2
86.99047	6.7
88.02216	1.8
91.05489	5.2
93.07045	8.1
95.04967	3.9
97.06507	1.4
98.21581	1.0
99.04452	0.8
102.05516	1.1
103.05421	1.0
105.07028	5.9
107.04953	7.7
107.08599	6.3
107.37754	0.7
109.06512	1.4
110.07156	1.8
116.01673	30.6
117.07001	2.1
119.08588	4.4
120.08105	1.9
121.06498	7.4
121.10140	8.0
123.04468	0.8
123.08077	1.0
124.99995	1.2
125.05997	2.0
127.08725	0.8
129.06580	1.5
129.10233	2.4
130.04994	7.4
131.08568	17.1
132.10060	0.6
133.06421	0.8
133.10144	1.0
135.04343	1.0
135.08054	1.4
135.11694	2.6
141.05482	1.6
142.03218	7.5
143.08572	1.0
144.01147	16.7
145.06403	1.1
145.10126	8.3
147.08049	1.9
149.09619	11.5
153.05475	7.6
153.06621	1.2
159.09114	0.8
161.09578	1.2
162.02199	48.4
163.11197	11.3
165.09117	1.2
170.02679	2.0
173.09595	0.9
179.04851	100.0
184.07295	4.4
187.05386	2.0
189.09041	1.8
191.10674	8.1
207.08380	0.8
207.10210	1.8
209.11714	28.2
210.12178	1.0
215.04788	1.5
216.19421	0.7
223.11327	0.9
233.05913	12.5
245.05933	4.1
249.09465	0.8
266.31580	0.7
267.10507	1.0
284.13113	8.6
291.06473	1.3
308.09082	6.9
341.02072	0.7
369.14767	7.5
387.15631	1.3
441.16785	4.2
461.73941	0.7
484.37637	0.8
516.20221	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	515.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.4
55.05507	15.5
56.36934	2.8
57.03403	3.2
57.07064	7.4
67.05494	54.9
69.07063	22.0
71.04976	4.6
71.59366	6.1
79.05489	42.6
81.06623	4.8
81.07053	37.1
83.04964	8.5
83.08603	5.4
90.78796	2.9
91.05474	33.7
93.07043	64.7
95.04960	7.4
95.08610	24.5
97.06510	7.4
97.10143	5.8
105.07016	26.0
107.08570	23.5
109.06494	3.3
109.10129	10.4
117.06998	9.5
119.08566	20.0
121.10134	14.6
131.08585	17.6
133.10069	15.9
135.11667	34.1
143.08542	3.5
145.10091	16.2
147.11719	6.3
153.12733	3.7
155.08528	3.9
157.10095	6.6
159.11662	9.5
163.06845	3.0
163.11212	6.3
169.10199	4.0
171.11633	4.9
173.13245	9.2
181.12193	4.3
185.13213	3.5
195.11668	4.8
197.13188	3.4
199.14859	4.4
217.85735	3.4
261.22159	3.5
392.02820	3.5
423.32166	9.5
431.85406	3.9
497.36279	5.4
515.37323	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.8
55.05498	20.1
57.03424	4.1
67.05498	79.7
69.03418	7.8
69.07056	21.8
69.34286	44.8
71.01346	5.0
79.05496	56.7
81.03393	7.4
81.07059	100.0
83.08603	11.5
84.51699	4.3
85.02892	6.8
91.05481	42.8
91.80657	4.3
93.07049	63.9
95.04949	5.4
95.08598	79.0
97.21432	4.6
105.07022	30.1
107.04932	6.7
107.08596	45.6
109.06496	6.3
109.10158	38.5
111.08096	4.9
117.07021	14.0
119.08585	32.1
121.10147	37.2
123.11716	17.2
129.07036	7.4
131.08562	26.1
133.03642	4.9
133.10127	13.9
135.11708	29.6
137.13251	5.8
143.08528	6.7
145.10143	19.3
147.11708	20.0
149.13249	19.9
159.11690	28.8
161.13252	12.5
163.11224	5.5
163.14857	12.8
173.13306	21.4
177.12732	7.2
177.16383	6.4
184.07367	12.6
185.13312	5.0
187.14824	14.8
213.00024	5.8
214.57426	5.0
237.64815	4.8
243.21169	25.2
261.22147	84.9
272.05609	5.0
303.23132	4.9
327.23328	5.2
335.25772	11.0
353.26828	16.5
419.54810	5.0
486.13336	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	515.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	28.5
57.03422	14.0
63.70078	7.3
67.05505	92.3
69.03413	25.4
69.07063	19.5
79.05482	50.1
81.03412	8.9
81.07059	100.0
83.08610	13.1
85.02868	12.0
86.09749	7.9
91.05470	52.5
93.07050	63.4
94.76274	9.2
95.04942	23.5
95.08604	73.6
97.02894	8.5
98.20778	15.3
99.08159	10.7
105.07037	34.2
107.08582	39.8
109.02969	8.3
109.06522	8.9
109.10174	38.0
117.07001	12.7
119.08578	33.7
121.10157	27.9
123.05553	56.0
123.11720	8.4
124.99905	9.2
129.06911	10.5
131.08530	39.0
133.10104	23.6
135.11691	35.7
143.08527	14.7
145.10092	26.2
147.11674	14.4
148.21147	9.1
149.13293	22.2
159.11702	22.4
161.13283	12.4
172.95213	15.5
173.13263	16.8
177.12753	8.0
184.07362	21.9
190.96188	9.0
243.21034	14.4
261.22171	67.2
303.23026	10.4
353.26825	19.2
354.98505	8.6
389.95496	8.3
392.87488	8.5
467.68829	8.3
472.18457	25.0
497.31161	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	515.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.05503	20.3
57.03420	9.4
57.07071	8.3
61.02901	7.3
64.92957	3.1
67.05504	88.5
69.03429	6.2
69.07070	25.2
69.50597	20.0
69.51000	10.1
71.04961	3.8
73.02915	4.8
79.05491	56.9
81.03397	6.2
81.07054	100.0
83.04979	6.1
83.08607	14.0
85.02894	10.6
91.05473	35.8
93.07040	65.9
95.04974	17.3
95.08598	74.8
97.02896	6.0
97.06522	10.5
97.10179	4.9
99.08087	7.4
105.07021	31.9
107.04942	8.4
107.08579	40.4
109.06504	8.2
109.10153	35.0
117.07009	13.4
119.08581	27.0
121.06515	6.5
121.10145	37.1
123.08035	5.0
123.11673	16.9
125.09637	3.6
129.07018	5.9
131.08566	33.9
131.36345	3.6
133.10124	20.3
135.11705	22.3
143.08575	9.2
145.10141	21.7
147.11696	11.3
149.09636	6.0
149.13272	15.8
151.14706	4.2
155.08583	5.2
157.10188	8.7
159.11670	18.5
161.13240	10.5
163.14796	11.3
169.10098	7.3
171.11630	6.0
173.13208	19.2
175.14737	4.2
177.12752	4.2
187.14706	7.9
189.12877	4.8
191.14543	3.5
201.16418	4.8
227.12714	5.7
243.21091	18.8
261.22122	54.1
335.25772	20.3
338.33328	4.2
353.26791	11.0
423.32205	3.8
454.64447	3.9
461.67181	3.9
515.37732	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00121	5.9
50.43658	5.9
50.84330	6.4
52.41361	7.2
55.01856	9.3
55.05500	23.9
55.49923	6.7
55.51086	6.1
56.96577	9.7
57.03447	12.7
57.07067	7.4
61.02923	8.2
67.05511	71.6
69.03436	10.8
69.07067	21.9
69.49285	42.5
69.49689	16.2
71.04996	8.8
73.02935	9.4
79.05489	52.6
81.03407	9.1
81.07056	88.7
83.08633	11.2
85.02912	17.2
86.09723	8.4
91.05487	36.1
93.07034	59.2
95.08611	76.9
97.02907	11.9
98.97527	8.4
105.07028	25.1
107.08601	25.8
109.06538	7.1
109.10181	31.6
116.98625	11.6
117.07024	12.3
119.08584	26.7
121.10172	33.1
124.99966	9.3
131.00160	8.5
131.08577	12.0
133.10129	14.7
135.11699	21.1
145.10152	15.9
146.99683	7.8
147.11722	12.3
149.01257	33.1
149.13255	12.4
154.94293	8.3
156.03609	24.1
159.11781	17.0
161.13260	9.3
167.02271	10.5
167.54514	12.0
172.29088	6.8
172.95201	9.8
173.13246	15.9
184.07373	16.0
191.02284	8.2
228.05739	8.9
228.55859	7.7
243.21146	8.6
261.22141	28.7
277.13828	17.5
277.64075	11.6
303.23480	7.6
335.25824	10.5
345.24213	12.7
353.27087	9.9
358.16388	81.0
358.66553	100.0
359.16873	30.5
419.27802	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	515.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01609	0.7
52.87513	0.5
54.57802	0.6
55.17208	0.5
63.11132	0.6
69.90000	3.5
98.21494	0.7
117.14353	0.6
192.79608	0.6
282.08615	0.7
435.83499	0.8
446.00970	0.6
515.31921	100.0
516.32117	2.7
538.55902	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.2
55.01835	0.4
55.05471	0.1
67.05473	0.3
69.57306	0.9
70.04044	0.1
70.06548	0.5
79.01342	0.1
79.05482	0.1
81.03409	1.0
81.06995	0.2
83.31528	0.1
84.04430	0.2
84.08083	0.2
85.02861	0.2
86.09641	0.5
90.17673	0.1
91.05420	0.1
93.07015	0.2
95.04922	0.3
97.02862	0.1
97.06466	0.1
98.21519	0.1
99.04450	0.1
105.06980	0.1
107.04933	0.9
109.02233	0.2
109.02876	2.1
115.05489	0.1
120.08085	0.2
121.02808	0.3
123.04429	0.6
127.03854	0.4
129.06963	0.3
131.04855	0.4
133.02728	0.2
133.08812	0.1
133.09967	0.1
137.02328	10.9
141.06918	0.4
143.04904	0.3
143.11710	0.2
147.08025	0.1
149.02365	0.2
149.05908	0.4
151.03900	0.3
153.06944	0.2
157.06451	0.3
161.02321	0.2
161.05910	0.1
163.03886	0.2
167.03339	0.2
169.06487	0.8
171.04398	0.8
173.05806	0.2
175.03964	0.1
177.01807	1.9
177.03276	0.2
181.06447	0.2
185.05956	0.8
189.05402	0.5
191.03529	0.1
195.02873	10.3
196.03238	0.1
197.05952	1.4
199.03902	1.2
205.04941	0.2
207.04404	0.2
215.06998	0.2
217.04910	1.2
225.05464	2.5
227.03316	0.3
243.06558	0.3
243.10786	0.1
245.04568	0.2
253.04939	2.3
255.02811	0.1
267.08896	0.1
271.05896	0.5
273.03790	0.2
281.04410	0.4
299.05258	0.1
309.03873	0.1
327.04950	100.0
328.05292	1.9
335.20654	0.1
409.21002	0.1
419.07449	0.2
420.07861	0.5
421.09131	46.2
422.09381	1.0
515.13354	3.8
515.28058	1.5
516.12842	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35062	0.1
55.05503	0.2
56.05034	0.8
57.03434	0.2
58.06630	0.6
59.07389	0.2
60.08166	7.2
64.14703	0.1
67.05505	0.3
69.07070	0.1
69.26881	0.1
69.27290	0.9
70.06599	0.7
71.07377	3.5
72.08129	0.1
77.12180	0.1
79.05492	0.3
81.07067	0.3
84.04509	0.2
84.08139	0.4
86.09708	34.5
87.10033	0.2
91.05493	0.5
93.07040	0.2
93.97271	0.1
95.04936	0.1
95.08619	0.1
98.21533	0.2
98.98467	3.5
99.77697	0.1
104.10044	0.2
104.10743	3.9
105.07023	0.4
107.04951	0.3
107.08621	0.1
109.10136	0.1
116.99512	0.1
117.07053	0.2
119.08585	0.2
125.00009	24.6
129.06998	0.1
131.08560	0.2
131.16071	0.1
133.10149	0.2
143.01050	0.4
145.10141	0.1
163.01579	0.1
174.60619	0.1
184.07347	100.0
185.07762	0.5
208.76384	0.1
258.11069	0.2
331.22858	0.1
496.28485	0.8
514.29346	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08964	0.1
55.05508	0.3
56.05038	0.8
57.03420	0.1
58.06634	0.5
58.60759	0.1
59.07402	0.2
60.08166	7.4
65.03944	0.1
67.05500	0.3
70.06598	0.9
70.09993	0.6
71.06977	0.3
71.07375	3.7
72.08157	0.4
73.42583	0.1
74.44919	0.1
79.05495	0.5
81.07063	0.2
84.04484	0.1
84.08149	0.5
86.09708	33.8
87.10023	0.3
90.76757	0.1
91.05495	0.7
93.07044	0.2
95.04966	0.2
95.08604	0.2
98.98468	3.6
104.10748	3.3
105.07050	0.5
107.04973	0.5
108.31305	0.1
110.07158	0.2
117.07069	0.1
120.08100	0.2
125.00008	23.6
127.95863	0.1
129.06961	0.2
129.10249	0.2
131.08516	0.2
133.10135	0.1
143.01007	0.6
163.01700	0.1
184.07344	100.0
185.07674	0.7
202.61920	0.1
258.11172	0.2
263.67123	0.1
347.64941	0.1
496.28720	0.7
514.28772	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.7
54.27382	1.3
55.01869	2.0
55.05506	5.3
56.75383	1.4
57.03432	3.7
61.02907	3.1
67.05506	10.1
69.03417	3.4
69.07059	2.3
70.06600	6.6
70.90692	4.6
71.04980	2.8
72.08145	4.0
76.02204	1.9
79.05495	6.4
81.03410	100.0
81.07054	9.2
83.04967	3.6
83.08608	26.6
84.04498	1.9
84.08135	2.8
85.02895	3.1
86.09698	5.0
91.03887	1.4
91.05473	13.7
93.07025	7.7
95.04958	28.3
95.08574	4.2
97.02876	4.6
97.06529	2.5
98.06066	1.5
105.07010	10.8
107.04947	18.7
107.08587	3.9
109.06528	2.8
109.10146	2.7
111.04432	2.4
111.08063	13.1
119.08563	13.0
121.02831	1.7
121.06480	1.9
121.10162	4.6
123.04406	2.2
123.08014	1.7
129.07011	8.0
131.08566	7.6
133.06503	3.9
133.10136	6.5
142.07730	2.2
145.47882	1.4
147.08092	2.6
147.11642	8.7
149.09618	6.4
152.07059	2.3
157.10091	10.3
175.11183	12.2
179.04929	2.3
183.94608	1.4
193.12225	87.9
211.13289	8.2
213.12720	1.6
215.35767	1.5
224.24010	1.5
235.13326	3.3
259.13318	2.0
267.15894	52.5
280.28067	1.5
285.16940	92.6
309.16885	7.9
313.11826	5.5
323.12408	1.7
332.81091	1.5
373.14133	8.4
393.18991	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	514.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.4
53.14435	2.1
55.05498	5.3
55.06051	2.2
57.03434	4.1
66.77078	1.8
67.05492	10.0
68.09073	1.8
69.03417	2.9
69.07059	3.6
69.41164	18.5
70.06595	11.1
79.05482	8.0
81.03412	100.0
81.07048	9.2
83.04949	5.7
83.08615	27.6
84.08144	4.0
85.02889	3.3
91.05467	13.0
93.07029	5.2
93.09344	2.0
95.04959	29.7
95.08575	3.0
97.02889	3.6
97.06538	2.6
105.07060	10.0
106.41010	1.9
107.04953	16.6
107.08605	2.9
111.08083	14.7
115.05482	2.2
117.07010	2.0
119.04967	2.1
119.08589	13.8
121.06462	2.2
121.10122	3.0
123.04391	2.5
129.06996	7.1
131.08568	9.8
133.06450	3.1
133.10118	4.6
140.53957	1.8
142.07811	2.2
147.08014	3.6
147.11679	10.3
149.09639	8.3
157.10114	13.2
175.11168	15.9
182.08031	2.9
193.12225	75.5
194.12634	3.4
211.13297	6.2
235.13176	4.2
259.13440	3.6
267.15921	44.9
285.16937	93.8
286.17230	2.7
301.14532	2.6
309.16876	7.8
351.18552	2.2
373.13727	4.1
375.18103	3.1
435.68533	2.3
460.77539	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.8
61.02925	2.7
67.05507	4.2
69.07056	4.3
69.42637	5.8
69.43058	7.6
70.06592	6.1
73.02908	2.0
73.19781	1.6
79.05504	4.1
80.05029	2.4
81.03421	3.5
81.07045	7.2
83.08669	1.9
85.02903	5.0
86.09698	3.1
89.06008	1.7
91.03965	2.2
91.05462	10.9
93.07044	4.9
93.84476	1.6
95.04950	3.6
95.06084	7.2
95.08612	8.4
97.06508	2.0
97.10175	1.8
103.05459	1.8
104.10731	1.7
105.07018	5.0
107.04948	47.4
107.08599	3.1
109.10155	8.2
119.08585	1.8
121.06501	40.1
121.10143	7.5
123.08089	3.2
123.11720	7.9
127.03922	3.2
129.07011	2.2
135.08092	1.6
135.11627	3.0
137.23564	1.7
149.05974	100.0
151.07510	4.6
155.08406	1.4
159.08035	1.6
161.05959	2.9
161.09656	1.9
162.10258	2.2
163.07571	3.5
167.07027	10.7
174.10292	4.7
175.07481	1.8
175.11154	1.7
177.05461	82.3
187.07501	2.5
189.09105	41.9
191.07120	1.9
195.06520	53.5
195.08208	3.5
198.09015	1.8
207.10269	2.9
215.10710	3.0
233.08147	4.0
235.09636	53.6
266.16400	2.9
271.16901	10.9
273.73074	1.6
299.16461	15.9
302.18600	10.5
317.17383	12.7
408.22964	11.8
413.33795	1.8
470.12836	4.6
496.16730	3.6
514.11511	12.2
514.26770	23.6
515.10901	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	514.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.4
57.07072	0.9
67.05508	4.8
69.07070	1.2
70.06570	1.3
71.08663	0.8
79.05495	4.4
79.70901	0.8
81.07061	3.7
84.04501	0.9
85.78697	0.8
86.02251	0.8
86.09693	2.4
91.05495	6.2
93.07032	4.5
95.04914	0.9
95.08598	3.2
105.07021	3.6
107.04926	0.9
107.08572	1.7
110.02647	0.8
117.07013	1.6
117.75682	0.7
119.08568	3.1
120.96643	7.7
121.22182	0.8
124.99959	1.0
126.58930	0.7
129.06999	1.3
129.85458	0.8
131.08595	1.1
145.10158	1.6
145.99762	1.2
147.11691	1.1
156.48216	0.8
159.11639	1.1
164.00842	1.5
171.11705	1.3
176.99234	2.9
184.07336	5.6
195.00339	6.4
196.10912	1.0
200.01712	1.2
239.26367	1.0
241.19525	1.4
244.52664	0.9
246.85289	0.8
262.94763	0.8
333.24234	1.6
355.22330	3.3
373.23416	3.4
391.24561	1.7
435.19110	19.9
436.19620	1.0
453.20120	100.0
454.20496	0.9
471.21060	1.5
496.24307	26.8
514.24365	4.3
514.31805	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	514.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.4
55.05506	25.6
58.99579	14.1
61.01136	1.1
65.90447	0.5
67.05483	1.1
69.07076	1.1
70.02953	0.5
70.06589	5.4
72.08136	1.4
73.01138	1.4
73.02901	0.7
76.02214	4.5
76.03985	3.3
79.05489	2.0
81.03401	1.0
81.07046	1.2
83.06097	1.7
83.08613	41.3
84.04508	6.5
84.08128	1.5
85.01119	0.7
85.02898	0.8
86.09700	2.6
86.99043	11.1
88.02208	3.2
90.88255	0.6
95.04947	2.4
99.05574	2.1
101.09635	2.8
105.00091	1.3
107.04948	68.2
107.08593	1.3
113.04282	0.7
115.05778	1.0
116.01667	57.5
120.08098	0.9
128.77657	0.6
129.06561	4.4
129.07361	1.2
129.10251	0.7
130.04956	3.1
136.07487	0.7
141.07285	0.9
142.03210	4.2
144.01132	29.8
145.06052	1.5
153.06526	0.7
159.07014	1.1
159.08379	30.6
162.02188	100.0
169.78383	0.6
170.02675	1.5
176.11049	3.8
181.06116	0.8
205.08971	1.7
244.10014	1.4
245.05621	0.6
262.11060	63.6
263.11224	0.8
263.20898	0.6
279.13718	46.2
295.61148	0.6
315.13647	1.0
333.14777	18.9
336.32776	0.6
345.14746	1.2
390.16937	1.2
391.15097	1.0
408.17908	27.3
432.04102	0.7
487.13754	0.6
514.22266	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	17.3
57.07074	8.7
67.05501	25.4
69.07069	12.1
69.33108	16.3
70.06566	2.0
71.04977	3.6
71.08616	6.9
71.60619	1.5
79.05491	19.4
81.03417	1.8
81.07059	26.8
83.04964	3.0
83.08603	6.7
85.10181	1.9
87.04478	1.7
88.07638	2.3
89.06033	9.0
91.05475	22.0
93.07039	19.6
95.04956	4.2
95.08607	14.9
97.06505	3.7
97.10149	4.4
98.20690	3.1
103.05450	2.2
105.07029	33.6
105.80600	1.5
107.04972	10.0
107.08596	13.7
109.06480	1.5
109.10161	5.2
113.77871	1.6
117.07016	9.6
119.08572	17.3
121.06481	3.1
121.10109	5.7
123.08080	2.6
128.06175	3.8
129.06999	10.8
131.08560	17.0
133.08606	4.9
133.10126	10.7
135.07983	1.5
135.11676	6.6
141.06981	5.2
142.07785	3.3
143.08569	17.3
145.10106	19.1
147.08081	2.3
147.11674	6.0
149.13245	2.0
155.08493	7.2
156.09406	2.5
157.10112	19.3
159.11678	14.3
161.13329	2.3
165.07002	2.6
167.08543	4.1
168.09355	2.0
169.10100	12.5
171.11685	12.7
173.13249	9.4
175.14928	1.6
177.11287	2.6
179.08479	1.7
181.10088	3.3
183.11661	11.5
185.13284	10.3
193.10115	2.1
195.11703	4.8
197.13274	7.0
199.14899	5.4
207.11800	1.9
209.13289	4.0
211.14835	4.8
213.16423	2.6
223.14792	3.5
225.12817	1.8
225.16328	3.1
237.16374	2.5
249.16431	2.1
259.20468	2.1
261.18427	1.7
287.20026	1.6
309.22247	2.2
316.71085	1.5
329.25092	1.7
356.31180	1.8
403.29846	7.0
403.91455	1.5
421.31033	17.6
439.32077	6.3
457.33051	5.4
495.34708	8.7
513.35760	100.0
513.50793	6.0
514.36273	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	513.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65009	5.3
53.03932	8.1
55.01869	12.4
55.05520	35.9
56.05053	4.3
57.03423	23.6
57.07078	6.2
61.02922	29.1
65.03884	4.2
67.05170	8.1
67.05502	91.5
69.03419	30.1
69.07074	36.5
69.26754	53.1
70.06566	4.3
71.04984	8.5
71.08629	14.9
73.02910	13.9
79.05496	75.4
81.03416	25.8
81.07054	99.8
83.04990	11.1
83.08624	21.5
85.02904	36.1
91.03959	15.3
91.05484	55.7
93.07039	100.0
95.04962	14.9
95.08604	55.3
97.02888	38.1
97.06550	16.7
97.10197	6.6
99.08089	17.4
101.02390	5.8
105.07032	43.6
107.04939	7.8
107.08594	51.8
109.02888	13.4
109.06533	8.1
109.10141	26.0
111.04495	5.3
117.07024	16.9
117.89780	4.4
119.08574	27.5
121.10145	42.6
123.08074	5.1
127.03918	21.0
128.27724	5.6
131.08582	22.3
133.10095	23.9
135.11710	28.2
137.09598	7.0
139.11177	6.7
143.08543	11.5
145.05037	6.1
145.10130	17.9
147.11699	25.5
149.13239	13.4
151.11234	8.3
157.10173	7.4
159.11690	18.9
161.13284	19.7
163.11111	5.4
163.14751	5.1
171.11722	13.0
173.10698	6.1
173.13254	9.3
175.14835	9.5
177.12709	5.5
179.14305	39.1
199.14844	7.2
229.14363	5.6
241.19670	7.3
255.57253	5.3
256.07251	8.2
259.20526	22.0
277.21616	50.2
333.24478	5.8
351.25262	53.7
423.74530	5.0
513.31238	38.3
513.50555	10.0
523.25433	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.4
53.40759	3.6
55.01869	17.0
55.05511	36.5
56.96564	3.6
57.03428	27.8
57.07070	16.4
58.11412	3.4
61.02913	11.2
67.05502	100.0
69.03421	5.8
69.07064	32.2
70.06596	7.4
70.33184	9.2
70.33578	7.0
71.04991	5.4
72.08139	7.8
73.02900	11.9
79.05490	42.6
81.03425	13.9
81.07054	68.8
83.04958	10.9
83.08604	19.3
85.02905	17.7
85.06536	4.6
86.09668	4.7
87.04480	4.2
89.06025	23.1
91.05470	35.1
93.07042	36.7
95.04973	8.2
95.08606	27.4
97.02882	3.7
97.06542	12.1
97.10162	19.1
103.03893	4.4
105.07023	24.2
107.04972	6.3
107.08599	33.2
109.10154	62.3
111.08083	8.0
116.04697	6.9
117.07014	12.3
119.08570	16.3
121.06533	4.0
121.10139	15.1
123.11700	4.4
125.09632	19.5
127.03875	5.0
129.05496	35.8
129.06993	7.0
131.08575	11.9
133.08568	9.7
133.10112	10.2
135.11682	9.8
143.07079	6.5
143.08528	7.2
145.10075	9.0
147.11667	5.0
149.13293	8.3
157.10115	9.3
158.97646	7.9
159.11708	10.2
165.12776	3.9
173.11761	13.3
185.11768	6.2
195.13858	10.2
197.13464	4.1
217.07568	5.3
229.07480	9.2
229.14325	32.8
243.15707	4.6
247.08636	6.1
269.10538	4.6
269.17462	13.6
285.26666	3.8
311.92578	4.6
360.31372	3.8
361.31558	4.8
416.37363	4.1
423.27411	13.5
513.29669	13.2
513.37085	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	513.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.5
55.01875	2.6
55.05507	11.2
56.96560	1.8
57.03426	6.5
57.07065	2.2
57.20244	1.5
61.02927	18.8
67.05498	28.4
69.03430	9.3
69.07063	9.8
69.53033	12.6
71.01339	3.0
71.04990	2.1
73.02907	7.9
79.05486	33.7
81.03401	9.0
81.07053	33.3
83.04977	3.2
83.08609	6.6
83.96795	1.5
85.02897	16.7
85.06542	3.1
87.05967	1.5
91.03965	8.3
91.05469	33.8
93.07040	42.6
95.04951	7.9
95.08606	24.7
95.50975	1.6
97.02876	12.6
97.06558	3.2
97.10155	2.6
98.18217	1.4
98.20744	3.5
101.02381	2.3
102.62718	1.5
105.07022	39.7
107.04957	6.7
107.08583	26.0
109.06461	2.6
109.10159	9.7
111.08081	3.4
115.05451	2.7
117.07008	12.1
119.08574	32.7
121.06518	3.2
121.10136	22.4
123.08043	4.0
123.11742	2.8
125.09568	1.8
125.83728	1.5
127.03889	3.7
128.06284	1.8
129.07013	10.2
131.08557	21.6
133.10130	29.2
135.08005	1.7
135.11697	17.2
137.09613	3.2
142.07736	2.1
143.08551	8.6
145.10107	21.3
147.08057	1.8
147.11670	31.6
149.13257	12.3
151.11179	1.7
155.08545	4.3
157.06534	2.3
157.10165	9.5
159.08034	2.8
159.11667	16.7
161.09636	1.6
161.13242	26.3
163.11105	3.9
163.14845	5.7
167.08594	1.7
169.10110	3.4
171.11699	12.9
173.09697	2.0
173.13287	11.2
175.11258	2.9
175.14789	10.2
177.12790	3.1
183.11626	3.7
185.13190	10.3
187.14813	3.8
189.12784	2.9
195.08000	1.6
195.11705	2.6
197.13353	2.9
199.11122	2.4
199.13057	2.3
199.14828	5.7
203.14326	1.9
211.38678	1.7
213.12779	2.1
217.08743	2.4
229.14407	2.1
231.17471	2.5
231.21062	2.7
241.19487	20.1
257.19125	2.4
259.20572	52.1
259.23358	2.7
259.71176	1.7
261.08923	1.5
271.20462	3.7
275.20285	1.9
277.21661	3.4
283.20602	2.0
301.21503	4.1
308.72983	1.7
335.02689	1.7
349.23706	6.3
351.25256	100.0
357.24017	2.1
363.25375	4.8
367.22583	4.6
385.23676	4.5
417.26376	2.1
429.26297	2.2
441.26297	6.2
459.27222	6.9
477.28391	7.2
495.29504	9.1
513.30774	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.8
55.01856	4.0
55.05519	13.9
57.03429	6.1
57.07066	3.4
58.19794	3.0
58.23632	3.1
61.02929	19.5
67.05231	3.1
67.05509	37.5
69.03420	9.2
69.07053	12.7
70.06575	5.0
71.04988	5.9
71.59495	6.2
73.02919	5.5
74.63239	3.0
79.05489	37.1
81.03400	9.2
81.07047	41.4
83.04992	4.1
83.08588	7.6
85.02896	13.0
85.92923	2.6
88.61673	3.1
91.03926	4.4
91.05480	33.1
93.07038	49.0
95.04936	8.8
95.08611	22.1
97.02883	11.4
97.06554	3.3
97.10183	5.4
97.67554	3.2
105.07021	34.0
107.04941	13.5
107.08591	28.3
109.02853	2.9
109.10162	15.6
111.08088	3.1
117.07035	12.0
118.06560	4.0
119.08583	31.8
121.06490	6.4
121.10129	25.8
123.11670	3.2
125.09612	4.2
129.06998	6.6
131.08553	17.8
133.10124	31.9
134.99564	2.7
135.08040	3.4
135.11717	25.1
141.06944	3.3
143.08521	8.0
145.10138	19.5
146.05983	8.1
147.11690	27.8
149.13266	16.6
157.10147	6.4
159.11674	13.5
161.13231	21.8
171.11646	7.8
173.13210	9.2
175.14824	8.6
183.11653	5.2
185.13301	5.7
188.07060	7.1
199.14790	5.8
200.21552	3.2
213.16389	4.6
241.19467	17.6
259.20554	45.3
275.13922	5.9
275.19922	4.5
277.21536	10.9
333.24423	6.7
349.23923	3.9
351.25269	100.0
430.94705	3.2
441.26135	3.5
477.28183	3.5
495.28970	9.1
513.28998	3.6
525.85590	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	513.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.7
55.01873	7.9
55.05501	20.8
56.96552	4.7
57.03430	16.5
57.07071	7.2
59.83840	4.2
60.50917	4.5
61.02913	18.9
67.05499	49.9
69.03417	15.6
69.07073	25.0
73.02909	5.9
79.05489	49.8
81.03413	10.4
81.07048	60.1
83.04974	8.4
83.08638	7.9
84.39226	5.5
85.02891	20.2
85.06516	6.2
91.03954	8.0
91.05459	40.8
93.07041	55.5
95.04959	15.8
95.08612	35.6
97.02876	14.7
97.06507	7.0
99.20377	5.3
105.07030	39.6
107.04951	23.9
107.08591	29.6
109.10162	30.8
111.75601	4.4
117.07004	11.7
119.08562	37.2
119.52259	4.2
120.15940	4.1
121.10145	28.5
125.09630	7.6
129.05457	6.8
129.06995	7.6
131.08578	14.5
133.10127	32.9
135.11670	24.2
143.08521	10.8
145.10115	27.1
147.11674	30.2
149.09616	7.5
149.13246	18.7
156.80945	4.4
157.10056	4.8
159.11667	11.8
161.13235	18.2
163.11119	6.2
163.14786	7.4
171.11646	13.8
173.13248	8.3
175.14838	13.2
185.09590	5.1
185.13252	15.9
199.14755	4.6
222.16023	4.7
229.14429	15.1
241.19534	20.0
259.20547	41.3
277.21747	5.4
351.25244	100.0
423.27652	5.8
423.55276	4.7
441.26404	6.6
449.04071	5.0
477.28668	6.5
525.64752	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	513.306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89810	2.0
53.03941	3.2
55.01870	3.2
55.05504	10.1
56.96565	3.0
57.03418	7.6
57.07059	4.6
61.02924	16.0
67.05500	36.2
69.03429	10.1
69.07069	17.4
69.45415	18.8
70.06591	4.3
71.04977	4.7
73.02906	7.6
78.96146	2.3
79.05486	39.1
81.03399	7.1
81.07053	39.9
83.04979	5.6
83.08618	7.6
85.02905	19.8
85.06531	2.4
88.69482	2.0
91.03944	8.9
91.05476	33.6
93.07037	44.7
95.04958	8.9
95.08596	24.0
97.02882	7.7
97.06516	5.8
97.10153	2.1
98.21535	3.8
99.04478	2.7
99.08078	4.5
105.07032	34.0
107.04935	15.5
107.08586	31.8
109.02860	2.4
109.06484	2.7
109.10159	15.3
111.08087	2.3
117.07002	9.9
119.08569	29.9
121.06488	3.5
121.10141	21.4
123.08035	2.7
123.11713	2.3
127.03883	2.7
129.06995	7.5
130.06479	2.3
131.08545	18.1
133.10133	24.5
135.11673	19.0
137.09660	2.5
143.08525	5.5
145.06485	2.6
145.10095	14.8
146.05966	3.6
147.11665	27.3
149.09613	2.4
149.13211	15.7
157.10121	9.6
159.11684	15.3
161.09657	3.0
161.13242	18.1
163.11189	2.8
163.14723	4.3
169.10118	2.5
171.11659	9.1
173.13275	8.0
175.14827	9.1
185.13251	8.9
187.14879	2.7
188.07089	3.3
195.13847	2.5
197.07109	2.0
197.13258	2.6
199.14830	4.5
213.16292	3.3
216.57866	2.2
223.10829	2.1
231.17648	2.4
231.21140	4.9
241.19495	16.6
253.69644	2.2
259.20554	49.8
277.21609	9.3
291.19257	2.7
333.24188	8.5
343.22723	2.4
349.23779	5.0
351.25278	100.0
363.25446	2.6
385.23816	2.6
392.21182	2.1
417.26321	3.4
441.26367	3.7
445.17508	2.6
477.28448	4.5
495.29611	4.8
513.27747	4.7
533.37683	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3053
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03961	2.7
54.99260	2.4
55.05496	10.1
57.03413	8.7
61.02917	14.8
67.05495	28.4
69.03411	6.3
69.07072	8.9
69.47497	16.3
69.47919	6.8
73.02910	4.7
79.05493	32.6
81.03415	5.6
81.07056	33.1
83.08618	4.0
85.02883	11.7
89.52203	2.7
91.03944	7.8
91.05470	26.6
93.07040	37.3
93.89943	2.6
95.04951	3.2
95.08593	17.0
97.02877	8.9
98.21446	4.8
105.07018	26.5
107.08587	26.9
109.10143	9.5
117.06986	10.3
119.08569	28.4
121.06475	3.3
121.10137	20.7
123.11667	2.7
125.09621	3.5
129.05522	2.8
129.06981	4.4
131.08568	15.0
133.10107	24.7
134.28825	2.8
135.11684	23.3
143.08507	6.5
145.10120	15.6
147.11687	26.3
149.13277	12.4
157.10155	7.6
159.11729	13.7
161.13252	18.6
163.14774	3.8
169.10196	3.5
171.11684	8.4
173.11755	2.7
173.13239	9.9
175.14827	8.3
185.13293	13.1
187.14742	4.8
189.12744	3.8
197.13133	3.4
199.14809	9.6
231.21074	6.2
241.19536	19.2
257.57965	2.8
259.20593	43.5
263.29480	3.0
277.21533	7.3
333.24210	7.2
337.21326	2.8
349.23587	4.3
351.25275	100.0
390.20227	2.8
441.26425	3.2
477.28320	4.9
495.29681	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	513.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.7
53.03934	2.3
55.01884	3.7
55.05501	11.1
57.03439	8.8
57.07066	2.3
59.04998	1.5
61.02924	18.3
61.90228	1.2
67.05499	36.5
69.03428	6.6
69.07063	12.5
70.17347	2.4
70.17747	4.2
71.01347	2.0
71.04990	4.1
72.36313	1.3
73.02914	6.0
73.11301	1.3
79.05486	39.8
81.03435	6.9
81.07055	35.7
83.04971	3.2
83.08607	5.7
85.02905	16.3
85.06535	2.9
86.24257	1.5
91.03945	11.3
91.05476	34.1
91.06013	3.0
93.07038	41.0
95.04967	5.9
95.08599	22.2
97.02888	10.5
97.10151	3.1
99.08088	2.5
105.07021	40.1
107.04948	4.0
107.08588	26.0
109.06500	4.3
109.10157	13.5
111.08077	2.9
112.22575	1.5
113.09598	2.3
115.05452	2.0
117.07011	13.6
119.08571	40.2
121.06467	1.8
121.10119	21.7
123.08075	2.3
123.11691	2.6
125.09617	2.1
127.03949	2.1
129.05486	4.1
129.06998	11.0
131.08559	22.9
133.10117	30.2
135.08078	2.9
135.11682	17.5
141.06996	2.7
143.08562	12.1
145.10123	22.1
147.08124	2.2
147.11681	30.9
149.09612	2.7
149.13274	16.1
155.08493	3.0
157.10129	11.3
158.97617	3.2
159.11685	16.8
161.09673	2.8
161.13240	24.1
163.11105	2.8
163.14810	5.1
163.59099	1.3
169.10149	4.0
171.11711	11.5
173.11868	3.3
173.13283	12.6
175.11130	2.5
175.14856	10.2
177.12721	3.1
181.09982	1.7
183.11705	5.3
185.13237	13.5
187.14806	4.1
189.12631	2.6
191.14381	2.3
195.11754	1.9
197.13206	2.0
199.14824	6.3
201.12840	2.2
201.16428	2.2
217.15962	3.1
229.14308	3.4
231.21065	4.0
241.19493	19.4
241.39476	1.5
253.19666	1.9
259.20575	56.9
271.20474	2.9
277.21533	2.4
313.21832	1.7
325.21640	2.6
333.24582	2.2
335.25769	1.9
343.22638	1.7
349.23706	6.6
351.25278	100.0
352.25708	2.9
363.25027	2.8
367.22641	5.9
375.25278	3.9
385.23865	4.2
403.24814	3.0
429.26022	2.1
441.26132	5.9
459.27359	5.7
477.28391	6.7
480.32031	1.5
495.29361	6.8
513.29883	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	513.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	30.0
69.34326	60.3
70.06589	31.6
83.96198	6.6
84.08154	7.3
85.17447	6.0
93.87504	7.3
98.21546	13.7
98.97583	99.7
105.07024	24.6
116.98618	100.0
128.98639	8.6
133.06500	91.5
134.99664	69.0
136.03461	6.6
146.99626	14.8
153.00688	11.1
161.01236	10.0
170.99751	7.4
177.00702	17.7
201.00769	10.8
207.03410	8.0
219.01834	27.7
221.09602	8.2
225.04274	9.1
231.03354	17.2
237.02754	42.7
249.04349	66.7
261.02798	32.7
267.05484	11.9
272.05984	8.4
279.03989	16.3
291.05405	24.7
303.99579	7.4
333.06494	18.3
351.07544	12.3
359.93326	7.2
369.08551	20.2
387.55972	7.7
393.07935	7.8
513.13519	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.137
Annotation	Gemixanthone A
Peak:m/z	Relative Intensity
50.87998	4.6
59.36615	4.8
60.46658	5.1
69.13591	4.8
71.57435	9.3
75.56394	5.1
124.36608	4.6
127.63329	5.2
189.01845	5.9
189.05070	5.9
207.02946	13.4
207.06450	5.5
231.02998	9.3
231.06575	8.0
495.01273	5.3
513.13483	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	9.9
57.07077	13.9
57.22026	1.7
58.06601	29.6
60.04505	2.1
67.05509	4.9
69.07073	3.8
70.06586	11.1
70.19215	3.2
70.19630	5.8
71.08627	6.1
72.08166	2.0
78.75414	1.8
79.05495	2.7
81.07047	4.2
83.04980	36.4
83.08587	2.0
85.10198	4.6
88.07639	14.5
89.06030	10.9
91.05461	4.2
93.07057	5.2
95.04960	1.9
95.08616	11.2
97.10183	2.1
98.20848	2.9
100.07645	6.5
102.09190	7.1
103.05475	2.4
105.07027	63.1
106.24980	1.8
107.08591	4.4
109.06519	2.2
109.10177	4.9
119.08614	4.6
121.06544	2.5
121.10139	4.0
123.08075	8.7
131.08643	2.0
133.08636	4.9
133.10170	4.8
145.10146	3.5
147.11691	3.3
149.09647	2.9
159.11722	3.1
161.13268	5.4
162.96565	1.7
165.12839	1.8
183.10167	10.7
183.11635	2.5
185.13278	2.1
197.13324	2.1
209.13243	3.1
213.16457	1.9
228.23248	2.5
256.26340	36.7
271.21106	2.2
274.27515	2.9
283.26315	34.4
287.16855	2.0
311.29550	3.2
337.25323	1.8
374.85831	2.0
381.27798	2.3
435.32413	13.7
453.33746	10.3
494.36453	2.1
512.37537	100.0
512.50220	88.7
513.37842	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	512.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	0.3
53.03936	0.5
57.07067	0.5
67.05493	0.3
69.07050	0.3
70.06576	0.2
71.21103	0.4
77.03925	0.5
79.05484	4.2
81.07039	0.2
87.04468	0.4
88.07626	0.3
89.06025	1.9
91.05464	0.3
93.07029	0.4
95.04964	2.1
102.09148	0.2
103.05465	3.6
105.07021	100.0
106.07352	0.6
107.08581	0.2
119.08575	0.3
121.06499	2.8
131.08560	0.3
147.08031	0.8
163.11113	0.3
165.09140	0.6
183.10152	20.9
191.10674	0.4
194.11041	0.2
209.13290	3.8
223.11224	0.7
225.12692	0.2
251.14310	0.5
256.26184	0.9
283.26282	0.8
285.14890	0.3
287.16394	4.0
288.16687	0.2
301.15778	0.2
327.17459	0.7
329.19055	0.2
389.20905	0.8
409.19980	0.2
512.50433	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	512.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.2
51.02370	0.3
53.03936	0.7
53.74871	0.1
57.07064	0.6
67.05510	0.2
69.07057	0.2
70.04300	0.8
70.06587	0.4
71.08620	0.2
77.03928	0.7
79.05488	4.4
81.07060	0.2
88.07625	0.5
89.06034	2.2
91.05477	0.6
92.41410	0.1
93.07041	0.6
95.04961	2.2
98.21433	0.3
102.09171	0.3
103.05464	3.7
105.07025	100.0
106.07398	0.8
117.06996	0.2
119.04933	0.2
121.06506	2.9
129.06926	0.1
131.08556	0.5
136.11137	0.1
147.08051	0.5
165.09132	0.7
167.99759	0.1
173.09561	0.2
176.39204	0.2
179.08556	0.2
183.10161	19.5
191.10655	0.6
209.11446	0.3
209.13264	4.2
223.11186	0.7
225.12816	0.2
251.14374	0.5
256.26425	1.1
283.26294	1.2
285.14828	0.3
287.16370	3.6
301.15881	0.4
327.17365	0.6
389.21271	0.7
398.67072	0.2
466.81458	0.2
512.50366	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	512.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05731	1.7
55.01855	1.9
55.05503	4.1
56.05030	5.6
56.96566	2.0
58.99589	9.0
59.64785	1.5
60.04522	4.5
60.08157	6.9
67.05507	3.1
69.03431	5.0
69.07061	2.9
70.02951	2.5
70.06595	53.8
71.06931	2.8
71.07356	1.8
71.58258	3.9
72.08159	16.3
73.02908	2.3
74.06071	2.8
76.02232	32.5
76.03989	3.2
79.05482	5.0
81.03400	3.8
81.07056	2.5
83.04996	10.4
83.06102	4.8
84.04510	25.2
84.08145	25.8
85.02923	5.0
85.08497	2.7
86.09708	46.6
86.99049	2.5
88.03967	2.8
91.05480	4.8
93.07048	5.5
95.04988	2.5
97.02934	2.3
97.06521	2.0
98.98463	2.4
99.05598	2.5
100.02197	3.7
102.05549	6.0
104.10761	14.8
105.07024	4.6
107.04963	11.5
107.08605	4.1
109.07645	3.6
110.07155	8.3
112.08739	4.0
115.08705	2.3
116.01682	13.2
119.08578	4.8
120.08125	12.8
121.06517	4.7
121.10114	2.6
124.02085	1.7
124.99999	12.6
125.04229	3.0
126.02484	3.6
127.04025	1.8
129.06583	3.5
129.10228	11.1
130.05020	9.6
130.06544	2.8
130.98854	1.9
131.08620	2.3
133.06425	2.7
133.10002	2.5
135.11691	7.9
136.07562	3.3
137.04237	3.7
137.05959	3.2
137.09642	2.1
139.02086	2.5
139.08688	2.0
141.04814	2.2
142.03279	9.5
143.08365	2.3
144.01141	6.9
144.09308	2.0
145.06142	5.5
145.07596	2.2
145.10126	3.7
147.07918	3.2
147.09129	2.5
152.05690	3.3
153.03746	2.5
153.06578	2.0
155.08154	6.4
157.04422	2.0
159.09177	2.8
159.11716	7.4
160.56458	1.7
162.02214	21.8
162.10414	2.0
163.05759	2.2
163.11194	26.6
165.03732	13.8
166.08612	2.4
170.02701	3.9
172.13380	1.7
177.03320	2.1
179.04865	21.7
182.06403	2.0
184.07359	56.0
185.09830	8.8
187.05348	4.5
187.11118	2.3
191.08125	13.4
195.08344	3.9
199.07179	2.8
203.04892	9.2
205.12213	13.6
206.06277	4.3
207.70741	1.8
227.04790	4.4
233.05959	12.9
237.09505	6.0
240.02863	1.8
240.09837	1.9
245.05910	15.9
252.06842	2.7
262.12543	2.6
307.12836	8.3
308.09207	4.9
350.13559	11.3
365.15317	100.0
383.16418	1.8
418.02054	1.9
437.17395	25.7
449.17419	2.6
494.25250	2.5
512.19922	11.6
512.31622	6.0
513.17255	5.4
537.06384	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66825	3.3
53.03931	13.8
54.50035	3.5
55.01865	17.2
55.05511	50.5
55.80070	3.1
56.96560	5.6
57.03437	37.7
57.07051	5.5
59.04954	3.6
61.02923	40.4
65.03941	6.4
67.05166	5.4
67.05500	87.8
69.03418	41.0
69.07065	52.2
70.06573	7.8
71.01325	4.4
71.04974	14.5
71.59943	3.8
73.02920	18.0
79.05488	95.9
81.03409	66.1
81.07053	100.0
81.54935	3.4
83.04964	18.8
83.08614	27.1
84.08142	4.1
85.02900	58.3
85.06525	11.4
87.04447	4.7
89.05991	6.8
91.03928	20.1
91.05475	83.3
93.07032	82.4
95.04966	24.7
95.08602	47.5
97.02890	45.2
97.06519	19.0
97.10146	15.3
98.98454	21.0
99.04430	13.8
99.08054	4.8
101.02388	9.3
103.03930	4.1
105.07023	93.1
107.04961	31.5
107.08581	62.8
109.02871	27.8
109.06521	17.6
109.10133	34.9
111.04430	8.6
111.08074	8.7
116.99541	4.3
117.07015	33.4
118.06533	3.5
119.08575	64.3
120.08125	4.1
121.06496	10.0
121.10134	32.2
123.08022	5.4
123.11668	7.5
125.09616	15.3
127.03907	22.7
128.06084	3.6
128.61053	3.3
129.05467	6.2
129.07008	16.6
130.07834	3.9
131.08566	41.8
133.06422	4.4
133.08614	3.5
133.10118	46.5
135.08054	9.0
135.11652	15.9
137.09624	5.8
141.07013	5.9
143.08556	16.0
145.04916	6.2
145.06444	5.2
145.10094	37.4
147.07976	5.1
147.11668	33.4
149.09595	22.8
149.13249	10.5
151.11140	8.5
155.08534	6.0
157.10074	22.7
159.11655	33.9
161.09525	4.0
161.13243	12.9
163.11160	13.2
165.12732	4.6
169.10138	10.8
171.08081	3.4
171.11650	8.2
173.04396	3.9
173.09547	5.2
173.11839	5.6
173.13251	12.2
175.11130	11.9
177.12747	10.9
179.14278	3.6
183.11662	8.1
185.13202	16.1
187.11151	4.5
189.11206	13.5
193.12242	9.8
195.13812	6.5
197.13203	5.2
201.16463	5.4
203.14333	8.2
209.11629	7.5
211.13312	8.8
217.15898	3.7
219.13817	3.9
219.17479	5.7
227.12756	13.7
229.19557	4.3
237.22136	3.5
239.17944	15.7
247.20604	4.9
251.16249	4.5
257.19034	33.1
267.15781	4.5
269.17499	9.5
275.20026	98.9
283.15451	3.6
285.10205	4.5
285.61508	3.5
290.05710	5.0
292.07126	3.4
299.20013	4.6
331.22849	4.3
339.17984	7.2
349.23755	74.4
383.22061	5.0
391.24762	4.3
409.15268	3.6
419.24228	7.9
461.96484	3.5
493.27844	11.1
511.23383	12.3
511.29868	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	511.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	13.1
55.01864	14.3
55.05501	36.4
56.96547	10.5
57.03437	27.8
57.07054	6.4
61.02915	20.1
65.03946	5.8
67.05498	95.7
69.03423	25.7
69.07069	33.5
70.06557	10.0
71.01333	5.2
71.04968	15.4
72.08134	4.5
73.02911	13.6
79.05483	76.5
81.03410	65.4
81.07048	100.0
83.04970	20.0
83.08601	18.4
85.02897	40.3
85.06561	6.6
87.04448	3.7
91.03956	9.5
91.05469	85.2
93.07029	79.1
93.24874	3.1
95.04956	24.9
95.08591	44.1
97.02880	30.0
97.06515	14.6
97.10165	19.7
98.98460	9.0
99.04450	9.2
99.08126	4.5
101.02354	3.6
103.03942	4.2
103.05460	6.2
105.07030	77.7
107.04956	26.2
107.08589	53.8
109.02870	16.9
109.06555	17.5
109.10149	42.9
111.04443	9.2
111.08057	8.5
113.06019	5.2
117.07029	30.6
118.22335	3.4
119.08564	60.3
121.06525	9.1
121.10146	33.5
122.70179	4.2
123.08057	8.1
123.11665	5.5
125.09644	14.5
127.03881	20.4
128.06190	3.7
129.05487	8.3
129.07021	16.2
131.08548	34.1
133.06538	8.6
133.10115	47.3
135.08057	10.2
135.11691	20.4
137.09622	9.2
141.09068	3.7
143.08557	9.2
145.06503	4.2
145.10133	33.4
147.08125	7.0
147.11674	28.3
149.01312	4.7
149.09607	15.6
149.13266	12.1
151.11226	4.9
155.08582	8.4
157.10138	15.6
159.11664	25.5
161.09595	8.6
161.13336	4.9
163.11145	13.3
165.12709	5.3
169.10117	11.0
171.11742	12.7
173.09666	7.6
173.11842	5.3
173.13252	8.6
175.11188	8.8
175.14853	4.4
177.12729	6.4
183.11667	7.3
185.13266	6.1
187.11197	6.5
189.11169	4.6
191.10622	4.3
193.12233	14.5
195.13734	6.9
209.11620	7.7
211.13246	8.6
217.07591	4.0
219.17285	6.1
227.12723	9.2
229.14209	4.6
239.17950	7.8
247.20607	11.9
257.10580	7.3
257.19031	27.0
267.15894	9.2
269.10532	13.0
269.17447	10.7
275.20001	64.8
276.32559	4.3
285.15417	5.0
287.11740	9.2
301.13266	13.8
318.53137	3.5
331.23010	4.8
349.23724	52.1
383.22083	4.8
447.26288	5.0
475.26871	6.7
479.23199	12.9
493.28082	11.0
511.29663	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66656	2.3
54.60141	2.1
55.01879	3.0
55.05507	7.6
57.03442	15.2
57.84763	2.3
61.02933	19.2
67.05508	20.7
69.03427	10.2
69.07059	3.4
69.49469	2.6
69.68135	2.4
70.78135	2.2
71.59482	3.4
72.34906	2.6
73.02913	7.6
79.05494	15.9
81.03404	7.7
81.07064	14.7
81.99835	2.5
83.04984	3.1
83.08593	5.5
85.02920	15.6
86.09713	3.0
91.03952	10.0
91.05476	27.1
93.07048	19.8
95.05003	4.7
95.08604	9.4
97.02907	12.6
99.04441	3.5
101.02394	5.6
105.07037	23.8
107.04926	3.2
107.08593	8.1
109.02869	3.8
109.06491	3.5
109.10133	5.2
117.07029	12.8
119.08602	18.9
121.06471	4.0
121.10162	8.7
123.08078	2.9
127.03931	7.3
129.07031	3.5
131.08542	13.9
133.10138	11.3
135.11697	4.5
143.08566	3.4
145.10095	8.7
145.72861	2.5
147.11734	4.7
149.09665	3.2
159.11711	6.1
185.13298	2.8
201.16425	5.7
203.14214	3.1
219.17442	100.0
245.09390	2.4
246.60970	3.0
257.19070	4.6
275.20163	16.6
349.23679	11.2
511.29846	10.6
515.87537	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	511.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	13.4
55.01871	12.0
55.05508	30.9
56.96537	5.0
57.03431	32.4
57.07061	4.0
58.54628	3.2
61.02914	7.9
62.16584	3.9
66.37518	3.5
67.05500	90.7
69.03429	53.7
69.07059	28.6
70.06600	3.6
70.84902	6.9
70.85272	6.0
71.01340	8.1
71.04984	14.1
72.40226	3.4
73.02907	9.0
77.24323	3.2
78.22516	2.9
79.05489	62.7
79.05904	6.4
79.30698	3.0
81.03414	88.6
81.07056	100.0
83.04976	26.3
83.08617	15.7
85.02905	29.7
85.06545	4.5
91.05479	62.5
91.06041	3.4
93.07035	66.9
95.04964	20.4
95.08604	45.3
97.02887	47.2
97.06511	13.4
97.10155	9.9
99.04454	12.3
99.08096	3.8
101.02390	4.7
103.03953	6.5
105.07016	65.7
107.04938	24.2
107.08586	40.1
109.02896	15.6
109.06512	13.2
109.10168	33.4
111.04420	9.7
111.08134	5.8
113.05995	3.9
117.07007	26.1
119.08569	38.7
121.06523	9.4
121.10131	26.1
123.08070	8.3
123.11715	9.2
125.09691	7.3
127.03905	22.4
129.05472	4.4
129.06995	9.0
131.08568	34.3
131.09529	4.7
133.06450	5.8
133.10118	35.9
135.08049	9.0
135.11673	14.5
137.09625	5.1
143.08615	12.0
145.06482	4.5
145.10124	26.5
147.05708	3.1
147.11665	23.6
149.09607	10.2
149.13268	13.3
151.11145	8.6
157.10124	12.7
159.11687	26.2
161.13286	8.6
163.11189	9.6
165.12741	5.2
169.10150	4.6
171.11703	10.3
173.04463	27.4
173.09676	3.8
173.13261	8.5
175.11273	5.3
177.12680	8.6
183.06506	4.0
183.11700	4.4
185.13173	4.5
187.14854	4.7
193.12337	5.5
195.13838	13.3
197.13248	4.1
201.07497	3.7
211.13289	5.8
213.14786	4.3
217.08600	6.8
229.19510	5.4
239.17981	3.9
257.19012	11.9
267.15948	7.3
269.17358	5.1
275.20038	43.7
280.22845	5.8
285.15182	6.4
293.21136	6.0
303.16016	5.4
321.17010	4.2
339.18307	3.8
346.00162	3.6
349.23706	42.4
357.79776	3.4
386.93457	3.7
413.21591	29.6
493.27921	9.7
511.29471	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	11.0
55.01865	11.3
55.05518	33.1
55.20767	5.1
57.03442	62.3
61.02932	57.6
62.85865	4.3
67.05500	42.8
69.03432	36.4
69.07066	18.1
70.06591	14.7
71.04994	5.9
73.02914	23.4
79.05081	5.3
79.05499	71.5
81.03437	29.2
81.07067	61.1
83.04993	9.9
83.08610	13.8
84.04479	5.0
84.08115	7.9
85.02906	54.1
85.06526	7.0
85.76427	4.9
86.09708	7.7
87.88818	4.4
91.03970	39.4
91.05485	87.5
91.47305	4.7
93.07053	64.9
95.04965	18.6
95.08608	43.7
97.02901	39.7
97.06556	5.8
97.10177	5.3
99.04452	13.9
99.08106	5.2
101.02370	9.5
103.05464	5.6
105.07038	92.1
107.04960	24.2
107.08604	40.1
109.02895	5.7
109.06495	10.8
109.10167	12.2
111.04469	5.5
115.03883	6.1
115.05419	7.2
117.07050	37.2
119.08586	77.1
120.08080	5.0
121.06496	9.4
121.10146	18.9
123.08062	6.8
125.09641	8.6
127.03928	25.9
128.06186	5.0
129.07021	25.7
131.08553	59.1
133.06491	10.4
133.10123	36.9
135.08064	7.4
135.11644	10.6
137.05988	7.5
137.09740	5.4
138.06310	6.2
141.06989	12.4
143.08554	21.3
145.06528	5.0
145.10162	48.4
147.11650	30.5
149.09599	17.1
155.08530	11.6
157.10114	23.1
159.08090	8.3
159.11710	42.6
161.09644	7.3
161.13239	16.0
163.11133	6.9
169.10152	11.4
171.11697	9.6
173.13214	26.0
175.14821	13.5
183.11684	10.4
184.07314	11.4
185.13254	44.9
187.11234	6.6
189.04172	6.4
191.14365	4.8
197.13287	13.7
201.12799	6.7
201.16322	6.6
203.14287	22.8
211.14810	6.8
219.17496	28.3
229.19537	7.5
238.40718	5.3
239.17949	21.4
257.18988	44.2
261.50049	5.5
275.20078	72.4
278.18347	5.4
317.21616	6.3
329.21442	5.6
331.22586	7.0
339.27261	6.1
349.16968	8.2
349.23788	100.0
352.21875	5.5
361.24136	6.2
430.11749	5.2
457.25726	9.5
493.27502	7.9
511.18710	8.4
511.24905	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	511.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08882	2.0
53.03954	4.5
55.01871	6.3
55.05505	7.3
55.78808	1.8
57.03442	12.7
59.89232	1.8
60.27353	1.9
60.58760	2.1
61.02924	16.8
67.05495	17.2
69.03445	10.7
69.07056	6.8
70.06590	12.0
70.16203	7.5
72.08159	3.1
73.02913	5.7
75.84574	2.4
79.05495	33.6
81.03419	8.4
81.07052	19.2
82.07416	2.8
83.04997	2.4
83.08589	3.4
84.08142	4.2
85.02916	15.5
86.09715	7.3
91.03954	7.8
91.05476	32.9
93.07041	17.5
95.04980	10.1
95.08601	15.6
96.77746	1.8
97.02922	12.4
97.10144	4.6
98.20835	3.1
99.04493	2.5
99.08084	3.1
101.02390	1.9
103.05453	3.2
105.07026	27.0
106.85163	2.2
107.04956	100.0
107.08599	30.9
108.05242	2.7
109.02893	3.6
109.06496	3.5
109.10178	5.8
110.07115	3.8
111.04443	4.7
112.08706	2.0
115.05459	10.8
117.07021	13.7
119.04962	5.0
119.08579	14.5
120.08095	2.1
121.02876	13.1
121.06517	7.6
121.10134	5.4
125.09657	3.7
127.03912	7.2
128.06245	11.2
129.05493	2.3
129.07014	19.8
129.99902	1.9
131.04918	15.0
131.08554	14.8
133.06499	9.3
133.10138	10.9
135.08098	4.5
137.05988	18.7
138.06340	8.1
140.84039	2.2
141.06995	12.0
143.08551	7.5
145.06476	21.6
145.10118	14.1
147.08006	5.8
147.11693	7.9
149.06003	8.1
149.09599	4.6
157.06473	17.1
157.10158	8.4
159.08038	4.6
159.11723	11.8
161.13237	5.7
169.06493	34.0
169.10056	3.3
171.08073	15.2
171.11673	3.5
173.09549	2.1
173.13271	7.1
177.05455	6.1
179.08505	4.4
181.06458	2.9
183.11630	3.3
184.07346	3.7
185.09637	2.1
185.13255	8.2
189.09071	4.1
189.11215	3.9
191.08490	3.0
202.07773	6.2
203.08643	3.3
203.14316	3.1
205.10107	2.4
207.08009	5.2
215.08627	5.8
217.08542	2.8
218.07280	4.6
219.08081	7.7
219.17438	3.4
221.09668	5.2
231.08107	6.5
233.09613	7.7
234.06851	2.5
235.07529	8.7
237.09039	5.4
239.08577	2.4
239.17818	4.7
245.09599	5.8
247.07721	4.9
248.08299	4.0
249.09190	7.5
255.08128	2.8
257.09698	3.4
257.15305	3.1
257.19000	9.3
259.07623	9.8
260.08371	2.9
261.09070	15.6
262.09827	4.5
263.10843	4.8
273.09070	6.7
275.10776	2.4
275.20081	20.3
276.09592	3.3
278.18280	6.0
285.09045	4.2
285.14859	7.8
287.10812	2.4
294.10367	3.3
295.19131	2.5
296.19537	3.8
305.09702	3.0
307.11115	3.8
313.14352	5.6
318.10526	2.9
319.11136	4.8
325.12268	6.0
331.11334	5.1
331.15457	3.1
333.12717	4.7
335.10703	4.1
336.10773	2.4
347.10574	4.8
349.12335	5.0
349.19940	3.1
349.23813	23.0
351.10016	3.5
351.13898	3.8
352.22067	11.0
353.11804	9.5
355.13480	12.9
361.12268	4.1
365.11719	6.2
366.11783	2.6
367.13428	3.1
370.22937	5.2
370.26990	2.8
377.11911	10.0
379.13239	19.8
380.13980	4.9
385.11923	3.2
391.13281	9.3
403.13281	2.6
404.14194	4.0
405.15106	5.9
417.14828	3.6
483.19333	8.4
493.17880	4.8
511.18933	97.0
511.25467	23.4
512.19342	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	511.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14474	0.2
56.96560	1.3
57.31710	0.2
57.92849	0.2
60.04511	0.4
69.03421	0.3
70.06595	2.9
71.59879	0.3
72.08144	0.7
81.03436	0.3
84.04492	0.3
84.08144	0.7
85.02908	0.3
86.09704	1.1
91.05476	0.3
97.02859	0.3
98.97575	0.6
102.05505	0.2
107.04270	0.4
107.04949	5.0
110.07157	1.0
116.98631	0.4
119.08593	0.3
120.08116	0.3
123.05485	0.2
129.10226	0.4
134.99596	0.3
136.07526	0.5
143.00146	0.3
147.04332	0.5
157.04735	0.9
158.99660	0.7
161.01176	0.3
162.04117	0.4
177.00688	1.3
185.04195	0.3
214.00047	0.2
232.99663	0.3
234.99084	0.3
237.02708	0.3
248.99231	0.5
271.04248	1.1
332.11301	0.4
347.02887	0.4
347.09668	1.1
349.18280	10.8
365.03925	0.3
391.19199	0.4
439.07886	0.3
506.65048	0.3
511.23602	100.0
512.23907	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	14.4
57.07077	100.0
67.05511	32.4
69.03431	14.9
69.07069	26.3
69.96909	16.0
69.97303	13.0
71.08634	65.2
80.23669	6.3
81.03422	11.1
81.07047	32.2
83.08620	34.6
85.02911	21.8
85.10188	45.7
86.09713	14.0
92.47512	6.5
95.08605	60.1
97.02912	22.2
97.10167	14.9
99.04460	9.0
104.10746	21.7
109.02853	7.9
109.10143	26.6
110.62396	5.9
116.97324	5.4
123.11739	9.7
127.03906	23.9
137.13171	6.8
145.05011	19.9
161.91605	5.9
184.07373	22.0
239.23695	95.6
313.27341	39.8
339.29153	7.0
373.28113	5.9
383.27924	35.6
401.28989	67.7
530.13586	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	511.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.8
53.03937	1.9
56.05051	0.9
69.03424	2.2
70.06591	8.3
70.16043	2.8
70.16391	1.2
72.08150	1.6
75.02975	0.9
79.05494	1.8
80.29196	0.8
80.67579	0.8
81.03402	3.0
84.08141	1.6
85.02897	3.5
86.09696	1.8
87.00816	1.4
95.04964	2.0
97.02883	1.3
98.20840	0.9
98.97602	1.0
99.04454	1.0
101.69985	0.7
105.01828	0.8
107.04953	100.0
107.60583	0.7
108.05328	1.0
109.02885	2.3
110.07209	1.7
120.08049	1.2
126.99966	0.8
127.03934	2.1
129.03128	15.7
129.10223	1.1
136.07591	1.4
157.04721	36.5
159.02919	1.3
167.03156	0.8
185.04292	0.9
187.28685	0.8
192.73007	0.7
221.01509	0.8
227.05252	7.6
237.02930	0.9
248.79977	0.7
271.04254	38.4
308.59143	0.9
351.10614	2.9
361.11191	1.9
377.08405	12.9
395.09354	5.5
405.10040	5.1
405.14877	1.6
425.14114	1.3
467.15317	14.9
493.37433	0.8
511.14246	47.6
512.14642	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83178	0.6
56.05029	1.7
57.03426	0.6
57.07065	2.5
58.06598	1.4
60.07882	1.1
60.08164	15.5
69.07054	0.7
69.60260	3.1
69.60673	1.5
71.07381	6.2
71.08615	1.3
85.10172	1.2
86.09708	47.2
95.08617	1.2
98.20701	0.7
98.98457	3.7
104.10746	95.8
124.99085	1.3
125.00003	24.8
139.71103	0.6
143.09100	0.7
184.07343	100.0
187.83020	0.7
236.78827	0.7
258.11072	1.3
320.52954	0.7
327.28964	1.1
492.34622	8.6
510.35529	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	510.3554
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
52.30989	0.3
56.05012	0.5
57.07058	1.2
58.06594	0.4
60.08160	6.0
62.06087	0.7
67.05492	0.4
69.07056	0.4
69.27306	3.2
69.27714	0.6
71.07369	3.4
71.08624	0.4
81.07053	0.4
86.09705	27.6
95.21223	0.3
96.62683	0.3
98.98467	2.8
99.22263	0.3
104.10754	3.8
125.00002	20.3
184.07338	100.0
185.07704	0.5
356.35284	0.3
492.34171	0.7
510.35431	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	510.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	31.0
57.03426	12.0
57.07073	6.4
62.06087	28.0
67.05506	69.8
69.07054	21.6
70.22243	17.6
70.22637	11.4
71.08640	38.8
78.31078	5.0
79.05492	48.3
81.03427	8.5
81.07053	62.5
82.06571	10.1
83.04960	9.3
83.08617	15.2
85.06517	7.0
91.05480	31.0
93.07041	52.0
94.06575	6.2
95.04984	8.3
95.08628	38.4
97.06487	7.5
97.10173	5.6
98.98470	35.6
99.08094	29.2
101.59039	6.3
105.07052	26.0
107.04922	6.7
107.08590	23.8
109.10133	12.9
117.06969	6.2
119.08572	21.2
120.22684	5.4
121.10136	21.9
124.01627	6.2
126.12791	21.1
131.08560	13.5
133.10127	15.4
135.11717	9.9
143.06792	6.0
144.13873	8.8
145.10114	7.1
147.11685	10.9
149.13266	18.3
151.11177	20.0
155.01012	19.6
161.13214	15.1
163.11179	15.7
173.25311	5.3
175.14726	5.9
177.12749	16.7
179.14284	14.6
195.13838	9.6
205.24066	5.6
216.06358	8.1
220.16942	19.7
228.43381	6.3
229.14371	13.3
238.18060	17.9
241.19614	11.2
259.20599	24.7
269.17514	62.1
277.21683	34.3
294.20639	9.3
320.26013	11.3
332.26135	7.9
333.24173	14.3
349.14063	22.3
351.25330	100.0
369.26151	17.0
374.17386	29.4
376.28647	7.5
392.18411	64.8
431.22076	10.0
474.26135	26.5
490.29099	7.1
510.31433	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.2
53.83069	5.9
55.01875	14.1
55.05508	38.2
57.03443	27.8
57.07059	5.9
61.02312	5.3
62.67769	5.3
65.03936	7.1
67.05504	85.9
69.03409	8.5
69.07063	33.6
70.06578	5.8
70.34331	23.5
71.04978	7.2
71.08636	48.0
79.05487	75.5
80.04995	6.3
81.03412	18.4
81.07056	96.1
83.04968	13.3
83.08616	20.8
84.08140	10.4
85.02887	8.0
86.09705	6.1
91.05473	57.3
93.07044	94.6
95.04961	22.3
95.08606	64.1
97.06534	18.6
97.10167	10.5
98.98460	19.7
99.08089	38.9
105.07027	38.6
107.04969	8.4
107.08561	34.0
108.63111	5.6
109.02897	7.9
109.10135	8.2
113.09667	8.2
117.07026	19.6
119.08580	24.9
121.10163	19.4
123.11769	7.1
125.09586	8.2
129.06981	7.3
131.08554	13.1
133.10135	28.0
135.11685	25.2
139.11217	8.4
145.10101	15.2
147.11658	13.7
149.13240	28.2
151.11134	26.4
157.10086	6.6
159.11708	17.1
161.13268	22.6
163.11183	18.3
165.12740	9.8
171.11702	12.0
177.12773	10.2
179.14284	13.5
184.07379	6.2
185.13278	7.2
192.07791	6.7
195.13763	13.5
220.17038	15.3
238.18002	12.7
241.19565	13.3
251.16409	11.6
259.20572	21.1
269.17441	90.8
277.21512	36.1
320.25781	24.8
333.24142	38.9
338.26959	19.5
351.25266	100.0
369.26474	58.3
374.17188	12.8
392.18179	47.2
474.26147	15.2
510.23755	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.7
55.05507	19.7
57.03425	10.3
62.06094	33.5
67.05508	49.5
69.07069	14.4
69.57237	27.3
70.06610	5.5
71.08630	32.9
79.05496	31.2
80.04985	3.9
80.42844	4.1
81.07055	42.2
82.06563	7.4
83.04980	7.8
83.08605	12.9
83.09068	3.0
84.08146	4.6
85.06564	4.7
91.05476	19.0
93.07059	36.5
95.04952	12.0
95.08597	22.6
97.06539	10.1
97.10177	8.9
98.98469	35.5
99.08097	28.4
105.07072	16.7
107.05025	5.3
107.08594	24.5
109.06487	5.6
109.10168	11.7
111.08100	6.8
117.06999	7.5
119.08578	12.6
121.10162	11.8
123.11785	4.0
124.01540	3.8
125.09636	5.2
126.12802	6.1
129.07013	4.8
131.08580	9.0
131.27008	4.0
133.10123	12.2
135.11700	11.9
142.12280	13.8
145.10130	10.6
147.11690	4.0
149.13264	13.5
151.11125	16.3
153.09152	8.4
155.01106	20.0
157.10014	4.3
159.11685	10.3
161.13269	10.7
163.11194	9.5
165.12762	3.8
173.02150	6.1
173.16138	4.2
177.12741	11.5
179.14288	18.1
195.13882	5.7
196.13341	7.7
199.14900	4.8
216.06342	6.2
220.16885	16.0
227.12706	7.5
229.14326	9.3
231.21095	4.1
238.18044	13.6
241.19527	9.1
259.20624	14.4
269.17432	43.0
277.21579	45.5
320.25797	8.8
333.24310	5.8
336.15842	4.0
349.14093	13.3
351.25311	100.0
369.26450	10.9
374.17255	30.5
378.16736	4.0
392.18304	58.5
413.20822	11.5
431.21930	40.2
449.22531	8.3
456.25015	4.6
474.26254	29.5
492.27271	18.0
509.90021	3.8
510.27142	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	510.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58662	0.7
53.03933	2.1
55.01878	3.6
55.05508	5.1
57.03428	2.8
57.07077	1.6
62.06084	1.8
67.05495	7.4
69.03426	0.9
69.07059	4.7
70.04056	1.1
70.06611	5.6
71.08615	1.7
72.08160	1.9
76.22522	0.8
79.05494	6.7
81.07057	25.0
83.04996	4.4
83.08614	2.8
84.04497	1.5
84.08141	3.3
85.02905	1.0
86.09723	4.1
91.05474	4.6
93.07046	5.8
95.04979	0.9
95.08608	6.3
97.06547	1.7
98.98449	2.5
99.08089	1.1
104.10748	1.4
105.07043	3.5
107.04966	3.6
107.08617	5.7
109.05576	0.8
109.05728	1.0
109.06511	9.4
109.10167	4.6
111.04442	15.4
111.08044	1.2
117.07030	1.3
119.08562	5.2
120.08147	1.6
121.06548	1.0
121.10133	4.6
123.08080	1.6
123.11699	1.6
125.06013	4.0
125.09584	1.1
128.06209	0.9
131.04984	0.8
131.08559	2.6
133.10133	5.0
135.08060	2.8
135.11720	4.5
137.05977	100.0
137.13217	1.9
138.06363	1.5
141.12767	3.1
143.08517	1.4
145.06476	1.2
145.10118	1.5
147.08031	2.3
147.11690	7.0
149.09642	5.4
149.13255	2.3
151.07538	2.6
151.11134	1.7
157.10126	2.5
159.11734	1.5
161.09636	5.3
161.13281	3.2
163.11194	5.2
163.14819	1.2
165.09145	2.3
171.11725	1.3
173.13223	0.9
175.11160	5.1
175.14870	1.0
177.12788	1.5
179.10724	2.8
181.10100	8.8
184.07304	1.8
185.13261	0.8
189.12714	1.0
193.12250	1.7
203.14381	1.1
203.17934	6.6
213.16394	3.6
221.18999	1.8
231.17386	7.4
241.15883	1.5
247.07784	0.8
249.18515	6.3
277.17993	49.4
277.21201	1.9
278.18405	1.5
295.19061	24.6
295.22644	4.0
311.10501	1.1
320.22180	2.6
320.49786	0.8
351.21646	59.2
351.25125	2.5
352.21866	1.9
369.22675	21.6
369.26544	6.3
442.07874	1.0
474.22568	1.1
492.23444	1.3
510.28708	1.1
511.18790	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	10.9
55.01872	16.0
55.05289	2.1
55.05509	21.5
56.05856	2.2
56.96552	4.2
57.03440	11.3
57.07062	9.5
59.04982	2.5
60.04516	2.3
61.02914	8.5
67.05505	32.5
69.03428	35.7
69.07066	14.0
70.04074	100.0
70.06580	8.0
71.05001	11.7
71.54411	1.8
71.59800	2.4
71.60191	3.5
72.08145	4.0
73.02913	10.3
79.05486	24.2
81.03412	49.6
81.07050	33.3
82.03733	3.1
83.01325	2.3
83.04976	7.6
83.08614	25.5
84.08134	3.1
85.02905	96.1
85.06520	4.2
86.03223	9.8
86.09682	3.2
87.00814	28.1
88.01162	3.6
89.06030	2.7
91.03932	5.4
91.05056	2.2
91.05484	24.4
93.07047	22.7
95.04975	18.4
95.08615	24.1
97.02274	3.0
97.02887	42.7
97.06504	4.7
97.10176	11.1
98.03233	2.7
99.04447	14.8
99.08082	23.0
100.08413	5.4
103.05444	2.3
105.01868	40.2
105.07012	12.2
107.04945	25.8
107.08577	16.3
108.04504	3.2
108.08086	3.0
109.02872	30.7
109.06506	11.9
109.10155	17.7
109.39018	2.3
110.03210	5.6
111.04461	4.7
111.08089	3.1
111.11694	3.6
116.01748	3.1
117.01831	4.6
117.07009	6.3
119.07858	2.1
119.08561	11.8
120.08086	2.8
121.06493	9.3
121.10130	11.8
123.04415	2.9
123.08034	3.1
123.11698	7.7
124.07590	1.9
125.05952	2.9
125.09631	4.6
127.03908	72.7
128.04239	12.3
129.01848	3.9
129.06995	4.6
131.08578	7.6
133.10132	9.7
135.08038	5.4
135.11717	9.9
137.13222	2.9
139.11163	3.3
143.08449	2.5
145.00482	3.6
145.04945	30.6
145.10124	10.1
146.05287	3.0
147.02892	4.3
147.08060	2.5
147.11638	3.0
148.08687	3.4
149.09616	4.2
149.13248	3.7
159.02870	23.7
159.11745	3.1
161.09576	4.4
162.02231	2.7
163.11163	9.4
163.14923	2.3
167.10663	3.5
167.14246	3.0
171.11702	2.2
173.09662	3.8
181.12244	4.4
189.11151	2.7
191.14281	4.3
193.12215	6.3
204.06619	2.2
209.11696	6.3
213.03979	3.7
215.49883	2.1
219.13800	5.3
226.07066	5.3
227.06448	4.7
227.08438	2.4
227.12773	13.6
231.04930	11.5
232.05292	3.2
243.04678	2.1
243.07834	5.4
244.08148	5.7
245.07468	7.7
249.14894	2.1
267.95993	2.6
283.15335	4.4
287.03732	8.1
289.05261	50.4
293.17520	4.5
293.28427	5.9
325.07327	2.6
353.11279	2.4
367.22311	4.8
385.23676	5.2
459.27423	4.5
465.24524	6.7
466.31180	3.5
509.22507	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	15.3
57.03431	8.7
57.07070	5.7
62.65331	3.7
67.05505	37.0
69.07062	18.5
69.38392	19.0
69.38826	17.1
79.05499	11.5
81.07069	25.9
83.08610	8.8
85.05001	3.6
91.05468	8.3
93.07051	12.5
95.08616	29.0
96.01544	3.5
98.98473	61.4
105.07027	5.6
107.08590	4.8
108.64614	4.2
109.10140	12.1
119.08648	3.9
121.10165	7.2
123.11729	6.4
134.88692	3.6
155.01068	4.9
173.02115	11.3
263.23712	6.0
337.27365	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23125	3.2
53.29177	2.8
53.51930	3.1
55.05507	10.0
57.03431	9.2
59.78473	3.4
67.05506	25.3
69.07079	16.0
69.64335	25.2
79.05503	8.7
81.07057	35.5
83.08621	7.3
91.05479	8.3
93.07066	8.4
95.08602	21.7
97.06542	2.9
98.21544	3.4
98.98470	63.0
99.65823	3.3
105.07056	5.9
107.08584	5.8
109.10182	5.8
123.06504	2.8
123.11734	3.3
144.16878	3.4
147.11691	3.3
148.16469	3.8
151.07625	3.2
155.01109	7.1
173.02133	8.6
175.14754	3.3
263.23746	5.1
300.39624	3.1
337.27383	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	14.3
57.03429	11.0
57.07077	3.3
60.08167	16.5
62.06091	3.7
67.05499	31.3
69.07066	18.7
70.79007	7.6
71.07360	6.5
73.35903	2.6
79.05482	8.8
81.07059	33.2
81.12322	2.8
83.08620	6.6
83.64056	2.5
86.09707	50.3
87.10046	7.4
91.05511	4.4
93.07038	12.4
95.08601	27.2
98.98464	68.3
104.10742	90.5
104.11428	6.1
105.07008	3.8
105.10453	3.7
105.11080	22.5
107.08604	4.3
109.10159	8.2
110.51963	2.7
116.31116	2.9
116.99518	4.1
119.08619	3.6
121.10166	3.7
124.99994	30.4
127.84357	3.0
135.11697	5.0
149.80128	2.9
155.01070	6.8
173.02124	11.5
173.39380	2.7
184.07341	95.7
185.07664	25.6
263.23624	4.3
318.44427	3.0
336.26572	3.4
337.27332	100.0
353.32547	3.5
491.32996	7.7
509.34338	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	509.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.0
54.38543	1.3
55.01865	2.5
55.05510	7.8
56.96572	1.3
57.03432	4.0
57.07078	1.7
61.02936	2.9
67.05502	16.3
69.03417	5.1
69.07063	5.6
70.04077	69.9
70.06573	3.4
71.03777	3.1
71.04404	4.9
71.04990	2.5
73.02890	1.7
79.05488	14.1
79.91382	1.1
81.03409	6.9
81.07053	15.5
83.04973	4.8
83.08617	4.7
84.08134	1.8
85.02898	8.3
85.06533	3.7
86.09676	2.0
87.04458	1.7
91.03960	2.0
91.05474	14.3
93.07033	12.6
95.04970	8.6
95.08638	6.9
97.02894	5.4
97.06537	2.2
97.10142	1.5
98.97574	1.4
99.04433	2.0
100.32915	1.3
105.07021	9.0
106.37650	1.5
106.74087	1.4
107.04947	21.3
107.08601	9.8
108.08107	3.0
109.06526	2.6
109.10156	5.6
111.04450	3.0
113.05977	1.5
117.07038	3.4
119.01910	3.7
119.08570	8.2
120.08122	1.9
121.06535	5.2
121.10145	5.1
125.09665	1.9
127.03920	2.5
129.07016	2.1
131.08554	5.8
133.06512	1.7
133.10139	3.9
135.08067	2.6
135.11664	5.5
136.07579	3.1
145.06470	1.7
145.10126	5.8
147.08023	2.1
147.11632	1.6
149.09708	1.9
161.02982	3.1
163.11205	5.2
167.03368	2.1
171.08076	1.8
187.00896	1.5
188.77849	1.4
193.12221	2.2
194.09348	1.5
200.12875	2.8
203.05363	2.5
209.11711	5.0
227.12794	9.9
243.04720	9.0
245.06282	8.6
261.18335	5.7
271.04147	2.0
283.15323	2.9
287.03702	67.4
289.05289	81.0
350.23627	1.7
371.12372	2.6
423.18179	1.5
445.14288	1.5
447.23514	5.3
464.46115	1.5
465.24661	6.9
477.15994	2.1
491.22470	100.0
492.22885	1.9
509.10913	4.6
509.23105	30.4
509.34622	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	509.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.4
57.18227	0.8
61.80317	0.7
67.05486	3.0
69.07056	2.0
69.55074	6.3
70.06594	1.0
71.04959	0.9
79.05487	2.7
81.03394	1.3
81.07068	4.4
81.07463	0.8
81.28595	0.8
83.08600	0.9
83.48269	0.8
91.05481	2.0
93.07041	3.7
95.04930	1.1
95.08603	2.2
97.10160	1.4
98.20737	1.5
101.00877	1.5
105.07042	2.7
107.04931	3.8
107.08592	1.5
109.10158	1.9
119.01911	6.1
119.08597	1.3
121.06532	0.8
123.11681	0.8
133.10191	1.0
135.11714	0.9
137.02927	1.0
143.01894	2.2
157.03529	1.3
161.02965	3.9
163.11107	1.1
167.03261	1.0
187.00874	2.0
200.47664	0.9
201.03702	1.4
203.05304	1.9
205.01797	0.9
227.05296	1.9
229.01929	1.6
243.04706	7.5
243.17194	2.6
245.06285	7.2
245.18761	0.9
248.52661	0.9
261.18250	8.4
271.04196	2.5
287.03717	69.0
289.05280	78.5
350.17502	0.8
350.31815	0.8
423.23724	1.4
447.23434	4.7
465.19412	0.5
465.24551	20.5
491.22467	38.4
492.23410	1.1
509.23538	100.0
510.23917	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.5
55.01863	3.6
55.05511	9.3
56.64526	1.1
57.03420	4.7
61.02905	1.5
65.03916	1.2
67.05503	21.3
67.21282	1.2
68.05816	1.2
69.03426	2.8
69.07069	11.0
69.62737	4.6
69.63159	3.5
70.06588	2.5
71.04972	3.7
72.40445	1.1
79.05486	14.7
81.03401	5.1
81.07050	18.7
82.07336	1.3
83.04969	5.1
83.08597	5.4
84.08120	1.8
85.02893	4.9
85.06511	2.1
91.03928	1.5
91.05479	12.6
92.05825	1.7
93.07040	17.2
95.04955	8.3
95.08595	11.4
97.02865	2.8
97.06530	3.9
97.10165	5.2
98.21452	2.8
105.07030	10.4
107.04952	13.0
107.08601	10.9
108.08858	1.9
109.06525	6.9
109.10161	8.6
111.04453	2.8
111.08069	2.3
117.07005	5.4
119.01907	2.1
119.08572	9.0
120.08079	1.3
121.06484	4.9
121.10133	7.9
122.10482	1.4
123.08057	2.3
123.11703	1.6
125.09602	3.4
126.10014	1.4
127.00026	1.7
127.03866	1.9
129.06960	1.7
131.04988	1.6
131.08542	6.2
133.10127	4.7
135.08038	3.7
135.11674	5.2
141.06903	1.2
143.08549	1.3
145.06467	2.6
145.10107	5.5
145.72191	1.1
147.11656	3.4
149.09572	2.9
153.12717	1.4
155.08592	1.2
155.60294	1.5
157.10118	2.3
159.11655	2.0
161.02914	2.8
161.09540	2.0
163.11174	6.7
167.03339	3.0
167.10643	1.7
185.53491	1.5
187.11226	1.5
187.14752	1.4
193.12170	2.5
199.13231	2.2
209.11769	2.8
219.13831	3.5
223.13185	1.5
227.12698	6.8
243.04695	4.0
243.17287	1.5
245.06346	5.1
271.04260	2.3
275.19998	1.7
276.20364	2.4
287.03693	16.9
289.05307	51.9
303.18069	1.9
350.24188	10.2
353.06412	4.2
385.23688	3.2
410.56036	1.3
423.23969	1.4
447.23218	2.4
459.27545	2.8
465.24524	16.9
473.16003	1.6
491.16779	9.6
491.22702	5.6
509.23477	100.0
510.23920	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.34
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86292	0.9
55.05507	2.1
56.05019	1.3
60.08163	15.9
61.40488	0.9
62.06112	5.4
67.05511	3.4
69.07076	2.8
69.90239	5.3
71.07375	6.4
79.05512	0.9
81.07056	2.2
83.08624	1.1
85.16799	0.9
86.09707	47.3
90.56456	0.8
91.05505	1.2
93.07079	1.3
95.08613	2.9
98.98457	5.8
104.10745	82.4
107.08616	0.9
109.10173	1.2
125.00002	28.2
133.01799	0.9
135.11729	0.9
146.87997	0.8
155.38899	1.0
184.07341	100.0
227.38364	1.1
258.10989	1.2
325.27463	1.7
337.27493	2.1
391.95544	1.0
432.61761	0.8
463.84375	1.0
490.32693	5.3
508.34119	18.1
513.84216	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	20.2
57.03416	4.9
57.07083	15.2
58.36568	3.0
62.05835	2.9
62.06088	38.6
63.05007	2.8
67.05510	18.2
68.55835	2.9
69.07061	24.8
69.89256	13.1
70.81644	3.6
70.95157	3.0
71.08613	7.6
79.05536	4.0
81.07053	23.1
82.07400	4.3
83.08620	17.0
85.06544	3.3
91.62226	3.3
93.07001	3.9
95.08592	15.4
97.10152	9.3
98.20815	4.8
98.98482	9.0
107.08591	5.5
109.10128	8.7
121.10135	5.4
128.89299	3.0
136.93933	3.3
155.01027	10.3
166.76688	3.5
203.19298	3.1
216.06366	4.4
293.28397	4.0
336.32590	13.9
367.32059	100.0
392.61838	3.0
414.04532	3.0
468.69464	2.9
508.40945	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	509.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.7
57.03415	0.3
67.05502	2.2
69.07068	2.3
70.05148	0.4
70.05576	1.1
71.04992	3.3
73.21468	0.3
79.05500	1.5
81.03392	0.7
81.07056	5.2
83.08607	0.5
85.02827	0.3
91.05434	1.0
93.07015	1.3
95.08599	3.5
97.02865	0.4
97.06490	0.4
99.12796	0.3
101.00846	0.8
105.06985	0.8
107.04918	0.6
107.08585	0.7
109.06522	0.4
109.10118	1.0
119.01919	2.9
119.08539	0.9
121.06467	0.4
121.10118	0.6
127.00032	0.4
127.03900	0.5
131.01924	0.5
133.10075	0.3
135.11665	0.8
137.02904	0.6
143.01881	2.3
145.10081	0.7
147.11650	0.3
157.03452	2.2
161.02962	3.4
163.11180	0.7
167.03159	0.4
173.02948	0.5
175.04527	2.5
185.02913	0.9
187.00844	1.3
201.03706	0.5
203.03941	1.3
203.05278	1.3
213.06042	0.7
217.05659	0.6
226.05698	0.3
227.05417	0.7
227.07509	0.7
227.12659	0.7
229.01917	1.0
243.04825	0.6
245.06355	7.3
255.06999	0.4
271.04257	1.0
283.15308	0.3
287.03708	9.6
289.05286	100.0
290.05585	0.4
332.42578	0.3
347.65549	0.3
406.46381	0.4
423.22815	0.4
461.75903	0.3
465.24530	4.8
509.23587	50.5
509.30304	3.1
510.23544	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04143	0.2
55.05494	0.9
56.05016	0.9
57.03423	0.4
58.06595	0.5
60.07880	0.4
60.08166	5.9
62.06089	1.4
67.05489	0.9
69.07060	0.7
70.30687	0.6
70.31067	0.6
71.07373	3.0
79.05471	0.4
81.07055	0.8
83.08591	0.5
86.09708	29.8
93.07067	0.4
95.08587	0.6
97.10138	0.3
98.21450	0.3
98.98464	3.4
104.10722	2.7
109.10176	0.3
113.00009	0.4
119.79721	0.3
121.10167	0.3
125.00006	22.3
143.01057	0.3
153.18767	0.3
172.87370	0.3
184.07343	100.0
185.07651	0.6
186.96732	0.4
204.97870	0.4
258.11053	0.3
270.22910	0.3
305.13538	0.3
325.27319	0.4
335.25684	0.4
429.98483	0.3
490.32724	0.6
508.18701	0.3
508.34009	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.3
51.91549	0.1
52.04998	0.2
53.03934	0.8
55.01860	0.4
55.05509	0.2
65.54557	0.2
67.05489	0.3
68.05034	0.3
69.07056	0.5
77.03921	0.3
79.05481	1.7
80.05016	1.4
81.03410	0.3
81.07034	0.3
82.14975	0.2
87.04468	1.3
93.07030	0.2
95.04956	2.4
105.04498	0.3
107.04943	100.0
108.05277	0.6
118.16132	0.1
119.08615	0.2
121.06532	0.2
123.61602	0.2
136.07541	1.3
146.66095	0.2
148.07558	11.0
160.11160	0.1
162.09114	0.5
166.08636	0.8
177.04160	0.2
187.56136	0.2
192.13876	0.5
229.43410	0.2
236.18976	0.2
242.15352	0.4
260.16437	7.6
272.12863	0.2
278.17435	1.2
290.49789	0.2
294.09836	0.2
296.18542	21.2
297.18851	0.3
308.18701	0.4
379.17331	0.6
400.21213	0.9
401.21588	0.3
402.22720	30.3
403.23038	1.0
424.31033	0.2
508.26901	9.1
509.27243	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.3
50.95853	0.2
51.02365	0.4
53.03936	1.3
55.01866	0.4
55.05498	0.6
57.07079	0.4
67.05490	0.6
69.07058	1.3
70.04055	0.2
70.08315	0.9
70.08699	0.4
72.08148	0.5
77.03919	0.3
79.05488	2.3
80.05025	1.1
81.03401	0.4
81.07041	0.6
83.08635	0.3
85.02877	0.4
86.74310	0.2
87.04463	1.3
91.05471	0.8
93.07030	0.7
94.06540	0.3
95.04961	2.2
95.08603	0.5
97.02866	0.2
105.04520	0.5
105.07031	0.7
107.04948	100.0
108.05260	1.3
109.10139	0.3
118.06568	0.3
119.08620	0.2
120.08073	0.5
121.06446	0.2
123.08067	0.2
133.06554	0.2
133.10188	0.3
136.07588	1.8
143.08533	0.2
148.07564	9.4
162.09134	0.4
166.08632	0.8
182.33052	0.2
197.07310	0.5
210.14938	0.2
219.14993	0.2
232.17039	0.3
242.15475	0.7
260.16455	7.5
278.17487	1.0
296.18552	20.4
297.18872	0.4
308.18661	0.5
325.12097	0.3
379.17303	0.4
400.21341	0.7
402.22729	27.2
403.23117	0.7
474.62146	0.2
508.26987	11.5
508.35489	1.2
509.27332	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01841	3.0
53.03939	5.0
55.01865	7.6
55.05503	28.7
57.03431	15.0
62.06078	4.4
65.03925	5.2
67.05181	3.4
67.05505	51.1
69.06736	3.4
69.07070	44.8
70.22647	12.6
71.04972	3.8
79.05494	50.2
81.03381	3.3
81.07060	52.7
82.06567	3.8
83.04976	8.5
83.08612	13.0
83.09054	2.9
84.04489	3.4
84.08110	4.8
91.05479	42.1
93.07042	40.4
95.04956	13.1
95.08611	33.1
95.64722	2.5
95.95715	3.1
97.06544	11.3
97.10151	10.2
98.98460	9.7
99.08110	5.0
103.05465	3.1
104.06284	3.0
105.07034	35.5
107.04932	8.7
107.08591	29.9
109.06535	7.3
109.10156	11.6
111.08067	5.4
117.07027	12.3
119.08571	23.7
121.10136	12.6
123.08083	4.1
124.11218	6.3
125.09637	8.4
129.06967	7.4
131.08609	17.1
133.10104	19.6
135.11678	12.5
142.02682	3.8
142.35118	3.4
143.08580	4.5
145.10184	17.8
147.11684	13.4
149.09634	7.2
149.13258	8.8
151.11185	3.5
157.10130	7.7
159.11694	10.9
161.09645	5.1
161.13225	7.0
163.11153	11.2
171.11699	4.0
173.13211	5.4
177.12741	10.0
179.14253	5.7
189.11232	9.9
195.13806	5.9
196.13387	4.0
204.63292	3.3
215.17885	3.7
216.06345	6.1
238.18053	3.3
239.17931	4.1
255.15839	9.6
257.19003	8.0
266.51590	3.1
267.16049	4.1
269.17450	21.4
270.17041	5.3
275.20093	29.5
293.21143	4.3
318.24393	6.7
321.24252	3.3
331.22696	9.6
349.23718	100.0
350.23990	3.3
367.24789	35.5
374.17358	3.9
392.18292	15.9
472.24442	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	508.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.01874	5.6
55.05273	1.5
55.05515	20.1
57.03438	7.8
57.07059	1.7
62.06067	2.3
65.03928	1.8
67.05506	29.9
69.03410	3.0
69.07068	12.4
71.04961	1.5
71.08283	1.2
71.08633	17.4
71.59306	1.4
79.05491	21.0
81.03426	7.3
81.07059	27.8
83.04974	6.4
83.08633	9.1
85.02858	0.9
85.06540	2.4
86.09698	1.2
91.05488	18.7
93.07043	16.7
95.04968	10.3
95.08046	1.1
95.08606	12.0
95.31101	0.8
97.06536	3.4
97.10172	9.2
97.71661	0.9
98.98462	6.0
99.07487	1.1
99.08096	14.2
104.10761	0.9
105.07029	16.8
107.04957	7.1
107.08592	15.0
108.08244	0.8
109.06508	3.8
109.10161	15.1
111.04454	1.4
111.08075	2.4
117.07023	3.2
119.08577	5.3
121.06516	3.6
121.10124	5.9
123.08045	2.9
123.11678	2.3
125.09628	7.5
129.06989	1.6
131.08580	4.4
133.06532	1.1
133.09129	1.0
133.10127	18.8
135.08038	2.6
135.11694	3.7
137.09578	2.8
139.11143	2.0
143.08559	1.8
145.10143	2.9
147.11674	3.6
149.09583	2.6
149.13232	2.1
151.11180	10.8
153.09138	2.1
157.10150	1.1
159.11676	1.7
161.09573	1.0
161.13263	0.9
163.11232	2.1
164.31619	0.8
165.09117	1.5
165.12776	1.9
167.10686	1.7
169.12202	1.3
171.10045	0.9
173.02090	1.4
173.09679	1.1
173.13275	2.0
177.12724	4.0
179.10692	1.0
183.10059	1.0
184.07326	2.1
189.11203	3.8
193.12190	1.4
195.13860	1.4
215.12732	1.1
216.06316	1.8
222.14790	0.9
227.12756	1.8
247.20642	2.3
253.14384	4.3
257.18942	1.3
265.21481	1.1
267.15906	4.1
273.35077	0.9
275.17233	1.6
275.20081	15.7
282.58557	0.9
293.21115	63.5
294.21344	2.4
307.13147	1.0
318.24338	1.5
331.04440	0.9
336.25290	2.9
349.23721	5.5
367.24796	100.0
368.25027	4.0
423.81888	0.9
429.20465	4.7
447.21347	3.1
490.25562	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	508.267
Annotation	Cytochalasin M
Peak:m/z	Relative Intensity
50.27379	5.5
51.42407	4.5
53.92672	4.3
55.05497	14.5
56.96563	4.5
57.03421	8.4
60.08152	8.1
63.65781	5.3
65.58904	4.3
67.05495	18.4
69.07061	6.2
70.06579	10.4
71.08593	10.2
76.78180	4.3
77.02512	5.2
79.05502	27.2
81.07043	21.8
83.08591	10.2
83.48819	5.4
84.08154	9.8
85.02854	4.5
86.09708	46.2
87.06654	4.8
91.05475	16.4
93.07036	16.1
95.08575	16.2
97.10161	5.0
98.98456	8.6
104.10731	24.7
105.07027	16.9
107.04967	21.1
107.08581	17.7
109.06495	6.2
117.07004	9.2
119.08562	9.3
125.00011	31.6
125.09637	8.0
127.45567	4.9
129.10165	5.3
131.08495	6.4
133.10106	8.2
145.10120	7.6
147.11638	5.5
149.09586	5.3
167.08554	5.3
176.34927	4.4
183.01292	4.5
183.42645	4.8
184.07318	100.0
186.07544	6.2
243.91048	5.5
275.20020	15.6
298.37079	4.9
323.18073	4.9
331.22507	9.3
349.23724	39.8
367.24655	11.7
472.24789	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	508.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01861	4.8
55.05508	16.0
56.05066	1.4
57.03431	2.8
57.07057	1.4
58.58697	1.4
62.06086	14.2
67.05502	14.2
69.03420	2.4
69.07074	13.9
70.06575	1.8
71.08636	17.2
71.59942	1.9
75.71609	1.5
79.05106	1.8
79.05494	15.2
81.03391	3.4
81.07059	15.6
83.04957	3.1
83.08611	4.7
84.08134	1.8
91.05483	8.5
93.07041	9.9
95.04948	5.9
95.08617	7.9
95.83668	1.3
97.10162	8.7
98.98463	25.2
99.08092	11.3
105.07015	8.0
107.04972	5.3
107.08603	10.6
109.06503	3.8
109.10121	7.5
111.08064	3.0
117.06978	2.0
119.08567	5.1
121.06489	5.4
121.10122	3.4
121.37786	1.4
123.08085	2.2
123.11718	1.9
125.09655	7.0
131.08589	3.1
133.10126	8.3
135.08086	3.3
135.11667	3.4
142.02644	1.9
145.10181	1.8
147.08096	1.5
147.11670	1.9
149.09705	2.1
151.11151	7.7
153.09093	5.5
155.01044	6.2
157.98808	2.0
159.11676	1.7
163.11220	2.2
165.12746	2.5
165.37404	1.6
167.10606	1.9
173.02103	4.3
174.38957	1.5
177.12752	5.5
184.07309	3.1
189.11258	2.0
190.26758	1.5
193.12305	2.0
195.13823	3.5
216.06323	2.9
227.12689	2.6
247.86850	2.0
253.14323	4.9
267.15921	2.7
275.20099	16.5
293.21115	100.0
294.21497	2.2
310.96490	1.7
336.25354	4.1
349.23779	8.3
351.21054	1.9
367.24789	83.2
368.25256	2.8
390.23431	2.8
429.20364	48.3
447.21417	21.5
472.24078	2.0
490.25449	5.8
508.26859	4.2
519.68799	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2668
Annotation	Cytochalasin M
Peak:m/z	Relative Intensity
53.03933	1.7
55.01866	3.9
55.05510	20.3
57.03444	6.3
57.07064	1.8
59.04996	1.3
62.06087	1.5
67.05503	22.5
69.03416	1.9
69.07066	13.7
69.53123	6.1
70.06589	1.1
71.05007	0.9
71.08234	1.2
71.08630	22.4
79.05064	1.2
79.05496	17.4
81.03414	6.4
81.07056	20.6
83.04958	4.6
83.08620	8.0
85.06536	1.4
85.10157	1.0
86.09677	1.1
91.05484	9.8
93.07039	10.8
95.04973	5.7
95.08595	8.3
97.06534	2.1
97.10159	11.5
98.21488	1.2
98.98473	4.2
99.08089	16.4
99.08743	1.2
105.07034	6.6
106.68445	0.8
107.04939	5.0
107.08599	11.9
109.06510	1.8
109.10149	8.6
111.08066	1.5
117.07013	3.4
119.08574	3.4
121.06506	3.0
121.10123	3.3
123.08044	2.0
123.11678	1.5
124.01666	0.8
125.09624	8.0
129.07018	1.6
131.08553	2.7
133.10129	6.9
135.08034	1.9
135.11671	2.6
136.83083	0.7
137.09604	2.2
139.11179	1.9
143.08496	1.0
145.10144	1.9
147.11691	1.4
149.09642	1.4
149.13268	1.5
151.11159	4.6
153.92438	0.8
157.10065	0.8
159.11604	1.3
161.09669	0.8
163.11191	1.8
165.12758	1.5
167.10648	1.7
177.12750	2.5
184.07359	1.0
189.11212	3.8
193.12317	1.0
195.13811	1.2
215.85977	0.7
216.06331	0.9
227.12711	2.3
247.20569	0.9
253.14383	1.8
257.19128	1.1
265.21649	1.7
267.15958	1.9
275.20065	8.6
293.21094	67.7
294.21448	2.1
318.24445	1.2
336.25427	1.5
340.42615	1.0
349.23636	3.7
367.24780	100.0
368.25131	2.9
403.48999	0.8
429.20172	2.8
436.41946	0.8
447.21628	2.3
490.26093	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.267
Annotation	Cytochalasin M
Peak:m/z	Relative Intensity
55.05511	26.4
57.03429	23.3
62.06091	11.8
64.45903	4.5
67.05500	90.6
69.07072	41.7
70.22182	20.6
70.43587	4.9
71.04977	7.7
79.05489	72.0
80.05038	9.0
81.03441	5.8
81.07053	100.0
82.06577	5.3
83.04990	15.1
83.08607	15.3
85.06555	6.1
91.05487	50.9
93.07050	51.3
95.04975	16.7
95.08609	47.8
97.06533	15.2
97.10166	6.0
98.98484	16.5
105.07027	34.5
107.04963	9.2
107.08597	40.2
109.06535	12.4
109.10155	22.2
117.07014	15.8
119.08583	29.7
121.10155	16.9
125.09612	8.8
129.05569	6.1
129.07121	5.3
131.08589	22.7
133.10106	27.9
135.08038	9.6
135.11700	21.1
143.08549	10.2
145.10126	14.6
147.11716	14.7
149.09593	12.4
149.13327	12.5
157.10153	5.6
159.11719	24.7
161.13280	10.8
163.11179	8.3
177.12761	8.1
181.16939	5.3
185.13275	7.5
195.13847	14.4
204.10992	6.3
220.16998	9.7
238.17989	11.8
239.17940	6.1
248.82130	5.7
255.15970	19.5
257.19034	10.9
267.19434	5.1
269.17484	51.2
275.20013	45.0
293.21155	6.0
309.20901	7.2
318.24265	6.7
331.22675	15.3
349.23712	82.0
367.24771	73.3
374.17224	17.1
392.18457	34.2
432.21600	9.7
472.24628	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	508.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38198	0.6
53.03939	1.0
54.03490	0.6
55.01865	1.2
55.05505	4.8
56.04773	1.3
56.05031	14.9
57.03422	1.1
58.06590	3.9
67.05489	3.8
68.05033	7.0
69.03416	2.3
69.07049	2.1
70.06586	25.5
71.59615	0.7
72.08160	3.4
74.06075	0.9
79.05481	2.8
80.05032	2.0
81.03414	1.8
81.07048	2.9
82.06573	9.8
83.06096	0.8
83.08605	2.4
84.04494	2.6
84.08136	8.6
85.02908	5.9
86.06065	33.7
86.09705	3.4
87.04485	0.9
91.05482	6.7
92.01419	0.7
92.05800	0.8
93.07047	2.1
94.06561	22.2
95.04951	1.2
95.08592	3.6
96.04480	1.7
96.08119	4.8
97.02873	1.6
97.10171	1.3
98.06094	0.7
98.09676	1.5
100.07605	4.3
100.33131	0.9
102.05525	1.4
105.07036	1.2
106.06559	6.0
107.04951	24.2
107.07317	5.9
107.08595	1.1
108.05268	1.2
108.08109	51.4
109.10163	1.3
110.06049	1.3
110.07178	0.9
110.09677	1.6
114.05522	100.0
116.07114	1.0
117.05749	1.3
118.06522	4.1
119.07304	2.2
119.08597	1.4
120.08102	22.2
121.08869	2.1
122.05994	1.2
122.09667	4.4
124.03036	1.0
124.03947	20.9
124.07590	13.0
128.07069	74.7
129.10187	2.4
130.06497	1.1
131.07297	1.8
132.08069	11.2
133.08896	4.5
134.09653	16.5
136.07558	1.3
136.11157	1.0
137.05983	1.2
138.05432	1.0
140.07066	2.9
142.08617	8.8
144.08087	1.6
146.09608	6.1
147.10432	1.9
147.11629	0.7
148.11215	2.2
149.10724	0.8
151.08653	1.1
152.07150	1.0
157.10036	0.7
160.11235	1.0
164.07019	1.4
168.06511	2.0
169.07378	1.4
172.11186	1.0
174.09366	0.8
174.12727	1.2
176.04282	1.0
177.10196	0.9
178.08612	2.7
184.06049	7.3
186.07625	3.1
190.15872	3.3
191.11786	0.9
193.09695	1.4
197.12836	7.5
203.10312	1.8
206.15388	7.8
214.15948	1.1
216.17641	0.8
218.15392	10.9
224.16443	29.9
230.15468	1.4
234.14737	1.1
236.16425	24.1
240.08681	14.0
240.10867	0.4
241.11800	18.1
242.15419	3.7
244.16902	6.4
248.16440	5.0
249.12376	1.0
250.18106	2.6
251.09134	2.7
252.09494	2.9
253.09662	3.4
260.16473	13.5
261.12372	0.9
262.18002	43.4
264.19388	1.0
274.18002	1.5
276.19711	1.4
285.10760	10.2
288.15915	1.9
293.22238	4.4
306.16971	12.2
307.23859	2.4
319.20148	1.2
319.23767	0.8
325.04114	0.8
333.14386	0.8
337.21115	3.5
346.12817	8.6
349.21039	1.5
351.22815	1.6
371.19653	2.2
381.20026	1.4
389.20767	7.2
400.22165	1.0
418.23459	5.6
444.25000	3.2
446.26633	3.8
454.23431	2.1
462.25742	1.2
464.27634	2.8
472.12000	0.8
472.24408	6.8
490.25461	69.4
491.25757	2.6
508.16406	1.4
508.26541	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.4
57.07072	46.1
62.98740	0.8
64.51617	1.0
67.05497	3.1
69.07063	100.0
70.07487	1.2
70.07850	6.8
71.60085	0.9
79.05483	1.9
81.07072	1.6
85.06520	1.9
89.06001	1.5
91.05499	1.4
95.04975	1.3
96.69916	1.0
98.21452	3.2
99.00013	3.8
103.03120	1.2
103.07605	1.2
105.07018	9.1
106.07387	1.8
113.01533	2.0
115.07571	13.6
119.92410	1.2
126.99445	10.1
129.01019	16.0
136.08673	5.2
138.10271	1.9
139.00539	1.3
141.01012	22.5
148.08678	11.3
149.09467	2.2
151.10988	2.2
154.16359	0.9
155.02599	9.3
161.09625	1.6
176.08167	3.8
178.09796	2.8
197.07263	42.0
225.06754	3.2
233.15295	1.8
234.16104	3.0
235.16725	1.1
348.11072	1.0
360.14694	46.2
362.16266	43.5
378.15778	28.2
406.15262	47.7
508.22183	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01260	0.3
52.93449	0.3
53.03942	1.0
57.03451	0.3
61.02909	0.4
66.46307	0.3
69.03417	1.6
69.67908	2.5
70.06591	1.8
71.04989	0.4
72.08154	0.5
74.00687	0.3
78.03441	2.0
78.68633	0.3
79.05464	0.4
80.05008	1.5
81.03407	5.1
84.04500	0.4
84.08146	0.6
85.02923	1.8
85.53647	0.4
86.09697	0.9
86.63809	0.4
87.04441	0.4
93.59879	0.3
95.04976	0.7
96.04469	1.9
97.02883	1.6
99.04460	0.8
105.07079	0.4
106.02899	10.1
107.04945	49.3
109.02855	3.0
110.07155	0.4
120.08118	0.6
124.03941	100.0
125.83086	0.4
127.03910	1.4
129.10269	0.4
137.05951	1.7
139.46043	0.3
153.12387	0.4
162.02272	0.4
175.86179	0.3
241.02592	0.3
250.07027	3.1
268.08133	93.7
269.08453	0.4
324.11472	1.0
374.12302	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.8
55.01865	11.1
55.05510	2.0
57.03435	5.7
57.07072	14.9
59.05004	1.0
61.02916	6.1
63.28982	0.8
66.60032	0.9
67.05496	3.1
68.99791	3.9
69.03426	31.3
69.07060	3.5
70.04073	4.0
70.06580	2.9
71.04990	5.9
71.59755	1.2
71.60147	1.0
72.08121	1.0
73.02914	10.1
73.14032	0.8
74.76904	0.9
79.05492	1.6
80.05073	1.0
81.03413	35.3
81.07053	2.2
83.08621	1.3
84.08141	1.3
85.02900	100.0
86.06088	0.9
86.09718	0.9
87.00822	34.2
87.04469	1.7
91.03962	2.3
91.05489	2.2
93.07041	1.7
94.06528	1.1
95.06114	1.3
95.08617	1.2
97.02270	2.1
97.02885	33.5
97.06545	1.2
98.06071	1.2
99.04450	19.9
99.08086	46.6
105.01856	40.3
105.02563	1.9
107.04948	15.7
107.08559	1.3
108.04478	3.0
109.02877	39.6
115.03912	1.6
117.01838	4.2
119.08592	1.1
120.08184	0.9
121.02866	5.2
127.03912	74.2
129.01852	4.4
145.00522	2.9
145.04951	43.4
145.06116	1.6
147.02884	2.6
148.12094	1.0
157.00560	3.7
159.02892	28.2
163.11147	0.9
164.08380	0.9
169.00510	2.3
177.03932	2.5
181.00543	1.4
189.03937	2.3
190.13417	6.0
198.37920	0.9
209.03644	2.5
211.01631	3.8
213.03932	4.3
225.06714	5.4
225.12791	1.2
230.15334	1.0
231.05009	22.2
231.07207	1.8
237.10406	1.0
239.08365	2.5
243.07828	36.7
248.07687	1.2
249.06293	2.2
266.08698	1.1
267.07849	6.4
285.08826	13.4
296.17682	2.6
309.08881	8.7
333.09100	1.4
336.25378	1.6
351.09900	11.0
402.21713	4.3
418.34543	1.0
437.09857	1.4
490.31537	2.8
508.19968	2.3
508.26111	3.3
508.32635	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	508.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.5
53.26762	1.2
55.01867	11.8
55.05516	3.3
57.03429	9.0
57.07065	7.1
59.04972	2.1
61.02929	8.4
67.05484	4.9
68.99792	4.1
69.03072	3.0
69.03425	37.2
69.07056	4.2
70.04082	7.1
70.06580	4.6
71.04984	5.8
71.59888	1.6
73.02910	12.2
79.05480	4.1
81.02977	2.2
81.03420	37.5
81.07057	5.9
83.08607	2.1
85.02903	100.0
86.09692	2.9
87.00830	27.2
87.04466	3.0
91.03948	4.7
91.05469	5.7
93.07056	2.8
95.04958	3.2
95.08597	2.8
97.02888	35.8
97.06615	1.5
99.04458	18.5
99.07468	2.3
99.08091	30.2
101.02371	1.3
105.01860	37.3
105.07023	5.7
107.04957	9.8
107.08595	1.7
108.04461	2.2
108.05242	1.3
108.08112	1.5
109.02874	39.3
109.10114	1.8
115.03907	2.5
117.01828	6.0
121.02857	4.3
121.06551	2.3
121.10132	2.4
127.03912	77.4
129.01814	4.0
131.08554	1.4
132.09305	1.7
145.04961	43.1
145.06120	2.1
147.02881	4.5
154.98949	3.8
159.02902	28.4
177.03987	1.6
184.07381	2.5
189.04034	1.6
207.98120	1.9
211.26404	1.6
213.03893	2.8
225.06754	20.3
225.12817	2.4
231.04987	19.7
243.07832	31.1
249.05859	2.7
334.50336	1.6
336.25229	2.6
422.32825	2.0
490.19891	2.0
508.20477	2.7
508.32523	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
55.01872	1.7
55.05506	34.2
57.03436	12.0
57.07075	21.8
58.07419	1.4
59.04984	1.6
63.20202	1.1
65.03936	2.5
67.05499	100.0
69.03413	3.8
69.07062	20.4
70.58727	1.4
71.04978	5.7
71.08622	17.7
71.60432	2.0
73.02893	5.3
79.05486	35.2
80.05471	1.7
81.03395	2.8
81.07050	66.8
82.63182	1.3
83.04960	2.1
83.08611	19.1
85.06531	2.4
85.10171	6.5
87.04455	2.7
89.06021	10.9
91.04952	2.6
91.05475	26.1
93.07033	39.9
95.04972	6.1
95.08595	47.5
97.06523	3.4
97.10165	21.8
99.08120	2.5
102.06750	2.2
105.07024	22.3
107.04949	2.4
107.07104	1.4
107.08584	32.4
109.06510	1.6
109.10143	58.9
110.82722	1.3
111.08088	4.4
111.11676	1.3
117.06985	9.3
119.08573	25.0
121.06506	6.1
121.10126	19.3
123.08088	1.8
123.11708	12.7
125.09610	12.6
127.94217	1.3
128.83359	1.2
129.06993	3.8
131.08559	14.0
133.08629	3.3
133.10126	14.2
135.08044	2.5
135.11679	13.9
137.09587	2.2
137.13263	2.0
139.11160	2.1
143.08595	2.2
145.10081	7.6
147.08095	2.0
147.11665	9.7
149.13216	9.7
153.09097	1.5
155.08551	2.0
155.10638	1.5
156.97490	2.3
157.10104	3.8
158.87378	1.4
159.11678	8.4
161.13196	7.1
163.14862	3.5
171.11661	4.4
173.11711	11.2
173.13254	5.5
174.98572	2.2
175.14897	2.5
176.99268	6.7
177.12656	1.6
182.75673	1.5
185.13286	2.9
187.14825	4.2
189.11209	9.7
189.16496	1.6
195.00293	73.5
199.14993	1.4
213.00084	5.3
223.79442	1.5
227.12738	10.8
229.14320	27.6
231.15614	1.5
238.85760	1.4
243.21039	3.5
259.20630	2.6
261.22107	25.2
263.23746	1.8
268.30060	2.0
269.30252	3.5
275.19934	1.5
276.49951	1.6
279.22906	1.3
291.22873	2.0
309.46790	1.3
313.27332	21.5
317.24750	3.1
333.24277	1.9
335.25760	20.2
379.29712	2.4
383.41272	1.5
397.30908	8.0
415.31937	10.2
433.33273	8.4
451.23108	1.8
452.67416	1.8
471.34561	4.1
489.35742	45.8
489.42767	3.0
506.86063	4.5
507.26685	26.8
507.36719	37.1
507.44382	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	507.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
55.01872	1.7
55.05506	34.2
57.03436	12.0
57.07075	21.8
58.07419	1.4
59.04984	1.6
63.20202	1.1
65.03936	2.5
67.05499	100.0
69.03413	3.8
69.07062	20.4
70.58727	1.4
71.04978	5.7
71.08622	17.7
71.60432	2.0
73.02893	5.3
79.05486	35.2
80.05471	1.7
81.03395	2.8
81.07050	66.8
82.63182	1.3
83.04960	2.1
83.08611	19.1
85.06531	2.4
85.10171	6.5
87.04455	2.7
89.06021	10.9
91.04952	2.6
91.05475	26.1
93.07033	39.9
95.04972	6.1
95.08595	47.5
97.06523	3.4
97.10165	21.8
99.08120	2.5
102.06750	2.2
105.07024	22.3
107.04949	2.4
107.07104	1.4
107.08584	32.4
109.06510	1.6
109.10143	58.9
110.82722	1.3
111.08088	4.4
111.11676	1.3
117.06985	9.3
119.08573	25.0
121.06506	6.1
121.10126	19.3
123.08088	1.8
123.11708	12.7
125.09610	12.6
127.94217	1.3
128.83359	1.2
129.06993	3.8
131.08559	14.0
133.08629	3.3
133.10126	14.2
135.08044	2.5
135.11679	13.9
137.09587	2.2
137.13263	2.0
139.11160	2.1
143.08595	2.2
145.10081	7.6
147.08095	2.0
147.11665	9.7
149.13216	9.7
153.09097	1.5
155.08551	2.0
155.10638	1.5
156.97490	2.3
157.10104	3.8
158.87378	1.4
159.11678	8.4
161.13196	7.1
163.14862	3.5
171.11661	4.4
173.11711	11.2
173.13254	5.5
174.98572	2.2
175.14897	2.5
176.99268	6.7
177.12656	1.6
182.75673	1.5
185.13286	2.9
187.14825	4.2
189.11209	9.7
189.16496	1.6
195.00293	73.5
199.14993	1.4
213.00084	5.3
223.79442	1.5
227.12738	10.8
229.14320	27.6
231.15614	1.5
238.85760	1.4
243.21039	3.5
259.20630	2.6
261.22107	25.2
263.23746	1.8
268.30060	2.0
269.30252	3.5
275.19934	1.5
276.49951	1.6
279.22906	1.3
291.22873	2.0
309.46790	1.3
313.27332	21.5
317.24750	3.1
333.24277	1.9
335.25760	20.2
379.29712	2.4
383.41272	1.5
397.30908	8.0
415.31937	10.2
433.33273	8.4
451.23108	1.8
452.67416	1.8
471.34561	4.1
489.35742	45.8
489.42767	3.0
506.86063	4.5
507.26685	26.8
507.36719	37.1
507.44382	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	507.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.2
55.01869	1.7
55.05510	25.3
57.03435	6.5
57.06816	1.5
57.07080	15.8
59.04994	2.8
65.03926	4.2
67.05502	100.0
67.55215	1.4
69.07068	20.6
70.02672	2.4
70.03085	6.1
71.04983	5.8
71.08635	6.5
76.65999	1.3
79.05485	29.3
79.34332	1.7
81.07054	74.2
83.04986	3.4
83.08614	20.9
85.06526	3.4
85.10172	4.3
89.06020	4.9
91.05473	24.8
93.07039	41.5
95.04967	5.4
95.08604	44.2
97.06522	6.0
97.10176	16.0
99.08073	2.5
105.07026	24.0
107.08579	25.2
109.06470	2.8
109.10148	52.5
111.08075	3.8
111.11707	2.8
111.58353	1.4
117.07021	6.8
119.08566	16.7
121.06483	2.8
121.10138	17.3
123.08072	1.7
123.11691	9.8
125.09636	10.7
129.07056	2.2
129.18045	1.6
131.08577	15.9
133.08595	3.0
133.10121	12.2
135.08090	2.5
135.11685	13.4
137.09625	3.2
137.13246	2.3
143.08611	2.3
145.10109	8.6
147.11642	7.6
149.13246	10.4
155.10715	2.0
157.10176	2.5
159.11703	8.1
161.13252	6.3
163.14825	3.4
169.10129	1.6
171.11678	3.4
173.11728	15.2
173.13274	6.9
175.14819	1.7
177.16531	1.5
185.13155	1.6
187.14848	3.9
188.42435	1.4
189.11211	7.6
195.13847	3.0
199.14752	2.2
201.16394	1.5
227.12782	12.0
229.14322	30.3
231.15918	2.7
243.21091	3.5
259.20645	4.1
261.22128	22.5
290.83282	1.6
317.24777	3.4
329.24658	1.5
335.25748	16.3
379.30124	3.0
397.31207	6.9
415.31961	7.1
425.18045	1.4
433.33121	6.3
441.23346	1.5
471.34592	3.2
489.35742	31.7
507.36725	16.1
507.40344	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.9
54.78550	1.4
55.01866	3.0
55.05261	2.2
55.05507	33.1
57.03430	10.1
57.07074	17.5
59.04985	3.3
63.20881	1.5
65.03916	4.0
67.05499	100.0
69.03398	1.4
69.06717	1.9
69.07059	23.2
71.04972	4.5
71.08627	9.2
79.05488	35.6
81.03395	3.2
81.07053	80.6
83.04964	3.5
83.08614	19.9
85.06521	5.0
85.10153	4.3
87.04474	2.2
89.06033	10.5
91.05472	26.6
93.06461	2.8
93.07035	47.3
95.04945	4.5
95.08598	52.8
97.06534	11.9
97.10169	18.1
98.21527	2.8
99.08044	3.7
102.28778	1.5
103.05417	2.3
105.07020	42.6
106.59981	1.3
107.08588	32.7
109.06482	2.0
109.10147	62.5
111.08069	4.6
112.00267	1.4
113.09632	1.9
117.07038	8.4
119.08564	19.2
121.06469	6.2
121.10133	19.4
123.08046	2.2
123.11693	12.0
125.09630	15.1
129.06996	3.2
131.08554	12.7
133.08615	3.2
133.10120	16.1
135.08040	3.3
135.11693	14.3
137.09598	2.7
137.13260	3.8
139.11099	2.1
141.06908	1.5
143.08569	2.8
145.10117	13.1
147.11659	12.2
149.13245	13.6
155.10674	1.9
157.10098	2.6
159.11649	11.4
161.13235	6.2
163.14827	3.3
169.10045	1.7
171.11589	2.5
173.11688	11.7
173.13263	8.9
175.14828	4.1
185.13271	3.2
187.14781	4.1
189.11237	12.2
195.13783	4.3
199.14798	1.8
219.17236	2.0
227.12755	10.2
229.14333	33.4
231.15961	2.4
237.47070	1.5
239.23784	1.7
243.21034	3.9
259.20590	3.5
261.22107	29.2
263.23694	3.9
269.15326	2.1
277.21606	2.2
279.23270	2.6
291.23486	1.6
317.24759	3.0
335.25739	24.1
379.29819	3.5
397.30920	7.6
415.32050	10.2
433.33484	7.1
435.31580	2.0
471.34497	5.4
489.35669	45.9
507.35620	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	507.293
Annotation	Ixabepilone  
Peak:m/z	Relative Intensity
53.03954	0.7
55.05499	1.6
56.96554	0.9
57.03433	1.2
61.02928	0.5
67.05499	4.1
69.03428	0.9
69.07069	2.1
71.04985	0.6
71.60282	0.7
73.02877	0.7
79.05495	4.0
81.03412	1.0
81.07053	3.7
83.04969	0.8
83.08608	1.4
85.02915	0.8
91.05479	3.4
93.07041	3.5
95.04962	1.8
95.08585	2.4
97.02872	0.9
97.06525	0.9
97.10172	0.9
98.97534	0.6
105.07034	2.9
107.04947	3.4
107.08585	1.4
109.02809	0.4
109.10142	1.0
116.98651	0.5
117.07038	0.7
119.08575	1.3
120.04542	0.5
121.06510	1.0
121.10126	0.8
121.36576	0.5
122.63139	0.4
123.11725	0.6
129.06972	0.7
131.08578	1.0
133.10118	1.5
135.11697	0.5
143.08600	0.6
145.10159	1.2
146.36646	0.4
147.11678	1.1
149.09612	0.5
161.13290	0.4
163.11212	0.7
171.11716	0.5
201.03784	0.5
207.13829	1.0
209.11665	0.8
219.01538	0.4
257.53363	0.4
279.15915	0.5
283.15399	1.0
287.03738	0.6
419.23697	2.5
421.21988	0.6
463.22876	1.5
475.20557	2.0
489.28458	0.9
507.29260	100.0
508.29471	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.1
57.03433	7.1
62.30127	2.6
67.05510	35.0
69.07056	10.9
69.71023	15.0
79.05495	20.2
81.07059	47.7
83.08606	4.8
89.31966	2.3
91.05477	11.1
93.07059	24.4
94.45075	2.6
95.08603	35.5
97.10178	3.2
98.20750	4.3
98.98465	79.9
105.07025	8.2
107.08591	12.2
109.10197	11.3
116.99505	3.8
117.07007	3.5
117.99213	2.4
119.08584	5.6
121.10150	10.9
123.11694	3.6
129.08090	2.3
131.08524	3.5
133.10127	5.4
135.11682	5.8
145.10130	3.1
147.11700	4.8
149.13226	3.5
155.01027	6.1
171.82352	2.9
173.02132	14.6
240.76041	2.3
243.21124	3.6
247.05774	3.4
261.22171	11.0
317.24738	4.1
335.25797	100.0
336.26065	3.8
439.02536	2.6
452.74719	2.3
466.41254	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.7
55.05500	8.0
57.03427	10.4
58.97441	3.2
67.05505	38.3
69.07060	10.3
70.31471	3.4
70.31810	12.0
71.63651	2.7
73.53473	2.5
79.05484	22.1
81.06635	4.2
81.07063	39.2
83.08609	5.4
91.05466	11.3
93.07043	23.7
95.04948	2.9
95.08601	26.4
98.98466	77.0
99.09396	3.3
101.76442	2.7
105.07025	7.8
107.08590	14.0
109.10177	14.3
117.06977	3.6
119.08573	8.4
121.10135	9.2
123.11725	6.2
131.08578	5.9
133.10100	3.7
135.11688	5.6
145.10126	4.5
149.13254	3.4
155.01041	5.8
159.11684	3.9
163.14735	3.1
173.02081	10.7
243.21030	4.5
261.22156	9.5
317.24811	5.1
335.25809	100.0
336.26154	4.8
404.74533	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
55.05510	14.7
57.03431	10.6
57.07058	3.7
60.33197	1.6
65.03913	2.0
67.05499	62.5
68.05833	5.3
69.07063	13.2
69.40857	1.7
69.75907	2.3
69.76312	9.3
71.04967	1.7
79.05058	3.1
79.05487	36.3
81.03410	2.2
81.06575	2.7
81.07050	47.4
83.04958	2.7
83.08611	8.6
85.06516	2.0
88.89828	1.6
91.05478	22.8
92.05804	1.7
93.07035	39.4
95.04922	2.7
95.08597	36.8
96.08934	1.9
97.06535	1.8
97.10149	4.0
98.21458	3.4
98.98457	57.5
105.07038	18.5
106.07363	3.2
107.04957	2.4
107.08591	24.7
109.06484	1.5
109.10147	29.4
110.10490	4.6
111.08070	1.7
112.95105	1.7
116.99533	2.2
117.07004	5.7
119.08568	16.6
120.08895	2.9
121.10133	17.3
122.84808	1.5
123.11698	4.0
123.49083	1.4
124.88734	1.5
131.08505	7.4
133.10133	11.7
135.11671	10.5
136.56567	1.6
137.13234	2.5
145.10153	8.0
147.11688	9.1
148.11938	1.9
149.13248	7.3
155.01027	19.4
159.11679	5.8
161.13231	5.3
163.14815	4.4
173.02119	7.5
173.11800	2.2
173.13257	4.9
175.14813	2.3
177.16364	2.1
197.07413	1.8
199.14861	2.1
215.06209	3.2
227.98958	1.6
229.04686	2.8
229.14156	3.4
230.14493	3.5
231.14728	3.1
242.19693	1.7
243.21101	7.4
247.05696	3.6
259.20529	3.2
260.20853	2.9
261.22095	17.9
288.60593	2.1
291.02335	2.4
317.24683	12.0
335.25757	100.0
336.26163	3.8
419.17563	4.1
471.25168	3.0
507.35590	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	507.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	9.7
57.03426	5.5
57.07076	29.6
59.96265	2.4
67.05511	13.6
69.07063	10.6
70.09035	5.7
70.09444	6.8
71.08633	19.9
79.05485	7.4
81.03443	4.4
81.07063	19.5
83.08627	9.9
85.10192	9.4
85.92316	2.3
91.05474	3.4
93.07034	6.6
95.08598	17.0
97.10179	5.3
99.10854	2.1
102.87630	2.5
107.08588	3.0
107.50307	2.4
109.10155	8.0
119.08620	2.4
123.11791	3.6
132.33093	2.2
135.11731	3.0
140.00522	2.5
163.12379	2.4
176.99239	31.1
186.73610	2.6
195.00307	79.8
213.00070	10.6
213.02003	2.4
269.03946	5.1
313.27356	36.5
353.26868	4.2
415.22357	11.9
433.23605	4.0
451.22940	4.5
451.50031	2.9
489.26120	11.5
507.26941	100.0
507.32846	3.8
507.39917	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	506.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
55.05513	4.3
56.05030	3.4
57.03426	1.7
57.07063	2.6
58.06596	1.0
59.05000	0.6
60.04265	0.8
60.04528	9.7
60.05647	0.7
61.02911	2.6
67.05510	4.0
69.03426	6.2
69.07066	5.5
70.02943	2.7
70.06590	2.0
70.51511	2.1
71.04995	1.1
72.04153	1.1
72.04520	14.1
72.08155	27.2
73.02888	1.1
74.06078	1.4
76.09190	0.6
79.05482	2.1
81.03408	3.0
81.07066	5.1
83.08632	4.2
84.04495	2.4
84.08137	1.1
85.02908	15.6
85.10177	1.1
86.01041	0.6
87.04463	0.7
89.35750	0.7
90.05048	1.3
90.05555	15.7
90.09183	0.9
91.03925	1.2
91.05477	0.8
93.07034	1.8
95.08608	3.9
97.02882	5.0
97.06560	1.2
97.10162	2.0
98.06049	1.7
98.09682	0.9
99.04449	1.3
109.02886	1.9
109.10154	1.9
121.10166	1.3
126.05559	1.1
127.03928	2.3
135.11667	1.0
145.01901	0.6
145.04977	1.7
170.05830	1.1
174.21465	0.7
228.53314	0.7
252.26884	2.1
266.24792	2.8
268.26398	1.2
270.27936	5.3
278.24915	1.6
280.26340	6.4
282.27835	0.8
296.25815	4.0
298.27408	19.7
299.27902	0.8
308.25836	6.9
326.26886	14.8
337.27341	3.4
344.27948	100.0
345.28098	3.8
506.32327	1.1
507.18826	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	506.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.1
57.03402	0.6
57.07072	9.4
57.07339	0.4
58.06596	8.6
59.64072	0.3
63.23104	0.3
67.05463	1.0
69.07060	4.7
70.06548	1.1
70.17313	0.3
71.08291	0.4
71.08617	4.5
73.02894	0.6
79.05446	1.2
80.58060	0.3
81.03387	0.4
81.07024	1.0
82.07371	0.3
83.08612	2.4
84.08906	0.3
85.10181	2.5
87.04446	0.9
88.07590	1.2
89.06027	4.5
89.87058	0.3
90.06359	0.6
91.05443	1.3
93.06995	1.1
94.07391	0.4
95.04932	0.7
95.08564	0.8
97.06532	0.3
97.10129	1.3
102.09142	0.5
103.05419	0.8
105.07024	10.9
106.07349	2.8
107.04911	0.7
107.08578	0.5
109.10115	0.8
121.06480	2.7
121.10115	0.4
122.06775	0.6
131.08546	0.6
133.08557	1.4
134.08913	0.5
145.06398	0.5
147.08023	1.1
174.98544	0.5
175.98524	0.5
176.99223	0.9
188.92482	1.2
194.98512	0.6
195.00284	12.7
196.00687	1.6
213.00082	1.2
214.00253	0.5
226.93956	0.4
230.12885	0.4
230.14908	0.4
242.41597	0.3
244.95039	0.6
268.29962	80.3
269.30371	1.1
270.02737	0.6
278.83243	0.3
284.83820	0.3
304.05685	0.4
312.26404	1.7
312.32611	3.9
313.26935	0.4
356.35172	1.0
392.16928	0.4
414.21011	0.5
506.25922	3.7
506.44122	100.0
506.85840	2.2
507.26816	0.6
507.43979	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
55.05513	4.3
56.05030	3.4
57.03426	1.7
57.07063	2.6
58.06596	1.0
59.05000	0.6
60.04265	0.8
60.04528	9.7
60.05647	0.7
61.02911	2.6
67.05510	4.0
69.03426	6.2
69.07066	5.5
70.02943	2.7
70.06590	2.0
70.51511	2.1
71.04995	1.1
72.04153	1.1
72.04520	14.1
72.08155	27.2
73.02888	1.1
74.06078	1.4
76.09190	0.6
79.05482	2.1
81.03408	3.0
81.07066	5.1
83.08632	4.2
84.04495	2.4
84.08137	1.1
85.02908	15.6
85.10177	1.1
86.01041	0.6
87.04463	0.7
89.35750	0.7
90.05048	1.3
90.05555	15.7
90.09183	0.9
91.03925	1.2
91.05477	0.8
93.07034	1.8
95.08608	3.9
97.02882	5.0
97.06560	1.2
97.10162	2.0
98.06049	1.7
98.09682	0.9
99.04449	1.3
109.02886	1.9
109.10154	1.9
121.10166	1.3
126.05559	1.1
127.03928	2.3
135.11667	1.0
145.01901	0.6
145.04977	1.7
170.05830	1.1
174.21465	0.7
228.53314	0.7
252.26884	2.1
266.24792	2.8
268.26398	1.2
270.27936	5.3
278.24915	1.6
280.26340	6.4
282.27835	0.8
296.25815	4.0
298.27408	19.7
299.27902	0.8
308.25836	6.9
326.26886	14.8
337.27341	3.4
344.27948	100.0
345.28098	3.8
506.32327	1.1
507.18826	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	506.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20190	1.5
53.03950	1.4
54.61597	1.3
55.05512	20.4
57.03430	5.6
57.07082	8.5
60.12389	1.5
62.06092	37.3
65.03938	1.5
67.05505	49.7
68.05830	1.5
69.03446	1.6
69.07066	19.7
69.69830	8.6
69.70241	2.7
71.08637	7.8
74.41007	1.4
79.05496	10.0
81.03419	6.7
81.07056	41.2
83.08624	13.2
85.10180	4.3
91.05468	8.0
93.07056	11.9
94.07414	1.8
95.04980	3.0
95.08604	33.0
96.08945	1.7
97.06532	1.8
97.10157	7.5
98.98463	12.8
99.08112	1.5
99.66770	1.6
105.07043	6.2
106.83536	1.5
107.08601	9.4
109.10159	15.4
119.08585	3.4
121.10136	9.7
123.11719	5.6
124.01659	1.9
131.08531	1.8
133.10144	4.2
135.11740	4.2
137.13248	3.1
142.02693	2.3
145.10164	2.1
147.11722	4.0
148.12021	1.9
149.13335	2.4
155.01065	9.2
156.97418	1.7
161.13249	2.7
163.14854	2.7
173.02156	3.0
175.14796	1.5
185.55383	1.6
195.00325	19.7
196.74770	1.7
198.05191	1.8
213.00099	2.4
216.06354	4.5
229.14452	3.1
230.14758	2.1
259.20639	2.4
260.20883	1.7
273.25778	2.2
291.26761	7.6
313.27332	5.2
334.31064	17.2
347.29526	3.8
349.93631	1.6
365.30521	100.0
488.31592	2.1
506.38998	2.9
507.26825	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	506.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09163	0.2
50.45564	0.2
55.05518	0.7
56.05033	0.7
58.06615	0.5
60.08164	6.7
67.05502	1.3
69.07050	0.4
71.07375	2.9
71.59733	0.3
74.06059	0.4
81.07063	1.0
81.57981	0.2
86.09707	32.4
91.05470	0.4
91.41451	0.2
93.07027	0.3
95.08629	0.4
98.97838	0.4
98.98461	3.2
104.10746	3.0
123.58897	0.2
123.98708	0.2
125.00007	22.7
126.91285	0.2
143.01070	0.4
146.87683	0.3
149.01213	0.3
153.00546	0.2
155.93082	0.2
184.07341	100.0
185.07637	0.4
199.72528	0.3
217.57841	0.3
244.32536	0.2
323.25806	0.4
359.16495	0.4
359.66864	0.5
360.15652	0.5
488.31461	0.8
506.32327	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01868	1.4
55.05509	5.1
56.05028	1.4
57.03429	1.5
58.99572	1.1
59.04998	6.1
60.04517	1.1
61.02937	2.1
67.05492	3.1
68.05019	1.9
69.03428	5.7
69.52782	2.2
69.53198	4.9
70.06242	1.5
70.06593	16.8
71.04985	1.2
71.22204	1.0
72.08150	4.6
73.01077	0.9
73.02914	6.3
73.06543	2.3
74.06081	1.3
74.08484	0.8
79.05485	3.6
80.92253	0.8
81.03403	2.3
81.07056	1.5
82.06571	1.3
83.08634	4.3
84.04507	17.3
84.08142	5.1
85.02898	4.6
85.19692	0.9
86.06100	1.5
86.09702	8.4
86.99057	1.1
87.00864	1.3
87.04464	100.0
88.03947	1.2
89.06027	26.6
91.03934	1.2
91.05475	13.6
94.06561	1.6
95.04955	5.8
95.08641	1.0
96.04431	0.9
97.02872	3.9
97.06497	2.5
98.06044	3.8
99.04421	1.7
102.05540	1.0
103.05457	1.5
105.06981	1.2
107.04949	98.3
107.07026	2.1
108.05286	1.7
108.08152	1.0
109.02868	1.0
110.07206	2.2
110.09699	1.5
113.06001	18.2
113.07131	1.0
114.05545	6.7
116.01685	5.0
117.09142	2.9
119.04954	8.8
119.08639	1.1
120.08095	3.9
127.03909	3.2
129.10254	2.3
130.05008	4.2
130.08569	1.0
131.04901	3.2
131.07034	11.4
133.06422	1.4
133.08598	16.2
136.07584	1.5
137.05956	4.3
138.09131	2.5
140.10706	1.2
142.04997	7.2
144.01128	2.5
146.06160	1.1
147.04396	7.5
147.07988	1.0
151.03847	1.4
155.01338	1.0
157.08574	3.7
159.08362	2.5
161.05940	1.4
162.02194	12.1
164.04697	1.7
175.03906	14.0
175.09653	5.5
177.11278	4.7
184.09700	10.4
201.11282	2.7
204.65018	1.0
206.15302	1.3
207.06557	7.2
219.12282	3.1
221.13792	1.5
225.01147	1.2
234.14667	1.0
236.06863	1.2
245.13728	1.7
251.09137	63.1
252.15979	8.9
262.11063	6.7
269.13004	1.1
270.63107	1.0
271.10889	1.2
279.13895	5.7
283.17755	1.1
326.19614	6.4
333.18723	2.1
344.20618	11.8
359.19852	1.2
387.19815	1.1
439.25378	2.9
447.16400	3.8
451.23517	1.0
456.27661	1.0
462.22528	8.4
489.15002	4.0
506.23126	10.2
507.16101	2.5
516.76129	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.4
57.03428	0.6
61.02924	0.9
69.03427	2.2
70.06588	4.9
71.15932	1.4
72.08168	1.3
73.02897	0.7
73.06563	1.0
74.06080	0.6
81.03405	1.1
84.04520	0.7
84.08147	1.7
85.02899	5.6
86.09705	2.0
87.04463	4.0
89.06027	100.0
90.06370	0.6
91.03966	0.5
97.02894	2.0
97.74162	0.5
107.04953	29.2
107.07043	4.6
108.05247	0.6
109.02883	0.9
110.07160	1.1
119.04976	0.7
120.08154	0.9
127.03909	1.3
129.10205	1.0
130.08621	0.8
131.07005	1.1
133.08597	59.2
141.07031	0.5
145.04991	0.8
147.04399	1.9
151.09647	0.8
177.11211	22.1
195.12312	1.3
200.06680	0.5
206.64354	0.5
221.13773	4.3
237.02797	0.4
239.14853	4.7
242.37949	0.5
283.17441	4.3
285.33514	0.5
309.19321	0.6
327.20114	75.5
328.20370	1.1
370.35907	0.5
389.32455	0.6
420.65494	0.6
506.27048	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19417	2.6
53.03941	4.1
55.01866	4.9
55.05508	17.6
57.03442	20.1
61.18444	2.3
62.06106	14.0
63.39172	2.3
65.03946	3.8
67.05502	30.8
67.38300	2.3
69.03423	14.5
69.07073	18.0
70.06585	3.3
70.71527	8.5
71.04988	9.3
79.05494	38.2
81.03415	7.5
81.07057	31.6
83.04975	4.8
83.08612	7.6
85.06532	4.8
91.05480	34.7
93.07047	32.7
95.04979	7.2
95.08609	25.2
97.06486	4.7
97.10156	7.7
98.98476	41.1
103.10359	2.9
105.07030	35.2
107.04959	36.1
107.08592	25.2
109.06515	10.0
109.10153	8.2
111.08067	3.7
117.07017	16.4
119.08572	25.7
121.06498	9.9
121.10127	10.3
123.08059	12.1
125.09619	5.9
127.07530	2.6
128.06111	3.2
129.06985	13.0
131.08580	23.7
133.06465	6.3
133.10149	13.0
135.08072	8.1
135.11665	4.5
137.09573	2.9
142.07767	4.3
143.08585	14.4
145.10120	17.7
147.08057	11.8
147.11679	8.8
149.09618	6.8
149.13251	4.1
155.01051	10.0
155.08575	4.1
157.10083	12.6
159.08061	3.0
159.11722	8.5
161.09613	11.6
161.13237	5.5
163.11226	6.1
169.09993	2.9
171.11743	12.7
173.02097	9.5
173.13203	6.0
175.11185	7.5
181.10083	3.1
183.11684	3.3
184.07288	3.8
185.13258	9.6
187.11192	4.1
187.14833	6.3
189.12759	6.5
199.11067	3.1
199.14772	4.9
201.12794	4.0
203.14267	5.1
205.15848	7.2
216.06210	4.1
217.15862	10.2
223.13257	4.8
227.18001	5.1
233.15613	2.9
237.16335	6.2
245.18971	3.8
255.17540	17.9
273.18515	50.6
279.19604	4.8
291.19550	46.2
334.23874	5.2
347.22144	32.2
362.66354	3.4
365.23209	100.0
409.17648	6.5
427.18820	28.1
445.20062	16.3
488.24033	9.2
506.25427	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	506.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.6
55.01871	4.6
55.05506	16.9
57.03430	20.5
62.06091	12.5
67.05513	24.0
67.62215	2.2
69.03434	15.2
69.07069	20.6
70.06586	4.4
70.77667	7.4
71.04976	5.0
79.05495	36.2
81.03417	7.0
81.07059	27.3
83.04955	2.4
83.08608	9.3
91.05482	30.4
93.07043	30.0
93.07574	4.0
95.04985	9.2
95.08616	16.2
96.48119	2.3
97.10182	4.4
98.98472	35.2
105.07013	19.0
107.04958	31.0
107.08603	20.2
109.06518	11.1
109.10156	9.2
111.08103	2.9
117.06992	12.6
119.04939	3.1
119.08576	19.1
121.06505	8.5
121.10160	9.7
123.08067	7.0
125.09631	5.7
129.06990	7.8
131.04961	2.7
131.08563	14.7
133.06535	5.9
133.10135	9.3
135.08064	7.1
135.11678	2.7
137.09608	3.4
141.06998	3.7
143.08575	6.5
145.10097	13.1
147.08063	8.5
147.11705	7.8
149.09637	7.0
155.01079	7.5
157.10149	8.4
159.11719	7.1
161.09647	8.3
161.13243	5.4
163.11115	2.9
169.10223	3.9
171.11699	11.6
173.02104	7.1
173.13165	3.0
175.11211	7.0
177.12708	3.0
183.11710	4.1
185.13275	9.0
187.11128	4.3
187.14882	4.6
189.11195	2.9
189.12753	3.7
190.89644	2.8
199.14778	7.2
203.14278	6.0
205.15927	6.4
206.31667	2.8
210.74680	2.2
217.15822	7.0
223.13339	7.9
227.17914	3.6
235.17139	2.5
237.16394	6.3
245.18932	7.4
255.17383	16.8
273.18494	45.7
279.19623	3.0
291.19543	46.4
294.25449	2.8
316.22794	2.7
329.21185	2.7
347.22159	28.3
365.23236	100.0
409.17618	6.6
427.18759	23.9
445.20044	14.9
488.24170	7.5
506.25424	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	506.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01874	1.1
55.05506	1.8
56.05019	0.6
56.27320	0.5
57.03430	0.8
58.06600	0.9
60.08162	15.3
61.02920	1.1
61.60876	0.5
67.05499	3.7
67.06004	0.5
69.03429	1.4
69.07061	1.3
70.04076	39.0
70.06590	1.5
70.33943	1.0
70.34342	1.1
71.07371	6.2
72.08171	0.7
79.05492	3.4
81.03404	1.1
81.07065	3.4
83.05016	0.6
83.08619	1.0
84.08118	1.0
85.02891	3.3
86.09704	46.0
91.05489	3.1
92.19560	0.5
93.07041	2.8
95.04960	1.7
95.08604	2.6
97.02900	1.1
97.06537	1.0
97.10157	1.2
98.98468	4.6
104.10741	78.7
105.07022	2.8
107.04954	5.1
107.08585	1.6
109.06512	1.1
109.10140	1.0
111.08086	0.6
113.05994	1.9
114.09158	0.8
117.07021	1.2
119.08593	1.9
121.06511	1.2
121.10110	0.8
125.00002	24.3
127.03876	0.9
129.06969	0.9
131.08533	1.0
133.06453	0.9
133.10066	0.9
135.11618	0.8
142.93729	0.5
143.01009	0.6
143.08546	0.9
145.06526	0.5
147.08015	0.6
149.09650	0.8
159.11681	0.6
170.60629	0.5
171.11731	0.7
184.07338	100.0
257.43036	0.5
258.10867	0.8
267.15906	1.8
291.19415	0.9
305.17380	1.2
334.23892	1.0
341.24066	0.5
344.05490	0.7
347.22083	1.5
365.23151	2.1
488.23926	6.4
488.34741	0.7
495.68015	0.5
506.17731	0.7
506.25165	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	506.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16734	3.0
55.01857	8.9
55.05505	9.5
56.05012	3.2
57.03437	23.4
57.07055	3.5
62.06080	11.9
65.03941	3.3
67.05186	3.6
67.05508	52.5
69.03406	4.3
69.07059	8.6
70.06582	13.1
70.36739	9.1
71.04983	7.4
79.05489	34.5
81.03394	7.1
81.07056	30.8
82.91429	2.7
83.04982	5.7
83.08605	8.6
83.15911	3.3
84.08141	5.0
85.06541	14.6
86.09702	26.5
91.05479	31.4
93.07054	26.0
95.04970	100.0
95.08595	16.4
97.06535	8.2
97.10188	5.7
98.98473	23.3
99.04412	3.3
104.10732	3.3
105.07037	22.6
107.04951	23.8
107.08588	19.4
109.06513	47.2
109.10149	6.4
111.08082	5.5
113.05996	55.1
114.09167	13.9
116.67397	2.8
117.07000	8.9
119.08576	15.2
121.06531	7.2
121.10127	7.2
123.08070	5.7
125.00008	12.7
129.06995	9.6
131.08553	20.0
133.06454	5.3
133.10106	10.7
135.08038	26.2
135.11703	8.6
143.08563	8.0
145.10135	13.8
147.08038	7.0
147.11661	3.3
149.09624	7.7
149.13284	4.6
155.01059	7.7
157.10117	6.4
159.11719	10.0
161.09654	8.4
161.13228	5.9
163.11198	10.6
171.11670	5.6
173.02127	4.0
173.13194	3.1
175.11163	4.7
177.12761	7.7
179.14325	4.9
183.11670	4.1
184.07344	61.3
185.13290	5.1
189.12723	3.5
193.12253	3.7
217.15935	9.4
221.15393	4.4
227.17978	3.1
245.18744	3.4
255.17415	9.0
273.18475	45.3
291.19525	73.6
295.19040	10.8
296.73712	3.2
307.18753	3.7
316.22705	5.6
329.21320	3.2
334.23676	6.9
347.22131	44.8
365.23209	51.7
367.24625	4.3
427.18808	47.0
445.19977	15.9
470.22778	4.1
476.25345	3.4
488.24115	9.2
506.24844	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	506.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.7
55.01865	5.8
55.05514	19.1
57.03440	4.5
62.06091	18.4
67.05503	25.9
69.03086	1.8
69.03423	10.1
69.07066	35.4
69.93412	7.9
70.06591	3.0
71.04963	2.0
74.32272	1.9
75.30618	1.7
78.54621	1.7
79.05499	22.2
81.03410	6.2
81.07055	17.7
83.04989	2.7
83.08620	6.8
84.08125	2.1
86.09669	1.7
88.09501	1.6
91.05486	13.8
93.07039	16.4
93.63549	1.9
95.04955	6.4
95.08602	11.1
97.02878	8.5
97.06540	3.4
97.10181	14.4
98.06032	1.9
98.21455	2.3
98.98460	33.9
105.07031	11.7
107.04949	11.5
107.08586	12.6
109.10146	8.9
111.08086	2.2
113.86451	1.8
117.07032	4.7
119.08544	8.7
121.06489	2.5
121.10133	6.6
123.08057	4.6
123.11680	2.4
124.11131	1.8
125.00000	2.0
125.09652	14.8
131.08585	5.8
133.06500	3.8
133.10139	5.3
135.08054	3.0
137.09607	2.4
143.08617	3.5
145.06473	2.4
145.10120	4.5
147.08046	4.8
147.11691	4.5
149.09573	3.2
153.09105	14.2
155.01021	5.8
157.10143	2.5
159.11670	4.3
161.13295	1.9
163.11192	3.5
171.10184	2.1
173.02106	2.5
175.11189	2.7
177.12790	2.4
184.07396	3.6
189.11194	5.0
189.12708	2.1
193.12323	2.9
196.13342	2.5
198.05305	3.2
205.12230	2.7
216.06291	3.8
223.13371	12.7
227.12788	9.5
249.15190	2.1
273.18478	21.4
291.19522	100.0
297.06628	1.8
307.09396	5.1
316.22464	3.1
334.23984	5.2
347.22272	9.1
365.23221	99.4
395.78778	1.9
427.13293	3.8
427.18802	57.3
428.18726	3.7
445.19830	29.6
488.23947	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	506.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18388	8.8
52.14175	9.1
55.01872	10.8
55.05518	14.5
56.05032	9.9
57.03436	49.3
62.06088	13.1
67.05503	50.1
69.07061	14.1
69.36037	8.1
69.45134	74.3
70.06590	35.8
72.08163	10.7
79.05488	47.0
81.03444	8.7
81.07051	42.9
84.08138	30.1
85.06553	17.6
86.09718	42.7
91.05458	60.8
93.07043	41.6
95.04969	22.2
95.08617	19.8
97.06561	12.7
98.21539	20.4
98.98468	44.9
104.10764	15.7
105.07038	41.2
107.04961	26.1
107.08602	19.2
109.06551	30.9
110.07156	11.5
113.06045	21.1
117.07040	32.8
119.08566	23.1
120.08162	11.9
121.10138	10.9
125.00024	11.7
129.07027	23.3
131.08582	38.5
132.40440	9.8
133.06506	16.1
133.10164	17.1
135.08005	11.9
143.08549	25.2
145.10139	38.8
147.08017	15.0
155.01097	16.4
159.11659	12.1
164.15982	10.1
170.54329	8.4
171.11751	25.2
173.13266	15.5
175.11200	18.0
183.11693	17.0
184.07341	51.6
199.14844	10.8
201.12802	28.2
217.15916	20.7
237.16417	12.2
255.17413	34.7
269.78650	9.8
273.18396	53.4
291.19522	21.5
304.13766	9.1
347.22220	100.0
365.23172	17.3
371.16302	9.4
381.00348	10.2
409.17673	17.4
427.18808	24.2
470.22971	15.1
488.23929	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	506.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66174	4.1
55.01844	3.3
55.05508	5.9
57.03440	36.5
67.05499	14.8
69.07059	6.0
69.86392	16.4
70.04066	7.9
70.06602	4.9
79.05486	11.1
81.07043	13.2
84.08151	5.1
85.06551	3.7
86.09702	7.5
91.05480	28.0
93.07055	9.6
95.04975	7.4
95.08624	4.2
98.20868	4.3
98.98509	3.7
105.07053	18.4
107.05025	5.0
107.08609	6.0
109.06518	10.8
117.07028	15.5
119.08586	11.5
121.10195	7.9
121.28700	4.4
129.07018	13.7
130.76894	3.6
131.08574	12.8
133.10109	7.3
135.08081	5.4
143.08517	5.2
145.10109	11.3
147.08025	9.4
147.11690	4.1
157.10179	12.6
161.09644	8.6
171.11754	7.4
175.11189	7.7
183.11676	5.5
184.07352	7.7
201.12772	7.1
217.15883	11.9
255.17526	6.5
273.18530	15.6
275.16434	4.7
276.70825	4.3
277.97583	3.5
291.19608	4.1
334.23825	5.7
347.22174	100.0
421.82715	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	506.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.7
55.05514	10.9
57.07075	55.8
58.07396	2.3
60.55807	2.1
67.05500	18.3
68.05840	3.0
69.07065	99.4
70.07836	5.0
71.08630	100.0
79.05484	9.5
81.02917	2.5
81.03412	46.9
81.07056	16.2
82.03746	2.7
82.07391	2.8
83.08611	14.7
85.10182	6.6
91.05483	11.0
92.05775	2.9
93.07014	4.6
95.04978	11.2
95.08598	13.2
95.09164	1.9
96.08936	3.0
97.06530	37.0
97.10136	4.5
98.06876	2.2
99.08096	4.6
105.07024	9.5
107.08587	4.1
109.10147	6.2
110.03513	5.2
111.08080	3.2
115.07577	14.9
119.08580	6.2
123.11703	3.2
124.08726	5.0
126.99480	8.1
129.01031	16.8
129.07034	4.5
133.06512	2.7
133.10193	3.3
138.10268	3.7
141.01010	16.9
149.09511	3.0
155.02533	6.0
166.09792	4.4
178.09724	2.3
193.12247	13.8
194.12706	6.5
197.07278	49.9
227.12733	2.2
235.91946	2.4
239.23677	2.7
249.14864	3.5
280.16510	10.3
334.09625	14.1
348.14871	4.0
362.16229	8.9
408.16846	97.8
410.16663	4.3
482.01974	2.2
505.38681	9.7
506.24020	9.4
506.39185	32.0
506.85675	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	506.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.01865	6.3
55.05265	1.7
55.05514	21.2
57.03442	6.0
62.06075	2.1
67.05506	26.4
68.62880	1.1
69.03446	6.8
69.07070	34.8
69.71867	6.4
71.04978	2.1
71.10770	1.0
76.44557	0.9
79.05498	23.5
81.03417	6.3
81.07059	22.2
83.05003	4.8
83.08607	7.1
86.09724	2.2
91.05482	15.4
93.07050	15.9
95.04977	7.7
95.08603	9.6
97.02890	7.8
97.06534	3.8
97.10175	12.8
98.98473	4.3
105.07034	10.7
107.04935	5.1
107.08608	11.8
109.02917	1.3
109.06493	2.1
109.10154	10.8
111.08057	2.9
115.05457	1.7
117.06983	4.9
119.08594	9.9
119.81549	1.0
121.06496	2.7
121.10138	3.0
123.08070	4.0
125.09632	9.7
128.06213	1.2
129.07001	2.4
131.08524	6.1
133.06468	1.3
133.10136	7.8
135.08069	3.4
135.11719	3.0
137.09659	1.2
137.28883	1.1
143.08543	2.3
145.06511	1.1
145.10088	5.3
147.08055	2.4
147.11684	2.3
149.09660	2.0
149.13275	2.9
151.11211	3.4
155.08488	1.0
157.10155	2.9
159.11621	2.2
161.09697	2.0
163.11116	1.4
165.09167	1.3
169.12123	1.3
175.11066	1.1
176.17628	1.1
189.11232	5.2
189.59491	1.0
193.12303	1.6
205.12233	2.1
216.06354	2.5
223.13295	17.9
224.72766	1.0
227.12793	3.8
253.14316	2.1
263.19952	1.3
267.15887	1.6
273.18555	9.7
291.19547	62.7
316.22565	1.7
334.23944	3.4
347.22156	5.2
365.23227	100.0
366.23715	1.1
427.18744	1.8
445.19885	2.2
488.24399	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80746	0.2
52.58596	0.2
53.03928	0.8
60.04514	0.4
69.03416	0.7
69.69100	0.2
69.88921	1.3
70.06590	2.4
70.64382	0.2
79.05484	0.9
81.03405	0.8
81.54745	0.2
84.04539	0.3
84.08138	0.5
85.02900	1.0
86.09702	0.3
87.00819	0.5
89.07140	0.4
90.05540	0.9
95.04956	1.3
97.02883	0.8
99.04476	0.3
105.01882	0.5
107.04947	100.0
108.05284	0.7
109.02872	0.6
110.07150	0.3
116.07078	0.3
120.08098	0.5
122.07156	0.2
123.04409	0.2
127.03922	0.9
133.06502	0.4
136.86589	0.2
145.04961	0.3
145.06458	0.2
149.00394	0.2
149.05946	0.5
159.07927	0.3
161.05986	0.8
169.06537	0.3
173.04352	0.3
174.29187	0.3
187.07602	0.6
207.39026	0.2
214.01529	0.2
214.72240	0.2
215.07039	0.4
384.20947	0.3
506.22952	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.7
55.01875	2.0
55.05507	17.8
57.03430	2.3
57.07071	49.6
65.03912	1.4
67.05498	51.7
69.03419	3.3
69.07057	17.2
71.04979	1.6
71.08624	36.0
75.49541	1.0
79.05482	20.2
81.03409	100.0
81.07045	40.6
81.07510	2.2
83.04982	5.0
83.08610	35.3
85.06523	2.1
85.10170	18.5
85.10647	1.6
91.05471	26.1
91.06007	1.8
93.07033	17.2
95.04960	27.3
95.08601	37.5
97.02891	2.2
97.06529	3.8
97.10175	10.1
98.20599	2.1
99.08086	3.1
105.07015	19.1
107.04935	7.6
107.08601	7.9
109.06526	2.2
109.10147	26.3
111.04455	2.3
111.08060	8.4
111.11720	2.0
115.05490	1.1
116.50375	1.2
117.07001	1.9
119.04964	2.1
119.08568	14.2
119.09324	1.1
121.06522	2.1
121.10137	8.8
123.08076	2.6
123.11693	6.3
129.06998	10.8
131.08557	7.4
133.06487	2.7
133.10103	6.7
135.11702	4.7
137.09639	2.9
137.13281	2.4
142.07811	3.1
145.10172	1.8
147.08078	3.0
147.11693	6.8
149.09665	4.0
149.13274	2.1
151.11232	2.6
151.14885	1.9
155.14526	1.3
157.10097	9.6
161.13324	2.0
165.12790	1.6
165.16309	1.2
167.71724	1.0
173.11777	1.5
175.11160	9.8
179.14307	11.7
193.12216	55.9
200.63168	1.0
209.69107	1.1
212.93437	1.3
239.23630	9.6
249.14929	7.4
277.21588	9.6
335.03134	1.1
505.39047	92.5
506.39743	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.5
55.01881	1.7
55.05510	15.7
56.19437	1.2
56.96575	1.7
57.03439	1.7
57.07072	43.8
61.02909	1.6
67.05164	2.5
67.05502	35.2
69.03425	2.1
69.07062	16.4
69.94674	3.2
69.95087	4.9
71.04973	2.1
71.08628	30.9
79.05488	18.2
80.71721	1.1
81.03412	82.8
81.07051	32.4
83.04992	3.0
83.08616	29.3
85.02918	1.5
85.10173	15.5
88.23143	1.5
91.05476	21.2
93.07030	12.2
95.04962	22.2
95.08596	31.4
97.02924	2.3
97.06490	1.8
97.10159	10.6
103.51064	1.3
105.07018	15.7
107.04971	6.1
107.08621	6.7
109.06530	2.6
109.10152	18.0
111.04452	1.7
111.08086	8.7
115.05503	2.0
117.06977	2.3
119.08578	14.5
121.06494	2.7
121.10123	9.2
123.11722	4.8
128.06140	1.8
129.06999	11.5
131.08569	8.2
133.06519	3.3
133.10124	6.3
137.09641	2.7
137.13297	3.1
138.10265	6.0
147.08014	3.5
147.11610	7.3
149.09595	5.5
149.13269	2.1
157.10114	8.0
165.12827	2.6
173.11740	1.6
175.11194	10.3
181.90677	1.3
193.12242	38.8
227.12837	2.0
229.14287	1.6
231.13835	1.6
239.23724	9.5
249.14798	8.7
259.20569	3.5
284.62799	1.6
287.11310	1.4
333.24023	1.9
343.37189	1.4
345.62375	1.4
362.00720	1.4
505.38910	100.0
506.38953	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52822	1.3
52.04629	1.3
53.03920	1.8
55.05505	16.7
56.66314	1.3
57.03430	9.3
57.07065	12.8
59.04980	5.5
65.03928	3.6
67.05495	100.0
69.07054	13.0
69.92733	1.2
70.32776	5.8
71.04967	3.4
71.08617	6.8
79.05046	2.2
79.05485	29.1
81.03414	11.6
81.07050	37.6
83.04971	1.6
83.08604	10.5
85.06521	4.1
85.10159	2.9
89.06001	4.4
91.04887	2.0
91.05466	36.8
93.07035	32.1
95.04990	7.9
95.08598	21.9
97.06533	2.4
97.10134	5.0
98.21394	1.9
98.98405	1.3
99.08086	2.1
100.95367	1.4
105.07021	39.5
107.04953	2.6
107.08574	19.2
108.32477	1.2
109.06499	2.7
109.10147	65.4
111.08047	3.6
111.11669	2.0
115.07613	1.5
117.06998	9.1
119.08569	41.0
121.10130	13.2
123.11675	2.1
125.09637	3.4
129.05438	1.6
129.06956	4.5
131.08551	11.8
133.08594	1.8
133.10124	26.2
134.43919	1.3
135.08015	1.9
135.11691	11.9
137.09572	3.3
143.08559	5.7
145.10107	14.5
147.11673	26.4
149.09636	1.8
149.13245	8.1
155.10638	3.6
157.10162	6.9
159.11694	9.5
160.87933	1.7
161.13225	17.6
163.14771	1.7
171.11658	6.0
173.11714	21.9
173.13248	8.0
174.63177	1.4
175.14809	7.7
177.05499	2.3
185.13223	5.7
187.14760	2.7
189.11139	2.9
189.16353	1.7
193.12219	6.2
197.07228	1.4
199.14771	4.3
207.22336	1.5
213.16341	1.5
227.12740	6.0
229.14319	44.7
231.21075	6.2
241.19514	21.6
243.21187	1.6
259.20563	50.8
259.23352	2.6
261.22037	2.9
277.21692	1.7
315.23160	3.3
333.24213	24.5
395.29230	1.7
413.30484	2.2
443.25354	1.4
487.34061	11.7
505.18002	1.4
505.38376	9.5
506.35318	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81640	0.8
53.03938	1.3
55.01860	1.8
55.05260	1.1
55.05506	15.0
57.03435	7.7
57.07063	4.1
59.05000	4.1
65.03925	3.0
67.05499	100.0
69.03419	1.4
69.07061	9.4
70.50365	3.0
71.04975	3.6
71.08644	1.0
71.56589	0.9
72.08147	1.1
79.05486	23.9
81.03462	1.0
81.07055	29.4
83.04942	1.5
83.08613	8.4
85.02874	0.9
85.06532	3.1
91.05470	32.0
93.07034	27.4
95.04947	4.4
95.08600	18.7
97.06512	1.8
97.10155	3.6
98.19203	0.8
98.98431	1.2
99.08076	2.5
105.07020	33.0
107.04958	1.1
107.08585	18.3
109.06526	1.5
109.10146	71.2
110.10509	1.4
111.08065	3.1
115.05441	0.8
117.06999	8.5
117.84863	0.8
119.08575	32.6
121.10150	10.1
123.08076	1.4
123.11700	1.0
125.09616	2.8
129.00969	1.0
129.06975	4.7
131.08551	10.3
133.06462	0.9
133.10120	23.2
135.08022	1.1
135.11676	10.6
137.09610	2.6
141.06984	0.9
142.15094	0.8
143.08559	3.9
145.10115	10.1
147.08112	1.2
147.11668	25.5
149.09569	1.3
149.13269	7.7
155.10622	4.3
157.10144	5.7
159.11681	10.9
161.13254	17.5
163.11147	1.5
163.14792	2.3
169.10088	0.9
171.11658	8.3
173.11717	25.0
173.13228	5.9
175.14835	9.1
179.14290	1.7
183.11694	1.0
185.13260	5.5
187.14755	2.9
189.11185	2.2
189.12767	0.9
191.14392	1.0
197.13284	1.1
199.14798	3.1
201.16472	0.8
213.16411	1.3
217.19556	1.2
227.12769	7.1
229.14333	46.6
231.21068	3.3
241.19479	22.0
259.20541	45.9
259.23325	1.5
260.20987	1.0
261.22070	3.2
277.21536	2.0
289.21332	1.3
315.23120	4.4
333.20334	1.7
333.24194	24.2
395.29718	1.2
404.30554	0.9
413.30545	2.1
464.40359	0.8
464.47061	1.0
487.34131	8.5
505.25400	1.6
505.34897	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	505.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.0
55.01862	10.4
55.05507	37.6
57.03416	7.0
65.03925	5.3
67.05501	100.0
69.07069	26.5
69.07384	5.3
70.38168	16.1
71.04961	4.8
79.05125	4.1
79.05490	50.6
81.03440	8.3
81.07057	74.0
83.04962	10.7
83.08620	19.6
85.02915	5.0
85.06515	7.9
91.05483	66.1
93.07039	59.9
95.04995	18.6
95.08601	49.7
96.48631	3.6
97.06522	10.6
97.10144	6.0
105.06379	5.2
105.07027	57.8
107.04942	14.6
107.08596	44.3
109.06485	11.3
109.10155	34.2
111.08080	7.2
111.22648	4.6
117.07018	30.0
119.08573	56.2
121.06523	3.9
121.10118	25.0
123.08070	12.4
123.11662	9.0
125.09629	6.7
128.06197	3.6
129.06993	14.8
131.08569	30.6
133.10138	47.6
135.08029	8.5
135.11674	16.1
137.09608	6.6
139.11176	5.5
141.07001	5.1
143.08594	19.1
145.06514	4.7
145.10141	26.2
147.11673	25.4
147.59946	4.1
149.09608	8.1
149.13217	10.2
153.09077	4.5
155.08505	13.0
157.10101	15.0
159.11678	23.2
161.13237	5.9
163.11134	6.1
165.12759	8.9
167.08519	4.5
169.10106	10.7
171.11671	10.5
173.09612	4.3
173.11784	6.2
173.13260	11.7
175.11314	5.6
177.12769	5.9
181.10036	6.3
183.11646	8.8
185.13205	6.4
187.14691	4.6
195.11674	5.1
195.13878	5.4
199.14828	5.6
209.13353	8.3
229.14186	6.6
235.16953	9.5
251.98193	4.0
257.18994	8.0
259.20581	7.5
275.20081	69.0
277.21591	11.2
293.21182	9.1
333.24390	4.1
389.26794	3.8
402.60022	3.9
415.29550	4.5
433.30826	13.6
445.41599	5.1
451.31979	16.5
459.34818	6.6
469.33322	31.6
487.33951	19.0
505.34695	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	505.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.01870	1.9
55.05510	13.4
56.07010	0.8
57.03431	7.6
57.07068	2.9
59.04992	3.0
60.71039	0.9
65.03950	2.5
67.05499	100.0
68.05846	1.0
69.03432	0.9
69.07059	8.5
71.04980	3.7
71.11780	0.8
71.44788	1.4
77.36482	0.8
79.05486	24.0
81.06570	1.7
81.07050	29.5
83.04995	1.3
83.08611	8.1
85.06527	3.8
91.05471	34.2
92.01383	0.8
93.07037	28.9
95.04964	2.7
95.08601	17.1
97.06522	2.0
97.10163	2.5
99.08096	1.5
103.05484	1.2
105.07021	34.6
107.08593	16.6
109.06517	1.8
109.10149	64.0
111.08080	4.4
117.07005	8.7
119.08568	33.4
121.10135	12.9
123.11700	1.3
125.09629	2.7
128.06197	1.7
129.06976	6.3
130.07726	1.1
131.08572	10.0
133.10117	24.7
133.11072	1.7
135.11694	10.8
137.09593	3.1
143.08559	3.9
145.10115	12.7
147.11673	27.5
148.11964	0.8
149.09698	0.8
149.13243	8.5
155.10674	3.7
156.09370	1.0
157.10100	5.5
159.11665	10.8
161.13248	19.4
163.11194	1.0
163.14790	1.3
171.10335	1.3
171.11668	7.9
173.11745	21.0
173.13260	5.7
175.11234	1.5
175.14789	8.8
177.12766	1.2
185.13245	6.2
185.14613	0.8
187.14871	2.3
189.11139	2.1
189.12706	1.0
199.14809	3.4
202.16103	0.8
213.16461	1.4
227.12700	5.1
229.14345	42.1
231.21042	5.5
241.19504	20.5
242.19850	1.1
243.21136	1.2
259.20557	51.7
260.20932	1.5
261.22302	1.4
275.20145	0.8
277.21704	1.4
289.21640	1.0
315.23123	3.8
333.24210	27.1
334.24991	1.2
413.30508	2.4
487.34039	9.6
505.35437	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	505.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82893	4.2
53.03946	4.2
55.01860	8.4
55.05501	32.2
57.03426	8.3
61.02909	4.6
65.03931	4.4
67.05498	100.0
69.03425	6.6
69.07064	39.0
71.04982	8.0
71.08563	4.6
71.59949	6.8
79.05490	55.7
81.03435	6.0
81.07043	68.2
83.04982	8.5
83.08611	18.5
85.02908	10.2
91.03941	5.8
91.05475	62.8
92.09798	4.2
93.07044	67.7
95.04955	18.4
95.08604	56.6
97.02898	5.8
97.06496	17.5
97.10155	9.9
99.08049	5.8
99.60783	4.2
103.94439	4.6
105.07010	55.8
107.04945	29.1
107.08595	49.2
108.08907	5.4
109.06493	11.3
109.10143	49.9
111.08049	8.3
117.07000	25.0
117.59073	3.8
119.08566	55.7
121.06519	5.5
121.10129	35.3
123.08024	10.5
123.11668	10.1
125.09608	9.2
128.06261	6.5
129.06981	11.8
131.08569	33.2
133.06439	4.5
133.10107	38.8
135.08060	6.1
135.11693	12.5
137.09613	7.3
139.11160	5.5
141.06943	7.3
143.08557	14.7
145.06516	4.4
145.10115	33.2
147.11688	34.4
149.09656	5.9
149.13263	11.2
151.11180	5.4
153.09015	4.8
155.08557	7.6
157.10124	15.0
159.11656	17.7
161.13255	14.1
163.11215	10.4
165.12750	9.4
169.10110	9.0
171.11667	11.3
173.11841	7.2
173.13266	10.2
175.14784	4.2
177.12747	5.1
185.13252	12.7
187.14726	5.7
189.11226	4.3
193.12221	5.6
195.11717	6.6
197.13164	10.8
203.12683	6.1
215.17915	4.4
216.24432	4.2
229.14363	18.4
231.17296	4.3
235.16898	7.4
241.19548	11.9
257.19144	8.0
259.20505	20.4
275.19980	56.8
277.21667	12.2
286.28156	4.4
293.21063	12.3
301.21713	4.6
333.24124	12.0
353.90182	4.2
433.30750	8.7
451.31931	15.3
469.32956	38.6
487.34229	27.7
505.35126	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	505.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	3.7
55.05507	18.3
57.03440	5.3
57.07082	17.8
65.86485	3.7
67.05179	4.6
67.05505	70.6
69.03424	8.9
69.07050	13.5
70.02938	6.3
70.95073	11.3
71.08619	11.2
78.93751	3.4
79.05499	30.1
81.03420	32.5
81.07054	52.6
83.04974	3.8
83.08647	17.5
85.06537	4.3
85.10200	4.2
88.77541	4.5
91.05468	27.0
93.07045	38.9
95.04963	14.5
95.08600	38.1
96.00804	4.1
97.02892	44.4
97.06546	3.6
97.10155	8.3
105.07022	24.2
107.08570	24.7
109.06537	3.9
109.10143	28.1
113.02731	5.8
113.03490	100.0
117.07006	13.7
119.08588	22.8
121.10142	10.7
123.11693	7.8
125.09621	6.1
129.07022	10.3
130.69496	3.4
131.08553	15.4
133.10155	18.9
135.11678	12.3
139.71066	4.0
143.08521	7.8
145.10109	12.3
147.07999	4.6
147.11674	14.3
149.13184	8.5
157.10141	8.0
159.11691	13.3
161.13203	7.9
163.14836	4.0
171.11653	5.2
173.11765	6.5
173.13220	10.0
175.14919	4.7
185.13268	4.2
187.14888	5.3
193.12276	10.4
202.99950	4.3
207.13782	5.7
241.19449	7.3
259.20557	15.5
261.22147	17.4
277.21741	9.1
303.23218	5.1
315.22632	3.7
333.24008	4.6
339.23062	4.5
357.24188	17.2
364.11081	4.2
375.25336	11.9
393.26361	11.4
505.38699	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	505.3521
Annotation	Protobassic acid
Peak:m/z	Relative Intensity
53.03930	6.7
55.01868	29.2
55.05508	43.3
65.03933	4.9
67.05504	71.6
69.03427	5.9
69.07063	42.0
70.04073	49.0
71.04992	7.3
71.29485	8.1
79.05494	59.6
81.03445	4.8
81.07053	100.0
83.04974	13.0
83.08620	23.8
85.02906	12.0
85.06527	8.4
90.15961	3.2
91.04964	4.6
91.05481	59.2
93.07041	62.8
95.04955	21.4
95.08601	55.1
97.02844	4.6
97.06531	35.5
97.10163	14.9
99.04434	3.7
105.07033	63.8
107.04945	15.2
107.08577	41.2
109.06511	13.6
109.10143	26.1
111.04454	5.9
111.08082	7.9
117.07020	31.2
119.08570	63.1
121.06488	11.7
121.10140	27.8
123.08094	7.2
123.11687	7.4
125.09609	13.1
128.06229	5.1
129.06998	18.5
131.08565	43.9
133.06464	5.3
133.10114	33.3
135.08060	7.2
135.11653	13.4
137.09619	10.6
141.06990	11.3
142.07794	5.4
143.08543	28.4
145.06485	9.4
145.10114	32.9
147.08017	8.5
147.11702	20.1
149.09633	14.5
149.13274	8.7
155.08586	18.5
157.10161	30.1
159.08061	5.0
159.11681	20.3
161.09625	9.0
161.13260	9.7
163.11165	5.3
165.12714	5.2
167.08516	5.4
169.10133	10.1
169.30869	4.0
171.08124	4.2
171.11665	16.4
173.13278	13.6
175.11145	5.2
175.14659	5.0
177.12764	10.9
179.56860	3.0
181.10097	9.0
183.11722	15.4
185.13287	13.5
189.11203	5.6
189.12717	4.8
195.11778	4.3
195.13792	5.5
197.13211	6.6
199.14801	7.5
201.12628	5.7
203.14337	4.0
209.13313	5.3
213.16554	5.0
221.13229	4.5
223.14767	4.3
233.15453	4.0
247.16817	5.3
257.19089	5.7
261.18414	3.6
275.20062	34.7
277.21649	5.0
293.21069	6.0
301.21616	6.3
313.21533	6.0
329.24841	6.4
339.23154	8.3
340.13666	3.5
341.24814	5.0
343.26080	4.1
347.25549	3.7
353.24799	3.8
357.24231	13.3
371.25522	4.5
375.25208	17.0
389.26688	4.3
393.26569	4.6
415.30472	5.2
423.32474	5.6
433.30939	14.9
441.33368	5.0
451.32016	33.7
459.34644	9.3
469.27286	6.1
469.33142	56.3
487.34219	54.1
505.35303	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	505.2656
Annotation	Platanionoside E
Peak:m/z	Relative Intensity
55.05514	1.5
56.05042	0.6
60.04513	0.5
67.05504	1.3
69.07070	3.5
70.06592	100.0
71.06919	0.7
71.58144	0.7
72.08138	2.8
79.05497	0.8
81.03445	0.7
81.07070	1.9
83.08617	0.8
84.04515	1.7
84.08148	3.5
86.09704	34.0
91.05481	1.9
93.07070	1.4
95.05002	0.8
95.08627	0.6
104.10760	1.1
105.07060	0.9
107.04961	2.3
107.08607	1.1
108.05296	0.6
109.10203	0.6
110.07188	1.6
112.03954	0.9
116.07067	0.6
119.08606	0.7
120.08119	2.7
128.10765	0.6
129.07120	0.8
129.10255	2.2
130.05072	0.7
130.06508	0.7
145.06483	0.7
166.08673	1.0
184.07411	1.8
225.12505	1.8
233.69327	0.5
263.13907	49.5
273.18536	0.8
310.06738	0.6
376.22473	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01868	1.7
55.05516	8.4
56.96547	2.6
57.03432	15.8
57.07065	3.7
57.60103	1.5
61.02892	1.6
67.05503	24.2
69.03436	2.4
69.07071	10.1
69.94538	5.1
73.02901	2.2
79.05489	20.4
81.03413	4.1
81.07052	24.7
83.04948	2.1
83.08633	3.1
85.02898	4.2
85.06520	1.7
87.66067	1.3
89.06010	1.4
90.61435	1.5
91.05475	22.7
93.07037	29.0
95.04963	4.4
95.08595	21.8
97.02901	2.2
97.06527	2.8
97.10156	1.8
98.39084	1.4
98.98466	27.9
105.07021	25.5
107.04951	9.3
107.08596	19.7
109.06533	2.0
109.10153	9.5
116.98580	1.8
117.06994	7.9
119.08569	26.1
121.06509	1.8
121.10140	12.7
123.11685	2.5
125.05962	1.7
129.05475	5.3
129.06984	6.4
131.08571	14.5
133.10129	18.9
135.11700	13.0
143.08548	3.7
145.10129	12.2
146.05991	2.1
147.11676	13.3
149.13246	5.9
155.01077	4.6
155.07033	2.6
157.10135	5.2
159.11699	12.1
161.13252	13.1
163.11237	2.5
163.14803	4.5
171.11678	6.7
173.02081	8.3
173.13269	6.0
175.11223	1.5
175.14815	11.4
185.13231	8.0
187.14951	2.4
189.16335	2.0
197.07245	1.7
199.14915	2.7
213.16389	2.2
215.17949	4.6
217.19479	5.2
241.19489	32.3
243.21106	3.8
247.05727	4.5
259.20593	15.9
315.23019	3.3
333.24216	100.0
409.26096	1.9
505.27197	6.4
506.25632	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91749	1.5
53.03938	3.9
55.01864	2.8
55.05504	12.7
56.96561	1.8
57.03442	8.7
57.07059	2.3
57.24709	1.4
58.41858	1.3
61.02915	1.8
65.83754	1.3
67.05170	2.5
67.05500	32.1
69.03399	2.1
69.07070	10.7
70.06565	1.5
70.54678	5.5
71.04990	2.1
73.02920	3.6
75.04472	2.5
79.05058	2.8
79.05490	32.4
81.03400	4.5
81.07052	35.3
83.04987	3.2
83.08619	8.0
85.02890	2.6
85.06516	2.0
90.03477	1.3
91.05476	43.1
93.07039	37.1
95.04958	8.5
95.08595	24.3
97.02872	1.8
97.06533	3.9
97.10188	3.3
98.98460	69.0
99.00789	1.7
105.04475	1.7
105.07024	44.7
107.04946	12.5
107.08585	23.1
107.09309	2.5
109.02876	2.3
109.06502	2.1
109.10138	11.9
111.08074	3.4
115.05480	2.1
116.99487	2.5
117.07025	12.9
119.07787	2.3
119.08576	32.4
121.06509	2.7
121.10141	12.9
123.08072	3.5
123.11662	1.6
129.05446	5.2
129.07002	7.3
131.08563	23.9
131.18317	2.0
133.10132	29.5
135.08018	2.6
135.11667	14.0
137.09651	2.8
143.08560	8.7
145.10112	17.2
147.08026	2.5
147.11688	20.4
149.13228	7.3
151.11122	2.5
155.01033	12.3
155.06992	1.6
157.10127	7.8
159.11696	14.9
161.09605	3.8
161.13260	20.4
163.11142	4.0
163.14777	4.6
171.11665	13.6
173.02080	12.2
173.11900	2.0
173.13287	12.4
175.14807	13.1
185.13240	7.5
187.14827	4.5
189.09070	2.1
189.12743	2.2
191.14264	2.0
197.13184	1.6
199.14761	5.3
207.13763	3.9
215.17937	5.6
217.19492	5.5
223.14737	2.3
225.11111	1.7
227.12740	2.3
229.04745	2.9
231.21126	4.0
239.17943	1.8
241.19489	41.5
243.21112	3.6
247.05896	8.6
247.07980	1.7
259.20584	25.9
275.20020	2.8
279.15854	3.5
315.23190	9.9
333.24207	100.0
413.20630	3.0
487.24292	3.4
505.27228	7.2
506.25107	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	505.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16620	5.4
51.68813	6.1
53.97056	5.2
60.04548	5.8
69.46413	48.1
70.06580	10.3
107.04956	20.2
118.06542	18.7
124.05980	7.2
136.03903	5.8
136.06189	12.3
144.08049	9.9
146.05998	70.0
159.09161	9.9
188.07065	100.0
188.08748	6.8
205.09657	28.7
356.11719	7.0
394.08990	6.5
431.66345	7.1
458.72699	6.3
530.42236	7.1
532.23499	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	504.3085
Annotation	LysoPE(0:0/20:3(5Z,8Z,11Z))
Peak:m/z	Relative Intensity
52.09564	2.1
53.03909	2.5
55.05498	10.0
57.03442	3.2
62.06090	43.8
67.05504	36.5
69.07069	14.4
69.69069	5.4
69.69481	11.0
79.05486	20.7
81.07058	33.0
81.87733	2.2
83.08611	6.4
91.05470	11.1
93.07041	23.7
93.78218	2.2
95.04944	3.7
95.08605	26.9
97.10153	3.0
98.21481	5.0
98.98467	14.0
104.18369	2.1
104.35542	2.0
105.07014	10.4
107.08582	11.6
109.10166	11.3
112.05114	3.5
119.08553	6.2
121.10124	10.9
121.79476	2.4
124.01533	2.7
133.10123	6.4
135.11711	4.7
142.02727	2.1
155.00978	4.9
159.11710	2.7
161.13287	4.0
173.02048	4.1
198.05345	3.7
216.06247	3.7
276.43939	2.2
289.25192	9.1
301.05740	2.3
332.29636	11.2
345.27939	4.9
363.28946	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.8
56.05040	1.2
58.06587	1.2
60.08162	19.9
67.05511	3.8
69.07082	1.0
69.96593	3.1
71.07375	8.2
79.05499	2.8
81.07049	3.2
86.09704	54.5
90.49984	0.6
91.05484	1.0
93.07037	3.0
95.04975	0.6
95.08616	1.7
98.98466	5.1
101.92059	0.6
104.10741	97.5
105.11064	0.7
107.08595	1.5
109.10143	0.9
119.08556	1.0
121.10130	1.0
124.99089	1.3
125.00003	31.3
184.07338	100.0
209.19543	0.6
258.11044	1.5
321.24368	1.4
332.26685	1.0
416.92926	0.6
427.22537	0.8
486.29855	7.0
487.29916	0.6
504.30774	16.2
505.31000	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.5
57.03425	0.5
58.06606	0.5
60.07876	0.5
60.08165	6.8
67.05490	1.6
69.07071	0.7
69.48759	2.8
70.67477	0.4
71.07372	3.4
71.18795	0.5
79.05480	1.1
81.07043	1.4
86.09709	33.8
87.88656	0.4
90.50572	0.3
91.05463	0.8
93.07020	0.7
95.08643	0.8
98.98471	3.8
102.12300	0.4
104.10754	3.4
105.07010	0.5
107.08556	0.4
114.42325	0.3
119.08591	0.4
125.00005	23.0
135.08058	0.4
143.01003	0.7
167.05614	0.4
184.07344	100.0
187.91313	0.4
190.75822	0.4
287.66229	0.4
310.78320	0.4
389.26614	0.4
486.29636	1.2
504.30878	1.2
505.33890	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04588	1.1
51.95669	1.3
55.05516	12.0
56.84605	1.2
57.03439	10.3
62.06099	1.7
63.02962	1.2
65.03915	1.6
67.05508	40.0
67.05871	2.0
69.07065	10.2
70.06568	2.2
71.04991	1.5
71.59313	2.2
72.08159	80.2
79.05497	20.0
81.07059	33.4
83.08613	2.5
84.17540	1.3
91.05470	9.1
93.07050	22.5
95.04962	2.7
95.08056	2.3
95.08612	28.6
97.06560	1.6
98.98473	3.3
105.07034	6.9
107.08620	7.5
109.06483	1.6
109.10178	6.9
117.06996	2.6
119.08591	5.8
121.10142	5.2
123.11663	2.7
131.08510	2.0
133.10124	3.2
135.11670	4.1
136.26965	1.3
147.11708	2.0
149.13210	1.4
159.11700	1.9
161.13155	1.4
170.05777	51.9
332.26511	1.6
335.25787	100.0
336.26108	5.3
349.32742	1.5
408.32773	1.5
469.14502	3.7
470.14795	2.8
471.14722	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.4
53.20762	3.2
55.05509	12.3
57.03426	4.7
61.02914	3.7
67.05499	33.6
68.05832	7.1
69.03435	5.2
69.07058	13.6
70.06602	5.8
71.04984	4.1
71.59939	5.1
79.05504	16.1
81.03397	5.3
81.07060	34.6
82.07387	4.3
83.08599	5.1
85.02898	7.3
85.07249	3.5
90.48939	3.4
91.05494	14.0
93.07039	16.1
95.04972	5.9
95.08598	12.1
95.64078	3.2
97.02883	6.2
97.06539	6.3
105.01875	3.5
105.07018	14.9
107.04956	17.4
107.08588	10.4
109.06534	3.7
109.09550	3.6
109.10125	18.0
118.06541	8.7
119.08555	10.0
120.08121	5.2
121.10073	3.3
132.08040	6.0
133.10088	7.1
135.11694	4.5
145.10136	6.4
146.09624	3.5
164.31969	3.6
171.11787	4.3
173.11781	3.9
275.19846	3.9
276.20306	9.2
337.13025	3.7
340.26398	4.0
368.25815	14.2
386.26868	13.6
404.28134	5.3
459.45193	3.7
468.30984	10.2
486.32263	39.4
494.73813	3.8
504.16440	4.3
504.33350	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.9
55.01879	1.5
55.05507	12.6
56.96555	2.6
57.03434	3.3
57.07072	4.0
61.02917	3.3
65.03941	2.2
67.05165	2.3
67.05503	30.2
68.05869	1.4
69.03423	5.8
69.07069	42.9
70.06583	3.8
71.04982	4.2
71.59927	2.4
73.02917	1.8
79.05482	14.7
81.03416	5.5
81.07055	54.4
83.04987	2.4
83.08606	3.8
85.02910	10.2
87.00821	2.5
87.04455	2.0
89.83028	1.1
91.03940	1.7
91.05475	19.9
93.07044	29.2
95.04961	5.8
95.08605	64.0
97.02869	5.5
97.06533	6.0
97.10162	5.4
99.08073	1.6
105.01889	7.6
105.07030	59.1
107.04969	7.1
107.08590	30.7
109.02888	2.0
109.06495	3.3
109.09455	2.1
109.10154	31.7
111.08074	2.2
113.09672	6.5
117.07017	3.9
119.08579	39.4
119.57690	1.2
120.08937	2.3
121.06515	2.2
121.10155	21.1
123.08068	4.1
123.11707	19.8
125.09640	2.1
127.03913	5.5
129.06996	1.5
131.08566	4.1
133.10129	31.1
134.10405	1.8
135.11693	8.4
139.11166	7.1
145.04950	3.0
145.10129	4.5
146.10503	1.7
147.11682	56.4
148.12044	2.2
149.09598	1.5
149.13310	2.6
151.11218	3.6
153.12756	4.2
159.11674	2.1
161.13266	24.3
163.14818	11.6
165.12772	2.6
173.13229	1.9
175.14838	7.9
193.97606	1.5
203.17952	100.0
204.18243	1.6
217.74324	1.4
219.41953	1.6
221.15543	1.9
221.19012	26.5
225.10574	1.5
231.05096	2.6
268.06958	1.7
269.10297	1.5
286.08096	3.7
342.10629	2.1
400.28143	1.6
448.30603	2.2
486.33185	1.9
504.17340	2.1
504.33453	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	504.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	15.8
53.65202	6.5
55.01873	12.8
55.05503	27.6
56.96568	7.0
57.07052	6.5
61.02929	12.9
63.81068	5.5
67.05495	62.9
69.03424	28.4
69.07066	35.2
69.80283	33.5
71.04991	9.9
73.02934	10.9
79.05491	34.4
81.03423	32.1
81.07053	80.4
82.07374	7.3
83.08615	10.5
85.02897	69.5
86.09689	10.6
87.00817	22.4
89.42936	6.4
90.00349	6.4
91.05477	60.3
93.07035	95.2
95.04948	10.8
95.08598	77.7
97.02899	31.0
97.06535	6.5
99.04448	14.5
105.01878	19.9
105.07024	83.1
107.04939	35.2
107.08578	65.9
109.02900	16.6
109.06514	10.6
109.10146	100.0
109.10835	10.2
117.07048	6.9
119.08569	61.4
121.06534	12.7
121.10162	36.1
123.11699	23.9
127.03876	40.7
131.08588	9.5
133.10103	40.8
135.11661	39.4
145.04977	17.5
145.10132	9.0
147.11676	74.0
149.13248	18.4
159.02979	10.3
161.13274	30.2
203.17949	77.4
205.19666	9.7
221.19006	14.3
226.06546	7.1
504.21130	13.2
504.34152	33.2
505.14859	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	504.28
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33814	13.4
54.33823	15.0
55.01876	20.5
55.05505	35.1
61.02910	16.4
66.10124	15.9
67.05490	67.1
69.03432	25.5
69.07050	34.0
71.35716	34.9
73.02924	26.1
79.05484	45.3
81.03395	22.2
81.07053	76.3
83.08615	16.9
85.02907	53.1
90.59406	16.1
91.05473	43.6
93.07050	63.7
95.04957	18.5
95.08610	62.6
97.02895	44.3
99.04465	20.9
105.07010	100.0
107.08559	36.8
109.02900	23.8
109.10181	78.7
119.08566	48.0
121.10120	49.3
123.11725	28.6
125.09606	17.3
127.03942	46.5
133.10135	56.3
135.11665	38.4
145.04991	28.7
147.11700	52.0
159.03004	22.4
161.13249	19.8
175.15002	15.2
203.17924	95.3
221.19261	17.0
273.98679	16.0
409.49512	17.3
429.19687	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	504.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.5
55.01862	6.8
55.05500	13.8
56.96556	9.5
57.03424	8.5
61.02907	12.2
67.05495	26.7
69.03418	12.6
69.07049	15.2
70.04068	5.0
70.06583	14.6
71.04980	5.0
72.93765	4.9
73.02913	5.6
77.95235	5.1
79.05489	20.0
81.03400	16.9
81.07050	29.6
83.08605	8.5
84.08110	4.2
85.02901	24.4
87.00790	5.0
87.04458	13.9
89.06019	5.9
91.03958	11.4
91.05451	23.4
93.07056	29.7
95.04924	7.3
95.08603	23.8
97.02883	17.8
97.06524	5.3
100.05073	6.5
105.07014	17.6
107.04952	100.0
107.08577	19.4
108.05278	23.6
109.02881	7.3
109.10155	20.0
110.21481	4.6
111.08179	4.7
119.08591	19.1
121.10122	13.3
123.08033	6.5
123.11680	5.9
127.03885	8.6
130.06528	11.4
131.06834	4.2
131.08537	9.5
131.96072	4.8
133.10095	9.1
135.11662	9.0
137.05980	6.2
146.05984	6.1
147.11684	11.8
159.09221	12.7
159.11815	5.9
160.09508	8.2
161.13252	4.7
182.99667	3.9
184.07399	5.7
188.07059	7.1
189.07347	5.4
203.17934	18.0
228.08437	7.7
243.08923	6.1
245.09167	16.3
246.09508	15.6
273.08759	7.7
291.09674	26.7
292.09995	31.7
299.06131	5.6
356.19385	4.8
367.17905	6.8
382.23605	4.6
383.09198	4.6
398.14093	8.5
504.21417	9.9
504.29126	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	8.7
55.05503	19.5
56.96546	14.4
57.03429	19.3
61.02909	23.6
63.83628	7.0
67.05502	50.4
69.03426	27.4
69.07060	38.7
70.84917	20.1
73.02897	20.2
79.05468	34.8
81.03411	28.2
81.07054	100.0
83.08614	19.3
85.02892	55.5
87.00790	12.4
87.04462	8.8
91.03943	20.0
91.05467	33.5
91.63801	6.5
93.07035	81.1
95.04943	23.0
95.08601	77.7
97.02880	36.2
97.06523	10.4
97.10163	11.7
99.04422	10.0
105.01830	26.5
105.07026	85.4
107.04966	43.5
107.08595	67.0
109.02885	11.1
109.10172	61.8
117.06993	11.9
119.08579	58.2
121.06500	10.9
121.10135	37.4
123.11760	14.4
125.09624	16.3
127.03893	35.0
133.10106	33.2
135.11670	24.3
145.04980	21.4
145.10080	14.8
147.11688	50.6
161.13205	19.9
163.14862	11.4
165.12819	10.3
175.14914	10.4
203.18037	43.2
215.41866	7.6
229.07486	12.0
247.08612	10.8
249.05980	15.6
267.09021	27.4
269.10559	8.1
284.09933	10.4
285.10248	43.2
293.12991	9.2
317.12759	11.7
323.85773	7.9
349.16965	12.5
367.18005	44.0
374.15887	13.6
385.18860	10.3
504.33539	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	504.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.05508	5.6
57.03454	0.9
61.02914	2.5
62.06085	0.9
65.03931	0.7
67.05489	4.3
69.03430	4.4
69.07066	6.0
70.04075	5.2
70.06590	4.6
71.04995	1.5
71.08626	5.9
71.59927	0.8
72.08158	3.7
72.08497	0.7
73.02895	1.6
76.02257	1.0
78.80648	0.7
79.05482	3.3
79.82790	0.7
81.03415	2.5
81.07051	8.8
83.04974	2.6
83.08612	1.7
84.08129	2.5
85.02896	7.0
86.06053	6.0
86.09720	2.0
87.04477	1.2
91.03941	1.0
91.05478	3.1
91.38238	0.7
91.75551	0.7
93.07048	5.1
95.04945	2.8
95.08601	5.9
96.08125	2.0
96.65373	0.8
97.02847	4.6
97.06527	1.5
98.06025	1.0
98.09687	4.4
99.04356	0.9
99.08089	3.5
100.11237	1.4
101.05996	4.1
102.67349	0.9
103.05457	0.7
105.07030	6.7
107.04934	6.1
107.08579	5.3
108.08145	1.9
109.02916	1.3
109.06513	1.4
109.10160	3.3
111.03776	0.7
111.04431	4.0
116.10714	18.1
119.08569	5.5
119.54948	0.7
120.08044	1.5
121.06490	1.6
121.10131	3.4
122.02726	2.6
122.09702	1.2
123.11697	3.1
127.03887	2.3
129.05455	2.5
133.10143	3.3
135.11641	3.8
136.07607	1.0
137.05977	1.2
142.08633	1.8
143.10661	2.4
145.10120	2.0
147.06464	3.6
147.11650	5.7
154.15909	3.2
159.11775	1.1
161.12091	0.8
161.13304	1.5
163.03856	1.2
165.09116	0.8
166.15872	2.0
173.08148	1.3
177.84833	0.8
178.15948	1.4
182.15416	1.6
196.16969	6.2
203.04134	0.8
203.17972	7.5
208.13390	1.3
214.17993	100.0
215.18384	1.3
226.14380	6.3
230.29251	0.8
244.15433	17.4
307.10550	0.8
324.21786	1.3
342.22778	9.5
350.18100	0.9
354.56775	0.8
376.23203	12.4
406.20599	4.0
460.23175	1.4
486.26956	1.5
504.17392	1.6
504.24988	18.5
504.36325	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	504.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.0
57.07071	100.0
62.13010	0.5
67.05511	2.3
69.07063	51.1
70.07487	0.8
70.07843	3.2
70.42947	1.8
71.08630	0.9
72.08160	2.0
79.05502	0.7
79.41206	0.5
81.03426	0.6
81.07055	1.5
83.08650	0.7
89.06008	3.5
91.05454	1.0
93.07051	0.9
95.04976	0.6
95.08611	0.9
98.99999	2.9
100.07639	0.6
102.09192	2.4
105.07043	1.6
107.04996	1.0
108.05288	0.5
111.04424	0.7
113.01579	1.2
115.07558	16.9
115.61109	0.6
119.83181	0.6
121.06503	0.9
126.99468	5.4
129.01025	7.1
129.01886	0.6
132.10197	0.6
133.08606	0.9
141.01012	11.0
141.02058	0.6
155.02573	4.6
192.65154	0.6
197.07271	33.5
216.96744	0.5
225.06674	3.6
274.16754	1.0
292.17636	3.7
319.09543	7.1
376.23459	2.9
388.91022	0.5
420.17886	9.6
486.22516	1.3
504.23743	13.4
504.37384	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	7.1
57.03439	33.9
62.06085	18.4
67.05514	18.2
69.03431	3.3
69.07061	6.1
69.31458	21.0
69.31864	9.2
70.06543	4.8
71.04990	3.7
79.05492	15.5
81.07048	19.0
83.04988	4.0
83.08619	3.7
84.54454	3.1
86.09724	3.2
91.05449	21.2
93.07034	17.3
95.04948	4.3
95.08606	17.8
98.98462	21.9
103.05455	4.2
105.07042	18.1
107.04926	6.8
107.08594	8.4
109.06518	5.7
109.10136	7.1
117.07001	8.8
119.08571	16.3
121.06500	5.4
121.10145	8.0
129.07076	6.7
131.08575	15.6
133.06444	7.0
133.10133	6.4
135.08064	5.5
141.07043	3.7
143.08534	6.6
145.06525	4.1
145.10136	9.0
147.08044	4.5
149.09616	6.6
149.13228	3.1
151.11308	3.4
155.01033	5.9
157.10040	4.0
159.08076	8.7
159.11722	7.4
161.09575	6.4
163.07500	4.5
169.10135	3.9
171.11671	8.1
173.09656	6.2
173.13417	4.1
175.20181	3.2
185.13246	3.2
187.14795	5.5
189.12805	3.4
190.96281	3.6
197.13332	7.2
205.15892	10.1
215.14320	13.3
233.15277	15.5
243.17499	9.6
253.15840	13.2
261.18564	11.9
271.16965	25.7
289.17981	50.0
307.19012	3.9
325.56299	2.9
332.22223	6.9
333.24234	3.5
345.20621	7.4
357.21771	4.7
357.86884	2.9
363.21658	100.0
363.26208	4.9
425.17331	6.3
443.18323	24.1
468.21603	6.1
471.18268	8.1
486.22415	18.0
487.87411	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	504.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40518	0.5
55.01875	0.8
55.05505	0.8
57.07063	2.5
67.05505	3.0
67.90088	0.6
69.07066	18.8
70.07413	0.7
71.60207	0.6
79.05498	4.0
79.16196	0.5
81.03401	1.3
81.07053	0.7
89.06007	0.8
91.05476	0.8
93.79993	0.5
95.04963	0.7
97.06525	100.0
105.07037	0.9
115.07552	1.1
119.08616	0.7
121.10194	0.5
129.01025	1.2
141.00989	1.5
197.07304	4.0
280.16586	1.0
309.39996	0.5
393.83215	0.7
408.16806	10.7
425.59537	0.6
504.23074	1.0
504.37302	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.8
55.01861	1.7
55.05516	5.0
57.03439	41.9
62.06087	1.2
64.11866	1.0
67.05499	12.2
69.07066	2.4
71.04968	1.2
71.59046	2.0
73.29725	1.0
79.05496	10.7
81.07058	12.4
81.91812	1.0
83.04976	1.8
83.08614	1.7
84.14007	1.3
85.06547	1.8
91.05484	15.7
93.07059	12.2
95.04988	3.9
95.08601	8.4
97.10158	1.2
98.98487	2.5
105.07037	11.0
107.04958	4.7
107.08592	7.1
109.06518	4.0
109.10129	1.8
113.06036	1.5
116.06305	1.1
117.07032	7.7
119.08585	9.2
121.06474	1.9
121.10166	3.0
123.08089	1.7
129.06985	4.8
131.08582	9.9
133.06499	2.8
133.10098	6.2
135.08052	3.2
135.11728	1.9
137.05965	1.5
141.06874	1.2
143.08615	2.4
145.06502	3.3
145.10133	6.0
147.08049	1.4
147.11699	2.3
149.09636	2.0
151.11171	1.4
155.08530	2.6
156.09491	1.2
157.10117	2.4
159.08043	3.8
159.11682	3.1
161.09595	2.2
163.07574	1.9
169.10127	2.2
171.11655	5.1
173.09619	4.1
173.13283	1.3
177.09087	1.1
183.11771	1.1
184.07309	1.3
187.14836	4.9
189.12720	2.4
196.35507	1.1
197.13245	2.6
205.15918	6.9
215.14296	5.7
225.16438	2.2
233.15375	13.3
235.14680	1.3
243.17453	4.4
253.15959	2.4
261.18625	5.5
271.17007	7.4
273.46243	1.2
289.17929	15.9
307.19086	2.5
332.22122	1.8
333.24521	1.5
335.22189	1.5
363.21658	100.0
364.22101	3.1
486.22516	2.9
520.08362	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	0.9
53.03943	1.0
55.05500	3.5
57.07072	40.9
58.89992	0.7
59.87863	0.7
64.55190	0.8
65.03928	0.9
67.05503	4.9
69.07063	100.0
70.06597	1.5
70.07434	1.2
70.07847	6.3
71.08625	2.2
71.11912	2.1
72.08147	1.4
73.06547	1.3
79.05491	1.6
81.07056	2.6
83.08627	1.0
85.10157	0.8
86.09722	0.7
87.04470	0.8
89.06029	4.9
91.05488	2.7
93.07047	1.4
94.04196	0.9
95.04964	1.9
95.08595	1.4
99.00024	5.5
103.03104	1.0
105.07031	1.5
107.04976	1.5
107.08592	1.2
109.10162	1.0
110.03545	1.0
111.04435	1.1
113.01568	2.2
115.07561	11.2
119.08551	1.6
121.06460	1.4
121.10146	0.8
126.99451	9.5
129.01025	17.3
129.01924	1.2
133.08629	1.6
138.55804	0.7
139.00591	0.8
141.01021	20.3
141.02086	1.4
145.82991	0.8
155.02591	8.3
160.08720	1.7
161.09596	1.2
162.10281	0.9
167.00659	0.7
168.02065	0.9
176.08282	0.8
178.09770	2.4
186.96902	1.2
190.09863	1.5
194.09224	1.0
197.07277	44.2
204.97733	1.0
206.09317	2.3
208.07199	3.2
208.10902	1.9
222.08829	1.1
225.06805	2.7
232.10878	0.7
236.10307	0.8
262.15503	11.3
268.09363	1.1
280.16492	0.8
292.16434	3.4
318.18280	2.1
320.16040	11.5
320.49130	0.7
325.16403	1.2
347.71008	0.8
356.14725	0.8
376.22311	10.3
377.22977	2.0
420.16837	8.8
448.16272	5.9
486.21741	1.7
504.22610	68.0
505.22949	2.3
524.98254	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
55.01868	1.0
55.05496	0.5
57.06815	0.5
57.07074	5.3
60.35300	0.3
65.69132	0.2
67.05496	2.3
69.07065	19.3
69.25393	2.5
69.25801	0.5
70.07846	0.4
71.08663	0.2
79.05488	3.4
81.03403	1.0
83.08598	0.6
89.06036	0.4
91.05465	0.6
93.07030	0.3
95.04990	0.6
97.06527	100.0
98.06850	0.9
105.07036	0.9
107.27082	0.2
110.03558	0.3
110.66294	0.3
113.09087	0.2
115.07535	1.5
118.20789	0.3
126.99483	0.7
128.01134	0.3
129.01019	1.4
138.10263	0.3
141.00999	1.7
145.10155	0.3
155.02599	0.8
178.09647	0.2
197.07277	4.1
197.23232	0.3
280.16629	0.6
334.09497	0.4
348.14520	0.3
362.16364	0.4
376.23505	0.5
408.16846	11.1
411.36362	0.3
504.22885	1.1
504.37363	0.8
517.10516	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.1
57.03427	2.3
59.04981	0.4
61.02912	0.6
68.05030	0.4
69.03420	1.7
70.06587	6.8
71.01340	0.7
71.06921	0.8
71.11667	0.8
71.12010	0.5
72.08143	1.7
73.02911	1.8
78.03446	0.9
80.05022	4.5
81.03407	0.5
84.04491	0.5
84.08128	1.8
85.02901	2.5
86.09692	2.4
87.04455	0.7
89.06015	0.4
95.06095	2.0
96.04472	1.3
96.06458	0.4
97.02886	1.3
101.07172	0.4
106.02911	6.3
107.04957	2.6
110.07144	0.5
113.07130	2.2
114.07462	0.4
114.09156	2.2
115.03934	1.2
115.09491	0.6
119.04981	0.5
120.08128	0.9
123.05547	100.0
124.03947	1.0
124.05893	0.4
127.25216	0.4
129.10245	0.7
133.04985	1.6
136.06180	27.3
137.06003	0.5
143.11804	0.5
146.05992	0.7
147.04393	0.5
148.06227	0.6
149.05975	0.4
164.07086	0.5
166.08665	0.4
171.11301	0.5
174.05573	0.8
176.07034	0.4
176.10780	0.6
176.12888	0.6
178.07281	0.8
192.06575	0.5
192.84961	0.4
194.08192	1.9
202.04968	1.8
212.09187	0.6
219.07663	1.5
220.06055	4.0
220.15454	0.6
232.08366	1.6
237.08693	0.9
255.09688	2.9
256.04865	0.5
284.85269	0.5
295.09448	0.4
311.12491	0.5
326.12357	1.5
337.10352	0.7
339.01617	0.4
341.20657	1.8
342.21103	4.3
352.10199	0.9
355.11505	6.0
372.14130	5.0
414.15033	0.4
434.95248	0.4
444.16208	0.4
455.40228	0.5
487.15771	2.1
503.32260	1.9
504.26263	1.6
504.32816	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11400	0.3
56.59149	0.3
59.04984	0.5
69.03409	0.4
70.06580	1.7
71.04966	0.5
71.06903	0.3
71.59812	0.4
72.08129	0.4
73.02921	0.7
73.06551	1.6
75.52675	0.4
84.04488	0.4
84.08125	0.3
85.02911	0.4
86.09678	0.4
87.04461	9.9
89.06023	100.0
90.06348	0.5
91.05475	1.3
91.07612	0.4
105.07062	0.3
107.04929	1.2
107.07050	3.5
117.09125	1.1
118.21864	0.3
130.08620	0.6
131.07036	2.7
133.08589	48.6
134.08881	0.5
135.10147	0.4
151.09764	0.3
175.09647	1.1
177.11205	12.1
221.13808	1.2
239.14854	0.3
267.07028	0.4
275.37610	0.3
283.71463	0.3
285.07544	0.6
287.41095	0.4
307.65265	0.3
353.21921	0.3
377.01569	0.3
459.28442	0.3
460.88278	0.4
503.20868	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	503.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40121	0.9
53.03936	1.7
55.01862	5.6
55.05265	1.2
55.05508	18.8
57.03419	3.4
57.07060	3.0
59.04988	4.4
63.30938	0.9
65.03927	3.9
67.05502	100.0
69.03405	1.2
69.07070	14.1
70.86650	2.8
71.04994	5.3
71.07423	0.9
75.32407	0.9
76.19792	0.9
79.05489	27.2
79.14589	1.0
81.03422	1.7
81.05170	0.9
81.07056	35.8
83.04964	3.4
83.08613	11.0
85.02902	1.1
85.06539	2.5
85.89021	0.9
89.06043	1.2
91.05474	31.6
93.07041	22.3
95.04975	6.7
95.08601	21.0
97.06545	7.4
97.10188	4.9
103.05453	1.1
105.07025	33.6
107.04932	6.0
107.08591	22.6
109.06503	3.9
109.10151	58.9
111.08076	3.4
113.67422	1.1
113.68742	1.0
115.05409	1.2
117.07015	11.5
119.08575	26.3
121.06518	2.8
121.10142	6.6
123.08068	2.8
123.11707	2.2
125.09612	3.7
128.06181	1.3
129.06990	4.9
130.07779	1.4
131.08566	18.2
133.06462	1.5
133.10126	16.6
135.08058	4.0
135.11685	4.4
137.09637	3.0
141.07005	2.2
143.08588	6.3
145.10120	26.6
147.11681	10.8
149.09602	6.2
149.13226	1.7
155.08562	2.6
155.10654	2.0
157.10146	5.3
159.11684	10.0
161.09642	1.5
161.13245	4.2
162.01874	1.2
163.11127	5.1
169.10117	5.1
171.11691	5.2
173.11740	13.9
173.13263	3.9
175.11191	2.7
177.12762	2.8
179.14261	4.4
183.11688	3.8
185.13214	2.5
187.11258	1.2
187.14842	1.2
189.11278	2.8
197.13242	2.1
225.16606	0.9
227.12776	1.6
227.76567	1.1
229.14287	8.4
229.19545	2.7
239.17961	4.3
247.20587	1.9
257.18976	17.6
259.20657	3.9
268.53333	0.9
275.20041	36.6
293.21140	3.4
331.22620	3.7
332.95471	0.9
393.27914	2.1
411.29227	3.0
429.30112	2.0
485.32712	8.7
503.33676	53.1
504.33945	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
55.01875	3.1
55.05518	8.5
57.03432	3.6
57.07073	2.2
65.03927	1.7
67.05509	18.5
69.07072	11.8
71.05000	4.0
71.08630	5.9
71.58793	1.5
72.08166	1.9
75.04485	2.4
79.05500	12.1
81.07062	25.2
83.04970	2.3
83.08621	6.2
85.06544	2.5
85.42094	1.4
88.03983	2.5
88.07635	5.8
91.05461	9.5
93.07049	16.7
95.04954	1.7
95.08611	16.6
97.06521	7.3
97.10151	1.4
98.98470	82.5
99.08095	4.0
105.07022	11.2
107.08604	15.0
109.06519	15.7
109.10165	10.6
111.08099	4.1
116.99520	1.9
117.07021	2.5
119.08611	13.6
120.08130	2.3
121.06497	1.8
121.10139	5.7
123.08073	32.4
123.11746	3.4
131.08582	6.1
133.10107	7.7
135.08055	20.4
135.11691	2.7
137.09660	2.2
137.13260	2.0
143.08597	1.6
145.10156	6.3
147.11667	5.5
149.09645	4.0
149.13297	3.4
157.10109	1.7
159.11705	6.6
161.09630	5.1
161.13217	2.4
165.12788	3.5
167.05605	1.8
167.14369	1.7
173.02094	12.6
173.13228	1.6
175.14859	7.5
177.12697	7.4
179.14308	46.9
179.15820	2.5
191.14366	3.6
205.15848	8.4
233.18974	2.4
247.20615	2.6
257.19174	1.6
260.05469	1.7
263.20251	4.8
270.89020	1.5
275.20187	6.5
289.21585	5.3
293.21100	2.8
299.06232	3.1
303.27042	7.6
308.24030	1.8
331.26321	100.0
349.27454	16.2
358.16418	2.2
361.27206	1.8
369.27896	1.5
375.29187	2.1
376.51831	1.4
387.28891	6.3
405.30023	49.4
423.30902	3.1
468.41873	1.7
485.26904	4.3
503.27707	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.3
55.01868	10.4
55.05509	15.3
56.96560	8.8
57.03437	23.9
67.05508	25.9
69.03423	5.4
69.07061	11.8
69.52396	6.9
69.52804	19.6
70.06576	13.2
72.08158	5.4
73.02939	3.4
79.05493	36.5
81.03422	7.8
81.07056	37.7
83.04971	3.1
83.08614	7.0
83.10791	2.7
84.04497	3.7
84.08145	7.0
85.02920	3.2
85.06580	3.7
86.09692	7.0
91.05455	43.4
93.07054	30.9
95.04974	9.5
95.08613	21.9
98.21436	6.4
98.98467	56.7
103.03968	3.3
105.07021	45.6
107.04948	28.1
107.08601	22.8
109.06539	5.3
109.10139	12.9
117.07024	36.6
119.08583	40.2
121.06487	3.3
121.10124	14.7
125.00066	3.4
125.09641	4.4
128.06268	4.4
129.05479	21.8
129.06981	19.9
130.06575	3.7
130.07779	4.9
131.08571	53.8
133.06493	4.5
133.10136	28.6
135.08049	6.1
135.11696	8.3
141.07030	5.6
142.07768	5.1
143.08560	18.2
145.06535	5.4
145.10129	40.6
147.08037	4.2
147.11667	15.2
149.09671	3.2
149.13286	4.8
154.94135	4.9
155.01082	9.6
155.07056	7.4
155.08542	9.8
156.09387	3.2
157.10097	18.3
159.08073	4.1
159.09367	2.9
159.11713	36.4
161.09512	3.4
161.13292	9.9
163.11258	3.0
167.05612	7.0
169.08746	4.7
169.10149	10.3
171.08041	3.7
171.11655	15.1
172.95239	16.4
173.02124	7.1
173.13274	32.2
175.14870	4.2
177.12727	3.8
181.10239	2.6
183.10187	5.4
183.11757	10.3
185.09589	3.3
185.13324	13.0
187.11211	4.8
187.14844	3.9
189.16425	5.1
190.96310	12.4
197.13269	7.8
199.14958	3.6
201.12698	4.3
211.14825	4.5
213.16299	14.3
215.17976	28.0
219.17459	6.3
227.07977	2.9
228.97932	7.6
229.19534	7.6
239.17934	54.5
240.18365	2.7
241.19539	4.2
245.09280	4.4
246.99191	3.3
247.05940	6.8
257.18985	58.8
269.10580	3.4
275.20050	18.6
287.20056	6.7
291.09714	9.6
299.06302	4.5
300.68356	2.8
313.21539	12.0
331.15836	9.7
331.22647	100.0
349.16968	13.7
349.23776	9.6
367.18155	6.3
369.19690	5.3
387.20676	3.0
467.14908	15.0
467.27972	3.5
485.16187	25.4
493.97574	3.4
503.16852	5.2
503.30408	4.6
504.92258	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.2
53.74079	3.8
54.65551	3.9
55.01883	4.2
55.05514	16.6
56.05016	5.1
56.96563	10.9
57.03432	20.1
62.92718	4.2
65.21384	3.5
67.05503	24.3
69.07078	10.5
70.06596	16.1
70.84029	6.8
70.84361	6.1
71.04994	4.0
72.08163	9.3
73.02908	5.4
79.05489	34.6
81.03394	4.1
81.07058	27.9
83.08597	4.9
84.08157	8.8
86.09723	17.2
87.14378	3.7
91.05460	44.7
93.07048	31.0
95.04951	8.7
95.08627	17.8
97.02943	5.0
97.06552	4.3
97.10165	3.5
98.98463	45.1
99.83174	4.2
103.03943	6.5
103.05512	6.2
104.10745	7.0
105.07036	39.0
105.77489	3.5
107.04957	26.5
107.08639	20.4
109.06520	4.2
109.10194	5.6
110.07234	3.6
117.07014	28.1
119.08567	37.9
120.08142	10.6
121.10152	12.3
125.00020	4.1
126.26927	4.0
127.73814	3.6
129.05505	22.0
129.07033	16.1
130.07788	4.6
131.08591	39.5
133.06532	5.4
133.10100	19.3
135.11758	5.9
140.98518	4.2
141.06981	11.7
143.08592	14.4
144.09447	3.6
145.06508	7.6
145.10144	40.8
147.11685	18.6
149.09595	8.0
154.94212	13.5
155.01105	13.3
155.07074	6.1
155.08609	8.2
157.06511	4.8
157.08992	4.4
157.10178	15.8
159.08099	4.6
159.11685	32.9
161.13272	7.7
167.05542	9.3
169.10210	11.7
171.11728	16.6
172.95261	38.3
173.09578	4.7
173.13255	28.4
174.32652	3.6
182.15501	4.1
183.11711	8.4
184.07323	9.0
185.13275	8.0
187.11217	4.0
190.96297	37.9
197.13341	5.9
213.04237	3.7
213.16411	10.3
215.17982	25.3
228.97940	22.5
229.19534	8.2
239.17944	41.0
247.05804	5.6
257.19040	52.0
267.00119	3.9
275.20190	15.8
277.11118	4.8
287.20181	5.5
299.06097	9.1
313.14923	4.6
313.21729	11.2
329.22046	4.4
331.16043	17.3
331.22644	100.0
331.26581	4.9
349.16852	18.9
349.23721	13.9
405.22278	4.9
449.14029	7.7
461.15393	4.8
467.15128	49.6
485.16150	22.9
485.22961	6.7
503.18481	10.1
503.24728	100.0
508.17551	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45492	1.1
55.01870	1.4
64.76920	1.1
67.91382	1.5
69.03416	2.6
69.42941	11.3
70.06586	13.1
71.06891	1.4
72.08137	3.7
79.05494	2.3
81.03405	2.4
84.04510	2.7
84.08146	3.9
85.02898	5.2
86.09697	14.3
87.05589	8.0
88.07592	1.8
89.06007	1.6
91.05457	1.3
95.04951	1.9
95.06065	6.7
98.97546	1.4
102.05473	1.4
105.08776	1.3
107.04949	100.0
108.05264	4.0
113.07127	6.5
116.07043	1.4
123.04457	1.4
127.03877	2.0
129.10281	1.3
133.06549	1.3
137.05989	10.5
149.06007	1.6
151.08682	1.2
161.05981	3.0
175.07578	2.0
176.04543	1.2
187.07533	2.1
191.08426	1.6
243.13345	2.5
251.10808	1.8
259.07465	2.0
261.14536	2.4
263.44119	1.3
279.10147	2.2
307.12268	1.7
311.12756	4.1
323.12845	2.0
323.19763	1.4
341.13861	2.6
341.20685	18.1
392.62634	1.3
485.19403	2.0
503.20639	22.1
503.26984	1.3
503.32440	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	503.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82850	1.7
55.01879	2.5
55.05515	3.1
56.05028	3.7
56.96564	3.9
57.03424	3.1
67.05493	3.3
67.54476	1.9
69.03419	4.4
70.06590	25.5
70.26842	3.7
70.27231	4.6
70.51494	1.8
72.08147	10.6
74.06076	3.3
79.05479	3.4
81.03448	2.2
82.06580	2.2
83.06086	2.7
84.04501	46.0
84.08142	7.6
85.02892	11.6
86.09701	25.2
87.04466	2.8
87.10043	3.9
89.06026	14.2
91.05473	3.5
91.73689	2.1
93.07024	3.5
93.13933	2.0
94.06582	4.7
95.04958	3.3
96.08130	8.2
97.01043	2.0
97.02874	4.5
97.06577	3.0
98.97591	2.5
99.04481	1.9
101.07138	16.2
101.30366	2.1
102.05560	5.7
103.05443	3.4
106.06581	3.7
107.04949	30.8
108.05280	3.4
108.08091	10.1
110.07151	3.9
110.09692	8.3
114.09180	2.9
116.04966	5.7
120.04485	5.2
120.06504	2.2
120.08104	10.6
121.02836	6.5
121.06480	2.2
122.03181	2.2
122.05965	10.3
123.04407	3.8
124.07597	23.7
129.06590	4.6
129.10208	4.9
130.04999	35.7
133.08582	5.1
134.06038	4.6
136.07584	17.1
137.05963	4.8
138.09142	10.4
143.11794	3.5
144.04427	14.8
144.12102	2.6
146.06010	8.7
147.04474	4.3
147.05531	17.8
147.07631	26.5
148.03926	7.5
148.07578	5.2
149.07152	3.6
152.07053	4.3
154.08604	3.3
154.16022	2.1
158.02621	2.2
160.36134	1.8
161.05965	2.6
161.07156	3.9
162.05533	11.2
166.04964	3.4
166.08646	21.7
171.11301	2.1
172.03918	81.1
173.07185	3.4
174.05536	3.8
176.07022	3.0
176.14381	2.4
177.11235	2.2
177.14630	4.0
187.08685	2.5
189.06613	18.3
190.04970	67.2
191.08165	7.7
201.05499	2.7
201.08710	3.0
202.09259	1.8
204.06555	85.1
213.06708	2.4
214.09915	2.4
215.08179	4.8
223.03909	2.1
227.08072	2.4
229.09740	4.0
240.31689	2.4
255.11403	3.4
279.11319	4.4
297.12421	6.0
300.09872	3.6
300.13269	2.5
301.08197	5.4
301.11597	3.6
307.10635	2.9
318.10864	8.8
325.11789	35.8
329.14951	2.7
342.14514	13.9
343.12723	16.8
357.14645	11.8
453.17471	8.9
454.16107	14.2
471.18759	100.0
486.18323	2.2
503.20172	32.1
503.32068	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	503.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.01868	1.5
55.05511	1.4
56.05024	2.7
56.96552	1.6
57.03428	2.4
60.04537	1.5
61.02923	1.9
67.05518	1.9
69.03425	5.6
69.07070	1.5
69.26642	14.7
69.59423	1.2
70.06585	27.5
71.06917	2.3
72.08149	5.8
74.06086	1.9
78.21657	1.2
78.84828	1.2
79.05493	3.4
81.03417	4.1
81.07054	2.6
83.60998	1.1
84.04500	3.3
84.07703	1.4
84.08130	8.3
85.02913	10.7
86.06039	1.5
86.09703	11.4
87.04464	5.3
89.06022	47.4
89.06554	2.6
91.05455	13.8
92.05804	1.3
93.07019	1.5
94.04169	3.8
95.04973	2.4
97.02896	5.8
98.03551	1.4
98.21527	2.5
98.97617	1.8
103.05447	10.7
104.81294	1.4
105.07021	7.5
107.04945	14.8
107.07073	2.1
109.02881	2.3
109.06528	1.9
109.10204	1.4
110.07145	3.6
115.05445	2.4
116.07104	2.7
117.07021	1.2
119.04963	1.7
119.08604	2.2
120.08105	4.1
121.06528	1.4
121.43066	1.2
122.03607	7.1
123.11695	1.3
127.03953	3.8
127.05119	1.3
128.06190	1.7
129.07014	1.7
129.10243	3.6
131.04922	18.8
132.05750	2.6
133.06490	5.5
133.08600	26.8
136.07574	2.9
137.05966	100.0
138.06403	1.4
145.06517	1.4
147.04414	2.6
147.07970	1.7
149.06018	1.8
150.77228	1.2
158.05597	1.7
159.08020	2.4
161.05951	15.7
163.07524	15.0
175.07535	26.0
176.19112	1.5
177.00706	1.5
177.11215	7.3
179.06999	1.6
186.08780	1.5
187.07550	12.5
190.07848	3.2
191.07097	1.3
191.08455	6.9
199.07565	7.6
202.07880	3.1
203.08575	4.9
217.08562	1.5
218.07375	2.1
219.07997	10.0
220.08813	1.9
231.07910	6.1
232.08783	1.5
247.07605	5.8
248.08517	4.2
251.10686	11.3
259.07645	5.0
260.08249	1.6
263.10715	2.2
273.12079	2.2
275.12271	1.6
276.07651	1.5
279.10175	11.1
280.10944	1.8
281.11340	1.4
291.10147	9.8
291.13141	1.6
292.11053	3.0
293.08160	1.8
296.10364	1.6
309.11264	1.4
311.12750	22.8
323.12653	11.8
324.61859	2.7
325.12259	2.0
443.24341	1.3
485.19537	11.6
485.25507	3.2
503.20569	61.5
503.33105	3.0
504.20587	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	503.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66176	0.7
69.03424	2.1
69.34556	3.7
69.34986	4.9
70.06586	2.1
71.05005	0.9
73.46413	0.8
79.05480	1.9
81.03390	1.0
81.07030	1.6
85.02910	4.7
86.09698	1.5
88.47871	0.9
89.06006	1.2
91.05485	4.0
94.04194	2.4
95.04977	1.6
95.11127	0.8
97.02886	2.0
98.21564	1.5
103.05486	1.5
105.07046	5.7
107.04923	5.7
108.05260	1.2
109.06513	1.9
115.05424	4.4
117.07032	1.7
119.04929	1.2
119.08604	1.2
122.03635	8.4
128.06241	2.0
129.07062	1.8
131.04898	1.6
132.05719	1.1
133.06491	3.2
133.08601	1.6
136.07539	1.4
137.05969	100.0
138.06366	1.6
145.05046	0.9
145.06458	1.1
147.04524	1.1
147.08038	2.8
149.05949	1.5
156.05719	1.1
159.08049	2.1
161.05980	13.5
172.05251	1.3
175.07539	27.8
187.07558	9.9
190.07799	2.2
191.08545	6.2
199.07574	9.1
200.25681	0.9
202.07805	3.1
203.08575	4.5
218.07263	2.1
219.08015	10.0
220.08795	2.5
220.10985	0.9
223.11707	0.9
231.08003	4.7
236.08247	1.3
247.07481	4.1
248.08342	3.0
248.87135	1.0
249.09509	1.1
251.10637	11.7
259.07416	4.8
260.08398	2.5
263.10690	3.7
264.07770	0.9
265.08719	1.3
267.10931	1.4
272.12805	2.3
273.13226	3.2
274.13403	2.5
276.07855	1.7
277.08566	2.4
279.10199	10.0
280.10913	1.0
285.11945	1.4
291.10098	11.1
292.10764	2.7
293.08078	1.4
311.12775	22.2
323.12732	15.2
341.14032	1.1
362.52249	1.0
442.26239	0.9
454.67780	1.0
503.20813	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.4
53.03933	0.9
56.89757	0.3
61.02907	0.4
67.05475	0.6
70.06595	2.2
70.91937	0.5
70.92281	0.8
72.08126	0.4
77.03915	0.8
79.05492	1.6
79.65246	0.4
81.03455	0.5
81.07039	0.5
82.06577	0.4
85.02895	0.5
85.81300	0.3
86.09695	0.4
87.00812	0.5
88.03974	0.8
91.05476	0.7
91.47205	0.4
93.07055	0.6
95.04962	2.7
95.08574	0.4
96.85269	0.4
104.28620	0.4
105.04480	0.4
107.04945	100.0
108.05293	1.1
115.05427	0.4
118.06522	2.2
119.08537	0.5
121.06480	0.4
129.06981	0.4
130.06512	26.6
131.20551	0.4
132.08078	5.6
142.06516	1.7
144.08075	1.2
146.05988	4.4
156.08102	1.8
157.07587	0.7
158.06027	0.9
158.08383	0.9
159.09166	26.2
160.07581	1.8
169.07582	0.9
170.05983	7.3
171.09219	0.5
174.04013	0.9
181.07585	0.7
182.05986	0.6
183.09215	1.7
184.07565	7.6
185.07095	11.0
187.08713	2.0
188.07051	14.3
188.08772	0.7
199.08652	0.7
200.07103	2.6
201.10201	6.0
205.09711	0.9
209.07169	0.8
224.10378	0.4
227.08133	19.3
229.09615	2.2
231.07652	1.1
236.10677	9.8
245.09195	33.2
246.09418	0.9
247.10928	2.0
248.10512	0.8
253.76952	0.4
255.07660	1.7
259.10687	1.1
273.08667	15.3
291.09714	71.5
292.10007	1.9
293.09955	0.5
294.11234	0.9
303.09753	0.7
351.13321	1.5
379.12668	1.3
397.13882	11.4
447.34909	0.4
503.23599	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.7
53.96980	0.4
55.01856	0.5
67.05487	1.2
70.06589	0.7
70.49623	1.0
70.49991	1.0
77.03898	0.6
79.05470	2.0
81.03410	0.5
81.07043	0.8
85.02881	0.7
86.28167	0.4
88.04012	0.5
88.66293	0.4
91.05463	0.9
93.07037	0.5
95.04945	1.8
98.20866	0.7
105.07045	0.7
107.04944	100.0
108.05312	0.7
109.10124	0.7
111.04351	0.4
115.05428	0.7
118.06543	1.8
129.80850	0.5
130.06509	24.5
132.08089	6.2
142.06534	1.0
143.07263	0.6
144.08069	1.3
146.06000	4.8
154.06537	0.5
156.02950	0.6
156.08087	1.3
157.07568	1.0
158.08401	0.8
159.09158	23.0
160.07584	2.1
170.06007	7.8
171.09181	0.6
174.04025	0.6
181.07616	0.6
183.09146	1.2
184.07555	5.8
185.07083	10.6
187.08633	1.9
188.07040	13.0
199.08589	1.0
199.19943	0.6
200.07011	2.7
201.10191	5.0
205.09743	0.6
224.10422	0.6
227.08130	16.5
229.09668	1.2
231.07648	1.4
236.10666	8.9
245.09193	32.6
247.10780	2.1
248.10988	0.6
255.07588	1.1
259.10654	1.3
273.08685	14.8
291.09717	62.1
292.10086	0.8
294.11429	0.5
303.09930	1.2
342.14709	0.6
351.13422	1.2
379.12811	0.9
397.13916	10.3
448.33081	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.1
55.05508	1.9
55.12040	1.2
57.07070	27.3
58.26976	1.1
66.04268	1.0
67.05499	1.2
69.07066	11.6
69.40244	5.7
69.40676	4.7
70.07796	1.5
71.08224	2.4
71.08623	46.3
73.06520	1.2
79.08234	1.0
85.10174	25.0
87.04474	7.2
89.06023	100.0
91.05473	15.6
93.07040	13.2
95.04949	5.0
99.75595	1.1
103.05470	4.0
105.07018	4.6
107.04958	4.3
107.07038	3.6
107.08608	2.7
109.10154	1.3
115.07582	1.7
117.07011	1.8
119.04920	3.0
119.08580	5.6
121.06489	60.8
121.10098	1.3
127.14804	2.2
130.08672	1.4
131.08578	1.6
133.08585	60.5
135.08061	8.1
135.11664	1.1
140.61055	1.0
145.10085	1.9
146.47914	1.0
147.08022	10.8
149.09630	6.1
149.13208	1.1
150.06783	2.5
163.11139	3.4
165.09099	28.6
167.10622	1.7
177.11218	19.1
177.12672	2.1
191.10663	1.7
197.07318	2.5
199.06918	1.9
209.11671	13.7
217.56247	1.0
221.13821	1.3
235.13121	2.6
245.19130	1.2
247.20592	15.5
253.14345	1.8
271.15344	4.6
273.22058	1.7
291.23169	32.6
315.17938	3.1
335.25534	5.3
359.20605	50.0
432.58310	1.2
446.08505	8.2
485.34738	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.5
56.05030	0.6
58.06587	0.9
68.05010	1.6
70.06583	41.3
70.71558	1.2
71.06925	0.7
72.08145	4.6
73.02902	0.5
73.71796	0.4
76.41155	0.5
84.04500	0.9
84.08135	5.4
85.02889	0.4
86.06068	1.1
86.09700	3.0
87.04456	0.4
88.07629	3.2
89.06010	6.0
95.06097	0.9
96.08153	1.0
98.40562	0.4
107.04921	2.3
110.07234	0.5
113.07151	0.7
114.09153	28.0
122.02748	0.5
132.10179	3.4
143.31476	0.4
144.53468	0.4
157.09662	0.4
158.11792	0.9
176.12820	8.1
193.40358	0.4
202.14471	0.5
203.28067	0.4
220.15424	6.7
234.12712	0.4
264.18048	4.7
273.11981	1.5
274.12302	1.4
308.20618	3.3
314.63623	0.4
341.20905	1.3
352.23239	2.2
396.26089	1.4
502.32169	100.0
503.32709	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	502.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26134	0.3
54.38567	0.3
55.01872	0.8
55.05511	4.3
56.05038	4.5
57.03425	1.3
57.07089	0.5
58.06603	0.4
60.08163	0.7
65.03931	3.2
67.05510	12.1
67.05877	0.6
69.07071	4.0
69.84937	0.8
69.85349	1.2
70.06590	1.0
71.07377	22.0
77.69203	0.3
79.05496	3.4
81.07059	11.0
83.04971	1.1
83.08615	1.6
84.99486	0.4
86.09708	86.9
87.10045	0.6
90.99494	0.6
91.05469	1.8
93.07056	3.1
95.08057	0.5
95.08611	7.0
95.09167	0.6
97.10140	0.4
98.21571	0.4
98.98472	8.2
98.99112	0.4
104.10751	1.2
105.07022	1.4
106.81174	0.3
107.08604	1.9
109.10141	2.2
115.02119	0.3
116.99464	0.8
119.08585	1.2
121.10134	1.1
123.11720	0.9
125.00009	22.7
133.10115	1.0
134.48466	0.4
135.11682	0.6
135.23201	0.3
136.99992	2.8
143.01062	0.6
147.11790	0.5
150.75980	0.3
163.01566	20.7
171.68958	0.3
181.02609	2.7
184.07352	10.0
244.80199	0.3
443.25586	10.0
444.25970	0.4
502.32928	100.0
503.33328	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	502.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04792	1.0
56.05036	6.5
57.03441	1.1
58.06583	0.9
59.53008	0.8
60.04521	1.2
60.05651	7.5
70.06596	47.3
71.06940	1.2
71.57241	1.3
72.08157	6.9
73.72952	1.0
74.06082	41.5
76.02233	1.4
84.04501	9.9
84.08141	12.9
85.67874	1.1
86.06081	5.5
86.09707	52.6
87.05582	1.5
88.03996	1.9
91.05441	1.4
101.07137	2.2
102.05552	5.2
107.04984	2.5
110.06045	2.6
110.07181	2.2
110.10589	0.9
112.08727	4.7
112.11234	2.0
113.07148	1.8
114.05529	5.6
115.08694	3.5
116.07107	8.3
119.04936	1.0
120.08105	1.8
122.18230	1.0
126.62494	1.1
127.08714	1.3
129.06633	1.2
129.10249	8.1
130.04956	1.1
130.08682	1.8
130.09744	1.9
133.09666	0.9
134.04466	1.6
136.07585	4.6
136.80206	0.8
141.13815	1.5
142.12340	0.9
143.11836	2.9
145.42046	1.1
147.07733	1.1
147.11320	1.0
151.03979	1.1
155.08202	1.1
156.11348	4.3
156.88747	0.9
158.09256	7.5
167.05611	1.3
169.09804	1.2
169.13379	1.5
173.09286	1.1
175.11908	14.7
187.10829	1.8
187.14395	9.9
187.15698	0.9
191.08427	1.1
197.09213	4.4
197.12784	0.9
215.10294	6.1
215.14093	2.6
241.08228	1.2
271.17737	3.3
282.18277	1.8
299.06061	1.6
308.08966	1.0
310.17557	1.4
339.19965	1.1
372.22592	3.6
405.16891	3.3
458.27170	1.7
502.29880	100.0
503.29919	2.7
510.33167	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01855	0.9
55.05510	1.5
57.03428	2.0
57.07062	0.5
61.02927	2.1
62.28118	0.3
67.05508	2.1
69.03422	7.9
69.07050	1.2
69.34730	2.4
69.35145	0.8
70.04070	100.0
70.06575	1.0
71.01376	0.4
71.04991	0.6
73.02904	1.6
73.06549	1.9
81.03419	2.8
81.07064	0.5
83.04909	0.3
84.08160	0.4
85.02897	18.6
85.06565	1.8
86.09697	0.4
87.04481	1.6
89.06031	0.4
90.64613	0.3
91.03940	0.9
93.07066	0.8
95.04942	0.5
95.08594	2.0
96.16679	0.4
97.02881	5.4
97.06548	1.2
99.04459	1.0
100.11267	1.1
102.92185	0.3
103.05434	0.4
107.04924	1.8
107.08540	0.4
109.02863	1.8
113.09727	0.4
115.05445	0.6
115.07553	0.5
116.06298	0.6
119.08591	0.4
125.01523	5.6
127.03897	4.2
128.06221	0.8
133.08583	0.4
138.99422	3.3
139.03098	1.1
142.07739	2.6
145.04932	2.3
145.06548	0.4
149.01552	0.4
151.03094	3.8
154.09743	2.9
155.08536	1.7
163.03044	4.4
165.04648	1.2
167.08615	0.4
170.10863	2.0
175.03127	1.2
176.03879	0.6
177.04660	4.6
181.04292	0.4
182.10864	0.4
182.15381	0.6
184.10808	13.6
205.07788	7.4
210.14944	0.6
217.07733	0.6
228.15884	0.4
235.08817	3.3
250.07416	0.5
274.11041	8.0
285.07797	0.6
288.13049	0.4
304.12079	11.7
317.06552	1.4
322.13132	17.4
340.14191	16.3
389.80750	0.4
391.03397	0.4
466.17380	14.2
484.18436	21.4
502.19553	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.6
53.14482	3.1
55.05511	26.2
55.96004	3.6
57.03436	27.9
57.07072	11.9
61.02925	67.6
67.05501	41.3
69.03426	31.3
69.07074	48.8
69.81551	3.7
70.19594	15.4
71.01363	4.4
71.04993	6.0
71.08624	10.7
73.02907	34.3
79.05489	12.8
81.03424	21.7
81.07043	42.8
83.08624	31.5
85.02901	61.1
91.03952	47.1
91.05471	4.6
93.07030	20.1
95.08610	36.4
97.02903	55.7
97.10184	21.1
99.04435	9.5
101.02376	12.0
103.03971	6.6
107.08589	12.7
109.02872	11.1
109.10137	22.0
111.11710	7.2
115.03926	5.6
121.10140	24.8
123.11729	5.5
124.03543	3.2
127.03894	20.9
129.05513	4.7
135.11703	17.3
137.13174	4.4
145.04962	8.6
149.13266	7.1
151.14775	4.6
159.06534	3.7
193.82059	4.0
201.07663	8.3
247.24268	12.7
265.25287	21.6
339.28992	100.0
472.18585	3.9
501.34372	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	501.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.5
57.03423	0.6
58.31114	0.6
67.05491	1.6
68.05005	0.8
69.07066	0.8
70.06588	96.7
70.15698	2.8
70.65783	0.5
71.04985	2.6
71.06921	0.6
72.08150	2.9
79.05499	1.7
81.03419	7.2
81.07055	2.3
83.04979	1.6
83.08614	2.1
84.08149	0.9
85.02897	1.0
86.09705	2.9
88.04011	2.1
88.07624	0.7
91.03956	0.7
91.05486	2.1
93.07027	0.8
95.04958	1.9
95.08579	0.9
96.52974	0.5
97.02883	1.2
97.06550	0.6
97.07661	0.8
98.03532	25.1
98.06060	0.8
105.07029	1.5
107.04946	2.5
107.08643	0.6
109.06520	0.8
110.07162	1.0
112.05109	1.1
112.08743	0.8
113.07151	0.8
116.07086	31.3
119.08563	1.0
121.06525	0.7
122.07086	0.8
125.64098	0.6
129.07002	1.0
131.08577	0.8
133.10138	0.7
136.05101	0.9
136.08685	0.8
140.04543	9.2
147.07852	0.6
149.09563	0.5
150.06618	3.2
152.08168	3.3
157.10138	0.9
158.05605	35.9
158.09216	1.2
159.07883	0.5
164.08189	12.8
168.07655	1.7
175.11128	0.9
182.09286	2.1
192.07747	0.8
193.12250	2.2
196.07135	5.7
210.08734	38.5
211.13336	1.0
212.10229	0.8
213.09911	1.1
225.98264	0.6
228.09776	7.4
238.08195	1.5
255.10902	2.2
256.09280	5.5
273.11914	100.0
274.12036	0.7
282.20880	0.6
298.99710	0.6
350.17160	0.8
368.18152	1.3
438.22278	0.9
483.24469	69.7
484.24579	2.6
501.25641	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	501.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.8
55.05504	2.0
57.03422	0.6
60.04517	0.7
67.05491	1.5
68.05022	1.2
69.03426	0.9
69.07063	0.8
69.73840	4.8
70.06584	100.0
70.72663	0.6
71.04974	3.6
72.08154	4.3
74.06075	1.8
79.05486	2.0
81.03412	8.3
81.07057	2.5
83.04982	0.8
83.08617	2.3
84.04516	0.8
84.08125	3.5
85.02891	0.9
86.06056	1.3
86.09698	2.9
87.09222	4.7
88.03997	2.3
91.05480	3.7
93.07006	0.9
95.04993	3.1
95.06081	1.2
95.08597	1.1
97.02876	0.8
97.07652	0.7
97.10208	0.8
98.03528	27.9
105.07018	1.3
107.04942	11.0
107.08562	1.0
110.07156	1.3
112.05103	1.7
112.08773	1.1
113.07106	1.0
115.08694	1.0
116.07078	26.5
116.53019	0.7
119.08557	1.8
120.08126	0.9
127.05015	1.0
129.06979	0.8
129.10178	0.8
131.08598	1.2
133.06334	0.6
133.08609	0.9
137.06003	0.9
140.04539	13.1
147.04449	0.8
147.11658	1.4
149.09595	1.0
150.06622	2.8
152.08153	4.3
157.10184	1.0
158.05598	34.7
158.09300	1.0
164.08179	13.0
168.07678	2.0
182.09358	1.2
192.07765	0.8
193.12263	3.3
196.07169	6.1
210.08713	31.7
211.13354	2.3
212.10207	1.0
228.09763	9.8
255.10841	1.7
256.09222	4.1
268.16339	1.0
273.11899	58.8
301.79126	0.7
312.04803	0.7
339.19189	2.3
368.18201	2.0
438.22299	2.1
483.24466	74.5
484.24728	1.2
501.18698	2.4
501.25507	57.6
502.26108	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03267	0.2
53.03932	0.3
70.06574	0.6
70.74440	0.5
77.03917	0.2
79.05496	0.5
81.03423	0.3
86.09703	0.3
91.05458	0.9
93.07022	0.6
94.06554	1.3
95.04958	1.0
95.08575	0.2
97.02917	0.2
106.06551	0.3
107.04944	26.6
108.05245	0.2
108.08124	0.3
120.08099	0.4
124.07616	0.2
132.08087	0.4
133.08897	0.2
136.07562	9.9
136.18970	0.2
154.08603	2.2
166.08662	1.1
178.08748	0.2
180.56703	0.2
194.09651	0.3
196.11234	0.6
197.08362	1.0
198.09090	1.4
199.09909	4.1
200.10706	0.9
210.09117	0.2
211.09834	0.9
212.10689	6.3
213.11415	1.9
226.12247	2.8
230.11768	0.2
239.09406	0.5
254.11758	2.8
257.10446	9.6
258.10907	0.4
260.12808	5.0
272.12775	100.0
273.13144	2.1
345.46591	0.2
366.16989	5.4
367.17389	0.3
378.17047	0.4
395.19592	0.3
501.10379	0.2
501.24170	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59733	0.3
53.03934	0.8
57.93920	0.3
62.32576	0.3
65.73365	0.3
69.63887	2.2
70.06579	0.5
77.03906	0.4
79.05489	0.7
80.31149	0.3
82.30518	0.3
82.77498	0.3
87.62486	0.3
91.05464	1.6
93.05747	0.4
93.07027	1.2
94.06549	2.8
95.04962	1.7
106.06550	0.3
107.04942	47.3
108.08100	0.6
126.05472	0.5
132.08093	0.3
136.07562	22.0
154.08603	6.4
166.08647	1.8
184.07533	0.3
186.42426	0.3
195.10399	0.3
196.07541	0.3
196.11194	1.0
197.08322	0.9
197.62192	0.4
198.09183	1.6
198.10664	0.3
199.09900	5.3
200.10715	1.3
207.39799	0.3
211.09813	0.8
212.10683	8.0
213.11496	2.1
226.12225	3.6
239.09366	0.7
242.11697	0.4
254.11813	3.6
257.10443	12.7
258.11102	0.3
260.12802	15.3
266.67844	0.3
272.12775	100.0
273.13193	2.4
353.25763	0.3
353.31082	0.3
366.16968	16.2
367.17380	0.5
441.93317	0.4
446.77371	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11998	1.1
51.93444	1.1
55.05499	3.7
56.96557	25.1
57.03414	1.1
61.02909	1.5
67.05505	6.0
69.00081	1.1
69.03402	1.3
69.07055	2.2
69.53192	9.7
70.06573	1.6
71.95259	3.9
76.57491	1.2
79.05473	3.2
81.03400	1.4
81.07034	3.3
84.96028	2.0
85.02859	1.1
91.05454	5.0
93.07032	3.4
95.04942	1.4
95.08580	3.2
98.20674	1.2
98.97572	1.2
102.92594	1.6
105.07009	3.5
107.04961	4.1
107.08595	1.6
109.10172	2.1
110.97527	2.6
115.34794	1.2
115.97858	1.4
116.98596	1.9
117.07050	1.7
118.92091	2.0
119.08586	2.9
120.93630	1.2
121.06487	1.8
124.81950	1.2
126.17360	1.2
128.98582	6.8
133.10107	1.7
134.99655	2.2
136.93118	3.6
141.02267	1.5
141.07089	1.2
143.08620	1.7
145.10130	2.2
146.99678	11.0
150.94582	1.7
150.95642	2.7
151.47508	1.2
154.94162	17.2
155.08485	1.2
161.01216	4.0
165.00706	2.1
168.95715	14.8
171.03352	1.2
172.95235	36.1
179.02298	1.4
186.11713	1.2
186.96790	100.0
190.96286	22.4
191.97267	1.6
195.96828	2.6
204.97844	75.0
209.98384	7.7
210.96854	5.8
212.98325	2.7
213.97911	1.8
216.06682	1.2
217.53601	1.4
224.98360	4.9
226.99951	4.0
227.99478	4.9
228.97853	14.1
230.99406	1.5
242.99377	17.6
245.00934	2.6
246.98894	3.7
247.99855	1.4
251.99533	1.8
252.10292	1.3
261.00500	2.1
263.09543	3.8
266.00980	2.1
273.18378	1.3
281.10519	2.4
282.99042	1.6
300.99203	1.2
313.14740	1.7
315.16281	41.0
331.15961	6.1
333.17340	88.8
347.18689	1.3
349.16870	1.5
351.18378	20.6
356.18915	11.2
371.19153	1.6
409.14658	7.4
423.16156	8.1
427.15466	6.1
441.17279	3.3
445.16840	1.4
451.15616	8.4
465.16925	5.7
469.16614	69.8
483.18219	61.7
484.18475	1.2
487.17502	5.2
492.18225	2.9
501.19550	13.2
501.31738	2.7
510.19116	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86328	0.3
55.42503	0.3
56.05025	0.8
57.03412	0.3
58.06606	0.4
60.04525	0.3
60.07888	0.4
60.08162	5.9
70.06591	4.1
70.13161	0.3
70.16512	1.5
71.04990	0.4
71.07371	3.2
72.08153	1.0
81.03376	0.6
81.07052	0.4
84.04504	0.6
84.08118	1.4
86.09705	31.2
87.09998	0.4
91.05482	0.5
93.06997	0.4
96.88516	0.3
97.94599	0.4
98.20770	0.4
98.98462	3.1
104.10741	2.9
107.04945	0.9
110.07172	0.6
120.08105	0.8
125.00003	20.8
129.10214	0.5
131.08566	0.3
135.20815	0.3
177.48483	0.4
184.07338	100.0
185.07632	0.8
237.02795	0.3
337.46347	0.3
351.80014	0.4
401.87512	0.3
431.03259	0.4
432.21545	0.8
450.22534	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	500.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05007	1.4
57.07069	1.3
67.05486	1.3
70.98633	1.5
70.98978	2.6
74.06065	4.0
79.05444	1.1
81.07043	1.6
84.45214	1.1
86.09708	100.0
95.08604	1.3
95.90980	1.1
98.60413	1.0
102.05515	2.2
109.02849	2.2
120.06565	4.2
130.04994	3.7
143.11790	2.1
165.93329	1.0
189.75261	1.1
213.40791	1.2
215.13936	10.3
233.14954	3.8
247.13736	1.1
262.25284	2.1
272.16217	2.6
290.77866	1.1
482.35950	5.4
501.30710	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	501.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03467	0.9
55.01854	1.2
56.96560	10.1
60.04520	1.6
60.60670	0.6
69.03421	1.6
69.82400	4.9
70.06586	10.6
72.04533	1.0
72.08142	2.1
74.06063	0.7
74.97614	2.2
79.05499	1.4
81.03416	1.4
81.04516	1.3
83.06091	1.6
84.04501	1.3
84.08131	3.4
84.96039	2.1
85.02905	3.1
85.41858	0.6
86.09695	3.4
95.04974	2.3
98.03570	1.1
98.07172	1.6
98.97581	19.0
99.05589	6.4
101.07139	2.1
102.97015	0.7
107.04951	100.0
108.05271	1.3
109.09766	0.8
110.97563	2.3
114.97066	0.8
116.07096	2.3
116.98613	21.2
120.08118	1.1
123.04436	5.0
128.98619	6.2
129.10222	1.9
131.00122	1.1
132.98091	2.6
133.01755	1.5
133.06134	0.9
134.99648	14.4
136.07576	1.2
140.98582	0.8
143.00166	2.7
146.05972	3.5
146.99632	5.6
148.07582	1.8
150.99135	9.3
152.98557	1.3
153.00708	2.0
158.05630	1.4
158.07994	0.8
158.99629	4.0
161.01236	4.9
162.05501	1.0
164.07104	1.3
166.08621	1.5
169.00185	4.5
170.99654	5.2
174.99120	3.9
177.00711	4.7
179.02312	1.5
181.01688	3.7
182.99600	0.8
187.08669	1.8
189.00681	4.7
191.02472	0.9
193.00214	19.3
193.01884	1.6
199.02724	1.2
201.00674	4.2
204.08694	1.4
205.00224	1.5
207.01756	1.1
209.01428	0.9
210.08734	1.5
211.01289	4.7
217.00198	2.3
219.01744	18.7
221.05045	1.8
223.01096	1.1
223.02966	1.1
229.00296	1.7
233.03381	5.7
235.01199	1.4
237.02806	28.4
239.02295	3.0
251.04327	5.1
255.03932	3.0
257.03357	1.2
259.01279	1.3
261.04828	1.2
273.11874	6.5
277.02289	14.8
279.03766	2.2
281.03253	0.9
289.03625	0.8
295.03357	32.5
313.04391	1.3
318.04953	1.5
325.05890	1.9
335.07031	0.9
337.05566	0.8
339.07376	0.9
383.06479	32.2
395.10245	2.2
426.92108	0.8
441.10620	3.4
501.17111	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.6
56.05034	3.3
57.03444	1.1
58.06596	1.7
60.08166	15.6
66.92377	0.7
67.05505	1.8
67.06587	0.7
69.03413	0.8
69.07050	1.2
70.06599	13.1
70.77553	1.5
70.77918	1.4
71.06999	1.1
71.07367	6.2
72.08156	4.0
74.06089	0.8
77.53539	0.9
79.05490	2.0
81.03423	3.0
81.07058	2.4
82.22778	0.7
83.04955	0.9
83.06104	0.8
83.08620	0.8
84.04510	2.0
84.08145	5.6
85.02910	1.6
85.07677	1.3
86.06089	0.9
86.09709	54.4
87.05577	0.9
91.05495	2.6
93.07040	1.7
95.04948	1.7
95.06084	0.8
95.08611	1.2
98.81363	0.7
98.98462	3.0
99.04454	0.9
102.05538	0.9
104.10751	100.0
105.07032	1.6
107.04958	1.9
110.07168	4.8
112.08728	0.9
120.08105	2.1
121.10165	1.1
125.00017	23.9
129.10265	1.9
130.25134	0.6
136.07564	1.1
157.09976	0.9
159.09047	0.9
184.07353	95.2
185.07614	1.0
254.53011	0.8
267.15924	0.8
346.50189	0.7
378.39597	0.7
432.21567	5.9
449.95593	0.7
450.22571	36.6
451.22812	1.7
456.24869	1.1
482.25024	1.0
500.29562	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.3
53.03946	1.1
55.01863	0.5
55.05512	0.3
56.96535	0.2
57.57568	0.2
61.02904	0.4
65.54061	0.2
67.05502	0.7
68.05051	0.3
69.03439	0.2
69.07055	0.4
70.04069	0.5
70.06587	0.5
71.17850	0.5
71.56698	0.2
73.47729	0.2
77.03932	0.3
79.05496	1.9
81.03414	0.5
81.07057	0.5
84.04507	0.2
85.02915	0.3
87.04459	1.4
91.05486	0.6
93.07030	0.5
95.04957	2.4
95.08622	0.4
96.08136	0.9
97.02839	0.3
97.06528	0.2
101.68755	0.3
105.04495	0.3
105.07005	0.6
107.04948	100.0
108.05264	1.1
109.10128	0.3
119.08531	0.2
121.06460	0.4
136.07568	0.2
145.10123	0.2
157.10052	0.2
164.10706	3.5
164.11975	0.4
178.61403	0.2
182.11758	13.9
183.12123	0.3
200.10710	0.3
206.45020	0.2
271.11929	0.3
286.14450	1.3
288.15933	14.1
289.16153	0.4
300.16000	0.8
378.16919	0.3
381.23785	0.2
385.18015	0.3
392.18539	1.0
393.19183	0.4
394.20120	21.8
395.20660	0.5
485.20935	0.3
487.38120	0.2
500.13376	0.4
500.16714	0.4
500.24280	7.1
500.31470	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	11.5
55.01868	5.8
55.05518	34.7
55.34726	4.7
57.03437	26.2
57.07068	10.0
60.08154	11.3
61.02647	5.5
61.02932	77.7
65.68385	4.8
67.05505	84.1
69.03435	42.3
69.07075	36.0
71.04990	8.8
71.08607	6.7
73.02920	32.6
79.05499	27.5
81.03426	27.9
81.07059	96.8
83.08607	20.8
83.96243	4.8
85.02911	90.6
86.09694	16.7
87.10063	4.7
90.18015	4.6
91.03965	42.3
91.05469	21.5
93.07031	28.5
95.04973	5.3
95.08609	68.7
97.02888	62.2
97.06526	8.2
97.10158	16.0
98.20585	7.9
99.04440	8.6
101.02355	13.1
103.03915	8.5
104.10750	40.3
105.07017	13.5
105.11078	15.8
106.11189	5.0
107.08589	19.4
109.02873	20.1
109.10158	32.2
111.11720	5.2
119.08532	11.3
121.10128	16.6
123.11678	15.8
127.03925	30.3
129.05476	9.6
133.10104	13.8
135.11771	5.9
137.13229	5.1
145.04947	9.6
147.11713	6.6
149.13272	9.5
161.13246	10.0
163.14882	5.2
175.14873	6.0
184.07350	28.9
185.07689	11.5
186.07817	15.7
187.08083	5.8
245.22644	9.6
263.23721	15.6
337.27402	100.0
481.33453	5.8
499.33386	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	499.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	10.7
55.01872	5.9
55.05513	34.1
57.03434	30.5
57.07061	9.9
61.02925	86.0
65.03936	3.3
67.05505	95.6
69.03429	50.0
69.07070	41.4
71.01333	6.9
71.04916	8.9
71.08617	3.2
71.46503	2.7
73.02916	43.9
79.05490	39.3
81.03416	31.7
81.07057	100.0
82.82789	2.9
83.04972	8.2
83.08627	28.1
85.02901	90.2
87.04469	4.4
91.03955	48.2
91.05486	25.2
93.07047	34.6
95.04984	5.9
95.08604	75.8
95.09229	3.7
97.02283	5.1
97.02890	75.3
97.06526	9.2
97.10153	10.4
99.04465	17.2
101.02384	15.9
103.03937	13.8
105.07033	15.5
107.08601	18.6
109.02861	13.5
109.10144	28.3
111.04435	4.3
111.08032	3.3
111.11723	3.4
115.03912	8.3
117.07006	3.4
119.08564	14.9
119.57694	3.1
121.10152	16.9
123.11684	19.4
127.03915	29.2
129.05450	8.2
131.08559	3.2
133.10152	17.4
134.26146	2.9
135.11697	7.7
137.13251	8.2
145.04942	10.6
145.62738	3.1
147.11687	7.5
149.13249	10.4
151.11093	3.3
153.12733	4.1
159.11699	3.2
161.13280	9.6
163.14801	7.3
175.14832	6.6
183.06584	4.2
201.07466	5.4
245.22699	14.4
253.97346	3.2
261.22040	3.8
263.23715	19.1
313.41959	3.3
337.27359	89.5
359.25317	3.6
389.26956	3.2
445.29193	3.4
481.31583	3.6
499.32751	15.8
516.67810	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	499.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.7
55.01867	5.0
55.05518	35.2
55.54199	4.4
57.03435	35.7
57.07074	10.5
61.02650	5.9
61.02930	72.8
67.05174	7.3
67.05504	96.0
68.58781	3.4
69.03432	44.7
69.07068	36.5
71.01353	4.3
71.04984	4.3
71.08579	4.2
71.58990	5.4
73.02921	36.2
79.05478	34.2
81.03423	28.2
81.07056	100.0
83.04969	5.7
83.08633	21.1
85.02905	80.2
91.03970	43.3
91.05499	28.5
93.07040	30.5
95.04962	7.2
95.08610	79.8
97.02895	55.1
97.06473	6.5
97.10156	12.4
99.04445	15.2
101.02368	9.9
103.03951	8.4
105.07020	17.3
107.04896	4.0
107.08575	18.0
109.02859	10.3
109.10147	30.1
111.04479	4.3
119.08570	9.2
121.10147	12.0
123.11697	15.4
127.03946	27.0
129.05463	9.9
131.08539	6.1
133.10138	12.0
134.42705	4.0
135.11670	12.0
137.13240	6.4
145.04953	12.8
147.11674	9.0
149.13251	13.2
157.36789	4.0
161.13286	9.6
161.61528	4.2
163.14790	9.4
175.14853	6.3
183.06528	5.4
245.22684	11.4
263.23645	22.0
285.06995	4.6
294.38062	3.9
329.24661	4.5
337.27408	87.9
456.86832	4.4
499.32611	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2284
Annotation	Masitinib
Peak:m/z	Relative Intensity
59.86851	0.4
65.03939	2.8
69.03426	2.3
69.92959	2.7
70.06586	0.7
71.08622	0.9
78.71776	0.5
81.03432	0.7
83.06104	0.9
84.04491	4.8
85.02884	0.5
88.11259	9.2
97.02879	1.4
98.06049	4.3
98.20763	0.5
100.11253	1.1
109.02879	0.5
111.04440	3.1
113.85214	0.4
116.05482	0.4
121.02859	100.0
122.03227	0.6
125.82272	0.4
127.03904	1.2
138.05484	0.5
139.03893	1.4
153.13866	4.0
154.12259	4.9
155.81984	0.5
171.14912	17.0
199.14397	21.5
200.12804	2.4
209.16643	0.5
217.15517	0.7
234.44691	0.5
237.12508	0.5
265.06961	0.7
283.08102	0.8
319.16580	2.2
337.17636	1.6
431.30551	0.5
454.34802	0.6
481.21875	1.5
499.22672	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	499.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44969	0.3
53.53703	0.4
55.01820	0.4
55.05473	0.5
56.04998	0.4
56.73533	0.3
56.96502	4.5
58.25565	0.3
69.03370	0.7
69.07034	0.5
70.06519	3.5
70.65185	0.3
71.58527	0.5
72.08080	1.5
74.97620	0.3
77.80949	0.4
79.05433	0.5
81.03307	0.3
81.07004	0.5
83.08556	0.3
84.04421	1.0
84.08138	1.9
86.09714	2.7
91.05440	0.8
95.04951	0.4
95.80257	0.4
99.04368	0.4
104.10670	0.4
105.06946	1.3
107.04948	2.7
110.07092	0.5
117.06924	0.4
120.08048	0.8
121.06477	0.4
125.00022	0.4
129.02193	0.7
129.10152	0.7
129.80606	0.4
130.06488	0.7
133.06432	0.5
136.07545	0.4
141.26897	0.4
143.08504	0.5
145.06416	0.5
145.10060	1.5
147.03181	1.4
147.04237	0.4
151.53305	0.4
155.03796	0.6
158.05910	0.6
159.03232	0.6
159.11627	0.4
161.04784	0.4
171.03217	0.6
172.95070	0.3
173.04822	1.8
173.09538	0.8
177.04359	0.4
184.07306	0.9
185.04817	0.3
185.07088	2.1
187.11176	0.6
189.00703	0.3
189.04283	0.7
191.05820	1.3
199.06416	2.2
201.07982	1.1
205.12180	1.0
213.07918	0.6
217.07498	2.6
219.08968	0.8
223.06441	0.4
223.09978	0.7
227.05933	0.4
227.09470	0.4
231.07613	1.5
241.07536	2.9
241.11073	1.2
243.12788	0.6
251.09470	5.8
253.12857	0.5
255.14783	0.3
257.10617	0.6
259.08514	1.3
269.10596	65.0
270.10843	1.8
271.13770	0.6
287.11652	100.0
288.11990	2.5
292.09100	0.5
292.12216	3.6
293.12570	0.4
305.09155	0.8
305.12717	1.8
310.13278	9.0
319.21222	0.4
379.69714	0.4
405.14676	0.4
463.23813	1.0
481.24692	8.3
499.18710	1.7
499.26096	3.5
500.19431	0.6
525.40906	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
66.29907	0.5
70.06246	0.7
70.06592	7.5
70.09005	1.7
72.08144	1.3
73.34905	0.4
77.12767	0.5
84.04493	2.0
84.08143	3.7
85.02832	0.6
86.06097	0.5
86.09677	1.5
92.01949	0.4
93.69576	0.5
98.20733	0.6
107.04956	1.3
110.07156	1.1
129.10254	2.0
130.05000	0.5
136.07603	0.7
141.10240	0.9
158.12274	0.5
240.64355	0.5
247.08217	0.9
337.12473	6.4
499.17847	100.0
500.18286	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.1
55.05517	1.7
56.05032	1.2
56.96560	0.8
57.03424	0.8
57.07054	1.5
60.04520	2.3
61.02906	2.0
67.05505	3.0
68.05007	1.1
69.03417	3.5
69.07052	2.4
70.00084	1.0
70.04075	16.1
70.06570	2.7
70.66402	2.7
71.04962	1.2
79.05489	2.3
80.05006	1.4
81.03418	4.4
81.07046	2.6
83.04975	0.8
83.08607	0.9
84.04500	38.0
84.08134	1.2
85.02881	2.4
86.09702	0.9
91.05457	2.6
93.07038	1.3
95.04981	1.3
95.06086	1.6
95.08600	2.3
96.04488	16.3
97.02884	4.3
98.06044	12.2
99.04467	1.8
99.08087	6.3
105.07030	2.1
107.04950	4.8
109.02872	5.0
109.10123	1.2
114.05583	1.2
121.06480	1.0
122.06025	1.7
124.03950	2.3
126.05508	64.6
127.03898	2.4
138.05492	100.0
144.06549	22.0
168.06546	32.0
186.07594	22.6
204.08658	50.9
266.13748	1.4
277.26483	0.9
284.15012	1.3
302.15839	7.3
405.09396	0.8
499.32443	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65311	0.6
58.79496	0.7
64.99944	0.7
65.09261	0.6
70.76958	0.8
70.77293	1.5
77.00887	0.8
82.99860	1.5
90.37859	0.8
94.99893	0.8
101.00880	7.9
103.02420	2.3
105.00365	1.0
105.23637	0.8
109.92155	0.7
113.00878	2.0
115.02416	1.0
119.01926	38.5
121.03458	1.5
127.02420	3.1
131.01921	13.5
131.04881	0.7
133.03479	1.5
137.02950	7.9
142.03470	1.6
143.01903	16.0
145.03464	34.5
146.03719	0.7
147.01358	2.3
149.02968	4.0
149.95601	0.7
154.03485	0.7
155.01892	16.9
157.03468	12.1
159.01408	2.1
159.04999	0.9
161.02957	25.7
163.04575	6.7
167.01898	5.9
168.05034	1.2
169.03459	3.2
171.01392	3.8
171.05014	2.2
173.02969	40.5
175.04562	4.5
177.02475	7.4
179.01921	2.6
181.03481	1.2
183.01398	1.0
184.04631	1.3
185.02963	40.8
186.03026	0.8
187.04527	6.1
189.02448	6.2
191.04028	2.9
193.01924	0.8
196.04552	1.6
197.02980	17.0
199.00923	2.0
199.04466	2.0
201.02444	1.1
203.04005	15.7
205.05617	0.7
207.03514	1.3
208.04602	1.0
209.02995	3.6
214.55956	0.8
215.03995	9.1
217.01938	30.1
217.05276	2.4
219.03514	4.1
221.05066	6.9
227.03993	9.9
229.01938	5.7
229.05511	1.2
235.03004	16.2
239.04088	1.1
245.05077	100.0
246.05249	0.9
247.02962	7.8
247.06720	1.7
249.04585	1.4
253.04059	2.4
257.05096	11.4
258.04639	1.7
261.04611	2.6
263.06152	14.8
265.04095	2.7
268.06549	0.9
275.06143	14.1
277.04086	11.9
277.06912	1.5
279.05627	5.1
286.07755	2.1
293.07169	6.3
295.04999	0.9
301.04028	6.0
305.07138	12.3
306.07022	0.8
311.09634	0.8
316.08609	0.8
317.07092	1.1
319.05103	13.8
319.08585	1.6
335.08228	3.6
337.06140	16.3
337.09967	1.5
365.09326	10.4
379.07196	1.9
383.10330	2.4
441.10959	3.8
499.11111	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	498.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.9
57.07076	44.6
60.08155	6.8
69.07077	3.2
69.33340	2.3
71.08633	32.8
73.06535	8.6
83.08618	3.5
83.60661	2.3
85.10175	25.9
86.09711	18.3
87.04471	3.9
87.10017	2.7
89.06033	100.0
91.71529	2.6
95.08604	4.0
97.10183	6.8
99.11758	4.4
104.10719	24.9
105.11076	8.3
107.07064	6.3
107.81113	2.5
108.70103	2.6
119.10007	2.2
125.00002	5.5
133.08607	55.4
155.17932	3.7
177.11255	20.1
184.07390	23.3
185.07701	10.4
186.07858	8.3
199.20590	6.5
221.13803	3.3
239.15002	3.9
243.23190	6.0
260.22519	2.9
266.21252	2.5
283.17609	3.7
287.25766	4.0
309.64758	3.2
327.20172	10.1
481.37369	7.4
498.33231	3.6
499.33838	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	498.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17081	0.3
55.05474	1.3
57.03435	3.5
57.07071	2.7
58.06599	14.4
58.27556	0.3
59.07384	4.2
59.42141	0.3
60.04532	1.7
60.04756	0.5
60.08168	5.1
67.05498	2.8
68.68841	0.3
69.07041	1.1
70.06595	2.3
70.17887	1.6
71.04993	7.8
71.07353	0.5
71.08643	1.5
73.02907	0.4
75.04473	1.9
79.05468	0.8
81.06660	0.3
81.07054	3.1
83.08585	0.8
84.08139	0.5
85.02861	0.8
85.10141	1.1
86.09702	2.6
87.04474	2.7
87.10001	1.0
88.03967	0.8
88.07629	27.5
89.05997	0.5
91.05443	0.3
93.07024	0.5
95.08593	2.6
98.20827	0.4
98.98434	1.2
103.03941	0.4
104.10744	5.3
105.05482	0.5
105.06979	1.3
105.07619	0.3
105.11038	1.4
106.08666	13.3
109.10122	1.1
123.11726	0.4
124.99966	1.0
127.20336	0.3
131.07013	0.9
135.11823	0.3
144.10216	4.7
150.09554	0.3
155.00989	0.7
162.11208	1.7
167.97917	0.5
184.07332	5.0
185.07741	2.3
186.07773	0.9
200.12756	0.8
209.00305	0.3
218.13869	0.4
236.14917	78.4
237.15352	1.1
245.58243	0.3
260.08939	0.9
269.85248	0.3
313.27350	21.9
314.27789	1.2
326.30603	0.6
329.38715	0.4
392.94464	0.4
405.83005	0.3
436.37891	0.7
437.20251	1.4
453.22974	0.4
464.45264	0.3
480.36874	35.4
481.37198	1.2
498.37927	100.0
499.38272	3.7
503.56686	0.4
506.77939	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.2
57.03431	3.0
57.07077	11.9
58.06605	7.9
59.07360	2.0
60.04533	7.7
60.04799	1.4
60.08150	2.4
67.05492	4.0
69.07059	3.3
70.06602	10.4
71.03635	1.5
71.03981	2.0
71.04994	40.5
71.08626	9.7
75.04455	1.1
81.07037	3.0
83.08613	2.6
85.10186	4.4
87.04466	1.0
88.07632	100.0
95.08618	5.6
97.08825	1.0
98.98441	2.9
106.08669	34.4
109.10132	2.1
123.11742	1.1
144.10205	2.4
167.97995	1.4
174.71796	0.9
180.60802	1.0
186.05283	1.5
202.09296	1.1
236.12561	2.0
236.14906	28.4
253.49391	1.1
313.27356	58.7
326.30643	1.4
332.42508	1.0
349.95325	1.0
391.55206	1.1
437.20230	3.1
480.30676	3.3
480.36746	7.1
498.25766	1.3
498.32059	1.7
498.38028	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	498.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91110	1.2
53.03938	2.3
55.01867	2.4
55.05506	7.5
57.03434	7.1
59.04993	1.3
61.02915	4.8
65.03914	1.5
67.05499	35.3
69.03430	3.9
69.07075	7.0
69.34659	14.3
70.06580	7.8
71.04982	9.3
72.08144	1.9
73.02913	1.7
73.06544	1.7
79.05490	15.5
80.05074	1.2
81.03403	3.5
81.07050	54.5
81.07516	3.2
83.04990	2.5
83.08612	6.2
84.04463	1.8
84.08134	2.9
85.02895	7.6
85.06544	7.4
86.09706	4.4
87.04472	3.1
89.06033	2.9
91.03939	3.6
91.05466	16.0
93.07034	25.9
94.06608	1.6
95.04955	6.1
95.06084	5.6
95.08595	10.0
97.02884	4.1
97.06513	5.3
98.97546	1.7
99.08088	3.2
101.54665	1.3
103.05461	2.1
105.07025	7.7
107.04947	16.5
107.08587	10.4
108.04459	3.7
109.02908	1.7
109.06497	2.2
109.10156	4.3
110.07154	2.3
111.08078	3.6
113.07127	1.9
117.07020	5.0
118.06587	2.4
119.08596	3.2
120.08102	2.4
121.02827	3.4
121.06505	13.0
121.10133	5.0
123.11707	6.6
124.07585	3.4
126.87894	1.4
131.08574	7.2
133.08606	1.9
133.10117	14.2
135.11690	4.7
138.05443	1.8
146.05991	5.0
147.11644	1.8
148.07545	1.6
149.13234	10.2
151.11186	4.6
159.11694	24.8
161.13242	3.2
168.06551	4.4
169.10168	2.7
174.05420	1.7
177.12744	30.2
179.14319	9.0
187.13306	7.3
193.12283	1.6
195.13783	5.3
204.06528	3.0
206.08138	3.4
210.49649	1.4
211.08675	4.2
225.10271	4.6
226.12589	1.7
227.08171	1.8
239.11816	5.9
240.08879	2.5
240.13828	2.3
241.09669	1.4
243.15898	40.2
251.13797	1.6
251.16299	9.2
253.09686	4.9
267.11270	8.7
269.17459	100.0
283.51105	1.4
285.12595	2.0
286.18091	3.0
295.10767	5.8
297.12305	2.4
301.20023	18.1
311.05450	3.3
313.11792	33.7
323.10132	1.9
341.11188	15.2
359.12442	3.9
373.09189	2.9
373.13895	55.6
374.14044	3.2
394.23767	6.3
412.25003	2.4
445.24249	5.9
466.19629	4.1
480.21368	2.5
480.29071	1.5
498.28128	31.0
498.34586	2.3
499.21295	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35445	0.7
57.07077	4.9
58.06578	0.6
58.65253	0.7
67.05485	2.0
69.07057	2.6
70.04072	2.7
76.08289	0.6
79.05484	2.6
81.07042	3.0
82.06516	0.7
82.22910	0.8
87.43077	0.9
91.05492	3.0
108.08080	1.5
118.04158	3.0
126.09204	0.8
130.06500	2.1
131.08549	2.7
148.08650	4.7
150.10313	1.5
152.11804	2.9
157.07610	8.1
173.13222	0.8
178.09770	8.4
184.08725	14.9
185.07069	2.1
185.09471	1.1
188.08110	1.9
192.11282	10.6
210.09114	1.4
212.08180	15.3
227.11737	6.2
241.13348	5.2
247.36511	0.8
254.12933	5.4
258.85623	0.9
268.14435	42.3
269.15219	100.0
270.15427	2.1
396.14679	11.7
498.21735	1.7
498.86099	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85651	1.1
55.01865	1.6
55.05497	5.6
56.76118	1.3
57.03425	5.2
59.05003	1.7
61.02919	3.2
64.81540	1.3
67.05499	29.8
69.03421	1.4
69.07075	4.9
69.09325	1.1
70.06563	3.9
70.34212	4.2
70.34589	2.7
71.04990	7.4
72.08113	1.2
79.05492	8.9
80.55373	1.1
81.03387	2.4
81.06573	2.6
81.07053	52.8
83.04977	2.9
83.08603	6.2
85.02898	3.7
85.06541	8.9
86.09680	1.3
91.05477	10.4
93.07048	14.8
94.45411	1.2
95.04961	3.0
95.06055	1.7
95.08624	6.3
97.02905	1.5
97.06537	5.8
98.06130	1.3
99.08135	1.8
105.07041	4.7
107.04969	6.3
107.08588	6.6
109.10146	4.2
117.07001	2.4
119.08576	2.0
120.08144	1.9
121.06516	3.1
121.10133	4.0
123.11710	8.4
124.07575	1.4
127.03889	1.6
131.08534	2.2
133.06500	1.5
133.10121	10.7
135.08099	1.5
135.11647	2.2
143.49054	1.3
145.05161	1.3
146.97267	1.2
149.13237	9.5
151.11153	3.5
159.11656	15.6
161.13239	3.6
169.10130	2.4
174.05560	1.4
177.12724	23.7
179.14299	8.6
187.13208	7.1
195.13818	3.7
213.49152	1.4
225.10364	2.2
233.15459	2.5
233.62808	1.5
233.65170	1.4
239.11839	3.1
243.13416	2.5
243.15910	45.0
251.16405	3.9
267.11258	2.3
269.17468	100.0
295.11005	1.6
301.20139	10.6
313.07791	1.8
313.11774	9.8
341.11279	2.2
373.13931	20.4
457.23062	1.3
466.19769	1.8
498.30002	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	4.7
58.48541	0.6
61.86338	0.6
62.50076	0.6
64.11393	0.7
67.05513	1.3
69.07051	1.8
70.04065	2.7
75.57363	0.6
79.05480	1.7
81.07047	1.3
91.05491	2.4
98.09654	1.0
98.20705	1.5
108.08105	1.7
110.05997	0.8
112.44698	0.6
115.05451	1.0
117.06979	0.9
118.04149	2.6
130.06448	3.1
131.08562	3.6
134.70819	0.6
135.01431	0.8
148.08672	3.8
150.10309	1.4
151.08641	0.9
152.11771	2.5
157.07616	9.3
170.07175	0.7
172.08705	6.0
173.13297	1.7
178.09743	11.2
184.08694	16.7
185.07069	2.1
188.08153	2.5
192.11324	10.5
210.09109	1.9
212.08189	18.5
227.11760	6.8
229.67758	0.8
241.13364	4.8
254.12840	5.0
268.14447	33.6
269.15207	100.0
270.15588	1.3
396.14651	8.0
397.14636	0.7
498.21567	18.1
498.85699	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20217	0.4
56.44576	0.4
60.62955	0.4
69.03381	0.5
70.06583	0.6
71.59532	0.4
79.05497	0.6
81.07050	0.6
91.05492	1.0
95.08605	0.6
105.07028	0.6
107.04980	0.7
107.08620	0.6
123.43386	0.4
131.08577	0.6
133.10152	0.5
149.07198	0.5
179.79222	0.5
338.30081	0.4
387.20282	0.5
395.21814	0.7
413.23233	2.4
421.27222	0.9
439.28244	9.3
479.31250	0.7
497.32428	100.0
498.32834	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	497.324
Annotation	Coronalolide methyl ester
Peak:m/z	Relative Intensity
61.02896	0.5
65.47351	0.5
67.05506	0.7
69.07069	0.6
70.06551	0.6
70.88883	1.1
70.89211	0.5
72.08173	0.5
81.07062	1.3
85.02918	0.5
91.05483	0.5
93.07040	0.7
95.08597	0.6
97.06551	0.5
105.07030	0.8
112.77808	0.5
130.94183	0.4
133.76077	0.5
139.03500	0.5
323.90179	0.5
414.63226	0.5
439.28149	6.1
479.31128	2.4
497.32364	100.0
498.32773	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20217	0.4
56.44576	0.4
60.62955	0.4
69.03381	0.5
70.06583	0.6
71.59532	0.4
79.05497	0.6
81.07050	0.6
91.05492	1.0
95.08605	0.6
105.07028	0.6
107.04980	0.7
107.08620	0.6
123.43386	0.4
131.08577	0.6
133.10152	0.5
149.07198	0.5
179.79222	0.5
338.30081	0.4
387.20282	0.5
395.21814	0.7
413.23233	2.4
421.27222	0.9
439.28244	9.3
479.31250	0.7
497.32428	100.0
498.32834	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	497.3111
Annotation	Polypodine B
Peak:m/z	Relative Intensity
53.03938	8.0
55.01861	7.7
55.05513	22.2
57.03444	24.9
57.07087	6.4
58.01983	3.6
61.02695	4.4
61.02930	45.2
65.03973	4.2
67.05173	5.9
67.05508	62.1
69.03429	31.3
69.07072	21.1
69.07366	3.7
70.06583	7.0
71.01337	4.1
71.04991	5.9
71.08620	4.7
71.41993	7.1
73.02906	17.8
79.05493	57.8
81.03419	19.7
81.07054	73.4
83.04990	7.7
83.08615	11.9
85.02907	36.2
85.06547	6.4
86.09721	4.9
87.04511	3.3
91.03967	21.5
91.05479	38.2
93.07041	43.2
95.04957	14.9
95.08153	4.1
95.08616	50.8
97.02894	36.6
97.06537	10.6
97.10188	8.7
101.02377	5.6
103.03964	4.4
105.07040	36.9
107.04950	9.4
107.08601	27.0
109.02834	5.8
109.10147	17.4
111.04422	5.8
111.08049	4.3
115.03870	4.8
117.07014	16.6
119.08586	29.1
121.10133	18.1
123.11744	5.0
127.03896	7.5
129.05482	6.8
129.06981	9.5
130.56161	3.8
131.08597	26.2
133.06468	5.4
133.10129	17.1
135.08032	5.0
135.11687	15.8
137.09694	3.9
143.08551	10.7
145.10086	20.9
147.07942	4.1
147.11679	15.4
149.09689	5.0
149.13252	12.7
155.08582	7.2
157.10104	6.5
159.08067	7.1
159.11700	14.5
161.09538	5.7
161.13220	7.0
163.14838	5.7
169.06442	4.6
169.10164	6.1
173.09557	4.2
173.13269	11.2
175.14819	6.8
178.99112	4.2
181.10020	4.6
185.09691	6.1
185.13197	6.9
187.14835	8.4
199.14859	5.0
243.21104	5.7
261.22144	14.7
275.19980	10.1
279.23111	4.9
285.22086	5.9
291.23038	4.7
303.23254	10.4
308.44333	4.1
311.93900	4.1
313.21811	4.1
315.22998	7.0
317.24857	6.7
327.23245	6.7
335.25616	28.1
341.24493	5.6
348.98083	4.0
351.23053	4.3
369.24088	11.6
377.26590	4.6
387.25256	4.5
389.26678	4.0
405.26157	7.1
412.50443	3.8
419.27594	9.2
431.27692	7.3
443.27972	27.2
461.29071	10.6
479.29828	14.8
497.32568	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.7
55.01868	7.8
55.05300	3.2
55.05521	32.7
55.95480	2.4
57.03440	38.0
58.52057	2.8
61.02930	67.5
66.20996	2.9
67.05509	100.0
69.03434	48.0
69.03779	5.4
69.07067	26.2
70.44383	11.6
71.01353	5.8
71.04984	10.5
73.02916	31.4
79.05499	66.0
81.03424	26.0
81.07060	94.7
83.04999	8.3
83.08634	13.9
85.02908	60.1
87.04482	6.2
91.03971	33.6
91.05480	55.5
93.07052	66.5
95.04979	13.2
95.08611	79.6
97.02901	51.7
97.06519	5.4
97.10192	4.3
99.04448	12.0
99.08109	4.1
101.02374	11.0
103.03968	11.4
105.07037	36.2
107.04963	4.9
107.08591	36.2
109.02881	10.5
109.06525	6.4
109.10159	35.3
111.04446	3.7
115.03951	6.1
115.05461	4.3
117.07010	19.7
119.08585	27.6
121.06493	5.2
121.10154	25.1
123.08108	7.7
123.11723	10.4
125.09650	6.2
127.03906	18.9
129.05481	3.7
129.07010	11.2
131.08577	31.2
133.10097	26.0
135.08040	5.0
135.11717	25.2
137.09624	4.4
142.87224	3.0
143.08554	9.3
145.04987	5.4
145.06555	3.8
145.10139	18.1
147.11688	16.6
149.09624	4.4
149.13327	13.9
151.30002	3.0
157.10185	8.6
159.11694	17.7
161.13304	9.9
163.11266	3.3
163.14778	4.3
164.00868	3.8
168.08653	2.7
169.10129	3.6
171.08078	2.9
171.11673	7.9
173.13298	14.7
175.14867	5.5
177.12799	4.5
183.06516	7.5
185.13254	4.8
187.14848	6.5
197.13332	4.6
197.34828	3.0
201.12741	3.2
231.17982	2.6
243.20982	4.9
259.20639	5.1
261.22235	14.7
275.20178	2.9
277.21625	5.0
285.22107	3.4
301.21771	5.2
327.23300	5.3
335.25787	57.5
357.24243	3.2
363.25540	3.4
367.30316	3.0
369.24228	4.8
387.25311	3.2
442.94193	3.2
443.28192	4.0
455.21259	6.8
461.29163	5.5
479.29712	4.4
497.31210	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.1
55.01872	9.2
55.05503	24.6
57.03435	36.8
60.39530	6.0
61.02644	8.5
61.02928	100.0
67.05505	89.0
69.03431	54.3
69.07064	28.1
70.22802	10.2
70.23214	15.3
71.01377	10.1
71.04984	10.5
73.02924	45.3
79.05493	69.4
81.03405	28.4
81.07055	84.0
83.08627	14.1
85.02431	8.0
85.02908	86.6
87.04469	6.8
91.03948	61.0
91.05489	46.2
93.07043	78.6
95.04998	12.4
95.08605	72.3
97.02903	83.4
99.04466	16.0
101.02420	14.5
103.03916	12.3
105.07014	23.9
107.08607	34.4
109.02918	15.3
109.10159	36.7
117.07020	12.8
119.08579	23.9
121.10134	38.4
123.11709	18.3
127.03923	34.6
131.08577	32.6
133.10114	18.4
135.11705	15.7
140.39513	6.5
145.10146	16.9
147.11693	15.5
149.13275	13.8
155.08736	6.0
161.13248	7.6
173.53256	5.3
187.14714	8.0
191.14238	6.3
236.68581	7.6
258.71439	6.2
261.22180	25.7
335.25797	77.4
497.31158	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	497.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73042	3.1
53.03944	12.7
55.01874	5.4
55.05514	30.9
56.20576	2.9
56.44717	2.8
57.03439	31.9
61.02932	52.9
65.03950	4.4
66.43992	2.7
67.05508	100.0
67.05871	5.0
69.03432	46.1
69.07061	22.8
70.22832	6.2
70.23211	8.2
71.01363	11.7
71.04987	9.5
73.02922	31.2
73.79549	2.6
77.03918	3.7
79.05497	70.3
79.05954	4.7
81.03419	23.4
81.07059	81.3
83.04987	10.2
83.08624	11.5
85.02908	55.6
87.04456	3.8
91.03963	39.4
91.05486	39.1
93.07052	63.7
93.79433	3.0
95.04976	12.9
95.08612	74.6
97.02890	46.4
97.06551	4.9
97.10152	8.0
99.04465	11.3
101.02404	8.4
103.03891	5.3
105.07036	34.5
107.08593	35.6
109.02891	10.8
109.06516	4.7
109.10164	31.6
115.03928	5.5
117.07005	17.6
118.08917	3.7
119.08594	28.0
121.10164	32.2
123.08109	3.3
123.11723	13.9
125.09688	3.2
127.03896	21.2
129.05521	4.2
129.06995	5.4
131.08566	19.8
133.10104	15.3
135.11693	19.0
137.09570	4.0
139.07434	3.1
143.08600	3.9
144.46077	3.8
145.04961	7.2
145.10118	16.7
147.11696	14.9
149.13298	12.2
151.07549	3.6
151.11206	3.5
157.10168	5.4
159.06396	4.2
159.11716	13.1
161.09680	5.0
161.13277	11.0
163.14841	6.1
169.10127	4.5
171.11678	5.6
173.13293	11.1
175.14813	4.6
185.13316	5.5
187.14853	8.5
243.21194	7.1
253.45578	2.9
261.22165	18.9
315.23172	4.4
322.13657	3.2
335.25803	58.1
351.23056	4.2
387.25641	3.6
404.31531	3.5
405.26312	3.8
497.31110	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01867	0.5
56.96563	0.5
57.03424	0.4
58.99577	4.9
58.99859	0.4
67.05504	1.4
69.03384	0.3
69.84413	2.0
70.06583	0.5
70.99179	0.3
76.02223	43.7
76.03973	1.7
79.05476	1.9
81.03384	0.7
81.07062	0.9
83.05001	0.4
85.02902	0.4
86.99055	2.2
88.02197	0.6
89.12077	0.3
91.03928	0.3
91.05472	0.9
93.07031	0.9
95.04957	2.5
95.08581	0.5
97.02891	0.4
97.06532	0.5
105.04527	0.3
105.07035	0.5
107.04947	100.0
108.05267	1.0
109.06532	0.3
109.10123	0.4
116.01669	12.7
117.07098	0.3
119.08592	0.4
124.07545	0.3
131.08592	0.5
144.01137	8.6
145.10149	0.3
149.09650	0.4
162.02193	34.3
175.11288	0.4
179.04839	89.0
268.06329	2.0
285.09012	34.2
317.16544	0.4
391.13214	5.1
442.10495	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19476	2.1
53.03940	9.2
55.01866	6.0
55.05507	22.1
57.03431	32.2
57.07061	5.3
61.02921	60.8
65.03928	6.6
67.05500	92.8
68.05817	2.6
69.03429	37.1
69.07061	26.2
70.31091	5.0
70.31483	5.1
71.01352	5.9
71.04975	9.2
73.02914	28.8
79.05051	4.4
79.05486	57.2
81.03408	23.0
81.07051	100.0
83.04961	7.8
83.08616	12.6
85.02898	50.0
87.04457	3.7
91.03468	3.2
91.03963	34.0
91.05473	53.4
93.07040	71.5
95.04980	11.4
95.08595	67.1
97.02888	50.3
97.06514	6.5
97.10126	3.7
99.04443	13.7
101.02377	13.4
103.03262	2.3
103.03934	8.1
105.07034	38.0
105.62582	2.5
107.04965	4.9
107.08579	31.5
109.02876	9.3
109.06511	5.2
109.10150	32.1
111.04426	5.2
111.08072	3.8
115.03947	5.4
117.05489	2.6
117.06979	14.2
119.08570	26.5
121.06525	4.7
121.10134	28.2
123.08039	4.5
123.11694	10.1
127.03907	17.6
128.06223	3.1
129.05498	5.5
129.07001	6.5
131.08537	21.6
133.10123	17.5
135.08012	5.9
135.11723	19.5
137.09608	4.2
137.13286	2.8
139.62134	2.5
143.08574	5.7
145.04962	9.2
145.10095	11.3
147.11691	17.1
149.09627	3.3
149.13243	12.7
151.11028	2.5
157.10143	4.2
158.97650	21.3
159.11682	11.4
159.97968	6.2
160.97345	20.9
161.13243	8.7
167.08492	2.6
171.11694	3.2
173.13263	9.3
175.14774	5.7
183.06375	2.6
183.11783	3.0
187.14844	5.0
195.00226	6.3
201.07533	3.0
220.13509	2.8
241.19426	3.1
243.21147	5.7
259.20593	4.6
261.22113	20.8
268.71237	2.4
275.20126	2.5
277.21722	2.8
301.21613	4.6
315.23117	2.9
333.24109	3.7
335.25781	61.9
369.24191	5.2
443.28159	3.6
461.28897	2.5
479.29947	5.1
497.30756	18.4
498.09195	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	497.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04478	1.0
62.51498	1.0
70.06556	1.3
70.48086	3.2
73.19363	0.9
75.02139	1.0
84.04513	0.9
84.95966	1.0
85.91348	0.8
98.97588	2.8
103.05497	1.2
105.07031	11.9
107.04953	3.3
112.12659	1.0
116.98603	2.3
119.64098	1.2
133.06490	36.6
134.99652	1.7
143.05643	8.6
155.04694	4.1
185.04347	2.3
203.05280	8.4
225.18460	0.9
237.02861	3.9
255.58253	1.1
259.85339	1.1
319.11526	3.9
381.10767	1.5
391.10464	1.3
451.28906	1.1
497.16296	100.0
498.16254	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.154
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	4.5
56.96571	13.0
60.04516	3.6
70.02939	2.4
70.06590	43.8
71.06958	2.3
71.11304	1.5
71.58365	3.4
72.08148	9.9
74.06077	3.2
80.62196	1.5
82.95137	1.4
83.06071	2.0
84.04510	9.6
84.08144	20.2
84.96019	3.8
85.08466	2.7
85.23219	1.5
86.09702	15.1
87.05592	2.5
97.02904	1.6
98.06065	1.9
98.97578	53.2
102.05537	3.6
104.10744	1.9
105.07018	3.5
107.04951	9.3
110.07150	13.3
110.97619	3.7
112.08688	1.9
115.08722	2.0
116.07131	1.5
116.98618	51.9
120.08078	8.2
126.05464	1.5
127.03258	4.2
127.08728	2.1
128.98627	7.8
129.10254	9.3
133.06465	4.7
134.99655	31.3
136.07581	8.3
138.00851	1.5
143.00122	2.6
143.05536	1.8
146.99635	9.5
149.01219	2.3
153.00714	3.5
154.49159	1.5
158.99652	12.1
161.01303	4.3
165.00714	2.5
170.99654	3.0
173.04883	2.9
177.00713	20.1
189.00722	2.5
191.05933	11.8
201.00830	2.0
201.04338	4.2
209.07048	3.1
213.12352	1.9
215.05902	7.2
217.07498	4.6
219.01741	19.9
219.05362	2.7
233.07036	5.0
237.02794	44.9
243.05450	8.5
255.03775	3.9
257.06946	2.8
260.04559	3.1
261.06467	11.3
269.06958	1.6
279.07599	4.2
289.05902	1.9
303.07541	3.9
307.06906	2.3
312.55145	1.7
317.09100	5.9
335.10129	20.9
345.08786	2.8
363.09592	43.7
365.10532	3.1
381.10672	100.0
382.11060	3.1
390.21701	1.6
404.12198	11.2
453.26001	6.4
497.16254	15.6
497.22983	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	497.152
Annotation	Unknow
Peak:m/z	Relative Intensity
68.34029	0.2
69.03430	1.0
70.06591	0.5
71.57926	0.3
81.03397	0.2
84.04490	0.3
84.08165	0.3
85.02897	0.6
87.06713	2.8
94.88272	0.2
95.04966	0.2
99.04450	0.2
103.55318	0.3
107.04951	6.3
107.65128	0.2
109.02866	0.3
110.07166	0.4
113.04574	0.3
113.05997	0.2
116.92506	0.2
116.98611	0.3
127.03926	0.7
129.10233	0.3
136.07587	0.5
141.04092	0.5
143.05643	100.0
144.06056	0.4
155.05635	0.4
172.95326	0.3
177.04359	0.3
190.96300	0.2
192.01863	0.3
249.09789	0.4
263.21124	0.2
305.10864	2.6
316.99307	0.5
341.40768	0.3
347.12112	0.2
373.09906	0.6
391.10938	17.2
392.11386	0.4
485.02786	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89792	0.8
57.96162	0.7
59.85489	0.8
62.43357	0.8
68.46755	0.8
69.59512	0.7
69.59840	5.7
70.06590	1.4
76.02535	0.7
82.99846	1.0
87.05602	0.7
97.02910	0.9
100.02479	0.8
101.00876	1.1
107.04977	1.2
110.07171	1.0
111.04124	1.3
118.03526	6.3
119.01913	7.8
127.03490	1.6
129.05095	7.7
130.03545	1.6
131.01884	2.9
136.04559	6.7
137.02951	1.4
143.01891	4.3
143.05614	4.7
144.03798	1.1
145.03447	4.3
145.04587	5.3
147.06145	7.9
148.04553	3.3
154.03485	2.5
154.94179	1.9
155.01855	3.2
155.03065	2.0
156.05090	1.4
157.03456	2.2
161.02971	7.2
167.01897	1.9
169.03485	1.1
171.04907	1.0
171.06184	2.6
172.04553	13.8
172.95241	6.1
173.02890	5.0
173.04112	18.3
175.04584	1.4
180.01427	3.5
180.28766	0.8
184.04546	1.0
185.02942	11.7
190.05595	3.8
190.96294	3.2
191.05153	21.9
197.02670	4.0
197.04442	1.5
198.02498	3.2
203.03995	4.5
214.96274	5.3
215.05151	100.0
216.03542	4.5
216.05188	3.6
226.05687	0.9
227.05234	18.3
230.19582	0.9
232.97337	1.8
233.06184	1.6
239.05093	6.0
244.97421	1.7
245.05228	20.5
251.05154	1.0
256.07822	1.3
257.06363	3.9
259.07678	0.9
263.06134	2.9
269.06155	1.5
275.07281	15.2
299.07260	1.8
305.07126	2.1
316.99658	4.8
317.08237	18.2
335.00589	2.1
335.09387	7.8
363.07120	1.3
377.10767	3.7
377.14844	0.8
407.11432	1.2
497.14310	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	496.3396
Annotation	2-Palmitoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
56.05027	1.0
57.03454	0.6
57.07066	2.2
58.01566	0.5
58.06602	1.0
60.07876	1.0
60.08166	14.9
67.05463	0.7
68.66714	0.5
69.47380	3.8
69.47784	1.0
71.07374	5.2
71.08626	2.1
81.07070	0.6
83.08614	0.6
86.09708	45.9
95.08602	0.6
98.98467	2.2
104.10745	98.7
107.83575	0.5
125.00002	22.6
127.02283	0.5
134.57933	0.5
135.27966	0.5
184.07346	100.0
185.07712	0.8
189.36429	0.5
258.11008	1.1
313.27347	2.1
333.93631	0.5
390.20938	0.5
419.25461	0.6
478.32870	9.5
479.73642	0.7
496.33975	21.4
497.34134	0.9
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	Unknow
Peak:m/z	Relative Intensity
56.05036	1.3
57.07060	2.4
58.06599	1.6
58.83773	1.0
60.08163	14.4
69.38702	5.2
69.39106	2.6
71.07372	6.1
71.08598	1.1
78.70251	0.9
81.07028	1.1
86.09706	49.7
98.20703	1.7
98.98470	3.9
104.10744	82.9
109.10183	1.0
114.34327	0.9
125.00006	25.7
125.00887	2.0
184.07343	100.0
215.31941	0.8
313.27283	1.3
361.37918	0.9
478.33081	6.8
496.34006	21.8
513.01385	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02046	0.3
56.05012	0.5
57.07070	0.6
58.59966	0.3
60.07881	0.4
60.08164	6.0
63.10176	0.3
66.64122	0.3
69.07063	0.3
70.01126	0.5
70.01543	1.2
71.07376	2.9
71.08617	0.6
86.09705	32.1
87.10023	0.4
95.08627	0.3
98.98457	3.2
104.10736	2.9
125.00003	21.4
184.07339	100.0
185.07695	0.9
356.14243	0.3
358.44214	0.3
478.32904	0.9
496.33875	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2668
Annotation	Cytochalasin Z5
Peak:m/z	Relative Intensity
54.06889	0.3
55.05510	1.2
56.05038	2.3
57.03435	0.7
58.06607	1.2
59.07363	0.4
60.04506	0.4
60.08166	18.2
61.01155	0.6
65.03925	0.5
67.05506	2.7
69.07076	0.8
70.06590	9.7
70.98436	0.7
71.06970	0.5
71.07372	7.7
72.08144	2.8
74.06095	0.6
79.05492	3.0
81.03422	0.5
81.07064	1.7
83.04980	0.4
84.04511	1.5
84.08142	3.7
86.09708	55.9
87.05611	0.4
87.10046	1.0
91.05479	3.3
93.07048	1.9
93.61290	0.4
95.04990	1.2
95.08620	1.3
95.09232	0.3
98.06079	0.5
98.98464	4.5
99.04433	0.4
101.07124	0.5
104.10745	100.0
105.07042	1.4
107.04960	1.2
107.08591	0.6
109.02941	0.4
109.10117	0.5
110.07172	1.8
116.07050	0.4
117.06988	0.5
119.08634	0.8
120.08105	1.4
121.06488	0.4
121.10168	0.4
123.08002	0.4
125.00007	28.2
129.10260	1.9
130.05008	0.4
130.06494	0.4
131.08563	0.6
133.06480	0.4
136.06190	0.9
136.07553	1.0
163.01521	0.4
184.07343	93.9
185.07671	0.7
185.09851	0.6
191.71675	0.3
218.09271	0.4
221.15442	0.7
249.60715	0.4
258.11008	1.0
326.20782	0.4
442.23318	1.3
460.24576	10.4
478.25656	18.6
496.26239	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78009	0.3
55.01858	0.5
55.05490	0.8
56.05019	1.2
57.03431	0.3
58.06590	0.7
60.04514	0.4
60.07882	0.4
60.08164	6.9
67.05493	0.9
67.52684	0.2
68.05022	0.3
69.07059	0.5
69.52184	0.7
69.52599	1.4
70.06590	8.9
71.06960	0.4
71.07374	2.7
72.08159	2.3
74.06073	0.5
79.05492	0.6
81.03451	0.3
81.07041	0.7
83.08580	0.4
84.04510	1.8
84.08151	3.3
86.09705	34.6
87.05569	0.3
87.10021	0.4
88.03973	0.6
91.05455	0.7
93.07045	0.5
95.08603	0.3
98.21431	0.6
98.98474	2.4
102.05550	0.5
103.05482	0.3
104.10742	5.3
107.04942	1.4
110.07166	1.9
112.08710	0.5
114.18546	0.2
116.07097	0.4
120.08102	3.8
124.99999	21.0
126.02460	0.5
127.03275	0.4
127.08652	0.5
129.10219	1.5
130.05000	0.4
131.04909	0.4
136.06166	0.5
136.07567	0.8
143.01073	0.4
143.11775	0.4
155.08128	0.3
158.33180	0.3
159.09189	0.4
165.10110	0.3
184.07336	100.0
185.07445	0.3
185.09813	1.1
186.10527	0.3
188.27200	0.3
198.76205	0.2
199.07019	0.3
201.12402	0.3
233.16356	0.4
258.11057	0.4
281.63748	0.3
346.12888	0.3
394.16418	0.3
409.36520	0.3
452.26071	0.4
455.32028	0.4
460.24557	0.7
471.36765	0.3
478.25662	1.7
496.27679	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.05501	2.0
56.05018	5.2
60.04507	4.3
69.07063	5.7
69.51092	8.5
69.51505	3.0
70.06593	44.4
72.08160	10.6
74.06078	2.3
75.05590	4.7
79.05482	4.5
83.06088	5.4
84.04504	9.8
84.08151	17.8
85.02898	2.6
85.04824	1.6
85.08448	1.7
86.09708	81.6
87.05604	11.8
87.10056	3.3
88.03998	2.1
91.05471	5.5
93.04522	3.0
93.07023	1.8
95.04942	3.6
95.06061	3.1
98.06050	1.6
98.09701	4.7
98.21526	2.9
99.05569	3.1
101.07137	3.3
102.05576	2.9
103.05465	5.6
104.10720	5.7
105.06380	2.6
105.07033	28.4
106.07361	2.2
107.04963	23.8
110.07173	62.8
111.07484	1.9
112.08746	1.4
115.05004	15.1
117.06992	2.6
119.08498	1.4
120.08108	11.3
122.07172	8.1
127.05056	7.6
129.10234	10.0
130.05031	1.7
133.06497	100.0
133.36540	1.5
134.06905	2.0
136.07562	4.4
137.55620	1.4
138.02391	1.4
143.11835	8.0
145.06506	7.1
149.05933	1.4
150.06618	4.4
155.11784	5.0
156.07675	2.3
157.06494	5.6
161.05762	1.8
165.07732	1.4
167.09253	4.3
171.11230	1.9
172.07190	4.7
183.11317	5.8
184.07333	8.6
189.07579	1.6
189.12758	1.4
195.08763	4.4
207.08807	1.9
234.09882	2.2
240.13455	3.5
251.10623	4.1
252.11020	1.8
258.16147	1.6
297.15497	1.6
299.12650	3.2
309.13174	2.0
314.18207	2.2
333.83649	1.7
340.16708	1.7
354.17780	2.9
355.17578	2.1
396.70593	2.0
480.19196	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	496.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14933	2.0
55.01886	1.9
55.05513	3.6
56.05028	4.0
57.75738	2.2
58.23563	2.2
60.04528	3.5
60.08158	2.7
69.07059	3.8
69.93941	3.7
69.94345	7.2
70.06593	70.6
71.04978	2.1
72.08148	23.8
74.06081	2.0
79.05482	3.7
84.04514	12.3
84.08145	17.7
85.02904	10.2
86.09703	45.8
87.05582	5.6
88.03945	2.8
91.05486	8.7
95.04950	3.1
98.21455	4.4
102.05578	2.8
103.05467	6.6
104.10748	6.3
105.07034	31.2
107.04955	58.3
108.05318	2.3
110.07173	28.4
117.07034	2.8
119.04942	2.2
119.68655	2.0
120.08105	10.9
121.06534	5.1
122.07148	2.4
126.05558	2.5
127.04021	2.1
127.05024	4.5
129.06937	3.4
129.10258	9.4
131.04889	10.1
133.06493	100.0
136.06209	3.9
136.07553	4.4
143.11755	6.0
145.06511	21.6
149.06001	3.4
156.07683	2.9
157.06508	9.7
166.34328	2.2
167.09346	2.7
169.09724	2.2
169.13380	3.1
171.11304	2.5
173.12843	3.0
183.11272	3.8
184.07275	5.9
220.11844	3.3
240.13472	2.5
251.10695	11.9
263.10623	2.8
281.11816	5.8
355.17407	2.7
452.25601	3.1
496.18085	4.4
509.06702	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	496.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
56.98898	1.7
57.03453	2.9
61.02933	2.8
66.55501	1.9
69.03438	9.9
69.72013	11.1
70.06592	37.2
72.08154	12.3
73.02895	2.2
74.06067	2.1
75.64690	1.8
79.05481	5.4
79.91916	1.9
81.03431	5.7
81.07041	2.1
84.04507	6.4
84.08144	18.6
85.02909	30.1
86.06039	3.2
86.09716	21.3
90.46902	1.8
91.05478	6.3
95.04954	4.1
97.02915	10.1
98.20780	4.1
99.04459	4.2
102.28931	1.9
103.03973	3.1
103.05465	8.1
104.10765	3.7
105.07027	25.5
107.04951	100.0
109.02890	5.3
110.07161	8.0
115.05460	3.3
117.07040	6.6
119.04930	2.9
120.08054	9.7
121.02861	7.1
121.06499	6.1
122.91495	1.8
124.44336	2.3
127.03909	8.1
129.06975	7.5
129.10246	7.2
130.05014	3.9
131.04938	16.3
132.05721	5.4
133.06491	80.4
135.98413	2.6
136.06197	4.7
136.07611	3.8
145.04977	6.9
145.06490	42.1
149.06004	7.4
157.06494	17.0
159.08020	2.9
160.07518	2.3
163.07481	4.3
169.06436	3.0
171.07988	2.2
172.07521	3.1
175.07588	3.9
184.07333	9.1
187.07613	3.2
218.63362	2.8
219.96770	2.1
235.89482	2.2
237.09196	2.9
251.10616	18.3
263.10641	6.9
266.51004	2.3
281.11731	10.3
295.44977	2.2
299.12802	2.7
355.17432	2.0
467.10065	2.3
480.37592	2.4
496.24017	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	496.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18322	1.9
55.05503	4.3
56.05013	8.4
60.04519	5.1
67.05483	2.7
68.05016	3.1
69.03415	3.3
70.06591	61.7
71.06914	2.8
71.58030	2.8
72.08148	17.4
74.06063	3.3
79.05484	5.5
82.06516	1.8
83.06079	3.4
84.04499	14.9
84.08141	35.0
85.02892	8.2
85.08473	4.1
86.06057	3.0
86.09698	24.2
87.05579	3.9
88.03975	3.5
91.05480	5.7
95.06089	3.0
96.08086	2.4
97.02886	2.9
98.06071	3.5
101.07146	3.1
101.10783	2.2
102.05534	4.7
103.05467	5.6
104.10722	6.9
105.07042	27.9
107.04949	30.8
110.07153	17.0
112.08757	2.1
115.08758	2.0
116.07074	3.1
120.08106	23.6
121.08430	2.2
127.04985	2.9
129.06943	2.1
129.10226	21.9
130.05017	2.9
131.04933	5.7
132.05600	2.0
132.10318	1.9
133.06483	100.0
136.07562	8.5
139.08655	1.9
140.08125	2.1
141.06563	2.1
141.10217	2.2
145.06444	8.5
149.06004	3.1
153.17220	1.9
157.06441	6.1
173.37650	1.8
184.07373	9.9
187.99701	2.4
221.20755	2.0
237.16391	2.1
251.10506	3.9
263.10672	3.0
342.17130	3.8
458.41867	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43923	0.3
53.03934	1.1
53.33531	0.3
55.01876	0.5
56.05027	0.8
60.04519	1.3
63.50279	0.4
68.00772	0.4
68.75806	0.3
70.06593	6.6
71.33400	0.3
71.57455	0.5
72.08143	1.3
74.06076	0.9
76.02225	0.7
79.05506	1.2
84.04495	1.3
84.08141	4.7
85.02918	0.6
86.09687	2.3
91.05469	0.8
95.04955	1.3
95.06116	0.3
97.02865	0.6
98.97591	0.5
101.07061	0.6
102.05496	0.4
105.04546	0.5
105.07047	0.7
107.04952	100.0
108.05287	1.2
110.07175	2.2
110.07961	0.4
116.98586	0.4
120.08083	2.0
121.02847	1.5
122.02729	4.0
127.03262	0.9
129.10257	2.6
130.05026	0.5
133.06497	2.1
136.07547	0.9
163.45891	0.4
166.08324	0.4
228.06877	4.9
237.02815	0.4
272.86307	0.4
306.28732	0.4
390.12109	2.1
452.25784	1.8
477.57297	0.5
495.77335	0.5
496.25095	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.1
56.05036	10.2
58.66205	1.1
60.04526	2.0
60.05633	1.3
60.08152	1.4
61.01140	4.2
68.05019	1.8
69.03421	2.2
70.06594	48.9
70.28694	4.0
71.06917	1.2
72.08159	12.4
74.06068	3.9
79.05488	4.4
83.06134	2.4
84.04502	14.0
84.08144	21.6
85.02914	5.8
85.04880	1.1
86.09709	16.0
87.05585	2.4
87.10059	1.3
88.03984	3.5
91.05492	3.3
95.04974	3.8
95.06065	2.4
96.08163	1.3
98.06066	4.9
98.20812	1.4
101.07147	3.8
102.05541	3.5
103.05470	4.6
104.05310	7.8
104.10755	2.0
105.05707	1.1
105.07035	25.1
107.04952	31.8
110.07178	8.4
112.08713	3.7
113.07143	2.4
115.05513	1.7
115.08694	3.1
116.07076	2.0
117.07039	1.6
119.04961	1.3
120.08118	9.4
121.06508	2.3
123.04408	3.8
129.06908	2.5
129.10236	11.0
130.04999	1.2
131.04933	5.5
131.08527	2.4
133.06494	100.0
134.06889	1.6
136.07579	6.1
141.85252	1.2
145.06479	9.8
146.06308	3.1
155.08165	1.5
157.06496	6.1
159.08026	8.2
159.09157	2.0
167.08195	1.6
174.05817	1.6
175.11957	4.2
184.07309	3.9
187.07445	1.5
251.10672	4.9
263.10547	2.5
281.11725	2.4
338.63287	1.2
342.69727	1.3
344.07446	1.2
351.20892	1.8
351.70663	3.5
353.00052	1.4
466.22134	1.4
478.26758	1.4
495.74796	13.1
496.24731	5.3
496.75327	1.6
518.79199	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	11.8
55.01864	14.2
55.05513	30.7
57.03432	49.2
57.07074	7.7
61.02928	62.2
65.03941	6.9
67.05169	8.0
67.05506	78.4
69.03431	51.5
69.07058	29.5
69.24053	3.8
69.85390	17.1
70.06582	13.4
71.01331	9.8
71.04975	10.7
71.08604	4.2
73.02909	38.0
77.03945	4.5
77.83176	4.5
79.05493	91.0
81.03420	33.7
81.07053	85.8
83.04982	14.2
83.08617	15.1
85.02901	74.0
87.04456	4.4
91.03959	32.6
91.05475	100.0
93.07048	88.9
95.04948	22.6
95.08601	54.9
97.02888	50.4
97.06553	11.6
97.10178	8.4
99.04460	11.5
101.02361	4.5
103.03951	10.7
105.07035	91.1
107.04942	15.0
107.08594	53.6
109.02871	9.8
109.06537	11.0
109.10163	22.1
111.04436	7.8
111.08115	4.3
115.05464	7.5
116.06257	4.2
117.07018	52.6
119.08594	70.1
121.06501	12.3
121.10156	38.2
123.08040	7.3
125.09614	5.4
127.03927	16.7
128.06184	8.5
129.05505	9.1
129.07016	33.5
131.04901	4.1
131.08572	64.3
133.06483	9.2
133.10139	54.4
134.61670	3.9
135.08052	10.8
135.11676	28.5
137.09612	7.5
141.06966	11.6
142.07822	5.9
143.08559	37.7
144.09264	3.8
145.04977	4.6
145.06485	11.6
145.10138	67.4
147.08058	16.6
147.11687	37.3
149.09598	11.6
149.13257	17.2
154.07695	4.0
155.08543	14.7
157.06485	9.2
157.10150	38.6
159.08037	7.5
159.11682	37.5
161.09645	8.1
161.13223	29.8
163.14780	5.2
165.07043	5.8
166.07893	4.5
167.08548	8.4
169.10127	18.8
171.08040	4.9
171.11685	29.0
171.26376	3.7
173.09618	6.6
173.13287	32.3
175.11232	6.8
175.14886	11.4
177.12694	5.4
181.09958	5.8
183.11690	14.8
185.09641	6.8
185.13300	26.1
187.11177	5.9
187.14809	12.0
189.12834	4.5
195.11667	10.2
197.13324	5.8
199.11179	8.1
199.14792	9.8
201.12782	8.8
202.08742	4.1
209.13257	7.8
211.14842	6.2
213.12866	4.5
223.14885	5.8
227.14214	4.6
231.17392	4.6
236.88344	4.6
239.18082	4.4
241.19585	11.9
253.19577	5.9
257.18964	8.9
259.20569	25.6
271.20554	9.4
271.39014	3.9
273.15363	4.2
273.18533	6.1
273.21933	6.6
277.21704	5.4
283.20508	4.7
301.21619	19.4
313.21570	12.1
315.23080	9.5
325.21555	9.6
331.22757	9.5
333.24225	43.7
339.23151	6.2
343.22479	6.9
345.24283	8.0
349.21591	9.1
357.24176	6.2
361.23688	11.0
363.24902	5.1
367.22501	20.6
375.25201	18.3
385.23706	12.5
403.24744	9.2
405.25919	5.3
417.26282	8.9
429.26401	13.5
441.26410	41.9
459.27521	27.4
477.28781	31.1
495.24869	30.1
495.30020	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	495.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.6
55.01871	14.4
55.05507	33.2
56.96551	1.7
57.03432	11.1
57.07058	5.6
59.86229	1.4
60.12324	1.5
62.10218	1.4
65.03929	3.1
67.05500	100.0
69.03423	6.1
69.07063	22.6
70.22480	6.7
71.01350	2.2
71.04999	10.6
71.08629	1.6
73.02913	2.9
79.05052	3.0
79.05489	44.1
81.03405	13.8
81.07052	75.9
83.04977	13.4
83.08613	17.6
85.02902	9.4
85.06528	6.4
87.04450	2.5
91.04891	1.7
91.05475	36.3
93.07039	43.9
95.04962	13.0
95.08599	28.2
97.02924	2.8
97.06523	12.6
97.10164	10.6
99.04466	1.4
99.08053	2.5
103.03958	1.8
105.07022	18.9
107.04964	5.9
107.08587	26.8
108.17627	1.4
109.06506	7.2
109.10153	35.7
111.04430	3.5
111.08076	9.4
111.43370	1.5
115.05429	1.8
117.07000	8.5
119.08580	17.3
121.06503	4.0
121.10123	15.6
123.08054	4.4
123.11701	7.5
125.09625	8.2
129.06987	5.0
131.08546	11.0
133.10132	11.8
135.08023	3.5
135.11671	10.6
137.09604	3.3
143.08473	1.7
143.10683	2.5
145.06473	1.8
145.10089	8.0
147.11681	11.1
149.09604	4.3
149.13277	12.7
151.11157	2.3
153.12778	2.6
157.10054	2.1
158.97612	10.9
159.11690	5.4
163.11176	6.2
165.12723	2.7
171.06537	4.7
171.11774	1.9
173.11783	8.5
175.11247	3.0
177.12674	1.8
181.12207	2.7
183.13724	2.1
185.08084	3.3
191.10539	2.2
193.12238	4.5
195.13771	7.1
199.09605	2.9
202.05087	1.5
209.11746	4.1
210.12456	1.4
211.13228	3.5
213.14867	1.7
227.12755	6.8
241.00415	1.9
241.14014	1.6
255.15805	3.1
267.15936	6.0
269.17563	3.2
283.15469	7.7
295.19077	3.3
297.17154	1.8
339.21695	1.7
423.27414	10.2
477.28189	4.5
495.29453	42.5
496.09433	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.8
54.62463	1.7
55.01868	16.5
55.05510	36.3
55.18640	1.7
56.39950	1.7
56.96550	5.8
57.03437	28.4
57.07061	5.6
61.02926	39.1
65.03927	4.5
67.05502	62.9
68.99767	2.1
69.03428	46.0
69.06776	2.4
69.07069	26.5
70.04086	13.5
70.06575	3.6
70.09460	10.5
71.01340	6.0
71.04994	15.2
73.02915	22.9
76.95756	1.9
79.05490	61.9
81.03417	36.9
81.07053	71.5
82.03754	2.1
83.04991	11.5
83.08611	20.2
84.08150	2.5
85.02901	100.0
85.06533	5.9
85.42413	1.9
86.03214	7.5
87.00841	19.4
87.03342	3.0
87.04468	4.2
88.01176	2.4
89.06009	2.8
91.03956	23.4
91.05477	62.0
93.07039	64.0
95.04964	20.3
95.08609	41.8
97.02892	45.7
97.06531	12.0
97.10168	6.2
98.03246	2.3
98.97594	2.9
99.04427	13.1
99.08067	3.9
101.02370	5.7
103.03928	6.3
103.05483	3.3
105.01859	44.5
105.07032	59.5
106.02177	4.9
107.04957	12.7
107.08595	34.8
109.02895	19.4
109.06487	8.6
109.10142	20.3
110.03201	3.1
111.04414	4.6
111.08080	4.1
113.06000	3.3
115.03894	2.7
115.05443	3.6
116.81596	1.8
116.98615	1.9
117.06996	25.6
119.04962	3.2
119.08578	43.2
121.06487	8.5
121.10121	25.5
123.08041	7.1
123.11700	4.9
125.05947	2.7
125.09638	4.9
127.03915	49.8
128.04256	8.9
128.06197	4.3
129.05475	5.4
129.07004	21.7
131.08563	31.6
133.06476	6.2
133.08592	2.8
133.10127	28.9
135.08032	8.8
135.11697	19.9
137.09610	4.2
141.06995	8.4
142.07774	4.9
143.08546	11.5
145.04953	18.7
145.06442	5.6
145.10118	33.0
146.05275	4.2
147.08073	5.7
147.11679	19.0
149.09613	8.4
149.13237	13.4
150.96710	1.9
151.11168	4.1
154.07764	2.3
155.07324	2.0
155.08545	8.8
156.09290	2.6
157.06480	2.0
157.10112	17.5
159.02914	5.7
159.08049	6.7
159.11702	21.1
161.09605	4.9
161.13275	12.4
163.11209	8.2
163.14803	4.5
165.12744	3.7
167.08545	4.8
169.10104	10.0
171.08023	6.2
171.11713	13.9
173.09602	6.6
173.11934	2.5
173.13231	12.5
175.11157	6.8
175.14844	5.0
177.12796	2.4
181.10139	4.4
181.12154	4.6
183.06490	3.3
183.08002	3.7
183.11708	7.3
185.09608	4.9
185.13257	10.8
187.11113	3.7
187.14812	4.5
189.03979	3.6
189.11177	2.4
189.12727	3.2
191.10667	4.4
193.12219	6.1
195.11716	3.4
195.13808	2.3
197.09596	3.4
197.13266	6.4
199.11162	3.4
199.14806	5.0
209.11606	3.7
211.11418	3.4
211.13213	4.0
211.15041	3.2
213.12753	2.6
215.14380	3.5
217.12326	2.8
217.15834	2.2
223.14911	2.2
227.12718	7.5
229.19531	2.5
231.04927	12.1
231.21153	2.9
232.05310	4.5
233.15344	4.0
241.19505	7.7
243.09218	2.6
252.13440	18.7
257.19043	4.5
259.20560	10.0
267.08954	3.0
267.15866	3.7
269.10510	3.1
270.14478	21.8
271.20377	4.2
273.18420	2.7
275.20139	3.9
277.21808	3.0
283.04535	3.1
283.15384	4.9
285.10229	3.4
299.19989	2.5
301.21594	6.4
313.21515	3.1
316.11481	2.2
320.90472	2.7
321.21854	2.9
325.21561	6.7
333.24225	23.2
339.23090	4.1
343.22662	3.0
345.24261	2.8
349.16815	3.7
349.21378	3.5
351.25504	2.4
357.24188	2.7
361.23584	3.0
363.25262	3.7
365.15393	3.4
367.22647	13.6
369.23749	2.5
375.25241	6.7
385.23621	7.1
387.25009	4.5
403.24655	8.7
405.26276	2.5
417.26373	3.8
429.26358	4.6
441.26419	17.8
459.27362	17.1
477.28595	22.7
490.05630	2.1
495.30212	43.5
513.19830	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.2
55.01874	12.9
55.05511	34.2
56.96560	8.7
57.03431	28.0
57.07062	4.9
59.04995	3.5
61.02924	34.7
63.01534	3.1
65.03953	4.9
67.05164	5.9
67.05503	84.1
69.03427	37.6
69.07067	32.5
71.01340	7.9
71.04989	9.3
73.02913	25.9
79.05492	72.3
81.03417	37.6
81.07056	71.8
83.04983	14.4
83.08605	20.3
85.02898	60.6
85.06544	5.8
87.00825	3.3
87.04470	4.4
91.03963	20.9
91.05481	84.5
93.07043	73.1
95.04976	22.5
95.08607	43.9
97.02877	35.7
97.06536	10.1
97.10181	7.3
98.97565	3.4
99.04462	6.7
101.02396	4.3
103.03906	4.3
103.05469	5.0
105.01886	7.0
105.07026	71.5
107.04953	23.7
107.08582	39.4
109.02906	8.8
109.06520	17.6
109.10155	18.9
111.04458	6.9
111.08085	6.4
115.03938	4.8
115.05471	6.6
116.98617	3.7
117.07022	47.5
119.08575	64.7
121.06518	15.3
121.10137	37.2
123.08040	6.6
123.11709	4.7
125.09615	4.5
127.03915	16.2
128.06223	8.0
128.98642	5.3
129.05501	7.0
129.06998	36.6
131.08569	69.3
133.06490	12.0
133.10117	41.1
135.08060	11.3
135.11688	21.3
137.05998	6.6
141.07010	12.5
142.07774	3.7
143.08542	33.8
145.04948	7.7
145.06488	10.9
145.10118	43.7
147.08061	11.5
147.11674	26.6
149.09637	10.1
149.13303	10.5
153.09099	3.3
154.07904	3.5
155.08566	23.8
157.06491	7.0
157.10133	32.8
159.08041	15.6
159.11684	33.8
161.09593	8.1
161.13301	14.1
163.11223	4.8
165.06967	5.5
167.08524	7.9
169.10068	18.1
170.41476	3.4
171.08086	8.0
171.11702	23.1
173.09668	11.5
173.13277	21.5
175.11226	6.4
175.14896	9.2
177.12823	4.2
181.10089	6.8
181.95667	3.2
182.10942	3.4
183.11719	16.0
185.09528	6.3
185.13260	19.7
187.11134	7.7
187.14825	9.6
189.12759	5.2
193.10144	4.4
193.12285	4.5
195.11728	7.1
195.13774	3.6
197.09679	7.4
197.13301	10.0
199.11240	9.3
199.14920	10.1
201.12791	6.3
203.14224	4.5
205.15887	4.5
207.11655	4.6
209.09570	5.1
209.13322	7.9
211.11182	3.9
211.14841	8.5
213.12817	4.2
215.14378	5.6
216.72630	3.5
225.12950	4.8
225.16441	4.0
239.18021	4.1
241.19565	6.0
255.21219	3.7
257.18970	8.3
259.20627	9.5
269.19040	4.4
271.20523	6.1
273.22104	6.3
275.20084	5.8
283.20422	4.3
285.10352	3.9
285.22134	7.7
287.19934	4.5
289.21585	4.6
291.19305	3.5
297.22293	5.7
301.21674	11.1
313.21725	7.8
316.11871	3.6
321.22278	4.4
325.21625	11.3
331.22772	5.8
333.24249	20.9
337.21622	4.7
339.23224	7.5
343.22638	8.2
345.24301	5.2
349.21432	7.9
357.24133	5.5
361.23694	11.5
363.25186	8.0
367.22540	21.1
375.25220	15.2
385.23679	19.5
387.25351	5.3
399.25281	4.6
403.24707	12.6
417.26373	11.8
429.26181	15.3
441.26389	38.3
459.27411	34.4
477.28537	38.0
495.29636	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	12.9
55.01854	10.3
55.05510	36.6
55.05756	5.5
56.96573	5.1
57.03232	3.2
57.03434	35.5
57.07062	6.5
61.02923	70.0
65.03930	7.9
67.05162	6.5
67.05497	86.7
69.03422	45.3
69.07058	37.5
70.03204	14.4
71.01345	11.2
71.04977	9.6
73.02911	40.3
78.14899	3.4
79.05484	90.5
81.03413	31.5
81.07050	87.1
81.59355	3.4
83.04972	13.9
83.08616	15.4
85.02895	60.7
85.06541	6.6
87.04462	4.4
91.03956	35.4
91.05473	94.3
93.07036	100.0
95.04965	22.9
95.08595	45.8
97.02888	55.2
97.06502	13.3
97.10146	8.4
98.20763	4.0
99.04436	11.5
101.02362	8.3
103.03919	10.5
105.07023	83.0
107.04951	27.3
107.08589	56.4
109.02859	12.4
109.06493	16.6
109.10127	22.4
111.04425	9.1
111.08079	4.7
115.03953	5.0
115.05435	5.5
117.05511	5.9
117.06990	40.7
119.08571	61.8
119.09361	6.8
121.06486	12.7
121.10134	44.6
123.08059	5.3
123.11678	9.7
125.09670	4.1
127.03894	14.0
129.05478	6.1
129.06998	28.6
130.96198	3.3
131.08560	61.4
133.06491	4.7
133.10109	54.6
135.08058	7.6
135.11674	29.9
137.09631	6.7
139.07562	4.0
141.06938	10.3
142.07761	6.1
143.08545	31.2
145.04935	5.1
145.06490	10.9
145.10107	49.3
147.08066	10.5
147.11676	36.6
149.09601	10.1
149.13245	15.5
153.06941	5.2
155.08543	16.0
157.10086	26.5
159.08060	10.6
159.11668	37.0
161.09607	10.9
161.13257	13.7
163.11223	9.1
163.14830	4.5
167.08549	9.2
169.10149	16.4
171.07999	5.2
171.11717	22.4
173.09590	9.8
173.11842	6.3
173.13219	25.1
175.11110	7.7
175.14815	3.6
177.12717	4.8
181.10088	8.3
183.07990	4.8
183.11670	11.2
185.07938	3.8
185.09554	6.4
185.13293	12.8
187.11165	7.1
187.14780	8.8
189.12704	5.8
195.11699	7.6
195.13771	5.1
197.09601	4.8
197.13225	7.7
199.11259	6.0
199.14867	7.2
201.12782	6.7
203.05969	3.6
207.11720	4.8
209.13466	5.4
211.11137	6.0
211.13057	3.9
213.12679	5.6
219.13969	3.8
221.13329	3.8
225.12599	3.7
241.19521	8.6
257.18936	7.9
259.20587	24.9
267.09222	8.0
271.20520	8.2
273.22037	5.8
275.20081	8.3
277.21707	5.5
283.17773	4.0
283.20609	4.1
285.10040	4.9
295.20416	3.6
301.21643	12.9
313.21545	7.8
315.23038	8.6
325.21649	11.0
331.22815	4.5
333.24258	43.9
339.23148	9.2
343.22629	6.1
345.24207	5.1
349.16946	7.6
349.21652	11.8
355.22540	4.7
356.15051	4.3
357.24283	6.4
361.23621	7.3
364.14188	4.9
367.22684	24.5
375.25159	8.4
385.23578	15.6
387.25153	7.2
399.25485	4.9
403.24753	10.5
417.26166	5.1
423.25162	5.1
424.80402	3.8
429.26239	8.4
441.26254	35.2
459.27411	26.5
477.28479	33.0
495.23529	4.5
495.29688	69.6
496.29938	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	495.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42195	4.4
53.03932	11.2
53.48988	4.3
53.71441	4.1
55.01866	12.0
55.05503	39.0
57.03429	40.6
57.07068	5.8
59.04967	5.4
61.02924	76.8
67.05494	57.4
69.03424	58.5
69.07069	23.1
70.85180	7.7
71.01330	10.2
71.04984	6.9
73.02908	45.7
79.05482	88.4
81.03420	25.2
81.07045	72.3
83.04968	13.8
83.08602	15.6
85.02420	7.1
85.02902	70.3
85.06533	7.1
87.04454	8.2
91.03947	41.7
91.05473	100.0
93.07034	94.3
95.04948	17.9
95.08602	52.4
97.02877	59.4
97.06499	6.1
99.04449	9.4
99.08102	5.2
100.19637	5.1
101.02346	10.9
105.07017	82.2
107.04965	7.0
107.08583	52.9
108.13784	3.9
108.14549	4.2
109.02876	10.0
109.06516	17.0
109.10124	18.0
111.04413	10.3
115.05420	11.1
117.07012	42.3
119.08567	79.2
121.10133	35.0
123.08067	8.0
127.03879	24.5
128.06200	6.2
129.05490	7.2
129.06972	32.5
131.08568	68.1
133.06453	10.3
133.10117	49.6
135.08072	7.4
135.11678	31.3
137.09633	6.9
141.06956	9.9
143.08531	27.7
144.09377	5.0
145.04892	7.3
145.06502	11.2
145.10097	51.8
147.07999	8.3
147.11674	35.7
149.09592	12.3
149.13261	15.6
155.08487	13.6
156.09288	4.5
157.10092	32.4
159.08116	10.9
159.11678	47.7
161.09650	10.9
161.13264	22.2
169.10147	14.8
171.11708	29.6
173.09593	5.7
173.13254	20.6
175.11180	10.7
175.14771	8.7
181.10097	14.3
183.08086	4.2
183.11702	16.4
185.09573	4.9
185.13260	18.6
187.11203	7.7
187.14836	11.6
195.11662	10.5
197.13245	6.9
199.11235	6.3
199.14841	10.6
201.12648	5.8
211.14816	5.3
213.16336	7.1
227.14246	5.5
241.19485	14.0
257.19016	6.6
259.20618	33.7
269.18832	5.1
271.20395	7.3
273.22021	4.8
277.21552	7.2
281.52625	4.7
283.20618	7.3
287.20105	8.1
295.20490	6.8
297.22055	5.2
299.20236	6.0
301.21613	18.2
301.29718	4.5
313.21744	10.8
315.23206	6.3
325.21783	11.9
331.22653	5.0
333.24158	54.1
337.21414	7.0
339.23190	8.0
343.22577	8.2
349.21445	5.4
361.23584	6.5
367.22665	24.1
375.25256	11.5
385.23611	13.0
387.25134	11.1
403.24875	14.9
417.26398	6.4
429.26483	14.6
441.26337	47.3
459.27512	29.2
477.28503	28.7
495.29520	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.2
55.01860	11.1
55.05510	31.6
56.96553	14.0
57.03432	31.4
57.07065	5.1
59.04975	4.2
61.02920	23.2
65.03947	5.3
66.83244	3.1
67.05166	5.3
67.05499	76.8
69.03421	23.7
69.07059	33.9
71.01353	4.4
71.04970	15.9
71.59716	3.6
73.02919	21.0
75.04452	4.4
79.05488	64.4
81.03413	29.3
81.07049	82.1
83.04963	15.0
83.08620	20.4
85.02898	38.5
85.06522	5.3
86.06071	3.8
91.03939	17.0
91.05481	59.5
93.07040	78.8
95.04972	21.3
95.08595	40.2
97.02880	34.3
97.06516	13.4
97.10170	9.5
98.97575	7.4
99.04442	7.6
101.02375	5.4
103.03942	6.1
105.07014	68.3
107.04938	15.0
107.08586	46.3
109.02847	5.3
109.06506	10.1
109.10167	18.4
111.04428	9.4
111.08036	6.5
115.05508	6.1
116.98643	3.1
117.07012	38.2
117.30746	3.1
119.08555	47.7
121.06490	10.8
121.10123	33.4
123.11692	5.7
125.09672	6.0
127.03929	7.5
128.06207	7.5
129.05519	3.9
129.06999	29.6
131.08577	47.1
133.06453	8.8
133.10123	36.8
135.08022	7.1
135.10762	4.4
135.11694	19.0
137.09589	5.1
137.41101	3.9
141.06949	8.5
142.07770	6.0
143.08530	25.9
145.04919	6.3
145.06491	9.8
145.10097	34.8
147.08034	9.0
147.11696	22.2
149.09618	6.8
149.13260	15.5
153.06990	4.5
154.07825	4.4
155.08568	15.4
157.06491	4.5
157.10135	26.5
158.99515	3.6
159.08070	7.6
159.11673	28.1
161.09650	7.7
161.13240	6.3
163.11156	11.6
163.14815	3.7
165.12733	3.5
167.08551	4.3
169.10146	12.9
171.08047	6.4
171.11661	16.4
173.09622	9.8
173.13223	19.2
175.11136	6.7
181.10118	4.9
183.11682	15.5
185.09628	6.3
185.13229	15.3
187.11128	8.4
187.14844	5.3
191.10646	5.2
193.10175	3.9
193.12314	4.8
195.11687	7.9
195.13788	6.6
197.13219	7.6
199.11150	5.6
199.14771	9.1
209.13332	4.2
213.12733	4.8
225.12721	4.5
227.12631	4.8
231.09001	4.3
237.12775	4.3
241.19591	7.4
253.19598	3.8
255.09065	4.7
259.20532	8.2
267.09067	11.4
267.15775	5.0
269.10596	14.3
271.20410	5.0
275.20093	3.9
283.20480	4.3
285.10223	22.0
287.11624	5.3
299.11829	4.3
301.21509	5.7
313.21609	9.4
315.10968	5.6
316.11646	12.6
324.11514	6.5
325.21582	8.5
327.22882	3.4
333.24155	13.7
339.23080	4.5
349.16891	4.1
349.21051	6.3
357.24240	4.2
361.23880	5.2
363.25232	8.6
367.18448	5.8
367.22421	19.9
375.25259	10.3
385.23694	14.9
387.25137	5.2
396.73441	3.5
399.25159	3.5
403.24927	10.8
417.26328	8.8
421.17993	6.9
421.25925	5.3
429.26376	13.0
437.19464	4.5
441.26395	27.9
456.75690	3.9
459.27289	27.1
477.28574	35.7
495.18048	3.7
495.29385	100.0
522.83759	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	494.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03826	2.7
55.05516	14.8
57.03419	4.5
57.07064	9.1
62.06084	28.6
67.05505	10.2
69.07059	21.1
71.59302	2.6
71.59763	4.0
81.07041	12.9
83.08608	13.7
93.07043	8.3
95.08620	16.0
97.10173	6.7
98.98477	10.3
107.08579	4.4
109.10155	4.0
121.10162	3.4
123.11709	3.0
155.01042	8.2
177.55894	3.2
184.07234	3.6
216.06401	3.6
242.50832	3.4
279.26718	5.3
322.31039	13.7
340.29068	4.7
353.30493	100.0
494.29898	9.1
495.24393	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	495.2847
Annotation	Ikarugamycin epoxide
Peak:m/z	Relative Intensity
55.05505	22.4
57.03436	57.5
57.07078	5.6
58.86541	5.6
59.04986	6.3
67.05504	59.9
69.03445	6.5
69.07064	18.9
70.06589	21.9
70.19456	5.7
70.24735	14.9
70.25125	13.7
71.34150	5.2
72.08143	5.0
73.37691	5.6
79.05493	53.0
79.18076	6.1
79.56762	5.7
81.03419	11.9
81.07050	39.3
83.08616	18.6
85.02924	8.7
85.06558	11.8
86.09695	18.6
91.05479	76.3
93.07050	61.1
94.76657	6.3
95.04977	12.4
95.08592	31.3
97.06538	7.2
97.10196	8.8
99.04454	6.7
105.07021	51.8
107.04955	22.3
107.08607	30.3
107.09220	5.9
109.06528	61.9
109.10167	11.7
109.46695	5.9
110.07173	7.5
117.07042	29.8
118.06529	7.9
119.08584	44.5
120.08079	6.0
121.06454	8.9
121.10139	15.2
123.08073	9.1
129.07008	38.5
129.10138	6.6
130.06544	43.0
131.08595	54.0
133.10123	21.4
135.08098	30.1
135.11664	8.6
143.08565	26.9
144.08102	30.9
145.10155	33.4
146.06015	16.7
147.08046	16.1
149.09645	11.3
149.13231	7.3
157.10164	29.9
159.08064	8.9
159.11726	17.3
161.09634	20.4
168.08101	13.6
169.10146	8.4
171.11748	10.9
172.11192	8.1
180.08064	24.2
181.08755	7.6
182.09724	10.4
183.11734	11.1
184.07399	13.8
188.07101	28.6
194.09691	11.5
199.11163	7.9
199.14832	23.5
200.10745	71.9
201.12695	6.9
203.05330	12.2
205.09665	7.4
206.09676	16.5
217.08836	13.5
217.15909	78.0
218.09627	15.4
219.17216	6.2
220.11185	13.8
230.09602	8.3
255.17403	14.5
273.18457	68.5
282.11380	6.8
286.18100	10.0
291.19601	76.3
315.19171	9.8
323.27545	12.0
333.19427	7.7
333.29138	7.2
380.18832	13.1
387.77988	6.3
397.21426	9.8
422.26810	12.0
429.57843	6.8
477.27869	6.8
478.25809	51.9
495.24881	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.8
56.05040	1.2
58.06604	1.7
60.08163	19.0
67.05503	2.0
69.07059	2.8
70.06593	1.0
71.07378	8.0
71.20493	1.4
79.05489	1.2
81.07048	2.7
81.51968	0.6
83.08619	1.1
86.09706	57.6
87.10069	0.9
93.07033	1.6
95.08588	1.8
98.98473	5.6
104.10744	100.0
105.11061	0.7
121.10116	0.8
125.00003	32.8
143.00999	0.8
147.10286	0.6
149.02361	1.8
160.21552	0.6
160.48578	0.6
184.07338	98.5
193.04959	2.2
211.84373	0.7
237.07550	1.3
251.13695	0.8
258.11102	1.2
284.29343	0.8
311.25800	1.6
318.05261	0.7
340.30911	0.7
417.23843	1.3
476.31320	8.0
494.32431	18.4
495.32431	0.7
519.31055	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41488	0.5
55.05499	2.0
56.05026	1.1
57.03417	0.8
58.06587	1.1
60.08163	14.7
63.73200	0.6
67.05495	3.3
69.07050	2.1
70.06550	0.8
71.07375	6.2
73.26456	0.5
75.55467	0.5
79.05492	1.7
81.07053	2.7
82.15141	0.5
83.08611	1.5
84.91586	0.6
85.56568	0.5
86.09705	49.3
88.07584	0.6
93.07034	2.0
95.08597	3.0
97.10146	1.0
98.98464	4.0
103.24816	0.6
104.10743	73.5
105.06998	0.9
109.10190	1.0
121.10129	1.3
125.00002	27.8
131.08540	1.2
149.02393	0.6
184.07338	100.0
185.07561	0.6
224.84384	0.6
232.45830	0.6
276.83237	0.6
311.25986	0.9
353.26950	1.4
455.98163	0.7
476.31699	6.5
494.32581	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	494.3239
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
53.15727	0.7
55.05502	1.5
56.05044	1.4
58.06584	1.0
60.07877	1.5
60.08162	17.6
67.05499	1.9
69.07050	2.1
69.46533	6.1
70.78439	0.7
71.07372	5.4
79.05500	1.3
81.07039	2.7
83.08622	1.3
85.54092	0.7
86.09707	49.9
93.07043	1.2
95.08553	1.0
97.10184	0.9
98.21512	1.4
98.98470	4.0
104.10744	98.4
105.11124	0.9
121.10165	1.3
125.00010	30.3
135.00537	0.8
184.07339	100.0
185.07672	0.8
199.00301	0.9
234.03445	0.9
258.11115	1.6
292.37469	0.9
311.25815	1.5
374.66803	0.9
381.04630	0.8
397.57169	0.9
458.20132	0.8
476.31537	7.2
494.32452	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24921	3.6
54.60643	3.1
55.05510	25.2
57.03440	6.8
57.07071	5.7
61.57874	3.4
62.06073	15.4
63.41412	3.4
65.03954	5.1
65.16012	3.1
67.05505	55.7
69.03432	3.7
69.07061	29.0
70.36059	3.8
71.08631	14.0
71.39696	2.9
79.05499	28.2
81.07059	55.1
83.04972	4.3
83.08603	12.6
84.75319	4.3
86.09681	3.6
91.05468	18.8
93.07051	25.3
95.04933	5.9
95.08611	46.5
97.06517	8.2
97.10188	8.7
98.98450	15.6
99.08108	11.0
105.07018	12.9
107.04899	4.4
107.08607	17.8
109.10155	25.6
111.08092	6.6
117.07032	3.3
119.08565	10.8
121.10149	11.4
123.11713	6.9
125.09598	6.4
127.83677	3.7
131.08562	11.2
133.10118	6.2
135.11684	12.8
137.09618	5.5
139.86307	3.4
145.10100	5.3
147.11684	8.1
149.13246	9.5
161.13274	4.8
163.11163	3.6
163.14780	3.8
173.13248	3.2
236.30782	3.4
243.21066	8.3
261.22171	17.7
279.23169	30.9
322.27438	8.4
335.25848	26.6
353.26855	100.0
382.95792	3.6
433.23413	7.0
446.93945	3.4
476.27615	4.6
494.27884	6.2
495.30099	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	494.324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.7
56.05026	0.7
57.07049	0.4
58.06596	0.5
60.08164	7.6
64.12513	0.3
67.05487	0.3
69.07062	0.5
69.85237	1.6
71.07363	2.7
81.07050	0.4
83.08571	0.6
86.09705	30.0
87.10061	0.4
91.43221	0.3
98.98460	2.7
103.16756	0.3
104.10724	2.7
113.65777	0.3
124.99998	20.1
143.01057	0.5
172.95232	0.5
184.07336	100.0
185.07703	0.9
193.04968	0.5
228.97818	0.3
311.25598	0.3
453.18329	0.4
471.18436	0.8
476.31314	1.1
494.33133	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.6
55.05509	12.5
57.03184	2.1
57.03436	20.4
57.07067	2.8
59.88936	1.4
62.89973	1.4
64.30265	1.4
66.94106	1.7
67.05222	1.8
67.05508	17.8
69.06722	1.9
69.07069	17.5
69.79726	1.5
71.59557	2.4
75.04487	12.0
79.05498	8.9
79.24699	1.8
81.07065	21.1
83.08602	8.2
85.01626	1.6
85.60993	1.5
86.09686	1.8
91.05481	5.7
93.07040	12.8
95.04991	1.8
95.08616	19.7
97.06476	2.8
97.10175	4.2
98.98455	5.2
103.03935	5.4
105.07001	2.6
107.04973	1.8
107.08595	5.9
107.13449	1.6
109.10148	7.3
121.10156	5.5
123.11692	2.5
131.08655	1.7
135.11736	4.5
143.48933	1.9
155.01102	2.1
173.02036	1.7
174.67009	1.5
181.72884	1.6
184.07428	2.2
221.19960	1.7
236.91724	1.6
261.22205	2.6
331.15576	1.9
353.26868	100.0
404.20483	1.8
487.58026	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.2
56.05037	0.5
57.03442	0.3
57.08204	0.2
58.06637	0.8
60.08163	6.3
67.05501	1.0
69.62206	1.3
70.06594	0.3
71.07373	3.2
72.08184	0.3
79.02390	0.2
79.05491	0.5
81.07054	0.8
81.07510	0.2
84.08148	0.3
86.09705	33.1
87.10028	0.2
91.05468	0.5
93.07045	0.3
95.08599	0.6
98.98466	3.1
104.10735	3.7
105.07059	0.2
107.04925	0.4
107.19500	0.2
107.33118	0.2
107.95811	0.2
120.08085	0.4
125.00002	21.9
143.01045	0.3
184.07336	100.0
185.07649	0.7
302.36014	0.2
311.21851	0.2
365.18176	0.2
476.27518	1.0
492.59787	0.2
494.28818	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16898	0.4
55.05504	0.7
56.05025	1.4
58.06595	1.2
60.08163	15.6
67.05505	3.4
69.07043	1.0
70.06590	1.2
71.07375	6.5
71.39877	1.0
79.05483	2.2
81.07053	2.9
83.08598	0.7
84.08148	0.9
86.09705	54.9
91.05471	1.8
93.07050	1.3
95.08582	2.4
97.06543	0.6
98.98454	4.3
104.10740	98.3
105.07027	1.0
107.08623	0.9
109.10151	0.9
118.97147	0.6
119.08535	0.6
121.10129	0.7
125.00002	29.8
133.09995	0.5
135.11644	0.6
170.51625	0.5
184.07338	100.0
200.50082	0.5
233.42262	0.5
258.11014	0.8
316.56403	0.6
367.17972	0.8
476.27707	7.7
494.28830	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	494.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.05510	5.2
57.03446	4.8
57.07055	1.2
62.06090	1.2
65.03954	1.2
67.05506	14.5
69.07076	6.3
70.06580	1.9
71.08633	32.0
71.58722	0.8
71.59158	1.5
72.00014	0.9
77.75411	0.9
79.05494	7.2
81.07057	18.5
83.04967	1.4
83.08620	4.5
85.06520	1.2
86.09669	0.8
89.77056	1.0
91.05489	9.5
93.07040	6.5
93.07551	1.0
95.04947	1.5
95.08610	16.0
97.06519	2.0
97.10162	2.1
98.98445	2.5
99.08086	25.5
105.07027	7.9
106.00633	1.0
107.08587	5.4
109.06461	1.1
109.10170	5.1
117.07052	0.9
119.08570	4.9
121.10135	4.6
123.11704	2.5
125.09633	1.0
127.11212	2.3
131.08546	3.5
133.10085	1.6
135.11697	3.3
145.10126	4.1
147.11694	18.5
149.13243	1.6
153.12700	1.3
159.11588	2.2
161.13289	1.4
163.11269	2.1
163.14803	3.2
165.12727	5.8
167.14299	1.6
170.22769	0.9
173.13181	3.1
181.15858	1.5
184.07314	2.2
187.14824	1.0
194.81905	0.9
206.94655	0.9
216.06313	1.8
230.84354	0.9
233.22501	1.4
243.20930	5.1
261.22086	5.3
279.23190	23.2
322.27448	4.9
353.26865	100.0
354.27310	1.9
398.81189	0.9
494.40628	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.1
55.05501	6.2
56.05025	9.7
57.03416	11.2
60.04510	6.7
60.08147	11.6
61.02904	3.8
65.94072	4.0
67.05504	12.1
69.03439	37.2
70.06588	64.5
71.01334	7.2
71.04980	6.1
71.06895	4.2
71.07345	5.6
72.08153	22.4
74.06049	5.0
79.05497	5.8
81.03410	14.4
81.07040	11.0
83.04979	5.4
83.08617	4.5
83.87920	4.1
84.04488	17.6
84.08140	31.7
85.02917	12.0
86.09216	7.2
86.09704	96.4
87.10058	4.2
89.40787	4.3
91.05475	4.4
93.07015	4.4
95.04958	3.5
98.98503	4.3
99.04449	41.9
103.03958	18.2
104.10750	54.4
107.04939	12.4
109.02875	6.2
110.07150	19.3
116.98749	3.3
117.05502	8.7
120.08113	21.1
125.00030	19.6
127.03949	24.7
129.10254	16.6
135.06548	8.3
136.07538	4.7
137.06041	4.0
145.07597	11.5
147.09184	31.4
147.81641	3.8
158.92494	4.2
159.06499	17.5
159.09145	15.0
166.67973	3.9
184.07361	60.9
185.10782	28.8
187.69102	4.5
189.10349	4.2
191.08156	100.0
197.10840	4.9
199.12279	8.4
202.01550	4.5
216.07718	12.0
227.13734	4.0
243.08656	4.7
245.12749	7.7
289.11874	6.4
305.15039	25.6
306.14944	5.4
307.12967	36.5
345.18268	4.7
350.13477	25.1
396.61292	5.1
476.24188	4.3
494.17761	71.2
494.24719	10.7
495.17920	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	494.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21464	0.3
55.05490	0.5
56.05024	1.3
58.06594	0.7
60.04507	0.5
60.08158	7.3
67.05479	0.8
69.07054	0.6
70.06586	7.5
70.09745	1.3
71.06955	0.5
71.07368	2.9
72.08147	2.3
72.61497	0.3
72.94681	0.3
76.02222	0.4
79.05470	0.5
81.03379	0.5
81.07043	0.7
83.06128	0.4
84.04504	2.2
84.08143	3.4
85.02882	0.4
86.09702	38.4
87.10033	0.5
87.83042	0.3
88.04007	0.5
91.05456	1.0
91.36782	0.3
93.07053	0.8
95.04975	0.5
98.06055	0.4
98.21464	0.4
98.98455	3.3
99.50989	0.3
102.05522	0.5
104.10740	10.1
106.75863	0.3
107.04957	2.4
107.08550	0.5
110.07151	1.6
112.08699	0.4
120.08069	1.8
124.99997	21.8
129.10219	2.4
130.05008	0.7
130.08556	0.4
131.04869	0.5
136.07568	0.7
143.01070	0.5
145.06186	0.7
168.77435	0.4
184.07330	100.0
185.07643	1.0
225.09039	0.4
237.09062	0.3
240.77541	0.4
267.10159	0.5
283.12616	0.4
447.15546	0.5
451.19446	0.4
459.15686	1.1
476.24063	1.4
494.24911	3.1
495.18256	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2383
Annotation	ryanodine
Peak:m/z	Relative Intensity
51.02367	0.6
53.03942	1.2
55.01873	0.9
55.05498	1.1
57.03429	0.5
61.02913	0.8
67.05511	1.4
69.03437	0.5
69.07062	0.5
70.06561	0.3
71.53509	0.4
74.16298	0.2
79.05489	3.0
80.05022	4.1
81.03400	1.4
81.07046	1.1
82.06573	0.3
83.04978	0.3
83.08641	0.4
85.02900	0.6
91.03921	0.3
91.05466	0.8
93.05767	0.3
93.07032	0.9
94.06567	7.7
95.04974	2.6
95.08607	0.6
97.02879	0.6
97.10139	0.4
105.04530	0.6
105.07010	0.6
106.06564	1.9
107.04953	100.0
108.05282	1.1
108.08133	1.3
109.10114	0.5
110.06053	0.5
111.04486	0.4
118.06536	0.8
120.08109	0.8
122.06010	0.7
125.02401	0.5
130.06552	0.3
132.08049	0.4
133.06493	0.3
134.06038	0.6
136.07649	0.6
146.06017	0.7
148.07571	1.5
149.08424	0.3
152.07167	0.3
160.07564	0.3
163.11234	0.4
164.07002	0.3
174.12715	0.3
176.14320	0.7
186.12808	0.4
188.06956	0.3
192.13878	1.8
193.12334	0.2
204.13875	0.9
210.14893	1.0
218.15359	0.7
222.07753	0.4
222.14871	2.2
224.16570	0.3
227.12775	0.4
230.15445	0.7
234.15042	0.4
236.16466	0.9
240.08640	1.5
246.14944	0.5
248.16583	0.4
250.80458	0.3
258.09747	0.5
258.14859	0.5
260.16519	1.1
264.15952	0.8
270.14871	0.4
276.15887	0.8
277.16824	0.5
278.17685	0.4
288.15942	1.1
290.17740	0.5
306.16919	1.3
316.15405	0.5
332.08490	0.3
334.16690	0.7
352.17569	2.5
370.18610	5.6
388.19647	44.1
389.20154	0.6
400.19302	0.4
494.23761	35.3
495.24197	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88492	1.3
53.03934	2.2
53.35080	1.3
55.01862	3.4
55.05501	2.0
55.21025	1.4
56.05015	2.2
57.03424	6.1
58.82337	1.4
60.04514	3.4
61.02924	9.8
69.03430	14.6
69.73982	8.8
70.06594	34.9
72.08153	7.7
73.02923	2.8
76.02240	1.6
81.03425	7.2
84.04505	8.5
84.08137	14.5
85.02904	100.0
86.09682	3.2
87.04469	3.2
91.03948	3.7
91.05481	2.0
97.02889	25.5
98.21444	1.5
99.04465	3.6
103.03955	1.7
107.04955	47.7
109.02867	8.1
110.07156	4.6
113.02447	1.7
120.08095	3.4
127.03921	19.0
129.10223	11.9
131.04892	1.8
133.06476	4.2
135.08038	13.7
136.07581	2.3
144.05704	1.6
145.03777	1.9
145.04956	35.9
145.06480	4.0
153.09123	3.8
153.33768	1.4
155.08488	2.1
157.06464	1.6
163.05969	9.0
165.09120	1.5
169.13342	1.9
171.08028	5.5
173.05959	9.9
173.09602	2.5
183.08040	4.9
185.05928	2.1
193.08612	4.6
199.07547	2.3
201.09091	9.3
203.06985	1.6
215.07014	2.1
219.10172	32.9
229.37036	1.5
243.10152	8.5
249.11391	3.4
261.11212	17.2
279.12442	2.0
344.08987	2.0
353.69379	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2048
Annotation	Pyronaamidine
Peak:m/z	Relative Intensity
53.00294	0.6
53.03948	2.9
55.01871	2.6
55.05507	5.9
57.03430	2.3
57.07071	20.1
57.16099	0.4
59.04991	0.8
61.02927	3.1
65.03947	0.7
66.13498	0.5
67.05500	3.7
68.05831	1.0
68.99792	1.1
69.03422	8.6
69.07061	73.9
70.04056	0.9
70.05164	2.1
70.06583	0.6
70.07447	0.6
70.07840	3.0
71.04981	2.0
71.05363	0.4
73.02907	2.2
79.05482	2.6
81.03410	10.2
81.07043	2.7
82.04053	2.0
83.04974	0.5
83.08607	10.3
84.05657	0.5
85.02894	27.9
85.06548	0.5
87.00822	10.5
87.04469	0.7
91.03963	1.4
91.05481	3.2
92.15830	0.5
93.07027	3.0
94.04188	0.6
94.07368	0.6
95.04959	1.9
95.08593	2.2
97.02881	14.6
97.03512	0.8
97.10120	0.7
98.03181	0.5
98.06044	0.5
99.00017	3.0
99.04436	4.4
99.09064	0.5
101.09603	0.6
103.03167	1.2
105.01852	16.1
105.02560	0.9
105.07018	1.0
107.04960	1.9
107.08607	1.7
109.02869	7.9
109.06515	0.7
109.10107	0.6
110.03558	1.4
110.07127	0.5
111.04474	1.2
112.84116	0.4
113.01575	1.8
115.03957	0.5
115.07532	2.9
117.01849	1.5
117.06990	0.6
119.08609	1.1
121.06539	1.1
121.10145	0.9
126.99452	7.4
127.00305	0.6
127.03090	1.0
127.03899	21.7
129.01013	12.2
129.01816	1.1
129.06996	0.9
131.08484	0.5
133.10121	0.8
135.11723	1.0
136.12038	0.6
139.00546	0.6
141.01006	13.5
141.05310	4.3
145.04947	12.1
145.10136	1.4
146.10390	0.7
154.06064	2.7
155.02567	6.4
159.02888	4.5
161.09639	1.0
163.11194	1.9
164.11497	1.0
172.12076	0.5
189.03955	0.7
190.09903	0.6
196.10808	0.6
197.07260	21.8
213.03986	1.0
217.18959	0.4
224.13863	1.0
227.12791	2.8
228.13138	1.4
231.04991	6.6
236.13718	0.6
249.06058	3.0
252.13425	6.8
270.14435	1.1
283.15302	1.5
292.13074	0.8
310.13913	6.7
315.14297	2.0
367.21075	3.1
476.19437	1.8
476.26941	0.7
494.20486	100.0
495.20609	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	494.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.6
55.01852	2.5
55.05501	6.2
56.89479	0.7
57.03421	1.8
57.07070	18.1
58.98501	0.6
59.05006	1.1
61.02911	1.9
63.27554	0.5
67.05494	4.2
69.03419	9.6
69.07060	73.8
70.07843	3.9
70.18549	2.2
71.04986	1.1
73.02893	3.2
79.05483	3.2
80.05818	0.7
81.03408	11.2
81.07056	3.1
82.04064	1.3
82.07369	0.7
83.04987	0.7
83.08612	12.2
85.02894	31.2
87.00813	12.5
91.03951	1.0
91.05465	2.5
93.07051	1.6
94.07369	0.7
95.04967	2.3
95.08590	2.3
96.05305	0.7
96.08939	1.0
97.02878	14.3
98.99999	3.0
99.04462	4.2
105.01173	1.3
105.01857	20.1
105.07013	1.2
107.04934	1.7
107.08598	1.2
109.02879	8.8
110.03522	1.1
111.04441	0.8
113.01546	1.6
115.07552	4.1
117.07086	0.9
119.08572	1.7
126.99451	6.8
127.02962	1.3
127.03899	23.9
129.01013	12.0
129.01900	1.6
133.10172	0.9
135.11653	1.3
141.01007	14.1
141.05305	4.4
145.04947	13.5
147.02774	0.7
147.11699	0.9
154.06088	2.3
155.02565	6.3
159.02884	4.3
163.11166	1.3
169.74640	0.8
181.12134	0.8
189.03958	0.8
197.07268	23.3
213.03934	1.1
224.14058	1.6
227.12828	2.3
228.13124	1.8
231.04973	8.0
249.06104	2.8
252.13394	6.8
270.14383	1.1
283.15369	1.1
297.03183	0.7
297.61411	0.7
310.13950	5.5
315.14188	3.0
345.54196	0.8
367.20978	3.0
382.71704	0.7
423.33945	0.6
476.19559	1.4
494.20483	100.0
495.20874	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	494.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.9
54.97744	1.0
55.01873	9.7
55.05507	9.3
56.96569	1.5
57.03435	10.2
57.07058	2.3
59.04999	2.2
61.02921	12.7
67.05502	5.7
67.17656	1.1
68.05833	1.4
68.99789	2.6
69.03422	33.6
69.07066	7.0
69.60565	1.3
70.06580	1.8
71.04984	4.7
71.11851	2.8
73.02913	8.3
74.92316	1.1
79.05485	5.0
81.03409	32.0
81.07056	4.5
82.03703	1.4
83.01291	1.1
83.04963	2.4
83.08614	20.9
85.02898	100.0
86.06058	2.4
87.00290	2.6
87.00825	37.7
87.04458	3.4
91.03938	6.7
91.05479	5.4
93.07034	5.1
95.04979	2.7
95.08623	4.0
97.02886	45.6
97.06540	1.8
98.06062	2.2
99.04446	13.7
101.09632	3.5
105.01855	59.1
105.06332	1.2
105.07036	4.1
107.04958	5.0
107.08591	3.3
108.04462	3.0
109.02865	31.9
109.03578	1.9
109.10164	2.1
112.51929	1.1
113.09632	1.5
115.03915	1.5
117.01826	3.5
119.08597	2.3
121.06510	1.8
121.10142	2.6
123.04341	1.2
125.09602	2.5
127.03907	80.8
129.01819	3.7
131.08591	2.1
133.10144	1.7
135.08104	1.0
135.11729	2.1
145.04955	43.6
147.02899	3.5
149.09624	1.4
159.02870	20.0
163.11122	1.5
178.72894	1.3
189.03976	2.3
191.10619	1.4
197.07281	1.5
209.11649	1.7
210.07445	1.4
213.03986	3.2
227.12782	2.5
231.04973	21.4
249.06003	9.0
323.71866	1.6
363.87183	1.7
416.07608	1.2
461.40054	1.2
493.75931	1.3
494.20605	3.6
494.27896	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.3
53.30582	0.9
55.01847	3.2
55.05512	7.1
56.79729	0.8
57.03427	2.1
57.06829	1.2
57.07076	18.5
61.02910	4.0
67.05500	7.6
68.99779	1.0
69.03422	11.8
69.07063	79.2
70.04079	1.2
70.07832	3.6
71.04992	2.3
71.42542	1.3
71.42873	1.2
73.02894	2.4
78.56945	0.8
79.05479	5.2
81.03419	10.8
81.07050	4.2
82.04070	2.1
82.07354	1.0
83.04979	1.5
83.08605	13.2
85.02898	26.7
85.06525	1.2
86.06075	1.3
87.00824	11.1
87.04448	1.4
91.03951	1.9
91.05474	3.2
93.07041	3.9
95.04974	2.4
95.08598	2.6
97.02894	15.5
97.06527	1.5
98.06068	1.4
99.00003	2.4
99.04449	3.8
101.02366	0.9
101.09652	1.1
102.54679	1.0
105.01862	19.5
105.07032	4.0
105.88858	0.9
107.04938	3.8
107.08600	2.8
109.02863	7.9
110.03519	1.3
113.01569	1.4
115.07555	3.4
119.08600	3.2
120.08931	0.8
121.06470	1.9
121.10104	1.4
126.99464	8.1
127.03912	25.5
129.01021	11.3
129.01843	0.8
131.08562	1.5
133.10115	1.7
135.11693	1.4
136.12000	0.9
141.01012	16.6
141.05345	5.7
145.04965	14.5
145.10101	1.6
147.02873	1.0
149.09532	1.1
154.06165	2.5
155.02567	6.8
156.51627	1.0
159.02875	4.5
163.11180	2.4
164.11562	1.6
185.61464	0.9
197.07280	20.9
197.08984	1.7
213.03926	1.4
224.14098	1.9
227.12805	2.4
228.13123	3.9
231.05017	8.1
249.06154	2.8
252.13406	7.1
265.01282	0.9
270.14578	1.2
283.15234	2.0
292.13159	0.9
310.13947	5.6
315.14243	2.9
367.21121	2.2
494.20517	100.0
495.20801	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27899	0.3
53.03945	3.3
55.01860	0.8
55.05493	1.3
56.05025	0.5
57.03435	2.4
59.05001	0.6
61.02907	0.4
69.03085	0.5
69.03430	8.2
69.49940	1.0
69.50349	2.3
70.06595	2.1
71.01352	0.8
71.04998	4.2
72.08125	0.4
73.02908	1.0
81.03420	9.1
83.04987	2.7
84.08131	1.3
85.02493	0.4
85.02909	4.3
86.09720	3.1
87.04447	0.4
91.05462	1.2
93.07044	0.4
93.33405	0.4
95.04957	0.4
97.02924	2.0
99.04457	18.9
99.05107	1.0
103.03310	0.6
103.03944	6.2
104.10752	0.5
109.02880	6.5
117.05486	4.4
118.06552	3.2
120.08092	0.8
124.99995	0.7
127.03922	8.5
129.10234	0.7
132.06921	0.5
132.08069	1.3
135.06511	1.0
145.05008	0.6
145.07605	10.9
146.08385	3.4
147.09172	27.5
157.07600	1.3
159.09171	19.3
160.09962	4.2
161.10718	1.1
171.09146	1.1
173.07121	1.2
173.10753	3.2
175.08670	4.4
182.08374	0.5
183.09248	0.7
184.07372	3.1
184.09991	1.4
185.10735	5.0
187.08679	3.7
187.12292	1.7
189.10239	4.9
190.09750	1.7
191.08157	100.0
192.08572	2.0
197.10733	3.8
199.08562	1.8
199.12326	5.3
200.09422	1.0
201.10223	1.6
203.08278	0.4
203.11816	1.4
213.10194	1.8
215.08197	1.5
215.11794	3.1
216.05580	0.9
216.07686	16.1
217.09679	0.7
217.13390	0.9
225.10280	2.4
227.11830	2.4
229.13321	2.3
231.11337	0.7
233.09334	0.6
233.12706	0.5
243.08737	1.0
243.11307	2.2
245.09184	2.2
245.12862	7.3
253.09703	1.2
259.10928	0.5
261.69769	0.4
263.13910	9.6
271.10776	5.8
272.11240	0.5
288.13541	0.7
289.11816	11.0
305.14993	2.8
306.14499	3.4
307.12875	41.1
308.13306	1.3
324.15598	2.4
332.12442	3.1
345.17999	3.3
347.15796	0.9
349.13840	0.9
350.13477	9.6
371.16031	0.9
388.18658	0.5
389.17087	15.8
391.15015	1.7
406.19690	2.6
407.18292	1.4
415.15033	6.0
432.17676	7.4
433.16061	7.7
434.15680	0.9
450.18750	4.4
451.12033	0.5
451.17120	25.4
476.16501	4.4
494.17685	56.1
495.17874	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1341
Annotation	Betuletol 3-glucoside
Peak:m/z	Relative Intensity
53.03930	0.8
55.01857	0.7
55.05497	1.0
57.03423	1.2
57.74830	0.2
61.02926	1.5
64.00880	0.2
64.08118	0.2
65.03908	0.4
67.05503	1.7
69.03427	3.3
69.07047	0.4
69.77944	1.3
70.06574	0.4
71.04975	0.8
73.02901	0.3
79.05492	1.6
81.03403	2.5
81.07051	1.7
83.04969	0.5
83.08601	0.6
84.08129	0.4
85.02901	8.6
86.09694	0.3
87.04452	0.6
91.03927	0.5
91.05465	2.0
92.02617	0.9
93.03405	0.8
93.07036	1.4
95.04510	0.2
95.04971	2.2
95.08590	0.7
97.02890	3.0
97.06527	0.3
97.10191	0.5
99.04414	0.6
105.07040	1.1
107.04952	3.4
107.08596	0.7
108.05296	0.7
109.02857	1.1
109.06526	0.3
109.10193	0.3
111.04429	0.4
115.05480	0.2
117.07037	0.7
117.73001	0.3
118.06541	0.7
119.08546	0.8
120.08055	0.4
121.02874	1.2
121.06502	0.8
121.10159	0.6
123.04432	0.6
125.09576	0.3
127.03945	1.8
131.08574	1.1
133.10143	0.7
135.11671	0.6
137.05969	0.9
140.04668	0.9
143.08527	0.3
144.08112	0.3
145.04932	1.1
145.06198	0.2
145.10123	0.8
146.05972	1.4
149.09659	0.5
151.03889	1.1
153.05460	0.8
157.08913	0.2
157.10162	0.4
159.11700	0.3
162.45546	0.3
163.11215	0.9
167.03392	10.6
173.09644	0.5
179.03333	0.4
184.03761	0.3
188.07082	0.6
189.11247	0.3
191.10683	0.4
193.12213	0.4
209.11755	0.5
215.07014	0.8
217.05008	0.9
223.13187	0.4
227.12767	0.3
231.04611	0.3
231.06462	1.4
232.07288	0.8
235.10757	0.3
242.05663	1.3
243.06541	3.3
245.04512	0.9
247.13402	0.3
259.06052	2.1
260.06778	1.9
271.05972	1.8
275.09088	0.3
287.05563	1.9
288.06247	4.4
288.19656	0.4
298.04489	0.4
299.05478	3.2
306.20618	1.5
316.05756	14.7
331.08096	100.0
332.08429	1.3
383.22162	0.7
401.23108	0.6
457.25781	0.3
475.26724	1.4
493.27563	3.2
506.99860	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29024	0.6
55.05522	1.6
56.05029	2.2
57.03441	2.0
57.07058	1.1
58.06599	100.0
58.73453	0.6
67.05501	8.3
69.07076	4.5
71.59542	0.9
71.59900	0.8
76.07639	5.1
79.05489	4.5
79.23082	0.7
81.07059	8.3
83.08631	2.0
91.05493	1.2
93.07062	3.2
95.04979	0.9
95.08607	5.7
97.10153	0.8
98.98491	3.3
105.07021	1.4
107.08614	1.5
109.10179	1.9
113.00035	1.5
119.08600	1.7
121.10157	1.6
124.93801	1.0
133.10162	0.8
147.11722	1.1
155.01111	2.2
156.96483	1.6
177.46536	0.7
184.07423	0.7
301.20200	3.5
319.21326	1.1
335.25714	3.8
337.27332	19.8
338.24246	0.7
338.27557	3.7
492.22064	2.4
492.32394	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97004	0.7
55.05494	1.8
56.05030	1.7
58.06596	1.7
60.08161	16.5
67.05509	3.5
69.07059	1.4
69.25857	3.2
69.26285	2.5
70.06576	0.6
71.07373	6.5
71.20529	0.5
79.05493	1.4
81.07056	3.2
83.08620	0.6
86.09708	50.7
91.05479	1.2
92.20068	0.5
93.07051	1.4
95.08600	2.5
98.98478	4.3
104.10745	100.0
105.07010	0.8
107.08584	1.0
125.00004	25.9
143.01006	0.6
144.72153	0.5
163.01515	0.6
171.69302	0.6
184.07344	98.1
185.07690	0.9
194.72240	0.6
258.11038	1.6
309.24136	1.0
415.22287	1.0
474.29846	7.5
492.30872	19.5
508.23376	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05264	1.0
55.05511	12.6
56.05019	1.4
56.23955	0.7
56.80226	0.7
57.03442	9.4
57.07062	2.9
58.06599	24.4
65.17764	0.7
67.05505	30.5
69.07066	17.0
69.92204	4.2
79.05480	9.3
81.06583	1.5
81.07057	29.6
82.22195	0.8
83.08616	9.1
85.06530	1.3
91.05479	5.5
93.07039	9.3
95.04999	1.0
95.08607	21.0
97.06522	1.7
97.10194	3.9
105.07021	3.3
107.08582	3.8
109.10156	8.3
111.08069	1.7
117.58250	0.8
119.08601	3.5
121.10116	3.8
123.11713	3.0
127.17171	0.8
133.10123	2.8
135.11652	1.7
147.11678	1.7
156.04231	4.8
161.13295	0.8
164.24950	0.7
192.96118	0.7
219.06476	1.5
263.23630	1.7
301.20071	1.0
335.25800	2.4
337.27362	100.0
338.27692	4.5
463.38312	0.9
492.22290	0.9
492.32849	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.7
57.03420	2.3
57.07072	5.5
65.03936	2.5
67.05492	6.3
67.41562	1.6
69.07072	12.0
69.80076	1.5
71.08608	3.0
79.05496	10.1
81.07063	4.6
82.07415	2.2
87.02679	3.9
91.05479	86.3
93.07013	2.5
95.05014	2.4
95.08617	5.4
98.21526	3.9
98.98467	5.5
103.05464	5.2
104.10758	2.0
105.07027	48.5
106.06578	3.0
106.07812	4.8
107.08623	3.8
109.10158	2.6
121.06501	1.7
125.57185	1.6
133.06494	42.9
133.07445	2.9
134.07263	24.4
135.08054	79.7
137.04198	2.0
140.29555	1.5
151.07538	18.8
154.11102	1.6
155.01085	6.3
165.03708	46.4
167.05290	8.0
179.05241	12.5
181.10121	6.5
183.04558	1.9
184.07353	2.9
190.96280	1.9
198.12782	69.5
198.14630	3.6
277.16199	29.5
295.17264	100.0
337.27121	2.1
338.27695	5.9
442.85168	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61271	0.3
53.03914	0.3
53.36477	0.3
55.05500	0.6
56.05028	0.5
56.96566	0.3
57.03424	0.5
58.06623	0.4
60.07878	0.5
60.08160	6.9
67.05502	1.4
69.07051	0.7
69.56976	0.7
69.57394	1.8
70.06562	0.4
71.07374	3.4
79.05459	0.4
81.07057	1.5
83.08582	0.4
86.09703	31.7
90.05540	0.3
91.05464	0.4
93.07030	0.9
95.08590	0.9
97.10146	0.5
98.98469	2.9
104.10739	3.1
105.07010	0.5
107.04932	0.4
107.08550	0.4
119.08551	0.3
121.10211	0.3
124.99995	21.9
135.08075	0.8
143.01007	0.7
148.75726	0.3
172.95177	0.3
184.07333	100.0
185.07646	0.9
219.17990	0.3
258.11096	0.3
293.09720	0.3
351.25583	0.4
411.10126	0.3
474.29419	0.4
492.31015	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91309	2.2
55.01872	3.3
55.05513	20.4
57.03188	3.2
57.03440	37.2
58.97580	2.3
59.91562	2.5
62.06077	7.1
65.03950	2.6
67.05504	59.3
69.03432	2.7
69.07066	20.0
69.37803	4.8
69.38217	18.4
71.04992	3.6
71.08633	4.9
77.03885	2.7
79.05498	70.2
81.07057	64.6
83.04977	4.6
83.08620	9.6
85.02862	2.2
88.52769	2.3
90.67976	2.6
91.05477	47.6
92.05798	2.2
93.07042	63.6
95.04965	8.8
95.08611	58.4
97.06527	4.0
97.10175	5.3
98.06068	3.8
98.98463	13.2
99.08083	5.9
105.07033	43.0
107.08586	40.6
109.06511	5.8
109.10155	16.6
111.08080	2.8
111.11668	2.9
113.17999	2.3
117.07019	13.8
119.08578	30.5
121.06509	2.6
121.10146	26.4
123.08052	3.1
123.11684	4.2
129.07005	3.1
131.08592	22.6
133.10146	26.8
135.11723	17.4
142.02663	4.6
143.08559	4.8
145.10130	13.8
147.11697	16.2
149.13225	9.1
151.11145	3.0
157.10149	5.6
159.11743	11.2
161.13284	10.2
163.11267	3.0
163.14850	4.3
166.59566	2.3
171.11691	6.1
173.13246	5.0
175.14795	4.3
177.12738	6.0
178.13089	3.9
185.13310	6.9
187.14809	10.8
203.18011	3.8
205.15921	5.4
216.06256	3.1
237.12871	2.5
241.19540	9.2
259.20615	17.7
277.21643	17.4
293.21063	12.5
302.24728	3.8
320.25885	23.0
333.24274	60.5
351.25266	100.0
394.29599	3.6
406.03253	2.8
431.21466	4.3
474.25931	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	492.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
56.05033	1.6
57.03447	0.8
58.06614	1.3
60.08166	18.1
62.06112	0.5
67.05509	1.8
69.37583	0.4
69.37908	3.4
70.06596	0.6
71.07377	6.6
75.70035	0.3
79.05497	2.8
81.07074	1.7
83.08617	0.5
86.09708	54.3
88.40147	0.4
91.05487	3.9
93.07034	2.3
95.04971	0.8
95.08594	0.8
98.98481	4.2
104.10746	100.0
105.07037	2.1
105.11094	0.8
107.08601	1.1
109.10155	0.4
117.07014	0.6
119.08597	1.0
119.14764	0.4
121.10120	0.4
125.00007	30.3
131.08566	1.0
133.10098	0.5
143.01019	0.4
152.62712	0.3
157.10146	0.5
184.07347	95.6
185.07628	1.2
186.07803	0.6
187.13713	0.4
223.23256	0.4
239.57091	0.3
258.10941	1.0
277.20874	0.4
291.19687	0.5
307.19077	0.7
351.24307	0.8
456.25107	4.7
474.26187	25.1
475.26257	0.8
492.27036	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34996	0.2
56.05038	0.6
57.03436	0.4
58.06604	0.4
60.08166	6.8
67.05500	0.7
70.06579	0.3
70.24744	0.9
71.07376	3.4
79.05492	0.9
81.07043	0.6
86.09706	33.1
91.05477	1.3
93.07030	0.8
95.04978	0.4
95.08622	0.3
98.98463	2.9
104.10741	4.2
105.07043	0.8
117.07063	0.3
119.08545	0.3
125.00005	22.7
143.01033	0.3
183.57298	0.3
184.07341	100.0
185.07697	0.5
198.73746	0.3
213.62770	0.3
219.17262	0.2
277.20636	0.3
333.23404	0.5
351.24347	0.8
364.47318	0.3
456.24994	0.5
474.26163	2.5
492.27158	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02973	2.8
55.01870	8.8
55.05501	12.2
56.90703	2.8
57.03424	15.0
57.07066	5.7
64.82417	4.0
65.03938	3.5
66.96726	3.1
67.05507	41.5
69.06777	2.8
69.07076	27.2
69.35462	3.1
69.37251	7.6
69.37654	28.3
70.06595	5.2
71.08632	13.8
73.55206	3.2
79.05483	30.0
81.03405	4.9
81.07059	48.2
83.04990	4.3
83.08624	8.0
91.05473	25.1
93.07033	30.4
95.04990	4.7
95.08611	30.6
97.06518	9.6
98.98478	4.5
99.08074	5.9
104.10671	3.3
105.07003	16.9
107.04897	3.9
107.08620	19.6
109.02857	3.6
109.06480	4.6
109.10136	11.1
111.08087	4.4
117.07031	3.7
119.08585	13.2
121.10127	16.5
125.09638	3.5
127.03904	3.5
131.08592	9.2
133.10133	14.1
135.11687	5.7
145.10123	7.3
147.11664	10.0
151.11232	4.9
161.13254	11.2
173.03615	4.2
175.14813	3.9
179.14365	4.4
189.12791	4.0
222.18591	10.5
259.20654	4.2
277.21597	28.8
320.25818	75.8
333.24213	16.7
351.25311	100.0
375.09515	4.1
380.84439	3.7
512.18616	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	492.272
Annotation	Zygosporin G
Peak:m/z	Relative Intensity
55.05507	26.7
57.03419	29.4
62.06088	40.4
67.05508	71.1
69.07073	20.9
69.74870	12.3
71.59827	23.1
73.80585	13.5
79.05489	64.5
81.07063	65.5
83.08635	13.5
84.77768	15.8
86.37811	14.3
91.05469	59.5
92.05811	16.8
93.07040	78.4
95.08610	44.6
97.10190	15.0
98.98454	30.3
105.07021	55.9
107.04953	22.1
107.08578	40.9
109.10157	24.2
117.07008	19.9
119.08582	38.8
121.10208	17.2
127.65903	15.4
131.08528	41.2
133.10170	31.6
135.11754	19.9
144.48755	14.8
145.10126	29.5
145.13493	13.6
159.11681	24.3
172.95219	55.1
190.96306	45.5
209.13213	53.3
219.17438	28.6
228.97830	28.4
259.20541	27.9
277.21790	18.6
293.20996	16.6
303.55081	13.9
333.17557	17.9
333.24271	57.2
351.24744	68.8
393.18500	15.2
394.31378	15.4
407.23984	18.5
469.16696	100.0
474.32797	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	492.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31188	0.3
53.03934	0.4
55.05496	0.8
56.05023	0.7
57.03432	0.4
58.06605	0.5
60.07889	0.4
60.08162	5.3
63.19968	0.3
67.05492	1.0
69.07052	0.8
69.91681	0.3
70.06597	2.0
70.16278	0.3
70.19785	0.6
70.20195	1.1
71.07375	2.6
71.08597	0.4
72.08140	0.7
79.05479	1.2
81.07065	1.6
83.08597	0.5
84.08132	0.9
86.09702	31.2
87.10020	0.5
87.78383	0.3
91.05473	1.8
93.07030	1.5
95.04931	0.6
95.08617	0.8
98.98481	2.8
104.10743	3.2
105.07033	0.8
107.04967	1.6
107.08575	0.6
108.05257	0.4
117.07008	0.5
119.08559	0.6
121.10105	0.5
125.00001	21.0
129.06956	0.5
129.10239	0.7
131.08554	0.5
143.01015	0.7
145.06482	0.6
174.28958	0.3
184.07335	100.0
185.07683	0.7
188.16908	0.3
214.47125	0.3
277.21317	0.4
307.18961	0.6
329.16931	0.4
329.67209	0.3
338.17548	0.5
351.24911	1.5
381.06982	0.4
455.25165	0.4
456.25598	0.4
456.31995	1.2
474.25778	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	492.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	9.6
57.03434	26.8
62.06091	100.0
67.05509	31.8
69.07050	6.5
70.77469	2.3
74.74590	2.2
75.04473	6.7
79.05491	13.7
81.07061	30.8
83.08603	4.7
91.05472	6.9
93.07037	10.8
93.38914	2.5
95.04951	2.4
95.08604	26.0
98.98464	61.5
103.03950	7.1
105.07009	7.4
107.08578	7.0
109.10139	14.1
119.08583	7.8
121.10160	4.6
123.11707	5.7
131.08557	2.4
133.10107	7.1
135.11737	3.6
145.10098	3.0
147.11621	4.8
148.01505	2.7
149.13245	5.0
154.56351	2.5
155.01038	39.3
173.02141	5.4
216.06319	6.9
231.21053	5.8
249.22173	4.8
259.20511	7.2
277.21579	3.0
351.21121	4.3
351.25281	62.3
426.79492	3.1
431.21707	4.1
474.26349	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	492.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.9
55.01868	3.1
55.05527	11.5
57.03420	6.9
62.06097	3.7
67.05235	2.5
67.05511	29.6
69.07063	17.6
70.06590	2.8
71.08627	4.8
79.05511	20.7
81.03423	23.3
81.07058	32.1
83.04975	8.4
83.08610	6.0
91.05489	11.8
93.07059	22.5
95.04985	15.9
95.08617	15.1
97.06525	6.0
97.10145	5.8
98.98455	5.6
99.08071	5.6
103.42755	2.5
105.07045	14.7
107.04939	3.7
107.08611	14.1
109.06522	4.1
109.10147	10.6
111.08035	2.7
117.05532	2.9
117.07001	3.8
119.08599	4.9
121.10150	5.2
123.11698	3.8
125.09589	6.1
129.06956	2.5
131.08546	3.0
133.10158	8.7
135.11700	5.1
135.66808	3.3
140.09195	2.5
147.11690	7.4
149.13220	3.7
151.11186	12.9
153.09096	7.9
161.13254	7.3
179.14297	3.0
197.38068	2.8
259.17865	2.8
259.20422	5.1
277.21655	51.9
307.09329	5.6
309.60284	2.3
320.26218	5.2
326.15686	2.8
351.25330	100.0
352.25388	2.8
356.62878	2.8
431.21985	11.4
449.23331	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	492.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
55.05512	7.0
57.03439	24.8
57.67366	1.1
62.06090	2.4
65.03947	2.2
67.05508	39.0
69.07062	7.2
69.80701	5.9
71.05003	1.2
75.04492	10.2
79.05489	12.7
81.03424	1.7
81.07062	31.8
83.04958	1.0
83.08616	2.8
84.04514	1.1
85.06556	1.4
85.07045	1.0
85.52526	0.8
86.09715	1.2
90.52071	1.2
91.05482	6.3
91.29110	1.0
93.07042	12.7
95.04952	3.0
95.08609	27.7
96.08979	1.1
97.06519	1.0
97.10184	1.0
98.98473	8.5
103.03949	5.6
105.07043	5.2
107.04972	1.4
107.08574	6.8
108.67946	1.0
109.10146	13.5
113.45205	1.0
119.08588	4.6
121.10131	5.7
123.08053	1.6
123.11710	3.7
131.08597	2.2
133.10141	3.9
135.08005	1.5
135.11681	3.7
137.13208	2.0
145.10126	1.1
147.11694	1.9
149.13257	1.8
151.11139	1.4
153.09151	2.6
155.01051	2.6
158.34718	1.0
159.11650	1.5
161.13249	1.4
163.14821	1.3
173.02115	1.8
173.13307	1.2
175.14832	1.1
184.07343	1.5
198.05347	1.5
216.06409	2.8
227.12741	1.3
241.19554	1.7
249.22154	1.3
259.20572	2.9
277.21530	6.7
307.09738	1.3
325.10410	1.4
351.25293	100.0
352.25668	3.8
431.21927	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	492.272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.2
55.05513	9.0
57.03438	6.1
58.30665	2.1
62.06093	10.9
67.05504	27.4
69.07077	10.4
70.84697	5.8
70.85045	2.7
71.04994	3.4
71.08627	33.0
79.05489	24.0
80.25582	1.9
81.03416	5.2
81.07057	32.6
83.04975	6.4
83.08629	7.1
83.93157	2.0
85.06532	3.0
85.64153	1.9
91.05476	17.9
93.07037	27.6
95.04994	3.3
95.08611	25.6
97.06560	6.3
97.10187	2.4
98.98464	13.5
99.08093	20.9
102.47490	2.3
105.07007	16.1
107.04962	5.4
107.08587	18.4
109.10175	8.6
117.07008	3.0
119.08571	11.6
121.10163	14.9
123.08064	2.7
131.08539	4.0
133.10136	8.5
135.11678	17.7
137.09624	3.3
145.10130	4.1
147.11679	6.4
149.13293	7.0
151.11179	12.1
155.01057	9.8
159.11693	3.6
160.12207	2.3
161.13263	18.2
163.11182	6.4
171.11790	3.0
173.02185	4.4
175.14760	3.1
176.11514	2.3
177.12840	2.6
179.14296	58.4
198.05157	2.9
216.06413	2.6
241.19449	2.7
246.54254	2.7
253.17987	2.7
259.20575	11.8
277.21616	65.0
320.25876	7.0
333.14590	13.0
351.25302	100.0
352.25858	3.6
399.29782	2.3
413.20840	5.1
431.21881	51.5
449.23383	3.0
474.26053	6.5
492.27271	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	492.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.05489	6.0
57.03426	4.4
57.07066	2.6
61.76036	1.7
67.05499	21.6
69.07062	8.9
70.53869	6.6
71.08630	22.4
74.92715	1.6
79.05492	23.0
81.03397	2.5
81.07059	26.9
83.04952	2.1
83.08607	4.8
85.06512	1.7
85.43037	2.1
89.41505	1.9
91.05476	15.0
93.07044	23.3
95.04958	3.1
95.08600	15.6
97.06512	4.4
98.98425	3.2
99.08103	17.4
105.07030	10.9
107.04930	4.6
107.08601	16.8
109.10149	6.0
117.06979	2.5
119.08566	10.3
121.10133	12.7
124.73100	1.8
131.08530	4.5
133.10129	7.2
134.51328	1.8
135.11690	14.5
145.10068	2.2
147.11659	3.3
149.13261	4.1
151.11148	6.6
159.11761	4.5
161.13248	6.5
163.11110	3.2
178.48114	1.7
179.14297	49.4
182.19855	1.9
244.88667	1.8
251.02829	1.8
259.20679	3.0
277.21628	34.0
320.25711	4.8
351.25259	100.0
357.24655	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	5.3
54.76080	0.8
55.01864	3.9
55.05511	4.9
56.96547	1.0
57.03432	3.7
57.07077	6.1
61.02916	3.4
67.05506	8.4
69.03424	15.0
69.07070	5.9
69.29562	5.9
69.29984	4.1
70.06602	2.5
71.04977	2.3
71.08640	1.0
73.02917	2.3
75.04475	3.9
76.89246	1.1
77.03914	1.4
79.05489	52.5
80.04993	1.3
80.16786	0.9
81.03415	15.1
81.07053	13.8
83.04981	2.4
83.08620	1.8
85.02903	37.6
86.09712	1.2
87.00822	14.1
87.04474	1.7
91.03951	1.9
91.05466	13.3
93.07040	57.1
94.06570	1.6
95.04980	8.0
95.08609	7.9
97.02882	11.8
97.06513	4.5
97.10181	1.8
98.06016	1.2
98.66707	1.0
99.04456	5.4
105.01864	17.9
105.07060	5.1
107.04952	38.0
107.08591	34.1
108.04505	1.6
108.05283	2.1
109.02885	11.4
109.06495	2.3
109.10170	3.3
111.04414	1.1
117.01861	1.2
117.07001	3.2
119.08572	3.1
121.06487	6.2
121.10128	7.6
125.05939	1.1
125.09560	1.3
127.03917	24.0
131.08577	3.7
132.08099	1.2
133.10129	12.7
134.09654	0.9
135.08057	2.8
135.11687	91.9
137.05998	1.0
139.07539	11.4
145.04936	8.4
145.10135	1.6
147.11697	1.6
149.09616	1.3
149.13255	48.2
150.07671	1.0
153.09091	5.1
155.08549	1.0
159.02843	5.2
159.11713	5.5
163.11143	2.3
166.86563	0.9
172.96405	1.0
173.13240	1.1
175.11205	1.0
177.12740	41.1
195.13789	2.6
209.15363	100.0
210.15697	2.6
220.13222	1.0
227.12776	2.7
227.16463	1.8
231.05025	5.8
248.07741	1.4
249.06082	1.9
279.11224	1.3
286.18735	1.0
292.12485	3.3
292.19000	1.7
362.22327	1.2
386.18271	5.6
492.22089	8.7
492.27484	1.4
492.32889	6.1
493.28232	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	1.4
55.05497	2.5
57.07070	100.0
59.84781	1.1
66.81176	1.1
67.05496	3.3
69.07059	95.2
69.77915	1.1
70.07832	5.2
70.15140	1.1
71.06382	3.2
80.01237	1.1
82.30534	1.1
91.05463	1.6
93.07044	1.9
98.99986	4.4
103.03189	1.6
105.06995	1.7
107.08596	2.9
110.03518	3.6
113.01571	1.7
115.07550	18.5
119.08573	3.0
121.10132	1.9
121.93784	1.4
126.99462	9.6
129.01028	17.8
133.10118	2.3
138.10254	4.8
141.01012	18.1
145.10034	1.5
151.11084	1.7
155.02579	10.4
159.11635	2.1
172.87492	1.1
178.09743	4.6
197.07271	51.9
206.09210	2.3
225.06783	2.7
234.15901	3.5
280.16547	3.5
334.09494	28.2
348.14407	1.7
352.10547	1.6
362.16245	27.0
372.14886	1.4
390.15747	3.0
408.16794	24.8
492.22568	27.4
492.35220	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	492.226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	3.9
57.07071	90.7
67.05492	3.9
69.07064	100.0
70.04061	6.9
70.07391	1.4
70.07834	4.1
70.72890	4.2
79.36855	1.3
81.07056	2.2
83.04964	4.0
91.05498	1.9
93.07065	2.1
95.04929	1.5
98.99986	3.4
105.07011	2.5
110.03532	2.0
113.01581	2.0
115.07555	16.3
119.08597	2.3
126.99451	8.7
129.01025	12.1
131.00726	1.3
136.42191	1.4
138.10229	2.7
141.01004	15.6
141.99318	1.6
155.02548	6.0
168.02057	1.6
178.09750	1.6
197.07269	43.9
199.06982	3.9
206.09204	3.0
224.10341	1.7
225.06735	2.2
262.15640	1.4
280.16531	3.3
296.32864	1.4
334.09491	30.9
362.16257	23.3
408.16776	23.1
416.47513	1.7
436.08932	2.1
491.44977	5.0
492.15543	3.1
492.22577	28.4
492.37524	1.9
492.45236	1.8
493.22736	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	492.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05228	0.3
53.03938	0.8
55.01865	0.9
55.05504	0.3
56.05032	0.8
57.03421	0.4
60.04515	1.0
61.02913	0.4
61.46397	0.3
68.05027	0.4
69.03423	0.7
70.06588	8.8
71.04987	0.5
71.57663	0.3
71.58022	0.3
72.08151	2.5
74.06061	0.5
78.19004	0.3
79.05487	2.8
81.03431	0.5
83.06058	0.3
84.04502	1.5
84.08135	3.3
85.02904	3.2
86.06059	0.5
86.09697	2.9
87.05590	0.5
89.07166	1.6
90.05550	3.0
91.05508	0.6
95.04958	1.1
97.02917	1.1
98.06010	0.3
99.04466	0.3
102.05549	0.8
103.05461	1.7
105.07024	24.1
106.07330	0.5
107.04945	6.4
110.07193	2.3
111.09134	0.4
115.05436	1.3
116.07163	0.3
118.51887	0.3
120.08112	1.3
124.84781	0.3
127.03909	0.7
127.08764	0.3
129.10242	2.3
130.05003	0.8
131.04919	0.5
133.06485	100.0
134.06812	2.2
135.07991	0.3
136.07578	0.9
145.04996	1.6
146.06027	0.4
147.07607	0.3
163.05995	0.8
210.43643	0.3
216.82262	0.3
281.14868	0.4
325.11066	0.3
492.27170	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.8
55.05501	1.5
57.07072	100.0
63.82560	0.7
67.05501	1.8
69.07062	93.3
70.07485	0.9
70.07843	5.2
79.05532	0.9
85.06522	1.0
88.33044	0.7
89.06024	1.7
96.05600	0.8
98.99997	4.7
105.07026	9.4
106.07364	1.9
107.35175	0.7
110.03513	4.3
113.01563	2.3
115.07559	15.8
115.31877	0.7
121.55230	0.8
126.99455	9.5
129.01027	13.8
130.63495	0.7
138.10286	2.3
139.00581	0.9
141.01009	17.0
150.03033	1.1
155.02560	8.0
178.09683	1.8
197.07275	48.7
205.47455	0.8
206.09306	3.3
225.04822	0.7
225.06783	3.4
229.65762	0.7
234.16115	1.5
280.16583	3.4
334.09500	32.5
348.14850	2.3
362.16290	22.4
362.20798	1.5
371.80438	0.9
372.14740	0.8
390.15732	1.4
398.66379	0.7
408.16837	26.8
492.22580	24.6
492.28912	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.4
55.01862	0.5
55.78024	0.4
69.57015	2.2
70.06605	0.5
79.05495	2.4
79.96347	0.3
87.53940	0.3
95.04954	0.7
103.05459	1.8
105.07031	23.2
106.07459	0.5
107.04963	1.5
115.05437	0.9
133.06491	100.0
134.06818	1.0
135.08070	0.5
154.77562	0.4
183.38895	0.4
213.04198	0.4
340.46329	0.5
487.37802	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2997
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03931	7.6
55.01859	6.0
55.05509	33.2
55.27122	2.7
57.03437	15.2
57.07075	4.3
65.03922	4.0
67.05167	4.9
67.05501	56.2
69.03438	4.7
69.07063	16.3
69.71104	15.5
71.04985	7.7
76.39669	2.5
77.44018	3.1
77.51507	2.6
78.30351	3.0
78.49638	2.9
79.05054	4.3
79.05484	55.8
81.03410	38.8
81.07052	64.7
83.04961	8.7
83.08624	22.1
85.02898	4.7
85.06541	4.4
91.03947	3.1
91.05476	100.0
93.07041	48.3
95.04965	28.8
95.08605	23.7
97.02876	3.3
97.06525	4.9
97.10173	19.7
98.21458	6.2
98.44907	2.6
105.06378	4.2
105.07023	55.4
107.04944	20.0
107.08585	21.0
109.06509	11.2
109.10155	10.0
111.08083	5.8
115.05508	3.2
117.07011	31.9
119.04941	5.5
119.08567	30.5
120.08101	15.9
121.06477	7.9
121.10097	8.6
123.08073	5.8
123.11683	24.1
125.09621	14.4
128.06204	3.8
129.06996	25.4
131.08568	19.4
133.06493	4.0
133.10138	19.4
133.63525	3.2
135.08032	5.1
135.11719	6.4
141.06970	6.9
143.08533	18.3
145.06462	7.4
145.10123	19.6
147.11723	22.8
155.08548	9.4
157.06372	3.3
157.10081	10.4
158.97534	3.5
159.07950	4.1
159.11603	4.0
161.09605	3.9
161.13292	4.5
163.11160	8.2
167.08522	3.1
169.10123	6.1
171.08070	5.1
171.11627	13.4
174.79434	3.6
181.10109	4.7
184.44763	3.4
185.13237	6.2
187.13332	10.2
189.11203	7.3
189.12741	6.0
192.93721	4.4
193.12251	13.3
207.13763	12.1
211.14883	3.6
217.81894	3.1
219.13837	2.8
223.14842	4.0
227.12596	15.2
231.13776	5.0
243.15860	9.5
249.14758	14.9
267.15906	21.9
270.47549	2.6
277.18100	3.8
279.16931	8.4
281.17398	23.7
305.17444	11.9
348.80707	2.8
363.23221	6.4
372.73154	3.5
381.24197	9.0
399.25378	13.8
417.26447	4.7
455.27658	5.4
473.28876	74.9
491.30350	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	491.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	19.9
59.30104	8.8
67.05498	28.5
70.06597	14.8
71.51511	17.1
73.02906	21.6
79.05484	27.9
81.03406	14.1
81.07039	22.8
82.49043	7.7
84.04512	9.9
85.02876	10.0
86.56666	7.7
87.04489	15.0
89.06021	23.8
91.03970	9.1
91.05476	19.6
93.07037	18.5
95.04965	17.1
95.08609	16.0
97.02926	10.3
97.10177	9.0
105.07036	12.6
107.04960	100.0
107.08585	17.7
108.05282	15.8
121.06496	10.3
121.10136	10.6
133.08513	17.5
137.82097	8.7
145.10062	10.0
160.89081	7.3
163.03819	10.9
163.11252	11.1
233.02715	17.0
385.22513	16.0
491.25946	25.1
501.76389	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	491.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42249	47.3
50.45902	39.3
52.83870	39.4
54.15229	40.9
60.46041	43.2
70.77464	100.0
76.12400	52.1
160.51788	43.6
192.70474	47.0
341.05649	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
53.75766	0.5
55.05508	19.0
57.03431	0.6
57.07061	0.8
58.99578	9.7
59.94433	0.5
61.01139	0.8
64.81770	0.6
67.05492	4.3
69.03420	0.7
69.07053	1.5
69.61462	2.9
69.83705	0.5
70.06594	0.9
73.01141	1.1
73.93859	0.5
76.02222	2.9
76.04000	3.7
77.09460	0.5
79.05483	4.6
81.03401	2.2
81.07060	6.0
83.08614	21.5
85.02877	1.3
86.99051	11.2
88.02209	2.6
88.12875	0.6
91.05470	3.5
93.07040	3.2
95.04966	3.7
95.08619	3.4
97.02905	1.1
97.06502	0.7
97.10168	1.5
101.09678	1.3
105.07014	2.4
107.04948	76.6
107.08610	2.7
107.50536	0.7
108.05288	0.6
109.06502	0.6
109.10159	2.2
116.01669	57.6
117.07014	1.0
119.08520	1.3
121.02845	1.5
121.06506	1.5
121.10123	1.6
123.04421	0.7
123.11707	0.8
129.07086	0.6
130.04984	0.8
131.08553	1.3
133.10124	0.9
135.08026	1.0
135.11711	1.6
141.79924	0.5
144.01132	29.3
145.10133	1.5
147.04283	0.5
149.13254	0.6
157.10065	0.9
159.08371	5.9
159.11700	0.8
162.02193	100.0
163.02603	0.7
163.11200	2.0
173.13242	0.6
179.04803	0.8
187.11171	0.6
189.11293	0.7
227.12781	3.9
247.13173	0.7
262.11069	58.7
263.11282	0.8
279.13718	79.2
280.14139	0.8
361.21390	0.9
371.21942	0.7
385.17941	17.6
385.23196	1.0
400.02524	0.6
459.27005	1.0
473.25528	0.6
491.25989	1.9
491.31653	1.9
492.22229	0.7
505.08252	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.6
57.03421	0.9
57.06825	0.7
57.07072	10.6
58.06598	9.1
67.05499	4.1
69.07064	7.1
69.39230	6.1
70.06564	1.0
71.08630	4.7
74.37463	0.6
79.05494	1.6
81.07040	2.5
83.04974	14.8
83.08606	2.6
85.10168	2.6
88.07593	1.2
89.06018	1.5
90.26538	0.6
91.05461	2.4
93.07024	2.3
95.08616	1.3
97.10173	1.2
105.07036	3.2
106.07355	0.6
109.10120	2.4
115.07569	0.6
119.08582	1.3
121.06519	0.9
121.10119	0.8
131.08507	0.7
132.10237	0.9
133.10110	0.8
134.10446	0.7
145.10091	0.8
166.11623	0.7
173.11714	0.7
197.07225	1.3
219.71861	0.6
262.64886	0.8
286.15179	0.6
296.33099	65.8
297.33591	0.8
311.66983	0.8
340.35580	3.6
363.91467	0.6
380.30389	1.1
398.31235	0.8
408.16837	2.0
472.34940	1.1
489.25540	0.7
490.36670	5.9
490.44598	100.0
491.29480	0.9
491.45023	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23889	0.2
55.01862	0.4
55.05510	1.4
57.03424	0.4
61.02909	0.4
67.05502	2.4
69.03426	0.5
69.07070	1.7
70.11476	0.3
71.11536	0.4
71.11874	0.5
79.05477	1.5
81.03421	0.4
81.07047	1.7
83.04957	0.4
83.08624	0.5
85.02911	0.9
85.06538	0.7
87.04465	11.3
91.05466	1.6
93.07054	1.4
95.04961	0.9
95.08591	1.2
97.02864	0.5
97.06544	0.4
97.10188	0.6
105.07035	1.1
106.06560	0.5
107.04931	2.1
107.07322	0.5
107.08602	0.8
108.08130	0.3
109.10165	0.7
109.49419	0.3
115.07605	0.5
117.05786	0.7
117.06979	0.5
118.06545	6.3
119.08571	0.4
120.08099	1.0
121.06482	0.8
121.10133	0.3
123.08047	0.3
123.11732	0.3
125.09635	0.5
129.06990	0.3
130.06523	2.5
131.07330	1.4
131.08614	0.5
132.08090	3.2
133.08873	0.4
133.10098	0.5
133.69106	0.3
134.09604	0.4
135.11662	0.5
138.09084	0.4
144.08070	1.4
145.08881	0.4
145.10136	0.6
146.09648	4.4
156.08199	0.4
158.09692	0.7
160.11224	1.1
163.11174	0.5
166.08594	0.4
172.11211	0.8
186.12793	0.4
188.14250	0.5
202.15901	0.7
204.10216	0.8
218.11792	0.9
227.12735	0.6
228.17511	1.3
232.13332	0.8
256.16965	1.6
258.18616	0.4
261.02469	0.3
263.11804	0.4
274.17953	0.4
318.24347	1.9
324.26791	1.5
337.11868	1.3
340.26349	3.1
349.23871	0.5
357.34409	0.4
358.27307	0.6
368.25827	13.7
369.26184	0.5
386.26877	22.0
387.27301	1.3
404.27948	12.7
405.28424	0.5
408.43042	0.3
459.27271	0.4
472.30417	1.1
490.31635	100.0
491.32156	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	490.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67181	0.5
53.03933	1.6
55.01868	0.8
55.05266	0.7
55.05512	8.8
56.05011	0.7
57.03194	0.7
57.03442	8.0
57.07070	1.0
58.06599	29.5
65.03933	0.8
66.46982	0.5
67.05503	33.2
68.05817	0.6
69.07066	7.1
69.42735	4.5
69.82872	0.5
78.13239	0.5
79.05492	16.9
79.51337	0.5
81.07056	26.9
83.04961	1.1
83.08605	2.9
85.06557	0.8
91.05477	8.5
93.07043	18.4
93.07635	1.0
95.04980	2.3
95.08606	20.4
96.08907	0.8
97.06527	1.1
97.10179	0.9
98.98457	2.3
105.07031	5.9
106.88960	0.5
107.08590	7.4
108.08894	0.5
109.06471	0.7
109.10159	9.1
117.07030	1.5
119.08578	4.0
121.10126	6.0
123.11694	1.7
127.46430	0.6
131.08588	2.4
133.10106	2.4
133.44899	0.5
135.11665	3.3
137.13248	0.6
145.10109	1.5
147.11685	1.0
149.13258	2.2
155.01016	2.3
156.04204	4.3
159.11703	1.3
160.11972	0.7
161.13130	1.2
163.14838	0.9
173.13246	1.5
215.80588	0.5
261.22180	1.1
262.22440	0.8
335.25793	100.0
336.26135	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	490.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07474	0.8
51.93830	0.8
53.03955	1.5
55.05516	8.9
56.05037	0.9
56.82789	0.8
57.03451	8.5
57.07070	1.0
58.06307	1.4
58.06602	27.5
65.03946	1.7
67.05507	30.4
69.07077	9.2
69.65550	0.8
70.84724	2.6
79.05499	17.0
81.06587	1.4
81.07062	27.2
81.07530	1.8
83.08635	2.6
86.09718	0.9
91.05490	7.2
93.07046	15.9
95.04982	2.4
95.08605	22.1
97.06506	1.1
103.45104	1.0
104.10749	3.0
105.07040	3.5
107.08585	8.8
109.10152	8.1
119.08593	3.6
121.10146	6.8
123.08107	1.0
123.11736	1.6
131.08569	2.0
133.10141	2.1
135.11691	2.5
145.10181	1.5
149.13297	1.8
156.04222	4.5
159.16853	0.9
173.13243	1.2
298.00046	1.1
319.95569	1.0
335.25809	100.0
336.26105	2.1
431.21567	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	490.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.0
56.05003	1.4
56.37350	0.8
56.96573	0.9
59.04993	6.9
60.04502	0.9
61.02904	0.7
61.97343	0.7
64.31632	0.8
67.05480	1.3
69.03412	2.7
69.44030	7.3
70.04073	1.1
70.06588	9.1
72.08150	1.6
73.02884	0.9
73.06530	2.3
73.89933	0.8
79.05485	0.9
81.03400	1.6
81.07014	0.9
83.06103	1.5
84.04499	1.7
84.08115	2.4
85.02892	1.7
86.06059	0.9
86.09692	5.9
87.04459	32.6
89.06024	69.1
91.05467	1.6
95.04975	1.7
95.06071	2.1
95.08595	1.0
97.02872	0.9
98.97572	1.5
103.03934	100.0
103.07568	3.1
105.07007	1.7
107.04955	10.6
107.07047	4.0
110.07157	8.0
113.06065	1.0
117.09137	1.1
119.04918	0.9
119.07043	1.3
120.08060	1.8
121.04911	1.5
121.08574	2.7
129.10214	1.2
131.04866	0.9
131.07027	8.1
132.95805	0.8
133.06540	4.0
133.08594	46.1
147.04433	1.4
147.06506	10.7
151.03951	1.3
156.07654	1.1
158.69196	0.8
163.09637	3.3
174.47925	0.7
175.09625	4.5
177.11211	15.2
179.00027	1.2
188.07057	1.8
191.09154	4.5
202.99933	1.5
207.12268	3.5
219.12215	1.0
221.13759	2.8
234.98909	1.7
235.07454	1.2
235.11703	5.4
238.99986	1.6
239.14853	1.0
262.11871	1.8
265.16370	0.9
279.14294	1.2
285.74576	0.8
293.18427	1.7
305.03088	5.0
309.19055	0.9
317.11172	0.8
338.20731	4.2
365.40054	0.8
384.21194	14.6
415.25226	1.0
427.25327	1.5
429.23172	0.8
473.25931	7.0
490.25635	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	490.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.5
56.05029	1.4
57.03419	0.6
58.06602	1.5
59.07376	0.7
60.08163	16.9
61.45039	0.6
67.05495	1.7
69.07077	1.5
69.79475	3.6
70.06591	0.7
71.07377	7.4
79.05486	2.8
81.07059	2.2
83.05025	0.6
86.09708	46.0
91.05468	2.8
93.07032	2.3
95.08610	0.8
98.98466	4.3
104.10744	100.0
105.07028	3.0
107.04939	1.7
107.08585	0.9
109.06523	0.6
117.07031	0.7
119.08583	0.8
125.00008	25.6
131.08574	0.9
133.10147	1.0
145.10088	0.8
163.01492	1.1
184.07346	93.3
185.07773	1.0
202.28954	0.6
211.21410	0.7
258.10873	0.8
275.20102	1.0
331.22543	0.7
349.23785	2.9
472.24527	6.8
490.25629	20.2
491.25763	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.4
55.01866	4.6
55.05508	13.3
57.03435	26.7
60.08157	2.8
61.88139	2.4
62.06047	2.6
64.52184	2.2
67.05206	2.5
67.05502	21.5
69.07050	10.1
69.58816	1.9
70.06586	4.6
70.84647	3.5
70.85001	5.0
71.04968	2.6
72.13828	2.0
73.63791	2.7
79.05071	3.4
79.05495	48.1
81.07053	23.0
83.08571	5.2
84.08118	2.5
86.09702	11.8
91.05481	39.7
93.07040	31.7
95.04975	4.9
95.08598	17.9
97.06541	2.4
97.10155	6.0
98.98425	3.0
104.10738	3.4
105.07032	36.8
107.04940	6.7
107.08595	66.5
109.06544	5.8
109.10147	4.3
117.07036	11.3
119.08570	21.4
121.10141	9.9
121.10957	2.2
123.07996	2.6
125.00010	6.9
129.06967	4.9
131.08575	13.4
133.10144	14.3
135.11679	4.1
143.08582	7.8
145.10156	15.3
147.11668	8.0
149.09644	5.6
157.10126	4.5
159.11673	12.0
161.13252	4.6
163.11160	2.9
171.11658	3.0
173.13275	5.9
175.14717	4.5
179.57545	2.0
184.07333	25.2
185.13266	11.3
203.14265	8.8
216.06425	2.3
219.17427	4.5
227.12971	2.6
239.17973	5.8
257.19135	10.5
275.20102	22.7
318.24411	2.7
331.22617	31.9
349.23712	100.0
350.24051	4.5
402.32599	2.2
447.86563	2.7
472.24396	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01718	1.4
53.03941	2.8
55.01858	2.1
55.05498	7.0
57.03437	31.2
62.06069	2.3
67.05507	17.4
69.03423	2.0
69.07057	5.6
69.48096	8.0
69.48502	3.1
71.04962	2.2
71.94861	1.4
73.60540	1.4
74.32046	1.6
79.05495	30.0
81.03428	2.2
81.06651	1.8
81.07062	21.1
83.08614	4.1
85.06523	4.1
91.05482	26.8
93.07045	30.2
93.32164	1.7
95.04949	5.2
95.08605	16.1
97.02897	1.8
97.06539	3.4
97.10127	1.9
98.98423	2.3
99.08088	1.9
105.06391	2.3
105.07035	26.4
107.04966	3.4
107.08581	15.5
109.02850	1.5
109.06495	7.2
109.10155	3.9
111.08096	1.8
117.07030	10.0
119.08577	25.0
121.05001	1.8
121.06506	1.7
121.10136	6.8
123.08068	2.9
127.03916	1.8
128.06203	3.1
129.07018	7.0
131.08588	10.7
133.10117	12.5
135.08006	1.6
135.11667	3.2
137.09555	2.5
143.08556	6.2
145.10136	10.1
147.08037	1.7
147.11705	8.9
149.09628	4.2
149.13266	1.8
157.10135	4.3
159.11707	11.1
161.09618	1.5
161.13264	5.2
163.11209	2.4
171.11739	1.5
173.13280	5.4
175.14778	4.8
177.12544	1.8
183.11693	2.9
184.07268	2.5
185.13257	16.2
197.13263	1.5
200.14645	1.6
201.16394	3.1
203.14342	10.1
216.06476	1.6
219.17426	11.7
221.15430	3.3
239.17935	4.2
248.51578	1.6
257.18973	9.4
275.20068	26.8
277.17944	2.2
318.24277	3.5
331.22687	7.2
349.23718	100.0
350.24295	1.8
472.24811	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	490.2562
Annotation	Decaturin C
Peak:m/z	Relative Intensity
55.01852	0.2
55.05537	0.3
56.05028	0.7
57.03434	0.9
58.06587	0.3
59.07410	0.3
60.07875	0.5
60.08165	7.2
62.06089	1.2
66.51528	0.3
67.05506	1.1
69.07066	0.4
69.80235	1.4
70.06559	0.3
71.07378	3.3
72.64771	0.2
75.82977	0.3
79.05493	1.5
81.07056	0.9
86.09706	35.7
87.10044	0.4
91.05482	1.5
93.07040	1.3
95.04960	0.6
95.08598	0.5
98.98466	4.7
104.10741	4.9
105.07050	1.5
106.42069	0.2
107.08600	0.7
109.06520	0.3
116.51427	0.3
117.07023	0.6
119.08574	0.9
121.10175	0.4
125.00005	24.9
129.07005	0.4
131.08556	0.8
133.10109	0.8
142.08003	0.3
143.00954	0.3
143.08572	0.6
145.10121	0.9
149.09592	0.3
155.01099	0.4
157.10078	0.4
159.11659	0.5
173.13278	0.6
184.07341	100.0
185.07658	1.1
185.13268	0.5
219.17401	1.0
239.17859	0.5
257.18942	0.9
258.11063	0.3
275.19986	1.3
280.59152	0.3
318.23990	0.3
331.22665	0.6
349.23743	3.6
400.37442	0.3
411.19281	0.4
429.20087	0.3
472.24216	1.1
490.25418	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	490.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63605	2.3
53.03937	2.5
55.05498	8.4
57.03440	24.2
60.08150	3.3
62.06091	3.1
63.87777	2.3
67.05502	15.5
69.07055	7.9
69.60246	17.5
70.06583	3.6
79.05491	31.6
81.07059	20.4
83.08596	4.2
85.06537	3.5
86.09220	2.4
86.09708	27.3
91.05477	29.0
93.07037	39.0
95.04980	6.2
95.08602	19.5
97.10139	3.0
97.74079	2.0
98.98457	6.2
104.10748	5.1
105.07026	35.7
107.04967	4.1
107.08606	13.6
109.06505	4.8
109.10152	5.9
117.06997	12.6
119.08597	25.4
121.10113	7.1
124.99998	13.8
128.06151	2.5
129.05447	3.6
129.07001	9.1
131.08572	15.3
133.10124	10.6
135.11693	4.7
143.08582	11.4
145.10147	12.7
147.11665	5.6
149.09634	4.4
157.10034	4.6
159.11653	11.6
161.13223	10.7
171.11588	3.2
173.13242	6.7
175.14801	4.3
175.68675	2.6
183.11774	3.5
184.05774	4.6
184.07346	72.2
185.13216	18.2
191.14433	2.4
203.14322	13.3
219.17470	8.2
220.17990	2.8
221.15396	3.3
229.19550	2.2
239.17914	6.2
257.19107	12.8
275.20081	28.9
318.24185	3.0
331.22668	36.4
346.46976	2.5
349.23730	100.0
370.85696	2.7
472.24329	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	490.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.1
55.05512	12.7
57.03447	21.9
62.06088	17.7
65.71532	2.2
67.05242	1.9
67.05513	21.7
69.07070	13.8
70.02580	6.8
70.02981	4.0
70.06591	6.0
79.05499	41.7
81.07051	22.2
83.08626	5.8
84.08114	2.2
85.06539	6.2
86.09701	6.7
90.72105	2.0
91.05476	33.0
93.07054	29.5
95.04951	5.7
95.08632	17.7
97.10167	6.5
98.98446	14.7
99.08080	3.9
104.10745	6.1
105.06391	3.0
105.07035	28.7
107.04952	8.7
107.08598	41.4
109.06519	8.0
109.10137	3.4
110.56194	2.5
114.11051	2.1
117.07022	12.2
119.08589	25.9
120.08087	2.4
121.06482	2.8
121.10143	8.2
123.08054	2.3
125.09592	3.3
128.06264	2.5
129.07005	8.7
131.08568	14.4
133.10150	14.0
135.08038	3.8
135.11697	4.4
143.08549	9.2
145.10091	15.1
147.11716	7.1
149.09590	5.6
153.09091	5.5
155.01006	5.4
157.10126	8.6
159.11700	11.8
161.13268	6.0
163.11151	2.8
169.10152	4.2
171.11722	4.0
173.02222	3.0
173.13226	6.7
175.11086	2.3
175.14767	4.2
177.12843	3.1
183.11700	3.5
184.07341	9.4
185.13268	13.4
187.05586	2.2
189.11209	5.9
197.13312	2.7
201.16396	3.3
203.14320	7.3
216.06274	3.0
219.17424	9.4
227.12831	10.9
239.17970	10.1
239.85959	2.3
257.18976	19.3
273.18311	2.5
275.20096	33.8
277.17831	2.7
307.09354	2.7
318.24255	10.3
319.14670	2.9
329.85455	2.5
331.22720	27.5
347.22443	2.9
349.23740	100.0
350.24088	3.2
411.19284	6.5
429.20407	7.0
472.24606	9.3
490.25424	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.6
55.01870	2.3
55.05515	16.9
57.03436	21.5
62.06076	6.1
65.03933	3.6
66.65364	1.8
67.05503	22.2
67.89855	2.0
69.07051	8.2
70.06586	4.5
71.04172	4.2
71.04943	2.4
79.05490	63.6
81.07056	22.0
83.04958	2.8
83.08607	4.6
86.09686	7.7
91.05479	40.7
93.07032	35.0
94.11060	2.1
95.04955	8.5
95.08611	18.3
97.06538	3.3
97.10171	6.7
98.98450	5.9
99.08108	2.7
104.10754	2.4
105.07033	40.0
107.04955	4.4
107.08592	98.1
109.06519	4.6
109.10147	5.9
115.05473	2.3
117.07031	10.9
119.08575	19.2
120.08083	2.3
121.10142	8.6
125.00010	3.3
125.09617	5.8
129.05496	4.2
129.06985	6.2
131.08580	13.6
133.10123	9.6
135.11694	4.9
143.08568	5.7
145.10136	14.0
145.11098	2.6
147.11696	11.5
149.09593	5.0
153.09160	2.6
157.10214	2.4
159.11679	8.9
161.13266	5.7
167.00793	2.7
171.11644	3.5
173.13258	5.0
180.81963	2.1
183.11700	4.3
184.07376	15.5
185.13181	12.3
189.11269	5.1
197.13272	2.0
203.14310	5.8
216.06276	3.1
219.17485	5.3
229.19568	2.8
239.17970	6.0
257.19012	10.7
275.20029	27.2
331.22659	29.4
349.23724	100.0
350.24136	3.0
435.24097	2.1
472.24762	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	490.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35114	1.8
55.01864	5.1
55.05498	5.4
57.03418	4.0
58.80971	2.1
62.06078	7.7
67.05502	13.5
69.07056	7.4
69.79648	14.8
70.94707	1.9
71.08630	38.0
79.05486	24.6
81.03406	2.3
81.07065	16.5
83.04961	3.7
91.05482	21.8
93.07030	21.9
95.04939	2.6
95.08590	9.1
97.06508	4.8
97.67743	1.9
98.98470	14.3
99.07569	2.8
99.08099	26.3
105.07054	14.1
107.04961	4.9
107.08579	4.1
109.06494	3.0
109.10130	5.1
117.07002	10.8
119.08572	9.0
121.06505	5.7
121.10139	3.9
124.22054	2.1
129.07030	3.1
131.08545	10.3
133.10103	11.0
135.08025	18.0
135.11653	2.8
141.09137	2.9
143.08517	5.1
145.10138	3.5
147.11610	2.8
149.09607	3.8
149.13214	9.6
151.02054	2.2
151.11188	7.7
155.01048	8.2
157.10081	3.9
159.08061	2.6
159.11671	21.7
161.09625	24.3
169.10199	3.5
173.02145	2.6
173.11749	4.2
177.12746	100.0
178.13127	2.5
198.05255	3.9
229.19574	3.9
239.17885	7.4
257.19028	24.4
275.20065	27.2
318.24170	5.8
331.13113	10.1
349.23727	67.9
350.23947	3.1
400.67410	2.6
411.19394	5.0
429.20334	23.2
447.21390	3.0
472.24738	5.3
490.25607	4.6
511.77344	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.6
55.01860	5.7
55.05506	4.9
57.03452	9.5
62.06076	1.9
67.05508	15.4
69.07063	6.4
70.94864	3.3
70.95245	3.6
71.08289	2.4
71.08635	38.1
79.05495	29.9
81.03413	3.0
81.07059	19.2
83.08630	1.9
90.29736	1.7
91.04953	2.8
91.05476	24.2
93.07040	18.3
95.04970	5.8
95.08630	9.8
97.06533	6.4
98.98460	3.8
99.08102	26.4
105.07038	13.4
107.04929	6.1
107.08596	10.0
109.06496	2.0
109.10146	2.7
111.08065	2.4
117.07035	14.3
119.08585	9.1
121.06491	4.3
121.10140	4.4
129.07016	2.1
131.08562	7.3
133.10120	7.4
135.08080	13.5
135.11707	2.7
141.09146	1.7
143.08591	3.1
145.10124	3.5
147.11659	2.1
149.09589	2.1
149.13266	5.5
151.11188	10.3
155.00960	1.8
157.10098	2.6
159.11679	13.9
161.09619	13.4
165.12772	1.5
177.12755	67.0
178.13264	1.7
183.11650	2.4
185.13268	2.0
187.11244	1.8
203.14276	3.0
219.17477	3.8
257.19012	8.0
275.20099	17.4
318.24121	3.8
349.23758	100.0
350.24118	4.7
425.14478	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	490.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.9
53.64533	0.9
55.01876	4.2
55.05512	9.3
57.03440	24.0
60.08154	1.0
62.06085	3.3
65.03954	1.1
67.05505	23.2
69.07068	16.4
70.06585	1.5
70.77711	2.7
79.05492	32.0
81.03421	2.4
81.07059	28.3
83.04978	2.3
83.08619	3.9
84.08149	1.5
85.06538	3.9
86.09702	5.9
91.05479	35.3
93.07047	30.9
95.04969	6.8
95.08604	20.6
96.08917	1.0
97.06529	6.5
97.10187	1.5
98.98479	5.5
99.08092	3.2
100.45057	0.9
103.05466	1.8
105.07021	34.3
107.04948	6.1
107.08594	19.2
109.06497	4.5
109.10166	3.9
111.08102	2.0
116.06256	1.3
117.07019	17.3
119.08577	24.6
120.08110	1.3
121.06510	2.3
121.10126	7.6
123.08085	2.7
124.01591	1.7
125.00014	4.4
125.09619	3.9
128.06226	2.3
129.05511	3.4
129.06973	7.2
131.08563	16.4
132.08922	1.2
133.10118	15.6
134.09634	1.0
134.17908	0.8
135.08113	2.2
135.11678	5.2
141.07033	2.5
142.07800	1.4
143.08586	9.6
145.10109	13.4
147.08063	1.4
147.11705	8.2
148.11137	1.2
149.09621	5.0
149.13283	1.6
151.11194	2.0
153.09013	1.1
155.08566	1.7
157.10147	7.5
159.08067	1.3
159.11685	14.1
161.09705	1.2
161.13234	5.5
163.11176	4.6
167.87216	0.9
169.10172	2.3
171.11722	3.5
173.02098	1.1
173.13263	6.5
175.14815	4.7
177.12744	2.3
179.14279	1.6
183.11748	4.0
184.07312	15.5
185.13231	13.7
187.11227	1.9
191.14285	2.1
197.13329	1.2
198.05301	1.8
201.16365	1.7
203.14336	10.4
213.16402	1.2
215.17929	1.5
216.06413	2.5
219.17491	8.3
221.15369	2.0
223.84315	0.9
235.16689	1.1
239.17917	7.1
241.19499	1.1
257.19025	10.3
275.20050	27.5
277.18079	3.8
293.21191	1.2
300.23282	1.6
306.07220	1.0
315.94470	1.0
318.24298	3.4
331.18835	2.0
331.22650	28.6
332.23001	2.0
349.23730	100.0
350.24088	5.7
375.68765	0.9
398.10233	1.1
429.20532	1.7
447.21631	2.3
447.55176	0.9
472.24405	5.1
490.25320	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	490.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97057	0.5
53.03937	1.3
54.62658	0.7
55.05507	16.8
57.07076	8.8
58.06590	4.7
67.05498	4.9
68.05841	1.2
69.07064	14.5
70.06579	1.7
70.07847	0.6
71.08624	2.3
72.08143	0.7
79.05481	2.5
81.07082	2.8
83.04974	100.0
83.08616	1.3
84.05280	0.6
85.10189	0.9
88.07605	1.0
89.06022	1.7
91.05470	2.5
93.07047	2.1
94.07397	0.7
95.08600	2.2
97.10170	0.8
98.99963	0.9
105.07024	4.2
106.07356	1.1
107.08604	1.5
109.10124	2.7
110.10477	0.7
115.07561	2.4
119.08576	2.2
121.06511	0.7
121.10108	1.0
124.08746	0.8
126.99432	0.8
129.01047	1.9
132.08920	1.0
133.10136	1.5
135.11684	0.9
141.01022	2.1
148.12018	0.6
155.02617	1.0
159.11804	0.7
173.13252	0.7
197.07278	5.4
238.83022	0.6
280.16592	1.7
296.33105	32.7
334.09332	1.3
340.35596	2.2
362.16385	1.4
380.30960	0.8
398.31384	1.7
408.16855	13.6
409.89920	0.6
417.97882	0.7
472.35211	0.6
489.36169	0.9
490.21112	1.2
490.36301	6.9
490.44565	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3572
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03939	2.0
55.01863	2.5
55.05507	18.0
57.03422	3.7
57.07070	7.1
58.87877	1.8
65.03927	2.3
67.05497	52.3
69.07058	13.6
70.06583	1.8
71.04977	2.1
71.59616	3.4
79.05486	31.6
81.07048	36.1
83.04987	4.0
83.08621	6.4
85.06540	2.3
87.04470	5.3
89.06027	15.5
91.05474	25.9
93.07038	31.1
95.04973	4.8
95.08596	25.5
97.06548	3.7
97.10173	6.2
97.35283	1.4
99.08028	1.6
103.05474	3.6
105.07024	54.9
107.08591	20.1
109.10154	26.0
111.08119	3.0
112.92290	1.6
117.06998	11.2
119.08574	36.6
121.06513	3.3
121.10141	12.8
123.08076	2.1
123.11738	1.9
125.09633	2.6
128.06213	1.6
129.07034	6.3
131.08554	23.7
133.08604	4.0
133.10112	14.5
135.11653	7.3
137.09634	2.0
141.06924	1.6
142.07799	1.6
143.08508	7.5
145.10120	17.8
147.11678	14.6
149.09619	2.3
149.13298	4.1
150.34747	1.7
153.50447	1.7
155.08583	5.1
157.00691	1.5
157.10132	9.2
159.11661	10.5
161.13283	7.3
163.14807	2.0
166.07680	1.7
169.10112	4.0
171.11610	7.6
173.11748	4.8
173.13301	8.6
175.14749	2.1
183.11742	5.3
185.13261	6.3
187.14929	6.2
195.11658	1.9
197.13284	4.3
199.14877	3.6
201.16331	2.8
208.02792	2.2
209.13367	1.5
211.14853	3.9
213.14719	2.1
213.16536	2.0
223.11275	3.8
255.21011	2.3
259.20551	3.3
281.81253	1.5
285.22003	2.8
299.23624	3.0
311.23663	2.2
317.24640	1.9
323.24033	1.6
363.25217	2.3
377.26968	4.6
379.30075	12.8
397.31027	19.2
415.32098	6.5
429.90271	1.8
471.34738	15.2
489.35822	100.0
490.35898	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	489.3572
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
53.03941	9.3
55.01868	7.9
55.05262	6.7
55.05509	56.9
57.03438	6.4
57.07072	11.5
61.34037	3.8
65.03944	4.3
67.05170	7.7
67.05505	93.4
67.22314	3.6
69.07072	65.8
70.84818	10.3
70.85138	4.1
71.04993	11.3
71.08632	23.2
73.29500	4.1
76.39738	4.3
79.05485	67.2
81.07059	100.0
83.04948	6.4
83.08621	31.5
85.06558	7.3
85.10186	5.0
91.05476	70.8
93.07046	60.4
95.04980	22.4
95.08598	63.7
97.06516	9.6
97.10146	22.2
99.08109	13.6
105.07035	58.0
107.04929	9.4
107.08585	48.3
109.06511	10.2
109.10159	31.9
111.08078	7.6
117.07018	20.5
119.04942	6.6
119.08582	46.8
121.06507	12.8
121.10112	28.8
123.08035	7.8
123.11726	16.2
125.09638	5.2
125.35204	4.4
129.07022	17.4
131.08563	43.1
133.06529	6.4
133.10132	33.0
135.08003	5.7
135.11713	15.2
141.07106	5.9
143.08577	22.8
145.06526	4.6
145.10112	32.7
147.04460	32.2
147.08049	4.7
147.11694	23.7
149.01180	4.8
149.06024	13.1
149.13280	9.8
151.11205	18.6
155.08614	9.5
157.10159	13.1
159.11719	15.4
161.09639	8.6
161.13283	10.5
163.11185	7.9
165.12749	7.5
169.10175	4.6
171.11671	5.7
173.09673	6.4
173.13275	8.9
177.12720	9.0
183.11711	5.5
185.13278	10.7
187.14801	8.2
189.11095	4.6
189.12726	5.8
197.13374	6.1
199.14806	8.7
211.14717	6.4
213.16298	6.5
217.19554	6.1
223.13150	7.6
265.21643	9.0
275.16446	14.7
277.21674	12.6
291.87189	4.1
303.23132	5.2
317.24850	7.1
319.22678	5.6
323.23615	4.7
329.24786	4.6
334.20914	4.3
369.19888	4.5
375.25250	6.1
407.33102	4.6
417.31558	6.0
425.34262	8.7
435.32581	19.6
443.35239	10.5
453.33658	47.2
461.36557	5.9
471.34879	93.7
489.35889	97.0
490.36133	6.9
507.12332	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	489.3572
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03932	3.1
55.01869	1.5
55.05262	1.2
55.05510	17.7
57.03427	6.1
57.07061	2.9
59.04992	1.8
61.07503	1.1
65.03922	3.8
67.05502	58.3
67.13365	1.2
69.07066	16.4
71.04985	2.4
77.03892	1.3
79.05489	35.2
81.06570	2.1
81.07053	40.8
82.07369	1.3
83.04958	10.6
83.08614	9.1
85.06538	2.9
85.23448	1.6
85.41565	1.0
91.05475	29.6
93.07041	38.6
95.04958	4.6
95.08603	30.1
97.06530	3.3
97.10152	4.5
98.20758	2.2
99.08085	1.3
105.07025	29.7
107.08580	18.4
109.06510	1.8
109.09444	2.1
109.10150	28.0
111.08090	2.0
117.07010	12.7
119.08572	32.2
121.06458	1.4
121.10143	17.2
123.08012	2.0
123.11706	2.2
125.09599	1.6
129.07008	6.6
131.08565	20.4
131.24229	1.2
133.10117	21.7
135.08041	1.4
135.11691	9.5
137.09631	1.4
139.11154	2.5
141.06976	1.9
143.08530	7.7
145.10109	19.3
147.11691	15.7
149.09607	2.6
149.13264	4.7
155.08549	3.6
155.10649	1.3
157.10123	6.2
159.11673	17.0
161.13214	10.2
163.14886	1.4
169.10187	5.9
171.11633	7.5
173.11742	5.2
173.13277	11.3
175.14862	3.9
181.10147	1.7
183.11633	6.3
185.13254	5.1
187.14746	6.0
191.14259	1.4
195.11870	1.7
197.13217	2.1
199.14786	3.9
201.16365	3.0
211.14880	2.8
213.14716	2.3
213.16498	2.7
219.91522	1.1
225.16327	2.0
227.18121	1.9
239.17775	2.2
243.21153	1.3
255.20982	1.6
259.20715	1.9
261.22092	2.9
271.20651	2.8
273.22375	1.4
285.22159	3.5
289.21719	1.7
299.23767	1.8
303.23111	1.7
315.23157	1.4
315.26840	1.2
363.25519	1.5
374.74292	1.1
377.26794	3.3
379.29895	10.5
397.30884	18.9
408.17038	1.4
415.32376	3.7
433.32889	1.9
439.96973	1.2
471.34671	14.0
489.35730	100.0
490.35919	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3573
Annotation	Cimigenol
Peak:m/z	Relative Intensity
51.50273	1.0
53.03938	1.4
53.25326	1.0
55.01853	1.1
55.05511	15.9
57.03434	5.2
57.07072	5.3
59.05001	1.9
60.42188	0.9
65.03945	2.7
67.05499	54.1
69.03414	1.4
69.07062	16.5
70.01996	3.4
70.06598	1.1
70.24501	0.9
71.04989	1.6
71.08620	1.3
79.05486	27.9
81.07052	34.9
83.04996	2.3
83.08620	7.4
85.06538	1.7
89.06026	6.3
91.05476	26.0
93.07040	31.8
95.04960	5.0
95.08605	22.9
97.06516	2.9
97.10178	5.0
99.08083	1.3
105.07021	23.7
107.08591	18.4
109.06540	1.4
109.10146	25.7
111.08058	1.4
115.05436	1.4
117.07008	8.1
119.08571	30.7
121.06526	1.0
121.10139	15.8
123.08051	1.3
123.11648	1.8
125.09594	1.4
128.06161	1.2
129.07028	5.1
130.07779	1.0
131.08565	18.3
133.10117	14.6
135.11678	8.8
137.09607	1.8
139.11163	3.3
141.06998	1.3
143.08548	7.7
145.10117	16.7
147.11693	13.6
149.09697	2.0
149.13234	3.2
155.08546	3.0
157.10155	5.0
159.11684	11.4
161.13257	6.7
163.14899	1.9
167.08662	1.0
169.10100	2.6
171.11699	6.8
173.11737	6.9
173.13284	9.3
175.14830	3.0
183.11707	3.8
185.13292	4.9
187.14853	4.1
195.11859	1.3
197.13281	3.2
199.14850	2.8
201.16429	2.1
211.14850	1.4
213.14801	2.6
213.16539	2.0
225.16426	1.5
227.18013	2.0
239.18123	1.3
241.19568	1.9
243.21107	1.2
253.19685	1.4
259.20544	3.2
261.22180	2.9
271.20328	1.1
285.22040	2.6
287.24057	1.1
299.23688	2.2
303.23160	1.7
305.24683	1.2
311.23639	2.0
313.21970	1.3
315.23398	1.2
317.24829	2.2
329.24670	1.3
329.50079	1.1
363.25354	2.1
377.26614	2.4
379.29932	10.8
391.28284	1.8
397.31052	17.8
415.32272	4.4
433.33453	1.3
435.32977	1.2
471.34665	14.8
489.35718	100.0
490.35760	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3572
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.03932	2.6
55.05262	1.5
55.05507	19.9
57.03425	4.1
57.07056	3.2
59.04984	2.7
65.03923	2.8
67.05499	79.2
68.55624	1.0
69.03400	1.1
69.06712	1.2
69.07062	15.2
69.67213	5.8
71.04977	3.5
71.08626	1.0
79.05485	34.6
81.03419	1.0
81.07050	40.8
83.04971	1.9
83.08627	9.4
85.06526	2.1
91.05474	24.8
93.07037	37.2
95.04971	4.4
95.08600	26.7
97.06519	2.4
97.10155	3.5
98.21461	2.0
101.16072	0.8
105.04569	1.1
105.07021	22.2
107.08586	19.7
109.06509	1.8
109.10148	44.3
111.08057	3.8
116.06279	0.9
117.06992	8.9
117.11209	1.0
119.08569	25.9
121.10123	15.0
123.08071	2.1
123.11681	1.5
125.09606	1.7
128.06203	0.8
129.06984	5.5
131.08562	17.3
133.10124	15.1
135.11665	12.1
137.09621	3.1
137.13281	1.2
139.11179	2.2
141.07007	1.2
143.08551	6.3
145.10107	15.4
147.11655	12.1
149.09595	1.1
149.13226	5.9
155.08556	2.7
155.10620	2.9
157.10150	5.2
159.11670	9.4
161.13254	7.1
163.14807	1.1
169.10117	3.2
171.11681	6.1
173.11720	11.6
173.13260	8.7
175.14833	3.5
183.11674	3.6
185.13219	4.2
187.14813	3.9
195.11670	1.3
197.13274	2.5
199.14836	3.2
201.16425	1.2
209.13272	1.6
211.14937	2.5
213.16440	1.2
217.15918	1.1
225.16425	1.2
231.17551	1.2
239.18004	1.5
241.19637	1.1
253.19627	1.2
259.20499	1.7
261.22195	3.1
273.22269	1.3
285.22049	2.3
287.23721	1.9
299.23642	1.2
303.23297	1.3
317.24838	1.1
333.24161	1.1
363.25171	1.2
377.26846	2.1
379.29889	8.2
391.28632	1.6
397.30945	12.6
415.31979	4.2
433.33026	1.6
471.34744	11.4
489.35706	100.0
490.36240	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	489.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	17.5
57.03442	50.8
57.07078	100.0
60.03198	5.6
60.70620	5.0
61.35191	5.2
67.05508	70.4
69.03422	29.2
69.07066	35.3
71.01347	20.8
71.08627	75.5
71.58722	5.3
71.59145	7.7
73.02918	31.8
77.24135	5.5
79.05506	12.7
81.07058	68.9
83.01318	5.7
83.08613	48.5
85.02911	84.3
85.10176	44.2
91.05471	5.9
93.07047	19.8
95.01332	11.4
95.08613	77.3
97.02890	73.1
97.06525	6.0
97.10165	18.1
101.02381	9.0
103.03953	23.6
104.19605	5.3
105.07004	5.9
107.08557	9.3
109.10162	52.2
113.02366	42.9
114.54758	5.2
115.03938	10.9
118.13117	6.1
119.08640	7.7
121.10194	6.1
123.00726	8.3
123.11715	25.6
131.03392	21.9
137.13286	12.5
141.01791	28.6
145.10106	7.4
152.95366	6.2
159.02866	11.5
169.04964	10.7
172.95157	6.3
173.11620	6.5
186.96823	13.8
188.97243	6.8
197.04454	6.3
204.97844	17.2
206.18799	6.0
215.05472	13.7
221.22624	7.9
232.36052	6.6
233.06688	6.7
239.23749	39.4
257.24905	7.2
313.27438	74.0
327.28925	9.1
355.28494	7.9
461.94150	7.1
466.35718	6.2
471.30319	8.3
475.20352	11.1
489.24841	6.1
489.31799	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.2
55.01864	7.6
55.05516	30.0
56.24759	4.6
57.03168	4.9
57.03428	20.2
57.07066	7.2
59.05000	33.6
61.02903	4.2
62.06081	11.3
67.05511	37.2
68.22742	4.2
69.03411	5.7
69.07080	32.8
70.06619	23.2
71.04987	24.0
71.08626	6.2
71.59379	5.9
72.08186	8.2
79.05496	41.0
81.03431	5.6
81.07060	41.2
83.08607	21.9
84.08128	11.8
85.06528	5.0
86.06028	4.2
86.09696	16.0
91.05476	53.2
92.05791	6.8
93.07039	54.9
95.04955	17.2
95.08611	49.1
97.06519	9.5
97.10180	10.8
98.98444	21.9
105.07033	44.7
107.04962	38.2
107.08587	39.6
109.06531	24.8
109.10162	33.3
109.81373	4.9
111.08075	9.7
113.09621	34.5
117.07012	16.8
118.07353	5.9
119.04925	10.9
119.08557	32.1
120.08107	5.3
120.08940	7.3
121.06473	14.6
121.10170	12.1
123.08061	8.8
123.11678	8.2
125.09641	7.9
125.13231	5.0
128.06239	5.8
129.07004	13.6
131.08607	29.4
132.08922	8.2
133.06450	16.6
133.10135	26.1
135.08052	17.3
135.11714	11.7
137.05994	6.0
137.09637	7.5
137.13243	9.6
143.08545	16.6
145.06453	8.4
145.10118	21.8
147.08055	14.6
147.11630	9.6
148.80632	4.3
149.09618	8.4
149.13173	6.2
151.11272	5.1
153.12711	14.4
155.08510	11.8
157.06470	5.4
157.10117	19.9
159.08089	13.3
159.11719	16.8
161.05943	9.8
161.09642	16.0
161.13231	6.8
163.07539	6.8
169.10039	9.5
171.08023	6.6
171.11708	10.7
173.02115	6.1
173.09602	10.2
173.13239	8.6
175.07573	5.0
175.14780	6.8
179.61842	5.3
181.10132	7.3
183.08125	6.2
183.11647	11.9
184.07304	10.1
185.09531	10.5
185.13277	12.5
187.11205	6.4
187.14886	5.6
189.09079	15.4
191.14297	5.4
195.11627	8.0
197.09531	6.1
197.13182	6.6
199.11235	8.2
199.14845	6.7
201.09113	7.4
201.12701	16.2
202.13084	6.1
203.14195	5.9
205.08566	7.3
211.11235	5.9
213.16385	5.0
215.14243	4.8
217.15810	7.6
218.16141	9.3
219.13876	5.0
227.14636	5.0
237.16403	7.2
238.16887	7.5
243.13797	7.2
245.15388	9.1
255.13634	6.5
256.17780	13.8
259.16925	8.3
265.15845	6.8
273.14819	17.2
273.84329	4.9
274.18738	19.4
281.15311	6.1
299.16486	7.3
301.14810	9.1
301.17978	100.0
317.17432	15.1
323.20096	5.7
331.22647	8.4
347.22168	8.2
348.22559	42.8
349.23712	24.8
351.19672	8.8
369.20883	9.4
417.27829	16.6
435.28757	32.9
453.29993	63.0
471.30853	19.5
489.32059	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	489.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.1
55.05513	30.1
57.03447	28.0
57.03668	5.2
57.07076	80.3
63.23129	5.0
65.94203	5.3
67.05178	6.9
67.05508	100.0
68.43635	4.8
69.03423	15.3
69.07090	31.2
70.77723	12.2
70.78056	8.5
71.01354	31.5
71.05006	8.4
71.08637	48.0
73.02922	31.0
79.05470	27.5
81.07059	53.6
83.08621	32.9
85.02908	59.6
85.06505	5.0
85.10188	18.2
86.79120	5.5
87.04478	12.3
91.05479	19.6
93.07058	27.4
95.01337	16.2
95.04947	5.3
95.08618	68.6
97.02896	31.9
97.06555	7.6
97.10184	12.8
101.02383	5.2
103.03948	11.6
105.07033	14.7
107.08567	17.3
109.10150	59.6
111.11769	7.8
113.02374	31.0
117.05589	5.2
119.08594	12.7
121.10096	10.1
123.11720	12.6
129.85181	4.8
131.03419	19.2
131.08572	13.8
133.10152	6.5
135.11688	7.9
137.13405	5.9
141.01837	35.7
145.05011	8.0
145.10129	8.6
147.11676	5.4
150.17397	5.7
157.10083	6.2
159.02902	13.7
159.11647	8.7
169.04942	6.9
173.11781	11.8
173.13167	7.9
181.55960	5.4
213.14867	17.2
215.05524	12.8
229.23871	5.0
239.23726	40.0
257.24786	9.5
311.51852	6.3
313.27383	67.5
489.29492	8.1
489.36563	38.7
505.45428	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	489.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88161	1.4
53.03937	5.8
55.01861	5.8
55.05262	1.6
55.05508	22.1
56.62305	1.1
56.66893	1.4
56.96550	2.4
57.03419	6.4
57.07064	6.2
61.02915	2.5
65.03922	3.8
67.05500	53.0
69.03414	4.2
69.07062	22.2
71.04985	2.9
71.60576	2.3
73.02909	2.3
73.06546	1.3
75.86309	1.2
79.05488	61.6
81.03406	8.6
81.06571	3.0
81.07050	55.4
83.04984	10.5
83.08610	11.1
85.02886	2.7
85.06532	2.4
89.05962	1.5
91.05476	40.3
93.07038	71.3
94.46879	1.3
95.04961	19.4
95.08601	54.4
97.02872	4.2
97.06513	7.3
97.10165	3.2
98.98456	15.0
99.04449	4.0
99.33253	1.6
103.05446	4.3
105.04462	2.4
105.07028	28.8
106.38487	1.8
107.04939	15.3
107.08583	42.2
109.06508	7.9
109.10153	8.1
111.08099	1.9
115.05433	2.3
115.07555	3.1
117.07020	14.7
119.08567	24.4
121.06522	8.2
121.10134	18.9
123.08067	3.8
123.11668	2.3
125.01537	2.1
125.05978	4.5
128.06209	2.6
129.05482	1.7
129.07001	9.4
130.07770	2.2
131.08583	5.1
133.06453	1.6
133.10120	10.1
135.08087	2.9
135.11688	46.4
143.08571	5.2
145.09024	2.5
145.10115	33.5
147.11703	14.2
155.01045	15.9
157.10147	1.8
159.11684	3.3
160.99170	2.5
161.09566	2.9
161.13251	6.4
163.11168	57.2
168.08229	1.7
171.11639	13.2
172.95198	2.3
173.13290	1.8
181.12227	16.1
189.11281	1.5
189.12796	5.4
192.49657	1.3
197.07274	3.9
207.13757	11.4
209.11626	2.1
225.14761	1.8
227.12761	100.0
228.13310	1.9
229.04782	1.7
243.21091	5.3
245.15486	1.5
261.22165	6.5
294.10031	5.5
317.18137	1.6
317.24847	2.3
335.25790	16.8
442.91553	1.8
471.18207	4.1
471.25043	2.7
489.28275	36.3
509.24075	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29684	1.5
54.53878	1.3
55.05499	2.6
56.05025	4.4
58.06603	1.8
60.04513	4.7
69.07052	3.2
70.02949	1.9
70.06592	41.7
70.92734	1.5
71.06918	2.9
72.07800	2.1
72.08154	24.8
73.08481	2.2
79.05515	1.8
81.81417	1.3
83.06094	2.8
84.04506	14.2
84.08143	22.7
85.02875	2.5
85.07649	2.8
85.08453	1.8
86.06054	2.9
86.09217	2.4
86.09705	31.3
87.05603	9.2
87.10027	2.0
88.04005	2.6
91.05468	1.7
95.06055	1.8
95.75030	1.4
98.06097	1.6
98.21541	3.0
101.07143	2.6
102.05538	4.3
102.62136	1.4
107.04952	100.0
108.05277	4.9
110.07155	11.6
110.98157	1.2
112.08739	2.2
115.08757	1.4
116.07072	5.1
120.08106	24.3
127.04982	2.2
127.08621	1.9
129.10246	10.5
130.05014	3.0
130.08585	1.9
133.06303	1.6
136.07559	2.3
141.10201	1.7
146.06068	3.2
147.04381	2.5
148.06056	2.2
156.07698	1.8
169.09723	1.4
175.11937	2.3
184.07367	2.5
201.12283	2.5
215.13921	3.0
229.75938	1.7
243.13411	3.6
247.13075	3.5
301.11743	3.4
338.70456	1.5
338.94519	1.4
341.75674	1.8
471.14142	2.6
489.14859	11.5
490.27054	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	489.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.1
55.05512	14.9
57.03432	19.6
57.07066	4.2
65.03929	4.0
67.05499	63.7
68.47280	1.5
69.07069	14.8
70.84706	2.5
70.85069	4.0
74.86018	1.6
76.47515	1.4
79.05490	45.1
81.07052	70.1
83.08611	7.0
91.04951	2.5
91.05476	26.5
93.06463	2.8
93.07037	52.3
95.04951	6.0
95.08600	53.9
97.06510	2.8
97.10152	3.3
98.98458	84.9
99.08076	2.2
105.07003	24.3
107.08582	34.2
107.91747	1.4
109.06525	1.8
109.10141	26.2
111.08041	2.3
113.09662	1.9
116.99471	4.3
117.07005	9.8
119.08576	19.1
121.10130	26.2
123.11691	7.3
129.07011	2.6
131.08571	16.2
133.10115	14.2
135.08006	2.0
135.11676	21.7
136.99988	5.9
137.13229	5.1
143.08504	2.5
143.60326	1.7
145.10106	16.2
147.11674	14.0
148.16228	1.4
149.09538	1.6
149.13245	14.3
151.14752	2.1
155.01027	75.1
159.11691	12.2
161.13293	8.7
163.11201	2.8
163.14833	11.3
173.02156	1.5
173.13274	13.1
175.14801	5.2
177.16406	3.8
179.14233	2.1
187.14816	6.2
196.03693	1.5
201.16338	2.9
211.03629	6.1
229.04672	6.1
233.22568	3.3
243.21082	25.0
261.22113	41.8
275.20035	2.0
277.21695	1.4
291.01981	1.7
299.23669	2.1
317.24713	19.2
320.37103	1.5
335.25772	100.0
336.26041	2.3
378.39157	1.7
415.22284	3.1
419.17862	2.2
420.18082	9.1
438.19147	2.2
471.25058	14.2
489.35263	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.01876	0.8
56.57342	0.7
59.06120	1.2
60.04524	1.1
69.03419	0.7
70.06582	4.5
71.59694	0.7
72.08147	3.1
73.02888	0.8
79.05482	1.1
81.03390	1.0
83.06092	2.6
84.04495	4.7
84.08141	2.9
85.02905	1.3
86.06065	0.9
86.09711	3.9
87.05584	10.1
87.09244	0.9
95.04954	2.5
96.37868	0.6
97.02917	1.3
101.07101	0.7
102.05564	0.8
106.09850	0.6
107.04946	100.0
108.05263	4.6
109.05628	0.6
109.06533	0.9
110.07160	1.3
119.04917	1.1
119.55586	0.7
122.02682	0.8
123.04408	1.5
124.02170	0.7
129.06543	0.8
129.10231	1.4
130.05013	3.3
146.06003	1.5
148.06056	0.8
153.06616	0.8
164.07045	0.8
165.05463	22.3
197.12967	0.6
199.07138	2.7
221.11707	5.2
243.13414	1.3
247.12953	1.1
249.05408	7.1
251.06953	2.2
296.98795	0.8
321.07941	0.7
348.28302	0.8
361.49188	0.7
412.07196	0.7
471.17755	3.5
489.15079	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
55.01845	0.5
55.05506	1.3
56.05045	3.0
57.03428	1.1
57.05786	0.6
60.04523	3.2
61.02936	0.8
68.05018	1.1
69.03445	2.9
69.07056	1.8
70.02953	1.5
70.06593	19.9
71.00538	0.5
71.04984	1.6
71.58136	0.6
72.07800	0.9
72.08157	8.1
73.02921	1.5
73.04043	0.6
74.06078	1.4
79.05480	1.2
79.28150	0.5
80.04980	0.7
81.03419	3.3
83.04993	0.6
83.06107	1.1
84.04505	6.4
84.05601	1.4
84.08144	8.8
85.02904	1.1
85.04059	0.5
86.09708	21.0
87.05584	2.8
87.10051	1.5
88.03987	1.3
91.05471	1.1
93.04496	0.7
95.04955	1.1
96.05589	1.3
98.06061	2.3
99.04449	3.4
99.05571	0.6
101.07148	1.2
102.05540	2.7
103.05447	0.6
104.10709	0.8
107.04953	34.4
108.05310	0.6
110.07153	4.0
112.05132	0.5
112.08732	1.2
113.07156	0.9
114.05524	1.1
115.05007	0.7
115.08638	0.9
116.07089	1.7
117.05494	1.4
119.04935	1.0
120.08107	2.4
124.05072	2.1
127.08626	0.6
129.10228	6.2
130.04982	1.4
132.10207	0.7
133.06209	0.8
134.08145	3.3
136.07547	1.9
138.06630	0.7
141.06606	0.8
141.10216	0.8
142.04857	2.0
143.05640	6.1
144.04092	0.8
147.04323	0.7
148.06010	0.7
152.09203	2.7
155.05634	6.3
159.07657	0.7
167.05646	1.8
167.21567	0.5
170.09399	0.5
171.07603	1.1
171.74046	0.5
184.07365	1.9
189.08707	1.6
201.12387	2.0
215.13904	1.1
217.08212	1.3
228.13504	0.9
229.11800	1.1
241.09296	1.2
242.07684	1.3
243.13350	1.3
259.10410	1.9
260.08868	2.2
261.14465	1.6
275.09778	1.1
277.11435	100.0
278.11798	1.6
282.08224	0.6
309.17859	0.6
383.15579	9.2
445.33041	0.5
489.19809	1.1
489.27042	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
57.03421	1.7
60.04522	1.8
64.68862	0.9
65.03939	1.1
69.03432	3.9
70.06585	7.4
71.59482	1.4
72.08160	3.6
74.02453	0.9
79.05496	2.3
81.03410	3.4
83.04980	1.9
83.06082	1.4
84.04515	3.4
84.08131	2.6
85.02896	6.2
86.09714	6.6
87.05592	2.8
91.05491	3.2
93.07033	2.1
94.06554	1.1
95.04945	2.4
97.02900	3.8
102.05582	0.9
103.05483	1.1
105.84450	1.1
107.04954	100.0
108.05294	1.6
110.07171	2.1
111.04460	4.7
118.06561	3.7
119.04945	9.9
120.08091	1.2
121.06503	13.9
122.06040	1.9
127.03958	1.8
129.10205	1.5
130.05055	1.9
130.06529	25.2
132.04478	4.5
132.08124	3.2
134.05991	5.0
136.07573	6.8
144.08089	10.4
145.07593	6.0
146.06007	14.2
147.04385	1.8
148.07570	28.4
154.06522	2.3
156.08064	1.3
157.07617	18.0
158.06012	28.5
159.09175	6.3
160.07578	5.0
165.05478	11.9
167.07413	1.4
168.08067	1.0
169.07622	5.8
170.06071	1.9
171.09148	5.0
172.07545	7.6
174.05528	2.8
175.08661	17.1
176.07121	1.4
180.06557	7.6
182.08389	2.1
183.09180	10.4
184.07649	1.6
185.07124	4.1
186.05507	1.4
186.09187	1.4
187.08719	1.4
188.07114	3.5
192.06561	8.4
195.09160	1.9
199.08696	3.0
200.07094	5.4
203.08151	24.6
204.06581	1.2
207.09360	1.2
209.07115	2.8
215.08115	1.5
216.06616	1.3
217.09727	8.5
219.11249	1.2
221.09215	16.8
221.11429	1.9
222.09348	1.0
225.10306	1.4
227.08107	3.0
228.06671	2.5
231.07655	1.9
238.08566	3.3
245.09230	5.8
251.07289	1.2
259.10300	1.3
263.10275	14.3
267.11273	1.4
275.11835	1.4
277.11295	1.5
280.11899	2.3
285.12418	1.2
289.13528	4.4
292.11783	22.1
299.10428	1.2
304.11850	1.1
309.12296	1.7
310.12875	2.9
321.14426	1.9
329.11273	1.0
339.15710	1.8
347.12317	2.9
348.10721	2.4
360.60648	1.0
365.13406	13.4
383.14459	18.7
383.19098	1.4
471.17639	6.6
489.18692	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	488.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	1.0
57.07067	1.9
67.05502	0.7
69.07051	1.4
69.48219	1.9
69.48634	4.2
77.21252	0.7
81.07030	0.8
83.38269	0.8
89.06020	2.5
91.05459	0.8
105.07018	1.5
109.10173	0.9
114.09191	0.7
144.47050	0.6
231.25612	0.8
263.99741	0.9
273.01105	3.8
274.01840	1.5
277.00592	4.4
278.01355	2.3
287.99423	0.8
291.02063	29.0
291.81055	0.7
292.02786	6.8
305.03726	2.2
306.04288	1.7
309.03101	5.4
309.47803	0.7
314.03772	1.7
337.28766	0.7
358.09479	1.0
365.14395	5.4
383.15707	1.5
387.72894	0.7
401.16577	9.8
406.17255	1.1
419.17719	100.0
420.18192	2.0
424.18246	4.2
437.18814	33.8
438.19342	1.4
442.19287	32.6
443.20026	0.9
447.19873	1.4
460.20554	2.9
465.15750	2.1
465.21011	2.8
488.23340	1.1
488.42990	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	487.3418
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
55.01875	8.1
55.05506	45.9
55.91487	5.0
57.03420	6.6
57.07069	5.5
62.16398	4.4
65.03954	4.7
67.05508	65.6
69.07069	35.4
70.28055	24.1
70.79503	4.3
71.05001	6.8
79.05495	45.8
81.03416	8.9
81.07059	85.5
83.04988	11.3
83.08601	24.0
85.02901	7.1
85.06543	8.7
91.05486	61.1
91.73209	4.9
93.07043	42.4
95.04986	11.7
95.08620	42.8
97.06541	18.3
97.10181	13.1
97.41154	4.4
105.07033	66.6
107.04935	11.5
107.08607	38.0
109.06519	16.5
109.10187	32.6
109.10806	5.2
117.07053	27.0
119.08580	57.3
119.19339	4.5
121.06535	8.4
121.10150	20.3
123.08067	10.4
123.11715	16.9
128.06267	8.5
129.07019	26.5
131.08562	46.0
133.06511	8.3
133.10114	41.2
135.00075	4.7
135.08067	6.0
135.11726	13.1
141.06975	10.2
143.08572	28.4
145.06490	6.9
145.10106	27.6
147.08101	8.4
147.11693	54.1
149.09639	8.7
150.75096	4.3
151.11101	6.2
155.08572	16.1
157.10124	27.9
159.11703	21.9
161.40529	5.2
165.12755	16.6
167.08490	4.9
169.10130	16.6
171.11684	15.7
173.09685	6.7
173.13275	10.4
181.10005	6.7
183.11691	19.4
185.13319	12.2
187.11238	6.4
195.11725	6.4
211.14737	5.7
229.14323	9.3
237.12671	6.9
245.15402	8.2
275.20120	13.6
303.19214	6.7
362.44876	6.9
415.29721	6.7
423.32376	7.0
433.31094	20.0
448.61795	5.2
451.32159	41.0
469.33267	64.2
487.34302	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3419
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
55.01877	9.4
55.05513	50.6
56.96561	8.4
57.03433	13.1
57.07080	17.3
61.02916	9.1
67.05503	66.9
69.03442	8.8
69.07067	85.2
70.07403	5.7
71.04992	9.5
71.59752	6.2
72.08140	5.2
73.02922	6.8
79.05488	35.0
81.03420	11.3
81.07065	71.6
83.04977	100.0
83.08614	11.1
85.02918	14.3
85.06537	9.7
91.03948	10.8
91.05480	45.2
92.60421	5.6
93.07043	58.0
95.04969	49.1
95.08609	61.1
97.02878	10.2
97.06551	9.4
105.07032	67.6
107.04942	8.9
107.08606	52.7
109.06524	25.7
109.10175	39.9
115.07597	7.2
117.07033	24.3
118.96698	5.2
119.08578	54.0
121.06506	8.3
121.10143	36.6
121.10932	5.1
123.08054	14.6
123.11695	14.3
125.01540	16.5
125.09643	7.4
127.43967	6.3
129.01013	5.9
129.06998	20.1
131.08572	39.0
133.10089	39.6
135.08136	7.5
135.11707	24.2
141.01059	8.5
141.07002	6.5
142.07753	7.1
143.08548	30.6
145.10118	38.2
147.08055	6.3
147.11659	27.4
149.09598	6.3
149.13284	9.5
155.08571	13.8
157.10129	31.1
159.08200	7.0
159.11720	39.3
161.09663	7.4
161.13264	17.5
169.10156	15.6
171.11693	27.4
173.13248	22.5
181.10118	7.0
183.11739	13.3
185.13324	14.8
187.14819	16.5
189.12688	6.7
192.93869	7.6
193.12210	7.4
194.93456	11.4
195.11705	7.1
195.34706	6.4
197.07257	12.3
197.13391	9.3
199.06931	7.5
199.14883	9.4
201.16397	7.2
206.43575	6.5
207.13823	7.9
211.14851	9.9
213.16418	11.5
217.15819	7.5
225.16351	6.8
279.35339	5.9
332.46106	6.0
349.17276	6.5
362.04584	5.9
395.29376	13.3
451.32083	13.0
469.33105	39.7
487.34363	97.7
488.02914	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	487.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54379	4.0
53.03933	5.1
54.88660	3.7
55.05503	20.1
56.96555	18.0
57.03422	12.2
57.07066	9.9
59.04994	6.0
61.02919	22.0
65.03931	4.5
67.05500	52.4
69.03425	12.6
69.07074	27.1
69.07388	4.7
70.06581	9.6
70.19128	20.2
71.04964	6.4
73.02893	11.0
79.05485	62.0
81.03421	18.6
81.07053	91.1
83.04988	21.9
83.05392	4.6
83.08627	8.1
84.08091	4.1
85.02907	21.5
85.06531	5.2
91.03953	8.2
91.05470	50.7
93.07043	56.8
95.04955	21.0
95.08023	7.3
95.08593	61.8
97.02871	14.9
97.06500	11.0
99.04473	7.2
105.07011	60.7
107.04932	22.5
107.08580	53.3
109.06492	19.1
109.10152	32.4
111.08060	10.4
115.05423	4.7
117.06998	15.5
119.08561	49.8
121.06491	13.2
121.10138	34.9
123.08049	11.0
123.11655	6.0
125.01546	5.7
125.09660	7.1
127.01236	5.7
127.07539	12.5
129.06996	13.0
131.08537	33.2
133.10121	40.7
135.08008	8.1
135.11665	19.0
137.09563	4.7
142.07738	8.1
143.08516	21.8
145.10114	32.3
146.99663	4.7
147.07954	4.7
147.11714	26.6
149.09648	6.6
149.13193	10.6
155.08539	11.7
156.09340	4.7
157.10135	30.4
159.08017	7.4
159.11722	29.3
161.06033	4.6
161.09628	12.5
161.13226	14.6
163.11130	5.6
167.03674	5.3
167.07123	5.8
169.08549	7.2
169.10114	13.2
171.11659	14.2
173.09657	5.0
173.13261	19.4
175.14771	8.6
179.10602	4.9
183.11697	7.2
185.13254	11.4
187.14828	11.1
189.16492	4.4
191.10661	5.7
193.12164	8.2
195.11707	5.1
197.13278	10.8
199.14792	13.9
201.12701	6.2
201.16479	5.6
207.11772	5.2
213.16389	8.6
215.14285	4.3
217.07402	4.6
219.13933	5.1
221.15309	6.2
233.15300	7.0
241.07478	7.7
243.09114	9.3
255.08960	6.2
259.08542	8.2
267.09027	8.2
269.10666	6.0
285.10016	13.4
287.11584	6.6
301.09485	5.1
316.11639	11.2
324.11584	6.4
327.23053	10.7
345.24173	5.7
349.16913	8.1
365.15625	8.9
367.17892	9.6
368.18384	5.6
399.16330	6.2
433.30975	6.7
443.22348	15.9
451.32153	12.2
469.32892	11.9
487.12247	4.2
487.13464	5.6
487.21457	100.0
487.34381	24.6
488.21732	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	487.3413
Annotation	Acerinol
Peak:m/z	Relative Intensity
51.98618	0.7
53.03936	1.3
54.53181	0.7
55.01848	0.9
55.05505	12.3
56.96559	0.7
57.03416	3.2
57.07064	3.6
59.05001	1.2
61.02914	1.0
64.57184	0.7
65.03948	0.9
67.05501	34.0
69.03436	1.8
69.06718	1.1
69.07066	13.9
69.96062	1.7
69.96466	2.6
71.05002	1.8
79.05485	14.2
81.07053	20.0
83.04963	1.3
83.08608	5.4
85.06533	1.7
87.04427	0.8
91.05474	20.4
93.07035	15.0
95.04924	3.5
95.08602	15.7
95.09164	1.4
97.06522	2.0
97.10185	3.4
97.56016	0.8
99.08102	1.1
103.05478	2.1
105.07028	24.3
107.04955	1.1
107.08582	8.3
109.06478	1.2
109.10150	17.8
111.08088	2.1
115.05486	0.9
117.07003	11.5
119.08571	18.4
121.06491	1.4
121.10120	5.8
123.08085	1.1
123.11705	1.7
125.09600	2.3
128.06250	1.8
129.01018	1.1
129.07018	8.0
130.07771	0.8
131.08559	19.7
133.10120	12.4
135.08054	1.2
135.11708	2.8
137.09595	1.7
141.01051	0.9
141.07024	2.2
142.07780	2.3
142.85643	0.8
143.08545	13.0
144.09306	0.8
145.06448	1.7
145.10110	18.9
147.11687	6.3
149.09583	0.8
149.13324	1.0
155.08537	6.1
156.09285	1.1
156.35263	0.8
157.10112	12.0
159.11679	16.1
160.12001	1.1
161.09612	1.7
161.13289	3.2
163.11089	1.0
167.08540	2.2
169.10187	5.9
171.11700	10.3
173.09558	0.9
173.11743	4.4
173.13272	8.9
175.11084	0.8
175.14854	1.2
179.08562	0.7
181.10132	2.9
182.10942	1.1
183.11681	5.3
185.13235	8.3
187.11290	1.0
187.14815	3.1
188.92403	0.9
189.11267	0.9
193.10298	0.8
195.11638	3.9
197.07298	2.7
197.13199	4.6
199.14857	3.3
201.16315	1.6
209.13260	4.5
211.14793	2.7
213.16354	1.4
221.13300	0.9
223.14830	2.8
225.16342	1.8
227.17796	0.9
229.14339	1.7
237.16393	1.4
241.19569	3.2
243.17363	0.8
245.78296	0.8
251.17906	1.3
253.19684	1.0
257.19070	1.5
259.20547	4.4
261.22134	1.5
265.19791	1.4
267.17487	0.7
267.21021	0.9
269.19070	1.5
271.20563	2.3
275.20084	0.9
275.71066	0.8
283.20609	3.1
291.02039	4.6
292.02841	1.0
297.22229	1.9
299.20020	0.8
299.23834	0.7
301.21680	1.1
309.21902	0.9
309.80267	0.8
313.21701	1.0
315.23254	2.6
367.30014	2.0
375.25186	2.0
377.28345	8.1
389.26767	1.2
395.29474	19.5
401.16464	1.8
413.30588	3.8
419.17755	15.0
431.31747	1.7
433.30777	1.3
437.18774	4.9
442.19189	6.0
451.31738	1.4
469.14185	1.0
469.33185	7.4
470.33270	1.0
487.34174	100.0
488.34448	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	487.3417
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
51.06744	2.1
53.03939	7.3
55.01863	9.0
55.05261	2.4
55.05508	38.2
56.96551	8.0
57.03424	7.6
57.07055	6.1
57.55857	1.9
61.02912	6.8
65.03940	4.7
67.05498	87.8
69.03399	5.9
69.07059	42.1
70.28914	3.9
70.29319	7.2
71.04980	9.0
71.95333	2.0
73.02912	3.8
73.06528	4.4
76.04028	2.2
79.05489	54.9
80.81399	2.2
81.03403	8.0
81.07047	100.0
82.07376	2.3
83.04961	9.2
83.08611	23.0
85.02901	9.9
85.06536	6.0
89.05997	2.4
91.03948	2.8
91.05473	78.0
93.07034	59.8
95.04974	17.1
95.08596	51.2
95.09158	4.0
97.02911	5.2
97.06528	11.6
97.10156	9.2
98.21384	2.5
98.97546	2.7
103.05484	2.6
105.07019	89.8
107.04942	14.4
107.08585	41.2
109.06499	11.4
109.10158	26.0
111.08085	4.7
112.76126	2.3
115.05457	3.4
117.07014	26.4
119.08562	67.7
121.06466	10.6
121.10130	28.2
123.08073	7.8
123.11690	15.2
123.84964	2.0
125.09621	7.0
128.06216	8.1
129.06987	19.0
130.07741	2.6
131.05028	2.1
131.08563	43.6
132.51143	2.4
133.06488	4.7
133.10120	54.9
133.11082	4.3
135.08040	7.7
135.11671	10.4
137.09624	3.9
139.11165	2.9
141.06998	8.4
142.07817	4.9
143.08548	28.5
144.09210	2.3
145.06491	7.9
145.10110	33.9
146.76476	2.1
146.99670	2.7
147.08055	8.6
147.11681	45.6
147.12787	4.0
149.09534	10.0
149.13275	7.7
151.11241	2.4
152.53792	2.1
154.07664	2.2
155.07440	3.0
155.08525	16.6
157.10123	23.5
159.08031	6.4
159.11690	28.2
161.09631	8.6
161.13260	5.9
163.11046	4.3
165.12759	13.8
167.08533	4.1
168.09367	2.4
168.11337	2.8
169.10091	17.9
171.11644	17.6
171.40604	2.2
173.09663	3.8
173.13257	10.0
175.11206	4.7
175.14914	3.6
177.12733	2.8
179.08588	2.8
181.10117	5.9
183.11690	14.5
185.09685	3.0
185.13287	11.2
187.11311	3.4
189.00667	3.3
189.12762	3.0
193.12267	2.7
195.11713	7.5
195.13727	3.8
197.13292	9.3
199.11140	3.5
199.14839	7.5
201.12776	5.4
203.06017	2.2
207.11626	3.0
207.13718	2.4
211.14819	6.4
213.12741	2.9
213.16426	4.4
221.15402	3.1
223.14940	3.1
235.14938	2.5
239.17932	4.0
243.08846	4.2
249.08083	3.0
255.09203	2.5
257.18988	2.6
259.20557	3.8
261.18787	2.6
263.20020	4.6
267.08957	19.0
275.20056	57.7
277.21719	4.4
285.10089	25.1
285.18521	2.1
291.19562	6.6
299.11652	3.3
301.21564	5.2
303.19675	3.2
303.23267	2.6
307.20584	2.9
308.11716	3.2
313.21683	4.3
315.10925	2.3
315.23257	2.6
317.12885	5.5
324.11508	8.1
327.23291	3.0
339.23337	3.1
355.26221	3.2
357.24362	4.1
415.29861	6.0
423.32697	5.6
433.30981	15.2
451.31982	32.4
451.37723	2.8
453.21442	2.4
458.08182	2.2
459.34650	4.7
469.23068	5.9
469.33109	57.8
469.39578	3.3
487.34213	92.0
488.34683	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	487.3413
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
53.03935	5.7
55.01866	12.8
55.05507	46.6
56.96552	8.0
57.03426	5.4
57.07062	10.1
61.02917	4.5
65.03932	6.3
67.05495	75.7
67.05860	4.1
69.03416	8.0
69.07060	54.9
70.06587	3.0
71.04987	10.2
71.59906	4.0
79.05482	55.2
81.03402	9.4
81.07046	68.8
83.04982	9.0
83.08621	22.2
85.02908	11.1
85.06535	6.9
91.03967	4.5
91.05472	66.1
93.07035	48.9
95.04941	18.6
95.08595	45.9
95.09162	3.8
97.02878	8.3
97.06513	17.5
97.10161	18.8
98.98470	2.6
99.04506	3.2
99.08084	3.9
100.11697	2.4
105.07020	60.3
105.07665	4.9
107.04943	20.7
107.08575	34.5
109.02909	3.9
109.06506	10.6
109.10151	19.9
111.08077	5.0
115.05443	4.6
117.06995	34.2
119.04906	2.5
119.08570	47.6
119.09361	4.5
121.06512	9.5
121.10127	23.3
123.08086	8.0
123.11700	9.9
125.08783	3.3
125.09595	15.8
128.06224	4.7
129.07001	24.3
131.08560	41.8
131.09514	3.6
133.06496	8.5
133.10118	32.1
135.08067	7.9
135.11717	12.6
137.09631	5.7
137.40599	2.4
141.07018	7.1
142.07790	5.8
143.08540	30.2
145.06458	5.7
145.10106	36.4
147.08020	5.7
147.11670	23.6
149.09619	13.7
149.13283	5.1
151.11186	4.8
153.09189	3.1
155.08492	11.7
157.06425	2.8
157.10112	21.2
159.08060	6.8
159.11673	24.8
161.09592	4.9
161.13290	5.6
163.11143	5.1
165.12703	3.0
167.08594	6.6
169.10121	15.0
171.11588	18.3
173.09619	3.6
173.13290	11.2
175.11208	5.9
175.14801	3.8
177.12770	3.4
179.08670	4.2
181.10104	8.6
183.11639	14.8
185.09674	3.2
185.13272	12.4
187.11183	5.1
187.14845	4.0
189.11209	6.2
189.16405	3.0
191.14365	2.9
193.10143	3.3
194.93500	5.7
195.11748	8.3
196.99016	2.5
197.07338	3.5
197.13278	12.0
199.14824	6.2
201.12701	2.9
201.16426	3.0
209.13246	6.2
211.14774	6.1
213.16466	4.6
221.13266	2.7
223.14931	3.8
225.16408	3.0
235.14726	4.2
247.17090	4.0
257.19012	4.0
261.18878	3.4
269.10553	3.9
271.17087	3.0
275.20071	30.4
283.20557	4.5
285.10013	4.1
291.19614	2.9
299.20154	3.5
299.23596	4.0
301.21719	15.8
313.21701	2.9
317.21298	4.5
321.22281	4.7
323.00500	2.9
325.12772	2.7
327.23416	4.2
331.15781	3.3
337.25854	3.0
339.23035	4.0
349.16910	6.1
355.26349	3.3
356.14996	5.2
365.15353	3.9
375.25552	3.6
405.31696	3.0
415.28922	5.2
417.26605	3.2
423.32507	4.5
433.31186	19.6
441.33566	4.4
451.32053	37.9
459.34937	4.8
469.33102	58.9
487.34286	100.0
488.02890	5.9
488.34735	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	487.3413
Annotation	Cheiranthic acid
Peak:m/z	Relative Intensity
50.66726	1.1
53.03936	5.6
55.01865	11.1
55.05265	2.5
55.05509	35.2
57.03435	2.8
57.07061	5.6
59.04999	1.6
61.01993	1.1
61.02917	2.2
62.47759	1.3
65.03928	5.2
67.05499	76.9
68.05809	1.6
69.03419	4.2
69.07063	46.8
69.26743	14.8
71.04981	5.8
73.06553	1.8
79.05055	2.4
79.05487	37.9
81.03400	4.8
81.07050	59.5
83.04984	6.0
83.08620	15.0
85.02894	6.6
85.06518	3.7
87.68864	1.1
91.03960	1.2
91.05475	45.9
93.07037	39.5
95.04967	13.9
95.08597	38.7
97.02899	1.8
97.06521	15.3
97.10157	10.6
99.04476	1.5
99.08064	1.8
100.05098	3.1
102.58074	1.2
103.05478	1.5
105.07022	46.7
107.04949	18.7
107.08584	26.4
108.73950	1.3
109.06502	9.0
109.10145	22.6
111.04427	1.3
111.08079	4.6
111.11673	1.2
115.05479	2.1
115.07570	2.1
115.21537	1.3
116.06304	1.3
117.06998	20.3
119.04935	1.6
119.08572	35.6
121.06503	10.6
121.10132	15.3
123.08038	5.9
123.11730	6.2
125.09627	5.5
128.06213	6.0
129.06996	19.8
131.04936	1.8
131.08556	32.5
133.06476	6.9
133.09111	1.6
133.10123	26.5
135.08072	5.2
135.11699	8.4
137.09589	2.9
141.07010	7.6
142.07782	4.2
143.00813	1.4
143.08560	20.2
144.09195	1.8
145.06447	10.6
145.10110	24.7
147.08041	8.2
147.11665	17.0
149.09618	13.7
149.13231	3.5
151.11212	2.9
154.07755	1.7
155.08537	12.3
156.09346	2.0
157.06505	1.7
157.10121	17.0
159.08054	6.0
159.11674	14.8
161.09613	5.4
161.13239	5.1
163.11163	4.3
165.12750	2.5
167.08524	6.3
169.10103	14.7
171.08070	3.1
171.11716	16.5
173.09593	7.3
173.13197	7.0
175.11203	5.6
175.14830	1.7
177.09128	1.2
177.12813	2.0
181.10114	5.7
183.11699	13.0
185.09682	3.3
185.13245	13.2
187.11154	6.2
187.14822	3.6
189.11221	3.0
189.12720	2.9
191.14389	1.4
193.10146	2.1
195.11693	7.6
197.07199	3.1
197.13246	8.4
199.06972	3.8
199.11246	4.0
199.14780	6.0
201.12794	3.9
201.16339	1.6
203.14236	2.6
207.11742	4.0
209.13275	5.4
211.14880	5.4
213.12711	3.3
213.16409	2.6
215.14310	3.0
219.13762	1.4
221.13243	2.5
221.15271	1.9
223.13190	3.1
223.15034	2.9
223.16982	1.9
225.12848	1.7
225.16414	3.7
227.14384	2.7
229.15880	1.3
235.14836	2.9
235.17006	2.6
237.16473	1.6
239.14282	2.1
239.18036	2.1
243.17233	1.5
247.16924	1.4
249.14799	2.6
249.18565	1.3
251.18018	1.4
257.18942	1.9
259.17059	1.4
259.20407	1.4
263.16516	2.0
263.20062	1.6
267.17419	2.2
271.16837	1.7
271.55466	1.2
273.18433	1.8
275.20081	8.7
285.18445	2.2
287.20090	1.6
291.19632	5.4
295.20706	1.5
297.18680	2.3
297.22092	1.6
299.20078	4.5
299.23688	3.3
301.21548	6.8
303.19653	1.4
305.21368	1.6
309.22052	3.5
311.20032	1.7
313.21652	4.6
315.23221	3.6
317.21246	2.5
321.22241	2.4
323.23825	2.0
324.11166	4.1
325.11346	9.8
325.21613	2.9
326.10748	10.5
327.23340	4.8
329.24875	2.7
331.22852	1.8
335.23703	2.0
339.23306	5.4
341.24844	3.0
345.24426	1.6
353.24780	2.8
355.26648	2.3
357.24213	2.3
365.24591	1.9
373.27417	3.1
375.25391	5.0
381.24377	2.2
399.25452	2.1
405.31534	2.1
415.29715	5.0
417.26416	2.9
423.32471	5.3
429.30014	2.8
433.30997	20.5
441.33502	4.4
451.32028	41.6
452.32343	1.7
459.34637	3.3
469.33109	73.7
470.33350	3.9
487.34155	100.0
488.34766	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	487.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	2.3
53.03943	9.5
55.01843	3.6
55.05507	24.1
57.03110	1.1
57.03414	5.0
57.07047	3.9
61.02905	1.8
65.03914	4.3
67.05499	71.4
69.03407	1.8
69.07066	21.8
69.57819	9.5
71.04970	2.8
73.06529	3.0
77.71198	1.2
79.05486	100.0
81.03407	13.4
81.06589	2.9
81.07047	56.5
83.04974	16.0
83.08611	8.9
85.02861	2.0
85.06503	4.0
87.04436	1.2
91.05471	78.7
93.07033	73.3
95.04378	1.8
95.04960	35.2
95.08599	35.1
97.02854	1.9
97.06520	7.6
97.10156	2.9
97.22877	1.2
98.21481	1.8
99.08063	2.1
103.05408	2.8
105.04475	2.9
105.07019	62.9
107.04945	8.6
107.07953	1.8
107.08582	21.2
109.06503	9.0
109.10149	8.7
111.08066	3.4
115.05373	2.4
115.07467	1.1
117.06997	10.6
119.08572	35.6
121.06471	3.6
121.10147	7.4
123.08048	10.5
125.09566	1.7
127.07545	1.6
128.06160	4.7
129.01018	1.8
129.06993	23.1
131.08545	6.5
133.06462	1.5
133.10109	17.2
135.11690	5.8
137.09540	1.7
141.06996	2.2
141.09068	1.8
142.07735	1.3
143.08543	11.9
145.06564	1.4
145.10115	18.3
147.07956	2.9
147.11679	45.4
147.86028	1.2
156.85078	1.3
157.10179	2.7
159.11647	3.1
161.09601	4.1
161.12173	1.6
161.13251	16.9
163.11057	2.0
169.10062	1.5
171.10246	2.2
171.11665	37.6
179.14235	4.9
187.14633	1.4
187.77628	1.2
189.11292	1.9
189.12723	17.7
192.93655	1.8
194.04720	4.2
197.07208	4.4
207.11897	2.7
207.13771	41.6
214.84741	1.3
225.13162	1.2
225.14857	12.7
281.17438	3.9
282.21750	1.2
285.09985	1.6
292.70148	1.1
311.11514	1.1
333.17487	1.9
351.18411	1.9
357.15173	1.7
362.04581	11.1
363.04666	1.6
418.10687	1.9
431.27548	1.4
487.18961	2.1
487.30206	46.1
488.02756	1.7
488.30756	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	487.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.7
55.01878	9.8
55.05510	26.6
57.03438	4.1
57.07075	12.8
61.02926	7.1
64.41422	1.8
67.05499	15.6
68.99780	4.8
69.03070	2.9
69.03427	39.1
69.07065	74.2
69.24801	1.8
70.04066	17.8
70.06582	3.9
71.04986	14.8
71.60006	2.6
71.60373	2.1
72.08149	3.2
73.02914	8.8
76.02217	2.5
79.05490	13.6
81.03415	34.9
81.07054	43.4
83.04976	3.4
83.08617	28.1
85.02905	58.5
86.09701	3.9
87.00834	21.4
91.05472	14.8
93.07042	38.8
95.04963	9.4
95.08601	39.7
97.02879	21.0
97.06528	20.0
97.10166	3.7
99.04464	15.4
99.08089	6.1
104.47062	1.9
105.01868	15.6
105.07030	13.7
107.04951	87.0
107.08593	43.1
108.05283	29.0
108.08124	4.9
108.17996	2.6
109.02879	30.9
109.06490	5.4
109.10149	27.0
111.08073	8.8
111.11720	4.2
115.03922	6.8
117.01910	3.6
118.18681	1.8
119.01658	7.2
119.08572	18.4
121.06445	2.7
121.10129	19.0
122.02659	3.7
123.08064	24.1
123.11707	22.7
125.09630	4.3
125.13252	28.2
127.03919	43.5
127.11217	4.4
129.01869	4.0
130.05005	3.1
130.55096	1.9
131.08597	5.1
133.10120	15.3
135.11682	55.9
137.09604	5.4
137.13245	7.5
141.12714	2.3
143.10684	3.0
145.03166	2.2
145.04964	9.5
145.10146	6.6
147.11682	12.9
149.13243	23.2
151.11206	3.6
153.12726	27.7
159.02925	14.3
159.11725	7.3
161.13278	10.7
163.14833	3.3
165.12781	3.2
171.11656	2.5
174.96915	2.4
176.98900	2.1
177.00714	2.4
179.04703	3.0
187.11177	2.3
192.69180	1.9
201.03902	2.3
201.16357	5.4
203.17934	24.2
205.19452	12.0
207.11687	2.7
208.06496	2.4
213.04076	2.8
213.16409	3.0
219.05042	3.1
219.17348	2.8
221.19009	100.0
225.12801	2.6
231.05043	6.9
239.20111	7.6
274.12839	9.1
275.13217	7.3
280.11685	2.1
281.08264	2.4
311.20377	2.2
325.15060	7.3
326.14362	3.7
380.16873	7.0
381.17435	18.4
401.12454	2.5
487.21170	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	487.2147
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
50.62325	0.3
55.01848	0.5
56.96555	0.4
61.02921	0.4
64.63683	0.3
67.05460	0.5
69.03418	0.4
69.07046	0.4
69.56656	0.7
69.57063	1.5
70.02934	0.3
70.06582	2.0
71.07767	0.3
72.08147	0.7
79.05476	0.9
81.03396	0.8
82.77546	0.3
84.08131	1.1
85.02881	1.0
86.09699	2.5
91.05460	0.5
95.04961	0.6
95.08554	0.3
97.02898	0.5
97.06506	1.9
97.16399	0.3
98.97582	0.4
102.88975	0.4
105.06983	0.4
107.04940	6.9
108.05285	1.5
120.08079	0.8
121.02863	0.4
121.60012	0.3
129.10222	0.9
133.03439	0.6
136.07654	0.4
137.05971	0.7
152.07039	0.8
155.00021	0.5
163.03906	0.8
181.01505	0.3
189.00604	1.1
214.12230	0.3
215.07077	0.5
224.11189	0.4
224.42453	0.3
251.11375	1.1
256.06311	0.3
259.09717	0.8
260.09964	1.7
269.12323	3.6
275.14737	0.5
293.12363	0.7
307.14621	0.7
325.05804	1.3
325.16153	2.3
381.18875	1.0
469.20334	8.0
470.20139	0.4
487.21469	100.0
488.22159	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	487.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
59.06107	0.7
68.05018	0.8
69.03448	0.6
69.30350	0.7
69.30762	2.3
70.06582	1.2
71.04985	0.4
79.05488	0.8
81.03397	0.3
83.91975	0.3
84.91180	0.7
85.02889	1.2
85.07661	7.9
87.09221	0.5
95.04980	1.4
97.02872	0.7
97.07648	0.4
98.20775	0.6
105.04508	0.3
107.04951	100.0
108.05293	1.0
120.22801	0.3
121.01685	0.3
123.04450	0.4
130.00250	0.4
133.06511	0.5
145.04982	0.6
146.05971	0.4
148.07568	1.4
157.85942	0.3
179.02202	0.3
190.38866	0.3
191.08107	0.5
191.11742	1.5
194.50481	0.3
199.08405	0.2
219.13431	1.2
223.04922	0.5
229.11923	0.5
247.12907	2.2
263.04297	0.7
281.05463	0.3
281.43216	0.3
353.17221	0.3
487.16727	0.4
487.22839	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1217
Annotation	Tetracenomycin X
Peak:m/z	Relative Intensity
55.02860	3.3
56.96552	6.4
57.07074	5.8
62.44564	4.0
69.03417	7.9
70.06591	16.8
71.57456	5.4
80.59245	3.5
83.41416	3.3
84.08125	6.4
85.02901	6.7
86.09684	3.9
98.97593	16.0
107.04945	15.1
108.44048	3.2
110.07139	4.4
111.88152	3.2
114.28880	3.4
116.98647	9.6
127.03919	4.5
129.10246	6.3
134.99689	6.0
168.34297	3.4
177.00713	5.3
182.23192	3.6
185.04982	3.8
193.05283	3.7
203.07671	4.2
205.01833	4.8
214.23538	3.4
219.01758	6.8
223.02802	12.8
237.02843	6.8
240.07869	3.6
255.03680	5.9
265.03745	3.8
332.10483	3.9
339.53925	3.6
487.12070	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.171
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18226	3.8
59.11664	3.9
60.08664	3.7
71.33797	8.5
75.94025	3.6
84.07256	3.8
91.19231	4.2
117.07102	5.0
118.06543	17.8
130.06529	4.3
132.08154	6.7
144.08078	13.7
146.06010	58.2
159.09190	8.3
188.07065	100.0
205.09731	42.4
217.80437	4.4
324.42966	5.1
509.19995	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	487.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04786	0.3
53.03941	0.3
56.96554	0.6
61.02903	0.5
69.03410	0.6
69.07058	0.5
70.06595	2.0
70.45562	0.7
72.08131	1.0
79.05487	0.5
81.03416	0.4
84.04520	0.5
84.08131	0.8
85.02892	0.8
86.09704	1.0
93.07015	0.4
94.06490	0.3
95.04949	0.4
97.02908	0.4
97.06524	1.6
97.08630	0.3
98.06852	0.3
98.97566	0.3
99.04388	0.3
101.77288	0.3
107.04949	4.3
108.05294	1.0
110.07217	0.4
120.08104	0.6
121.06503	0.5
129.10265	0.7
133.10101	0.3
136.07573	0.4
137.05956	0.7
161.06020	0.3
163.03886	1.3
166.08658	0.5
173.02388	0.5
190.05202	0.3
199.73521	0.3
214.12296	0.3
215.07077	1.0
216.07507	0.3
251.11243	0.8
259.09726	0.8
260.10028	0.7
269.12436	1.8
287.05423	0.6
307.14087	0.3
325.12213	0.5
325.15823	1.7
335.09415	0.5
343.01462	0.5
361.02277	4.2
379.03320	1.9
407.07779	0.3
408.45511	0.3
438.28232	0.4
439.70520	0.3
449.51971	0.3
487.21490	100.0
488.21786	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	487.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
62.34602	1.4
64.66804	1.4
70.34358	1.7
70.46519	5.0
93.07378	1.4
93.59605	1.5
94.93008	2.7
104.62788	1.6
107.04993	1.5
116.98642	2.3
118.92358	1.8
143.74176	1.5
152.93549	1.7
236.07820	1.6
244.90324	2.2
268.94638	1.5
311.05804	1.6
338.96533	1.8
487.12097	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.6
53.46062	0.7
55.05513	2.5
55.37197	0.5
56.05043	3.4
56.96575	0.7
57.03411	0.9
58.06609	1.5
60.04527	2.0
60.08163	14.4
61.02905	0.7
61.68635	0.6
67.05503	2.7
67.72511	0.5
68.49704	0.6
69.07080	2.4
70.06593	35.8
71.06962	1.2
71.07369	5.9
72.08159	11.6
74.06083	2.5
74.58089	0.7
79.05487	2.2
81.03437	0.6
81.04558	0.6
81.07063	2.2
82.06556	0.8
83.04977	0.9
83.06096	1.0
84.04499	7.0
84.08144	14.9
85.02882	0.9
85.06514	0.6
85.08511	0.7
86.06082	1.4
86.09705	66.0
87.10045	1.0
88.03987	2.0
91.05491	2.4
93.04523	0.7
93.07050	1.8
95.06072	0.9
95.08621	1.5
98.06074	1.1
98.97570	0.7
98.98469	4.7
101.07169	0.7
102.05540	1.7
103.05486	0.8
104.10743	90.4
105.07019	2.0
105.11098	0.9
107.04963	1.9
109.10115	0.8
110.07160	6.2
111.09224	0.6
115.08675	1.4
116.07094	1.9
120.08099	4.9
121.10191	0.7
124.99084	1.5
125.00005	29.2
127.08692	1.1
129.10239	7.8
130.05019	1.8
130.06517	0.8
133.06487	1.8
136.07591	1.8
141.10243	0.7
148.06133	0.7
149.05968	0.6
155.08148	0.9
156.07654	0.6
157.09769	1.0
163.01485	0.7
167.08167	0.8
169.13365	1.1
169.25548	0.6
183.14963	1.4
184.07336	100.0
185.07713	1.4
187.10886	0.7
190.55339	0.6
203.10158	0.6
215.13931	0.8
229.15460	1.2
258.10928	0.7
284.49585	0.7
285.16782	0.7
286.68539	0.7
298.17615	0.9
358.55063	0.6
450.22507	2.8
468.23605	20.3
469.23685	1.2
486.24500	9.5
486.30347	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42971	0.5
55.01891	0.6
55.05518	1.3
56.05042	2.8
58.06585	0.6
60.04516	2.1
60.07878	0.8
60.08166	10.7
67.05495	1.2
68.40960	0.6
69.07077	1.0
70.02932	0.7
70.06595	34.2
70.54795	1.2
71.06953	1.0
71.07363	4.9
72.07807	0.8
72.08160	10.8
74.06054	0.9
75.54466	0.6
76.02207	0.7
79.05465	0.8
81.03414	1.2
81.07068	1.2
83.06119	1.2
84.04514	5.9
84.08141	11.6
85.02908	1.4
86.06041	0.6
86.09706	49.9
87.05592	1.1
87.10030	1.0
88.03970	0.9
89.33360	0.6
91.05468	1.8
93.04565	0.7
93.07050	1.0
95.04994	0.6
95.08599	0.7
98.06041	1.2
98.98470	3.5
101.07143	1.2
102.05527	1.9
104.10745	40.9
105.07028	1.3
105.11050	0.9
107.04933	2.0
108.74931	0.6
110.07169	5.1
112.08741	1.2
113.07140	0.7
115.08680	1.0
116.07131	1.4
120.08105	2.8
125.00003	25.8
126.05463	0.6
127.08673	1.1
129.10228	6.5
130.05005	1.1
130.10564	0.7
133.13919	0.6
136.07578	1.8
136.08563	0.6
141.10220	0.8
146.06039	0.8
155.08121	0.9
167.08101	0.7
169.13361	1.4
173.12926	0.7
184.07343	100.0
185.09174	0.9
187.10739	3.1
197.12819	1.4
201.12343	0.6
219.07822	0.7
244.41759	0.6
432.21417	2.3
450.16565	1.1
450.22513	14.5
468.23706	1.3
486.29803	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28244	0.4
53.03930	1.0
55.01839	0.5
55.05507	1.0
56.86798	0.4
56.96559	0.4
61.02912	0.8
61.57894	0.4
61.59755	0.4
67.05482	1.7
68.05035	0.6
69.03420	0.9
69.07066	0.7
70.04068	2.2
70.06577	2.5
70.75015	1.3
72.08144	0.8
73.02888	0.7
73.78224	0.4
76.02216	0.7
79.05487	3.2
80.04987	0.7
81.03404	1.3
81.07047	1.7
83.04945	0.7
83.08626	0.8
84.04507	0.9
84.05629	1.2
84.08131	1.0
84.15929	0.5
85.02903	1.3
86.06061	0.9
86.09702	0.8
86.85292	0.4
86.99040	0.4
87.04461	1.1
91.03896	0.5
91.05448	1.2
93.02854	0.5
93.05787	0.9
93.07036	1.2
94.06549	0.5
95.04934	3.0
95.08590	1.3
96.08139	1.7
97.02897	0.9
97.06524	0.9
98.06042	0.8
99.04450	0.5
100.11198	0.5
105.07048	0.6
107.04945	100.0
107.08611	1.0
108.05251	1.1
108.08112	6.3
109.06525	0.7
109.10143	1.2
110.09712	0.5
111.04402	0.6
119.08548	0.8
120.08083	0.7
121.06451	0.6
122.09676	1.2
123.08083	0.7
124.07555	0.8
130.04999	0.5
136.07553	0.6
137.09593	0.9
141.00987	0.5
144.08212	0.6
162.09062	1.0
162.97084	0.5
170.15387	0.7
177.01120	0.4
179.04842	1.5
179.14313	0.7
180.10283	0.6
181.29968	0.5
182.15350	0.5
182.53194	0.4
184.07515	0.6
198.11290	0.6
210.11279	0.7
210.15016	0.6
214.18085	0.9
256.11804	2.0
274.12839	22.8
283.06131	0.6
284.00250	0.5
286.12796	0.5
324.14819	0.9
332.20587	1.1
380.17001	29.0
468.34183	0.8
486.21191	14.2
486.27826	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.01865	0.5
55.05505	0.9
56.96550	0.2
57.03429	1.0
57.07073	1.3
58.99581	0.2
59.05003	0.6
61.02910	1.5
67.05505	1.8
69.03425	3.5
69.07049	0.7
70.04073	100.0
70.06583	0.7
71.04974	0.3
71.59811	0.2
71.60217	0.3
72.08154	0.3
73.02905	0.7
76.02224	2.3
79.05492	0.8
81.07050	1.4
83.01324	0.2
83.04964	0.3
83.08615	1.9
84.04512	0.9
84.08160	0.3
85.02903	7.3
85.03423	0.4
86.06062	0.4
86.09713	0.4
86.98995	0.2
87.04468	0.8
89.06030	0.4
91.03944	0.6
91.05492	0.6
93.07035	0.8
94.96321	0.2
95.04966	0.5
95.08600	1.7
97.02885	2.9
97.06524	0.5
98.06053	0.2
99.04472	0.5
105.06998	0.4
107.04955	2.0
107.08540	0.3
109.02879	0.8
109.06492	0.2
109.10142	1.4
112.07580	0.2
116.01662	0.7
119.08559	0.5
121.02859	1.5
121.06532	0.3
121.10130	0.3
127.03912	1.5
131.04948	0.3
132.05728	0.6
133.08708	0.3
133.10052	0.2
137.09622	0.2
141.01004	5.6
141.02077	0.3
144.01126	0.3
145.04974	1.4
145.06508	0.3
146.07266	0.9
148.07550	0.2
151.14821	0.7
153.00323	0.2
155.02571	1.0
156.10188	0.3
159.08052	0.3
161.13248	0.4
162.02205	1.4
163.03900	0.3
163.25394	0.2
163.33330	0.2
167.02567	2.5
174.11314	0.5
179.04843	3.5
179.14302	0.8
181.04135	3.6
195.04085	0.2
195.05721	0.8
214.17990	0.5
226.14401	0.3
233.05925	0.6
237.10457	0.3
242.11760	0.8
243.87398	0.2
245.05893	0.3
250.14503	0.3
259.09595	0.4
274.59985	0.2
305.29663	0.2
306.13657	4.5
308.09097	0.6
324.14709	78.3
325.15018	1.1
339.17535	0.2
362.22964	0.2
388.19797	0.2
411.19424	0.7
420.37839	0.2
486.20035	1.0
486.27274	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70101	0.3
53.03945	0.7
55.05522	0.5
55.35936	0.3
57.03439	1.2
57.07057	0.5
61.02924	1.1
69.03424	4.5
69.07067	1.2
70.04073	100.0
70.22449	1.1
71.04994	0.6
73.02879	0.4
73.06559	0.7
81.07028	0.4
85.02900	12.4
87.04484	0.6
91.03967	0.5
97.02885	3.5
98.20869	0.4
99.04430	0.8
100.05142	0.4
103.05490	0.5
107.04951	0.6
107.08587	0.4
109.02868	1.0
115.05467	0.5
116.06248	0.6
123.28014	0.3
125.01537	14.3
125.02458	0.7
127.03843	2.0
127.13767	0.3
128.06213	0.6
129.06990	0.6
130.07767	0.6
138.99519	0.3
139.03076	2.6
142.07776	0.5
144.09335	1.2
144.85023	0.3
145.04938	1.2
147.53317	0.3
151.03090	10.7
163.03102	2.4
165.04666	4.3
177.04642	1.9
179.06215	4.5
181.04124	0.4
204.37828	0.4
207.09323	1.5
219.09267	0.8
276.12598	3.7
288.12622	0.5
306.13629	12.5
324.14709	74.3
325.14868	1.0
327.96954	0.3
342.61108	0.4
486.20032	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	486.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06961	0.1
50.81525	0.1
53.03943	0.4
55.01867	0.4
55.05501	0.5
57.03431	1.5
57.07077	0.7
59.05010	0.4
61.02914	1.5
69.03424	5.9
69.07069	0.2
70.04071	100.0
70.65942	0.4
71.01353	0.4
71.03780	0.1
71.04395	0.2
71.04978	0.5
73.02922	0.8
73.59212	0.1
76.93575	0.1
80.58212	0.1
83.01326	0.2
83.08615	1.1
84.37508	0.1
85.02898	12.3
87.04465	1.2
88.18072	0.2
91.03963	0.7
91.05470	0.2
97.02883	4.1
97.06497	0.1
97.10165	0.2
99.04450	0.8
101.02388	0.2
103.03932	0.3
103.05422	0.2
105.03399	0.2
107.04952	0.5
109.02870	1.6
109.10146	0.2
115.03925	0.2
118.20741	0.1
127.03909	2.6
131.04929	0.4
132.05716	0.7
141.01004	12.5
145.04938	1.6
146.07275	0.5
155.02618	0.4
157.81636	0.1
166.13330	1.0
167.02585	2.7
181.04108	1.3
183.02162	0.1
195.05765	0.2
214.66823	0.1
235.95163	0.1
237.10359	0.4
306.13678	3.7
324.14703	72.7
325.14859	1.0
358.09192	0.1
468.18851	0.3
484.63629	0.2
486.19998	4.9
486.26987	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
55.01859	0.7
55.05515	1.9
56.05037	0.5
56.96553	0.7
57.03424	1.6
57.07076	11.9
59.05013	0.6
61.02915	2.6
61.93408	0.3
67.05505	1.7
69.03427	4.8
69.07066	55.6
70.04060	0.5
70.06583	1.0
70.07438	0.8
70.07848	2.7
70.64882	0.4
71.00327	0.8
71.04984	1.1
73.02907	0.5
74.62514	0.3
79.05485	1.2
81.07057	1.4
82.94138	0.4
83.04960	0.6
84.08137	0.6
85.02902	12.2
85.06554	0.5
87.04467	1.0
91.03945	1.0
91.05480	0.8
93.07053	0.6
95.04968	0.8
96.08171	0.4
97.02900	5.1
97.06538	0.5
97.16981	0.4
99.00008	1.4
99.04429	0.7
100.05101	9.0
105.07046	0.9
107.04935	2.6
107.08551	0.5
109.02882	1.4
109.10158	0.4
111.04442	0.5
112.05015	0.5
113.01557	1.1
113.05880	0.9
115.07562	10.6
116.10723	0.6
117.06976	0.5
119.08566	0.5
121.06522	0.6
121.10162	0.7
125.63595	0.4
126.99480	4.2
127.03889	2.3
129.01030	7.8
131.08582	0.4
139.00600	0.6
140.04556	0.5
141.01018	11.9
142.08698	0.5
145.04956	1.7
154.09695	1.0
155.02585	3.9
161.09644	1.0
169.04204	2.6
170.54626	0.5
172.41679	0.3
179.10577	0.9
196.10826	5.0
197.07285	30.7
207.05737	1.0
211.87880	0.4
214.18007	2.9
220.02670	0.3
222.04338	0.4
225.06746	1.7
239.25764	0.3
250.03737	0.6
264.08899	0.8
294.11694	0.4
306.10019	1.0
324.11078	100.0
325.11383	2.3
376.09549	0.4
388.19583	0.6
407.53433	0.4
408.22687	0.4
468.26013	0.4
486.31342	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	485.347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
55.05492	2.8
55.09244	0.9
57.07070	27.6
67.05482	1.9
69.07056	6.4
70.04057	2.5
70.13464	4.6
71.03116	1.1
71.08625	50.8
73.02889	1.1
73.06545	1.9
77.03915	1.9
79.05475	2.4
81.07044	2.2
85.09657	1.0
85.10174	27.0
87.04469	9.0
89.06022	100.0
91.05474	17.5
93.07047	18.0
95.04949	7.7
95.08582	1.5
98.20723	1.3
103.05473	5.1
105.04523	1.3
105.07006	6.1
107.04925	3.6
107.07079	5.3
107.08606	2.4
117.07005	3.0
119.04892	3.2
119.08569	4.7
120.72240	1.1
121.06494	62.7
121.10093	2.2
127.14795	1.5
129.06987	1.0
130.08643	3.0
131.08565	2.8
133.08591	53.7
135.08035	4.1
136.05170	2.2
139.07593	1.5
145.10098	2.3
147.01274	1.0
147.08032	11.1
149.09616	5.6
150.06918	1.1
159.11765	1.3
161.09586	1.5
163.11214	2.5
165.09100	32.6
167.10645	1.4
168.30098	0.9
169.10101	1.1
177.11214	14.2
177.12689	1.7
191.10660	2.1
192.93776	1.5
197.07266	2.5
204.81387	1.0
209.11720	11.8
247.20547	19.9
253.14331	1.7
257.98737	1.2
271.15387	3.4
273.22137	1.3
291.19879	1.8
291.23129	26.7
313.27219	2.0
315.18109	2.1
322.18002	0.9
335.25824	2.0
359.20627	11.0
484.84735	2.0
485.19803	1.3
485.34091	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3259
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
53.01899	3.6
55.01852	5.0
55.05497	13.2
57.03411	4.6
57.07060	6.6
65.03916	5.4
67.05500	38.0
69.03415	7.5
69.07066	21.4
70.08252	4.4
71.04971	4.5
71.08551	3.9
71.59824	8.0
73.02899	4.5
73.16404	3.7
74.99848	3.5
75.00331	4.0
78.67002	4.4
79.05486	33.7
81.07047	69.4
83.04990	6.3
83.08599	8.5
85.06512	4.7
91.05473	57.5
91.06020	7.1
93.07043	63.5
95.04955	13.7
95.08601	65.4
97.02905	5.4
97.06528	8.6
105.07016	77.1
107.04946	8.5
107.08577	61.1
109.06506	12.1
109.10143	38.2
111.04440	31.0
111.08051	10.8
112.40963	3.8
117.07008	19.2
119.08571	77.8
121.06486	13.3
121.10133	100.0
121.11015	5.7
123.08052	16.6
123.11694	34.0
125.01555	6.8
125.09618	6.7
129.07001	11.5
131.08533	36.1
133.10115	52.4
135.08025	11.4
135.11693	34.8
137.05939	20.4
137.09566	7.0
139.07472	5.1
141.06998	5.7
142.07799	8.2
143.08522	21.7
144.09262	6.1
145.10107	59.6
147.07990	10.1
147.11679	28.3
149.09587	5.5
149.13258	14.1
151.07529	6.7
155.08540	10.2
156.09267	5.5
157.10133	24.5
159.08044	14.2
159.11676	48.1
161.09598	22.2
161.13174	24.2
163.31374	3.9
165.09084	5.0
167.82422	5.2
169.08719	7.3
169.10127	11.5
171.11659	18.9
173.09601	18.0
173.13181	36.7
173.14548	5.2
175.11169	11.8
175.14803	9.8
181.10194	5.9
183.10222	5.6
183.11667	9.8
185.13222	18.9
186.96788	6.1
187.11192	7.6
187.14821	25.4
189.12651	8.2
189.16312	8.9
197.13217	18.5
199.11063	4.6
199.14796	16.9
201.12662	15.2
201.16345	4.6
203.14319	11.3
204.97801	6.2
209.13255	7.4
211.14793	12.3
213.12733	9.5
213.16316	7.2
215.14308	25.1
217.15826	17.4
219.13799	11.3
221.13228	4.7
221.15295	8.2
227.14287	5.5
227.17848	4.6
229.15900	18.3
231.13718	6.5
233.15349	35.8
245.15440	9.8
247.16936	10.7
249.16112	5.1
252.11169	4.9
259.16818	4.6
297.22061	4.3
317.17828	7.2
319.23990	5.2
337.24973	5.1
393.28049	4.8
407.29910	5.3
409.27646	5.4
417.15875	6.5
421.30905	18.7
431.29648	31.0
439.32303	26.0
449.30508	72.5
467.31485	53.2
485.12796	5.0
485.32532	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01899	3.6
55.01852	5.0
55.05497	13.2
57.03411	4.6
57.07060	6.6
65.03916	5.4
67.05500	38.0
69.03415	7.5
69.07066	21.4
70.08252	4.4
71.04971	4.5
71.08551	3.9
71.59824	8.0
73.02899	4.5
73.16404	3.7
74.99848	3.5
75.00331	4.0
78.67002	4.4
79.05486	33.7
81.07047	69.4
83.04990	6.3
83.08599	8.5
85.06512	4.7
91.05473	57.5
91.06020	7.1
93.07043	63.5
95.04955	13.7
95.08601	65.4
97.02905	5.4
97.06528	8.6
105.07016	77.1
107.04946	8.5
107.08577	61.1
109.06506	12.1
109.10143	38.2
111.04440	31.0
111.08051	10.8
112.40963	3.8
117.07008	19.2
119.08571	77.8
121.06486	13.3
121.10133	100.0
121.11015	5.7
123.08052	16.6
123.11694	34.0
125.01555	6.8
125.09618	6.7
129.07001	11.5
131.08533	36.1
133.10115	52.4
135.08025	11.4
135.11693	34.8
137.05939	20.4
137.09566	7.0
139.07472	5.1
141.06998	5.7
142.07799	8.2
143.08522	21.7
144.09262	6.1
145.10107	59.6
147.07990	10.1
147.11679	28.3
149.09587	5.5
149.13258	14.1
151.07529	6.7
155.08540	10.2
156.09267	5.5
157.10133	24.5
159.08044	14.2
159.11676	48.1
161.09598	22.2
161.13174	24.2
163.31374	3.9
165.09084	5.0
167.82422	5.2
169.08719	7.3
169.10127	11.5
171.11659	18.9
173.09601	18.0
173.13181	36.7
173.14548	5.2
175.11169	11.8
175.14803	9.8
181.10194	5.9
183.10222	5.6
183.11667	9.8
185.13222	18.9
186.96788	6.1
187.11192	7.6
187.14821	25.4
189.12651	8.2
189.16312	8.9
197.13217	18.5
199.11063	4.6
199.14796	16.9
201.12662	15.2
201.16345	4.6
203.14319	11.3
204.97801	6.2
209.13255	7.4
211.14793	12.3
213.12733	9.5
213.16316	7.2
215.14308	25.1
217.15826	17.4
219.13799	11.3
221.13228	4.7
221.15295	8.2
227.14287	5.5
227.17848	4.6
229.15900	18.3
231.13718	6.5
233.15349	35.8
245.15440	9.8
247.16936	10.7
249.16112	5.1
252.11169	4.9
259.16818	4.6
297.22061	4.3
317.17828	7.2
319.23990	5.2
337.24973	5.1
393.28049	4.8
407.29910	5.3
409.27646	5.4
417.15875	6.5
421.30905	18.7
431.29648	31.0
439.32303	26.0
449.30508	72.5
467.31485	53.2
485.12796	5.0
485.32532	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	6.6
57.07081	27.9
61.35854	1.9
63.10483	2.1
67.05508	5.8
69.07066	5.1
69.29151	19.6
69.29565	5.0
71.08635	19.9
71.40076	2.2
81.07050	8.5
83.08621	4.8
83.13427	2.0
85.10196	8.4
95.08601	11.4
97.10184	3.8
98.98461	23.4
101.36881	2.2
109.10136	2.2
130.53922	1.8
135.65479	2.6
155.01077	11.8
171.19385	2.1
204.25150	1.9
239.23639	2.3
260.33072	1.9
313.27371	100.0
449.26691	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	485.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	3.2
57.03424	6.4
57.07070	23.3
60.73706	1.4
67.05486	5.7
69.07059	6.8
70.85313	4.1
71.08630	19.1
71.60771	1.2
73.02896	1.4
81.07046	7.3
83.08598	5.4
85.10191	9.5
89.06054	6.0
91.05447	2.2
93.07028	2.5
95.08598	11.5
97.10136	2.6
98.98466	19.8
105.06981	1.4
105.16153	1.4
109.10141	5.6
121.06500	1.9
123.11639	1.6
124.42934	1.2
128.75578	1.2
133.08635	1.7
154.62505	1.4
155.01054	9.3
165.73160	1.3
170.84149	1.3
192.62141	1.5
239.23669	2.9
241.92578	1.4
259.91611	1.2
313.27328	100.0
314.27539	2.8
338.78046	1.4
449.26547	5.7
484.84421	5.4
485.33554	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.05510	1.3
56.05034	0.6
56.96570	1.8
61.02912	0.8
67.05503	2.7
68.05013	0.7
69.03436	1.0
69.07069	1.1
70.06590	100.0
70.89124	0.7
70.89457	1.1
71.04989	4.0
71.06897	0.7
72.08148	4.2
79.05492	1.4
81.03411	0.8
81.06638	0.5
81.07035	3.2
83.04979	0.9
83.06094	0.6
84.04507	1.7
84.08163	3.1
84.49710	0.5
85.02901	3.1
85.06542	0.6
86.06070	0.7
86.09698	3.2
87.04493	1.1
88.04005	3.6
91.05485	2.4
93.07051	1.5
95.04945	0.7
95.06104	1.0
95.08639	1.0
97.02884	2.3
97.06525	1.8
97.07633	1.8
98.03535	25.7
98.97609	1.9
99.04476	0.5
105.07014	0.9
107.04949	7.1
107.08568	0.8
108.08115	1.4
110.07170	1.4
110.09673	3.6
110.97587	0.9
112.05080	1.7
114.05553	0.7
115.80721	0.5
116.07093	21.4
116.98620	2.0
118.06564	1.0
119.04962	0.7
120.08100	2.2
121.10152	0.6
124.11216	0.6
127.03939	1.2
127.86906	0.5
128.98601	0.8
129.10252	0.7
130.04991	0.8
133.03499	0.7
133.10114	1.0
134.03642	0.6
134.99654	1.3
136.05092	1.2
136.07570	1.1
140.04553	9.3
146.06009	1.6
146.99660	1.5
147.07703	0.7
149.01207	0.7
149.05984	0.7
150.06642	4.8
152.08182	9.8
158.05605	25.2
158.09271	0.5
158.97412	0.6
160.99020	0.6
161.01228	1.0
163.02731	1.2
163.03963	0.8
164.08179	12.6
168.07668	1.7
170.67455	0.5
177.00774	0.7
182.09280	1.7
184.07462	0.7
194.09285	0.7
194.15373	0.6
194.56606	0.6
196.07169	4.2
210.08727	23.6
212.10289	7.1
213.09862	0.6
215.07086	0.6
218.16534	1.7
219.01822	2.4
228.09714	4.6
234.99054	0.8
237.02834	5.7
239.00119	0.6
241.04010	0.5
246.16028	8.8
249.09866	0.6
255.03978	1.1
256.09274	1.5
259.09729	1.4
266.21152	15.5
267.10788	1.6
273.11914	15.0
273.14777	1.0
274.15460	3.0
285.11877	0.7
287.05573	3.4
288.17081	2.3
289.05972	1.3
292.16565	4.8
304.69116	0.5
305.03293	2.4
306.18121	2.0
307.07010	3.0
326.06549	3.8
326.56702	1.6
334.17697	5.2
352.18652	12.6
358.98520	0.8
361.02417	2.6
362.03427	0.6
370.19705	3.7
379.03369	1.0
422.23019	3.2
423.25989	14.5
440.23965	1.6
457.10123	3.9
467.24991	64.4
468.25098	0.8
485.19714	4.1
485.26010	51.2
486.26425	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.6
55.05518	1.5
55.36616	0.7
56.05023	0.8
56.96547	0.8
57.03439	0.7
67.05498	2.4
69.03429	1.0
69.07074	0.8
69.37862	2.5
69.38285	3.4
70.02943	0.7
70.06587	100.0
71.04984	3.6
71.56751	0.7
72.08153	4.0
73.02957	0.6
79.05486	1.5
81.03419	0.8
81.07055	2.5
83.05002	0.7
83.06092	0.8
83.08643	0.7
84.04490	1.0
84.08151	2.6
85.02909	3.3
86.09702	2.4
86.59541	0.7
87.04448	0.7
88.03986	3.4
91.05492	2.4
93.07036	2.7
94.06570	0.8
95.06083	1.6
95.08613	1.2
97.02888	1.6
97.06528	2.0
97.07668	1.3
98.03531	28.0
98.06054	0.7
98.97587	1.2
99.04456	0.6
104.10774	0.8
105.07012	1.5
107.04953	8.0
107.08595	1.5
108.05271	0.6
108.08081	0.8
109.10173	0.6
110.07172	2.7
110.09669	4.7
112.05091	1.9
112.08757	0.8
116.07088	22.5
116.98637	1.8
119.08605	1.2
120.08080	3.0
122.03550	1.0
123.11721	0.8
124.05048	0.6
127.03921	0.7
129.10237	1.5
130.04999	1.1
132.05263	0.7
134.09624	0.7
134.99667	0.9
136.05074	1.1
136.07556	0.7
140.03506	0.5
140.04524	8.8
145.93532	0.6
146.06035	1.5
146.99706	1.3
147.11732	0.9
148.07526	0.6
149.24371	0.7
150.06622	4.7
152.07082	1.1
152.08176	10.1
158.05602	23.8
160.32156	0.6
161.01221	0.9
163.02748	0.9
164.08194	12.3
166.09782	0.7
168.07693	1.2
182.09239	1.0
184.07309	1.0
196.07130	4.5
197.11856	0.6
210.08727	22.5
212.10291	7.6
215.06992	0.7
217.09781	0.9
218.16571	2.1
219.01830	1.5
228.09752	4.4
237.02838	4.7
246.16023	7.9
248.19994	0.8
251.67670	0.7
255.11063	0.8
256.09149	3.0
259.09595	1.9
266.21130	16.5
267.10873	1.0
273.11926	16.0
273.14758	0.9
274.15601	2.2
285.11850	1.8
287.05518	3.4
288.17108	2.7
289.06152	0.9
292.16547	6.1
294.18097	0.9
297.51068	0.7
305.03305	1.1
306.18033	2.3
307.06976	2.2
316.16904	0.7
326.06430	1.7
334.17599	5.7
337.57300	0.9
347.08405	0.7
352.18634	13.2
358.98407	1.1
361.02292	3.1
370.15454	0.6
370.19534	3.6
376.99500	0.8
379.03665	0.7
405.24951	0.9
422.22705	3.6
423.26016	15.7
440.24167	1.4
457.10263	3.5
467.24991	69.8
468.25604	1.7
485.19913	2.9
485.26022	54.6
486.26462	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.2
55.01451	1.0
55.01857	3.9
55.05507	8.7
57.03436	7.4
57.07054	1.8
61.02900	2.6
65.03920	1.2
67.05499	14.7
68.99788	1.3
69.03082	1.6
69.03428	26.1
69.07063	76.4
70.64394	2.7
70.64777	2.5
70.85584	1.0
71.04970	4.6
73.02905	2.8
79.05484	18.7
81.03410	16.1
81.07053	33.5
83.04967	6.5
83.08604	3.9
85.02896	21.8
87.00829	10.8
91.05473	25.5
93.07036	88.9
95.04955	11.2
95.07980	1.7
95.08598	31.2
97.02901	8.5
97.06515	15.2
97.10157	2.8
99.04435	3.9
99.08089	7.9
103.05438	1.7
105.01822	7.4
105.07026	18.7
107.04926	3.8
107.08582	25.7
109.02868	11.9
109.06508	5.7
109.10148	23.5
111.08047	4.4
113.09638	35.3
115.07558	2.0
117.07019	3.3
119.08563	12.2
121.05726	1.2
121.06474	5.6
121.10133	37.8
123.08040	4.3
123.11697	15.0
124.25307	1.3
125.09618	7.2
127.03911	20.9
127.11186	2.8
129.07115	1.3
130.07727	2.2
131.08563	9.5
132.26009	1.2
133.10121	6.5
135.08054	3.6
135.11665	8.2
137.09549	1.4
139.11172	26.0
143.08575	1.3
145.04955	6.0
145.10100	20.0
147.02870	2.3
147.11652	5.4
149.09625	15.2
149.13228	4.5
150.10443	1.4
151.11194	6.4
159.02950	6.5
159.04100	1.5
159.11668	9.9
161.13210	6.4
163.11165	18.3
165.12712	3.5
173.13228	1.7
175.11198	1.5
175.14793	2.0
177.12772	1.9
177.16370	4.8
189.00659	1.6
191.17938	4.9
201.16396	15.3
203.17894	2.3
211.14726	1.2
213.09198	1.2
219.17427	100.0
220.17764	2.0
221.18997	9.7
231.04959	3.9
237.18459	17.0
252.82979	1.3
273.41129	1.3
302.81891	1.1
322.23349	1.2
387.57404	1.3
467.22641	2.7
485.23636	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98053	1.7
53.03941	5.4
55.01840	3.2
55.05502	7.4
55.93522	2.9
56.94304	3.8
56.96553	2.4
57.03431	3.7
61.02929	3.0
65.03908	2.5
67.05497	13.2
69.03072	2.2
69.03424	25.2
69.07059	47.0
70.06598	10.3
70.95874	2.3
71.04984	4.9
71.59590	2.6
72.08152	3.4
72.93781	8.0
73.02924	3.3
79.05478	14.4
81.03408	12.2
81.07049	22.5
83.04977	8.1
83.08630	2.0
84.08148	3.9
85.02889	13.5
86.09716	10.1
87.00816	6.8
87.10034	2.2
90.94816	2.5
91.03941	2.3
91.05463	23.7
93.07038	60.8
95.04950	10.7
95.06080	2.1
95.08601	27.6
97.02882	7.2
97.06533	15.0
98.38998	2.0
99.04448	3.3
99.08095	4.2
100.63579	1.8
104.10742	7.5
105.01833	3.9
105.07010	26.8
107.04948	27.8
107.08585	21.5
109.02878	11.2
109.06511	4.1
109.10150	15.0
111.08065	2.5
113.09631	57.2
117.07004	4.1
119.08590	9.8
120.21691	2.0
121.06489	9.3
121.10133	27.7
123.08080	5.0
123.11668	3.6
124.99973	2.9
125.09631	3.7
127.03896	10.0
128.06467	1.9
130.07822	2.3
131.08569	14.2
133.10165	6.5
135.08057	3.2
135.11662	2.0
139.11159	41.3
142.97934	2.9
143.08572	2.6
145.04959	4.0
145.10081	14.3
147.11653	4.8
149.00613	2.0
149.09576	9.5
149.13312	3.1
157.10236	2.0
159.02869	4.7
159.11693	6.7
161.13283	4.6
163.11131	10.0
164.99976	8.1
173.13213	2.4
177.12790	2.1
180.99516	2.6
184.07326	19.3
185.07724	3.4
189.03525	9.8
201.16414	5.7
219.17419	100.0
231.05057	3.4
237.05621	3.3
237.18504	12.9
259.09586	4.1
263.03528	3.2
281.04639	13.0
323.05701	8.2
341.06894	4.8
365.06827	3.4
365.66519	2.3
415.08383	2.5
485.26837	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	485.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
54.34248	1.0
55.01866	2.4
55.05509	8.7
56.96572	2.4
57.03432	5.4
57.07063	2.5
61.02922	1.7
65.03944	1.5
67.05499	23.1
69.03430	1.2
69.07063	10.6
69.75822	7.9
71.04990	1.4
78.08212	1.1
79.05486	25.2
81.03409	2.5
81.07052	22.0
83.08611	3.4
85.02904	2.1
85.06492	1.1
91.05474	20.7
93.07038	25.7
95.04437	1.2
95.04933	5.7
95.08602	12.1
97.02890	1.5
98.21419	1.6
105.07023	19.8
107.04936	3.3
107.08582	14.7
109.10143	4.6
117.07011	5.7
119.08578	12.1
121.06480	1.5
121.10149	7.0
129.07007	5.0
131.08571	6.1
132.35382	1.2
133.10117	11.1
134.98178	100.0
135.11694	5.1
143.08549	2.5
145.10135	4.4
147.11699	5.2
149.13222	1.5
152.99269	1.5
156.97365	1.2
157.10103	1.6
159.11684	3.8
161.13271	1.8
169.10136	1.7
170.99045	4.1
171.11684	3.1
176.00909	1.7
189.00140	6.1
209.01988	3.2
227.01700	4.9
235.08757	1.1
259.20575	2.5
317.19803	3.0
333.24225	22.2
334.24252	1.5
355.22379	44.4
356.22623	1.5
373.23453	32.3
373.28064	2.1
393.27686	1.5
411.17444	1.6
450.52731	1.2
467.21634	86.3
468.21774	3.3
485.22369	3.2
485.32523	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	485.1996
Annotation	CHEMBL252967
Peak:m/z	Relative Intensity
51.72743	0.2
53.03916	0.2
55.05514	0.2
56.96571	0.3
67.05499	0.3
69.07053	0.3
70.06581	0.9
71.59924	0.3
79.05473	0.3
81.03397	0.3
81.07064	0.2
81.93066	0.2
84.04480	0.3
84.08145	0.4
86.09712	0.7
91.05475	0.6
93.07064	0.2
97.02915	0.2
97.06524	1.4
105.06993	0.3
107.04948	1.5
120.08045	0.3
121.02843	0.2
121.06483	0.4
130.52776	0.2
138.09175	0.2
163.03920	0.7
166.08609	0.3
173.02423	0.3
184.07396	0.3
215.07069	0.5
251.58725	0.2
259.09982	1.0
285.11752	0.4
323.14633	7.4
324.15280	0.3
384.93475	0.3
457.20685	0.3
467.24747	0.2
482.54413	0.2
485.19922	100.0
486.20255	2.8
501.16455	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51778	0.3
53.03917	0.3
55.05481	0.6
56.72727	0.4
57.03421	0.5
59.61493	0.3
60.08144	0.4
67.05479	1.1
69.03405	1.4
69.07048	0.7
70.06590	2.5
71.59649	0.5
72.08135	0.7
73.02891	0.6
77.21243	0.3
79.05464	1.4
81.03395	1.1
81.07051	0.8
81.63556	0.3
84.04478	0.8
84.08115	0.7
85.02910	1.9
86.09689	2.0
91.05474	0.8
93.07026	0.9
94.06550	0.4
94.72504	0.4
95.04951	0.7
95.08576	0.5
97.02865	0.9
97.06481	0.8
98.06024	0.3
98.97588	0.5
99.04455	0.4
99.08052	0.8
103.05438	0.5
104.10735	1.7
105.07018	0.6
105.11027	0.6
107.04945	7.6
107.08579	0.4
108.05273	0.7
109.10158	0.5
110.07150	0.5
110.71669	0.4
116.98626	0.6
119.08550	0.7
120.08117	0.4
121.06451	0.5
121.10068	0.7
124.99960	0.8
127.03920	0.9
129.10202	0.5
133.10081	0.4
136.07578	0.6
137.05946	0.5
144.95728	0.4
145.05008	0.5
163.03882	0.4
166.08574	0.4
171.07896	0.4
172.05016	0.7
172.08694	10.4
173.01216	0.4
173.09435	0.5
173.15295	0.5
174.10326	0.5
174.15744	0.7
177.00702	0.6
184.07329	2.5
185.07547	0.6
186.10213	2.8
187.07390	3.4
187.08929	0.5
188.08134	0.5
190.09723	0.8
198.06580	1.8
199.07452	1.0
199.62022	0.4
200.08182	2.5
214.09717	1.4
216.07697	11.5
216.09944	1.0
218.09167	0.9
231.15843	0.4
240.06696	0.4
243.08766	100.0
244.07265	1.0
244.09528	25.1
245.10112	0.7
257.10309	3.9
301.10318	0.4
323.12906	0.6
323.20618	0.4
356.05859	0.4
360.14050	0.7
362.13443	0.6
370.16391	0.8
377.14514	1.7
378.15323	70.5
379.16052	15.4
395.14493	0.4
467.25504	0.6
468.16467	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1994
Annotation	CHEMBL252967
Peak:m/z	Relative Intensity
55.01858	0.5
55.05505	0.6
55.93523	0.8
67.05500	0.7
69.03445	0.7
69.07066	1.0
69.80885	1.5
69.81296	0.5
70.06593	1.7
70.95864	1.4
72.93774	2.5
74.80228	0.3
75.77595	0.3
79.05493	1.7
79.38055	0.3
81.03418	0.7
81.07070	0.7
82.06578	0.3
83.04982	1.7
84.08148	0.7
85.02896	0.9
86.09720	0.7
88.96906	0.6
90.94820	1.9
91.05468	2.0
93.07047	1.3
95.04973	0.6
95.08596	0.4
97.02902	1.0
97.06538	1.7
97.55408	0.3
105.07037	3.1
107.04950	2.3
107.08601	1.4
109.06459	0.6
110.07178	0.5
115.25974	0.3
116.07043	0.3
117.07058	0.5
118.97068	0.3
119.08568	0.6
120.08104	0.4
121.06470	1.7
125.05969	0.8
127.03861	0.4
128.96347	0.6
130.97966	0.5
132.95854	1.6
133.06429	0.5
135.11685	0.3
144.95833	0.7
145.10139	1.6
146.97389	0.6
148.98979	0.8
149.00459	0.5
150.96910	1.1
158.07277	0.5
158.97391	2.6
159.11787	0.6
159.34152	0.3
162.96873	0.7
163.02031	0.3
163.03929	0.6
163.11214	1.3
165.00003	1.2
166.08784	0.4
166.97881	0.8
173.02325	0.4
173.09578	0.6
174.96906	0.6
176.98494	1.5
180.99466	0.7
184.07454	0.4
184.98982	0.9
186.96844	0.8
188.98503	0.4
189.03625	2.8
192.99512	0.6
198.96985	0.7
203.05301	0.7
210.96867	0.5
211.00388	0.3
215.07103	0.8
216.98032	1.6
219.04802	0.5
234.99004	7.2
235.04036	0.4
237.05745	2.5
249.10983	1.9
251.03743	0.5
251.08553	0.6
253.00160	0.9
258.00601	0.5
259.07660	0.8
259.09958	0.8
263.03625	1.6
277.00061	5.2
279.06790	0.8
281.04706	2.7
305.04684	0.6
316.14398	0.4
323.05838	3.2
323.14624	5.8
341.06943	0.5
365.06952	0.5
379.12643	0.4
407.07819	0.8
425.09018	3.4
467.25061	0.5
485.19940	100.0
486.20297	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	485.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29585	1.1
56.96568	23.0
58.31761	1.0
67.05509	1.5
69.96062	2.0
69.96458	3.7
71.95252	2.3
84.96032	1.9
93.07065	1.2
95.08572	1.2
102.92624	2.4
105.40662	1.1
110.97595	1.6
111.73343	1.2
116.98672	1.5
118.92124	1.3
128.98631	5.4
136.93127	6.9
140.58249	1.2
146.99667	5.0
150.94563	1.5
150.95647	8.7
154.94170	18.1
155.03746	1.7
161.01210	1.4
166.72874	1.1
168.95735	13.2
172.95241	44.5
186.96800	97.3
189.04355	1.5
190.96295	21.8
191.97311	1.3
195.96873	4.6
204.97868	86.8
209.98410	6.4
210.96797	5.1
213.97910	2.1
224.98380	6.5
226.99968	3.6
227.99437	3.3
228.97852	12.9
242.99411	17.2
245.01065	3.3
246.98999	3.0
261.00494	2.6
266.01001	1.8
278.66278	1.2
315.16199	2.2
317.17883	100.0
318.18274	2.5
333.17355	3.4
335.18918	49.8
353.19922	2.5
358.20572	10.0
373.20462	6.5
411.15985	12.3
425.17584	8.1
439.19354	1.5
453.17203	22.2
467.18622	12.0
471.18246	52.7
472.19067	1.8
485.19870	21.7
494.19656	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	485.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	2.0
56.32043	0.9
56.96560	21.7
57.03426	1.1
57.07071	3.9
63.74884	0.9
67.05492	3.0
69.07050	4.2
71.30832	1.6
71.95243	2.4
73.48272	1.2
74.97585	1.5
79.05491	3.3
81.07056	2.0
83.08601	1.3
84.22247	1.0
84.96035	2.2
89.06017	3.1
91.05472	2.8
93.07003	1.3
95.04942	1.5
95.08617	1.5
102.92611	3.1
105.07033	2.8
107.04944	18.2
107.08572	1.8
115.97807	1.3
116.98629	1.7
117.07016	1.1
121.06501	1.1
128.98624	3.2
131.00162	1.1
131.08569	1.1
133.10153	1.4
136.93086	4.7
145.10100	1.1
146.99681	5.9
150.95549	3.8
154.94130	12.6
155.03818	1.5
168.95695	8.2
172.95219	42.0
186.96771	90.2
190.96268	24.5
195.96819	3.4
204.97830	73.0
206.97121	1.1
209.98363	10.2
210.96742	3.2
213.97807	1.2
215.23898	1.0
222.98804	2.6
224.98286	6.2
226.99870	3.2
227.99402	5.7
228.97812	12.1
230.99126	1.1
242.11536	1.9
242.99414	17.9
245.00999	1.9
246.98875	3.6
248.00037	1.1
251.99457	1.2
261.00446	1.3
266.01053	2.4
315.16226	2.2
317.17850	100.0
318.18280	2.5
333.17343	3.1
335.18866	45.4
353.20145	1.1
358.20468	14.4
373.20517	5.0
411.16061	11.6
411.28833	1.0
425.17688	9.2
429.17313	1.3
443.18652	1.2
453.17072	24.4
467.18735	11.7
471.18164	52.1
485.19696	28.6
485.31668	6.4
494.19812	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	485.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12660	1.2
56.96302	1.5
56.96564	22.0
67.05495	2.2
70.77446	1.6
70.77789	3.9
71.95253	2.6
76.30609	1.4
89.05795	1.2
91.12450	1.2
98.97602	1.8
102.92603	2.3
110.97617	1.5
118.92086	2.8
120.93669	1.6
128.98564	4.8
136.93105	9.0
146.99663	4.4
150.94510	1.8
150.95656	9.4
154.94180	22.0
161.01273	2.3
168.95723	16.3
172.95235	40.5
186.96793	100.0
189.04254	2.9
190.96291	20.7
195.96869	1.8
204.97861	81.2
209.98380	7.4
210.96861	4.3
222.98772	2.0
224.98438	6.7
226.99860	2.7
227.99452	4.4
228.97917	13.3
230.99251	2.1
242.99416	21.8
245.00951	1.6
246.98804	3.0
261.00473	2.4
315.16397	1.6
317.17883	97.9
318.18268	3.4
333.17377	4.0
335.18924	49.5
335.25217	2.0
358.20435	8.4
367.67154	1.8
373.20490	5.6
397.14359	1.9
411.16113	11.9
425.17581	11.3
429.17117	2.2
453.17172	23.9
467.18744	13.2
471.18237	54.6
485.19879	24.8
494.19809	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08816	1.1
51.10446	1.3
55.95562	1.2
56.96294	1.7
56.96564	23.5
65.31428	1.2
71.59711	2.9
71.95282	1.8
81.07063	1.3
88.07628	4.5
88.17750	1.4
102.92613	3.2
111.12792	1.4
128.98611	3.4
136.93134	6.6
146.98196	1.6
146.99677	4.2
150.94550	1.8
150.95619	2.2
154.94150	12.0
161.01302	1.4
168.95665	8.4
172.95242	45.5
178.45987	1.4
184.07347	4.6
185.98506	1.3
186.96794	91.7
189.04362	2.1
190.96286	33.0
195.07011	1.2
195.96835	3.2
204.97862	85.4
209.98380	9.9
210.96803	3.8
213.97910	1.7
219.66296	1.4
222.98947	2.7
224.98358	4.4
226.99945	4.2
227.99428	5.4
228.97830	14.0
242.99413	20.8
245.01140	2.5
245.10516	2.2
246.98904	4.0
248.00056	1.9
261.00385	3.2
266.01175	2.6
275.08954	1.4
285.85245	1.7
300.26254	1.7
315.16122	1.4
317.17871	100.0
333.17334	3.7
335.18933	50.1
353.19861	2.2
358.20547	17.8
373.20526	6.1
411.16003	10.7
425.17575	9.6
453.17062	20.4
467.18701	13.2
471.18185	50.6
485.19748	21.3
494.19690	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	485.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05476	1.2
56.96558	21.4
57.07066	1.4
67.05504	4.6
69.00423	1.5
69.07016	1.5
70.78654	4.4
71.95248	3.1
72.96048	1.5
74.97614	1.4
79.05502	3.9
81.07039	3.3
84.96043	1.6
91.05468	4.0
93.07037	2.8
95.04972	1.3
95.08585	3.1
102.92629	3.8
103.05447	1.4
105.07019	5.3
107.04932	7.6
107.08611	2.1
117.07003	1.7
118.92094	2.2
119.08624	1.3
128.98627	2.7
133.10109	1.3
133.34715	1.3
136.93102	4.2
145.10118	2.6
146.99614	6.3
150.95590	3.6
154.94160	16.3
155.03745	1.6
157.10078	2.5
161.01192	2.1
168.95706	9.9
172.95215	43.6
177.95711	1.5
186.96774	96.9
189.04274	1.6
190.96257	29.0
195.96878	3.5
198.96826	1.6
204.97832	92.3
209.98378	10.6
210.96826	4.2
213.97873	2.5
222.98860	2.5
224.98335	6.2
226.99808	2.4
227.99455	7.3
228.97867	13.3
242.99422	18.8
245.01033	3.7
246.98799	2.3
247.99821	2.9
251.99318	1.5
261.00418	2.3
266.00961	1.9
315.15967	2.2
317.17850	100.0
318.18378	1.8
333.17490	3.4
335.18875	49.9
353.19852	2.0
358.20529	17.8
373.20493	5.9
411.16129	11.5
425.17520	10.9
429.17337	2.2
443.19016	1.9
453.17023	26.0
467.18872	13.9
467.31778	1.6
471.18213	55.4
472.18805	2.2
485.19727	32.3
485.32294	4.9
494.19687	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	485.178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01866	0.5
55.56273	0.4
66.36742	0.3
67.05500	0.5
69.61942	1.9
69.62374	1.1
70.06586	2.9
74.06100	0.4
79.05477	1.7
79.94994	0.4
81.03391	0.4
82.23320	0.3
84.01810	0.4
84.08125	0.8
86.09692	0.7
91.05418	0.6
95.04968	3.0
105.04481	0.5
107.04950	75.4
108.05293	1.7
110.07129	0.5
124.05067	0.7
130.05008	0.5
147.04358	1.0
149.04597	1.4
152.07014	1.0
166.07248	1.5
189.06552	0.8
201.06407	0.8
202.07133	0.9
203.07938	1.9
204.08795	10.9
208.95981	0.4
215.07924	0.9
216.08791	85.7
217.09642	2.5
218.10385	4.6
225.06354	2.2
226.07222	0.9
227.07991	1.2
228.08780	1.2
229.09540	0.9
230.10370	8.7
236.90630	0.4
237.02866	0.5
240.08797	19.7
241.09474	1.3
242.10405	5.0
244.08347	2.3
246.09851	9.4
246.12227	0.8
257.11493	0.5
258.09818	6.8
261.04465	0.4
268.08347	0.8
283.09311	2.4
286.09326	27.5
287.09607	0.8
315.11957	2.0
329.09818	1.0
333.12946	1.5
343.11511	0.7
347.10898	4.3
359.10815	0.5
361.12543	5.2
379.13602	100.0
380.13846	1.6
485.17761	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	485.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	28.1
57.07063	3.1
67.05511	3.3
69.52252	18.3
71.95265	4.8
81.07054	4.5
84.96032	2.4
85.38749	2.3
93.07049	2.7
98.21468	5.0
101.05270	2.4
102.92578	3.3
128.98570	4.8
136.93140	5.4
146.99625	7.1
150.95624	4.1
154.94110	16.6
155.03751	2.9
167.43199	2.6
168.95653	14.5
172.95241	56.2
177.35751	2.5
186.96803	100.0
190.96291	35.2
195.96907	3.4
204.97867	89.1
209.98543	11.8
210.96805	3.9
212.07826	2.4
213.97983	3.3
222.23718	2.5
222.98946	2.7
224.98412	9.1
226.99989	3.3
227.99564	5.4
228.97813	17.1
242.99474	19.4
261.00485	2.7
315.16660	3.1
317.17853	90.0
326.44855	2.9
333.17734	3.7
335.18921	51.7
358.20486	20.8
373.20416	5.9
411.15912	12.1
425.17288	11.9
453.17117	20.1
454.33215	2.5
467.18622	12.4
471.18219	48.0
484.47202	6.5
485.19958	21.5
485.47018	4.0
494.20020	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	485.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.8
55.93519	2.1
56.94297	1.8
56.96566	0.5
57.03434	0.8
57.57598	0.4
64.27410	0.5
67.05499	1.0
69.03423	2.6
69.07063	1.0
70.06573	2.1
70.95857	3.9
71.04993	0.8
71.59766	0.4
72.93782	7.9
79.05476	3.8
81.03410	2.0
81.07052	1.7
83.04974	6.2
84.08176	0.5
84.63441	0.4
85.02899	2.1
86.09708	0.5
88.96891	2.4
90.94821	5.1
91.03922	0.5
91.05475	4.9
93.07050	2.6
95.04956	1.6
95.08653	0.7
97.02885	2.7
97.06521	2.4
105.07022	11.4
107.04944	3.3
107.08593	2.7
108.95872	1.7
109.02868	0.8
109.06505	0.8
113.96399	0.6
116.96316	0.7
117.07038	0.7
119.08596	0.9
120.08105	0.6
121.06482	4.0
125.05975	1.0
126.98415	1.0
127.95610	0.5
128.96333	1.2
130.07713	0.5
130.97923	0.8
131.08588	0.7
132.95807	5.9
133.06477	1.6
133.10153	0.9
134.97401	1.1
135.11673	1.8
136.95357	0.5
138.98399	0.9
140.96329	0.6
142.97891	0.8
143.08528	0.9
144.95833	1.4
144.99474	0.9
145.06548	0.5
145.10110	5.3
146.97400	1.5
147.11662	0.5
148.98975	1.5
149.00352	2.0
150.96880	4.0
150.98357	0.7
152.99982	0.7
156.99562	0.5
158.07243	1.0
158.97395	6.6
159.08015	0.7
159.11679	0.8
160.98894	0.6
162.96924	2.0
163.00563	0.7
163.02010	1.0
163.11165	2.9
164.99951	4.3
166.97905	2.2
168.95795	1.0
170.97389	1.0
173.02330	0.5
173.09612	2.2
174.96890	2.6
176.98473	3.4
177.12817	0.6
178.97919	0.6
179.01535	1.0
180.99443	2.9
183.01050	0.6
183.98164	0.6
184.98923	2.5
186.96925	2.3
188.98538	0.8
189.03595	8.7
190.96339	0.5
192.97913	0.8
192.99495	2.5
196.98984	0.9
198.96858	2.0
199.00598	0.6
200.02902	0.7
203.05225	0.8
204.97920	0.8
207.00960	0.7
210.96873	1.9
211.00505	0.6
213.03749	0.5
215.00119	0.6
216.97942	4.1
217.03209	1.1
219.01271	0.5
219.04698	2.3
221.02637	0.9
228.97955	1.2
233.06253	1.2
234.98973	19.9
235.04156	1.2
237.05681	6.4
243.04765	0.7
245.02678	0.7
249.02135	0.7
249.11029	1.6
251.03648	1.8
253.00011	3.2
258.00629	1.3
259.07690	0.7
259.10013	0.6
261.05713	0.6
263.03647	6.8
277.00052	16.1
277.04861	0.7
279.06726	3.0
281.04678	10.9
293.05084	0.5
299.05743	1.8
304.06152	0.9
305.04791	1.7
315.05109	0.5
323.05743	11.4
323.14697	6.0
323.18457	0.8
333.44568	0.5
341.06815	4.0
347.05807	1.6
349.07327	1.0
359.05170	0.6
363.08859	0.5
364.08472	0.6
365.06863	1.6
390.09949	0.4
407.07849	3.2
425.08914	9.9
485.11795	3.4
485.19888	100.0
486.19934	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.033
Annotation	Unknow
Peak:m/z	Relative Intensity
70.24787	15.2
83.09836	5.3
144.07005	5.9
162.57187	6.4
193.81813	5.3
236.99777	7.1
259.00021	14.3
260.00177	7.4
260.99811	16.5
261.02994	7.8
276.97794	13.4
277.01132	23.4
278.01202	13.0
279.00903	24.9
282.99994	23.8
284.00128	11.7
284.99911	38.7
294.98676	10.6
300.97852	7.4
301.01071	68.1
301.98196	5.5
302.01050	30.2
303.00934	84.0
304.00937	8.3
316.98901	9.5
317.98752	7.6
318.98520	29.7
321.02100	6.3
328.01440	5.8
360.99625	10.0
402.01093	13.0
403.00824	17.5
404.01031	14.6
411.28018	6.3
427.01105	14.9
443.02954	33.6
445.02130	100.0
446.02145	10.3
447.01932	6.2
461.00064	28.9
485.01520	47.1
503.02429	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	484.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59247	1.0
55.05511	4.1
56.96562	6.0
57.07076	38.0
67.05500	3.1
69.07056	3.1
69.64227	1.0
70.06584	2.7
71.08636	31.2
73.06566	5.9
74.06074	1.0
79.05505	1.2
81.07064	2.0
83.08627	5.0
83.26377	1.1
85.10187	30.9
87.04471	4.0
87.21099	1.1
88.07628	2.9
89.06029	100.0
89.22876	1.0
95.08610	2.2
97.10149	1.4
97.44543	1.0
99.11746	3.1
107.07073	5.5
117.09113	3.8
130.08626	3.9
131.07021	1.1
133.08601	41.7
136.93144	1.1
141.16393	3.7
151.09666	1.6
154.94177	4.0
168.95752	3.5
172.95209	14.2
177.11220	14.6
185.19075	4.8
186.96802	32.0
190.96269	11.6
195.96841	1.5
200.20082	2.5
204.97852	30.7
209.98434	3.7
210.96710	2.3
221.13892	2.3
224.98451	2.3
227.99545	1.7
228.23283	2.7
228.97903	4.8
229.21629	6.7
239.14922	2.6
242.99384	7.7
273.24258	2.7
283.26321	3.9
311.29654	1.6
313.27325	6.0
317.17877	30.0
327.20135	6.9
333.17642	1.3
335.18835	15.6
340.53653	1.1
350.28305	1.1
358.20792	5.1
373.20395	1.6
411.16025	3.1
425.17722	3.4
453.17139	8.6
467.18909	2.6
467.35855	6.3
471.18301	21.2
484.47128	3.0
485.19846	9.7
494.19791	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	484.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01852	1.8
55.05498	4.0
56.96574	1.3
57.03423	3.5
57.07068	2.2
61.02929	5.9
66.77327	0.8
67.01862	3.5
67.05488	3.4
69.03426	12.9
69.07064	22.3
70.06586	1.1
70.22841	2.1
71.04973	2.1
73.02926	1.7
79.05487	3.5
81.03399	5.8
81.07041	7.6
83.08614	1.6
85.02896	48.4
87.04458	2.0
89.03929	0.8
91.03965	1.3
91.05472	3.6
93.07039	4.8
95.04948	1.9
95.08596	3.4
97.02895	10.7
97.06547	0.9
97.10147	2.1
99.04445	1.4
103.05531	1.0
105.07017	2.8
107.04943	32.0
107.08591	2.4
109.02862	3.2
109.06503	5.5
109.10143	5.6
111.10935	1.2
111.11707	24.0
117.06998	1.1
119.08561	2.4
121.06490	18.9
121.10129	1.6
123.11703	11.1
124.12046	0.8
125.01521	1.2
127.03901	8.9
129.06984	1.5
129.66679	1.0
131.04890	1.2
131.08553	1.6
133.06485	2.4
133.10118	2.5
135.04405	61.6
135.08002	2.9
135.11646	2.1
137.05963	25.5
143.08559	1.4
144.75444	0.9
144.99500	1.0
145.04926	4.7
145.06485	1.4
147.08034	3.4
147.11618	1.0
149.05969	29.1
149.09584	1.3
151.07581	1.9
153.05455	11.5
157.10144	1.4
161.05959	9.8
161.09596	1.9
162.08969	0.9
163.03893	61.4
163.07523	12.6
163.08788	1.3
171.07979	1.4
173.06020	1.0
174.06783	1.3
175.07542	23.5
175.09021	1.7
175.11041	1.1
177.05458	40.3
177.09071	16.0
180.08647	5.3
181.04945	31.8
185.09624	1.3
189.05495	5.7
189.09105	11.3
191.07042	7.5
191.10675	4.2
195.06505	15.2
203.06995	6.2
203.10667	14.2
207.06516	2.1
217.08658	5.0
221.08075	16.8
229.07378	1.5
231.10158	6.6
234.39760	1.0
235.09616	5.0
241.15793	1.5
247.08488	0.9
248.54567	0.8
249.11391	1.1
259.16919	100.0
260.17325	2.6
287.16351	7.8
305.17261	1.7
308.14996	0.9
406.93759	1.0
484.30283	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.2
56.05039	1.7
56.25259	0.4
57.03435	0.5
60.04511	1.0
60.05640	0.6
60.07876	0.6
60.08165	7.9
67.05481	0.9
67.59530	0.3
68.05031	0.4
69.03452	0.4
69.07051	0.7
69.64318	0.3
70.02951	0.6
70.06593	32.3
70.12123	1.5
71.04976	0.5
71.06947	0.8
71.07361	3.0
72.08154	4.4
74.06081	1.0
79.05485	0.7
81.07063	0.4
83.06106	0.6
84.04033	0.5
84.04504	4.6
84.08144	4.1
85.02889	0.5
85.08426	0.3
86.06058	0.4
86.09704	43.4
87.05597	0.7
87.10025	0.9
88.03989	0.9
91.05460	1.2
93.07034	0.6
95.04961	0.4
97.02871	0.4
98.02441	0.3
98.03528	1.0
98.06052	1.4
98.98454	2.8
101.07143	0.6
101.25113	0.3
102.05568	0.6
103.05472	0.5
104.10051	0.7
104.10744	10.0
105.07002	0.5
107.04935	2.0
110.07177	3.2
111.04441	0.7
112.08732	0.6
113.07126	0.4
114.09181	0.5
115.08737	0.5
116.07072	2.0
120.08103	4.4
121.08422	0.4
125.00008	21.9
125.07100	0.4
126.05457	0.4
129.10228	2.6
130.05032	0.5
130.06467	0.4
132.08069	0.4
133.06458	0.6
136.06194	0.5
136.07527	0.6
140.04544	0.9
141.10234	0.3
143.01044	0.5
144.06564	5.3
152.08186	0.5
153.65854	0.4
157.07231	0.9
161.09206	5.4
164.08250	1.0
173.12947	0.6
175.11899	0.6
181.53569	0.5
183.14931	3.7
184.07341	100.0
185.07661	0.9
209.10359	1.1
210.08713	0.4
211.14473	3.1
223.10669	0.4
231.04579	0.5
235.11919	0.4
266.21176	0.7
272.13620	0.7
274.17538	1.7
296.86685	0.4
324.22672	0.8
351.20013	0.4
369.21451	0.6
371.22922	2.1
389.53546	0.4
422.27454	0.6
466.21606	1.6
466.27591	2.4
484.21817	4.0
484.31271	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	484.231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15982	0.8
55.01874	1.0
55.05509	1.8
56.05035	3.0
56.96564	3.3
57.03443	1.3
58.06576	2.0
59.07399	0.7
59.41068	0.8
60.04526	1.2
60.05674	1.0
60.08162	16.6
60.09211	1.0
67.05496	3.8
69.03423	2.4
69.07080	1.7
69.53862	5.3
69.86580	0.8
70.02962	0.8
70.06592	36.9
71.04991	1.5
71.06965	1.6
71.07372	6.2
72.08157	8.3
74.06088	1.4
79.05484	2.0
81.03420	1.9
81.07053	2.3
82.06575	0.9
83.04989	2.1
83.06103	0.8
84.04501	6.3
84.08143	11.2
85.02912	2.4
86.09703	62.3
87.10020	1.5
88.04001	1.3
91.05475	1.7
93.07040	2.1
95.04955	2.0
95.06095	0.9
97.02909	0.9
97.07632	0.7
98.03537	2.5
98.06049	1.0
98.98481	4.4
102.05556	1.1
103.05445	1.5
104.10741	92.9
105.07030	1.1
105.11063	1.3
107.04956	19.7
107.08609	0.9
108.08137	0.9
109.02902	1.1
110.07187	5.2
111.04437	2.6
112.08717	1.5
116.06370	0.9
116.07129	3.2
117.07027	1.0
120.08118	6.5
121.10152	1.0
123.04453	0.8
124.99998	29.6
125.00890	1.5
127.03855	1.0
129.06854	0.7
129.10234	5.3
130.05028	1.4
131.04994	1.9
133.02853	0.8
133.06464	1.6
133.07603	0.8
135.11729	0.9
136.06197	1.3
136.07558	1.8
138.05473	1.4
140.04533	2.2
142.03406	3.5
145.06528	4.7
150.06633	0.9
151.03951	1.0
152.08228	1.5
154.03357	1.6
155.08214	1.0
157.06500	2.8
159.08075	1.6
163.03911	1.5
163.11162	1.8
164.08232	2.3
169.06401	1.0
169.13326	0.9
172.04378	0.8
181.12254	1.3
182.04726	2.2
183.14961	1.5
184.07336	100.0
185.07782	0.9
189.39180	0.7
191.05228	3.3
191.08150	1.4
195.24034	0.8
197.37099	0.8
200.05748	2.6
207.07689	3.0
209.10338	1.7
210.08803	1.1
215.08220	1.0
215.16109	0.8
229.15498	1.0
241.07910	1.8
251.10716	1.9
254.06694	1.0
258.11136	0.8
261.05490	1.6
263.07373	3.6
263.10544	1.8
263.57446	1.0
265.04977	3.4
266.05096	1.0
266.21140	2.2
272.13550	1.9
279.06445	7.8
283.06158	1.1
283.15399	0.8
289.04993	2.2
297.07367	1.3
303.06592	2.5
307.05865	6.1
321.07639	2.1
325.07077	1.2
345.07361	1.8
363.08578	2.3
381.09775	1.3
405.09918	1.0
422.21783	0.9
422.27560	2.4
447.10849	1.5
465.11771	1.1
466.21198	5.0
466.26910	3.6
484.22690	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	484.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.6
56.05020	1.2
57.03424	0.6
58.06613	0.5
60.04508	0.5
60.07879	0.5
60.08163	6.8
64.91827	0.2
67.05486	1.1
69.03409	0.4
69.07047	0.5
69.76979	0.7
69.77393	1.0
70.02895	0.3
70.06590	10.5
71.04977	0.3
71.06963	0.5
71.07363	4.1
72.08145	2.8
73.89940	0.3
74.06076	0.5
79.05475	0.9
81.03415	0.5
81.07050	0.6
84.04498	2.3
84.08138	4.0
85.02901	0.5
86.09704	34.9
87.09988	0.4
88.03968	0.4
91.05473	0.9
93.07045	0.7
95.06057	0.4
95.08582	0.4
97.02917	0.3
98.06004	0.4
98.98457	3.0
101.07169	0.3
102.05532	0.8
103.05457	0.3
104.05289	0.3
104.10737	8.6
105.07027	0.5
107.04939	1.9
107.08572	0.3
109.10176	0.3
110.07172	1.8
115.08650	0.3
117.06993	0.4
120.08117	1.5
121.10145	0.5
125.00001	21.3
127.08670	0.3
129.10231	2.4
130.05002	0.6
130.06534	0.5
131.08507	0.3
136.07542	0.9
143.01036	0.5
160.07571	0.6
175.41148	0.3
184.07335	100.0
185.07683	1.2
194.01190	0.3
198.69011	0.3
201.12431	0.3
210.15012	0.3
258.11026	0.4
301.16656	0.3
330.84940	0.3
400.78290	0.3
466.21985	1.4
484.16418	3.5
484.22983	4.0
484.29849	0.5
490.17679	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.2
55.01865	5.1
55.05507	21.8
56.96574	3.7
57.03436	6.1
59.70026	3.3
61.02919	8.9
67.05495	28.9
68.99775	7.8
69.03419	28.8
69.07058	24.5
70.06568	4.7
71.04987	7.0
71.59846	7.2
73.02925	6.9
74.84953	3.9
79.05117	3.3
79.05476	22.4
81.03412	23.8
81.07057	55.8
83.04957	4.6
83.08589	7.6
85.02897	49.8
87.00820	14.7
91.05499	23.0
91.74737	3.8
93.07044	32.5
95.04968	9.5
95.08599	100.0
97.02878	23.4
97.06515	9.0
97.10179	6.9
99.04457	8.4
102.55383	4.5
105.01856	13.4
105.07020	39.0
107.04952	14.3
107.08589	64.8
109.02876	24.1
109.06528	6.0
109.10154	43.8
111.04444	7.6
117.07011	4.2
119.08590	44.2
121.06545	5.2
121.10139	34.4
123.04396	8.1
123.08096	8.8
123.11726	20.0
125.09580	6.6
127.03911	35.3
127.11196	3.7
129.01823	12.7
131.08543	15.7
133.10130	30.6
135.08080	4.0
135.11707	22.8
137.13264	8.0
145.04938	7.8
145.10126	15.9
147.02879	10.8
147.08038	4.2
147.11720	23.0
149.13271	17.1
151.11198	5.1
153.05423	4.0
155.08575	6.3
157.10208	6.5
159.02928	5.8
159.11682	14.5
161.09642	6.6
161.13263	18.1
163.14807	8.3
169.10144	5.8
171.11716	9.0
173.13284	14.1
175.14845	11.2
177.16411	43.1
183.11798	4.3
189.16515	5.4
201.16414	4.0
203.17960	8.6
213.03937	4.1
215.17957	15.0
217.19511	38.0
227.17953	6.6
229.19501	4.3
231.05020	4.6
233.19025	7.4
235.20506	12.0
241.19667	3.9
253.06418	4.0
257.19202	3.6
325.21661	11.0
343.22668	8.2
405.84464	3.7
421.24915	3.6
429.22864	11.0
447.23987	11.2
465.24722	10.5
483.26068	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	483.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.9
56.96298	1.4
56.96563	25.4
58.08141	0.7
67.05473	1.2
70.06586	1.9
71.20444	1.3
71.95245	2.2
74.97604	1.0
75.10326	0.7
80.16205	0.8
81.07023	1.2
84.05643	0.9
84.08151	1.0
84.95370	0.8
84.96011	1.0
91.05481	1.3
92.60303	0.9
93.07069	0.8
95.08580	1.0
107.04968	1.3
107.08569	0.9
115.97764	0.9
119.08551	1.0
121.10188	0.8
123.01218	1.5
128.98590	1.7
132.36848	0.8
141.02229	0.9
146.99612	4.2
147.03284	1.3
155.03773	1.1
159.03247	1.1
161.01262	1.5
165.00703	1.1
169.01634	0.9
185.04851	1.2
187.02789	2.2
189.04280	1.4
199.06493	1.7
203.05876	1.5
213.07976	1.4
217.07477	2.2
221.08614	1.1
225.07835	1.2
229.07413	1.1
235.06363	1.0
239.09506	2.4
251.09566	3.7
253.11145	1.7
255.08992	1.0
257.10593	2.6
263.09433	1.0
265.11099	1.8
269.10568	4.1
275.09650	0.9
275.13348	1.1
277.11108	10.5
279.12756	1.7
283.12097	1.4
291.12677	3.3
295.12311	4.6
297.13574	1.2
309.13754	3.1
313.14661	1.1
331.15768	43.5
332.15955	0.9
347.15405	1.2
349.16852	100.0
350.17242	1.6
365.16119	1.0
367.13333	0.6
367.17825	18.3
372.18454	14.0
390.19528	2.6
393.19397	1.1
423.20557	6.5
465.20566	2.8
483.31204	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00420	0.9
51.11544	0.8
51.47282	0.9
55.05488	1.0
56.96295	1.6
56.96566	26.5
69.07068	1.8
70.06580	1.5
71.59509	1.3
71.95260	2.6
72.96062	1.4
76.28775	0.9
79.05473	1.8
81.03428	1.0
81.07073	1.6
84.08116	1.4
88.43378	0.8
93.56025	0.9
95.08665	0.8
102.89413	0.8
105.07024	1.1
107.04931	1.0
118.25025	0.8
118.51378	1.0
119.08620	1.1
123.01289	1.0
128.98608	2.2
131.08516	0.9
141.02284	1.7
144.72525	1.0
146.99628	4.2
147.03255	1.5
161.01239	0.9
165.00771	1.3
169.01682	0.9
173.04872	1.6
187.02759	2.1
189.04306	1.2
191.05881	0.9
199.06445	1.9
203.05786	2.1
213.08083	0.9
215.38373	0.9
217.07529	1.7
221.08612	1.0
225.08026	1.5
239.09554	2.2
248.22778	1.0
251.09656	5.2
253.11092	1.0
255.09331	1.3
257.10571	2.7
263.09409	1.4
265.11053	1.5
269.10651	2.8
271.12198	1.2
277.11133	6.8
279.12494	1.2
283.12152	1.3
291.12750	3.0
293.14166	1.4
295.12170	4.2
309.13635	4.3
309.30826	0.8
313.14679	2.2
331.15781	45.2
349.16861	100.0
350.17007	2.8
367.17883	16.3
372.18478	13.8
390.19690	2.7
393.19400	0.9
415.52155	0.9
423.20331	4.7
483.30609	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	483.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.0
54.74350	1.9
55.01855	3.0
55.05506	9.3
57.03431	3.3
57.07050	2.1
59.04983	3.4
67.05501	21.7
69.03420	15.0
69.07056	7.7
69.62822	14.9
69.68794	1.7
70.04075	3.8
70.06568	8.2
71.04982	3.8
71.43307	1.9
72.08143	3.4
76.69887	1.6
79.05495	13.9
80.05508	1.9
81.03415	14.4
81.07054	22.0
82.72621	1.6
83.04999	3.0
84.04520	2.2
84.08109	1.7
85.02908	16.1
86.09699	7.3
87.00805	5.8
90.59287	2.0
91.05469	20.7
91.83134	1.8
93.07040	48.1
95.04956	15.0
95.08599	21.1
97.02869	7.5
97.06519	10.5
97.10163	2.5
99.04432	4.8
104.10742	1.9
105.01839	4.1
105.07029	27.3
107.04964	15.7
107.08588	12.9
109.02885	10.2
109.06532	13.5
109.10156	16.7
111.08069	20.4
117.06992	2.6
119.08582	23.4
120.08092	3.8
121.06482	7.9
121.10126	27.8
123.08083	23.6
123.11696	2.2
125.05976	2.3
125.09629	11.1
127.03902	17.7
128.06154	2.4
129.06993	4.0
131.08562	8.2
133.10109	16.4
135.08032	5.9
135.11705	3.0
137.00127	2.0
137.09605	32.5
142.07753	3.3
143.08525	6.8
144.09233	2.7
145.04955	4.6
145.10153	10.6
147.08044	3.3
147.11673	11.3
149.09625	17.1
157.10118	8.6
159.02922	2.5
159.11699	11.6
161.09575	9.4
161.13226	10.9
163.11153	5.2
171.11569	3.2
172.07813	1.8
173.13329	2.1
175.11177	7.1
175.14729	3.2
177.12692	2.1
184.07336	4.8
186.01877	2.1
189.16362	7.6
199.14830	6.4
217.15863	100.0
219.17448	10.0
235.16875	21.1
283.20313	2.0
322.13220	2.3
441.37671	2.4
465.21863	2.1
465.29626	2.3
483.21283	3.5
483.27316	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.5
57.03416	0.5
58.15654	0.4
61.02908	0.8
67.05489	1.1
69.03421	1.0
69.07055	0.6
69.88251	0.7
69.88657	2.0
70.06576	0.5
70.20094	0.4
72.08160	0.6
73.02863	0.5
79.05489	0.8
81.03409	0.9
81.07069	1.0
83.04984	0.4
85.02908	1.2
91.05471	1.1
93.07059	1.2
95.04974	0.9
95.05999	0.5
95.08571	0.7
97.02900	0.8
97.06489	0.6
98.21516	0.4
105.07022	0.8
107.04956	4.1
107.08588	1.4
109.02868	0.8
109.10148	0.7
117.06998	0.5
119.08569	1.0
121.06507	0.7
127.03915	0.6
133.10147	0.7
145.10168	0.5
149.13237	0.6
211.99998	0.8
224.10733	0.5
225.27141	0.4
250.58287	0.4
259.08160	0.5
283.13849	0.7
298.05142	0.5
321.16666	1.3
344.05917	1.9
360.19403	0.6
417.42963	0.4
421.12082	0.5
423.10147	0.8
439.22998	0.6
439.28778	0.5
447.09982	0.4
465.11148	2.3
483.21967	100.0
484.22339	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.5
61.02917	0.4
67.05479	1.2
69.03436	0.7
69.07046	0.8
69.28465	3.4
70.06587	0.5
73.02890	0.8
79.05493	0.7
81.07037	1.2
84.08127	0.3
85.02894	0.8
87.04422	0.5
89.05991	0.7
91.05463	1.0
93.07024	1.1
95.04958	0.4
95.06046	0.5
95.08586	0.8
97.02874	0.5
97.10172	0.3
98.20685	0.8
105.07037	0.5
107.04949	4.2
107.08559	0.6
109.10146	0.5
119.08581	0.6
121.10102	0.6
127.03889	1.0
133.10005	0.4
169.11356	0.3
185.04213	0.6
197.13734	0.3
203.05460	0.3
235.16730	0.4
237.01996	0.3
243.05408	0.3
254.15335	0.7
259.08014	0.4
282.44302	0.4
289.05298	0.5
321.16519	0.4
360.19687	0.8
375.03943	0.7
397.21298	0.6
439.22858	2.9
465.20956	1.2
483.21954	100.0
484.22348	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1838
Annotation	Trp Asp Tyr
Peak:m/z	Relative Intensity
52.34057	0.4
56.96569	0.7
58.99918	0.4
61.79777	0.5
67.05512	0.5
68.68489	0.5
70.06601	3.0
70.77533	1.4
72.08140	0.5
73.21708	0.5
81.03397	0.6
84.04501	0.5
84.08170	1.1
86.09680	1.9
98.97562	0.8
107.04948	5.0
108.05318	0.8
110.07153	1.4
114.35093	0.5
116.98578	0.7
119.04957	0.5
120.01163	0.6
120.08074	0.9
121.06486	0.6
127.61370	0.4
129.10242	1.1
134.05966	0.5
147.04364	2.4
152.07080	1.0
165.23439	0.5
174.43980	0.4
202.09744	2.0
207.05391	0.6
273.11908	0.9
285.12170	0.7
321.31583	0.5
339.11264	1.3
349.16269	1.2
353.17810	0.6
377.14536	1.7
483.18365	100.0
484.18958	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	483.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.6
51.02609	0.3
53.03935	0.8
58.99586	0.4
60.04540	0.4
61.01144	1.0
65.62464	0.4
67.05502	0.7
69.03415	0.5
69.85584	0.7
69.85990	1.5
70.06586	4.2
72.08166	1.0
76.02225	3.9
76.12012	0.3
78.03773	0.4
79.05487	2.0
81.03407	1.3
81.07033	0.4
84.04553	0.4
84.08140	0.8
86.00649	1.0
86.09688	1.3
88.02206	0.6
94.06548	0.5
95.04979	2.5
96.08124	0.6
98.03529	0.8
98.11821	0.3
106.06571	0.5
107.04947	100.0
108.05296	1.0
110.07152	0.6
112.85036	0.4
116.07104	0.7
120.08112	0.4
121.07550	0.4
122.02718	0.7
122.06021	7.6
124.07561	3.0
129.10274	0.5
132.01164	0.8
134.06010	27.6
136.07607	0.7
137.05966	1.0
140.07050	0.8
149.07080	3.1
150.05499	17.6
152.07057	72.8
154.08633	0.6
158.05623	0.5
163.03931	0.4
164.07053	0.4
168.06548	0.7
175.08672	1.8
176.09445	2.8
177.07793	0.4
180.04800	1.0
182.06348	11.8
182.07893	0.6
184.04340	1.6
184.07950	0.5
186.05841	0.8
193.12263	0.5
194.12653	0.5
207.05992	0.6
209.07457	1.6
210.08774	0.6
219.07646	1.4
224.59573	0.3
226.05318	3.5
227.08472	4.4
228.06651	0.5
237.08734	1.4
238.08644	0.7
240.16978	0.3
246.11263	2.8
253.06424	1.3
256.09668	1.3
258.11246	12.6
262.86508	0.4
271.07474	13.0
273.11923	3.1
285.12650	0.4
286.17551	0.5
289.01303	0.3
303.19934	0.4
333.12683	11.9
350.91586	0.3
377.11649	23.6
439.16858	4.6
447.88147	0.3
465.25027	0.5
483.15805	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	2.1
70.23320	5.6
72.23402	2.2
77.00890	4.1
81.03426	3.2
85.02902	4.3
89.03953	2.2
94.99913	2.3
95.01920	2.5
97.02869	4.6
98.97592	5.9
101.00871	5.7
101.99129	2.1
107.04929	6.4
115.02481	2.5
116.98618	3.4
119.01907	32.3
131.01886	18.0
132.09509	2.3
133.03493	3.5
134.99709	2.3
135.04384	2.4
137.02962	8.4
143.01872	14.8
145.03503	15.0
147.01512	2.3
147.04395	8.2
149.02991	5.2
155.00591	3.2
155.01833	21.6
156.97882	2.1
157.03439	15.5
161.02957	25.5
163.02730	2.4
163.03978	4.5
167.01894	4.6
169.03520	4.0
171.05034	3.6
173.02957	46.2
175.04507	7.4
177.02364	3.1
177.05559	2.9
185.02931	46.2
187.04468	8.7
189.05920	2.7
195.03479	3.5
197.02950	13.5
201.02415	24.2
201.04201	4.0
201.06003	10.7
203.04013	23.0
209.02972	3.8
210.97655	4.3
213.02443	7.0
215.03955	10.2
219.01381	4.3
219.03479	81.8
221.05063	20.5
227.03986	7.5
231.03519	8.6
237.02669	5.4
237.04784	4.8
239.04027	3.6
239.06137	18.4
243.03584	3.7
243.07182	2.7
245.05057	89.9
249.04506	11.1
255.03616	3.5
257.05063	4.2
261.04559	13.8
263.06088	31.5
275.06085	51.3
275.08926	4.3
279.05530	5.1
293.07095	5.9
295.08603	2.3
303.05695	18.2
305.07123	14.6
321.06671	38.1
335.08279	3.2
339.07706	3.4
342.08932	3.5
348.95993	2.7
363.07535	2.8
365.09445	10.4
383.10443	5.2
483.11179	34.8
483.18311	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.6
57.03427	7.4
57.07075	35.5
64.17039	1.7
67.05481	7.6
69.07059	6.1
71.08628	21.3
71.59100	2.9
79.05486	2.8
81.07045	11.1
83.08609	7.4
85.10178	15.6
89.06007	9.5
93.07034	2.4
95.08602	11.2
97.10165	6.3
99.65143	1.8
109.10189	4.7
109.49485	2.2
111.11786	2.5
125.09605	3.5
133.08636	4.3
156.05458	6.2
177.11261	2.7
189.05261	2.3
190.05618	2.1
283.17462	3.5
310.30975	9.4
341.30490	100.0
342.30988	3.3
370.13602	3.3
434.19028	2.2
465.38388	2.8
482.26370	27.8
482.32986	4.6
483.27289	4.2
483.34628	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	483.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34050	1.1
56.52363	1.4
56.86110	1.1
71.57369	1.9
119.01951	2.5
161.02975	1.6
173.02950	2.6
185.02997	2.7
201.02409	2.2
219.03525	3.3
228.57509	1.2
245.05083	5.0
299.61102	1.6
321.06589	2.1
333.99594	1.2
388.79001	1.3
483.08945	100.0
484.09164	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3242
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
53.47303	1.7
56.29285	1.6
57.03433	3.5
57.07078	22.3
62.06088	22.8
67.05501	4.7
69.07062	3.2
71.08630	16.5
71.49850	2.5
72.21865	1.7
78.00467	1.9
81.07050	8.2
83.08651	3.0
85.10194	9.5
86.28885	1.8
89.06020	5.4
93.61282	1.6
95.08601	8.2
97.10178	2.1
98.98472	5.3
105.41180	1.9
109.10162	3.4
111.12906	1.6
123.11706	2.0
133.08551	2.7
155.01086	8.5
198.05139	2.3
216.06474	2.8
259.12015	1.7
310.30988	10.4
334.03967	1.7
337.62286	1.6
341.30505	100.0
342.30966	4.1
360.59937	1.8
421.27051	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	482.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	0.4
56.88065	0.3
57.07068	1.1
58.06605	0.5
60.08166	6.6
67.05486	0.4
71.07375	3.0
71.08630	0.7
71.20090	0.5
81.07043	0.6
85.10177	0.2
86.09708	30.6
86.50388	0.2
90.82656	0.2
95.08600	0.5
98.98473	3.2
101.69038	0.2
104.10757	2.7
125.00007	22.6
134.61961	0.2
143.01024	0.4
184.07344	100.0
185.07712	0.7
186.27010	0.2
276.57614	0.2
299.25772	0.4
323.21194	0.2
464.31293	0.8
482.32474	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	1.4
57.07078	3.1
58.06590	1.1
60.08160	14.1
67.05499	0.9
69.07079	0.8
70.11682	1.2
70.12077	1.5
71.07378	6.1
71.08618	2.4
81.07038	0.8
81.78475	0.6
83.08595	0.7
85.10197	0.7
86.09703	49.0
89.63197	0.6
95.08565	0.7
98.98456	3.9
103.99173	0.6
104.10739	100.0
105.11139	0.7
124.99994	26.7
137.66341	0.6
146.25580	0.6
163.01614	1.0
184.07333	99.9
258.11017	0.9
299.25809	1.8
390.60300	0.7
418.51013	0.8
437.80786	0.6
439.42841	0.6
464.31372	9.3
482.32352	24.5
483.32300	1.3
486.28253	0.6
497.13608	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.05505	10.0
56.05010	1.1
56.69139	0.9
57.03429	7.6
60.04515	1.1
61.02922	4.5
67.05499	9.9
68.55241	0.9
69.03421	5.7
69.07056	4.3
70.06589	8.5
71.02194	1.1
71.04989	5.3
71.60346	1.5
72.08147	1.7
73.02912	4.5
79.05484	11.7
81.03412	39.1
81.07056	15.1
83.04978	8.1
83.08614	14.4
84.04499	1.6
84.08133	3.0
85.02898	18.6
85.06538	1.5
86.09691	3.1
87.04461	2.7
91.03925	2.1
91.05482	14.2
93.07039	9.2
95.04965	15.8
95.08606	4.5
97.02880	7.9
97.06523	2.7
98.06060	1.2
99.04475	1.0
99.08093	1.8
103.03913	1.5
103.38073	1.0
105.07036	12.0
107.04953	18.2
107.08557	5.3
108.05246	1.8
109.06499	2.8
109.10166	2.2
110.07167	3.3
111.04446	1.8
111.08072	6.9
113.06007	1.6
115.03931	1.2
115.05434	1.5
119.04960	1.5
119.08580	7.9
120.08078	2.2
121.06497	3.7
121.10136	4.9
123.08083	1.2
123.11716	1.8
127.03910	3.5
129.06981	5.3
129.10327	1.3
130.04959	1.5
131.08542	5.4
133.04955	1.8
133.06517	2.5
133.10101	6.8
135.11696	5.0
136.06131	1.6
136.07581	1.4
137.09673	1.7
145.04987	2.1
147.08018	1.9
147.11662	10.3
149.09584	3.8
153.12730	26.8
157.10110	7.3
163.04094	1.2
165.12808	2.9
171.13789	1.4
175.11139	9.7
191.08115	2.2
193.12241	45.1
210.14922	1.3
211.13289	38.4
211.15279	2.4
216.46140	1.1
267.15912	17.3
285.16949	100.0
286.17282	1.9
287.05429	1.9
302.19537	1.3
350.13562	1.4
353.25443	1.3
482.17328	2.3
482.27939	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	482.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.9
53.03938	2.6
55.01857	2.2
55.05497	2.9
56.05020	3.2
56.96578	1.0
57.03425	2.7
57.92344	0.7
61.01139	0.9
61.02921	6.8
67.05501	7.9
68.05013	1.9
69.03433	3.7
69.07078	1.7
70.02949	1.9
70.06587	14.2
71.04963	1.8
72.04496	3.5
72.08146	3.4
73.02908	4.1
76.02211	2.8
79.05479	7.3
80.04993	3.1
81.03412	38.8
81.07045	7.0
82.06559	2.1
83.04964	2.9
83.08611	10.5
84.04503	1.9
84.08132	3.1
85.02893	8.7
86.09696	3.1
88.02186	0.8
88.03972	0.9
91.03931	4.9
91.05481	6.8
93.07028	4.1
94.06561	1.0
95.04962	13.9
95.08601	3.5
96.04494	1.3
97.02879	6.8
97.10148	0.9
98.06045	0.9
99.04436	1.1
101.91715	0.7
102.05546	1.3
105.07006	5.4
107.04948	100.0
107.08572	1.7
108.05258	0.7
109.10149	1.3
110.07162	2.1
111.04472	1.6
111.08057	4.7
112.07660	1.0
116.07056	1.6
119.08570	3.4
120.08098	2.5
121.06461	1.4
121.10137	3.5
122.06023	8.6
123.04408	1.4
124.07592	2.2
127.03902	2.4
129.06990	3.3
129.10271	1.8
131.08586	5.3
132.01112	1.4
133.06488	1.9
133.10193	1.8
134.06012	23.3
135.04453	1.2
136.07533	1.7
137.05962	4.3
138.12735	2.8
140.07202	0.9
142.07735	0.9
144.06580	1.6
145.02818	1.1
145.04900	0.9
147.04379	2.4
147.08055	0.9
147.11682	4.8
148.11194	1.9
149.07111	2.6
149.09659	4.2
150.05501	14.9
152.07053	61.4
154.08603	0.9
157.07170	0.9
157.10182	5.2
162.07660	1.1
164.08157	1.2
165.12695	1.2
166.12259	6.6
168.06549	0.8
175.08702	1.1
175.11148	7.2
176.09470	1.8
177.05460	1.2
180.04773	1.2
180.08704	1.1
182.06351	13.7
182.15382	6.9
184.00243	0.8
184.04262	1.6
184.13322	5.1
186.05751	1.4
192.13806	2.0
193.12228	47.7
206.72690	0.8
209.07448	1.2
210.14879	15.2
211.13274	3.1
219.07660	1.9
221.05144	0.9
226.05252	2.3
227.08458	4.5
237.02794	0.8
238.09094	0.9
246.11124	1.3
256.09576	1.1
258.11227	9.1
258.16968	5.8
267.15887	24.7
271.07382	9.6
272.13489	1.5
273.11972	1.8
276.18088	2.5
284.18692	2.0
285.16937	46.9
302.19583	21.7
309.16733	2.2
320.20728	0.9
332.67065	0.9
333.12622	12.5
376.19180	1.2
377.11618	20.6
439.16922	4.5
446.23618	2.2
464.24866	26.5
465.25183	0.9
482.25763	1.3
483.15738	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	481.2696
Annotation	Alangicine
Peak:m/z	Relative Intensity
53.03927	2.0
55.01864	1.0
55.05504	4.4
56.96577	0.8
61.02913	0.7
66.74998	0.6
66.79549	0.6
67.05502	3.7
69.03403	0.6
69.07071	1.0
70.02937	0.6
70.06575	2.0
71.59991	0.7
72.08120	0.7
73.02911	0.7
79.05493	2.3
81.03397	1.7
81.07064	3.5
82.88107	0.6
83.04959	0.6
83.08620	2.7
84.04478	0.6
84.08098	0.6
85.02885	0.9
86.09699	0.9
87.04453	0.6
89.05996	0.8
91.05471	10.3
93.07034	17.8
94.06580	0.9
95.04956	5.0
95.06049	0.7
95.08595	2.1
96.04475	2.1
97.02908	0.7
97.10173	3.3
98.97567	0.6
103.05468	9.9
105.04469	0.9
105.07031	1.5
107.04953	19.5
107.08589	1.8
108.04501	1.1
109.07628	0.9
109.10191	1.0
117.06988	1.0
119.08551	1.1
120.08104	0.9
121.06499	100.0
122.06026	1.1
123.08116	0.9
125.09614	2.4
130.34413	0.5
133.10106	1.1
135.11716	0.9
136.07631	1.0
137.05974	2.0
137.09607	0.8
145.06477	0.8
145.10109	0.9
146.05904	0.8
148.07559	1.8
149.09702	0.6
161.08334	0.9
161.09605	1.0
166.08766	0.6
172.07590	1.5
174.09152	1.2
176.03432	0.6
178.07330	0.7
178.12294	1.2
184.07584	1.0
185.08354	0.9
186.09135	2.2
188.07076	0.7
188.10747	1.9
198.09174	1.7
198.97383	0.6
200.07072	8.7
200.10793	1.1
201.05954	1.0
201.07837	20.3
202.08624	10.8
203.05472	0.6
204.10159	0.6
206.11777	3.8
214.08604	13.1
216.10268	3.4
220.13397	0.8
226.08562	1.2
227.09340	0.7
230.08136	2.6
231.11221	1.4
256.13443	0.7
270.18503	0.9
283.11063	0.8
298.17984	13.3
308.16415	1.6
316.19119	2.4
326.17477	49.5
327.17792	1.1
344.18533	10.9
357.21771	5.9
369.09827	0.7
399.38583	0.7
481.26953	93.8
482.27020	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	482.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.6
55.01870	6.1
55.05496	12.6
56.96543	3.1
57.03432	5.4
57.07065	12.3
57.22139	2.7
61.02913	7.4
65.03946	3.3
67.05485	10.0
68.05834	3.1
69.03431	21.2
69.06718	4.6
69.07063	57.1
70.06583	4.8
70.19302	9.9
71.04987	12.3
71.08622	9.3
73.02898	4.9
73.06548	8.6
79.05485	9.4
79.05958	2.5
81.03416	14.7
81.07041	11.4
85.02895	50.5
85.10178	5.1
87.00814	23.1
89.06007	22.3
91.03985	3.5
91.05471	8.4
93.07027	6.3
95.04962	3.5
95.06086	2.9
95.08585	4.7
97.02876	27.2
99.04453	6.8
100.11315	2.6
105.01856	34.4
105.06986	3.0
107.04934	12.7
107.08560	6.2
109.02879	18.5
109.10144	7.5
111.11707	76.6
119.08527	3.1
121.06507	6.1
127.03902	44.3
129.12743	100.0
139.43683	2.7
145.04936	18.7
147.11703	4.0
159.02853	5.6
199.16937	16.3
213.03815	4.2
217.17900	9.2
231.05052	9.6
249.05981	4.9
275.08054	2.9
458.89258	2.8
482.28473	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	480.3086
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
51.00728	2.2
51.58733	1.8
55.05511	13.0
57.03436	3.5
57.07064	4.1
60.32448	2.3
62.05834	2.7
62.06093	29.7
64.77174	2.0
67.05511	11.5
69.07065	18.3
70.73648	6.9
73.85087	2.4
79.05492	4.0
81.07062	8.7
83.08609	12.5
92.21166	2.3
93.07050	3.2
95.08604	9.9
97.10183	5.6
98.98463	8.0
102.75069	2.2
108.72937	2.3
109.10159	4.0
116.91826	2.6
121.10173	3.4
135.11679	4.8
137.88625	2.3
155.01056	8.8
180.60518	2.7
216.06461	2.4
265.25287	4.4
308.29498	12.9
339.28961	100.0
340.29163	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	481.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06125	7.2
59.85712	0.7
69.21045	0.6
70.06588	4.8
70.75878	2.4
72.08144	3.0
73.02914	0.9
74.06061	0.6
74.56469	0.6
81.07076	0.9
84.04490	1.3
84.08141	1.0
85.02883	0.9
86.09692	2.9
91.05479	2.5
103.20566	0.6
105.07001	2.0
107.04957	3.3
110.07142	0.8
120.08085	1.8
129.10229	1.5
133.06480	3.1
136.07556	1.7
142.16858	0.7
161.05978	4.3
167.03107	0.8
177.05511	0.7
191.66574	0.6
193.08647	1.7
215.06778	2.8
217.04704	1.6
227.05246	1.6
232.07042	18.6
233.07797	8.4
236.96979	0.8
271.04218	5.1
293.11603	1.2
362.08530	1.0
377.11197	0.7
395.13104	5.0
421.29532	0.7
437.14175	39.7
438.14655	1.0
481.13126	100.0
482.13440	2.1
495.29315	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24571	0.7
55.05508	2.7
56.05025	0.9
57.03428	2.0
58.06593	1.4
58.66029	0.9
59.38448	0.7
60.08163	16.6
61.77101	0.7
62.47296	0.8
67.05511	4.9
69.07087	1.8
69.50845	2.9
69.51270	3.0
71.07384	7.2
79.05477	3.3
80.05888	0.8
81.07060	4.4
86.09707	49.3
89.26555	0.7
91.05470	1.9
93.07059	2.5
95.08611	2.8
97.06538	1.5
97.10205	1.0
98.98456	6.0
104.10743	100.0
105.07032	1.3
107.08636	1.4
109.10167	1.3
111.17001	0.9
121.10111	1.2
125.00004	28.4
129.07018	1.0
131.08565	0.7
133.10152	0.9
135.11646	1.0
184.07336	96.7
212.63702	0.9
213.17847	0.8
219.86844	0.9
258.11124	1.6
297.24045	1.2
303.05023	1.1
303.64026	0.8
304.05341	1.9
344.69104	0.8
349.19876	1.3
462.29700	10.0
480.30826	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.5
56.05038	0.2
57.03438	0.4
58.06609	0.4
60.08164	6.5
67.05505	0.5
68.14417	0.2
69.07058	0.3
69.95045	1.1
71.07372	3.1
79.05489	0.5
81.07050	0.5
83.08606	0.4
84.15721	0.2
85.06570	0.2
86.09707	32.0
93.07063	0.5
95.08627	0.3
97.06513	0.5
98.98468	3.0
104.10747	2.7
121.10124	0.3
125.00006	21.7
143.01082	0.6
184.07343	100.0
185.07683	0.7
395.81857	0.2
462.29468	0.9
480.30972	1.1
505.14227	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89658	1.0
52.59331	0.9
53.45476	1.0
55.05510	2.1
58.06599	1.8
59.87397	1.0
60.07892	1.0
60.08165	15.1
67.05499	2.3
69.07063	2.7
70.06585	1.4
71.07359	6.7
71.58801	1.6
71.59186	1.2
73.29074	1.0
79.05491	2.5
79.13168	1.1
81.07058	2.7
83.08619	1.7
86.09705	50.1
93.07038	1.5
95.08596	1.4
97.08231	1.0
98.98482	4.2
104.10746	100.0
125.00003	27.5
131.98090	1.1
163.03876	6.4
184.07347	99.3
207.06522	6.6
279.12286	1.1
300.28989	1.6
304.05185	1.2
304.75723	1.1
308.28592	1.2
313.92511	1.1
410.36426	1.0
416.19525	1.2
462.29739	8.1
480.30893	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	12.7
57.03444	6.4
57.07075	5.5
58.49502	1.1
58.69402	1.1
66.77050	1.2
67.05505	9.6
69.07067	18.8
69.07422	2.0
69.44716	10.3
71.08631	2.2
79.05489	5.1
81.07052	10.5
83.08621	14.1
85.10166	1.9
86.09716	1.3
86.87332	1.4
88.03986	1.3
93.07027	6.3
95.08616	11.2
97.06553	2.1
97.10169	4.8
98.98482	1.1
107.08603	4.0
109.10155	3.6
111.08030	1.1
121.10147	5.3
135.11682	4.5
158.51266	1.1
265.25485	1.6
308.29492	8.9
339.28958	100.0
340.29285	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	480.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.01884	0.6
55.05496	1.1
56.05026	2.4
56.43655	0.6
57.03442	0.7
58.06600	1.1
60.04503	1.7
60.08165	14.8
67.04239	1.7
67.05499	2.3
68.05017	4.1
69.05812	5.2
69.07071	2.4
70.02959	0.6
70.06592	19.7
70.98614	1.4
71.04988	0.8
71.06949	1.0
72.08150	6.6
72.12656	0.6
74.02472	0.7
74.06072	1.6
76.02216	0.8
79.05480	2.0
81.03424	1.3
81.04532	0.6
81.07070	3.2
83.06107	1.1
84.04502	4.6
84.08149	8.6
85.01122	0.7
85.02869	0.9
86.00664	0.9
86.06049	1.0
86.09212	1.0
86.09704	13.9
88.03986	1.2
91.05466	3.5
93.07026	2.2
94.06554	0.7
95.04953	1.9
95.06084	1.7
95.08607	1.4
97.06529	0.7
98.00673	1.1
98.06040	1.1
100.02222	2.9
101.10696	0.7
102.05540	1.7
103.05473	1.4
104.10750	1.7
105.07026	5.2
107.04955	3.8
107.06073	1.1
107.08582	1.8
108.06826	0.7
109.10138	2.2
110.07172	3.9
111.05575	1.7
111.76376	0.6
113.10786	2.2
115.08660	1.2
116.07082	1.2
117.07027	3.1
119.04913	0.9
119.08601	3.4
119.24190	0.6
120.04743	0.6
120.08109	7.1
121.08385	0.7
121.10158	1.0
123.04450	0.7
123.08099	0.7
125.00009	0.9
125.01672	1.3
126.02486	3.9
127.03258	50.9
129.07014	1.2
129.10245	6.0
131.08589	3.7
133.06514	5.2
133.10115	1.4
134.20403	0.6
136.07559	1.4
137.07098	1.5
137.09647	4.0
139.03256	1.3
141.06978	0.7
143.02798	1.0
143.08507	1.6
143.11792	0.6
145.06512	3.3
145.07523	0.6
145.10081	2.5
147.08054	2.3
149.09656	0.7
152.04054	0.6
155.08463	0.7
155.11865	0.6
156.09273	0.7
157.10088	1.3
158.10898	0.8
158.13174	0.7
159.08044	3.0
159.09190	1.0
159.11707	2.0
161.09653	1.4
161.13240	0.9
163.11159	0.7
169.12161	0.9
171.11606	1.5
173.13126	2.7
177.10304	0.7
184.07353	6.5
184.09047	9.1
184.10637	0.6
185.09824	5.5
186.10596	1.5
187.11038	1.0
189.12630	0.8
191.06447	0.8
191.71446	0.7
193.12189	0.7
196.14511	1.5
197.13225	1.0
198.10591	4.9
200.12013	0.8
200.13945	0.6
201.12560	1.0
203.14342	2.4
210.10654	1.3
211.11395	2.0
212.12198	1.8
215.14320	2.9
224.07166	0.6
225.10272	0.9
229.12212	0.9
293.16537	1.2
299.10367	0.7
303.05188	0.8
304.05426	2.4
305.17520	1.8
323.18616	1.0
329.16937	1.7
339.17987	1.1
341.16833	1.8
359.17691	4.3
363.01324	0.6
418.25308	1.9
432.23361	0.9
436.26294	100.0
437.26462	1.9
444.17435	0.7
462.16467	3.2
468.69669	0.6
480.25137	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	480.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92195	0.8
55.01860	1.3
55.05510	3.8
56.56700	0.7
57.03429	1.8
61.02924	3.6
67.05498	5.8
69.03423	1.9
69.07053	2.9
70.06593	2.1
70.75858	2.6
71.00878	0.7
71.04985	1.6
72.08146	1.2
79.04638	0.8
79.05484	10.0
81.03413	1.0
81.07047	6.3
83.04971	0.9
83.08633	4.0
84.08139	1.1
85.02906	3.6
86.09707	0.9
87.04465	2.1
88.21194	0.8
89.06018	2.7
91.03940	1.4
91.05471	2.3
93.07042	14.4
95.04966	2.8
95.08594	16.6
97.02881	3.5
97.06524	1.5
99.04456	2.1
99.67784	1.0
105.07007	2.3
107.04959	7.1
107.08582	11.0
109.10138	0.9
117.07053	3.9
119.08556	4.1
120.08134	1.2
121.06485	4.5
121.10139	6.0
125.06001	2.5
127.03900	1.0
133.10176	1.5
135.11682	25.7
139.07538	0.9
145.10121	15.6
152.11319	0.8
163.11169	40.1
181.12216	8.0
184.07323	1.2
227.12772	57.4
244.46588	0.8
283.15378	100.0
284.15857	1.2
301.16541	1.9
317.06601	6.3
318.06854	14.1
360.87888	0.9
480.25357	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26828	0.9
55.01859	1.6
55.05508	4.3
57.03441	2.5
61.02914	1.9
61.99204	0.9
67.05500	5.3
69.03419	1.5
69.07058	2.6
70.06581	6.8
70.10557	3.3
71.04998	1.1
71.55313	0.9
72.08161	1.5
73.02938	1.8
79.05492	9.8
81.03406	1.9
81.07059	7.1
83.04985	1.3
83.08614	4.3
84.04512	1.3
84.08132	1.8
85.02904	3.3
86.09717	2.6
87.04462	1.1
89.06016	1.0
91.05493	2.5
93.07037	11.4
95.04971	3.4
95.08595	15.3
95.09145	1.2
96.08136	1.2
97.02902	3.5
97.06537	3.4
99.04474	2.5
105.07045	2.2
107.04951	15.2
107.08577	9.1
109.06483	1.1
109.10171	2.0
110.07156	1.8
110.09704	1.6
117.07040	3.4
119.08558	5.0
121.06455	4.4
121.10149	4.2
125.05997	2.4
131.08524	0.9
133.10086	1.2
135.08084	1.1
135.11681	25.3
136.07523	1.1
137.06013	2.0
138.09100	1.9
139.07515	1.0
145.10104	14.9
146.06010	1.6
146.09378	1.1
153.03909	0.9
160.11145	0.9
163.11160	32.8
163.12518	1.6
166.08675	2.1
181.12225	7.2
193.12326	0.9
215.07002	1.1
218.38095	0.9
227.10750	0.9
227.12761	45.0
251.08604	3.5
283.15366	100.0
445.21094	1.8
480.27014	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.2
55.01858	0.3
55.05504	0.5
65.03595	0.3
65.03934	4.2
67.05499	0.4
68.99770	0.2
69.03428	0.2
69.07066	0.2
70.90084	0.2
70.90443	0.4
71.01332	0.2
79.05483	0.5
81.07036	0.4
91.05474	0.4
93.03371	0.2
93.07018	0.4
94.06541	0.4
95.04964	0.3
95.08582	0.2
105.07043	0.3
107.04947	10.7
107.08598	0.2
108.08101	0.3
109.02881	0.2
111.04438	3.7
112.07551	0.2
121.02859	100.0
122.03189	0.6
124.07571	1.7
138.09108	0.2
164.07068	1.3
165.05482	0.2
199.06255	0.3
212.10745	0.8
218.15387	0.6
226.08812	0.3
236.16438	5.6
240.10217	0.3
243.08969	0.4
254.17497	7.6
307.40820	0.2
318.11136	0.3
332.12848	0.6
342.20724	0.3
344.01184	0.2
356.18451	1.9
360.21671	8.9
368.18546	0.5
374.19595	11.6
375.19641	0.2
386.19595	2.0
462.22678	4.3
462.29251	0.3
480.23605	2.9
480.29587	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.01864	2.2
55.05523	1.2
56.05030	3.5
57.03453	1.1
60.04529	1.1
61.01160	1.2
61.02927	1.4
67.05497	1.6
69.03421	3.3
70.02966	0.9
70.06197	1.5
70.06589	25.1
70.09710	4.3
71.06907	1.1
72.08149	4.7
73.02932	1.1
79.05493	1.6
81.03429	2.3
81.07080	1.6
84.04525	3.6
84.08138	8.3
85.02897	13.6
86.09705	15.8
87.04451	1.1
88.03985	1.7
91.05467	6.2
93.07043	3.8
95.04971	1.8
96.00059	0.9
97.02907	4.9
99.04469	1.4
103.05480	1.6
104.05305	1.8
104.10755	1.1
105.07034	3.4
107.04957	36.5
109.02901	1.6
109.10169	2.0
110.07164	2.6
112.08730	0.9
114.11964	0.9
115.08694	1.9
117.07011	1.0
119.04938	6.6
120.08119	6.7
121.02862	1.9
121.06503	22.2
127.03944	2.3
129.10207	4.9
130.10518	0.9
131.04912	7.0
131.08568	8.4
133.06505	6.9
133.10179	2.2
136.07549	1.4
141.06967	1.5
145.04994	2.6
145.06474	2.9
147.08054	3.4
159.08047	19.4
159.09250	1.9
169.06546	1.1
179.08551	3.0
181.06403	1.0
183.08041	2.1
183.15027	2.2
184.07370	2.8
192.19667	1.0
207.08044	13.8
211.07568	1.3
212.08295	2.0
224.08342	1.3
225.09102	58.0
227.10684	12.5
235.11131	1.7
237.02771	1.8
239.10754	5.7
247.76796	1.0
253.12230	38.7
254.12668	1.4
271.13293	100.0
272.13605	1.7
283.13226	1.9
295.13159	1.2
313.14328	1.1
453.10657	1.8
466.93774	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01865	6.8
55.05503	1.5
56.05035	1.8
60.04507	1.4
65.03931	3.0
70.02948	1.4
70.06595	19.8
72.08158	7.4
74.56509	1.6
79.05476	7.0
81.07053	2.6
84.04495	3.1
84.08146	9.1
85.02896	4.1
86.09696	10.1
91.05479	59.4
93.07029	3.4
94.04208	2.7
95.04952	5.8
95.06091	1.8
97.02892	2.4
98.97567	1.5
103.05456	7.9
105.03390	13.3
105.07037	12.9
107.04963	21.5
109.06493	13.2
110.07143	4.7
112.08726	2.2
115.05457	3.7
117.06969	1.8
118.04141	2.9
119.04938	85.8
120.05748	1.6
120.08094	5.9
121.02869	1.4
121.06489	7.6
122.03640	4.4
123.08045	4.5
129.07021	2.0
129.10258	4.3
130.04160	1.6
130.98123	1.4
131.04927	6.7
133.02823	2.2
133.06473	12.0
135.04424	2.5
135.07919	1.6
136.05203	2.6
136.07689	1.6
137.05971	100.0
145.06470	4.1
146.97113	1.5
147.04407	32.1
147.08034	1.7
149.05975	7.5
151.03970	1.5
151.07542	44.8
159.08017	4.5
161.05989	35.2
161.07117	1.0
162.06763	15.8
163.07545	3.7
165.05476	3.9
172.05142	1.8
175.07550	23.8
177.09187	2.8
178.00903	1.6
179.07028	41.7
182.27560	1.5
185.12912	1.4
187.07509	13.8
191.08424	1.8
193.03163	10.1
193.08603	10.6
205.08577	19.4
217.08604	2.0
219.08069	2.9
231.08022	1.7
235.09633	4.9
251.10748	2.4
279.10199	4.7
291.10196	5.0
293.41089	1.4
299.10321	2.9
300.10464	5.2
309.11194	19.5
311.12796	7.6
318.12277	1.7
323.12708	3.4
329.13718	4.4
341.13730	7.3
405.85864	1.4
426.21918	1.4
480.16583	4.7
480.23306	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	480.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
55.01862	4.9
55.05519	1.4
56.05033	1.6
63.85174	1.1
65.03931	3.4
69.03413	1.8
69.07073	1.8
70.06583	14.8
71.00024	2.4
72.08148	4.3
79.05482	6.5
81.03425	1.5
81.07061	2.1
83.06133	1.4
83.98406	1.2
84.04506	2.0
84.08123	4.5
85.02907	3.5
86.06074	1.4
86.09700	10.2
90.23045	1.1
91.05475	63.0
93.07040	3.6
94.04193	2.7
95.04968	4.0
97.02905	2.5
98.42786	1.3
103.05450	10.1
105.03382	15.7
105.07033	14.0
107.04951	19.5
108.05795	2.0
109.06508	13.3
109.94759	1.2
110.07168	2.8
111.04469	1.2
115.05435	3.4
117.87939	1.3
118.04145	2.0
119.04934	86.2
119.08548	1.9
120.08115	2.6
121.06477	10.7
122.03642	3.7
122.07281	1.5
123.08070	7.6
129.10231	4.5
130.04155	3.2
131.04877	7.7
132.05661	1.4
133.02853	1.6
133.06491	13.5
135.04411	2.2
135.08052	3.3
136.07623	1.3
137.05966	100.0
138.09120	1.5
145.06468	4.8
147.04401	35.0
147.05498	2.5
147.08008	2.7
149.05989	8.7
150.06744	4.1
151.07532	47.9
159.08029	9.0
161.05968	35.7
161.07242	2.4
162.06764	14.5
163.07559	3.1
165.05489	5.1
171.08008	1.3
173.05876	1.6
175.07523	27.2
177.09189	1.9
178.00945	1.6
179.07024	43.3
187.07521	14.2
189.09103	6.9
190.06218	1.9
191.08542	2.4
193.03163	11.4
193.08595	8.0
199.07303	1.1
205.08559	25.2
213.12531	1.2
215.52019	1.2
217.08623	3.6
219.08095	3.6
226.54395	1.2
231.08038	2.5
235.09645	3.9
244.09360	1.4
245.09784	2.7
247.07468	2.4
248.08392	1.7
251.10651	5.4
259.07672	1.9
279.10126	5.5
280.11057	1.3
291.10153	3.9
296.10236	2.0
309.11194	22.3
311.12738	7.6
318.06903	1.6
323.12772	3.1
329.13873	3.4
341.13779	5.9
424.19812	1.2
453.10745	2.3
479.32068	1.9
480.32645	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	479.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.8
55.01863	13.5
55.05511	52.7
57.03436	24.9
59.04979	6.4
64.45631	5.5
65.03919	6.0
65.93694	4.7
67.05177	7.7
67.05502	100.0
69.03405	6.0
69.07069	36.0
69.45282	14.0
69.45703	34.8
70.06592	12.3
71.05000	10.0
72.67766	5.0
79.05493	71.0
81.03371	6.6
81.07054	94.9
83.04961	9.6
83.08618	32.6
85.02915	7.0
85.06563	8.2
85.85375	4.8
86.09708	12.7
90.26948	4.7
91.05479	99.8
93.07043	67.1
95.04969	24.9
95.08614	47.6
97.06519	12.7
97.10150	18.0
99.39510	5.5
103.05463	8.1
104.10711	10.3
105.07024	75.7
107.04961	29.0
107.08599	34.5
109.06519	13.8
109.10149	31.6
111.08073	12.0
112.11173	6.0
115.05430	13.8
117.07015	67.2
119.08598	47.4
121.06520	10.9
121.10121	15.4
123.08043	11.7
125.09628	11.8
127.07533	5.4
128.06201	13.2
129.06993	66.3
131.08556	81.6
133.06482	14.9
133.10112	28.0
135.08058	11.3
135.11668	8.4
139.11116	5.7
141.06992	23.2
142.07813	9.1
143.08540	48.1
145.06464	16.0
145.10120	33.9
147.08076	12.5
147.11707	11.2
149.09612	18.2
155.08545	41.8
157.06512	9.9
157.10135	33.2
159.08043	10.3
159.11694	23.3
161.09601	5.6
163.11136	6.1
167.08528	12.9
169.10130	24.8
171.08022	7.9
171.11670	20.0
173.09674	10.9
173.13261	6.2
181.10083	18.1
183.11659	18.3
184.07298	13.6
185.13196	13.5
189.11172	7.0
190.96304	6.2
193.10190	8.9
193.12317	5.1
194.90309	6.2
195.11673	20.1
197.13272	18.9
199.14764	8.3
207.11743	9.0
209.13251	16.6
211.14778	11.6
213.12758	8.1
213.16292	5.8
215.14268	7.3
217.15881	10.9
219.13826	5.3
221.13257	15.8
223.14810	17.2
225.12726	6.0
227.14374	6.2
229.14186	8.6
235.14928	10.2
235.53413	5.3
239.14313	15.5
249.16385	6.3
257.15359	9.3
267.12009	7.1
271.16849	11.2
275.16315	5.1
277.63132	9.4
278.13425	7.4
285.18494	7.0
303.05057	30.4
320.54141	5.5
323.23654	7.5
323.92508	5.1
333.22101	20.7
341.24661	17.0
351.23172	69.5
369.24210	73.2
387.25385	37.5
443.27869	25.2
461.28745	36.8
479.29477	21.9
479.35873	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	479.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.4
54.50118	4.8
55.01868	12.4
55.05510	47.9
57.03431	22.4
58.84603	5.1
65.03944	6.4
67.05165	9.4
67.05500	92.8
68.11040	6.3
69.03436	6.6
69.07066	31.2
70.06583	7.4
71.04979	11.0
71.11334	7.2
71.11663	6.3
73.02889	7.7
76.91734	4.8
78.76520	5.6
79.05499	83.9
81.03424	7.8
81.07062	78.1
83.04992	10.3
83.08607	34.6
85.02901	13.4
86.09700	10.0
91.05485	92.8
93.07048	62.1
95.04970	25.1
95.08604	49.7
97.06534	22.2
97.10174	16.0
103.05447	6.7
104.10754	6.4
105.07030	73.9
107.04987	31.8
107.08606	33.0
109.06541	9.0
109.10165	30.4
115.05465	12.7
116.06233	5.2
117.07019	63.7
119.08575	35.7
121.06506	17.6
121.10162	18.4
123.08110	9.0
123.11716	5.3
124.99925	5.7
125.09629	8.9
128.06239	18.1
129.07013	71.5
131.04958	6.5
131.08568	96.7
133.06503	11.8
133.10141	34.1
135.08061	13.5
135.11674	7.0
137.09631	10.0
141.06985	27.0
142.07773	10.8
143.08574	43.0
145.06493	15.3
145.10126	33.3
147.08116	10.5
147.11690	11.5
149.05956	6.9
149.09653	15.9
151.75311	5.2
155.08537	39.3
157.06525	10.2
157.10109	31.5
159.08031	10.8
159.11700	16.6
161.09650	5.6
161.13246	5.9
163.11119	7.8
165.07051	8.3
167.08575	17.9
169.10185	19.6
171.07979	7.8
171.11745	25.6
171.13066	5.9
179.08551	8.7
181.10085	26.2
183.11707	13.0
184.07370	11.1
185.13321	9.9
187.11151	5.2
189.11203	10.6
195.11713	18.0
197.13283	14.8
199.14850	5.4
201.12755	8.3
207.11699	8.8
209.13341	13.5
211.14946	8.6
213.12816	5.8
221.13258	16.1
223.14906	9.0
229.14250	8.7
233.15471	9.5
239.14310	9.0
253.15732	7.3
257.15338	6.6
267.12039	7.7
271.16907	10.2
277.63129	12.0
303.05011	100.0
304.05286	11.5
333.22092	18.7
341.24805	13.6
351.23206	59.8
369.24158	58.2
370.24399	6.2
387.25461	37.5
443.27820	17.3
461.28922	31.2
479.29916	23.3
479.36179	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	479.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	14.4
55.01876	18.5
55.05514	45.4
57.03439	45.3
57.07060	8.4
61.02938	3.2
65.03931	8.7
67.05505	100.0
68.99816	2.8
69.03082	4.7
69.03432	64.8
69.07062	30.6
70.18041	2.4
71.01355	8.2
71.04993	11.9
73.02908	8.5
74.78873	3.1
75.04465	4.0
79.05497	82.6
81.03424	48.9
81.07061	98.7
83.01367	3.2
83.05005	17.0
83.08638	14.7
85.02910	35.8
85.06507	3.7
86.09697	7.5
87.04468	7.7
91.05480	73.5
93.07047	82.1
95.04972	25.3
95.08607	71.9
97.02885	31.8
97.06523	9.9
97.10151	7.4
99.04458	22.9
100.31870	3.3
103.03936	14.5
103.05465	5.4
105.07027	73.2
107.04948	13.3
107.08609	48.1
108.03490	2.7
109.02880	31.6
109.06522	12.6
109.10170	31.5
111.04427	19.0
111.08080	5.0
115.03922	6.8
115.05453	4.7
117.05544	3.3
117.07005	40.2
118.35389	2.9
119.04935	4.5
119.08564	50.4
121.06485	8.2
121.10159	34.8
123.08071	10.6
123.11681	8.3
125.00029	4.3
125.09659	6.3
127.03914	35.7
128.06216	7.2
129.05499	14.5
129.06989	20.8
131.08582	53.5
133.06485	9.9
133.10129	38.7
135.08075	8.8
135.11703	29.4
137.09628	5.7
139.11243	4.2
141.07013	8.3
142.07768	5.7
143.08551	24.6
145.04929	9.9
145.06503	8.6
145.10118	40.1
147.08063	9.7
147.11705	29.9
149.05911	3.1
149.09644	5.5
149.13274	11.4
155.08589	10.8
157.06519	3.4
157.10104	22.8
159.08093	7.3
159.11684	28.8
161.06044	4.9
161.09637	11.1
161.13274	15.5
163.07649	3.5
163.11189	5.6
163.14885	3.7
167.08615	3.1
168.09335	3.6
169.10130	13.4
171.08022	6.3
171.11731	15.2
173.09668	5.8
173.13284	19.4
175.11182	7.3
175.14874	6.4
177.12746	4.6
181.10170	7.0
183.06516	10.2
183.08051	5.4
183.11693	7.0
184.07326	22.6
185.09619	7.5
185.13309	15.2
187.11208	6.1
187.14835	9.2
189.08922	3.3
189.12743	7.1
195.11737	5.5
197.13211	8.6
199.11179	5.1
199.14830	8.7
201.07565	8.9
201.12729	7.4
201.16312	5.2
209.13382	3.9
211.14928	4.3
215.14380	4.9
231.13661	3.4
255.21162	3.9
259.20599	10.3
261.22147	13.8
273.22119	9.8
285.22061	5.5
297.22256	3.5
301.21542	10.0
303.04907	6.8
303.23056	5.8
305.26288	3.1
309.22241	4.0
315.23276	10.4
317.24756	7.6
323.23743	4.3
327.23206	8.5
335.25687	5.7
341.24780	11.4
343.22409	3.5
345.24142	10.6
351.23218	9.9
369.24252	25.4
375.25446	5.1
377.26706	3.4
387.25342	18.5
389.26740	3.5
401.26938	4.0
405.26395	6.2
419.27805	3.9
431.28259	5.4
443.27975	23.1
449.28638	5.4
461.29114	42.7
479.30066	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.4
51.90818	0.3
53.03938	1.1
55.05497	0.5
59.88434	0.3
61.67709	0.2
65.41007	0.3
67.05485	0.4
69.07072	0.3
70.13005	0.4
70.13403	0.7
77.03939	0.6
79.05488	5.5
81.03442	0.4
81.07034	0.5
86.78323	0.3
87.04455	1.4
89.06026	15.6
91.05469	2.7
93.07048	5.0
95.04977	2.7
95.08604	0.4
103.05462	5.3
105.07025	100.0
106.07360	1.4
107.07078	0.4
107.08613	0.5
117.07028	0.6
119.04939	0.8
119.08585	1.1
121.06498	18.9
129.07025	0.7
130.08522	0.3
131.08578	0.5
133.08595	6.4
135.08093	0.6
139.07475	0.4
143.63101	0.3
147.08054	3.4
149.09639	0.8
165.09090	8.0
175.41353	0.3
177.11246	2.4
183.10194	1.3
209.11617	2.1
209.13345	1.2
225.12816	0.8
227.12703	0.7
269.15424	0.7
271.15387	27.1
272.15881	1.0
338.74332	0.3
365.48746	0.3
375.21680	0.9
411.99539	0.3
479.29886	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.2
51.02386	0.4
53.03941	1.1
55.01858	0.3
55.05512	0.2
57.02973	0.1
57.07068	0.3
58.16218	0.1
65.90142	0.1
67.05478	0.1
68.50358	0.2
69.07047	0.7
71.25246	0.3
77.03940	0.6
79.05488	5.0
81.03417	0.3
81.07049	0.2
85.36095	0.1
87.04472	0.8
89.06025	11.6
91.05473	2.5
93.07036	4.2
95.04359	0.2
95.04963	3.2
95.08607	0.2
103.05466	4.9
105.07023	100.0
106.07359	1.3
107.07063	0.6
107.08595	0.2
117.07012	0.1
119.04948	0.6
119.08553	0.6
121.06495	16.6
122.06829	0.3
129.07034	0.4
130.08620	0.4
131.08556	1.1
133.08595	5.5
134.95766	0.2
139.07549	0.2
147.08061	1.3
149.09537	0.3
163.07657	0.2
163.11165	0.2
165.06935	0.5
165.09106	7.9
166.07828	0.8
166.09044	0.2
169.10181	0.2
177.11209	2.0
181.10170	0.2
183.10155	1.3
191.10628	0.2
209.11700	2.3
209.13348	0.7
211.13287	0.2
214.65231	0.1
224.42389	0.1
225.12691	1.2
227.12799	0.7
231.03386	0.2
233.03137	0.3
251.14307	0.2
253.14226	0.2
269.15323	1.4
271.15381	23.1
272.15707	0.6
332.93945	0.2
343.86703	0.2
373.21500	0.1
375.21750	0.7
405.64655	0.2
423.98303	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	479.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
53.35290	0.3
57.07068	0.5
67.05482	0.9
67.63065	0.3
69.07050	0.8
77.03935	0.7
79.05481	5.0
81.03406	0.3
81.07053	0.7
87.03976	0.3
87.04421	1.4
89.06024	15.7
91.05473	3.5
93.07038	5.7
95.04968	4.1
95.80704	0.3
103.05457	5.3
105.07022	100.0
106.07369	1.2
107.04965	0.5
107.07078	0.9
117.07021	0.3
119.04927	0.9
119.08589	1.5
121.06494	19.2
123.37236	0.3
129.07005	0.8
131.08553	1.0
133.08592	6.4
135.08075	0.5
145.06450	0.3
147.08044	4.2
149.09639	0.8
154.86476	0.3
163.11191	0.4
163.65874	0.3
165.09106	9.0
165.10498	0.5
176.90976	0.3
177.11209	2.9
177.55087	0.3
183.10176	1.1
184.07501	0.3
191.10599	0.4
209.11717	2.8
209.13351	1.2
211.13358	0.4
223.11194	0.4
225.12752	1.2
227.12788	0.9
251.14427	0.6
253.14355	0.4
256.16757	0.3
266.27411	0.3
269.15271	0.7
271.15390	28.6
272.15848	0.8
312.36893	0.3
375.21805	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.0
55.05510	2.9
57.03422	0.9
57.07052	0.8
61.02913	0.9
65.03928	3.3
67.05505	5.4
69.03401	0.8
69.07049	2.2
70.06574	0.6
71.04990	0.6
71.33307	1.2
72.08128	0.8
79.05489	5.4
80.05008	0.7
81.03403	1.7
81.07063	6.1
82.06551	0.8
83.04961	1.0
83.08601	2.3
85.02888	1.7
86.09695	0.8
91.05471	5.2
92.05002	4.0
93.07037	6.2
94.06561	3.8
95.04978	3.5
95.07332	2.8
95.08587	2.1
96.08121	8.2
97.02863	0.7
97.06516	1.5
97.10160	1.4
103.05456	1.5
105.07013	2.9
107.04949	33.6
107.08573	2.0
107.53076	0.6
108.04536	0.6
108.05278	1.3
108.08114	9.7
109.06479	0.6
109.08913	0.7
109.10114	0.9
110.09675	15.7
111.08056	1.0
116.05270	0.8
117.07011	0.9
119.08571	2.3
120.04451	12.3
120.08099	11.4
121.02872	6.3
121.06498	1.4
121.10142	1.6
123.06808	0.6
123.11674	0.9
124.07587	0.6
125.09621	1.6
126.09136	1.1
127.03831	0.6
129.07004	0.8
131.08551	2.4
133.06488	0.6
133.10115	2.0
135.08081	1.0
135.11638	0.7
136.07565	14.2
137.05986	2.3
138.05482	6.2
138.09132	20.9
145.10104	1.0
147.11662	1.5
148.03920	0.6
148.07564	6.3
148.41208	0.5
149.13263	0.7
154.08618	19.3
155.08635	0.8
157.10139	0.8
159.11612	1.0
160.03952	0.7
164.31683	0.6
166.08632	39.4
170.33211	0.5
172.11574	0.9
175.10999	0.8
178.04984	1.3
182.09636	0.6
188.03407	35.9
188.62991	0.5
193.12206	1.4
198.11539	0.7
199.12308	1.1
199.14656	0.6
200.03333	0.8
205.04968	2.6
206.04469	46.1
208.06070	0.7
210.09174	0.6
210.14801	0.7
212.09546	0.8
218.04514	3.8
220.06082	1.5
226.08656	0.7
227.11728	3.8
232.05931	1.0
238.08621	0.6
245.12993	1.1
255.11299	5.2
260.12799	1.5
266.08005	3.4
273.12329	5.2
275.20029	0.6
294.07584	4.9
295.10712	2.5
297.89282	0.6
312.08505	0.7
317.06543	1.8
323.10260	3.6
326.10184	6.2
333.12875	0.9
341.11301	100.0
342.11703	1.7
359.12149	0.7
368.43442	0.6
369.23981	1.1
373.13766	1.1
386.23923	0.7
387.24655	1.9
405.25754	0.6
412.94769	0.6
429.14355	1.6
436.31903	0.7
447.15079	1.0
461.28043	2.5
479.30569	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	479.1181
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
50.00418	0.3
52.44070	0.4
53.03934	0.5
53.30039	0.4
54.56508	0.4
54.59100	0.4
55.01862	0.8
55.05499	0.5
56.05016	0.4
56.48006	0.4
56.96561	0.3
57.03422	1.1
60.35587	0.4
61.02930	2.1
67.05496	0.8
69.03133	0.3
69.03429	4.0
69.07037	0.7
70.06591	2.9
70.24491	1.2
70.24901	0.6
71.04977	0.8
72.08138	0.9
73.02888	0.9
75.53395	0.3
76.02242	0.6
81.03421	3.1
81.07034	0.5
83.05007	0.4
83.06095	0.4
83.23437	0.3
84.04498	1.2
84.08130	1.2
85.02899	12.0
86.09703	2.2
87.04445	0.7
91.03959	0.9
91.05460	1.1
92.02597	1.2
93.03389	1.4
95.04967	0.7
95.06046	0.5
97.02881	4.2
97.18153	0.4
99.04446	0.8
105.07012	0.8
107.04956	6.4
108.05279	1.0
109.02875	1.0
120.08108	0.9
121.02868	1.6
124.03936	1.1
126.03115	0.4
127.03876	2.0
129.10236	0.5
130.04999	0.4
131.04933	0.6
136.07631	0.4
137.05946	0.5
139.03842	0.9
145.04936	1.6
151.03902	1.3
151.05194	0.3
151.63081	0.3
153.01817	7.9
154.12231	0.4
163.03906	0.6
165.01814	0.7
166.08586	0.5
177.05475	0.5
193.12166	0.4
201.05435	1.2
201.12296	0.5
203.03354	0.6
215.07053	0.4
217.04984	1.3
228.04112	1.6
229.04947	3.6
231.02904	0.7
232.03503	0.5
245.04424	1.4
246.05246	1.7
257.04453	2.7
267.15726	0.4
273.03900	2.0
274.04706	4.4
284.03082	0.5
285.03909	3.9
288.06140	0.5
302.04199	13.0
306.25549	0.4
307.25644	0.5
317.06537	100.0
318.06839	1.0
345.52960	0.4
479.17853	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1181
Annotation	6-Methoxykaempferol 3-galactoside
Peak:m/z	Relative Intensity
53.03930	1.0
55.01857	0.7
57.03418	0.8
58.08296	0.3
58.37507	0.3
61.02906	1.6
68.09725	0.3
68.69484	0.3
69.03432	3.7
70.06590	1.7
70.09946	1.7
71.04989	0.5
72.08138	0.4
73.02930	0.3
80.18204	0.3
81.03419	2.6
83.96170	0.3
84.08118	0.9
84.12931	0.3
85.02420	0.5
85.02900	7.7
86.09693	1.1
86.61826	0.3
91.03944	0.4
91.05484	0.4
93.03388	0.4
95.04937	0.8
97.02890	3.1
97.27351	0.3
99.04442	0.4
107.04948	2.4
109.02878	1.4
110.07168	0.5
120.08073	0.7
121.02850	1.0
123.04441	1.8
124.01532	0.7
125.02347	0.7
127.03943	2.2
129.10219	0.6
137.02325	3.1
145.04947	1.1
149.02313	0.5
151.03894	1.3
152.57877	0.3
163.03923	0.7
167.03369	3.9
179.03407	1.3
187.07516	0.3
187.80742	0.3
197.04398	0.9
200.04674	0.4
203.90742	0.3
215.07071	1.6
228.04106	0.5
243.06491	3.4
257.04340	0.4
261.04199	0.8
261.07309	0.5
271.05988	1.9
274.04672	4.0
288.06412	0.6
299.05490	0.9
302.04105	2.5
317.06540	100.0
318.06912	1.8
418.02106	0.4
459.90268	0.4
479.24466	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1186
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
50.53958	0.1
53.03931	0.5
55.01857	0.4
55.05482	0.2
57.03430	0.8
61.02930	1.3
65.03916	0.3
67.05499	0.2
69.03072	0.2
69.03426	3.1
69.80289	0.8
71.04971	0.4
73.02904	0.4
79.05497	0.1
81.03416	1.3
83.01327	0.2
85.02899	7.4
86.15255	0.1
87.04437	0.4
90.79942	0.1
91.03948	0.6
91.05470	0.2
93.03397	0.4
93.07059	0.2
95.04968	0.6
97.02274	0.2
97.02888	2.8
99.04437	0.5
105.06963	0.2
106.41405	0.1
107.04947	0.8
108.05247	0.1
109.02869	1.0
111.04425	0.2
121.02854	1.9
123.00851	0.2
123.04418	1.5
124.01523	0.4
125.02346	0.7
127.03910	1.5
134.03604	0.2
137.02345	2.4
139.03857	0.1
141.05443	0.3
145.04959	1.1
149.02328	0.3
151.03896	1.0
155.04951	0.2
163.03909	0.4
167.03391	3.5
168.43636	0.1
179.03354	1.7
180.04155	0.2
183.04338	0.3
184.05060	0.1
187.07565	0.2
191.03522	0.1
193.04874	0.2
197.04391	0.7
200.04659	0.4
202.07974	0.1
209.04408	0.3
211.03757	0.2
215.07053	1.5
228.04198	0.5
233.08113	0.2
242.05838	0.2
243.04031	0.2
243.06532	3.9
256.03635	0.3
257.04398	0.4
261.07532	0.7
271.05966	2.0
273.03848	0.4
274.04733	3.4
288.06192	0.6
289.07068	0.2
299.05396	0.7
302.04239	2.3
317.06537	100.0
318.06870	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18351	5.8
67.63712	7.1
69.31875	5.7
70.79957	17.5
73.03653	6.0
78.69973	6.5
94.93001	22.1
99.09132	6.3
112.89606	15.5
114.89318	26.9
129.35419	7.0
132.02090	7.2
136.85817	6.0
136.94012	100.0
139.91539	9.6
143.21449	6.6
147.66821	6.7
148.94009	25.0
149.32378	5.7
151.92490	5.6
164.93510	22.7
166.95062	16.0
176.01118	12.0
196.95279	22.2
208.97246	8.3
213.01025	6.5
214.89418	7.3
248.89784	8.4
256.90408	10.9
256.98203	18.4
310.27136	7.7
381.07895	66.2
382.51663	7.0
403.08981	7.2
419.03461	59.8
434.75595	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	479.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73274	1.2
53.03950	10.5
55.01858	5.2
55.05491	2.3
57.03436	7.0
58.66226	1.3
61.02908	5.5
65.02690	1.2
65.03937	1.7
67.05489	4.4
68.99770	4.8
69.03424	46.7
70.06573	8.7
71.01333	2.4
71.04990	9.0
72.08149	2.6
72.93776	1.7
73.02896	3.4
78.88498	1.7
79.05488	1.7
81.03414	55.6
83.01319	1.9
83.04969	9.3
84.04492	2.4
84.08121	4.0
85.02901	62.3
86.09698	7.0
87.00819	18.5
91.05453	5.4
95.04941	4.9
97.02891	22.0
97.06508	1.3
98.21530	2.6
99.04443	16.3
101.02370	1.4
103.03932	3.5
105.01839	6.5
105.07006	1.7
107.04945	21.7
109.02874	43.2
110.07144	1.5
111.04416	6.8
115.03849	1.2
119.04920	1.2
120.08064	2.1
121.02803	2.0
122.09612	1.2
123.04423	4.8
125.02330	2.9
127.03909	100.0
129.01801	3.6
129.10225	2.8
133.51067	1.3
135.71806	1.3
136.07652	1.9
137.02303	1.4
137.05937	1.7
139.03932	1.7
141.05424	1.8
145.04947	4.6
147.02882	2.2
147.04370	2.0
147.06415	1.3
151.03848	3.9
153.01826	1.5
155.03426	1.4
169.04997	6.0
171.02863	3.9
179.03368	1.8
187.00548	2.6
187.05991	4.5
189.03896	9.3
189.05327	1.4
193.05009	2.3
213.03944	12.3
217.04953	1.6
225.02153	1.8
229.07068	1.3
231.04922	10.1
233.06439	2.0
235.06068	2.6
243.03119	1.6
251.07001	1.5
253.06972	2.6
255.04973	3.3
261.04211	21.7
273.06018	7.2
279.05170	3.2
299.05640	2.5
302.04086	1.8
317.06613	29.6
339.07126	2.8
372.68103	1.4
392.36011	1.1
395.11099	2.1
418.17883	1.4
443.07999	2.8
461.09518	13.9
461.15942	2.2
479.12378	5.6
479.24200	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	479.118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.4
55.01862	0.5
57.03434	0.9
59.04971	0.1
61.02647	0.1
61.02924	1.3
64.61464	0.1
65.03915	0.2
67.01860	0.2
67.05495	0.1
68.99784	0.1
69.03428	3.2
70.06570	0.1
71.04983	0.4
71.58858	0.1
71.59206	0.1
72.08105	0.1
73.02918	0.4
79.05481	0.1
81.02969	0.1
81.03413	1.6
83.01324	0.2
85.02901	8.9
87.04468	0.4
91.03927	0.5
91.05473	0.2
93.03405	0.4
95.04964	0.7
97.02273	0.2
97.02888	2.8
99.04465	0.5
105.07061	0.1
107.04930	0.1
109.02210	0.1
109.02879	1.1
111.04412	0.1
121.02870	0.9
123.00814	0.1
123.04414	1.7
124.01535	0.6
125.02338	0.6
127.03910	1.4
134.03667	0.1
135.04393	0.2
137.02330	2.5
137.03375	0.2
139.03822	0.1
141.05457	0.2
144.05640	0.1
145.02829	0.2
145.04955	1.1
149.01201	0.1
149.02336	0.4
150.03116	0.2
151.03894	1.0
155.04933	0.2
159.08005	0.2
161.63451	0.1
163.03873	0.5
167.03394	4.2
169.06450	0.1
179.03386	1.8
180.04196	0.3
183.04385	0.3
184.05171	0.2
186.03061	0.1
187.03908	0.1
187.07538	0.4
191.03381	0.1
193.04953	0.2
197.04453	0.8
197.06050	0.1
200.04622	0.5
201.05614	0.1
205.08640	0.1
207.02898	0.2
208.03654	0.1
209.04440	0.3
211.03976	0.1
213.05466	0.1
215.07037	1.6
219.02879	0.2
225.05495	0.1
227.07089	0.1
228.04245	0.5
233.08107	0.2
239.03346	0.1
242.05751	0.2
243.06520	4.1
244.06955	0.1
245.04405	0.1
253.05127	0.1
256.03717	0.4
257.04312	0.4
261.07516	0.6
271.05997	2.1
273.03799	0.4
274.04715	3.9
275.05130	0.1
284.02988	0.1
288.06250	0.8
289.07007	0.2
299.05472	0.9
300.06036	0.1
302.00729	0.1
302.04181	2.7
317.06531	100.0
318.06937	1.1
325.98987	0.1
329.06479	0.1
359.07623	0.2
479.11487	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	478.2927
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03945	2.0
55.05521	12.2
57.03439	6.1
57.07084	6.2
62.05776	2.3
62.06086	34.4
67.05160	2.4
67.05502	28.9
69.07066	18.5
70.01749	4.9
70.04082	1.6
70.06584	3.9
71.08631	2.3
73.02901	3.6
73.06557	1.6
79.05482	7.7
81.07059	29.7
83.08625	8.5
84.08138	1.8
85.02942	1.4
89.06020	13.6
91.05486	6.5
93.07042	11.8
95.04941	1.8
95.08600	20.8
97.02950	1.8
97.06544	2.1
97.10181	2.4
98.98460	7.9
105.07037	5.2
107.04958	1.8
107.08591	6.6
109.10136	6.7
119.08590	1.9
121.10135	4.0
123.11700	4.6
124.01601	2.5
131.08551	1.6
133.08618	3.4
133.10141	3.9
135.11710	3.5
147.11644	3.0
149.09662	1.5
149.13277	1.7
155.01042	4.3
173.01941	1.9
176.73616	1.3
177.16339	1.8
198.05211	1.8
210.99243	1.5
216.06328	4.4
236.17603	1.9
245.22563	1.5
263.23694	5.1
263.26385	1.3
284.26038	1.5
290.58102	1.2
306.27872	9.2
313.75565	1.2
325.94699	1.4
337.27338	100.0
338.27893	2.2
460.28220	4.1
478.28735	3.1
479.29944	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.9
62.06087	1.1
63.00124	0.7
67.05503	5.8
69.07063	4.4
71.04308	1.9
72.04487	0.7
79.05480	1.7
81.07046	5.9
83.08611	1.7
85.05269	1.3
93.07053	1.5
95.08617	4.3
98.06056	11.7
98.98464	3.5
107.08554	0.8
109.10172	1.0
112.07607	0.7
122.46531	0.6
140.10660	0.7
168.13905	0.8
202.23517	0.7
221.12375	0.6
236.20038	0.9
306.27902	100.0
307.28268	4.4
324.29330	0.8
477.23734	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2925
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.75323	1.1
55.05305	1.0
55.05513	12.1
57.03236	0.8
57.03437	8.5
57.07066	2.3
65.03945	1.1
67.05177	1.7
67.05505	25.0
69.07066	17.9
70.85424	3.0
79.05495	6.7
81.07056	29.6
83.04966	1.3
83.08625	7.5
91.05475	3.5
93.07043	9.0
95.08047	2.0
95.08603	20.8
97.06506	1.8
97.10161	3.4
98.98431	1.5
104.84361	1.2
105.07010	4.2
107.08571	3.9
109.10162	7.1
119.08610	2.3
121.10144	5.1
123.11728	2.1
123.27424	1.4
125.09645	1.5
133.10068	2.4
135.11671	1.6
145.60167	1.3
147.11662	2.2
155.98801	1.1
163.14706	1.3
185.94208	1.1
247.99341	1.1
306.27774	2.2
337.27350	100.0
409.52692	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47598	1.8
53.03922	2.8
55.01868	7.6
55.05502	7.3
56.05030	2.6
57.03440	16.4
58.79945	1.8
59.04983	2.9
60.08175	3.9
61.02922	10.9
62.54637	2.0
67.05492	7.9
69.03426	32.5
69.07073	4.3
70.06598	19.0
70.37245	8.1
71.01350	3.4
72.08148	7.7
73.02505	3.5
73.02917	69.0
79.05491	8.3
81.03406	5.0
81.07053	9.0
84.04498	4.2
84.08160	10.5
85.02907	61.6
86.09711	25.3
86.83215	2.1
87.04456	3.5
91.03926	2.3
91.05482	5.3
93.07053	10.9
95.05024	4.1
95.08595	7.0
97.02888	51.0
98.20904	2.7
98.98505	2.2
99.04454	2.9
102.05566	2.3
103.03957	2.9
104.10728	12.3
105.07020	5.2
107.04952	16.3
107.08575	2.1
108.05294	2.0
109.02878	4.5
110.07153	5.0
111.04434	8.1
115.03932	29.1
116.17601	2.3
119.08559	2.6
120.08095	5.8
121.10159	10.4
127.03928	22.2
129.10245	5.2
131.08548	3.4
132.06555	2.3
133.04971	27.8
133.06508	4.6
138.52936	2.2
145.04955	27.7
149.09604	22.2
150.07533	2.4
153.08975	2.0
163.06027	7.6
167.10674	100.0
184.07378	14.5
194.30252	2.3
195.97702	2.2
223.05969	3.8
240.09889	3.8
241.07002	5.0
246.60400	3.6
259.08157	6.3
263.12778	5.5
281.13840	5.0
303.04971	8.4
314.36844	2.1
337.23950	4.6
419.16891	4.2
495.68219	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.9
61.06338	2.3
67.05492	8.6
67.46651	2.2
69.07065	6.6
71.04124	5.7
79.05490	6.1
81.07056	7.0
83.08622	2.8
85.05304	3.0
91.05469	3.7
93.07070	2.8
95.08593	5.4
98.06058	13.9
98.98464	4.7
109.10172	3.9
126.50156	2.3
199.16840	3.9
212.88666	2.3
292.74316	2.6
293.64096	2.9
303.04993	2.9
306.27908	100.0
307.28329	3.1
335.25803	4.3
337.27191	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	478.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.3
55.05505	4.2
56.05025	5.8
56.52578	1.4
56.84431	1.3
57.05795	1.5
60.04511	5.0
67.05482	1.8
68.05017	2.2
69.03416	2.1
69.07047	2.1
70.02940	1.9
70.06591	69.5
70.08427	4.2
70.47453	1.3
71.06914	4.7
72.08151	26.5
74.06070	3.6
79.05466	1.5
80.28302	1.2
83.06078	2.7
84.04504	12.4
84.08141	30.1
85.02886	4.5
86.06065	2.4
86.09220	2.3
86.09705	36.1
87.05596	2.6
88.03970	4.0
89.06043	2.2
91.05470	1.8
92.59478	1.4
95.06056	1.6
96.04443	1.6
98.06022	1.9
98.98403	1.3
102.05528	4.2
103.05494	7.4
105.07014	2.5
107.04945	12.9
108.05293	3.1
110.07125	10.0
112.08714	2.3
115.08669	1.9
116.07020	1.5
120.08099	15.5
121.02853	8.6
122.03211	4.6
123.04404	1.8
125.00002	3.2
127.08694	2.1
129.10251	13.2
130.04982	3.9
130.06540	1.4
130.10593	1.4
131.04951	9.6
132.10234	1.5
136.07579	3.1
139.08592	1.7
141.10262	2.3
143.11823	1.6
146.98022	1.6
147.13161	1.3
155.08115	1.8
159.07959	4.0
160.08418	3.1
162.02214	1.8
179.08575	1.7
181.06386	1.7
182.06096	1.4
183.14903	2.0
184.07355	11.8
189.07101	2.1
191.08560	3.3
192.09186	1.4
194.07263	1.8
201.12334	2.1
202.07803	12.6
205.10146	2.6
207.08109	5.4
210.06715	3.2
215.08580	3.7
216.09398	1.5
217.10043	8.6
218.07196	1.5
219.08038	9.0
220.08778	8.8
221.09468	1.9
223.07521	1.8
230.07294	2.0
231.07959	2.6
233.09647	2.7
234.06697	3.9
235.07536	100.0
235.11006	7.8
236.08188	3.6
237.09093	8.4
238.09456	2.1
244.08817	3.0
245.09637	20.7
247.07513	2.8
248.08391	7.4
249.08981	3.3
251.10724	8.6
253.08722	8.3
263.10672	53.9
268.10449	1.8
272.37082	1.4
281.08871	2.0
281.11734	25.6
282.12204	3.3
295.15421	1.8
303.05042	2.0
352.39273	1.3
419.14536	2.7
478.22287	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	478.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18861	8.1
69.03432	16.7
69.52174	49.6
69.52579	13.3
70.06593	10.8
84.08130	9.8
85.02895	8.9
86.09707	10.2
91.05494	24.5
95.04912	15.1
97.02892	13.3
98.21458	19.7
106.29978	8.7
107.53706	8.7
119.04942	36.6
123.04433	41.5
127.03873	16.3
136.07585	100.0
147.04451	12.6
161.02812	7.6
165.05498	57.0
182.08131	89.3
329.79391	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	478.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71452	5.5
55.05524	9.0
56.96547	6.5
57.03426	5.6
57.23668	6.4
58.94815	4.9
66.59225	5.0
67.05497	11.7
69.03421	10.0
69.07076	7.7
70.06600	100.0
70.09702	29.0
71.06975	6.3
72.08160	45.8
73.17599	5.0
74.06059	6.5
76.02235	8.0
79.05496	10.0
80.04979	12.1
81.03416	6.4
81.07051	12.0
83.08632	6.7
83.65529	5.8
84.04516	20.3
84.08147	64.5
85.02899	22.0
86.00631	15.5
86.09714	75.1
88.03996	8.0
88.81705	5.5
91.05494	7.1
93.07042	11.5
94.06557	5.7
95.04939	8.5
97.02883	11.0
102.05578	6.4
104.10728	10.7
105.07045	10.2
107.04959	83.7
107.08562	6.0
108.05293	10.3
110.07198	13.8
112.08738	8.0
112.10197	4.9
116.07064	6.1
120.08102	39.6
121.02870	5.6
122.09630	6.3
125.00035	11.4
129.10249	23.3
130.04939	7.0
131.04958	12.7
131.08505	5.8
132.01143	9.6
132.07999	5.8
133.06424	8.5
134.09676	11.6
136.06190	5.7
145.06462	15.6
153.12788	6.4
157.06473	11.1
184.07343	34.0
224.82664	6.7
246.18451	15.1
251.10698	6.2
303.05020	47.6
317.06665	10.2
390.19534	27.8
417.21423	8.5
435.22424	20.5
478.26788	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	478.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.5
55.01867	2.7
58.06579	4.2
60.04517	11.6
60.17957	1.8
61.02928	2.3
67.05489	4.9
67.10806	2.0
69.03419	8.1
69.55454	15.2
70.06580	6.9
71.04980	4.8
75.05586	3.6
76.03996	19.3
76.07638	11.4
77.03893	1.8
79.05482	5.5
80.05009	1.9
81.03409	5.0
81.07018	2.8
84.04503	2.4
84.08189	2.3
85.02898	14.3
91.05489	9.3
93.07023	2.5
94.06526	4.8
95.04977	11.7
96.04477	2.3
97.02884	8.4
98.06013	2.0
106.06535	3.0
107.04949	100.0
108.05311	2.1
108.08116	6.2
109.02901	4.6
109.06511	4.0
110.06065	5.4
111.04458	2.7
112.07607	2.4
118.06554	3.0
119.04929	15.8
120.05252	2.7
120.08046	2.9
122.05997	7.4
123.04424	39.3
125.05999	6.3
125.22827	2.0
127.03927	3.3
127.46089	2.2
129.29910	1.8
133.05296	2.2
134.05980	6.8
135.04451	2.2
136.07564	20.0
137.05972	10.9
138.05452	2.2
139.03915	9.0
145.04955	3.2
146.06006	29.5
147.04449	14.0
147.06323	16.9
148.07562	7.6
152.07071	3.4
154.08614	2.9
164.07051	47.7
164.10529	2.5
165.05449	12.5
166.08629	4.5
182.08125	35.7
204.08562	4.0
234.03986	2.0
280.11777	3.5
298.12799	9.9
316.13882	27.0
326.12289	4.5
344.13495	2.4
378.74533	2.1
460.18265	3.8
478.19312	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	478.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75157	2.5
53.03939	3.0
56.05008	2.4
59.03727	3.8
60.04517	9.3
61.02917	3.7
65.03936	2.9
66.27783	2.3
69.03416	3.8
69.60075	21.2
70.06597	14.5
75.05581	3.0
76.04000	31.5
76.07623	13.6
79.05494	3.9
79.93683	2.3
81.03418	3.5
82.86352	2.3
84.04504	6.3
84.08137	4.4
85.02901	11.0
86.06082	3.8
86.09719	2.5
91.05487	6.9
94.06536	4.4
94.97490	2.3
95.04969	9.2
97.02876	6.0
98.06022	2.6
98.20713	3.6
101.47858	2.8
107.04947	100.0
108.05254	3.2
108.08154	3.4
109.06524	2.6
114.05624	2.4
118.06525	4.1
119.04905	7.4
122.05997	5.0
123.04427	28.9
125.05985	5.1
136.07550	11.6
137.05939	4.6
139.03888	9.3
146.05997	31.1
147.04390	9.2
147.06349	19.7
148.07593	5.6
164.07063	33.0
165.05443	7.0
166.08711	3.2
182.08139	18.8
204.08598	3.9
259.39194	2.9
289.68164	2.6
298.12894	6.0
316.13858	9.7
378.74936	3.1
478.19199	7.3
478.26123	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	478.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19582	0.1
51.02357	0.1
53.03933	0.3
55.01860	0.2
55.05503	0.4
57.03405	0.1
62.96396	0.1
66.32233	0.1
67.05502	0.2
68.37033	0.1
69.03417	0.3
69.07067	0.2
69.78405	0.5
70.06570	0.2
72.08123	0.1
77.03918	0.1
79.05484	1.9
81.03426	0.5
81.07046	0.2
83.08668	0.2
84.08144	0.1
85.02892	0.6
86.09695	0.1
87.00814	0.3
87.04453	0.1
91.05471	0.5
93.07034	0.3
95.04956	0.7
95.08580	0.1
96.04482	0.2
96.08911	0.1
97.02870	0.2
97.10149	0.1
105.01860	0.2
105.07016	0.1
106.06548	100.0
107.04945	9.9
107.06863	0.7
107.08543	0.1
108.05275	0.1
108.08094	0.3
109.02873	0.2
109.06540	0.1
117.07005	0.1
118.06537	1.7
118.07349	0.2
120.08141	0.2
121.06522	0.1
124.07555	0.5
127.03900	0.2
130.06534	0.2
135.11690	0.3
138.09079	0.1
148.07591	0.2
195.13815	0.3
212.10690	2.3
231.04945	0.1
265.09933	0.1
336.10889	0.2
354.11884	0.3
368.23059	0.1
372.12888	1.9
385.23517	0.1
386.23944	0.3
460.27509	0.3
478.28198	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1707
Annotation	CB3717
Peak:m/z	Relative Intensity
56.08164	2.4
61.02918	2.9
67.05508	2.3
69.03421	3.9
69.61643	10.0
69.62059	5.9
70.06590	36.8
71.06895	2.5
71.31685	2.0
72.08143	3.8
75.23298	1.8
79.05483	3.4
81.03408	8.4
84.04503	4.7
84.08147	7.0
85.02898	9.4
86.06078	2.5
86.09725	5.5
87.04476	2.5
91.05479	23.2
92.05885	2.2
93.07021	3.8
97.02874	16.2
97.61514	2.3
98.20767	4.4
98.97578	2.5
101.27854	2.4
103.05471	11.4
107.04957	42.5
108.05247	2.4
109.02867	4.1
110.07156	3.8
116.07063	3.0
116.98611	2.6
118.04153	7.8
118.06551	3.7
119.04915	6.5
120.08103	13.6
120.08804	2.3
121.06494	9.7
126.32124	2.7
127.03925	6.4
128.98563	2.3
129.10252	4.0
130.04956	2.7
131.04884	6.2
133.06372	2.6
134.99625	2.3
136.07558	6.0
137.06003	4.7
140.66629	2.1
146.06000	29.5
147.04404	21.4
148.07544	3.5
163.03804	3.7
164.07063	47.5
164.59755	2.0
175.11934	3.5
182.15608	1.9
192.06543	63.2
210.07603	100.0
219.01688	4.0
234.98862	3.5
237.02896	4.2
316.05344	3.3
318.09818	6.0
336.10748	22.2
354.11719	13.9
365.05331	3.1
372.16208	4.5
383.06430	2.5
400.37982	2.4
478.26529	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	477.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	69.5
67.05511	50.8
69.07069	50.5
71.08643	23.6
79.05507	68.7
81.07040	70.6
83.04958	17.4
83.08638	92.7
91.05491	58.7
93.07037	87.3
95.08613	100.0
97.10174	39.5
105.07053	68.5
107.04949	23.4
107.08579	98.4
109.10167	44.8
117.07041	42.7
118.11775	17.8
119.08556	29.4
121.10075	24.2
123.11647	23.2
131.08566	52.2
133.10138	26.2
135.11691	24.2
145.10120	37.0
147.11714	30.3
159.11707	91.1
177.12755	58.6
195.10217	21.3
205.12268	48.5
211.06818	17.3
223.13405	46.3
231.21223	19.7
285.18427	23.0
336.25861	17.7
337.27481	25.7
342.00714	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	477.3574
Annotation	Oogoniol
Peak:m/z	Relative Intensity
51.30501	4.4
53.95119	4.8
55.05498	18.3
57.07058	4.8
67.05502	31.6
69.07061	7.9
70.06596	4.7
79.05479	12.2
81.07075	25.8
83.08608	15.5
86.09689	9.2
87.42999	4.0
91.05489	7.4
93.07035	16.0
95.04960	5.9
95.08601	20.1
97.10145	6.2
98.20692	10.5
100.87266	4.1
104.10727	10.4
105.07024	9.5
107.04935	18.8
107.08574	15.4
109.10149	100.0
119.08555	6.6
121.06409	5.0
121.10136	11.2
121.83981	4.1
123.11713	4.7
127.11195	73.4
137.13261	12.3
145.10103	7.0
147.08029	7.0
157.10265	4.6
159.08046	9.1
175.11162	9.2
184.07291	15.6
185.13191	7.7
187.08502	4.4
201.12726	14.4
203.14304	9.9
215.14293	5.2
231.13802	8.7
245.15424	6.2
287.20020	5.7
313.21246	4.8
313.25082	4.7
315.23135	45.7
339.23123	18.3
343.22592	11.1
423.32452	21.0
435.66269	5.1
441.33771	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	1.0
53.03943	5.7
55.01867	5.8
55.05505	19.8
56.96552	4.9
57.03438	5.2
57.07072	4.9
58.37500	1.0
61.02913	2.5
65.03938	2.9
67.05501	49.3
68.34230	1.1
69.03415	4.5
69.07059	19.4
69.25920	7.8
69.26348	3.7
70.04082	1.4
71.04985	4.8
73.02904	3.9
77.03897	1.0
79.05488	49.4
81.03416	6.8
81.07050	57.5
83.04977	7.8
83.08611	13.1
85.02896	3.7
85.06540	2.9
87.04469	1.5
88.44025	0.9
88.79690	0.9
89.06030	5.9
91.03933	1.6
91.05470	25.1
93.07036	59.2
95.04961	16.2
95.08597	40.6
97.02878	6.3
97.06522	10.3
97.10155	3.7
98.20795	2.1
98.97577	1.1
99.04440	4.3
99.08069	2.9
103.05438	2.4
105.04515	1.7
105.07021	49.9
106.07306	2.0
107.04946	13.0
107.08586	37.0
109.06501	3.6
109.10154	7.0
111.04429	1.9
111.08067	4.7
113.06076	1.3
115.05409	1.8
116.98577	1.0
117.07012	13.4
119.08571	11.5
121.06500	7.9
121.10130	19.4
123.08067	1.9
123.11666	1.6
125.05990	2.7
125.09631	1.8
127.03967	1.5
127.05013	1.3
128.06136	1.3
129.06979	3.4
130.07771	1.7
131.00165	1.0
131.08557	7.7
133.08569	3.0
133.10124	7.0
134.99573	1.1
135.08110	5.0
135.11681	40.7
137.05972	3.2
139.07498	1.3
143.08542	2.6
145.06485	1.8
145.10107	24.0
147.11699	4.7
149.09625	1.3
149.13269	12.6
153.12701	1.3
155.08586	1.6
159.11679	5.9
163.07469	2.7
163.11169	49.7
166.98389	0.9
171.11642	1.8
173.09605	1.7
177.11263	1.2
177.12740	2.3
179.07123	1.1
181.12222	12.5
189.11217	1.1
193.10078	1.0
195.11984	1.0
195.13815	3.0
209.11725	3.3
213.12787	1.2
213.14804	1.1
227.12762	100.0
228.13208	1.5
233.15352	1.6
243.07832	1.4
269.10455	2.6
273.14966	1.0
281.10587	3.0
285.10104	1.5
299.11636	2.6
305.26782	1.6
322.11697	2.5
328.13452	1.3
331.15820	1.8
347.15234	1.4
349.16870	3.8
365.15237	1.6
367.18301	2.1
367.22614	2.4
385.23734	6.4
403.24933	1.7
408.40097	1.1
459.27243	4.8
477.28406	49.4
478.28677	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.4
55.01873	13.9
55.05507	62.1
57.03429	12.5
59.04997	4.2
62.39708	1.8
67.05499	54.7
69.03414	7.2
69.07061	13.5
71.04957	11.2
79.05488	70.1
81.03400	14.5
81.07051	59.8
83.04978	9.7
83.08611	34.1
85.02897	3.6
85.06538	2.8
87.04370	1.7
91.05475	46.9
93.06470	2.1
93.07032	31.7
95.04968	23.8
95.08598	23.4
97.02834	2.1
97.06536	9.0
97.10163	52.3
99.08020	1.7
103.05457	4.2
105.07019	31.8
107.04940	41.6
107.08594	33.8
109.02821	3.0
109.06516	11.3
109.10143	14.2
109.19926	1.7
110.09659	2.9
111.04475	1.9
111.08070	6.7
113.05994	5.3
115.05428	4.6
117.07013	19.5
119.04910	2.5
119.08578	21.5
121.02795	2.3
121.06499	27.8
121.10144	12.7
123.04408	3.1
123.08048	11.2
123.11710	3.1
125.05979	2.3
125.09612	35.9
128.06212	2.2
129.06984	14.6
131.04912	5.8
131.08557	19.3
133.06447	10.9
133.10123	13.4
135.08012	11.4
135.11650	7.2
138.09068	2.2
141.06984	5.8
143.08519	10.1
145.06485	17.5
145.10097	13.8
147.04410	5.6
147.08046	9.9
147.11681	15.3
149.05934	2.3
149.09593	7.7
149.13274	2.7
150.07910	2.2
153.09056	10.5
153.12740	4.2
155.08557	7.5
157.06461	6.6
157.10120	8.6
159.08055	7.5
159.10327	2.1
159.11685	7.8
161.05966	4.3
161.09610	4.7
163.11171	10.3
165.12692	3.1
166.08656	3.8
169.06458	2.3
169.10040	4.2
171.08014	6.3
171.11661	7.2
173.09593	4.7
175.07497	2.3
175.11169	8.1
177.12744	2.9
181.10130	4.4
181.12115	1.9
183.11667	2.6
185.09636	2.9
185.13235	3.4
187.11150	4.4
187.14821	3.0
189.09447	3.2
189.11211	23.0
189.12732	5.9
193.12184	13.4
195.08043	2.4
195.11636	3.9
197.09726	3.1
197.13272	2.8
199.11188	7.7
205.12210	4.3
209.13268	3.1
211.11401	3.0
211.13306	6.9
213.12738	4.6
213.98924	2.0
215.14305	6.5
217.12286	4.1
219.13675	2.9
223.13234	3.9
225.05614	2.2
225.12727	3.2
227.12593	11.8
231.13713	4.9
233.15335	15.2
235.13280	4.4
237.12723	4.5
239.14375	2.7
241.14275	5.1
245.15388	2.6
249.14836	3.7
255.13777	5.4
259.13397	4.0
267.15866	7.0
273.14844	22.3
275.16437	3.6
287.16162	2.3
291.16010	4.6
319.03433	2.0
339.23032	7.6
349.21466	19.6
357.24136	6.9
367.22656	54.5
368.22931	2.5
385.23691	100.0
386.23889	3.0
403.24789	21.3
423.25201	3.2
424.43106	2.0
441.26001	6.2
459.27356	50.6
461.23212	2.3
477.28409	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	477.2843
Annotation	Lucidenic acid H
Peak:m/z	Relative Intensity
51.26497	2.9
55.01860	8.3
55.05509	32.4
56.96555	6.2
57.03433	17.5
57.07058	6.8
61.82788	2.7
65.03934	5.1
67.05158	4.6
67.05499	51.4
69.03443	13.0
69.07072	27.3
69.53181	20.0
71.04988	6.9
73.02914	6.0
79.05492	49.3
81.03426	19.1
81.07054	45.1
83.05005	13.1
83.08607	13.3
85.02882	8.4
85.06521	4.8
91.05472	48.6
93.07048	46.3
94.07396	2.8
95.04980	20.0
95.08595	28.2
97.02876	6.5
97.06522	8.0
97.10168	13.9
98.97572	13.8
99.04463	2.8
100.97271	2.7
103.03950	5.1
105.07037	43.5
107.04951	15.6
107.08593	24.5
109.06496	5.7
109.10156	10.9
111.08118	3.9
112.99127	3.2
113.00004	7.0
115.05438	5.4
116.98611	10.3
117.07024	36.1
119.08575	27.1
121.06507	10.7
121.10140	12.5
123.08055	6.8
123.11689	3.1
125.09610	7.7
127.03917	4.1
128.06235	7.3
129.05504	4.7
129.06993	32.8
130.07755	3.8
131.00145	7.6
131.04898	6.7
131.08566	53.3
133.06500	8.5
133.10147	22.0
134.99625	3.1
135.08078	5.4
135.11678	12.3
137.05977	3.0
137.09654	3.3
141.06961	16.6
142.07791	9.1
143.08553	39.1
144.09309	3.6
145.06474	11.6
145.10110	36.3
147.08032	7.2
147.11691	12.7
149.01213	9.1
149.13258	7.6
153.06985	6.4
154.07748	3.9
155.08542	29.0
156.09424	6.0
157.06493	8.2
157.10138	26.6
158.99646	8.8
159.08046	13.1
159.11655	20.3
161.09647	5.3
161.13293	7.6
163.11201	3.6
165.06984	4.8
166.07744	3.6
167.08582	13.5
168.09325	4.1
169.10100	26.3
170.07317	4.6
171.08047	9.6
171.11679	22.9
173.09628	12.6
173.13266	11.1
175.11205	4.7
177.00690	10.3
179.08623	7.4
181.06522	2.9
181.10138	13.9
183.08072	9.6
183.11656	20.8
185.09598	8.6
185.13222	13.4
187.07458	3.3
187.11192	8.9
187.14857	5.2
189.11276	3.4
191.10643	3.4
193.10109	4.3
195.08044	5.0
195.11696	11.7
196.08665	3.2
197.09622	10.6
197.13173	15.6
199.11209	8.6
199.14764	5.1
201.12810	5.0
207.11751	6.0
209.09621	6.2
209.13304	10.3
211.11183	10.6
211.14761	8.5
213.12740	5.1
215.14362	6.0
221.13284	5.0
223.11191	6.0
223.14838	4.3
225.12723	6.5
227.12669	5.6
229.12164	4.9
233.15332	4.6
234.00993	3.2
237.02882	3.3
237.12718	5.3
239.14256	5.2
241.12265	3.0
241.90254	2.9
243.10732	3.3
251.14314	5.9
251.51945	3.0
253.12088	3.5
255.11191	2.9
259.20584	7.0
271.20682	4.8
273.18631	3.4
276.13025	9.2
277.21576	10.3
283.20468	3.9
291.19781	5.5
293.05472	4.0
295.20471	5.2
297.22049	3.7
313.21680	6.0
321.22128	5.7
322.50980	3.1
325.21594	12.3
329.24716	3.0
337.21353	3.2
339.23224	9.8
343.22849	6.7
349.21408	18.8
357.24353	7.1
363.25473	3.5
365.23041	8.9
367.22574	44.9
373.23718	4.2
375.25330	5.3
385.23611	28.8
387.25201	6.2
399.25186	4.0
403.24838	8.0
413.26971	4.0
417.26398	16.3
423.25314	9.1
429.26251	14.2
431.27536	3.7
441.26343	58.5
459.27338	63.6
477.28461	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2749
Annotation	Emetamine
Peak:m/z	Relative Intensity
53.03925	1.4
55.01865	1.6
55.05505	8.4
55.21873	0.4
56.83654	0.5
57.03416	2.2
57.07062	0.7
60.37154	0.5
61.02903	0.5
65.03926	1.1
67.05163	0.9
67.05499	13.2
67.05859	0.6
69.03419	1.4
69.07057	3.1
70.06580	0.9
71.04980	1.3
71.59868	1.0
77.03901	0.7
79.05486	13.1
81.03418	4.7
81.07049	12.0
83.04950	2.5
83.08607	4.6
85.02897	1.2
91.05473	12.1
93.07036	7.7
95.04961	5.3
95.08592	5.3
97.02889	1.4
97.06512	1.5
97.10162	5.1
105.07019	6.7
106.06544	5.2
107.04953	8.3
107.07340	1.0
107.08590	6.3
109.06497	1.5
109.10151	3.0
111.08073	0.8
115.05449	3.8
115.24590	0.5
117.05736	1.3
117.07005	6.0
118.06534	50.1
119.04903	0.6
119.08557	4.4
120.08115	1.0
121.06480	3.4
121.10115	3.0
123.08060	0.9
123.11697	1.3
125.09620	3.3
129.06985	2.7
130.06537	1.7
130.07782	0.5
131.04958	0.6
131.07315	5.5
131.08511	4.4
132.08070	3.6
133.06523	1.1
133.08852	1.2
133.10124	2.4
134.09634	1.5
135.04399	0.5
135.08026	1.9
135.11711	2.9
137.06006	0.8
137.09512	0.5
141.06952	0.8
142.06543	3.7
143.07300	3.3
143.08530	1.5
144.08064	20.8
145.06479	2.9
145.10085	2.5
146.05998	81.1
146.09624	6.0
147.08061	1.1
147.11674	1.7
148.11153	0.6
149.09602	0.7
149.13246	1.3
153.09090	1.0
155.08557	1.4
157.10143	1.6
159.08029	1.1
159.11662	1.3
160.07559	1.2
160.11205	10.5
161.12000	0.8
163.11201	3.0
165.12741	0.9
167.08513	0.8
169.10135	0.9
170.06021	6.5
171.08058	1.0
171.11719	1.3
172.11140	1.4
173.11873	0.9
174.12766	1.9
175.11253	0.7
176.07124	0.6
181.09985	0.5
181.12227	1.4
183.11653	0.6
185.13246	0.8
187.14754	0.8
188.07048	41.2
188.14474	0.5
189.11279	2.4
189.12698	0.8
193.12192	1.7
195.11746	1.3
197.13254	1.2
202.16080	0.8
204.10307	0.9
211.13260	0.8
215.14359	1.1
217.12242	0.7
227.12703	4.8
233.15395	2.5
244.20602	11.3
244.22946	1.0
267.15887	0.9
272.20062	92.1
273.14816	1.4
273.20255	1.0
290.21124	100.0
291.21454	1.2
302.21048	0.8
328.13583	0.7
330.20636	4.6
339.23172	1.4
348.21704	0.9
349.21658	2.1
367.22589	3.5
373.76666	0.5
385.23727	6.8
403.24786	1.4
459.27203	7.2
477.27585	82.0
478.27890	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	477.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	13.8
55.05510	75.6
56.02584	3.4
57.03428	17.5
65.03931	6.7
66.97043	3.1
67.05165	6.4
67.05502	81.7
69.03419	12.1
69.07061	50.2
70.10090	19.4
71.04977	6.0
79.05057	4.5
79.05491	84.0
81.03395	23.5
81.07056	78.4
83.04971	13.2
83.08614	30.1
85.02897	6.6
85.06532	4.7
87.55464	3.3
91.05474	54.8
92.77838	3.3
93.07042	63.7
95.04955	26.1
95.08605	40.3
97.02897	20.8
97.06528	14.3
97.10162	47.0
98.21439	4.4
105.07029	51.5
107.04939	28.4
107.08575	52.3
109.06506	10.8
109.10154	24.8
111.04427	4.1
111.08068	6.3
113.00007	58.5
115.05450	5.2
117.07005	32.2
119.08584	30.9
121.06492	17.5
121.10155	19.9
123.08061	11.5
123.11761	4.5
125.09638	35.1
128.06227	4.6
129.06999	12.7
131.04921	5.4
131.08569	34.8
133.06493	9.4
133.10117	26.8
135.08052	15.2
135.11652	13.1
137.09659	5.6
143.08545	17.4
145.06500	8.5
145.10149	21.2
147.08017	10.0
147.11664	14.7
149.09610	7.7
149.13246	7.3
151.11143	8.5
153.09073	5.6
155.08609	7.3
157.06470	5.2
157.10158	9.6
159.08168	7.4
159.11716	11.2
161.09657	8.1
163.11130	7.2
165.09114	3.5
165.12741	4.2
167.08568	5.2
169.02602	5.2
171.08092	5.4
171.10193	5.0
171.11629	9.7
173.09610	6.6
173.13193	8.1
175.11203	6.3
179.10757	4.1
183.11691	6.9
187.03619	7.4
189.11180	26.5
189.12682	5.3
191.10698	5.1
193.12280	5.5
195.11676	3.5
199.11188	6.2
205.12294	3.8
207.11652	4.3
215.14365	9.9
223.13231	27.5
227.12665	21.3
233.15335	8.2
245.19022	5.4
249.14821	3.5
253.14247	5.5
269.15201	3.5
273.15387	6.4
273.18521	23.6
275.16486	3.7
291.19516	100.0
330.53641	3.2
331.10504	5.4
339.23077	4.7
347.22079	6.8
349.21576	14.8
357.23978	3.5
365.23199	93.7
366.23447	4.9
367.22800	30.2
385.23621	41.4
403.24643	21.7
441.20361	9.4
441.26270	10.1
459.21332	8.1
459.27319	49.5
477.28348	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
53.16646	0.3
55.01869	0.8
55.05513	2.0
57.03440	0.5
58.28794	0.3
67.05486	1.6
69.03423	0.8
69.07053	0.8
70.06584	0.8
71.59720	0.5
76.91462	0.3
79.05485	2.9
81.03414	0.9
81.07043	1.4
83.08630	0.6
85.02895	0.7
89.78822	0.3
91.05477	1.2
93.07033	1.4
95.04961	2.9
95.08624	0.8
97.02892	0.4
97.06499	0.5
97.10142	1.3
105.07033	0.8
106.06561	4.3
107.04948	100.0
108.05287	1.7
113.70659	0.4
117.06981	0.6
118.06590	0.4
119.08607	0.5
120.08089	0.6
121.06519	0.7
121.10137	0.5
123.08087	0.4
125.09608	0.9
129.07030	0.6
130.06526	8.1
130.18484	0.3
131.04932	2.3
132.08090	6.5
133.10110	0.4
142.06491	0.5
144.08096	0.4
145.06473	0.7
149.05922	0.4
152.40121	0.4
158.05606	0.5
159.09172	25.0
160.07608	1.0
160.09488	0.4
167.08548	1.0
169.06555	0.4
171.09198	0.9
177.07007	0.5
181.06505	0.4
181.85619	0.3
189.11240	0.8
195.08095	0.9
198.11308	0.7
198.50989	0.3
199.07602	1.1
199.11713	0.7
204.08118	1.2
211.07669	0.4
220.07603	0.5
221.08327	0.7
222.09129	38.2
223.09514	0.7
233.08336	0.5
234.09138	1.9
236.10681	8.5
246.09093	0.8
248.10709	10.5
265.13354	17.5
266.13824	0.3
285.10220	0.6
315.17960	0.5
328.13293	45.1
329.13593	2.1
342.14798	0.6
349.21848	0.6
354.14859	5.5
367.22757	1.4
371.17416	8.1
385.23865	2.1
434.17429	1.4
459.27725	1.7
477.15622	0.6
477.21890	2.2
477.31485	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1754
Annotation	CHEBI:69638
Peak:m/z	Relative Intensity
55.01860	1.6
63.66720	0.8
65.03929	1.7
67.20340	0.7
69.82549	2.6
69.82961	1.5
70.06601	5.3
72.08140	1.2
72.38654	0.7
81.03407	2.1
84.08137	2.1
85.02909	1.0
86.09703	1.3
91.05459	2.8
95.04968	4.8
97.02914	1.1
99.80428	0.8
103.05434	1.0
107.04953	44.5
110.07188	1.3
111.04446	2.7
115.05428	1.1
117.07022	1.8
119.04948	1.3
121.02864	100.0
122.03206	1.7
123.04420	10.1
129.06964	1.7
131.04903	5.2
131.08559	7.4
133.06467	1.8
135.04349	1.2
141.06981	3.0
144.05696	7.3
145.06499	5.1
157.06471	1.8
159.08051	46.0
161.06029	1.6
161.89542	0.8
169.07680	1.1
173.05998	3.6
175.07486	4.2
185.05995	1.2
191.07024	8.4
191.08574	1.0
199.07607	1.1
203.06984	6.7
203.08604	1.1
209.06204	0.8
231.08078	3.5
237.09016	1.1
249.09134	5.2
251.10728	1.2
261.09085	4.2
267.10153	23.5
279.10114	9.0
285.11221	8.5
296.65869	0.8
297.07913	0.7
297.11182	16.6
315.12253	28.1
404.89865	1.1
477.23157	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1753
Annotation	CHEBI:69638
Peak:m/z	Relative Intensity
55.01868	2.2
55.05507	1.8
56.05026	2.6
58.99585	0.8
59.55761	0.6
60.04515	1.4
60.05642	1.9
65.03948	2.9
68.99776	0.8
69.07035	0.6
70.02956	0.7
70.06590	22.8
71.57922	1.2
72.08148	6.3
74.06068	0.9
76.02231	1.6
79.05496	2.2
81.03419	2.5
81.07034	0.9
84.04510	5.8
84.08141	9.9
85.02917	1.0
86.09702	11.7
87.10021	0.9
88.04001	1.0
91.05454	4.7
93.07047	0.7
94.06567	2.5
95.04955	6.9
95.06102	0.8
97.02908	1.1
101.07128	0.8
102.05553	2.0
103.05473	0.6
104.05325	0.9
104.10744	0.7
105.07039	1.6
107.04949	100.0
108.05280	1.5
110.07167	5.0
111.04436	3.0
112.08701	0.9
115.05445	0.9
115.08649	1.0
116.01720	0.8
116.07085	1.8
117.07016	1.2
119.04913	2.4
120.04432	0.8
120.08115	3.6
121.02861	99.6
122.03216	1.1
123.04416	10.6
126.05430	0.8
129.06998	2.1
129.10237	5.1
130.04967	1.8
130.08604	0.9
131.04926	6.8
131.08577	9.3
132.05637	0.9
133.06468	3.2
135.04460	1.1
136.07610	4.2
141.06978	3.8
144.01260	0.8
144.05695	6.3
145.06458	5.3
146.06020	1.5
147.04343	1.4
147.07895	1.3
149.05922	0.8
155.08080	0.9
157.06496	2.9
159.08049	49.4
161.06036	2.0
162.02176	1.1
163.02094	1.2
169.07642	2.2
173.06026	3.8
174.05421	1.1
175.07501	5.4
178.07080	2.8
179.04889	1.7
184.07312	1.6
191.07036	11.0
192.06593	2.5
199.07538	1.2
203.06999	5.9
209.09135	4.2
215.13939	0.7
231.08072	1.9
233.09619	1.3
235.07660	0.9
249.09190	5.4
251.10654	1.9
261.09207	3.8
264.07748	1.0
267.10168	22.1
268.10464	0.9
279.10132	8.1
285.11191	6.9
292.26056	0.7
296.40753	0.6
297.11206	16.0
315.12244	28.1
316.12704	0.8
477.17383	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34343	0.8
55.05510	0.9
56.05022	1.0
67.13388	0.7
68.05032	0.9
70.06590	12.0
71.06918	1.3
71.59641	1.6
72.08146	3.3
72.93768	4.2
83.05040	0.9
84.04491	2.4
84.08146	4.1
85.02878	1.7
86.06099	0.8
86.09705	5.2
87.22570	0.8
89.96365	0.8
90.94802	2.2
91.05469	1.1
97.02882	1.1
101.96432	1.4
102.03751	2.7
102.05508	0.9
107.04940	6.3
108.35107	0.7
110.07162	1.9
112.48281	0.8
112.49088	0.8
113.96372	2.6
114.03754	3.4
116.07066	1.0
119.04977	1.0
120.08124	1.4
121.02879	0.9
122.05259	0.8
129.10243	2.4
131.97446	3.5
133.06503	1.2
136.07625	1.1
141.10138	1.2
143.97386	1.9
147.04395	1.0
147.95142	1.4
149.96733	1.4
150.95087	1.8
150.96930	1.7
152.97444	1.3
156.95070	1.3
157.06429	0.9
157.99008	1.2
159.96906	0.9
163.94713	1.2
166.99034	1.4
168.96951	1.1
170.98515	36.9
173.96692	3.9
173.98364	1.0
184.00488	1.1
184.98302	3.4
185.00060	3.3
185.96692	1.0
186.97836	1.8
188.99513	5.6
190.01651	1.0
191.97749	3.9
202.01633	0.9
202.95615	1.2
202.99356	31.4
203.97807	6.3
207.02144	2.3
207.06450	1.0
212.97804	7.1
215.97781	2.0
221.00423	26.5
221.98752	3.7
222.00616	0.9
222.08418	1.1
225.03224	18.8
228.97197	4.5
230.98843	35.3
233.98819	2.0
240.97218	2.3
243.04216	1.5
243.99614	1.1
244.02216	1.2
245.00114	2.3
246.98331	14.4
247.98509	1.5
258.98355	19.0
261.13235	0.9
267.02475	13.4
276.99435	6.1
285.03546	43.1
286.17853	0.9
287.01422	6.6
297.03540	28.9
297.06934	1.5
303.04562	6.8
304.05002	1.0
315.04599	100.0
316.04745	2.9
326.06345	1.0
329.02448	2.7
332.04599	3.0
333.05634	94.3
334.05838	3.2
338.06262	1.5
345.05621	2.1
356.07315	2.0
357.05655	9.8
375.06726	45.2
376.07135	1.6
400.84213	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96288	2.4
56.96559	33.9
66.26608	1.1
66.45564	1.1
68.05026	1.9
69.03412	3.1
69.84058	7.3
70.06596	9.7
70.29644	0.9
72.08149	1.9
73.02892	1.7
74.06104	1.8
84.04488	1.8
84.08167	2.4
84.96025	19.1
85.02895	5.6
86.06070	6.4
86.09695	5.3
91.05418	1.3
94.06561	4.0
97.02882	2.1
98.97575	28.3
102.97060	4.0
105.07073	1.4
107.04939	16.8
110.97603	3.6
112.99155	1.2
115.75329	1.3
116.07059	2.6
116.98619	28.9
118.06512	2.5
120.98089	2.7
121.02867	1.5
126.33585	1.2
127.03901	2.1
128.07108	1.8
128.98584	10.2
129.10176	1.3
131.00145	3.3
132.08104	1.5
133.06427	2.7
134.06801	1.6
134.99651	19.2
136.07544	5.4
143.00156	5.2
144.46094	1.0
144.98045	2.0
146.05984	8.2
146.94734	1.0
146.99667	13.3
149.01204	3.6
150.05450	1.3
151.00594	1.1
153.00682	2.3
158.99635	5.8
160.07593	1.4
161.01210	26.1
161.05977	2.5
162.06422	1.8
162.99113	3.7
165.00720	2.1
169.01718	7.8
170.99631	3.0
174.05518	1.9
176.98596	2.9
177.00746	9.0
179.00195	3.5
179.02280	8.5
182.08234	1.2
187.02783	22.9
189.00665	4.4
192.06554	6.0
192.58231	1.3
193.08620	2.3
194.08896	1.4
194.99600	10.6
197.01204	11.3
201.00668	7.0
205.03790	3.3
207.01706	1.9
209.01144	2.8
209.09247	5.1
213.00688	66.8
215.02199	2.6
218.99733	2.6
219.01747	31.9
231.01727	21.0
231.13390	3.8
236.02249	1.9
237.00641	7.8
237.02788	58.0
239.02280	1.5
242.03409	1.8
249.04276	1.5
255.01666	18.6
255.03905	3.1
260.04498	2.3
260.07123	1.2
261.00635	4.4
263.02280	3.4
267.01627	1.8
273.03064	1.7
277.03867	3.2
279.01697	11.1
281.03311	10.3
291.01691	3.0
297.02820	7.1
297.10843	1.4
298.12775	2.3
309.02695	2.3
315.04758	1.8
321.02744	9.6
339.03851	100.0
340.04144	1.8
357.04892	66.0
362.05472	3.1
363.17517	3.3
364.17871	1.5
375.05875	1.6
380.06561	4.4
409.13867	1.3
422.55118	1.4
477.06683	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.3
55.05496	0.7
55.61746	0.4
56.05031	0.6
57.03405	0.7
57.07045	0.4
59.04998	5.7
61.02923	0.5
65.03924	0.4
67.05499	2.2
69.03423	5.3
69.07052	1.1
70.04081	1.8
70.06591	4.2
70.16860	0.7
70.17258	1.0
71.04987	1.4
72.08131	1.0
73.02909	5.4
73.06557	3.2
74.06091	0.5
79.05464	0.8
81.03394	1.1
81.07043	1.3
83.04959	0.8
83.08619	0.4
84.04489	1.2
84.08136	2.0
85.02898	1.9
86.06052	1.0
86.09715	2.1
87.04462	100.0
88.04798	0.6
89.06024	18.1
91.05469	2.9
93.07035	1.2
95.04959	4.9
95.06056	0.7
95.08599	0.6
96.10712	0.4
97.02901	0.8
97.06528	1.6
98.06059	0.4
98.20691	0.5
99.04469	0.6
101.06039	0.5
102.32387	0.5
105.07043	1.2
107.04954	6.6
107.07053	1.1
107.08575	0.8
108.05304	0.5
109.06545	0.7
109.10118	0.5
110.07152	0.7
113.06001	14.3
114.09247	0.5
115.05486	0.6
115.07555	0.7
117.07032	0.6
117.09138	2.6
119.08533	0.5
120.08089	1.7
121.06497	1.2
121.10124	0.5
124.07581	0.4
125.09729	0.5
127.03896	0.6
129.10237	0.6
130.08649	0.4
131.07031	13.5
132.04547	0.4
133.08589	8.7
136.07579	0.7
137.05965	1.1
138.09045	0.4
139.07533	0.8
147.08049	6.5
151.09592	0.5
151.11208	0.5
157.08611	2.5
161.06052	0.4
163.03911	0.5
175.09689	5.0
177.11211	3.2
190.56270	0.4
201.11168	2.4
219.12250	3.8
227.16405	0.8
228.16678	0.8
237.13412	0.5
245.13821	0.6
259.09698	0.4
272.12946	0.5
289.16470	0.7
307.17441	0.5
395.22534	2.5
458.17233	0.6
476.18295	1.0
476.24701	1.7
476.32532	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.0
55.88845	0.9
56.05024	2.7
57.03437	1.9
57.81667	0.8
58.99583	1.9
60.04518	3.7
61.95483	0.9
67.05507	2.7
68.76894	0.9
69.03434	8.1
69.07066	2.2
70.02950	0.9
70.06593	50.9
71.04992	1.3
71.06926	1.5
71.58852	1.3
72.08157	14.4
73.06565	1.9
74.06090	2.3
76.02229	11.9
79.05489	1.4
81.03433	2.0
81.07051	2.9
81.95740	0.9
82.06579	1.5
82.93774	0.9
83.06109	1.1
83.08606	2.5
84.04509	10.9
84.08144	13.6
85.02897	2.0
86.06028	1.0
86.09702	24.1
87.04470	9.3
87.05597	1.0
87.10040	2.3
88.03999	1.7
89.06032	100.0
91.05479	3.3
93.07063	1.3
95.04977	3.3
97.02888	1.1
98.06075	2.4
102.05533	1.8
104.10744	1.6
105.07056	1.5
107.04966	7.5
107.07048	5.5
110.07162	8.7
111.71807	0.9
112.08715	1.1
115.08669	1.3
116.01687	1.7
116.07106	1.4
117.06927	0.9
117.09188	0.9
120.08119	6.8
121.02874	3.7
123.11684	0.8
129.10248	7.6
130.05023	3.1
130.06496	1.1
130.08650	1.5
131.04941	1.5
131.07048	2.0
132.95564	0.9
133.08604	60.6
136.07582	2.4
137.05980	3.7
142.03256	1.6
144.01141	1.4
145.06445	1.1
147.07724	1.0
151.93565	1.0
159.07985	1.8
159.09233	1.7
162.02185	4.7
164.10699	1.6
169.12210	2.3
173.12880	2.0
177.11226	19.2
177.12677	1.6
179.04851	10.0
179.57841	1.1
184.07394	2.5
199.10632	1.0
204.31987	0.8
205.09810	1.0
206.12973	0.9
219.01532	1.1
221.13892	1.5
226.11862	1.0
233.05859	2.8
239.14900	2.1
245.06842	0.9
263.13885	4.3
291.25787	1.0
308.09015	5.9
327.20062	1.0
385.07196	0.9
390.26901	0.9
415.25507	1.5
423.37347	1.0
456.58673	1.0
459.11658	1.1
459.28220	5.6
460.99860	1.0
477.17685	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.05509	8.0
57.03433	4.9
57.07079	2.9
62.06100	2.4
65.03938	1.2
67.05504	33.3
69.07073	8.0
71.59124	1.8
79.05498	17.6
81.07050	31.9
83.04998	1.4
83.08626	3.4
84.08150	1.4
84.08983	1.2
85.06498	1.2
89.78736	1.1
91.05477	12.0
93.07046	25.0
95.04951	2.6
95.08607	18.5
97.06521	1.1
97.10174	2.8
105.07040	7.9
106.82850	1.4
107.08580	8.7
109.10149	8.4
110.30299	1.4
112.99949	1.2
117.07040	3.2
119.08566	6.0
120.08089	1.1
121.10141	6.6
123.11708	1.9
131.08549	6.0
133.10147	3.6
135.11710	4.8
137.13225	1.2
143.08600	1.2
145.10124	3.8
147.11661	2.7
149.13214	2.5
150.29445	1.2
159.11723	3.3
161.13353	2.0
173.13368	3.0
175.14944	1.4
235.69893	1.3
243.21190	3.7
249.73616	1.3
261.22165	3.1
264.55701	1.2
296.21008	1.5
304.26242	2.7
317.24612	1.8
335.25781	100.0
336.26141	2.8
408.29114	1.3
440.32352	2.6
466.21634	1.4
470.02545	1.2
476.34879	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	15.3
56.84191	2.3
57.03434	18.7
57.06823	3.7
57.07075	45.8
62.06077	3.7
62.74067	2.2
67.05501	23.3
67.12574	2.4
69.03419	2.6
69.07065	14.6
71.08632	38.5
71.59561	3.9
79.05489	12.9
81.07063	32.1
81.07533	4.0
83.08618	15.4
85.10184	22.5
90.39672	2.7
91.05480	8.1
93.07051	16.3
95.08606	38.2
95.89428	2.3
97.10155	8.3
97.78975	2.5
98.10464	2.3
100.25997	2.4
103.35128	2.6
105.07006	5.2
107.08588	9.8
109.10149	15.9
111.11647	3.6
115.55239	2.5
120.96637	94.2
120.97517	5.3
121.10142	3.6
123.11709	8.0
133.10059	2.9
135.11653	4.6
137.89159	2.6
138.97639	3.0
145.99744	6.4
151.14845	2.7
164.00833	84.0
169.08522	2.9
175.14803	2.7
176.15172	3.1
192.84448	2.6
193.15848	3.2
195.00291	6.5
200.01581	4.5
239.23877	3.1
263.16544	5.8
264.16837	8.0
265.18054	3.3
266.18365	4.8
269.84369	2.5
313.27350	70.2
335.25760	60.6
415.22101	3.3
433.23248	100.0
458.32742	3.4
476.27365	28.0
476.34372	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57193	1.3
55.05506	5.1
67.05501	18.0
69.07067	5.1
69.87077	7.2
79.05486	7.8
81.07066	14.3
82.25163	1.1
83.08615	1.5
85.05293	2.8
91.05482	2.7
93.07034	5.7
95.08613	10.0
98.06059	13.5
98.92917	1.3
98.98470	4.3
105.07029	2.6
107.08601	3.3
109.10160	3.9
112.07590	2.3
118.71999	1.2
121.10155	2.5
126.09327	1.4
138.09113	1.3
196.52475	1.2
303.11942	1.4
304.26352	100.0
305.26630	1.7
309.85019	1.2
335.25800	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	476.277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19489	2.4
55.05502	7.8
57.03436	5.7
60.00044	2.3
62.05837	2.0
62.06094	24.3
67.05502	33.0
69.07063	8.0
70.72765	4.6
70.73138	4.2
77.20343	1.9
79.05494	19.1
81.07065	33.8
83.08639	3.4
84.77180	2.3
91.05478	14.5
93.07038	24.0
95.08612	26.5
98.98471	4.6
105.07024	11.2
107.08591	11.0
109.10128	11.3
117.06949	4.6
119.08572	7.4
121.10120	7.8
123.11681	3.1
131.08551	6.1
133.10121	5.4
135.11670	4.7
137.13223	2.7
145.10126	7.8
149.09648	3.2
149.13268	4.8
159.11652	4.0
173.13254	2.3
182.47157	2.2
216.06233	3.7
243.21077	6.2
261.22244	12.9
276.16025	2.5
302.58188	2.5
304.26199	8.2
317.24643	9.2
335.25784	100.0
415.22400	4.2
458.26215	3.8
476.27515	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	476.277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17375	0.8
52.69179	0.8
53.03953	1.0
55.01867	1.7
55.05515	5.9
55.49001	0.9
57.03431	5.9
57.07079	1.6
62.06057	1.4
65.03923	1.1
67.05505	32.3
69.07065	7.7
70.13432	4.3
73.02966	0.9
77.03906	1.1
79.05493	15.3
81.07056	24.6
83.04942	1.5
83.08614	2.8
91.05479	10.2
93.06487	1.4
93.07048	21.1
95.04960	2.4
95.08611	20.1
97.06515	1.2
97.10172	1.0
105.07037	5.9
107.08588	8.7
109.10162	5.8
117.06983	2.8
119.08562	2.3
121.10159	7.0
123.11670	1.7
131.08528	4.6
133.10126	2.7
135.11674	4.2
145.10092	1.8
147.11670	1.2
149.13234	1.7
159.11711	1.8
161.13300	1.1
163.14816	1.3
173.13257	2.2
180.75703	1.0
243.21066	1.3
247.61653	0.8
261.22159	4.3
275.65421	1.0
304.26526	1.3
317.24615	2.5
335.25806	100.0
336.26053	2.2
347.06110	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.275
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61066	0.9
54.67994	0.9
57.03429	2.1
57.07076	8.6
67.05507	2.0
69.07082	1.8
71.08629	5.8
71.60158	1.9
71.71143	1.0
81.07069	3.4
83.08611	3.0
84.99342	1.0
85.10179	3.8
95.08614	3.8
104.10752	3.5
109.10154	1.5
120.96651	8.5
137.13245	1.0
140.68323	1.0
145.99774	1.9
164.00821	2.1
176.99269	1.9
184.07372	1.0
187.54659	1.0
195.00279	7.1
214.99922	1.3
313.27380	18.0
353.26572	1.9
415.22150	19.5
416.22675	1.1
433.23279	100.0
434.23300	3.6
453.23083	1.7
476.27411	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	476.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	10.0
57.03437	6.2
62.06088	34.6
67.05509	29.9
69.07072	11.6
69.30213	3.5
69.87221	18.9
79.05483	22.5
81.07043	22.5
83.08613	4.8
90.32713	3.4
91.05501	8.6
93.07044	23.9
95.08599	20.7
98.98476	13.1
103.65182	3.7
105.07056	4.2
107.08587	8.8
109.10162	8.5
118.90995	3.3
119.08647	3.2
121.10142	9.6
133.10153	7.6
135.11726	4.3
243.20892	3.6
261.22156	8.4
304.26416	10.9
309.49396	3.9
335.25775	100.0
457.00955	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.3
57.03434	4.9
67.05170	1.9
67.05505	22.9
69.07068	6.0
70.00391	4.2
79.05495	12.2
81.07053	21.0
83.08617	1.8
88.49247	1.1
91.05481	4.5
93.07040	12.6
95.05003	1.3
95.08612	16.6
98.35746	1.1
99.75803	1.1
105.07027	3.0
107.08600	6.0
109.10174	8.2
111.59708	1.1
117.07050	1.5
119.08556	2.2
121.10157	4.4
123.11719	2.4
131.08591	1.5
133.10126	2.0
135.11678	3.6
147.11734	1.4
149.13252	1.7
192.50923	1.2
261.22244	1.2
285.46036	1.1
304.26447	1.3
305.12234	1.1
329.20767	1.1
335.25790	100.0
336.26068	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.6
55.05511	4.9
57.03425	7.0
57.07080	3.0
59.05083	2.4
62.06092	47.9
67.05501	29.4
69.07060	5.6
69.91537	13.0
69.91933	6.9
72.08147	2.9
73.71255	3.0
79.05492	32.7
81.07062	28.0
83.08620	5.5
84.83647	3.1
91.05500	19.4
93.07052	34.3
95.08612	23.4
98.98438	12.5
105.07036	5.2
107.08560	8.6
109.10139	6.9
111.45757	3.3
119.08590	6.2
121.10139	8.1
131.08546	5.8
133.10110	5.5
135.11697	5.5
145.10136	4.2
151.14807	4.2
155.01045	3.6
163.14732	7.6
173.02055	3.4
192.42813	2.9
216.06345	4.5
222.72212	3.1
243.21112	8.7
261.22226	6.2
304.26358	10.0
335.22040	5.2
335.25824	100.0
336.26520	3.5
346.41083	4.0
382.05020	3.0
398.89337	3.8
458.26572	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
53.25853	0.6
53.32889	0.6
55.01862	1.1
55.05510	6.2
56.59047	0.7
56.96556	1.5
57.03428	1.1
57.07064	2.0
59.80468	0.7
62.06068	1.1
62.15057	0.6
65.03909	0.9
67.05499	22.3
68.05836	1.0
69.03403	1.0
69.07066	9.2
69.66267	2.1
69.66685	2.7
70.04060	1.9
71.05021	0.7
79.05488	12.8
80.05814	1.9
81.03397	1.5
81.07053	17.9
82.07384	2.1
83.04953	1.5
83.08602	2.6
85.02892	1.4
85.05274	2.5
87.04464	0.9
91.05488	7.9
92.05815	1.2
93.07038	12.2
94.07364	1.7
95.02248	0.7
95.04963	2.8
95.08606	11.4
96.08926	1.0
97.02856	0.9
97.06514	1.3
97.10179	1.5
98.05488	1.1
98.06052	12.1
98.21486	1.0
98.97538	0.7
98.98438	2.8
105.07020	4.6
106.04967	0.8
106.07312	1.3
107.04933	2.7
107.08594	5.6
108.08885	1.1
109.06508	0.9
109.10133	4.1
110.03536	0.9
111.08030	0.7
112.07603	1.6
117.07012	1.6
119.08588	3.0
121.06506	0.8
121.10138	2.6
123.11684	0.8
129.06989	1.3
131.08578	1.9
133.10126	1.9
135.11681	1.2
145.10144	0.9
147.11682	2.0
149.13219	1.5
159.11766	1.0
161.05670	0.9
161.13220	1.7
167.09206	0.7
171.11674	1.2
172.11975	1.4
207.13823	1.9
208.13934	0.7
208.16939	1.9
215.06042	0.8
217.07603	0.7
222.18549	0.8
230.15471	0.9
240.92496	0.7
248.20152	1.0
251.22487	0.6
267.09195	0.8
281.10684	0.9
299.11490	0.8
304.26324	100.0
305.26773	1.7
316.11334	0.7
322.11761	2.1
374.12079	1.6
375.11267	0.8
386.79739	0.7
476.30954	6.4
483.45795	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16294	1.4
55.05503	5.2
56.05034	1.7
56.96532	1.5
57.03442	1.4
58.06593	1.9
60.08168	5.9
67.05495	4.2
69.07092	3.5
70.06598	17.5
71.07372	4.6
71.59136	1.7
72.08138	4.3
79.05517	2.3
81.07056	5.0
83.08604	1.9
84.04518	3.6
84.08143	7.2
86.09710	33.1
87.10017	1.7
91.05473	5.1
93.07047	3.5
95.04992	2.1
95.08604	5.7
98.94378	1.6
102.05547	1.5
103.05411	1.7
104.10748	100.0
105.07038	5.0
107.04963	13.3
109.10156	2.8
110.07183	3.9
117.06986	1.7
119.08593	2.0
120.08131	5.8
120.65467	1.3
121.06540	1.4
121.10110	1.5
124.99992	1.7
129.07045	1.9
129.10243	4.6
131.04944	4.0
133.06493	4.6
135.11682	2.0
137.05971	4.2
145.06538	2.4
145.10173	1.5
146.98193	11.6
147.11690	2.5
157.06483	4.9
158.05629	3.1
158.18178	1.4
160.59796	1.7
169.06526	2.4
184.07359	4.9
203.08511	1.4
236.00731	1.4
291.10269	5.0
293.17297	5.1
302.15152	1.5
320.16080	2.0
322.93304	1.5
335.22397	1.5
352.18741	1.9
370.19989	3.6
417.16507	61.6
418.16663	1.7
476.23816	11.4
476.30972	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	476.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17604	0.4
55.05503	2.1
56.05037	0.8
57.03425	0.7
58.06594	1.2
60.08165	5.2
67.05500	3.1
69.07061	1.5
69.82124	2.0
69.82529	1.2
70.06596	3.1
71.07376	4.3
72.08134	0.7
79.05489	1.9
81.03370	0.5
81.07060	6.1
83.04987	0.8
83.08605	0.9
84.08128	1.2
86.09705	23.0
88.74143	0.5
91.05482	1.3
93.07052	1.7
95.08605	5.9
97.06525	0.6
99.87693	0.6
104.10744	100.0
105.07027	1.9
105.11079	0.6
107.04948	3.0
107.08573	0.6
109.06545	0.5
109.10146	0.8
109.31397	0.5
110.07157	0.9
119.08582	1.8
120.08109	0.9
125.00051	0.9
131.04921	0.6
133.10141	1.1
135.11671	0.6
146.98189	11.8
147.11700	2.2
161.13235	1.2
176.99287	0.7
179.14238	0.6
184.07324	1.1
238.17548	0.6
270.23624	0.5
271.19250	0.6
291.02838	0.5
293.17252	6.0
296.13019	0.8
355.12863	0.8
417.16498	54.5
418.16888	1.3
450.57166	0.5
476.23782	8.3
476.31244	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	476.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24957	1.0
55.05302	1.2
55.05511	13.5
56.05034	2.3
56.96577	1.4
57.03439	8.2
57.38668	1.0
58.06620	1.3
60.02393	0.9
60.08143	1.2
62.91586	1.1
67.05505	16.8
69.03420	1.7
69.06757	1.6
69.07069	11.3
69.30782	11.6
70.04092	1.4
70.06593	12.8
71.04975	3.5
71.07366	11.3
72.08155	3.4
74.06071	1.0
76.02217	2.7
79.05497	9.0
81.03448	1.5
81.07056	27.6
82.06587	1.1
83.04976	2.0
83.08619	13.1
84.04502	5.0
84.08147	6.0
85.06557	3.4
85.37399	1.1
86.09707	66.0
91.05468	7.6
93.07034	6.5
95.04991	1.9
95.08604	27.9
97.06542	4.0
97.10156	1.8
98.09679	1.8
98.98453	1.5
100.07645	1.2
100.11257	8.4
104.10751	6.9
105.07054	6.7
107.04970	8.1
107.08593	2.9
109.06514	1.4
109.10157	4.6
110.07151	2.9
111.04453	2.4
111.08078	1.9
119.08610	4.3
120.08089	3.6
121.06519	1.0
123.08060	1.7
125.00014	3.9
128.10709	1.6
128.29953	1.2
129.06950	2.0
129.10257	2.7
130.05028	1.4
131.04950	1.2
133.06499	2.5
133.10138	7.4
133.88232	1.2
135.11674	1.9
137.13219	1.2
145.06390	1.2
145.13374	1.2
146.98180	63.3
161.13231	5.5
164.99207	3.2
179.04843	2.3
179.14323	1.4
182.15411	3.6
184.07361	8.6
209.16412	1.4
210.14932	4.1
240.09886	2.0
246.60547	2.9
253.18088	1.2
267.70969	1.2
271.19064	10.1
293.17239	65.2
294.17590	2.1
303.64127	3.3
331.74622	1.4
365.04230	1.3
417.16495	100.0
418.16776	4.1
475.82562	12.6
476.17493	2.1
476.23831	27.5
476.32236	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	476.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.0
55.01857	8.5
57.03432	4.6
61.02914	5.7
64.51290	3.3
67.05503	10.7
69.03429	25.4
70.06586	6.6
70.84782	6.5
70.85121	3.5
71.04640	2.4
71.04987	16.2
72.54892	2.8
73.02908	3.7
79.05496	13.6
81.03428	19.4
81.07056	10.3
83.04972	5.1
85.02899	71.2
85.06542	5.3
86.09738	4.0
87.00829	30.6
87.04445	6.5
91.03968	2.9
91.05473	18.8
93.07037	21.3
95.04989	4.3
97.02879	19.3
99.04443	9.8
99.08022	3.1
105.01861	48.0
105.07010	13.6
107.04932	15.0
107.08589	13.4
109.02883	21.2
109.06506	6.1
117.07025	2.9
119.08582	11.4
123.08054	12.3
127.03920	40.3
129.01778	3.6
129.06940	4.1
131.08557	7.4
133.06491	6.9
133.10095	22.4
135.08069	3.4
140.03098	2.6
145.04945	11.3
145.10118	4.6
147.08070	10.4
147.11722	14.3
147.92473	2.3
149.09621	8.0
151.11191	12.4
157.10081	4.6
159.02898	4.1
169.12204	2.9
175.11160	42.8
188.04649	3.0
193.12238	100.0
211.13280	35.9
213.03868	4.1
231.04944	16.3
249.06097	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	476.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52579	1.9
56.23944	1.9
69.84462	7.1
69.84869	3.3
74.06078	1.7
84.04486	2.8
93.07025	2.0
98.21446	1.9
98.37263	1.7
103.05480	8.8
107.04966	2.6
120.08108	100.0
131.04924	3.0
149.05989	2.2
166.08629	45.0
182.77135	1.8
473.01331	2.1
474.17975	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.3
53.03939	0.7
55.05504	0.9
56.05021	0.8
57.03424	0.4
65.73734	0.3
67.05473	0.7
69.03427	1.3
69.07061	0.6
70.06591	6.0
70.51385	1.1
72.08160	1.8
76.02222	0.9
77.03901	0.5
79.05494	1.7
81.03404	0.6
81.07046	0.6
84.04502	1.7
84.08140	2.1
85.02883	0.5
86.09704	3.8
88.04022	0.4
91.05479	0.8
95.04939	1.6
95.50162	0.4
97.97665	0.3
100.05061	0.3
100.11244	0.5
103.04189	0.3
104.10725	0.5
105.04471	0.4
107.04953	100.0
108.05279	0.8
108.09866	0.3
110.07156	0.8
116.01640	0.4
116.07040	0.4
119.04942	0.4
120.08109	1.4
121.02883	0.5
121.06507	0.3
123.85856	0.3
129.10231	0.7
131.08461	0.3
133.06471	0.6
136.07623	0.6
137.05952	0.5
142.03319	0.4
145.06416	0.3
146.11795	0.4
158.05605	0.6
169.06371	0.4
179.04852	1.2
182.15469	0.4
184.07410	1.5
187.14471	0.5
248.15981	0.4
302.15057	0.5
326.67978	0.3
352.18716	0.4
370.19754	1.0
439.87094	0.3
458.19632	0.3
476.33041	1.2
477.17957	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07416	1.6
53.03939	3.0
55.01863	2.9
60.04523	24.8
67.05499	4.1
69.03399	5.8
70.06585	16.4
71.00124	2.0
71.00455	4.0
72.08140	4.8
74.06080	2.0
75.70477	1.5
79.05482	8.6
81.03403	2.8
84.08126	6.3
85.02916	11.5
86.06073	2.8
86.09712	12.0
87.04449	5.3
87.10034	2.2
88.07628	3.3
94.06538	3.3
95.04989	8.5
95.05488	2.0
97.02868	3.3
97.06536	1.9
98.06029	3.8
103.05443	3.2
107.04946	100.0
109.02891	2.4
113.05985	3.1
116.07063	3.6
117.03352	7.4
120.08099	24.3
121.06464	10.4
122.06011	4.1
123.03557	2.8
123.04424	50.9
124.07625	2.7
125.05993	23.8
127.03870	3.1
129.10245	3.6
131.04927	3.7
133.05228	4.3
133.08643	2.1
136.07535	4.1
138.09126	4.3
140.32408	1.9
145.02826	26.6
145.59575	1.8
147.04370	2.6
148.07561	59.4
149.05952	8.3
166.08633	55.0
173.41971	1.5
177.05455	28.7
187.50534	1.8
190.05090	1.8
201.12326	2.3
221.08069	88.5
279.12222	1.6
296.14923	4.0
313.43854	1.8
314.16003	11.1
314.19269	1.7
332.55963	1.9
370.24249	4.6
417.15433	15.8
431.59637	1.9
476.21848	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	476.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.5
53.03942	2.1
55.01859	4.1
57.03428	1.6
60.04507	1.7
61.02925	1.5
68.99764	0.7
69.03422	7.3
69.47585	2.0
69.48013	2.5
70.06590	3.5
70.20088	0.4
71.04990	0.7
72.08138	0.8
72.61604	0.5
73.02901	2.2
74.09750	0.5
79.05484	3.6
81.03403	7.3
84.04486	1.1
84.08127	1.1
85.02895	17.0
86.09686	2.0
87.00827	6.1
87.04446	0.8
91.03967	0.7
91.05462	4.3
93.06994	0.6
95.04961	1.5
97.02882	6.2
99.04440	3.6
101.09210	0.5
103.05450	5.5
105.01861	5.3
105.07020	44.9
107.04944	3.0
108.04427	3.2
109.02864	6.4
110.07106	0.7
115.05434	8.5
118.04163	2.1
119.04887	1.1
126.05472	1.5
127.03906	10.0
129.01791	1.0
129.10216	0.7
131.04904	1.9
133.06477	51.7
143.04971	1.1
143.05971	3.2
145.04938	4.6
147.02904	0.6
147.04379	1.1
149.05946	0.6
151.07564	0.5
159.02898	4.0
161.05965	100.0
162.06342	1.5
167.07040	0.6
170.98482	1.0
175.07239	0.6
193.08589	81.7
194.08965	1.3
202.99341	1.1
211.09653	1.2
221.00443	0.8
221.07835	0.9
230.06581	1.5
230.98804	0.7
231.04927	1.3
243.99741	0.9
246.98286	0.8
248.07629	1.8
258.98254	1.0
266.08710	0.7
285.03653	0.9
297.03412	1.0
315.04504	2.6
315.31604	0.5
332.04968	1.5
333.05493	2.1
366.99420	0.5
370.24298	1.5
375.06662	0.6
382.19431	0.6
404.85605	0.6
425.60266	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3419
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
55.05510	25.7
57.03424	9.6
57.07075	18.9
58.89197	2.5
60.55532	3.3
61.37002	2.5
62.36723	2.6
64.39269	2.6
67.05504	23.8
69.03426	6.3
69.07070	25.7
71.05003	3.7
71.08648	14.0
71.59105	4.4
79.05493	15.1
81.07053	30.2
83.08630	22.8
85.06546	6.1
85.10183	12.2
91.05470	11.0
93.07049	25.3
95.04974	5.9
95.08600	44.4
96.42744	2.5
97.06538	3.1
97.10168	28.0
98.98499	5.7
100.36255	2.6
105.07050	14.6
106.07989	2.7
107.08608	17.4
109.06505	20.8
109.10155	24.7
111.08094	3.3
111.11720	4.6
118.31859	3.0
119.08553	16.8
120.96639	23.6
121.06504	11.9
121.10153	11.1
123.08050	11.3
123.11677	7.6
127.07525	5.8
131.08533	5.3
133.10130	11.9
135.08052	7.1
135.11685	6.1
137.05966	3.8
137.09627	5.6
139.07599	2.9
143.08580	5.1
145.10118	6.6
147.08040	4.6
147.11685	5.3
149.13301	4.8
151.07570	13.3
151.14790	26.3
151.64124	2.7
153.09119	2.9
153.61412	3.5
155.08609	2.8
157.10118	5.9
159.11710	4.4
161.09534	5.2
161.13359	4.4
164.00865	20.8
169.08618	25.3
169.09833	3.9
174.98668	3.6
175.14818	26.5
189.09163	3.5
193.15875	28.0
195.00310	3.5
199.14948	3.5
201.12845	6.1
229.15857	3.5
235.16904	20.0
245.15413	7.1
247.17004	5.9
257.01239	3.0
263.16443	55.0
265.17941	38.4
313.21439	3.7
313.27255	17.8
335.25824	8.3
357.23410	2.8
363.27155	3.0
393.31805	3.7
429.33694	7.0
433.23270	21.8
439.32077	10.9
457.33240	21.8
475.34094	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3419
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
53.03934	4.3
55.05514	31.0
57.03410	4.8
57.07064	7.3
60.61843	3.0
65.03950	3.5
67.05511	21.2
69.03408	4.6
69.07065	47.2
70.06579	6.3
70.85267	6.4
71.08611	7.5
72.08153	3.2
79.05492	15.1
81.07060	44.6
81.83997	3.2
83.04956	3.6
83.08620	28.3
86.09715	3.6
91.05486	21.3
93.07042	30.4
95.04958	7.0
95.08611	34.7
97.02951	3.8
97.06519	8.2
97.10170	16.4
102.90085	3.2
105.07034	19.3
107.04934	13.0
107.08599	19.3
109.06531	9.2
109.10157	38.1
111.08068	6.8
111.11741	4.1
117.06996	6.4
119.08568	18.0
121.06496	19.2
121.10155	11.1
123.08029	5.7
123.11713	9.8
131.08563	16.0
133.06503	6.8
133.10168	6.9
135.08057	24.7
135.11652	9.2
137.09601	9.0
137.13252	14.1
142.07762	3.9
143.08568	12.4
144.55406	3.6
145.10144	11.3
147.08015	14.7
147.11682	8.3
149.02480	3.2
149.13342	3.6
151.14833	4.1
155.08540	5.7
157.06445	4.4
157.10095	11.4
159.08058	25.1
159.11624	6.9
161.05983	3.5
161.09627	10.8
165.16447	9.1
169.10046	7.0
171.08023	4.7
171.11670	6.2
173.09631	13.2
173.13298	7.2
175.11221	6.6
175.14832	5.2
177.09100	3.9
177.12527	3.1
181.10088	4.7
183.08034	6.5
183.11716	5.0
184.07310	5.1
185.09605	5.5
187.11159	12.4
187.14870	5.7
189.08987	4.1
193.12224	3.5
193.15869	8.5
195.11621	6.6
197.13213	7.3
199.11128	11.2
199.14825	4.3
201.12775	27.1
207.11707	6.8
209.13402	5.4
211.11259	4.1
213.12651	4.5
215.14314	13.7
221.13277	4.1
225.12823	7.4
227.14284	6.5
229.15880	3.6
232.85068	4.3
233.15364	10.1
237.16354	3.6
245.15361	5.9
247.16916	27.3
249.16350	5.1
255.13870	13.2
259.17059	4.6
269.19110	5.3
273.14862	34.4
277.64853	3.4
283.17056	4.2
285.15363	3.5
285.18530	7.0
289.12738	3.8
295.20346	4.3
299.20105	3.7
301.17984	12.0
311.20047	8.6
313.21646	8.2
325.21533	4.8
327.19373	5.5
327.22989	5.7
329.21118	9.6
337.21567	10.6
341.21017	9.5
355.22540	15.7
403.29880	4.7
411.32382	4.2
421.31006	21.3
439.32104	100.0
439.38177	5.9
440.32721	3.9
457.33215	76.6
475.25342	8.5
475.33853	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.7
55.01871	2.9
55.05522	11.0
57.03437	24.4
57.07078	48.0
58.16625	2.2
61.02930	70.5
67.05512	26.3
69.03438	29.0
69.07072	13.4
71.01344	4.7
71.05015	3.6
71.08633	42.9
71.43748	4.6
73.02919	33.4
74.55282	1.9
74.61923	2.2
75.36997	2.5
79.05498	3.2
81.03423	20.7
81.07056	29.3
81.11980	2.3
83.04998	3.6
83.08617	23.9
83.75544	2.1
85.02910	58.2
85.10191	19.9
87.04485	5.7
89.06056	2.6
91.03960	45.6
91.05510	2.3
93.07078	11.6
93.07553	2.0
95.08607	37.7
97.02898	62.4
97.10178	13.7
99.04463	9.7
101.02366	12.9
103.03962	11.1
105.07023	3.7
106.50116	2.3
107.08570	4.0
109.02885	14.6
109.06533	2.1
109.10170	19.1
111.11722	3.8
111.30901	2.2
111.73506	2.4
115.03925	8.4
117.05482	4.2
123.11720	9.6
127.03937	25.2
129.05426	2.3
137.13222	4.6
145.04932	6.3
155.00986	2.1
159.08003	2.5
181.94479	2.5
183.06499	7.9
201.07535	5.2
221.22612	2.3
239.23737	27.6
247.33333	2.5
257.24683	7.9
299.90790	2.1
313.27365	100.0
314.27734	4.8
326.54898	2.6
335.25705	6.4
341.27060	4.0
439.31992	5.4
457.31927	6.3
475.32816	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.5
53.03942	9.3
55.01864	5.5
55.05508	29.0
55.09664	1.2
57.03432	7.0
57.07063	4.2
58.34320	1.2
59.52564	1.1
65.03946	5.9
67.05500	100.0
69.03438	3.1
69.07063	30.2
71.01337	1.2
71.04983	5.8
71.08601	1.6
73.06567	1.2
77.03954	1.4
77.75658	1.5
79.05488	94.6
80.05811	2.2
81.03418	11.2
81.07050	96.0
82.07401	1.7
83.04974	16.6
83.08610	18.2
85.02911	1.2
85.06556	4.2
86.03494	1.2
89.06054	2.3
91.05474	67.3
93.07037	93.0
95.04965	30.0
95.08598	38.6
97.06528	14.0
97.10166	7.0
98.20735	2.3
99.08091	3.2
103.05463	2.2
105.04506	2.0
105.07025	43.5
107.04951	7.2
107.08588	38.2
107.09282	2.5
109.06530	8.1
109.10151	7.2
111.08096	5.7
111.11754	1.2
113.05994	1.6
115.05497	2.9
117.07006	16.9
119.08576	24.2
121.06535	4.4
121.10142	18.9
123.08076	6.4
128.06209	3.0
129.07010	15.7
131.08557	15.0
133.10121	14.8
135.08060	1.9
135.11673	9.2
139.07648	1.5
142.07797	1.3
143.08572	9.2
145.10121	9.3
147.08072	2.6
147.11670	31.2
147.12756	2.1
149.09639	2.1
149.13251	29.5
151.11195	2.1
157.10181	2.3
159.11664	13.1
161.09660	4.0
161.13245	10.2
163.11185	1.9
171.11673	23.1
172.12050	1.5
173.09721	1.2
176.08118	1.3
177.12776	4.7
179.14316	1.5
183.11665	1.8
189.12714	8.8
191.10571	1.5
195.13786	8.4
207.13786	27.9
213.14932	1.8
225.14653	6.1
225.19458	1.2
251.16472	1.7
269.17389	1.3
277.00671	1.8
281.17563	2.1
299.69077	1.4
365.24857	1.7
383.26270	1.9
401.27008	1.8
405.16269	2.0
406.16626	4.8
411.88028	1.3
424.17371	1.9
457.29593	4.1
475.30936	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.9
55.01862	2.1
55.05519	10.8
57.03440	32.1
57.07079	60.0
61.02929	49.9
64.53207	1.5
66.03773	1.6
67.05504	25.5
69.03430	39.2
69.07072	14.8
69.37020	3.6
69.37414	16.6
71.01358	4.0
71.04993	11.7
71.08635	41.5
73.02924	22.9
75.04485	3.2
75.05811	1.8
79.05486	5.5
81.03421	42.1
81.07058	25.2
83.04989	2.5
83.08621	23.5
85.02907	63.7
85.10187	22.7
87.04472	31.7
91.03957	30.9
91.05485	2.1
93.07060	2.5
95.04951	3.7
95.08611	43.5
97.02895	50.7
97.10182	12.5
98.98477	9.0
99.04446	17.4
101.02386	6.8
103.03961	17.2
107.08551	3.4
109.02885	29.2
109.10164	18.9
111.11671	2.0
115.03938	5.4
117.05516	4.7
119.08586	2.4
119.81409	2.0
121.06511	67.5
123.08056	1.8
123.11720	9.0
125.13212	1.9
127.03915	37.1
127.04808	2.6
129.05443	5.9
136.99985	6.2
137.13272	3.0
145.04979	12.4
145.05951	2.4
151.14760	2.6
155.01021	6.8
159.06580	2.3
163.07571	1.9
165.16408	2.9
183.06525	7.3
201.07545	7.8
207.10181	25.2
232.15186	1.8
239.23717	37.4
257.24722	4.1
262.60043	1.6
313.27362	100.0
314.27768	1.8
339.28876	3.6
341.26776	3.9
343.69983	1.8
344.59363	2.2
383.27945	20.8
457.31775	4.2
475.32986	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.9
53.37994	0.8
55.05500	3.3
56.05037	8.6
57.03413	1.0
57.05801	1.0
57.99674	0.9
58.06602	1.5
58.99565	1.2
60.04519	4.4
60.08166	1.1
61.62669	0.9
67.05515	1.2
68.05023	2.0
69.03437	1.2
69.07069	8.9
70.02937	1.2
70.06591	46.8
71.06918	2.2
71.58370	1.5
72.08154	19.6
74.06080	33.5
79.05513	2.5
81.03397	1.2
82.06585	1.3
83.06119	1.3
83.35917	0.9
84.04495	14.5
84.08139	25.3
85.02914	1.9
85.08469	1.2
86.06059	4.4
86.09702	100.0
87.05619	1.3
87.10032	3.7
88.03984	2.0
91.05479	2.3
93.07062	0.9
95.04977	1.5
97.02877	1.3
98.06077	1.1
98.97562	1.3
101.07128	2.9
101.10830	1.3
102.05549	4.4
103.05462	1.3
104.10740	7.3
105.07032	2.2
105.11056	2.3
107.04958	12.5
108.05277	3.0
110.06009	1.8
110.07163	5.9
112.11271	1.6
113.07184	1.1
114.05530	4.1
115.08682	1.8
116.07027	1.6
120.08102	8.7
123.04448	1.9
124.99988	2.7
127.08656	1.7
129.06635	1.1
129.10243	17.2
130.05025	4.3
130.06564	1.2
132.06558	3.7
133.06488	3.6
136.07565	4.1
137.06032	1.1
141.10233	1.4
141.13870	1.5
142.12323	1.5
143.11786	1.6
145.06508	1.1
147.07655	1.1
147.11328	1.3
148.06010	4.8
153.10167	1.5
155.08168	3.8
169.09787	1.9
169.13310	1.5
171.11258	2.3
178.07098	1.2
179.04813	1.2
183.11353	1.8
184.07336	6.9
185.07709	2.5
187.10808	2.8
187.14421	11.1
197.09203	7.9
197.12837	1.6
201.12294	2.4
203.19344	1.0
215.10306	11.5
215.13858	5.2
226.11766	0.9
226.15506	1.6
243.13454	2.3
245.07272	0.9
261.14438	7.8
282.18109	8.5
300.15302	0.9
300.19174	3.8
310.17566	7.1
311.28882	1.0
328.18622	2.0
341.43201	0.9
351.12094	1.3
352.12051	1.5
362.19083	1.3
366.79538	1.0
369.14841	2.1
424.40378	1.1
424.74728	2.0
457.23395	1.8
475.25394	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	475.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02997	0.7
55.05511	1.8
57.07072	30.4
67.05502	6.0
69.07064	26.2
70.04073	100.0
71.59456	0.4
79.05482	4.9
81.03381	0.5
81.07050	4.1
82.04066	2.2
83.02461	0.9
83.04964	0.6
83.08601	0.6
87.04480	0.5
91.05466	4.2
93.07038	4.4
95.04968	1.5
95.08617	1.6
97.05896	0.4
97.06470	1.9
97.10155	0.4
100.05099	2.0
105.06997	3.2
107.08559	2.1
109.10139	0.6
110.03519	51.5
112.00792	0.6
117.07026	1.3
119.08590	1.0
121.10170	1.0
123.08063	0.5
124.13754	0.4
124.14667	0.3
128.06270	0.4
129.06960	0.6
131.08571	0.9
133.10156	0.7
135.11711	0.4
138.10229	1.5
138.99495	0.5
143.08562	0.6
145.06467	1.5
145.10120	0.4
147.11678	1.3
149.13260	1.6
154.01747	0.8
154.98930	9.3
157.00459	1.0
159.08006	0.8
159.11652	0.9
160.08792	0.8
161.13258	0.6
167.99719	4.7
169.00452	0.8
171.02065	0.7
171.11719	1.0
178.09918	0.5
181.00461	1.0
182.01218	1.6
184.10730	1.1
187.07573	0.6
189.12653	0.5
194.98439	14.0
207.11977	0.4
207.13802	1.6
208.02745	0.5
215.80876	0.4
223.05190	19.1
235.13031	7.9
251.04726	1.9
251.07066	0.4
253.06264	18.0
264.17017	0.5
267.07803	10.6
281.05756	0.7
309.12482	26.8
310.12671	0.5
337.11877	1.2
350.08868	1.3
406.15222	14.6
475.18811	4.0
475.30637	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	474.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	2.4
56.05028	3.8
57.03431	0.8
58.99593	0.7
60.04512	2.9
60.08154	1.1
61.02929	1.0
67.05500	3.8
68.05015	1.9
69.03419	1.8
69.07055	1.9
69.29940	2.7
69.30361	4.0
70.02955	0.9
70.06590	25.4
71.04990	1.7
71.06905	1.1
72.08156	12.1
74.06076	2.1
76.02224	2.4
79.05492	1.8
81.03422	1.2
81.04535	1.3
81.07045	4.5
82.05315	0.9
83.05629	1.0
83.06100	14.6
83.08607	1.2
84.04501	5.8
84.08141	9.9
85.02893	1.8
86.06053	1.5
86.09702	16.8
87.05600	1.6
88.03996	1.6
91.05470	2.3
93.04521	10.6
93.07059	3.0
95.05000	1.1
95.06085	16.1
95.08608	1.5
97.06547	1.1
97.07666	0.9
98.06039	0.7
98.44745	0.6
101.07154	1.1
102.05528	1.9
103.05492	0.8
105.07046	1.5
107.04971	4.4
107.06067	3.5
107.08612	1.8
108.08088	1.0
110.07162	100.0
111.05580	3.4
112.08759	3.1
113.07169	0.9
115.08698	1.3
116.07101	1.8
116.66286	0.6
119.04955	0.6
119.06090	1.2
120.05621	1.3
120.06750	0.7
120.08088	4.9
121.04053	0.8
121.07615	2.5
121.08447	1.2
122.07153	0.8
127.03317	1.0
129.10242	5.9
130.04997	1.6
130.06447	0.6
131.04961	0.6
131.06027	0.8
132.10185	0.7
133.06503	1.3
133.10019	0.9
135.11667	0.7
136.07570	2.3
136.08736	2.6
149.13255	1.1
153.10158	0.8
156.07684	13.0
156.08914	0.9
159.09219	0.8
162.02205	0.9
166.06145	2.4
169.04295	0.7
173.12857	1.1
177.10225	0.7
179.04869	1.7
184.07307	1.3
187.10837	0.9
194.12840	0.7
198.05974	0.7
201.12341	0.7
213.12358	1.2
259.17978	7.7
277.19107	3.6
286.19342	0.7
290.68958	0.7
304.20349	1.9
308.09106	1.2
317.12894	0.7
322.21194	1.7
333.21823	2.0
335.14145	0.9
345.13177	0.9
351.22766	12.3
378.23990	1.7
379.22302	1.8
396.24948	4.8
406.23410	0.9
424.24472	8.2
428.27637	3.0
430.23807	3.1
442.25488	12.4
456.27234	7.0
457.26752	0.8
474.28195	67.2
475.28571	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	474.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	2.4
56.05028	3.8
57.03431	0.8
58.99593	0.7
60.04512	2.9
60.08154	1.1
61.02929	1.0
67.05500	3.8
68.05015	1.9
69.03419	1.8
69.07055	1.9
69.29940	2.7
69.30361	4.0
70.02955	0.9
70.06590	25.4
71.04990	1.7
71.06905	1.1
72.08156	12.1
74.06076	2.1
76.02224	2.4
79.05492	1.8
81.03422	1.2
81.04535	1.3
81.07045	4.5
82.05315	0.9
83.05629	1.0
83.06100	14.6
83.08607	1.2
84.04501	5.8
84.08141	9.9
85.02893	1.8
86.06053	1.5
86.09702	16.8
87.05600	1.6
88.03996	1.6
91.05470	2.3
93.04521	10.6
93.07059	3.0
95.05000	1.1
95.06085	16.1
95.08608	1.5
97.06547	1.1
97.07666	0.9
98.06039	0.7
98.44745	0.6
101.07154	1.1
102.05528	1.9
103.05492	0.8
105.07046	1.5
107.04971	4.4
107.06067	3.5
107.08612	1.8
108.08088	1.0
110.07162	100.0
111.05580	3.4
112.08759	3.1
113.07169	0.9
115.08698	1.3
116.07101	1.8
116.66286	0.6
119.04955	0.6
119.06090	1.2
120.05621	1.3
120.06750	0.7
120.08088	4.9
121.04053	0.8
121.07615	2.5
121.08447	1.2
122.07153	0.8
127.03317	1.0
129.10242	5.9
130.04997	1.6
130.06447	0.6
131.04961	0.6
131.06027	0.8
132.10185	0.7
133.06503	1.3
133.10019	0.9
135.11667	0.7
136.07570	2.3
136.08736	2.6
149.13255	1.1
153.10158	0.8
156.07684	13.0
156.08914	0.9
159.09219	0.8
162.02205	0.9
166.06145	2.4
169.04295	0.7
173.12857	1.1
177.10225	0.7
179.04869	1.7
184.07307	1.3
187.10837	0.9
194.12840	0.7
198.05974	0.7
201.12341	0.7
213.12358	1.2
259.17978	7.7
277.19107	3.6
286.19342	0.7
290.68958	0.7
304.20349	1.9
308.09106	1.2
317.12894	0.7
322.21194	1.7
333.21823	2.0
335.14145	0.9
345.13177	0.9
351.22766	12.3
378.23990	1.7
379.22302	1.8
396.24948	4.8
406.23410	0.9
424.24472	8.2
428.27637	3.0
430.23807	3.1
442.25488	12.4
456.27234	7.0
457.26752	0.8
474.28195	67.2
475.28571	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	474.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.0
55.01876	3.8
55.05518	21.8
57.03429	13.1
58.41386	3.2
59.19695	2.9
61.17211	3.0
62.06101	3.3
67.05508	54.9
69.07071	22.7
70.13458	4.5
70.13853	9.7
71.04993	3.4
71.07393	5.4
79.05494	34.2
81.07057	42.3
83.08625	11.8
84.08173	3.0
85.02881	4.7
86.09714	17.2
91.05484	45.1
93.07037	38.6
94.07358	4.0
95.04979	7.1
95.08605	34.8
96.08981	3.9
97.02869	4.5
97.06545	4.2
97.10171	5.4
98.98506	5.6
105.07037	28.6
107.08614	20.2
108.47444	3.0
109.06513	3.0
109.10155	13.5
110.10516	3.2
111.08080	3.8
117.07038	6.9
117.95703	3.1
119.08565	22.7
121.06487	3.1
121.10157	13.4
123.11675	6.9
125.00023	6.0
131.08568	13.3
133.10144	9.7
135.11711	4.9
143.08578	5.7
145.10164	5.8
147.11674	5.3
153.12537	3.2
157.10146	8.4
159.11687	6.5
161.13235	15.5
163.01556	6.1
169.10155	3.0
171.11705	7.2
175.11313	3.9
175.14874	3.7
182.71916	3.3
185.13266	4.1
224.32936	3.4
277.19498	5.7
300.22644	3.0
310.83514	3.3
316.28970	2.9
333.24274	100.0
334.24463	4.7
347.85147	3.5
415.22668	3.9
438.31042	6.8
456.31894	8.8
474.28824	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.6
53.03943	2.0
55.01854	1.3
55.05264	0.7
55.05506	9.3
56.24230	0.4
57.03185	0.6
57.03436	7.4
57.07059	1.4
61.02910	0.8
62.06068	1.2
65.03923	1.0
67.05498	20.7
69.03400	0.4
69.06722	0.6
69.07065	8.5
71.04969	1.0
71.60085	0.4
71.60468	0.5
72.97339	0.3
73.02896	0.6
79.05485	27.9
80.05823	0.8
81.03400	2.6
81.07047	19.5
82.03726	0.6
83.04957	1.5
83.08609	4.0
85.02885	0.7
85.06527	0.6
87.04430	0.5
91.05471	24.8
92.05776	0.6
93.07035	30.5
94.07336	0.7
95.04965	5.6
95.08595	12.8
97.02877	0.5
97.06512	1.5
97.10137	1.5
98.06037	0.7
98.98437	0.9
99.08074	0.4
103.05449	1.0
105.07019	25.4
107.04944	2.2
107.08580	13.2
108.08873	0.5
109.06501	1.6
109.10144	4.6
115.05432	0.4
117.06999	6.2
119.08572	14.6
120.08094	0.4
121.06489	1.2
121.10121	7.6
123.08064	0.8
123.11687	1.2
124.01590	0.7
128.06207	0.7
129.05508	1.7
129.07011	3.4
130.07686	0.5
131.08556	8.1
133.09099	0.5
133.10121	9.9
135.08044	0.5
135.11694	4.6
137.09589	0.5
141.07050	0.4
142.07748	0.5
143.08571	2.6
145.10106	5.4
147.08031	0.3
147.11685	6.8
149.09604	1.0
149.13229	2.5
157.10109	2.3
159.11684	3.9
161.09555	0.6
161.13229	3.1
163.11165	0.6
163.14807	0.6
169.10100	0.4
171.11694	2.6
173.13242	2.5
175.11269	0.5
175.14799	1.6
177.12720	0.5
185.13254	2.0
186.09125	1.3
187.14819	0.8
189.16237	0.5
198.05174	0.4
199.14795	1.3
203.14525	0.4
212.10468	0.4
216.06305	1.2
217.19473	0.5
224.01054	0.5
231.20982	0.4
241.19470	3.0
247.16908	0.4
259.20572	4.2
277.21652	1.0
280.84735	0.4
288.17258	0.6
289.21259	0.6
297.03607	0.4
302.24814	2.3
315.23248	2.1
333.24194	100.0
334.24490	2.1
370.27481	0.8
372.54593	0.5
388.28497	0.5
456.23376	0.6
470.46909	0.4
474.31647	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	474.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36908	5.2
55.01857	6.5
55.05508	10.5
57.03430	9.8
62.06091	83.0
67.05503	48.7
69.07064	15.0
69.86807	30.0
71.05019	5.8
79.05494	43.1
81.07063	34.7
88.27805	5.0
90.24824	5.0
91.05481	63.5
93.07043	49.2
95.04964	9.0
95.08630	27.9
98.98457	26.6
105.07034	53.7
107.08596	18.0
117.07021	17.4
119.08571	32.3
121.10172	13.0
129.05431	8.8
129.06984	11.6
131.06436	5.0
131.08542	18.2
133.10123	22.6
135.11674	14.3
137.09595	5.5
142.02583	5.7
143.08493	11.6
145.10104	15.8
147.11702	10.8
149.13255	5.3
154.57890	5.4
157.10135	7.6
159.11699	10.5
161.13293	28.4
163.14810	5.3
171.11679	17.0
173.13155	6.4
175.14767	19.6
185.13225	7.0
196.11049	5.6
198.05220	8.8
215.17940	6.9
216.06325	7.2
217.19498	16.6
225.17001	5.2
231.21205	6.3
241.19525	42.5
243.21173	5.7
259.20621	50.2
302.24863	17.2
315.23239	6.6
333.24161	100.0
334.24670	6.5
413.20895	7.6
436.70474	5.9
474.26224	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	474.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.0
55.01859	3.5
55.05507	15.6
57.03428	8.3
57.07064	5.0
58.48389	2.0
62.06081	2.7
65.03891	2.1
67.05177	2.6
67.05509	28.3
69.07072	16.7
71.14268	3.9
79.05492	47.1
81.07056	38.8
83.08620	6.3
85.05278	2.3
91.05477	35.5
92.05811	2.4
93.07044	44.8
95.04961	8.0
95.08602	26.6
95.30765	1.7
97.06541	2.1
97.10101	2.9
98.06078	12.0
98.98456	3.0
105.07027	32.8
107.04932	2.7
107.08597	24.0
108.08926	4.0
109.06501	2.1
109.10169	10.1
110.09740	2.1
112.07572	2.3
117.07005	8.5
119.08583	23.0
121.10128	13.5
123.08107	2.0
123.11723	3.5
125.09681	1.8
129.06995	4.7
130.92770	1.7
131.08603	9.4
133.10162	14.3
134.05956	2.0
135.08064	6.9
135.11690	10.1
137.13312	2.5
138.09100	2.8
143.08545	6.3
145.10136	9.4
147.11676	8.6
149.13246	2.7
152.07037	2.3
157.10118	3.4
159.11699	9.0
161.13275	5.7
163.72234	2.0
170.08086	2.4
171.11667	4.2
173.13298	3.9
175.14827	2.8
185.13225	2.6
211.14862	3.0
217.19485	2.7
241.19295	3.1
259.20615	5.5
302.24789	89.8
332.47711	2.2
333.24243	100.0
334.24554	3.4
438.30585	6.3
439.32602	2.4
456.31448	7.3
474.32703	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	474.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.4
55.01864	4.3
55.05511	9.9
57.03435	13.9
57.07061	3.7
63.22368	1.6
63.88292	1.8
65.03931	2.4
67.05173	2.8
67.05503	35.3
67.99339	1.8
69.07059	7.7
69.85244	11.1
71.40108	1.8
73.02906	3.5
79.05061	2.4
79.05489	28.0
81.07059	27.4
85.06538	2.3
91.05476	38.9
93.07043	37.2
95.04948	5.0
95.08607	22.7
95.21968	1.9
98.20880	2.1
103.03936	2.6
105.07033	27.2
107.08593	14.3
108.13473	1.7
109.10142	5.0
117.07030	10.6
119.08575	17.9
121.10136	7.6
128.06221	1.8
129.05481	11.5
129.06973	11.2
131.08569	7.9
133.10114	9.6
135.11668	5.3
143.08545	5.8
145.10112	7.5
147.11710	9.2
149.13257	2.8
157.10085	6.0
159.11707	2.0
161.13281	17.3
163.14847	3.3
171.11685	10.3
173.13205	3.2
175.14824	7.9
185.13202	4.2
185.26575	1.7
196.10966	7.2
217.19472	6.1
241.19539	21.5
241.21794	2.8
243.21074	10.2
259.20554	7.3
302.24841	2.9
333.24225	100.0
334.24591	3.7
471.45197	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	474.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.5
54.84388	0.4
55.01869	0.5
57.03436	1.3
58.22780	0.4
60.38826	0.4
61.02914	0.4
66.64311	0.3
69.03429	1.4
69.07055	1.4
70.04074	100.0
75.04465	0.5
77.10343	0.4
79.05479	0.4
81.07034	0.4
85.02903	4.6
86.49077	0.4
91.36938	0.4
95.93249	0.4
97.02893	1.6
97.06525	4.0
104.23486	0.4
107.04970	0.8
115.07559	8.1
127.03951	1.1
145.04947	2.7
163.06082	0.6
184.10904	0.8
232.09297	0.7
238.02429	0.4
242.19012	0.4
268.08755	0.4
463.06546	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
65.91412	0.3
69.76976	0.3
70.06575	0.5
70.79955	0.3
71.09405	0.8
76.33009	0.4
79.05463	0.5
84.08145	0.4
86.09672	0.5
95.06083	0.7
96.04485	0.5
98.84796	0.3
104.04966	0.5
105.03406	0.6
105.05793	0.9
106.06560	0.4
111.05568	4.1
120.04457	2.9
123.05537	0.9
125.05815	0.9
126.06641	2.1
132.04456	23.5
133.05209	0.4
134.06004	4.6
137.04680	2.1
140.08188	0.4
146.02351	0.4
151.06149	10.0
158.05980	0.5
159.05577	0.5
165.07646	0.4
166.07222	0.6
177.04076	0.7
194.06720	5.3
195.07562	0.8
202.09773	2.0
206.06834	0.7
208.08406	0.4
216.11311	0.7
227.09184	0.5
230.09290	1.6
232.10733	0.5
242.09230	4.6
255.08723	0.5
257.10349	4.7
258.08600	0.6
259.11908	11.2
260.12207	0.5
284.11490	3.4
298.05453	0.3
302.12473	18.0
327.11868	2.8
345.13052	100.0
346.13257	3.0
447.28931	0.3
456.16147	1.1
474.17325	6.5
492.55008	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18536	0.2
53.03942	1.5
55.01861	1.3
55.05513	0.2
57.03437	1.5
61.02922	1.0
65.03938	0.3
68.99786	0.5
69.03423	7.5
70.04070	100.0
70.06583	0.5
70.58479	0.3
70.58830	0.9
71.04382	0.3
71.04983	0.9
72.08139	0.4
73.02922	1.7
76.55576	0.2
81.03411	8.3
85.02896	11.0
86.09709	1.1
87.00822	4.3
87.04472	0.4
91.03968	0.6
91.06350	0.2
94.04202	0.5
97.02879	3.7
99.04453	3.0
105.01861	3.0
107.04945	0.7
109.02119	0.5
109.02869	8.5
111.04432	0.8
115.03933	0.3
117.01826	1.0
126.38176	0.3
127.03901	11.7
129.01018	3.6
129.01869	0.7
137.05984	1.0
138.66158	0.3
144.64421	0.3
145.00551	0.4
145.04935	3.5
147.02890	0.9
154.98994	0.3
157.00529	0.9
159.02878	5.1
177.03932	0.3
198.79306	0.3
202.36011	0.3
211.06512	0.3
213.03891	0.4
226.03754	30.1
227.04167	0.4
231.04987	2.1
312.21750	0.7
350.82349	0.3
473.23242	0.5
474.08902	1.3
474.23438	0.8
474.27448	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01149	1.4
53.18982	1.5
55.01863	3.2
55.05477	1.5
56.05026	2.9
58.99580	15.9
69.57981	3.1
69.58392	7.9
70.06582	7.8
72.08150	3.5
76.02225	87.4
76.04006	2.3
79.05460	1.9
83.06113	2.7
84.04504	32.8
84.08137	7.1
86.06058	1.8
86.09687	7.9
86.99068	1.9
88.02230	1.8
91.05465	6.0
93.07037	3.8
95.04976	2.7
99.05579	1.9
100.02204	3.9
103.05458	6.6
107.04951	100.0
111.55644	1.6
112.03957	2.5
112.08739	2.1
116.01669	21.7
116.07110	1.6
121.06503	13.9
129.06612	2.3
129.10271	4.2
130.05013	19.9
131.04604	1.7
132.04460	1.7
132.10181	2.4
135.02631	2.3
142.03207	7.3
144.01146	12.3
147.06789	5.3
148.07570	2.0
149.05969	30.0
151.02129	15.2
162.02206	37.8
163.00766	3.5
163.02119	59.1
167.07019	2.7
170.02747	2.1
177.03265	7.8
179.04848	71.1
189.03677	6.0
190.74693	1.6
194.06416	3.2
203.04903	6.1
206.06345	12.2
215.04932	2.2
217.03159	6.9
231.04401	2.5
233.05917	19.5
245.05766	2.8
250.86343	1.5
297.09116	4.9
308.09103	50.2
309.09073	12.6
345.13336	6.9
363.10074	6.4
474.28125	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	474.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18536	0.2
53.03942	1.5
55.01861	1.3
55.05513	0.2
57.03437	1.5
61.02922	1.0
65.03938	0.3
68.99786	0.5
69.03423	7.5
70.04070	100.0
70.06583	0.5
70.58479	0.3
70.58830	0.9
71.04382	0.3
71.04983	0.9
72.08139	0.4
73.02922	1.7
76.55576	0.2
81.03411	8.3
85.02896	11.0
86.09709	1.1
87.00822	4.3
87.04472	0.4
91.03968	0.6
91.06350	0.2
94.04202	0.5
97.02879	3.7
99.04453	3.0
105.01861	3.0
107.04945	0.7
109.02119	0.5
109.02869	8.5
111.04432	0.8
115.03933	0.3
117.01826	1.0
126.38176	0.3
127.03901	11.7
129.01018	3.6
129.01869	0.7
137.05984	1.0
138.66158	0.3
144.64421	0.3
145.00551	0.4
145.04935	3.5
147.02890	0.9
154.98994	0.3
157.00529	0.9
159.02878	5.1
177.03932	0.3
198.79306	0.3
202.36011	0.3
211.06512	0.3
213.03891	0.4
226.03754	30.1
227.04167	0.4
231.04987	2.1
312.21750	0.7
350.82349	0.3
473.23242	0.5
474.08902	1.3
474.23438	0.8
474.27448	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.4
55.01873	2.3
55.05513	0.8
57.03436	2.6
61.02920	1.5
65.03941	3.5
68.99793	5.3
69.03429	14.0
70.04074	81.6
70.06584	0.9
70.12456	2.9
71.04978	1.5
72.08127	0.8
73.02921	2.6
81.03418	14.9
82.08558	0.6
83.05000	1.4
84.08130	0.8
85.02900	20.3
87.00816	7.1
87.04458	1.1
88.97955	0.8
93.03409	1.5
97.02896	7.4
99.00004	4.9
99.04425	3.5
101.01566	2.2
101.02298	0.6
103.03946	0.9
105.01866	3.0
107.04934	5.0
108.05269	1.6
109.02874	14.5
110.07195	0.9
111.04424	2.4
117.01891	0.9
121.02876	1.1
127.02950	0.9
127.03913	18.3
129.01021	10.2
129.01869	1.0
139.03925	1.3
145.00519	3.1
145.04971	4.5
154.99989	3.2
157.00513	53.7
157.04869	1.1
159.02895	5.2
170.98473	0.9
175.01534	3.4
175.07558	0.7
176.07901	0.8
181.00517	0.6
213.03999	1.1
226.03772	100.0
227.04195	1.3
231.05055	2.7
250.09541	0.9
286.90088	0.7
294.11923	1.1
322.21381	0.7
368.21985	1.4
384.22455	0.6
387.53308	0.6
473.23160	1.1
474.09189	1.5
474.23853	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	473.3262
Annotation	Kuguacin Q
Peak:m/z	Relative Intensity
50.08094	3.8
53.98419	3.3
54.32320	3.1
55.01855	4.4
55.05506	28.6
57.07069	14.8
59.04996	7.0
67.05496	18.9
69.03401	5.0
69.07075	21.6
70.06605	4.1
70.84540	9.5
71.08623	5.9
75.42214	3.2
79.05502	21.6
81.07053	58.2
83.08601	11.8
85.10171	6.5
91.05475	14.5
93.07055	29.2
95.04990	5.1
95.08604	57.7
97.06545	4.2
97.10164	13.6
98.98412	4.3
105.07059	17.6
105.07649	4.7
107.08570	24.6
109.06526	5.0
109.10165	26.8
111.08134	4.5
117.85262	3.3
119.08595	16.3
121.06510	10.3
121.10143	12.1
123.08079	5.5
123.11681	6.7
128.06271	4.5
129.06990	3.8
131.08563	10.1
133.10133	11.1
135.08057	18.2
137.13271	27.2
141.07008	4.3
143.08554	6.0
145.10158	10.8
147.08044	7.9
149.02393	6.5
149.13228	7.8
151.14752	5.2
155.08557	4.4
157.10136	5.4
159.08089	24.6
159.11664	7.8
161.09608	12.0
163.07477	4.6
165.16515	4.4
169.10196	6.4
171.08131	6.5
171.11742	3.9
173.09676	7.2
173.13274	8.6
175.14806	5.8
177.09055	5.6
181.10156	7.0
185.09601	5.8
187.07587	12.7
187.11136	5.4
189.09088	8.5
191.06938	5.6
195.11714	6.9
199.11119	5.4
201.12802	10.5
201.16437	3.7
203.10641	4.8
205.08594	6.7
209.13274	5.0
211.11098	6.3
215.14383	7.3
233.15424	4.2
237.16405	14.9
238.16754	3.8
255.13852	6.3
259.16882	5.6
273.14877	20.1
273.17963	5.4
281.15393	12.6
281.71417	4.6
283.16995	4.3
299.16476	20.5
301.17984	33.2
317.17441	100.0
318.18259	6.2
327.19391	4.4
353.20889	4.8
409.30847	5.9
419.29425	11.4
437.30524	37.2
455.31497	38.2
456.31931	5.3
473.13779	5.1
473.32574	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	473.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.8
55.05512	38.4
57.03435	9.5
57.07068	8.4
59.05005	4.2
65.03944	10.0
67.05511	20.5
69.03427	2.8
69.07072	44.6
70.06591	6.2
70.07352	2.5
71.05000	4.2
71.08623	4.4
71.59499	4.7
72.08176	3.0
79.05493	25.3
81.03439	3.6
81.07052	51.2
83.08610	24.0
84.08132	4.7
84.72165	2.2
85.06555	4.1
85.38522	2.3
86.09718	9.0
91.05479	31.2
92.05817	2.8
93.07042	47.0
95.04981	10.5
95.08607	39.2
96.08913	2.7
97.06540	9.3
97.10186	9.7
98.98489	7.9
99.08092	3.2
105.07036	29.0
107.04966	12.5
107.08588	28.7
108.08922	3.4
109.06530	10.3
109.10153	29.0
109.87651	2.5
111.08073	4.9
115.05453	3.7
117.07047	15.1
119.04996	4.0
119.08590	22.4
121.02856	4.1
121.06489	14.9
121.10130	17.0
123.08072	6.5
123.11700	7.6
125.09596	3.9
127.11177	4.5
128.06293	2.9
129.07007	9.7
131.08565	16.3
133.06490	8.8
133.10158	13.8
135.08086	13.7
135.11688	10.5
137.05901	3.0
137.13246	14.9
139.03926	4.8
141.06990	4.2
143.08549	13.3
145.06473	5.7
145.10124	18.3
146.10477	4.1
147.04411	3.5
147.08047	15.5
147.11690	9.2
149.02353	68.7
149.03444	7.0
149.05991	4.2
149.09650	5.8
149.13290	3.3
151.14832	4.1
153.09149	4.9
155.08566	10.7
157.06534	3.7
157.10129	12.7
159.08044	11.0
159.11714	13.1
161.06006	3.3
161.09627	10.3
161.13278	3.3
163.07515	4.4
163.11142	3.0
169.10127	5.7
171.08034	4.7
171.11700	8.6
173.09608	9.4
173.13261	9.1
175.07585	7.8
175.11200	4.7
175.14781	5.2
179.08656	3.6
181.10153	5.7
183.08109	3.7
183.11667	5.7
184.07355	4.6
185.09653	6.3
185.13300	3.4
187.07521	4.4
187.11214	7.1
187.14835	3.8
189.09135	6.1
189.12715	3.6
191.14442	3.8
193.04980	19.7
193.10187	3.6
193.15933	2.6
195.08075	2.6
195.11739	6.3
199.11179	6.6
199.14859	5.0
201.09038	4.9
201.12788	9.9
209.13330	7.2
210.10345	2.7
211.11224	3.4
211.14728	3.2
213.12749	6.8
215.14296	3.9
217.16005	3.5
221.13278	3.2
223.11296	4.5
223.14792	2.8
225.12732	5.6
227.14417	4.4
229.15829	3.4
233.15443	5.0
237.16399	4.5
239.14293	6.0
240.18346	3.3
243.13828	4.9
245.15508	4.1
247.17004	3.2
249.16508	3.4
253.15878	3.6
255.13748	3.4
259.13263	4.3
259.17050	3.5
271.17001	4.6
273.14847	4.6
273.18457	5.0
275.16458	7.1
281.15619	4.1
287.16531	5.4
299.16461	11.4
299.19577	2.7
301.18048	10.3
301.21307	3.6
309.18317	3.7
311.20078	3.8
313.18164	4.8
313.21689	4.5
317.17606	9.3
325.17947	4.4
325.21338	3.8
327.19250	3.1
329.21072	4.3
331.22607	4.6
332.22931	17.8
337.21625	3.3
347.22101	7.3
353.20831	4.6
371.22003	4.8
395.29568	2.9
403.10269	10.6
419.29468	5.4
425.30530	100.0
426.30865	4.3
427.31976	4.2
429.11914	14.9
437.30502	19.0
443.31500	13.3
455.31677	51.4
473.14340	31.7
473.25128	13.3
473.32562	36.3
474.14435	8.0
474.32962	2.8
476.27383	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	473.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.5
53.03936	8.3
55.01876	5.0
55.05258	1.6
55.05504	21.0
57.03417	3.9
57.07058	1.8
65.03919	2.6
67.05495	50.7
69.03423	2.7
69.07059	14.2
71.04974	3.2
71.11626	1.5
71.11952	1.8
73.02886	1.0
76.10754	0.9
77.03916	1.8
77.63927	1.0
79.05484	64.9
81.03407	100.0
81.07045	40.5
83.04970	10.4
83.08139	1.4
83.08614	20.6
85.02917	1.9
85.06532	2.1
86.47578	0.9
87.04442	1.3
91.05470	65.6
93.07030	47.1
95.04957	42.0
95.08595	22.5
97.02876	3.4
97.06529	4.1
97.10125	5.1
103.05450	2.5
105.07021	40.3
105.07539	0.6
107.04942	11.8
107.08577	15.3
109.06492	7.4
109.10136	5.9
111.04430	1.4
111.08056	8.1
115.05441	3.5
117.06998	11.7
119.08566	26.9
121.02792	2.3
121.06510	5.2
121.10125	8.6
123.08070	4.5
123.11688	1.7
125.09617	2.5
128.06213	4.2
129.06984	21.8
131.08542	11.9
133.06465	3.9
133.10109	10.6
135.11678	2.2
137.09564	1.6
141.07002	1.4
142.07753	2.7
143.08540	10.1
145.06456	3.7
145.10091	10.1
147.08031	4.5
147.11681	30.1
149.09637	4.9
151.11176	1.2
155.08551	1.6
156.09319	1.2
157.06511	1.2
157.10121	8.7
159.08058	2.2
159.11656	1.6
160.97342	1.2
161.09607	4.0
161.13240	10.0
163.11205	2.0
165.12799	1.3
169.06445	1.2
169.10135	1.6
171.08035	1.4
171.11659	19.7
172.11871	1.1
175.11186	8.2
189.11182	2.1
189.12747	6.7
189.16434	1.3
193.12222	27.2
198.89262	1.0
207.13760	19.6
225.14763	1.9
229.15863	1.7
239.63768	1.0
249.14859	4.6
335.32254	1.1
363.22733	1.4
381.24246	3.6
399.25623	2.0
455.27930	1.2
473.28931	65.9
474.29343	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33179	0.9
50.62699	1.1
51.67678	1.1
53.03941	1.3
55.05514	15.8
56.96564	6.0
57.03438	52.4
57.07076	6.1
61.02932	1.2
62.36257	1.1
65.03931	1.8
67.05505	56.9
68.05827	1.1
68.60647	1.2
69.03415	1.3
69.07063	17.2
69.96797	2.9
69.97189	2.1
71.04993	1.4
71.08624	2.3
72.80945	1.2
79.05492	15.8
81.07056	57.7
83.04955	2.3
83.08619	12.7
91.05484	12.5
93.07043	20.2
93.62048	1.0
94.60764	1.2
95.04943	4.0
95.08607	45.4
97.06508	2.6
97.10172	6.1
98.20876	1.1
98.98466	100.0
99.08095	1.4
102.92616	1.2
105.07007	7.8
107.08598	12.0
109.10155	16.1
111.08064	1.8
116.99536	5.9
119.08585	8.1
121.10134	8.9
123.08092	1.1
123.11681	6.9
131.08548	2.7
133.10150	7.2
135.11685	5.6
136.93077	2.7
136.99992	65.0
137.13246	4.2
140.01016	1.9
143.08507	1.4
146.99667	1.2
147.11671	4.7
149.13249	3.8
154.94141	11.7
155.01042	83.4
157.10107	1.4
161.13255	2.7
163.14824	3.1
172.95236	41.1
173.02045	1.2
175.14824	3.2
177.50850	1.1
177.95734	1.0
178.02568	2.5
185.13261	1.0
186.96669	1.4
189.16335	1.7
190.96280	37.5
192.95743	1.3
193.02628	11.6
195.96863	5.4
210.96768	5.3
211.03671	28.3
213.97874	3.3
228.97864	17.6
245.22681	4.8
246.98863	2.8
251.99684	2.5
257.10507	1.6
263.23746	6.0
265.04880	1.5
311.25778	1.9
319.19467	7.8
319.26254	1.6
337.20654	20.0
337.27332	38.4
360.22015	2.3
437.30835	1.9
455.18726	8.8
455.31445	3.3
473.19623	50.5
473.26538	41.9
473.33228	4.4
474.19986	3.9
474.26895	2.3
496.21262	4.0
497.21249	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	20.6
57.03437	5.4
57.07067	5.8
58.62080	3.2
59.28476	2.7
67.05501	10.0
69.07067	24.5
69.37592	2.8
69.57573	2.9
70.12727	4.0
70.13130	12.3
71.08641	3.3
74.26222	3.3
81.07050	14.3
83.08636	16.4
85.10194	3.5
93.07036	10.6
94.78111	3.0
95.08611	13.3
97.06559	3.6
97.10190	6.8
107.08593	6.4
109.10159	6.0
121.10209	4.8
134.98189	100.0
137.05974	3.8
149.13240	3.2
152.99287	4.3
176.00772	3.7
176.15865	3.0
199.75349	3.5
201.50552	3.0
339.28998	50.9
361.27264	5.7
454.27661	3.3
473.20123	2.3
473.26355	62.8
473.34012	17.9
474.26706	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2357
Annotation	Tyr Lys Tyr
Peak:m/z	Relative Intensity
55.05509	0.5
60.43138	0.4
61.76305	0.4
67.05494	0.6
70.04063	1.7
70.06589	1.1
70.25226	0.6
70.25623	1.2
72.08138	0.5
79.05491	1.3
81.07034	0.9
84.04507	0.6
84.08134	0.7
84.93266	0.4
84.93795	0.5
86.09683	0.7
88.77019	0.4
91.05487	1.5
93.07046	0.8
95.08598	0.9
105.07027	0.5
106.91628	0.5
107.04958	2.4
117.07053	0.6
118.07371	0.4
119.08601	0.6
126.05561	0.6
133.06476	0.5
145.06396	0.5
164.01703	0.6
184.07246	0.6
255.14406	0.4
259.07898	0.5
300.26605	0.5
311.18356	0.8
325.19672	0.6
332.22925	0.7
370.11041	1.9
425.02917	0.4
473.23581	100.0
474.23938	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.5
60.43138	0.4
61.76305	0.4
67.05494	0.6
70.04063	1.7
70.06589	1.1
70.25226	0.6
70.25623	1.2
72.08138	0.5
79.05491	1.3
81.07034	0.9
84.04507	0.6
84.08134	0.7
84.93266	0.4
84.93795	0.5
86.09683	0.7
88.77019	0.4
91.05487	1.5
93.07046	0.8
95.08598	0.9
105.07027	0.5
106.91628	0.5
107.04958	2.4
117.07053	0.6
118.07371	0.4
119.08601	0.6
126.05561	0.6
133.06476	0.5
145.06396	0.5
164.01703	0.6
184.07246	0.6
255.14406	0.4
259.07898	0.5
300.26605	0.5
311.18356	0.8
325.19672	0.6
332.22925	0.7
370.11041	1.9
425.02917	0.4
473.23581	100.0
474.23938	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2357
Annotation	Tyr Lys Tyr
Peak:m/z	Relative Intensity
55.05506	0.7
56.96563	0.6
67.05491	1.3
69.03451	0.5
70.04073	2.1
70.06583	1.3
71.58910	0.3
72.08147	0.9
79.05482	0.8
81.07046	1.0
83.08620	0.5
84.04499	0.6
84.08138	0.4
85.02903	0.4
86.09698	0.9
89.57401	0.3
90.32658	0.3
91.05492	1.2
93.07063	0.5
95.04942	0.4
95.08608	0.8
105.07027	1.0
107.04971	3.1
107.08589	0.7
114.06285	0.3
117.07018	0.5
118.81446	0.3
119.08536	0.8
120.08931	0.4
121.02946	0.4
126.05499	0.4
131.08585	0.4
133.06508	1.1
134.10555	0.3
145.06459	0.4
145.10074	0.6
149.13258	0.4
185.04231	0.5
189.08786	0.5
203.05370	0.5
207.17278	0.4
213.14873	0.3
225.16069	0.4
255.14519	0.5
256.33502	0.3
259.07996	0.4
273.15237	0.4
273.18430	0.4
311.18463	0.6
325.19400	0.5
327.43341	0.5
331.22696	0.4
332.22855	2.0
370.11084	1.4
473.23593	100.0
474.24094	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	473.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
53.93674	0.9
55.01869	1.6
55.05499	2.1
57.03428	2.2
57.07070	1.0
61.02924	8.1
67.05504	2.2
69.03425	10.6
69.07072	4.0
70.04082	1.7
70.06583	5.6
70.19030	3.9
71.04995	5.7
72.08158	2.1
72.90654	0.9
73.02918	1.3
79.05490	2.3
79.41424	0.8
81.03413	7.4
81.07065	5.6
83.04961	2.5
84.04496	1.3
84.08151	2.5
85.02901	19.0
86.05997	0.8
86.09704	2.4
87.00831	6.8
87.04478	1.7
91.03970	0.8
91.05483	6.7
93.07059	5.6
95.04951	2.3
95.08605	6.4
97.02909	4.9
97.06541	2.2
99.04445	2.1
105.01876	3.8
105.07015	8.0
107.04967	5.8
107.08584	4.3
109.02864	5.1
109.06504	6.2
109.10139	1.6
110.07212	2.1
111.04385	1.2
115.07532	4.1
119.08588	6.6
121.06502	2.9
121.10153	5.7
122.38919	0.8
123.08071	4.6
123.11755	1.4
123.56789	0.8
127.03930	9.8
129.10277	1.0
131.08504	1.1
133.06392	0.9
133.10129	4.1
135.08066	1.3
135.11653	1.4
136.07480	1.1
137.05954	1.5
137.09598	6.2
145.04967	1.9
145.10158	1.4
147.04369	0.9
147.08069	1.3
147.11687	12.8
149.06000	2.1
149.09592	7.0
151.07536	2.5
151.11166	8.2
156.09311	2.1
157.00568	1.3
159.02856	2.6
159.08073	1.1
159.11707	1.3
161.09592	1.6
161.13248	3.2
163.11218	1.0
165.12733	10.3
171.11693	2.4
174.10417	3.5
176.08313	0.9
177.12752	1.8
189.12749	6.6
207.11714	1.4
207.13754	8.7
225.14845	100.0
226.03738	1.9
226.15161	1.5
231.04991	2.9
257.81647	0.9
293.17081	2.0
311.18454	1.3
448.21292	0.8
467.68097	1.1
473.23886	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	473.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	6.8
59.53026	0.8
67.05495	0.9
69.07056	1.3
69.27457	5.9
71.95264	1.0
79.05503	0.9
81.07045	1.3
81.35046	0.6
83.08630	0.8
86.09718	0.6
93.07050	0.9
95.08601	1.1
98.21465	1.1
98.98419	0.6
102.92628	2.4
109.10137	0.9
122.15123	0.5
122.92257	0.6
128.98653	1.1
135.93111	0.6
136.93120	4.8
146.99638	1.4
154.94164	19.6
154.95428	1.1
172.95239	69.5
177.95827	0.9
189.04414	0.7
190.96288	57.8
192.95808	1.1
195.96861	5.8
198.96924	1.3
208.97374	1.6
210.96800	9.3
212.98308	1.0
213.97894	3.6
228.97853	28.0
230.99382	1.8
233.98395	1.3
236.93823	0.6
246.98878	6.0
250.95645	1.0
251.99501	2.7
257.10681	0.6
268.96677	0.8
309.17807	0.7
317.17941	1.0
319.19440	11.3
335.18961	2.3
337.20471	27.1
338.20953	1.2
355.21597	2.2
360.22003	4.3
399.16119	2.8
413.17831	1.1
417.17230	1.5
455.18677	17.0
455.24994	1.1
473.19781	100.0
474.20206	4.5
475.20120	0.8
496.21341	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	473.1978
Annotation	Paleatin A
Peak:m/z	Relative Intensity
55.05503	1.1
56.96301	0.7
56.96560	9.0
57.07057	0.7
63.96891	0.6
67.05497	0.9
69.07056	1.2
71.59985	0.7
71.95239	1.2
72.32365	0.6
76.59779	0.6
80.18392	0.6
81.07036	1.0
83.08591	1.9
87.22030	0.5
95.08556	0.9
96.59818	0.5
97.00365	0.6
97.10144	0.7
102.92574	3.1
105.06996	0.7
107.08566	0.8
116.98647	0.6
118.92085	0.7
121.10126	0.7
127.91191	0.6
136.93105	5.5
146.99667	1.7
154.94157	21.0
154.95424	1.0
165.00858	0.6
172.95233	83.6
184.07384	0.7
190.96280	60.3
192.95804	1.3
195.96841	7.0
198.96852	1.2
208.97348	1.2
210.96826	10.1
210.98775	1.2
212.98267	1.2
213.97826	4.4
216.97879	0.9
228.97836	32.4
230.99469	0.7
233.98322	1.6
241.84535	0.6
246.98918	6.3
251.99492	2.7
317.17786	1.3
319.19406	15.8
320.19922	0.8
332.47104	0.6
335.19138	1.7
337.20480	35.2
338.20773	2.3
355.21527	2.0
360.22098	7.3
375.21915	0.8
399.16110	3.2
413.17529	0.9
417.17087	2.5
447.57611	0.6
455.18600	17.3
456.19440	0.9
473.19745	100.0
474.20126	3.3
491.20947	0.9
496.21323	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	473.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.9
56.96563	10.1
57.03440	12.3
67.05513	17.4
69.07072	4.9
71.08636	2.4
71.95244	1.7
79.05499	4.2
81.07057	17.0
83.08631	3.4
90.90909	1.2
91.05487	4.1
93.07034	5.5
95.08598	11.6
95.26538	1.6
98.98476	23.5
102.92628	3.1
105.07023	5.1
107.08601	4.3
109.10175	5.3
116.67892	1.3
119.08563	1.8
121.06488	1.4
121.10148	3.3
125.33451	1.5
133.10121	2.0
135.11700	1.6
136.93159	4.8
136.94086	2.0
137.00005	15.7
146.99719	1.8
147.11691	1.6
154.94164	21.4
155.01054	22.7
159.05096	1.2
172.95245	79.9
190.96289	65.1
193.02643	4.5
195.96880	7.6
208.97308	1.6
210.96863	6.7
211.03738	8.0
213.97902	4.7
228.97887	27.9
246.98933	6.7
251.99567	2.8
263.23737	1.7
319.19452	11.0
319.22879	1.7
335.19189	1.7
337.20529	35.8
337.26990	10.1
355.21521	2.3
360.22086	6.8
377.94904	1.5
399.16211	1.7
455.18527	15.4
473.19894	100.0
473.26602	12.6
474.19849	3.2
496.21030	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
55.05500	0.5
56.05030	0.8
57.03424	0.4
60.04252	0.3
60.04523	0.7
60.08160	0.3
68.05019	0.4
69.03415	1.1
69.07059	0.7
70.06592	11.5
71.04987	0.3
71.06893	0.3
71.57825	0.3
71.58211	0.4
72.08157	3.0
73.02920	0.4
74.02436	0.4
74.06054	0.6
79.05491	1.2
83.06087	0.5
84.04494	3.1
84.08139	4.7
85.02905	2.8
86.09703	9.7
87.04433	0.4
87.05579	0.7
87.10030	0.4
88.03976	1.0
91.05472	0.6
93.07048	0.4
95.04977	1.5
97.02880	0.8
101.07124	0.3
102.05528	1.0
103.05457	0.6
104.10728	1.1
105.07047	0.3
107.04951	100.0
108.05296	1.6
109.02901	0.5
110.07153	2.6
112.08740	0.6
115.05027	0.3
115.08651	0.5
116.07073	0.6
118.06533	1.0
119.04914	0.3
120.08072	1.4
121.06506	0.4
124.99997	0.5
127.03925	0.3
127.08702	0.5
129.06572	0.3
129.10220	2.7
130.06525	28.2
131.04898	0.5
131.06912	0.6
132.08093	0.4
133.06288	0.6
136.07603	1.3
136.08568	0.3
141.10222	0.6
143.07294	0.4
144.08073	2.2
146.06007	5.0
147.07683	0.3
149.06007	0.5
153.70897	0.3
154.06488	0.9
155.08281	0.3
155.11775	0.7
156.07941	0.7
158.06032	0.4
159.09163	0.6
170.05984	0.9
170.38324	0.3
172.07518	0.5
175.11891	0.4
183.11316	0.3
184.07373	1.1
188.07071	9.5
196.55130	0.3
200.07037	1.9
200.13965	1.8
205.09724	5.8
206.09665	1.9
222.09126	1.6
228.13416	1.4
229.11659	0.3
233.08304	0.3
234.09137	5.9
236.10680	0.7
246.03113	0.3
246.14473	0.9
248.10754	2.8
276.10181	0.6
294.11240	9.9
311.13870	5.5
341.21622	0.3
353.09067	0.5
368.14667	0.5
427.18973	0.3
456.16580	8.5
457.16388	0.4
473.19144	2.9
473.24731	1.2
473.58331	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.05505	1.0
56.05027	1.5
59.06119	0.5
60.04511	2.2
60.05653	0.5
60.08187	0.5
66.92271	0.4
66.98363	0.5
68.05019	0.8
69.03416	1.7
69.07057	1.5
70.02950	0.8
70.06590	22.7
70.64429	1.7
71.06908	1.0
72.08150	7.1
74.06085	1.2
79.05484	1.8
81.03414	1.1
83.06102	1.3
84.04499	5.7
84.08145	10.0
85.02888	3.2
86.09705	19.9
87.05578	1.8
87.10035	0.8
88.03971	1.6
91.05456	1.1
95.04977	1.8
95.06079	1.0
97.02867	1.1
98.02360	0.5
101.07145	1.5
102.05526	1.8
103.05437	0.9
103.08710	0.6
104.10717	0.7
105.07017	0.9
107.04950	100.0
108.05263	1.4
110.07146	4.9
112.08723	1.0
115.08677	1.2
116.07078	1.3
118.06548	1.1
119.04959	0.8
120.08103	2.3
124.99988	1.0
127.08665	0.8
129.10229	5.1
130.04988	1.2
130.06520	27.8
132.08054	1.2
132.10210	0.6
133.06198	1.2
136.07564	2.0
136.08687	1.8
141.10214	1.5
143.11783	0.8
144.08102	2.6
146.06001	4.5
152.08098	0.6
154.06512	1.5
155.08176	0.7
155.11812	1.4
157.09877	0.6
158.06006	0.6
159.09149	0.8
167.08102	0.8
170.06064	0.8
175.11946	2.4
182.09235	0.9
183.11313	0.9
184.07375	1.9
188.07065	8.4
200.07010	1.5
200.13911	2.6
205.09760	6.0
206.09671	1.3
222.09116	2.4
227.58914	0.5
228.13464	2.4
229.15512	0.9
234.09171	5.3
236.10481	0.7
246.14552	1.3
248.10756	1.9
294.11240	9.0
311.10571	0.8
311.13885	5.6
411.23526	0.6
443.03018	0.6
456.16620	8.7
473.19312	3.7
473.25198	1.1
474.24701	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17386	0.8
55.01856	1.4
55.05510	1.4
55.93520	7.2
56.94296	2.7
65.03927	0.8
67.05495	2.1
69.03427	1.3
69.07059	1.8
69.53086	6.7
70.03738	1.2
70.04076	14.1
70.06586	1.8
70.95862	12.2
71.92975	1.1
72.08137	2.1
72.93785	16.4
74.95341	1.3
76.28614	1.0
79.05482	3.7
79.34385	0.8
81.03392	1.5
81.07055	6.2
83.04984	0.8
84.04483	1.5
84.08140	1.1
85.02884	2.5
86.09692	2.1
86.95358	0.8
88.96902	8.4
90.94815	10.8
91.05460	2.7
93.07027	2.7
93.14951	0.9
95.04962	1.7
95.08588	1.5
97.06530	1.2
99.08058	1.2
102.94795	1.0
105.07020	4.1
105.77872	0.9
106.97955	2.1
107.04948	11.5
107.08585	2.6
108.05297	1.0
108.95851	3.0
109.10159	1.1
111.08147	0.9
113.96398	1.5
116.96355	2.9
119.08580	3.1
121.06454	1.3
121.10130	1.7
123.08044	0.9
123.11701	2.0
125.96098	1.5
126.98437	1.9
127.03905	1.1
128.96324	3.6
130.97932	3.5
132.95819	6.1
133.10211	1.5
134.97389	3.3
135.11656	1.0
136.95297	1.1
138.98427	1.9
141.61176	0.9
142.97900	4.7
144.95795	1.7
144.99506	2.1
146.97404	4.2
148.98973	6.1
149.00490	1.1
150.33086	0.9
150.96870	7.2
152.99939	2.0
154.97900	1.7
156.99472	2.0
158.97424	4.0
159.01068	2.0
160.98949	4.7
162.96880	2.7
163.00560	2.5
166.97887	3.1
167.01570	1.9
168.99442	1.8
169.03194	1.1
170.97475	1.8
171.00992	4.0
172.98943	1.9
173.02568	2.0
174.96899	10.6
175.00508	3.1
176.12053	0.9
176.98450	2.7
177.02107	1.5
180.99409	1.0
181.03133	1.2
183.00989	1.3
184.98959	3.8
185.02591	3.3
186.96915	1.3
187.00508	4.1
187.04172	1.1
189.02084	2.2
190.99963	1.7
192.99445	2.1
193.03157	1.4
195.00981	1.8
195.04713	1.5
197.02592	2.0
199.00517	2.2
199.04158	1.2
201.02060	5.4
203.03690	1.1
205.03253	1.1
207.01033	2.7
207.04700	1.1
209.02438	1.0
211.04204	2.3
213.02081	1.2
213.05714	2.6
215.03728	4.6
219.03142	2.6
221.02751	2.2
221.06360	1.2
223.07651	1.0
225.02049	1.7
225.05699	4.1
227.03633	2.7
229.05203	3.0
233.48991	1.0
234.99005	2.3
235.03979	0.9
237.02161	1.1
239.03596	2.0
239.07265	1.1
243.06766	5.1
250.06592	1.8
251.03659	1.0
255.06689	1.9
265.08923	3.1
267.06647	1.1
273.09216	0.9
275.11032	4.5
277.12448	1.6
278.09589	1.9
279.07019	1.1
283.09915	10.7
293.11966	100.0
294.12247	3.2
295.09885	2.2
297.08069	1.0
301.11041	3.1
311.13034	45.2
329.14035	1.1
334.14655	4.7
335.12851	5.3
347.12985	2.1
353.13965	5.2
365.14139	2.5
455.17163	6.9
473.18005	9.2
473.24057	2.2
491.92490	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.7
55.01870	1.7
55.05504	2.0
56.05033	1.4
56.96563	1.2
57.03426	2.6
61.02925	4.5
62.56303	0.8
63.41859	0.8
65.54461	0.8
67.05495	2.0
69.03422	8.5
69.07085	1.9
70.04071	0.7
70.06596	19.8
71.04995	1.6
71.58345	1.5
72.08162	6.5
73.02897	1.8
74.42292	0.8
79.05495	3.1
81.03419	4.4
81.07059	3.1
83.04993	0.9
84.04489	3.6
84.08159	6.5
85.02907	22.4
86.09706	20.3
87.00835	1.3
87.04445	1.3
87.10080	1.0
88.03970	1.6
91.03983	1.3
91.05476	5.4
93.07037	2.6
94.04183	2.7
95.04970	1.6
95.08605	1.1
97.02885	7.6
99.04422	1.9
101.07085	0.9
103.05470	3.8
105.01915	1.2
105.07045	5.6
107.04974	9.0
107.08556	1.0
109.02229	0.8
109.02867	5.2
109.06514	4.1
110.07153	2.5
111.04445	1.4
115.05430	3.4
117.07017	2.3
119.04938	1.6
120.08092	4.2
121.06465	1.7
122.03648	8.1
123.08063	7.8
127.03925	8.8
128.06219	1.7
129.07034	6.4
129.10236	3.4
130.04077	1.7
131.04945	5.0
133.06467	3.5
135.07994	1.0
136.07576	1.0
137.05980	100.0
138.06317	1.3
141.06970	3.5
142.60208	0.8
143.08595	0.9
145.04956	2.5
145.06502	19.1
145.10115	1.3
146.03616	2.5
147.04395	3.8
149.05980	1.7
149.09595	1.0
157.06500	15.7
159.02834	1.4
159.08040	1.2
161.05983	9.7
162.06758	4.0
163.07466	2.1
169.06490	22.1
171.08044	2.9
184.07324	1.6
187.07610	1.4
189.06992	1.9
189.12718	0.9
190.07776	6.0
193.10178	1.2
200.27089	1.0
201.12363	2.6
202.07742	2.4
203.08594	4.4
204.09158	1.6
205.10143	5.2
215.08572	9.6
218.07291	4.9
219.07993	1.5
221.09613	2.1
225.14761	2.0
229.11832	2.2
231.08052	2.6
232.08775	1.8
233.09621	12.1
243.07965	1.3
244.08705	1.1
245.18674	1.7
249.09164	3.4
261.09082	21.6
265.12244	1.7
281.11722	11.3
293.08673	1.5
293.11743	13.9
295.13300	1.1
301.87228	0.9
309.09229	0.8
355.17612	1.2
473.22287	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.4
55.01850	1.6
55.05500	2.1
55.06073	1.0
56.05026	3.0
56.96555	1.4
57.03430	1.5
59.04981	1.3
60.04508	4.1
64.23093	1.1
65.03915	1.4
67.05503	2.9
69.03423	3.6
69.07065	2.1
69.52989	5.1
69.53417	3.6
70.04081	10.8
70.06592	30.4
71.04989	2.2
72.08154	21.5
74.06085	1.8
74.59005	1.0
79.05492	4.8
81.03422	3.7
81.07059	3.0
83.06111	2.1
84.04511	9.7
84.08141	16.8
85.02920	6.9
85.04864	1.1
86.09706	48.0
87.05584	1.9
88.03953	1.7
91.05475	14.3
92.05815	2.9
93.07028	1.5
94.06561	5.9
95.04967	2.9
95.08614	1.5
97.02905	3.7
98.98499	1.3
99.04450	3.2
102.05536	3.5
103.03931	1.9
103.05447	2.2
105.07020	3.4
106.06577	1.8
107.04955	100.0
108.05279	22.6
109.02862	3.0
109.06444	2.0
110.07143	4.4
112.08746	1.5
112.11227	1.3
115.05473	1.6
116.07088	2.0
120.08107	10.6
124.99947	1.3
127.03981	6.6
129.06949	2.8
129.10246	6.1
130.05017	1.5
130.06554	1.2
131.04936	2.0
132.08096	5.1
133.06442	1.5
136.07565	3.6
137.05969	29.0
137.07872	1.3
145.04948	2.9
145.06467	4.4
147.04399	2.4
147.07809	1.4
148.07555	1.9
149.05991	1.3
150.09129	3.7
154.08638	8.9
155.08934	3.4
157.06512	7.1
161.05977	3.7
161.09593	1.5
166.08731	1.7
168.99571	1.3
169.06461	6.5
171.14899	1.5
173.09338	1.4
175.07465	1.7
177.00658	1.7
184.07301	2.3
187.07549	2.1
190.07845	1.4
199.18048	5.8
201.12326	1.3
203.08438	1.4
205.10124	1.4
213.12282	1.2
214.25645	1.2
215.08684	2.6
215.13933	3.4
221.09656	2.0
226.03716	3.1
227.17523	2.0
229.12022	1.6
229.14166	1.8
231.17064	2.9
233.09621	3.4
237.02727	2.2
239.14964	1.1
243.13396	3.3
247.13029	2.7
249.08980	1.4
251.10744	2.9
256.99637	1.4
260.12866	11.3
261.09164	6.9
261.13144	8.6
281.11758	4.6
293.11646	4.0
306.42953	1.4
329.03549	1.6
366.16815	6.9
367.17352	19.0
378.84814	1.2
473.23096	2.6
473.31073	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	472.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95459	0.6
54.04300	0.6
55.05504	2.6
56.05031	3.1
56.96545	0.8
57.03404	0.9
58.06598	1.4
59.27790	0.5
60.04527	1.3
60.08162	17.0
65.08669	0.5
65.48376	0.6
66.82213	0.5
67.05499	2.6
69.03423	1.0
69.07053	2.4
70.06590	21.2
71.04982	1.5
71.06964	1.1
71.07367	5.4
71.10786	1.3
72.08156	8.7
74.06064	0.6
79.05492	1.9
81.03402	1.8
81.07045	4.2
82.06554	0.7
83.06094	1.2
83.08602	1.0
84.04499	4.9
84.08139	8.5
85.02898	1.7
85.06548	0.9
86.06055	1.0
86.09703	61.0
87.05566	0.6
87.10039	1.7
88.03963	0.7
91.05483	2.4
91.96667	0.5
93.07053	1.9
94.06606	0.5
95.08605	3.6
97.02898	0.8
97.06524	0.7
98.06068	0.7
98.98470	4.1
101.07140	0.9
102.05527	1.2
104.10741	100.0
105.07027	1.1
105.11060	1.0
107.04952	4.9
107.08595	0.8
109.10164	1.3
110.07178	3.5
112.08724	0.8
114.05541	0.8
115.08644	0.9
119.08577	1.7
120.08101	3.4
125.00000	25.4
129.10226	5.1
130.04971	0.9
133.06340	0.6
133.10130	1.4
136.07582	1.3
143.11711	0.5
147.45149	0.6
161.09615	0.8
161.13284	1.0
163.01433	0.6
165.09116	0.6
167.09454	0.5
183.11226	0.6
184.07336	90.1
185.07735	1.3
191.08095	1.6
192.08463	1.6
193.08614	1.1
201.10394	0.6
242.15018	0.8
243.13358	0.7
258.10977	1.0
307.06165	0.8
310.13672	0.9
454.25543	7.4
472.26733	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	472.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.5
56.05027	0.9
56.96550	0.3
57.03428	0.2
58.06618	0.4
58.83979	0.2
58.94351	0.1
59.07388	0.2
59.54659	0.1
60.04525	0.2
60.08160	6.9
60.08472	0.3
66.95702	0.1
67.05499	0.8
69.07059	0.4
70.06588	2.9
71.04968	0.3
71.06960	0.2
71.07368	2.8
71.58935	0.2
72.08147	1.1
74.06054	0.1
74.50804	0.1
79.05487	0.4
81.07039	0.8
83.06090	0.3
83.08627	0.3
84.04508	1.0
84.08143	1.4
85.02914	0.3
85.06524	0.2
86.09701	33.8
87.10039	0.4
91.05473	0.7
93.07030	0.4
95.04927	0.2
95.08613	0.9
97.06557	0.2
98.98460	3.0
101.07155	0.2
102.05537	0.2
104.10739	5.8
105.07046	0.4
106.61578	0.1
107.04955	1.0
108.94986	0.1
109.10162	0.2
110.07172	0.7
112.08710	0.2
119.08570	0.3
120.08095	0.6
124.99995	21.7
128.90587	0.1
129.10240	1.0
130.05006	0.4
133.06474	0.6
133.10118	0.1
136.07581	0.1
138.09129	0.2
138.52850	0.1
143.01042	0.3
143.11794	0.2
153.71667	0.1
161.13234	0.2
183.11279	0.3
184.07327	100.0
185.07669	1.2
200.13948	0.2
208.02977	0.3
211.34247	0.1
245.93303	0.2
258.11133	0.2
294.47272	0.2
341.10135	0.2
367.41473	0.2
450.40869	0.2
454.25647	1.0
472.20233	0.2
472.26764	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	472.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.4
56.05035	1.1
57.03431	0.3
58.06625	0.6
58.69361	0.2
60.04522	0.7
60.08159	6.4
64.33643	0.2
66.77181	0.2
67.05502	0.9
68.05038	0.2
69.03416	0.3
69.07066	0.6
70.03611	0.9
70.06585	6.5
71.04988	0.8
71.06962	0.4
71.07370	2.8
72.08150	2.2
74.06081	0.3
78.01789	0.3
79.05492	0.3
81.07056	1.2
84.04482	1.0
84.07690	0.3
84.08143	2.5
85.02892	0.5
86.06059	0.3
86.09702	33.4
87.05613	0.2
87.10034	0.6
88.04000	0.4
88.07623	1.2
91.05478	0.6
93.07050	0.4
95.08604	0.8
97.02919	0.3
97.06512	0.2
98.06052	0.3
98.98458	2.9
102.05540	0.6
103.05460	0.6
104.10736	3.4
105.07014	0.5
106.08657	0.3
107.04951	0.8
107.08591	0.3
110.07159	1.2
112.08707	0.4
116.07076	0.4
118.97285	0.2
119.04948	0.3
119.08600	0.3
120.08105	1.0
122.03625	0.2
124.99998	20.2
127.38586	0.2
129.10220	1.6
130.05014	0.3
131.04936	0.8
136.07567	0.3
137.05966	2.6
141.10284	0.2
143.01015	0.4
145.06448	0.4
157.06448	0.7
161.05960	0.4
163.07469	0.3
163.31146	0.2
169.06563	0.4
184.07332	100.0
185.07648	1.1
203.08508	0.3
229.15482	0.2
230.15659	0.2
233.09644	0.4
261.09149	0.4
281.11679	0.3
293.11737	0.3
297.61111	0.2
312.38501	0.2
454.25317	0.8
472.26801	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	472.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22633	0.4
54.96799	0.5
55.01867	0.8
55.05511	1.2
56.05026	0.6
57.03429	1.0
60.05652	2.3
61.02918	1.3
61.56718	0.5
67.05512	3.6
68.05040	0.7
69.03429	2.8
69.07059	0.7
70.02945	5.0
70.06587	52.5
71.04986	1.9
71.59547	1.0
72.08158	4.8
73.02888	0.8
73.21437	0.5
74.02444	3.5
79.05490	1.2
81.03419	1.3
81.07054	1.1
84.04507	1.9
84.08137	2.5
85.02902	9.0
86.06075	0.6
86.09696	3.4
87.04477	1.1
87.05586	30.8
88.03992	3.3
91.03919	0.6
91.05486	3.7
93.07036	2.7
95.04937	1.0
95.06106	2.6
95.08607	7.9
97.02901	2.3
97.06506	0.5
97.07655	1.4
98.02409	0.7
98.03535	0.8
98.06050	1.3
99.04440	0.7
100.11253	1.9
101.11556	0.6
103.03947	0.6
107.04942	6.9
109.02901	0.6
109.10149	3.5
110.07184	1.2
112.05094	0.8
112.08733	6.4
113.07133	6.4
114.05511	1.6
114.10305	1.6
115.08688	9.3
116.03442	1.9
116.07085	7.6
119.08559	3.8
120.08119	1.1
127.03919	2.1
129.10243	1.5
130.04987	1.1
130.09764	0.7
133.06082	13.6
133.09827	0.7
134.09641	0.9
136.07645	0.6
136.11223	1.4
137.09616	12.4
140.04536	1.0
140.08205	1.4
145.04924	4.7
147.04424	0.8
150.06615	0.6
152.08159	0.9
154.12283	2.5
155.10637	0.5
157.07216	0.9
158.05620	3.0
158.09210	4.4
159.07654	1.5
163.06027	1.0
164.08194	2.7
164.10698	0.6
165.09149	2.0
175.11877	3.0
180.77023	0.5
181.10751	0.5
182.09270	1.2
182.11714	3.2
184.07347	2.2
209.10330	1.5
210.08777	5.5
212.10390	0.8
227.11572	0.7
228.09784	0.5
251.17648	0.9
252.15941	1.0
272.13400	0.9
273.11905	1.2
276.17050	4.7
277.15491	1.3
279.17102	2.7
279.61539	0.5
290.14691	0.8
294.18344	0.6
297.18240	0.5
304.16699	2.7
315.19214	1.5
318.81259	0.6
322.17542	0.6
323.16162	2.0
357.21326	9.0
392.18375	1.0
437.20395	1.2
440.23807	0.6
454.23041	3.9
455.21170	6.2
472.24008	100.0
473.24152	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	472.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
53.53510	0.7
55.05505	1.5
56.96562	0.6
57.03429	0.7
60.04501	0.7
60.05639	2.1
61.02921	0.8
67.05490	4.0
68.05029	0.7
69.03425	3.1
70.02955	6.1
70.06586	54.0
70.54293	0.6
71.04975	2.1
71.59927	1.0
72.08154	4.0
73.02908	1.3
74.02442	4.1
80.37782	0.6
81.03411	1.2
83.06091	0.8
83.08603	0.7
84.04494	2.8
84.08132	2.8
85.02425	0.9
85.02901	11.3
86.06068	0.8
86.09685	4.6
87.05584	31.7
88.03970	3.2
91.05485	3.1
93.07046	3.6
95.06073	3.1
95.08611	7.9
97.02879	3.3
97.07654	1.5
98.02415	1.2
98.03525	1.6
98.06041	1.9
99.04430	0.7
100.11244	1.8
103.03960	0.8
107.04950	7.0
109.02864	1.0
109.06542	0.7
109.10151	4.4
110.07149	1.2
112.08716	7.0
113.07107	7.3
114.05501	1.6
114.10297	1.3
115.05053	0.8
115.08676	9.9
116.03448	1.8
116.07089	9.7
119.04919	0.9
119.08571	3.5
120.08092	0.9
127.03905	3.0
129.10233	2.5
130.05035	0.9
130.09746	1.1
133.06070	14.4
134.09615	0.9
136.11249	1.5
137.09612	11.5
140.04564	0.8
140.08215	1.7
145.04953	5.9
147.04367	1.6
147.07819	0.7
152.08142	1.1
154.12277	2.6
155.10692	0.7
156.07777	0.7
158.05606	3.0
158.09209	5.0
159.07680	2.0
163.06044	1.5
164.08200	2.9
165.09103	2.1
175.11929	2.6
182.09363	1.2
182.11766	3.8
184.07358	2.9
209.10344	1.5
210.08694	4.1
213.09250	0.7
227.11641	0.8
228.09846	1.1
244.09422	0.8
248.17766	0.7
251.17477	1.6
252.15875	1.3
255.11009	0.7
272.13388	1.1
273.12125	1.3
276.17096	5.0
279.16959	3.8
290.14566	1.2
304.16574	2.0
315.19305	1.1
323.16116	1.1
343.24014	0.7
346.17645	1.0
357.21280	10.0
364.18933	1.0
402.95331	0.6
438.45740	0.7
454.23038	3.0
455.21365	6.0
472.24014	100.0
472.35364	3.5
473.24203	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44856	0.3
56.05021	0.3
70.06590	2.3
71.33370	0.5
72.08119	0.3
84.04488	0.4
84.08124	0.4
85.02899	0.4
86.06037	0.3
86.09678	0.7
87.09963	0.3
88.03994	0.2
91.04971	0.3
91.05476	3.7
95.04947	0.3
103.05457	0.4
107.04955	2.1
110.07135	0.2
115.05408	0.5
116.98631	0.2
117.06987	0.2
119.04937	8.0
120.01134	0.5
120.08092	0.3
129.10208	0.4
132.02060	0.3
132.05696	0.3
135.04366	0.4
136.05205	0.3
136.07556	0.4
145.06332	0.2
147.04408	9.3
147.05659	0.5
151.03859	0.5
157.03943	0.4
163.03906	0.7
164.04686	1.5
166.04929	0.2
175.03899	20.8
176.04301	0.2
179.01578	0.5
179.07024	0.6
180.97578	0.2
187.10728	0.2
190.06367	0.3
191.03325	0.5
192.04156	0.6
207.06511	11.9
208.03674	0.5
219.06506	0.4
234.00171	0.3
235.05931	0.5
236.06827	1.4
236.10674	1.1
251.09125	100.0
252.09480	2.3
264.61618	0.2
310.16476	3.1
472.21701	31.8
473.22076	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92816	0.1
59.50430	0.1
65.03899	0.2
70.06560	0.1
70.75860	0.3
70.76251	0.3
77.03869	0.1
86.09669	0.2
91.05471	2.4
107.04906	0.5
115.05439	0.6
117.06949	0.3
119.04935	5.6
119.08531	0.2
121.06529	0.1
128.06171	0.2
130.35443	0.1
132.05664	0.2
143.04953	0.2
145.06429	0.4
147.04396	6.7
147.08058	0.2
149.05934	0.2
151.03844	0.5
157.03917	0.5
161.05972	0.2
162.03087	0.1
163.03865	0.3
164.04683	1.0
174.03059	0.3
175.03891	13.8
176.04335	0.2
179.06966	0.5
190.06190	0.3
191.03320	0.4
192.04156	0.3
199.87193	0.1
207.06512	9.2
208.03630	0.5
208.06985	0.2
235.05917	0.5
236.06795	1.1
251.09119	100.0
252.09523	1.4
271.00705	0.2
310.16400	1.0
310.32779	0.1
405.03876	0.1
472.21786	9.5
473.21649	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	472.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.3
51.54971	0.2
53.03931	0.8
56.96573	0.2
57.02984	0.2
61.23476	0.2
61.23857	0.2
66.68291	0.2
70.06594	2.7
70.25387	0.8
72.08157	0.3
74.90733	0.2
79.05483	1.3
84.08131	0.3
85.02853	0.3
87.04427	0.2
88.07619	0.4
89.06020	2.5
91.05483	0.7
94.06561	5.1
95.04960	1.7
105.40985	0.2
107.04944	100.0
108.05282	1.1
110.58089	0.9
114.09159	1.5
115.09442	0.2
132.10237	1.0
132.11078	0.2
132.59433	0.4
133.08585	0.5
136.07529	1.9
148.07545	0.6
154.08620	11.5
166.08641	0.4
176.12816	0.7
198.09161	0.5
234.02446	0.2
242.11757	0.7
258.11264	0.8
260.12805	14.6
264.17963	0.3
272.12769	0.4
292.13452	0.4
364.15384	1.5
366.16968	21.9
367.17276	0.4
444.84512	0.3
470.59390	0.2
472.21213	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99363	0.2
53.03948	0.2
55.01885	0.2
55.05503	0.2
57.03431	0.7
57.07075	0.4
61.02922	1.2
67.05518	0.9
69.03431	2.6
70.04077	100.0
71.03789	0.3
71.04409	0.6
71.05002	0.3
71.05374	0.1
71.26775	0.1
71.43571	0.2
73.02914	0.3
79.05512	0.3
81.03427	1.5
81.07069	0.6
83.01353	0.2
85.02906	6.8
85.06546	0.2
91.04008	0.2
91.05483	0.7
93.07091	0.3
95.04991	0.2
95.08599	0.2
97.02891	2.3
98.98527	0.2
99.04468	0.5
105.07041	0.4
108.08154	0.2
109.02892	0.7
113.06022	1.1
117.07006	0.4
119.08588	0.4
127.03932	0.7
131.08589	0.3
133.10133	0.2
145.04958	0.9
145.10184	0.3
173.13290	0.2
204.02747	0.2
239.12723	0.2
239.18076	0.2
310.09573	0.6
331.22540	0.8
386.81226	0.2
393.04541	0.2
472.23975	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.4
55.01866	0.3
55.05484	0.2
57.03437	0.8
57.07076	0.4
59.33936	0.1
61.02919	0.9
67.05507	1.0
69.03429	2.6
69.79874	1.0
70.04076	100.0
71.04423	0.2
71.04997	0.3
73.02920	0.4
79.05493	0.6
81.03423	1.3
81.07069	0.7
84.08155	0.2
85.02903	7.0
85.06555	0.2
86.09689	0.2
87.04502	0.3
91.03943	0.3
91.05463	1.0
93.07056	0.5
95.04995	0.3
95.08614	0.4
97.02889	2.4
98.21503	0.2
98.98480	0.2
99.04475	0.4
105.07051	0.7
107.08627	0.3
109.02862	0.8
113.06007	0.8
117.07056	0.4
119.08611	0.5
119.81846	0.2
120.84951	0.1
121.10110	0.2
127.03902	1.3
129.05527	0.2
129.06996	0.2
131.08601	0.5
133.10135	0.3
145.04965	1.1
145.10158	0.4
159.11728	0.2
171.11745	0.2
232.68068	0.1
257.19260	0.2
257.45767	0.2
279.81857	0.1
300.23169	0.3
310.09601	0.8
331.22638	1.4
374.27045	0.2
472.24524	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.3
55.01876	3.6
55.05508	19.8
56.96554	4.6
57.03434	13.6
57.07060	10.0
61.02921	4.9
65.03924	2.9
67.05499	51.4
68.05824	2.2
69.03434	5.3
69.07065	37.3
69.89041	5.1
69.89459	8.8
70.04063	3.1
71.04995	3.3
73.02924	3.0
79.05488	65.4
81.03409	5.1
81.07051	100.0
83.04974	16.0
83.08614	15.3
85.02887	7.2
91.03967	5.2
91.05479	39.6
93.07040	73.4
94.07388	2.1
95.04967	12.7
95.08601	81.0
97.02882	4.0
97.06524	7.9
97.10123	4.1
98.98464	20.3
99.04451	3.3
105.07020	56.0
105.07671	4.2
107.04900	3.2
107.08590	77.9
108.95834	2.2
109.06529	12.6
109.10155	36.6
111.08088	7.5
115.05473	3.6
117.07047	14.2
119.08575	54.8
121.06507	6.8
121.10135	51.5
123.08063	7.4
123.11709	12.5
125.09635	3.4
127.07555	13.5
128.06194	5.4
129.01033	3.1
129.07031	11.0
131.08551	31.4
133.06491	2.3
133.10124	45.4
135.08063	6.9
135.11688	25.4
136.99988	14.3
137.13242	2.6
139.07556	2.0
141.06982	2.9
142.07768	3.7
143.08600	17.5
145.10118	38.6
147.08026	7.0
147.11676	32.6
149.09598	8.3
149.13257	14.5
153.09148	4.4
155.01054	16.1
155.08548	6.7
156.09319	2.7
157.10100	20.6
159.08067	5.1
159.11697	30.3
159.12881	4.0
161.09572	9.7
161.13222	19.9
163.11169	10.8
163.14793	6.0
165.09064	2.8
167.08635	2.7
167.10712	3.5
169.10118	9.7
171.11665	16.0
173.09656	4.5
173.13226	18.8
175.11209	7.8
175.14824	14.0
177.12679	3.8
179.10657	6.4
181.12245	9.0
183.11720	6.5
185.13216	14.5
187.11217	2.7
187.14809	10.9
189.12691	6.1
189.16409	8.0
191.14262	4.5
193.02679	2.5
193.12143	2.7
195.11653	6.8
195.13747	6.8
197.07335	5.0
197.13254	8.7
199.14836	13.4
201.16469	7.7
203.14398	4.1
203.17915	4.8
205.15833	6.8
207.13918	2.8
209.13297	5.1
209.15344	6.1
211.03661	5.0
211.14809	6.5
213.16370	10.6
215.14267	2.7
215.17963	5.6
217.15837	5.7
219.13814	3.1
221.15376	8.2
223.16922	5.3
225.16371	7.5
227.18015	3.8
229.15849	6.1
231.17445	5.6
233.15385	5.7
235.16870	10.4
241.19557	2.7
243.08946	3.3
243.21005	3.0
247.17017	6.2
249.18518	7.0
259.12851	4.2
261.18436	3.8
261.22244	4.6
265.19495	4.1
275.20111	4.4
285.10260	2.8
287.12476	2.6
313.25363	2.4
324.11194	2.6
329.24683	11.2
331.26285	7.4
335.25848	7.9
378.02191	2.7
417.31418	4.3
423.32465	4.4
435.32590	19.4
453.33783	21.4
471.18903	20.5
471.25134	11.8
471.34924	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	471.347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	6.7
55.05514	20.2
56.96559	2.5
57.07068	5.3
67.05506	44.3
67.46678	2.3
69.03431	2.8
69.07067	19.8
71.04987	5.4
71.29878	5.0
73.02914	4.9
73.90900	2.6
79.05483	32.0
81.07056	64.1
83.04946	2.7
83.08627	5.1
85.02888	4.3
85.06534	4.1
91.05475	43.6
93.07040	66.7
95.04952	8.5
95.08604	100.0
97.02887	2.6
97.06538	3.8
97.10190	4.3
99.04456	3.8
105.07027	76.2
107.08590	79.4
109.06535	10.9
109.10151	53.3
111.08072	10.1
113.09608	3.3
117.07015	13.3
119.08576	74.2
121.06476	5.8
121.10133	33.1
123.08084	8.9
123.11707	10.7
125.06016	4.5
125.09642	8.8
127.11162	2.7
128.06197	3.8
129.06989	8.9
130.07753	3.1
131.08553	39.2
132.50398	2.7
133.10126	49.9
135.08047	5.3
135.11668	25.2
137.09616	5.1
138.48781	2.4
140.99641	2.8
141.06909	2.7
142.07829	6.3
143.08549	18.2
144.09322	3.8
145.10115	48.9
147.08067	5.3
147.11684	41.8
149.09572	6.4
149.13281	10.8
153.09151	3.9
155.08525	8.0
157.10139	21.0
159.08044	5.7
159.11690	39.1
161.09647	6.2
161.13255	22.9
163.11201	4.0
163.14851	6.6
165.09146	3.0
167.07069	6.0
167.08537	3.6
167.10681	3.9
167.68149	2.7
169.08665	6.2
169.10124	10.0
171.11710	20.2
173.09679	5.1
173.13281	32.4
175.11191	6.4
175.14813	13.0
176.39371	2.4
177.09026	5.3
177.12776	3.6
181.10078	3.5
183.10194	2.9
183.11690	7.7
185.13255	11.9
187.11221	5.0
187.14807	13.5
189.16350	5.4
193.15846	3.7
195.11636	6.6
197.13268	7.8
199.14862	11.8
201.12793	5.4
201.16383	17.9
203.14293	3.9
203.17908	8.7
205.12323	3.0
207.13852	5.8
209.13309	4.2
211.14836	6.0
213.12697	4.5
213.16389	5.7
215.14371	4.0
215.17944	9.9
217.12239	3.2
217.15819	2.9
217.19403	4.7
219.13809	11.1
219.17461	9.4
221.15338	7.1
225.16322	3.4
227.14278	2.7
229.15985	3.7
231.13861	6.4
233.15376	8.9
233.19026	6.0
235.16959	3.7
245.15482	4.2
247.16934	5.1
247.20537	3.1
280.39856	2.7
285.18469	2.8
287.20114	3.1
309.22217	4.7
327.23148	13.4
345.24158	11.7
385.28012	3.0
417.31607	4.3
425.34134	6.4
435.32498	16.8
447.67490	3.0
453.33603	37.0
471.34763	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	471.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	11.0
56.96561	13.9
57.03434	64.4
57.07093	2.1
65.03913	2.4
67.05187	2.7
67.05509	37.4
67.42078	1.9
68.53908	1.9
69.07066	12.7
70.33471	3.9
70.33858	4.7
71.08621	2.1
73.45272	1.9
79.05492	39.7
81.06650	2.8
81.07062	38.8
83.08607	6.8
85.06574	2.7
91.05074	1.9
91.05494	23.5
93.07042	33.5
95.04958	4.2
95.08603	26.4
97.10139	2.9
98.98463	100.0
102.92603	4.7
105.07029	19.8
107.08597	26.1
108.56569	2.2
109.06517	2.4
109.10147	14.3
111.55326	2.0
116.99500	4.7
117.06993	6.3
119.08575	13.4
121.10152	21.9
123.11695	5.0
124.90492	2.2
128.98651	3.2
131.08578	10.2
133.10158	11.1
135.11707	17.9
136.93112	7.7
136.99988	76.8
145.10120	9.1
146.99629	4.4
147.11668	8.8
149.13217	10.2
154.94168	34.1
155.01042	98.9
159.11684	7.7
161.13226	6.9
163.14792	3.4
165.24240	1.9
172.95239	79.1
173.13257	7.1
175.14769	3.7
187.14836	4.7
190.96281	58.4
193.02614	16.6
195.96774	2.1
210.96785	8.6
211.03642	34.4
228.97871	28.0
243.21039	16.5
246.98970	4.5
251.99420	3.1
261.22101	19.8
268.22690	3.2
299.23712	2.2
315.16116	2.6
317.17865	46.7
317.24658	8.3
318.18277	3.2
334.59079	2.1
335.19034	27.4
335.25748	44.7
335.29831	2.7
358.20532	5.5
391.57040	2.3
397.14590	4.7
411.16296	3.0
453.17047	37.4
454.17514	2.2
471.18039	92.2
471.24994	63.3
472.18253	6.4
472.24915	2.3
494.20053	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	471.22
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
52.87722	0.3
55.05504	0.5
56.96547	0.9
57.03417	0.5
61.02884	0.3
67.05494	1.3
67.43739	0.3
69.03422	0.4
69.07068	0.4
69.51395	2.8
70.04071	0.4
70.06586	0.9
73.02919	0.4
73.99165	0.3
79.05479	1.1
81.03413	0.6
81.07055	1.0
83.04978	0.4
84.04485	0.3
85.02885	1.3
89.06067	0.3
91.03982	0.3
91.05492	0.4
93.07037	0.6
95.04974	0.5
95.08601	0.6
97.02876	0.6
98.02452	0.3
98.20775	0.7
98.97562	1.1
105.07044	0.4
107.04955	2.7
107.08604	0.7
108.08070	0.3
109.06458	0.3
109.10148	0.4
116.98623	1.2
119.08533	0.6
120.08127	0.4
121.06467	0.5
121.10164	0.5
129.07007	0.4
131.00163	0.6
131.07425	0.3
131.08449	0.3
137.05963	0.4
185.04207	0.4
191.02295	0.4
212.16411	0.5
215.11441	0.5
219.01924	0.4
223.09978	0.6
265.11160	1.0
271.13895	0.4
285.10107	0.4
295.13809	0.3
309.16742	1.4
309.27866	0.4
317.23172	0.7
318.20587	0.5
333.22650	0.4
365.19696	0.5
439.27179	0.5
471.22009	100.0
472.22287	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	471.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
55.01871	1.8
55.05499	13.4
56.96547	4.7
57.03433	55.9
57.07063	4.0
61.02908	7.9
65.03933	2.7
67.05170	3.3
67.05500	51.8
69.03415	2.9
69.07066	15.8
70.06566	1.9
70.73056	5.5
71.04974	2.8
71.08608	3.4
73.02908	4.4
76.99729	1.9
77.76613	1.7
79.05487	40.7
81.03401	5.5
81.06567	3.4
81.07046	50.2
81.18427	1.9
83.04976	5.0
83.08617	7.6
85.02897	8.6
90.94798	2.3
91.03953	4.7
91.05483	28.7
92.05769	1.8
93.07034	52.6
95.04941	8.3
95.08601	39.8
97.02876	6.1
97.06519	2.6
97.10172	2.7
98.98459	100.0
102.87799	2.0
105.07029	24.9
107.04933	3.9
107.08587	31.1
109.06529	4.2
109.10128	16.3
116.99467	3.7
117.07013	10.8
119.08578	20.6
121.10123	25.0
123.08060	2.3
123.11696	6.7
131.08568	20.0
133.10110	15.2
135.11673	24.1
136.99980	70.1
137.09659	1.8
137.13242	2.4
143.08533	4.2
145.10129	15.5
147.11607	9.5
149.13264	16.2
154.94173	1.9
155.01033	90.3
157.10167	3.1
159.11682	11.7
161.13258	6.9
163.14746	4.7
169.10220	2.2
171.11731	1.9
172.95221	8.2
173.09552	1.9
173.13231	7.0
175.11179	1.8
175.14778	5.0
177.16426	2.3
178.02605	4.3
185.13292	2.6
187.14790	5.9
190.92561	1.8
190.96265	7.7
193.02608	13.4
201.12805	2.2
211.03642	28.6
228.97832	3.7
241.07584	2.0
243.08983	8.6
243.21036	16.2
259.08401	4.3
261.22131	18.3
285.10071	4.4
301.09613	7.1
303.11041	2.6
317.17892	5.3
317.24548	8.8
324.11371	2.9
332.11194	3.8
333.15137	2.2
335.19196	3.9
335.25732	44.6
349.15732	2.5
426.21481	3.0
453.17203	4.3
453.33905	2.6
471.18143	12.4
471.24960	64.9
471.34622	6.0
487.14340	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	471.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68864	0.8
55.05508	0.9
56.96557	11.6
57.03425	1.7
62.78107	0.8
67.05485	2.3
69.57119	0.8
70.84679	2.7
70.85036	0.8
71.95261	1.8
76.79515	0.7
79.05486	2.9
81.07062	2.1
84.26882	0.7
84.96015	0.8
91.05480	1.3
93.07028	2.0
95.08607	1.5
97.56852	0.9
98.98473	5.3
102.79314	0.8
102.92609	3.0
105.07047	1.2
107.08601	1.9
110.97604	1.3
118.92117	1.2
128.98586	2.8
131.08569	1.0
136.93130	9.8
136.99998	2.9
145.10147	1.0
146.99667	2.3
149.67981	1.0
154.94167	34.1
155.01073	4.2
162.24808	0.8
165.00615	1.1
169.05421	0.9
172.95233	99.8
177.95810	1.9
184.59685	0.8
185.38571	0.8
190.96283	61.8
195.96858	7.5
200.19394	0.8
210.96785	10.7
211.03743	1.1
212.98438	1.2
213.97914	3.2
216.97987	1.1
228.97841	34.0
230.99434	1.1
233.98422	1.5
245.10854	0.8
246.98932	7.7
251.99432	1.8
272.93536	0.8
289.99121	0.9
295.86639	0.8
315.16299	1.7
317.17877	46.8
318.18280	1.6
333.17340	2.6
335.18936	31.0
335.25638	1.8
336.19241	1.1
353.19919	1.2
358.20468	3.9
373.20483	1.9
397.14474	5.3
453.17120	42.6
454.17014	1.4
471.18234	100.0
471.24197	3.7
472.18613	3.1
494.19672	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	471.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51177	0.6
54.62395	0.5
55.06262	0.5
56.96539	0.9
69.03415	1.1
69.72763	3.6
70.06573	1.7
84.04473	0.7
85.02898	1.5
86.06090	0.6
91.05437	0.5
97.02867	1.1
98.97562	1.2
107.04948	13.4
108.05274	1.3
119.01890	0.6
119.04970	1.0
131.01892	0.9
134.99637	0.9
147.04395	1.9
152.07072	0.6
161.02902	0.9
173.02910	0.7
177.05467	0.7
180.04587	0.6
185.06580	0.8
196.40918	0.5
197.02953	1.0
203.07701	0.6
207.05083	0.9
219.01590	0.7
221.05075	1.4
234.98915	0.8
237.02832	1.5
239.04102	0.6
245.05074	2.1
304.09793	0.6
309.09378	6.1
471.14688	100.0
472.15073	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1823
Annotation	Plagiochin A
Peak:m/z	Relative Intensity
54.79320	0.3
56.96564	15.2
69.52410	3.1
71.95242	1.6
72.96035	0.7
74.97588	0.7
78.71687	0.4
81.07039	0.6
84.96046	0.7
92.98618	0.4
95.25034	0.4
97.96815	0.5
98.20802	0.9
98.97560	0.4
102.92621	3.6
110.97563	0.8
115.97829	1.0
116.98619	0.8
118.92060	1.6
120.93610	0.7
123.01177	0.6
128.98601	2.7
136.93106	8.5
137.02736	0.8
146.99640	3.8
154.94171	32.6
155.03798	0.8
161.01204	1.3
165.00723	1.1
172.95242	95.9
175.02716	0.5
177.95837	1.1
189.04381	1.5
190.96291	62.5
192.95863	1.3
195.96840	6.5
198.96844	1.1
208.97371	1.5
210.96803	10.5
212.98402	1.8
213.97855	3.2
214.96321	0.5
216.97878	1.3
217.07446	0.5
218.51843	0.4
227.09532	0.7
228.97862	32.6
230.99428	2.2
233.98409	1.5
239.09743	0.4
245.10654	1.1
246.98933	6.2
251.99521	2.8
257.10693	0.6
279.12640	0.8
297.13699	0.6
315.16302	0.9
317.17892	54.7
318.18372	1.1
333.17487	2.4
335.18930	32.1
336.19339	0.5
353.19940	1.0
358.20544	6.4
373.20444	1.1
397.14551	4.6
411.16132	1.8
415.15759	0.5
453.17151	42.0
454.17523	1.2
471.18240	100.0
472.18610	1.8
494.19818	9.3
495.19757	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04987	5.5
56.96556	23.5
60.78563	4.8
69.03416	10.2
70.06589	48.7
70.95832	4.9
71.59610	7.4
72.08149	19.9
74.06071	21.5
79.47793	4.9
84.04486	8.1
84.08136	20.6
85.02873	6.5
86.09696	19.7
90.30293	5.6
94.00540	4.6
95.06053	5.6
98.97599	14.8
103.05461	40.6
105.07007	8.9
107.04933	54.2
107.08569	7.8
110.07164	13.1
112.08690	5.6
116.98618	13.8
119.01933	9.1
119.04894	6.1
120.08114	7.5
129.10228	9.0
130.04105	7.2
131.04910	100.0
131.05820	9.7
133.06441	10.7
134.99628	11.4
137.05978	45.1
146.99660	12.8
147.04396	18.9
148.05174	21.7
158.80533	5.3
161.02971	7.4
161.05992	8.5
163.07565	46.2
175.01581	13.5
175.03748	8.6
177.00659	5.4
177.05502	5.4
192.05042	5.9
193.01768	8.4
194.97395	5.4
201.00679	5.4
203.61618	5.0
210.01973	10.1
211.02794	39.1
217.03867	5.7
219.01762	7.1
219.13312	34.5
229.03883	11.9
233.10260	20.8
237.02808	22.4
237.11244	14.9
237.99266	5.2
251.11255	10.1
269.03378	31.5
288.12247	6.2
291.14456	20.1
295.03537	7.5
309.18369	5.5
325.17542	8.5
327.04919	13.0
337.05743	7.7
348.13943	5.6
369.08658	6.8
379.04562	11.9
471.12689	88.0
471.19876	6.4
471.22992	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	470.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.5
55.05510	1.8
56.05032	3.0
56.96579	0.5
57.03435	0.7
60.04529	1.7
60.08162	0.9
61.01143	0.7
62.45312	0.5
67.05498	1.7
68.05034	1.1
69.03442	0.7
69.07063	1.4
70.02940	0.9
70.06595	100.0
71.06934	1.4
71.22222	0.8
71.22559	0.7
72.08160	8.6
74.06078	1.3
76.02250	1.0
76.14886	0.6
81.03436	0.9
81.07039	0.6
83.06125	1.1
83.08609	0.7
84.04041	1.0
84.04511	11.8
84.08139	12.2
85.02908	1.9
85.04043	0.7
85.08502	0.8
86.06072	0.7
86.09708	39.3
86.99050	1.6
87.05592	1.2
87.10053	0.6
88.03986	0.7
91.05506	1.3
93.07082	0.8
95.04939	0.7
95.06080	0.8
95.08604	0.7
96.08163	0.5
97.02903	1.1
97.06593	0.6
98.06068	4.2
98.98489	1.3
100.11272	2.4
101.07164	2.3
102.05531	1.3
104.10730	3.9
107.04955	2.9
109.10153	0.7
110.07175	5.1
115.08755	0.8
116.07095	0.9
118.06499	0.7
120.08099	3.5
125.00041	2.4
125.10664	0.6
126.05526	1.9
128.07182	0.6
129.06615	0.6
129.10237	6.8
130.05009	13.0
132.08191	0.5
136.07623	2.2
139.08632	0.8
141.10220	1.0
143.11884	0.7
146.06017	0.8
147.07643	19.2
155.08208	0.8
156.07692	0.6
163.91667	0.6
171.11403	0.7
173.13026	0.7
177.03296	0.6
183.11462	0.8
183.14946	22.7
184.07339	10.0
184.15445	0.5
187.10851	1.6
188.07176	0.6
197.12885	0.8
201.12605	0.7
210.14787	0.7
211.14430	16.0
229.15567	1.9
243.13391	1.2
260.16071	6.1
272.05353	0.6
285.34424	0.6
299.15118	0.9
305.57712	0.6
324.22784	5.3
329.19345	0.8
339.20169	0.7
357.21344	12.5
434.20071	0.8
470.29849	20.9
471.35672	2.7
474.24899	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38011	0.3
56.05029	0.7
56.97424	0.2
57.03429	0.3
58.06608	0.5
60.07885	0.4
60.08167	7.0
67.05483	1.1
69.07063	0.4
69.58401	0.6
69.58817	1.6
70.06602	3.5
71.07383	2.6
72.08141	1.0
74.43487	0.3
79.05495	0.6
81.07066	1.4
84.04504	0.4
84.08155	2.2
86.09708	30.5
91.05472	1.2
93.07043	1.1
95.08605	1.1
97.06514	0.3
98.21497	0.4
98.98466	2.5
100.61685	0.3
104.10749	10.9
105.07023	0.3
107.08570	0.5
109.10156	1.3
110.07188	0.7
117.07034	0.3
119.08543	0.6
120.08118	3.3
120.08996	0.4
121.08443	0.3
121.10091	0.3
122.02734	0.4
125.00003	19.1
129.10263	0.9
137.09621	3.0
143.11620	0.3
159.11673	0.4
165.09108	1.0
169.10103	0.3
184.07344	100.0
185.07721	0.6
275.20016	0.6
285.18347	0.8
426.22372	0.4
434.22876	0.7
452.24164	7.5
453.24026	0.3
470.25620	1.7
470.37103	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29617	0.4
51.40818	0.5
56.05029	0.6
57.86039	0.5
60.08166	5.0
66.88229	0.4
70.06591	2.7
70.65537	1.5
71.07365	2.0
72.08139	1.0
81.07014	0.6
84.08131	1.0
86.09705	33.3
95.08549	0.5
95.71648	0.5
97.05070	0.5
98.98464	2.5
103.05461	0.5
104.10767	3.6
107.04283	0.4
111.98869	0.5
114.79208	0.4
120.08080	0.8
125.00008	21.3
131.04890	0.7
145.85039	0.4
173.41162	0.5
178.32059	0.5
184.07339	100.0
185.07578	0.8
197.96992	0.5
206.91432	0.5
241.08649	0.5
452.23792	1.5
470.25027	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2514
Annotation	12-O-Nicotinoyllineolon
Peak:m/z	Relative Intensity
50.50766	0.5
55.05513	1.8
56.05042	1.9
57.03441	1.0
58.06612	1.5
60.08163	15.2
67.05501	2.3
69.07055	1.3
69.94413	2.2
70.06594	7.5
71.04969	0.6
71.07377	6.7
72.08154	6.7
79.05495	1.1
80.20454	0.6
81.03436	0.6
81.07055	3.9
83.08664	0.9
84.04492	1.3
84.08146	4.6
85.10291	0.5
86.09705	51.9
91.05466	1.3
93.07034	2.5
95.08582	0.9
97.06510	0.9
98.09676	0.7
98.98463	2.9
104.10744	94.1
106.37074	0.5
107.04981	1.3
107.08610	1.1
110.07167	1.6
117.07079	0.6
120.08083	1.7
121.10014	0.7
125.00003	27.4
129.10228	2.8
131.08556	0.6
133.10152	1.1
143.11809	1.1
159.11647	0.6
182.15416	1.1
184.07339	100.0
210.14822	0.6
230.67101	0.6
248.96326	0.5
258.10931	1.1
269.17551	1.1
324.11334	0.6
337.21332	0.8
434.23056	5.3
452.24097	45.6
463.30795	0.8
470.25302	4.3
471.08865	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55408	0.3
55.05511	0.6
56.05019	0.9
58.06603	0.5
60.08160	8.3
67.05489	1.0
69.07067	0.6
70.06250	0.4
70.06594	5.8
70.84871	0.7
71.07372	3.4
72.08147	1.3
74.06105	0.4
79.05470	0.8
81.07040	1.1
83.06052	0.3
84.04488	0.5
84.08137	1.9
86.09703	37.0
91.05466	0.8
93.07035	0.6
95.08609	0.4
97.06496	0.8
98.98457	3.2
104.10744	12.5
105.07012	0.4
107.04973	0.6
110.07133	0.7
115.08646	0.3
120.08066	0.8
125.00001	22.8
129.10243	1.0
133.06450	0.3
136.07565	0.3
142.85927	0.3
143.01045	0.5
152.40019	0.3
167.06960	0.4
169.13350	0.8
170.02942	0.3
184.07336	100.0
185.07664	0.5
195.13911	0.4
197.12877	0.4
226.23369	0.4
236.71930	0.4
275.99420	0.4
328.22269	0.6
434.23108	0.7
452.24045	5.2
470.25269	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	470.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.6
55.05509	2.3
56.05024	1.5
57.03431	1.5
58.06600	1.7
60.04502	0.5
60.08157	16.2
62.06078	2.2
64.18728	0.5
67.05495	3.3
69.03425	1.3
69.07066	1.6
70.06585	11.4
70.85178	0.5
70.85499	0.8
71.04984	0.7
71.06963	0.8
71.07359	7.2
72.04516	1.0
72.08148	3.4
79.05489	1.9
81.03421	2.0
81.07040	4.5
83.04986	1.0
83.06050	0.6
83.08598	1.2
84.04488	1.7
84.08133	2.8
85.02884	1.7
86.06057	0.6
86.09697	52.8
88.04024	0.5
88.07594	0.5
91.05455	3.8
93.07031	2.4
95.04964	2.0
95.06076	1.7
95.08596	1.4
96.84070	0.5
97.02884	0.5
97.06532	0.6
97.10158	0.6
98.06049	1.0
98.97592	0.6
98.98443	2.8
100.07616	0.5
100.11239	0.7
104.10732	100.0
105.07013	0.5
105.11089	0.8
107.04940	14.3
107.08602	1.5
109.06528	0.5
110.03523	1.1
110.07152	1.7
112.05073	0.6
112.08761	0.6
116.07076	1.7
116.98656	0.9
120.08057	0.9
121.06521	0.9
121.10130	0.8
124.99986	24.1
127.06146	2.8
128.04581	1.5
129.10229	1.3
131.08513	0.8
133.10112	0.8
143.11772	1.1
147.08028	0.5
149.13167	0.5
159.11600	0.6
161.01289	0.5
163.01561	0.7
163.03931	0.7
171.11313	1.3
184.07320	89.7
185.07784	0.8
191.08105	1.1
192.08453	1.2
193.12215	1.6
204.06441	0.6
208.81287	0.4
210.14845	4.7
216.45636	0.5
228.15929	1.3
229.15544	1.1
242.14932	1.8
251.16380	0.5
254.17548	0.6
258.11020	0.9
259.10300	1.1
267.15796	1.1
285.16965	1.7
302.19571	2.8
308.13306	1.6
320.16434	0.8
320.20596	2.3
338.16965	0.9
346.22211	10.2
361.11310	0.5
364.23187	0.9
383.62012	0.5
434.22961	4.4
452.24030	18.3
452.33157	1.2
453.24377	0.8
470.16202	2.1
470.24881	14.7
470.32932	0.8
470.34097	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.8
53.03937	0.7
55.01863	0.8
55.05495	1.6
56.96518	0.6
57.86657	0.6
61.02901	0.6
65.03930	3.9
66.04717	1.8
67.05492	1.8
69.03414	2.1
70.06587	4.7
71.04971	1.8
72.08144	0.9
77.03934	1.0
81.03413	0.8
83.04965	2.3
83.08607	0.6
84.04479	1.4
84.08122	1.9
84.28691	0.7
85.02897	5.8
86.09706	1.0
91.05468	0.7
93.03386	1.6
94.04188	1.8
95.04977	3.5
97.02881	2.3
99.04437	1.1
105.03367	1.8
107.04939	5.8
108.05297	0.7
109.02863	1.2
110.07156	1.1
111.04420	3.5
117.05453	1.3
120.08114	0.6
121.02853	1.7
122.03642	6.4
123.04416	100.0
127.03904	1.4
129.09003	0.7
129.10228	0.8
135.06577	1.0
139.03899	7.2
140.04681	1.4
145.04916	0.7
146.05933	0.7
149.70045	0.7
150.99120	0.9
157.04987	1.8
157.32838	0.6
168.06505	1.1
169.00200	0.7
178.47479	0.7
180.08731	0.9
237.02791	1.0
255.71646	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.7
53.03928	0.8
56.04990	0.8
57.03410	1.0
58.71010	0.7
60.04519	0.9
65.03931	5.3
66.04723	1.8
67.05492	1.7
69.03410	2.2
70.06578	5.4
71.04976	1.8
71.59255	1.1
72.08136	1.3
77.03913	1.2
80.58530	0.7
81.03388	1.8
82.06546	0.8
83.04967	2.0
84.08128	1.5
85.02888	5.0
86.09685	2.1
90.98370	0.8
91.05485	1.1
93.03394	2.5
94.04187	2.7
95.04954	2.9
97.02890	2.0
99.04469	1.8
105.03362	1.6
107.04942	9.3
108.05253	1.2
109.02885	1.3
111.04434	3.3
117.05510	1.4
120.08034	1.9
121.02850	1.5
122.03638	9.3
123.04416	100.0
127.03951	1.0
129.10202	0.8
139.03896	6.9
140.04672	1.0
146.06012	1.4
150.99161	1.5
152.40305	0.8
157.04945	2.1
171.23825	0.7
208.99733	1.4
219.01801	0.8
237.02698	1.1
238.03165	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3312
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
50.86049	1.1
51.08532	1.0
53.02934	1.0
53.03950	1.3
55.05505	15.2
56.95227	1.1
57.07061	3.2
67.05497	9.4
68.70987	1.1
69.07064	12.3
69.60184	6.7
79.05481	8.2
81.07056	21.4
83.04974	100.0
83.08607	3.1
85.02873	1.2
91.05468	10.9
93.07042	16.5
95.04948	2.7
95.08596	16.0
97.10149	1.9
99.08071	1.3
105.07027	26.5
107.08581	18.4
109.06473	2.5
109.10149	14.7
117.07039	5.3
119.08580	12.6
121.06442	1.4
121.09303	2.2
121.10137	31.8
123.11703	12.8
125.09610	1.9
128.06200	1.5
129.06985	3.8
131.08563	14.8
133.10115	10.0
135.07991	1.3
135.11691	10.6
137.13263	3.0
141.06989	2.1
141.37411	1.0
142.07756	2.3
143.08543	11.4
144.09273	1.6
145.10107	16.7
147.08037	1.3
147.11702	11.0
149.09644	2.3
149.13243	5.7
155.08493	5.3
156.09367	2.4
157.10121	10.6
159.11702	16.5
159.12892	2.1
160.97203	1.1
161.09612	1.7
161.13283	8.0
163.11215	1.2
163.14812	8.4
169.10100	9.3
171.07655	1.0
171.11681	9.3
173.09636	1.4
173.13263	6.0
175.11169	2.1
175.14854	3.7
177.16431	1.3
181.10112	1.5
183.11690	4.8
185.13199	8.5
187.11238	2.3
187.14818	7.3
189.12822	1.3
189.16368	1.8
191.10590	1.4
195.11649	1.7
197.13187	7.3
199.14742	5.3
201.16359	5.7
203.10637	1.4
203.14330	1.9
203.17897	1.8
205.12201	3.5
205.15833	1.6
209.13275	1.7
211.14854	3.4
213.16422	1.9
215.10683	1.9
217.12268	1.7
217.15729	1.4
219.17476	1.7
221.18935	1.2
223.14804	1.7
224.95836	1.1
225.16396	2.1
227.14388	1.2
227.18266	1.3
231.13727	3.3
237.16319	2.6
239.17915	1.7
241.19499	1.2
243.13779	4.5
245.15437	1.7
249.14748	1.6
251.17810	2.0
257.15375	1.1
261.14883	1.7
267.21207	1.2
281.10745	1.6
285.18381	2.0
292.95291	1.1
303.19617	2.3
307.24335	7.8
309.25656	2.3
318.47577	1.3
321.88370	1.2
322.11478	1.5
325.25269	4.9
335.23480	2.0
353.24689	15.8
371.25800	22.0
395.25659	1.1
405.31250	2.3
423.32599	1.7
433.31097	2.6
451.32080	9.5
469.13806	1.1
469.23654	1.1
469.26126	1.8
469.33099	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	11.2
55.01859	11.3
55.05497	18.0
57.03431	5.4
57.07077	8.0
57.34391	3.7
61.02910	7.0
67.05499	38.5
68.99786	5.9
69.03423	32.0
69.07059	29.4
69.42538	23.6
69.42968	14.0
70.06595	5.3
71.01368	4.4
71.04984	13.5
73.02911	10.8
79.05477	32.4
80.18826	4.0
81.03409	36.3
81.07047	72.8
83.04982	15.1
83.08607	14.5
85.02905	59.3
85.06549	5.5
87.00804	23.7
91.05470	39.6
93.06470	6.2
93.07039	100.0
95.04947	21.1
95.08598	68.6
97.02895	23.0
97.06506	6.8
97.10143	4.0
99.04440	14.5
103.03954	6.1
105.01864	16.6
105.04523	4.5
105.07024	64.7
107.04935	14.8
107.08589	69.7
109.02863	23.4
109.06499	16.1
109.10145	66.0
111.04425	8.4
111.08044	23.1
115.03919	6.9
115.81013	4.3
117.07005	12.2
119.08569	83.2
121.06460	9.2
121.10143	37.5
123.04387	6.0
123.08048	14.1
123.11695	17.9
125.09620	27.8
127.03895	29.8
129.01849	7.4
129.05449	4.3
129.06978	11.2
131.08543	25.9
133.06476	6.4
133.10138	35.9
135.08116	5.9
135.11729	20.8
137.05901	4.8
137.09648	12.9
139.11191	6.2
142.07838	4.8
143.08563	13.7
145.04967	8.0
145.10104	33.2
147.08049	9.6
147.11678	81.2
149.09610	10.7
149.13211	7.9
151.11169	8.1
155.08553	5.0
157.10118	15.4
157.94960	4.5
159.02895	11.9
159.11665	22.9
161.09583	7.0
161.13263	17.2
163.11182	11.9
163.14879	8.2
165.09160	6.8
165.12721	10.5
169.10065	7.5
171.11588	12.9
173.09645	7.0
173.13208	15.7
175.11227	9.9
175.14879	8.4
177.12785	8.1
183.11681	6.3
185.13252	5.8
187.11174	5.3
187.14902	6.6
189.03712	4.5
189.12701	5.4
189.16330	6.2
191.10620	4.8
193.10101	4.2
195.11705	5.9
201.16331	16.6
203.14450	4.5
203.17937	46.2
207.11667	5.3
209.13335	7.4
213.16545	4.7
215.17897	8.4
219.17424	12.6
221.19022	15.7
231.05220	5.8
231.17438	10.0
245.18944	15.8
247.39444	4.7
257.19031	7.2
261.18515	6.7
311.19958	18.4
329.21002	17.9
366.78409	4.6
415.21042	10.9
416.91306	4.4
433.21967	15.8
449.85422	4.1
451.23029	14.9
469.24258	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	469.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	13.0
55.01867	12.9
55.05293	3.0
55.05511	27.2
56.96569	4.4
57.03431	9.0
57.07056	6.2
59.68962	3.6
61.02917	7.9
65.03939	4.0
66.05991	4.0
67.05219	3.6
67.05506	42.0
68.65002	3.9
68.99776	7.0
69.03432	30.5
69.07059	26.2
69.61416	26.5
70.04068	10.9
70.06589	6.4
71.01337	3.2
71.04966	6.1
72.08140	3.5
73.02909	10.0
79.05493	26.9
81.03426	31.7
81.07050	69.6
83.04967	20.3
83.08612	10.2
84.08116	5.9
85.02898	43.7
85.06525	4.2
87.00824	18.7
91.05474	57.3
93.07039	100.0
95.04958	29.0
95.08607	42.5
96.08117	4.3
97.02877	24.3
97.06528	9.0
97.10139	4.7
98.21478	5.1
99.04449	6.3
103.03913	5.8
105.01855	10.6
105.07032	49.0
107.04941	35.6
107.08599	49.1
109.02871	20.8
109.06464	10.7
109.10144	39.5
111.04411	5.6
111.08076	42.9
115.03945	5.1
117.07015	10.5
119.08573	48.6
121.06487	15.4
121.10117	38.1
123.11700	10.9
125.09634	12.2
127.03915	21.2
129.01868	4.4
129.06972	6.9
129.10260	4.6
131.08565	19.7
133.06409	3.8
133.10101	33.4
134.05991	4.3
135.08025	8.5
135.11687	18.5
137.09541	9.1
139.11104	5.3
142.07780	4.8
143.08569	8.2
145.04948	9.3
145.10110	20.2
147.08089	6.3
147.11694	35.6
149.09627	8.9
149.13158	5.1
151.07457	5.6
151.11168	4.9
157.10107	7.0
159.02901	7.1
159.11642	17.9
161.13255	16.1
163.11134	4.3
165.09108	5.3
169.10117	4.1
171.11684	8.6
173.09552	6.8
173.13306	10.6
175.14780	8.1
177.12666	5.2
177.16463	4.0
179.10582	3.9
183.11617	4.0
187.11197	4.7
187.14804	4.2
189.16328	6.7
201.16417	5.2
203.17941	35.8
213.16298	6.3
215.17896	8.3
219.17413	8.9
221.18999	7.1
243.17334	4.2
245.18977	10.1
308.15146	6.1
311.19965	8.2
329.21194	7.4
433.22153	5.3
451.23328	6.6
451.30743	3.7
452.16199	4.1
469.23978	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	469.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.8
53.90829	3.1
55.01862	14.4
55.05506	30.6
57.03436	14.3
57.07064	11.7
59.04996	5.6
61.02906	10.5
65.03935	4.7
67.05499	43.1
67.74142	2.7
68.99780	16.7
69.03073	4.3
69.03425	57.2
69.06768	3.3
69.07066	36.1
70.06578	4.1
70.80135	3.7
70.80514	9.8
71.01344	4.4
71.04991	32.3
72.08151	3.4
72.54696	2.9
73.02895	9.6
79.05489	30.2
80.91695	2.7
81.03411	44.3
81.06574	5.0
81.07053	100.0
83.04967	12.1
83.08616	19.2
85.02422	4.3
85.02903	60.5
85.06527	5.0
87.00827	34.5
88.98669	2.8
91.05481	33.5
93.07037	65.6
95.04965	27.0
95.08604	84.5
97.02884	39.4
97.06510	11.5
97.10171	7.4
99.04435	10.0
99.08065	8.5
100.30766	3.6
101.02367	3.9
103.03929	7.3
105.01857	16.7
105.07028	73.1
107.04943	25.4
107.08594	67.0
109.02855	22.0
109.06499	11.4
109.10152	74.2
111.04441	12.7
111.08103	7.5
111.11701	4.6
115.03910	18.8
116.06232	3.3
117.01834	4.0
117.07030	16.3
119.04948	3.5
119.08573	73.1
121.06485	16.8
121.10136	57.8
123.04408	11.1
123.08063	15.8
123.11702	43.5
125.05931	4.2
125.09646	7.0
127.03903	26.1
127.11182	31.3
128.06207	5.8
129.01836	14.5
129.06975	10.5
130.07759	4.8
131.08562	30.4
133.06514	3.6
133.10121	57.2
135.04393	4.6
135.08041	10.1
135.11673	42.5
137.05945	8.4
137.09576	14.6
137.13229	14.4
139.11189	4.5
141.05315	3.1
141.06967	7.7
142.07771	7.0
143.08540	22.0
144.09225	3.7
145.04895	6.9
145.06487	3.6
145.10107	44.4
147.02861	8.8
147.08029	12.6
147.11685	44.4
149.09631	7.2
149.13249	25.3
151.11154	7.2
153.12711	12.2
155.08556	13.1
156.09378	3.8
157.10136	27.9
159.02864	9.9
159.08067	5.8
159.11668	60.0
161.09592	11.1
161.13246	28.2
163.07504	5.6
163.11165	11.0
163.14818	8.8
165.12733	8.5
169.10097	9.4
171.11700	23.8
173.09633	5.4
173.13261	14.1
175.11137	7.7
175.14792	8.9
177.12726	11.3
177.16341	8.7
181.10089	4.2
182.11015	4.3
183.11627	11.7
185.09586	10.0
185.13251	15.1
187.11176	8.2
187.14796	12.3
189.03893	8.2
189.09091	7.2
189.12787	8.2
189.16338	16.1
191.14294	5.3
191.17937	6.7
192.09386	5.1
193.15907	6.7
193.19510	5.5
195.11673	9.2
197.13243	11.6
201.03923	9.5
201.12753	11.7
201.16388	23.6
203.14253	2.8
203.17931	30.2
205.15837	3.5
205.19501	5.2
207.09996	4.8
207.11711	8.5
211.14819	3.7
213.12766	4.9
213.16341	7.2
215.17923	9.9
217.15854	3.1
219.04965	7.6
219.17358	16.4
221.18971	18.4
223.14722	4.1
225.12746	12.3
225.16440	3.5
227.14267	5.1
227.18010	8.4
229.15924	4.5
231.04829	4.1
231.13902	3.1
231.17482	9.4
233.19014	13.2
241.15935	8.7
243.13771	9.6
243.17422	5.9
245.18906	14.8
257.18924	5.9
263.20044	8.4
269.19037	6.0
274.41547	3.0
275.20236	5.2
287.20132	6.0
293.18936	6.1
305.21262	4.6
311.20129	24.3
329.21097	23.2
347.22104	5.8
378.20462	4.0
433.22089	15.8
451.23279	19.5
469.24335	25.5
491.37289	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	469.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65516	5.9
53.03940	13.1
55.01870	15.4
55.05510	37.8
56.96559	11.2
57.03438	14.2
57.07059	14.5
60.68279	5.6
61.02928	15.5
62.41474	6.2
67.05505	49.7
69.03434	65.4
69.07069	38.8
70.06590	10.0
71.04991	33.4
71.60108	7.0
72.08156	7.7
73.02914	7.4
79.05485	42.0
79.68881	5.9
81.03413	44.8
81.07054	100.0
83.04991	15.9
83.08617	22.2
85.02903	57.2
85.39841	5.7
86.09662	7.0
87.00833	25.8
91.05464	40.6
93.07055	70.5
95.04960	28.6
95.08609	90.3
97.02876	23.5
97.06522	14.3
97.10168	16.2
99.04456	18.2
103.03943	8.8
105.01871	7.5
105.07034	64.1
107.04949	56.7
107.08591	80.7
108.05283	10.6
109.02884	19.4
109.06509	16.5
109.10170	56.7
111.04453	10.9
111.08070	9.9
115.03900	11.7
117.07040	12.9
119.08582	59.1
121.06506	22.6
121.10139	68.6
123.04432	11.7
123.08095	22.6
123.11701	39.8
125.09605	14.8
127.03898	23.2
127.11175	11.0
131.08598	35.6
133.10150	58.2
134.09644	6.9
135.08051	12.3
135.11679	42.2
137.09644	13.6
137.13330	7.8
139.04002	7.2
139.07565	13.1
141.06889	7.0
142.07846	10.1
143.08562	20.8
145.10085	42.5
147.02899	9.9
147.08023	8.2
147.11682	46.5
149.09653	6.6
149.13252	27.7
151.64458	6.0
155.08549	12.6
157.10135	19.7
159.11681	44.4
161.09598	12.6
161.13297	22.4
163.07567	9.9
163.11221	8.6
171.11694	31.5
173.13281	7.8
177.09026	7.3
177.12793	8.8
181.10039	7.9
183.11755	12.1
185.13237	10.4
187.11227	9.3
187.14832	12.5
189.16402	25.1
191.10715	8.6
191.14328	10.0
195.11714	7.7
197.13234	7.8
201.03996	7.5
201.12766	7.9
201.16374	17.4
203.18042	34.6
209.13358	7.7
213.12788	7.0
213.16495	8.3
221.19034	16.7
223.38315	6.8
227.17990	7.4
241.15900	8.7
243.17329	7.6
245.19055	11.2
255.17731	7.4
257.18860	6.2
269.18939	7.3
311.19998	18.3
329.21136	17.7
365.16293	6.4
431.35376	7.4
433.21967	7.8
440.98834	7.0
451.23425	18.4
469.23688	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	469.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
55.05507	8.5
57.03444	7.1
65.03938	1.6
67.05505	32.7
69.07069	8.4
71.05036	0.8
79.05492	17.8
81.07050	23.7
83.08614	3.1
91.05471	7.2
93.07039	19.5
95.04979	1.7
95.08605	20.8
97.06546	1.6
97.10172	1.9
105.07019	5.2
107.08601	8.9
109.10148	6.6
111.08085	0.9
117.07008	1.7
119.08582	3.1
121.10143	5.4
123.11686	1.2
131.08563	2.2
133.10164	1.3
134.98189	100.0
135.11708	2.3
145.10098	1.8
147.11650	1.3
152.99225	3.1
170.99051	1.8
176.00908	1.8
189.00041	5.4
201.12627	0.9
209.01942	2.7
227.01668	3.4
259.76328	0.9
301.20123	2.8
301.52798	0.9
319.21274	1.6
335.25806	40.0
336.26199	1.0
357.23987	17.6
375.25024	2.3
469.23276	45.4
470.23785	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	469.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63175	0.7
53.03942	1.7
53.37247	0.8
55.05294	0.8
55.05517	8.0
57.03442	6.0
60.73170	0.7
65.03928	0.9
67.05508	32.8
68.30592	0.8
69.07070	7.4
69.76598	4.6
71.04993	1.0
79.05497	17.6
81.07059	23.8
83.08610	2.9
85.76422	0.7
85.85251	0.7
90.09142	0.8
91.05485	8.7
93.07050	16.3
94.75793	0.8
94.98392	0.8
95.04969	2.1
95.08608	22.0
97.06538	1.1
98.20836	0.9
103.17681	0.8
105.07039	5.2
107.08595	6.9
109.10157	6.3
119.08606	3.1
121.10146	5.3
123.11716	1.4
124.57161	0.7
131.08609	1.6
133.10121	2.0
134.98189	100.0
135.11705	2.5
142.11041	0.7
145.10107	0.9
147.11732	1.0
149.13223	0.8
152.99246	2.5
155.18552	0.7
159.11757	0.7
170.99052	2.0
176.00887	1.6
179.86757	0.7
189.00107	3.3
209.01883	2.2
227.01721	2.7
246.08705	0.8
301.20062	1.4
335.25809	35.4
336.26221	2.1
357.23962	14.7
375.24966	1.2
458.28513	0.9
469.23248	34.1
470.23447	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	469.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25136	1.0
52.34724	1.2
53.03939	4.8
55.01856	1.9
55.05508	1.3
55.81905	1.1
57.03434	2.1
69.03426	9.5
69.36125	7.3
69.36558	3.5
70.06596	8.4
71.05006	5.9
72.08154	1.9
81.03410	25.3
83.05001	5.5
84.04481	1.2
84.08153	1.5
84.34701	1.3
85.02924	1.6
86.09709	3.6
99.04451	11.1
101.70124	1.0
103.03945	2.0
104.10752	1.5
109.02897	10.2
117.05499	1.7
118.06532	2.4
120.08082	5.4
127.03924	2.6
129.10237	1.6
145.07597	4.0
147.09161	11.2
162.07841	1.8
163.08609	1.2
173.07082	9.1
175.08667	10.5
184.07368	3.3
191.08154	100.0
192.08418	1.2
197.27634	1.2
271.10901	2.1
289.11841	6.5
307.12888	36.2
325.13968	27.8
331.12909	7.2
349.13864	4.8
371.16003	1.9
386.80942	1.4
389.17123	2.6
397.13947	4.1
415.14822	10.2
433.16162	8.5
435.63513	1.1
451.17184	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	469.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.4
56.96561	0.5
66.04694	0.4
69.03436	0.4
70.06577	2.1
70.27827	0.4
70.28170	1.4
70.95848	0.9
71.04977	0.3
72.08145	0.6
72.93794	0.6
79.05473	0.8
81.03413	0.5
81.07040	0.5
84.04495	0.8
84.08139	0.8
85.02905	1.0
86.09693	0.9
86.96184	0.3
90.94836	0.3
91.05462	1.3
94.04182	3.2
95.04958	0.5
95.06059	0.5
97.02880	0.5
98.09660	0.7
100.11208	0.5
107.04931	2.3
107.43322	0.3
108.05267	0.5
110.07121	0.5
114.98442	0.3
119.04918	0.5
122.03632	7.3
127.03928	0.3
129.10252	0.6
132.95834	1.0
135.04411	0.3
137.05965	100.0
138.06284	1.2
144.95811	0.5
145.04982	0.4
147.04408	1.4
149.01125	0.3
153.05244	0.7
158.97398	1.2
159.04160	31.5
160.98964	1.0
162.96854	0.6
166.97891	0.4
168.95828	0.6
171.06270	24.1
176.98445	0.6
178.99986	0.9
180.07373	0.4
184.19231	0.3
184.98888	0.5
185.04185	4.7
195.04958	0.4
202.99979	1.2
203.05217	1.2
215.00002	0.7
216.97900	0.6
228.26666	0.3
233.09828	0.3
233.12744	0.4
234.99002	1.9
239.00072	1.8
249.08965	0.4
252.09370	1.5
253.00183	0.5
261.09930	0.4
305.03183	6.7
321.09323	0.4
323.04343	0.4
333.11530	6.6
339.10495	3.9
340.22260	0.6
407.16565	1.2
447.76227	0.3
451.32501	0.5
469.16730	24.9
470.16949	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3085
Annotation	1-heptadecanoyl-glycero-3-phosphoethanolamine
Peak:m/z	Relative Intensity
55.05504	4.7
57.03449	9.1
57.07075	31.9
58.07411	2.0
60.94522	1.7
62.06092	24.1
67.05500	6.0
69.07060	4.8
71.08636	25.8
71.51282	3.0
81.07050	10.3
83.08620	5.6
85.10183	18.2
85.52969	1.2
89.06034	5.8
95.08614	11.5
97.10184	4.3
98.98460	19.1
109.10173	3.1
117.94587	1.4
123.11677	2.8
133.08621	3.3
135.40785	1.5
137.13185	1.8
155.01045	21.5
177.11252	2.5
216.65894	1.4
283.17343	1.6
296.29419	12.8
313.27185	3.0
314.27710	24.6
327.28943	100.0
328.29123	3.7
407.25412	5.1
450.26828	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	468.3086
Annotation	Buprenorphine
Peak:m/z	Relative Intensity
56.05019	1.6
57.07085	3.5
58.06592	1.2
59.07396	0.5
60.08165	16.9
61.83856	0.6
67.05505	1.0
69.07071	0.8
69.53765	1.0
69.54166	4.0
71.07377	6.3
71.08629	2.0
81.07066	1.4
85.10198	1.0
86.09708	43.4
95.08604	1.6
98.98475	3.1
104.10747	100.0
105.11063	0.9
106.50307	0.5
109.10173	0.7
124.99090	1.3
125.00008	24.9
133.12030	0.6
143.01007	0.7
163.01558	0.6
184.07346	93.0
188.92430	0.7
226.93982	1.1
241.89728	0.6
258.11099	1.2
285.24310	2.0
375.79675	0.7
391.23328	0.6
450.29800	8.9
465.68033	0.6
468.30884	20.7
468.37558	1.0
469.14487	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	469.079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.93521	2.5
56.94304	2.8
56.96556	2.2
61.02909	1.0
64.19241	0.9
67.05508	1.2
67.24051	0.9
69.03419	4.9
69.07078	0.9
70.06590	8.0
70.95856	2.7
71.05005	1.4
71.59467	1.4
71.92988	1.0
72.08160	1.2
72.93781	11.1
73.02919	1.3
73.94607	0.9
79.05514	0.8
81.03415	6.1
81.07059	1.0
84.04494	1.5
84.08135	2.9
84.39384	1.0
85.02909	7.1
86.09708	4.2
88.96891	2.0
90.94827	9.5
91.05475	72.0
92.05815	2.9
97.02884	3.2
97.06562	1.5
99.04442	1.9
103.03949	1.8
104.10736	2.1
105.07008	1.3
107.04955	6.1
108.95849	1.5
109.02882	2.6
110.07137	1.6
113.39991	1.1
116.98598	1.3
117.06997	1.6
120.08076	1.0
121.02838	4.5
123.08175	1.0
127.03954	2.7
128.96313	2.5
129.06908	0.9
130.97897	1.9
132.95822	13.9
134.97429	1.5
136.95351	1.2
140.96306	1.2
144.95816	11.3
145.05013	1.6
146.97401	2.6
148.98959	3.2
149.96097	1.1
150.96902	15.2
152.55922	0.9
156.95822	2.6
158.97397	23.9
161.63216	0.9
162.96887	14.3
164.99976	2.9
168.95840	4.6
170.97414	3.0
172.98961	1.3
174.96883	13.2
176.98463	18.5
176.99901	1.3
178.96416	2.1
180.99469	1.9
183.14455	0.9
184.07349	3.1
184.98926	1.0
186.96899	8.0
187.97569	1.4
188.98492	4.1
192.97931	3.1
192.99524	3.6
195.01047	3.6
198.96819	4.4
200.98436	11.9
204.97923	5.8
207.01044	3.0
210.96918	1.2
215.97244	1.2
216.97931	12.4
218.99464	3.6
219.01292	1.4
221.02440	1.2
223.00551	5.8
228.97961	1.3
232.97488	1.6
234.98930	26.5
239.99521	1.8
240.97899	1.7
241.01445	5.1
247.00587	1.8
249.02032	1.9
252.97826	1.8
253.00139	4.1
258.98822	5.6
259.09586	1.2
265.01563	13.9
276.99930	13.9
279.01535	0.9
281.10666	2.1
282.99039	1.7
301.00052	2.0
307.02673	3.9
309.57782	0.9
319.01324	1.3
325.03671	100.0
326.03796	4.9
338.54214	1.0
343.04773	1.5
348.05524	1.3
361.02274	1.5
366.06305	4.4
367.04733	29.0
367.09323	1.5
368.04886	1.1
391.04913	1.0
405.16623	1.3
409.05930	3.8
451.21689	7.9
469.13455	2.3
469.24326	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	468.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98418	0.4
57.07070	0.9
58.06621	0.7
60.08160	6.1
68.61719	0.4
69.72029	2.2
69.72446	0.9
71.07372	2.6
75.84813	0.4
79.05499	0.4
81.07056	0.6
82.19938	0.5
86.09705	30.5
86.71464	0.4
87.10033	0.5
93.06982	0.4
95.08592	0.8
98.21478	0.8
98.98446	2.2
104.10755	2.3
105.07083	0.4
125.00007	21.5
126.31540	0.4
149.89011	0.4
156.73753	0.4
184.07338	100.0
185.07481	0.6
226.87428	0.5
287.23312	0.4
383.32880	0.5
431.11768	0.4
450.29980	1.0
468.30893	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.9
56.05040	2.3
57.03440	0.8
57.07073	4.9
58.06599	100.0
59.06930	0.9
67.05509	1.1
69.07073	0.7
70.72142	1.1
71.08631	3.1
76.07638	5.1
81.07064	1.3
83.08633	1.4
85.10204	1.8
90.96165	0.4
95.08617	2.1
97.10207	0.5
98.98489	1.2
109.10166	0.8
155.01135	1.0
160.12863	0.4
188.33627	0.4
230.07928	0.9
250.79332	0.5
313.27365	24.5
314.27765	2.7
432.13931	0.5
450.29840	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	0.2
51.02371	0.3
51.95221	0.2
52.27634	0.2
53.03935	0.6
55.05500	0.2
57.07073	0.9
65.03921	0.2
67.05502	1.7
68.05831	0.3
70.04073	0.4
70.07917	0.6
70.08321	0.4
71.08622	0.3
77.03902	0.4
79.05490	4.0
81.07051	0.4
82.07376	0.3
83.08591	0.3
85.10184	0.2
89.06014	0.3
91.05473	0.4
95.04976	1.4
95.08568	0.4
98.20790	0.3
103.05463	3.0
105.07025	100.0
106.07343	1.4
109.10167	1.1
110.10503	0.4
119.08596	0.2
121.06498	0.3
127.62180	0.2
131.08586	0.4
147.08083	0.6
165.09093	2.0
173.11732	0.5
225.12708	0.4
241.12321	0.8
251.14316	0.6
253.15839	1.2
269.15372	3.7
277.09836	0.2
301.15915	0.3
329.18848	0.3
345.18445	1.4
468.28879	0.4
468.37732	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17950	0.2
55.01881	0.2
55.05506	0.3
56.05031	1.2
57.03442	0.3
58.06620	0.9
59.07391	0.3
60.04525	0.4
60.08163	8.6
67.05507	0.6
69.07068	0.3
70.02577	0.8
70.02984	0.3
70.06597	3.5
71.04988	0.3
71.06963	0.4
71.07363	3.0
72.08143	1.4
72.92902	0.3
74.06094	0.3
76.85264	0.2
78.52525	0.2
79.05505	0.7
81.03414	0.9
81.07044	0.5
83.04958	0.4
84.04506	1.0
84.08130	1.8
85.02904	1.0
86.09704	38.3
87.10035	0.5
91.05482	0.6
93.07048	0.3
95.04969	0.6
98.98454	3.0
102.05491	0.3
104.10741	20.1
105.07031	0.9
107.04965	1.1
110.07179	0.7
119.08586	0.5
120.08088	0.8
125.00002	23.7
129.06981	0.3
129.10237	0.8
129.25050	0.2
130.05009	0.2
133.06519	0.5
136.06291	0.2
136.07507	0.3
143.01083	0.5
173.12796	0.2
176.09346	0.4
184.07336	100.0
185.07767	1.1
185.09296	0.2
191.83562	0.3
258.10956	0.4
285.16931	0.3
295.09079	0.3
327.17950	0.4
450.22552	2.3
468.23590	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	468.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.0
56.05032	1.8
56.96566	0.5
57.03445	0.6
58.06611	0.9
60.04522	1.0
60.08164	9.6
67.05492	1.1
69.03442	0.5
69.07060	0.4
69.71065	1.0
69.71490	1.0
70.06591	9.0
71.04967	0.3
71.07371	4.2
72.08151	2.7
74.06081	0.8
79.05483	1.0
81.03399	0.9
81.07053	0.9
83.04981	0.4
83.06141	0.5
84.04507	2.0
84.08137	3.7
85.02903	1.2
85.08456	0.3
86.09705	41.9
87.10020	0.9
88.03982	0.5
91.05483	1.0
93.07037	0.5
95.04965	0.6
95.08598	0.5
98.09700	0.5
98.20715	0.4
98.98466	3.6
102.05563	0.5
104.10744	26.9
105.07021	0.5
105.11072	0.5
107.04947	2.0
107.08595	0.5
109.10173	0.3
110.07166	2.4
119.08586	0.5
120.08110	1.3
125.00005	26.2
129.10243	2.0
130.04993	0.7
131.04918	0.4
131.08551	0.3
133.06470	0.9
136.07542	0.5
143.01070	0.6
147.11794	0.3
162.90695	0.3
176.09293	0.7
184.07341	100.0
185.07684	1.2
210.14923	0.3
253.12993	0.3
258.11072	0.4
277.70935	0.3
285.16806	0.3
327.18021	0.7
450.22513	2.9
468.23605	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	468.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52493	0.3
55.05504	0.4
56.05023	0.8
57.03428	0.4
58.06605	0.5
60.07880	0.5
60.08165	6.9
67.05502	0.4
69.83389	1.7
70.06584	2.4
71.07375	2.6
72.08157	0.4
79.05485	0.8
81.07040	1.1
83.08614	0.6
84.08125	1.3
86.09708	36.2
91.05475	0.4
93.07025	0.5
95.08596	0.6
97.06493	0.3
98.09693	0.5
98.20808	0.4
98.98465	3.0
100.11250	0.8
104.10748	4.0
105.07023	0.5
107.04958	0.7
110.07163	0.7
116.99465	0.3
119.08578	0.4
120.08082	0.3
125.00005	21.8
128.07063	0.3
129.10271	0.8
132.31082	0.4
135.07948	0.3
143.01028	0.6
159.07176	0.3
169.89458	0.3
184.07343	100.0
185.07693	1.0
208.44170	0.3
210.14923	0.5
217.97720	0.3
319.11554	0.3
350.79904	0.3
450.22491	0.5
468.23444	2.0
469.20282	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88359	0.4
55.05504	1.1
56.05025	1.0
57.03424	0.6
57.07061	0.6
58.06603	1.1
59.04989	1.1
59.07377	0.5
60.08165	13.2
67.05483	1.5
69.07051	0.9
70.06589	3.0
70.25669	1.7
71.04961	0.7
71.07365	4.9
72.08151	0.8
78.68832	0.4
79.05478	1.0
81.07056	4.0
83.08614	0.6
84.08119	1.0
85.02890	0.5
86.09705	44.5
87.10017	0.6
91.05476	1.3
93.07024	1.5
95.08607	1.9
97.06465	0.5
98.98474	3.5
99.08103	0.6
102.05597	0.4
104.10743	76.3
105.07046	2.3
105.11028	0.5
107.04967	0.8
107.08548	0.6
110.07164	0.7
119.08569	1.7
120.08102	0.5
121.10152	1.1
122.02753	1.1
123.11713	1.6
125.00006	26.8
126.42719	0.4
129.10260	0.8
133.10109	0.7
143.01079	0.5
145.10083	0.6
147.11711	2.4
157.10081	0.8
163.11311	0.5
165.12701	0.5
180.88107	0.4
184.07339	100.0
185.07747	1.3
189.09171	0.6
191.10738	0.5
249.82901	0.5
258.11090	1.0
267.15671	0.4
285.17001	0.5
329.21091	2.3
347.22241	0.5
438.83713	0.4
450.22546	6.2
451.22311	0.5
468.23572	15.8
469.24133	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	468.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.3
55.05514	0.6
56.05033	0.6
57.03433	0.4
58.06358	0.2
58.06621	0.5
60.08167	6.1
60.08477	0.3
62.06094	0.5
67.05515	1.5
69.03455	0.2
69.07072	0.5
69.55164	0.8
69.55575	0.3
70.06598	1.8
71.07375	3.0
72.08157	0.7
73.65639	0.2
79.05492	1.0
81.07071	1.7
83.04966	0.2
83.08608	0.3
84.04510	0.4
84.08136	1.0
85.02917	0.2
86.06110	0.2
86.09709	34.1
87.10033	0.4
91.05478	1.2
91.99615	0.2
93.07040	0.9
95.08624	0.8
97.06531	0.3
98.06037	0.2
98.98463	3.8
100.11296	0.2
104.10741	3.8
105.07053	0.8
107.04957	0.6
107.08598	0.8
109.10155	0.3
110.07173	0.6
117.07008	0.4
119.08607	0.7
120.08111	0.7
121.10155	0.3
123.11754	0.3
125.00011	22.8
129.10236	0.4
131.08537	0.3
133.10161	0.4
143.01056	0.4
147.11679	0.5
155.01062	0.2
156.07701	0.2
184.07349	100.0
185.07666	0.8
191.08163	0.2
199.14836	0.3
217.15973	0.3
228.94041	0.7
229.14192	0.2
235.16948	0.3
246.95142	0.3
258.11050	0.4
260.20074	0.2
285.17072	0.2
291.19559	0.7
294.98978	0.2
309.20615	1.3
358.17639	0.2
414.20367	0.9
432.21509	1.3
450.22650	1.1
468.23773	2.3
469.19803	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.05257	0.8
55.05503	9.6
57.03428	1.7
57.07070	37.5
59.04992	3.7
65.03933	2.8
67.05496	100.0
68.05816	0.8
69.07059	8.5
70.72800	0.8
70.73165	1.3
71.04992	2.7
71.08223	0.7
71.08624	23.7
79.05484	3.1
81.07047	27.0
83.08611	14.3
84.10096	0.5
85.06543	3.6
85.10173	14.0
91.05467	5.3
93.07039	3.8
95.08597	27.2
97.10149	5.1
99.08088	1.0
99.11754	1.1
107.08582	1.7
109.10142	74.8
110.10489	0.8
111.08073	2.3
111.11683	1.1
119.08582	4.6
123.11694	5.2
125.13297	1.0
137.09599	3.3
137.13223	1.8
139.14838	0.8
151.14870	0.9
155.10628	4.4
173.11711	26.6
179.18079	0.6
187.13370	0.5
187.41219	0.5
188.02472	0.6
221.22656	0.5
239.23619	7.7
240.24072	0.7
467.37289	81.5
468.37753	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	468.0224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93534	2.0
56.96557	3.3
69.63890	11.3
70.06592	2.4
72.93745	3.5
79.05490	2.5
79.79335	1.7
89.03909	8.2
101.56687	1.5
107.04933	6.3
116.98680	2.1
117.03360	10.0
120.08081	1.8
123.04451	2.9
135.04390	24.4
144.95808	2.9
145.02884	12.4
148.96782	1.9
149.05991	2.5
155.78484	1.8
158.97311	1.8
162.96896	2.1
163.03897	100.0
164.04216	3.6
178.97885	2.5
206.97339	2.2
216.95799	2.4
224.98465	4.3
234.96889	22.1
236.98473	2.1
237.00766	2.0
248.94882	5.1
252.97951	70.5
253.98280	2.5
266.95865	4.9
272.98660	2.4
276.07669	2.6
276.97906	13.6
280.97552	1.9
288.97931	5.3
294.99109	3.7
309.00568	4.5
313.00134	5.2
334.98404	2.1
337.00119	3.5
362.98004	4.8
364.99704	1.9
383.00641	3.0
390.97278	9.0
408.98489	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	467.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79665	0.5
57.07074	2.5
60.75682	0.5
67.05501	6.6
69.07051	0.8
69.69519	3.2
71.08627	1.6
81.07047	2.3
83.08605	0.8
85.10138	1.0
87.05376	0.5
91.05479	0.6
95.08616	1.5
102.62257	0.5
105.07024	1.7
109.10147	4.5
133.10126	1.1
173.11758	1.4
202.97894	0.5
205.82152	0.5
228.54301	0.5
336.34036	0.6
467.34955	100.0
468.35123	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	467.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81979	1.2
55.05505	13.3
57.03413	1.5
57.07074	35.1
57.61522	1.2
59.04998	2.8
61.65313	1.1
65.03940	1.2
65.66166	1.2
67.05501	100.0
69.07058	8.9
70.66836	1.3
71.04981	2.9
71.08629	21.5
71.60374	2.2
74.36800	1.1
79.05491	4.4
81.07055	26.6
83.08617	15.4
85.06557	2.7
85.10175	12.0
89.06028	2.2
91.05494	5.8
93.07051	2.5
95.08038	2.2
95.08604	23.7
97.10162	5.1
101.32738	1.2
107.08553	1.6
109.10149	72.4
111.08083	3.2
119.08571	5.6
123.11694	4.5
125.13228	1.2
137.09615	1.8
151.14650	1.2
155.10654	3.3
157.40729	1.4
173.11720	21.9
173.22943	1.1
239.23680	8.9
241.19974	1.0
467.37335	80.0
468.37936	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	467.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	5.9
56.99059	2.2
57.03448	12.2
57.07075	38.0
57.69630	2.1
59.67226	3.0
67.05497	11.6
69.07073	8.9
71.08630	23.4
71.59751	3.1
72.97777	2.5
79.05492	3.1
79.74622	2.5
81.07052	12.0
83.08607	8.0
85.10184	13.5
87.35555	2.3
89.06059	3.3
95.08602	16.4
97.10171	2.6
98.98469	37.7
100.20486	3.1
109.10166	9.1
123.11688	3.4
131.75574	2.4
136.99995	4.1
155.01044	47.0
188.69608	3.2
190.96333	2.6
198.76508	2.7
235.60854	2.6
239.23785	4.0
240.49777	2.8
255.35551	2.8
313.27350	100.0
326.27750	9.0
449.26633	11.2
467.37231	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	467.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79881	0.3
55.05445	0.4
56.96491	18.5
56.96804	2.5
65.09813	0.3
67.05444	0.6
70.06480	0.5
70.95006	0.8
71.95184	2.6
72.95964	1.4
72.96327	0.5
81.06973	0.7
81.23836	0.3
86.09570	0.3
91.05406	0.4
92.71881	0.3
97.96727	0.4
105.06967	0.5
110.97533	0.4
119.08479	0.4
123.01135	0.6
128.98514	0.7
137.02670	0.8
141.02155	0.5
146.99571	1.0
151.00558	0.4
155.03722	1.2
169.05354	0.9
185.04880	0.4
197.08479	1.1
223.10001	2.2
235.09946	2.2
241.11108	23.5
242.11389	0.5
253.11107	48.1
254.11497	0.6
259.12177	42.3
260.12402	0.5
264.12735	1.6
271.12158	100.0
272.12540	1.0
276.12732	1.5
277.13217	0.7
282.13879	1.7
289.13208	7.1
294.13785	8.0
312.14764	0.6
467.26776	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	467.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56697	1.0
55.05508	5.7
57.03426	8.8
57.07076	35.2
67.05507	11.8
69.07067	6.4
71.08233	1.6
71.08630	25.7
71.51748	2.4
79.05479	1.5
81.07050	13.6
83.08614	9.2
85.10184	14.0
95.08607	16.6
95.09170	1.7
97.10168	3.8
98.93915	1.1
98.98468	48.2
109.10139	7.4
115.82759	1.1
116.99506	2.8
123.11691	2.8
131.16139	1.1
136.99953	4.0
137.13261	1.5
155.01044	51.3
193.02625	1.7
211.03609	2.3
212.03499	1.1
229.04784	1.9
239.23703	7.2
257.24939	1.6
313.27356	100.0
314.27905	1.7
393.24075	1.9
449.26596	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67808	0.5
55.05502	0.8
56.96566	22.2
58.09864	0.5
67.05492	2.2
70.06583	1.1
71.59273	0.7
71.95263	2.7
72.95996	1.1
75.42570	0.5
79.05458	1.3
81.07049	1.7
82.85935	0.5
84.04491	0.8
84.08141	0.7
84.96017	0.5
89.41763	0.5
91.05473	1.8
93.07038	1.7
95.08586	1.1
105.07017	1.5
107.04960	0.9
107.08575	1.5
108.61504	0.6
109.10135	1.1
119.04917	0.9
119.08558	1.3
120.08088	0.5
123.01154	0.8
123.11728	0.6
128.98570	0.7
131.08556	0.5
133.10155	1.1
137.02748	1.5
141.02170	0.6
146.99628	1.2
147.04391	2.4
147.11659	0.7
148.86490	0.5
151.11195	1.2
152.79510	0.5
155.03780	1.5
159.08099	0.5
169.05394	1.2
172.95140	0.5
175.11333	0.5
175.43779	0.6
176.23996	0.6
195.06879	0.9
197.08522	1.2
223.53445	0.5
224.49889	0.5
235.09946	5.6
253.11110	57.3
254.11526	1.8
271.12167	100.0
272.12509	1.0
276.12799	4.8
289.13217	16.4
294.10498	0.6
294.13754	9.7
297.36401	0.5
312.14822	1.4
329.84924	0.6
467.26752	6.0
467.37329	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	25.2
57.07047	0.9
67.05486	1.5
69.07057	1.2
71.59377	0.9
71.95255	4.1
72.96040	1.0
74.97597	1.8
79.05482	1.1
81.07027	1.1
83.08636	0.5
84.96007	2.1
88.85563	0.5
89.14453	0.5
91.05455	1.1
93.07026	0.6
97.46707	0.5
97.96800	0.9
98.97576	1.0
105.00145	0.5
105.07025	1.0
110.97557	2.7
115.97845	0.8
116.98623	1.1
117.06987	0.6
123.01186	0.8
128.98590	8.5
133.10045	1.0
133.98859	1.4
134.99609	0.8
137.02742	0.8
141.02132	0.7
143.00084	0.7
146.99643	16.1
147.03265	0.5
149.01170	0.6
149.02313	0.7
152.00150	0.9
155.03821	1.4
161.01231	3.0
161.04831	1.0
165.00687	5.2
167.03807	0.6
169.05365	0.6
170.01256	0.9
171.03285	1.4
175.02751	1.2
179.02333	0.9
185.04755	0.8
187.02707	0.9
189.04329	2.3
190.05019	0.6
193.03824	0.7
199.06474	0.6
201.04340	1.1
203.05916	2.8
208.06158	0.6
209.08603	0.8
217.07445	0.9
222.03944	0.6
227.09628	0.9
237.07713	0.7
241.11165	1.4
245.10614	1.3
252.10272	2.5
255.12709	0.7
259.12076	2.6
263.09451	4.1
265.11090	0.7
270.11356	1.0
277.11172	1.0
281.10583	5.5
289.11105	0.8
299.11566	2.5
303.12683	2.2
304.12216	0.9
308.99710	1.0
313.14984	0.9
315.16257	38.4
316.16840	0.8
317.14374	0.6
317.17886	1.1
321.13773	0.9
331.15796	3.3
333.17334	100.0
334.17599	4.0
337.13309	0.9
349.17093	0.6
351.18402	55.0
352.18750	1.2
356.18933	16.6
357.19119	0.6
369.19284	0.8
374.20035	7.8
377.20038	1.5
389.20117	0.9
407.21036	13.4
467.31567	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.5
56.96565	24.4
57.07091	1.9
60.36578	1.0
67.05501	3.3
69.40437	1.0
69.40800	8.5
70.06603	1.4
71.95271	2.4
72.96064	1.6
74.97602	2.1
81.07039	2.3
83.08643	1.2
84.96017	2.0
86.09682	1.1
87.74713	0.9
88.07645	2.3
91.05492	1.7
93.07019	2.0
95.08604	2.9
102.09174	2.0
107.04952	1.3
107.08581	1.7
109.10170	2.7
110.97546	1.2
111.89967	0.9
116.98580	1.6
119.08556	1.0
121.06497	1.1
123.01180	1.1
128.98602	8.6
146.99677	12.5
149.02379	3.7
155.03809	1.7
161.01251	3.0
161.04958	1.0
165.00737	3.9
170.01315	1.3
179.02289	1.3
189.04349	2.4
193.04962	4.5
194.05331	1.8
203.05872	1.6
237.07608	2.6
238.07909	3.2
241.11166	2.4
245.10548	1.2
256.26361	1.5
257.10498	1.3
257.26706	1.8
259.12222	4.0
261.08032	1.1
263.09753	1.3
267.89737	1.1
303.12811	2.0
315.16269	32.4
315.19839	2.0
316.16812	1.7
331.15820	4.1
333.17365	100.0
334.17773	3.3
351.18439	32.5
352.18820	2.0
356.19064	12.0
366.86322	1.1
374.20175	5.3
389.19958	1.9
407.20969	6.0
467.32120	11.9
467.37863	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43319	7.3
53.03935	14.4
55.01860	22.0
55.05510	38.3
56.96572	10.8
57.03437	85.3
57.07048	11.4
59.82293	7.4
67.05502	92.0
69.03416	10.3
69.07054	21.5
70.06566	13.0
71.04987	9.6
71.08609	13.0
71.59545	9.3
79.05493	83.3
81.03400	10.8
81.07052	73.9
83.04991	10.2
83.08606	17.2
84.04489	10.7
85.06547	12.1
91.05486	100.0
93.07036	72.5
95.01314	11.5
95.04980	42.1
95.08625	40.9
97.06496	16.4
97.10175	14.1
103.05450	9.6
105.07039	74.0
107.04929	32.7
107.08573	55.5
109.06511	73.5
109.10134	31.7
110.57462	7.7
111.08093	13.1
113.05987	15.9
117.07014	57.3
119.04891	11.6
119.08584	49.1
121.06541	17.8
121.10135	32.6
123.08057	16.8
128.06349	10.8
129.06979	38.2
129.10251	8.7
130.07790	7.2
131.08549	68.7
133.06477	9.4
133.10150	31.7
135.08043	61.7
135.11670	19.6
137.09583	9.8
139.11134	7.6
143.08549	28.5
145.06410	8.7
145.10098	49.7
147.08052	54.3
147.11662	10.5
149.09587	24.8
156.39999	8.4
157.10118	33.8
159.08070	28.3
159.11696	20.7
161.09605	29.3
161.13289	13.4
163.11154	10.6
171.11696	14.9
173.11795	10.7
173.13264	19.5
175.11159	17.2
177.12744	15.0
181.10004	9.4
183.11674	18.4
199.14786	37.6
201.12668	43.1
217.15869	94.6
219.13710	22.5
238.17145	8.4
273.18500	66.3
291.19531	81.5
292.20279	23.9
341.21057	16.5
385.19333	7.5
413.86111	8.0
449.21448	10.2
457.12207	10.5
467.27344	31.9
467.37643	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2099
Annotation	CARAPIN-8 (9)-ENE
Peak:m/z	Relative Intensity
51.45390	0.2
52.31010	0.2
55.29389	0.2
56.05026	0.3
56.96560	0.3
60.04531	0.4
65.14721	0.2
66.02586	0.2
70.06591	6.1
71.59553	0.3
72.08179	0.4
84.04501	0.3
84.08150	0.5
85.02921	0.3
86.09709	0.4
91.05478	0.3
94.98552	0.2
98.97572	0.6
107.04949	1.8
110.07148	0.4
116.98607	0.5
127.08714	0.2
128.98625	0.2
129.10214	0.3
130.05040	0.2
130.06560	0.2
134.99657	0.3
136.07597	0.4
146.99702	0.2
147.04434	0.3
170.99707	0.3
177.00714	0.3
183.56784	0.2
219.01886	0.2
229.08772	0.2
237.02850	0.5
293.09171	0.6
305.15701	11.4
306.15997	0.2
311.10074	0.3
323.13422	0.2
361.18295	0.3
407.12231	1.4
467.20996	100.0
468.21381	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54471	1.0
56.05030	2.7
60.04522	2.3
70.06589	19.3
71.58588	1.5
72.08153	60.7
74.06069	0.9
82.06548	1.0
84.04497	5.4
84.08142	11.6
86.09705	8.0
87.05584	1.8
88.04031	1.1
90.05524	1.0
91.05450	1.5
98.97595	1.2
102.05516	2.7
104.05382	1.1
107.04935	2.9
110.06014	1.0
110.07196	5.4
112.08717	1.6
116.07114	1.2
119.04948	1.1
120.08105	5.7
120.88010	1.0
127.08653	0.9
129.10243	6.0
130.05013	1.6
132.08186	1.1
136.07582	5.9
171.04987	3.0
171.41728	1.1
173.12869	1.5
183.11299	2.0
184.07370	2.4
186.12456	1.0
201.12398	3.0
214.11606	1.2
248.79134	1.0
261.13406	1.4
279.14386	7.2
287.11948	1.4
297.15533	3.7
305.12375	2.8
323.13385	8.1
347.13409	10.6
351.09561	1.5
365.14450	9.8
388.16269	1.1
449.17752	2.4
467.18875	100.0
468.19107	2.7
488.29416	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.3
53.03934	1.1
55.01847	0.3
55.05489	1.0
57.03425	0.3
64.71572	0.2
65.03917	0.3
67.05505	1.4
69.03405	0.3
69.07050	1.0
70.06576	0.9
71.04982	0.3
71.59697	0.3
71.60134	0.3
74.48190	0.3
77.03911	0.3
79.05493	1.5
80.04992	0.4
81.03402	0.5
81.07058	1.4
83.04977	0.3
83.08615	0.6
85.02888	0.4
86.09701	0.4
91.05476	6.5
92.05794	0.3
93.04414	0.3
93.07036	11.1
95.04964	2.9
95.06060	0.3
95.08571	0.9
97.02857	0.3
97.06545	0.4
97.10172	0.3
103.05460	6.0
105.04524	0.4
105.07022	0.7
107.04939	3.6
107.08601	0.6
109.10155	0.6
110.07159	0.8
116.82926	0.2
117.07015	0.3
119.04935	0.3
119.08559	0.5
120.08108	0.3
121.06493	100.0
122.06813	1.6
130.12270	0.4
134.06018	2.1
136.07561	0.5
138.09146	0.5
140.06981	0.3
145.10081	0.4
149.09555	0.3
152.07094	1.6
162.05476	0.3
164.07162	0.3
166.12262	1.0
180.10159	2.7
184.13309	3.7
202.14389	2.7
210.14957	0.7
248.39038	0.3
250.18010	6.1
280.19083	3.0
293.21243	0.9
304.19119	1.0
310.23990	0.3
316.19104	1.1
322.20084	28.9
323.20554	0.7
328.24652	0.6
352.21136	0.4
448.30582	8.6
449.30548	0.4
466.31720	14.5
467.25702	1.1
467.32312	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.01860	2.1
55.05502	1.2
55.73465	0.4
57.03426	2.9
57.07065	2.4
57.47589	0.5
59.04991	0.8
59.99968	0.4
61.02919	3.3
67.05498	4.9
69.03423	8.4
69.07065	3.5
69.80759	1.7
69.81169	1.1
70.06584	1.3
71.01341	1.1
71.04974	0.5
73.02911	12.4
73.03299	0.8
79.05051	0.7
79.05483	8.5
79.63663	0.4
81.03420	2.0
81.07050	100.0
82.07371	0.5
84.04556	0.5
85.02895	18.8
86.03575	0.4
86.09679	0.8
87.04443	1.4
91.03960	1.1
91.05494	0.7
93.07035	1.9
95.04977	0.7
95.08599	17.5
96.12719	0.5
97.02881	12.6
99.04462	0.8
99.63423	0.5
103.03950	0.5
104.10708	0.5
105.07029	0.8
107.04958	5.1
107.08593	1.1
109.02864	2.2
109.10141	1.7
115.03925	6.3
117.05509	0.5
119.08599	0.7
120.08105	0.5
121.06490	1.1
121.10159	0.7
127.03899	7.2
133.04956	8.4
133.10086	0.5
135.11659	0.6
137.05978	0.8
137.13243	22.4
145.04944	9.5
145.10101	0.5
147.11664	0.5
150.07542	0.7
151.07468	0.6
163.05977	4.5
184.07358	1.3
187.99776	0.5
196.69754	0.4
199.05968	0.8
223.05991	2.2
233.15147	0.5
236.05630	0.7
241.07098	2.2
259.08118	3.8
269.17334	0.5
272.91843	0.5
277.09198	0.5
295.10187	2.2
301.11942	0.8
359.35571	0.5
435.15897	1.3
447.72406	0.6
448.30908	0.9
466.31570	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.3
56.96555	1.2
57.03432	4.5
57.07065	2.7
58.06586	1.4
61.02925	2.1
65.22892	1.4
67.05501	21.9
67.94958	1.4
69.03429	2.2
69.07061	9.8
69.50141	4.4
69.50562	5.8
70.06582	2.8
71.04978	3.1
73.02924	2.4
78.47844	1.4
79.05480	10.9
81.03397	3.1
81.07055	30.0
83.04971	4.4
83.08621	7.0
85.02894	4.3
86.09705	2.0
91.03966	1.4
91.05479	7.3
93.07042	24.2
95.04973	3.7
95.08600	8.5
97.02882	2.4
97.06523	5.8
98.09673	1.6
98.21468	1.9
99.08154	1.8
100.11241	4.3
105.07016	4.2
106.76991	1.3
107.04953	6.1
107.08592	9.1
109.10130	2.0
111.04442	1.9
111.08075	2.9
114.12844	1.3
117.06960	2.4
117.55830	1.2
119.08585	1.5
120.08070	1.4
121.06495	19.5
121.10136	8.0
123.11801	1.3
131.08621	1.7
133.10120	3.0
135.11665	3.7
136.07545	1.4
137.77124	1.5
140.10756	1.5
146.05914	1.5
146.68889	1.2
149.13271	16.3
157.10097	1.4
159.11659	7.5
168.10301	1.5
168.13882	1.5
177.12741	2.9
182.15451	2.7
195.13779	8.7
209.16347	1.6
213.14967	1.5
218.07700	1.6
250.17967	6.5
269.17462	100.0
270.17722	1.6
273.83801	1.5
301.06967	2.7
437.74411	1.5
466.31104	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	466.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01863	4.9
55.05499	1.6
56.89688	1.1
57.03440	11.5
59.31065	1.1
60.08136	1.5
61.02923	7.0
65.03931	1.1
65.14359	1.1
67.05482	4.0
69.03432	18.6
69.07058	2.6
70.06599	5.4
71.01362	1.7
71.04984	1.3
71.58641	1.4
72.08135	1.7
73.02916	42.1
77.12579	1.2
79.05481	4.6
81.03405	4.6
81.07056	99.0
84.04494	1.7
84.08136	3.0
85.02907	50.1
86.09719	5.8
87.04465	2.9
91.03963	2.6
91.05471	2.1
93.07029	2.3
95.04969	1.4
95.08614	8.6
97.02885	32.5
99.04401	2.3
104.10736	3.8
105.07014	1.5
107.04938	5.8
109.02867	4.9
110.07144	3.4
110.18759	1.1
115.03927	17.1
116.95775	1.2
120.08109	1.5
121.06422	1.2
125.00027	2.5
127.03921	20.1
132.06613	1.2
133.04958	19.3
137.13254	100.0
145.04955	21.7
150.07574	1.8
160.63150	1.3
163.06020	10.9
169.04825	1.6
184.07339	10.8
193.04880	1.5
217.07036	1.9
223.05968	5.5
241.07051	6.2
259.08115	10.4
277.08813	1.4
295.10065	4.3
300.67068	1.3
307.19040	3.9
317.19589	3.2
372.96918	1.3
385.54233	1.6
467.22150	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	466.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01875	1.3
55.05494	0.7
57.03443	2.8
57.07065	1.1
57.61722	0.5
58.60278	0.4
61.02925	2.0
62.96613	0.5
67.05503	3.2
69.03432	4.6
69.07057	1.2
70.06612	2.4
70.94065	0.5
70.94395	0.9
71.01361	0.6
71.04986	1.3
72.08137	0.6
73.02915	8.9
78.82962	0.4
79.05495	7.2
79.05915	0.7
81.03426	0.7
81.07059	100.0
82.07401	1.1
84.08148	1.0
85.02905	11.2
86.09707	1.8
87.04488	0.7
88.07637	1.6
91.03931	0.6
91.05486	0.9
93.07045	1.2
95.04961	0.9
95.08608	10.4
97.02891	7.4
99.04474	0.6
104.10783	0.6
105.07045	0.6
107.04966	2.9
107.08604	0.6
109.02884	0.8
110.07225	0.5
115.03933	4.0
115.04692	0.6
119.08618	0.6
120.08134	0.6
121.06524	0.5
127.03918	3.6
129.10258	0.6
133.04959	5.0
137.13260	19.8
145.04967	5.4
163.06070	1.8
184.07341	2.1
208.21982	0.4
241.07109	1.2
259.08258	1.0
485.16470	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49478	0.8
53.03931	1.5
55.01862	3.0
55.05494	1.2
56.13783	0.9
56.24293	0.9
56.96562	1.2
57.03436	6.0
57.07060	2.8
61.02918	4.1
67.05507	5.5
69.03429	11.6
69.07059	3.8
70.06583	2.7
70.83888	1.8
71.01340	1.5
72.08114	1.1
73.02920	20.1
78.48238	1.0
79.05489	7.6
81.03418	2.6
81.07057	100.0
83.08586	1.0
84.08141	1.6
85.02907	24.6
86.09686	3.2
91.03952	1.1
91.05487	1.4
93.07027	2.1
95.04969	1.4
95.08605	20.1
97.02894	19.8
99.04491	1.1
100.14287	1.0
103.03942	1.7
104.10711	1.0
107.04943	1.9
109.02874	2.4
109.10179	1.5
110.07169	2.6
115.03931	8.7
121.65940	1.0
127.03915	10.9
133.04965	14.9
133.06494	1.1
137.13249	23.7
145.04971	11.8
150.07585	1.1
160.97258	1.0
163.05995	6.1
184.07375	4.2
223.05997	3.0
229.46982	1.0
241.07051	3.9
247.18755	0.9
259.08167	4.3
259.10568	1.0
295.10010	1.1
307.33649	0.9
330.52661	0.9
333.37189	1.1
466.29279	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	466.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.2
50.40080	0.1
51.02380	0.2
53.03941	0.8
55.01875	0.3
55.05518	0.7
55.06047	0.1
57.03436	0.2
60.01820	0.1
67.05489	0.6
69.03436	0.2
69.07050	0.5
70.04076	0.2
70.06582	0.3
70.87395	0.1
71.60305	0.1
77.03906	0.2
79.05486	1.9
80.05012	0.4
81.03421	0.3
81.07050	0.5
83.04954	0.2
83.08619	0.4
85.02877	0.2
91.05494	0.4
93.07030	0.6
94.06566	1.6
95.04967	2.4
95.08597	0.3
97.10157	0.2
104.76788	0.1
105.04507	0.5
105.07045	0.3
106.06567	0.4
107.04950	100.0
108.05278	1.3
108.08121	1.1
109.10116	0.2
109.52543	0.1
110.10480	0.1
112.07608	1.6
119.08589	0.2
120.08085	0.2
121.06481	1.0
124.07590	5.6
131.08557	0.2
133.10123	0.2
138.09142	0.2
143.10532	0.1
160.97311	0.3
162.97041	0.2
179.08577	0.2
180.09337	0.2
190.15742	0.1
199.89035	0.1
218.15392	1.0
218.86992	0.2
230.11755	0.5
236.16443	6.7
237.16904	0.2
252.16031	0.2
254.17497	24.5
255.17863	0.4
266.17432	0.3
337.16064	1.0
358.20090	0.9
359.20084	0.2
360.04288	0.4
360.21674	27.0
361.21960	0.5
466.25818	10.4
467.26303	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2585
Annotation	Zygosporin D
Peak:m/z	Relative Intensity
51.02370	0.4
51.88978	0.2
53.03938	0.9
55.05505	0.9
57.07067	0.4
64.96489	0.2
67.05490	0.4
67.07775	0.2
69.07056	0.7
70.09867	0.8
70.10288	0.4
77.03915	0.3
79.05482	1.9
79.15724	0.2
80.05014	0.3
81.03380	0.2
81.07030	0.5
83.04964	0.2
83.08619	0.3
91.05482	0.4
93.07025	0.4
94.06571	1.5
95.04964	2.7
105.04516	0.6
106.06525	0.5
107.04950	100.0
108.05286	1.3
108.08132	0.8
112.07607	1.3
116.98526	0.2
121.06493	0.4
124.07588	5.4
131.08577	0.3
136.07556	0.3
218.15414	1.0
236.16444	7.2
246.07796	0.2
254.17500	24.4
255.17938	0.5
266.17532	0.5
337.16238	1.2
349.05975	0.2
358.20032	0.7
360.21677	29.8
361.22009	1.0
362.74292	0.3
466.25806	10.5
466.35440	0.4
467.26230	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.3
55.05509	0.7
56.05036	1.3
57.15051	0.2
58.06610	0.5
60.04523	0.5
60.08164	5.9
65.96321	0.3
67.05495	0.9
68.05016	0.3
69.03451	0.3
69.07049	0.4
70.06592	7.0
70.11702	0.2
70.25875	1.2
71.06959	0.5
71.07372	2.9
72.08151	1.9
77.55770	0.2
79.05474	0.8
81.03443	0.6
81.07070	0.8
84.04508	1.7
84.08147	2.7
85.02902	0.4
86.09708	36.5
87.10032	0.6
88.03989	0.4
91.05484	2.2
93.07035	1.2
95.08601	0.8
97.02892	0.3
98.98460	3.2
102.05526	0.4
104.10747	5.6
105.07016	0.5
107.04958	1.6
107.08587	0.7
109.10182	0.3
110.07166	1.2
112.08744	0.3
113.24581	0.2
115.08711	0.4
116.07136	0.2
119.08609	0.3
120.08118	2.5
121.06496	0.4
121.10121	0.4
125.00008	22.0
129.10246	1.6
130.05005	0.3
131.08611	0.3
133.06468	0.4
133.10126	0.4
135.11693	0.6
136.07581	0.5
143.01088	0.4
145.10112	0.6
159.09145	0.3
163.11192	0.9
167.08087	0.3
181.12318	0.2
184.07346	100.0
201.12477	0.4
227.12740	0.5
251.16348	0.5
283.15329	0.5
325.20145	0.9
417.03986	0.3
448.21039	1.3
466.21976	6.4
466.28326	0.2
467.19183	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.22
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.1
56.05025	1.6
58.06603	1.7
60.04547	0.6
60.08163	14.6
67.05495	1.9
69.07062	0.8
69.46240	1.0
69.46646	2.3
69.97451	0.4
70.06593	7.0
71.02719	0.4
71.07374	5.1
72.08161	3.2
76.02222	0.5
79.05496	2.5
81.03445	0.4
81.07052	1.8
83.04969	0.6
83.08623	0.5
84.04505	1.3
84.08151	3.7
84.34621	0.5
86.09706	49.6
87.10035	0.5
91.05476	1.4
93.07043	2.7
95.04974	0.5
95.08034	0.4
95.08590	2.5
97.06531	0.6
98.21539	0.9
98.98466	3.4
101.07187	0.4
103.24340	0.4
104.10745	100.0
105.07025	0.9
105.11070	0.7
107.04968	3.1
107.08574	1.6
110.07174	1.3
117.07054	0.6
119.08596	0.8
120.08107	2.2
121.06503	0.8
121.10160	0.9
125.00005	23.3
126.02564	0.6
129.10234	1.4
130.06570	0.6
131.08603	0.6
135.11760	2.2
136.07561	1.6
143.01073	0.6
145.10121	1.7
163.01521	0.8
163.11195	3.0
178.66240	0.5
184.07343	81.8
185.07672	0.7
185.09833	1.1
195.62665	0.4
227.12872	1.5
258.10980	0.7
271.40579	0.4
283.15424	1.1
328.25006	0.5
393.53641	0.5
448.21143	5.2
466.22006	27.7
466.75995	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
57.07068	0.4
67.05479	0.3
69.03432	1.6
69.64699	0.4
70.06597	1.1
71.49499	0.7
76.67432	0.4
79.05486	0.9
80.20347	0.3
81.03413	0.7
84.04516	0.5
84.08116	0.5
85.02908	2.9
95.04987	1.8
95.05501	0.4
97.02907	0.6
107.04958	100.0
108.05298	1.7
110.07144	0.4
113.06036	0.4
114.57320	0.3
116.98625	0.4
119.16035	0.3
120.08123	0.5
127.03931	0.9
136.07568	0.5
143.01888	0.4
145.04985	0.9
148.88538	0.3
168.37189	0.3
173.02931	0.4
182.38722	0.3
185.06602	0.5
188.44566	0.4
203.04056	0.4
467.11862	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69250	1.2
52.88382	1.4
55.01863	4.2
55.05503	5.9
56.05032	8.7
57.03428	1.5
58.99578	3.5
60.04512	4.6
60.08158	7.9
61.01149	2.7
67.05503	7.6
68.05019	2.1
69.07066	8.9
70.02946	3.0
70.06590	59.4
71.05006	2.1
71.07362	3.2
72.08150	23.2
73.47345	1.5
74.00661	38.3
74.06065	4.1
76.03997	8.4
79.05495	4.7
81.03407	2.8
81.07055	5.6
82.06554	2.2
83.06098	4.9
84.04500	39.7
84.08141	26.0
85.01128	5.8
85.02930	1.6
85.04031	15.5
85.08479	1.8
86.00647	3.0
86.06072	1.8
86.09702	65.5
87.05616	2.2
87.10043	2.5
88.02209	3.2
88.04008	3.3
89.00618	2.5
91.05486	9.2
92.01695	6.2
92.12605	1.5
93.07027	8.9
95.04960	3.7
95.06060	1.7
95.08597	30.4
96.04473	1.9
97.02896	1.6
97.06547	1.9
98.06051	2.9
98.97619	1.6
98.98467	4.2
99.02703	2.1
102.05509	7.9
104.10746	7.4
105.07021	2.4
107.04930	10.1
107.08578	2.8
110.07168	12.4
112.03965	3.0
112.08779	3.0
112.11231	4.5
113.03471	2.8
113.07137	1.6
114.00131	3.5
115.08675	2.7
116.01672	14.7
116.07078	1.5
117.06959	2.0
119.08570	2.9
120.08109	17.0
121.08444	2.2
123.08060	8.4
124.99983	24.0
126.05558	1.7
127.03929	1.6
127.05795	8.4
128.01721	1.7
129.06598	6.1
129.10237	17.6
130.04996	20.1
131.04498	11.1
131.08543	2.4
132.08081	2.5
132.91051	1.8
135.04395	1.6
136.07576	6.2
136.11179	1.8
138.09186	1.7
143.11717	1.4
144.01158	2.8
148.06020	1.4
153.07388	4.1
155.05237	2.8
159.09245	1.7
160.00659	7.7
162.02203	10.4
163.03955	1.6
170.10004	12.9
170.11629	2.4
171.08383	4.2
171.11472	1.5
173.09946	2.4
177.03284	51.8
181.09818	1.3
184.07339	100.0
185.03816	2.5
188.87088	1.4
189.03394	1.7
198.09499	13.2
199.07823	2.5
201.12372	1.9
216.10509	1.8
217.08926	11.5
219.04340	8.4
231.04373	5.6
231.65341	1.3
233.15382	3.0
234.11511	6.8
243.04570	1.8
245.05750	1.7
251.16521	2.2
256.10144	7.5
258.11157	1.6
273.12619	9.7
274.10992	2.2
283.10831	1.8
284.09650	1.5
301.12158	73.0
302.10687	1.4
302.12482	1.6
306.07773	1.7
307.18793	1.7
319.13290	5.7
325.20068	6.1
337.14264	11.7
391.15405	10.0
425.22147	1.4
448.20761	2.2
466.22006	5.3
478.38611	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	3.8
64.55427	1.4
70.06575	2.2
70.93973	3.5
72.93802	2.2
79.05492	1.5
84.08127	2.3
85.02917	1.9
87.64979	1.5
91.05450	2.1
91.59059	1.3
93.07045	2.0
94.60185	1.4
103.05473	6.1
105.40153	1.3
107.04940	16.0
117.03406	2.7
120.08099	100.0
121.02914	2.2
121.08372	1.5
121.36284	1.5
131.04938	2.8
137.02831	1.4
137.47023	1.6
145.02820	2.5
149.05945	3.3
163.03906	8.5
166.08630	55.0
178.02435	1.3
194.24786	1.3
197.93224	1.3
205.15359	1.3
209.48151	1.3
215.41814	1.5
223.97603	1.6
234.96877	4.4
252.97937	14.0
271.87222	1.7
275.97159	2.6
276.97989	6.0
294.98956	2.0
440.16840	2.0
459.15808	1.6
466.15656	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01872	1.8
55.05505	5.3
57.03432	1.3
57.07072	100.0
67.05506	2.5
69.07063	93.3
69.53739	1.4
69.54145	3.6
70.07442	1.3
70.07841	5.5
79.05476	0.9
81.07052	1.2
83.08628	2.4
85.06512	0.7
89.13261	0.6
91.05467	1.5
93.87267	0.6
94.04173	0.9
95.04963	1.4
97.10201	0.8
98.10426	0.8
98.98459	6.9
98.99998	5.0
104.80856	0.8
112.05073	1.9
113.01550	2.6
115.07557	17.8
120.05724	0.7
121.10182	0.7
125.01527	1.0
126.99469	10.9
129.01031	15.1
129.01935	1.3
135.11684	0.7
139.00557	1.1
139.35114	0.6
141.01018	20.7
145.71878	0.7
155.01051	5.3
155.02583	7.5
158.05606	1.4
161.09654	1.3
169.00412	0.7
169.04135	7.9
178.09734	3.9
196.07126	1.2
197.07277	54.3
204.07649	0.8
207.05698	1.4
212.10258	0.7
225.06819	3.4
236.10364	1.7
238.22443	1.3
254.11314	4.1
272.29172	0.7
311.25928	1.9
312.26093	13.3
322.09436	5.5
337.74622	0.7
363.28149	0.7
364.10623	1.7
382.11621	28.7
383.12036	1.0
448.25143	2.5
466.17374	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	466.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.0
55.01862	2.5
55.05502	6.0
56.05029	3.8
56.96557	2.5
57.03424	2.2
60.04518	6.0
60.08166	3.5
61.02897	4.4
67.05490	4.9
69.03429	15.5
69.07040	4.6
70.06591	33.4
70.17966	4.0
70.18366	5.4
71.04985	6.2
72.08141	11.7
73.02916	2.9
74.06061	2.8
79.05473	4.4
81.03409	17.7
81.07042	6.4
83.04981	2.4
84.04492	7.7
84.08135	25.8
85.02901	71.6
86.09702	45.6
86.10181	4.0
91.05468	4.7
93.07037	4.9
95.04929	2.4
95.08600	2.9
97.02884	28.4
98.98470	2.9
99.04451	44.6
102.05514	2.4
102.24174	2.3
103.03942	87.9
103.05439	2.7
104.10736	11.1
105.07034	2.9
107.04935	10.7
107.08572	3.3
109.02870	21.0
110.07157	12.2
112.08710	2.4
112.83911	2.2
120.08109	13.5
121.06575	2.8
121.08394	4.6
124.99980	7.0
125.01546	12.3
127.03912	100.0
129.10188	11.2
135.04422	2.7
135.11646	3.2
136.07564	3.4
137.05988	2.7
145.04964	59.8
163.03906	4.2
163.06012	50.6
170.09143	2.3
181.04973	2.5
184.07343	28.5
187.06079	5.2
262.33438	2.5
269.17410	2.6
271.08154	7.0
289.09174	4.5
305.11102	2.6
307.10248	7.4
375.90851	2.2
383.03745	2.4
387.33051	2.3
476.53717	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	465.2483
Annotation	Xylopimarane
Peak:m/z	Relative Intensity
51.52157	1.4
53.03944	2.6
55.01876	2.9
55.05521	3.2
57.03423	6.3
61.02933	8.6
62.06081	4.3
67.05508	7.2
69.03432	21.1
69.07077	1.9
70.06585	1.6
71.04990	2.5
71.59222	2.6
73.02914	5.2
79.05501	6.1
81.03415	7.9
81.07043	6.1
82.95560	1.3
85.02427	2.5
85.02908	34.2
87.04479	5.6
91.03948	1.9
91.05479	10.2
93.07045	10.6
95.04966	1.5
95.08624	5.0
97.02890	15.3
97.06512	2.1
99.04461	2.3
105.07036	11.7
107.08622	7.3
109.02869	7.3
109.10140	2.6
110.79756	1.4
117.07040	8.7
119.08560	4.9
121.06515	4.5
121.10133	3.6
125.81906	1.5
127.03926	10.8
128.06210	1.4
129.07021	3.0
130.07768	6.2
131.08569	7.6
133.10129	3.3
135.08072	3.4
143.08571	6.3
145.04980	5.2
145.10135	33.8
147.11720	2.9
149.09625	5.1
155.08539	3.4
157.10172	3.7
158.07430	1.5
159.08093	6.8
159.11694	3.0
163.11185	6.4
169.10168	3.5
171.11662	2.0
173.09633	68.3
175.11185	4.5
177.09160	3.1
181.10045	1.9
183.11760	3.4
183.73286	1.6
185.09610	2.0
187.11182	3.7
191.10689	10.3
196.55336	1.4
197.09654	1.8
197.13246	4.3
199.11185	3.3
209.11723	7.0
209.13472	1.5
211.11194	3.3
213.12790	2.7
219.11757	1.5
225.12744	3.1
225.16345	7.0
226.89642	1.5
228.05624	1.7
234.14059	2.1
239.17914	7.8
243.17528	1.8
249.16354	2.9
252.15028	2.8
254.30046	1.4
257.18970	1.6
267.17447	32.2
285.18481	43.2
286.18768	2.0
303.19565	42.3
304.19861	1.6
324.26141	13.7
447.23801	100.0
448.24161	6.2
465.24872	72.0
466.25525	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	465.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.6
55.01854	13.8
55.05514	26.8
56.30252	4.7
57.03429	10.5
57.07055	5.9
57.97918	5.1
58.70287	4.5
61.02908	14.3
67.05494	53.4
67.24626	4.7
68.99776	8.5
69.03426	95.9
69.07056	33.3
70.03458	21.5
71.04979	8.4
73.02907	12.0
79.05480	32.1
81.03413	41.1
81.07054	85.6
83.04956	14.3
83.08594	11.9
85.02897	60.6
87.00816	35.5
91.03919	6.6
91.05463	45.5
93.07041	44.4
95.04970	28.0
95.08599	100.0
97.02901	39.6
97.06508	6.3
97.10132	7.1
99.04451	17.2
105.01856	12.3
105.07020	82.0
107.04933	13.3
107.08588	96.4
109.02852	19.5
109.06544	11.9
109.10146	90.3
111.04436	12.4
111.08057	9.0
115.03920	16.2
115.82860	4.5
117.07000	16.8
119.08572	96.0
121.06483	11.9
121.10129	56.4
123.04400	11.8
123.08018	6.1
123.11672	26.6
127.03943	39.4
129.01860	7.5
129.06996	9.1
131.08557	32.9
131.28638	5.3
133.10121	68.4
135.07997	7.2
135.11659	26.7
137.05963	6.0
137.09598	6.2
143.03352	5.1
143.08542	15.1
144.09360	6.0
145.04913	9.1
145.10107	55.2
147.08058	9.7
147.11670	46.1
147.93701	4.5
149.09589	6.4
149.13231	14.5
155.08478	9.3
156.09364	8.9
157.10109	28.4
159.02892	11.0
159.11687	68.0
161.13251	61.8
163.14799	30.1
165.09183	5.9
169.10112	10.7
171.02843	6.8
171.11700	32.1
173.13275	57.6
175.14777	24.9
177.16464	6.5
183.11676	13.1
185.13286	14.0
187.14854	11.2
189.03899	6.4
189.16365	18.1
195.11519	6.6
197.13217	12.7
199.14804	8.3
201.03920	15.2
201.16406	22.3
203.17931	40.7
209.13206	9.7
211.14801	9.6
213.16345	16.9
215.17941	74.7
217.19502	98.3
218.46931	5.0
220.96729	5.1
223.14738	7.8
225.16516	6.0
227.17950	29.7
229.19530	21.5
231.04965	18.8
233.18980	8.0
241.19545	16.8
245.18921	24.5
251.17851	6.6
253.19455	10.0
257.18930	10.4
259.20593	6.8
271.20508	8.3
283.20697	6.3
289.21753	15.5
297.22263	6.2
301.21506	6.8
307.20432	15.6
325.21524	39.8
343.22528	32.9
360.04117	5.4
361.23630	21.1
411.21518	9.0
429.22513	33.6
445.81754	5.7
447.23785	59.9
457.05725	6.0
465.24506	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	465.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72322	0.4
53.03927	0.6
54.48543	0.5
55.05511	1.0
56.05029	2.1
60.04509	1.2
60.63672	0.4
69.03396	0.4
69.07077	1.0
70.06591	13.1
71.58188	0.9
72.08157	7.2
74.06077	1.2
76.02215	1.0
81.03410	0.8
81.07065	0.8
84.04501	5.4
84.08141	5.4
85.02917	0.8
86.09706	100.0
87.10061	0.8
88.03989	0.8
91.05482	1.2
93.07029	0.7
95.04954	0.7
97.07687	0.5
98.09677	0.8
102.05552	2.7
103.05457	2.1
104.10774	0.9
105.07036	1.0
107.04953	4.1
110.07200	2.6
110.09648	0.7
112.11274	0.5
120.08105	74.6
121.08446	0.8
124.49335	0.5
129.06606	0.6
129.10239	3.0
130.05042	3.2
130.06485	0.6
130.10672	0.5
133.06500	0.7
136.07593	1.7
148.04872	0.7
148.06050	11.1
149.05917	0.6
159.09146	0.5
177.10228	29.1
184.07310	2.3
187.07016	0.6
201.12424	0.5
205.09734	23.2
209.44954	0.5
220.84299	0.4
233.16516	0.6
243.13470	0.7
259.08539	0.7
261.14432	27.1
273.15930	1.7
285.14871	0.5
303.04919	1.7
310.58200	0.6
318.18112	4.3
324.18341	0.7
447.21832	0.5
465.15945	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1028
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
50.88637	0.2
51.05685	0.2
53.03930	0.5
55.01857	0.7
55.05494	0.7
56.05027	0.3
57.03425	1.1
61.02920	1.6
65.03942	0.3
66.26752	0.2
67.05487	0.4
68.99776	0.8
69.03427	3.7
69.07061	0.3
70.06586	3.9
71.04978	0.7
71.06898	0.3
71.59565	0.2
72.08153	1.6
73.02902	0.5
74.06049	0.3
79.05476	0.4
81.03416	2.8
81.07034	0.2
83.06100	0.2
84.04493	0.9
84.08129	1.5
85.02899	9.8
86.06040	0.3
86.09696	3.2
87.04456	0.7
91.03938	0.7
91.05472	1.6
93.03367	0.4
93.07025	0.3
95.04941	0.6
95.06071	0.3
95.08564	0.3
97.02875	3.6
98.06010	0.2
99.04443	0.4
105.07043	0.3
105.30914	0.2
107.04950	4.0
107.08590	0.3
108.05289	0.5
109.02206	0.2
109.02833	1.2
109.10146	0.2
110.07142	0.8
111.00807	1.0
112.08697	0.2
116.07097	0.3
116.98547	0.3
119.04925	0.4
119.08619	0.2
120.08105	1.6
121.02870	1.1
121.06491	0.2
123.04416	0.4
127.03924	2.2
128.07097	0.2
129.10249	0.5
133.10132	0.2
135.04395	0.7
136.07567	2.6
137.02324	3.9
137.03369	0.2
137.05963	0.3
137.09491	0.2
145.04945	1.2
145.06444	0.3
147.04398	0.4
148.06082	0.2
149.02327	0.4
153.01817	5.0
155.04907	0.4
157.10135	0.2
161.05957	0.5
163.03888	1.3
165.01831	2.0
166.02563	0.4
166.08722	0.2
173.05998	0.7
174.98891	0.2
175.67378	0.2
183.02869	1.0
183.04448	0.7
187.03931	0.6
191.03517	0.3
193.12277	0.4
195.02859	0.3
201.05463	2.3
205.04956	0.2
207.02977	0.3
219.06561	0.4
227.13902	0.3
228.04199	0.4
229.04955	4.9
235.14229	0.3
239.10085	0.4
247.05994	0.7
253.12984	0.2
257.04416	3.0
257.12903	0.2
261.03143	0.3
267.15994	0.4
273.07602	0.2
274.04678	0.9
275.05527	0.3
277.02878	0.2
285.03818	1.4
285.06268	0.4
285.12259	0.5
285.16995	0.2
303.04965	100.0
304.05286	1.2
305.02267	0.4
305.10587	0.2
333.18182	0.3
345.08987	0.3
359.17078	0.3
361.04980	0.3
379.05798	0.9
397.06805	0.5
465.23288	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1022
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03912	0.2
55.01860	0.5
55.05481	0.2
57.03421	0.9
61.02922	1.4
68.99773	0.9
69.03426	2.9
69.43822	0.4
69.44234	1.6
71.04980	0.5
73.02904	0.5
74.55734	0.3
77.00249	0.2
78.33100	0.2
81.03400	1.7
85.02896	9.6
87.04446	0.2
91.03950	0.6
93.03426	0.3
95.04974	0.4
96.62340	0.2
97.02880	3.5
97.58866	0.2
99.04436	0.8
106.63813	0.2
107.04910	0.4
109.02872	1.2
111.00788	1.2
119.09850	0.2
121.02841	0.9
123.04358	0.4
127.03905	2.1
135.04329	0.3
137.02312	4.3
145.04976	1.8
145.06081	0.3
149.02335	0.4
153.01820	5.1
155.04834	0.3
161.05948	0.4
163.03870	0.9
165.01811	2.1
173.05948	0.7
183.02876	0.9
183.04350	0.4
187.03896	0.5
191.07083	0.3
201.05452	2.0
219.06396	0.4
228.04230	0.3
229.04924	4.7
229.65654	0.2
238.15974	2.3
238.66107	0.8
239.15868	0.4
247.06017	1.0
247.16219	0.2
257.04434	3.3
274.04712	0.9
275.05273	0.3
285.03915	1.7
303.04959	100.0
304.05295	1.0
347.74692	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01871	0.7
57.03443	0.8
58.70852	0.1
61.02643	0.2
61.02923	1.7
65.03920	0.3
67.05498	0.2
68.99789	1.0
69.03421	3.5
70.06586	0.2
70.76120	0.2
71.04974	0.5
73.02907	0.5
78.48579	0.1
81.03410	2.0
83.01329	0.3
85.02897	9.9
87.04457	0.4
91.03974	0.5
91.05448	0.1
93.03384	0.4
95.04932	0.4
97.02273	0.2
97.02884	3.6
99.04434	0.5
107.04949	0.2
109.02866	1.5
110.07140	0.1
111.00782	1.1
120.08115	0.2
121.02845	1.2
123.04406	0.4
127.03918	2.1
135.04343	0.2
137.02328	4.5
137.03380	0.3
145.04938	1.5
145.06435	0.4
149.02332	0.4
153.01810	5.6
155.04890	0.4
159.04398	0.1
161.05957	0.4
163.03908	1.0
165.01826	2.5
166.02635	0.3
171.04282	0.1
173.05977	0.7
179.03410	0.2
183.02866	1.2
183.04407	0.4
187.03893	0.4
191.03395	0.1
195.02841	0.5
201.05443	2.6
205.04935	0.3
207.02956	0.2
211.03906	0.2
213.05472	0.2
219.02968	0.1
219.06508	0.4
228.04141	0.3
229.04932	5.8
239.03506	0.2
247.06015	1.0
257.04422	3.9
258.04910	0.2
274.04706	1.0
275.05521	0.3
285.03870	1.5
302.04291	0.2
303.04956	100.0
304.05289	1.6
315.05023	0.4
345.05966	0.5
369.05679	0.2
465.10394	0.2
465.16937	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08644	1.6
53.03945	2.3
55.05511	14.3
57.03429	3.7
62.06094	35.3
67.05172	2.3
67.05506	30.1
69.07066	12.9
71.59058	2.3
75.73370	1.8
79.05495	8.9
81.07056	28.2
83.04993	2.1
83.08617	6.2
85.02899	2.9
86.09668	1.8
91.05482	5.6
93.07063	9.3
95.08613	18.8
97.10155	3.2
98.98478	7.7
105.07033	4.9
107.08584	4.6
109.10152	7.0
119.08603	5.1
121.10172	5.0
123.08079	1.6
123.11716	4.8
135.11740	2.8
145.10146	3.1
155.01028	5.6
156.03893	1.7
171.97403	2.0
173.09630	7.7
216.06357	3.1
231.21082	3.0
249.22150	4.8
267.17572	2.3
285.18530	3.8
292.26376	10.2
303.19522	4.7
321.39276	1.8
323.25812	100.0
324.26135	2.8
325.20132	2.0
373.02896	1.8
446.26526	2.0
447.23773	8.5
464.33804	2.8
465.24875	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	464.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10336	22.6
52.32389	25.2
54.25726	27.9
55.05530	24.4
56.87038	23.2
67.05474	47.5
69.03420	29.0
69.07069	44.4
79.05513	25.8
79.24575	30.5
80.90417	23.9
81.07046	48.6
85.02941	24.8
91.05492	42.0
107.08580	31.9
109.10172	29.6
171.92889	27.6
267.17374	28.2
285.18704	40.1
300.30704	24.5
303.19421	27.4
333.20480	30.8
335.26047	32.6
465.24780	100.0
479.79108	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.1
55.05272	0.8
55.05510	13.2
55.77531	0.6
57.03191	0.7
57.03441	8.9
57.07054	1.5
59.92997	0.6
65.03931	0.7
67.05502	29.5
68.05839	0.6
68.42564	0.6
69.06721	1.0
69.07069	13.4
70.84743	2.0
71.04993	1.2
71.08622	0.6
74.40047	0.7
79.05487	7.7
81.07053	23.8
83.04981	1.1
83.08615	6.2
85.06537	1.1
91.05471	4.4
93.07040	8.1
95.08604	18.2
97.06532	2.1
97.10151	3.3
98.98432	0.6
99.08056	0.6
101.37585	0.6
105.07019	3.8
107.08606	4.2
109.10158	7.5
119.08557	2.1
121.10146	2.9
123.08027	0.7
123.11703	2.9
133.10127	3.1
135.11662	1.6
137.13188	0.9
147.11684	1.9
149.13255	0.7
161.13290	1.1
184.07336	0.9
191.07127	0.5
219.73112	0.6
231.20891	0.7
240.93964	0.8
249.22253	1.6
252.91284	0.6
292.26373	1.8
312.59503	0.6
323.25793	100.0
324.26208	5.1
371.97229	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.7
55.01879	6.1
55.05522	1.9
57.03436	11.3
57.07076	1.6
59.05000	2.1
61.02927	9.1
67.05487	2.1
69.03430	21.2
69.07079	1.8
70.06586	3.6
70.35871	2.3
70.36224	2.0
71.01347	2.7
71.05007	1.3
72.08150	1.5
73.02918	58.0
79.05494	28.2
79.05958	0.9
80.05846	0.9
80.89293	0.9
81.03429	4.9
81.07055	3.2
83.08640	0.9
84.04502	1.4
84.08160	1.5
85.02907	51.0
86.06088	1.0
86.09696	2.1
87.04456	2.2
91.03944	1.4
91.05480	16.5
93.07043	100.0
94.07365	1.2
95.04980	8.7
95.06075	1.1
95.08586	4.2
96.04556	1.0
96.05260	1.3
97.02889	31.4
99.04460	3.3
102.80920	0.9
103.03956	2.7
105.07036	4.4
107.04972	4.9
107.08591	25.4
108.05280	1.6
109.02887	3.9
109.10155	2.2
110.07159	2.2
115.03932	17.0
115.84904	0.9
115.86519	0.9
117.07001	1.4
119.08653	1.4
121.02886	3.2
121.06558	1.1
122.25667	1.2
123.04454	1.3
127.03899	16.8
129.06987	2.0
129.10266	1.0
131.08597	1.5
133.04958	17.0
133.06438	1.5
133.10118	2.3
135.11693	31.3
143.08531	1.4
145.04953	20.5
147.11687	1.4
150.07648	2.7
153.12755	1.2
159.08029	1.3
159.11760	2.1
163.05978	5.8
184.07332	3.8
189.12793	1.2
193.05000	2.1
201.12584	1.1
219.13901	1.4
223.06026	3.6
231.13890	2.1
232.05168	1.0
241.07051	3.4
249.14781	1.1
259.08218	5.7
263.17694	1.2
267.15887	2.0
295.10272	2.8
317.18192	0.9
330.60550	1.3
335.17786	1.1
464.27026	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.1
55.01863	5.2
55.05510	2.2
55.91223	0.7
56.48122	0.7
56.60671	0.7
57.03433	10.1
57.07073	1.2
59.04969	1.0
61.02925	9.0
67.05494	3.1
69.03429	19.4
69.07050	2.5
69.79633	1.9
69.80041	2.6
70.06590	4.8
71.01346	2.4
71.04988	1.6
72.08136	0.9
73.02914	59.9
79.05490	23.0
79.96482	0.6
81.03423	4.1
81.07049	2.9
83.04978	0.9
84.04488	1.4
84.08125	2.2
85.02902	53.2
86.09705	3.2
87.04467	2.7
91.03954	1.7
91.04965	1.3
91.05482	14.4
93.07038	100.0
94.07387	1.4
95.04962	7.4
95.08614	2.4
97.02888	35.4
99.04450	2.7
103.03923	2.5
105.04505	1.0
105.07026	4.7
107.04917	4.2
107.08590	26.3
109.02847	4.2
109.06534	1.5
109.10146	1.6
110.07143	2.2
111.04477	0.8
115.03922	19.4
117.07027	2.7
119.08609	1.4
121.02891	1.3
123.04456	0.9
127.03912	15.8
129.07011	2.0
131.05002	0.9
131.08592	1.2
133.04956	17.8
133.06464	1.3
133.10138	1.4
135.11687	41.4
136.11969	1.2
143.08537	1.6
145.04950	21.0
145.10101	1.4
147.08054	1.7
147.11719	1.7
149.05983	1.0
150.07643	1.6
159.08049	1.1
159.11703	1.0
163.06001	8.1
163.11256	0.9
171.11592	1.0
175.11316	0.8
184.07350	2.2
188.94858	0.9
193.04926	1.6
199.06061	1.0
217.07146	1.3
219.13931	1.1
223.06058	3.4
231.13878	1.2
241.07089	4.9
249.14926	1.3
259.08075	6.1
261.14804	1.1
267.15909	2.2
277.09198	1.3
279.16104	1.0
295.10126	2.1
297.17093	1.5
298.10620	0.9
464.19473	1.1
464.27631	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.1
56.05028	1.0
58.06606	0.9
60.08162	17.4
66.87501	0.3
67.05499	1.9
69.07060	0.6
70.06583	0.7
70.83900	0.8
71.07372	6.9
72.08146	0.5
79.05493	2.1
81.07049	1.5
83.04992	1.0
84.08125	0.4
86.09704	49.7
91.05465	1.9
93.07034	1.7
95.04987	0.7
95.08624	0.9
98.98466	3.9
104.10740	100.0
104.66946	0.4
105.07043	1.1
105.11075	0.7
107.04974	1.8
107.08578	0.4
117.06963	0.4
119.08573	1.0
121.02860	0.9
122.03210	0.4
124.99998	25.5
133.06389	0.4
147.11725	0.5
163.01559	0.5
171.11656	0.4
184.07335	81.9
185.07741	0.9
258.10974	0.8
281.17511	1.0
296.16022	0.3
320.84805	0.4
325.07428	0.4
416.41904	0.4
432.41803	0.3
446.23062	6.2
464.24100	19.8
465.24350	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
55.01860	0.5
55.05490	0.9
56.96528	0.3
57.03439	0.5
61.02922	0.3
65.47832	0.3
65.96420	0.4
67.05499	2.3
69.03417	0.6
69.07056	0.9
71.59414	0.5
77.03903	0.4
79.05495	2.9
81.03405	0.6
81.07044	2.4
82.07373	0.4
83.08640	0.4
85.02911	0.4
91.03926	0.4
91.05468	1.1
93.07034	1.2
94.06565	3.4
95.04960	2.5
95.08588	1.2
96.08124	0.5
97.02869	0.5
97.10184	0.4
105.04541	0.5
105.07023	0.8
107.04947	100.0
107.08583	1.0
108.05283	1.0
109.10155	0.4
111.66853	0.3
112.07636	0.5
119.08578	0.5
120.45604	0.3
121.06489	1.4
121.10102	0.4
122.06031	0.8
124.07583	7.4
131.08656	0.3
133.10101	0.4
135.11723	0.6
143.08525	0.4
146.99663	0.3
149.13229	0.6
150.09093	0.3
184.07501	1.7
186.09154	0.3
198.09171	0.7
200.10617	0.4
206.15327	0.4
211.07370	0.4
212.10802	0.3
216.13829	0.7
227.12883	0.4
228.10413	0.4
230.11742	0.7
234.14931	1.2
242.11931	0.5
252.15938	19.3
264.15936	0.5
290.11929	0.4
304.13348	0.6
322.20105	0.3
334.14526	0.4
335.14594	0.8
336.15942	0.9
356.18393	0.7
358.20099	24.1
359.20291	0.5
370.19788	0.4
464.24298	21.2
465.24762	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	0.4
58.06596	0.5
59.07409	0.3
60.08167	6.7
67.05493	0.6
69.86050	0.7
69.86465	0.8
70.06577	0.6
71.07370	2.8
79.05479	0.6
81.07050	0.8
83.04985	0.3
86.09707	32.6
91.05469	0.5
95.04980	0.3
95.08582	0.3
98.98470	3.0
99.93703	0.2
104.10754	3.1
105.07026	0.5
107.04964	0.7
119.08582	0.5
120.08091	0.3
125.00005	20.9
131.08553	0.3
143.01054	0.4
158.37584	0.3
179.14378	0.3
184.07343	100.0
232.55936	0.3
266.05969	0.3
276.72464	0.2
356.90134	0.3
446.22958	1.0
464.23904	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	464.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.7
52.23734	1.0
53.03933	2.9
55.01867	2.4
55.05513	5.6
57.03445	6.3
65.03928	1.2
67.05506	12.2
67.34167	1.1
69.07065	3.9
69.26961	12.2
70.06577	3.9
71.04974	2.2
72.08149	1.1
78.34809	1.1
79.05494	16.8
81.03407	1.4
81.07042	6.2
83.04993	1.7
83.08614	2.6
84.04551	1.0
84.08146	2.5
86.09699	4.2
91.04956	1.7
91.05485	16.8
93.07050	12.4
95.04983	7.7
95.08614	12.2
96.77843	1.0
97.10199	1.6
98.06070	1.2
98.21536	2.5
98.98468	1.6
104.10789	1.3
105.04473	1.2
105.07014	10.9
107.04956	100.0
107.08578	3.0
108.05252	1.4
109.06522	0.9
109.10168	4.1
111.08105	1.0
115.11095	0.9
117.07019	4.6
119.04964	3.0
119.08576	6.7
121.06499	3.7
121.10145	1.3
124.99984	1.7
125.09684	1.7
129.06990	3.7
129.10271	1.1
131.04918	5.4
131.08553	2.7
133.06499	16.7
133.10065	1.6
136.06149	2.5
137.09625	3.1
143.08591	2.6
145.06525	3.8
147.08022	6.3
147.11758	1.7
149.09576	3.1
157.06525	2.9
159.11681	1.8
161.13190	1.8
163.03831	1.2
171.08099	1.7
171.11699	1.5
175.14902	1.3
184.07352	4.5
185.09639	1.7
185.13243	4.1
203.14339	3.0
213.12752	3.5
221.15276	2.0
231.13876	3.4
243.08932	1.2
249.14893	13.4
261.04471	1.1
267.15878	2.6
274.18192	2.0
277.17941	1.3
279.19479	1.6
292.19159	3.5
305.17508	23.3
323.18530	59.9
324.18878	2.6
348.21661	10.2
428.18250	2.6
446.19522	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.5
56.05019	1.2
60.04514	0.4
61.01138	0.8
63.29801	0.3
67.05479	0.4
68.05021	0.4
69.03423	0.4
69.81683	1.7
70.06593	8.0
71.06904	0.5
72.08144	2.0
72.74289	0.2
74.06067	0.3
76.02241	0.5
79.05476	1.0
81.03406	0.8
81.07063	0.4
83.06105	0.5
84.04507	2.1
84.08142	3.8
85.02901	0.8
86.06062	0.4
86.09702	4.4
87.05574	0.3
88.04012	0.6
91.05473	1.1
94.04174	2.6
95.04995	0.4
95.06139	0.4
97.02917	0.4
98.06055	0.4
98.20781	0.5
102.05526	0.4
104.05315	0.9
107.04966	1.0
110.07172	2.0
111.82724	0.3
115.08707	0.5
116.92048	0.3
120.08109	2.3
122.03648	6.1
126.05470	0.4
129.10226	2.3
129.22162	0.3
130.04976	0.5
131.04901	0.4
133.06412	0.3
134.06903	0.4
136.07585	0.5
137.05974	100.0
138.06306	1.2
143.11827	0.4
146.06357	0.6
162.02161	0.4
167.25243	0.3
172.88921	0.3
179.04832	0.5
181.09758	0.3
184.07355	0.7
193.12186	0.3
194.12572	0.5
470.71225	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.4
55.01868	3.8
55.05505	17.9
56.96551	2.4
57.03431	5.5
57.07066	2.4
61.02918	2.8
63.54851	0.7
65.03926	2.8
67.05499	72.5
69.03417	3.5
69.07063	24.6
69.56773	1.6
69.57184	4.0
70.06581	4.1
71.04993	5.5
72.08135	1.8
73.02908	1.8
77.03932	1.7
79.01579	0.6
79.05488	53.5
81.03413	7.7
81.07050	100.0
83.04980	6.7
83.08614	19.8
84.04495	1.4
84.08157	1.5
84.96063	0.9
85.02906	4.5
85.06538	6.2
86.09689	1.3
87.04464	2.2
91.03938	2.0
91.04888	1.5
91.05473	38.6
93.07036	58.5
94.06564	1.1
94.07394	0.8
95.04958	11.5
95.08601	24.3
96.08131	1.9
97.02886	3.1
97.06520	9.9
97.10152	3.6
98.06035	1.1
98.97586	2.6
99.04497	0.9
99.08083	3.4
102.16284	0.8
103.05451	1.4
105.04535	0.7
105.07025	19.2
107.04947	13.1
107.08585	36.7
108.05284	1.4
108.08134	1.5
109.02897	0.9
109.06522	4.0
109.10151	7.1
110.09672	3.4
111.04530	0.8
111.08067	7.5
115.05431	0.9
116.98613	2.2
117.07012	15.0
118.06516	1.1
119.08553	7.3
120.08105	2.9
121.02828	0.8
121.06502	4.5
121.10128	15.9
122.06016	0.8
123.04420	0.9
123.08038	2.1
123.11710	7.1
125.09622	1.7
127.03883	1.3
129.06995	4.7
131.08568	15.4
133.06473	0.8
133.10121	22.1
134.09714	1.1
134.99695	1.4
135.08052	3.1
135.11681	13.0
136.07553	1.4
137.06001	1.3
137.09618	1.2
138.09100	4.2
139.11203	1.9
140.10728	1.5
142.07706	0.8
143.08571	2.7
145.06439	0.8
145.10103	5.2
146.99670	1.2
147.08046	1.2
147.11650	3.8
149.09628	2.0
149.13245	29.8
150.09081	1.0
151.07516	1.2
151.11185	2.2
153.09181	1.1
155.08534	1.6
157.10155	2.8
158.11803	3.4
159.08105	0.8
159.11684	15.6
161.09625	1.5
163.11185	0.8
166.08649	8.6
167.08682	1.0
167.14360	2.2
169.10187	1.3
171.11681	1.4
173.11794	1.0
173.13260	1.5
175.11166	0.8
177.00768	0.9
177.12740	9.4
183.11734	0.9
184.07414	1.1
185.13292	1.2
193.12257	1.3
195.13799	14.2
197.13309	0.9
199.14922	1.0
204.08163	1.1
205.12363	1.2
211.14915	0.9
213.14838	2.8
217.15942	0.8
219.01877	1.1
222.09163	2.2
223.14789	1.3
232.34500	0.8
233.08412	0.7
233.15527	0.7
237.02913	2.2
238.08626	1.5
241.15927	1.0
243.15907	2.6
245.04790	1.6
250.08565	7.3
250.10468	0.6
259.08945	0.8
266.08112	1.5
267.09024	1.4
269.17468	4.0
278.08075	8.3
282.11502	0.8
283.10999	0.9
285.10202	2.5
298.10709	1.6
301.07141	2.6
310.10764	6.4
312.14487	2.0
313.14886	2.5
323.10727	0.8
335.23672	1.7
343.26306	1.9
353.24719	4.1
356.20557	2.1
357.21100	1.8
371.25830	4.3
389.26929	3.8
394.99857	3.2
403.16681	0.9
427.28024	1.2
431.16089	2.8
441.60229	0.8
445.24509	0.7
445.29773	8.0
446.27646	1.4
463.25339	4.8
463.30685	56.7
464.17703	1.2
464.30527	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	463.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52414	1.3
53.03936	5.6
54.10731	1.2
55.01863	4.6
55.05510	19.8
55.78207	1.4
56.96560	8.8
57.03438	9.9
57.07072	17.9
59.04985	1.2
61.02924	6.9
65.03928	3.8
67.05500	89.0
69.03411	6.1
69.07064	61.2
70.06580	10.5
70.07391	2.8
70.07824	1.7
71.04978	6.6
71.08620	4.1
71.95276	1.3
73.02908	7.8
76.86520	1.5
77.03948	1.8
79.05486	53.5
81.03413	6.1
81.07053	100.0
83.04972	7.0
83.08611	19.5
84.08138	3.7
85.02885	8.3
85.06546	5.1
85.07531	1.1
85.10186	1.8
86.09719	3.7
88.07618	5.6
89.06035	7.0
91.03948	5.2
91.05474	34.7
93.07038	69.4
95.04961	10.2
95.08601	27.6
97.02885	8.8
97.06535	13.2
97.10178	2.8
99.08069	4.4
101.02418	1.8
102.09169	3.9
105.04546	1.4
105.07032	18.1
107.04980	3.0
107.07852	2.6
107.08584	38.9
109.06517	5.8
109.10140	13.3
111.08082	9.0
114.09150	2.8
115.07558	4.6
116.98575	1.5
117.06997	13.1
119.08578	9.7
121.06519	5.8
121.10131	27.9
123.11696	4.6
127.03902	2.1
127.07561	1.4
129.01047	3.8
129.06999	2.6
131.00745	2.9
131.08568	16.2
133.06497	1.5
133.08632	2.0
133.10114	16.0
135.08067	4.7
135.11653	11.0
139.11166	2.3
141.01015	3.9
145.10146	3.7
147.08078	1.7
147.11703	4.4
149.09639	1.6
149.13255	41.9
151.11201	2.7
155.02538	1.9
155.08594	2.2
157.10214	2.0
159.11676	20.5
160.05447	1.4
167.03714	1.6
169.01601	1.6
169.03250	1.3
171.11656	1.6
173.11795	1.6
177.11278	2.1
177.12671	9.8
185.04938	1.6
195.11928	2.2
195.13771	15.9
197.07318	9.6
198.07614	3.7
199.06984	5.4
203.05833	2.8
204.63641	1.4
209.32059	1.4
213.14873	2.4
219.05196	1.3
219.13864	2.0
223.06090	1.6
241.09274	1.9
247.08511	1.3
267.08981	15.2
285.10080	36.2
286.10464	3.7
287.05444	2.3
290.10690	1.6
296.33133	2.0
303.11053	3.2
308.11719	5.4
312.32693	5.9
313.32947	10.6
315.10681	2.2
324.11447	8.1
335.25797	5.5
343.76184	2.7
353.24548	1.8
357.35617	1.5
365.77441	4.2
366.27679	1.3
371.25754	2.7
383.09921	2.0
387.78369	3.1
389.27097	2.2
397.11023	1.7
401.37918	1.5
435.15030	2.3
440.15472	7.1
445.29413	4.6
445.41125	1.9
454.22037	2.1
458.16635	3.7
462.41461	3.2
462.83286	33.9
463.10553	3.0
463.16751	2.1
463.30045	50.8
463.41373	21.1
463.83621	5.5
464.09464	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	463.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	3.3
51.14671	2.3
53.03935	7.2
53.61852	2.5
55.01875	6.1
55.05292	2.9
55.05508	30.1
55.93530	2.6
56.96554	3.2
57.03420	11.4
57.07062	7.9
61.02903	7.0
65.03924	5.6
67.05498	100.0
67.76262	2.4
69.03410	5.1
69.07064	38.9
70.04079	3.2
70.95846	6.0
71.04974	7.2
71.60807	3.7
72.93788	3.0
73.06509	3.0
77.84615	2.8
79.05056	4.7
79.05487	68.9
79.05955	4.1
80.05816	3.1
81.03408	10.6
81.07052	85.9
83.04964	9.6
83.08618	18.5
84.79971	2.7
85.02899	7.6
85.06522	4.5
85.63997	2.4
91.03974	3.4
91.05473	88.1
93.04432	2.7
93.07033	78.5
95.04958	19.4
95.08592	56.0
97.02883	7.0
97.06519	11.7
97.10159	9.3
103.05447	3.5
105.07019	70.4
106.07391	2.7
107.04919	15.4
107.08585	40.7
109.06504	9.9
109.10162	24.4
111.04471	2.9
111.08087	5.8
115.05438	4.8
117.07008	33.0
119.08562	43.1
121.06508	10.7
121.10134	22.6
123.08084	5.2
123.11707	4.9
127.03959	3.9
128.06219	4.6
129.07016	20.7
131.08554	62.2
133.06496	3.5
133.10106	32.4
135.08090	5.1
135.11670	12.1
137.09671	3.6
141.01022	3.6
141.06996	8.9
143.08533	20.8
145.06461	5.3
145.10106	37.1
147.08026	8.9
147.11668	11.9
149.09569	7.3
149.13255	10.7
151.11116	3.7
155.08528	12.4
157.10150	16.8
159.11685	20.6
161.09586	6.1
161.13217	4.4
163.11127	7.3
164.96815	2.7
167.08521	3.3
168.09241	2.7
169.10107	11.9
171.11720	13.3
173.09711	6.6
173.13214	6.3
175.14807	2.6
177.12622	4.8
181.10080	7.6
181.12187	4.0
183.11632	7.6
185.13223	6.0
187.14825	3.9
189.11156	3.1
195.11784	4.1
195.13754	7.3
197.13312	7.4
199.14827	6.9
201.12729	6.4
203.05179	5.6
207.11600	3.3
209.13254	5.0
211.14851	7.0
213.12752	3.2
217.06738	4.0
221.02681	4.0
223.14801	4.2
225.16420	3.3
227.12679	6.4
231.08572	2.5
233.15399	3.9
239.28964	2.8
243.17339	2.7
247.16875	6.7
250.00142	2.5
254.97777	5.5
259.16867	3.4
268.99435	3.9
273.18439	5.0
303.11386	3.2
325.25320	12.0
335.23648	10.0
343.26392	19.1
353.24689	35.7
371.25781	49.0
383.09497	5.9
389.26852	48.1
422.13721	3.2
427.28531	4.1
435.15292	5.2
440.15573	27.1
445.29459	97.7
458.16440	19.3
463.17157	6.3
463.25311	2.9
463.30743	53.7
464.17609	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	463.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13213	1.9
52.67700	1.8
53.03940	6.5
55.01874	5.7
55.05508	29.2
56.96568	3.9
57.03432	12.7
57.07072	6.9
61.02939	4.9
65.03943	3.7
67.05500	100.0
69.03431	4.9
69.07067	38.5
70.04050	3.1
71.01347	2.1
71.04965	9.1
73.02944	4.5
79.05488	66.7
81.03423	6.0
81.07051	97.0
83.04962	9.3
83.08611	21.1
85.02907	4.9
85.06544	6.4
90.43922	2.4
90.71523	1.8
91.03978	3.4
91.05473	76.0
92.82053	2.1
93.07037	80.9
95.04964	19.1
95.08603	45.2
97.02908	4.1
97.06503	14.7
97.10155	4.6
99.04472	2.4
99.08096	3.8
103.05494	3.3
105.04531	2.4
105.07024	57.1
107.04962	6.4
107.08584	43.6
109.06512	9.6
109.10145	15.7
109.40606	1.9
110.16637	2.0
111.08090	8.3
115.05479	4.6
117.06992	30.8
119.04958	2.3
119.08575	36.1
120.41732	1.9
121.06501	10.3
121.10136	27.9
123.08113	5.1
125.09637	4.7
128.06223	2.9
129.06964	18.3
129.13202	1.9
130.07831	2.1
131.08553	48.4
133.06454	4.6
133.10115	27.0
135.08072	6.3
135.11716	14.5
137.09607	3.0
141.06998	7.6
142.07796	2.6
142.57597	1.8
143.08560	17.0
145.06474	4.0
145.10117	25.8
147.08040	4.6
147.11745	9.3
149.09621	5.5
149.13249	26.2
151.11214	4.5
154.07666	1.9
155.08539	11.4
157.10106	14.5
159.11676	22.2
161.09648	4.7
161.13258	4.6
165.12769	2.3
167.08572	4.9
169.10121	10.8
171.11720	7.6
173.13324	5.5
175.11339	2.3
177.12781	6.0
181.10182	4.8
183.11743	5.6
185.09494	2.4
185.13309	7.0
187.11165	3.9
187.14932	3.9
191.03783	2.0
195.11719	6.3
195.13844	7.5
197.13322	7.0
199.11371	2.1
199.14865	3.2
201.12746	2.9
209.13264	4.3
211.14839	3.3
213.12875	2.4
221.15225	2.3
222.02512	6.5
223.14883	2.9
225.16515	2.3
233.15376	3.3
237.16495	3.2
240.03395	11.2
241.16118	2.4
245.11617	3.6
247.14816	2.3
247.16989	4.5
252.20468	1.9
259.16928	3.0
261.18610	3.3
273.18372	2.5
287.05508	3.2
320.09912	5.1
325.25327	5.9
331.68033	2.2
335.23874	9.0
338.10986	6.8
343.26373	12.8
353.24734	31.0
371.25696	37.5
371.29782	2.7
389.26797	39.2
445.29446	48.9
463.30615	84.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.8
55.01855	7.5
55.05500	29.3
56.96555	8.1
57.03422	14.2
61.89037	6.9
65.03941	9.0
67.05504	77.6
69.07054	26.4
71.08619	26.7
71.11339	10.6
72.75385	9.1
79.05505	38.4
81.03400	8.7
81.07058	73.7
83.08608	20.5
84.48404	8.9
91.05476	42.0
93.07049	59.4
95.04954	16.2
95.08598	31.7
97.06503	10.8
97.10128	9.0
99.08076	20.0
105.07021	38.4
107.08582	36.4
109.06541	10.9
109.10149	20.8
113.00018	78.9
117.07028	10.9
119.08544	21.9
121.10150	24.1
123.08125	9.6
131.08566	13.9
133.10132	19.0
135.11676	30.1
142.49066	6.7
147.11736	10.4
149.13297	14.6
151.11208	20.7
159.11717	10.7
161.13228	15.3
167.39247	6.9
169.02597	14.5
171.11687	9.5
179.14362	50.0
205.60881	6.8
259.20505	17.8
277.21570	44.6
322.24384	16.4
351.25269	100.0
386.73224	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	2.1
51.02349	2.0
51.89356	1.9
53.03939	6.2
54.38158	2.0
54.93264	1.9
55.01859	3.0
55.05512	24.7
55.93523	4.7
57.03432	4.2
57.07068	22.1
58.06590	3.7
61.02926	3.7
65.03936	5.5
67.05502	90.3
69.03435	6.0
69.07062	50.7
70.04073	3.5
70.06591	12.6
70.95862	6.6
71.04979	6.6
71.08618	7.1
71.59730	3.4
72.08156	4.3
72.93775	4.7
73.02908	23.1
73.06553	5.0
79.05051	4.4
79.05489	58.6
80.05497	5.5
81.03410	13.1
81.07050	100.0
82.07388	2.8
83.04965	7.4
83.08615	23.3
84.08151	4.2
85.02903	7.7
85.06528	5.5
86.09698	7.1
87.04460	6.6
88.02998	2.1
88.07632	4.7
88.96868	2.9
89.06023	33.5
90.94815	2.8
91.03980	3.1
91.05476	43.4
93.06456	4.9
93.07042	78.3
95.04966	15.8
95.08601	30.9
97.02905	3.2
97.06514	12.1
97.10192	3.0
99.08059	4.2
99.22717	2.0
102.06785	4.2
102.09169	3.2
103.05435	3.0
105.07025	51.0
106.13400	2.2
107.04962	6.5
107.08587	38.1
108.17825	2.7
109.06510	2.4
109.10150	14.6
111.08089	12.0
113.06010	2.3
114.09165	3.9
115.07596	3.0
117.07003	13.9
119.08546	11.9
121.06481	19.0
121.10148	24.5
123.11742	4.2
127.03901	3.2
129.06964	5.3
131.08577	24.2
133.08617	13.4
133.10129	14.2
135.08044	3.2
135.11690	14.2
143.08597	2.8
145.10109	4.8
147.08011	4.6
147.11690	5.5
149.09682	2.8
149.13251	48.0
150.98436	2.7
151.11214	2.6
154.20869	2.1
155.08624	2.5
157.10149	2.5
159.11647	22.3
165.09129	3.2
169.10083	3.1
173.11749	2.7
173.13202	2.6
176.99942	2.9
177.11285	4.6
177.12759	7.3
180.99478	2.3
184.07384	2.2
190.96301	3.6
191.01717	2.6
195.13785	14.2
196.98970	2.3
197.07249	6.1
199.06917	2.7
209.11794	3.0
213.14830	3.6
219.13759	3.7
254.97722	6.8
267.08875	4.3
268.30017	4.9
268.99167	4.0
269.30215	2.6
285.10117	8.3
287.05392	3.1
294.31540	2.8
296.33093	6.0
312.32556	6.7
313.32825	11.2
323.60965	2.7
343.76077	2.9
344.26138	3.8
357.35651	3.3
365.77573	6.6
366.27789	4.5
371.25729	2.8
383.09698	7.5
387.78851	5.5
388.29007	4.0
395.09695	4.7
397.11301	10.6
417.13766	5.1
420.12573	4.2
435.14941	15.4
440.15549	37.1
445.29538	3.3
458.16702	22.0
462.83310	71.6
463.16974	8.3
463.30850	47.3
463.41995	18.5
463.83432	7.7
466.26758	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	463.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.8
55.01855	7.5
55.05500	29.3
56.96555	8.1
57.03422	14.2
61.89037	6.9
65.03941	9.0
67.05504	77.6
69.07054	26.4
71.08619	26.7
71.11339	10.6
72.75385	9.1
79.05505	38.4
81.03400	8.7
81.07058	73.7
83.08608	20.5
84.48404	8.9
91.05476	42.0
93.07049	59.4
95.04954	16.2
95.08598	31.7
97.06503	10.8
97.10128	9.0
99.08076	20.0
105.07021	38.4
107.08582	36.4
109.06541	10.9
109.10149	20.8
113.00018	78.9
117.07028	10.9
119.08544	21.9
121.10150	24.1
123.08125	9.6
131.08566	13.9
133.10132	19.0
135.11676	30.1
142.49066	6.7
147.11736	10.4
149.13297	14.6
151.11208	20.7
159.11717	10.7
161.13228	15.3
167.39247	6.9
169.02597	14.5
171.11687	9.5
179.14362	50.0
205.60881	6.8
259.20505	17.8
277.21570	44.6
322.24384	16.4
351.25269	100.0
386.73224	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	2.7
55.01830	2.1
55.05506	13.4
56.96537	1.3
57.03399	3.0
57.07037	1.3
61.02901	0.9
64.01851	0.7
65.03931	3.9
67.05501	44.0
69.03392	2.5
69.07063	15.1
70.06565	1.7
70.30965	1.2
70.31367	1.7
71.04958	2.8
72.08106	0.7
77.03895	0.8
79.05489	29.3
80.04973	1.5
81.03417	6.0
81.07053	53.7
82.06535	2.9
83.04986	4.8
83.08610	11.7
85.02872	2.0
85.06497	2.6
87.04412	0.7
89.65073	0.8
91.05473	28.1
93.03387	1.0
93.07038	43.2
94.06561	10.3
94.07146	1.3
95.04970	7.8
95.06744	0.8
95.07340	10.9
95.08011	1.2
95.08598	16.5
96.08132	21.4
97.02863	1.8
97.06538	8.7
97.07132	1.2
97.10163	3.5
98.21434	1.1
99.04428	0.9
99.08057	1.2
103.05420	3.1
103.78961	0.7
105.05781	0.9
105.06391	1.0
105.07024	15.5
107.04967	6.4
107.08590	20.4
108.08109	10.8
109.02844	0.9
109.06514	3.5
109.08893	1.5
109.10159	7.1
110.09676	39.4
111.04430	0.6
111.08060	4.7
111.09889	0.7
115.05422	0.9
117.07004	9.0
118.06460	0.8
119.04838	0.7
119.07939	0.6
119.08580	7.8
120.08101	24.2
121.02783	0.8
121.06487	4.1
121.10146	8.9
122.06004	1.3
123.04364	1.2
123.06793	1.8
123.08022	2.1
123.11693	4.3
125.09586	3.0
127.03867	1.2
128.26389	0.6
129.07018	3.7
129.10233	1.0
131.08568	10.0
133.06468	0.9
133.10129	13.0
135.08029	2.7
135.11673	9.2
136.07559	5.8
137.05940	2.7
137.09660	1.1
138.09129	46.9
139.09410	0.9
141.06976	1.5
143.08536	3.0
145.06473	0.7
145.10114	4.3
147.08015	1.6
147.11636	2.9
148.07561	7.5
149.09596	1.1
149.13252	16.5
150.55664	0.7
151.11139	3.1
153.06995	1.0
155.08499	2.2
157.06512	1.8
157.10071	2.9
159.08047	1.0
159.11690	7.8
161.09605	1.0
163.11240	0.9
165.06992	2.0
166.08630	100.0
167.08655	3.5
169.10135	1.5
171.11633	1.3
173.09633	0.8
173.11745	0.7
173.13264	1.6
177.06950	2.6
177.12744	4.6
180.08037	0.9
181.06462	2.3
183.11679	1.7
185.13165	1.2
189.11130	0.8
191.14340	0.7
192.08076	1.9
193.12231	1.4
194.09622	6.0
195.07970	2.7
195.13786	8.7
196.07538	1.7
204.08067	9.6
205.06374	1.1
205.08722	1.0
207.06787	7.9
208.07497	1.2
210.09077	1.8
213.14819	1.8
216.06572	1.0
219.13773	2.0
220.07558	5.9
221.08275	3.4
222.09114	23.5
223.06300	2.5
223.09723	0.9
229.07466	0.9
231.17368	1.0
232.07520	6.2
233.08321	5.7
234.08986	1.2
235.06273	8.8
236.06998	1.9
237.07771	1.6
238.08627	13.5
240.10110	0.8
249.07848	7.4
250.08618	99.3
251.05920	1.9
251.08923	3.4
251.16461	0.8
253.14249	1.0
260.07071	2.0
261.07858	1.1
266.08099	22.8
267.08578	0.9
269.10596	1.8
275.20062	0.9
277.07339	2.2
277.18057	1.9
278.08102	97.2
279.08368	3.4
282.11264	12.1
285.10129	1.1
287.11572	0.9
298.10718	22.2
299.11432	0.9
309.22116	0.9
310.10703	92.2
311.11127	2.1
335.23862	1.8
343.26331	1.6
351.21500	0.9
353.20947	0.9
353.24844	2.9
357.16116	2.1
371.25641	2.3
375.17270	1.7
385.15308	3.5
389.26901	3.3
403.16544	10.3
413.14990	2.4
431.16019	39.9
432.16315	1.7
445.17542	4.3
445.30084	5.6
463.19016	2.8
463.30719	38.5
464.18835	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01680	0.8
53.03931	1.9
55.01877	4.4
55.05511	1.4
56.96545	1.0
57.03437	1.3
65.03939	3.4
67.05495	3.2
69.03426	1.1
69.07065	1.3
70.06583	6.0
71.59126	1.2
72.08154	2.8
79.05488	4.0
81.03410	3.5
81.07073	4.5
83.04977	1.4
83.08611	1.2
84.08115	4.4
86.09709	6.5
87.16161	0.9
91.05479	7.4
93.07040	5.3
95.04964	7.6
95.08630	1.7
97.10149	0.9
98.98495	2.7
103.05444	5.6
104.10732	2.6
105.07027	3.6
107.04951	100.0
107.08617	1.8
109.10158	1.2
110.07153	1.1
111.04433	2.7
113.00025	1.1
115.05476	2.3
117.07027	2.9
119.04929	2.8
119.08595	1.8
120.08085	3.8
121.02863	73.4
121.06494	9.5
121.10157	1.3
122.03152	1.1
123.04433	9.6
125.00011	1.9
125.09616	1.3
128.06219	3.9
129.07007	1.9
129.10222	1.6
131.04935	13.7
131.08528	1.7
133.06502	5.2
133.10201	1.1
135.04405	1.9
143.08521	2.0
144.05754	1.1
145.06467	6.9
145.10159	0.9
147.04434	2.9
147.08026	1.8
149.05986	20.3
155.04861	1.2
155.08542	2.0
157.06462	3.9
159.08037	3.4
161.05949	1.8
161.09491	1.2
165.06958	2.1
167.08536	1.4
171.08049	15.7
173.05956	6.2
175.07567	6.4
177.06934	2.1
178.07787	1.4
183.08049	2.1
184.07367	4.0
185.05942	2.8
190.07660	1.3
191.07034	12.1
191.08572	1.3
194.07263	1.4
195.08067	3.6
202.07819	1.6
203.07066	2.5
207.07973	1.2
215.08586	2.1
218.07294	2.0
219.08038	3.5
223.07561	2.4
225.09087	2.7
231.08095	2.5
232.08836	1.1
233.09714	1.9
235.07668	1.6
236.08292	1.0
237.09106	4.8
239.06995	4.1
247.07556	1.4
249.09087	3.7
251.07050	7.0
251.10748	1.2
261.09207	6.5
266.09256	1.3
267.10083	6.6
269.08139	2.8
275.10654	1.0
277.08633	3.3
277.12213	4.6
277.21658	2.2
278.09250	1.3
279.10150	15.1
285.09164	1.5
289.12167	1.3
291.10126	2.8
297.11234	2.9
303.10150	3.8
309.11337	1.6
321.11325	6.0
339.12305	2.6
351.25327	2.3
385.14352	5.6
397.14230	3.7
415.15479	2.5
427.15369	1.5
428.60184	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1231
Annotation	Tamarixetin 3-rhamnoside
Peak:m/z	Relative Intensity
50.96351	0.4
53.03930	1.2
54.03351	0.4
55.01849	0.8
55.05497	1.5
56.05028	0.6
57.03428	2.5
60.07036	0.4
61.02906	1.4
67.05487	1.9
68.66338	0.4
69.03432	1.5
69.07059	0.8
70.06586	3.9
71.04991	19.3
71.60127	0.8
72.08158	0.9
73.02901	1.0
75.04468	0.6
78.23309	0.4
79.05481	1.6
79.69827	0.4
79.99986	0.4
80.05016	0.7
81.03409	1.4
81.07075	2.1
81.87224	0.4
83.04974	1.2
83.08633	0.5
84.04504	1.1
84.08134	1.8
85.02903	20.5
86.09705	2.3
87.04456	1.0
91.03925	0.7
91.05450	1.4
93.03432	0.5
93.07039	1.6
95.04973	1.5
95.08605	0.9
97.02855	0.9
97.06519	1.0
99.04454	0.7
99.27428	0.5
103.05449	0.5
105.07044	0.8
107.04949	5.5
107.08597	1.0
107.50921	0.4
108.05244	0.6
108.08132	0.5
109.02876	0.6
109.10155	0.6
110.09679	0.5
111.04449	0.7
117.07040	0.7
119.08614	0.6
120.08109	1.4
120.62434	0.4
121.02857	1.2
121.06476	0.6
121.10178	0.5
123.04440	2.5
127.03908	0.5
129.05467	4.7
129.10231	0.8
131.08527	0.6
133.10109	1.1
136.07596	0.8
137.02388	2.1
145.10109	0.5
147.06557	0.6
149.02309	0.6
151.03952	0.6
163.03870	0.7
166.08655	1.0
167.03394	4.1
174.66508	0.4
179.03391	2.1
187.07506	0.6
197.04414	0.8
200.04608	0.4
215.07013	1.5
222.09195	0.5
228.04274	0.6
237.10367	0.4
243.06586	3.9
245.04578	0.8
250.08473	0.7
261.07587	1.0
269.17664	0.6
271.06030	2.4
274.04810	3.6
288.06140	0.7
299.05417	0.8
301.12137	0.5
302.04163	2.4
312.14456	0.8
317.06555	100.0
318.06873	2.8
329.06680	0.7
355.08167	0.5
356.20602	0.5
359.07513	1.0
463.18829	0.9
463.25278	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	463.1233
Annotation	6-C-Methylkaempferol 3-glucoside
Peak:m/z	Relative Intensity
53.03929	0.4
55.01855	0.5
55.05505	0.2
56.96556	0.2
57.03440	0.7
59.04996	0.1
61.02922	1.5
65.03936	0.1
67.05486	0.5
69.03425	3.0
69.07077	0.1
69.44191	0.9
70.06586	0.2
71.04984	0.4
73.02913	0.6
79.05469	0.4
81.03411	1.6
81.07038	0.6
83.01337	0.2
83.04994	0.2
85.02900	8.2
87.04456	0.3
89.06034	0.2
91.03951	0.5
91.05448	0.3
93.07029	0.3
95.04942	0.4
95.08601	0.1
97.02887	2.7
97.06544	0.1
99.04436	0.5
103.03950	0.1
105.03371	0.3
105.07016	0.3
107.04953	2.0
107.08572	0.2
109.02869	0.8
109.10132	0.1
111.04455	0.2
111.51873	0.1
119.08681	0.1
121.02861	2.3
121.10100	0.2
123.04398	0.4
124.01548	0.6
125.02330	0.3
127.03899	1.4
129.06961	0.1
131.08521	0.1
133.02837	0.2
134.03587	0.2
135.04381	0.1
141.05476	0.3
145.04968	1.2
147.04355	0.4
147.11604	0.1
151.03931	0.7
151.82362	0.1
167.03394	2.7
177.12762	0.1
177.82384	0.1
179.03432	1.2
184.05090	0.1
193.12250	0.1
195.04300	0.1
195.92990	0.1
197.04407	0.5
197.05995	0.1
199.07576	0.2
212.04648	0.6
213.05502	0.1
227.07043	1.1
241.04993	0.1
241.07436	0.3
245.08083	0.5
254.11790	0.1
255.06569	0.8
257.04599	0.6
257.06931	0.1
258.05215	5.9
259.05884	0.2
259.08331	0.6
267.09036	0.4
267.15887	0.2
269.17477	0.1
272.06705	0.7
273.07541	0.3
277.09650	0.2
285.10141	0.6
286.04700	3.8
301.07037	100.0
302.07397	2.6
311.10657	0.3
315.10956	0.3
317.06403	0.1
324.11392	0.1
420.17007	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	463.0697
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05018	0.4
56.24202	0.3
57.03433	0.4
60.23100	0.4
65.70643	0.3
67.78806	0.3
69.03414	0.9
70.06577	1.6
70.85854	1.1
72.08132	0.7
81.03398	0.5
84.04493	0.7
84.08128	1.2
85.02899	1.2
86.09711	0.9
88.81362	0.3
97.02886	1.5
107.04954	0.6
109.02817	0.5
119.01917	2.9
120.94622	0.4
120.95434	1.2
126.05598	0.4
127.03934	0.7
129.10229	0.5
131.01875	1.5
137.02954	0.8
138.96489	1.1
143.01901	1.5
145.03452	1.3
155.01900	1.6
156.97484	7.9
157.03453	0.5
161.02946	2.8
167.01924	0.5
173.02946	2.7
174.98531	15.9
180.97447	6.4
182.53596	0.4
185.02957	3.9
186.03084	0.4
194.99115	0.8
197.02975	1.6
198.98534	100.0
199.98630	3.2
201.00070	1.1
203.03961	1.7
210.98546	3.4
213.00127	1.9
215.03966	0.8
216.99591	46.3
217.99751	1.1
221.04730	0.7
222.00087	3.4
222.98526	2.4
225.00137	0.7
227.03923	0.5
228.99591	9.0
233.05061	0.4
234.98570	4.6
237.00237	0.5
240.01152	1.5
240.99573	16.5
241.99857	0.6
243.01350	0.5
245.05061	7.9
247.00684	2.3
252.99522	4.0
257.05109	0.6
259.00635	14.0
263.06039	1.5
264.99741	0.6
271.00546	1.5
275.06033	1.3
277.01672	4.1
282.02170	1.1
283.00629	10.6
284.00562	0.4
294.93051	0.7
301.01697	24.5
302.01782	0.5
305.07187	0.9
319.02682	7.4
324.03403	0.7
328.15640	0.4
342.04315	1.1
343.02692	4.1
361.03854	0.9
373.03821	1.1
403.05295	0.4
463.06812	4.5
463.12827	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	463.1232
Annotation	6-C-Methylkaempferol 3-glucoside
Peak:m/z	Relative Intensity
53.03924	0.4
55.01858	0.6
55.05497	0.4
57.03435	1.1
59.23195	0.2
60.86337	0.2
61.02927	1.4
67.05489	0.9
67.95255	0.2
69.03421	2.8
70.06569	0.4
70.08267	1.2
70.08540	0.3
70.08722	0.2
71.01376	0.2
71.04980	0.5
73.02919	0.5
73.04869	0.3
79.05476	0.7
81.03415	1.7
81.07034	1.0
83.08611	0.2
83.41541	0.2
85.02901	8.3
85.06543	0.3
87.04468	0.3
91.03952	0.6
91.05479	0.4
93.07013	0.7
93.84486	0.2
95.04958	0.6
95.08604	0.6
97.02883	2.8
99.04445	0.5
101.70970	0.3
105.03366	0.4
107.04936	3.2
107.08607	0.4
109.02867	0.9
109.10148	0.5
120.08092	0.3
121.02861	2.6
121.06485	0.4
121.10182	0.4
124.01556	0.7
125.02344	0.3
125.09601	0.3
127.03914	1.7
132.08084	0.4
133.02890	0.4
145.04936	0.7
145.06544	0.3
151.03874	1.0
159.11725	0.3
167.03409	2.8
179.03386	1.2
184.05252	0.3
197.04422	0.5
212.04695	0.7
219.13805	0.3
227.07043	1.0
241.04913	0.3
245.08162	0.5
251.06995	0.5
255.06334	0.5
257.04312	0.6
258.05228	6.4
258.07809	0.4
272.06680	0.6
286.04688	4.9
301.07043	100.0
302.07376	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	462.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01829	0.4
55.05507	1.9
57.03408	0.7
57.07072	10.2
58.06596	8.4
59.05003	1.7
67.05503	2.1
69.07063	4.0
70.04043	0.6
70.06552	0.9
71.08624	4.0
71.60351	0.4
72.08132	0.4
76.99725	0.3
79.05451	1.1
81.03394	0.5
81.07033	1.9
81.17545	0.4
83.08616	1.9
85.10181	1.9
86.09653	0.5
88.07584	1.2
89.05995	1.4
91.03959	0.3
91.05468	1.6
93.07034	1.6
94.07371	0.3
95.04917	0.9
95.08578	0.9
97.06478	0.4
97.10131	1.2
103.05433	0.5
105.07027	3.2
106.07347	0.7
107.04918	0.8
107.08575	0.8
109.10132	0.7
115.07550	0.4
118.07381	0.4
119.08546	0.4
121.06428	0.9
121.10065	0.5
129.00935	0.4
129.07010	0.5
131.08522	0.6
133.08592	0.5
141.00964	0.6
143.08389	0.4
147.08087	0.4
149.09549	0.5
149.13237	0.5
184.07271	0.6
186.46815	0.4
194.93449	0.6
197.07188	0.5
205.04236	0.3
207.05751	0.6
268.29971	68.4
269.30252	1.8
312.32553	2.6
397.11319	0.4
416.18839	0.5
434.19635	1.2
435.15027	0.9
440.15506	0.8
462.09332	0.9
462.41519	100.0
462.83383	1.1
463.30835	1.0
463.41965	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.3
56.05044	0.8
57.03434	0.8
57.06812	0.6
59.04996	4.2
60.04523	0.7
61.02914	0.7
67.05491	1.6
69.03423	5.1
69.07053	1.1
69.28001	0.5
69.36649	0.7
70.06201	0.6
70.06584	12.2
71.04981	1.1
71.13211	0.6
71.13532	1.5
72.08141	2.5
72.80689	0.6
73.02914	4.7
73.06556	3.0
74.06064	0.6
76.02210	0.7
79.05475	1.3
80.04969	0.7
81.03403	2.0
81.07047	1.2
83.04964	0.7
84.04492	3.5
84.08136	5.1
85.02899	2.7
86.06067	1.0
86.09698	4.0
87.04460	100.0
88.03983	1.0
88.04797	0.7
89.05470	1.1
89.06019	21.0
89.06557	1.4
91.03949	0.5
91.05472	1.4
93.07076	0.8
95.04450	0.6
95.04942	3.9
95.06071	1.1
97.02906	1.0
97.06516	1.9
102.05527	1.2
105.07030	0.7
107.04955	7.7
108.05318	1.1
109.10148	0.7
110.07164	1.6
111.04434	0.6
112.08689	0.8
113.06004	13.9
115.08647	0.7
116.07140	0.6
116.98621	1.0
117.09137	1.8
119.04911	1.0
120.08099	2.1
129.10229	1.8
130.04991	0.9
130.08716	0.8
131.04945	1.4
131.07028	13.6
133.08598	7.7
136.07608	1.5
137.02263	0.6
139.07571	1.3
143.27419	0.6
147.04414	2.9
148.04773	0.9
155.69743	0.6
157.08621	2.1
161.11649	0.8
175.09666	5.1
177.11211	3.8
179.04857	0.9
193.12239	1.1
201.11237	2.8
219.12299	5.2
244.10681	0.6
245.04810	1.4
258.15332	0.6
265.05466	0.7
275.05832	1.3
283.06323	3.0
289.16464	0.8
300.21704	1.7
301.07333	2.1
308.09381	0.6
325.07330	0.9
332.06857	0.6
343.08148	0.8
366.17709	0.7
366.37762	0.7
395.22787	2.8
411.51028	0.7
462.18124	0.8
462.27502	1.5
463.12686	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	11.8
57.03422	5.8
62.06092	37.0
65.03953	1.8
67.05181	2.3
67.05505	32.4
69.07069	10.8
70.06588	2.0
70.65315	4.0
70.65689	3.5
71.04970	1.9
79.05495	25.8
81.07063	27.6
83.08619	1.9
91.05479	12.7
93.07048	30.0
95.04954	4.0
95.08623	20.7
95.09191	3.2
97.06541	2.6
97.10183	2.8
98.98453	10.0
105.07037	11.3
107.04986	1.6
107.08614	12.8
109.06467	1.9
109.10139	8.5
111.77604	1.9
113.00021	3.9
117.07007	3.0
119.08592	12.5
119.74365	1.7
120.08920	3.5
121.10170	11.4
123.08103	2.1
123.11662	2.0
124.01646	2.3
131.08575	3.9
133.10112	5.3
135.08058	2.0
135.11678	7.1
142.02696	3.4
145.10158	4.3
147.11690	3.8
149.13225	4.7
155.01007	2.7
159.11678	3.5
161.13284	2.4
171.11575	2.3
173.02074	2.0
173.13272	2.7
175.14784	3.6
198.05255	3.0
216.06258	4.2
229.19484	3.5
247.20583	5.7
290.24844	11.0
321.24237	100.0
322.24585	5.9
351.25049	3.4
443.68689	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14886	1.5
53.03938	3.2
55.05515	13.3
57.03425	8.9
57.07075	2.3
67.05506	36.5
69.07078	11.5
69.26854	3.7
69.27264	14.1
71.08627	2.0
73.55016	1.5
79.05492	27.5
81.07062	27.1
83.04986	1.6
83.08621	4.8
85.06557	2.4
91.05473	20.5
93.07040	35.8
94.07373	2.8
95.04984	7.2
95.08611	20.9
97.06512	2.0
97.10187	1.9
98.98482	2.1
99.08140	1.8
105.07027	8.6
107.08604	16.2
109.06478	2.4
109.10152	9.4
111.08072	3.2
113.00091	2.0
113.38768	1.7
115.75401	1.8
117.07034	4.1
119.08600	4.2
121.10156	10.5
123.08101	2.0
123.11730	1.7
131.08566	5.6
133.10118	7.5
135.11714	4.9
137.13260	2.4
145.10127	2.9
147.11713	3.1
149.13283	11.9
173.13391	1.9
229.19524	7.3
247.20776	2.1
290.24741	3.2
321.24231	100.0
322.24582	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	462.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54534	0.5
60.04525	3.6
61.02925	1.1
69.03429	2.5
70.06593	3.0
70.12500	0.5
71.59256	0.6
72.08145	1.6
73.06530	0.7
74.06071	0.5
79.05489	1.0
81.03393	1.1
84.08132	1.2
85.02906	6.6
86.09692	1.5
87.04466	2.7
89.06026	100.0
95.04973	0.8
97.02888	1.9
105.73081	0.6
106.05057	0.9
107.04952	8.5
107.07063	4.8
109.02876	0.8
111.05951	0.5
120.08089	2.1
121.06553	0.8
123.04427	3.3
125.05967	1.5
127.03877	1.4
130.08629	0.7
133.08594	47.8
145.04967	0.6
145.06097	0.8
148.07574	3.9
151.09673	0.9
166.08659	4.7
177.11214	19.4
181.69754	0.5
195.12286	3.6
214.12234	1.3
221.13760	1.1
239.14841	2.5
250.10287	0.8
283.17496	95.8
284.17752	1.1
300.14462	1.9
315.05075	0.7
409.50592	0.5
462.22174	0.9
465.91760	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.3
55.05510	7.1
57.03442	8.4
57.06458	0.7
57.07064	1.0
65.03935	1.7
67.05505	34.7
68.05819	0.9
69.07065	8.3
69.61495	6.1
70.06594	0.8
71.04974	1.2
71.08629	1.0
75.02271	0.8
79.05490	24.2
81.06583	1.7
81.07057	32.2
83.04968	1.8
83.08627	4.0
85.02898	0.9
85.06525	0.9
91.05473	9.8
93.07043	18.3
95.04948	2.8
95.08609	23.9
97.06530	1.0
97.10156	1.4
98.98487	0.8
105.07029	6.3
107.08600	14.8
109.06539	1.6
109.10163	6.9
112.06230	0.8
113.00014	1.3
117.07022	2.5
119.08592	5.0
121.10128	6.6
123.11701	2.2
128.17207	0.8
131.08545	3.1
133.10132	3.3
135.11673	3.1
144.71410	0.9
145.10100	1.8
147.11685	2.0
149.13232	1.3
159.11705	1.7
163.14943	0.9
169.58174	0.7
179.14308	0.8
216.06560	0.7
247.20624	1.0
272.68762	0.7
290.24789	2.8
321.24234	100.0
322.24689	6.8
351.25415	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.2
52.74438	0.2
53.03942	0.9
55.01861	0.3
60.04519	0.2
61.02914	0.2
67.05498	0.3
68.07843	0.2
68.99780	0.2
69.03408	0.7
69.99281	0.8
70.03755	0.2
70.06586	0.8
71.04986	0.2
72.08144	0.4
73.04370	0.2
77.03919	0.3
79.05489	1.0
81.03410	1.1
82.03719	0.2
84.04508	0.7
84.08141	0.5
85.02897	1.3
86.03244	0.3
86.09711	1.3
87.00835	0.2
91.05482	0.6
95.04961	1.5
97.02870	0.6
98.21414	0.3
99.04450	0.6
100.04802	0.3
105.04530	0.3
107.04949	100.0
108.05267	1.5
109.02867	0.8
110.03185	0.3
120.08127	0.4
122.02752	0.3
127.03919	1.4
128.04271	0.6
128.28055	0.2
130.05048	0.2
136.07581	0.2
151.10553	0.3
165.24434	0.2
245.04704	0.3
246.19051	0.2
251.07034	0.2
252.07202	0.2
270.72330	0.2
287.05402	0.4
296.78998	0.2
403.13776	0.4
462.21094	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.7
56.05023	4.3
60.04528	42.5
67.05503	3.4
69.03424	7.6
70.06590	36.4
71.33286	4.4
72.08162	15.4
74.06083	4.4
79.05479	7.2
81.03400	3.5
84.04504	12.8
84.08148	20.0
85.02901	16.1
86.06046	6.3
86.09705	20.1
87.05585	3.3
89.05964	2.5
91.05494	4.0
93.07067	3.0
94.06556	3.6
95.04972	9.0
97.02938	3.5
97.06508	2.8
99.74775	2.2
101.07117	3.4
102.05527	4.1
103.05463	3.8
105.07017	7.4
106.07361	4.7
107.04953	100.0
108.05288	5.3
109.02892	4.2
110.07175	8.2
120.08098	21.8
121.06519	6.8
123.04435	50.7
125.06010	26.0
129.10272	11.9
131.04910	6.5
133.05153	4.5
133.06480	20.9
134.06808	9.7
136.07529	5.6
137.06004	2.6
138.09140	5.7
145.04897	2.6
148.07573	56.8
149.05994	7.0
158.11887	2.5
166.08635	55.0
300.14453	15.8
458.01123	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	462.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
55.01868	2.0
57.03410	1.7
57.42969	1.5
60.04521	26.1
61.02920	2.5
67.05499	4.4
69.03417	5.6
69.73643	3.2
69.74050	7.5
70.06575	3.0
71.04990	2.9
77.03934	1.7
78.06151	1.5
79.05493	8.9
81.03390	2.9
81.76688	1.5
85.02914	13.5
91.03944	1.6
91.05456	1.6
93.07034	3.3
93.17534	1.4
94.06546	3.2
95.04950	13.3
97.02876	5.1
97.06505	2.0
99.04423	1.8
103.05472	3.5
105.07011	2.0
107.04948	100.0
108.05296	2.5
108.08114	2.1
109.02866	4.7
115.68063	1.5
120.08101	24.8
121.05688	1.8
121.06474	9.5
122.06021	4.6
123.04422	75.7
124.04791	2.1
124.07567	2.6
125.05980	36.9
127.03851	2.6
127.55432	1.5
127.62847	1.4
131.04919	5.9
133.05258	3.5
133.06488	3.1
134.06824	1.6
136.07520	3.2
137.05913	1.9
138.09093	8.1
145.04974	2.4
148.07565	71.1
149.05971	6.8
151.33385	1.5
166.08635	78.6
167.09067	2.0
200.74854	1.5
206.10039	2.0
211.13612	1.5
282.13281	5.4
300.14386	22.4
308.32819	1.8
310.12894	1.6
361.05240	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
53.62492	0.3
55.01862	1.0
57.03423	1.0
57.52958	0.3
59.04968	0.3
60.04523	0.3
61.02936	2.0
61.68740	0.3
64.11105	0.3
69.03426	5.1
70.06587	1.4
71.04988	0.7
71.57236	0.5
72.08139	0.3
73.02920	0.8
79.05483	0.6
81.03420	2.2
84.04494	0.9
84.08141	1.5
85.02906	20.0
86.06100	0.4
86.09711	1.3
87.04463	0.4
88.04021	0.5
91.03960	1.1
91.05807	0.4
95.04982	0.8
97.02892	6.0
99.04445	1.1
107.04958	100.0
108.05288	1.3
109.02879	1.8
110.07157	0.4
113.81708	0.3
123.10546	0.3
127.03929	3.9
129.10255	0.9
131.04939	0.6
136.06108	0.4
136.71562	0.3
145.04962	4.1
145.06079	0.5
145.06493	0.3
149.05896	0.4
163.06017	0.5
164.06879	0.4
173.05943	1.1
177.03993	0.3
177.05440	0.4
180.08702	1.2
185.06044	0.6
188.92508	0.4
217.01555	0.6
219.02162	0.3
230.93639	0.5
231.11021	0.3
233.08090	0.5
242.34329	0.3
254.97186	0.5
283.08093	4.6
300.10733	2.7
462.15964	1.8
476.86743	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.01857	0.8
57.03441	1.5
60.04520	1.5
61.02914	1.3
63.75594	0.3
69.03423	3.6
70.06588	1.9
70.51396	0.6
70.51782	0.7
71.04990	0.5
72.08149	1.0
73.02914	0.5
76.08901	0.3
79.05484	1.0
81.03418	1.5
84.04496	0.7
84.08135	1.0
85.02898	16.7
86.09709	0.9
87.04467	0.8
89.06034	1.9
91.03931	0.5
95.01331	3.8
95.04949	0.8
97.02884	4.5
98.97565	0.4
99.04452	0.9
103.03956	0.5
105.07030	0.7
107.04948	100.0
108.05282	1.7
109.02840	1.5
110.07130	0.5
113.64693	0.3
117.03408	0.5
120.08080	0.5
121.06492	0.6
123.04453	0.8
125.05962	0.6
126.74210	0.3
127.03894	3.6
129.01840	0.4
129.10248	0.6
131.04948	1.1
133.06488	1.9
133.08640	0.8
134.06847	0.6
141.01842	2.3
145.02826	1.8
145.04950	4.1
145.06073	0.5
147.04405	0.6
148.07547	0.7
149.06015	1.7
161.05991	0.4
163.03860	0.3
166.08710	0.9
173.06013	1.4
177.03938	5.2
177.05487	5.9
185.05946	0.5
186.15471	0.3
195.01096	0.3
219.99686	0.3
237.07503	0.5
243.04959	0.4
270.92850	0.3
283.08066	2.9
283.17563	1.6
300.10712	0.4
300.14194	0.5
315.28494	0.3
321.08304	0.5
392.77509	0.3
462.15970	2.5
462.22162	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	14.6
56.96555	3.7
57.03447	5.6
57.07073	100.0
59.22180	4.1
61.02927	6.0
67.05499	14.0
69.07059	60.6
70.04051	7.1
75.00027	5.3
77.01591	10.1
79.05494	25.5
81.07062	9.1
83.08610	5.3
85.06557	4.0
91.03162	5.0
95.04957	3.9
95.08592	4.8
96.02122	4.3
97.06539	5.2
98.21555	7.3
101.36062	3.6
103.03136	16.6
105.02844	6.4
115.07507	4.3
117.04627	4.4
119.02616	13.2
121.02277	8.3
125.01550	10.7
127.01273	8.4
128.06224	5.3
129.01083	4.4
129.06979	9.1
141.01031	18.6
141.06976	4.7
142.07729	6.1
143.00723	6.0
143.08536	14.4
145.06467	7.5
145.10107	4.5
154.98927	20.9
155.02582	3.8
156.98657	5.5
157.06459	7.3
158.07286	5.6
159.08054	14.1
160.08800	21.1
165.01051	8.0
165.04645	5.8
166.98940	11.1
167.02551	7.1
171.08081	9.6
172.08820	47.7
174.97130	16.8
176.96858	31.0
179.02565	13.8
181.00513	11.6
181.02150	4.1
183.00253	5.1
184.36929	4.8
184.78427	4.0
192.03392	5.4
193.04163	15.0
194.93469	8.8
195.04013	9.6
195.05693	52.0
197.05415	21.5
197.07253	12.9
202.94705	6.0
202.96600	9.2
204.96336	17.1
206.91159	3.9
207.05711	30.9
209.05486	12.1
223.05244	24.0
225.04878	7.6
235.05125	9.4
237.04810	5.8
250.92441	7.0
259.02933	46.4
261.02591	96.5
261.05264	8.6
263.12012	7.0
268.29987	4.9
309.00345	10.3
462.09262	19.0
462.41690	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	461.3624
Annotation	Phlomistetraol B
Peak:m/z	Relative Intensity
53.03950	2.5
53.37160	2.3
55.01864	2.8
55.05508	24.1
57.03425	4.3
57.07060	8.9
59.48307	1.7
63.86974	1.9
65.03938	2.6
67.05502	48.4
67.36865	1.9
69.03413	4.4
69.07066	39.0
70.06590	5.4
70.52342	6.8
71.08623	5.0
72.40180	2.1
79.05141	2.2
79.05497	24.3
81.03421	2.6
81.07053	100.0
83.08630	20.4
85.06519	2.8
85.10171	2.6
85.83837	2.2
86.09679	3.2
91.05466	19.0
91.83309	2.0
93.07039	21.7
95.04965	5.1
95.08601	51.9
97.06522	4.5
97.10149	13.9
105.07015	20.1
107.04929	6.0
107.08577	20.4
109.06519	4.9
109.10155	41.6
111.08073	3.1
111.11765	4.4
112.05263	2.0
112.99982	5.6
113.05991	2.3
115.05342	2.4
117.07011	9.8
119.08561	12.6
121.06482	5.2
121.10150	11.1
123.08087	9.7
123.11710	36.9
125.09634	3.0
129.06992	2.9
131.08577	16.5
133.06494	3.3
133.10126	10.8
135.08057	3.1
135.11723	5.2
137.09642	2.8
137.13272	10.2
141.06975	6.1
143.08548	8.4
145.06529	3.0
145.10114	25.2
147.11696	2.8
149.09628	3.1
149.13271	4.6
151.14848	5.2
153.72551	1.9
155.08553	6.1
157.10159	13.0
159.08018	6.2
159.11678	38.7
161.13251	3.0
167.08456	2.0
167.14290	3.7
168.09319	2.7
169.10144	5.4
171.11687	6.2
173.09546	2.0
173.13255	5.8
175.11220	3.9
175.14772	3.5
183.11728	17.3
185.13261	4.9
187.14804	45.7
188.15234	2.0
193.15790	3.4
194.86714	2.1
197.13287	3.3
199.14801	3.4
201.10825	4.3
201.12735	88.2
201.16365	4.2
202.13150	2.6
205.15909	7.4
211.16927	5.5
213.16331	4.2
215.17957	8.7
219.13730	9.4
219.17313	3.3
233.18962	7.3
237.14824	53.7
252.57832	2.0
269.19122	2.5
275.19968	8.0
295.20483	3.2
297.22128	2.2
341.24658	2.2
349.23801	3.3
363.21655	2.2
369.24231	2.5
407.33279	11.2
425.34412	20.8
443.35770	14.2
461.25305	3.0
461.36310	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	461.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	50.0
57.07064	24.5
69.07068	29.4
71.59227	15.4
79.05517	21.1
83.08620	100.0
95.08632	27.1
98.82706	18.0
104.60078	15.9
109.10134	18.1
131.12990	15.5
187.30672	18.7
197.23540	16.1
245.18831	21.3
286.31232	16.1
340.20923	17.3
381.85690	22.4
409.34732	68.6
417.71936	20.0
461.30167	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	461.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31791	14.0
57.64903	17.6
69.07056	15.3
69.52454	36.3
69.52861	100.0
81.07035	24.3
83.08627	18.5
93.06992	15.8
95.08603	24.4
105.07037	17.6
120.45388	16.2
187.32019	15.3
226.22633	17.1
271.43277	16.9
379.84671	15.9
415.33017	17.2
461.30978	19.0
461.36606	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	461.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55288	1.4
53.03940	6.6
55.01867	9.7
55.05258	2.0
55.05508	29.6
56.05017	1.4
56.96563	2.9
57.03435	11.3
57.07067	3.3
59.04984	2.5
61.02911	4.3
65.03917	3.7
67.05502	58.2
68.64560	1.5
69.03422	8.3
69.07071	20.5
69.58875	7.4
69.59302	4.7
70.06586	6.5
71.04984	6.0
72.08157	2.7
74.99508	1.5
79.05488	56.7
81.03407	21.1
81.07054	63.8
82.07410	1.6
83.04977	9.5
83.08617	21.5
84.04506	2.4
84.08136	3.3
85.02905	5.1
85.06528	3.9
86.09700	2.1
91.03970	1.8
91.05478	52.5
93.07036	44.2
95.04961	33.7
95.08605	37.0
97.02882	2.8
97.06530	8.4
97.10167	20.5
99.04464	2.9
99.08075	1.8
100.11227	1.7
103.03929	1.7
103.05466	3.6
105.07029	35.1
107.04948	36.2
107.08590	27.0
109.02853	2.7
109.06523	6.5
109.10153	14.5
110.09731	1.5
111.08086	6.9
113.00044	2.3
114.34388	1.5
115.05469	4.1
116.06219	1.8
117.07026	23.1
119.04904	2.2
119.08571	22.7
121.02878	1.8
121.06507	19.2
121.10122	18.8
123.08089	6.4
123.11708	5.0
125.09637	12.1
127.03935	2.1
128.06200	3.4
129.07022	17.9
131.04968	4.5
131.08562	25.2
133.06488	12.2
133.10130	15.9
135.04440	1.6
135.07104	1.5
135.08008	7.2
135.11678	11.3
137.05968	2.2
137.09650	3.0
137.13303	1.8
141.06978	8.0
142.07745	2.2
143.08545	15.7
145.06474	20.7
145.10101	14.1
147.08038	10.9
147.11681	8.0
149.09644	6.1
149.13260	6.9
153.09077	3.3
154.07753	2.6
155.08548	10.4
157.06493	3.0
157.10127	13.0
159.08087	10.3
159.11702	9.6
161.06027	1.9
161.09586	3.8
161.13275	1.6
163.11147	7.2
167.08582	3.8
168.09438	2.1
169.10158	8.6
171.08055	4.7
171.11697	6.1
173.09613	4.3
173.13298	3.7
175.11214	4.8
177.12761	6.8
181.10051	3.6
183.11722	5.5
185.09587	2.5
185.13316	4.5
187.11221	3.6
187.14828	2.2
189.09265	3.7
189.11244	10.5
189.12779	3.1
193.12238	6.7
195.11790	2.9
195.13687	1.5
197.09627	1.9
197.13298	4.5
199.11221	2.2
199.14894	7.4
201.12746	3.4
203.14336	2.6
205.12407	2.5
209.13309	2.6
213.12727	3.3
217.15840	16.5
217.19472	3.9
219.95839	1.7
225.12717	2.5
227.12787	4.7
231.13882	3.5
235.20576	3.0
239.14325	4.3
243.13812	2.8
251.16409	2.2
253.15627	1.9
257.15448	5.4
267.15894	2.9
271.16898	2.2
273.14932	2.1
275.16324	2.5
275.20166	2.4
283.06357	3.0
285.10147	2.3
287.16495	2.4
305.17584	2.7
313.18094	1.6
323.23404	2.2
333.21750	2.6
341.24896	4.7
349.23874	3.5
351.22876	18.2
355.26062	2.3
359.25854	1.8
369.24228	45.4
387.25198	17.3
405.26431	5.1
407.25580	2.7
417.25558	3.8
425.27518	5.3
443.21921	2.3
443.27963	38.3
461.29041	100.0
462.28964	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78589	1.5
53.03935	4.4
55.01862	9.4
55.05502	38.3
57.03428	14.4
65.03925	5.2
67.05497	85.8
69.03419	4.0
69.07056	28.0
71.04977	7.0
71.42290	1.8
73.02916	1.9
79.05484	68.3
81.03399	10.7
81.07050	74.7
83.04969	9.5
83.08611	22.3
85.02892	2.5
85.06541	6.6
91.05469	92.9
93.07033	63.6
95.04958	22.3
95.08593	43.4
95.09162	3.6
97.02919	2.0
97.06541	8.4
97.10149	10.7
99.00041	1.5
103.05450	4.7
105.07018	71.8
107.04943	23.1
107.08580	36.5
109.06501	13.4
109.10133	17.8
111.08073	6.9
113.06006	1.7
115.05431	8.5
116.06242	3.4
117.07008	53.6
119.04927	3.8
119.08567	45.7
121.06483	21.4
121.10114	17.6
123.04448	2.8
123.08060	6.2
123.11687	3.0
125.09618	9.2
128.06200	15.7
129.06993	55.6
131.04895	3.8
131.08553	73.4
133.06480	15.2
133.10101	25.4
135.08047	10.8
135.11658	9.6
137.09616	7.1
141.06964	22.8
142.07751	5.2
143.08539	54.7
145.06459	20.8
145.10104	31.7
147.08025	16.5
147.11700	6.7
149.09569	9.6
149.13237	3.7
151.11174	3.4
153.06979	4.9
153.09117	2.7
154.07741	4.6
155.08536	31.7
156.09312	2.7
157.06517	5.1
157.10104	29.8
158.97609	5.8
159.08051	11.3
159.11670	15.0
160.97327	7.8
161.09540	8.8
161.13255	3.8
163.11209	5.5
165.06963	4.1
165.09093	2.1
166.07671	3.0
167.08566	12.0
168.09293	3.8
169.10092	24.4
171.08034	7.5
171.11647	17.1
173.09653	7.0
173.13257	7.0
175.11162	4.6
177.12668	2.8
178.07745	2.6
179.08475	4.9
180.09377	2.9
181.10100	13.0
183.08105	2.0
183.11659	15.3
185.09642	4.7
185.13208	14.0
187.11188	4.9
187.14748	4.2
189.11180	3.9
189.12682	3.1
193.10164	5.7
193.12250	4.9
195.11696	11.1
197.13208	10.9
199.11171	6.0
199.14781	6.0
201.12711	5.7
203.14420	3.4
205.10179	3.3
205.12210	2.6
207.11665	5.8
209.13255	9.6
211.11124	4.3
211.14813	7.0
213.12711	13.5
213.16391	2.3
215.14313	7.2
217.12357	2.1
217.15889	7.0
221.13257	6.5
221.15199	2.7
223.14740	8.5
225.12746	5.9
225.16377	5.9
227.12431	2.2
227.14316	4.6
229.12057	2.5
229.15849	2.1
231.13802	3.0
231.17390	2.2
231.40521	1.8
233.13243	3.6
233.15324	3.2
235.14815	6.0
237.16483	2.9
239.14323	6.5
241.15855	5.0
243.13765	3.1
245.15379	5.2
247.14799	2.2
253.15935	5.1
255.17299	3.2
257.15408	7.9
259.16992	3.8
267.17480	3.3
271.16895	9.8
273.14771	1.8
273.18625	2.9
275.16486	2.2
303.19370	1.8
305.11392	1.9
305.22580	2.8
315.20996	1.9
323.23645	13.6
333.22073	12.7
341.24667	22.3
351.23132	53.4
359.25970	2.5
369.24188	100.0
370.24496	2.7
387.25214	54.8
398.98428	2.0
407.25903	3.4
415.28140	3.0
417.26660	2.1
419.16052	2.5
425.26834	5.9
433.29828	2.0
443.27838	87.5
444.27930	3.3
461.21378	4.9
461.28922	90.3
461.92630	2.0
462.29007	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89020	2.2
53.03923	7.8
54.37181	2.4
55.01862	6.4
55.05507	34.9
57.03422	10.7
57.07055	8.1
64.51343	2.3
65.03912	3.6
67.05499	96.9
69.03425	6.6
69.07062	42.5
69.62421	13.3
69.62830	4.9
70.04076	5.2
71.04967	4.9
79.05486	100.0
81.03410	35.6
81.07050	76.2
83.04958	18.2
83.08613	19.1
85.06532	5.3
89.06046	5.5
91.05475	74.8
93.07030	81.9
93.89919	2.3
95.04973	40.2
95.08600	40.8
97.06511	8.8
97.10163	10.5
98.21430	4.8
99.08090	4.4
103.05463	4.4
105.04505	5.6
105.07023	58.0
107.04933	16.6
107.08574	47.5
109.06522	13.2
109.10149	16.7
110.04663	2.9
111.08075	4.8
115.05472	6.3
117.06992	20.9
119.04967	2.9
119.08579	31.3
121.06492	21.3
121.10126	14.4
123.08042	7.4
125.09613	8.6
128.06219	4.5
129.06984	23.9
131.04926	4.7
131.08569	16.6
133.06494	6.3
133.08600	3.3
133.10098	19.1
135.08029	7.6
135.11678	34.9
141.07057	2.7
142.07726	2.8
143.08554	14.9
145.06471	8.9
145.10132	16.7
147.07999	5.9
147.11665	22.2
149.09595	3.7
149.13239	10.1
151.11118	2.4
155.08543	6.7
157.06462	2.4
157.10098	6.7
159.08087	2.8
159.11574	5.8
161.09610	5.5
161.13283	9.9
161.59956	2.2
163.11154	3.3
171.11696	17.7
175.11198	3.8
181.10219	2.7
181.12180	4.3
189.11194	5.0
189.12761	10.8
193.12297	8.2
197.07280	4.6
197.13193	3.5
199.14774	2.8
207.13789	20.3
217.15836	7.1
225.14783	3.6
227.88885	3.0
228.75256	2.8
233.08473	2.4
324.68982	2.8
351.23083	8.3
369.24258	21.8
387.11502	3.8
387.25034	6.3
392.14630	5.2
405.12531	7.4
417.26620	3.5
420.71069	3.0
439.16135	3.2
443.27859	20.8
443.35583	3.1
457.16711	3.5
461.28867	93.6
461.37158	20.3
462.29276	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	461.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86119	3.3
53.03925	6.2
55.01863	9.0
55.05510	35.5
57.03423	13.6
57.07062	8.0
65.03954	3.7
66.46824	3.3
67.05178	3.6
67.05503	69.3
69.03442	17.0
69.07066	25.6
70.00498	16.4
71.04969	6.1
73.93481	3.5
79.05495	48.5
79.49332	3.2
81.03419	30.0
81.07055	73.9
82.30993	3.3
83.04972	8.3
83.08616	13.2
85.06521	5.0
91.05480	42.5
93.06563	4.2
93.07048	51.7
95.01308	12.6
95.04980	19.4
95.08601	46.7
97.02905	17.0
97.06535	8.1
97.10172	7.2
98.79567	3.2
103.05428	4.0
105.07022	44.9
107.04935	9.4
107.08589	25.7
109.02853	8.5
109.06523	8.4
109.10145	25.0
111.04398	4.2
115.05431	5.1
117.07042	28.9
119.08574	30.4
121.06510	7.5
121.10112	18.3
122.41280	3.2
123.04393	6.7
123.08044	6.6
123.11723	5.7
127.03874	3.9
128.06186	9.0
129.07013	28.7
130.07800	3.5
131.04910	7.5
131.08577	32.4
133.06487	10.6
133.10077	21.4
135.04276	3.4
135.08020	7.6
135.11676	14.8
141.07018	11.9
142.07764	8.2
143.08562	31.8
145.06479	16.7
145.10080	19.5
147.08029	8.1
147.11667	15.3
149.09613	8.2
149.13245	5.6
155.08546	15.1
156.09352	4.5
157.06473	5.4
157.10123	13.2
159.08072	12.5
159.11714	20.0
161.05957	9.7
161.09639	6.4
161.13243	6.9
163.11171	5.8
167.08627	6.6
169.10121	12.8
171.08031	11.5
171.11671	13.4
173.09570	8.3
173.13292	10.9
175.07507	9.7
175.11154	5.3
175.14812	5.0
179.08507	4.6
181.10114	7.8
183.06396	3.9
183.08011	9.3
183.11707	7.7
185.09599	10.3
185.13287	15.0
187.11171	6.8
189.09119	5.7
195.11649	5.5
197.09647	7.1
197.13188	10.2
199.11186	8.3
199.14828	4.4
201.12749	5.3
207.11624	5.0
209.13220	4.8
211.11159	5.6
211.14766	5.4
211.82678	3.3
213.12740	9.8
225.12750	4.5
227.14401	6.6
239.17715	3.6
243.13783	4.1
253.12354	3.9
259.20575	5.6
287.16547	4.5
297.22137	3.5
309.22113	3.8
318.09567	3.7
323.23532	8.5
327.23242	9.0
335.25781	13.4
341.24677	10.5
345.24216	5.3
351.23114	18.8
359.25903	3.6
369.24228	58.3
387.25171	12.1
423.66837	3.8
425.26517	4.2
431.27750	4.8
443.27936	50.6
444.28177	4.0
461.28937	100.0
462.29428	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	461.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.7
52.37486	2.9
53.03929	5.1
55.01862	8.3
55.05508	42.6
57.03420	10.3
57.03704	2.1
57.07067	6.1
60.83960	2.2
65.03947	4.9
66.47979	2.6
67.05499	93.9
69.07060	30.0
71.04977	9.2
71.44554	3.6
79.05486	77.5
81.03421	7.2
81.06570	4.6
81.07050	78.4
83.04975	9.0
83.08611	25.0
85.06532	4.5
91.05474	100.0
93.07038	65.4
95.04964	25.1
95.08605	41.2
97.06527	9.7
97.10143	11.6
99.08089	3.6
103.05463	8.2
105.04522	2.6
105.07023	69.9
107.04928	16.4
107.08582	26.4
109.06497	12.7
109.10145	19.9
111.08074	11.3
115.05458	11.4
116.06240	3.1
117.07015	58.9
119.04967	3.4
119.08582	38.1
121.06510	12.6
121.10115	18.5
123.08043	6.9
125.09611	12.3
128.06165	12.0
129.06987	64.2
131.04919	3.8
131.08559	82.7
133.06502	11.1
133.10126	25.9
135.08051	12.6
135.11696	9.6
137.09596	6.1
141.06990	24.4
142.07808	7.3
143.08548	52.8
145.06503	16.5
145.10115	30.2
147.08049	9.2
147.11684	9.6
149.09619	11.3
149.13211	4.6
151.11188	3.0
153.06990	6.7
154.07750	4.6
155.08545	39.3
156.09319	3.2
157.06461	5.1
157.10120	38.0
159.08070	9.6
159.11699	19.2
161.09618	5.2
161.13228	3.4
163.11160	8.9
165.06985	6.0
165.12793	2.6
166.07748	4.6
167.08568	17.0
168.09343	3.9
169.10126	24.9
171.08099	3.2
171.11667	20.5
173.09624	4.9
173.11862	4.4
173.13219	6.0
175.11201	7.6
175.14900	2.8
177.12721	7.0
178.07959	3.3
179.08502	8.3
181.10120	16.9
183.11604	16.7
185.09651	3.7
185.13254	18.1
187.11147	6.1
187.14801	4.4
189.12694	2.9
193.10104	7.0
195.11717	19.8
197.13231	15.7
199.11148	5.8
199.14819	8.3
201.12817	5.4
203.14386	3.4
205.11983	3.0
206.10950	2.7
207.11729	6.7
209.13237	11.0
211.11246	6.0
211.14864	8.3
213.12749	7.1
213.16441	4.5
215.14380	17.2
217.15836	5.1
221.13275	10.8
223.14900	13.5
225.12732	4.3
225.16422	5.0
233.13300	3.2
235.14784	6.2
237.16429	4.4
238.03674	3.1
239.14307	11.1
241.04630	2.7
241.16042	4.4
243.13777	4.4
245.15375	3.5
247.17111	3.9
249.16479	3.7
251.14247	3.6
253.15842	7.5
257.15366	8.3
271.16867	8.5
285.18546	5.5
305.22665	2.6
323.23657	12.8
333.22144	24.3
339.23468	2.7
341.24817	14.6
351.23163	61.2
359.25763	3.6
363.09219	2.7
369.24210	57.5
387.25217	20.9
415.28452	4.0
425.26703	6.6
433.29572	5.1
443.27972	79.4
461.28970	71.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41298	6.3
55.01855	9.4
55.05502	31.0
57.03439	55.8
57.07077	8.0
58.69448	8.3
62.20995	7.5
65.03921	9.4
67.05505	58.0
69.07083	38.5
69.46161	66.6
70.04087	19.6
70.06577	18.5
76.92888	8.1
79.05495	61.8
81.03404	8.8
81.07056	64.3
82.18245	7.3
83.08604	21.2
85.02925	7.5
85.06577	11.5
86.09697	11.1
91.05477	74.8
93.07054	80.1
95.04971	23.0
95.08617	52.4
97.06545	13.2
97.10172	15.0
98.20717	8.7
98.98453	9.1
99.08097	8.9
103.05446	8.5
105.07040	77.7
107.04964	50.1
107.08582	44.8
108.00475	6.9
109.06551	15.3
109.10150	22.1
111.08096	8.4
113.00024	79.1
117.07010	30.4
119.08595	45.3
121.02811	7.8
121.06517	13.6
121.10160	32.2
123.11678	8.6
125.09531	7.6
129.07001	9.2
130.06413	7.5
131.08562	53.3
133.06509	12.1
133.10081	37.3
135.08025	8.9
135.11664	9.8
137.05833	8.3
143.08566	13.5
145.10120	33.8
147.11653	17.9
149.09595	9.4
155.08525	8.7
157.10136	9.3
159.11668	32.8
161.13293	11.2
163.11259	9.6
165.09125	31.8
169.02640	26.4
170.63782	7.7
171.11691	8.7
173.09605	9.1
173.13274	15.7
185.13251	21.5
197.13307	12.0
203.14331	15.3
219.17468	86.0
233.97447	8.2
239.17896	12.7
257.19095	21.6
275.20105	89.2
289.18008	9.6
349.23706	100.0
443.31458	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	461.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.4
54.27179	1.9
54.78435	2.2
55.01865	19.0
55.05507	33.1
57.03448	12.0
59.04992	1.7
59.96539	1.8
65.03939	4.1
67.05501	59.6
69.03421	2.8
69.07064	26.9
69.48391	7.3
69.48814	9.4
70.06580	2.4
71.04990	4.0
79.05490	63.9
79.33169	1.7
81.03410	14.2
81.07056	47.9
83.04961	7.9
83.08620	17.5
85.06550	3.8
86.79080	1.8
91.05478	45.4
93.07046	43.6
95.04949	19.0
95.08595	26.6
97.06535	22.0
97.10156	12.8
105.07028	43.7
107.04958	29.1
107.08586	38.8
109.06533	6.5
109.10152	14.7
111.08086	4.4
113.00008	50.3
115.05434	3.7
116.64493	2.0
117.07015	19.2
119.04921	2.4
119.08577	26.8
121.06512	7.5
121.10143	16.1
123.04448	2.1
123.08060	2.5
123.11665	2.2
125.09631	9.4
129.06955	9.8
130.07645	1.9
131.08562	22.9
133.06496	4.1
133.10117	21.1
135.08037	7.0
135.11694	9.0
137.09633	5.0
141.06999	3.4
143.08554	7.4
145.06493	6.3
145.10114	19.7
147.08060	4.0
147.11684	16.3
149.09621	21.9
149.13269	4.3
151.11168	3.6
153.09108	2.9
155.08554	5.7
157.10133	8.2
159.07936	2.5
159.11697	13.3
161.13248	4.5
163.11136	10.0
169.02577	12.4
169.10085	5.1
171.11700	4.8
173.13235	6.2
175.11188	2.5
177.12756	6.0
183.11688	4.9
187.03703	3.8
187.11148	6.2
189.11237	6.7
189.12772	3.5
191.14418	3.4
197.13177	3.4
205.12236	2.5
207.82730	2.3
217.15871	4.5
227.12831	6.2
239.17986	3.6
247.20622	3.2
257.19000	7.5
275.20059	81.6
293.21014	5.2
330.40408	2.1
333.21909	3.0
349.23718	100.0
351.23187	5.9
369.24136	15.4
387.25244	8.3
443.27744	13.0
461.28922	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
54.31768	0.7
55.01864	1.0
55.05513	5.9
57.03420	2.3
57.04526	0.7
57.06822	1.2
57.07074	17.2
58.02851	0.7
60.45915	0.7
65.03936	1.2
67.05495	11.8
69.03410	1.1
69.07061	55.7
70.03687	1.1
70.04069	20.5
70.07828	2.2
71.59577	1.0
78.05166	0.6
79.05486	8.9
81.03416	5.7
81.07050	11.5
83.04957	1.7
83.08615	3.8
89.06028	0.8
91.05476	12.0
93.07037	8.2
95.04947	6.1
95.08589	5.1
97.03989	1.5
97.06510	2.4
97.10162	1.9
99.00028	1.3
103.03156	1.0
105.07018	7.3
107.04958	3.0
107.08591	5.0
108.08099	1.0
109.06526	2.2
109.10139	2.1
110.03496	0.7
110.07251	0.8
111.04399	1.1
111.08024	1.4
113.01599	1.0
115.07563	5.0
117.07011	3.2
119.08562	5.9
121.06494	2.7
121.10141	3.3
124.05067	2.1
125.05844	4.5
125.09605	1.7
126.99469	2.8
129.01027	8.6
129.06985	4.3
131.08551	6.3
133.06454	1.5
133.10112	2.7
135.08025	1.4
135.11728	1.1
138.10214	1.2
141.00995	12.1
141.07028	0.9
143.08522	3.5
145.06497	3.1
145.10139	2.5
147.08072	2.2
149.09607	1.5
149.13239	1.9
150.10269	4.8
151.07587	0.7
151.10983	0.9
152.04518	3.6
155.02570	5.4
155.08466	1.7
157.06355	0.9
157.10104	1.6
159.11705	2.8
161.09659	0.9
162.10269	1.6
163.11156	0.9
165.06970	1.0
165.09073	4.9
166.07263	1.0
168.11336	10.1
169.10126	2.6
171.11655	1.1
175.11197	2.0
177.12708	1.0
178.09683	3.8
183.11690	1.1
185.09564	0.7
185.13277	1.1
190.09694	4.1
193.08331	7.4
193.12221	2.5
195.12372	1.4
197.07275	22.3
197.13318	1.0
208.10898	1.5
209.13422	0.8
217.15862	1.1
220.02753	1.7
223.14766	0.8
225.06686	0.9
231.13531	6.0
237.14589	0.8
238.03799	2.4
249.14528	6.1
250.15587	0.9
252.17148	1.6
259.13010	2.9
261.01782	0.8
264.13345	1.8
277.14047	11.2
282.14337	14.8
282.17258	0.6
292.02753	1.5
294.10043	1.1
316.20071	1.5
318.09894	1.8
334.21060	4.5
336.11230	5.2
340.14023	1.0
341.24747	1.0
351.23376	2.5
362.16388	2.9
369.24161	6.6
387.25299	3.0
391.14603	5.0
392.15372	6.0
392.17325	7.8
409.15881	1.3
410.16061	3.1
415.16418	5.0
417.26093	0.9
443.19531	8.7
443.27710	6.0
461.20639	100.0
461.28763	14.1
462.20996	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	461.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58546	0.7
53.03933	0.9
55.01834	0.8
55.05509	4.5
57.03423	1.3
57.07071	20.2
59.05002	0.8
60.92330	0.7
61.02919	0.8
67.05493	8.7
68.01305	0.7
69.07063	20.4
69.96088	2.9
69.96513	1.6
70.04071	7.7
71.04988	1.6
79.05489	11.9
81.03421	3.6
81.07050	9.7
83.04917	1.3
83.08593	2.1
85.02895	0.9
85.04010	2.2
87.27875	0.7
91.05472	8.2
93.07039	7.4
94.01354	0.8
95.04966	3.5
95.08598	4.4
97.10175	1.7
98.20793	1.0
99.08102	2.2
103.69255	0.8
105.07024	4.8
107.04913	3.0
107.08578	3.5
109.06493	1.5
109.10151	1.3
111.04318	1.2
115.07536	1.5
117.07004	1.9
119.08581	2.7
121.06521	1.0
121.10101	1.8
123.08086	1.0
124.05074	1.3
125.05885	1.5
126.99443	2.7
129.00999	3.8
129.06960	1.9
131.08580	3.9
133.06421	1.0
133.10065	2.1
135.08078	1.0
135.11696	1.7
141.01071	3.7
141.06985	0.8
143.08548	2.1
145.06451	1.5
145.10135	2.4
147.08003	0.9
147.11638	1.9
148.08589	1.0
149.09599	0.9
149.13257	1.4
150.10245	0.9
152.04517	1.2
155.02522	1.1
155.08504	1.1
157.06413	1.7
157.10068	2.8
161.09621	0.8
162.10251	1.3
163.11209	0.8
166.09801	0.9
168.11343	3.0
169.10155	1.1
171.08014	0.8
176.99690	1.7
177.12807	0.9
181.12091	1.7
182.14323	0.9
190.09727	1.4
193.08302	1.7
193.12138	1.1
195.00749	1.3
197.07294	6.3
205.01634	1.1
208.10832	2.9
209.11551	2.6
212.10233	3.7
217.15829	1.8
220.02716	9.5
231.13548	1.2
232.02745	3.9
233.03351	0.8
236.17570	2.9
238.03786	8.4
249.14626	1.4
250.15443	1.7
264.16974	1.1
277.14053	2.3
278.99936	0.8
282.14285	3.1
298.89008	0.9
300.09048	1.2
318.09995	64.9
319.10486	1.8
336.11060	100.0
337.11389	2.6
341.24677	1.1
351.23276	1.7
369.24136	4.4
387.25284	1.2
391.14597	1.4
392.17889	6.5
410.15939	1.2
443.19641	3.6
443.27655	3.9
448.93274	0.9
461.20529	21.5
461.28784	9.4
462.21152	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.01876	1.3
55.05510	4.6
57.07073	11.2
67.05498	11.1
69.07059	27.5
69.79992	1.5
69.80403	4.2
70.04072	7.4
70.06563	1.3
71.04977	0.9
72.08145	1.1
79.05490	9.7
81.03402	5.1
81.07042	10.5
83.04944	3.2
83.08606	3.6
85.02908	1.1
89.06030	0.9
91.05463	9.0
93.07013	7.4
95.04975	5.0
95.08601	4.7
96.08076	0.9
97.06490	8.2
97.10169	2.6
98.20698	1.2
99.08078	3.7
100.99697	1.1
101.22153	1.0
105.07031	6.0
107.04942	3.2
107.08552	5.3
109.06489	1.5
109.10151	1.8
110.03515	1.3
110.04659	1.2
111.04312	1.3
111.08076	1.0
112.05108	1.6
115.07571	2.2
117.06990	3.0
119.08568	4.2
121.06494	3.4
121.10123	1.8
121.80873	0.9
123.07985	0.9
124.05070	4.3
125.01512	1.6
125.05843	3.4
125.09605	1.8
128.99161	1.6
129.07013	2.0
131.00829	2.1
131.08536	4.0
133.06468	2.1
133.10129	1.7
135.08008	1.9
135.11713	1.2
138.10228	1.7
141.00999	2.3
141.06964	1.5
143.00737	2.5
143.08521	2.3
145.06477	2.6
145.10042	1.7
147.11679	1.3
148.08652	1.8
149.09575	1.4
149.13220	1.0
152.04523	3.8
157.02267	2.4
157.06325	3.0
157.10123	2.7
159.08012	1.2
159.11668	2.1
161.09656	1.1
162.10327	1.8
163.11108	1.3
166.09750	7.8
168.11327	10.8
168.18831	1.0
169.10109	1.4
171.11734	1.8
176.08203	1.8
179.06747	0.9
185.13464	1.0
187.11256	1.4
189.11212	1.1
192.03394	1.0
193.10683	1.2
193.12276	2.3
197.07216	1.2
199.06989	6.4
199.14737	1.2
217.15784	1.9
220.02708	9.2
222.12509	1.3
227.51064	1.2
235.12924	2.6
236.17540	4.2
238.03822	9.2
239.03961	1.1
247.13019	3.7
250.15453	7.1
264.17026	10.2
265.17828	1.5
275.12457	4.3
280.12842	2.5
318.10040	7.4
332.19458	1.6
336.11060	100.0
337.11264	3.9
351.23169	2.8
364.72049	1.0
369.24338	4.6
387.11249	2.3
387.25287	2.3
391.14594	1.1
392.17450	25.5
405.12549	4.1
443.28076	5.3
461.18921	19.8
461.29080	12.7
462.18887	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96709	1.1
55.01862	2.4
55.05515	3.2
56.96554	3.3
64.53301	0.9
67.05482	3.2
69.07063	2.3
70.06584	4.7
72.08157	2.0
79.05483	5.6
81.03401	1.0
81.07050	4.4
83.08593	3.2
84.04500	1.3
84.08124	3.3
86.09721	2.2
87.88223	0.9
91.05482	9.2
93.07057	5.5
95.04976	4.9
95.08579	2.5
100.11246	2.0
103.05479	7.8
105.07033	5.3
107.04958	100.0
107.08588	2.6
108.05302	1.3
109.10167	3.4
113.00014	2.4
115.05462	4.7
117.07018	3.9
119.04938	4.2
119.08573	2.5
120.08134	1.7
121.02872	1.5
121.06511	8.9
123.08142	1.1
127.11164	1.5
128.06226	2.3
129.07002	6.0
131.04929	14.8
131.08594	1.8
133.06482	4.2
133.10095	1.6
133.87421	1.1
135.04410	1.4
135.08044	1.5
136.24574	1.1
137.05978	3.2
141.06993	2.8
144.05696	2.4
145.06490	15.7
148.32692	1.0
149.05980	10.9
155.04915	2.3
157.06506	13.6
157.09999	1.1
159.08018	1.9
161.05971	1.6
163.07574	2.9
165.07016	2.8
169.06499	12.3
173.05933	1.3
179.08540	2.3
181.06503	1.9
183.08150	1.0
183.11824	1.2
187.07530	1.3
189.07007	2.7
190.07819	7.0
191.08577	1.5
195.08064	1.5
202.07785	3.1
203.08580	6.5
204.09410	1.7
205.10069	6.0
206.07262	1.5
207.08047	2.9
215.08588	11.7
218.07336	7.8
219.08049	3.3
220.08800	1.6
221.09647	2.8
223.07442	1.5
225.09166	5.2
229.09996	1.2
231.07951	4.9
232.08850	4.1
233.09596	11.3
234.06859	1.5
235.07643	1.4
235.11087	1.7
237.09068	7.4
241.11156	2.1
243.08167	2.5
244.08763	1.8
245.09561	2.3
247.07460	1.2
247.11163	1.8
248.08376	1.3
249.09076	4.7
250.09848	1.5
251.10674	6.0
253.11243	2.6
259.07883	1.3
259.11951	3.1
260.08347	2.2
261.09122	32.4
262.09875	1.6
263.10739	4.2
271.12167	6.9
275.10651	13.3
275.20029	2.2
287.10654	4.1
316.23575	1.7
317.11963	1.5
349.23709	2.2
381.14722	4.1
411.15439	1.1
443.15045	1.6
461.31860	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.3
55.05504	5.5
57.03413	2.5
67.05492	5.6
69.03407	5.0
69.07043	2.3
70.06578	18.2
71.04967	1.8
72.08150	4.4
73.02920	2.1
73.06541	4.5
79.05486	7.5
81.03400	10.5
81.07052	9.6
82.06560	3.7
83.08574	2.7
84.04499	5.9
84.08134	8.1
85.02901	5.4
86.09669	8.9
89.06039	9.9
91.05491	5.4
93.07043	6.5
94.06576	2.0
95.04944	4.8
95.08601	2.4
96.08129	2.1
97.02902	2.4
97.06527	3.9
98.21459	3.5
102.05486	2.0
103.05477	2.9
105.07037	5.3
107.04949	42.2
108.05280	2.2
110.06032	37.8
110.07140	3.7
117.09147	2.5
119.88875	1.8
120.08116	7.7
121.02847	3.7
121.06519	3.2
122.05994	3.3
123.06878	2.3
124.07605	8.2
126.05537	4.9
127.03864	3.1
128.07130	2.2
129.10245	5.4
130.05035	2.4
131.04932	6.0
131.08592	2.2
133.06509	3.2
133.08575	3.0
133.10071	1.9
136.07567	74.7
139.06273	17.2
152.07056	51.9
157.07416	3.9
157.10159	3.0
164.07057	100.0
170.08101	13.5
182.08118	88.2
184.07426	2.1
193.12195	6.2
202.08580	16.6
211.14717	2.1
212.10718	5.4
216.10175	3.6
225.34854	2.0
226.12239	5.9
243.11153	2.3
267.15778	4.3
271.12000	25.9
272.12784	10.2
274.10748	5.6
275.11487	19.0
299.05325	2.0
367.16373	2.6
409.17758	4.5
427.18530	13.6
434.09723	2.0
434.16696	2.0
461.18768	2.7
473.66385	2.2
486.21027	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.01869	1.3
55.05505	0.8
56.05025	2.2
60.04512	1.5
61.01152	0.5
63.25659	0.4
68.05016	0.5
69.03436	0.7
70.06593	11.8
70.28783	1.7
70.69120	0.5
71.06930	0.7
71.07358	0.4
72.08157	8.8
74.06077	1.4
77.03911	0.4
79.05495	5.3
83.06104	0.8
84.04504	3.6
84.08146	8.4
85.02908	2.9
85.08446	0.4
86.06045	0.7
86.09702	8.6
87.05593	0.7
87.10088	0.4
88.04021	0.6
88.36688	0.5
91.05474	1.3
95.04971	2.1
95.06075	0.4
97.02877	1.0
98.06052	0.5
98.20759	0.5
98.97572	0.5
101.07143	1.4
102.05535	1.3
103.05475	4.7
105.07033	36.5
106.07337	0.9
107.04954	11.8
110.07161	1.9
112.08751	0.6
115.05438	1.8
115.08697	0.6
116.07067	0.6
116.98618	1.1
120.08113	3.9
121.06470	1.0
127.03899	0.5
129.10239	5.1
130.05022	0.9
131.04942	2.1
133.06493	100.0
134.06818	1.2
136.07584	1.0
145.06488	4.5
148.06041	0.5
149.05969	1.4
150.39011	0.5
157.06508	2.4
157.20860	0.4
159.07970	0.6
173.12883	1.8
177.10246	1.0
185.05623	0.4
187.07584	0.6
187.10687	0.4
187.14485	0.6
201.12436	1.2
215.13835	0.8
237.02826	0.7
247.12906	0.5
251.10680	2.2
261.14444	1.6
263.10785	0.9
381.10687	1.0
461.07703	0.7
461.13336	2.6
461.25314	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.9
55.01861	2.1
55.05498	1.5
56.05038	13.9
56.96574	1.0
60.04534	7.2
61.01149	8.1
67.05486	1.0
68.05059	1.2
69.03452	1.1
69.07070	1.9
70.02932	2.8
70.06591	26.3
70.12978	2.2
70.13388	2.9
72.08160	13.0
73.02917	1.1
74.06075	2.4
76.02199	1.4
79.05479	5.3
81.03423	1.6
82.06556	1.1
83.06086	1.8
84.04501	11.2
84.08145	31.0
85.02905	6.7
85.08484	1.7
86.09702	20.2
87.05598	1.0
88.03998	5.9
89.85394	1.1
91.05481	3.6
93.07080	1.5
95.04953	2.5
97.02885	1.9
98.06055	6.7
98.09679	1.3
102.05531	3.9
102.55328	1.0
103.05479	5.9
104.05323	20.8
105.07034	38.3
107.04962	33.6
107.05708	1.4
108.05261	1.0
110.07177	9.7
111.07478	2.2
111.09205	1.3
112.08698	1.2
115.05424	3.0
115.08681	1.2
116.07095	1.1
117.07005	1.4
119.04899	2.0
120.08105	4.8
121.02879	2.8
121.06509	2.3
127.08599	1.4
129.06606	1.2
129.10242	25.3
130.05014	3.3
130.08694	1.3
130.10614	1.0
131.04915	2.9
131.08185	1.1
133.06494	100.0
134.06830	1.0
136.07550	1.7
141.10233	1.2
145.04941	1.0
145.05293	1.0
145.06497	9.9
146.06349	14.5
147.07924	1.8
147.11313	2.3
149.05986	2.9
156.07681	1.1
157.06395	5.2
159.07999	2.7
161.09633	1.6
174.05821	9.6
184.07321	1.6
197.12953	1.2
203.06525	1.0
206.01566	1.6
212.06662	1.1
212.95374	1.0
215.13925	2.1
216.03299	1.2
237.09082	2.0
250.08725	1.3
251.10693	3.2
254.07903	1.5
257.02420	1.2
265.12009	1.0
272.08771	1.4
275.03680	1.3
281.11746	2.7
317.19965	1.3
408.24384	1.0
443.25067	2.2
461.13580	14.1
461.26141	5.4
480.41278	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.01860	1.7
56.05020	0.7
67.76956	0.4
69.03420	2.0
69.07059	0.4
70.06591	8.5
70.64299	0.6
70.64681	1.0
72.08150	2.2
73.02887	0.8
74.06051	0.6
76.02207	0.4
78.08591	0.4
79.05492	5.6
81.03414	0.7
81.07021	0.5
83.06086	0.7
84.04517	2.0
84.08129	2.6
85.02912	6.1
86.09702	5.9
91.05476	2.0
95.04960	2.3
97.02895	1.6
102.05552	0.5
103.05477	5.2
105.07029	38.6
107.04957	13.8
109.02888	0.5
110.07180	2.5
112.08708	0.4
115.05437	2.2
116.07083	0.6
117.07005	0.8
120.08108	1.1
121.02897	0.9
121.06537	1.0
122.02750	0.8
127.03866	0.7
128.06226	0.5
129.07060	0.7
129.10242	1.6
130.05022	0.5
131.04922	2.6
132.04692	0.4
132.05682	0.5
133.06490	100.0
134.06825	0.8
136.07582	0.5
145.04916	0.5
145.05315	0.5
145.06491	5.6
149.05980	2.4
149.07423	0.7
157.06488	1.4
167.07004	0.4
173.12875	0.9
184.07401	0.6
187.07573	0.5
206.25357	0.4
234.09653	0.4
251.07382	0.7
251.10716	2.2
263.10590	0.5
355.29086	0.5
461.20078	8.5
461.26184	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.4
51.91913	0.2
53.03945	1.3
55.01875	2.3
55.05507	0.4
56.05024	0.8
57.03446	1.4
59.32387	0.3
60.04533	1.5
61.02915	1.2
61.68753	0.3
67.05500	0.6
69.03429	3.8
69.07072	0.6
70.02962	0.4
70.06589	9.1
70.53167	0.7
70.53531	0.7
71.04988	0.4
71.06931	0.6
72.08156	3.0
73.02913	0.6
74.06070	0.9
76.02225	0.4
77.03928	0.4
79.05493	6.1
81.03407	2.2
83.06091	0.3
84.04504	3.1
84.08140	3.6
85.02903	11.9
86.09704	15.1
87.04472	0.8
87.05589	0.9
88.03992	0.7
91.03937	0.3
91.05474	1.8
93.07048	1.0
94.04224	0.3
95.04967	1.8
97.02895	4.2
99.04499	0.6
101.07099	0.5
102.05523	0.6
103.05461	5.7
104.10703	0.4
105.04506	0.6
105.07029	38.9
106.07398	0.4
107.04953	23.1
108.05326	0.4
109.02882	1.5
110.07163	2.1
112.08664	0.4
115.05467	3.0
115.08714	0.4
116.07075	0.5
117.07037	1.2
119.04985	0.5
120.08094	1.6
121.02877	1.3
121.06510	2.8
127.03936	2.3
129.06993	1.1
129.10254	2.0
130.05019	0.8
131.04924	3.7
132.05731	0.4
133.06487	100.0
134.06857	1.1
135.04381	0.4
136.07582	0.5
138.81949	0.3
145.05016	0.8
145.06483	9.3
147.04378	0.3
148.06024	0.9
149.05981	5.6
151.03854	0.5
157.06470	3.4
159.08029	0.4
167.07033	0.5
169.06523	0.4
173.12874	4.3
175.07613	0.5
184.07385	0.7
187.07431	0.5
201.12344	3.0
205.10147	0.3
207.08028	0.5
223.11165	0.5
251.10670	4.0
261.14423	2.5
263.10590	1.0
281.11554	0.4
461.19742	0.8
461.26318	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01862	1.1
61.02902	0.4
69.03422	1.0
69.43884	2.9
70.06584	2.7
71.10785	0.3
72.08141	1.0
72.93791	0.4
79.05489	4.8
81.03395	0.7
84.04507	0.8
84.08125	1.1
85.02898	2.4
86.09696	3.0
90.94824	0.3
91.05464	1.4
93.06966	0.5
93.72947	0.3
95.04969	1.2
103.05448	4.0
105.07018	36.1
107.04943	10.2
109.02888	0.4
110.07143	0.5
115.05445	2.0
117.06973	0.5
120.08101	0.6
121.02850	0.9
122.07147	0.6
127.03886	0.8
129.06955	0.5
129.10286	0.5
129.72281	0.3
131.04903	1.5
132.05681	0.4
133.06476	100.0
134.06830	0.8
145.06470	4.5
147.04462	0.4
149.05975	1.2
157.06496	2.3
173.81854	0.3
173.96017	0.3
250.97696	0.5
251.10628	1.8
263.10638	0.7
299.05417	8.1
341.07312	0.4
461.14304	0.6
461.26236	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.4
53.03924	1.1
54.60067	0.3
55.01862	1.4
55.05500	0.5
56.05031	0.5
56.96547	1.1
60.04523	0.4
61.02887	0.4
63.25276	0.4
69.03426	1.8
69.07069	0.7
69.08668	0.3
70.06589	4.4
71.36644	0.8
72.08157	2.4
72.93788	0.5
73.02897	0.4
73.08453	0.4
79.05484	5.8
81.03400	1.0
83.06096	0.4
84.04504	1.2
84.08126	1.0
85.02899	5.7
86.09166	0.3
86.09693	6.7
87.04458	0.8
91.05474	4.0
91.28718	0.4
92.90881	0.3
94.04158	0.4
95.04973	2.1
97.02885	1.2
98.97578	0.8
99.81260	0.3
101.07084	0.4
101.25909	0.4
102.05597	0.3
103.05466	4.7
105.07024	39.9
106.07369	0.7
107.04944	18.5
108.05255	0.4
109.02866	0.5
110.07150	1.2
115.05450	2.0
116.98617	0.8
117.06980	0.9
120.08128	0.5
121.02814	0.4
121.06473	1.5
123.04427	0.5
125.69052	0.4
127.03907	1.2
129.06999	0.8
129.10213	0.7
130.04988	0.4
131.04933	2.5
133.06479	100.0
134.06825	1.1
134.99600	0.5
145.06474	9.1
147.04446	0.8
149.05978	2.0
149.07176	0.3
154.99026	0.5
157.06488	3.6
161.05925	0.6
173.12926	0.5
187.07532	0.8
188.00531	2.0
194.01672	0.6
201.12375	0.7
202.08163	0.5
205.03186	2.1
206.01569	4.2
214.77118	0.4
215.01561	1.9
223.04272	0.7
224.02676	0.8
229.11809	0.7
230.07747	0.8
233.02689	2.7
243.13199	0.4
247.12956	0.4
250.98051	0.6
251.10631	3.4
257.02621	3.5
258.98373	1.1
261.02130	0.5
263.10709	1.1
275.03751	1.4
287.07330	1.1
299.05505	1.1
317.08362	2.1
329.08514	0.6
330.14639	0.5
333.05368	0.5
335.09424	2.2
345.13052	0.9
359.09457	3.3
377.10583	1.5
387.06653	0.8
461.13589	15.8
461.19595	1.3
461.26422	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64587	1.5
55.01878	1.6
55.05500	3.2
56.96564	20.8
67.05486	2.5
69.07083	3.2
70.06590	7.4
70.18171	3.1
70.18557	3.7
72.08157	2.0
78.88351	1.4
79.05493	2.8
84.04523	1.8
84.08148	4.1
84.96021	5.7
86.09705	6.1
86.49796	1.5
88.04007	1.4
88.30556	1.4
91.05483	2.5
93.07050	2.7
98.97582	40.7
103.05459	1.8
105.07072	2.6
107.04960	15.1
107.08578	1.6
110.07109	1.9
110.97585	6.1
115.97803	3.1
116.98624	30.9
120.08109	2.5
121.02856	2.0
121.06554	1.8
128.98616	14.2
129.10207	3.2
131.00111	1.7
131.04961	6.1
133.06462	2.7
134.99660	22.0
140.00182	2.3
143.00183	4.1
144.98070	2.0
146.99632	15.7
149.01184	2.0
149.05957	3.9
152.54890	1.6
152.98590	2.0
153.00748	2.4
157.06427	1.8
158.99657	6.9
161.01227	7.2
162.99130	4.9
165.00763	5.0
166.83321	1.4
170.99641	7.9
173.09488	1.6
177.00708	15.7
189.00677	9.1
195.01859	2.4
201.00769	2.0
219.01743	7.5
231.01627	1.8
237.02838	29.8
249.02878	5.3
255.03819	2.7
260.04443	2.2
291.04059	2.3
299.11810	2.0
329.12820	7.9
341.12747	5.8
347.13748	49.9
359.13696	1.9
361.21738	1.6
365.14926	2.0
370.15363	5.3
461.17487	100.0
462.17719	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	461.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95617	1.1
56.05021	1.5
56.96555	11.6
58.00504	0.9
61.01143	0.9
65.76668	1.0
69.03413	1.4
69.07063	1.8
70.06588	11.4
71.06907	1.0
71.59660	1.4
72.08139	3.1
73.32997	0.9
74.06092	1.7
83.97646	6.1
84.04493	2.4
84.08128	3.1
85.02891	2.4
86.09698	21.1
98.97572	5.1
101.98643	2.7
105.07021	1.4
107.04957	8.1
110.07153	3.7
116.00140	0.9
116.98646	4.6
119.99687	1.3
120.08110	1.1
127.03893	0.9
128.00223	2.0
129.10226	1.5
132.10205	1.1
133.06500	2.2
134.99641	5.3
146.01230	6.7
146.99612	0.9
147.07684	1.2
155.01253	1.7
169.99425	2.1
172.02766	1.3
173.02330	4.1
174.00720	1.7
174.04391	4.0
175.02762	1.5
176.00507	2.9
187.02159	3.0
188.00514	24.0
189.04254	1.7
194.01602	7.5
197.00664	3.5
201.04420	1.1
201.12378	1.7
204.05370	4.5
205.03177	29.6
206.01575	54.6
211.02031	1.2
215.01599	31.2
215.13889	2.7
222.06496	3.5
223.04242	10.7
224.02557	4.9
229.03217	1.4
229.11819	1.5
230.01558	1.9
231.01076	2.6
231.06694	1.2
233.02654	37.3
233.15118	1.6
246.06451	1.6
249.02150	4.1
251.03677	2.6
256.04367	1.4
257.02658	47.8
261.02197	4.1
269.06366	4.0
275.03696	26.2
279.03140	2.6
287.07358	11.5
298.05304	2.9
299.05185	2.9
299.07904	1.5
315.06940	1.5
317.08389	25.2
333.07910	1.3
335.09448	38.0
358.11041	2.7
359.09464	44.6
377.10489	22.7
399.12979	1.0
400.12421	2.0
401.10443	1.5
421.60538	1.1
461.13516	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57875	0.8
53.03938	10.2
55.01865	5.7
55.05502	1.5
56.05023	2.6
56.40919	0.7
57.03429	10.0
58.67740	0.7
60.04512	2.9
61.01142	1.0
61.02924	4.1
65.03925	1.9
65.13240	0.6
66.89819	0.8
67.05495	3.0
68.05003	0.8
68.99782	12.0
69.03423	40.0
69.07050	3.7
70.06584	20.2
71.01344	3.5
71.04984	7.6
71.06921	1.3
71.66756	0.7
72.04587	0.6
72.08130	2.4
73.02913	5.0
74.06073	4.4
79.05470	3.0
81.03410	56.5
81.07039	1.4
83.01318	1.3
83.04971	6.2
83.06074	0.9
84.04493	7.0
84.08130	8.0
85.02895	79.6
86.06021	0.7
86.09697	48.3
87.00820	17.9
87.04443	1.3
87.05573	1.2
88.03959	1.5
91.03967	0.9
91.05466	11.2
92.00661	0.7
92.05811	0.8
95.01344	1.6
95.04964	4.5
97.02880	19.0
97.03925	0.8
98.06056	0.9
99.04441	21.8
101.02371	1.7
101.07114	1.5
102.05524	2.7
103.03924	4.5
104.05328	0.9
105.01858	5.4
105.03369	1.0
105.07037	1.6
107.04945	43.2
108.05293	1.5
109.02869	47.9
110.06046	1.0
111.00804	1.9
111.04436	5.8
112.08742	0.9
113.02393	1.1
115.03922	2.1
119.04935	1.5
120.08088	1.2
121.02853	3.3
123.04401	5.2
125.02332	3.3
126.05481	3.5
127.03903	100.0
129.01839	4.9
129.05486	0.9
129.06621	2.1
129.10219	2.7
132.10229	1.4
133.06500	1.5
135.04396	2.5
136.07520	1.8
137.02325	2.0
137.05966	2.5
139.03964	1.3
141.01886	1.0
143.03342	1.1
143.08359	0.9
145.04939	6.3
147.02881	1.5
147.04367	1.1
149.05917	0.8
151.03867	3.7
153.01868	1.2
153.06606	0.8
154.04979	2.1
155.03355	0.9
157.05011	1.1
157.06297	0.8
159.02945	0.9
159.04417	2.1
161.06003	2.0
163.03891	3.4
164.84964	0.8
165.05492	1.4
169.04951	2.4
171.02866	9.5
171.07614	3.4
173.04446	1.2
175.03851	1.5
177.05466	1.3
181.04845	1.4
181.06339	0.9
187.06001	3.5
189.03935	18.7
189.05479	2.3
189.08682	6.7
191.03372	1.1
193.04993	3.7
193.06641	1.0
195.02852	1.4
201.12300	0.8
205.04984	2.1
205.44940	0.7
207.06624	1.3
211.07825	1.1
213.03891	13.6
217.05043	3.8
217.08179	13.3
221.04558	1.2
223.05939	1.4
231.04918	6.2
235.05905	3.9
245.18570	8.4
247.05968	1.1
251.06996	1.1
253.07028	2.3
254.11487	1.1
255.04985	2.4
259.06134	1.4
277.07034	1.5
297.05951	0.9
299.05435	1.1
321.06033	1.7
329.10086	1.3
330.16608	1.9
339.07132	5.3
357.08127	1.4
383.11237	2.9
395.11099	2.6
407.11206	1.2
425.07034	1.5
443.08102	3.4
443.13528	0.9
461.09085	3.6
461.19998	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	460.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07542	3.1
55.05510	4.2
56.05018	4.5
67.05494	4.6
70.06587	31.9
72.08150	13.0
74.06065	4.0
75.54529	3.1
77.95809	3.0
79.05470	3.9
83.06116	3.3
84.04498	8.5
84.08130	14.7
85.02892	7.8
86.09702	15.3
91.05464	4.7
98.21542	4.7
105.44034	3.3
105.86995	3.2
107.04950	100.0
108.05294	7.9
110.07154	13.1
112.07577	9.2
116.07120	3.4
120.08093	6.1
129.10222	7.5
131.08211	5.1
133.06487	9.5
146.06026	4.4
147.04382	6.6
148.07594	6.9
150.09186	5.2
159.07709	8.0
165.09154	10.1
173.89699	3.5
188.09094	3.9
192.12309	5.3
206.10239	11.7
212.45619	3.2
213.09186	3.3
232.02969	3.8
248.12410	3.6
353.19693	3.4
354.19952	10.0
428.50443	4.0
460.26282	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	460.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.0
55.01873	8.4
55.05509	12.1
56.05032	3.0
57.03430	3.2
57.07077	5.0
57.07313	1.0
57.54176	1.0
60.04527	58.0
61.37222	1.0
67.05494	6.9
68.05022	3.8
69.03419	2.7
69.07067	13.0
69.47800	4.0
69.48231	5.2
70.02951	4.2
70.06589	2.8
71.04986	3.6
71.08631	3.1
71.72219	1.1
72.04517	17.9
73.02905	1.6
74.06071	2.4
76.79714	1.0
79.05492	19.4
80.05018	18.5
81.03416	5.0
81.07057	16.2
81.72554	1.1
82.06596	7.0
83.04994	6.4
83.08626	10.0
84.04498	5.3
85.02905	25.6
85.10169	2.1
86.06079	2.9
87.04471	3.9
90.05555	11.5
91.05459	2.3
93.07035	3.3
94.06544	2.4
95.04962	5.5
95.08616	2.5
96.04490	3.2
96.08139	8.3
97.06542	6.5
97.10170	6.5
98.06069	4.9
99.04459	3.4
101.02364	1.4
106.06567	12.0
107.04961	37.5
107.08611	1.8
108.04468	1.2
109.02875	1.1
109.10139	2.3
110.06046	29.6
111.04456	4.6
111.08102	1.0
111.11721	2.1
112.07626	2.7
114.05536	9.3
121.10175	1.6
122.06032	17.1
124.07591	26.1
125.06015	6.5
126.05526	4.1
127.03873	1.6
134.06024	12.8
135.04425	6.3
135.11665	2.1
140.07059	10.0
141.05492	2.4
141.11018	1.1
142.08636	5.5
152.07076	40.1
153.05466	47.2
154.52245	1.0
158.08186	1.6
160.09700	1.6
170.08125	47.2
171.06546	2.6
176.91745	1.1
185.25935	1.0
188.09181	63.4
189.09477	1.5
190.96317	1.4
206.10239	65.8
212.84196	1.0
254.24817	1.6
266.24850	2.1
272.25836	10.6
287.49640	1.0
308.25735	3.0
311.04382	1.5
314.26965	1.3
326.26810	7.4
344.28027	2.0
406.29196	1.7
419.97345	1.2
424.30539	20.9
434.70837	1.2
442.31650	100.0
443.32037	3.7
460.32718	51.6
461.33115	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	460.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	2.0
69.03436	1.3
69.35092	1.4
69.35497	5.7
70.06586	13.2
72.08147	2.6
73.90236	0.7
74.06083	0.9
74.63012	0.7
74.83481	0.6
79.05492	1.3
84.04501	1.8
84.08138	4.2
85.02898	1.0
86.06058	2.5
86.09685	2.6
87.04462	4.7
88.04002	0.9
89.03918	0.7
90.04922	0.7
91.05473	1.7
93.07059	1.3
94.06573	1.3
96.08131	3.1
98.21450	1.4
104.07096	1.6
106.06616	0.9
107.04944	20.8
108.08102	4.5
110.09657	2.8
116.04938	3.8
118.06496	0.7
120.04443	2.2
120.08080	3.3
122.06050	5.1
124.07594	6.3
126.09173	1.4
129.10226	1.6
130.04869	0.8
134.05995	1.2
136.03888	0.8
136.07553	7.0
138.05421	0.7
138.09108	4.3
144.04436	9.2
144.08131	0.9
146.05978	6.9
147.05537	2.9
148.03917	4.3
148.07562	2.7
149.07150	2.7
150.05528	1.2
152.07106	1.3
159.09155	1.4
161.07161	1.4
162.05530	3.1
166.08626	7.9
171.05461	1.0
172.03922	61.8
173.07129	3.9
174.05431	1.6
175.06300	2.7
176.07062	1.6
187.08652	11.7
189.06589	2.5
190.04958	15.1
191.08121	4.0
200.10806	0.9
204.06549	18.8
204.08437	1.1
215.08125	10.8
215.10030	1.4
221.09276	1.7
229.09679	7.2
232.13293	2.2
233.09186	12.2
255.11382	1.3
257.09204	11.3
257.12796	1.9
262.28369	0.8
273.12384	1.5
275.10223	16.0
279.11304	1.2
285.12445	1.5
307.10730	0.8
325.11774	8.0
336.15970	7.2
338.17465	1.7
357.14279	2.0
370.20599	0.9
386.17050	2.1
400.18597	4.3
410.17117	1.4
428.18143	100.0
429.18396	3.9
460.20575	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04296	1.6
55.05507	9.1
56.01484	1.7
58.63647	1.4
62.19585	1.6
63.79821	1.6
70.06571	1.5
71.57256	2.2
72.08154	100.0
74.91413	1.5
82.59449	1.5
85.02910	2.0
97.02887	2.4
97.08047	1.5
99.17796	1.7
118.08653	64.7
131.08162	5.1
132.06033	1.7
145.04932	2.3
152.14035	1.8
210.32028	1.6
321.11331	2.0
418.54132	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.5
56.05053	0.3
57.66730	0.3
60.04514	0.3
65.03928	0.6
69.03419	0.9
70.06589	2.7
71.60110	0.4
71.60500	0.4
72.08141	1.4
73.02914	1.0
74.06062	0.3
79.05461	0.4
81.03391	0.6
84.04485	0.5
84.08136	1.0
85.02910	1.9
86.09698	3.0
87.04449	1.1
88.04815	0.4
89.06026	18.6
90.06351	4.5
91.05473	7.9
92.58932	0.4
95.04955	0.7
95.06093	0.4
95.99783	0.3
97.02901	0.7
102.05544	0.4
103.63695	0.4
105.07042	0.6
106.06454	0.3
107.04956	5.2
107.07033	0.9
108.05269	0.6
110.07149	1.1
117.03346	0.4
119.04931	20.4
120.05308	0.4
120.08084	0.7
121.02878	0.5
128.07106	0.5
129.10141	0.5
130.08702	0.5
131.04906	0.5
133.08589	8.3
134.08929	3.6
135.04373	0.6
136.07561	0.4
143.07050	0.8
143.11739	0.5
147.04396	100.0
148.04756	1.6
163.03833	1.9
165.05518	0.6
177.00769	0.4
177.11203	2.3
178.11604	1.3
210.07570	0.6
212.03993	1.1
216.09697	0.4
222.13995	0.4
268.10431	0.3
288.60468	0.3
291.48550	0.3
298.19879	0.5
410.17142	1.0
424.88214	0.4
424.93832	0.3
460.25665	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3469
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
52.92001	1.7
53.03950	2.3
55.01876	2.3
55.05507	39.0
57.03479	1.7
57.07078	8.6
67.05505	10.6
69.06721	3.3
69.07066	40.1
69.94689	8.4
71.08632	7.9
79.05478	8.6
81.07056	24.5
83.04948	1.9
83.08616	73.6
85.06540	2.7
85.10177	3.8
86.55890	1.8
91.05476	5.1
92.03471	1.6
93.07047	21.4
95.04951	2.9
95.08598	35.5
95.92553	1.6
97.06538	3.5
97.10172	24.4
101.17322	1.6
102.13149	1.6
105.07031	6.6
107.08595	22.0
109.10152	18.7
111.08044	2.9
111.11710	11.9
116.52614	1.8
119.08585	3.5
121.06546	3.5
121.10143	32.7
123.11678	9.9
125.09636	2.8
133.10196	2.5
135.08055	2.4
135.11722	7.5
136.98157	1.6
137.06050	2.6
139.11188	2.1
149.13220	3.2
151.07626	6.3
151.40437	1.7
157.10158	2.0
160.95251	1.8
163.24100	1.8
169.08632	2.7
177.16383	21.6
179.18015	2.3
183.50766	2.0
195.17531	6.0
197.19032	1.8
201.12592	1.9
229.15904	2.5
237.14885	7.8
247.17032	8.4
263.16446	19.5
265.17950	8.7
423.32819	3.3
441.33795	3.7
458.27515	1.8
459.24661	3.6
459.34778	100.0
460.34903	2.7
467.63977	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	460.16
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.2
53.03933	1.1
55.01858	0.2
56.05011	0.2
57.03434	0.1
60.04512	0.2
62.80188	0.1
65.03936	1.0
66.04706	0.9
69.03424	1.0
70.06588	0.9
71.04982	0.3
71.15182	0.2
71.15508	0.2
72.08147	0.3
74.02446	0.4
77.03915	0.2
79.05491	1.1
80.05013	0.4
81.03409	3.2
84.04489	0.2
84.08127	0.3
85.02894	1.2
86.09699	0.6
87.04464	0.3
89.03918	0.1
89.06024	1.4
90.04688	0.8
91.05469	21.6
92.05746	0.2
93.07041	1.8
94.06553	0.2
95.04968	0.9
97.02880	10.0
98.97513	0.1
99.04449	0.8
103.05454	11.2
104.05790	0.3
105.03369	0.9
105.04525	0.2
105.07056	0.7
106.06563	0.3
107.04941	17.9
108.05268	0.3
109.02861	4.0
109.06535	0.3
110.07139	0.2
116.04977	0.2
117.05741	0.5
118.04146	8.6
118.06519	3.5
119.04961	1.1
119.07326	0.5
120.08090	10.7
121.06474	0.6
121.08442	0.2
122.06033	0.2
127.03903	3.7
130.06543	0.2
131.04913	5.8
133.05286	0.1
133.06490	0.4
133.08592	1.2
134.06137	0.2
135.04417	1.3
136.07584	0.5
146.05989	31.7
147.04391	4.3
147.06139	0.6
148.07552	3.4
151.03886	0.3
164.07045	47.8
165.05435	0.3
165.07396	1.1
172.07582	0.1
174.05482	0.2
174.97171	0.1
175.03894	1.3
176.96820	1.1
177.11229	0.3
186.09160	0.2
188.07069	0.5
192.06528	64.3
193.05130	0.2
193.06894	1.1
209.09105	0.1
210.07587	100.0
211.07927	1.7
216.09590	0.2
228.08656	0.3
242.08061	0.2
244.09700	0.3
248.05988	0.2
252.08669	0.7
272.09232	0.7
280.96051	0.3
282.09753	0.3
288.08737	0.2
290.10205	1.2
308.11292	0.9
318.09686	6.6
319.10175	0.2
327.72244	0.1
336.10724	19.4
337.11032	0.5
354.11801	13.2
355.11920	0.2
415.24921	0.6
460.15802	1.0
460.25546	0.2
460.31039	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.347
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
51.25369	2.1
51.70946	1.8
55.05519	18.7
57.07079	12.8
67.05493	4.8
69.07071	28.1
71.08633	11.2
71.58243	2.6
79.05487	9.0
81.07048	9.5
83.08640	14.0
85.10181	4.3
89.06022	1.9
91.05477	12.6
93.07042	25.0
95.04985	3.1
95.08591	12.9
97.06506	3.3
97.10164	7.8
103.05511	2.4
105.07037	14.5
107.04959	5.0
107.08600	15.6
109.06500	3.5
109.10177	7.1
111.11661	2.4
117.07006	3.8
119.04902	2.5
119.08568	13.5
121.06518	11.6
121.10143	5.2
123.08089	3.7
129.07013	3.6
131.08585	8.0
133.06488	5.6
133.10130	6.0
135.08060	32.6
135.11674	3.3
137.06000	2.3
137.09525	4.4
143.08586	5.2
145.06520	2.4
145.10132	9.0
147.08058	21.3
147.11687	3.6
149.09644	3.3
151.14775	2.4
151.62733	2.3
152.23895	2.4
155.08601	3.1
156.09328	2.3
157.10117	5.8
159.08052	24.7
159.11688	5.0
161.05998	4.8
161.09628	7.0
171.08090	4.0
171.11673	5.3
173.09615	10.7
173.13287	4.6
175.11183	2.7
183.11711	3.9
185.09659	4.3
185.13304	3.9
187.11124	2.8
189.09138	4.9
191.10568	2.2
197.13287	5.1
199.11168	5.8
201.12788	21.2
211.14925	2.8
213.12666	4.4
213.16333	2.2
215.14328	8.0
227.14325	4.9
229.15959	11.2
233.15337	5.9
241.15887	5.5
245.15392	3.0
247.14513	4.3
247.16943	60.5
252.82089	2.5
255.13780	4.2
259.17032	4.8
273.14844	17.4
283.16934	3.4
285.18619	5.3
301.17984	4.6
311.20038	2.6
315.23203	2.4
399.32498	4.7
405.31723	4.7
413.34091	10.2
423.32629	11.5
441.33667	100.0
442.34055	3.1
459.17950	4.5
459.34900	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	459.3471
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
53.03953	3.7
55.05513	59.0
56.96564	3.9
57.07077	5.7
59.05005	83.9
59.39013	2.0
64.64288	1.9
67.05507	38.6
69.07069	34.7
70.06602	3.0
70.50110	5.5
70.50467	2.8
71.01341	1.9
71.05000	9.2
71.08644	6.0
72.08128	2.1
79.05492	19.9
81.07059	71.8
82.62716	1.8
83.08613	17.6
85.06563	4.4
85.10176	3.1
86.09714	12.2
91.05473	18.7
93.07044	30.6
95.04996	5.8
95.08611	95.4
95.26598	1.8
97.06517	2.8
97.10175	40.7
99.63757	2.1
104.10796	3.1
105.07032	21.6
107.04963	10.4
107.08602	28.3
109.06531	6.7
109.10164	77.1
111.08115	5.1
111.11694	2.3
117.07055	7.8
119.08601	19.6
121.06544	4.9
121.10155	24.0
123.08070	8.0
123.11705	24.5
125.00021	6.6
125.09610	2.7
128.06273	3.7
129.07037	5.4
131.08568	17.2
133.10112	15.2
135.04471	3.4
135.08072	5.1
135.11743	8.0
137.09654	5.1
137.13249	19.3
139.14902	1.9
141.06978	2.5
142.07808	4.4
143.08585	10.9
144.09288	2.2
145.06546	2.7
145.10138	21.5
147.08093	6.0
147.11717	5.9
149.09636	3.3
149.13330	3.7
151.11218	2.6
151.14812	3.1
155.08612	8.0
156.09354	2.5
157.10146	15.8
159.08130	7.4
159.11700	23.0
159.30998	2.0
161.09680	5.5
161.13283	3.3
163.14792	3.8
165.12761	10.7
165.16411	16.2
169.10196	5.1
171.11739	8.0
173.09674	6.3
173.13321	9.2
175.11295	4.1
175.14868	2.8
179.14397	2.8
181.10170	5.9
183.11691	12.1
184.07358	30.0
185.09685	3.1
185.13303	12.3
187.11226	2.8
187.14857	32.9
193.16003	3.3
195.11774	5.4
197.13336	4.5
199.14841	4.2
201.12740	32.0
201.16399	4.6
205.15932	6.2
205.19551	2.2
209.13326	6.4
209.15445	8.8
211.14857	4.8
213.16432	8.7
215.18022	8.5
217.15865	2.1
219.13852	5.0
223.14810	5.2
225.16449	4.7
231.17371	3.3
233.19098	7.3
237.14825	19.9
239.14554	2.2
239.18141	2.9
240.10027	4.2
251.18013	8.0
257.19257	2.7
261.14935	3.9
267.17529	2.6
269.10739	3.6
269.19150	9.3
285.18567	6.8
287.20084	11.2
295.20898	3.7
295.64392	2.4
303.16132	4.3
303.19736	6.3
315.23413	3.7
321.22250	2.9
339.23239	5.8
367.18088	5.5
379.30099	4.4
385.19116	4.3
405.31613	4.2
423.33057	13.9
441.34406	18.4
459.34860	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76376	1.4
55.01883	1.5
55.05516	13.2
57.03433	4.7
57.07079	9.9
57.07301	1.8
66.19701	1.6
67.05502	27.8
69.07067	13.0
69.48579	13.4
70.04060	2.6
70.06600	2.2
71.04985	2.2
73.54944	1.8
74.60027	1.5
76.17818	1.6
79.05489	10.4
81.07053	24.7
83.08626	16.2
84.38176	1.5
86.09679	1.9
91.05485	14.1
93.07031	15.8
95.04961	3.4
95.08603	22.8
97.10172	5.5
100.11880	1.6
105.03398	1.7
105.07030	13.4
107.04948	11.4
107.08577	17.8
109.06499	4.9
109.10159	100.0
111.08004	1.7
113.00016	16.4
113.09624	2.8
117.07040	8.2
119.04956	3.8
119.08594	9.3
121.06521	10.1
121.10149	12.4
123.08069	1.8
123.11698	4.1
125.05914	1.7
127.11192	76.8
129.07001	6.2
129.09294	1.7
131.04906	2.0
131.08574	7.8
133.06470	3.7
133.10085	6.1
135.08043	6.1
135.11687	5.1
137.13260	18.8
141.12709	4.2
143.08565	2.9
145.06500	2.6
145.10106	10.5
147.08055	5.6
147.11703	5.0
149.09616	3.6
149.13220	2.0
154.99512	1.5
155.08514	2.9
157.06548	1.9
157.10161	5.6
159.08072	16.5
159.11659	3.6
161.09676	5.4
161.13170	2.4
169.02637	2.9
171.08052	2.5
171.11696	4.0
173.09636	6.2
173.13289	3.9
175.11150	12.6
183.11717	4.1
185.09673	3.8
185.13297	4.4
187.11195	6.0
187.14789	2.7
191.17911	2.9
195.11581	2.8
197.13268	3.4
199.14867	4.0
201.12752	28.1
203.14294	10.1
209.13284	2.2
213.12656	3.5
215.14217	9.9
217.15872	2.2
219.13733	2.4
227.14307	7.2
231.13884	10.1
233.15361	6.0
241.15669	2.2
245.15419	6.4
255.17450	3.2
259.16940	3.3
273.18506	3.0
279.21109	1.8
285.18484	3.7
287.16693	2.6
287.19955	15.5
297.21970	3.4
313.21640	6.8
315.19516	3.4
315.23175	70.8
321.22083	2.0
325.21353	3.1
339.23172	24.4
343.22818	10.1
347.22128	3.2
353.24896	2.5
374.21536	1.9
423.32739	11.0
441.33829	40.7
459.34274	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3467
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
53.03925	0.8
55.01860	1.3
55.05514	8.2
56.89945	0.7
57.03444	1.1
57.07078	5.5
67.05504	6.2
69.03429	2.6
69.07069	10.8
69.96530	3.4
71.04963	0.7
71.08617	3.7
79.05504	5.6
81.07055	15.8
83.04990	1.7
83.08615	12.1
85.06554	1.3
85.10191	2.6
87.62669	0.7
88.04179	0.6
91.05465	4.8
93.07040	10.4
95.04982	1.9
95.08601	11.7
97.06519	1.3
97.10178	5.1
105.07018	7.5
106.07384	0.7
107.04953	1.8
107.08615	6.4
109.06522	1.7
109.10145	6.1
111.08088	3.2
117.07060	1.9
119.04906	4.3
119.08562	5.6
121.06477	3.9
121.10139	5.6
123.08077	3.3
123.11700	6.6
125.09628	1.7
129.07030	1.2
131.08586	3.4
133.06509	0.9
133.10146	4.2
135.04390	1.0
135.08034	1.5
135.11684	2.3
137.13261	1.0
139.07542	1.3
143.07001	0.7
143.08510	4.3
145.10110	3.9
147.08031	3.2
147.11670	2.0
149.09604	1.6
149.13263	1.3
151.06392	0.6
151.07530	13.2
151.14790	1.1
153.09039	0.9
155.08559	1.0
157.10141	3.7
159.08022	3.7
159.11702	2.3
161.09641	4.7
161.13217	0.8
163.07565	1.0
163.11163	1.3
166.91286	0.7
169.08618	3.9
169.10007	1.6
171.08118	1.6
171.11740	3.0
173.09615	1.7
173.13248	1.3
175.11194	1.2
175.14876	1.1
181.10181	1.3
183.11649	1.1
185.09637	1.9
185.13303	2.4
187.11201	1.9
189.09126	3.3
189.12753	0.8
194.10945	1.0
195.11826	0.8
197.13313	1.1
199.11211	1.4
199.14864	2.0
201.12811	2.1
201.16446	0.7
203.14235	1.3
205.19565	2.7
207.10181	3.3
209.11690	7.0
209.13347	1.5
211.14946	1.1
213.12770	2.6
215.14343	2.7
217.12206	1.7
217.15668	0.8
219.13823	1.8
225.11194	2.3
227.14311	2.4
229.15944	1.2
231.13805	2.1
233.15434	2.3
235.13199	1.3
245.15433	3.2
247.16995	0.7
249.14648	1.5
261.14899	3.2
263.16431	23.0
269.15497	1.2
283.16956	1.2
285.18866	0.9
301.17953	2.0
329.24863	0.8
423.32648	3.9
441.33755	8.2
459.34689	100.0
460.34927	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	459.3466
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
53.03933	7.5
55.05265	4.3
55.05512	66.9
57.07063	13.2
59.05003	60.9
61.02895	3.5
67.05508	27.5
69.03391	3.3
69.06787	3.1
69.07066	39.3
69.66689	21.4
71.04987	8.3
71.08621	7.1
79.05486	22.4
81.03393	4.4
81.07056	41.2
83.08618	23.2
85.10220	3.4
91.05482	29.0
93.07045	68.0
95.04990	8.4
95.08607	67.6
97.06534	8.5
97.10179	47.1
99.78627	3.7
105.07027	48.3
107.04960	7.2
107.08586	35.5
109.06505	9.2
109.10165	28.4
111.08145	5.3
111.11692	3.8
117.07024	10.5
119.04904	3.8
119.08582	28.6
121.06480	11.8
121.10130	22.1
123.08118	5.1
123.11717	11.3
125.09642	4.5
127.11196	4.2
129.07021	7.0
131.08586	23.9
131.37506	3.3
133.06496	7.3
133.10095	13.8
135.08035	15.7
135.11661	13.6
137.09622	7.4
137.13272	18.4
141.06978	4.7
143.08548	11.2
145.10139	24.4
147.08044	10.7
147.11649	10.2
149.09612	6.2
149.13242	9.7
151.14767	4.1
153.09074	4.8
155.08548	14.6
156.09286	5.0
157.10132	16.9
159.08047	15.7
159.11684	16.5
161.09578	12.8
163.14790	4.4
167.08583	4.0
169.10126	12.0
171.08069	5.1
171.11642	9.5
173.09657	8.8
173.13229	6.1
175.11169	8.5
177.12747	12.9
177.16374	4.4
179.10748	3.9
181.10172	5.1
183.11707	9.5
184.07362	3.3
185.09612	3.8
185.13223	14.2
187.11119	6.2
187.14806	5.8
191.10622	3.6
191.17848	5.4
195.11711	8.7
197.13171	6.8
199.11127	7.3
199.14839	4.1
201.12715	16.1
203.14191	5.2
207.11674	5.9
209.13319	7.6
211.14867	7.7
213.12672	5.5
215.14334	7.4
219.13672	4.3
227.14442	6.6
229.16005	5.7
231.13896	4.3
233.15375	4.9
239.14293	4.2
245.15327	6.1
249.16275	4.9
251.17943	6.0
255.17447	4.3
256.68198	3.8
265.15747	4.3
267.17361	16.7
269.18970	13.2
283.16910	4.6
285.18454	5.4
287.19821	6.3
313.25003	5.0
315.23328	9.9
322.15842	3.7
325.21692	4.9
349.21552	3.3
405.31540	21.1
414.09341	3.8
423.27570	4.3
423.32632	59.0
441.28036	5.3
441.33813	100.0
459.34875	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04971	0.4
69.03424	0.4
69.47972	2.6
70.06586	2.1
70.09578	0.3
72.08148	1.0
73.02918	0.3
73.06543	1.3
84.04498	0.6
84.08136	0.6
85.02892	0.5
86.09706	2.1
87.04462	7.1
89.06023	100.0
91.05465	0.9
91.07623	0.5
107.04948	4.0
107.07072	3.8
110.47050	0.3
117.09144	0.7
119.04910	1.6
120.08068	0.3
121.02849	0.7
129.10223	0.4
130.08618	0.7
131.07047	2.2
133.08592	51.5
135.10175	0.6
145.02711	0.3
147.04393	6.9
163.03876	0.3
165.04308	0.3
175.09619	1.1
177.11209	10.8
221.13791	0.7
223.15431	0.3
239.14771	0.4
242.90385	0.3
247.12994	0.5
267.10223	0.4
269.81064	0.3
283.17313	0.4
459.16083	1.0
459.21841	0.4
459.27750	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.5
55.01869	10.7
55.05507	30.2
56.96559	1.4
57.03417	6.7
59.04999	1.2
65.03940	2.7
67.05497	34.8
69.03423	3.7
69.07063	9.6
70.06566	1.5
70.80987	2.4
70.81309	1.4
71.04980	3.0
73.02933	1.1
73.84483	1.1
79.05487	34.4
81.02968	1.9
81.03410	22.3
81.07051	27.9
83.04989	5.0
83.08610	15.8
84.08106	1.1
85.02903	1.9
85.06537	2.4
91.05476	26.1
93.07028	18.9
95.04954	15.4
95.08601	10.7
97.06498	3.9
97.10166	21.4
103.05472	1.4
105.06378	1.7
105.07024	23.9
107.04264	2.0
107.04946	21.4
107.08586	19.6
109.05878	1.1
109.06493	6.2
109.10142	9.2
111.08055	5.1
115.05446	4.1
117.07030	12.0
119.04948	1.5
119.08551	11.7
121.06496	15.3
121.10126	6.6
123.04409	1.9
123.08069	6.2
123.11708	1.2
125.06017	1.1
125.09622	16.3
128.06224	3.2
129.06995	14.4
131.04904	7.3
131.08575	11.5
133.06485	8.2
133.10080	7.0
135.08061	7.7
135.11702	2.7
137.05959	1.2
137.09636	2.2
141.06985	4.5
142.07761	2.3
143.08553	9.4
144.05727	1.5
145.06467	32.2
145.10107	7.8
147.04364	2.6
147.08032	8.0
147.11668	7.6
149.05994	1.6
149.09630	3.4
149.13339	1.2
151.07599	2.1
153.09111	4.9
153.12756	1.6
154.07773	1.2
155.08557	7.0
157.06464	7.1
157.10083	6.6
159.08035	8.0
159.11682	3.9
161.05942	5.5
161.09554	5.2
163.11125	2.7
165.06975	1.4
165.09143	2.0
167.08545	4.0
169.10156	4.9
171.08025	7.3
171.11644	3.8
173.09605	3.7
175.07544	2.0
175.11159	5.2
175.14821	1.4
177.09006	1.2
177.57304	1.2
179.08444	1.4
181.10106	3.4
183.08029	2.5
183.11636	2.9
185.09564	2.9
185.13284	2.3
187.11153	3.0
187.14723	2.1
189.09428	1.6
189.11217	8.4
189.12788	3.3
191.10623	1.7
193.10310	2.1
193.12228	17.5
195.08138	1.6
195.11694	3.2
197.09641	2.7
197.13243	2.6
199.11147	4.4
201.12738	1.2
205.12152	2.5
207.11635	1.7
209.09598	1.8
209.13301	2.6
211.11116	3.6
211.13231	2.5
213.12747	4.0
215.14340	4.3
217.12250	1.8
219.11639	1.4
223.11252	1.8
223.14859	1.5
225.12672	2.7
227.14276	3.3
231.13828	3.0
233.15425	5.1
237.12775	4.6
241.12222	1.2
241.14227	1.7
243.13907	1.5
245.15482	1.2
249.14932	2.2
255.13734	5.8
257.15298	2.6
259.13428	1.9
271.16980	1.9
273.14835	22.5
275.16595	1.4
283.16980	1.4
287.16354	3.4
289.18097	1.5
299.16495	1.4
311.16360	2.2
339.23279	8.2
349.21588	20.3
357.24225	4.8
367.22632	47.3
385.23694	50.3
403.24820	9.9
405.24225	3.3
413.26642	1.6
423.25092	2.9
441.26105	7.9
459.27368	100.0
460.27878	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93030	1.7
53.03944	4.5
55.01854	7.6
55.05510	29.8
56.96556	2.6
57.03415	7.6
57.07061	7.2
58.93503	2.1
61.02906	4.5
65.03954	3.1
67.05502	39.4
69.03408	7.7
69.06778	1.7
69.07069	22.0
70.04057	8.1
71.04973	3.5
71.60022	3.7
72.08172	2.2
73.02919	3.0
79.05490	30.9
81.03416	29.5
81.07059	33.5
83.04961	9.3
83.08617	12.0
85.02889	6.1
85.06505	2.3
86.09725	2.0
87.04456	2.9
91.03932	3.6
91.05474	32.5
93.07045	26.9
95.04970	20.7
95.08596	20.5
97.02871	7.7
97.06520	4.3
97.10150	9.0
99.04469	2.2
103.05431	5.4
105.07029	28.2
107.04968	16.1
107.08582	12.6
109.02856	2.8
109.06507	6.0
109.10159	13.1
109.10801	2.2
111.04424	3.4
111.08057	3.0
115.05453	4.0
117.07001	19.3
119.04934	2.1
119.08564	17.6
121.06503	5.8
121.10130	7.6
121.11098	1.7
123.04508	2.3
123.08067	3.9
123.11659	3.0
125.09618	5.5
127.03929	4.2
128.06216	7.5
129.06998	24.8
130.07816	2.0
131.04939	2.7
131.08566	25.4
133.06467	5.8
133.10095	9.8
135.08041	6.8
135.11700	4.9
137.05998	3.9
137.09587	3.3
141.07007	16.2
142.07774	7.6
143.08548	21.0
145.06508	13.5
145.10136	16.7
147.07988	3.1
147.11691	4.1
149.09590	3.8
152.06241	2.7
153.06982	9.0
154.07762	6.3
155.08540	29.3
156.09259	3.2
157.06493	5.6
157.10107	15.0
158.07251	2.5
158.97623	6.3
159.08058	5.0
159.11691	11.4
160.97356	3.5
161.05984	5.7
161.09636	2.7
161.13254	2.7
165.06966	12.6
166.07782	6.6
167.08539	18.0
168.09386	5.6
169.06493	5.2
169.10114	21.5
171.08032	10.7
171.11702	12.9
173.09616	5.5
173.11665	2.1
173.13255	4.9
175.05901	1.8
175.07614	6.5
175.14793	2.2
177.09065	2.5
179.08545	7.2
180.09276	3.0
181.06494	4.4
181.10106	19.1
182.07185	3.0
182.10880	4.0
182.76881	2.0
183.08051	11.5
183.11708	17.1
184.08798	2.6
185.09625	7.6
185.13191	7.4
187.07716	2.3
187.11176	4.3
189.11060	3.0
191.08560	2.6
193.10132	9.6
193.11993	2.6
194.10866	3.3
195.08029	10.0
195.11740	12.6
196.08832	4.9
197.09563	14.3
197.13266	14.0
199.07584	2.5
199.11154	6.7
199.14757	4.4
201.09076	2.5
201.12659	2.2
205.10153	4.4
205.12247	2.7
206.10991	2.2
207.11728	9.2
209.09586	10.2
209.13245	10.2
210.10437	5.1
211.11154	11.3
211.14812	4.4
213.12752	3.9
215.10773	4.2
215.14258	13.4
219.11787	2.6
221.13229	7.7
223.11125	7.5
223.14783	5.7
224.11961	2.6
225.12694	10.6
225.43217	2.1
233.13286	4.3
235.14771	3.4
237.12723	8.7
239.14250	5.9
247.14915	2.5
251.14336	5.0
253.15698	3.0
255.13794	2.7
255.17610	2.9
265.15747	4.2
271.16882	2.7
273.18463	2.8
293.04941	2.2
303.21146	3.0
307.20398	4.3
321.22125	4.4
331.20248	2.4
337.21503	4.7
339.23206	12.8
347.13074	2.4
347.22302	2.8
349.21524	24.0
367.18323	3.3
367.22696	48.7
385.23792	18.5
390.15857	8.2
413.26572	2.5
423.25113	4.0
429.26428	11.1
441.26343	100.0
442.26724	5.6
459.27325	83.3
459.33600	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	459.2737
Annotation	(+)-Lucidenic acid A
Peak:m/z	Relative Intensity
53.03936	3.5
55.01870	7.7
55.05508	16.7
55.86937	1.1
57.03433	6.4
57.07066	2.5
59.04996	1.2
60.62774	1.2
65.03941	2.1
67.05499	19.3
68.79470	1.1
69.03430	5.8
69.07069	13.6
69.47585	9.6
70.04057	1.7
71.04987	2.8
79.05492	20.8
81.03411	18.0
81.07048	20.7
83.04974	6.1
83.08611	8.8
85.02888	1.9
87.04420	1.1
91.05478	24.3
93.07034	15.8
95.04964	15.3
95.08603	12.8
97.02887	3.1
97.06538	2.1
97.10169	6.4
103.05463	3.3
105.07025	22.9
106.01868	1.0
107.04948	10.0
107.08583	9.8
107.15307	1.0
109.02882	2.4
109.06493	3.1
109.10165	6.6
111.04445	3.6
111.08062	1.9
113.00019	8.7
115.05416	5.8
116.06223	1.5
117.07010	15.5
119.04945	1.3
119.08585	14.1
121.06490	5.3
121.10135	4.4
123.04426	2.7
123.08057	3.0
125.09592	3.6
128.06181	6.5
129.05513	1.4
129.06992	19.7
130.07689	1.0
131.04951	1.6
131.08559	20.5
133.06480	5.7
133.10118	6.3
135.08018	3.3
135.11697	3.0
137.05861	1.1
137.09547	1.1
139.11110	1.1
141.06996	15.6
142.07773	5.2
143.08540	20.1
144.05699	1.8
144.09398	1.2
145.06479	9.8
145.10097	11.5
147.08049	3.0
147.11678	3.7
149.09627	3.1
149.13173	2.1
151.07538	1.4
152.06236	1.6
153.06979	7.7
154.07785	7.6
155.08543	21.9
156.09332	2.6
157.06477	6.7
157.10107	13.2
158.97623	4.7
159.08017	5.6
159.11664	6.6
159.97984	1.3
160.97333	1.8
161.06012	3.0
161.09631	3.2
161.13458	1.2
165.06969	8.8
166.07784	5.1
167.08553	12.7
168.09320	6.0
169.02626	2.8
169.06494	2.9
169.10112	20.2
170.07195	1.4
170.10875	1.4
171.08055	9.8
171.11656	7.5
173.06058	1.7
173.09608	5.6
173.13219	2.8
175.07593	2.8
175.11212	3.1
178.07799	3.6
179.08597	6.7
180.09323	3.2
181.06482	4.0
181.10103	13.0
182.07251	4.4
182.10861	3.4
183.08145	7.2
183.11693	15.5
184.08820	1.4
185.09575	6.9
185.13216	7.2
187.03665	1.4
187.07516	1.9
187.11111	2.2
187.14824	2.6
187.94386	1.2
189.09207	1.3
189.11246	3.5
191.08487	1.7
192.09306	1.8
193.10162	6.8
193.12173	1.7
194.07233	1.6
195.08005	8.4
195.11688	8.7
196.08870	3.2
196.12408	1.9
197.09624	8.8
197.11243	1.2
197.13286	8.5
198.10315	1.9
199.07597	1.9
199.11157	5.5
199.14839	3.1
201.09061	2.5
201.12639	1.9
205.10112	2.6
207.11723	5.6
208.08817	1.2
209.09645	9.5
209.13237	7.9
210.10295	2.6
211.11180	9.9
211.14822	2.3
213.09148	2.8
213.12732	4.3
215.14285	3.3
217.12146	1.4
219.11726	3.0
221.09668	1.5
221.13289	4.6
223.11166	6.8
223.14848	2.6
224.11995	1.6
225.12793	8.3
227.10730	2.5
229.12158	2.5
233.13243	2.5
233.15359	1.5
235.14818	2.2
237.12729	5.3
238.13474	1.6
239.14317	4.0
241.12419	1.4
251.14317	3.9
255.13782	1.6
257.15573	1.7
265.15790	2.0
271.17004	2.1
273.15048	1.2
273.18478	3.6
291.19720	3.1
293.19000	1.4
297.22519	1.6
303.20779	2.1
307.20395	2.6
309.22141	1.4
311.20270	1.4
321.22162	4.5
323.20084	1.7
325.21585	2.4
331.20557	2.0
337.21585	1.8
339.23145	9.4
347.22223	5.0
349.21494	21.0
355.22778	1.3
357.24365	1.6
367.22629	34.9
373.23383	1.2
375.25354	1.5
385.23679	15.1
390.15802	2.0
403.25134	1.8
413.27380	2.0
423.25247	4.4
429.26309	7.4
441.26346	100.0
442.26593	2.2
446.75320	1.2
459.21954	2.6
459.27408	64.6
460.27734	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	459.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	16.2
57.07056	5.3
61.99572	2.8
65.03918	2.9
65.59215	3.2
67.05505	23.4
69.03421	11.8
69.07054	12.4
70.06577	6.3
70.10805	10.2
71.04961	4.8
72.08133	3.2
73.02903	3.3
77.97208	3.2
78.08679	2.8
79.05488	8.1
80.10879	3.2
81.03397	12.4
81.07041	24.6
81.46957	3.2
83.04954	10.7
83.08602	10.4
84.08135	5.2
85.02882	12.0
85.06529	3.9
86.09686	6.8
87.00803	5.0
91.05470	9.6
92.23116	3.2
93.07042	11.8
95.04977	5.7
95.08604	33.9
95.09174	4.6
97.02895	3.4
97.06516	3.1
97.10114	3.9
99.04454	3.1
99.08038	4.4
105.01906	4.4
105.07015	12.5
107.04947	27.1
107.08574	22.1
109.06518	14.3
109.10149	93.5
119.08572	33.5
120.08090	3.7
121.02898	5.2
121.06509	4.2
121.10108	17.4
123.08057	15.6
123.11692	7.7
124.62127	3.1
125.09608	5.1
127.03886	3.6
131.08469	4.6
133.10133	24.3
135.11676	100.0
137.09630	15.1
138.10269	3.0
149.13310	6.6
151.11130	9.9
151.14810	13.8
165.16354	5.9
169.00150	2.8
175.14812	37.0
183.01923	2.7
187.10870	4.0
193.15865	56.0
211.14876	4.6
211.16910	92.4
247.12793	4.3
273.14752	3.5
356.95978	3.1
367.22412	5.0
385.23648	3.6
442.25967	3.7
459.26910	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	459.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.8
55.05501	13.1
55.76245	3.1
56.96572	20.1
57.03435	36.5
58.06606	6.0
60.08149	14.6
67.05505	23.9
69.07059	16.1
70.06586	7.5
70.33921	10.4
71.07370	8.1
72.08144	6.2
79.05489	30.5
81.07058	26.3
83.04910	3.9
83.08620	5.2
84.08108	3.9
85.06521	9.3
86.09705	66.8
87.10025	4.0
91.05484	39.3
93.07040	31.0
95.04968	10.7
95.08604	20.9
97.06512	6.4
97.10134	5.2
98.98457	6.3
99.08145	4.2
103.05459	3.4
104.10741	60.3
105.07027	27.3
105.11044	4.5
107.04940	33.6
107.08601	18.5
109.06522	19.8
109.10120	8.3
113.00011	30.9
115.05457	5.5
117.07024	21.6
119.08584	13.5
120.99941	3.3
121.06476	8.4
121.10141	6.3
123.08088	6.9
125.00005	35.4
125.05946	3.3
128.06276	5.0
129.06990	14.5
130.06552	4.2
131.08560	27.4
133.06464	7.5
133.10124	14.9
135.08076	11.5
137.09618	5.8
138.52940	24.3
141.06987	7.7
143.08545	10.3
145.06534	3.7
145.10112	19.8
147.04498	3.4
147.08043	14.0
147.11662	7.1
149.13235	4.7
150.03809	6.9
150.09483	3.4
155.08525	9.1
157.10115	14.8
159.08014	7.7
159.09186	6.3
159.11661	9.8
161.09654	12.4
169.10150	8.3
171.11697	10.9
172.95229	6.7
173.09729	7.5
173.13297	6.3
175.11200	4.9
179.08528	3.5
181.02733	4.3
183.11673	13.4
184.07321	68.2
184.08955	3.3
185.07607	5.6
185.13289	6.6
188.07086	4.3
189.12759	4.1
190.96312	6.0
197.13254	4.9
198.96840	11.9
199.14813	6.5
201.10278	6.8
201.12778	18.1
211.14914	4.3
216.97841	12.2
217.15839	9.6
223.07628	3.3
231.08923	3.6
240.09950	23.4
247.10835	10.6
249.14500	3.4
255.17448	9.3
257.61505	5.8
269.10571	6.1
273.18497	17.9
276.62363	10.4
285.62866	100.0
286.13058	38.0
286.63150	5.5
291.19577	5.3
294.63391	19.0
295.13544	7.5
331.15652	15.8
347.22235	43.8
349.16907	28.8
350.17203	6.8
367.17899	15.3
385.19052	9.3
441.33142	14.8
459.34418	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	459.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.05518	4.5
56.05026	1.0
57.03407	0.9
57.07073	21.6
60.45398	0.6
67.05498	3.6
69.03426	0.7
69.04527	2.0
69.07061	43.6
69.84688	3.2
70.04065	7.3
70.06586	0.9
70.07850	1.0
72.08145	0.9
79.05489	4.4
81.03433	2.2
81.07053	4.7
83.08635	1.4
89.06036	1.2
91.05462	3.5
93.07045	2.9
94.04081	1.0
95.02431	1.2
95.03579	1.0
95.04949	2.0
95.08599	1.7
96.69094	0.7
97.10181	1.1
98.03558	1.0
98.99998	3.0
103.05469	1.7
105.07005	3.9
107.04930	2.8
107.08597	2.0
109.05129	1.4
109.10168	0.9
110.03535	2.0
110.07156	2.4
111.04424	1.0
111.08066	1.6
113.01560	1.0
114.03004	9.3
115.07574	1.4
117.07004	1.7
119.08593	1.6
121.06507	1.2
121.10074	1.2
121.39709	0.8
122.03498	5.9
123.04284	5.3
123.07996	0.9
125.09613	0.9
126.99467	5.6
129.01019	7.9
129.07030	1.3
131.08575	2.5
133.08583	0.9
133.10120	2.0
134.07140	0.9
135.07872	1.4
136.06168	1.9
137.04659	1.5
137.05711	4.9
137.06865	1.3
139.00558	1.1
141.00990	8.4
143.08505	1.7
145.06467	2.1
145.10130	1.1
148.08675	9.7
149.05687	1.3
149.09499	2.0
150.10254	2.9
155.02615	2.6
155.08521	1.4
157.06322	4.1
157.10051	1.5
161.09572	1.3
163.07239	5.6
163.09845	0.8
163.11107	2.4
164.08067	5.7
169.04153	0.8
171.11707	1.0
177.05228	1.6
178.09781	2.2
185.05885	1.5
189.11179	0.9
191.06718	9.1
192.03294	0.8
192.07736	1.0
193.10796	8.2
196.07057	5.9
197.07259	10.2
197.13264	1.0
207.09984	4.5
208.02802	1.2
215.14297	3.3
220.02682	5.6
227.12759	1.5
232.02632	3.5
234.04163	1.0
235.01357	1.5
235.12981	20.2
235.15198	1.5
236.05917	1.2
247.13036	9.9
248.02293	1.7
248.13770	6.9
250.03755	1.2
275.12473	38.9
276.08963	4.7
279.09161	0.7
280.12759	19.1
288.08829	1.1
289.06003	10.6
321.22272	0.9
331.18848	2.1
332.19482	11.0
334.09491	30.0
335.09818	0.8
339.22964	1.2
367.22528	1.6
385.23590	1.5
390.15543	4.7
391.14694	1.7
403.12778	4.7
441.26346	2.1
459.19028	100.0
459.26770	3.7
460.19278	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	459.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01864	2.6
55.05504	9.9
56.05031	2.7
56.96553	1.2
57.03416	1.4
57.07073	30.4
59.04994	1.3
61.02928	1.9
64.22984	0.9
67.05500	11.6
69.00932	0.8
69.03413	1.0
69.07060	9.3
70.04073	21.9
70.06586	2.0
72.95383	0.8
79.05487	10.6
81.03414	4.2
81.04559	1.0
81.07049	10.9
82.99000	0.8
83.04897	1.6
83.08614	3.4
84.08114	1.0
85.02888	1.7
89.06038	1.1
89.62552	0.8
91.03957	1.0
91.05472	9.0
93.07008	5.6
94.04064	2.8
95.02466	1.8
95.04958	3.7
95.08600	4.0
96.03230	1.6
96.05602	2.7
96.08135	1.5
97.02856	1.2
97.10150	5.9
98.03538	2.5
98.21584	2.3
99.00006	3.0
100.05112	2.0
103.05463	2.1
105.07039	7.5
107.04945	5.7
107.08595	4.8
108.04366	1.7
108.05619	1.8
109.06480	1.8
109.10151	2.7
110.03506	4.7
110.05962	2.1
110.07162	10.9
111.08086	2.3
114.03004	27.4
115.05425	1.0
117.07035	6.3
118.83389	1.0
119.04955	1.2
119.08566	4.8
121.06399	5.1
121.10124	2.1
122.03506	32.7
122.07092	2.9
123.04280	23.5
123.07978	1.0
123.09266	1.3
124.08658	1.2
125.01528	2.2
125.09615	3.7
126.02982	2.3
126.99448	3.4
128.06239	1.4
129.01036	1.6
129.06989	5.1
131.04893	1.4
131.08543	4.5
133.06451	1.2
133.10126	1.5
134.07138	5.0
135.05397	3.2
135.07974	3.2
135.11624	1.2
136.08678	3.3
137.05797	1.6
138.01064	2.1
138.10240	1.1
141.00993	3.5
141.06989	1.3
143.08565	3.3
145.06435	3.1
145.10178	3.0
146.07077	1.3
147.11667	1.7
148.08681	48.7
149.05861	4.1
149.09509	6.8
150.10249	11.8
151.03804	1.1
153.09015	1.3
155.08554	2.6
157.06371	13.1
157.10060	2.8
159.08043	1.0
162.06453	1.3
163.11035	9.7
164.08170	3.7
165.00980	1.2
165.02176	4.0
166.00560	1.9
167.08574	1.1
169.04153	2.4
169.10112	2.4
171.11716	1.2
172.05040	1.9
178.07474	1.0
178.09749	9.4
178.98898	1.4
179.02574	3.1
179.10524	1.6
180.03220	3.1
181.10077	1.2
184.07376	1.0
185.05881	4.3
187.14879	1.5
189.11232	2.3
192.03233	3.0
192.07697	4.1
193.01698	2.3
193.12256	2.5
195.11711	1.1
195.13770	0.9
197.13225	2.3
203.02220	0.9
206.09276	3.0
207.05803	5.9
207.09984	16.0
207.11783	1.6
208.02762	2.9
209.13164	1.0
215.14294	8.5
220.02718	22.3
222.04288	1.3
222.12276	1.9
227.12733	2.6
232.02667	11.3
234.00725	1.3
234.04294	2.0
234.16002	2.8
235.01469	5.8
236.02261	1.5
236.05904	5.5
240.80733	1.1
246.04158	1.2
248.02200	5.2
249.02919	2.9
250.03864	4.6
260.05960	1.4
262.04910	4.0
273.14868	1.3
275.12506	3.4
276.08948	18.5
278.03293	1.6
288.08746	1.1
289.05960	46.2
309.72644	1.0
334.09494	100.0
335.09695	1.5
345.12064	1.2
349.21567	3.3
354.19470	1.1
367.22729	6.9
380.91269	0.9
385.23856	4.7
385.27921	1.0
390.15820	20.6
403.12790	16.8
441.26273	7.0
459.18997	19.4
459.27234	9.3
459.32928	1.1
472.72031	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1904
Annotation	Neotrilobine
Peak:m/z	Relative Intensity
51.34322	0.6
53.03938	0.6
55.05500	2.7
56.33411	0.6
57.07073	27.8
65.13997	0.6
67.05499	2.9
68.92395	0.6
69.07063	100.0
70.07441	1.2
70.07833	6.4
70.10464	3.2
79.05473	0.7
81.07047	1.9
84.47164	0.6
85.06577	0.9
91.05475	1.8
93.07063	0.8
95.04939	0.6
98.99993	5.0
103.03123	1.4
105.07037	0.9
107.04913	0.9
107.08604	0.8
111.04453	1.5
113.01567	2.2
115.07567	12.1
120.05697	0.8
125.09607	0.7
126.99465	9.8
127.00317	0.9
129.01028	17.7
129.01926	1.2
137.05753	1.7
139.00563	1.6
141.01013	22.6
155.02565	8.8
161.09590	1.7
163.07333	0.7
164.08104	1.3
177.05214	2.1
184.07367	0.6
193.10872	1.3
197.07275	51.7
207.13783	0.6
217.12332	0.7
223.63963	0.8
225.06778	2.4
233.10095	0.6
235.13095	4.5
247.12961	3.4
248.13785	2.0
275.12424	8.1
280.12811	2.6
303.19238	1.4
312.28049	0.8
331.18826	6.2
332.19571	4.9
334.09717	0.7
449.29810	0.7
459.19022	80.6
460.19583	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	459.1903
Annotation	Neotrilobine
Peak:m/z	Relative Intensity
53.00301	0.9
53.61290	0.6
55.05504	1.5
57.07072	28.7
60.15334	0.7
63.29977	0.7
67.05501	2.2
67.67448	0.7
69.07063	100.0
69.49677	1.5
69.50085	4.2
70.07494	0.7
70.07841	4.3
71.08626	1.8
74.55881	0.6
79.05495	0.6
81.07052	1.0
81.83888	0.7
85.10190	1.7
87.04500	0.8
89.06023	7.0
91.05471	1.9
93.07008	1.0
94.04156	0.8
95.04960	1.1
98.99984	5.1
107.04937	1.5
113.01552	2.2
115.07555	9.3
118.12502	0.7
119.08597	0.8
121.06501	1.8
126.99483	10.4
129.01019	16.6
129.01924	1.5
131.06958	0.7
133.08592	2.8
137.05753	3.5
139.00604	1.1
140.84818	0.6
141.01012	18.4
141.02081	1.2
141.60492	0.8
149.05753	1.1
150.30977	0.8
155.02579	8.9
161.09569	1.1
177.05197	2.1
177.11395	0.7
190.80060	0.8
193.10771	3.6
197.07272	46.2
217.11856	1.0
225.06763	2.1
235.13058	5.0
247.13020	4.3
248.13837	1.3
275.12454	8.8
280.12808	2.9
303.19296	2.8
331.18777	10.8
332.19461	2.5
389.32031	0.8
459.19022	80.0
459.32803	2.4
460.19287	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	459.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	1.4
55.01861	3.2
55.05505	7.1
57.07066	1.7
67.05505	5.7
69.07077	6.4
70.06593	5.8
71.59231	2.0
72.08140	2.2
79.05495	5.9
81.03399	1.6
81.07059	8.0
83.04993	1.6
83.08626	4.3
84.08131	3.8
86.09709	2.4
91.05482	8.2
93.07034	7.5
95.04961	4.4
95.08602	7.6
97.06540	1.2
97.10199	1.6
99.04411	1.4
99.08140	1.3
100.11236	1.6
103.05464	4.2
105.07037	17.7
105.07693	2.0
107.04951	100.0
107.08594	4.8
108.05319	1.2
109.06532	1.9
109.10157	4.9
113.00008	3.2
115.05438	5.9
116.06266	1.6
117.07033	7.4
119.04939	3.7
119.08591	4.3
121.02888	5.7
121.06498	4.7
121.10126	2.0
123.04406	1.3
123.11716	2.2
127.78657	1.2
128.06216	3.8
129.07001	12.4
129.10219	2.0
131.04929	12.4
131.08562	4.8
133.06491	41.9
133.10104	2.3
135.08047	1.6
137.05986	4.5
137.13329	1.6
141.06979	3.9
142.33723	1.2
143.04915	1.6
143.08582	1.9
145.06490	23.2
145.10126	2.8
147.04436	2.0
147.08011	2.8
147.11740	1.3
149.05969	4.2
149.13271	1.9
151.07516	2.0
153.06966	1.2
155.08545	2.7
157.06487	23.1
157.10101	2.1
159.08035	6.0
159.11639	1.3
161.05981	3.5
163.07512	2.0
165.06992	2.8
167.08504	1.7
169.06485	17.2
171.08000	1.7
171.11685	1.2
173.05963	3.9
173.09706	1.7
174.06711	1.5
175.07538	4.9
178.07753	4.6
179.07018	6.4
179.08577	6.1
181.06500	4.1
182.07262	1.2
182.15388	2.2
183.11760	1.7
184.07338	1.3
187.07559	3.2
189.06990	3.4
190.07761	1.7
191.08528	4.4
194.07254	1.9
195.08098	4.7
197.09694	2.3
199.07558	1.4
201.12701	1.2
202.07817	4.9
203.06937	1.5
203.08595	5.2
205.06526	2.6
206.07268	2.0
207.08055	9.2
208.08743	1.3
209.09595	2.5
210.14906	3.2
211.07556	2.7
215.08574	3.6
218.07243	2.1
219.08081	13.0
220.08781	2.8
221.05913	3.3
221.09627	3.3
222.06746	1.4
223.07568	7.1
229.03622	2.3
229.10202	1.7
231.08038	9.1
231.17326	1.2
232.08623	2.4
233.09573	2.0
234.06772	2.4
235.07535	15.5
236.08095	1.4
237.09119	5.2
239.06963	2.3
243.08086	2.1
243.10281	1.8
245.06070	1.2
245.09654	3.7
247.07518	9.5
248.08311	3.9
249.09181	5.6
251.07085	2.6
251.10672	2.6
253.08603	7.9
254.43436	1.1
255.10184	11.6
257.09616	2.4
259.07599	4.0
260.08163	3.0
261.09058	4.7
262.09857	1.6
263.07040	4.3
263.10355	1.5
265.08624	2.0
267.10181	9.9
272.08414	1.5
272.66528	1.2
273.09091	4.4
273.18594	1.7
275.07382	1.9
275.10617	3.6
277.08636	3.2
279.10153	6.6
280.10965	4.3
285.11508	2.4
287.16391	7.3
291.10126	5.9
292.10919	7.0
293.11847	2.4
297.11252	1.8
303.10098	1.4
305.11792	13.6
309.11169	1.4
317.11679	2.5
347.22128	2.3
347.78210	1.4
351.13843	3.0
379.13269	6.5
391.13077	1.4
397.14218	4.1
399.15549	1.6
411.16107	7.7
423.29071	1.5
441.29474	6.6
459.30554	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.7
53.26266	1.0
55.01621	1.8
55.01871	22.8
57.03426	3.8
59.04985	1.0
61.02923	5.1
69.03425	19.6
70.06582	3.6
70.07825	4.0
71.04979	2.4
72.08138	1.4
73.02908	4.7
79.05481	4.6
80.05496	1.0
81.03409	9.2
85.02905	37.8
86.09695	1.2
87.04462	3.8
89.06033	9.2
91.03957	1.8
91.05479	6.5
95.04967	13.4
97.02889	12.4
99.04465	2.5
103.05431	5.0
104.43214	1.1
105.07036	3.1
107.04950	87.8
108.05248	1.4
109.02866	3.8
115.05458	2.0
117.07021	5.0
119.04944	7.8
121.02927	2.0
121.06494	2.4
123.04434	19.8
125.06006	1.4
127.03919	8.3
128.06229	2.6
129.06996	2.3
131.04921	67.6
132.05746	7.9
133.06534	6.9
133.08592	5.6
135.04431	10.1
143.04944	1.4
144.05766	1.3
145.04955	4.4
145.06473	19.7
147.04402	15.5
149.06062	2.2
155.04890	2.0
157.06490	8.5
161.05972	3.8
165.55914	1.2
173.05986	11.2
178.07840	1.4
179.08549	2.1
185.05984	9.3
189.06966	1.5
190.07729	6.0
191.07016	3.6
193.10193	2.1
194.07240	1.4
195.08073	2.1
195.47421	1.1
202.07735	3.0
203.06917	1.4
203.08575	7.6
204.09279	1.2
205.10141	4.4
206.07240	1.9
207.07974	4.9
208.08864	3.4
209.09517	1.5
210.06723	1.4
214.94740	1.1
215.08583	15.8
218.07297	8.3
219.08035	6.1
221.09561	7.6
223.07497	2.7
223.11122	1.7
224.08363	2.1
231.08035	8.7
232.08737	4.1
233.09604	17.1
234.06729	2.8
234.10284	1.8
235.07520	5.7
236.08325	4.3
237.09125	2.9
242.07095	1.3
243.08093	5.5
244.08827	2.2
247.07579	1.7
249.09061	10.8
251.10612	7.0
260.08267	1.6
261.09097	37.8
262.09464	1.5
267.10153	97.3
268.10474	2.7
279.10156	100.0
280.10492	2.0
297.11227	43.7
298.11603	1.4
339.12225	1.1
350.92969	1.3
459.25266	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	459.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04266	0.7
51.79774	0.6
53.03935	1.4
55.01869	2.7
55.05512	3.6
56.05032	1.5
57.03428	1.8
61.01153	1.6
61.02910	0.7
67.05499	1.8
69.03424	4.7
69.07060	1.9
69.74469	2.9
69.74885	1.0
70.06596	15.5
71.06908	0.9
72.08157	9.4
73.02886	0.8
76.94341	0.6
79.05482	2.3
81.03410	2.8
81.07050	0.7
83.08617	3.8
84.04509	3.4
84.08135	7.0
85.02901	10.8
85.06542	1.0
86.06067	0.9
86.09214	1.1
86.09705	14.5
87.04477	1.0
87.05574	0.8
88.02202	0.9
88.32216	0.6
91.05482	3.5
93.07043	0.6
95.04966	2.8
97.02879	2.9
98.06060	2.2
98.98499	0.7
99.92288	0.6
102.05511	0.8
103.05460	1.8
104.05318	0.7
105.07027	1.9
107.04954	100.0
108.05287	2.1
109.02840	1.1
109.06522	0.7
110.07178	2.4
111.08111	0.6
112.03651	0.6
112.08737	0.7
113.07144	0.6
115.05467	0.9
115.08672	0.8
116.07079	0.9
116.98593	0.7
117.07058	1.2
119.04921	1.7
120.08122	3.2
121.02870	11.8
123.04415	8.7
124.07566	1.1
125.07114	0.6
127.03181	1.4
127.03986	1.5
128.06245	0.7
129.06973	2.2
129.10254	3.6
131.04930	7.6
131.08549	0.9
132.05705	1.4
133.06531	3.2
133.10088	0.8
135.04402	0.8
136.07568	1.3
137.05980	1.2
141.06984	0.9
142.08627	2.9
145.04950	1.4
145.06483	5.0
147.04428	3.0
147.08043	0.9
149.05949	0.7
155.11823	0.8
157.06490	5.4
159.07912	1.2
161.05998	3.3
161.09941	2.6
168.05623	0.8
169.06523	2.7
173.06012	2.5
175.07608	3.0
183.11349	0.7
184.09689	1.0
185.05859	1.1
187.07607	1.0
191.08562	0.9
194.07217	0.7
203.08519	1.4
205.10097	1.1
207.08098	1.2
215.08566	1.6
218.07434	0.9
219.08075	1.5
221.09650	1.4
223.07607	1.6
224.08260	1.0
225.09116	1.1
229.11855	1.4
231.07976	1.0
231.17043	1.7
233.09525	2.2
235.07666	1.1
236.08339	1.5
237.09145	1.5
249.09012	1.6
251.10797	1.7
261.09122	6.6
267.10159	18.2
268.10809	2.0
279.10144	13.7
280.10867	4.5
297.11215	16.3
298.11798	1.6
311.00861	0.7
343.20663	0.8
361.21548	11.8
414.23584	0.7
415.24527	2.4
429.15408	1.9
459.16431	9.7
459.22079	7.0
460.16705	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.7
55.01879	18.4
55.05502	5.1
57.03423	4.0
61.02936	2.7
64.36528	2.5
67.05489	4.7
69.03426	5.7
69.07070	3.4
69.88168	12.2
70.06597	16.2
71.04964	2.2
72.08154	8.1
77.97123	2.0
79.05485	8.9
81.03416	6.2
81.07047	4.8
83.04985	2.6
84.04496	5.0
84.08142	9.9
85.02917	16.3
86.09716	19.9
88.03992	3.1
91.05482	9.3
93.07020	4.5
95.04982	13.0
95.08607	6.4
97.02904	7.0
98.21410	3.5
103.05469	5.3
105.07029	8.1
107.04958	100.0
109.10157	7.8
115.05459	3.0
116.01702	3.8
117.07018	4.2
119.04956	4.9
119.08595	4.0
120.08132	4.0
121.02863	6.3
121.06488	3.6
121.10134	2.6
123.04421	13.9
127.03909	4.8
128.06192	4.4
129.07008	5.0
129.10255	5.1
129.40826	2.2
131.04936	44.9
132.05711	9.2
133.06488	11.4
135.04413	8.9
135.11722	7.9
137.05981	7.1
145.04999	2.1
145.06491	13.8
147.04410	12.0
149.05984	2.6
157.06525	10.7
159.07732	2.6
161.06026	4.6
172.34718	2.6
173.04494	2.4
173.06015	9.0
175.07520	3.8
184.07428	3.1
185.05975	5.7
187.07635	3.1
190.07831	2.9
191.08597	3.1
191.33179	2.3
193.10210	2.9
193.15932	2.8
202.07817	3.0
203.08527	5.7
206.11769	3.0
207.08069	3.5
210.06841	2.7
210.14897	3.9
211.17024	6.5
215.08624	10.1
218.07317	7.6
219.08093	6.2
221.09628	7.5
224.08356	2.6
231.08075	8.2
232.08838	3.6
233.09602	11.8
235.07610	6.6
237.09065	4.1
243.08017	4.6
248.08176	2.3
249.09134	9.0
251.10622	2.9
260.08377	2.1
261.09082	27.0
262.09592	2.8
267.10181	79.5
279.10190	69.8
279.13107	4.9
287.16052	6.2
297.11237	77.0
300.43964	2.2
301.87189	2.4
325.13190	3.4
336.21790	6.8
339.13956	2.5
441.17383	3.5
442.25809	7.4
459.17426	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	458.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	15.3
55.05501	32.9
57.07080	17.8
57.39298	10.3
67.05502	70.7
69.03415	30.7
69.07062	31.3
70.78606	33.1
73.65157	10.3
79.05497	41.3
81.03431	62.9
81.07066	100.0
83.08628	19.8
85.02908	36.6
91.05472	55.1
93.07043	71.3
95.05034	13.0
95.08603	82.4
97.02887	34.6
97.06497	11.2
99.04420	12.8
105.07042	39.7
107.08588	45.4
108.04527	10.3
109.02901	17.0
109.10159	39.1
117.07014	20.3
119.08600	35.9
120.96636	21.5
121.10142	39.3
123.08095	12.9
123.11701	13.3
127.03938	24.0
129.07004	14.4
131.08600	31.3
133.10124	31.4
135.11719	22.2
143.08545	15.5
145.10181	28.6
147.04353	11.5
147.11743	13.7
147.73636	11.1
159.11700	19.3
161.13173	14.6
173.13292	25.6
192.87959	10.5
243.20917	14.4
249.63542	11.7
261.22125	19.3
295.15424	12.9
338.27725	27.7
369.24069	18.3
440.32370	15.3
458.23120	17.1
458.33539	15.3
467.57440	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	458.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	37.4
55.18069	11.8
56.56864	10.7
57.03434	15.0
57.07059	28.4
67.05499	76.7
69.07072	58.5
71.08630	19.9
71.59934	16.5
79.05489	63.3
81.07075	94.2
82.06576	18.0
83.08595	38.1
91.05478	62.7
93.07048	100.0
95.08620	71.8
97.10201	18.4
98.98466	72.5
100.80072	13.1
102.34035	13.2
105.07010	29.4
106.07384	13.5
107.08610	71.9
109.10138	34.4
119.08553	24.9
121.06477	22.0
121.10143	59.1
131.08569	31.1
133.10110	20.7
135.08026	18.5
135.11711	31.2
135.75565	12.3
135.93071	12.2
147.11774	14.3
149.05896	16.0
149.13266	17.2
155.01010	68.1
157.09990	17.3
159.11722	18.6
161.09702	14.2
163.14841	19.0
167.07097	17.3
177.16238	16.1
204.15050	15.2
243.21074	49.7
261.22162	77.5
264.16809	18.4
304.23346	14.7
304.26416	56.5
356.23090	18.2
395.14395	13.7
422.31561	24.7
440.32434	35.0
454.01212	14.4
458.26392	40.4
458.33273	75.5
459.18527	14.9
477.99173	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03480	0.5
55.05507	0.7
56.05021	1.0
57.03412	0.7
58.06599	0.5
60.04515	0.6
61.39577	0.5
64.32153	0.5
67.05486	0.7
68.05017	1.7
69.07065	0.6
69.83272	2.7
70.06588	54.4
71.06898	0.4
72.08154	6.7
77.92403	0.5
79.05493	1.1
80.04990	0.7
81.03410	1.0
81.04532	0.5
81.07028	0.8
83.05022	0.5
83.06104	5.9
84.04494	1.1
84.08137	5.3
85.02898	2.0
86.06060	1.0
86.09705	3.7
87.04482	0.7
88.07625	4.6
89.06028	5.1
91.05470	1.0
93.04533	2.6
95.04943	0.6
95.06081	5.4
96.08129	0.5
105.07028	0.9
107.04948	3.7
107.06071	1.2
110.07157	20.8
111.05547	1.7
112.08716	0.9
113.07087	0.6
114.09158	29.3
116.07037	0.6
120.08115	1.3
121.07593	0.7
129.10211	1.2
130.04959	0.7
131.06094	1.1
132.10197	15.9
133.07622	0.6
135.09151	0.5
136.07486	0.6
139.05070	0.6
141.00984	0.5
148.08704	0.6
156.07674	4.1
158.11809	0.7
165.64574	0.4
176.12805	6.5
193.12180	0.8
220.15411	9.5
229.15538	0.5
246.14452	0.7
252.10104	0.5
264.18008	5.8
275.17401	1.2
285.15918	0.8
293.18564	0.7
302.18695	1.1
308.20685	3.2
311.19580	0.6
320.19540	1.0
338.20886	1.1
352.23340	1.1
367.22250	2.6
394.23203	1.1
395.22070	2.4
396.25540	0.8
412.24445	7.5
413.24170	0.5
440.23779	4.0
458.24533	22.4
458.29535	100.0
459.24802	1.7
459.30444	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	458.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04077	0.4
52.04321	0.5
53.03944	0.6
55.05510	1.3
56.05035	2.8
57.03422	0.8
67.05495	2.1
68.05040	1.2
69.03433	0.6
69.07050	1.2
70.06592	13.4
71.58530	0.5
72.08157	5.3
73.83767	0.5
79.05493	2.4
80.05009	1.9
81.03424	4.3
81.04552	3.0
81.07048	1.8
82.05318	1.6
83.05002	0.8
83.06100	16.9
83.08575	1.1
84.04508	3.9
84.08141	6.5
85.02894	1.8
85.06523	0.6
86.09702	7.0
87.05574	0.7
87.09245	0.5
88.03972	1.0
91.05487	2.0
93.04521	6.5
93.07054	1.2
93.95589	0.5
95.04977	1.4
95.06089	15.9
95.08595	1.0
101.07071	0.6
102.05517	1.3
104.05284	0.7
104.10796	0.7
105.07034	1.1
107.04964	2.2
107.06065	4.2
108.05623	0.8
109.06456	2.0
109.07647	0.9
110.07165	53.2
111.05557	3.8
111.07454	0.5
111.08131	0.6
112.08721	2.2
113.07122	1.2
116.07086	0.9
119.06038	1.1
119.08604	1.7
120.05600	1.3
120.08074	1.4
121.06570	0.4
121.06840	0.5
121.07616	3.4
121.10110	0.9
122.07132	1.1
123.09190	1.6
127.08668	0.6
129.07101	0.7
129.10242	4.2
130.05006	0.9
131.06061	3.4
131.16650	0.5
132.06775	0.7
133.06508	1.4
133.07629	3.7
133.10129	0.7
134.07043	0.7
135.09171	0.9
136.07649	1.0
136.08655	0.9
138.06624	0.6
138.56238	0.5
147.07764	0.7
147.09126	0.7
148.08661	2.2
149.07120	0.8
149.09584	0.5
156.07666	6.5
156.08769	0.7
157.10078	0.5
159.09164	0.7
169.07692	0.6
183.14975	0.5
184.07304	0.9
193.12250	1.3
230.15027	0.5
244.12878	0.6
247.10884	0.7
257.16446	2.5
275.17493	5.1
277.18997	0.7
278.00827	0.5
284.17560	1.8
285.15948	3.4
293.18585	1.0
302.18622	2.8
303.17084	1.0
304.20358	0.7
311.19785	0.8
320.19601	2.7
321.18027	1.4
338.20758	2.6
339.19095	0.7
348.18924	0.5
349.21146	1.3
367.22229	10.7
373.46155	0.5
376.22299	1.4
377.20782	0.9
394.23349	4.7
395.21875	3.4
397.23376	0.7
412.24414	14.6
413.23511	0.8
414.25909	1.2
423.36346	0.6
440.23926	10.5
441.23630	0.6
458.24966	100.0
459.25302	3.3
484.00314	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.8
55.01876	0.7
55.05506	2.1
56.05037	3.4
57.03438	1.4
60.04520	1.2
66.86414	0.5
67.05513	2.7
68.05006	1.5
68.15365	0.4
69.07066	1.3
70.02962	1.0
70.06590	30.8
70.87680	1.1
70.88022	0.6
71.06918	1.3
72.08153	7.3
74.06064	2.0
76.02237	0.6
78.53714	0.4
79.05494	2.3
80.05006	2.0
81.03416	4.0
81.04530	3.7
81.07061	2.4
81.07459	0.5
82.05320	1.6
82.06612	0.5
83.04985	1.3
83.06101	17.1
83.08624	0.8
84.04492	5.5
84.08138	8.9
85.02904	2.0
85.06549	0.5
86.06039	0.6
86.09702	11.7
87.05569	1.0
88.03996	1.2
91.05482	2.9
93.04531	7.6
93.07052	1.7
94.06576	0.9
95.04987	1.5
95.06086	18.3
95.08603	1.2
97.07663	0.6
97.10191	0.6
98.97590	0.6
98.98466	1.6
102.05539	1.5
104.10723	2.4
105.07047	1.9
107.04960	3.1
107.06090	4.0
107.08595	0.6
108.05581	0.6
109.06422	1.6
109.07660	1.2
109.10159	0.9
110.07162	66.1
111.05570	5.8
111.07480	0.7
112.08714	3.7
113.07127	1.4
115.08670	1.1
116.07076	1.1
119.06064	1.5
119.08565	1.1
120.05623	1.1
120.08105	1.4
121.07621	3.8
121.10144	0.6
122.07150	1.5
123.05596	0.7
123.09161	1.0
124.99987	0.9
129.07014	0.7
129.10255	5.4
130.05022	1.7
131.06067	3.1
132.06837	0.7
133.06224	0.6
133.06677	0.6
133.07562	2.9
133.10121	0.6
135.08017	0.6
136.07549	1.6
136.08569	0.8
139.05058	0.6
143.11781	0.7
145.07625	0.7
146.60519	0.5
147.11703	0.7
148.08728	2.3
149.07115	0.7
149.09512	0.7
150.10249	1.1
155.01080	1.4
155.08206	0.8
156.07663	7.8
157.10049	0.6
159.07896	0.5
159.09219	0.8
166.06183	0.6
184.07323	3.5
185.05551	0.8
185.09207	0.9
187.10754	0.7
193.12160	1.1
197.10336	0.5
217.14310	0.6
229.15334	2.5
230.07739	0.7
257.16510	2.2
270.30350	0.6
275.17520	4.3
284.17615	2.3
285.13156	0.6
285.16077	2.2
293.18536	1.8
302.18689	3.7
303.17041	1.8
311.19507	0.7
317.15897	1.5
320.19678	4.7
321.18259	1.2
323.20084	0.6
338.20728	5.0
339.19037	1.1
349.21359	1.1
366.20172	1.7
367.22278	7.3
376.22311	1.5
377.20718	1.0
384.21384	1.0
385.23407	0.6
394.23346	4.7
395.21741	4.6
397.23560	0.7
412.24417	16.8
414.25989	1.1
422.22791	0.6
440.23938	18.4
458.24969	100.0
458.30359	4.2
459.25183	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	458.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.05508	0.8
56.96555	0.6
57.03423	0.4
57.16176	0.2
61.02920	0.3
66.92688	0.2
67.05494	1.2
69.03431	0.3
69.07064	0.7
69.87551	0.6
69.87952	0.6
70.06569	0.3
71.59792	0.2
74.46041	0.2
79.05488	2.5
81.03397	0.6
81.07052	1.0
82.32809	0.2
83.08627	0.5
85.02888	0.5
86.09721	0.6
87.83752	0.2
89.06019	0.5
91.05496	1.2
93.07027	0.7
93.63480	0.2
94.06560	0.3
95.04966	2.5
95.08607	0.4
98.97565	0.2
103.05447	0.6
105.04528	0.3
105.07037	0.7
107.04951	100.0
108.05291	1.8
109.10157	0.4
109.72604	0.3
110.07174	0.6
112.07594	0.3
115.05484	0.3
117.06931	0.5
119.08583	0.4
121.06483	0.9
122.06918	0.3
122.09677	0.6
125.09631	0.3
131.08572	0.2
133.08566	0.2
133.10094	0.2
140.10698	15.6
143.08583	0.4
145.10135	0.3
152.10672	0.4
155.08534	0.4
157.10184	0.3
162.45769	0.2
163.22874	0.2
182.09322	0.2
184.07346	1.6
189.11188	0.3
197.13347	0.4
211.07512	0.5
215.14340	0.5
228.10130	0.5
230.11618	0.5
244.13234	1.1
246.14897	13.4
247.15234	0.3
257.58475	0.3
258.14890	0.8
336.15796	0.4
350.17477	1.0
351.18097	0.6
352.19058	22.9
353.19299	0.7
399.15665	0.7
440.15948	0.3
443.20508	0.4
458.17123	0.8
458.23172	8.6
458.32449	1.4
459.22748	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07917	2.1
54.13984	2.3
55.01865	3.4
55.05506	7.6
56.05025	9.0
57.03422	3.5
57.06152	2.3
58.06585	2.4
59.96669	2.2
60.04527	8.1
60.08164	14.6
67.04252	12.7
67.05497	4.3
68.05019	5.7
69.05815	3.3
69.07054	6.7
70.06590	70.7
71.06930	5.0
71.58506	3.6
72.08154	32.7
74.06073	3.0
79.05497	7.3
81.03416	4.9
81.07056	8.0
83.06095	5.6
84.04504	13.9
84.08144	33.8
85.02914	8.9
86.06068	2.7
86.09707	88.8
87.05585	3.3
87.10045	5.5
88.03980	3.9
91.05473	23.6
93.07041	3.0
95.04967	2.6
95.06097	5.6
97.02900	5.8
99.04495	4.0
100.02212	2.9
102.05534	6.0
103.03943	7.2
104.10741	2.9
105.07056	6.2
107.04972	11.7
107.06071	31.1
108.06872	3.6
109.02873	5.0
110.07157	7.1
111.05575	6.3
120.08104	10.6
125.01686	29.6
126.02493	17.9
127.03151	23.3
127.03957	9.1
129.06943	2.5
129.10220	25.7
131.04967	3.5
132.08093	4.5
134.06046	4.0
134.09624	4.1
136.07570	4.1
141.04817	6.7
141.10184	3.3
143.02754	7.0
144.03531	3.5
145.04190	4.9
145.05092	4.6
152.07104	6.7
159.11398	3.9
163.06007	5.3
169.04305	33.5
184.07335	8.5
184.08987	2.6
185.09793	3.5
187.05367	35.9
200.13976	2.4
201.12418	2.4
210.04256	5.1
210.39249	2.3
214.11909	4.5
228.11610	23.4
230.15770	3.1
260.08511	2.9
291.15018	2.4
304.51685	2.5
319.14783	6.8
337.15750	10.2
355.16757	24.7
360.20273	9.2
414.24191	100.0
458.24368	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	458.169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
55.01874	0.3
57.03429	0.5
57.07067	0.2
61.02930	1.0
65.96881	0.2
67.05524	0.2
69.03432	1.2
69.07066	0.7
69.62218	0.2
70.04075	100.0
71.03791	0.3
71.05002	0.3
72.08126	0.2
73.02927	0.5
79.05480	0.2
79.30437	0.1
81.03433	1.0
81.07055	0.3
82.12669	0.2
85.02899	6.1
85.06551	0.3
86.09745	0.2
87.04488	0.4
87.37894	0.2
89.55070	0.2
91.03979	0.5
91.05488	0.3
93.07095	0.2
97.02892	2.0
99.04456	0.3
99.08132	0.4
100.90643	0.2
105.07021	0.2
107.04958	0.7
109.02898	0.5
115.07566	0.3
117.79185	0.2
120.09093	0.2
121.06558	0.3
127.03873	1.1
145.04973	1.8
199.06996	0.3
232.06929	0.4
232.09276	8.6
256.09698	0.2
293.45337	0.2
296.09650	0.5
317.84116	0.2
391.03052	0.3
409.04102	0.2
415.24725	0.2
440.30264	0.3
458.25000	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.6
57.03426	0.4
57.07071	0.9
57.88482	0.3
61.02934	0.4
64.02374	0.3
67.05503	0.7
69.03423	1.0
69.07061	0.6
70.04074	100.0
70.06596	0.5
70.99646	0.4
71.00015	0.7
79.05506	0.4
81.03424	1.0
81.07057	1.0
83.08630	0.5
85.02909	2.5
91.05472	0.6
92.45058	0.3
93.07046	0.6
95.04958	0.5
95.08616	0.6
97.02862	1.4
99.08096	3.0
105.06991	0.6
107.04958	0.9
109.02869	0.4
110.07187	0.3
116.04195	0.3
116.15790	0.3
117.09165	0.4
119.08534	0.4
123.18600	0.3
127.03971	0.6
128.85771	0.3
145.04922	0.4
151.52115	0.3
181.11845	0.3
190.03226	0.4
195.10120	2.2
206.76892	0.3
225.11288	0.4
227.08386	0.7
458.29733	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01863	0.3
55.05508	0.4
57.07068	0.8
67.05486	1.2
69.07049	1.4
70.02252	1.1
70.02652	0.7
70.04085	0.4
71.08605	0.5
77.03923	0.4
78.05089	0.3
79.05496	1.8
81.07050	1.8
83.08601	1.0
85.79505	0.4
86.75686	0.3
91.05505	0.5
93.07028	1.1
95.04963	2.7
95.08612	2.2
97.06483	0.4
105.04546	0.4
105.07032	0.4
107.04950	100.0
107.08575	1.9
108.05299	0.9
109.06493	0.5
109.10161	1.3
111.08094	0.4
119.08573	1.0
121.10146	1.0
123.08043	0.9
123.11690	0.5
127.50741	0.4
133.10181	0.4
153.08963	0.3
163.14888	0.7
167.14310	0.9
174.77681	0.3
179.14302	1.1
259.05597	0.3
302.00513	0.4
333.27896	1.4
334.27722	0.3
349.27423	1.5
351.28915	26.0
352.29376	0.9
358.92834	0.4
435.25461	0.4
457.33630	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.7
56.05031	0.9
58.53150	0.7
58.99585	15.4
65.66708	0.8
67.23846	0.7
70.06585	1.9
71.41991	1.6
73.01173	1.1
76.02226	100.0
76.03996	3.4
79.05500	1.0
83.06083	1.0
84.04501	25.8
86.83170	0.7
86.99044	3.9
88.02200	2.1
91.05478	2.3
93.07040	3.6
95.04955	1.7
103.05485	1.6
105.07017	0.9
105.64613	0.7
107.04952	95.4
108.05249	1.0
116.01680	25.2
121.06501	33.0
130.04991	13.5
133.06505	5.5
142.03226	8.8
144.01143	12.8
146.02646	1.0
147.22632	0.8
151.07542	26.4
152.07938	1.1
162.00827	1.3
162.02205	43.6
170.02769	3.7
179.04849	74.3
187.05373	2.4
215.04861	2.1
216.03352	0.9
233.05901	20.9
233.08067	1.6
245.05898	3.9
290.07907	1.5
291.06543	1.9
308.09100	61.1
309.09464	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.5
55.01855	0.4
55.05500	0.6
57.03425	0.4
57.07071	2.3
59.04981	0.5
61.02926	0.6
67.05505	0.4
68.87797	0.3
69.03424	1.4
69.07053	1.5
70.04071	100.0
71.03745	0.3
71.04991	0.3
71.21341	0.7
73.02903	0.4
79.05490	0.7
81.03399	1.5
81.07056	0.7
83.04955	0.3
83.08609	0.5
85.02896	4.1
91.05500	0.4
93.07040	0.2
95.04976	0.6
95.29891	0.3
97.02863	2.1
99.04457	0.7
99.08084	13.4
105.07023	0.4
107.04974	0.9
107.08590	0.4
109.02872	3.4
110.07142	0.7
117.09119	2.6
119.08640	0.2
121.06541	0.4
123.04388	1.3
127.03899	4.4
129.01044	0.5
131.08548	0.3
132.11076	0.3
133.10124	0.3
141.01004	0.5
145.04984	0.6
159.10101	0.5
183.10165	0.4
195.10162	2.5
209.07285	0.6
222.82376	0.3
225.11179	1.5
227.08319	4.2
227.10321	0.3
243.12317	0.9
252.28064	0.3
261.13275	0.4
404.77728	0.3
458.24814	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3313
Annotation	30-Norhederagenin
Peak:m/z	Relative Intensity
55.05504	51.9
57.07065	32.7
58.61481	10.6
60.87425	11.3
67.05496	25.5
69.07069	65.6
70.02525	66.2
71.08626	29.4
76.46652	11.5
79.05484	33.0
81.07051	48.7
83.08618	74.2
84.68686	11.7
85.53275	10.8
91.05474	25.5
93.07037	38.5
95.08644	28.7
97.06613	13.7
97.10188	28.0
99.68606	12.9
102.60484	11.2
105.07019	42.2
107.04924	13.8
107.08612	32.1
109.06536	17.4
109.08804	11.0
109.10123	28.2
112.99998	17.0
117.07024	11.5
119.08585	36.1
121.06495	25.6
121.10161	23.2
126.01266	12.6
131.08571	12.3
133.10114	31.0
135.08084	36.6
138.77490	12.2
147.08041	38.0
161.09610	16.7
173.09662	19.0
175.14842	39.9
180.48898	13.4
183.10008	12.8
193.15889	41.8
207.91528	14.1
233.33516	12.3
245.15430	35.9
260.06113	13.0
271.13394	14.4
281.15057	13.1
317.17267	13.9
411.32498	17.5
421.30966	20.8
439.32260	100.0
457.33093	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.0
55.05511	64.0
57.07078	17.6
67.05500	11.3
69.03430	4.3
69.07069	58.4
71.04988	3.6
71.08635	13.8
71.59551	3.2
79.05496	16.0
81.07063	30.6
83.08620	100.0
85.06552	2.4
85.10175	3.6
86.33576	2.1
86.56277	2.3
91.05470	15.9
93.07045	32.6
95.04953	2.8
95.08613	22.3
97.06522	4.2
97.10166	22.9
98.98474	3.4
105.07022	18.0
107.08607	27.1
109.06516	9.7
109.10153	13.0
117.07014	5.9
119.08601	13.7
120.96628	2.7
121.06504	20.8
121.10168	15.7
123.08073	3.2
123.11736	3.2
125.06016	3.7
128.06244	4.1
129.07011	7.2
131.08568	12.4
133.06555	3.6
133.10098	10.8
135.08064	15.1
135.11713	8.7
137.06059	2.6
137.09657	2.6
137.13264	4.2
139.14857	3.1
141.06891	2.0
143.08575	9.5
145.06468	4.1
145.10121	16.4
147.08054	14.9
147.11694	6.2
149.09680	2.4
149.13278	8.2
151.14804	3.6
153.09085	4.4
155.01085	2.4
155.08595	7.1
157.06493	4.3
157.10121	10.0
159.08076	24.9
159.11726	7.3
161.06041	3.4
161.09651	9.1
161.13271	3.1
163.11145	2.4
169.10179	7.2
171.08095	8.1
171.11673	6.1
173.09637	20.5
173.13301	9.6
175.07628	2.8
175.11191	2.8
175.14833	13.7
177.16415	9.0
181.10152	5.7
183.11688	3.9
185.09624	6.1
185.13271	4.3
187.07582	3.1
187.11136	10.4
187.14836	4.3
189.09082	11.7
193.10220	3.0
193.15831	4.9
195.11768	7.0
197.09621	2.3
197.13223	7.3
199.11215	5.2
199.14777	2.9
201.12750	22.4
201.16444	2.7
209.13333	5.0
211.11169	5.5
211.14888	2.9
215.14391	8.7
219.13802	3.8
221.13293	2.3
223.11220	4.1
223.14900	3.2
225.12695	5.4
227.14227	3.8
229.15921	4.1
233.15424	5.7
237.16522	3.5
239.14204	2.3
239.18044	2.3
241.15839	5.0
245.15373	5.9
247.14771	3.9
247.17006	10.9
253.15839	2.7
255.13850	5.4
257.15320	5.7
259.16953	19.0
265.15833	7.7
267.17752	2.1
271.17044	3.2
273.14935	12.5
273.18539	6.1
283.16980	10.0
285.18585	14.2
295.20578	6.0
297.18805	2.3
299.16434	2.5
301.17950	93.7
302.18280	2.6
309.18481	2.3
309.22083	4.5
313.21597	3.9
317.17538	3.5
323.20044	2.6
327.23157	2.9
331.22449	3.2
337.21423	5.1
341.21350	2.9
355.22684	13.0
399.88840	2.1
403.29944	2.6
411.32755	2.8
421.31052	23.4
433.57242	2.3
439.32083	52.4
440.32242	3.0
452.19171	2.5
457.23367	4.5
457.32965	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3313
Annotation	Norselic acid D
Peak:m/z	Relative Intensity
55.05510	60.3
57.07087	11.6
59.04989	10.9
67.05513	47.5
69.03424	7.8
69.07071	63.8
70.13158	29.3
71.04985	11.1
71.08624	9.2
72.59898	5.7
79.05507	30.6
81.07063	81.8
83.04980	6.1
83.08620	47.9
84.08939	5.6
85.06493	6.7
91.05476	38.7
93.07043	73.6
95.04969	19.3
95.08606	99.5
97.06515	9.4
97.10175	32.6
105.07020	48.5
107.04948	18.3
107.08608	59.2
109.06496	16.4
109.10153	83.6
111.08076	14.5
113.09652	13.8
117.07052	10.1
119.08579	54.1
121.06489	25.9
121.10159	36.5
122.29862	5.6
123.11711	21.0
125.09636	29.8
127.11176	9.0
128.06279	8.1
129.06952	10.7
131.08611	29.8
133.06419	6.4
133.10138	35.1
135.08034	11.7
135.11688	23.1
137.09631	9.4
137.13232	29.1
143.08556	22.4
145.06479	9.8
145.10104	28.1
147.07983	13.9
147.11693	25.1
149.13248	13.1
149.61340	6.9
153.12759	66.1
155.08514	13.6
155.79962	5.5
157.10106	18.7
159.08098	33.8
159.11688	20.2
161.09605	11.9
161.13245	9.6
163.11151	6.5
163.14825	9.3
169.10132	16.8
171.11713	13.2
173.09596	26.6
173.13271	22.8
175.11206	14.9
175.14836	13.2
181.10106	10.6
183.11716	20.0
185.09605	8.1
185.13376	7.2
187.11211	13.6
187.14761	7.7
189.16368	19.5
191.18086	6.5
193.09920	7.9
195.11610	11.2
197.13261	14.9
199.11137	6.8
199.14932	7.2
199.19298	5.8
201.12752	52.4
207.11719	8.9
209.13275	12.9
211.11217	8.5
211.14731	7.9
215.14311	14.6
231.13821	13.9
231.17421	7.0
233.15366	10.9
237.16373	10.4
241.15857	7.1
245.15443	14.2
247.16895	9.5
249.16342	7.3
253.16125	8.3
257.15274	9.8
259.16876	7.3
265.15945	6.9
273.18286	10.2
285.18539	25.3
295.20520	7.9
301.18002	14.0
303.19479	28.1
313.21710	50.6
315.23318	36.8
316.79205	6.8
327.23090	11.8
337.21780	7.2
355.22629	15.4
369.23822	9.5
381.27805	9.1
398.24246	7.1
399.28445	6.9
403.30148	12.2
421.31128	40.1
439.27386	7.5
439.32178	93.2
457.27942	7.1
457.33344	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	3.8
55.01854	4.5
55.05507	55.1
57.03424	6.7
57.07064	9.5
59.04990	7.6
59.34674	3.9
63.20097	4.9
67.04778	4.1
67.05513	33.7
69.03422	15.6
69.06732	4.6
69.07070	44.6
70.06580	13.5
70.94839	9.0
71.08627	8.3
72.08157	5.8
79.05485	29.4
81.03408	4.7
81.07059	56.2
83.04965	8.5
83.08606	30.2
84.08120	14.7
85.06525	17.3
86.09694	14.0
91.05460	29.5
93.07030	52.2
95.04955	13.4
95.08600	51.6
97.06515	10.4
97.10173	26.8
99.08105	6.7
105.07028	58.5
107.04958	27.8
107.08582	54.3
109.06523	10.2
109.10159	43.5
111.08088	5.4
117.07018	14.8
119.08586	37.8
120.08149	5.5
121.06507	28.9
121.10116	22.6
123.08023	7.9
123.11700	16.0
125.09634	68.6
127.11131	8.2
129.07016	8.8
131.08559	23.9
133.06499	13.7
133.10143	21.8
133.14304	4.1
135.08080	21.3
135.11693	20.4
137.09595	14.2
137.13222	16.0
141.06921	6.4
143.08536	17.1
145.06409	4.7
145.10146	35.1
147.08023	15.1
147.11688	15.0
149.09615	7.7
149.13222	8.8
151.11163	6.5
155.08531	12.3
155.14200	4.9
157.10117	15.4
159.08041	50.7
159.11691	15.7
161.09590	14.5
161.13252	8.9
165.16359	5.2
169.10139	10.8
171.08080	7.2
171.11647	11.5
173.09569	20.5
173.13306	27.6
175.07486	7.0
175.11215	12.8
175.14827	12.9
181.10048	6.3
183.11656	14.6
185.09708	9.3
185.13231	12.6
187.11153	12.6
189.12811	6.1
191.10648	4.8
193.10175	5.1
193.15788	5.7
195.11703	11.6
197.13191	8.3
199.11115	7.7
199.14764	5.3
201.12747	95.8
202.13120	4.9
203.14278	20.5
209.13266	11.7
211.14842	6.2
213.12752	9.2
215.14368	20.5
219.13719	6.9
225.12759	13.2
227.14272	10.5
231.13762	13.2
233.15382	8.9
235.15033	5.3
239.14287	5.8
239.18076	4.4
245.15361	18.5
247.16978	8.2
249.16467	5.3
251.12680	5.2
255.13939	4.4
265.15469	5.8
269.10535	9.3
275.16559	5.8
283.17267	5.4
285.18372	12.6
287.20004	10.3
295.20593	9.1
301.17923	10.3
303.19260	7.9
311.19699	7.2
313.18283	8.1
313.21622	92.5
315.23193	100.0
316.23422	10.8
327.23157	7.4
337.21616	25.2
338.21936	4.9
339.23056	5.5
341.21179	10.5
353.09967	6.0
355.22797	22.6
373.23813	33.4
395.29465	5.1
397.31192	5.7
403.30029	5.6
421.30884	19.8
439.32300	88.6
440.32803	5.1
457.33426	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46724	0.2
52.13937	0.2
56.96553	0.3
58.23788	0.3
61.02908	0.3
67.05495	0.6
69.03387	0.3
69.07053	0.4
69.73003	0.3
70.06589	1.9
70.21466	0.9
70.21850	0.4
72.08138	0.6
79.05451	0.4
81.03398	0.5
84.04502	0.4
84.08117	0.7
84.56659	0.3
85.02891	0.8
86.09698	1.1
91.03932	0.3
91.05460	0.5
93.03086	0.3
93.07051	0.4
95.04943	0.5
95.06026	0.3
97.02879	0.5
98.97562	1.1
105.07011	0.5
107.04949	3.3
107.08602	0.3
108.05269	0.4
110.07169	0.4
111.06792	0.3
116.98596	0.4
120.08076	0.4
121.06436	0.5
124.07622	0.3
129.10207	0.3
131.00156	0.2
133.06471	0.4
134.99663	0.5
136.06171	0.5
137.05957	2.6
147.67488	0.2
149.01318	0.3
150.44618	0.2
152.08156	0.6
155.05762	0.3
158.99591	0.3
161.05978	0.6
163.03903	0.4
176.49706	0.3
177.00697	0.6
186.02322	0.3
199.07564	0.3
203.05240	2.6
203.08501	0.5
212.10394	0.3
219.01842	0.3
231.07997	1.2
248.08269	0.4
251.09528	0.3
259.07480	0.5
260.08466	0.3
262.09677	0.3
263.10733	0.5
273.09415	0.4
276.07932	0.3
277.08798	0.3
277.17722	6.1
291.10147	1.8
295.18878	1.4
307.17654	1.1
319.04535	0.3
323.12711	2.0
351.15845	0.3
369.18756	2.1
371.17181	0.6
376.21310	0.3
381.13330	1.0
399.14438	0.9
413.14847	0.3
439.22986	1.9
457.24045	100.0
458.24524	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2405
Annotation	Lys Phe Tyr
Peak:m/z	Relative Intensity
53.03930	0.9
55.01849	0.7
55.05505	0.8
56.99049	0.3
57.03427	0.6
60.49768	0.3
61.02918	0.4
67.05506	0.7
67.46947	0.3
69.03419	3.1
69.07077	0.7
70.06583	1.1
71.04992	0.6
71.59944	0.7
72.08151	0.4
79.05499	0.6
81.03416	2.7
81.07036	0.9
83.04973	0.6
84.08132	0.5
85.02903	3.8
87.00819	1.2
87.04452	0.7
89.06017	1.1
91.03945	0.4
91.05489	0.8
93.03151	0.4
93.07041	0.7
95.04955	1.0
95.08627	0.9
97.02855	1.2
97.06527	0.6
98.97583	0.4
99.04425	1.0
105.01860	0.6
105.07017	1.1
106.14343	0.3
107.04929	1.8
107.08591	1.5
108.05254	0.5
109.02857	1.6
109.06499	1.3
109.10145	0.6
110.07241	0.4
119.08585	1.0
121.06519	0.6
121.10140	2.8
123.08073	1.1
123.11700	0.6
127.03908	2.5
133.10147	0.7
135.08028	0.6
137.09631	2.7
145.04973	0.6
147.11613	0.7
149.09596	1.5
149.13260	1.2
151.11177	5.7
159.02876	0.6
165.12737	7.1
191.14301	1.4
193.15852	0.7
209.15353	24.3
210.04308	0.8
210.15726	0.7
225.13483	0.5
237.02789	0.5
295.18787	0.9
369.18842	1.2
371.16772	1.0
439.23120	0.5
457.24078	100.0
458.24506	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	457.2407
Annotation	Lys Phe Tyr
Peak:m/z	Relative Intensity
50.20467	0.2
53.03926	0.4
55.01853	0.4
57.03428	0.4
59.70628	0.3
61.02914	0.5
67.05504	0.5
69.03416	0.7
69.76973	0.7
69.77367	1.6
70.06588	6.6
71.04963	0.6
72.08147	0.8
73.02879	0.3
79.05483	0.7
79.20797	0.3
81.03400	1.2
81.07063	0.9
83.04944	0.3
83.08609	0.4
84.04435	0.3
84.08121	0.9
85.02910	1.8
86.06060	0.5
86.09696	2.2
87.00752	0.3
87.04446	0.5
91.05469	0.9
93.07023	0.4
95.04962	0.8
97.02868	0.8
97.06515	0.6
98.97556	0.3
99.04494	0.3
105.07003	0.4
107.04944	4.9
108.05280	0.7
109.02868	0.5
110.07136	0.5
113.07108	0.4
116.98588	0.4
120.08124	0.4
121.02869	0.4
121.06484	0.5
122.02739	1.0
127.03920	0.9
131.08553	0.4
132.10231	0.4
136.07544	0.4
137.06021	0.8
147.04427	0.5
149.09595	0.4
157.06372	0.4
163.03897	1.3
164.04172	0.8
192.03267	1.9
193.12187	0.6
194.12482	0.4
201.12344	0.5
203.05295	2.6
210.04291	4.5
211.13293	1.2
212.13625	1.0
227.36046	0.4
229.15446	2.8
273.09402	0.6
277.17740	7.1
279.19308	2.2
295.18796	1.9
301.12839	0.4
359.20157	0.4
369.18842	1.4
371.16882	0.6
439.22998	2.2
457.24084	100.0
458.24515	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	457.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.05512	25.5
57.03440	12.4
57.07066	6.1
62.55151	1.5
65.03928	1.8
65.91146	1.6
66.60304	1.5
67.05505	46.3
69.07067	32.4
71.08615	1.7
71.32343	3.2
79.05499	13.4
81.07053	47.7
83.04978	1.7
83.08615	14.3
85.06540	2.5
91.05466	8.1
93.07051	13.9
95.04967	2.9
95.08606	35.0
97.06539	3.9
97.10181	9.0
105.07035	8.8
107.08589	12.0
109.10170	12.0
119.08563	4.7
120.96640	66.2
120.97526	3.2
121.10161	6.0
123.08061	2.0
123.11709	7.1
133.10126	4.4
135.08083	3.0
138.97749	3.4
145.10159	2.1
147.11717	4.4
149.13188	1.6
156.97467	9.2
161.99359	2.0
174.98550	15.4
195.00290	8.7
198.00113	2.0
213.00084	13.4
231.01158	4.2
321.22983	2.6
337.27371	100.0
338.27924	5.4
359.25510	23.2
360.25882	2.4
374.16800	1.7
401.19492	2.5
439.21939	5.8
439.31790	2.8
457.23093	57.0
457.33151	3.5
458.23401	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.206
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02258	2.2
55.01886	2.4
55.05513	5.7
56.96540	3.2
57.07059	3.1
59.84628	2.6
64.97968	2.4
67.05497	6.2
69.03426	16.4
69.07051	15.8
70.06583	6.5
71.04962	5.5
71.13387	6.3
72.08121	3.2
73.02909	3.0
79.05478	7.5
79.12892	2.9
81.03416	7.5
81.07030	13.2
83.04965	12.1
83.08601	5.2
84.04527	2.5
84.08121	5.0
85.02890	11.7
85.06546	2.6
86.09695	4.1
87.00810	3.7
90.21333	2.5
91.05479	7.2
93.07036	9.8
95.04948	7.5
95.08603	26.9
97.02868	3.3
97.06509	4.5
99.08073	3.3
105.07020	7.5
106.06508	4.8
107.04944	14.8
107.08589	43.5
108.43518	2.6
109.02835	3.4
109.06494	7.5
109.10141	18.1
119.08531	7.8
120.40204	2.4
121.02888	4.4
121.10133	39.4
123.08078	7.5
123.11716	5.5
125.09594	13.5
127.03893	3.4
131.08534	8.2
133.10127	18.1
135.08061	17.4
135.11700	8.1
137.09592	13.3
139.11119	7.0
139.87375	2.7
145.04991	2.7
147.11670	9.5
149.09610	12.0
149.13217	24.6
151.11171	100.0
153.09044	3.5
158.10849	3.9
159.02946	3.2
163.02463	2.5
163.14812	18.5
165.12714	9.0
173.13289	15.7
180.10199	19.0
191.14293	97.0
209.15359	84.6
224.10699	3.0
237.02750	4.7
264.17102	2.9
300.12125	7.5
389.14761	7.7
457.14526	11.0
457.21817	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	457.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.01845	1.8
55.05491	1.4
57.03403	1.0
57.57174	0.6
57.90189	0.7
59.04990	0.5
61.02903	1.3
67.05474	2.2
68.76644	0.5
68.99755	1.0
69.03086	0.6
69.03422	10.8
69.07042	1.5
70.58858	1.4
70.59216	1.2
71.04980	1.5
73.02903	1.4
79.05462	1.4
81.02975	0.9
81.03411	11.7
81.07043	4.1
83.04932	1.9
85.02431	0.8
85.02904	14.1
85.17832	0.6
87.00832	6.0
91.03873	0.5
91.05446	2.2
93.07007	2.1
95.04951	3.2
95.08606	3.9
97.02888	4.8
97.06506	0.7
99.04410	2.6
105.01857	4.0
105.07028	3.3
107.04920	1.3
107.08581	5.6
109.02879	6.3
109.06506	6.1
109.10117	3.3
117.01849	1.5
119.08542	2.1
121.06442	0.9
121.10134	9.6
122.07243	1.8
123.08047	5.5
123.11664	2.2
127.03906	9.1
133.10112	1.7
135.08023	1.5
137.09608	11.5
137.13255	0.9
145.04973	3.0
147.11627	1.1
149.09647	5.4
149.13254	5.4
151.11176	44.1
158.10980	0.6
159.02885	3.5
165.12744	38.3
166.13129	0.7
173.13254	1.1
191.14276	4.7
191.35167	0.5
193.15857	5.4
209.15347	100.0
210.15665	1.6
231.04948	1.5
306.92725	0.6
406.38925	0.7
457.17584	1.3
457.24051	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	457.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.4
53.67659	0.8
55.01866	1.4
55.05497	3.2
56.05041	1.0
56.96563	0.8
57.71878	0.9
60.04509	3.1
61.02915	1.6
65.85065	0.8
67.05500	1.9
68.04996	1.0
69.03423	6.1
69.07058	2.4
70.04047	1.4
70.06590	41.7
71.04968	1.7
71.06896	3.9
72.08140	4.4
73.02912	1.8
74.06079	1.8
78.37382	0.8
79.05487	2.0
81.03427	4.8
81.07045	2.1
81.39127	0.8
83.04984	0.9
83.06072	2.5
83.08549	0.8
84.04487	1.4
84.08129	3.5
85.02902	9.2
86.06065	6.2
86.09694	6.3
87.00831	4.6
88.04012	1.6
91.03977	0.9
91.05468	9.0
93.07034	5.5
93.30492	0.8
95.04970	1.3
95.06091	1.9
95.08598	2.2
97.02871	3.6
98.03541	2.7
98.06024	2.1
99.04427	3.2
99.08126	1.2
101.07127	4.9
102.05552	1.1
105.01850	2.1
105.07044	2.5
107.04951	17.5
107.08589	4.6
108.05291	3.4
109.02892	4.5
109.06512	0.9
109.10143	1.1
110.07140	1.5
115.08670	3.6
116.07075	6.4
119.04948	1.2
119.08569	1.2
120.08091	3.2
120.99538	1.1
121.06481	3.5
121.10143	6.5
122.06827	2.0
127.03909	7.7
129.10239	2.1
130.06494	0.9
133.10144	1.0
135.08023	2.8
136.06256	0.9
136.07561	1.8
137.09581	3.5
138.02206	2.9
140.04503	1.2
145.04967	1.6
146.08107	0.9
149.09613	100.0
149.13200	2.0
150.06638	2.6
151.11162	2.7
152.07062	0.9
152.08188	3.4
157.09708	1.3
158.05617	3.6
159.02917	1.4
164.08173	7.5
165.12720	2.1
166.08781	1.0
173.13251	1.8
182.09262	1.2
185.09221	1.5
191.14294	11.7
201.09044	1.5
209.15347	22.7
209.85333	1.0
210.04303	1.5
210.08749	13.9
228.09772	2.1
229.15442	6.2
231.04991	1.0
255.11026	1.0
273.11945	7.0
279.19315	0.9
387.29315	0.9
416.82443	0.9
421.20770	0.9
439.15616	1.4
439.21722	4.0
440.22787	2.2
457.20609	59.8
458.20883	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16729	2.6
59.47533	3.2
68.80601	3.0
70.06583	10.6
70.78964	10.7
72.08157	4.2
73.72418	3.0
102.72915	2.7
105.42638	2.9
114.89359	8.5
179.71518	3.1
180.49681	3.1
182.14456	3.1
208.97322	5.1
218.48509	3.6
457.15179	100.0
458.15350	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	456.272
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03554	0.3
54.46360	0.2
55.05500	0.8
56.05025	0.7
57.03423	0.5
58.06598	0.5
60.08163	6.1
66.78329	0.3
67.05486	0.5
69.07058	1.0
69.48650	2.3
70.06586	1.3
71.07365	2.7
72.08160	0.4
72.33732	0.3
79.05508	0.5
81.07050	1.0
83.08617	0.5
84.08124	0.5
86.09704	30.3
87.10043	0.4
91.05438	0.4
93.07034	0.6
95.08598	0.7
97.10162	0.5
98.98461	3.3
104.10756	3.8
105.07019	0.4
105.59087	0.3
107.04942	0.5
107.08578	0.5
119.81326	0.3
120.08110	0.5
120.50761	0.3
121.10133	0.5
125.00002	21.4
143.01068	0.5
171.45334	0.3
184.07338	100.0
185.07660	1.1
186.07701	0.3
186.38052	0.3
258.10953	0.3
310.32501	0.3
315.21686	0.8
320.52527	0.3
438.25940	1.0
456.27222	2.9
457.23126	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.7
56.05025	1.2
57.03441	0.5
58.06618	0.9
60.08163	16.8
67.05493	1.0
69.07069	3.2
69.61789	2.0
70.06590	1.7
71.07375	6.1
72.08158	0.4
79.05479	0.7
81.07058	1.3
83.08617	2.1
86.09705	49.5
87.10040	0.7
91.05477	0.7
93.07047	1.0
93.43180	0.3
95.08601	1.5
97.06544	0.8
97.10164	1.1
98.20754	0.7
98.98466	4.5
104.10744	100.0
105.07001	0.3
105.11092	0.8
107.04948	0.7
107.08598	1.1
121.10180	0.5
125.00007	28.1
126.00491	0.4
143.01028	0.6
163.01500	0.4
163.14795	0.5
184.07339	90.2
185.07648	0.7
220.74405	0.4
258.11090	1.4
273.20660	0.7
375.81592	0.4
421.96259	0.3
438.26178	9.1
456.27222	25.4
457.27679	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
53.75209	0.9
55.01873	2.1
55.05492	3.2
56.96557	2.4
57.03414	1.7
57.07076	15.0
60.94926	1.1
61.02921	5.5
67.05505	6.1
69.03432	7.7
69.07066	56.8
70.04073	1.4
70.06588	7.0
70.07844	2.5
70.47754	1.1
71.00017	2.9
71.04998	1.4
72.08134	2.7
73.02913	2.0
74.06072	2.3
79.05490	4.1
79.29555	1.0
81.03416	7.1
81.07056	6.5
82.03755	1.3
82.55577	1.0
84.04507	1.4
84.08128	2.6
85.02898	17.7
86.06132	1.3
86.09714	2.9
87.04454	1.3
91.03950	2.9
91.05464	3.9
93.07048	3.4
95.04984	3.2
95.06093	1.6
95.08601	3.7
97.02892	6.6
97.06529	2.6
98.97593	1.2
101.02379	1.0
105.07053	1.3
107.04961	9.7
107.08603	1.1
109.02873	3.3
109.06483	1.4
109.10124	1.9
110.03558	1.3
115.07567	18.4
119.08574	2.5
120.08089	1.9
121.06474	2.8
126.99477	3.4
127.03893	3.5
129.01036	6.4
132.50362	1.1
133.10109	2.2
141.00998	12.2
145.04932	2.2
155.02612	3.6
156.83926	1.1
161.09570	1.2
175.07552	1.0
176.92729	1.1
196.02725	1.6
196.15967	1.0
197.07291	37.3
211.23389	1.1
225.06764	3.0
243.08937	1.4
261.10016	1.2
267.08978	1.6
269.10522	2.5
285.10071	3.2
287.11520	1.3
293.97733	1.8
294.10016	100.0
295.10349	1.8
406.24030	1.5
420.19217	1.2
431.15689	1.3
456.28467	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3516
Annotation	Kuguacin J
Peak:m/z	Relative Intensity
52.58965	2.3
53.03929	6.4
53.85493	2.2
55.01863	4.4
55.05505	29.6
57.07071	13.5
59.35221	2.5
60.89260	2.5
67.05499	40.6
69.07065	29.4
69.57494	18.3
70.04076	69.3
71.04981	10.4
71.08603	8.1
71.97441	2.4
79.05061	2.7
79.05492	34.2
81.07048	63.6
83.04976	5.9
83.08599	18.6
85.10179	6.0
91.05478	33.2
93.07037	72.8
95.04961	8.3
95.08604	100.0
97.06541	3.6
97.10178	14.4
99.28142	3.0
105.07023	60.4
107.08592	76.7
109.02814	2.5
109.06515	4.1
109.10150	59.5
111.08065	7.7
113.09638	4.3
117.07034	13.8
119.08575	67.5
121.06514	4.8
121.10140	54.2
123.08042	8.6
123.11657	14.7
125.09617	15.1
127.11150	7.6
129.06993	5.6
130.07753	2.8
131.08557	34.4
133.10138	54.5
135.08049	8.6
135.11687	36.1
137.13217	4.8
139.07573	4.2
139.11205	3.4
141.00996	2.4
143.08530	13.8
145.10114	34.7
147.07999	7.0
147.11674	41.6
149.09563	5.0
149.13252	15.0
153.09140	7.6
155.08563	3.1
157.10133	16.5
158.97601	2.8
159.08025	4.9
159.11685	37.7
161.09599	10.2
161.13272	29.4
161.65575	2.5
163.11180	7.8
163.14784	8.2
167.10651	6.3
169.10104	4.3
171.11682	11.5
173.09599	2.9
173.13268	24.1
175.11217	12.0
175.14839	17.7
177.12717	2.7
177.16324	2.6
179.10670	4.5
181.12242	11.3
183.11687	6.3
185.13269	10.8
187.14798	16.8
189.12672	4.2
189.16348	11.9
191.14211	3.5
193.12239	4.0
193.15871	4.8
195.11781	3.4
195.13826	7.7
197.13234	4.6
199.14830	12.6
200.95006	3.0
201.12811	4.3
201.16370	23.4
203.14278	8.0
203.17938	5.2
205.15865	3.5
207.13808	4.2
209.13443	2.8
209.15381	9.3
213.16325	10.9
215.17905	9.2
217.15889	8.1
217.19502	3.3
219.13875	5.2
219.17406	10.3
221.15372	15.5
223.05234	3.4
223.16826	2.9
227.17860	6.1
231.17377	5.4
233.15341	3.7
233.19028	8.0
235.16924	9.7
237.16345	2.9
239.17892	3.4
239.23732	3.9
241.19583	3.3
243.17462	6.0
247.16940	4.6
249.18613	7.1
257.01276	4.1
259.00974	4.0
275.20233	3.7
302.95627	6.1
327.23059	5.1
327.26758	2.6
329.24860	14.8
331.26019	4.0
369.27988	4.5
409.34775	2.8
419.33121	16.1
434.43842	2.9
437.34204	48.9
454.83633	5.1
455.35138	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3153
Annotation	Ilekudinol A
Peak:m/z	Relative Intensity
53.03944	5.2
55.05307	2.2
55.05511	26.5
56.96556	2.6
57.07084	11.8
59.04984	7.8
67.05498	44.3
69.07059	28.2
69.45799	5.2
69.46205	15.5
70.06563	2.5
71.04997	2.9
71.08624	6.6
75.52109	2.5
78.02223	2.2
79.05150	2.4
79.05494	26.5
81.07057	81.3
83.04971	4.1
83.08619	15.9
85.10174	5.0
91.05468	24.1
93.07043	42.9
95.04952	8.3
95.08600	100.0
97.06504	6.4
97.10191	12.0
105.07019	26.9
107.04945	7.6
107.08588	38.8
109.06526	8.7
109.10151	38.5
111.08070	6.7
111.11698	3.5
117.07020	8.3
119.08572	22.7
121.06519	15.6
121.10126	19.0
123.08032	4.7
123.11695	9.6
124.33262	2.9
125.09626	5.9
128.06207	5.9
129.07002	4.9
131.08585	15.6
133.06433	6.5
133.10147	18.4
135.08041	19.4
135.11681	9.8
137.05945	3.5
137.09529	2.7
137.13254	39.0
143.08601	13.3
145.06487	5.1
145.10100	20.1
147.08037	13.8
147.11646	13.2
149.09615	5.6
149.13269	5.3
151.11180	4.6
151.14703	2.9
155.08534	7.2
157.06487	5.1
157.10146	14.4
159.08069	25.5
159.11691	10.4
161.05946	3.5
161.09596	12.5
161.13287	3.3
163.11179	3.5
163.14766	5.4
165.12791	4.2
167.08566	3.3
169.10123	8.6
171.08060	8.0
171.11668	7.8
173.05966	5.3
173.09607	19.0
173.13185	13.8
175.07570	4.7
175.11163	6.4
177.09102	3.7
177.16493	4.5
179.08571	3.9
181.10097	7.2
183.11612	6.1
185.09599	9.6
185.13214	7.1
187.07497	5.5
187.11153	10.0
187.14856	4.8
189.09103	9.0
191.14291	3.3
193.08588	2.7
193.10165	3.6
195.11653	8.1
197.09572	4.2
197.13261	10.5
199.11130	11.4
199.14844	4.9
201.12747	13.0
201.16544	3.1
203.10710	4.6
203.14395	2.8
207.11618	3.1
209.13205	9.4
211.11200	4.4
211.14847	5.8
213.09184	3.1
213.12778	5.8
215.14505	5.1
221.13280	4.3
223.11128	7.2
223.14761	5.7
224.15457	3.1
225.12688	6.1
227.14233	5.2
229.15791	4.7
233.15337	5.1
237.12607	3.1
237.16418	6.1
238.13321	3.3
245.15349	5.9
253.40295	2.6
255.13785	10.4
255.17548	4.3
257.15442	3.2
259.16901	8.5
265.15970	5.5
265.19504	3.2
267.17599	4.0
273.14880	26.0
273.18008	3.5
281.15372	3.4
283.16888	9.1
283.20041	3.5
285.18475	3.5
289.14090	3.1
291.14938	2.6
299.16440	13.7
300.17099	3.1
301.18015	29.1
307.20596	3.2
311.20087	9.5
317.17517	9.4
325.21637	7.3
327.19669	3.9
329.21045	5.4
335.19971	3.4
341.20959	4.4
353.21078	9.3
363.23001	5.2
371.22021	3.4
397.27338	3.4
401.28143	2.9
409.31061	4.6
419.29440	27.0
437.30499	57.3
438.30792	5.7
455.31604	78.1
456.31699	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	455.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.1
55.05510	4.1
56.05030	0.9
56.05846	0.9
57.03437	0.4
57.07063	0.3
58.06625	0.5
59.07390	0.2
60.08162	8.3
60.74106	0.1
61.07870	0.2
61.08501	1.2
61.08786	0.2
67.05501	0.9
68.05841	0.2
69.03436	0.1
69.07062	0.6
70.06593	1.8
70.07397	0.2
71.04984	0.2
71.07372	3.7
71.58683	0.1
71.59087	0.1
72.07706	0.7
72.08153	0.3
74.37352	0.1
74.81219	0.1
79.05485	0.5
81.03412	0.1
81.07059	1.2
82.06581	0.9
82.07384	0.3
83.04984	0.6
83.06927	0.2
83.08141	0.1
83.08621	2.3
84.04501	0.2
84.05327	0.1
84.08141	0.8
84.08936	0.7
85.02911	0.1
85.06536	0.2
85.08492	0.1
86.09703	34.5
87.09454	0.6
87.10031	10.6
91.05476	0.5
92.05815	0.1
93.07043	0.5
94.07367	0.2
95.04964	0.2
95.08605	1.0
96.08937	0.4
97.06525	0.3
98.09678	0.3
98.98463	4.5
99.10014	0.2
100.07614	0.9
100.11255	10.0
100.59640	0.1
101.07941	0.3
101.10965	0.2
101.11580	3.3
102.11929	0.3
104.10042	0.2
104.10741	3.4
105.07036	0.3
105.10438	0.1
105.11076	1.0
107.04960	0.3
107.08566	0.3
109.10136	0.2
110.06038	0.4
110.07194	0.2
111.04441	1.3
111.06353	0.2
111.08105	0.1
112.04783	0.5
112.07587	0.4
113.07925	0.1
116.99525	0.2
117.13868	0.2
119.08546	0.3
120.08107	0.2
120.08897	0.1
125.00000	28.3
126.00339	3.2
126.09129	0.2
127.00441	0.2
127.08672	0.2
128.06221	0.1
128.07088	1.1
128.69630	0.1
129.05446	0.1
129.07396	0.3
129.10245	0.2
130.07504	0.1
133.10091	0.2
135.11665	0.1
137.13237	0.1
139.08650	0.4
140.07056	0.4
141.11485	0.2
141.61673	0.1
143.01057	0.8
155.01122	0.1
161.13277	0.1
164.14424	0.2
164.64632	0.1
165.14789	0.1
166.02643	0.2
172.95090	0.1
182.15421	2.8
183.15776	2.2
184.07335	100.0
185.07686	33.5
186.07767	1.3
199.18016	0.2
200.18358	0.2
201.91051	0.1
209.16470	1.4
210.14862	3.0
210.16823	1.1
211.15231	2.4
211.17107	0.3
212.15471	1.0
213.15813	0.1
213.17821	0.2
213.67896	0.2
214.18150	0.3
216.28381	0.1
226.19139	0.5
227.13884	0.1
227.17513	0.5
227.19379	0.2
227.67722	0.2
228.15869	0.1
228.17805	0.5
228.67863	0.2
229.18179	0.1
230.16435	0.1
232.62563	0.1
258.11307	0.2
259.11401	0.2
271.18985	0.4
272.19247	0.2
276.72729	0.2
277.22937	0.6
277.73099	0.8
278.23236	0.4
326.27905	0.2
327.28137	0.2
328.28607	0.1
332.25430	0.2
332.75766	0.3
337.23209	0.1
338.21552	0.1
340.76752	0.1
341.26413	0.5
341.76273	0.5
342.26389	0.1
343.30634	0.5
344.31030	0.7
345.31070	0.3
346.31616	0.1
381.81122	0.1
382.30951	0.1
390.31482	0.2
390.81314	0.6
391.31540	1.4
391.81616	0.4
436.33466	0.1
436.83624	0.3
437.24991	1.1
445.84280	1.1
446.34158	0.3
452.36282	0.1
453.35950	0.3
454.35718	0.4
454.77963	0.2
454.84650	1.1
455.26166	2.6
455.32272	0.2
455.35483	0.3
456.26471	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	455.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.2
55.05508	14.9
57.03436	12.3
59.77696	1.1
65.03930	2.7
67.05505	51.1
69.07069	14.5
69.94978	2.8
69.95370	2.5
71.04977	1.3
79.05064	2.0
79.05496	27.8
81.06582	2.2
81.07060	43.0
83.08611	6.5
91.05476	10.3
93.07049	30.3
95.04961	2.6
95.08607	35.1
97.06564	1.6
97.10152	1.5
98.21523	1.1
105.07037	8.0
107.08577	11.6
109.06554	1.8
109.10151	13.4
117.07066	2.0
119.08567	7.6
120.96638	70.2
121.10146	10.5
129.20384	1.4
131.08563	3.9
133.10135	3.9
135.11711	4.1
138.97701	1.7
145.10147	2.5
147.11658	1.8
149.13258	1.5
154.94220	1.5
156.97523	5.9
159.11682	2.6
172.95215	5.7
174.98541	18.1
175.14772	1.2
190.96210	6.1
195.00389	6.8
197.13210	1.2
204.47330	1.3
213.00070	12.6
228.97813	2.6
231.01224	1.7
301.20209	3.4
319.21280	4.2
335.25800	100.0
336.26227	3.3
357.24026	32.4
375.25159	1.3
399.17813	1.8
437.19925	3.4
437.30261	1.4
455.21429	44.1
456.22055	2.3
473.19656	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	455.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.0
56.05026	0.5
56.96541	0.6
59.74967	0.4
67.05480	0.8
69.03395	0.7
69.07052	0.7
70.06583	2.5
71.04964	0.5
72.08135	0.6
79.05472	1.1
79.42385	0.3
81.03417	0.8
81.07025	0.5
83.08594	0.4
84.08132	1.0
84.60931	0.4
85.02886	0.7
86.09697	2.2
87.04453	0.5
91.05449	0.9
91.33032	0.3
92.59026	0.3
93.07021	0.6
95.06075	0.6
97.02901	0.9
98.20694	0.6
98.97582	0.4
99.83928	0.4
100.11230	0.7
107.04948	4.3
110.06020	0.4
110.07128	0.4
113.03472	2.1
120.08097	0.3
121.06477	0.4
123.04402	0.5
128.07079	0.6
137.05980	0.4
203.05138	0.5
210.14908	0.5
216.04109	0.4
229.33778	0.4
275.09225	0.4
275.16052	0.8
293.17181	5.3
317.33182	0.4
335.11884	0.5
367.17154	1.3
369.15256	1.4
373.24823	0.4
375.30624	0.4
385.18280	7.4
414.06943	0.7
437.21155	0.8
455.22501	100.0
456.22943	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	455.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.8
56.15177	0.8
56.96558	4.5
58.22680	0.6
60.04542	1.5
64.06627	0.8
65.70705	0.8
67.05501	6.8
68.05050	1.2
68.89603	0.8
69.03440	2.0
69.07077	1.9
70.02959	1.0
70.06589	100.0
71.04986	4.3
71.06934	2.2
71.59440	1.1
71.59863	0.8
72.08154	5.9
79.05484	1.2
81.03402	1.3
81.07060	1.6
84.04517	1.6
84.08150	2.6
84.96040	1.6
85.02888	1.9
86.09712	2.5
88.03993	7.8
91.05479	8.8
93.07065	3.0
95.04996	2.0
95.06091	5.8
95.08598	9.8
97.02886	1.2
97.07649	4.1
97.96831	0.8
98.02467	0.9
98.03535	17.7
98.06055	1.1
98.97573	8.9
99.04445	1.4
105.07058	1.5
107.04941	6.6
109.10165	4.4
110.07186	2.5
112.05104	1.0
112.08732	1.3
113.07170	2.4
115.97852	1.1
116.07088	24.6
116.98603	9.0
119.08613	2.8
122.07171	1.7
128.98624	1.8
129.10242	1.1
134.09618	1.1
134.99646	8.6
136.07701	1.1
136.08722	1.9
137.09639	2.9
140.04544	6.4
143.00171	1.5
144.98108	1.0
146.99599	2.0
149.01230	1.8
150.06627	14.0
152.05713	1.0
152.08179	24.2
153.00775	1.9
158.05591	20.1
158.06718	1.3
158.09290	1.7
158.99690	2.0
161.01257	3.3
162.99251	1.0
164.08189	49.5
166.09795	1.4
167.09373	2.2
168.07770	2.4
170.99663	1.1
173.01300	1.2
177.00769	4.1
177.02280	0.8
177.05486	1.0
180.07291	1.0
182.09279	5.5
185.01317	1.1
188.55096	0.9
189.00687	1.4
191.02385	0.9
192.07755	1.4
194.09401	1.4
195.01746	1.1
195.08846	2.2
196.07190	6.7
201.00816	1.5
207.03316	1.1
209.75076	0.9
210.08725	85.5
211.09129	1.9
212.10260	7.8
213.00792	1.1
213.09964	1.3
219.01903	3.2
225.04520	1.9
228.09760	10.8
228.11873	1.1
234.98912	0.8
237.02818	1.2
238.08235	1.5
255.10875	6.1
256.09213	6.3
273.11899	26.2
279.17267	1.8
327.07556	2.0
349.19043	1.4
351.07632	2.2
369.08588	11.1
389.12149	0.8
391.19690	3.8
409.21008	2.4
419.19217	18.8
419.24478	1.3
437.20267	34.0
455.21536	96.2
456.22122	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.01865	1.6
55.05502	3.2
56.04685	0.6
56.53905	0.6
56.96556	2.0
57.03421	1.6
57.07064	0.7
59.04978	0.9
60.13395	0.7
61.02917	1.6
67.05505	11.5
69.03418	2.0
69.07075	3.1
70.06585	1.8
70.36115	0.6
71.01332	0.6
71.04978	1.4
73.02898	1.0
79.05504	4.5
81.03409	3.6
81.07059	5.7
83.04986	1.0
83.08614	2.0
84.08154	0.8
84.90150	0.6
85.02911	3.5
85.06534	1.0
86.09692	0.8
91.03958	0.8
91.05480	4.5
93.07050	5.0
94.06592	0.6
95.04957	2.1
95.08616	4.2
96.08135	0.7
97.02888	2.1
97.06532	1.7
97.10153	1.4
98.21484	2.3
98.97585	0.8
105.07019	3.2
107.04958	5.8
107.08599	3.9
107.50397	0.6
108.08094	1.2
109.06525	0.9
109.10158	8.1
110.09673	1.0
111.04458	1.3
111.08073	0.8
116.06316	0.6
116.98605	1.4
117.06956	0.9
119.01908	1.4
119.08569	2.4
120.08104	1.4
121.06484	1.3
121.10125	2.7
123.11674	1.4
123.95116	0.7
125.09580	0.9
127.03901	0.9
131.08588	1.8
133.10117	1.5
134.99617	0.6
135.07944	0.7
135.11694	2.0
137.13205	0.7
138.09154	1.5
143.01894	0.7
145.10010	0.6
145.90886	0.7
146.06018	1.0
147.11684	1.4
149.09566	0.7
149.13350	0.6
158.09686	2.4
158.99619	0.7
161.02928	1.2
163.11179	1.1
166.08636	2.7
167.02295	0.7
168.08051	1.9
173.02908	1.0
173.11780	1.7
177.00859	0.7
191.10637	1.3
193.12215	0.8
196.72433	0.7
207.13641	1.5
209.11696	1.9
214.08670	0.8
221.04988	1.3
227.05266	1.2
229.14359	0.9
229.58334	0.9
237.02916	0.9
249.13353	0.7
258.11307	0.9
267.09143	0.8
271.04123	0.9
283.15390	1.1
285.10101	1.8
289.05157	0.6
290.13852	1.0
351.09531	0.8
351.16895	1.8
369.18817	9.2
387.18594	1.1
393.18674	2.4
411.19897	46.5
412.20261	1.0
437.17902	6.4
437.25504	1.3
455.18890	100.0
455.25827	7.8
456.19122	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	455.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.5
58.99576	1.1
59.82958	1.0
61.01161	1.1
69.62025	7.5
70.06586	3.9
71.06114	12.4
72.04522	2.9
72.08156	1.1
73.02863	1.0
74.00660	4.2
76.02219	3.9
76.04021	1.1
77.00627	14.4
78.03792	4.7
84.04493	4.2
84.08137	1.4
85.04019	11.1
85.06523	1.5
86.06066	2.9
86.09715	1.6
92.01684	3.8
92.98308	1.2
98.21468	2.3
98.97566	3.0
99.05579	1.6
102.03761	6.6
107.04956	6.5
107.99413	1.0
110.00983	2.4
110.07146	2.3
113.03499	4.3
114.03764	1.5
116.01663	1.1
116.98615	2.0
118.03239	35.7
120.04783	3.1
120.08124	2.3
121.06504	2.2
129.06575	1.4
130.03232	8.8
130.04970	6.1
130.08597	1.3
131.04526	17.8
131.06361	3.3
132.04825	4.8
134.00943	1.4
134.99699	1.4
142.08647	4.6
146.99500	1.1
147.05861	67.4
149.07436	24.2
155.04494	2.2
156.07669	1.7
159.05894	1.9
176.01993	1.4
177.00749	3.0
177.03285	25.0
179.04816	1.5
181.04678	4.7
184.09653	2.5
194.95926	1.0
195.01846	3.1
205.04628	1.6
209.00558	6.1
222.07333	1.6
254.06364	3.4
293.01831	1.5
296.07312	2.1
300.88217	1.2
307.08902	2.4
308.00241	1.2
308.07364	4.3
325.09976	100.0
326.10242	1.7
437.15265	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	455.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45406	0.6
56.05057	0.7
57.03411	1.1
60.04521	0.9
62.29797	0.7
67.05488	2.2
69.03415	2.4
69.07056	0.8
69.89449	4.3
70.06592	12.5
70.69894	0.7
72.08141	1.4
74.06049	0.6
77.03934	1.2
81.03389	1.4
83.06087	1.2
84.04491	1.3
84.08138	1.4
85.02905	4.5
86.09695	2.8
88.83829	0.7
91.05501	1.2
95.04992	1.4
95.06129	0.8
95.08588	1.1
97.02885	1.5
98.03528	1.6
98.21426	0.8
105.03368	1.8
107.04948	6.0
108.05305	0.8
109.02906	0.9
110.07175	1.4
114.93494	0.8
115.10043	0.6
116.07104	3.6
120.08099	2.4
123.04427	100.0
124.04762	1.0
127.03948	0.8
129.10214	1.0
135.50159	0.7
145.02603	23.0
145.04941	1.0
150.06590	2.0
152.08223	1.4
153.05290	1.1
158.05591	1.7
164.08226	3.1
171.06285	34.6
176.08125	1.2
181.03590	1.2
185.04218	50.7
190.05389	0.8
199.04514	0.8
203.05421	0.9
204.07674	19.0
210.08734	6.2
228.09831	1.1
232.11826	0.8
234.15120	1.0
273.11969	1.2
293.09073	1.1
307.07886	23.7
325.09000	1.9
329.48557	0.7
333.11591	2.6
349.62228	0.8
366.13162	1.3
419.19748	1.6
437.20303	4.3
455.15329	49.5
455.21417	10.9
456.15570	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
68.72716	0.3
69.47295	1.7
69.47706	0.7
70.06596	2.3
79.05476	0.6
84.04475	0.3
84.08134	0.5
85.02897	0.9
86.09698	0.5
91.05463	0.6
94.04175	2.9
95.75781	0.3
98.21489	0.5
98.97570	0.3
102.03767	0.6
103.03926	0.4
107.04955	1.6
109.90667	0.3
110.07157	0.8
115.29707	0.3
116.07081	0.3
116.98612	0.4
120.08148	0.4
122.03647	7.4
126.05507	0.6
132.20569	0.3
137.05971	100.0
138.06293	1.5
139.03690	0.4
149.07433	1.0
157.04720	25.8
159.04169	32.8
160.04521	0.6
177.05223	0.6
180.06538	0.3
185.04216	5.6
194.54565	0.3
195.05096	0.7
203.05304	0.9
224.08382	0.3
234.99065	0.4
240.03110	1.2
255.05374	0.6
269.03278	0.7
273.06381	0.3
277.57593	0.3
288.12463	0.4
293.11835	2.0
319.09979	7.6
338.20831	0.3
339.10471	3.8
393.15231	1.0
437.08789	0.4
455.15317	24.7
456.15787	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27184	1.2
68.05013	2.5
70.30544	4.5
71.68771	1.3
73.54836	1.4
86.06072	5.4
86.71252	1.4
94.93008	1.9
97.35337	2.1
99.16726	1.4
112.89592	12.5
114.05528	1.6
126.28519	1.5
167.47658	1.3
173.02925	2.9
189.02687	1.4
203.05750	1.5
229.11894	5.5
245.05017	1.7
286.62900	1.3
321.10443	2.8
378.53632	1.4
419.48434	1.5
455.11655	100.0
456.11954	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	455.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82128	2.8
56.05022	2.4
56.96561	5.6
57.44977	2.1
67.05516	4.8
69.03413	4.5
70.06588	59.1
71.59496	3.2
72.08144	6.3
79.05488	3.3
83.06105	6.1
84.04494	5.4
84.08144	7.4
85.07660	24.8
86.09714	8.3
88.03978	6.8
89.06033	8.8
89.77648	2.5
91.05482	5.7
95.03162	2.3
95.06116	5.0
95.08563	3.4
98.03536	7.0
98.97586	8.3
102.96940	2.3
107.04953	43.6
110.07175	11.7
116.07103	9.4
116.98611	8.2
119.08540	2.6
121.06523	2.8
123.04415	6.8
124.78129	2.1
128.98607	4.7
129.10255	5.8
130.06593	2.6
133.08598	4.4
134.99597	4.2
140.04639	2.1
146.99649	8.9
147.04355	2.4
148.07579	3.2
150.06633	5.5
152.07060	3.0
152.08195	6.5
158.05650	7.1
161.01222	4.7
162.99184	2.5
164.08197	22.8
171.06328	5.1
177.11282	3.3
177.29254	2.2
185.04225	4.8
187.03690	5.2
193.00221	3.0
210.08748	34.6
214.12228	2.2
219.01808	8.6
237.02763	26.1
243.10962	3.2
255.04015	2.5
260.82932	2.3
267.90479	2.5
273.11990	10.3
295.03397	4.1
325.05908	4.8
349.08426	2.3
371.22397	3.1
383.06567	3.2
409.11844	7.6
419.19257	6.8
437.20416	9.0
438.69684	2.7
455.13251	100.0
455.21353	38.6
455.29257	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	454.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.6
57.06827	2.5
57.07076	35.9
62.06090	10.6
65.01752	1.6
67.05495	3.5
69.07058	5.2
71.08632	30.7
71.58994	2.5
73.06552	5.4
79.05467	1.8
81.07039	4.9
83.08605	6.2
84.92605	1.6
85.10181	24.0
87.04482	3.7
89.06029	100.0
89.56936	1.7
92.70998	1.9
93.07047	2.3
95.08575	4.7
96.29809	1.6
97.10188	4.5
99.11703	4.7
101.26875	1.7
101.60503	1.9
105.07066	1.8
107.07053	6.6
109.10122	2.0
117.09129	3.6
123.11718	2.4
130.08598	3.5
133.08598	51.4
137.13208	2.1
148.75673	1.7
149.54909	1.7
155.01057	3.5
155.17920	3.4
167.20544	1.5
170.80956	1.4
177.11214	19.4
187.11131	2.2
195.12318	2.1
199.20453	3.4
239.14905	3.7
243.23195	6.7
282.27820	3.3
283.17578	17.0
287.25928	4.8
313.27338	56.8
314.27490	3.4
315.16119	2.2
393.23743	2.3
408.98785	1.7
416.60132	2.1
436.28430	2.0
437.34814	15.6
454.34598	2.8
455.35754	11.9
473.19666	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	454.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.3
57.03432	4.8
57.07075	25.0
59.58850	3.6
61.02314	3.8
62.06087	17.6
66.60703	4.4
67.05501	4.8
67.83368	3.6
69.07080	5.1
69.47179	28.8
71.08632	12.8
72.75766	4.2
76.95724	4.0
79.71722	3.6
81.07071	7.5
83.08614	7.5
85.10212	4.4
95.08595	15.6
98.98477	8.6
100.11249	5.6
109.10191	5.6
118.11156	3.8
120.40588	3.6
161.78131	4.1
169.54282	4.2
217.34714	3.4
234.84886	4.6
282.27884	15.0
313.27396	100.0
444.00525	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	454.2926
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
57.03444	4.6
57.06866	2.1
57.07079	23.1
62.06085	26.7
63.13892	2.1
67.05495	3.9
69.07064	2.2
70.10726	11.7
71.08640	14.9
75.18248	2.2
79.40122	2.5
81.07066	4.5
83.08613	4.8
85.10197	8.5
88.35824	2.0
89.48824	1.9
95.08616	7.6
98.98467	8.5
109.10181	4.7
123.11707	3.3
155.01044	7.7
282.27985	12.0
313.27362	100.0
314.27756	5.4
393.24078	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.8
57.03194	0.5
57.03437	8.2
57.07072	23.9
60.29427	0.4
67.05499	5.1
68.68324	0.4
69.07069	5.5
70.04060	1.2
70.69885	1.4
71.08626	16.6
71.70610	0.4
75.04432	0.5
78.78179	0.5
79.05473	1.2
81.07042	8.0
83.08607	5.1
85.10172	9.4
89.06049	2.5
89.34067	0.5
91.05429	0.6
93.07042	1.1
95.08597	9.0
97.06507	0.5
97.10148	3.2
99.11712	0.8
103.07609	1.0
105.07011	0.9
107.04934	0.7
107.08571	0.8
109.10134	5.3
111.11721	0.7
123.11703	1.5
135.11641	0.7
137.13258	0.8
144.26434	0.5
164.10796	1.2
169.28903	0.4
216.06244	0.6
239.23669	1.8
244.69365	0.5
250.29085	0.4
251.69310	0.4
257.24750	2.1
282.27835	3.0
313.27335	100.0
314.27676	4.0
355.33472	0.5
398.07660	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18981	1.4
55.01857	1.7
55.05501	1.8
59.90070	1.3
63.23986	1.2
64.33044	1.3
67.05490	3.0
69.07059	3.0
69.45419	2.0
69.45816	9.4
79.05489	1.8
81.07041	3.6
91.05453	2.3
93.07029	1.9
95.04960	2.6
95.08610	3.0
105.07034	5.0
107.04962	8.7
107.08595	2.1
109.10165	2.5
112.89336	1.4
121.06522	1.3
123.08122	1.5
125.00091	1.4
131.04915	4.3
133.06502	8.4
135.11732	2.3
144.05754	1.9
149.05949	5.2
153.05505	1.7
153.12663	1.8
161.05978	1.6
167.08586	2.4
177.07031	2.1
178.07790	2.7
179.08505	7.0
181.06451	6.3
182.07214	1.7
184.07352	1.5
189.06927	2.2
194.07297	2.5
195.08083	8.5
196.08794	4.1
197.09618	3.7
205.06480	2.5
206.07318	1.8
207.08054	17.7
208.09775	15.4
223.07510	7.2
224.08272	7.6
225.09077	1.9
235.07593	6.3
236.08310	1.5
237.09056	3.9
239.10704	2.8
249.09018	3.1
252.07719	2.5
255.10135	29.6
256.10495	1.5
267.10172	100.0
268.10541	4.3
277.77982	1.3
285.11224	33.2
352.09695	1.4
359.43344	1.3
454.25717	4.3
455.30792	1.5
478.74478	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.01867	1.2
55.05499	1.5
57.07064	1.0
60.08148	1.4
60.10696	1.0
61.31280	1.1
62.59582	0.9
66.70055	1.0
67.05499	1.9
67.97626	1.1
69.07071	2.4
70.12577	2.3
70.12971	2.3
74.58125	1.0
79.05501	3.0
81.07061	3.6
83.08615	1.7
84.62987	1.0
86.09711	4.1
90.37208	1.0
91.05476	3.7
93.07047	1.7
95.04988	2.5
95.08591	1.2
103.05475	2.1
103.72056	1.1
104.10753	4.8
105.07005	1.7
107.04958	37.5
107.32809	1.0
109.10147	1.8
117.48116	1.0
119.04910	1.2
119.08564	1.2
121.06503	3.8
122.03654	1.5
125.00029	2.6
131.04936	6.1
133.06516	1.8
133.10146	1.6
135.11732	1.6
137.05983	21.6
148.05287	1.4
149.05984	6.9
151.07581	1.1
158.49728	1.2
161.05988	16.7
163.07542	5.9
165.07043	2.5
167.08591	4.2
169.06520	1.3
170.07248	2.0
177.07025	3.8
178.07764	3.4
179.08545	5.9
181.06473	8.3
182.07277	1.5
182.15434	2.1
183.08157	1.6
184.07390	5.7
191.07066	2.6
194.07281	3.2
195.08052	14.7
196.08780	4.6
197.06007	1.5
198.06815	3.9
199.97835	1.4
205.06496	3.2
206.07269	2.2
207.08015	11.8
208.08739	2.3
209.06076	1.9
209.09625	2.1
210.06407	1.0
211.07562	1.7
212.08330	1.7
223.07555	10.4
224.08293	9.7
225.09018	2.2
226.06166	1.9
227.10754	1.1
234.06734	1.2
235.07585	4.5
237.09116	8.9
239.10683	2.6
240.07851	4.4
241.08601	10.2
249.09149	2.9
251.07028	1.4
252.07822	4.6
255.10173	40.6
256.10526	2.1
267.10165	58.0
268.10532	1.5
285.11218	100.0
286.11530	5.3
454.29099	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
53.30311	0.7
55.01861	0.9
55.05510	3.9
56.05031	4.8
56.96531	1.2
57.03416	1.7
59.04973	0.8
60.30447	0.7
65.03929	2.2
67.05503	11.3
69.06725	1.0
69.07067	15.8
70.06573	1.2
71.58884	1.3
79.05494	13.2
81.07051	11.1
83.04954	0.9
83.08585	2.5
84.04514	5.7
91.05478	5.3
92.04995	1.3
93.03391	1.3
93.06474	1.2
93.07044	17.9
95.04950	4.0
95.08601	6.1
97.06526	13.0
103.05444	3.1
105.04489	0.8
105.07014	2.4
106.06538	1.2
107.04948	17.1
107.08591	16.0
109.06454	1.3
109.10157	4.8
110.03640	3.0
110.73117	0.6
111.04422	1.7
111.08065	1.2
118.06519	3.7
119.04959	1.2
119.08574	0.9
120.04456	1.2
121.06497	0.9
122.06029	4.6
123.04395	1.5
124.07607	2.2
125.05968	5.4
130.06526	4.8
130.07326	0.9
131.04939	6.0
133.06462	0.7
133.10185	0.8
134.05986	1.1
135.11690	14.8
136.07578	5.6
137.04884	1.1
137.05971	14.7
140.42186	0.8
145.06392	0.9
146.05988	7.8
147.06783	1.6
148.07529	2.2
150.05498	2.1
152.07063	30.6
153.12752	3.5
158.05986	2.6
159.50432	0.6
162.09148	7.8
163.06268	1.0
163.07544	5.8
167.08498	0.8
172.95265	1.5
174.06743	0.7
175.06183	1.4
176.07088	4.2
177.07904	1.4
178.08736	7.4
179.07013	1.1
179.08580	1.5
180.10219	3.6
182.15346	0.8
184.07341	1.0
188.07068	0.8
190.08623	17.9
190.96251	2.0
191.08801	0.8
195.08092	3.1
207.08011	10.2
208.09689	100.0
209.10048	3.3
223.07495	6.4
224.08232	1.0
234.06657	0.9
235.07530	13.8
236.08212	2.0
252.07822	1.9
255.10178	7.3
255.97244	0.7
267.10168	25.2
268.10104	1.8
284.12790	14.2
285.11069	6.0
304.19083	2.0
342.20663	2.9
360.21597	1.9
454.25864	30.1
455.26282	2.6
472.18414	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.9
55.98626	0.7
56.05049	1.0
58.06593	1.6
58.56334	0.7
60.08163	19.1
67.05496	1.7
69.07066	1.1
70.06587	1.0
70.37656	3.1
71.07367	6.1
79.05492	1.5
81.07053	3.2
86.09705	50.0
87.10023	1.0
91.05479	1.2
93.07059	1.4
95.06093	0.9
95.08614	3.1
97.19230	0.7
98.98467	3.3
104.10744	93.3
105.06968	1.0
105.11102	1.0
107.04945	2.0
122.76250	0.8
125.00008	28.5
132.33549	0.7
134.26511	0.8
184.07341	100.0
185.07663	2.1
253.18105	1.0
258.11023	1.7
408.93030	0.9
436.24612	9.7
454.25644	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	454.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76880	0.6
55.05504	3.2
56.05030	0.7
57.03436	0.9
58.06600	1.4
60.08163	16.3
60.22823	0.5
65.03603	0.6
67.05505	3.2
69.07068	1.8
70.06578	2.1
70.63641	0.6
70.63977	1.7
71.07375	6.0
72.08160	1.1
79.05484	1.2
81.07048	3.5
83.08613	2.2
84.08148	0.7
86.09705	47.8
88.52136	0.6
91.05500	0.8
93.07018	1.6
93.60577	0.6
95.08614	3.7
97.06525	1.2
98.98476	3.0
100.11253	5.0
103.65546	0.6
104.10742	100.0
105.07084	0.7
105.11039	1.1
107.04939	0.8
109.00306	0.6
111.04440	1.0
119.08583	1.3
125.00004	27.2
128.07092	0.9
143.01068	1.0
155.35730	0.7
182.15408	2.6
184.07339	95.3
185.07729	0.8
209.16481	1.0
210.14909	3.2
253.18123	0.7
258.10995	1.1
269.17462	2.0
388.80270	0.7
436.24457	9.6
436.31622	2.7
454.19720	1.2
454.25485	21.3
454.32578	7.5
455.25797	2.2
472.59610	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2562
Annotation	PC(6:0/6:0)
Peak:m/z	Relative Intensity
55.05510	0.5
56.05040	0.3
57.03428	0.2
57.58881	0.1
58.06370	0.2
58.06626	0.4
59.07387	0.2
60.08162	6.5
67.05505	0.4
69.07071	0.2
70.06614	0.1
70.10080	0.7
71.04978	0.1
71.07374	3.3
79.05505	0.3
81.07049	0.8
83.08640	0.2
84.08134	0.2
86.09702	32.8
87.10020	0.3
93.07036	0.3
95.08613	0.7
97.06516	0.2
98.34841	0.2
98.98463	3.2
100.11272	0.3
104.10737	3.2
105.07024	0.3
109.10163	0.2
119.08583	0.2
124.99999	23.8
126.41784	0.1
143.01053	0.5
161.13234	0.2
179.14299	0.2
184.07333	100.0
185.07730	0.9
200.48407	0.1
258.10968	0.3
436.24799	1.1
440.52109	0.2
454.25610	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	454.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22188	0.4
53.03935	1.4
55.01861	0.7
55.05508	2.6
55.93518	1.2
56.96553	1.0
57.03436	0.6
60.08151	2.1
61.02924	1.0
65.94653	0.5
67.05502	2.0
68.05023	4.7
69.03413	0.6
69.07069	1.4
70.06598	1.3
71.07362	0.8
71.59525	0.5
71.59928	0.7
72.93774	0.7
73.02917	0.8
77.03960	0.6
79.05486	3.7
80.05006	12.7
81.03411	1.5
81.04545	2.0
81.07051	3.5
82.05323	0.6
82.06582	1.8
83.04947	0.5
83.06088	2.9
83.08614	1.4
84.04459	0.5
84.08153	0.9
85.02915	1.7
86.06070	0.5
86.09701	6.3
90.94815	0.8
91.03944	0.8
91.05476	2.6
93.07044	1.7
94.06562	9.3
95.04973	3.1
95.06084	46.7
95.08605	1.6
97.02854	0.9
97.06535	1.7
97.10165	0.6
98.97596	0.8
98.98505	0.5
100.11294	0.8
104.10740	9.9
105.07024	0.9
106.06546	0.8
107.04948	100.0
107.08588	1.8
108.05272	1.8
109.10115	1.2
110.06052	0.8
110.07128	0.7
112.08727	0.8
116.98614	0.9
118.06541	1.4
119.08539	1.0
120.08096	1.5
121.06497	0.5
121.07557	0.6
121.10147	0.6
125.00008	2.8
125.09684	0.6
127.03955	0.7
129.06989	1.2
130.06566	0.9
131.08592	0.8
132.08055	2.4
133.10150	0.7
134.09717	0.8
135.11707	0.5
136.06137	0.9
145.05002	0.5
145.07578	0.7
145.10065	0.8
146.06090	0.6
147.11662	0.5
157.10150	2.2
161.09465	0.7
162.10281	5.5
163.03928	0.6
172.08755	0.8
174.10258	26.2
174.12788	2.3
176.11841	0.6
176.14362	2.1
177.00737	0.9
184.07336	11.3
186.12758	6.6
188.05347	2.4
188.11829	2.1
192.13846	2.1
200.80685	0.5
204.13855	2.1
206.06293	0.9
210.14925	1.3
216.98305	0.5
222.14886	1.2
237.02144	1.0
255.03142	1.7
258.19653	1.4
259.09763	1.4
260.16437	2.0
268.18066	23.8
272.04556	1.4
273.04059	2.8
284.17538	1.1
286.19113	29.7
287.17490	0.9
302.18610	1.7
304.20166	80.4
305.20471	2.3
305.73849	0.5
316.20151	0.9
319.15662	1.1
348.19168	24.5
410.24371	31.4
411.24658	0.8
436.24377	0.9
439.19556	0.9
454.23242	16.6
454.34207	0.9
455.23392	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68668	0.4
55.05515	2.8
56.05044	2.3
56.96577	0.5
57.03444	0.6
58.06604	1.4
60.08165	12.1
65.03926	0.5
67.05506	3.5
69.07066	0.8
70.06596	8.3
71.07381	5.1
71.58981	0.6
71.59349	0.5
72.08168	2.5
73.87185	0.4
79.05489	1.3
81.07069	3.1
82.06613	0.5
83.08620	1.6
84.04509	2.4
84.08151	3.8
85.02890	0.5
85.06537	0.6
86.09708	48.9
91.05486	2.5
93.07056	1.2
95.08627	0.9
97.06516	0.5
98.98470	4.5
100.11261	7.7
101.11580	2.3
103.05437	0.6
104.10746	66.0
105.07041	2.0
105.11110	0.8
107.04948	1.8
107.08572	0.9
109.10170	1.8
110.07162	1.7
111.04436	0.7
118.86470	0.5
120.08064	2.9
125.00006	26.8
129.10258	2.3
133.10152	2.5
136.06183	5.8
136.07596	1.0
139.08640	0.8
143.00993	0.8
146.05983	0.5
146.57405	0.5
151.11203	1.1
182.15366	1.8
184.07344	100.0
209.16568	1.2
210.14827	1.6
210.16704	1.1
211.15192	0.9
221.11710	0.5
239.12871	0.5
253.14308	0.7
269.17554	1.2
271.15448	0.8
313.16547	1.1
426.40543	0.6
436.20724	4.2
436.25687	0.6
436.33603	1.3
453.35724	0.7
454.21933	12.0
454.34940	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	454.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44437	0.3
50.49382	0.3
52.28862	0.3
55.05509	0.5
55.87826	0.3
56.05033	0.9
57.03419	0.4
58.06609	0.5
60.07881	0.4
60.08165	5.8
67.05496	0.7
69.07072	0.4
70.06602	2.7
71.07372	2.8
71.58623	0.3
71.59010	0.6
72.08142	1.0
72.93777	0.3
74.34695	0.3
81.07042	0.6
84.04497	0.5
84.08142	1.2
84.36870	0.3
86.09709	32.1
87.10020	0.6
91.05499	0.7
93.07027	0.5
95.08580	0.3
98.98465	3.1
100.11259	0.4
104.10745	3.5
105.07032	0.7
107.04935	1.3
107.42313	0.3
109.10138	0.8
110.07176	0.7
116.99474	0.3
120.08066	0.8
125.00011	20.9
129.10243	1.0
133.10136	0.9
136.06175	2.4
136.07605	0.4
143.01021	0.7
150.07758	0.3
151.11185	0.3
162.07784	2.5
184.07347	100.0
185.07678	1.2
305.02567	0.9
356.62103	0.4
436.21039	0.6
454.22177	2.5
454.34436	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	6.1
56.96568	3.4
57.07077	28.4
67.05494	6.3
69.07066	86.5
70.04079	3.3
70.07824	3.8
71.59673	4.2
73.02912	2.6
79.05499	2.5
81.07060	6.0
89.06032	5.4
91.05471	6.9
93.07040	4.7
95.04944	3.6
95.08609	4.7
99.00044	2.6
107.04890	2.5
109.10140	2.7
115.07560	12.8
121.06473	2.6
124.44307	2.4
126.99477	6.4
129.01016	11.5
133.08615	2.5
133.10175	3.0
141.00955	16.4
155.01132	2.0
155.02611	5.5
158.97655	13.2
160.97325	13.8
197.07277	38.2
216.45459	2.4
229.01675	3.5
238.11874	7.0
260.71198	2.5
349.15952	5.3
365.59927	2.5
366.12128	100.0
367.12286	3.6
379.99472	3.6
398.00317	5.7
422.18396	10.8
454.33887	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	454.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	6.1
56.96568	3.4
57.07077	28.4
67.05494	6.3
69.07066	86.5
70.04079	3.3
70.07824	3.8
71.59673	4.2
73.02912	2.6
79.05499	2.5
81.07060	6.0
89.06032	5.4
91.05471	6.9
93.07040	4.7
95.04944	3.6
95.08609	4.7
99.00044	2.6
107.04890	2.5
109.10140	2.7
115.07560	12.8
121.06473	2.6
124.44307	2.4
126.99477	6.4
129.01016	11.5
133.08615	2.5
133.10175	3.0
141.00955	16.4
155.01132	2.0
155.02611	5.5
158.97655	13.2
160.97325	13.8
197.07277	38.2
216.45459	2.4
229.01675	3.5
238.11874	7.0
260.71198	2.5
349.15952	5.3
365.59927	2.5
366.12128	100.0
367.12286	3.6
379.99472	3.6
398.00317	5.7
422.18396	10.8
454.33887	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	453.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	31.0
64.88406	10.3
66.53855	11.1
66.93274	10.3
67.05497	53.5
69.03425	21.0
69.07071	37.4
69.74597	66.3
79.05484	28.6
81.07041	42.9
81.57800	12.6
83.08598	27.7
89.06024	43.0
90.06343	16.1
91.05486	24.5
93.07038	48.5
95.04949	21.2
95.08595	85.3
100.11272	16.2
105.07056	32.6
107.08583	54.3
109.06496	12.2
109.10166	61.6
109.34531	10.9
117.33775	10.1
119.08561	53.1
121.10137	50.7
123.08038	17.2
123.11713	22.8
125.09663	11.5
131.08546	34.6
133.08607	31.2
133.10121	23.1
135.08061	14.7
135.11661	21.1
137.09604	13.1
139.07538	12.4
143.08560	18.7
145.10121	35.0
147.11670	20.5
155.08522	15.6
157.10201	25.1
159.11729	31.3
161.13255	29.9
171.11646	20.5
173.13237	16.5
183.11671	21.1
185.13269	26.1
187.14857	14.9
197.13136	14.8
199.14867	22.0
201.12881	12.4
211.14853	16.0
213.16368	16.9
223.14809	20.0
225.16338	12.3
227.17915	20.6
239.14677	22.3
240.15289	33.2
241.16046	12.3
251.17915	11.3
283.20624	14.5
285.99991	11.9
309.22150	18.7
311.23785	27.7
313.25229	31.4
337.25195	18.9
363.26617	25.0
381.27856	54.3
435.32605	49.5
453.33890	100.0
454.33798	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	453.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10686	8.1
54.45625	7.2
55.05511	13.6
57.42712	8.1
62.26439	9.5
67.05502	23.2
69.03429	17.8
69.07046	13.1
70.03829	38.5
70.06302	7.4
70.06598	83.5
71.04978	44.8
71.29292	8.0
72.08147	18.6
79.05515	13.4
81.03395	19.0
81.07040	26.2
83.04976	12.0
84.04505	22.0
84.08131	29.8
85.02896	33.2
85.06549	10.2
86.06047	10.0
86.09713	50.7
90.52283	7.6
91.05487	11.8
93.07037	38.9
95.04947	23.2
95.06074	26.8
95.08588	23.4
97.02912	8.4
98.20780	10.6
100.11306	10.4
102.68858	8.3
105.07019	40.9
107.04947	100.0
107.08582	34.3
109.10158	28.1
110.07140	17.7
112.08733	10.0
119.08524	19.3
120.08082	20.9
121.10149	93.1
123.04433	8.3
125.09641	33.1
127.03876	10.9
127.11175	22.8
129.10202	21.4
130.04977	20.3
131.08521	8.4
131.37915	8.0
133.10138	89.9
135.11662	10.1
136.07552	16.3
141.10219	9.3
143.10684	71.5
144.11055	9.4
145.10136	9.6
147.11758	18.0
149.13304	11.3
150.07751	17.6
151.11151	11.2
152.05669	28.7
159.11655	13.1
189.16405	50.5
207.17520	10.6
219.17415	37.9
237.18504	30.4
253.17076	10.5
255.19513	30.5
273.20572	17.0
292.19000	15.3
308.31104	9.6
309.11688	19.9
324.22482	11.5
328.97638	11.0
374.97995	10.7
392.98801	10.0
409.17963	14.3
434.08725	9.0
445.69449	10.2
452.99414	22.7
453.17313	27.9
453.25571	21.0
454.23904	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2693
Annotation	Halisulfate 7
Peak:m/z	Relative Intensity
53.10686	8.1
54.45625	7.2
55.05511	13.6
57.42712	8.1
62.26439	9.5
67.05502	23.2
69.03429	17.8
69.07046	13.1
70.03829	38.5
70.06302	7.4
70.06598	83.5
71.04978	44.8
71.29292	8.0
72.08147	18.6
79.05515	13.4
81.03395	19.0
81.07040	26.2
83.04976	12.0
84.04505	22.0
84.08131	29.8
85.02896	33.2
85.06549	10.2
86.06047	10.0
86.09713	50.7
90.52283	7.6
91.05487	11.8
93.07037	38.9
95.04947	23.2
95.06074	26.8
95.08588	23.4
97.02912	8.4
98.20780	10.6
100.11306	10.4
102.68858	8.3
105.07019	40.9
107.04947	100.0
107.08582	34.3
109.10158	28.1
110.07140	17.7
112.08733	10.0
119.08524	19.3
120.08082	20.9
121.10149	93.1
123.04433	8.3
125.09641	33.1
127.03876	10.9
127.11175	22.8
129.10202	21.4
130.04977	20.3
131.08521	8.4
131.37915	8.0
133.10138	89.9
135.11662	10.1
136.07552	16.3
141.10219	9.3
143.10684	71.5
144.11055	9.4
145.10136	9.6
147.11758	18.0
149.13304	11.3
150.07751	17.6
151.11151	11.2
152.05669	28.7
159.11655	13.1
189.16405	50.5
207.17520	10.6
219.17415	37.9
237.18504	30.4
253.17076	10.5
255.19513	30.5
273.20572	17.0
292.19000	15.3
308.31104	9.6
309.11688	19.9
324.22482	11.5
328.97638	11.0
374.97995	10.7
392.98801	10.0
409.17963	14.3
434.08725	9.0
445.69449	10.2
452.99414	22.7
453.17313	27.9
453.25571	21.0
454.23904	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.9
56.96564	1.2
57.03431	1.0
59.04987	0.6
67.05504	0.8
69.03419	1.3
69.07057	0.7
69.66979	0.5
69.81647	3.9
70.06569	2.7
70.77673	0.6
72.08131	1.0
73.02878	1.0
74.45207	0.6
74.77466	0.6
77.00907	0.8
79.05462	1.5
81.03406	1.7
81.07032	1.1
83.04977	1.1
83.08582	1.6
84.04495	1.1
84.08154	1.0
84.08768	0.6
85.02875	1.5
86.09683	1.2
87.04462	3.2
89.06007	2.7
91.05455	1.5
93.07016	1.1
95.01922	1.2
95.04934	0.7
97.02868	0.7
97.06512	1.1
98.21428	1.3
98.97594	0.8
100.09914	0.6
100.11250	4.3
105.07014	3.5
107.04948	4.1
107.08542	1.5
108.05315	0.7
109.07432	0.6
116.98580	1.0
119.01904	4.6
119.08595	1.2
120.08046	0.9
121.06578	0.8
121.10118	0.7
133.06499	1.0
133.08591	1.2
137.02922	2.0
143.01915	1.1
143.03085	1.1
145.10083	1.0
147.05011	1.0
157.10234	0.7
161.02950	2.1
177.00616	0.8
182.15457	0.8
185.04239	1.4
203.05267	9.2
206.12979	0.7
209.16579	1.0
210.14777	0.9
211.13347	1.1
212.13779	0.7
221.04816	0.8
223.11765	1.0
243.08719	2.0
245.05118	0.8
247.11722	1.1
249.09738	1.5
255.51834	0.6
259.09836	1.1
263.06177	1.0
265.12872	1.2
267.10800	3.5
268.10721	5.1
291.12091	12.0
294.76376	0.7
309.11880	4.2
311.67361	0.9
330.02481	0.8
330.11014	0.7
333.11804	4.3
333.68851	1.0
351.12808	1.3
409.18170	5.3
435.33398	1.0
436.13510	0.8
453.17191	100.0
453.34024	3.0
454.18228	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	0.9
60.05669	0.6
60.16833	0.5
63.79186	0.6
67.49412	0.7
68.50495	0.6
69.03455	0.7
70.06575	1.3
71.17151	1.4
74.18414	0.6
77.00903	2.1
82.80905	0.6
82.99857	1.7
84.08116	0.7
85.02879	0.9
98.97582	1.4
101.00874	8.9
103.02448	0.9
107.04926	1.0
113.00869	1.4
116.98563	0.9
117.03951	0.9
119.01921	39.6
120.02003	1.4
121.03449	1.3
128.98558	0.7
129.03995	1.3
131.01904	10.3
133.03452	1.8
135.01392	5.2
137.02960	6.7
142.03465	0.7
143.01894	14.3
145.03459	6.6
147.01411	0.8
147.03897	1.4
147.05031	25.0
149.02940	2.7
153.02440	8.5
153.03966	3.2
155.01849	4.1
157.03474	1.6
159.01369	3.8
159.05031	2.0
161.02959	26.8
162.03123	1.0
163.02750	0.9
163.04510	1.5
165.06102	9.9
171.05025	100.0
172.05151	4.4
173.02966	9.3
173.06528	1.7
175.04568	1.6
177.02455	20.6
177.06055	0.8
178.02545	1.2
183.05101	4.7
185.03047	1.4
185.06567	0.9
185.39801	0.6
187.02931	0.7
187.04567	2.1
189.02559	4.9
189.06081	97.3
190.06255	4.5
191.04002	2.2
193.00253	1.3
193.01932	6.8
194.06604	0.8
195.03485	2.4
199.04568	0.7
199.08276	0.9
201.06096	15.6
202.06201	0.8
203.04027	8.2
205.03766	0.9
205.05550	12.9
207.03455	0.9
212.07648	2.8
213.06094	1.2
217.01901	2.2
217.05492	2.0
219.03578	5.8
219.07071	4.9
221.05045	9.1
229.05605	3.9
231.07137	41.4
232.07314	2.0
233.05141	3.8
235.02985	3.0
235.06670	1.7
239.06128	1.2
243.03551	0.9
243.07054	1.2
245.05043	2.0
245.08684	1.0
247.06653	11.0
249.04485	1.2
251.06155	1.7
257.05075	2.2
259.06622	5.2
261.04611	5.2
261.08209	14.4
269.08844	0.7
271.06537	1.1
273.08099	1.6
275.06128	8.5
277.04028	0.7
277.07608	1.8
279.05637	7.2
291.09213	10.5
292.09348	1.0
293.07123	1.5
301.07404	0.8
305.07196	1.8
309.10315	1.0
319.08685	5.9
333.10318	3.0
335.08197	1.5
337.06046	1.6
337.09784	6.6
369.31900	0.7
393.12503	0.7
395.10568	3.3
429.67001	0.7
453.10120	1.1
453.15668	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	453.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	2.3
58.99583	8.1
60.04515	1.9
68.05015	1.3
70.02942	0.8
70.06586	26.0
70.98461	2.1
72.08152	6.8
73.02898	1.7
74.00648	1.0
74.06074	1.9
76.02226	38.9
76.03995	2.0
78.04696	2.4
80.05011	0.9
83.06101	3.1
84.04504	14.4
84.08141	10.3
85.02895	2.1
85.07654	2.4
86.06067	0.9
86.09696	6.9
86.99057	4.1
87.05610	1.3
88.02198	1.6
88.03996	1.9
91.05479	5.2
95.06033	0.8
97.02865	1.3
98.06063	1.0
101.07157	1.1
102.05541	2.3
103.05449	1.7
106.04150	3.8
107.04961	6.6
109.95570	0.9
110.07175	5.4
112.08741	1.2
113.07150	0.9
114.05566	1.0
115.08695	1.3
116.01679	14.7
116.07104	1.0
119.04955	7.6
120.08097	25.9
121.08440	1.6
127.05003	1.4
129.06602	2.6
129.10236	5.6
130.05042	4.7
136.07561	2.2
137.05954	2.7
140.08150	1.2
141.06578	1.1
141.10265	0.8
142.03220	4.1
142.08611	1.9
144.01143	9.8
144.02209	1.2
146.06004	100.0
147.06451	1.4
152.83824	0.8
155.08069	0.8
156.07672	1.8
158.09277	1.2
160.07521	0.8
162.02199	43.9
170.02663	1.0
173.05638	0.9
175.11859	1.2
177.10252	9.1
179.04854	21.5
181.13583	0.9
184.07413	1.0
184.09631	1.0
186.12270	1.2
200.09363	2.5
205.09711	2.4
221.07426	17.4
233.05977	2.7
245.05971	1.9
245.37869	0.8
255.14595	1.8
304.13922	1.3
307.07480	1.7
308.49362	0.8
324.10095	13.5
343.20944	1.6
378.11002	6.3
453.14337	1.6
453.19876	2.1
458.23444	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	1.4
56.96564	12.8
66.22530	1.0
69.26449	0.9
70.06575	3.2
71.60358	2.0
72.08165	1.2
77.85529	0.9
81.52386	1.0
84.08147	1.7
84.96037	9.9
86.09723	1.1
91.05466	7.5
97.96796	3.0
98.97582	34.5
100.11245	3.4
102.96983	1.0
107.04960	4.4
107.08573	0.8
110.97569	6.8
112.99063	2.2
114.55865	1.1
115.97855	3.3
116.98619	28.9
124.99200	1.0
126.82549	0.9
128.98602	10.4
131.00171	5.8
133.98856	2.2
134.99655	13.6
140.00179	1.1
140.98604	2.1
143.00146	4.6
144.98091	1.7
146.99634	9.1
149.01234	3.6
152.98592	2.1
153.00726	1.9
158.99652	9.2
161.01227	6.2
162.99162	3.2
165.00739	2.2
165.02156	1.7
170.99702	5.7
173.01187	3.5
177.00720	14.2
179.02248	1.4
182.15402	1.7
183.03281	3.3
189.00732	4.9
189.02126	1.4
191.02245	3.7
195.01743	3.4
201.00714	3.0
207.03297	13.0
210.14993	1.3
219.01753	15.1
225.04373	12.7
237.02815	41.1
249.04384	1.4
252.13507	1.1
255.03870	3.2
257.21161	0.9
260.04507	1.0
261.04437	1.9
286.00912	0.9
296.69641	0.9
309.06451	20.7
327.07504	100.0
328.07748	2.3
350.09311	4.5
351.07446	11.2
369.08551	39.8
393.08542	21.6
435.32822	1.5
453.11536	31.8
453.34277	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	452.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.4
53.03944	0.8
53.36963	0.3
55.13544	0.3
57.01417	0.3
57.07064	1.0
70.06580	0.6
71.08640	0.4
74.49162	0.3
77.03926	0.5
79.05489	4.6
81.06988	0.3
81.69485	0.3
87.04449	1.7
89.06024	8.6
91.05474	1.3
93.07047	2.7
95.04953	2.4
102.13937	0.3
103.05460	4.0
105.07023	100.0
106.07339	1.6
117.06967	0.4
119.04930	0.3
119.08579	0.6
121.06496	12.3
129.06989	0.6
131.08575	0.5
133.08591	4.8
139.07515	1.0
147.08054	2.8
149.09628	0.6
165.09099	6.2
183.10103	0.3
209.11595	0.6
209.13272	1.1
223.11154	0.8
225.12657	0.5
227.12762	43.2
228.13113	1.1
228.89000	0.3
229.31721	0.3
237.43338	0.3
251.14194	0.8
331.19080	2.7
342.14728	0.3
346.29504	0.5
388.33865	0.5
418.34579	0.3
452.27472	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
54.23998	0.2
55.05496	0.8
56.05021	0.8
57.07061	0.8
58.06586	1.0
60.08160	12.3
63.81251	0.2
64.97569	0.2
67.05496	0.7
69.07066	2.1
70.04053	0.3
71.07373	3.9
71.59940	0.3
73.06522	0.2
79.05482	0.6
81.07045	0.6
81.43719	0.2
83.04974	1.4
83.08636	0.5
84.46193	0.2
86.09699	26.2
87.10025	0.3
89.06039	0.5
91.05482	1.3
93.07033	0.8
93.14365	0.3
95.04964	0.4
95.08593	0.5
97.02896	0.2
97.10191	0.3
98.98451	2.8
103.05472	0.3
104.10736	100.0
105.07015	2.4
105.11082	0.8
107.08620	0.5
109.10161	0.5
117.46139	0.2
119.08591	0.5
121.06493	0.8
124.99997	19.6
131.08568	0.4
133.08566	0.5
134.82249	0.2
141.01021	0.3
143.01109	0.4
152.08145	0.5
158.97661	0.9
159.11827	0.3
162.32204	0.3
163.03914	0.6
184.07329	24.5
188.72876	0.3
191.71400	0.3
197.07333	0.7
207.06468	1.1
214.82985	0.3
328.08539	0.3
405.15994	0.4
452.34991	18.3
453.34897	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	13.5
57.03439	4.0
57.07069	6.0
61.44898	1.3
62.06086	30.1
67.05511	16.8
67.36790	1.5
69.07073	21.4
71.08636	2.4
79.05492	8.7
81.07066	16.5
83.04967	2.2
83.08624	15.5
91.05495	2.6
93.07049	7.5
95.08607	13.9
97.06526	3.1
97.10156	7.3
98.20761	2.8
98.98471	10.5
105.06995	1.7
107.08594	7.4
109.10178	4.2
111.08084	6.3
111.11707	1.7
121.10126	11.6
123.11689	1.7
135.11716	6.2
137.13306	2.4
142.02692	3.2
154.94170	3.4
155.01010	8.9
166.58936	1.7
172.95238	8.7
173.02109	2.4
184.07251	2.0
190.96234	7.3
207.06595	2.3
219.21172	5.3
228.97815	2.8
237.22191	6.7
246.99120	2.5
274.84207	1.6
280.26404	11.5
311.25800	100.0
312.26157	2.7
335.18753	2.1
349.56119	1.6
453.17178	2.1
471.18024	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	452.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	14.4
57.03426	6.2
57.07093	4.7
61.82542	2.1
62.06087	31.0
62.07732	2.0
65.56380	2.1
67.05495	16.3
69.03353	2.7
69.07069	18.0
69.25044	2.0
70.78946	5.2
71.08606	4.3
79.05489	5.1
81.07063	19.5
83.08628	11.1
91.66001	2.2
93.07037	7.5
95.08602	16.0
97.06528	3.7
97.10166	6.1
98.98471	8.5
107.08595	6.9
109.10142	6.2
111.08106	6.9
121.10117	8.8
123.11688	3.6
133.47853	2.1
135.11690	7.7
137.13254	2.4
155.01050	9.9
156.88655	2.4
167.97356	2.3
172.95274	8.9
173.02119	3.2
190.96275	6.4
207.06500	3.0
216.06302	2.8
219.21089	3.7
237.22139	6.2
280.26462	13.0
311.25793	100.0
312.26361	5.3
453.17047	4.5
471.18433	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	452.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14687	1.0
55.05512	12.4
57.03445	5.5
57.07078	3.8
62.05788	1.8
62.06092	26.8
67.05502	9.5
69.07071	19.5
69.86951	2.1
69.87356	3.5
71.08621	2.4
78.33249	1.0
79.05498	4.1
81.07058	13.0
83.08617	11.2
85.06564	1.2
88.24485	0.9
93.07033	4.6
95.08611	9.2
97.06554	1.6
97.10180	5.2
98.21454	1.8
98.98463	6.6
107.08581	2.5
109.10165	3.4
109.51583	0.9
111.08101	1.6
111.11765	1.1
121.10155	5.3
123.11742	1.7
124.01627	1.4
129.23958	1.1
135.11711	4.3
137.13292	1.3
142.02663	1.7
149.13266	1.4
154.94202	1.5
155.01051	7.0
163.03973	1.1
172.95285	3.4
173.02174	1.8
190.96307	2.4
198.05363	1.1
207.06479	1.7
216.06386	2.3
228.97826	1.4
237.22115	5.9
280.26361	12.4
311.25815	100.0
312.26141	3.6
391.22443	2.1
434.26581	2.4
453.17175	2.2
471.18130	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	452.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	12.6
56.96559	1.7
57.03432	9.4
57.07079	6.4
67.05499	11.7
69.07064	20.7
71.04408	2.7
71.08634	2.6
71.79395	1.3
79.05500	6.7
81.07053	15.4
81.14862	1.4
83.08620	17.2
83.11510	1.2
86.09710	2.3
91.05492	2.2
93.07025	8.0
93.19350	1.5
95.08631	10.1
97.06557	2.9
97.10153	6.8
104.10738	3.9
107.08601	4.3
109.10168	5.4
111.08144	2.1
111.11720	1.7
121.10164	5.9
123.11727	2.9
124.99947	1.8
125.09644	1.5
129.10315	1.3
135.11681	5.2
149.13266	1.6
153.05423	2.0
154.94164	3.8
163.03896	34.6
172.95255	13.4
184.07352	4.0
190.96277	12.3
195.96843	1.7
197.09550	1.7
207.06531	46.6
210.96786	1.9
228.97870	6.6
237.22301	1.9
246.88982	1.4
280.26385	5.4
311.25803	100.0
312.26230	5.2
317.17877	1.8
335.18951	2.7
452.29871	3.1
453.17075	7.2
471.18268	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	452.241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79902	0.1
55.05499	0.3
56.05031	0.6
56.55170	0.1
56.96562	0.2
57.03428	0.4
58.06623	0.5
59.07375	0.1
60.08162	6.7
67.05505	0.9
69.07051	0.4
69.58288	0.3
69.58698	0.3
70.06594	1.0
71.04987	0.2
71.06973	0.2
71.07369	2.8
71.34319	0.1
72.08154	0.2
79.05491	0.8
81.03396	0.2
81.07051	0.9
83.04960	0.2
83.08606	0.1
83.54768	0.1
84.04481	0.2
84.08143	0.5
84.96018	0.2
86.09702	32.2
87.10023	0.4
88.07652	0.1
91.05465	0.4
93.07043	0.9
95.04945	0.2
95.06155	0.1
95.08605	0.4
97.06525	0.3
98.97585	0.3
98.98458	2.7
104.10744	3.5
105.07047	0.3
105.11075	0.1
107.04947	0.2
107.08573	0.4
110.07200	0.1
116.98615	0.3
116.99466	0.1
117.06999	0.2
119.08642	0.1
120.08118	0.3
121.10149	0.2
124.99998	21.6
126.00412	0.1
128.98605	0.2
129.10248	0.2
131.08577	0.2
133.10085	0.2
134.99680	0.2
135.11673	0.1
138.43286	0.1
143.01033	0.5
146.99681	0.1
149.13225	0.2
152.53699	0.1
157.10056	0.1
158.99693	0.1
159.11694	0.3
161.01283	0.2
162.99176	0.1
170.28535	0.1
177.00739	0.2
184.07332	100.0
185.07687	0.9
207.03284	0.2
219.01686	0.1
225.04527	0.1
237.02876	0.4
258.11115	0.2
269.17410	0.6
309.06406	0.2
311.18396	0.2
327.07474	1.2
350.09152	0.2
369.08551	0.4
377.26663	0.1
393.08600	0.2
434.22943	0.9
452.24054	3.7
453.11496	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.1
55.05501	0.7
56.05034	1.3
56.16849	0.2
57.03431	0.6
58.06608	1.1
60.04524	0.3
60.08159	17.6
63.34054	0.3
67.05510	1.3
69.07064	0.3
69.60426	1.5
69.60848	0.4
70.06588	2.8
71.04988	1.1
71.06973	0.5
71.07369	6.4
72.08144	1.4
79.05493	1.4
81.03403	0.6
81.07059	1.8
83.08597	0.4
84.04481	0.8
84.08129	1.1
86.09699	49.9
87.10014	0.4
91.05470	0.7
93.07035	1.1
95.04943	0.4
95.08605	0.4
97.06528	8.6
97.10162	0.5
98.21473	0.5
98.98453	3.5
102.05488	0.3
104.10736	100.0
105.11047	0.7
107.08559	0.7
109.10168	0.8
110.07168	0.6
111.08101	0.3
117.07025	0.4
120.08107	0.7
124.99996	25.4
125.09560	0.3
129.10254	0.9
131.08545	0.3
133.10074	0.3
135.08047	0.3
136.07591	0.4
140.53195	0.2
143.01022	0.3
163.01591	0.4
177.12675	0.7
184.07326	99.5
185.07669	0.8
195.13747	0.6
258.10947	1.3
269.17490	1.9
277.16901	0.3
337.16437	0.3
434.22989	7.8
435.23346	0.4
452.24057	25.6
453.24527	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
55.05504	1.8
56.05037	1.2
57.03435	2.2
58.06586	1.5
59.07366	0.3
60.08165	16.1
60.56818	0.3
65.03941	0.6
66.89516	0.3
67.05507	4.1
69.03436	0.3
69.07069	1.4
70.06584	2.1
70.52520	0.9
71.07375	5.2
72.08152	1.0
79.05495	4.2
81.03421	1.1
81.07059	4.4
83.04991	1.1
83.08612	1.2
84.04505	0.6
84.08133	1.4
86.09705	47.4
87.10043	0.8
91.05483	3.5
93.07044	3.7
95.04962	1.1
95.08604	2.2
97.06541	0.9
97.10151	0.7
98.20826	0.3
98.98477	3.5
103.05494	0.3
104.10744	100.0
105.07018	1.7
105.11066	0.9
107.04950	1.8
107.08587	2.0
109.06513	0.8
109.10173	0.5
110.07162	0.6
111.08050	0.3
117.07062	1.5
119.08576	1.0
120.08130	0.6
121.06506	0.4
121.10156	1.0
123.08044	0.3
125.00004	23.4
129.07054	0.4
129.10260	0.6
131.08539	1.7
133.06520	0.6
133.10159	0.9
135.11705	0.3
143.01054	0.6
145.10088	0.4
149.13264	0.6
157.10173	0.6
159.11668	0.5
163.01564	0.6
173.13211	1.3
183.11685	0.3
184.07339	92.3
185.07710	0.8
189.11293	0.4
191.14343	0.7
201.12782	0.6
219.13814	1.3
232.29382	0.3
258.11108	0.9
262.17966	0.4
269.17471	1.3
293.17456	6.0
311.18500	3.5
312.19037	0.3
375.15549	0.5
434.23141	7.8
435.23404	0.4
452.24078	30.4
453.24597	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.01853	0.9
55.05497	2.1
56.05036	4.0
57.03437	0.9
57.05804	0.6
58.06595	1.0
60.04508	1.8
60.08161	7.6
65.03907	0.6
67.05487	2.9
67.58475	0.6
68.05038	0.6
69.03426	0.9
69.07048	1.6
70.02937	0.9
70.06592	39.6
71.04996	1.8
71.06934	1.5
71.07353	2.4
72.08156	11.7
74.06088	1.6
76.02180	0.6
79.05486	1.2
81.03408	1.9
81.07028	1.6
83.06098	0.8
84.04507	6.1
84.08144	17.7
85.02914	1.5
85.08469	1.2
86.06046	0.8
86.09705	55.6
87.05581	1.5
87.10042	1.8
88.04008	1.5
91.05476	5.5
93.04522	0.9
93.07063	1.2
95.06064	1.3
96.04485	0.7
97.06535	1.5
98.21519	1.3
98.98481	3.3
99.05573	1.7
101.07172	0.8
102.05514	1.5
104.05332	0.8
104.10742	10.9
107.04946	2.3
108.08041	0.7
109.10174	0.6
110.07179	6.9
110.09611	0.7
112.08729	1.1
115.08709	1.4
119.04910	1.0
120.08096	9.9
121.08458	1.3
125.00005	20.5
127.03261	1.0
127.04998	0.8
129.10245	9.1
130.05017	1.2
130.06538	0.7
136.07574	1.4
139.27095	0.7
141.10219	1.0
145.06067	1.6
150.07739	3.9
156.07730	0.8
163.03822	0.8
167.08086	0.7
173.12907	1.1
183.14893	0.7
184.07341	100.0
185.07593	1.3
201.12428	0.8
209.09521	0.8
215.47194	0.7
225.09119	1.0
237.09155	5.3
241.90869	0.6
252.58553	0.7
255.10205	1.0
258.11069	0.9
267.16132	1.4
311.18271	1.0
327.07474	0.9
345.23413	0.7
409.15823	1.4
434.22974	1.0
452.18893	0.8
452.25021	5.3
452.30399	0.9
453.23633	0.8
462.57971	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
55.05500	1.5
56.05032	1.7
56.96531	0.6
57.03416	1.4
58.06604	1.3
60.08164	15.5
61.02915	0.8
67.05521	3.4
69.03429	0.7
69.07053	1.9
69.75366	4.0
70.06590	2.3
71.04977	0.7
71.07377	5.5
72.08169	0.8
79.05492	2.6
80.05013	0.6
81.03409	1.8
81.07069	4.3
83.05001	1.0
83.08614	0.8
84.08131	1.0
85.02903	1.1
85.24243	0.6
86.09705	46.6
91.05473	2.4
92.75553	0.5
93.07038	4.8
94.06579	0.7
95.04971	1.1
95.06091	1.0
95.08604	1.3
97.06522	0.9
98.20764	1.2
98.98458	2.1
104.10740	100.0
105.07019	1.0
105.11094	0.9
107.04955	7.8
107.08611	1.9
107.24763	0.6
109.10123	0.7
117.07051	0.9
119.08613	0.9
120.08091	0.9
121.06496	6.5
121.10165	1.6
124.99998	21.7
125.09658	0.7
129.06941	0.6
133.10052	0.6
133.88005	0.6
136.07518	0.6
143.00990	0.8
147.04315	0.8
163.01495	0.7
163.11140	0.7
184.07338	83.9
188.98654	0.6
189.11604	0.8
191.57829	0.6
236.16417	0.8
258.10922	1.0
269.17532	0.9
296.98874	1.0
302.04150	1.8
303.04871	2.2
317.06277	1.0
351.00052	1.2
358.98441	0.7
359.98752	1.3
376.99570	1.0
377.99719	2.7
383.00305	0.8
388.99466	1.1
402.96765	1.8
405.99731	1.5
406.48044	0.6
406.99823	2.5
410.99893	1.2
412.00916	2.5
429.01038	1.2
430.00751	1.7
434.22968	5.2
452.24051	28.7
452.29520	1.1
453.24268	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	452.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17790	2.3
55.05515	14.2
57.03433	9.9
60.08149	2.2
61.30633	2.3
62.06090	46.7
63.69575	2.2
67.05502	61.7
68.04995	2.4
69.07076	12.4
70.06588	9.6
71.04987	5.8
71.20689	4.7
72.08160	3.1
79.05489	34.7
81.03397	3.6
81.07053	48.4
83.04970	4.8
83.08611	5.3
84.08156	6.4
86.09712	11.0
91.05480	24.9
93.07045	37.8
95.04982	5.5
95.08607	54.5
96.04513	2.5
97.06522	5.4
97.10191	3.2
98.98462	62.8
104.10740	3.1
105.07042	15.1
107.04948	5.8
107.08591	26.3
109.06520	2.8
109.10151	18.8
110.07172	2.8
116.99451	4.1
117.07026	3.7
119.08576	12.7
120.08102	3.0
121.10133	23.8
123.08051	5.1
123.11719	5.7
125.00026	3.1
131.08609	12.6
133.10130	11.3
135.11688	12.6
137.09631	4.6
142.02620	2.6
142.28809	2.4
145.09200	2.4
145.10098	13.0
147.11679	4.9
155.01030	23.2
159.11703	6.5
164.22530	2.7
169.10152	7.8
173.02095	20.9
173.13249	3.7
175.14763	3.6
179.12286	2.3
184.07410	14.7
191.18019	3.8
196.52011	2.3
201.16370	25.5
207.17436	4.9
216.06412	4.2
217.39319	2.4
219.17413	49.1
237.18439	7.3
258.31616	2.5
280.22775	8.7
288.80762	2.7
293.21121	11.5
295.12811	2.3
311.22186	100.0
312.22552	3.2
361.22287	2.6
373.17670	10.1
391.18796	10.4
434.22946	3.4
452.23865	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	452.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.7
55.01864	1.1
55.05508	8.9
56.96571	1.0
57.03440	6.9
57.07070	1.1
62.06075	1.2
65.03928	1.4
67.05504	38.1
69.03450	0.9
69.07066	6.5
69.42833	7.0
70.06582	2.4
71.04993	3.4
71.08625	1.0
72.08128	1.1
79.05490	20.8
81.03370	0.8
81.07053	44.4
82.07396	0.8
83.04971	1.9
83.08618	4.0
84.08125	2.7
85.06532	1.5
86.09709	4.8
91.05478	11.6
93.07040	19.3
95.04951	2.6
95.08601	33.7
97.06525	2.7
97.10147	2.8
98.98457	3.9
99.08079	1.4
104.10741	1.4
105.07030	7.0
107.04953	7.5
107.08579	10.6
107.65517	0.9
109.06502	1.6
109.10156	12.3
110.07139	0.7
111.08040	1.7
117.07020	2.8
119.08559	5.8
120.08129	1.0
121.02811	0.8
121.06525	1.0
121.10133	6.9
123.08056	2.2
123.11707	2.6
128.00412	0.7
131.08554	5.8
133.10127	4.1
135.08032	0.9
135.11676	5.7
137.09593	2.5
145.06488	0.8
145.10120	5.0
147.11650	2.2
159.11687	2.7
163.11148	1.3
173.02118	1.5
173.13287	1.5
175.14796	0.8
177.12726	0.8
184.07272	4.3
201.16386	6.1
205.05669	0.7
216.06264	1.2
219.17392	3.7
237.18552	0.9
261.09006	0.8
267.15442	0.8
275.06696	1.2
280.22739	1.6
293.21146	2.1
311.22150	100.0
312.22498	4.6
393.15002	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.0638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.9
56.05033	3.8
57.03438	3.0
60.04522	3.1
65.03938	2.7
67.05505	4.3
69.03416	4.9
69.07064	2.6
69.84429	1.6
70.06230	2.7
70.06591	26.2
71.04984	4.3
71.59891	3.3
72.08140	5.7
72.93777	5.4
74.06057	2.4
77.10110	1.6
79.05505	2.9
81.03420	11.0
81.07042	3.8
84.04493	7.3
84.08141	7.4
85.02896	5.7
85.84973	1.8
86.09704	15.7
87.04472	4.0
90.94816	3.4
91.05474	62.6
93.07032	4.0
95.04968	4.2
95.06088	3.6
95.08589	3.2
97.02903	4.0
97.06532	2.8
98.06045	2.2
99.05566	5.2
101.07164	1.8
105.07043	2.7
106.08659	3.2
107.04957	21.4
109.05121	1.9
110.07146	4.9
116.07093	4.6
117.07012	3.0
119.08571	2.7
120.08102	12.9
121.06509	2.3
121.08470	3.2
127.03964	2.5
129.10254	3.2
130.05035	2.7
132.95827	4.9
133.10187	1.9
136.07552	3.1
137.05981	4.9
144.95862	5.5
145.06049	8.6
146.06042	1.9
146.97397	2.0
148.98972	3.2
150.07735	34.7
150.96886	3.4
154.04938	6.4
158.97404	8.4
162.96910	4.8
165.21555	1.9
165.74719	1.7
168.95816	3.2
171.58740	1.8
174.96877	3.6
176.98424	5.3
180.99388	1.8
186.96931	4.8
192.99471	3.4
193.12337	2.3
198.97018	2.5
204.98006	3.8
208.07169	1.9
211.46135	2.0
216.97919	5.3
223.00546	3.3
231.11237	2.4
234.98991	20.9
237.02942	2.4
253.00111	3.7
267.15939	10.1
277.01736	2.0
282.98236	1.9
292.55423	1.9
323.16147	2.8
325.03690	100.0
343.04947	2.7
345.22571	2.9
366.06354	3.6
372.41522	2.0
390.65512	2.3
411.03543	6.2
435.18735	4.1
452.09793	6.8
452.19226	2.8
452.25208	36.9
466.42499	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	451.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.2
55.05514	4.4
56.05034	4.6
58.06602	6.6
58.38993	0.8
60.04520	2.9
60.08167	5.5
61.01153	0.9
67.05513	2.0
69.75585	2.0
69.75996	3.1
70.02965	1.1
70.06593	43.0
71.04982	1.6
71.06929	1.3
71.07347	1.5
72.03596	0.9
72.08155	41.0
74.06077	2.7
79.05465	1.5
80.05008	1.5
81.03411	2.3
81.07072	1.6
82.03761	0.9
82.06581	4.4
84.04504	6.8
84.08141	100.0
85.02887	1.7
86.09703	29.3
87.05595	2.1
87.10025	4.4
88.03975	1.9
91.05462	1.7
93.07081	1.3
94.06568	5.1
95.08588	0.9
96.04491	1.8
96.08111	5.0
98.09087	1.7
98.09684	15.5
98.20722	0.9
98.98476	2.4
101.07134	1.0
101.10780	20.4
102.05556	3.3
104.05312	0.8
104.10746	17.1
105.11067	4.4
106.06567	2.0
107.04935	5.6
107.07365	1.8
108.08115	20.7
110.07176	5.7
110.09682	11.0
112.08726	1.6
112.11235	5.5
113.10764	1.0
115.12347	10.1
116.07138	1.6
118.06512	1.1
120.08110	22.4
121.08410	0.9
122.09663	2.6
125.00020	11.9
126.00316	1.0
128.07042	0.9
129.10258	6.9
129.13873	1.6
130.04990	2.6
130.06570	0.9
132.08076	2.3
133.08859	1.5
134.09636	4.7
136.07591	3.4
141.06586	0.9
150.07755	4.9
171.07585	1.0
171.11269	1.0
173.09247	1.2
177.10226	0.9
184.07343	38.7
184.18076	8.8
185.07704	10.2
187.07086	1.2
190.15913	1.1
206.15410	1.7
212.16472	7.5
218.15471	3.1
224.16435	6.9
234.68394	0.9
236.16446	10.2
238.18025	2.0
243.20679	4.2
244.16988	2.2
248.16440	6.8
250.18089	3.6
262.17990	19.8
264.19876	1.0
293.22214	7.4
307.23822	8.7
319.23862	1.6
321.25201	1.0
338.28033	11.5
345.13159	1.7
390.31461	1.2
401.80438	0.9
407.13034	2.8
407.33780	28.0
433.21863	1.7
451.12140	5.8
451.22830	3.4
452.24890	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	451.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.8
58.99850	0.8
59.98365	0.3
67.05473	1.2
69.07070	0.4
70.06589	0.5
70.48416	1.2
71.32471	0.3
77.00912	7.1
78.00958	0.3
81.07035	1.2
83.08593	0.5
86.09726	0.4
91.05447	0.4
93.07023	1.0
95.01394	0.6
95.01948	8.7
95.08614	1.7
100.02454	0.4
104.10728	0.8
105.06937	0.5
107.04935	0.9
107.08578	0.3
109.10126	0.6
118.03500	0.3
119.08543	0.7
121.10088	0.6
123.11694	1.2
124.99994	0.5
131.01942	0.5
145.10133	0.4
159.11874	0.3
183.12332	0.5
184.07341	0.9
201.09752	0.4
207.12219	0.3
211.15329	0.3
217.10794	0.9
219.12210	3.1
225.13361	1.4
227.11383	0.4
231.10770	0.6
233.10272	0.4
235.11754	1.3
237.13345	36.3
238.13655	1.5
243.11952	0.7
243.14447	11.7
244.14793	0.6
253.12848	2.3
254.16211	0.3
255.14423	100.0
256.14694	4.7
257.14658	0.4
260.14972	3.0
261.15515	4.7
266.15952	0.6
273.15479	23.0
274.15692	0.8
275.19901	0.4
278.16025	8.8
279.16272	0.6
290.07031	0.3
296.17047	2.2
451.29074	19.9
452.29294	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55121	1.3
54.83944	1.1
56.96567	26.4
67.05488	2.6
69.07050	1.4
69.30687	6.0
69.31121	7.0
71.95260	3.8
74.97578	1.3
81.07047	1.4
89.06010	1.6
98.21526	2.9
128.98605	3.8
131.00156	1.4
143.00223	1.7
146.99686	6.5
149.01254	2.4
155.03806	1.5
165.00769	2.5
179.02304	1.5
187.15010	1.2
189.04338	1.8
191.13402	1.1
225.91510	1.2
245.10678	1.6
258.97910	1.4
317.17886	100.0
318.18323	2.2
319.19580	1.3
333.17368	1.3
335.18924	62.7
340.43109	1.4
353.20096	1.8
358.20554	19.0
359.20590	1.7
391.21448	8.1
451.19427	1.4
451.27551	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	451.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.8
58.99850	0.8
59.98365	0.3
67.05473	1.2
69.07070	0.4
70.06589	0.5
70.48416	1.2
71.32471	0.3
77.00912	7.1
78.00958	0.3
81.07035	1.2
83.08593	0.5
86.09726	0.4
91.05447	0.4
93.07023	1.0
95.01394	0.6
95.01948	8.7
95.08614	1.7
100.02454	0.4
104.10728	0.8
105.06937	0.5
107.04935	0.9
107.08578	0.3
109.10126	0.6
118.03500	0.3
119.08543	0.7
121.10088	0.6
123.11694	1.2
124.99994	0.5
131.01942	0.5
145.10133	0.4
159.11874	0.3
183.12332	0.5
184.07341	0.9
201.09752	0.4
207.12219	0.3
211.15329	0.3
217.10794	0.9
219.12210	3.1
225.13361	1.4
227.11383	0.4
231.10770	0.6
233.10272	0.4
235.11754	1.3
237.13345	36.3
238.13655	1.5
243.11952	0.7
243.14447	11.7
244.14793	0.6
253.12848	2.3
254.16211	0.3
255.14423	100.0
256.14694	4.7
257.14658	0.4
260.14972	3.0
261.15515	4.7
266.15952	0.6
273.15479	23.0
274.15692	0.8
275.19901	0.4
278.16025	8.8
279.16272	0.6
290.07031	0.3
296.17047	2.2
451.29074	19.9
452.29294	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55121	1.3
54.83944	1.1
56.96567	26.4
67.05488	2.6
69.07050	1.4
69.30687	6.0
69.31121	7.0
71.95260	3.8
74.97578	1.3
81.07047	1.4
89.06010	1.6
98.21526	2.9
128.98605	3.8
131.00156	1.4
143.00223	1.7
146.99686	6.5
149.01254	2.4
155.03806	1.5
165.00769	2.5
179.02304	1.5
187.15010	1.2
189.04338	1.8
191.13402	1.1
225.91510	1.2
245.10678	1.6
258.97910	1.4
317.17886	100.0
318.18323	2.2
319.19580	1.3
333.17368	1.3
335.18924	62.7
340.43109	1.4
353.20096	1.8
358.20554	19.0
359.20590	1.7
391.21448	8.1
451.19427	1.4
451.27551	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	451.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27516	4.0
53.03934	12.6
55.01852	16.9
55.05494	20.6
57.03421	12.0
57.07059	6.5
61.02901	12.8
67.05495	42.7
68.99786	12.9
69.03073	4.9
69.03423	69.2
69.07076	31.6
69.38774	7.8
69.39168	36.7
71.04993	30.0
73.02910	9.1
79.05484	29.8
81.03406	49.3
81.07047	67.9
83.04962	17.9
83.08612	9.3
85.02901	80.7
87.00831	32.2
87.04457	10.3
91.05479	47.5
93.07035	54.8
95.01276	4.1
95.04972	20.9
95.08044	5.7
95.08599	72.8
97.02885	42.1
97.06534	20.2
97.10138	7.6
98.20771	7.6
99.04445	11.1
103.03909	11.8
105.01847	11.8
105.07021	71.0
107.04945	26.3
107.08581	47.5
109.02869	26.7
109.06493	10.0
109.10164	49.8
111.04427	11.6
111.08070	6.8
115.03930	17.2
117.01878	5.4
117.07021	16.4
118.06550	4.4
119.08579	80.7
121.06486	9.8
121.10126	40.0
123.04430	8.8
123.08070	10.0
123.11662	21.5
125.09593	5.8
127.03913	28.0
127.11189	12.6
128.06229	6.2
129.01830	14.5
129.06992	14.0
130.07755	5.5
131.07118	4.5
131.08566	40.1
133.06503	7.3
133.10118	58.8
135.04405	7.5
135.07997	4.8
135.11682	21.7
137.05922	11.1
137.09615	11.4
142.07773	12.7
143.08540	27.4
144.09328	8.5
145.04955	7.5
145.06500	5.0
145.10092	71.3
147.08017	11.5
147.11667	41.8
149.09581	7.3
149.13252	17.3
151.11179	7.1
155.08507	10.2
156.09305	16.3
157.10107	44.5
158.10980	5.4
159.02878	16.6
159.08026	11.2
159.11671	70.7
161.09612	10.2
161.13223	23.5
163.11179	5.6
165.06934	4.7
167.08449	5.5
169.10117	13.2
170.10893	5.8
171.08034	8.3
171.11642	34.2
173.09590	8.8
173.13260	30.4
175.11151	6.4
175.14778	11.6
179.08528	4.2
181.10107	12.1
183.11658	17.4
185.09618	6.5
185.13231	17.6
187.11198	9.1
187.14822	32.1
189.03903	11.0
189.09076	5.3
189.12686	8.3
189.16389	54.1
195.11635	12.9
197.09587	4.6
197.13261	14.1
199.11165	6.6
199.14812	12.7
201.03911	14.3
201.12802	7.9
201.16336	44.8
203.10651	7.7
203.14519	5.1
203.17973	23.8
207.11729	7.4
209.13292	6.4
213.12753	8.5
213.16431	15.9
215.14334	6.4
215.17996	23.1
217.12144	5.8
219.17532	6.9
223.14828	10.8
225.12732	15.7
225.16379	9.0
227.18004	9.5
229.19531	4.3
231.17406	13.6
233.19044	6.0
239.17949	5.4
241.15761	8.7
243.13754	11.9
243.17500	8.0
245.18929	12.1
255.17580	6.1
257.18893	10.0
259.16907	6.2
261.18399	7.2
269.19046	6.2
273.08844	4.2
273.20535	7.0
275.20270	7.3
283.20578	6.1
293.18970	7.9
311.19992	32.0
329.21057	22.5
343.46976	3.9
347.14651	4.3
347.22012	8.1
365.23718	5.6
407.24097	7.1
415.21179	18.3
433.22165	32.2
446.02594	4.4
451.23114	100.0
451.28882	41.3
452.23306	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	450.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	14.2
56.06208	1.6
56.92263	1.8
57.03431	6.5
62.05784	2.7
62.06089	34.8
67.05182	2.6
67.05508	39.6
69.07091	14.5
71.04989	1.9
71.58768	2.6
79.05492	10.5
81.07057	28.4
83.08613	5.0
84.08186	1.8
85.06528	3.0
86.09702	2.1
91.05479	6.4
93.07072	11.0
95.08620	27.9
97.06530	2.3
97.10176	1.9
98.06054	1.9
98.98463	7.8
104.10692	2.0
105.07003	4.3
107.04968	4.5
107.08587	7.5
109.10160	13.9
119.08587	2.9
121.10129	4.2
123.11720	5.2
124.01571	2.6
125.09628	1.8
133.10149	2.7
135.11705	2.7
147.11644	2.8
155.01007	5.1
169.50423	2.0
184.07419	4.6
188.18398	1.6
217.19630	3.0
220.96724	1.9
235.20572	2.1
278.24826	9.0
303.51419	1.9
309.24249	100.0
310.24615	3.9
317.19635	2.6
335.20871	3.5
432.25226	3.0
450.25662	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	450.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	13.5
56.05064	2.0
56.25591	2.0
57.03435	7.8
65.38551	1.9
67.05503	28.8
69.07065	13.8
71.58989	3.0
75.55164	1.9
79.05499	9.1
79.34270	1.8
81.07049	28.5
83.08619	8.5
84.04505	7.8
86.09696	2.3
91.05466	10.0
93.07053	7.9
95.04963	2.3
95.08604	20.8
97.06521	3.3
105.07033	5.4
107.04933	4.1
107.08611	5.7
109.10139	10.9
111.08105	1.9
112.55557	1.8
117.07018	2.0
119.08591	5.4
121.10125	4.7
123.11707	3.5
127.62611	2.0
130.05006	2.1
133.10158	5.2
135.11726	4.3
143.40479	1.8
147.11690	2.6
161.13255	2.3
184.07417	2.5
291.19818	2.0
309.24225	100.0
310.24484	2.7
313.55551	1.9
462.03909	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	0.6
56.96550	1.2
62.02308	0.4
69.91910	0.3
70.06580	2.1
71.60275	0.8
72.08141	1.7
79.05479	0.8
82.46339	0.4
83.06085	0.6
84.04474	0.7
84.08142	1.5
86.03543	1.1
86.09711	2.7
91.05470	0.7
95.04962	0.5
95.06057	0.8
98.97562	1.4
99.05573	0.4
104.05018	0.4
105.03381	0.7
105.06952	0.4
106.06551	0.5
107.04947	11.1
110.07227	0.4
111.05556	2.9
116.98627	0.9
119.04889	0.5
120.04475	2.4
120.08101	1.3
121.08387	0.4
123.05517	0.8
125.05910	0.4
126.06621	1.0
129.10254	0.6
130.06462	0.5
132.04445	18.2
134.06004	4.2
136.07626	0.4
137.04683	1.3
146.99678	0.6
150.05501	1.5
150.07761	0.5
150.99173	1.3
151.06136	7.4
163.02727	0.7
169.65341	0.4
170.99609	0.5
177.00687	0.5
177.04036	0.4
187.08669	0.9
193.00211	0.5
194.06755	3.2
195.07518	0.6
202.09749	1.4
203.08228	0.7
215.07019	0.6
219.01752	1.0
230.09348	1.0
231.07678	1.1
232.10919	1.0
237.02852	0.8
242.09183	3.8
257.10226	4.0
259.09305	0.9
259.11871	8.0
277.02264	0.5
282.20526	0.5
284.11404	3.2
289.06137	0.6
302.12445	13.1
327.11908	3.0
345.13037	100.0
346.13223	3.1
393.06946	1.8
393.20975	3.2
451.21823	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.1
55.05505	0.8
57.03411	0.5
59.58026	0.5
60.08157	1.3
61.02908	1.3
65.03928	0.5
67.05507	2.9
68.05860	0.6
69.03400	0.8
70.06242	0.8
70.06589	10.0
71.04984	1.7
71.07346	0.7
71.09986	0.7
71.10330	1.2
72.08148	1.1
76.52773	0.5
79.05504	0.7
79.56306	0.6
81.03408	1.3
81.07041	0.5
83.04963	0.6
84.08135	2.3
85.02894	3.5
86.09703	6.7
88.07625	0.6
89.06016	3.0
91.04961	0.9
91.05475	11.1
92.05791	0.5
93.07036	1.1
95.04951	0.8
96.08102	0.6
97.02876	0.8
97.06532	4.3
98.06849	1.6
98.09684	44.5
99.10024	0.8
104.10732	9.0
107.04939	4.7
109.10180	0.6
110.58086	0.5
111.04414	0.7
114.09160	2.9
116.07053	1.0
119.04930	19.7
120.08114	2.9
121.06488	0.5
121.08424	0.9
124.99997	2.5
127.03912	0.9
129.10219	0.7
129.19531	0.5
130.08643	0.9
132.10214	1.7
132.59349	0.8
140.14322	17.9
147.04396	100.0
148.04733	1.9
158.15393	24.3
176.12793	1.2
184.07323	8.4
195.13754	1.2
196.14101	0.8
201.05504	0.9
259.09604	1.4
264.17883	0.6
275.09006	2.9
287.05472	4.4
287.12466	2.9
287.18542	1.4
288.05853	7.7
288.09000	0.7
288.09653	0.6
288.12817	7.6
288.18710	3.6
289.05908	0.6
304.19064	2.4
450.18201	11.4
450.24783	50.6
451.18503	1.0
451.25110	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.1
55.05505	0.8
57.03411	0.5
59.58026	0.5
60.08157	1.3
61.02908	1.3
65.03928	0.5
67.05507	2.9
68.05860	0.6
69.03400	0.8
70.06242	0.8
70.06589	10.0
71.04984	1.7
71.07346	0.7
71.09986	0.7
71.10330	1.2
72.08148	1.1
76.52773	0.5
79.05504	0.7
79.56306	0.6
81.03408	1.3
81.07041	0.5
83.04963	0.6
84.08135	2.3
85.02894	3.5
86.09703	6.7
88.07625	0.6
89.06016	3.0
91.04961	0.9
91.05475	11.1
92.05791	0.5
93.07036	1.1
95.04951	0.8
96.08102	0.6
97.02876	0.8
97.06532	4.3
98.06849	1.6
98.09684	44.5
99.10024	0.8
104.10732	9.0
107.04939	4.7
109.10180	0.6
110.58086	0.5
111.04414	0.7
114.09160	2.9
116.07053	1.0
119.04930	19.7
120.08114	2.9
121.06488	0.5
121.08424	0.9
124.99997	2.5
127.03912	0.9
129.10219	0.7
129.19531	0.5
130.08643	0.9
132.10214	1.7
132.59349	0.8
140.14322	17.9
147.04396	100.0
148.04733	1.9
158.15393	24.3
176.12793	1.2
184.07323	8.4
195.13754	1.2
196.14101	0.8
201.05504	0.9
259.09604	1.4
264.17883	0.6
275.09006	2.9
287.05472	4.4
287.12466	2.9
287.18542	1.4
288.05853	7.7
288.09000	0.7
288.09653	0.6
288.12817	7.6
288.18710	3.6
289.05908	0.6
304.19064	2.4
450.18201	11.4
450.24783	50.6
451.18503	1.0
451.25110	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	6.7
55.01864	6.2
55.05503	19.6
56.96561	2.8
57.03429	7.6
57.07055	7.4
59.04997	3.3
59.84771	3.1
61.02910	7.4
65.03931	2.7
67.05502	21.4
67.24623	3.1
69.03432	21.4
69.07064	50.6
70.06582	11.4
71.04987	7.8
71.59373	2.7
71.59784	4.8
72.08159	6.4
73.02913	2.8
75.16047	2.4
79.05499	30.8
81.03404	21.0
81.07056	58.7
83.04982	4.1
83.08618	22.7
84.08144	3.6
85.02901	59.9
85.06523	20.1
86.09697	3.8
87.00811	21.4
87.04467	6.8
91.03979	3.4
91.05472	32.5
93.07037	100.0
95.04962	16.0
95.08599	33.5
96.04628	3.1
96.08093	2.8
97.02877	28.3
97.06519	8.8
97.10246	3.0
97.56788	2.7
99.04442	8.4
103.05476	3.5
105.01857	54.1
105.07009	19.9
106.06621	2.8
107.04961	45.4
107.08588	77.3
108.05291	4.6
109.02840	14.4
109.06496	4.2
109.10146	17.8
110.07162	3.5
111.08094	6.2
119.08565	9.3
121.06478	11.6
121.10123	51.4
123.08041	2.8
123.11710	32.5
127.03919	53.3
131.08556	3.2
133.06519	4.1
135.08022	4.0
136.07556	4.8
136.58984	2.6
137.05917	4.6
137.13280	3.8
140.95001	3.0
145.04933	28.2
147.02875	3.3
147.08054	3.9
147.11629	3.1
149.13243	69.1
150.09105	4.3
150.13632	3.3
159.02905	7.0
167.14313	12.9
183.65016	2.9
184.07349	3.8
203.14305	3.5
231.04951	12.7
249.06035	5.9
269.89542	3.2
272.20111	8.2
285.12460	3.6
297.12344	3.2
346.23187	3.1
359.22354	5.0
419.14218	5.0
450.20575	5.6
450.28049	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	450.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07340	0.3
55.01854	0.4
55.05497	0.9
56.96542	0.3
57.03413	0.4
57.07068	0.3
58.06598	0.4
61.02900	0.3
61.19023	0.3
65.03925	1.0
67.05493	2.0
69.03418	0.9
69.07043	0.6
70.06594	4.1
71.04970	0.9
71.60348	0.6
72.08131	0.2
77.03899	0.3
79.05479	0.9
80.24567	0.3
81.03434	0.6
81.07052	0.8
83.04984	0.5
83.08603	1.0
84.04517	0.5
84.08126	1.0
84.23717	0.3
84.99561	0.2
85.02892	2.2
86.09701	1.1
91.05474	6.4
93.07030	0.5
95.04951	0.3
95.06101	0.5
97.02868	0.5
97.06514	0.9
98.06037	0.3
98.09686	34.0
105.06979	0.4
107.04956	3.5
107.08521	0.4
109.02914	0.3
109.10174	0.6
111.04396	0.3
119.04939	20.4
120.05228	0.5
120.08089	2.3
121.06452	0.4
121.10147	0.6
123.04509	0.3
127.03842	0.3
129.10216	0.3
140.14330	14.2
143.10646	0.5
147.04399	100.0
148.04768	1.0
150.07733	0.5
158.15396	25.8
159.15749	0.5
163.03935	0.4
201.05420	0.8
202.17986	0.6
215.07066	0.7
259.09625	1.2
275.09210	2.0
287.05325	0.7
288.05875	1.7
304.19043	2.8
450.24863	48.8
451.12106	0.6
451.25095	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	6.7
55.01864	6.2
55.05503	19.6
56.96561	2.8
57.03429	7.6
57.07055	7.4
59.04997	3.3
59.84771	3.1
61.02910	7.4
65.03931	2.7
67.05502	21.4
67.24623	3.1
69.03432	21.4
69.07064	50.6
70.06582	11.4
71.04987	7.8
71.59373	2.7
71.59784	4.8
72.08159	6.4
73.02913	2.8
75.16047	2.4
79.05499	30.8
81.03404	21.0
81.07056	58.7
83.04982	4.1
83.08618	22.7
84.08144	3.6
85.02901	59.9
85.06523	20.1
86.09697	3.8
87.00811	21.4
87.04467	6.8
91.03979	3.4
91.05472	32.5
93.07037	100.0
95.04962	16.0
95.08599	33.5
96.04628	3.1
96.08093	2.8
97.02877	28.3
97.06519	8.8
97.10246	3.0
97.56788	2.7
99.04442	8.4
103.05476	3.5
105.01857	54.1
105.07009	19.9
106.06621	2.8
107.04961	45.4
107.08588	77.3
108.05291	4.6
109.02840	14.4
109.06496	4.2
109.10146	17.8
110.07162	3.5
111.08094	6.2
119.08565	9.3
121.06478	11.6
121.10123	51.4
123.08041	2.8
123.11710	32.5
127.03919	53.3
131.08556	3.2
133.06519	4.1
135.08022	4.0
136.07556	4.8
136.58984	2.6
137.05917	4.6
137.13280	3.8
140.95001	3.0
145.04933	28.2
147.02875	3.3
147.08054	3.9
147.11629	3.1
149.13243	69.1
150.09105	4.3
150.13632	3.3
159.02905	7.0
167.14313	12.9
183.65016	2.9
184.07349	3.8
203.14305	3.5
231.04951	12.7
249.06035	5.9
269.89542	3.2
272.20111	8.2
285.12460	3.6
297.12344	3.2
346.23187	3.1
359.22354	5.0
419.14218	5.0
450.20575	5.6
450.28049	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	450.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79730	4.8
53.03939	17.1
55.01867	10.7
55.05508	12.5
56.96557	4.8
57.03432	13.4
57.07077	8.6
61.02921	9.7
67.05501	19.2
69.03410	32.0
69.07059	25.3
69.71899	4.3
70.06583	12.7
70.07391	4.5
71.04990	10.4
71.59606	7.6
71.59991	4.7
73.02909	10.1
79.05497	14.9
81.03413	46.5
81.07064	32.4
83.08601	6.4
85.02901	85.8
86.09692	28.9
87.00819	36.6
91.03932	5.4
91.05475	19.1
92.95509	4.7
93.07045	46.0
95.04942	9.2
95.08591	29.4
97.02873	57.6
99.04459	20.8
105.01877	42.6
105.07031	19.3
107.04970	36.7
107.08562	51.4
109.02879	35.0
109.10096	5.0
112.07587	6.1
115.03929	4.7
119.08602	7.4
121.06483	21.3
121.10138	32.6
123.11675	10.8
125.00024	8.9
127.03921	65.6
131.08609	7.6
133.06491	14.6
138.09145	5.4
138.94637	4.4
145.04942	42.3
147.08047	4.9
147.11702	6.6
149.13231	100.0
149.14340	6.7
150.09183	7.5
159.02910	18.3
159.08006	6.5
161.13348	6.6
165.22195	4.2
167.14297	13.0
173.09761	4.8
181.70207	4.5
184.07329	64.3
203.14536	5.2
231.05043	11.7
243.17421	6.7
250.09529	5.2
345.06155	10.8
451.18402	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	450.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
55.05506	0.8
56.05039	1.8
57.03429	0.9
58.06584	1.9
58.06826	0.2
60.04519	0.4
60.08165	18.4
64.54645	0.2
64.92470	0.2
67.05509	1.5
69.03442	0.5
69.07048	0.5
69.60485	0.8
69.60899	1.1
70.06590	4.8
71.04997	0.3
71.07376	6.9
72.08147	1.9
79.05487	1.1
81.03419	7.4
81.07053	1.6
83.04992	0.4
83.08608	0.6
84.04496	1.0
84.08146	2.3
86.09707	56.6
87.05607	0.3
87.10042	0.4
88.03957	0.5
91.05476	2.1
93.07053	1.1
95.04978	1.9
95.08614	0.7
97.06497	0.3
98.09703	1.0
98.98479	3.7
103.05437	0.3
104.10745	95.5
105.07043	1.1
105.11076	1.0
107.04968	1.2
107.08621	0.5
109.06497	0.8
110.07176	1.1
111.08112	0.6
111.56756	0.3
116.07129	0.3
116.98658	0.3
119.04931	0.7
119.08598	1.1
120.08111	2.0
121.08446	0.3
121.10167	0.3
122.86603	0.3
125.00006	29.4
129.06985	0.8
129.10248	1.1
130.04993	0.3
130.06468	0.4
131.08572	0.6
133.06500	0.3
133.10065	0.4
136.07599	0.6
137.10756	0.2
140.14391	0.6
143.01039	0.8
147.04430	2.1
147.07945	0.3
147.11687	0.5
148.07513	0.3
150.56908	0.3
157.10121	0.5
163.01556	0.4
171.72815	0.3
175.11220	0.3
181.02582	0.3
184.07343	100.0
185.07730	1.1
193.12206	0.5
258.10999	1.7
267.15927	2.0
278.17599	0.7
288.05798	0.4
352.21216	0.4
373.14273	0.7
432.16684	0.4
432.21625	5.8
433.21750	0.4
450.22556	14.6
451.22894	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2249
Annotation	Hypognavine
Peak:m/z	Relative Intensity
52.11827	0.2
55.05506	0.4
56.05028	0.6
57.03442	0.6
57.63890	0.3
58.06615	0.3
60.08167	7.4
67.05500	0.8
69.81722	0.3
70.06599	0.8
70.83780	0.2
71.07375	3.6
71.59110	0.6
71.59480	0.3
72.08165	0.4
77.09074	0.2
79.05489	0.3
81.03427	2.8
81.07066	0.8
82.04134	0.3
83.04977	0.3
83.08599	0.6
84.08135	0.5
86.09710	34.3
87.10039	0.3
91.05491	1.1
93.07062	0.4
95.04977	0.7
95.08604	0.4
98.06050	0.3
98.98473	3.2
104.10747	4.7
105.07035	0.8
106.99121	0.2
107.04974	1.7
109.06518	0.3
119.08606	0.3
120.08115	0.3
121.02866	0.3
121.10198	0.4
125.00009	23.8
129.07063	0.3
129.10188	0.3
131.08571	0.5
133.06441	0.4
143.01059	0.7
145.10104	0.5
163.01651	0.3
174.40967	0.2
174.93028	0.2
175.11153	0.3
184.07349	100.0
185.07698	1.3
217.02547	0.2
234.02286	0.3
254.24210	0.2
267.15860	0.6
278.21228	1.3
294.92313	0.3
432.21298	0.6
450.22382	1.1
451.15210	0.5
469.07013	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01877	0.9
55.05516	0.8
56.05040	1.1
57.03429	0.7
58.06607	0.4
59.25742	0.3
60.04501	0.5
60.07877	0.5
60.08164	6.6
60.24257	0.3
61.02924	0.3
67.05495	1.0
69.03423	1.9
69.07071	0.8
70.06589	5.2
71.04981	1.7
71.07365	3.3
71.58160	0.4
72.04530	0.3
72.08150	2.2
72.81250	0.3
79.05501	0.9
81.03416	7.4
81.07061	0.8
83.04980	0.8
83.08625	0.5
84.04510	1.0
84.08145	2.4
85.02893	1.4
86.09705	40.1
87.05614	0.3
87.10027	0.6
89.48079	0.3
91.05485	0.9
93.07043	0.7
95.04978	0.7
95.08600	0.5
97.06527	2.1
98.06880	0.5
98.09696	3.8
98.10292	0.5
98.98473	3.8
99.04453	2.6
101.07114	0.3
103.03951	0.7
103.05450	0.5
104.10744	3.9
105.07038	0.7
107.04974	0.9
107.08556	0.6
109.02885	2.4
110.07159	0.9
110.10509	0.4
117.05530	0.4
118.06543	0.7
119.04964	0.5
119.08643	0.3
120.08109	4.9
121.10116	0.4
123.01112	0.3
125.00007	23.5
127.03951	0.9
129.10248	1.0
130.05042	0.3
130.06575	0.3
133.06480	0.5
134.68192	0.3
136.07556	0.3
140.14330	1.1
143.01073	0.7
145.06485	0.3
145.07610	0.7
147.04427	2.6
147.09195	1.9
157.10031	0.4
159.09238	0.3
172.07257	0.3
173.07140	1.2
175.08702	1.5
176.37943	0.3
177.10225	0.8
184.07339	100.0
185.07681	0.9
191.08148	14.3
195.13811	0.6
196.14192	0.6
203.08151	0.3
205.09729	0.7
213.14911	0.5
214.15321	0.3
246.14967	0.4
267.15933	1.0
270.17752	0.7
271.10803	0.5
278.17532	0.3
287.18433	0.5
288.18787	1.4
289.11832	1.8
305.08554	0.3
307.12885	4.3
318.17557	0.2
325.13989	1.2
331.12793	1.7
344.21826	0.3
349.13898	1.5
397.13815	0.9
415.15109	0.9
432.21408	0.9
433.16077	0.5
450.25095	2.5
451.17297	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	450.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.01862	0.3
55.05500	1.2
56.05030	1.8
57.03416	0.8
58.06586	0.6
58.99578	0.8
59.62289	0.3
60.04508	1.3
60.08164	4.4
61.01139	0.5
67.05505	0.7
69.07056	0.9
69.39065	2.9
70.06593	13.3
71.04975	0.4
71.06943	0.6
71.07362	1.7
72.08152	4.7
73.02914	2.9
74.06066	0.8
76.02235	3.0
78.04698	1.2
79.05473	0.4
81.03417	2.5
81.07038	1.0
83.05001	0.4
83.06094	0.8
84.04499	4.3
84.08143	5.4
85.02898	1.1
86.09706	22.9
86.99041	0.4
87.02688	1.2
87.05635	0.4
87.10043	0.5
88.03996	0.5
91.05476	3.0
93.07028	0.6
95.04991	2.2
95.06078	0.4
95.08594	0.5
96.04486	0.4
97.02877	0.7
98.06078	0.5
98.09721	0.4
98.98452	1.2
99.05614	0.4
101.07151	0.6
102.05560	0.7
104.10740	26.8
105.07013	0.7
106.04176	0.3
107.04966	1.8
107.08594	0.4
110.07156	3.2
112.08685	0.5
115.08669	0.8
116.01672	1.4
116.07069	0.6
117.41730	0.3
119.08588	0.4
120.08102	3.2
121.06502	100.0
122.06816	1.1
124.99998	8.0
125.09644	1.6
126.05540	0.4
127.03911	0.5
129.10231	2.6
130.04959	0.5
130.08640	0.4
133.06433	0.3
136.07588	1.0
141.06595	0.3
141.10135	0.3
143.10674	1.4
143.11757	0.5
144.01146	0.9
162.02283	1.7
171.11307	0.3
179.04846	2.0
182.10106	0.4
184.07339	26.3
201.09468	0.6
201.41049	0.3
267.15872	0.4
285.12720	0.7
303.13763	2.5
375.15872	0.8
411.99231	0.3
432.21408	1.4
450.22607	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	450.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.8
53.03928	0.3
55.01879	0.2
55.53410	0.1
56.05024	0.3
56.40309	0.1
57.03408	0.2
60.08157	0.2
67.05502	1.4
69.03415	0.3
69.92262	0.7
70.06585	2.4
71.04988	0.2
72.08147	0.7
74.06059	0.2
77.03923	0.8
81.03411	0.5
84.04498	0.6
84.08138	0.7
85.02893	0.6
85.06544	0.2
86.06065	0.7
86.09691	1.4
88.59240	0.1
91.05476	0.2
95.04973	2.0
97.02853	0.2
98.97588	0.3
101.07175	0.2
104.10743	0.8
105.03388	1.3
107.04291	0.2
107.04960	2.0
110.07123	0.2
113.05993	1.9
116.07107	0.3
116.98649	0.2
119.04906	0.1
120.08075	0.4
123.04420	100.0
124.04758	1.0
124.99976	0.5
127.78907	0.1
129.10237	0.3
130.04988	0.3
131.07030	0.3
134.99666	0.2
136.07541	0.2
137.05965	0.2
147.07620	0.2
149.08102	0.2
177.00743	0.2
177.05530	0.1
184.07295	1.4
184.08504	0.1
192.13737	0.2
213.12390	0.3
231.13469	0.7
237.15857	0.2
275.04437	0.2
344.21899	0.3
345.13113	0.3
353.07242	0.2
427.18219	0.2
450.23169	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.2
66.04716	0.5
70.06586	0.5
70.74630	0.2
71.16434	0.4
78.98782	0.2
79.05482	0.5
85.02896	0.4
90.00078	0.2
90.10044	0.2
91.05456	0.5
92.29056	0.2
94.04173	2.6
107.04938	0.7
121.63986	0.2
122.02731	0.3
122.03633	6.0
137.05962	100.0
138.06316	1.2
237.05356	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61075	2.5
53.03929	11.5
55.01870	5.4
55.05502	19.2
56.96542	3.3
57.03426	13.1
57.07047	3.6
57.22952	2.7
61.02918	21.1
67.05492	34.4
69.03423	50.7
69.07065	29.7
70.06574	6.8
71.04971	8.9
71.59523	2.7
71.59912	3.7
72.08104	4.5
73.02899	11.8
79.05482	41.6
81.03412	20.6
81.07048	94.9
83.01317	2.8
83.04982	5.5
83.08601	11.9
83.36707	2.8
84.08134	4.2
85.02893	100.0
86.09693	4.4
87.04481	13.4
91.03944	6.2
91.05466	45.7
92.05794	3.2
93.07031	90.2
95.04970	16.7
95.08606	42.7
96.70647	3.1
97.02881	39.3
99.04444	8.4
103.05426	3.2
105.04433	3.0
105.07027	76.4
107.04941	33.6
107.07857	5.3
107.08587	98.6
109.02856	11.4
109.06506	8.2
109.10153	37.8
110.07161	3.5
115.03913	4.0
115.05409	3.6
117.06984	13.7
119.08562	57.9
121.06515	20.1
121.10126	50.2
122.06822	7.2
123.08087	4.0
123.11694	12.8
127.03896	26.1
129.06993	11.7
131.08553	26.4
133.10106	38.8
135.08022	3.6
135.11664	31.2
137.05890	3.0
142.07768	6.3
143.08546	21.4
144.09261	4.2
145.04987	15.4
145.10106	44.6
147.08099	3.0
147.11653	55.4
149.13260	13.4
155.08588	5.4
156.09309	6.3
157.10107	34.5
159.11679	55.1
161.13246	39.4
163.14845	5.4
169.10161	7.3
171.11671	24.7
172.84933	2.7
173.11873	4.5
173.13251	29.3
175.14815	25.0
183.11639	3.6
185.13243	22.2
187.14835	18.5
189.16423	9.1
199.14777	22.2
201.16356	20.8
203.17957	5.9
205.10367	3.1
205.15973	3.2
211.14888	3.9
213.16370	33.0
227.17931	13.9
229.19469	11.3
241.19678	3.2
259.61548	3.3
267.21051	3.5
269.22595	57.0
285.45441	2.9
287.23663	27.5
317.23016	3.1
344.22049	4.1
345.22531	3.6
363.23602	6.0
449.27484	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	9.5
53.70500	2.4
55.01854	4.3
55.05266	2.6
55.05506	32.3
57.03440	18.8
57.07084	16.1
67.05498	100.0
69.07061	40.5
70.04077	2.5
70.06562	3.2
71.04964	7.0
71.08620	3.9
73.02904	4.1
79.05486	83.8
81.03400	6.9
81.07053	86.0
83.04972	17.2
83.08620	13.9
85.02884	4.4
85.06531	7.5
85.10166	3.8
89.06007	8.8
91.05468	46.6
93.07034	93.1
94.07359	2.6
94.75758	2.3
95.04968	16.1
95.08601	26.4
97.06522	18.3
97.10155	11.1
98.98454	5.7
99.08089	4.7
103.05439	10.5
105.04478	3.1
105.07024	52.0
107.04906	3.0
107.08584	62.1
109.06524	5.4
109.10125	12.0
111.08080	9.7
113.00000	6.2
117.06993	16.8
119.08562	12.5
121.06506	6.6
121.10123	24.7
123.08027	4.5
123.11699	4.1
129.06981	3.9
131.08559	9.8
133.08548	5.8
133.10091	13.4
135.11682	53.5
137.09581	2.9
143.08589	4.2
145.10115	11.7
149.13239	31.5
156.56714	2.7
157.10072	4.0
159.11671	10.2
163.11151	7.4
169.02544	5.0
171.08029	3.7
177.12688	5.5
181.12212	7.3
191.08383	2.9
195.13791	11.7
206.10963	2.8
223.16232	3.0
249.12738	21.4
268.29889	3.0
293.01706	7.8
327.17358	16.4
337.26215	3.8
363.03369	3.6
403.16464	5.0
405.22079	56.4
420.17871	5.5
421.17606	31.8
422.17871	2.8
426.13541	3.5
439.18912	5.9
444.22714	2.6
448.81628	11.2
449.29285	55.7
449.82068	3.5
450.29684	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	449.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	9.5
53.70500	2.4
55.01854	4.3
55.05266	2.6
55.05506	32.3
57.03440	18.8
57.07084	16.1
67.05498	100.0
69.07061	40.5
70.04077	2.5
70.06562	3.2
71.04964	7.0
71.08620	3.9
73.02904	4.1
79.05486	83.8
81.03400	6.9
81.07053	86.0
83.04972	17.2
83.08620	13.9
85.02884	4.4
85.06531	7.5
85.10166	3.8
89.06007	8.8
91.05468	46.6
93.07034	93.1
94.07359	2.6
94.75758	2.3
95.04968	16.1
95.08601	26.4
97.06522	18.3
97.10155	11.1
98.98454	5.7
99.08089	4.7
103.05439	10.5
105.04478	3.1
105.07024	52.0
107.04906	3.0
107.08584	62.1
109.06524	5.4
109.10125	12.0
111.08080	9.7
113.00000	6.2
117.06993	16.8
119.08562	12.5
121.06506	6.6
121.10123	24.7
123.08027	4.5
123.11699	4.1
129.06981	3.9
131.08559	9.8
133.08548	5.8
133.10091	13.4
135.11682	53.5
137.09581	2.9
143.08589	4.2
145.10115	11.7
149.13239	31.5
156.56714	2.7
157.10072	4.0
159.11671	10.2
163.11151	7.4
169.02544	5.0
171.08029	3.7
177.12688	5.5
181.12212	7.3
191.08383	2.9
195.13791	11.7
206.10963	2.8
223.16232	3.0
249.12738	21.4
268.29889	3.0
293.01706	7.8
327.17358	16.4
337.26215	3.8
363.03369	3.6
403.16464	5.0
405.22079	56.4
420.17871	5.5
421.17606	31.8
422.17871	2.8
426.13541	3.5
439.18912	5.9
444.22714	2.6
448.81628	11.2
449.29285	55.7
449.82068	3.5
450.29684	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	449.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67577	2.8
55.05510	22.6
57.03437	56.7
57.07078	41.7
57.46297	2.9
57.85090	2.8
67.05506	51.5
69.07057	26.9
69.80397	6.3
69.80806	13.3
71.08626	34.1
79.05486	11.6
81.07065	47.4
83.08637	18.7
85.10171	14.8
91.05470	7.1
93.07047	7.3
95.08606	44.5
97.10167	10.0
98.21509	4.0
98.58010	2.8
98.98462	82.6
105.07039	4.6
107.08571	8.2
109.10156	19.8
113.00022	87.7
115.96215	3.4
116.99492	5.5
119.08561	6.8
121.10166	7.3
123.11699	6.8
133.10106	4.5
135.11633	4.4
136.99991	72.3
137.13261	5.2
154.94141	8.1
155.01045	100.0
163.14810	3.4
165.43387	2.8
169.02612	12.6
172.95230	32.6
190.96278	37.1
193.02606	17.2
195.96889	3.5
210.96759	4.0
211.03635	16.9
228.97844	12.9
239.23689	4.3
263.23679	7.9
313.27338	61.3
319.06052	3.5
337.27368	82.9
448.95248	3.4
449.19775	22.4
449.26593	65.7
467.20691	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	449.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	20.6
57.03438	42.4
57.07077	25.9
64.74304	3.0
65.37727	3.7
66.88059	3.5
67.05506	44.9
69.07063	24.1
71.08631	18.3
71.32529	5.6
71.32863	4.9
74.79436	3.1
79.05491	10.3
81.07051	33.7
83.08610	17.5
85.10178	8.3
91.05518	7.4
93.07043	12.1
95.08611	39.0
97.06543	3.8
97.10182	12.1
98.98470	54.9
105.07050	6.6
107.08623	10.0
109.10149	18.5
113.00018	100.0
121.10181	5.8
123.11713	10.8
133.10127	4.3
135.11719	3.2
136.99997	42.6
137.13167	4.6
149.13277	5.3
155.01054	52.1
161.13292	3.4
169.02632	15.0
187.03633	9.5
193.02576	5.6
199.34297	3.4
211.03708	7.4
239.23691	3.9
245.22662	7.6
263.23688	7.0
296.99844	3.3
313.27365	36.3
337.27432	89.7
365.49872	3.6
449.26538	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	449.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
55.01874	2.4
55.05511	10.6
56.05031	13.6
57.03423	2.6
57.05821	2.2
58.06613	2.1
58.99578	2.2
60.04525	4.7
60.08164	8.7
61.01150	3.4
67.05505	6.4
68.05017	2.5
69.07050	5.1
70.02934	2.2
70.06590	100.0
71.04996	2.2
71.06922	4.0
71.07359	4.5
71.58845	2.2
72.08157	42.4
72.93792	2.0
74.06062	4.0
76.02247	3.9
79.05495	5.5
81.03416	38.0
81.07050	5.4
81.16888	1.5
83.04993	2.9
83.06099	4.0
83.08617	6.5
84.04504	85.2
84.08145	48.8
85.02880	2.9
85.08467	2.2
86.06059	2.1
86.09705	74.0
87.05604	4.1
87.10066	3.0
88.03986	3.6
91.05496	7.1
93.07042	5.8
95.04972	11.1
96.04504	3.6
97.10139	2.8
98.06077	4.1
101.07130	10.3
102.05545	13.9
104.05329	4.0
104.10732	47.0
105.07031	3.6
107.04942	10.6
109.06499	2.0
110.07163	22.7
115.08755	2.0
116.07121	2.7
119.04922	2.0
119.08619	3.9
120.08089	16.1
121.06520	10.9
121.10139	2.2
124.99998	17.5
125.09601	3.7
128.07187	1.8
129.06825	2.3
129.10231	23.3
130.05003	88.7
130.10591	3.3
131.08533	3.0
133.06456	3.4
133.10112	3.0
136.07584	3.5
136.08575	1.8
138.12720	2.0
139.08685	1.8
141.06555	3.5
143.10698	5.1
143.11836	6.5
146.97479	1.9
147.07642	92.8
149.09650	3.5
150.07784	3.3
150.96892	2.3
157.10120	3.1
162.96950	2.2
163.01463	2.0
167.08186	2.2
169.13412	3.4
171.11314	3.2
179.04938	2.8
184.07339	55.4
186.96829	1.9
187.10951	2.3
193.10623	2.9
193.12230	20.3
198.96948	1.9
201.09618	2.8
211.13303	2.2
234.99042	6.1
250.14426	5.7
261.09033	1.9
263.13934	6.6
267.15900	11.3
268.15610	2.5
285.17059	5.0
287.05679	5.2
335.07910	3.4
431.14365	1.9
432.21304	4.1
450.22623	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	449.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	2.0
56.05033	5.0
57.03427	1.9
58.06597	2.0
60.04518	1.2
60.08165	11.9
65.21651	0.7
67.05495	2.9
68.05013	1.3
68.76935	0.6
69.07047	1.6
70.06593	22.3
71.06931	0.8
71.07355	4.3
71.58837	0.9
72.08157	6.5
76.02235	0.8
79.05486	2.5
80.79485	0.6
81.03420	18.8
81.07038	2.4
82.06552	1.1
83.04990	1.2
83.06100	1.1
83.08609	4.3
84.04504	33.8
84.06892	0.8
84.08147	9.9
85.02892	2.1
86.06046	1.0
86.09707	48.7
87.05580	1.0
91.05482	5.7
93.07023	2.9
95.04971	5.3
95.08603	1.3
96.04469	1.9
97.02893	0.9
98.06043	1.2
98.98464	2.9
100.15038	0.6
101.07133	2.1
102.05547	1.8
103.05498	0.9
104.05327	1.1
104.10745	56.7
105.07017	1.9
107.04944	4.5
107.08593	0.9
108.05318	0.7
110.07137	3.8
111.08058	1.5
112.07613	0.8
112.08743	1.0
116.01707	0.6
116.07071	1.5
119.08562	2.4
120.08112	6.7
121.02843	0.7
121.06509	1.3
121.10165	1.6
124.03963	1.0
125.00011	23.1
126.05522	1.4
127.08745	0.7
128.07108	0.7
129.06973	2.3
129.10246	3.8
130.05000	46.5
131.05293	1.0
131.08524	1.1
131.43782	0.6
133.06441	0.8
133.10146	0.8
136.07574	2.4
138.05513	0.7
143.11806	0.7
145.06079	0.6
147.07645	52.5
147.11633	0.9
149.09579	2.1
157.09967	2.5
159.07787	0.8
171.07614	1.4
171.11273	0.7
175.11194	1.9
184.07341	100.0
185.09229	0.7
187.10794	1.4
193.12244	10.2
204.13765	0.8
211.13225	0.8
250.14384	3.6
267.15881	6.4
268.24951	0.7
285.16925	2.3
287.05505	1.6
309.86639	0.7
345.05655	0.6
370.18179	1.0
373.13885	0.9
405.22263	1.3
419.03732	0.7
431.23947	1.0
432.21359	4.2
449.19833	0.9
449.25168	2.7
450.22528	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	449.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.7
55.01878	18.9
55.05510	11.3
56.05027	7.7
57.03437	5.3
58.65786	2.8
60.04526	5.6
60.08165	7.5
61.02920	9.4
67.05511	15.6
69.03438	10.2
69.07076	5.6
70.06210	3.1
70.06591	62.8
71.05001	15.7
71.06919	2.6
71.58340	3.2
72.08138	22.2
73.02901	5.0
79.05495	14.1
81.03439	10.1
81.07066	14.8
83.05009	4.4
83.08625	5.8
84.04504	14.2
84.08141	34.0
85.02914	11.7
86.09705	51.1
87.04461	7.7
87.05623	3.9
91.03941	4.2
91.05479	23.2
93.07041	15.6
95.04955	4.7
95.08603	6.6
97.02874	6.4
97.06527	100.0
97.10167	3.7
98.09701	8.0
102.05549	5.6
103.05447	3.6
104.10726	35.1
105.07009	5.8
107.04944	18.4
107.08590	8.1
109.10155	9.4
110.07169	12.1
112.08710	3.9
115.03942	3.3
116.07104	5.0
117.07033	3.4
118.90443	2.7
119.04963	5.7
119.08573	5.3
120.08104	22.2
121.06537	3.0
125.00005	8.7
125.09682	2.7
129.06822	2.5
129.10239	13.8
131.04951	3.4
131.08543	4.4
132.04387	3.4
133.06464	3.8
136.07576	5.2
147.04393	20.8
149.13280	6.0
157.09940	2.9
159.11667	4.2
168.22621	3.3
177.12801	7.7
184.07332	43.4
195.13817	34.6
213.14923	8.1
237.14873	5.4
269.17450	12.7
287.05618	31.5
287.12558	65.6
287.18500	90.5
288.12888	3.4
288.18420	2.9
302.11295	3.8
311.18555	4.0
419.85272	3.0
449.17700	70.2
450.17590	6.6
450.23889	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	449.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01868	11.5
55.05512	10.8
56.05022	3.3
56.96560	1.0
57.03438	5.1
58.87522	0.8
60.04518	1.7
60.08166	6.9
61.02924	4.4
67.05504	13.3
67.80561	0.8
69.03423	6.5
69.07069	4.9
70.06591	30.2
71.04992	15.3
71.06942	1.1
71.07369	2.8
71.21018	0.7
71.58621	1.1
72.08154	12.1
73.02909	1.7
74.06074	1.1
76.02238	1.2
79.05492	9.1
81.03426	5.8
81.07051	12.1
82.07363	1.0
83.04990	2.2
83.08600	4.8
83.63345	0.8
84.04508	6.4
84.08140	11.4
85.02903	10.0
85.06535	3.1
86.06046	1.2
86.09704	45.9
87.04484	6.4
87.05621	1.0
87.10053	0.9
88.03999	1.6
91.03957	1.7
91.05490	5.7
93.07034	8.5
94.06647	1.0
95.04977	2.8
95.08593	5.2
97.02919	5.1
97.06531	67.6
97.10155	9.5
98.06010	1.1
98.06809	1.0
98.09696	4.4
98.98466	2.4
99.04449	2.2
101.07146	1.4
102.05574	1.4
104.10741	2.9
105.07036	3.9
107.04967	6.7
107.07967	0.9
107.08604	5.8
108.00288	1.0
108.05249	1.1
109.02916	1.3
109.06495	2.0
109.10155	7.3
110.07167	4.3
111.08063	2.5
112.07562	1.0
115.08755	1.2
116.07096	1.5
117.07014	2.9
119.04964	1.8
119.08562	1.9
120.08121	10.3
121.02912	1.2
121.06497	2.4
121.10184	1.4
123.08094	1.0
124.99996	22.8
125.09624	5.2
127.03933	2.3
129.10237	5.3
130.04985	1.8
130.06528	1.5
131.08560	3.5
133.06482	2.2
133.10109	2.1
135.04375	0.9
135.08118	2.2
135.11694	2.5
136.07587	2.3
139.07558	0.9
139.11211	1.2
140.14310	1.2
143.11861	0.9
145.04996	1.1
145.73643	0.9
147.04402	3.7
147.11424	0.8
149.13283	2.2
159.09186	1.3
159.11702	3.0
159.76381	0.9
169.09729	1.2
173.13019	1.1
177.06825	0.9
177.12778	3.5
182.15428	1.6
184.07341	100.0
189.11195	1.9
191.08231	1.4
195.13820	28.9
201.12335	0.9
210.14873	1.7
213.14848	23.0
237.14822	2.6
246.14909	1.9
250.04094	1.0
252.70010	0.9
253.12277	1.1
259.08173	1.2
269.17477	23.5
287.05533	5.6
287.18518	61.4
288.18857	1.6
308.19354	1.3
311.18527	2.2
311.53345	1.0
337.21011	1.2
395.20700	1.3
431.30124	1.0
432.21811	1.7
449.19315	2.1
449.25305	1.4
449.31253	3.4
450.24411	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.8
55.01874	4.8
55.05516	17.5
56.96555	5.1
57.03426	7.5
57.07060	4.9
62.06081	3.0
67.05505	53.5
69.07066	21.1
69.86260	5.3
69.86672	12.0
71.04987	3.1
71.08632	47.9
74.09711	5.9
79.05492	45.6
81.03426	8.6
81.07054	53.7
81.82691	2.5
83.04984	13.0
83.08611	14.3
85.06538	4.0
91.05471	35.5
93.07050	55.0
94.96259	2.3
95.04972	11.8
95.08603	36.5
97.06523	8.8
97.10171	4.7
98.20846	4.9
98.98474	31.2
99.08099	35.4
105.07021	24.0
106.92030	2.7
107.04945	8.2
107.08587	32.4
109.06530	4.4
109.10182	17.3
111.08088	4.4
113.09653	5.9
117.07018	7.7
118.34064	2.4
119.08594	22.6
121.06565	3.0
121.10146	28.7
123.08094	5.1
123.11703	3.1
130.93201	2.3
131.08559	7.3
133.10130	16.9
135.11684	26.2
141.09157	2.9
143.08554	4.1
145.10098	5.3
147.11691	7.3
149.13272	9.6
151.11160	19.1
155.01053	6.6
157.10146	3.2
158.92188	2.5
159.11713	6.9
161.13278	14.5
163.11142	7.5
167.10738	3.8
171.11661	4.2
173.02029	3.9
173.13229	3.0
175.14856	3.3
177.12823	3.9
179.14311	97.5
185.13341	3.4
189.12729	4.0
199.15004	2.8
231.21191	2.9
235.16954	2.9
241.11188	3.2
241.19572	3.5
259.08276	3.5
259.20529	7.2
277.21613	64.8
303.87598	2.9
333.18829	3.5
333.24274	2.7
351.18915	13.0
351.25262	100.0
352.25510	3.4
369.19406	3.9
390.97708	2.7
449.25204	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	449.2063
Annotation	Obliquine
Peak:m/z	Relative Intensity
53.03941	0.8
55.01861	0.8
55.05503	2.4
56.05044	3.4
56.14489	0.7
57.03435	1.9
60.04515	3.9
61.01141	1.3
61.02924	0.7
67.05489	3.2
69.03443	1.6
69.07067	8.0
70.02950	0.7
70.06592	23.6
71.05008	1.2
71.06937	1.0
71.45821	0.7
71.58247	1.2
72.08155	7.7
73.02922	1.0
74.06071	1.5
75.05603	2.5
78.57742	0.7
79.05489	3.4
80.05828	0.8
81.03438	1.4
81.07057	3.7
82.07372	0.6
83.06122	1.0
83.08637	0.8
84.04504	4.3
84.08144	12.2
85.02918	3.2
86.06048	0.8
86.09705	100.0
87.05566	0.9
87.10045	1.4
88.03992	1.1
91.05481	4.8
92.05820	1.6
93.07040	2.8
95.04984	1.2
95.08600	1.4
97.02896	2.0
97.06533	1.6
98.21605	0.6
102.05561	2.1
103.05468	0.7
104.05329	2.7
105.07027	2.3
106.07372	0.8
107.04948	3.7
107.08617	1.6
108.05374	0.6
109.10119	0.7
110.07187	3.9
112.03961	9.7
112.08707	0.8
115.08742	1.0
119.08563	0.9
119.25916	0.6
120.08130	5.0
121.10148	0.8
127.04015	0.8
127.05046	0.8
129.06650	0.7
129.10211	4.7
130.04999	1.8
131.04984	1.1
131.08582	1.4
132.09023	1.1
133.03191	1.7
133.10114	0.8
136.07558	1.1
139.05042	1.9
141.06593	1.4
143.11797	11.0
149.13277	1.5
150.05852	2.1
158.97433	0.8
165.09106	0.7
169.06128	3.7
171.11388	1.4
173.12944	0.8
184.07370	2.6
195.13684	0.7
215.13898	0.9
224.13818	0.7
234.15656	1.1
234.99011	2.2
254.14960	4.4
263.14053	2.4
269.17383	1.5
272.16086	10.3
287.05542	1.3
300.15613	2.9
308.19366	5.7
317.06735	2.1
403.23505	1.0
444.44061	0.7
449.17838	1.2
449.24344	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	449.1076
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03939	0.4
55.01862	0.4
57.03426	0.8
61.02922	1.5
68.99793	0.7
69.03424	2.9
70.06578	0.4
70.15762	0.8
71.04976	0.3
73.02905	0.3
79.05515	0.2
81.03415	1.5
82.54289	0.2
85.02900	8.5
87.04465	0.6
91.03932	0.6
95.04958	0.2
97.02881	2.7
99.04472	0.5
105.03373	0.5
107.04941	0.6
109.02921	1.1
111.00797	0.9
121.02857	2.9
127.03896	1.8
130.46208	0.2
133.02849	0.6
137.02319	0.8
145.04924	1.3
147.04393	0.8
153.01813	4.8
157.06487	0.6
165.01817	2.1
169.06496	0.2
171.04330	0.3
183.02904	0.5
185.05975	0.6
213.05490	1.6
231.06470	0.7
241.04872	1.0
258.05289	1.2
259.06033	0.6
269.04697	0.2
287.05472	100.0
288.05801	2.7
400.34216	0.3
449.13306	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1074
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03921	0.6
55.01854	0.6
57.03435	0.9
61.02921	1.6
65.36024	0.1
66.27278	0.1
66.95121	0.1
68.99771	0.6
69.03066	0.2
69.03422	3.3
69.08337	0.1
69.59947	1.1
70.06567	0.4
71.04976	0.5
71.40009	0.1
73.02900	0.4
79.05470	0.2
80.09683	0.1
81.03415	1.6
83.01349	0.2
85.02899	9.1
87.04452	0.5
89.06003	0.2
91.03935	0.6
95.04963	0.1
97.02885	3.3
99.04431	0.5
105.03375	0.3
107.04960	1.2
107.61494	0.1
109.02854	1.0
110.58115	0.2
111.00784	0.9
111.04405	0.2
114.09175	0.2
121.01991	0.2
121.02851	3.0
124.03635	0.1
127.03074	0.2
127.03915	2.2
133.02849	0.6
135.04440	0.2
137.02350	1.1
141.06950	0.2
145.04938	1.5
145.06398	0.2
147.04416	0.7
153.01823	4.7
153.07506	0.1
157.06456	0.4
158.05968	0.3
165.01823	2.1
165.03090	0.2
183.02881	1.0
185.05959	0.6
197.05945	0.2
200.55388	0.1
203.07042	0.2
213.05466	1.4
216.32251	0.1
231.06461	0.9
241.04965	1.1
258.05237	1.1
259.05954	0.6
262.43448	0.2
269.04355	0.2
287.05469	100.0
288.05795	2.7
299.05496	0.3
308.41730	0.1
329.06750	0.2
353.06656	0.2
413.08731	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.01857	0.7
55.05505	0.3
55.99437	0.1
56.05017	0.4
57.03423	0.7
61.02921	1.5
67.05470	0.2
68.31581	0.2
68.99774	1.0
69.03081	0.2
69.03427	3.8
69.07044	0.4
69.09828	0.2
70.06584	1.5
71.01342	0.1
71.04987	0.8
71.25854	0.4
72.08150	1.2
73.02902	0.5
75.05569	0.2
79.05475	0.4
81.03411	2.1
81.07027	0.3
84.04476	0.6
84.08134	1.2
85.02898	9.9
86.03217	0.2
86.09698	5.7
87.04449	0.5
88.04024	0.2
91.03937	0.6
91.04977	0.2
91.05457	0.8
95.04948	0.4
97.02883	3.4
99.04446	0.7
102.05527	0.2
103.03929	0.9
105.03403	0.4
107.04945	4.7
108.05282	0.6
109.02877	1.5
110.07094	0.2
111.00785	0.7
112.03939	0.6
115.05427	0.2
116.07032	0.2
117.07022	0.2
121.02853	3.1
121.03752	0.3
121.06530	0.2
123.04417	0.9
127.03895	2.6
128.04271	0.3
129.07050	0.2
129.10233	0.4
130.06511	0.7
132.04430	0.2
133.02861	0.4
134.05919	0.2
135.04446	0.3
137.02327	1.0
137.12898	0.1
141.06757	0.2
143.11803	0.6
145.04964	1.8
145.06088	0.3
147.04373	0.6
148.07538	0.2
153.01814	4.8
157.06454	0.6
158.06003	0.8
161.05937	0.2
163.05959	0.5
164.06273	0.2
165.01804	1.9
169.06010	0.3
171.04434	0.4
172.37431	0.2
175.03870	0.2
175.08730	1.0
183.02895	0.9
185.05978	0.7
189.05373	0.2
208.13298	0.2
213.05426	1.7
217.04962	0.2
219.10251	0.2
221.09251	1.2
229.04968	0.3
229.08545	0.2
231.06558	1.1
241.04990	0.8
258.05176	1.2
259.05972	0.5
269.04382	0.3
272.16058	0.4
287.05472	100.0
288.05792	2.5
299.05457	0.6
300.15710	0.2
303.04929	0.7
311.05402	0.2
325.17630	0.2
327.13470	0.3
329.06406	0.6
395.06967	0.2
431.21762	0.2
449.17316	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1075
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03930	0.9
53.72786	0.2
55.01864	0.9
55.05516	1.2
56.05013	0.2
56.24238	0.2
57.03439	1.1
57.07047	0.3
61.02918	1.7
65.03944	0.2
67.05488	0.7
68.99789	0.7
69.03078	0.3
69.03427	3.9
70.06581	1.3
70.66056	0.6
70.66385	0.3
71.01334	0.2
71.04971	0.9
72.08125	0.3
73.02888	0.6
77.93552	0.2
79.05463	0.7
81.03407	1.7
81.07049	1.6
82.06556	0.5
82.12370	0.2
83.01340	0.3
83.04952	0.3
83.08604	1.1
84.04499	0.3
84.08138	0.4
85.02899	9.4
85.03426	0.5
86.06029	0.3
86.09700	0.6
87.04451	0.8
91.03947	0.5
91.05491	0.5
93.07029	0.6
95.04965	0.4
96.08120	1.2
97.02881	3.3
97.06544	1.2
97.10129	0.4
98.06047	0.4
98.09692	1.7
99.04430	0.8
100.07616	0.6
100.11238	1.2
105.03403	0.3
105.06990	0.3
106.07413	0.3
107.04945	2.1
107.08540	0.3
109.02882	1.3
109.03500	0.2
110.06009	0.7
111.00778	0.8
111.04443	1.1
121.02859	3.1
124.48860	0.2
127.03913	1.7
128.07056	0.5
129.05409	0.2
129.06828	0.2
133.02853	0.4
137.02330	1.1
140.80255	0.2
145.04955	1.6
145.06459	0.5
147.04384	0.8
149.13281	0.3
153.01819	4.4
155.08502	0.3
157.06412	0.5
159.08049	0.3
165.01840	1.8
180.13786	0.4
182.15387	1.4
183.02879	1.0
185.05966	0.7
195.13817	0.6
199.04065	0.2
206.11650	0.3
208.13289	0.5
210.14882	1.2
210.84987	0.3
213.05461	1.5
213.14822	1.0
223.14455	0.3
225.15939	0.4
229.08571	0.7
231.06573	0.8
241.04968	1.0
245.04671	0.9
246.14949	1.6
246.65094	0.6
254.13474	0.3
258.05231	0.9
259.05914	0.5
269.04242	0.3
269.17465	0.8
287.05469	100.0
287.18463	1.0
288.05841	2.4
299.05234	0.6
303.05020	0.5
305.06677	0.5
322.25064	0.3
329.06516	0.6
336.22638	0.3
337.21298	1.1
352.22211	0.6
354.23785	0.5
380.25461	0.5
431.30008	0.7
449.11563	0.3
449.19379	0.5
449.31189	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	449.1073
Annotation	Quercetin-3-Rhamnoside
Peak:m/z	Relative Intensity
55.01860	0.4
56.25518	0.3
57.03437	2.9
61.02913	0.4
68.99783	0.7
69.03408	1.0
69.52397	1.2
69.52818	2.1
70.06596	1.9
70.74747	0.3
71.04986	24.8
72.08136	1.2
73.02924	0.5
75.04472	0.5
79.05499	0.4
81.03381	0.4
83.04956	0.5
84.08147	0.9
85.02897	23.9
86.03201	0.5
86.09685	0.7
87.04461	0.5
93.03378	0.6
95.04969	0.6
97.06538	0.5
98.06043	0.4
98.21467	0.8
107.04941	2.5
108.05242	0.4
109.02853	0.9
111.00770	1.0
111.04446	0.6
120.08081	0.7
120.95088	0.4
121.02832	1.1
129.05469	5.1
129.10252	0.8
133.26697	0.3
137.02312	4.4
137.03290	0.6
145.06540	0.4
147.06447	0.6
153.01787	4.3
161.05995	0.5
163.03935	0.4
165.01805	1.5
173.05891	0.7
180.48540	0.4
183.02859	0.9
187.03835	0.5
201.05486	1.7
213.08856	0.4
229.04916	5.2
245.04546	0.5
247.06175	0.5
257.04419	2.7
274.04672	0.4
285.03854	1.4
287.05624	1.3
303.04962	100.0
304.05310	3.8
314.64655	0.4
315.04883	0.8
327.04852	0.5
345.06036	1.2
395.07578	0.5
413.08527	0.8
449.10748	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.3
55.05502	0.8
56.96562	0.2
57.03425	0.2
60.07232	0.2
61.02916	0.3
64.58298	0.2
65.03924	0.2
67.05498	1.1
69.03417	0.3
69.07053	0.5
70.06562	0.3
70.29803	0.4
72.08134	0.2
73.59914	0.2
79.05470	0.5
81.03405	0.4
81.07072	1.0
83.08585	0.4
84.08118	0.2
85.02872	0.2
91.05488	1.2
93.07043	1.2
95.04971	0.5
95.08601	0.7
95.51142	0.2
97.02883	0.3
98.21439	0.2
103.05479	0.5
105.07037	0.6
106.06566	0.3
107.04943	1.7
107.07345	0.6
107.08576	0.4
110.07141	0.2
117.05769	0.5
117.07040	0.2
118.06535	3.2
119.08580	0.4
120.08115	0.4
121.02857	3.5
121.06506	4.7
121.10101	0.3
129.07036	0.3
130.06546	0.9
131.07294	0.9
131.08492	0.3
132.08080	1.7
133.08853	0.3
133.10201	0.2
134.09706	0.3
136.07600	0.3
144.08073	1.1
145.08891	0.3
145.10080	0.3
146.09645	3.5
151.07602	0.4
151.09917	0.3
157.08890	0.2
158.09625	0.5
160.11246	0.8
162.09129	7.4
171.08029	0.2
172.11188	0.3
174.09149	0.6
174.12753	0.2
176.10706	4.9
176.12256	0.3
177.11432	0.6
188.10648	0.2
190.12254	7.0
193.12283	0.3
202.15881	0.4
204.13821	1.4
214.16017	0.2
218.15425	0.4
225.10294	0.3
228.17433	0.4
232.17075	0.5
236.16472	0.6
246.18582	0.7
248.16818	0.2
256.16971	0.8
258.18414	0.3
260.20102	0.6
274.17865	0.3
290.17279	0.2
292.19009	0.2
297.12280	0.2
304.19064	0.9
318.20724	0.6
320.22098	0.2
324.26813	0.5
332.22488	0.2
340.26309	1.1
342.20047	0.2
358.27603	0.3
368.25839	4.5
386.26868	3.5
404.27936	0.8
430.22067	0.3
430.29657	0.8
448.30569	100.0
449.18878	0.2
449.26208	0.1
449.30923	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	448.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16972	0.4
51.02391	0.4
51.77811	0.3
53.03941	1.7
55.01858	1.4
55.05506	4.6
56.05014	1.3
56.96544	0.7
57.03412	0.8
57.07061	1.0
61.02916	0.8
65.03940	0.6
67.05501	5.9
68.05004	0.4
69.03410	1.1
69.07064	3.2
69.63520	1.5
69.63930	0.8
69.99396	0.3
70.02964	0.7
70.06584	1.8
71.04966	0.9
71.08614	2.2
72.08147	0.4
73.02906	0.9
77.03903	0.6
79.05487	4.4
80.05007	0.7
81.03418	2.2
81.07056	6.5
82.06603	0.4
83.04968	1.2
83.08607	3.1
84.04479	0.5
84.08144	0.4
85.02898	1.0
85.06539	0.9
85.10184	0.4
86.09695	0.4
87.04447	0.7
88.11214	0.3
91.03935	0.5
91.05476	12.9
92.05798	0.6
93.07040	17.3
94.06563	0.9
95.04960	7.5
95.06104	0.3
95.08609	4.1
97.02867	1.0
97.06491	0.4
97.10155	1.2
98.06043	0.6
98.20773	0.7
99.08077	2.0
103.05467	10.0
105.04504	0.6
105.07027	3.2
107.04946	10.2
107.08598	2.5
108.05286	0.7
108.08094	0.4
109.06504	0.9
109.10152	1.9
110.07179	0.5
111.04523	0.4
111.08081	0.8
112.11275	0.3
117.07021	1.0
118.06526	0.5
119.04900	0.8
119.08590	2.2
120.08113	0.7
121.06499	100.0
121.10114	2.1
122.06059	0.4
122.06760	1.6
123.08060	0.5
123.11723	1.1
125.09621	0.8
126.12840	0.5
127.03892	0.5
129.06996	0.6
131.08553	1.5
132.08080	0.8
133.10152	1.2
135.08058	0.7
135.11742	0.6
136.07599	2.9
138.09142	2.5
138.12761	0.9
141.12811	0.4
145.06473	0.7
145.10136	0.9
147.08041	0.5
147.11693	1.8
147.89937	0.4
148.11028	0.5
149.09605	1.4
149.13208	0.4
151.07469	0.5
151.11166	0.8
154.12253	0.4
159.11710	0.5
161.09587	0.5
163.11180	1.0
165.12796	1.0
166.12297	1.3
168.13927	0.5
169.36211	0.4
175.11215	0.5
177.12778	0.8
180.13766	0.6
182.09732	0.5
182.15372	1.9
184.13333	3.5
190.08627	1.1
193.12263	0.6
196.11182	0.8
198.14879	1.2
200.16429	1.2
202.14482	0.6
206.38589	0.4
210.09137	0.9
211.13268	0.4
216.50763	0.4
223.13345	0.8
224.10760	1.6
226.12207	1.1
226.14288	0.5
232.16908	0.4
246.18498	0.6
258.18576	0.6
264.23245	0.8
272.12796	0.4
274.17987	0.6
275.20114	1.4
277.21619	0.7
278.17642	0.6
282.05743	0.9
282.24277	1.6
284.03717	2.7
287.05685	0.4
292.19183	1.2
292.22757	1.3
293.21078	6.1
294.21280	0.4
295.22729	1.1
296.03406	0.4
298.05209	2.3
300.19659	0.6
302.17599	0.9
304.19046	7.1
304.22253	0.6
306.20694	1.2
310.23779	2.1
311.22086	0.6
312.03265	0.8
314.04691	0.6
318.20563	1.8
320.18460	0.6
320.22089	0.9
322.20068	1.9
326.04694	3.5
328.24783	5.7
343.06375	1.5
344.05795	18.6
346.20197	1.2
367.07504	1.6
402.29996	4.0
406.59833	0.4
412.28220	0.7
430.29712	3.3
448.30609	61.6
449.11667	4.6
449.30991	4.4
467.12692	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31023	4.1
55.01861	7.5
55.05492	5.5
57.03428	7.8
57.78244	4.0
67.05485	10.4
69.03420	12.3
69.07071	10.3
70.06582	19.6
70.93803	9.4
71.04996	7.8
79.05479	25.4
81.03398	12.5
81.07052	19.0
82.03772	4.2
83.04971	17.0
84.04486	5.6
84.08137	5.1
85.02895	21.4
86.09705	9.7
91.05460	14.5
93.07059	24.6
95.04962	11.2
95.06071	4.2
95.08599	9.2
97.02876	7.0
97.06534	15.9
99.04445	9.3
105.07034	31.9
107.04955	34.0
107.08604	20.1
107.09223	4.9
109.06551	4.4
116.01675	4.0
117.06985	9.1
119.08571	8.8
121.06541	21.3
125.05989	26.2
128.64438	5.5
131.08522	8.6
133.06380	5.0
135.08086	4.1
135.11693	5.7
136.76413	4.1
139.07492	5.7
143.07060	23.3
145.06458	6.0
145.10121	47.9
147.11662	9.2
149.09636	5.3
151.03906	4.8
155.08585	15.9
159.11707	15.2
163.11172	100.0
173.09615	39.8
177.12810	4.5
183.08073	7.8
186.06721	8.3
187.11191	29.1
189.12755	6.1
191.10585	22.6
197.09622	6.1
201.09073	6.0
205.12224	16.7
211.22630	4.3
215.10680	25.8
227.12640	4.5
229.08595	84.0
233.11707	73.4
251.12794	23.3
257.08084	14.0
269.13794	7.5
287.05560	39.8
303.04977	26.3
305.99371	4.6
342.23770	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	448.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.6
56.05024	2.4
58.06602	2.0
61.02906	2.8
69.03419	2.5
70.06586	9.2
71.59906	2.2
72.08147	18.6
73.02921	2.3
73.08473	3.9
74.06073	11.7
75.06400	1.8
76.02229	3.3
79.05476	2.5
84.04504	4.4
84.08138	3.5
85.02884	3.7
86.06098	1.6
86.09686	6.9
88.03973	1.8
91.03945	2.0
91.05473	1.3
95.04960	2.5
96.08147	1.9
97.02873	3.3
99.05605	1.5
103.84074	1.3
107.04949	100.0
108.05278	4.6
109.06481	1.6
116.07059	1.3
123.04408	11.7
124.04823	1.2
127.03876	1.9
129.10249	2.1
133.06204	1.9
144.06541	2.1
152.10683	1.6
166.07405	1.3
169.09769	1.3
188.09068	1.1
188.11021	2.0
194.15382	9.0
202.01724	2.3
206.10146	1.3
215.10304	2.9
216.10577	2.0
216.14134	2.8
219.04350	4.0
233.14935	3.6
234.15273	2.4
236.07007	4.9
286.20074	19.0
317.15421	2.4
321.64178	1.8
331.16885	2.7
448.21634	1.0
448.25714	9.3
449.15698	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	448.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.9
52.41902	0.8
53.03938	3.4
53.09932	0.8
55.01864	2.5
55.05520	8.6
57.03237	0.8
57.03441	8.6
57.49082	0.8
62.06086	1.0
65.03925	2.1
67.05505	26.2
69.07071	6.1
69.49445	5.1
73.28053	0.8
79.05492	34.2
79.15925	0.9
81.03410	3.1
81.07056	26.6
83.04961	2.9
83.08599	2.9
85.06543	1.7
91.05481	47.3
93.07043	23.9
95.04961	9.3
95.08607	12.1
97.06504	1.2
97.10166	1.0
98.20689	1.6
98.98460	3.3
103.05460	2.6
105.04478	1.2
105.07030	34.8
107.04944	17.2
107.08593	10.3
109.06506	3.9
109.10136	2.4
115.05461	2.1
117.07016	14.3
119.08580	22.1
121.06522	6.1
121.10156	5.1
123.08024	1.8
123.11662	1.2
129.07024	5.6
131.08566	25.1
133.06477	2.5
133.10123	7.2
135.08028	4.0
139.25369	0.9
140.04704	0.8
141.06978	3.7
143.08569	2.7
145.06453	1.3
145.10101	8.9
147.08040	1.9
147.11693	1.0
149.09596	2.6
151.49437	0.9
155.00983	0.9
155.08571	3.5
159.11671	2.3
169.10144	3.8
171.11682	4.1
173.13245	4.3
187.11172	1.2
187.14824	3.8
189.12550	1.0
197.13277	5.6
205.15915	3.2
215.14381	4.9
233.15372	33.1
244.85721	0.8
251.16553	1.3
258.18512	0.9
276.19720	1.3
307.19040	100.0
308.19336	3.3
412.18845	2.6
430.20007	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	448.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.8
55.05511	6.9
55.45722	2.6
57.03431	10.5
62.06098	18.0
67.05508	35.1
69.07063	11.1
69.25323	2.9
69.32323	31.3
69.90475	3.0
70.06593	3.8
72.11906	2.8
79.05494	33.8
81.03418	4.2
81.07059	32.0
83.04971	3.2
83.08614	6.4
91.05488	55.1
92.05820	3.3
93.07056	29.4
95.04963	9.3
95.08612	17.0
97.06529	5.7
97.10181	3.2
98.98472	43.8
103.05450	3.6
105.07037	46.5
107.04950	18.1
107.08600	18.2
109.06506	8.1
109.10159	6.4
117.07044	21.9
119.08596	34.6
121.06536	5.4
121.10136	9.3
129.06999	13.1
131.08588	52.5
133.06487	5.0
133.10156	11.7
135.08067	6.1
141.06947	6.8
143.08597	6.9
145.10120	19.1
147.08058	4.6
149.09650	5.3
155.01041	15.2
155.08578	8.0
159.11664	3.7
169.10143	3.7
171.11687	11.2
173.02132	9.1
173.13298	12.1
187.14758	18.0
197.13312	23.9
205.15924	7.4
215.14342	40.9
233.15373	57.1
258.18677	4.1
276.19843	6.5
289.18076	7.1
307.19064	100.0
369.14630	10.5
374.17136	4.0
387.15918	16.0
412.18982	14.6
430.19943	51.8
448.30853	14.7
448.36038	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	0.8
56.05038	2.1
60.05625	1.3
69.03394	0.4
69.48646	2.9
70.06589	3.0
72.08155	3.2
72.87704	0.3
73.08464	0.8
74.06077	2.4
79.05457	0.6
83.06089	2.1
84.04483	1.1
84.08105	1.3
85.02901	0.4
86.09678	1.7
88.03998	0.3
91.05463	0.5
91.50250	0.4
95.04932	0.7
95.06055	1.0
96.04452	0.5
97.07626	0.5
98.07168	0.5
98.20691	0.4
99.05550	0.5
100.99672	0.4
105.03392	3.0
105.05762	0.5
106.06548	2.9
106.61316	0.4
107.04938	2.6
111.05570	7.1
112.08710	0.4
113.07104	1.3
118.06547	0.7
120.04466	15.8
123.04440	0.8
123.05518	1.3
126.05753	0.6
126.06632	9.6
127.07407	0.8
130.06476	0.7
132.04448	23.4
132.08037	0.6
132.10181	0.4
133.05214	0.8
134.06007	9.1
136.07533	0.7
137.04678	2.5
140.08167	1.2
144.06604	0.4
145.02835	0.5
145.03900	0.7
146.02327	1.1
147.04373	1.1
151.05005	0.7
151.06146	9.3
158.06015	0.7
161.07053	0.7
162.06654	0.7
163.03870	1.8
165.09090	1.1
168.08794	2.7
169.09798	0.4
175.08557	0.4
185.07152	0.6
202.09761	13.7
215.08289	0.5
215.13931	0.6
216.11328	3.0
230.09238	9.4
230.11514	0.5
231.07668	0.5
231.12433	1.4
232.10838	4.3
234.15245	0.9
242.09207	4.2
252.98169	0.5
257.10309	5.6
259.11893	78.0
260.12302	0.9
277.12955	2.5
284.11359	3.2
301.14026	8.2
302.12460	34.5
303.12762	1.0
319.15106	2.9
331.17120	0.4
360.16663	0.4
362.18179	1.4
406.17206	14.2
413.15530	0.4
422.74609	0.5
422.81653	0.4
430.18164	1.3
431.16769	1.0
448.19373	100.0
449.19894	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	448.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70377	1.1
53.03942	4.0
55.01871	2.3
55.05513	8.2
57.03439	7.6
62.13888	1.2
65.03933	2.1
67.05177	2.1
67.05505	26.7
69.07079	6.2
69.61791	8.5
70.06614	1.5
71.05010	1.7
78.44799	1.2
79.05064	2.3
79.05499	32.6
79.05959	2.0
81.03417	3.4
81.07058	26.1
83.04975	3.0
83.08614	2.5
91.05485	46.0
92.24342	1.1
93.07051	22.7
95.04959	8.7
95.08611	13.0
97.06542	2.7
98.21523	2.4
98.98484	2.0
101.71471	1.2
103.05471	3.1
105.07030	31.7
105.08107	1.4
107.04962	20.1
107.08570	9.0
109.06523	5.4
109.10168	2.6
111.08115	1.2
115.05437	1.9
117.07018	15.1
119.08575	18.0
121.06509	6.4
121.10152	5.5
123.08070	2.6
128.27097	1.2
129.07016	6.4
131.08582	23.7
133.06491	3.8
133.10133	5.2
135.08032	3.2
135.11693	2.1
141.06975	3.3
143.08557	3.1
145.06537	2.0
145.10150	8.7
147.08034	2.5
147.54311	1.3
149.09628	2.2
155.08557	3.7
159.11687	3.4
169.10127	2.5
171.11693	4.5
173.13266	5.2
187.14853	3.6
197.13271	4.7
205.15852	4.4
215.14351	5.5
222.25040	1.3
233.13226	2.4
233.15367	27.8
234.15781	1.8
249.58157	1.3
276.19833	1.7
297.40701	1.5
307.19037	100.0
308.19437	3.1
412.18811	1.7
430.19940	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54584	2.9
55.05506	9.5
57.03432	5.3
67.05508	46.5
69.07054	9.6
69.90543	19.1
79.05493	24.2
81.07058	44.9
91.05479	15.2
93.07034	30.4
95.04944	2.8
95.08607	40.6
96.77290	2.7
98.21424	4.1
105.07042	10.0
107.08582	17.5
107.43650	2.7
108.78170	2.4
109.10172	15.5
111.99268	2.5
113.00019	100.0
117.07074	3.5
119.08587	8.3
121.10155	14.2
123.11707	8.8
131.08598	7.4
133.10104	9.1
135.11687	10.2
137.13263	3.3
145.10132	6.1
147.11719	6.5
149.13252	8.0
159.11720	8.3
161.13284	4.9
163.14857	5.7
169.02620	24.9
177.16389	3.3
187.03697	11.8
187.14755	3.4
214.24156	2.7
225.69661	2.9
243.20923	7.1
250.43401	2.7
261.22147	23.4
317.24860	8.9
335.25800	73.4
336.26215	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	447.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.8
55.01858	12.0
55.05510	35.1
56.96549	14.4
56.99004	4.1
57.03444	21.5
57.07070	8.8
61.02919	12.4
65.03929	6.9
67.05501	100.0
69.03419	7.7
69.07068	49.8
69.86546	22.7
71.04968	6.6
73.02900	6.8
75.01382	3.8
79.05492	84.6
80.10854	3.9
81.03419	29.0
81.07053	86.8
83.05005	6.3
83.08607	17.1
85.02893	10.6
91.05479	69.4
93.07047	77.6
94.07320	4.8
95.04960	30.9
95.08604	58.2
97.02885	7.8
97.06510	9.7
97.10167	15.2
98.21472	7.4
101.94162	3.8
105.07036	48.5
107.04942	22.7
107.08589	53.2
109.06521	9.7
109.10157	34.1
111.08092	6.9
113.00005	81.8
114.69953	4.1
117.07003	29.0
119.04955	4.5
119.08569	23.6
121.06499	42.5
121.10159	26.8
122.06822	9.9
123.08067	4.3
123.11736	7.5
125.09628	9.2
129.06982	14.9
131.08557	34.5
133.06407	6.7
133.10118	25.9
135.08054	8.4
135.11659	24.2
137.09563	6.1
141.06946	5.5
143.08554	11.2
145.06462	10.1
145.10147	25.8
147.08104	4.9
147.11673	15.1
148.12001	4.1
149.13269	10.7
157.10143	8.6
159.08076	5.7
159.11708	21.5
161.13268	10.2
163.11182	11.2
163.14854	8.5
169.02591	44.4
171.11717	7.6
173.13237	9.4
177.12749	7.1
185.09566	4.8
185.13248	6.2
187.11234	5.3
189.11174	7.2
193.12193	9.3
203.14214	6.6
217.07378	4.9
227.12640	8.0
229.07449	5.8
235.54655	4.7
243.21082	19.7
247.08556	8.6
261.22092	22.1
269.10693	5.4
275.20102	8.9
287.11627	5.2
310.60614	4.4
317.02090	4.9
317.24518	7.0
331.15668	12.2
335.25748	84.2
337.21588	10.0
349.16812	24.5
355.22592	14.7
363.29825	4.5
367.18005	29.8
373.23581	7.6
378.12939	4.8
383.17654	7.2
387.12161	7.3
429.26895	19.3
447.27621	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.9
55.05503	20.0
56.96552	5.2
57.03436	20.0
57.07069	7.2
61.02917	6.2
61.67504	3.2
65.03906	4.8
66.72678	3.2
67.05499	72.9
67.05834	7.4
69.03407	4.0
69.07066	28.4
69.34692	6.5
69.35100	35.3
71.04972	4.4
79.05490	58.6
81.03410	17.1
81.07056	65.8
83.04975	6.9
83.08620	12.3
91.05482	40.0
93.07050	60.9
95.04964	16.3
95.08603	55.7
97.06532	8.7
97.10138	6.8
98.21487	9.0
105.07036	29.5
107.04946	10.1
107.08599	38.2
109.06539	4.9
109.10145	22.6
113.00009	96.4
117.07016	15.9
119.08564	18.5
121.06512	19.4
121.10119	23.0
122.06859	7.1
123.11739	6.4
125.09592	5.1
129.07005	9.4
129.79778	4.4
131.01042	5.6
131.08580	20.5
133.10092	16.7
135.08035	6.0
135.11664	24.0
137.04817	3.2
137.13258	7.9
145.10115	17.1
147.11626	8.2
149.13248	8.0
158.43079	3.9
159.11685	11.8
161.13235	8.2
163.11197	4.8
163.14812	13.8
169.02594	44.2
173.13278	8.1
187.03676	11.3
193.12292	6.6
243.21149	24.6
261.22116	29.5
275.19931	5.4
287.11578	5.2
303.16339	4.2
309.22577	4.1
317.24716	9.0
335.25751	100.0
344.54095	3.8
349.16827	10.7
355.22446	8.4
367.17828	9.0
378.13449	6.2
429.27325	4.6
447.28647	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	447.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
55.05507	9.8
57.03434	9.7
57.07061	4.9
65.03898	1.4
67.05497	34.8
69.07062	10.9
70.18014	5.2
71.04976	1.9
71.08614	2.7
79.05479	21.4
79.83124	1.3
81.07053	43.6
83.08621	4.7
89.06033	2.7
91.05467	9.8
93.07037	24.8
95.04987	2.4
95.06723	1.3
95.08596	28.0
97.10185	3.5
98.98444	2.7
105.07030	11.5
107.08588	15.4
109.10143	11.7
113.00011	77.4
117.07005	2.8
119.08537	6.9
121.10120	11.9
123.11711	5.6
131.08575	5.7
133.10130	5.7
135.11681	9.8
136.99968	1.9
137.13264	1.8
145.10115	5.4
147.11700	5.3
149.13257	5.8
155.01047	2.7
159.11732	4.9
161.13287	4.2
163.14815	3.4
169.02600	27.9
173.13261	5.1
175.14847	2.0
187.03616	7.4
187.14804	3.0
222.34758	1.2
243.21025	6.5
258.99326	1.3
261.22092	17.2
264.17331	1.3
273.01080	4.2
274.01953	2.4
277.00607	7.6
278.01443	1.8
287.99731	2.1
291.02087	31.1
292.02808	9.7
295.01599	1.9
305.03836	1.6
309.03104	6.1
311.25668	3.4
317.24835	7.3
317.27939	1.3
331.62650	1.3
335.25787	61.1
336.26245	3.0
365.14267	6.6
401.16708	16.1
419.17709	100.0
420.17868	6.8
424.18134	2.1
437.18832	34.7
438.19308	1.7
442.19434	15.1
447.24908	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	447.245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43836	0.9
55.05509	13.4
56.05029	9.0
57.03428	2.3
57.05799	1.3
58.06596	6.3
68.06299	0.8
69.90199	6.0
70.02943	2.2
70.06574	3.1
72.08152	100.0
72.45482	0.9
74.06077	65.0
82.06569	2.1
84.04501	7.8
84.08147	2.1
86.06065	1.4
86.09704	25.7
88.04003	5.3
100.07628	1.5
101.07142	1.8
105.35522	0.9
107.04951	3.6
110.06052	1.4
124.07635	1.4
124.11250	1.3
126.05493	6.2
127.08617	1.1
129.06572	1.9
130.05002	1.4
130.08633	0.9
131.37878	1.2
132.10201	16.7
138.05507	1.2
141.13832	3.5
142.08658	2.1
143.11800	2.8
144.06552	14.6
153.06555	1.2
154.04872	1.1
158.11763	2.3
160.43829	0.9
169.09717	11.5
169.13329	5.8
171.07596	1.9
187.10762	13.0
187.14372	6.2
189.08667	6.0
197.12816	5.8
215.10309	24.6
215.13837	25.3
217.08188	10.6
233.14949	47.1
234.15219	1.3
243.13406	2.9
284.16061	3.9
298.13910	2.4
316.15002	14.2
330.16547	20.6
339.20325	1.4
348.17593	3.6
383.22894	2.4
411.22217	4.7
429.23294	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	447.2486
Annotation	MC-207,110
Peak:m/z	Relative Intensity
54.09376	2.5
55.26427	2.6
57.07071	6.8
61.26358	2.7
67.05508	6.3
69.69948	15.2
71.08633	5.7
76.57317	2.8
80.02605	2.4
81.07057	5.4
85.10170	4.9
95.08601	6.6
96.42725	3.0
102.22449	2.9
113.00037	5.0
121.10043	2.4
127.90302	2.7
134.98161	21.1
149.02354	4.0
162.35629	2.5
183.65062	2.5
204.84227	2.7
209.01802	3.4
269.76154	3.2
313.27396	11.5
344.74515	3.0
429.23792	4.1
436.75720	3.2
447.24841	100.0
448.24896	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	447.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86357	2.7
51.51502	2.5
54.90264	2.7
55.05510	9.1
57.03430	11.4
57.07088	2.9
67.05167	5.1
67.05506	55.3
69.07069	9.9
69.89191	16.6
79.05493	26.7
81.07058	59.9
83.08620	5.6
91.05489	9.2
93.07040	38.7
95.08618	38.1
98.20843	3.4
105.07037	8.7
107.08603	23.9
109.10178	16.4
113.00019	100.0
113.66918	2.7
117.07024	4.2
119.08581	9.3
121.10138	16.2
123.11700	7.7
131.08534	6.8
133.10139	10.6
135.11696	12.4
137.13293	4.6
145.10118	6.0
147.11734	5.3
149.13261	7.6
159.11720	4.4
161.13272	3.9
163.14864	6.5
169.02596	19.5
173.13177	5.0
187.03603	13.3
243.21126	6.4
261.22177	17.8
293.60437	3.7
317.24728	7.0
335.25803	87.7
336.26044	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	447.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.8
53.11544	5.3
53.72596	5.7
55.01866	13.2
55.05503	33.9
57.03435	14.8
57.07073	9.2
61.02906	16.3
62.48638	5.9
65.03920	7.7
67.05493	63.4
68.99771	10.1
69.03425	99.9
69.07059	35.4
70.06587	6.9
71.04965	12.1
72.51382	5.5
73.02925	8.4
79.05488	57.2
81.03403	59.0
81.07043	76.2
83.04967	22.2
83.06116	6.2
83.08605	13.7
85.02905	59.7
87.00798	17.8
91.03933	7.6
91.05476	55.2
93.07030	73.1
95.04973	32.2
95.08598	86.7
97.02879	23.0
97.06525	10.9
97.10168	9.8
97.99953	5.4
99.04443	7.4
99.27434	6.6
105.07028	67.5
107.04961	28.2
107.08594	68.5
107.67894	6.2
109.02891	8.5
109.06485	10.3
109.10150	69.7
110.07139	7.5
111.04445	16.5
117.07010	23.7
119.08578	100.0
121.06484	19.5
121.10117	43.0
122.09637	8.9
123.04455	8.2
123.08021	16.5
123.11642	8.9
125.05928	6.0
125.09726	8.6
127.03901	18.1
129.01764	8.8
129.06966	28.4
131.08574	50.4
133.06477	11.7
133.10118	56.2
135.08061	20.9
135.11671	24.5
136.08710	15.4
137.09589	9.7
139.50238	6.1
142.07745	9.6
143.08545	27.2
144.09250	6.8
145.05078	8.6
145.06390	7.7
145.10109	69.0
147.07991	7.3
147.11685	32.5
149.02325	7.8
149.09602	12.9
149.13261	10.0
150.09137	53.9
151.07565	39.3
155.08546	9.1
156.09282	15.2
157.10120	36.4
158.10953	6.4
158.97519	8.7
159.07993	12.6
159.11662	82.3
161.09550	12.4
161.13216	33.9
165.09074	13.4
166.09531	6.5
167.08554	8.8
169.10115	20.9
171.11618	28.5
173.09622	12.0
173.13246	61.5
175.11139	8.9
175.14818	18.2
181.10048	9.3
183.11652	20.0
185.13239	27.4
187.11156	12.6
187.14796	19.2
189.09196	7.8
189.16331	9.5
193.12270	11.4
195.11658	9.6
197.13242	18.5
199.14841	17.0
201.12770	10.7
201.16391	15.9
203.14171	9.2
209.13251	13.9
211.14905	16.3
212.13936	6.1
213.16342	19.1
215.11226	26.7
215.17944	95.2
217.19431	29.3
223.14758	11.3
227.18021	35.0
229.19513	18.9
233.12302	11.8
234.98990	15.3
239.17932	16.2
241.19539	14.0
243.17432	14.1
245.18944	13.7
250.08621	21.5
253.12891	16.0
253.19666	8.3
257.18958	21.9
269.18753	8.4
271.13925	27.1
271.20505	20.6
275.20084	16.5
278.08197	39.9
283.20578	11.5
307.20566	15.3
310.10739	18.0
325.21509	51.6
342.60300	6.2
343.22552	61.9
355.22501	10.0
403.24677	12.7
411.21658	9.3
415.16623	9.5
429.22437	67.0
447.06964	9.5
447.23117	88.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2205
Annotation	Trp Glu Ile
Peak:m/z	Relative Intensity
54.51460	0.5
55.01859	1.1
55.05502	1.2
57.03432	1.4
61.02916	1.6
62.92208	0.6
67.05488	2.8
69.03423	1.4
69.07066	1.2
69.46696	4.6
70.06201	0.8
70.06590	17.2
70.37428	0.6
71.04996	1.0
72.08150	1.4
73.02915	1.7
74.06070	0.7
77.56108	0.6
79.05496	2.9
80.05016	0.6
81.03415	2.2
81.06644	0.5
81.07051	4.0
83.08586	0.7
84.04491	0.9
84.08155	3.4
85.02892	2.3
86.09710	7.1
89.79572	0.6
91.05438	1.8
92.96707	0.6
93.07037	3.0
95.04968	1.3
95.08598	2.6
97.02886	1.9
97.10131	0.7
99.08130	0.6
105.07019	2.0
107.04942	7.7
107.08586	2.0
109.06527	0.9
109.10144	1.6
110.07153	1.0
117.06971	0.7
119.01888	1.7
119.08620	2.9
120.08090	0.9
120.34093	0.6
121.02872	0.9
121.06491	1.0
121.10141	1.5
123.11719	1.0
125.09635	0.6
127.03875	0.6
129.10252	1.3
130.08633	0.6
130.20749	0.6
131.01851	0.7
131.04950	1.5
131.08577	1.2
133.06505	1.0
133.10097	1.0
135.11632	0.8
141.07079	0.7
143.01961	0.7
147.11601	1.9
149.02345	2.0
157.03551	0.7
157.06462	1.1
159.09166	1.2
161.03015	1.1
165.12732	1.2
169.06465	0.7
173.02977	2.3
183.15033	2.8
184.07387	1.2
190.07649	0.6
211.14467	1.1
227.03993	0.7
263.10687	0.7
275.07300	1.3
275.19980	1.0
285.17001	0.8
315.17899	1.5
335.09531	1.2
341.42078	0.7
348.10400	0.6
349.23889	0.9
361.02939	0.7
367.17789	0.7
447.21988	100.0
448.22250	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	447.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51460	0.5
55.01859	1.1
55.05502	1.2
57.03432	1.4
61.02916	1.6
62.92208	0.6
67.05488	2.8
69.03423	1.4
69.07066	1.2
69.46696	4.6
70.06201	0.8
70.06590	17.2
70.37428	0.6
71.04996	1.0
72.08150	1.4
73.02915	1.7
74.06070	0.7
77.56108	0.6
79.05496	2.9
80.05016	0.6
81.03415	2.2
81.06644	0.5
81.07051	4.0
83.08586	0.7
84.04491	0.9
84.08155	3.4
85.02892	2.3
86.09710	7.1
89.79572	0.6
91.05438	1.8
92.96707	0.6
93.07037	3.0
95.04968	1.3
95.08598	2.6
97.02886	1.9
97.10131	0.7
99.08130	0.6
105.07019	2.0
107.04942	7.7
107.08586	2.0
109.06527	0.9
109.10144	1.6
110.07153	1.0
117.06971	0.7
119.01888	1.7
119.08620	2.9
120.08090	0.9
120.34093	0.6
121.02872	0.9
121.06491	1.0
121.10141	1.5
123.11719	1.0
125.09635	0.6
127.03875	0.6
129.10252	1.3
130.08633	0.6
130.20749	0.6
131.01851	0.7
131.04950	1.5
131.08577	1.2
133.06505	1.0
133.10097	1.0
135.11632	0.8
141.07079	0.7
143.01961	0.7
147.11601	1.9
149.02345	2.0
157.03551	0.7
157.06462	1.1
159.09166	1.2
161.03015	1.1
165.12732	1.2
169.06465	0.7
173.02977	2.3
183.15033	2.8
184.07387	1.2
190.07649	0.6
211.14467	1.1
227.03993	0.7
263.10687	0.7
275.07300	1.3
275.19980	1.0
285.17001	0.8
315.17899	1.5
335.09531	1.2
341.42078	0.7
348.10400	0.6
349.23889	0.9
361.02939	0.7
367.17789	0.7
447.21988	100.0
448.22250	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	447.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.5
55.01870	10.6
55.05511	36.1
57.03434	15.9
59.73885	2.2
65.03922	3.3
67.05507	32.6
69.03420	3.7
69.07068	9.7
69.59993	17.7
70.06605	7.5
72.08150	2.6
79.05499	50.6
80.78963	2.2
81.03413	3.9
81.07061	31.3
83.04988	6.0
83.08617	9.1
84.08126	4.0
86.09741	3.5
91.05468	33.6
91.58047	3.0
92.65203	2.4
93.07046	30.7
94.73397	2.4
95.04967	9.0
95.08595	16.1
97.06539	3.0
97.10172	11.0
98.21532	2.8
98.98465	26.6
103.05464	5.8
105.07030	31.4
107.04955	75.5
107.08611	42.3
109.06540	6.7
109.10190	13.8
111.08062	3.2
115.05460	3.0
117.07020	18.8
119.08582	25.5
119.89007	2.5
120.08127	2.4
121.02869	8.1
121.06519	6.9
121.10162	8.3
123.11681	4.0
125.09624	14.3
129.06996	6.8
131.04948	8.2
131.08554	13.1
133.06445	5.2
133.10162	17.8
135.08073	4.8
137.09622	2.9
142.07712	2.6
145.06497	5.9
145.10086	13.0
147.08115	2.5
147.11687	8.5
149.02335	2.8
149.05992	6.6
149.09627	25.4
153.09145	11.9
155.08484	2.7
157.10136	3.5
159.08006	2.9
159.11766	8.7
161.13286	6.0
163.11261	4.0
169.12285	3.4
173.02200	2.5
173.13246	6.5
185.13306	5.9
189.11281	12.5
219.17435	17.4
227.12796	14.6
227.74461	2.8
229.19479	3.9
239.18071	5.4
247.20456	3.1
257.18921	13.5
261.09238	2.5
263.10770	3.9
266.53012	2.4
275.20074	87.6
293.53296	2.7
302.12012	2.6
349.23761	100.0
355.13306	3.0
447.17365	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.7
55.01861	15.6
55.05497	20.3
57.03431	49.8
57.07063	5.3
67.05504	56.3
69.07056	18.0
69.80353	21.8
69.80750	9.6
70.06604	7.0
71.04949	5.2
79.05494	54.9
81.03381	5.9
81.07065	44.9
83.08607	10.5
85.06532	10.1
91.05463	74.1
93.07043	57.9
95.04950	11.8
95.08591	36.9
97.06487	5.7
98.98463	50.0
105.06383	6.9
105.07028	70.7
107.04956	73.3
107.08592	33.9
108.05273	8.1
109.06508	14.8
109.10139	17.0
115.05467	4.8
115.37511	4.4
117.07007	25.7
119.08588	51.6
121.02861	7.6
121.06496	9.9
121.10167	22.4
123.08096	6.6
129.06975	11.9
131.04877	6.1
131.08548	34.4
133.06519	7.9
133.10170	25.0
135.08008	6.9
135.11725	7.4
143.08565	12.3
145.06520	8.9
145.10144	27.8
147.08096	4.6
147.11624	12.9
149.02299	17.6
149.09636	17.2
157.06470	8.4
157.10112	7.3
159.11679	26.2
161.13246	7.4
163.11185	6.5
163.60194	4.8
169.10017	5.8
171.11736	6.9
173.02074	9.5
173.13200	12.2
175.14761	6.5
185.13252	25.4
189.11252	4.5
190.07715	5.9
193.04984	6.4
197.13242	6.6
201.16409	9.6
203.14351	7.5
211.14786	4.5
215.14299	4.4
219.17436	83.0
219.59567	5.0
220.00381	4.9
235.07590	9.2
239.17993	8.2
251.06953	4.2
257.19000	21.8
275.20084	86.3
277.18106	5.1
291.10129	5.7
305.10291	5.6
306.21475	10.2
307.18988	6.1
331.22525	7.5
349.19812	6.5
349.23730	100.0
350.23801	6.1
355.13245	9.9
396.01785	4.6
399.15692	7.2
431.23752	4.8
445.76639	4.5
448.30664	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	447.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.7
54.12734	2.9
55.01861	3.3
55.05307	3.3
55.05514	36.3
56.96544	2.8
57.03432	22.1
60.60682	2.6
63.69189	2.7
67.05507	37.7
69.07059	12.3
70.06580	12.8
70.84240	2.7
71.04996	8.2
74.64060	3.3
79.05494	59.3
81.03397	2.9
81.07056	31.0
83.04968	5.1
83.08612	13.6
86.09706	6.7
91.05451	38.9
93.07038	30.9
95.04959	12.3
95.08584	14.9
97.10162	9.6
98.98470	27.3
100.11244	8.5
103.05498	3.3
105.07027	44.4
107.04954	100.0
107.08599	41.9
108.05276	7.5
109.06504	10.5
109.10158	19.1
110.07152	3.3
111.08056	4.4
117.07030	16.9
118.06532	3.0
119.04912	3.3
119.08575	28.5
121.02857	6.2
121.06506	8.9
121.10128	14.9
123.08067	4.3
125.09634	12.8
128.06174	4.1
129.07002	6.7
131.04930	8.9
131.08566	15.5
133.06517	8.0
133.10115	19.5
135.08063	8.5
135.11722	5.5
143.08568	7.6
145.06499	6.2
145.10150	15.8
147.04417	4.6
147.07951	3.8
147.11693	13.7
149.02365	9.4
149.09608	33.7
153.09097	10.6
153.49132	3.4
155.01024	4.0
155.08513	4.6
157.06508	5.8
157.10092	5.5
159.11696	12.9
161.13293	7.0
163.11122	4.3
165.07022	4.2
169.10170	3.3
171.11670	3.4
173.13345	4.0
182.15495	5.6
184.07431	3.6
185.13260	8.2
189.11177	17.8
203.14360	5.7
210.14851	8.2
219.08163	4.6
219.17377	20.3
225.09062	3.7
227.12836	15.2
229.19408	3.3
231.08139	3.7
237.09137	6.5
239.17923	7.0
245.09639	4.3
247.07390	3.4
257.18958	15.1
259.90372	3.9
263.10919	4.1
275.20074	90.4
349.23730	94.2
350.23923	6.1
355.13141	6.8
417.16617	4.4
447.17395	5.8
447.23523	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	8.6
55.05507	19.3
56.96589	5.6
57.03449	36.4
57.07061	3.7
67.05497	41.7
69.07076	11.4
70.11176	15.2
79.05494	47.9
81.07069	44.6
83.04971	3.8
83.08611	7.1
84.08155	7.2
85.06543	7.0
86.92507	4.5
91.05480	58.7
93.07039	52.7
95.04949	9.2
95.08618	37.4
97.06540	8.3
97.10194	5.0
98.98473	43.6
105.07037	48.2
107.04948	25.1
107.08601	30.1
109.06538	12.6
109.10102	10.0
117.07045	20.2
119.08580	46.3
120.68475	4.1
121.06576	4.8
121.10146	23.8
123.08054	5.9
125.09657	6.2
129.07021	10.6
131.08568	25.4
133.10112	27.2
135.08073	5.4
135.11716	10.0
143.08578	9.1
145.10124	21.5
147.11694	9.9
149.02324	9.4
149.13234	5.7
153.09094	5.6
155.01038	7.5
157.10176	8.9
159.11699	20.3
161.13292	7.3
163.11122	6.5
171.11601	5.4
173.13258	14.2
177.12738	5.5
183.11678	6.5
185.13237	19.7
197.13237	5.6
199.93341	4.0
201.16428	7.8
203.14412	10.0
219.17439	100.0
239.17871	7.2
250.08968	5.2
257.18961	18.3
275.20084	77.3
293.21075	8.1
302.90161	4.6
323.03748	4.2
349.23715	77.7
355.88037	4.2
447.31158	6.1
473.91461	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	447.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45143	2.8
55.05513	17.4
56.05013	6.6
56.96557	7.9
58.99577	19.7
60.04495	5.1
62.89360	3.7
64.21918	3.4
68.05013	4.9
69.07034	3.3
69.59347	25.7
70.02928	4.6
70.06583	30.2
72.00002	4.0
72.08150	23.8
73.02881	3.9
74.00647	11.9
74.06070	10.0
76.02212	14.8
76.03983	7.4
79.05503	8.3
80.04996	3.9
81.07043	24.6
82.05338	4.4
83.06089	14.3
83.08609	12.4
84.00460	3.3
84.04503	59.0
84.08129	11.8
86.06063	3.7
86.09699	47.5
86.99043	15.3
88.02213	8.4
88.03977	4.4
91.05762	3.5
94.06576	5.0
95.06052	4.6
95.08606	5.6
98.06029	9.1
98.09663	4.7
98.21273	11.7
99.05556	6.1
99.08077	7.9
104.05320	4.2
105.07012	11.3
107.04926	13.9
109.03978	8.9
110.07124	3.2
112.02189	3.2
112.07611	4.9
113.04224	3.8
115.03272	39.9
116.01664	66.8
120.08096	21.2
122.09644	29.1
129.06578	12.2
129.10219	5.6
130.05008	12.9
132.10210	3.5
139.77821	3.2
140.10695	77.5
142.03218	6.9
144.01146	29.5
145.06117	22.2
146.01230	3.4
149.02328	6.0
157.02911	4.8
160.02760	3.6
162.02188	100.0
171.07707	5.4
174.09430	5.7
179.04796	7.3
181.04312	3.9
181.06021	3.7
184.07242	10.7
191.01604	8.5
192.01933	3.9
198.09435	31.1
199.07118	4.1
201.03291	17.5
215.10289	6.1
215.12122	20.8
215.14003	5.6
217.08113	4.3
218.05943	22.9
226.06342	3.5
229.05022	6.1
233.15034	6.6
235.09286	4.6
272.06909	6.1
283.10980	6.4
284.07123	5.3
301.12143	44.6
312.04910	10.8
313.05212	9.6
318.14786	55.2
372.15891	30.1
382.18323	3.6
430.16275	3.9
447.13068	32.2
447.19046	24.0
447.24661	4.8
448.12805	6.7
473.22223	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.4
55.01861	1.4
55.05501	2.2
61.02925	1.1
65.03931	1.2
67.05493	2.6
68.48251	0.9
69.03422	3.1
69.07047	1.8
70.06255	1.2
70.06595	13.8
71.59055	1.4
72.08138	3.9
74.06065	0.9
76.02216	4.1
79.05495	5.5
81.03423	2.2
81.07064	2.6
84.04492	3.3
84.08161	7.0
85.02902	6.9
86.09710	15.2
88.04015	1.3
89.24922	1.1
91.05418	5.3
93.07044	2.0
95.04955	4.6
95.08578	1.5
97.02885	3.5
99.04446	3.7
100.04782	1.4
103.03949	6.4
103.05471	2.6
104.04254	1.3
105.07030	6.3
107.04956	100.0
108.05296	2.8
109.02847	1.5
110.07152	3.7
112.08720	1.2
115.05454	1.9
117.07034	2.2
118.06496	1.1
119.04913	4.3
120.08112	4.5
121.02846	4.2
121.06527	2.3
123.04433	1.5
127.03933	5.5
128.04253	3.5
128.06213	1.4
129.06972	3.4
129.10219	3.9
130.06496	1.4
131.04924	12.6
131.08540	2.1
132.08080	1.6
132.10168	5.1
133.06499	12.8
137.24818	1.1
141.06944	1.9
144.05580	1.3
145.04956	3.9
145.06459	4.7
145.07486	1.2
147.08037	1.6
149.02348	4.7
149.06020	3.3
149.76273	1.2
155.08287	1.2
156.57526	1.0
157.06432	6.6
159.08006	1.4
159.09192	1.8
163.06026	4.7
164.06288	2.1
164.98528	1.1
165.07039	1.7
167.08403	2.1
168.05782	1.1
169.06445	3.3
171.08118	1.4
172.07930	4.2
179.08582	1.3
181.06506	2.6
183.08086	2.4
184.07327	2.5
188.06981	3.5
205.10001	1.2
207.08122	2.0
210.06725	1.6
213.09064	2.7
218.08481	2.4
221.09740	1.4
225.09105	4.3
231.08037	1.8
233.09734	1.7
235.11115	11.5
237.09146	5.1
245.09482	2.1
247.08046	1.6
249.09183	2.3
251.07254	1.4
251.10637	1.7
255.10411	1.4
256.08841	1.3
257.09601	1.5
258.10657	1.2
261.09119	3.9
263.10675	3.2
266.06439	1.0
275.10754	6.1
287.10736	3.3
289.12253	1.7
317.11484	1.4
335.13062	1.8
341.15192	1.1
361.02417	1.3
366.12646	1.4
381.14905	2.5
393.14349	1.3
399.15900	3.4
411.15979	5.9
429.16971	3.6
447.16696	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01875	1.5
56.83388	0.7
57.03432	0.7
65.03936	0.8
65.51595	0.7
67.05501	0.9
69.07074	1.1
70.03370	2.0
70.03777	1.8
70.06570	1.8
72.08143	1.2
79.05505	3.5
81.03460	0.7
81.07040	2.0
83.08590	0.9
84.08130	1.2
86.09706	2.1
87.05424	0.8
91.05459	5.0
93.07021	3.4
95.04961	3.8
98.98456	1.0
103.05485	7.1
105.07042	2.3
107.04955	100.0
108.05283	1.8
115.05465	2.7
117.07023	2.8
119.04951	2.9
119.08604	1.1
120.08054	0.9
121.02895	1.4
121.06502	7.3
128.06238	1.3
129.07001	5.3
131.04926	19.2
132.05708	2.8
133.06502	6.4
141.06964	1.9
145.06487	18.2
146.45245	0.7
149.02356	1.2
149.05992	10.2
155.04871	1.2
157.06494	10.6
159.08043	1.1
161.06090	0.7
165.06972	0.9
169.06480	8.9
173.06047	1.5
175.07573	0.7
178.07861	0.7
181.06464	1.1
187.07590	1.0
189.06976	1.4
190.07806	2.8
191.08458	0.9
193.47345	0.7
195.07983	1.6
202.07790	2.1
203.08578	3.3
205.10158	1.9
207.08145	1.8
215.08530	4.1
217.10272	0.9
218.05354	0.7
218.07190	4.1
219.08047	2.6
220.08888	2.7
221.05916	0.8
223.07535	2.0
225.09247	2.3
231.08115	2.8
232.08798	1.2
233.09642	5.7
234.06653	0.8
235.11221	2.8
236.08397	2.1
237.09102	2.6
243.07932	0.7
244.08989	0.9
245.09677	3.0
247.07570	2.3
247.11319	0.8
248.08401	1.3
249.09029	1.8
250.09808	1.5
251.10725	11.0
261.09079	11.0
262.09927	0.9
263.10669	11.5
275.10654	5.2
275.20035	1.7
281.11786	1.0
287.10785	2.0
299.10120	0.7
349.23679	1.5
361.02377	0.9
381.14954	1.5
411.15625	0.9
447.21097	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	447.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.8
55.01866	1.2
55.05496	1.2
56.05024	2.4
57.03448	0.9
58.99582	6.3
60.04519	3.3
67.04231	2.5
67.05509	0.7
67.55930	0.6
69.03426	3.0
69.07047	0.8
70.02946	0.9
70.06589	18.4
70.83326	0.9
70.83679	1.1
71.04984	0.8
71.06918	0.6
72.08155	6.9
73.01149	0.9
73.08516	0.7
74.00662	1.3
74.06097	1.1
76.02222	28.8
76.03999	1.5
79.05488	1.3
81.03419	1.4
82.06567	0.7
84.04506	5.3
84.08140	8.6
85.02894	7.0
86.00658	1.8
86.09701	8.8
86.99046	2.5
87.05572	0.8
87.10029	0.8
88.02222	1.4
88.03976	1.1
91.05782	1.7
95.04955	2.2
96.04497	2.0
97.02879	2.3
98.06062	0.9
99.04431	1.0
100.02194	62.7
102.05540	2.3
107.04949	100.0
108.05260	1.1
109.02841	0.6
110.07150	2.9
110.99040	0.9
112.02184	1.1
112.03972	0.7
112.08711	0.7
114.03757	0.7
116.01671	12.4
116.07140	0.7
118.03231	3.6
118.03989	0.7
120.08084	2.1
125.69465	0.5
126.03737	0.8
127.03945	1.3
128.01678	0.5
129.10234	4.0
130.05019	2.0
132.01140	0.7
136.07576	1.2
138.72000	0.6
141.10262	0.5
142.03250	2.1
144.01138	5.4
149.02365	1.0
154.03163	0.9
154.05025	1.0
155.08144	0.9
157.04298	2.3
158.02681	2.9
162.02187	17.9
162.07547	0.8
166.03288	0.6
170.02621	0.9
173.12857	0.7
175.05380	2.0
179.04845	41.9
180.04716	0.6
189.03317	3.3
189.29407	0.6
193.67661	0.6
202.05231	0.6
202.19205	0.6
203.04845	34.8
221.05894	18.3
230.05443	0.6
230.07639	0.6
245.05946	1.7
257.05902	8.9
268.06238	1.0
269.05878	2.0
285.09201	1.6
287.06955	1.5
305.07996	5.6
306.19897	1.0
323.08951	0.7
327.10089	2.5
341.10089	11.6
385.16306	0.7
399.80655	0.6
447.15680	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	446.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05799	1.9
53.03944	4.5
55.05509	5.2
56.05029	6.7
57.03424	4.6
60.04513	2.2
61.01147	1.8
62.15338	2.0
67.05506	8.3
67.93353	2.0
69.03435	11.5
69.07040	2.2
70.06594	32.6
70.51431	7.5
71.04982	5.2
72.08157	11.9
73.02917	4.2
74.06059	3.4
76.02225	3.3
77.98108	1.7
79.05472	6.6
81.03411	14.7
81.07046	5.8
82.06602	2.2
83.04965	2.2
83.08589	3.0
84.04508	9.7
84.08118	17.1
85.02910	63.7
86.09702	32.6
87.10014	2.8
88.03983	3.3
91.05809	8.2
93.04511	2.2
93.07033	6.7
95.04976	5.6
95.08622	3.8
97.02895	26.5
98.98466	2.8
99.04455	34.4
102.05519	6.1
103.03941	78.8
103.05457	2.5
105.07030	10.3
107.04948	33.0
109.02872	16.1
109.06503	2.2
110.07150	7.4
116.01662	3.0
119.04904	3.1
119.08548	2.9
119.59683	1.8
120.08101	8.2
121.02894	2.9
121.06503	2.6
122.02801	2.1
123.04464	2.8
127.03918	100.0
127.05812	4.3
129.06975	2.8
129.10255	8.9
132.10156	2.9
133.06476	7.0
136.07552	3.3
138.17477	2.0
143.08614	2.6
145.04964	55.4
145.06165	3.3
157.06482	2.4
159.07997	2.3
163.06023	60.4
167.05524	4.9
169.06496	2.9
173.13025	2.2
184.07358	5.1
187.05974	6.4
188.07101	2.2
201.12361	2.3
205.07140	3.6
214.12659	3.1
235.11148	4.2
249.23567	2.8
271.08093	6.4
276.12650	2.1
289.09235	4.3
289.17966	6.9
299.14230	9.6
307.10205	8.0
307.18982	2.8
348.22656	2.4
360.02841	4.1
391.57782	2.4
446.19995	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	446.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.3
56.05026	1.0
59.04999	7.4
60.04520	1.1
63.63842	0.6
67.05498	1.5
69.03411	2.1
69.07062	1.0
69.49837	6.1
70.06586	6.8
72.08142	3.7
72.89748	0.8
73.02919	1.0
73.06552	1.8
74.06076	0.9
79.05486	2.5
81.03419	4.4
81.07059	1.4
83.06091	0.7
84.04481	4.1
84.08155	3.3
85.02897	2.3
86.06062	1.2
86.09705	6.4
87.04464	34.0
87.05571	1.1
87.10029	0.9
89.06028	74.8
91.05447	1.5
93.07038	1.3
95.04964	2.1
95.06109	3.2
97.02862	0.8
97.06506	1.1
98.06079	0.8
98.21536	0.6
102.09159	1.2
103.03937	100.0
103.07578	2.4
105.07027	0.9
106.10443	0.6
107.04950	19.2
107.07086	4.7
107.99388	1.8
108.05284	1.2
110.07171	1.5
111.86498	0.7
112.08772	1.0
112.98216	0.6
115.08640	0.6
119.04955	0.9
119.07059	1.3
120.08113	3.8
121.02850	1.5
121.04934	1.5
121.06482	0.7
121.08609	2.5
121.10099	1.0
129.10242	1.2
130.04997	3.5
130.08594	0.9
131.07040	8.8
132.04453	0.7
133.08600	43.5
135.58427	0.6
136.07599	1.0
145.10123	0.7
147.04465	1.1
147.06517	9.0
149.09595	0.8
163.09668	3.4
165.07617	1.0
175.09671	5.3
177.11212	15.3
191.09155	5.0
193.12248	1.9
207.12210	2.8
211.02078	2.9
219.12025	0.7
221.13879	2.9
228.13364	0.8
233.14871	0.7
235.11894	4.4
238.23300	0.6
239.14890	1.8
279.14575	0.9
283.17334	1.3
285.07532	0.9
297.18961	0.8
317.06418	0.8
340.22089	4.0
360.03000	0.7
383.22733	1.2
411.21515	0.7
429.23184	8.3
446.19690	0.7
446.26630	3.3
447.18259	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53569	1.8
60.04506	4.1
66.16074	1.8
69.03420	5.0
70.06585	11.1
71.59236	3.8
72.08146	13.0
73.02943	1.7
74.06076	5.2
79.05472	3.4
81.07036	2.2
82.06574	1.8
84.04498	3.2
84.08126	10.6
85.02884	7.1
86.06044	2.7
86.09715	10.1
95.04958	4.9
95.06077	6.5
97.02914	4.4
98.06030	3.6
105.07014	3.7
107.04946	100.0
107.08614	2.1
108.05258	4.4
108.08079	8.5
109.06521	8.3
110.07097	2.5
121.06472	3.3
123.04408	4.1
129.10228	3.3
131.04901	3.0
132.10153	2.9
133.06480	9.3
148.07556	13.4
149.07924	4.9
150.09125	16.6
178.10747	3.4
188.09134	5.1
198.27896	1.6
204.08659	3.5
204.91861	1.9
206.10291	26.9
209.26053	2.2
234.10704	1.7
234.14410	2.9
266.17636	2.3
266.20328	1.7
279.92166	1.7
284.14835	5.8
446.20215	3.7
446.28372	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	446.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91048	3.6
55.01839	4.8
55.05496	6.9
56.05025	11.1
60.04517	8.4
61.01143	4.1
67.14906	4.3
69.07056	6.0
69.58619	32.3
70.06596	100.0
72.08160	55.0
73.04758	4.2
74.06090	5.0
76.02238	6.4
79.05506	6.8
81.07056	3.9
84.04501	19.2
84.08143	61.8
85.02876	9.6
86.06061	7.7
86.09705	69.9
87.05584	10.6
88.03999	3.9
91.05826	23.8
91.49220	4.1
92.63441	4.2
95.04974	4.4
98.20766	4.1
100.02203	5.0
101.07132	4.5
102.05537	8.5
104.10748	5.6
107.04956	98.9
109.06519	4.4
110.07195	29.5
112.08753	6.2
116.07042	5.9
118.84810	4.1
120.08100	11.6
129.10239	38.0
130.04918	6.4
133.06470	8.6
136.07591	6.5
137.00754	4.8
140.69363	4.3
141.10202	5.1
145.06163	5.2
148.07541	10.6
150.09183	8.4
156.07727	5.5
167.05615	6.9
184.07339	6.6
206.10236	19.5
206.24246	4.0
216.05141	4.7
360.02853	12.2
384.16428	5.0
446.16168	40.7
446.25650	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	446.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97272	1.6
55.39413	1.5
56.05024	2.6
60.04530	1.9
69.03403	2.0
70.06583	4.7
70.26031	4.3
70.26414	4.4
71.04980	1.9
72.08122	3.7
76.03986	9.1
77.10887	1.5
77.53513	2.0
79.05493	2.2
83.06101	2.7
84.04502	32.0
84.08138	8.2
85.02905	4.5
85.04024	31.9
86.09708	4.9
88.03984	2.8
91.05796	7.7
95.04986	2.3
99.05580	6.1
102.05521	1.9
107.04948	77.3
107.06038	3.2
109.07622	2.5
110.06038	3.7
113.03487	13.1
116.46254	1.6
127.05059	3.0
128.03418	3.0
129.06606	2.9
129.10266	2.3
130.04982	12.1
131.04515	63.0
132.06528	2.5
134.06020	2.9
136.75024	1.8
137.05966	2.5
145.06113	6.5
146.06073	4.4
150.03740	10.3
150.05444	3.4
151.02078	4.0
153.06598	8.0
155.01636	8.7
155.08144	6.5
161.00600	3.8
162.05539	7.1
163.03867	4.1
163.06247	5.3
167.05516	2.4
178.01622	2.6
178.03214	52.9
178.10747	4.0
179.01605	15.1
179.03972	5.3
181.06108	11.7
189.00046	16.5
193.02786	32.9
194.30785	2.0
196.04271	70.8
197.02737	3.7
199.07219	8.6
207.01076	4.9
211.03816	81.7
221.11809	2.5
225.02249	2.2
235.05463	4.5
256.09323	3.8
262.05295	3.6
265.04935	7.3
277.04822	2.8
281.05902	100.0
282.04361	8.1
294.63419	1.7
299.06995	35.0
317.07980	3.8
322.06992	6.3
329.27319	2.0
340.08047	5.1
340.12186	3.4
340.15994	3.1
353.07889	13.7
371.09048	3.9
428.11304	9.5
446.12225	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	446.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
53.84592	0.3
55.01865	3.2
55.05513	0.4
56.05031	1.5
60.04506	0.6
67.05494	0.6
67.37852	0.4
67.47276	0.3
69.03414	0.7
69.07056	0.5
70.06586	3.7
70.77740	0.8
72.04498	0.4
72.08138	1.3
72.91212	0.4
73.02878	0.4
74.00659	6.1
76.03983	2.1
79.05486	1.0
80.04974	0.4
81.03398	1.0
81.07057	0.6
83.06080	0.5
84.04497	22.3
84.08131	1.6
85.02901	1.7
85.04014	1.8
86.09695	3.4
87.04450	0.6
89.06018	0.7
90.96745	1.5
91.05478	1.1
92.01681	0.7
93.07026	0.5
95.04964	2.2
95.06084	1.5
97.02891	0.7
98.06030	0.3
102.05537	0.9
103.03919	0.5
105.07005	0.6
107.04946	100.0
107.99390	41.9
108.05276	1.2
109.02850	0.4
110.06030	1.1
110.07159	0.6
112.03951	4.3
112.08730	0.7
113.03510	0.4
113.07034	0.3
120.08091	0.5
120.47232	0.3
121.02856	1.0
121.06434	0.4
121.10143	0.4
122.03197	0.9
122.06010	0.6
127.03879	0.5
129.06697	0.4
129.10207	0.8
130.04993	48.6
131.04539	1.3
133.06462	0.6
133.08618	0.4
135.98849	1.2
136.07510	0.5
137.05971	0.4
137.09621	0.4
139.02130	1.2
140.07053	0.9
145.04871	0.4
145.06026	0.4
147.07605	1.1
155.08112	0.7
156.06548	1.8
160.00667	0.8
169.06181	0.4
174.00423	4.9
177.00810	0.4
177.03285	6.5
181.06032	0.4
182.08109	0.5
183.02457	0.4
185.03755	0.4
199.07091	0.6
201.99904	2.3
202.08275	0.4
211.02046	58.8
214.03529	3.7
215.13733	0.4
225.73106	0.4
236.09241	1.9
237.02863	0.4
243.13350	0.4
245.98781	0.3
248.00452	1.9
265.03094	20.6
277.03091	1.0
277.31360	0.3
288.06732	0.5
293.18555	0.4
300.03598	0.4
317.06204	11.8
318.06577	0.4
319.61206	0.4
323.03741	0.7
340.06348	2.5
340.22247	1.8
371.07162	0.9
408.37885	0.5
428.09439	0.6
429.08017	0.7
446.10397	1.2
446.26889	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	13.3
67.05501	20.9
68.32538	7.9
69.07085	16.8
71.37410	8.0
72.58712	8.0
79.05527	14.4
81.07053	34.3
83.04986	11.6
83.08634	10.1
92.57332	9.0
93.07005	18.3
95.08615	31.8
98.21521	19.9
105.07038	14.0
107.08612	23.8
109.10165	16.3
119.08572	24.1
121.10178	10.8
123.11716	7.9
131.08525	13.2
133.10223	9.1
137.09671	11.0
143.08586	10.2
181.10147	10.7
181.77724	7.8
185.59970	8.3
202.59578	9.2
213.16333	13.9
228.32913	8.5
231.17484	68.4
248.90733	8.4
249.18481	100.0
354.68677	8.6
375.30365	10.1
411.36340	13.7
427.35767	12.8
445.29163	19.7
445.36548	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	445.3678
Annotation	Nebrosteroid D
Peak:m/z	Relative Intensity
53.50212	4.8
53.77717	4.6
55.05506	21.8
57.03439	8.7
57.07078	23.7
67.05499	20.9
69.07063	50.4
70.78066	9.8
70.78442	9.1
71.04990	5.6
71.08626	16.3
79.05497	13.2
81.07043	28.6
83.08614	18.2
85.10172	10.7
91.05473	20.2
93.07054	37.4
95.04960	10.3
95.08617	45.3
97.06570	5.4
97.10181	13.6
98.98465	39.5
105.07055	46.4
107.08595	22.2
109.10171	16.0
117.06992	12.6
117.90445	5.7
119.08556	25.7
121.06521	11.7
121.10177	11.7
123.08046	5.0
123.11706	9.3
123.70099	4.6
124.45422	4.4
129.07016	5.5
129.91840	5.5
131.08569	28.8
131.87582	4.7
133.10129	15.2
135.08058	10.0
135.11665	13.4
143.08568	9.1
145.10115	18.6
147.11700	9.6
149.09546	7.2
149.13322	5.4
155.01082	29.5
155.08574	21.3
157.10149	14.8
161.09671	7.0
163.11169	10.0
163.14781	5.1
169.10139	6.9
171.11751	5.8
173.13234	5.6
183.04208	37.8
185.13278	5.1
195.11836	5.3
209.11736	12.4
219.47672	4.5
220.03407	4.8
227.14339	6.0
231.13823	6.9
237.16408	7.5
269.19095	6.4
317.28439	9.8
319.26324	13.1
391.33566	6.5
409.34653	100.0
427.35806	61.7
445.36832	22.0
456.41635	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	445.3675
Annotation	Topsentisterol C4
Peak:m/z	Relative Intensity
55.05515	30.2
57.03440	2.9
57.07083	9.8
57.07342	1.9
60.05010	1.9
65.02938	2.0
67.05504	25.4
67.45181	2.0
69.07070	39.7
70.07424	2.5
71.08624	5.0
71.58310	2.8
79.05489	3.9
81.07063	41.7
83.08622	29.1
85.06551	9.9
85.10206	2.9
93.07050	6.6
95.08608	56.4
97.10171	32.0
98.98466	9.7
99.08106	6.9
105.07063	3.7
107.08594	3.5
109.10170	35.2
111.11716	5.9
113.09676	2.4
119.08572	2.4
121.06543	5.1
123.11700	26.3
127.11184	2.0
137.13322	4.2
145.10126	2.9
147.08049	4.1
151.14830	3.1
153.16373	4.6
155.01065	4.1
159.11882	2.2
173.09584	2.7
179.17979	6.0
183.04268	4.9
197.07277	3.9
213.16411	2.1
229.15921	5.6
249.18604	3.5
281.92999	1.9
326.48099	2.2
359.02768	3.0
427.35532	7.2
445.29404	19.5
445.36746	100.0
446.29794	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	445.368
Annotation	Nebrosteroid D
Peak:m/z	Relative Intensity
55.05510	8.7
57.07075	8.2
67.05503	9.0
69.07073	22.8
71.08620	4.7
71.59460	5.0
79.05477	9.2
81.07046	13.9
83.08620	9.9
83.71213	3.5
85.10220	5.3
91.05470	2.6
91.05801	4.9
93.07039	7.5
95.08615	27.2
97.10179	8.1
98.98462	16.0
105.07025	9.2
106.68063	3.4
107.08600	10.1
109.10159	7.4
111.11749	4.7
117.07020	7.3
119.08575	7.6
128.25911	3.2
129.07111	3.3
130.07874	3.9
131.08562	5.0
133.10081	3.5
145.10132	17.0
147.08069	9.6
147.11743	5.1
149.09569	3.3
155.01067	12.9
157.10146	5.1
158.07253	12.9
161.09518	6.5
173.09616	98.3
175.11189	24.8
183.04170	8.9
187.11133	3.5
191.10680	100.0
201.12697	11.1
210.28732	3.8
213.12756	8.2
215.14386	5.4
227.14363	9.7
249.18658	3.8
311.23676	4.3
359.02795	6.4
409.34674	41.2
418.33606	3.6
427.35739	51.8
445.29120	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	445.2947
Annotation	Foetidinol
Peak:m/z	Relative Intensity
55.05500	2.6
57.03427	2.1
57.07075	12.7
69.06721	2.0
69.07066	22.5
69.28658	23.0
80.50510	1.8
81.07065	3.4
83.01347	3.8
91.05470	3.4
93.07027	4.5
95.08627	2.1
105.07093	1.9
107.08568	6.9
109.06542	2.6
118.72099	1.8
123.11713	12.6
127.03925	3.0
135.08017	5.4
135.11676	10.7
137.05939	4.8
145.10028	3.8
149.09612	3.4
153.05489	4.2
162.06708	3.5
163.07521	5.9
163.11235	2.2
165.05469	93.0
165.09145	3.1
173.09514	3.7
176.08347	2.2
177.05554	2.0
177.09175	11.6
191.10625	7.9
201.09064	2.8
219.10143	71.2
221.11722	44.5
221.13831	2.8
237.11203	100.0
283.45300	2.5
287.16394	42.8
305.17444	10.0
341.20456	2.0
343.22659	4.2
359.22189	21.2
371.22733	2.3
377.23187	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	445.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05260	0.8
55.05505	9.3
57.03420	0.5
57.07067	3.9
67.05495	4.9
69.07063	14.5
71.08614	1.6
79.05492	1.5
81.07047	7.9
83.04952	0.6
83.08610	8.4
91.05467	1.8
93.07027	1.6
95.08594	6.3
97.10157	3.9
105.07033	1.4
107.08578	3.7
109.10139	5.7
111.11689	2.1
116.59033	0.5
119.08578	2.8
121.06489	0.9
121.10150	3.2
122.07264	1.4
123.07997	0.8
123.11702	1.4
125.13235	0.5
131.08578	1.6
133.10135	1.0
134.64726	0.5
135.08046	2.2
135.11664	1.3
137.09601	9.5
137.13229	1.2
139.07513	1.1
143.08549	0.6
145.10098	1.3
149.09578	7.9
151.07553	1.1
156.09308	0.5
157.10233	0.5
159.11708	0.8
160.08830	0.6
163.11177	10.2
165.09097	100.0
166.09433	1.3
173.09596	1.1
173.13264	1.0
175.07593	0.7
175.11119	2.9
177.09097	5.2
177.12724	0.5
179.10704	0.7
186.10379	0.8
187.11128	1.3
189.09102	2.1
189.12711	1.4
190.09819	0.9
191.10657	5.1
199.11186	3.2
201.12704	1.8
203.10669	4.3
203.14214	1.0
204.11398	0.7
205.12236	6.7
217.12262	0.8
219.13812	2.1
231.13789	1.1
233.15268	0.7
253.67360	0.6
276.99496	0.5
296.29471	1.3
399.32034	0.7
409.34625	0.6
417.18796	0.5
427.35675	3.4
430.17526	0.6
445.20035	3.5
445.36710	6.2
446.20285	0.6
466.66245	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.8
55.01863	3.7
55.05301	1.1
55.05508	11.9
56.96553	2.1
57.03435	15.9
57.07072	2.0
59.04978	1.1
61.02930	5.2
63.03042	0.9
67.05502	48.7
69.03078	1.2
69.03427	20.0
69.07067	6.5
70.06576	4.2
71.04987	100.0
71.08610	1.3
71.59768	2.0
71.99393	1.1
72.08147	4.8
72.93773	1.4
73.02919	2.4
79.05046	1.9
79.05482	22.1
81.03415	35.6
81.07052	62.2
83.04976	14.9
83.08616	7.4
84.04480	4.9
84.08128	1.8
85.02900	13.6
85.06542	9.6
86.06059	2.1
86.09671	2.3
87.04458	4.0
88.11259	11.3
90.94794	1.1
91.03934	2.4
91.05462	42.4
93.07038	20.1
95.04961	9.3
95.06091	1.3
95.08601	9.6
97.02886	35.0
97.06529	9.7
97.10133	2.8
98.06042	3.8
98.97584	1.6
98.98473	1.1
99.04436	5.0
99.08074	2.5
101.06041	1.2
103.03921	3.9
103.05453	1.4
105.07021	25.0
107.04951	17.9
107.08593	17.9
109.02879	7.2
109.06499	4.2
109.10156	13.7
111.04426	4.7
111.08070	3.4
113.05924	1.5
117.06993	4.2
119.08553	4.1
120.08028	1.1
121.02871	1.3
121.06502	4.9
121.10143	6.1
123.08107	2.5
123.11694	13.9
125.05959	1.7
125.09608	1.9
127.03914	10.7
129.05452	2.7
129.06992	1.8
130.05066	1.8
131.08508	5.2
133.06482	1.2
133.10120	32.8
134.99681	1.5
135.04335	1.3
135.08057	2.0
135.11690	6.1
137.05925	3.6
139.11151	1.0
144.05641	1.3
145.06451	1.3
147.07983	1.9
147.11656	3.1
149.09598	1.9
149.13239	6.5
151.07532	1.4
151.11174	21.6
153.12758	1.8
157.10127	1.7
158.11731	4.4
159.08064	1.1
159.11694	8.0
163.11201	1.0
165.09061	1.3
167.05574	1.3
168.13652	1.1
169.12260	3.3
172.03975	1.3
173.04434	9.1
175.11134	1.4
177.12767	6.6
183.06516	2.4
183.13840	8.6
187.13292	28.2
193.12256	2.1
195.13763	8.5
200.12787	7.5
201.07573	2.0
201.14851	15.0
202.14456	1.1
213.14833	2.6
217.15460	13.1
219.13680	1.4
227.13040	1.2
239.16391	1.9
241.18042	2.3
243.15863	6.9
252.97954	1.5
257.17465	63.1
259.10968	1.3
267.06717	1.8
269.17465	4.8
271.15240	1.6
283.06165	3.0
283.19122	2.8
285.07727	1.6
297.16727	1.6
301.07077	2.2
301.20105	6.9
339.18182	3.5
359.02878	2.5
394.84122	1.1
395.20648	2.1
413.22000	11.1
427.23215	1.5
445.09354	1.9
445.24280	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.9
55.01859	2.2
55.05509	7.8
56.96552	1.5
57.03430	9.9
57.07074	14.9
65.03938	1.9
67.05496	21.5
69.07062	48.9
69.94673	7.2
70.07389	3.1
70.07852	1.6
71.04986	2.4
71.08617	1.2
76.18430	1.3
79.05489	28.0
80.05811	1.5
81.03408	3.6
81.07051	22.7
83.04953	1.8
83.08620	2.7
85.06541	2.3
91.05465	24.7
93.07040	21.6
95.04958	4.7
95.08598	15.6
96.66769	1.2
97.06509	3.0
97.10157	1.9
105.07024	24.3
107.04935	2.1
107.08585	16.5
109.02872	1.7
109.10145	5.4
111.04424	1.9
111.08096	1.4
112.11748	1.2
113.00007	100.0
115.03135	1.7
115.07549	3.1
117.07004	8.5
119.08568	28.1
121.10134	11.9
123.11674	2.7
126.99456	3.4
128.06223	1.4
129.01048	6.4
129.05463	2.7
129.07004	4.6
131.00938	1.5
131.08557	13.6
133.10115	21.9
135.08066	2.7
135.11687	12.6
141.01001	6.5
143.00711	2.1
143.08546	4.2
145.10109	10.0
147.11659	19.1
149.13251	6.0
155.02612	1.8
155.06999	2.2
157.10135	5.8
159.11682	10.6
161.09607	1.5
161.13232	22.9
163.14812	3.7
169.02599	15.9
171.11649	9.5
173.13226	8.7
175.14807	17.4
185.13261	6.9
187.03671	15.7
187.14764	2.2
189.12694	1.2
197.07271	10.2
198.07675	3.5
199.06923	2.5
199.14803	3.9
213.16286	1.9
215.17961	5.2
217.19519	5.4
231.21089	5.4
235.04546	1.8
241.19490	41.8
243.21074	2.8
259.20547	41.3
262.03195	1.5
267.03394	1.5
275.20078	2.0
277.21671	2.1
315.23187	4.6
319.10233	1.7
333.24200	63.2
336.35614	1.3
381.78769	1.3
427.22552	3.9
445.10333	15.8
445.30609	2.1
446.09793	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
55.05516	9.3
57.03436	14.6
57.07075	2.8
61.04308	2.0
65.03162	1.9
67.05502	30.3
69.07059	10.8
69.73917	13.5
70.40855	1.7
71.04994	3.1
73.04731	1.9
79.05493	28.9
81.03444	2.7
81.07053	33.1
83.08612	5.4
84.35627	1.9
85.06546	2.4
91.05422	26.1
93.07037	37.7
95.04946	4.0
95.08604	19.2
97.10137	2.6
99.51206	1.9
105.07025	31.4
107.04933	4.9
107.08596	22.7
109.06568	3.0
109.10143	10.6
113.00015	87.5
117.07029	8.9
119.08575	34.6
121.10137	15.1
123.11704	2.5
128.06215	2.3
129.05476	6.3
129.06996	8.0
131.08574	18.4
133.10117	24.5
135.08043	3.4
135.11713	13.0
143.08536	5.9
145.10135	12.7
147.11688	23.2
149.13243	10.0
155.07022	4.7
156.09378	2.4
157.10106	5.5
159.11682	15.8
161.13271	25.5
163.14844	5.2
165.85101	2.0
167.05475	3.6
169.02620	7.1
171.11684	8.2
173.13295	14.9
175.14815	16.3
177.12735	2.7
185.13301	8.4
187.03618	12.8
187.14709	3.2
199.14822	4.6
201.16426	2.2
213.16429	2.3
215.17972	8.0
217.19493	5.7
221.87111	2.1
231.21179	5.6
241.19498	48.3
243.21068	6.0
259.20535	39.3
315.23004	5.8
333.24210	100.0
359.02884	4.7
422.86572	2.2
427.32666	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.2
55.01868	4.6
55.05518	12.0
57.03435	12.0
57.07050	2.9
67.05504	26.0
68.05013	2.5
69.07059	8.9
69.69189	2.3
70.14003	8.2
70.14425	3.5
71.04982	3.4
79.05486	25.4
80.74219	2.1
81.07060	33.7
83.04994	3.3
83.08604	6.5
85.06554	3.1
86.09687	2.2
91.05434	34.0
92.64017	2.1
93.07047	34.3
95.04983	4.2
95.08604	25.6
97.06514	5.3
105.07030	35.0
107.04967	3.4
107.08603	25.1
109.10143	8.4
113.00017	100.0
117.07023	9.8
119.08572	43.5
121.10152	17.6
124.31370	2.3
129.05473	8.5
129.07024	9.2
131.08572	19.9
133.06482	2.4
133.10138	26.0
135.11670	13.8
143.08554	8.9
145.10126	14.6
147.08055	2.9
147.11682	23.0
149.13237	13.5
155.07047	3.6
157.10159	9.7
159.11687	13.3
161.09595	3.9
161.13261	32.0
163.14819	6.9
165.09148	2.5
167.05522	4.4
169.02592	13.5
171.11700	16.6
173.13271	12.9
175.11256	4.1
175.14853	27.4
182.35692	2.3
185.13196	15.4
187.03670	17.1
187.14859	4.9
199.14851	4.9
213.16434	4.7
215.17975	9.7
217.19530	7.6
225.04343	2.9
231.21074	7.5
241.19495	57.4
243.21161	3.9
253.88512	2.2
259.20572	49.4
301.07108	2.6
315.23019	5.0
333.24243	88.8
359.02728	5.8
397.62140	2.6
427.31741	4.4
445.32523	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	445.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
55.01849	2.0
55.05511	9.5
56.46083	1.7
57.03428	16.6
57.07051	1.7
63.26554	1.7
65.03936	2.2
67.05502	27.0
69.07066	10.4
70.11703	7.6
78.04652	1.9
79.05038	2.9
79.05486	29.6
81.03436	4.1
81.07053	27.3
83.08642	3.7
83.65482	1.7
91.05469	37.1
93.07040	37.7
95.04959	3.8
95.08595	23.9
97.06511	3.5
103.03944	2.1
104.08416	1.9
105.07028	36.5
107.08584	23.2
109.06536	2.0
109.10127	8.4
113.00011	90.6
117.06996	8.5
119.08560	33.7
121.10135	21.1
123.11657	3.1
129.05489	3.2
129.07007	5.0
131.08539	18.3
133.10121	22.6
135.07961	2.4
135.11679	20.5
143.08559	7.3
145.10085	14.5
147.07932	1.7
147.11684	18.9
147.73126	1.7
147.74440	1.5
148.93517	1.5
149.09573	2.3
149.13245	7.6
155.06972	3.7
157.10178	9.6
159.11720	9.8
161.09618	2.3
161.13242	29.6
163.11206	1.9
163.14818	4.6
169.02614	5.5
171.11710	10.0
173.13219	12.8
175.14793	16.1
185.13321	10.5
187.03688	14.0
187.14793	2.7
189.12715	3.5
199.14819	4.6
213.16386	3.0
215.17973	6.0
217.19531	8.2
231.21043	5.4
241.19499	55.8
243.21129	2.9
259.20526	34.9
277.21509	2.5
315.23129	5.9
330.16800	2.2
333.24216	100.0
345.71695	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	445.2044
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
53.03959	0.7
62.63610	0.7
67.05508	1.1
69.07069	0.9
70.06576	2.3
70.84336	2.5
72.08134	1.7
72.13131	0.8
79.05493	1.5
81.07047	1.0
84.08138	1.0
86.09689	1.9
91.05797	2.1
92.66722	0.7
93.07048	1.2
95.04996	0.9
95.08625	0.9
96.80863	0.8
105.07027	2.0
107.04967	8.9
107.08624	0.7
109.10188	0.7
119.01898	1.8
129.10249	0.9
131.01907	1.4
131.04985	0.7
133.06487	4.8
134.54985	0.7
143.01823	0.8
143.08583	0.7
149.05862	1.0
155.01912	1.1
157.06485	1.7
167.05537	1.1
173.02954	1.5
185.02943	1.1
313.16183	1.0
333.07932	18.8
343.16342	1.4
359.02777	1.6
445.20447	100.0
446.20685	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	445.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.8
55.01866	11.4
55.05502	19.8
56.96553	9.2
57.03438	86.3
57.07068	6.1
67.05517	50.6
69.03420	5.7
69.07065	15.0
70.06583	22.6
70.10394	22.4
72.08162	11.8
73.04748	5.1
79.05500	56.0
81.03419	7.7
81.07083	33.8
83.04990	5.1
83.08595	16.0
84.08131	10.9
85.06538	17.3
86.09703	21.2
90.27364	5.1
91.05389	73.1
91.05873	17.7
93.07030	40.6
95.04951	19.2
95.08601	28.3
97.06478	6.8
97.10189	4.9
98.98468	100.0
103.05454	8.3
104.10767	7.3
105.07041	69.4
107.04958	78.6
107.08592	30.0
107.63102	4.7
108.05319	8.7
109.06516	61.0
109.10168	7.6
115.05466	18.2
116.99506	6.4
117.07026	44.0
119.08590	41.5
121.02815	8.6
121.06537	12.7
121.10123	12.7
123.08128	10.0
124.99994	16.3
128.06189	15.8
129.07011	37.9
131.04924	18.9
131.08549	48.1
132.05736	8.3
133.06479	21.3
133.10130	24.1
135.04425	6.0
135.08044	19.4
135.11729	7.0
137.09624	9.9
141.07004	20.8
143.08577	25.4
145.06477	22.8
145.10150	38.3
147.08047	23.9
147.11696	11.6
149.09627	9.7
149.13271	9.8
155.08501	15.8
157.06499	20.2
157.10188	31.8
159.08041	7.9
159.11646	26.5
161.09602	20.7
167.05611	14.2
169.10126	7.8
171.11700	13.7
173.02118	11.8
173.09566	6.4
173.13280	16.5
175.11201	16.6
177.12784	8.0
179.08589	5.2
181.10051	6.0
183.11734	27.8
184.07397	28.7
185.13341	10.1
189.12730	9.6
197.13216	7.9
199.14822	21.4
201.04062	5.9
201.12750	30.8
204.70107	8.1
207.08163	6.3
213.16492	6.6
217.15927	32.8
219.13647	8.2
225.09111	9.2
237.08995	13.3
237.16373	16.6
245.18947	6.9
247.07681	6.0
255.17427	39.2
261.09088	8.4
273.18494	61.6
275.16409	7.9
285.62793	9.1
291.19492	10.9
320.26288	5.8
329.21204	6.3
342.99893	7.2
347.22128	99.2
359.02896	26.2
415.14896	7.7
427.15494	7.4
435.17276	6.5
445.15732	7.5
445.26489	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	445.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
55.01872	1.4
55.05511	2.0
56.05037	4.9
56.96563	1.0
57.03429	1.7
60.04508	2.3
60.08153	2.1
65.03955	1.5
67.05482	1.6
68.05020	0.9
69.03430	1.5
69.07059	1.6
70.02941	0.9
70.06595	27.9
71.06931	1.5
71.09879	1.8
72.08154	21.1
73.04747	1.9
73.98093	0.8
74.06079	1.9
79.05490	2.8
81.03404	0.9
81.07067	0.9
82.66919	0.8
83.06091	2.2
84.04507	75.6
84.08144	16.5
85.02895	2.2
85.04831	1.3
85.08495	0.9
86.06052	2.2
86.09703	25.0
87.05586	1.2
87.10027	2.2
88.04005	1.9
91.05402	3.4
91.05788	10.2
93.07039	1.5
95.04977	1.4
95.06091	1.4
97.06495	0.9
98.06061	2.0
98.98487	1.0
101.07139	9.0
102.05551	4.4
103.05470	4.0
104.05325	1.3
105.07069	1.8
107.04956	40.4
108.05296	1.2
110.07159	4.4
112.11193	1.1
115.08715	1.2
116.01652	1.2
116.06348	1.1
116.07114	2.8
117.07016	2.7
119.04951	2.8
120.08078	4.0
121.06528	3.2
124.99976	4.1
126.05495	0.9
128.06271	1.0
129.07024	6.3
129.10231	8.9
130.05006	100.0
130.10567	1.2
131.04906	9.4
132.05702	3.5
133.06487	4.0
136.07593	7.8
145.06494	5.8
147.07648	99.8
149.05936	2.4
157.06494	8.4
157.13359	1.1
162.02217	2.9
163.07556	3.7
167.05545	5.6
171.05603	1.5
175.07550	2.8
184.07320	15.6
185.07661	5.8
185.09200	1.2
185.16518	2.2
191.01559	1.1
196.14323	0.8
201.12361	1.1
213.06833	1.2
213.15987	2.7
225.04280	2.4
225.09070	0.9
229.11806	1.2
233.09300	1.9
233.11446	2.2
251.10614	1.4
253.09889	2.3
267.13058	1.0
273.78867	0.8
283.11133	1.1
298.12152	1.7
301.11978	10.6
306.19284	1.2
309.09015	1.0
315.09912	1.1
335.17242	1.1
342.99567	1.4
343.13025	6.5
344.00208	0.8
359.02863	6.7
383.16174	9.8
385.14081	2.7
424.86127	0.9
427.15097	2.4
427.21170	0.8
445.16196	76.3
446.11765	1.0
446.16986	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	445.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.7
53.03940	4.2
54.79194	2.0
55.05496	5.5
56.05016	1.7
57.03440	2.9
60.81174	2.0
61.02927	2.8
67.05489	7.9
69.03424	4.7
69.07052	2.6
70.04071	4.3
70.06580	11.1
71.60419	3.6
72.08144	6.6
74.72810	2.5
79.05465	10.1
81.03403	6.2
81.07034	13.3
82.06583	7.1
84.04509	3.2
84.08145	3.7
85.02901	6.0
86.09700	15.7
87.04425	3.1
91.05396	2.3
91.05869	2.8
93.07040	4.4
94.06549	3.1
95.04961	5.3
95.08573	2.5
96.04467	3.5
96.08116	6.7
97.02869	5.1
98.21434	1.8
104.99268	2.2
105.07053	4.1
107.04945	100.0
107.08584	2.6
108.05267	3.0
108.08103	3.2
109.06561	2.6
110.06034	24.3
110.07170	2.6
112.07597	4.3
119.08558	2.5
120.08067	9.5
121.02821	4.6
121.06475	2.0
122.06026	22.0
123.06807	4.4
124.07598	18.4
126.05530	3.8
128.07106	2.6
134.06052	9.3
135.11682	2.0
136.07559	51.9
138.05487	4.4
140.07050	7.5
143.08549	2.1
150.05461	2.8
152.07054	96.2
153.07399	3.2
157.89180	2.2
158.08157	4.2
161.07286	1.9
162.05458	2.9
164.07057	76.4
166.08614	5.2
170.08109	27.6
173.09500	2.1
173.12740	2.3
182.08109	32.5
185.91138	2.1
198.09210	2.5
200.10704	4.2
212.10652	5.3
226.08704	3.4
226.12230	5.0
228.10278	3.1
233.09166	3.6
242.11778	3.4
243.11304	3.1
254.11752	3.1
260.12741	2.5
270.11273	2.2
271.12015	27.7
272.12711	18.7
276.12296	4.6
285.12405	5.3
288.12198	6.5
290.14227	2.3
303.13339	33.4
321.14490	11.9
342.87396	2.2
359.02994	2.7
367.16440	2.8
391.16513	4.7
405.07062	2.0
409.17551	40.2
427.18268	17.4
445.20276	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	445.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86686	0.9
51.07460	0.8
53.03941	1.4
55.01871	1.6
55.05504	2.4
56.05027	2.5
56.96556	1.7
60.04517	3.8
61.02915	1.0
67.05495	1.7
68.05033	1.1
69.03423	2.5
69.07048	1.5
69.10964	0.8
69.84637	2.9
69.85046	2.1
70.06593	27.5
71.01379	1.3
71.04987	0.9
71.06926	1.5
72.08155	16.4
73.04742	3.1
74.06081	2.0
76.02216	1.6
79.05491	2.4
81.03410	2.6
81.07056	1.0
84.04501	8.0
84.08147	17.3
85.02903	4.6
85.04006	1.0
85.06532	1.1
86.06063	1.5
86.09209	1.5
86.09711	17.6
87.05604	0.9
87.10020	1.1
88.03993	1.0
91.05860	13.4
95.04974	3.1
97.02896	2.6
98.06031	2.9
98.20792	0.9
98.97588	4.0
99.04469	1.3
101.07141	2.1
102.05518	2.9
103.05451	1.3
105.07018	3.3
107.04960	59.7
108.05302	1.3
110.07162	4.5
112.08709	1.8
115.08723	1.7
116.01679	0.8
116.07094	2.3
116.98627	2.7
117.28236	0.9
119.04948	2.3
119.08607	1.2
120.08090	3.1
121.02864	14.0
121.06504	2.6
123.04439	2.1
125.07098	0.9
127.08584	1.0
129.07010	1.5
129.10237	7.3
130.04976	5.2
130.10558	1.4
131.04907	2.8
131.08607	1.0
133.06532	8.3
134.99675	2.7
136.07567	2.5
137.08336	2.3
141.92812	0.9
144.08165	1.0
145.06509	16.0
146.99677	1.1
147.04411	3.6
147.08032	6.8
148.47673	0.9
157.06447	2.5
159.08011	3.6
159.09216	1.3
161.06029	1.3
162.02225	1.4
167.05536	6.0
170.06343	8.3
171.05682	2.6
171.07999	1.4
171.14909	1.4
173.09578	1.3
177.00726	3.0
183.07983	1.9
184.07430	1.3
185.16524	0.9
211.02779	1.9
217.08546	1.0
219.01764	1.4
224.07567	1.3
225.04260	2.7
227.04532	1.1
229.11961	1.2
229.15456	1.2
231.04305	1.0
237.02753	5.0
237.09004	1.3
247.13077	1.4
253.09830	4.1
265.04105	1.4
267.16110	1.1
271.09518	1.8
281.09222	1.0
283.10471	1.1
301.11969	20.1
309.08554	1.0
315.09897	2.5
316.15656	1.6
337.14343	2.5
342.99786	2.2
343.08975	1.3
343.12848	7.9
359.02896	6.0
383.16119	16.3
385.08066	3.0
385.14072	3.8
402.12033	1.1
403.09161	3.9
409.16592	1.3
427.15619	3.2
445.16144	100.0
446.16418	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	445.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.8
55.01875	4.1
55.05493	1.6
67.05493	2.3
69.07082	1.5
69.35296	4.9
69.35706	1.1
69.97038	0.7
70.06602	1.5
79.05495	4.1
81.03401	1.2
81.07057	2.6
83.08646	1.0
84.08137	1.1
86.15128	0.6
91.05389	3.5
93.07041	3.0
93.66257	0.6
95.04955	4.9
95.08613	2.7
97.10179	0.9
98.98462	1.8
103.05497	1.5
105.07024	3.4
107.04955	100.0
107.08588	2.4
108.05299	1.2
109.06483	1.1
109.10169	2.2
115.05457	1.7
117.07030	1.9
119.04940	2.0
119.08575	2.0
121.02903	3.6
121.06499	2.7
123.04412	2.0
123.08024	0.8
123.11710	0.8
125.09606	0.9
129.07014	1.4
131.04918	3.6
131.08537	3.3
131.82695	0.7
132.84491	0.6
133.06499	6.4
133.10173	1.6
135.08080	1.0
137.05971	1.4
140.41071	0.7
141.06990	2.0
143.08531	1.5
144.05734	2.9
145.06483	12.1
145.10048	0.9
147.04453	1.2
147.08055	2.5
149.05930	1.1
152.06139	1.0
155.08502	0.8
157.06505	6.2
157.10130	1.2
159.08035	6.6
161.09621	0.7
165.06982	2.1
165.09204	0.7
167.05548	1.1
167.08527	1.1
169.06502	2.1
175.07573	2.5
177.06996	1.3
178.07758	5.4
179.08554	11.1
181.06508	2.2
182.07330	0.7
183.08015	0.7
187.07487	1.5
189.07008	1.7
190.07816	1.2
191.08510	1.2
194.07173	0.8
195.08063	2.6
197.05998	1.6
202.07800	1.5
203.08536	2.1
205.06476	1.8
206.07234	1.5
207.08083	7.7
209.09756	0.9
210.06821	1.3
212.14336	0.6
215.08650	2.2
217.10037	1.7
217.15910	1.3
218.07259	1.0
219.08093	3.0
221.06020	0.9
222.06749	0.7
223.07553	5.5
224.64456	1.0
225.09068	3.4
226.07770	1.1
227.08557	1.0
229.10048	1.0
231.07973	3.9
232.08836	0.7
233.06195	0.8
233.09526	1.5
235.07550	22.5
237.09106	7.1
241.08589	2.1
243.08174	1.2
244.08923	1.3
245.09581	3.1
247.07570	8.5
247.17070	1.1
249.09122	2.4
251.07030	4.9
253.08621	13.0
255.08069	4.8
259.07599	1.4
259.11218	0.8
260.08374	1.2
261.09125	5.8
265.08636	0.8
269.08093	2.4
272.08243	1.1
273.09079	5.1
273.18439	1.1
275.10641	1.5
276.19797	0.9
277.08762	1.7
279.10284	1.8
285.09143	2.7
287.10568	1.5
289.17972	0.8
291.10190	8.4
303.10168	6.3
305.11716	2.0
315.09991	0.8
321.11301	2.8
323.12762	1.7
333.11234	1.2
339.22864	1.3
347.22525	0.7
353.11594	0.9
359.02890	1.6
367.13348	0.9
374.13162	0.7
379.13406	2.4
385.14310	4.6
391.13110	1.5
397.14371	6.9
409.14331	1.2
415.15488	4.1
427.15427	7.5
427.32004	1.5
445.16553	5.5
445.26947	0.9
445.32831	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1617
Annotation	Chlorohyssopifolin D
Peak:m/z	Relative Intensity
56.31425	0.4
60.04517	1.0
67.98612	0.4
69.66325	2.6
69.66662	0.5
70.06595	4.1
72.08154	1.9
74.06079	0.8
84.04499	1.7
84.08132	2.4
84.44855	0.4
85.02892	0.6
86.09714	2.8
91.05878	1.9
98.06047	1.0
100.56111	0.4
105.07056	0.6
107.04941	1.2
110.07161	1.5
116.07072	0.5
120.08077	0.6
129.06789	0.4
129.10233	1.3
130.04976	0.8
131.04958	0.4
133.06476	1.3
136.07613	0.8
147.07651	1.2
167.05547	0.6
171.05614	2.1
174.15210	0.4
199.05211	0.4
213.06696	1.0
227.04617	0.7
253.09880	4.5
263.08496	0.5
267.13110	0.9
271.09598	1.3
283.10873	1.9
297.08871	0.5
297.45584	0.4
298.12091	0.5
301.11990	13.8
309.08844	1.0
315.09930	2.2
325.11963	0.6
343.12979	7.6
359.02902	0.8
365.14996	1.2
383.16101	12.5
384.16379	0.7
385.13980	3.7
427.15244	2.9
427.20419	0.4
445.16177	100.0
446.16446	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	445.1643
Annotation	Chlorohyssopifolin D
Peak:m/z	Relative Intensity
55.01875	15.3
55.05506	4.0
57.03421	7.1
62.94657	1.4
62.95044	1.5
67.05480	4.9
69.08946	1.4
69.62276	13.5
70.06593	2.6
72.08160	2.2
72.56252	1.7
79.01523	1.8
79.05486	9.7
81.07034	6.8
83.04943	1.8
83.08603	2.6
85.06540	2.0
91.05420	13.9
93.07056	8.5
95.04937	5.4
95.08589	6.7
98.98469	12.6
103.05466	4.3
105.07007	13.6
107.04951	100.0
107.08571	2.0
109.06512	5.1
109.10120	2.8
115.05444	7.3
117.07011	8.7
119.04913	6.5
119.08588	4.4
120.05721	1.9
121.02818	3.6
121.06502	8.0
125.00007	1.6
128.06209	2.4
129.06984	4.9
131.04924	17.2
131.08554	5.5
133.06471	6.8
133.10121	3.3
135.08028	3.3
137.09578	2.0
143.04945	2.1
143.08536	4.0
144.05716	2.7
145.06471	10.7
145.10110	4.6
147.04355	6.3
147.08035	4.1
149.05956	2.5
155.04886	6.9
155.08537	2.0
157.06451	7.2
157.10068	2.7
159.08046	2.8
159.11713	4.6
161.05943	6.3
161.09619	2.0
165.07013	2.4
165.09067	2.9
166.07626	1.9
167.05469	2.2
169.06419	3.0
173.05974	6.8
178.07785	2.9
179.08551	5.7
181.06433	2.0
185.05927	6.5
191.08530	3.8
193.10109	2.1
195.08070	3.3
201.12781	2.1
202.07761	5.3
203.08554	5.5
205.06403	2.1
206.07161	2.8
207.08031	6.6
215.08595	2.7
217.15897	4.7
218.07610	2.1
219.08037	6.1
221.09612	5.6
223.07523	4.8
225.09146	9.4
231.08049	10.9
232.08852	2.1
233.09598	4.8
234.06804	2.6
235.07489	6.6
236.08359	2.4
237.09113	7.6
244.08798	3.2
245.09662	4.2
247.07520	6.1
248.08366	3.1
249.09103	19.8
250.09892	12.9
250.16023	1.7
253.08386	2.1
255.08015	2.5
255.17345	2.7
257.09625	3.7
259.07513	4.8
260.08093	2.1
261.09125	7.8
262.09802	3.3
263.10678	2.8
265.08661	1.8
273.09012	6.7
273.18451	7.3
273.83969	1.7
275.10706	4.3
277.08588	17.2
285.09042	5.4
291.10123	30.7
303.10162	22.0
321.11423	3.8
347.22342	9.9
359.02634	3.6
367.13208	3.2
379.13290	12.7
385.14359	17.8
391.12964	2.9
397.09146	3.2
397.14355	66.7
398.14679	3.9
409.14276	3.4
415.15259	4.7
427.32056	2.5
445.33035	2.4
458.85376	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	0.9
55.01864	1.2
55.05524	1.8
56.05025	3.5
56.84960	0.7
56.96566	1.8
57.46649	0.8
59.06099	1.2
60.04512	2.9
61.01157	0.8
62.97076	0.7
66.05432	0.7
67.05500	0.9
68.05020	1.5
69.03432	1.6
69.07049	1.3
70.06594	20.9
71.57567	1.6
72.07756	0.9
72.08154	14.8
73.02885	0.8
73.04758	2.2
73.65460	0.8
74.06082	2.0
76.02218	1.7
76.04009	0.8
79.05485	3.0
81.03418	2.1
81.04531	0.9
81.07065	1.0
82.04626	0.7
83.06078	1.3
84.04507	9.0
84.08144	14.1
85.02887	3.2
85.04075	1.0
85.08424	0.8
86.06048	0.9
86.09222	1.0
86.09711	13.2
87.05571	1.7
87.10058	0.9
88.03994	1.5
90.17992	0.8
91.05843	10.1
95.04972	3.1
97.02853	1.3
98.06048	1.9
98.97610	4.1
101.07152	1.3
102.05546	2.7
103.05463	1.1
104.05301	0.9
105.07011	1.9
107.04958	64.0
108.05289	1.4
110.07162	3.9
111.04412	0.9
111.68742	0.8
115.05438	0.9
115.08672	1.2
115.92451	0.7
116.07101	0.9
116.98626	4.7
117.07022	0.9
119.04927	2.3
120.08096	2.1
121.02878	11.4
121.06496	1.7
121.62814	0.8
122.06046	1.6
123.04420	2.6
128.98674	1.0
129.10239	6.7
130.05026	4.6
130.06538	1.0
131.04913	2.9
131.08636	0.9
133.06532	7.8
134.99644	1.8
136.07585	1.9
137.05951	1.1
137.08380	4.1
141.06609	0.8
145.06490	14.1
146.99683	1.5
147.04355	3.8
147.08014	7.4
155.08115	0.9
157.06416	1.6
158.99702	1.4
159.08067	3.9
161.05989	1.0
167.03201	0.7
167.05647	5.0
170.06337	9.4
171.05658	1.7
171.08014	1.1
171.14949	0.9
173.05928	1.8
173.09676	1.0
177.00708	1.9
183.08017	0.8
184.07414	1.5
193.01672	1.0
196.07913	2.1
199.14328	1.0
211.02797	2.1
217.08325	1.0
219.01857	1.9
223.02672	1.1
225.04355	1.9
227.02301	1.7
237.02864	4.0
241.03853	1.0
241.07837	0.9
241.10133	1.1
245.11789	1.1
247.12918	1.4
249.09560	1.1
253.09735	5.2
265.03940	1.1
265.12021	1.3
283.10712	1.9
301.11963	16.5
307.16907	0.8
309.08838	1.5
315.09869	2.7
337.14322	2.4
339.19815	0.9
342.99722	1.5
343.12851	5.6
359.02823	7.0
365.15051	0.8
382.61737	0.8
383.16074	12.8
385.08136	3.2
385.14041	2.7
399.19122	1.1
403.09207	3.2
427.15445	2.7
427.30121	0.9
445.16141	100.0
446.16684	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	445.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46288	0.9
55.01865	1.8
55.05515	2.0
55.93520	3.9
56.05027	1.4
56.94306	1.4
56.96558	1.2
57.03429	2.3
57.21369	1.0
60.04490	1.0
60.05630	1.6
61.02897	1.0
64.33768	0.9
67.05484	4.0
69.03419	4.8
69.07053	2.3
70.04078	1.3
70.06302	0.8
70.06586	9.0
70.95862	4.5
71.04991	1.0
71.59677	1.1
72.08142	4.9
72.93784	9.6
74.06063	1.2
79.05479	6.2
80.39140	0.9
81.03412	7.4
81.07029	4.4
83.04966	2.3
83.06114	1.2
84.04501	3.2
84.08152	5.1
85.02907	5.9
86.09708	17.3
87.04440	1.3
88.96888	2.4
90.94837	6.5
91.05412	10.2
93.07044	4.9
95.04958	4.0
95.06081	1.4
95.08591	2.0
97.02882	6.5
97.07779	1.1
99.04414	1.4
102.05486	1.0
103.05476	1.1
105.07050	5.4
106.97965	1.0
107.04942	13.9
107.08585	2.2
107.82107	0.9
108.95840	2.0
109.02873	1.5
109.06532	1.1
109.10098	1.6
110.07153	1.9
111.04411	1.4
112.08719	1.0
113.96429	1.1
115.05486	1.5
116.96371	1.0
117.07024	1.7
119.04982	1.5
119.08579	2.9
120.08112	2.2
121.02871	1.5
121.06474	1.6
121.10128	2.3
126.98476	1.0
127.03891	2.1
128.96323	1.9
129.06975	2.6
129.10216	2.7
130.97891	1.1
131.04852	1.2
131.08551	3.1
133.06439	2.2
133.10106	3.0
134.97403	1.1
135.11668	1.7
136.07568	1.5
137.05997	2.2
138.98407	2.9
142.25639	1.0
142.97897	0.9
143.08568	2.2
144.99541	1.0
145.06454	1.6
145.10152	2.3
146.97382	1.9
147.04408	2.1
148.06059	1.2
148.98984	1.3
149.00485	3.0
150.98412	3.9
152.07088	2.4
153.00017	1.3
154.97922	4.6
156.99466	1.7
158.97310	1.7
161.05940	1.8
162.96944	1.0
163.11147	2.6
164.99973	15.2
166.97900	4.2
167.05612	1.6
167.07031	2.0
168.99434	1.8
170.97386	1.7
172.98993	5.9
173.09459	1.4
175.01971	1.1
176.99892	1.3
178.97879	8.5
179.01578	2.0
180.99477	3.6
184.98987	4.3
185.12799	1.6
186.01273	4.5
187.07555	4.8
189.00031	1.2
189.03633	4.4
189.05283	1.0
189.09061	0.8
192.99478	2.7
193.03169	1.4
195.01039	1.9
196.98997	5.6
199.00484	6.4
199.02113	2.4
201.03609	2.5
202.97859	1.0
203.01550	1.4
203.05205	1.8
205.03140	2.2
207.01022	2.1
208.99033	1.7
209.02623	1.4
209.08211	1.0
209.11774	4.4
211.00496	3.3
214.99973	2.4
216.99689	1.5
217.01620	3.4
217.04926	2.2
217.08522	1.5
219.01021	3.0
219.04750	1.2
220.98943	1.1
221.02634	1.3
221.06149	1.8
223.00545	1.6
223.04167	3.4
224.98476	1.2
227.12648	1.7
227.17546	1.3
231.01001	1.3
233.00966	1.3
235.00522	2.1
235.04280	1.9
237.02254	1.6
239.03598	1.5
241.01584	1.4
241.05133	1.6
242.05731	1.6
243.13388	1.1
247.04112	1.0
251.03557	1.9
253.05255	10.0
255.06564	1.0
261.14404	1.5
265.05161	15.5
271.06311	3.5
281.04608	2.2
281.92535	0.9
283.06250	68.5
283.09518	3.6
283.15140	1.8
284.06628	1.9
299.05789	2.4
301.07309	100.0
302.07712	3.2
306.07889	2.7
311.09366	1.1
324.05490	1.2
324.08966	6.5
325.14294	1.2
341.13629	1.3
343.08112	1.6
353.13867	4.3
359.02957	1.6
413.21552	1.0
445.11435	7.3
445.20865	4.5
445.25781	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.3
55.01888	0.7
55.05512	2.6
56.05031	0.9
57.03423	1.0
58.06580	0.6
61.02900	0.8
62.12211	0.5
62.90227	0.5
67.05511	2.9
68.05033	1.2
68.66832	0.5
69.03425	1.6
69.07070	1.4
69.84419	2.7
70.06591	7.3
71.04981	1.7
72.08155	96.6
73.02911	0.9
73.08482	0.7
73.80241	0.6
79.05502	3.4
80.05004	0.8
81.03429	2.2
81.07060	3.7
82.06579	18.3
83.04993	1.0
83.08600	1.2
84.04497	1.0
84.08142	19.5
85.02897	2.6
86.06030	0.6
86.09712	1.1
87.04479	1.0
89.06023	1.0
91.05422	2.6
93.07047	2.4
94.06574	3.3
95.04973	3.6
95.06100	0.6
95.08600	1.6
96.08133	1.1
97.02895	2.2
97.06522	0.9
98.06069	0.6
98.21507	0.8
98.97611	0.6
101.02435	0.5
105.07035	2.2
107.04952	100.0
107.08613	2.0
108.05283	2.2
108.08121	3.6
109.02879	0.7
109.10179	1.3
110.06084	0.6
110.07144	0.7
110.09655	1.8
112.11234	8.8
112.11950	0.7
113.05910	0.5
117.06954	0.9
119.08553	1.1
120.08119	2.6
121.06504	4.3
121.10082	0.9
122.09673	0.8
123.11699	0.7
124.32414	0.5
127.03927	1.0
128.06181	0.5
131.04958	0.7
131.08549	0.6
133.06514	3.0
133.10121	1.5
135.11723	0.9
136.07556	0.9
137.06004	0.7
145.05009	0.5
145.06483	0.9
145.10159	0.8
146.05946	1.0
147.06831	0.6
148.07529	0.7
149.09694	0.8
157.10318	0.6
158.81726	0.5
174.98996	0.6
179.94962	0.6
184.05836	1.1
188.10719	8.2
190.12292	2.7
195.00366	1.2
206.15526	1.0
210.14934	0.8
212.10614	0.9
222.14844	1.1
224.16454	21.2
226.12299	0.6
226.18053	0.8
232.17026	1.1
232.99489	1.2
248.16492	0.6
250.18016	4.1
257.17343	0.7
265.18188	0.6
267.20645	8.2
271.12024	1.2
297.14117	1.3
312.19940	0.6
318.20520	0.8
321.25391	3.5
330.20636	43.1
332.22089	1.8
333.07977	1.1
335.09802	0.9
338.19727	1.6
338.28040	5.6
356.22128	4.3
358.15121	0.8
373.24860	16.6
375.26474	4.9
426.29739	0.7
427.29572	28.8
444.21216	4.0
444.27435	2.7
444.32242	55.6
445.20389	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	444.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
55.01868	0.9
55.05518	2.7
56.05035	3.5
56.76648	0.7
57.03434	2.1
58.06604	1.9
59.19611	0.7
60.04527	2.1
60.08165	16.9
62.06081	2.4
67.05499	5.5
69.03438	1.4
69.07073	3.4
70.06599	29.4
71.05000	2.2
71.06931	2.3
71.07375	5.7
71.57938	0.8
72.08155	12.4
73.08505	0.9
74.06084	2.0
75.44945	0.7
75.96381	0.8
79.05506	2.5
81.03430	1.0
81.07069	8.3
83.06134	2.0
83.08617	1.1
84.04510	7.6
84.08147	14.3
85.02916	2.3
85.06572	0.9
85.08479	1.1
86.06096	1.4
86.09710	71.2
87.10051	1.8
87.75026	0.7
88.04002	1.5
90.38462	0.8
91.05480	3.8
91.05914	1.3
93.04559	1.4
93.07062	1.9
95.04983	2.5
95.06068	0.9
95.08614	1.7
97.06598	1.6
98.06050	1.0
98.98494	4.7
100.96510	0.8
101.07165	1.0
102.05545	2.2
103.05457	1.0
104.10748	100.0
105.07054	3.2
107.04956	14.3
107.08627	1.1
108.05299	3.2
108.08141	1.9
108.74763	0.7
109.10150	1.4
110.07180	6.7
112.02222	1.6
112.08765	1.5
112.11272	1.5
115.08712	1.7
116.07088	1.3
119.04984	0.9
119.08555	1.4
120.08090	5.0
121.06535	1.9
125.00008	26.1
127.05070	0.8
127.08694	1.1
129.10248	8.6
130.05025	2.7
130.08670	0.7
130.10551	1.0
131.04935	1.6
133.06526	1.7
133.10126	2.4
136.07574	4.0
143.11809	1.0
145.06441	1.8
146.16528	1.0
147.07640	0.9
147.11606	0.8
156.07666	0.8
157.10095	1.0
157.13416	0.9
164.01625	0.8
164.07123	1.7
167.05579	2.0
175.11221	1.2
179.08943	1.3
183.14876	1.2
184.07350	97.3
185.07712	1.2
193.12181	0.8
197.12854	1.2
198.05257	1.1
216.06392	2.0
217.11821	1.0
225.04454	0.8
229.15508	1.6
230.15762	1.1
242.14932	1.2
251.10733	0.8
252.10962	1.1
260.12714	1.5
261.17007	1.1
263.10425	0.9
264.10925	1.0
267.16138	1.0
270.18042	1.0
288.09311	0.8
288.12393	3.2
303.18097	6.0
306.13397	7.2
323.16269	1.1
342.99466	1.0
355.13184	3.4
359.02875	2.9
426.22513	8.2
444.23520	30.7
445.16376	2.2
445.23688	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.8
56.05028	1.6
56.96543	0.3
57.03436	0.5
58.06622	0.7
59.07397	0.3
59.58934	0.2
60.04524	0.8
60.08161	6.1
60.80639	0.2
61.01132	0.2
61.02927	0.3
66.95080	0.2
67.04318	0.2
67.05502	1.4
69.03421	0.6
69.07064	0.9
70.06590	11.9
70.19299	1.0
71.04987	0.3
71.06933	0.6
71.07372	2.9
72.08154	4.9
74.06086	0.6
79.05498	0.8
80.05042	0.2
81.03410	0.6
81.07057	1.8
83.05036	0.2
83.06090	0.6
84.04501	4.6
84.08142	8.4
85.02905	0.9
85.06539	0.3
85.08486	0.4
86.09702	40.4
87.05592	0.3
87.10027	0.7
88.03994	0.6
91.05463	1.7
91.05874	0.8
93.04517	0.3
93.07036	0.6
95.04980	0.4
97.02879	0.6
97.07588	0.3
98.06059	0.5
98.98454	3.2
101.07137	0.6
102.05539	0.8
103.05461	0.3
104.10739	3.6
105.07018	0.7
107.04955	3.3
108.05256	0.6
109.10157	0.3
110.07166	2.3
115.08723	0.4
116.07079	0.7
119.04953	0.3
120.08110	1.5
121.06519	0.3
124.99999	23.0
126.05597	0.3
127.08704	0.3
129.10237	6.1
130.04993	2.7
130.08626	0.4
130.10620	0.4
131.04929	0.5
132.05632	0.2
133.06050	0.2
133.10089	0.4
136.06195	0.6
136.07561	1.6
139.08638	0.3
143.01022	0.4
143.11757	0.3
145.06485	0.5
146.06836	0.4
147.04385	0.3
147.07655	3.0
157.06506	0.4
157.13358	0.7
159.07796	0.2
159.09111	0.2
167.05554	0.8
171.05655	0.4
173.12857	0.3
184.07333	100.0
185.07658	1.0
185.09125	0.3
185.12866	0.5
200.13924	0.4
201.12267	0.5
225.04321	0.3
237.09500	0.2
240.13484	0.3
253.09766	1.0
258.11053	0.3
260.15964	0.5
269.05502	0.3
301.11951	3.1
303.17905	0.9
309.08975	0.3
313.22171	0.3
315.09637	0.4
325.03613	0.7
342.99368	0.2
343.12967	1.3
346.03589	0.6
359.02847	1.2
364.04477	0.4
383.16171	2.6
385.13870	0.7
392.66867	0.3
426.22385	0.9
427.14749	0.4
444.23456	3.1
444.30240	0.3
444.31784	0.3
445.16129	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
59.51344	0.2
69.03431	0.2
69.66956	0.2
70.00706	0.4
70.01104	0.7
70.04059	0.4
70.06577	1.0
72.08147	0.4
77.03905	0.3
79.05486	1.5
81.03432	0.2
84.04510	0.3
84.08140	0.7
85.02905	0.9
86.09697	0.5
87.04402	0.3
91.05456	0.2
95.04958	1.4
97.02896	0.2
101.54430	0.2
105.04478	0.2
107.04950	100.0
108.05280	2.7
108.08108	4.2
120.08080	0.5
121.02872	0.4
126.09150	12.2
127.03834	0.2
127.09489	0.3
130.07489	0.2
131.04915	0.6
132.05235	0.4
133.96530	0.2
137.06049	0.2
138.09120	0.4
145.06497	0.7
146.06827	0.8
166.08696	0.5
167.09070	0.3
182.16354	0.2
193.35770	0.2
198.09280	0.3
200.10692	0.5
214.12218	1.1
230.11754	0.4
232.13316	16.2
233.13696	0.3
244.13284	0.8
252.10995	0.6
263.10638	0.4
264.10992	0.9
273.03992	0.7
287.11035	0.6
301.03387	0.4
306.14853	0.7
311.69006	0.2
320.16483	1.0
336.15952	1.2
337.16931	0.4
338.17480	29.5
339.17923	1.3
377.01749	0.6
396.59543	0.2
444.21793	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	444.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
59.51344	0.2
69.03431	0.2
69.66956	0.2
70.00706	0.4
70.01104	0.7
70.04059	0.4
70.06577	1.0
72.08147	0.4
77.03905	0.3
79.05486	1.5
81.03432	0.2
84.04510	0.3
84.08140	0.7
85.02905	0.9
86.09697	0.5
87.04402	0.3
91.05456	0.2
95.04958	1.4
97.02896	0.2
101.54430	0.2
105.04478	0.2
107.04950	100.0
108.05280	2.7
108.08108	4.2
120.08080	0.5
121.02872	0.4
126.09150	12.2
127.03834	0.2
127.09489	0.3
130.07489	0.2
131.04915	0.6
132.05235	0.4
133.96530	0.2
137.06049	0.2
138.09120	0.4
145.06497	0.7
146.06827	0.8
166.08696	0.5
167.09070	0.3
182.16354	0.2
193.35770	0.2
198.09280	0.3
200.10692	0.5
214.12218	1.1
230.11754	0.4
232.13316	16.2
233.13696	0.3
244.13284	0.8
252.10995	0.6
263.10638	0.4
264.10992	0.9
273.03992	0.7
287.11035	0.6
301.03387	0.4
306.14853	0.7
311.69006	0.2
320.16483	1.0
336.15952	1.2
337.16931	0.4
338.17480	29.5
339.17923	1.3
377.01749	0.6
396.59543	0.2
444.21793	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	444.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
55.05507	0.6
55.42590	0.4
56.05029	1.9
57.98809	0.6
58.06589	0.5
58.61681	0.4
58.99583	6.6
60.04517	1.0
61.01147	0.7
68.05018	0.6
69.03426	0.8
69.07057	1.0
70.02924	0.7
70.06592	19.5
70.08453	2.2
71.06922	0.9
72.08158	11.4
74.06059	0.7
76.02226	35.8
76.04015	1.1
79.05509	0.9
80.05014	0.6
81.03420	0.6
81.07066	0.6
83.06088	0.5
84.04495	11.1
84.08144	8.2
85.02920	2.4
85.04027	0.4
86.09704	8.4
86.99042	1.3
87.05589	1.1
87.10064	0.4
88.02203	0.6
88.03981	0.7
88.96764	0.4
91.05363	0.5
91.05811	1.4
94.04182	2.8
95.06097	0.5
97.02882	1.0
98.06071	0.7
101.07176	0.4
102.05534	1.1
104.05326	0.6
107.04958	4.3
110.07163	1.9
110.09692	0.5
112.08749	0.8
112.11228	0.9
112.32404	0.4
114.03780	0.4
115.08685	0.8
116.01666	9.6
116.07109	1.1
118.98850	0.5
119.04923	0.6
120.08096	1.6
122.03647	9.3
125.00005	0.6
127.08662	0.6
129.06558	0.7
129.10217	3.3
130.05014	5.0
130.06522	0.5
133.06386	1.5
136.07553	1.8
136.08546	0.5
137.05974	100.0
138.06317	1.8
141.04669	0.5
142.03218	4.2
144.01132	5.0
145.06226	0.6
146.16487	0.5
150.94429	0.4
155.08144	0.8
157.06454	0.6
157.13435	0.5
162.02199	17.0
167.05698	0.5
170.02739	1.6
179.04851	34.0
181.09776	0.5
184.07370	1.9
185.16478	1.0
187.05321	0.8
208.13289	0.5
212.07538	0.6
213.16011	1.1
215.04861	0.7
216.09712	0.7
229.15474	1.0
229.43202	0.5
232.12967	0.6
233.05885	8.2
245.05998	1.6
247.11176	0.5
264.11115	0.5
264.15927	0.6
290.07941	0.5
291.06552	0.8
301.11914	0.8
308.09106	21.5
315.10352	0.5
338.19568	3.4
340.21216	0.6
355.22195	0.8
359.02859	1.1
383.16055	0.8
426.29492	2.6
444.30640	2.2
445.15921	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	443.3521
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
55.05514	41.1
57.07071	15.1
67.05505	21.1
69.07072	53.2
69.96733	5.9
69.97149	11.3
71.04993	3.4
71.08636	5.3
79.05493	22.8
81.07063	42.3
83.08627	30.7
84.08910	3.7
85.10167	5.3
91.05455	24.7
93.07056	34.4
95.04967	3.7
95.08598	40.6
97.06572	6.0
97.10172	10.5
104.23422	3.5
105.07031	31.4
107.04968	20.4
107.08589	22.4
109.06531	6.1
109.10187	29.3
111.11731	6.3
117.07026	11.0
119.04987	5.0
119.08575	26.2
121.06518	39.7
121.10161	12.1
123.08073	8.8
123.11713	10.8
127.11259	4.4
128.06230	3.9
129.07004	7.8
129.66980	3.7
131.04938	4.6
131.08557	25.2
133.06479	16.8
133.10135	20.8
135.08078	15.9
137.13240	5.5
141.06998	5.6
142.07767	4.6
143.08562	16.0
145.06488	6.9
145.10152	36.2
147.08049	13.0
147.11693	16.8
149.09654	9.0
155.08601	8.0
157.10086	16.6
159.08069	50.9
159.11705	24.5
161.09671	15.4
161.13232	5.1
169.02640	3.6
169.10170	7.6
171.08040	4.0
171.11716	13.1
173.09615	25.2
173.13266	15.3
175.11189	47.7
175.14865	4.5
183.11722	8.7
185.13284	12.5
187.11201	6.6
187.14821	5.4
189.12770	4.6
195.11635	3.3
197.13307	9.6
199.10902	4.2
199.14778	8.6
201.12733	68.3
203.14336	5.7
209.13326	8.4
211.11047	3.8
211.14821	9.2
213.16403	5.0
215.14307	43.1
219.13847	8.2
221.13274	3.9
223.14732	4.1
225.16464	4.6
227.14218	19.0
231.13867	6.7
233.15329	36.6
239.17825	4.3
243.17432	4.6
245.15312	22.1
247.16959	5.8
251.17947	7.1
257.19131	4.6
259.16989	6.1
266.78970	3.6
269.19067	6.1
285.18445	12.3
287.19971	61.8
301.21707	6.8
309.22177	5.3
313.21649	21.1
313.24966	8.4
315.23184	18.0
327.23260	11.8
341.24777	12.7
407.33368	22.8
413.33994	10.2
425.29120	6.3
425.34579	70.0
443.35553	100.0
444.35724	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	443.352
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
51.02385	1.0
52.21621	1.0
53.63660	1.1
55.05499	4.2
57.07076	7.7
62.93195	1.1
67.05506	4.7
69.07061	3.2
69.43811	8.5
69.44212	1.8
71.08607	2.2
79.05496	3.3
81.07051	13.2
83.08611	3.4
85.10183	86.8
86.10534	1.6
91.05489	6.1
92.40542	1.2
93.07037	18.3
94.47550	1.0
95.04956	1.6
95.08601	6.2
97.10173	1.8
98.98437	1.4
101.25322	1.1
104.86933	1.3
105.07051	4.3
105.51009	1.0
107.04972	1.7
107.08591	9.4
109.06499	1.6
109.10158	3.9
111.08087	4.6
113.09649	5.9
119.08601	4.8
121.06496	2.1
121.10154	12.5
123.08051	3.0
123.11742	2.3
129.07001	2.0
131.08603	2.1
133.10133	2.3
135.11673	2.8
137.09590	1.7
139.07541	12.6
143.08611	3.3
145.10168	3.3
147.11639	1.3
149.13161	1.7
155.01024	1.5
157.08638	3.5
157.10109	1.5
159.11641	1.9
161.13310	1.9
175.14835	1.8
177.16411	9.6
185.13228	9.5
187.14833	2.9
195.17439	2.0
203.14401	4.8
203.35414	1.1
207.43599	1.2
213.16431	1.3
213.27240	1.2
221.15424	4.4
223.16928	14.1
229.15918	1.9
231.17235	1.5
232.71404	1.1
407.33139	2.5
425.34116	20.8
443.35220	100.0
444.35516	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	443.3519
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
52.42477	2.3
52.98976	1.7
55.05519	18.6
57.07083	13.3
61.79029	2.0
67.05494	10.3
69.07080	24.8
69.60286	3.0
69.60686	11.8
69.85756	2.0
71.08646	11.7
79.05500	7.9
81.07035	16.2
83.08620	24.4
85.10197	8.6
91.05472	10.3
93.07043	27.5
95.04969	3.5
95.08596	13.8
97.06544	3.3
97.10181	7.5
105.07031	13.6
107.04935	2.7
107.08588	18.1
109.06535	3.6
109.10168	8.9
111.11707	4.2
117.07037	7.8
118.49438	2.2
119.08607	7.2
121.06513	11.8
121.10162	5.4
123.11715	3.2
129.07027	5.1
131.08559	11.7
133.06467	3.6
133.10181	6.0
135.08086	8.3
135.11714	3.8
137.09631	2.5
139.00084	1.9
139.07582	2.0
143.08597	5.7
145.06499	2.6
145.10143	12.1
147.08073	4.1
147.11746	8.7
149.09686	5.0
149.13254	2.9
151.07576	2.3
153.05569	2.2
153.09122	2.0
155.08612	3.0
157.10153	4.8
159.08090	14.0
159.11736	8.9
161.09688	5.0
163.07617	4.2
169.10210	3.7
171.11743	4.3
173.09619	11.0
173.13347	6.4
175.11232	3.5
177.09100	3.5
183.11713	7.6
185.13281	4.4
187.11244	5.2
187.14888	2.3
197.13333	3.6
201.12778	9.5
212.62895	2.5
215.14355	5.8
225.16470	3.9
229.15939	3.1
233.15341	3.6
235.13136	2.5
239.18013	5.6
243.13828	2.9
247.13405	4.2
249.14496	2.5
261.14963	8.0
261.18622	6.7
267.17542	4.2
271.17050	4.0
275.16501	7.5
275.20047	1.8
285.18460	12.2
287.20422	2.2
289.18039	3.1
299.23822	2.0
303.19794	7.7
309.22427	2.0
313.21921	2.6
317.24689	14.4
401.34283	2.5
407.33237	7.1
425.34131	22.6
443.35110	100.0
444.35278	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	443.3519
Annotation	Topsentisterol B2
Peak:m/z	Relative Intensity
53.03954	1.1
55.01867	1.8
55.05510	7.0
57.07083	9.8
58.14287	1.3
67.05495	3.5
69.03443	6.2
69.07063	16.8
71.03946	2.7
71.08630	6.8
79.05496	6.3
81.03413	2.1
81.07056	9.7
83.08619	9.4
85.02908	15.7
85.10192	3.2
87.87365	1.1
90.11567	1.2
91.05482	7.7
92.73271	1.2
93.07031	10.2
95.04993	3.3
95.08616	9.8
97.02895	4.7
97.10179	3.4
103.05479	5.4
105.07050	7.6
107.04956	78.6
107.08601	7.0
108.05331	2.4
109.02913	1.9
109.06538	2.0
109.10184	5.1
115.05495	3.4
117.06996	6.4
119.04952	1.8
119.08595	6.1
121.06544	4.2
121.10161	5.8
123.08060	1.6
123.11725	2.3
125.05987	1.2
127.03911	4.0
128.06241	2.4
129.07043	4.3
131.04932	20.0
131.05814	1.5
131.08543	7.2
133.06465	2.4
133.10172	2.5
135.08095	4.2
135.11684	2.3
137.72099	1.3
141.07001	3.1
143.08583	3.5
145.05243	1.6
145.06490	26.0
145.10112	13.7
147.08018	2.7
147.11742	2.9
149.06000	1.4
149.09637	3.2
149.13268	1.6
155.08607	3.6
157.06462	6.4
157.10170	4.0
159.08061	11.5
159.11711	5.6
161.09679	2.8
161.13310	1.3
163.11209	1.2
169.06534	8.0
169.10159	1.9
171.08127	1.3
171.11725	4.2
173.09622	27.2
173.11012	1.8
173.13306	4.0
175.11205	2.4
177.09254	1.6
177.28542	1.2
181.10168	1.8
183.11708	3.5
185.13388	3.2
187.11211	2.7
187.14783	1.5
193.10139	1.2
195.11794	1.5
197.13358	2.2
199.11232	1.5
199.14970	1.7
201.12753	15.6
201.14503	1.6
202.99193	1.2
203.14366	1.6
207.11865	1.4
211.14841	2.1
213.12859	1.8
215.14409	4.2
217.10130	1.4
219.08034	1.4
219.13991	2.1
220.08929	3.7
227.14342	2.4
229.16014	1.5
231.08195	1.8
233.15495	1.5
235.11206	3.6
236.08235	1.4
241.16060	1.6
243.13847	1.6
245.09665	3.2
248.08411	3.0
251.10634	14.9
252.10988	2.5
257.15536	4.4
263.10666	17.2
267.17551	3.7
271.16962	2.2
281.22610	1.4
285.18475	11.0
287.19943	2.1
299.23615	2.7
303.19653	9.6
304.19803	1.4
309.22256	1.5
311.61002	1.4
313.21674	3.2
313.25409	8.3
315.23135	1.7
317.24753	3.0
327.23376	2.7
335.26147	1.4
383.33142	1.8
407.33176	5.7
425.34167	24.4
426.34467	1.9
443.34805	100.0
444.35233	6.5
455.38062	1.3
460.65924	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	16.4
57.07080	26.5
67.05498	17.0
69.07073	28.3
70.78186	9.5
70.78582	8.7
71.08646	21.7
79.05497	7.2
81.07059	20.1
83.08631	25.8
85.10175	10.6
86.66135	3.9
91.05476	14.4
93.07041	36.6
95.08609	28.7
97.10173	6.8
99.02222	3.9
105.07023	23.1
107.04967	9.9
107.08618	15.1
109.06540	5.2
109.10150	23.1
111.11765	3.8
119.08585	12.3
121.06491	10.1
121.10141	11.1
123.11695	8.3
131.08572	16.4
133.06523	5.6
133.10135	15.1
135.08014	10.0
137.09648	11.3
139.07602	5.6
141.05449	3.9
143.08586	6.4
145.10152	13.7
147.08054	4.9
147.11685	8.7
149.09637	6.3
155.08577	6.2
157.10168	7.6
159.07980	9.7
159.11702	8.5
161.09630	6.3
166.74103	3.9
171.11749	8.9
173.09619	16.2
173.13287	6.7
175.36183	4.4
178.15047	4.0
183.11684	9.0
185.13382	4.1
191.10611	7.7
197.13335	5.7
201.12762	14.3
225.12871	4.6
233.15460	5.4
235.13145	5.7
239.17981	9.3
245.15509	5.8
261.14886	15.7
285.18579	13.9
287.20108	5.3
299.23608	5.4
303.19434	8.0
390.99939	4.4
407.33606	6.6
425.34052	36.3
443.33966	100.0
444.34738	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	443.352
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
52.06461	1.1
54.67576	1.0
55.05514	9.5
56.05039	1.5
56.96562	2.0
57.03450	1.7
57.07076	16.3
57.38257	1.0
58.07412	1.4
63.29998	1.0
67.05509	7.1
67.11664	1.1
69.03424	1.4
69.07069	22.2
69.93825	4.1
69.94234	2.7
70.08955	1.1
71.08633	7.7
72.08973	1.1
75.60574	1.0
79.05499	5.2
81.07061	11.4
83.08617	12.0
84.04504	23.7
85.02908	4.8
85.04860	4.4
85.10179	6.4
89.39034	1.0
91.05486	7.5
93.07045	14.0
95.04987	1.3
95.08591	11.5
96.08974	1.4
97.06508	1.2
97.10176	6.8
103.03959	4.1
105.03387	1.5
105.07028	8.2
107.04950	1.8
107.08585	6.9
109.06549	2.5
109.10163	7.4
111.08091	1.3
115.07587	1.3
117.07034	4.1
119.05002	1.7
119.06125	1.6
119.08574	6.3
121.06499	8.1
121.10171	4.0
123.08090	1.2
123.11710	3.6
126.05513	6.2
127.05933	1.7
129.06985	1.2
131.08588	8.2
133.06560	1.7
133.10143	4.0
133.27896	1.0
135.08084	3.5
135.11710	2.1
142.07744	1.3
143.08569	2.6
145.06474	1.8
145.10130	9.9
147.08037	7.3
147.11688	2.4
149.01225	6.6
149.09621	1.4
154.33267	1.0
155.08540	2.4
155.28877	1.3
156.03635	4.7
156.53793	1.4
157.10181	3.9
159.08058	16.6
159.11732	4.1
161.09686	2.9
161.13303	1.7
163.11256	1.3
167.02274	2.3
169.10178	2.0
171.08089	1.1
171.11717	2.2
173.09622	17.7
173.10986	1.3
173.13283	3.9
175.11293	2.9
177.09093	1.5
181.10101	1.4
183.11743	3.2
185.13269	2.6
186.07666	2.6
187.08041	1.3
187.11150	2.4
187.14870	1.6
191.10703	1.8
197.07315	3.4
197.13329	2.6
199.14952	1.8
201.12746	17.3
204.08762	3.2
211.11218	2.1
211.14857	2.5
215.14404	3.7
219.13867	5.7
225.16406	1.5
229.15981	4.1
231.13858	4.7
233.15408	2.0
239.18033	1.8
245.15353	1.9
247.17018	4.2
249.16457	1.3
253.16125	1.6
259.17010	1.5
266.14542	2.5
266.64825	6.0
267.14902	1.4
267.17493	3.1
271.17004	1.5
275.15405	2.2
275.65219	1.3
285.18411	5.5
287.16214	2.4
303.19720	1.5
313.21692	2.1
313.25363	4.8
317.24780	1.3
381.65482	1.1
397.34988	2.4
407.33124	4.7
425.34311	13.5
428.72046	1.4
443.35309	100.0
444.09021	1.6
444.35504	5.8
450.50085	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.352
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
50.99802	1.6
53.03934	4.0
53.07434	1.5
55.05511	46.6
57.06827	1.8
57.07074	22.8
60.48678	1.7
61.23069	1.5
67.05507	12.1
69.07069	49.7
69.60467	5.3
69.60892	7.1
71.08347	1.2
71.08636	15.6
74.73781	1.5
74.95425	1.5
79.05489	9.1
81.07058	27.5
83.05000	1.8
83.08615	100.0
85.10172	5.7
91.05473	12.9
93.06482	2.0
93.07042	29.8
95.04943	3.6
95.08602	29.6
95.96636	1.6
97.10162	17.2
98.20769	1.9
105.07020	19.7
107.04919	2.1
107.08577	15.5
109.06514	2.9
109.10149	13.0
111.08101	2.6
111.11705	2.9
117.06979	2.5
119.08585	13.5
119.20103	1.5
121.06455	2.8
121.10101	8.8
123.08047	2.7
123.11687	4.6
129.06960	3.7
130.07799	1.7
131.08583	15.8
133.06476	3.1
133.10127	9.7
135.08047	4.7
135.11688	4.5
137.13243	2.0
139.14827	3.1
141.06958	3.6
143.08540	6.9
145.06476	2.1
145.10146	9.2
147.08014	4.4
147.11687	5.1
149.09612	4.5
149.13210	3.8
155.08511	7.8
157.10130	10.9
159.07996	3.7
159.11691	5.6
160.11951	1.6
161.09605	6.4
161.13179	1.9
163.11205	4.0
163.14816	2.0
165.09103	3.1
169.10135	5.8
171.08060	1.6
171.11664	5.0
173.09599	5.4
173.13214	3.2
175.11177	4.4
177.12726	14.6
179.10684	8.4
181.10107	2.1
183.11668	6.7
185.09653	2.4
185.13239	5.7
187.11198	4.1
187.14729	2.4
189.12798	2.3
191.10724	2.7
197.13190	6.3
199.14760	3.9
201.12686	3.5
209.13274	3.2
211.14824	3.7
213.12708	3.9
215.14291	6.0
217.15778	2.5
221.13263	2.0
225.16354	3.9
227.14262	3.8
231.17247	3.5
233.15218	2.4
235.14841	2.0
239.14333	2.6
241.15839	2.4
245.15320	2.0
249.16409	2.8
251.17952	5.2
267.17337	2.6
269.18906	8.6
275.16330	1.6
285.18481	3.9
315.26752	4.2
317.24707	7.1
323.23782	2.7
331.26270	4.7
389.32047	4.6
407.33109	55.9
408.33301	3.9
425.34183	66.0
426.34323	5.2
443.35266	35.8
444.35257	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	24.9
57.07063	37.2
67.05469	16.6
69.07056	35.7
71.08622	33.5
71.57655	18.8
79.05466	37.4
81.07047	40.1
83.08624	24.1
85.10184	23.5
91.05485	36.7
93.07046	43.5
95.08604	61.8
97.10182	18.2
105.07041	50.3
106.58335	12.4
107.08584	95.3
109.10168	24.1
119.08578	33.1
119.37660	12.4
121.10101	16.9
125.09636	16.9
131.08539	29.2
133.10109	42.9
134.65244	11.9
135.08124	20.0
143.08498	18.5
145.10095	26.0
155.08536	16.4
157.10156	20.8
159.11693	20.3
161.13277	21.8
183.11652	29.6
211.14751	21.9
225.16348	13.3
261.18506	46.3
306.08456	11.5
357.27371	15.5
371.21921	12.6
382.40036	14.7
401.34222	22.8
407.32959	13.4
425.34253	21.9
442.44733	13.9
443.33887	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24439	0.4
60.04534	0.7
60.05651	5.7
61.91552	0.4
67.15732	0.4
69.07066	8.8
69.49532	3.8
70.06593	26.1
71.04982	0.9
72.04504	0.6
72.08159	2.7
79.05515	0.4
84.08131	1.6
85.02914	1.9
86.09705	100.0
87.10016	0.7
91.05492	1.0
97.02895	0.5
97.07634	0.6
103.05453	0.5
107.04951	7.7
112.08731	4.0
113.07093	0.9
115.08681	3.8
116.07092	8.1
119.04960	0.8
120.08076	0.5
128.10722	17.2
129.10223	1.0
130.09752	2.7
131.04892	2.4
131.11784	0.4
133.06546	0.5
133.09697	0.8
145.06473	1.4
147.04466	0.5
156.10181	1.0
156.11320	8.4
157.10875	0.9
158.09264	8.9
166.08467	0.4
169.06564	0.7
175.11903	16.6
183.14830	0.5
185.10255	0.5
202.07820	1.3
207.08173	0.5
217.10130	0.8
219.08041	1.2
220.08803	0.5
226.15593	0.4
235.07568	6.2
235.11259	0.6
236.08057	0.7
237.09317	0.5
243.08151	0.5
245.09680	1.0
248.08546	0.6
251.10710	1.5
251.17746	0.5
253.16649	0.5
263.10715	4.1
264.11172	0.4
269.18698	1.1
271.17648	9.2
281.11713	0.5
288.20270	1.0
360.83020	0.6
425.28723	0.8
443.19363	2.9
443.29788	95.3
444.29752	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	443.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.8
51.16685	0.7
53.03931	2.7
54.21574	0.9
55.01867	5.7
55.05261	1.0
55.05507	17.2
56.96554	1.1
57.03425	4.5
57.07056	2.4
62.48402	0.6
65.03922	2.8
67.05497	36.5
69.03404	1.8
69.07059	14.5
69.74819	4.5
70.06569	1.1
71.04963	2.2
73.02902	1.3
73.06569	0.7
77.03934	1.0
79.05486	33.8
81.03405	2.8
81.06570	1.6
81.07050	32.6
83.04969	3.9
83.08609	7.8
85.02891	1.8
85.06523	3.0
91.05472	44.7
93.03429	0.8
93.07034	24.1
95.04964	7.2
95.08599	17.1
97.02897	1.4
97.06531	4.3
97.10153	2.5
98.21463	1.1
99.04401	0.9
99.08074	1.1
103.05443	2.3
105.07018	30.1
107.04945	10.3
107.08585	11.6
109.06513	5.8
109.10138	7.6
111.08072	1.2
113.00021	1.6
113.01547	1.9
115.05434	6.1
116.06254	1.3
117.07001	23.1
119.04944	1.4
119.08568	18.0
120.08077	0.8
121.06495	7.3
121.10138	4.9
123.04430	1.2
123.08052	3.5
123.11673	1.7
125.09610	2.1
128.06216	10.4
129.06993	37.4
130.07806	1.7
131.04932	3.4
131.08553	32.8
133.06490	6.0
133.10098	10.1
135.04414	1.0
135.08020	4.8
135.11699	3.5
137.09555	3.8
141.01039	1.7
141.05948	1.2
141.06984	14.1
142.07777	3.5
143.08539	29.0
144.09306	0.9
145.06477	9.3
145.10109	18.2
147.08046	5.7
147.11681	3.6
149.09628	4.4
149.13245	1.1
151.07550	0.9
151.11180	1.3
153.07018	3.6
154.07771	2.8
155.06084	1.2
155.08540	22.3
156.09250	1.3
157.06464	3.1
157.10109	17.1
159.08040	4.1
159.11662	8.1
160.08795	1.3
161.06006	2.9
161.09618	3.1
161.13228	1.8
163.11241	1.6
165.06975	2.7
165.09087	1.1
166.07764	2.5
167.08543	10.0
168.09325	1.6
169.10106	15.5
170.10759	0.9
171.08035	3.0
171.11671	10.3
173.09605	2.5
173.13234	2.2
175.11143	3.3
178.07753	1.1
179.08534	4.5
180.09332	2.0
181.10100	9.9
182.10918	1.4
183.08058	1.2
183.11668	8.9
184.08803	0.6
185.09589	2.9
185.13252	5.7
187.11212	2.1
187.14752	1.7
189.12767	1.9
191.08467	0.9
191.10645	0.7
192.09248	1.2
193.10115	5.3
193.11710	0.8
194.10974	1.0
195.11674	7.9
196.12230	1.1
197.09619	2.5
197.13214	5.9
198.10573	0.7
199.11200	2.5
199.14771	3.9
201.12793	2.4
201.16301	0.9
203.14224	1.1
205.10112	1.5
206.10907	1.1
207.11687	5.6
208.12570	0.9
209.13206	6.8
211.11143	2.6
211.14790	3.8
213.12726	6.1
213.16354	1.8
215.14333	2.1
217.15894	1.9
219.11673	1.8
219.13867	0.7
221.13239	6.7
223.11211	0.8
223.14825	5.4
225.12794	2.6
225.16345	2.4
227.14403	4.2
229.15924	1.4
231.13794	1.6
233.13258	2.2
233.15372	1.2
235.14812	5.4
235.16809	1.1
237.12679	1.1
237.16362	1.9
239.14241	4.4
241.15842	2.2
243.13770	1.0
243.17383	1.1
245.15411	2.0
249.16437	2.1
251.10602	1.4
251.14282	0.8
253.15862	4.2
255.13948	0.7
255.17366	1.1
257.15393	3.1
257.18848	0.7
259.17010	1.8
263.10815	1.1
263.14270	0.8
265.15927	0.8
267.17355	1.6
269.15253	0.8
271.16910	3.0
273.18582	1.0
275.16479	0.9
285.18460	1.5
292.16159	0.7
305.22614	2.5
315.21008	0.8
323.23767	5.1
331.19028	1.4
333.22101	8.1
341.24750	7.1
345.20724	1.1
351.23126	30.1
352.23380	1.6
369.24213	41.1
370.24747	1.1
387.25217	14.3
389.24698	1.1
407.25867	1.1
415.28232	1.2
425.26794	7.2
443.27893	100.0
443.96313	1.9
444.28296	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	443.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	12.2
55.01853	12.6
55.05506	25.4
57.03439	21.5
61.02922	51.8
65.03945	3.6
66.49129	3.5
67.05499	71.9
67.09637	3.2
69.03426	36.0
69.07070	27.5
69.47556	29.3
70.06577	9.4
71.05004	7.0
72.08128	4.5
73.02922	19.8
79.00764	3.6
79.05054	6.1
79.05486	79.1
80.05016	4.2
81.03411	41.4
81.07056	74.9
83.04972	20.1
83.08609	13.8
84.08145	4.7
84.62883	4.4
85.02424	4.9
85.02900	58.2
85.06525	9.5
86.09686	9.0
87.04451	15.1
91.03936	26.2
91.05470	70.4
93.07032	100.0
95.04962	35.6
95.08606	50.3
97.02892	39.5
97.06509	9.3
99.04431	11.9
99.08072	9.8
101.02358	9.6
103.03922	7.6
105.07019	63.2
107.04948	50.1
107.08596	39.1
109.02857	16.2
109.06515	9.4
109.10128	15.5
111.08015	4.6
111.11735	6.4
112.99933	5.5
115.03884	6.4
115.05465	4.9
116.72852	3.8
117.07002	17.5
119.01641	6.1
119.08547	39.6
121.06495	14.6
121.10123	16.2
122.02707	5.9
123.08028	9.9
123.11703	4.5
125.09603	4.9
127.03897	28.3
127.28172	4.5
129.06999	21.6
131.08560	22.3
133.06462	4.8
133.10127	21.6
133.10945	4.3
135.11673	11.9
137.05925	4.5
143.08548	13.4
145.04967	6.9
145.06459	12.8
145.10103	28.7
147.07993	7.2
147.11674	51.2
149.13194	5.3
150.07791	4.1
157.10033	9.8
159.11705	12.1
161.09604	6.4
161.13206	19.8
163.11205	8.5
163.14781	7.5
165.09041	8.2
169.10104	5.8
171.11679	49.2
173.09557	5.2
173.13187	7.9
175.14836	4.8
177.16267	4.1
183.06540	4.8
185.13121	4.4
189.12775	21.8
189.16444	4.4
201.16261	5.8
207.13792	37.1
225.12715	4.8
239.18082	4.8
249.18674	4.8
257.19043	7.7
263.07175	9.1
281.08435	7.9
281.17447	62.3
287.16321	7.5
301.07071	4.7
309.17316	4.5
375.04004	11.4
389.19305	4.5
399.19904	7.4
407.20483	8.3
443.18954	15.2
443.28397	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	443.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65596	2.2
53.03951	4.2
55.01868	14.3
55.05513	15.4
56.96572	7.4
57.03432	15.6
57.07082	5.0
65.03937	3.0
67.05502	26.0
67.05788	2.6
69.03414	3.1
69.07071	20.4
69.62125	13.1
69.62558	5.8
70.06604	10.8
71.05014	3.2
72.08173	3.7
77.02303	2.2
79.01607	2.6
79.05492	28.4
79.47401	2.1
81.03422	5.3
81.07045	30.5
83.08636	11.5
87.36141	2.8
88.73270	2.2
91.05476	49.3
92.05820	2.6
93.07043	32.4
95.04987	7.0
95.08605	25.6
97.06577	4.7
98.98480	2.5
103.05460	4.2
105.07025	47.0
107.04951	28.6
107.08588	22.7
109.06516	7.3
109.10149	15.9
113.00015	100.0
115.05461	9.9
117.07008	44.5
119.04928	6.7
119.08582	44.7
121.06529	7.0
121.10150	11.2
122.10543	3.3
123.08119	6.1
123.11749	5.1
128.06224	5.8
129.05498	15.1
129.06981	17.4
131.04951	6.2
131.08565	51.7
133.06509	6.6
133.10152	23.3
135.08083	7.4
135.11722	7.4
137.13307	3.9
141.07008	6.8
142.07767	4.3
143.08560	16.8
144.09428	3.3
145.06459	16.9
145.10121	43.4
147.08075	5.3
147.11676	17.0
149.09622	4.4
149.13284	3.3
153.07030	3.0
155.07173	4.3
155.08566	9.5
157.06506	9.7
157.10126	13.8
159.08084	6.9
159.11688	45.3
161.05998	5.2
161.09651	5.4
161.13271	8.5
165.06998	3.3
165.09172	3.6
167.08528	3.1
168.09348	3.1
169.02611	28.3
169.06548	3.1
169.08798	3.9
169.10158	15.1
171.04430	3.9
171.11690	22.6
172.95262	5.9
173.09657	6.6
173.13231	36.4
175.11218	4.3
177.12811	4.5
179.08534	2.7
183.08109	2.5
183.11661	11.6
184.77147	2.8
185.06033	3.9
185.13289	9.8
187.03670	16.2
187.11237	7.4
187.14760	3.6
189.12874	4.2
193.10138	4.2
197.05913	4.7
197.13258	12.2
201.12793	6.8
201.16365	5.3
203.08675	3.5
203.14330	3.6
207.08089	7.9
211.14854	4.1
213.16354	12.4
215.14465	5.5
215.17970	25.0
219.17513	4.3
223.07564	7.9
225.09160	9.7
225.16432	3.0
229.19478	14.2
231.08199	7.6
234.06755	3.5
235.07545	17.8
239.07077	6.9
239.17906	41.2
247.07649	3.3
249.09117	6.0
251.07123	3.9
253.08540	5.5
257.18997	79.2
259.07626	9.1
260.08151	3.1
265.42715	2.4
273.18439	2.8
275.17209	2.5
275.20087	11.0
302.10687	3.5
306.10458	3.0
307.12009	5.0
313.21671	7.4
325.08954	3.0
330.13910	2.4
331.11478	3.3
331.22681	48.5
332.23019	3.5
335.10669	4.5
349.12592	3.6
361.12061	3.2
367.13303	7.4
369.19397	3.3
377.11789	5.6
379.13278	9.9
381.11191	4.1
385.14429	8.0
389.11853	3.3
395.12839	11.0
397.14481	8.2
407.12820	11.4
407.29749	4.0
413.13794	16.6
425.13800	4.6
425.30026	12.1
443.10989	4.8
443.22769	4.1
443.31860	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	443.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.6
55.05502	1.5
56.05027	0.4
56.96569	0.3
57.03429	0.7
57.07080	0.2
65.03931	2.4
65.51556	0.2
66.89945	0.2
67.05499	2.9
68.99780	0.2
69.03416	0.3
69.07062	1.5
70.00394	0.2
70.06577	0.3
71.01348	0.2
71.04986	0.2
71.08624	0.9
71.59599	0.2
71.59993	0.2
79.01853	0.2
79.05489	2.5
80.86890	0.2
81.03410	0.4
81.07051	3.2
83.04965	0.4
83.06100	0.8
83.08620	0.9
84.04499	3.0
84.08134	0.2
85.02914	0.3
85.06548	0.4
86.06071	0.2
88.11259	5.9
91.05473	3.6
93.07034	2.3
95.04961	0.6
95.08592	1.8
97.02910	0.2
97.06522	0.3
97.07708	0.3
97.10143	0.4
98.06042	1.4
103.05464	0.4
105.07013	3.0
107.04946	3.9
107.05616	0.3
107.08584	1.2
109.02773	0.2
109.06470	0.5
109.10126	1.0
111.04436	2.1
111.08073	0.2
113.00009	2.3
115.05457	0.2
117.07003	2.6
119.08557	1.9
121.02856	100.0
121.10149	0.5
122.03194	1.4
123.08073	0.4
127.07642	0.2
128.06247	0.8
129.07007	2.8
130.04973	0.3
130.07813	0.2
131.04958	0.5
131.08559	2.8
133.06505	0.6
133.10098	1.1
135.08032	0.5
135.11664	0.4
137.09601	0.4
138.05504	0.2
141.06989	1.3
142.07761	0.5
143.08536	2.1
145.06497	1.0
145.10091	2.0
147.08029	0.5
147.11661	0.6
149.09613	0.6
151.07518	0.4
153.07021	0.4
153.13828	2.8
154.12241	2.2
155.08531	1.8
157.06462	0.4
157.10103	1.5
159.08035	0.4
159.11650	1.1
161.09624	0.3
161.13248	0.2
163.11174	0.2
165.06917	0.4
165.09169	0.2
167.08543	0.7
169.02609	0.8
169.06517	0.3
169.10049	1.2
171.11716	0.8
171.14909	10.7
173.09509	0.3
173.13283	0.6
175.11188	0.5
177.09052	0.3
179.08566	0.3
181.10124	1.0
182.36655	0.2
183.11688	0.8
185.13275	0.5
187.11322	0.2
191.10730	0.2
193.10117	0.3
195.11670	0.8
197.09689	0.2
197.13255	0.5
199.14401	13.7
200.12903	1.6
200.14758	0.3
207.11552	0.4
209.13290	0.6
211.14743	0.3
213.12747	0.4
215.14244	0.2
217.15663	0.3
221.13216	0.5
223.14777	0.3
225.12698	0.3
227.06993	0.9
227.14377	0.2
233.13173	0.2
235.14784	0.3
239.14203	0.4
239.17957	0.7
253.15929	0.5
257.15527	0.2
257.18951	1.3
271.16840	0.5
275.19974	0.4
292.39249	0.2
319.16418	0.4
323.23520	0.4
331.22644	1.1
333.21957	0.7
341.24619	0.3
351.23190	2.1
369.24203	2.1
387.25140	0.8
413.58258	0.2
425.20483	0.5
425.26758	0.5
443.21719	1.2
443.27783	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	443.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.8
55.05510	25.0
56.05027	4.7
57.03438	18.0
65.03952	3.2
67.05506	37.8
68.05840	3.1
69.03432	2.9
69.07075	21.3
70.06589	37.6
70.77931	6.5
70.78257	3.1
71.04992	14.7
71.06902	4.6
72.08149	17.7
76.94674	2.4
79.05507	24.1
80.53876	2.6
81.03409	3.5
81.07057	54.1
82.07388	5.3
83.08611	10.5
84.04489	7.0
84.08134	18.9
85.02895	4.2
85.06538	5.6
86.09705	21.4
91.05476	24.6
93.07047	18.8
95.04968	4.4
95.08602	53.5
97.02883	3.1
97.06528	12.1
97.10192	4.1
98.98449	16.8
103.05445	5.4
105.07020	21.3
107.04967	38.4
107.08588	12.2
109.06470	3.4
109.10178	11.1
110.07165	5.4
111.08092	3.8
117.07004	7.8
119.04930	2.9
119.08569	15.5
120.08105	10.7
121.10147	5.2
122.06025	3.1
127.07593	3.4
129.10237	8.2
131.04932	5.0
131.08580	6.5
133.06516	3.1
133.10138	14.0
135.11684	6.6
143.08551	4.4
145.06467	6.6
155.01077	4.3
157.06401	3.8
161.13205	16.5
173.02106	5.6
173.09714	3.5
179.14328	9.7
184.07364	5.4
237.08980	3.0
239.18227	3.8
251.10768	4.6
253.18170	4.5
255.13965	4.2
263.10745	4.3
271.19058	100.0
302.20468	22.3
375.17343	5.1
393.18729	9.5
443.25934	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	443.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.01870	3.5
55.05495	2.2
56.96555	2.0
58.74145	0.9
61.02932	1.6
61.37535	0.8
65.08702	1.0
65.50091	1.1
66.60176	1.0
67.05486	4.6
68.05024	1.0
69.03067	0.9
69.03421	2.1
69.07054	2.3
70.06589	5.6
71.04957	1.0
72.08143	2.3
73.02905	1.2
76.02232	1.7
79.05489	5.0
81.03423	2.7
81.07060	4.9
81.91792	1.0
84.04461	1.2
84.08133	2.4
85.02897	2.7
86.09698	2.4
87.02722	1.0
91.05479	5.5
92.01591	0.9
93.07056	4.9
95.04984	6.0
95.08592	4.6
97.02867	1.7
97.06532	7.4
98.21501	2.1
105.07033	3.7
107.04954	16.3
107.08582	3.5
109.02910	1.2
109.06511	1.2
109.10155	2.8
113.00042	1.5
116.98643	1.0
117.06992	2.0
119.01643	4.9
119.08573	3.6
119.09379	1.2
120.01929	1.1
120.08022	1.2
121.06524	1.9
121.10130	2.7
122.02721	1.6
126.46634	1.3
127.03924	1.4
129.06993	1.3
131.08521	1.6
133.10133	2.2
135.11736	1.2
137.09721	1.0
143.08492	1.4
145.06433	1.5
145.10110	2.2
147.11722	1.4
151.07527	1.1
155.08572	1.7
157.06494	1.0
162.02246	1.3
165.09103	3.6
173.02919	1.3
179.04832	1.4
185.04271	1.3
193.12335	1.0
195.13521	2.3
205.82091	1.0
208.06380	1.4
250.61375	1.0
272.12927	1.1
357.18805	10.1
399.19916	39.5
400.20334	1.4
443.18869	100.0
443.25885	4.2
444.19043	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	6.9
55.05501	2.4
56.05037	2.3
57.03431	3.0
59.06103	5.3
67.05504	5.2
68.21731	2.1
69.03425	5.1
69.49078	13.7
70.06590	13.1
71.23930	2.2
72.08147	6.0
73.02906	3.0
79.05504	6.6
79.76453	2.1
81.03418	4.8
81.07040	3.9
84.04506	4.3
84.08150	4.8
85.02914	16.6
85.07658	4.9
86.03220	2.1
86.09712	9.1
87.00839	4.5
91.05478	12.9
93.07033	3.9
95.04987	3.9
95.08586	3.2
103.05479	15.0
104.11525	2.3
105.01893	6.7
105.07043	13.4
106.02226	2.4
107.04953	41.4
108.87433	2.1
110.07214	3.0
111.06483	2.5
114.41264	2.5
115.05454	10.3
117.07010	11.3
121.02879	4.4
121.06504	4.5
127.03918	6.0
128.06223	7.8
129.07002	37.3
131.04942	18.2
131.08591	4.9
132.05763	3.2
133.06485	26.2
137.72278	2.3
141.07033	5.2
144.05693	2.8
145.04950	4.2
145.06508	30.7
146.30258	2.3
147.04442	3.8
149.05908	2.8
150.07771	2.6
153.06972	4.5
155.04861	3.1
157.06499	84.1
159.04413	3.6
159.08057	5.5
165.07045	8.6
167.08676	2.7
169.06493	19.7
173.05916	3.1
177.06873	2.6
178.07748	14.3
179.08551	6.3
181.06531	3.5
184.07338	3.2
187.07556	13.1
189.06992	6.8
190.07860	5.6
191.08560	9.6
193.10138	10.2
194.07309	5.1
195.08011	4.7
197.05997	3.6
202.07787	35.9
203.08565	42.3
204.09161	3.7
205.06493	6.5
205.10152	3.4
206.07314	7.7
207.08044	8.3
209.09691	3.8
215.08580	6.4
218.07291	9.2
219.08073	24.8
220.08737	3.6
221.06087	13.1
221.09624	37.7
222.06741	2.9
223.07547	9.2
225.09169	6.6
231.08057	53.0
232.08708	4.4
233.09595	8.7
234.06844	16.8
235.07509	15.8
236.08252	3.3
237.09114	53.1
245.09604	3.2
247.07547	3.0
248.08391	4.3
249.09120	100.0
250.09705	4.7
251.07024	4.0
251.10747	8.6
253.08624	5.0
261.09012	11.4
262.09976	3.7
263.10721	7.4
267.09995	2.5
279.10165	5.1
281.11746	6.8
349.82437	2.5
367.13522	2.6
371.01596	2.3
381.14752	5.1
393.14865	4.6
395.12582	3.6
397.61404	2.3
413.13748	4.7
443.14587	3.7
443.25848	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	6.9
55.05501	2.4
56.05037	2.3
57.03431	3.0
59.06103	5.3
67.05504	5.2
68.21731	2.1
69.03425	5.1
69.49078	13.7
70.06590	13.1
71.23930	2.2
72.08147	6.0
73.02906	3.0
79.05504	6.6
79.76453	2.1
81.03418	4.8
81.07040	3.9
84.04506	4.3
84.08150	4.8
85.02914	16.6
85.07658	4.9
86.03220	2.1
86.09712	9.1
87.00839	4.5
91.05478	12.9
93.07033	3.9
95.04987	3.9
95.08586	3.2
103.05479	15.0
104.11525	2.3
105.01893	6.7
105.07043	13.4
106.02226	2.4
107.04953	41.4
108.87433	2.1
110.07214	3.0
111.06483	2.5
114.41264	2.5
115.05454	10.3
117.07010	11.3
121.02879	4.4
121.06504	4.5
127.03918	6.0
128.06223	7.8
129.07002	37.3
131.04942	18.2
131.08591	4.9
132.05763	3.2
133.06485	26.2
137.72278	2.3
141.07033	5.2
144.05693	2.8
145.04950	4.2
145.06508	30.7
146.30258	2.3
147.04442	3.8
149.05908	2.8
150.07771	2.6
153.06972	4.5
155.04861	3.1
157.06499	84.1
159.04413	3.6
159.08057	5.5
165.07045	8.6
167.08676	2.7
169.06493	19.7
173.05916	3.1
177.06873	2.6
178.07748	14.3
179.08551	6.3
181.06531	3.5
184.07338	3.2
187.07556	13.1
189.06992	6.8
190.07860	5.6
191.08560	9.6
193.10138	10.2
194.07309	5.1
195.08011	4.7
197.05997	3.6
202.07787	35.9
203.08565	42.3
204.09161	3.7
205.06493	6.5
205.10152	3.4
206.07314	7.7
207.08044	8.3
209.09691	3.8
215.08580	6.4
218.07291	9.2
219.08073	24.8
220.08737	3.6
221.06087	13.1
221.09624	37.7
222.06741	2.9
223.07547	9.2
225.09169	6.6
231.08057	53.0
232.08708	4.4
233.09595	8.7
234.06844	16.8
235.07509	15.8
236.08252	3.3
237.09114	53.1
245.09604	3.2
247.07547	3.0
248.08391	4.3
249.09120	100.0
250.09705	4.7
251.07024	4.0
251.10747	8.6
253.08624	5.0
261.09012	11.4
262.09976	3.7
263.10721	7.4
267.09995	2.5
279.10165	5.1
281.11746	6.8
349.82437	2.5
367.13522	2.6
371.01596	2.3
381.14752	5.1
393.14865	4.6
395.12582	3.6
397.61404	2.3
413.13748	4.7
443.14587	3.7
443.25848	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.05496	0.8
57.03422	0.6
65.03935	0.8
67.05480	0.9
69.03415	1.2
70.06586	6.3
71.60017	0.9
72.08140	1.9
79.05511	1.4
79.94159	0.5
81.03382	0.9
81.07079	0.8
84.04521	1.3
84.08128	1.5
85.02908	2.9
86.09708	4.3
89.23633	0.6
91.05465	3.2
93.05761	0.8
93.06990	0.6
94.06576	0.8
95.04948	1.2
97.02855	0.7
106.06547	25.9
107.04948	14.6
107.07305	1.8
108.08072	0.7
110.07124	0.7
111.04434	0.9
116.04993	1.1
116.07063	0.9
117.05737	0.9
118.06548	1.5
119.04981	0.7
120.08118	1.3
121.02857	23.5
122.06029	1.4
124.07607	0.5
126.09170	0.7
127.03925	0.8
129.10213	0.9
130.06540	2.8
131.04897	0.7
131.07263	0.8
133.10107	0.6
136.07596	1.1
140.07076	0.7
145.06468	1.4
146.06004	2.2
148.07562	20.1
149.00517	0.9
150.05507	4.6
152.07066	0.6
164.07056	6.6
166.08627	100.0
167.08954	1.2
169.06540	0.7
174.05304	0.8
192.06538	6.3
195.01129	5.6
198.09152	6.2
199.06242	2.0
208.07547	0.8
209.08351	2.7
212.10622	1.2
222.09145	0.8
224.07120	1.2
224.10687	29.9
225.07870	1.0
225.11121	0.7
226.08607	18.5
227.09152	0.6
227.11795	2.1
237.14250	0.6
240.10207	6.2
242.11829	0.6
244.09641	0.8
245.04277	0.6
246.14809	1.3
250.08614	1.9
263.10669	1.5
268.09659	17.1
269.10120	0.8
269.12830	2.6
286.10715	68.1
287.11066	2.0
287.13901	9.6
301.11688	0.7
305.14877	2.0
323.16141	0.7
338.17477	1.1
392.95181	0.7
407.15781	1.1
425.17056	1.4
443.13300	2.3
443.18381	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	443.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.8
57.03422	1.4
57.07063	2.6
61.02917	3.3
67.05515	1.3
67.78117	1.2
69.03420	7.8
69.07059	5.6
70.85687	1.8
70.86018	2.2
71.08631	2.2
77.12864	1.2
79.05489	2.6
81.03413	2.7
81.07056	3.1
83.08614	5.1
85.02905	15.8
85.84232	1.4
87.04434	1.5
91.05464	5.9
93.07029	2.3
95.04956	3.6
95.08598	3.7
97.02878	5.7
97.10126	1.4
103.05447	3.4
105.07011	4.4
107.04955	97.5
107.08562	2.0
109.02860	1.2
109.10143	3.0
112.00277	1.2
115.05443	2.8
117.07004	4.6
119.04960	1.3
119.08591	1.9
121.06507	1.6
121.10133	3.7
127.03925	4.4
129.06999	5.1
131.04926	22.3
131.08577	3.1
132.05695	2.9
133.10118	2.4
135.08095	1.8
141.06956	3.4
143.08629	1.6
145.04921	1.9
145.05139	2.0
145.06480	29.0
145.10130	2.7
157.06483	11.0
157.10094	1.5
159.08028	3.6
159.11659	2.0
169.06488	10.5
173.09576	4.6
173.13184	1.6
175.07594	1.9
177.16264	1.3
195.08006	1.5
201.12723	3.4
202.07805	2.7
215.14363	1.8
220.08810	3.7
223.07455	1.5
228.87065	1.2
231.08200	1.4
235.11124	4.7
245.09624	2.6
247.07556	1.8
248.08362	2.6
251.10670	22.5
263.10672	22.3
303.19568	1.4
313.21378	1.4
313.25146	2.1
425.34222	8.0
443.33508	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.01855	1.4
55.05503	1.7
56.03113	0.6
56.05038	1.4
57.03432	1.6
57.07849	0.6
61.02922	1.7
65.03930	1.0
67.05502	0.9
69.03435	5.1
69.07069	0.9
69.70764	3.6
70.06595	8.9
71.04984	0.9
72.08157	5.2
73.02917	1.0
74.06077	0.9
76.02190	0.6
79.05480	3.5
81.03419	2.5
81.07052	1.5
82.51826	0.5
83.04976	0.9
84.04494	2.7
84.08136	5.0
85.02908	13.2
86.09698	8.4
87.04446	0.8
91.03948	0.9
91.05485	3.5
93.07050	1.4
95.04961	3.5
97.02884	4.5
99.04472	1.0
103.05459	7.6
105.04558	0.8
105.07050	1.6
106.06576	0.7
107.04955	100.0
108.05305	1.0
109.02905	1.6
110.07186	1.6
113.89107	0.6
115.05451	3.3
117.07046	4.4
119.04961	3.2
119.08507	0.7
120.08117	3.1
121.02866	4.5
121.06481	1.6
121.10215	0.6
124.99983	0.7
127.03938	2.6
128.06233	1.2
129.07008	6.2
129.10237	1.8
131.04930	26.2
131.08366	0.6
132.05768	3.0
133.06520	1.5
135.04391	1.2
137.06020	0.6
141.07018	2.8
142.07693	0.6
145.06482	27.9
147.04488	1.4
147.07991	1.3
149.05966	1.5
157.06485	10.6
159.08073	0.7
166.08632	1.7
169.06499	10.8
171.07947	0.8
175.07527	1.8
179.08575	0.7
184.07352	1.9
185.16463	0.9
187.07495	1.5
192.09358	0.8
194.07249	0.8
195.08031	1.5
202.07790	3.4
203.08673	1.2
203.33035	0.6
205.10223	0.9
207.08148	1.7
207.11676	0.7
208.08910	1.0
210.06830	0.7
213.15927	1.0
215.08426	1.2
217.10208	1.7
219.08107	2.5
220.08740	2.8
221.09427	0.9
223.07616	2.1
223.11189	1.4
225.09218	1.2
231.08093	1.5
231.17003	0.7
233.09660	2.2
235.07664	1.2
235.11211	5.6
236.08328	2.2
245.09634	3.2
246.10399	1.0
247.07574	1.7
248.08426	3.2
251.10677	21.8
263.07675	1.2
263.10669	25.0
264.10995	0.7
267.95078	0.7
281.11792	1.0
286.10825	0.9
307.11493	0.8
354.23630	0.7
383.34180	0.6
399.25192	0.7
425.18143	0.7
434.93802	0.6
443.18857	1.9
458.74307	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03698	0.6
53.03944	3.2
55.01862	1.2
55.05503	1.4
56.96551	1.4
57.03424	2.8
61.02926	3.9
67.05499	1.0
69.03429	9.9
70.06588	5.5
71.04984	3.5
71.59695	0.8
72.08168	3.0
73.02907	1.3
79.05508	3.1
80.04988	0.8
81.03411	4.5
81.07072	0.8
83.04973	1.0
84.08132	2.1
85.02901	26.5
86.06046	0.9
86.09711	2.5
87.04461	2.2
89.06022	0.8
89.39668	0.6
91.03969	1.8
91.05493	3.7
93.07034	0.6
95.04965	2.6
95.06163	0.6
97.02890	8.3
99.04470	2.1
103.05493	3.9
104.35687	0.6
105.07015	1.0
107.04952	100.0
108.05276	2.9
109.02875	3.2
110.07191	0.7
110.09698	1.7
115.05460	2.0
117.07013	2.5
119.04946	2.7
120.08129	1.5
121.02869	0.7
121.06503	1.8
122.06020	0.6
127.03927	4.6
127.12331	1.0
128.06258	0.7
129.07004	2.6
129.10278	1.1
131.04922	18.4
132.05693	2.5
133.06468	2.0
136.07562	1.5
141.07013	2.2
145.04951	2.5
145.06482	19.2
145.07645	1.2
147.04370	1.5
157.06483	6.7
161.01215	0.7
164.07037	0.6
165.06786	0.7
169.06509	7.6
170.07364	0.9
171.08064	1.7
175.03957	1.5
175.07455	1.3
187.07564	1.8
192.09396	0.7
194.07298	0.7
195.08102	0.9
202.07819	2.4
203.08539	0.9
205.06586	0.7
207.06407	1.1
207.08107	2.0
207.11870	0.8
210.17642	0.7
217.10199	1.0
218.07336	1.0
219.08031	1.6
220.08755	3.5
223.07532	1.0
223.11087	0.7
231.08191	1.3
233.09625	1.3
235.11143	2.7
236.08424	1.0
237.02553	0.8
244.09128	0.8
245.09659	2.7
247.07634	1.8
248.08331	2.7
251.10652	14.6
261.09286	0.7
263.10669	17.7
263.13528	0.9
265.12335	1.0
286.10773	0.8
287.11530	1.1
299.05630	1.0
355.21094	1.3
374.25381	0.8
393.09760	1.9
443.18604	4.8
443.24710	0.9
467.06693	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
55.01863	1.3
57.03442	1.2
61.02918	1.6
69.03431	3.9
70.06600	3.1
72.08158	1.7
73.02915	0.8
79.05486	1.9
81.03429	1.3
84.08144	1.4
85.02908	11.1
86.09710	3.0
91.05492	3.4
95.04974	2.6
97.02886	2.9
99.04413	0.8
101.56303	0.5
103.05466	7.2
106.86328	0.6
107.04955	100.0
108.05296	2.0
109.02885	0.9
115.05450	3.4
117.07021	3.9
119.04943	3.0
127.03939	2.6
128.06230	1.6
129.07019	5.6
131.04932	27.2
132.05751	3.0
133.06516	1.0
141.06970	3.1
145.06483	28.6
146.06757	0.5
149.06023	1.0
157.06494	12.2
159.56224	0.6
169.06502	9.8
170.07251	1.1
175.07570	1.4
178.07829	0.7
179.08669	0.7
181.06555	0.8
187.07590	1.3
189.06944	0.9
192.09145	0.7
194.07237	1.3
195.08102	1.3
202.07796	3.8
203.08481	0.8
205.10190	0.7
207.08086	2.0
210.06873	0.6
215.08571	2.1
216.09337	1.0
217.10086	1.4
218.07199	0.9
219.08171	2.7
220.08838	4.7
221.09683	0.7
223.07565	1.7
223.11214	1.2
226.07861	0.8
227.08481	0.9
231.08148	1.4
233.09642	1.6
235.07520	2.4
235.11119	5.6
236.08340	1.8
244.08850	0.7
245.09619	3.9
246.10316	1.3
247.07549	2.0
248.08377	2.5
251.10689	23.1
251.13319	1.2
252.11063	0.8
261.09103	1.2
263.10684	27.9
264.10956	0.8
281.11798	1.1
394.00015	0.5
443.29883	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03969	1.8
55.01867	2.6
55.05495	2.0
56.05026	4.8
56.96585	1.5
57.03423	4.8
58.09606	1.3
60.04520	3.8
61.01178	1.4
61.02917	6.5
61.49249	1.4
62.05693	1.6
69.03429	21.1
69.37449	9.9
69.37852	3.2
70.06592	49.3
71.04967	1.5
71.06930	2.3
72.08159	16.2
73.02912	3.4
74.06079	3.7
79.05474	4.3
79.71770	1.3
81.03426	7.5
83.06112	2.7
84.04507	13.1
84.07693	1.8
84.08143	20.6
85.02434	2.4
85.02905	40.5
86.09709	21.6
87.04449	4.0
87.10033	1.8
91.03953	2.2
91.05473	4.2
93.04509	2.0
95.04966	3.5
97.02898	14.8
98.06068	2.3
99.04463	2.6
102.05495	2.6
103.05426	7.3
104.05302	3.4
104.10771	2.7
105.07018	5.2
107.04952	100.0
109.02866	5.0
110.07172	17.9
112.08741	1.4
114.09146	9.0
115.05451	2.6
115.08701	1.8
117.07032	2.9
119.04945	3.5
120.08125	3.9
121.06445	1.7
123.04410	2.0
123.09269	1.5
126.05444	1.6
127.03910	9.8
129.06989	3.5
129.10225	10.2
130.04991	5.1
131.04921	21.0
132.05667	2.4
133.06496	18.8
136.07579	2.7
141.07016	1.4
143.05626	1.5
145.05153	2.9
145.06476	29.3
147.07709	2.6
149.06012	3.4
150.09081	1.8
155.08168	1.9
157.06464	7.9
159.08009	2.4
169.06479	6.4
169.13457	1.8
175.07544	1.4
178.08652	1.7
181.06297	1.5
184.07344	4.8
187.07497	1.9
201.12378	2.3
202.07690	1.9
205.15723	1.5
215.08554	2.1
217.10068	1.7
219.07927	1.7
220.08774	4.4
225.02116	4.2
231.07930	1.8
235.07841	1.5
235.11266	4.3
237.02861	1.7
245.09592	3.8
248.08420	1.9
251.10651	17.3
263.10675	18.1
275.10651	3.0
281.04651	6.5
281.11667	5.4
293.11554	1.7
323.15948	4.5
443.17560	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56160	0.6
53.03936	0.8
53.44767	0.7
55.01869	0.8
57.03436	1.0
61.02937	1.2
69.03423	2.6
69.34608	4.3
69.35034	1.6
71.05000	0.7
79.05493	1.8
81.03409	0.9
84.08119	0.8
85.02901	11.3
86.09710	0.8
91.03903	0.6
91.05476	2.3
95.04949	1.8
97.02878	2.8
99.04489	0.9
100.13196	0.7
102.72929	0.6
103.05475	6.7
107.04952	100.0
108.05312	1.9
109.02880	1.1
115.05457	2.8
117.07011	4.1
119.04932	2.3
127.03921	2.0
128.06242	1.2
129.06984	5.0
131.04926	25.1
132.05679	2.4
133.06509	1.6
141.07007	2.8
145.06482	31.6
146.06816	1.0
149.06020	1.2
157.06474	11.1
165.06905	0.7
169.06496	10.0
170.07120	0.8
175.07578	1.5
187.07497	1.0
192.09369	1.3
194.07289	1.0
195.08081	0.7
202.07755	2.9
203.08507	1.1
205.10161	0.9
207.08101	2.0
207.11720	0.9
210.06673	1.0
215.08568	1.3
217.10170	1.5
218.07237	1.5
219.08154	1.9
220.08842	4.1
223.07552	2.0
223.11189	1.5
231.08044	1.7
233.09561	1.3
235.07588	1.0
235.11205	5.2
236.08290	1.3
245.09596	4.3
246.10500	2.0
247.07608	1.8
248.08420	3.0
251.10655	25.4
252.11095	1.2
261.09030	0.8
263.10666	27.2
264.10880	1.3
281.11823	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03462	3.5
55.04234	2.8
56.05029	1.0
56.96557	1.0
57.02596	0.9
60.97347	0.8
69.03418	2.9
69.03767	0.9
69.73176	2.3
69.73602	3.7
70.06572	2.0
72.08122	1.2
74.06081	8.1
75.04451	1.5
77.11855	0.9
81.04544	18.4
82.05328	10.4
84.04491	2.1
85.02890	3.6
86.06087	0.9
87.04470	1.1
97.02895	1.6
98.97524	0.9
107.04949	7.8
114.03802	1.1
119.04908	1.4
122.07150	100.0
123.07932	94.8
123.08644	1.2
123.09230	1.3
124.08373	0.9
131.47849	1.0
137.05997	1.0
137.07098	0.9
142.04860	2.2
144.04840	1.2
145.92924	0.9
160.04305	1.5
165.07764	4.2
191.10266	9.1
192.32867	0.9
237.02872	1.3
281.10672	66.0
296.43237	1.0
297.14401	2.1
302.39441	1.0
323.11642	1.4
372.31436	1.2
392.35736	1.0
443.15942	77.2
444.15887	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00326	2.0
53.03936	4.5
54.19133	2.2
55.01868	12.0
55.05515	16.3
56.96554	7.4
57.03434	12.8
57.07065	6.7
57.79953	2.3
67.05501	21.4
69.03428	3.4
69.07068	17.2
69.94937	4.8
69.95336	8.4
70.06585	6.7
70.07450	2.3
75.04465	2.5
79.05489	25.1
81.03394	2.1
81.07051	30.8
81.53757	2.0
83.04980	3.0
83.08607	8.3
85.06557	3.4
86.09696	3.7
91.05479	44.3
93.07042	27.5
95.04971	9.3
95.08610	22.9
97.06516	3.1
97.10192	2.7
98.21394	3.2
103.05444	5.6
105.07030	47.2
107.04950	20.4
107.08610	15.9
109.06499	3.9
109.10175	14.6
113.00013	100.0
115.05459	9.6
117.07023	43.9
119.04954	8.5
119.08570	36.7
121.02892	2.2
121.06478	6.0
121.10165	13.7
123.11642	4.5
128.06223	6.7
129.05502	14.2
129.06998	18.9
130.07793	3.1
131.04984	5.4
131.08568	47.6
133.06490	7.3
133.10115	25.4
135.08000	5.4
135.11673	6.6
137.13261	5.2
141.06981	8.0
142.07777	3.3
143.04887	2.4
143.08577	13.1
145.06493	18.3
145.10129	41.3
147.04407	4.8
147.08046	8.2
147.11699	13.9
149.09630	4.4
149.13235	3.2
155.07114	4.2
155.08531	12.1
157.06496	9.8
157.10114	13.0
159.08043	6.9
159.11690	44.4
161.09547	3.1
161.13223	11.3
163.11235	3.1
165.07025	2.7
165.09113	5.3
167.08554	3.6
169.02635	28.4
169.06483	3.9
169.10059	12.2
171.04378	3.4
171.11678	18.9
172.95227	5.9
173.05952	3.4
173.09639	3.1
173.13268	39.1
175.11221	4.0
178.07826	6.2
179.08507	6.8
181.06476	3.4
183.11679	9.5
184.07327	3.0
185.06055	2.5
185.13281	10.4
187.03702	12.9
187.11165	6.7
187.14787	3.1
189.16373	2.6
190.07845	2.5
195.11722	2.5
197.06010	6.0
197.09344	2.2
197.13249	10.0
199.14812	2.7
201.12743	7.0
201.16234	4.6
202.07739	3.1
203.05779	2.3
203.08609	4.6
205.06458	3.8
206.07317	2.5
207.08011	8.1
208.08730	3.0
211.14838	4.4
213.16437	13.9
215.14444	5.4
215.17941	20.3
218.07320	3.7
219.08073	4.2
219.17386	3.8
223.07603	8.0
225.09102	8.4
227.14380	2.6
229.19467	12.8
231.08134	7.3
233.09546	3.8
234.06824	3.6
235.07504	20.0
237.16560	3.1
239.07042	7.1
239.10785	2.5
239.17928	53.5
241.19527	3.3
247.07497	6.7
248.08319	4.1
249.09099	5.2
251.07043	7.4
253.08572	7.2
257.18997	77.7
259.02582	2.2
259.07532	5.6
275.20081	10.4
296.08240	2.6
303.11490	4.0
307.11920	3.4
308.11594	2.5
313.21738	8.8
325.12762	2.4
331.22668	52.3
349.12122	4.2
352.10593	2.9
361.12222	5.5
365.11646	2.4
367.13361	11.0
369.11023	4.9
369.19577	5.3
377.11652	5.6
379.13089	10.0
385.14474	11.6
387.20551	3.2
389.11786	3.6
395.12680	14.1
397.14352	8.6
407.12692	15.2
407.29456	4.0
413.13803	24.3
414.14087	3.5
425.13837	5.4
425.30225	13.3
443.11304	2.7
443.23276	4.0
443.31693	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	442.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	5.5
55.05499	4.3
56.96570	1.4
57.03435	16.1
57.07093	1.6
59.04992	2.1
61.02922	15.3
67.05488	5.8
69.03067	2.4
69.03426	33.8
70.06583	9.3
70.22630	6.3
71.01344	4.8
71.04977	3.4
71.08598	1.5
72.08146	5.1
73.02910	58.6
79.05485	5.1
81.03417	9.1
81.07045	4.1
82.06591	1.2
83.04959	1.9
83.08611	2.4
84.08128	1.4
84.64970	1.5
85.02897	100.0
86.09723	2.5
87.04456	7.6
91.03951	3.7
91.05496	2.1
93.07036	3.0
93.68165	1.4
95.04958	2.9
95.08574	3.2
96.08957	1.2
97.02882	56.5
97.06522	1.7
98.20852	1.6
99.04436	4.4
100.11258	2.5
103.03938	2.5
105.07023	2.8
107.04940	33.0
107.08540	1.9
108.05297	3.3
109.02892	11.0
110.09709	1.9
111.04458	1.3
115.03919	23.4
116.07075	4.5
119.08583	2.4
120.08075	1.3
121.06480	5.8
121.10152	1.8
127.03905	33.7
127.12343	1.9
129.10156	1.3
130.06532	3.0
131.08572	1.5
133.04953	32.0
144.07950	1.3
145.04944	37.6
145.06589	1.6
146.05972	2.5
147.06325	1.8
150.07684	1.5
163.05989	20.2
182.15366	2.0
188.07068	4.7
189.07404	2.3
190.07671	2.0
193.04884	2.1
210.14882	2.4
223.06017	4.3
229.15472	2.4
230.15567	1.7
232.82858	1.7
241.07077	6.1
246.60039	1.5
259.08136	5.7
285.40247	1.5
321.16153	1.3
373.24750	1.4
433.54092	1.7
442.18927	2.5
442.25171	11.4
444.25284	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59847	1.1
53.03933	2.2
54.36388	1.3
55.01875	6.9
55.05532	1.6
56.96559	1.4
57.03439	13.7
57.07072	1.6
57.36847	1.2
59.04996	2.5
59.33453	1.3
61.02923	11.4
67.05493	2.3
69.03426	35.3
69.70258	9.7
70.06596	8.8
71.01331	2.8
71.04980	3.8
71.08665	1.9
72.08156	1.6
73.02917	59.5
76.63163	1.3
79.05482	1.9
81.03403	7.5
81.07068	2.3
83.04964	1.2
84.04485	1.3
84.08134	1.8
85.02901	100.0
86.09718	2.3
87.04466	5.3
87.86933	1.2
89.06016	3.2
91.03969	3.4
91.05482	2.3
93.07052	2.4
96.81197	1.5
97.02888	64.0
99.04459	3.4
100.75165	1.1
103.03951	4.1
104.10809	1.5
104.38913	1.3
107.04967	10.0
109.02887	9.2
111.04552	1.2
115.03926	29.5
121.06528	2.1
127.03909	38.1
132.06587	1.2
133.04961	41.5
133.10175	1.5
145.04951	49.3
150.07605	2.0
163.06020	24.0
193.12027	1.4
199.06050	1.8
217.07112	2.3
223.06020	5.2
241.07121	7.6
259.08099	8.0
293.19052	1.9
295.10205	1.8
400.38080	1.5
442.17856	1.2
442.25867	5.3
468.92291	1.3
469.02258	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.9
55.05519	2.0
56.96578	0.7
57.03437	0.8
57.07059	0.6
61.02913	0.7
62.79135	0.5
64.58999	0.6
67.05511	2.6
67.49785	0.5
68.05027	0.8
69.03437	2.0
69.07076	1.7
70.06592	2.5
70.58527	0.5
70.90047	1.3
72.08150	1.3
79.05509	2.1
81.03418	1.9
81.07068	2.1
82.06575	0.6
83.08635	1.3
84.08173	1.5
84.94746	0.5
85.02902	3.4
86.09702	0.6
87.00842	0.6
87.04463	20.7
91.03952	0.6
91.05514	2.5
93.07057	2.5
95.04945	1.3
95.06100	0.6
95.08621	1.5
97.02904	1.5
98.06031	0.7
98.97583	0.8
103.05473	0.7
104.07127	1.0
105.01866	1.4
105.07040	1.3
107.04949	19.2
107.08626	1.7
108.05292	2.1
108.08098	0.9
109.02895	1.0
109.06503	0.9
109.10161	0.9
110.06039	0.6
117.07047	0.9
117.09731	0.6
119.08595	0.8
121.06498	3.9
121.10164	1.2
122.05985	0.6
122.06903	0.5
127.03909	2.7
129.07011	1.6
131.08536	0.7
132.08151	0.7
133.10097	0.5
136.07623	0.8
137.09613	1.4
139.05452	2.1
141.06973	0.7
145.04922	1.1
145.06516	0.6
153.07098	0.9
156.08102	1.8
158.97624	2.3
159.02988	0.7
161.09605	0.6
166.06537	2.4
167.07257	5.1
167.08459	0.8
168.08105	2.8
169.08878	1.2
172.07599	1.4
180.08072	16.0
181.08650	1.4
182.09666	1.5
183.06767	9.4
184.07559	11.5
186.09155	0.6
189.00462	0.6
192.08029	0.9
192.94359	0.8
193.08865	1.4
194.06003	2.0
194.09625	4.6
195.06792	6.7
195.08310	0.9
196.07585	3.4
198.09108	3.0
206.09656	1.6
207.10236	0.8
208.07541	5.2
208.11240	1.7
210.09071	1.7
212.10695	0.9
220.07628	1.0
220.11240	1.0
221.08397	0.7
222.09146	1.2
222.12773	0.7
224.10797	0.8
234.09039	0.6
236.10741	1.1
264.17468	11.5
265.17801	1.0
276.17487	3.2
282.18518	5.0
292.16882	16.9
293.17209	0.9
310.17972	21.8
311.18265	1.3
320.16422	76.7
321.16635	3.3
331.10571	0.6
336.21594	2.5
338.17465	23.2
339.18005	0.7
356.18527	12.4
396.27283	1.8
424.26859	0.8
440.67404	0.7
442.22122	100.0
443.23175	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	442.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33181	1.8
51.76691	2.0
55.01872	7.4
55.05506	8.1
56.05033	3.6
57.03440	5.0
62.06086	31.8
67.05499	18.9
69.03423	4.0
69.07066	6.5
69.24163	1.9
70.06593	37.7
70.90236	1.8
71.04987	3.8
71.42645	3.4
72.08144	8.2
74.06059	2.1
79.05468	11.7
81.07048	12.6
83.04984	20.5
83.06092	2.8
83.08597	4.8
84.04511	6.0
84.08151	18.3
85.02886	5.1
86.09716	21.0
91.05472	6.8
93.07042	18.3
95.05011	2.6
95.08595	6.0
95.56747	2.4
97.02924	3.0
97.06523	7.3
98.06048	8.5
98.98466	27.9
99.04472	4.2
100.11220	3.5
103.05431	2.8
105.07031	5.0
107.04943	22.1
107.08574	12.7
109.10157	12.8
110.07154	7.3
111.04444	49.6
111.08073	15.6
115.08673	2.6
116.07115	2.8
117.06976	3.7
119.08572	5.9
120.08076	6.0
121.10113	11.8
125.09632	2.3
127.03988	2.4
129.06912	2.3
129.10233	8.0
130.04950	2.5
131.04918	3.1
131.08597	6.2
133.06485	5.7
135.11674	20.9
136.07506	2.4
145.06441	4.0
145.10132	11.9
147.11699	3.1
149.09631	4.0
153.12750	33.5
155.01054	6.7
155.08481	2.4
163.11165	35.3
173.02104	8.0
173.09651	5.9
174.18262	1.9
181.12241	46.0
184.07382	5.4
191.10670	35.5
208.13321	2.3
209.11719	10.0
209.16481	2.3
216.06406	4.7
227.12810	49.2
228.13766	3.0
237.14127	3.3
238.16255	3.3
245.13751	4.0
246.14903	9.8
252.16037	4.1
270.17102	6.6
283.15402	63.9
301.16458	100.0
335.12479	3.0
363.12015	97.8
365.62225	2.4
381.13046	6.0
406.16138	5.7
424.17148	15.3
442.18329	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	442.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
54.50354	0.7
55.01878	6.6
55.05507	4.2
56.05033	0.9
57.03434	4.9
57.11641	0.7
62.06076	1.4
67.05505	14.6
69.03408	1.1
69.07051	2.6
70.06594	11.5
70.71267	1.9
71.04978	2.0
72.08173	4.1
75.78120	0.6
77.71596	0.6
78.66640	0.8
79.05499	7.1
81.03398	1.4
81.07058	6.5
81.13638	0.7
83.04974	16.4
83.08601	2.5
84.04489	2.7
84.08128	4.7
85.02882	2.5
85.06559	0.8
86.09708	5.3
91.05473	4.0
93.07042	11.1
95.04952	2.1
95.08591	3.2
97.06543	4.4
98.98468	3.2
99.04462	4.0
99.08057	1.1
101.02366	1.1
102.05503	0.7
103.05417	0.9
105.06994	2.6
107.04959	8.0
107.08598	6.9
109.10164	6.0
110.07151	2.5
111.04438	34.0
111.08085	11.3
117.07032	2.1
119.08589	4.6
120.08101	2.7
121.06487	1.1
121.10144	8.4
125.06001	2.5
129.05406	1.0
129.06960	1.2
129.10242	1.8
130.05006	0.9
131.04955	1.0
131.08580	4.1
132.05690	0.7
135.11685	11.5
136.07626	1.0
145.06473	1.6
145.10124	9.5
147.11685	1.9
149.08572	0.8
149.09604	3.8
153.12740	17.4
155.08540	1.5
163.03867	2.9
163.09839	1.6
163.11183	24.5
173.02109	1.2
173.09607	4.4
175.58891	0.8
181.12221	27.4
184.07339	1.3
191.10655	21.6
209.11687	6.6
216.06326	1.4
227.12784	39.9
228.49384	0.9
252.15955	1.3
255.15295	0.9
270.17029	2.1
283.15417	11.3
301.16443	100.0
302.16617	1.3
303.17963	0.7
354.20270	0.8
363.12061	2.7
414.24557	1.5
442.17987	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	3.2
55.01865	7.3
55.05496	8.2
56.05035	4.9
57.03416	5.8
58.06600	6.0
60.04525	2.1
62.06089	24.7
62.20514	2.0
67.05502	25.0
69.03418	3.0
69.07056	8.8
70.05558	4.2
70.05977	5.9
70.06593	46.8
71.04991	2.3
71.06902	3.1
72.08153	18.2
76.02239	2.6
79.05491	20.1
81.03418	4.7
81.07066	17.6
83.04986	13.5
83.06095	3.3
83.08618	4.3
84.04496	9.8
84.08150	21.6
85.02883	3.6
85.07653	2.5
86.06052	3.5
86.09698	23.9
87.05584	2.9
91.05491	12.6
93.07050	20.4
95.04960	8.9
95.06094	3.7
95.08601	7.5
97.02905	2.5
97.06541	10.7
98.06056	2.1
98.21417	3.0
98.98473	11.0
99.04459	3.5
102.05557	2.5
103.05466	2.3
104.10760	4.5
105.07022	5.6
107.04949	25.0
107.08601	10.6
109.06461	2.8
109.10190	4.7
110.07167	13.8
111.04451	26.8
112.11193	2.2
117.07005	5.2
117.51000	2.1
119.08565	6.7
120.08104	5.6
121.06400	2.3
121.10136	19.6
129.06966	2.9
129.10211	6.4
130.05017	2.8
131.04849	2.4
131.08557	6.2
135.11687	23.8
137.09726	1.9
145.10141	18.7
149.09558	3.9
153.12730	12.2
155.01053	12.3
155.08472	2.8
163.11169	32.6
173.09666	10.4
181.12242	23.7
184.07333	8.0
191.10675	19.2
209.11694	9.9
227.12756	29.0
245.13828	7.0
252.15816	4.0
265.14386	33.1
269.41971	2.3
270.17340	3.3
283.15393	47.6
301.16461	100.0
326.19629	4.2
345.10889	4.8
363.11987	14.7
381.13065	4.4
388.15179	4.5
406.16144	4.2
414.27313	2.2
424.16980	3.7
442.18094	7.2
442.25354	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	442.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72950	1.6
53.03944	4.9
55.01873	8.7
55.05507	4.1
57.03437	8.3
61.02922	6.2
67.05493	4.1
68.40524	1.5
68.99789	2.3
69.03431	37.5
69.07056	3.4
69.38938	9.4
69.39359	6.1
70.06602	9.8
71.04986	4.6
72.08143	5.1
73.02915	9.3
79.05490	4.0
81.03422	23.7
81.07063	3.7
82.70784	1.5
83.08592	2.5
84.08142	4.6
85.02905	100.0
86.09692	6.0
87.00828	38.5
91.05463	4.1
93.07039	2.3
95.05007	2.5
95.08596	1.8
97.02894	28.7
98.06054	1.5
99.04444	14.4
105.01868	57.9
105.07036	4.0
107.04966	10.4
107.05588	2.2
107.08578	3.2
108.04507	3.8
109.02880	27.7
109.10150	2.5
115.03923	2.0
115.05484	1.9
117.01833	2.9
117.07000	3.2
126.05508	1.8
127.03922	64.0
129.06989	5.5
131.04922	7.1
131.08595	2.7
133.04955	2.0
133.06506	4.9
133.10132	1.9
145.04959	28.7
145.06474	5.4
147.02914	3.1
157.06499	8.5
157.49345	1.7
158.59355	1.8
159.02878	13.4
159.08043	4.2
160.08485	1.7
169.06506	2.1
173.05923	5.1
184.07321	2.2
189.03911	4.1
201.09077	5.1
202.07751	5.6
219.08186	3.6
219.10149	10.5
221.05965	2.6
221.09706	3.5
231.05042	14.1
231.08000	6.0
237.09055	5.7
241.07297	2.0
243.10443	2.3
249.06204	3.1
249.09125	8.2
267.10168	2.6
285.11298	5.5
355.33273	1.8
356.68344	1.8
357.77673	1.7
442.24966	15.5
442.34265	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	441.3362
Annotation	Pfaffic acid
Peak:m/z	Relative Intensity
55.05510	50.8
57.07060	13.8
67.05489	15.4
69.07069	49.5
71.08625	10.9
71.50680	9.7
79.05489	9.1
81.07056	26.5
83.08624	100.0
91.05476	8.7
93.07042	21.3
95.08598	28.3
97.10181	15.5
105.07020	14.6
107.08569	24.7
109.06539	5.9
109.10159	12.0
119.08562	23.3
121.06506	8.5
121.10076	12.4
125.09677	5.5
131.08549	6.6
133.10092	10.1
143.08583	7.8
145.10100	11.9
146.57642	4.8
159.11688	9.5
161.09583	6.6
175.14804	5.5
176.28539	5.0
183.11717	7.9
385.04654	6.7
405.31796	17.0
423.32422	18.1
441.33392	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3722
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
52.68800	4.1
55.05509	8.8
55.34136	3.9
56.65879	4.0
57.28547	3.7
69.07053	6.9
71.60074	6.6
73.96101	4.1
76.85062	4.3
79.05472	5.5
81.07056	8.8
83.08598	6.4
86.70580	3.8
93.07069	11.8
95.08595	9.9
105.07018	9.3
107.08547	6.7
119.08605	5.3
121.06491	20.4
121.10107	4.9
123.08050	3.8
123.11726	5.3
133.10095	4.3
135.08051	7.4
139.64940	4.0
149.09641	14.4
165.06239	4.4
170.37816	4.2
173.13245	4.5
197.13232	4.5
207.13809	10.0
229.15897	11.6
441.31296	7.2
441.37241	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3364
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
53.03939	5.2
55.05510	33.6
57.07074	16.2
67.05505	12.1
69.03405	3.6
69.07067	37.9
71.08627	12.3
71.58527	3.6
79.05492	16.7
79.34916	2.6
80.16924	2.4
81.02290	2.9
81.07053	31.0
83.08138	4.7
83.08617	46.7
85.10167	9.1
86.73286	2.7
91.05476	19.3
93.07043	45.0
95.04964	6.8
95.08610	28.6
97.06519	3.8
97.10173	13.9
100.67120	2.5
105.07039	19.1
107.08606	38.1
109.06505	4.4
109.10135	15.7
116.88896	2.6
117.07082	4.9
119.08580	17.4
121.02848	2.7
121.06513	14.9
121.10137	30.2
122.59406	2.7
123.08086	7.2
123.11720	7.3
125.09626	3.9
128.06215	2.7
129.07005	7.0
131.08557	14.2
133.06494	5.1
133.10161	15.9
135.08064	9.5
135.11717	7.5
137.09656	3.0
137.13261	5.7
143.08540	13.0
145.10138	18.9
147.08031	4.3
147.11674	12.3
149.09647	8.7
149.13234	6.4
155.08560	9.0
157.10127	11.6
159.08044	10.8
159.11658	13.5
161.09630	7.1
161.13278	6.9
163.11235	5.0
163.14845	6.4
167.14371	3.2
169.10135	6.2
170.10930	2.9
171.11687	8.8
173.09659	14.0
173.13252	8.2
175.11171	4.6
177.16411	5.0
181.10098	5.7
183.11748	8.2
185.13254	12.1
187.11163	5.5
187.14912	4.5
189.12791	3.4
191.10736	3.8
191.18024	4.9
195.11760	9.1
197.13164	6.1
199.11151	6.3
199.14786	8.1
201.12793	9.6
201.16286	3.1
205.19543	10.1
207.13751	3.0
209.11606	4.0
209.13423	5.1
211.14828	9.7
213.12785	8.1
215.14375	6.1
217.12305	3.2
219.13885	3.8
223.14941	4.0
225.12714	3.6
227.14339	6.8
229.15915	4.3
231.13866	8.9
233.15379	6.0
235.17014	7.8
237.16423	4.1
239.17986	5.1
245.15329	6.7
247.17128	4.9
253.19890	3.0
257.18896	5.1
265.19611	3.3
267.17773	4.5
273.18542	5.6
283.17020	7.8
285.18506	11.8
303.19614	9.3
313.21860	4.6
315.23184	3.4
321.22052	3.4
325.21677	6.8
327.22934	3.4
339.23163	14.1
343.22751	6.6
357.24161	14.3
399.32910	3.6
405.31760	7.8
423.32623	34.3
432.93027	3.0
441.33615	100.0
447.56747	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	441.3364
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
51.71400	1.6
53.03929	1.5
55.05512	22.6
57.07071	7.2
67.05489	3.6
69.06720	2.2
69.07066	22.5
69.60438	12.1
71.08622	4.9
75.92032	1.3
79.05482	3.4
81.07041	8.7
83.08619	44.2
91.05476	3.7
93.07038	12.2
95.08608	11.5
97.10171	6.2
97.28778	1.5
100.30025	1.6
105.07024	4.2
107.08579	6.9
109.06493	3.0
109.10151	6.0
111.08033	1.6
117.07016	2.5
119.08561	5.9
121.06497	4.7
121.10122	3.5
123.08054	3.5
123.11710	1.6
125.09633	1.7
131.08519	5.3
131.67348	1.5
133.10135	3.9
135.08031	2.3
135.11707	1.8
143.08542	2.0
145.10135	5.7
147.08067	3.2
147.11713	3.3
149.09593	2.0
155.08574	1.7
159.08047	5.3
159.11713	2.9
161.09636	4.6
171.11693	2.4
175.07561	15.8
175.14793	2.7
183.11761	2.0
185.13304	1.8
235.16907	3.2
267.17456	2.5
271.17169	1.7
275.16379	11.1
285.18497	8.0
301.17957	19.8
303.19440	2.2
315.23233	7.0
423.32449	3.0
441.33633	100.0
442.33740	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3363
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
52.08514	1.7
55.05275	1.6
55.05513	22.9
57.07062	7.6
67.05505	8.2
69.07077	21.8
69.84638	7.7
71.08623	6.1
79.05484	6.9
79.65733	1.8
80.17337	1.8
81.07065	13.8
83.08621	30.6
85.10139	2.3
86.04962	2.0
91.05497	8.2
93.07034	15.6
95.08610	11.3
97.10148	6.4
105.00258	1.6
105.07040	10.8
105.63250	1.8
107.08589	14.2
109.06500	2.0
109.10162	9.2
117.07025	3.9
119.08551	5.5
121.06507	8.3
121.10152	8.4
123.11720	2.2
129.07054	2.1
131.08585	6.6
133.10133	6.4
135.08049	6.2
135.11687	3.1
143.08565	3.6
145.06480	16.8
145.10124	7.0
147.08029	4.2
147.11732	4.2
149.09642	2.8
155.08545	2.5
157.10097	3.9
159.08011	8.5
159.11693	2.4
161.09569	2.8
163.11142	2.3
168.03935	2.1
169.10210	2.2
171.11676	2.9
173.09613	7.7
173.13226	2.3
175.11177	4.5
177.09201	2.0
177.16342	2.1
181.10036	2.1
183.11668	2.2
187.11159	1.8
189.09145	2.5
195.11766	2.9
199.11171	2.9
201.12756	6.0
201.16245	2.2
211.14723	2.2
213.12677	3.0
215.14355	3.4
227.14215	3.4
247.16931	4.8
257.15289	5.3
265.15823	2.4
267.17526	1.9
272.16663	1.9
275.16428	3.1
283.16861	2.3
285.18387	3.8
301.17972	24.9
303.19479	19.5
367.18896	1.7
405.31525	5.0
423.32568	16.7
441.33646	100.0
442.33871	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	441.3363
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
53.03944	2.5
55.05512	19.6
56.96555	2.8
57.07072	9.1
65.03958	2.2
67.05506	28.5
69.07072	25.0
70.06612	2.5
70.72600	3.5
70.72984	4.1
71.08630	2.6
79.05500	13.0
81.07061	34.0
83.08620	25.3
84.08154	2.2
85.10190	2.4
88.88335	1.7
89.12991	1.8
91.05483	12.1
93.07047	24.0
95.04946	3.4
95.08613	33.1
95.97288	1.5
97.06557	2.5
97.10191	7.6
98.97589	3.2
105.07033	18.4
107.04986	5.4
107.08598	26.6
109.06554	3.7
109.10158	100.0
115.05470	2.4
116.98637	2.5
117.07047	6.7
119.04980	2.1
119.08578	15.7
121.06477	9.2
121.10136	20.2
123.08057	3.2
123.11737	8.6
125.09697	2.5
127.11194	51.5
129.07039	3.6
130.07756	2.6
131.08585	11.7
133.06514	4.2
133.10121	10.3
134.99736	2.0
135.08057	4.9
135.11694	8.9
137.13258	29.5
139.11273	1.8
142.07762	2.7
143.08554	8.9
144.09279	1.9
145.06398	2.4
145.10097	17.6
146.10585	1.8
146.99661	1.7
147.08075	7.1
147.11726	10.3
149.09627	3.4
149.13287	3.1
151.11134	1.7
155.08572	4.2
157.06482	2.1
157.10185	7.3
159.08063	19.9
159.11720	14.0
161.09654	5.0
161.13237	4.1
163.11247	2.1
167.08705	2.0
169.10130	4.3
171.08090	5.1
171.11659	8.3
173.09637	12.3
173.13275	7.8
175.11200	11.4
175.14868	5.0
177.16399	2.3
179.08563	2.1
181.10207	2.6
183.11795	5.0
185.13327	6.6
187.11226	5.4
187.14857	4.1
189.12781	2.2
189.16428	2.0
191.17960	3.7
193.10315	1.7
195.11705	2.4
197.09663	2.0
197.13354	4.9
199.11238	4.4
199.14868	3.3
201.12738	26.2
201.16423	1.8
203.14243	9.5
207.11726	2.3
209.13277	4.1
211.14841	2.9
213.12831	5.3
215.14268	10.6
219.13708	2.4
221.13368	2.1
223.11238	2.0
223.15030	2.8
225.16327	3.1
227.14348	6.4
229.19643	6.7
231.13814	9.4
233.15471	6.3
235.07806	1.9
237.02916	2.8
237.16493	3.3
239.17978	2.5
243.17249	1.8
245.15421	6.8
245.22633	2.9
249.16621	2.5
253.15839	1.8
259.16895	3.5
265.16058	1.9
267.17435	2.1
279.21158	1.8
279.95691	1.7
283.16779	3.0
285.18552	6.4
287.20163	7.1
297.22232	4.8
307.20541	3.0
311.20190	2.2
313.21783	7.0
315.19623	3.7
315.23190	49.6
321.22324	4.6
325.21695	7.5
327.23325	3.4
339.23123	21.2
343.22592	9.5
353.24677	4.2
355.14392	13.3
377.48724	2.0
397.15292	2.6
405.31894	8.1
423.32773	28.3
441.24701	2.8
441.33752	56.6
442.33920	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	441.3365
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
51.04253	0.8
53.03945	1.5
55.05514	16.5
57.07067	3.7
67.05513	6.7
69.07070	24.7
70.13360	3.1
71.08629	1.8
71.54692	0.9
79.05486	6.2
81.07059	12.9
83.08626	9.6
84.08144	1.0
85.10180	1.7
91.05482	7.3
93.07039	11.8
95.04986	1.9
95.08604	15.7
97.06562	1.3
97.10173	6.0
105.07038	8.9
107.04959	4.7
107.08602	14.5
109.06495	1.2
109.10157	10.8
111.08082	1.5
117.06998	1.9
119.04980	1.0
119.08572	5.2
121.06506	5.9
121.10136	7.7
123.08080	2.1
123.11736	4.4
127.11233	1.3
128.06233	1.9
129.07011	2.4
131.08603	6.3
133.06502	2.9
133.10170	4.3
135.08064	14.4
135.11694	4.4
137.09724	0.9
137.13266	9.0
141.06973	1.1
141.15140	0.9
143.08586	5.0
144.09294	1.0
145.06535	2.7
145.10101	7.8
147.08047	3.2
147.11703	2.7
149.09590	1.6
149.13286	1.5
155.08591	3.7
157.06493	1.4
157.10144	6.1
159.08055	15.6
159.11716	4.4
161.09653	2.7
165.06931	1.0
167.08612	1.2
169.10220	3.3
171.08090	2.0
171.11693	4.6
173.09636	13.4
173.13290	5.2
175.11180	3.2
175.14888	1.5
177.16447	4.6
181.10124	1.6
183.11734	3.1
185.09656	3.1
185.13242	4.7
187.11217	3.9
187.14815	2.0
189.09225	1.6
189.12732	1.2
191.17929	2.3
195.11739	2.6
197.13248	1.7
199.11250	3.8
199.14871	2.0
201.10852	1.3
201.12744	23.2
201.16400	1.9
207.10118	0.9
209.13284	1.9
211.11166	1.2
211.14847	3.2
213.12784	7.2
215.14351	6.0
219.13870	1.9
223.11322	1.2
223.14751	2.5
225.16454	1.2
227.14313	3.5
229.15906	3.7
231.13831	1.6
233.13356	1.3
233.15285	4.8
237.16460	1.2
239.17822	1.2
241.16107	1.2
244.24854	1.0
245.15363	4.2
247.16953	14.2
249.09175	1.2
249.16408	1.4
259.17075	1.6
261.09058	1.1
265.15964	2.1
267.17566	2.8
271.16992	1.4
273.14987	2.9
283.17102	3.0
285.18533	4.0
287.20108	3.6
297.22150	2.0
299.20181	1.6
300.17215	1.9
301.18106	3.1
303.19766	2.8
307.20554	1.3
311.20068	1.5
311.23657	2.4
313.21600	6.8
315.23248	2.7
325.21637	5.5
339.23361	3.2
353.24863	2.7
405.31531	7.5
423.32745	22.2
441.33719	100.0
442.34225	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3363
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
53.03942	5.1
55.05509	50.4
56.52540	3.3
57.07066	13.3
58.36289	3.3
67.05505	33.0
67.18941	3.3
69.03414	5.2
69.07066	71.4
70.50802	10.8
71.08624	11.0
75.19053	3.7
79.05488	24.1
81.07052	60.9
83.04986	3.4
83.08617	39.0
84.55838	3.3
91.05472	33.2
93.07051	53.5
95.04951	6.6
95.08602	58.9
97.06513	6.6
97.10172	25.2
98.20779	3.7
105.07028	29.8
107.04953	6.3
107.08600	34.7
109.06507	4.5
109.10157	39.6
111.08093	4.2
111.11736	5.8
117.07037	9.1
119.04937	7.1
119.08559	23.0
121.06503	19.2
121.10127	28.9
123.08095	8.8
123.11711	12.5
129.07037	6.3
131.08563	20.3
133.06502	7.2
133.10156	12.8
135.04427	3.4
135.08029	9.0
135.11691	10.7
137.05907	3.9
137.13245	27.7
141.06999	4.6
142.07845	3.4
143.08586	13.9
145.06473	4.6
145.10114	25.7
147.08040	11.2
147.11707	10.5
149.09616	5.6
153.07011	4.3
155.08530	7.2
157.10120	16.7
159.08084	21.0
159.11696	12.3
161.09634	13.1
161.13266	4.2
165.05289	3.9
165.07021	4.0
169.10149	9.6
171.08040	7.2
171.11649	16.0
173.09612	14.7
173.13361	11.3
175.11198	9.7
183.11708	10.9
185.09683	9.1
185.13231	12.2
187.11256	7.5
189.12790	6.1
191.17880	4.1
195.11737	8.9
197.13333	5.9
199.11189	6.2
199.14784	6.0
200.48265	4.2
201.12715	23.2
207.11728	5.4
209.13298	5.9
211.14786	7.3
213.12704	8.7
215.14342	12.7
223.14816	6.7
225.16101	4.6
227.14355	12.9
229.12091	3.9
231.13788	6.8
233.15425	10.5
235.13173	4.8
237.16415	4.7
239.17995	10.1
243.13719	3.9
245.15408	11.6
251.18024	6.8
259.13358	5.7
261.14883	10.4
269.19061	5.6
285.18518	13.3
287.20050	5.2
301.17987	5.6
302.16150	3.8
303.19431	6.4
313.21619	10.2
325.21667	8.3
327.23254	5.1
339.23132	7.0
353.24704	4.3
357.24390	5.1
405.31470	9.0
423.28293	4.0
423.32605	38.8
441.33643	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.8
53.03941	1.1
55.05275	0.8
55.05514	11.5
57.07075	6.6
65.03932	1.0
67.05506	28.2
69.07061	5.1
70.06587	1.9
71.04974	1.7
71.08620	1.7
72.08153	0.9
75.83498	0.6
79.05492	5.4
81.07056	16.8
83.08617	14.7
84.08143	0.8
85.12826	0.6
86.09721	1.1
88.11251	1.1
91.05478	5.4
93.07043	11.3
94.06607	0.6
95.05032	1.5
95.08604	17.1
97.06550	0.7
97.10178	2.2
98.21544	1.1
100.07629	1.0
100.11250	3.7
101.81300	0.6
103.05454	1.0
104.77940	0.6
105.07024	7.8
107.04954	3.1
107.08598	16.6
109.06499	1.7
109.10155	100.0
110.10484	1.0
111.04437	1.7
117.07016	1.5
119.04933	2.7
119.08566	3.3
121.06482	7.3
121.10137	8.4
123.08053	0.8
123.11711	2.0
125.09626	1.2
127.11192	58.9
128.06184	0.7
128.07063	1.1
129.06961	1.7
131.08557	4.4
133.06509	2.3
133.10138	2.6
135.08051	2.3
135.11693	2.1
137.13258	20.0
141.07040	1.2
142.03540	0.7
143.08565	2.6
145.10115	4.1
147.08061	1.3
147.11690	2.1
149.13249	1.2
155.08542	1.0
157.10124	2.7
159.08044	12.0
159.11699	2.5
161.09657	1.7
163.14775	0.7
169.06471	1.6
169.10094	1.1
170.15422	6.8
171.08058	1.9
171.11714	1.4
173.09599	5.5
173.13159	3.2
175.11176	5.1
175.14859	1.4
181.10004	1.2
182.15366	3.2
183.11752	1.2
183.53703	0.7
184.07378	0.7
185.09607	1.6
185.13297	2.4
187.11243	1.9
187.14864	1.5
187.68396	0.7
189.12749	1.2
191.17865	1.7
195.11681	0.8
197.13264	1.3
198.14861	6.0
199.11218	1.2
199.14827	2.7
201.12741	19.1
203.14311	6.1
209.13219	2.4
210.14914	4.8
213.12735	2.4
215.14299	7.4
219.13853	1.7
223.14832	0.9
225.14819	0.9
227.14270	4.8
227.17570	0.8
228.16158	1.0
229.15987	1.0
231.13797	10.3
233.15324	5.2
244.20271	1.4
245.15344	4.9
247.14821	0.7
259.17078	1.6
267.10275	0.8
285.18561	1.7
287.19955	6.0
288.18845	0.9
289.05136	0.9
289.19431	1.0
297.22208	1.6
297.25174	1.4
299.19968	0.7
303.21185	1.4
307.20468	1.7
313.21613	6.6
314.28128	1.6
315.23187	49.7
316.23697	1.6
321.22220	2.2
325.21521	4.0
327.23065	1.6
336.22787	1.3
337.21072	1.1
339.23193	23.8
340.23431	0.9
343.22705	9.2
353.24890	1.8
374.17575	1.0
392.18359	2.5
405.31644	2.8
423.23553	1.5
423.32629	8.8
424.32083	2.1
441.24557	26.2
441.33820	20.1
442.25159	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	441.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
55.05497	3.4
57.07074	38.7
65.03968	1.7
67.05492	2.8
69.07064	7.4
69.74959	7.3
71.08628	55.9
72.39989	1.3
73.06522	1.4
79.05489	3.1
81.07050	3.5
83.08619	3.0
84.04507	2.5
85.10180	29.8
87.04456	5.4
89.06025	100.0
91.05471	21.5
93.07034	26.6
95.04975	10.9
95.08596	3.5
98.96798	1.6
102.06770	1.4
103.05450	7.4
103.96207	1.5
105.07005	6.4
107.04953	5.6
107.07053	5.4
107.08577	4.1
109.10155	1.8
117.06951	1.7
119.04935	4.9
119.08581	9.5
121.06497	93.8
121.10071	1.6
122.06989	1.5
123.08053	2.3
130.08611	4.7
131.08575	3.2
132.96098	1.7
133.08595	61.3
135.08034	5.9
135.11703	1.4
145.10101	1.7
147.08043	15.4
149.09660	8.2
150.06740	3.7
159.11652	1.7
163.11208	4.6
165.09111	49.4
177.11215	9.4
184.07388	2.1
204.08749	1.5
209.11720	20.2
227.12759	5.1
231.03378	3.4
247.20555	16.3
256.93918	1.6
258.76764	1.5
271.15314	4.8
291.23178	19.9
315.18021	32.1
335.25775	1.8
337.74689	1.4
391.29282	1.4
440.81851	1.5
441.32489	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	441.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.8
57.75066	0.4
61.51137	0.4
67.05486	0.9
68.10069	0.5
69.03428	0.6
69.07050	0.5
70.06583	1.2
70.81301	0.4
72.08173	0.5
76.00109	0.4
79.05495	1.5
81.07035	1.1
84.04483	0.6
85.02911	0.7
89.40320	0.4
91.05485	0.6
93.07029	0.8
95.05000	0.7
95.08596	0.5
97.02892	0.5
98.21490	1.1
107.04955	4.1
107.08601	0.7
119.08604	0.7
121.06508	1.0
121.10102	0.6
131.08551	0.4
132.00183	0.5
134.09558	0.5
137.05936	0.6
145.06459	1.0
183.08038	0.4
184.07384	0.8
225.12900	0.4
301.77225	0.4
367.23129	0.5
370.22232	0.5
441.24576	100.0
441.99960	0.6
442.25058	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62102	0.4
55.05495	0.4
57.11015	0.3
57.42347	0.3
59.05006	0.4
67.05490	0.7
69.03442	0.4
69.30969	3.9
70.06577	1.2
72.08151	0.8
73.02921	0.7
79.05485	0.8
81.03407	0.5
81.07044	1.1
82.46201	0.3
83.08581	0.6
84.04471	0.4
84.08160	0.4
85.02888	0.8
86.09692	0.5
91.05483	0.6
93.07034	1.1
95.04934	0.3
95.06079	0.5
95.08602	0.8
97.02877	0.4
97.06516	0.4
98.20743	0.5
105.07021	0.5
107.04956	3.5
107.08582	0.5
109.10107	0.5
116.07111	0.6
119.08617	0.7
121.10117	0.6
129.74928	0.3
138.46640	0.3
145.06479	0.8
183.06314	0.5
190.41386	0.4
203.05486	0.5
216.43552	0.4
229.15504	0.6
279.18997	0.5
367.22659	0.6
441.24557	100.0
441.99658	1.0
442.24963	3.3
453.98532	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24686	0.4
67.10830	0.4
69.03426	0.4
69.07082	0.4
70.06588	0.5
70.80248	0.8
70.80586	0.8
81.07050	0.4
86.09705	0.5
97.06496	0.5
98.20760	0.4
107.04955	2.2
133.07512	0.4
152.07053	0.4
153.70528	0.4
163.03899	0.4
184.07442	0.7
201.03683	8.0
203.05260	8.0
245.06453	0.4
251.15239	0.4
261.18286	4.2
263.19839	11.4
355.17218	1.2
360.70740	0.5
397.18167	4.2
437.93991	0.4
441.17526	11.4
441.24530	100.0
442.18027	0.9
442.24844	3.6
460.38104	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2456
Annotation	Lys Phe Phe
Peak:m/z	Relative Intensity
51.61427	0.2
54.65235	0.2
56.96556	0.3
69.70858	1.2
69.71267	0.4
70.06564	0.3
81.07056	0.4
91.05501	0.3
92.76624	0.2
95.04965	0.2
97.02879	0.2
107.04955	1.0
108.05290	0.2
112.08286	0.2
121.20005	0.2
149.95570	0.2
185.04189	0.2
203.03378	0.3
203.05252	6.0
221.06363	0.2
222.09622	0.2
261.18237	1.8
269.10687	0.4
270.10846	0.2
279.19363	0.8
403.30637	0.2
441.24561	100.0
442.24896	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	441.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	6.3
56.30174	5.3
56.96563	24.1
60.04532	6.0
67.05504	13.0
69.07087	12.8
70.06593	18.9
71.59000	9.4
72.08168	10.7
79.05497	9.4
81.07053	16.2
83.08580	5.2
84.08140	11.4
84.18951	5.4
86.09696	9.7
90.80929	5.0
91.05476	23.8
93.07053	11.5
95.08596	16.2
98.06060	16.6
105.07019	12.2
107.04939	35.5
107.08589	10.2
109.10212	8.4
114.61858	5.4
119.08577	10.4
121.10203	7.8
129.07036	6.5
131.04892	8.7
133.06491	6.6
133.10129	7.1
144.06604	19.7
146.99692	9.0
157.06552	10.9
157.09795	10.3
169.06477	6.5
184.07455	6.6
203.10309	16.0
213.08107	6.9
223.14330	6.1
229.07330	6.0
231.09007	11.6
251.07332	6.3
259.12372	6.0
262.05969	7.3
269.10706	28.0
287.11612	18.1
339.23096	7.0
349.16995	15.1
367.17902	86.2
385.18976	9.1
441.17053	14.2
441.23752	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07020	0.5
52.31248	0.5
53.03949	0.6
55.01859	1.0
55.05506	15.6
56.05025	1.0
56.96567	0.6
57.03418	0.8
57.98803	0.7
58.99578	16.0
59.53316	0.5
61.01128	1.3
65.22740	0.5
67.05483	0.8
68.54286	0.5
69.03407	1.9
70.06582	7.8
70.76175	1.1
70.76523	0.8
72.08135	1.6
73.01125	1.3
74.06068	0.5
76.02225	1.1
76.04002	3.6
79.05489	0.9
81.03417	1.2
81.07031	0.9
83.08609	16.2
84.04507	2.3
84.08133	2.8
85.02899	6.3
86.09689	2.2
86.98521	0.8
86.99044	12.9
88.02197	3.7
88.03995	0.6
91.05485	1.0
94.71818	0.5
95.08584	1.0
96.04519	0.7
97.02895	1.8
98.97626	0.6
100.02203	6.2
101.09621	1.1
102.05516	0.5
105.07026	1.1
107.04925	4.3
107.08566	0.5
109.02878	0.6
110.07136	1.0
112.08745	0.7
115.08652	0.6
116.01665	62.0
116.07096	0.8
116.98612	0.6
119.04842	0.7
119.08573	0.9
120.08105	1.6
127.03867	0.8
129.10197	1.4
130.04997	1.2
130.06462	1.0
133.10120	1.0
142.27812	0.5
144.01129	31.3
145.01372	0.5
147.11674	0.6
149.09566	1.1
157.07536	1.0
158.06021	0.6
159.08354	4.9
162.02187	100.0
163.02422	0.5
175.08743	0.7
175.11157	1.1
176.98401	0.6
179.04778	0.6
189.12706	0.6
193.04962	0.8
203.04831	1.2
216.97916	0.8
218.12041	1.0
234.98972	1.7
235.04214	0.6
241.08304	0.5
244.09999	2.1
253.00146	0.8
261.05670	0.7
262.11063	55.9
263.11328	1.0
273.12686	0.5
279.13736	9.1
281.57007	0.5
285.13382	0.5
287.06891	0.7
300.27756	0.5
305.08221	1.4
317.08499	0.6
317.12317	0.9
321.07843	1.3
321.14719	15.3
333.07690	0.8
357.14951	3.2
387.15704	2.5
405.16916	1.8
423.11026	2.3
423.17609	1.0
441.12393	1.4
441.22693	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1731
Annotation	Lys-Trp-OH
Peak:m/z	Relative Intensity
51.14189	0.7
56.96538	1.5
57.73707	0.8
60.19029	0.9
64.73611	1.1
64.94983	0.9
69.90009	4.3
70.06578	4.1
72.08163	1.1
72.93797	1.1
84.04491	1.0
85.02885	1.3
89.03902	1.0
91.05457	3.1
94.77656	0.8
97.02830	0.9
98.97551	1.6
105.06997	1.3
107.04956	2.8
116.98610	1.7
117.03374	1.7
119.04930	3.1
123.04415	3.4
133.06477	3.4
134.99606	0.8
145.02829	3.8
147.04369	4.0
151.62502	0.8
157.04698	1.4
163.03885	1.6
175.03934	4.0
177.00781	1.3
177.05418	5.4
185.04156	1.2
207.06461	4.0
216.97876	1.0
221.05026	1.4
234.98872	0.9
237.02942	1.2
248.17052	0.9
248.98576	1.0
252.98041	1.4
404.99124	1.2
423.03629	1.1
441.17346	100.0
442.17670	2.0
465.07401	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
54.47099	0.9
55.01869	1.6
55.05508	18.4
55.93523	1.7
56.05013	1.4
56.94310	1.3
56.96561	0.9
58.99585	18.0
61.01149	1.1
61.02926	1.1
65.77171	1.0
67.05502	3.4
68.97903	0.8
69.03424	4.0
69.07065	2.7
70.06589	13.1
70.95869	1.7
71.11718	2.0
72.08150	4.0
72.93766	5.0
73.01154	1.2
74.06086	1.2
76.02208	1.0
76.03993	3.3
79.05492	1.5
80.05033	1.0
81.03415	2.4
81.07056	3.6
83.06098	1.0
83.08616	17.4
84.04516	3.6
84.08131	6.8
85.02901	8.3
85.65356	1.0
86.09698	4.8
86.99045	13.3
87.04484	1.2
88.02203	5.5
88.03947	1.3
90.94833	4.4
91.05473	5.6
93.07047	3.6
95.04976	1.6
95.08601	5.6
97.02885	2.3
98.97613	0.9
100.02199	7.0
101.09644	1.2
105.07015	6.3
106.07851	1.0
107.04948	11.7
107.08586	2.6
108.95790	1.2
109.06506	1.1
109.10191	1.3
110.07204	2.1
116.01668	68.2
116.98645	1.3
119.04920	1.1
119.08575	7.5
120.08101	2.2
121.06512	1.9
121.10159	4.2
122.07234	1.5
123.08075	3.8
127.03966	1.8
129.06970	1.1
129.10251	2.6
130.05006	2.1
130.06531	2.2
132.95848	2.0
133.06454	2.3
133.10124	8.8
136.07532	1.1
137.05997	1.2
137.09631	2.4
143.08549	1.5
144.01135	31.1
144.95840	4.6
145.10106	1.1
146.97443	1.9
147.04428	2.0
147.07994	1.1
147.11693	5.6
148.12474	4.2
149.09610	12.8
150.96820	1.6
156.09372	1.5
157.07637	2.6
157.10060	1.7
158.05997	1.6
158.97389	7.8
159.08388	4.4
161.09647	1.1
161.13246	2.7
162.02193	100.0
162.96930	4.3
168.95750	1.2
171.11710	1.2
174.10452	1.7
175.08713	2.1
175.11145	7.1
176.98445	4.1
186.96910	2.2
187.11221	2.0
189.12759	3.9
190.13498	4.9
191.14291	1.2
192.99622	1.2
193.04990	3.6
195.01030	1.2
199.00539	1.2
204.97978	1.2
207.01086	1.6
211.00487	1.2
216.97978	3.6
217.03377	1.2
221.02539	1.9
223.00545	1.1
234.98940	19.3
235.04059	1.3
244.10124	1.2
249.02089	4.3
250.02766	0.9
253.00195	2.8
261.02969	1.0
261.05652	2.3
262.11060	60.4
263.03659	2.9
263.07364	1.3
265.08832	1.2
275.03967	1.5
277.05173	1.0
279.03894	1.1
279.06763	4.7
279.13663	9.4
281.08362	2.8
297.07654	4.6
303.06656	1.5
305.08218	4.0
315.06693	0.9
317.08386	3.9
317.12320	2.1
321.07932	10.4
321.14746	15.0
323.09262	1.2
333.07779	8.1
335.09271	1.7
339.08929	2.2
347.09491	1.1
351.08807	1.5
357.14850	3.0
381.10049	2.3
387.15848	2.0
397.09277	1.4
398.17731	1.2
405.09869	6.6
405.16702	1.7
423.05255	2.0
423.10974	36.7
424.11267	2.6
441.12198	11.7
441.17804	1.9
441.23190	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	4.5
56.05023	8.7
58.45108	2.8
60.04510	8.8
61.01137	7.8
65.56077	2.3
69.80493	11.2
69.80901	5.8
70.06593	74.3
71.06908	3.2
72.04503	10.2
72.08150	19.8
75.38602	2.7
78.03799	14.2
81.03436	3.1
84.04515	15.8
84.08139	35.2
85.02912	4.0
86.06064	5.9
86.09692	27.1
87.05588	3.0
88.02208	4.6
91.05482	4.6
98.97603	4.4
102.03762	25.2
102.05536	5.3
102.40706	2.8
104.05344	3.4
107.04956	14.3
110.07163	21.3
112.08761	4.2
116.07092	6.9
120.04828	4.6
120.08076	5.6
123.04357	2.8
127.03886	2.4
129.10208	18.0
131.06343	12.6
131.08231	3.4
132.04765	11.4
134.99652	2.8
136.07581	16.5
149.07439	100.0
156.07666	3.1
160.05376	2.7
237.02846	9.2
239.31458	2.5
255.00105	2.8
261.12708	28.5
328.15079	3.9
441.11099	17.6
441.23917	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46046	3.0
55.05505	4.3
56.05021	11.1
56.96550	8.4
60.04509	9.7
69.07085	3.1
69.52287	19.2
70.06592	100.0
71.06901	3.4
72.08159	29.3
73.71312	3.0
74.06048	4.0
75.46391	3.1
80.05024	2.7
82.88692	2.9
83.06099	4.3
84.04486	19.7
84.08144	64.4
85.02906	5.2
85.08456	2.9
86.06047	10.1
86.09696	32.9
87.05561	5.9
91.05471	4.6
98.21577	5.0
98.97565	8.2
102.05546	8.1
105.07007	6.2
107.04938	31.4
110.07179	22.0
112.08736	3.6
112.11221	3.6
113.07068	3.3
116.98602	8.5
120.08128	15.8
120.08843	3.1
121.08382	3.5
123.04437	2.9
127.08668	4.0
129.10237	29.7
130.04988	4.7
133.06505	16.9
136.07581	9.3
145.06551	3.0
146.99625	5.0
149.07391	3.8
160.99947	3.0
177.00780	5.4
201.00778	3.4
209.53307	3.2
213.12459	3.8
219.01704	7.8
234.98859	3.3
237.02853	20.7
252.37932	2.9
279.03873	5.5
295.03195	4.6
321.04877	4.1
325.05984	3.8
335.09497	25.5
356.24210	3.3
401.37207	3.4
428.94733	3.8
441.11520	41.9
441.23523	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	440.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.3
57.03441	9.0
57.07076	24.2
58.54471	0.7
67.05503	5.6
69.07064	7.4
71.08633	16.3
71.59119	1.3
71.59504	0.8
79.05478	0.9
81.07053	9.0
82.07398	1.0
83.08627	4.9
85.10181	9.2
89.06033	2.2
91.05476	1.2
93.07063	1.8
94.07374	0.7
95.08596	12.3
95.09169	1.1
97.10144	2.0
98.98465	1.3
103.07564	2.0
107.08578	1.0
109.10147	4.8
111.08124	0.7
121.10149	1.1
123.11713	2.3
137.13243	0.8
155.01045	1.1
216.06494	0.7
225.22139	3.0
243.23167	2.1
245.89775	0.7
268.26440	2.6
286.24725	0.9
299.25806	100.0
300.26151	2.4
348.26117	1.2
422.30911	1.4
440.31686	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	440.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35698	1.5
55.05494	2.6
56.86369	1.9
57.03426	2.8
57.07069	18.0
62.06091	21.3
66.22913	1.7
67.05490	3.8
69.07071	3.6
70.85928	4.4
71.08626	11.3
81.07063	5.9
83.08605	3.0
85.10181	7.6
93.07030	2.2
95.08602	10.2
98.98463	5.4
109.10166	3.4
132.83638	1.6
154.71478	2.0
155.01068	5.7
173.02243	1.6
225.22087	1.8
257.49014	1.7
268.26318	11.5
270.71652	1.8
282.39426	1.6
299.25809	100.0
300.25928	3.2
305.24838	1.9
306.25021	4.1
348.26138	4.4
350.99243	1.8
360.91028	1.7
379.22501	2.9
386.21207	1.7
440.30820	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	440.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.6
55.05502	12.8
57.03441	15.7
58.08632	3.8
61.02917	14.2
65.95937	3.1
69.03425	36.8
69.06734	3.7
69.07072	57.8
70.63867	2.8
70.64603	9.5
73.02921	90.7
81.03416	7.8
85.02908	100.0
91.03931	4.6
97.02281	6.1
97.02890	56.9
99.04419	5.9
109.02869	9.9
111.11753	26.6
115.03956	28.3
115.57226	3.5
126.90347	3.1
127.03918	32.3
133.04982	30.6
137.30692	3.5
145.04950	45.9
150.07582	3.2
163.06030	23.2
169.05023	4.0
193.04959	3.6
223.05911	6.4
241.07059	10.3
259.08148	10.1
325.66998	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	440.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33490	0.6
53.03955	0.7
54.18554	0.7
55.01860	1.5
56.05034	1.0
58.99582	8.0
69.26635	3.3
69.27065	3.7
70.06573	2.7
72.08141	1.3
76.02225	50.1
76.03992	1.8
79.05482	4.5
83.06075	0.9
84.04038	1.3
84.04503	14.9
84.08123	1.6
86.09689	1.9
86.99056	2.4
88.02227	1.0
91.05469	1.2
92.81145	0.7
95.04973	1.1
103.05462	3.0
105.07030	33.8
107.04961	1.0
114.18405	0.8
115.05453	1.3
116.01683	11.9
123.79990	0.6
129.10233	1.4
130.04994	8.3
131.04996	0.8
133.06488	100.0
134.06818	1.5
134.81403	0.7
138.70349	0.7
141.04854	1.4
142.03233	5.3
144.01134	7.0
162.02206	19.8
170.02753	2.4
179.04858	38.7
181.99777	0.7
184.07172	0.7
184.47313	0.7
187.05356	1.9
215.04874	1.5
233.05891	12.6
245.05931	2.3
291.06198	1.0
308.09097	26.3
364.72488	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.2
55.80821	1.0
56.05024	1.1
58.99588	8.2
60.69587	0.8
65.10822	1.0
65.42565	1.0
68.24111	1.0
69.72153	6.2
70.06604	9.5
72.08141	2.5
76.02228	47.8
76.04002	1.8
79.05485	4.0
80.40871	1.0
83.95967	1.0
84.04506	12.8
84.08125	2.9
86.09716	5.5
86.99049	2.0
102.05520	1.2
103.05465	3.3
105.07032	32.3
107.04932	2.0
108.11605	1.1
110.07198	3.0
110.44939	1.1
111.88279	1.0
115.05415	1.7
116.01671	9.9
120.08068	1.9
129.10262	2.1
130.04990	6.1
133.06491	100.0
142.03198	4.3
144.01134	5.6
162.02208	19.1
170.02695	2.4
179.04858	38.7
215.04794	1.5
232.78796	1.1
233.05885	10.5
245.05894	2.5
269.56281	0.9
291.06421	2.2
308.09134	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
58.99563	0.8
64.25269	0.2
67.05477	0.3
67.61525	0.3
69.61502	1.7
70.06577	0.5
70.40836	0.2
76.02218	3.0
79.05471	1.0
81.07059	0.3
85.85435	0.3
86.09679	0.4
86.99037	0.7
95.04969	1.5
95.06057	1.2
105.00065	1.8
105.04528	0.3
105.06962	0.3
107.04945	100.0
108.05286	0.8
112.08714	0.6
121.06536	0.3
122.02718	39.9
131.05261	0.3
175.60338	0.3
184.07332	1.4
228.06868	31.6
229.07182	0.3
334.10977	2.1
396.23825	0.5
440.26114	0.6
440.31528	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	1.0
56.21670	1.0
58.99580	6.3
59.36658	1.0
59.51711	1.1
61.01151	1.2
67.45809	1.1
69.03423	3.1
70.06588	10.5
70.79253	1.0
71.59772	1.5
71.60170	1.6
72.08145	2.3
73.13805	1.0
73.33889	1.1
76.02230	9.5
84.04498	2.7
84.08147	4.3
86.09711	5.1
86.99029	2.3
88.20652	1.2
91.05461	3.6
95.04943	1.1
97.02911	1.7
100.02219	7.3
105.00105	3.1
105.07056	1.5
107.04944	5.4
109.07642	1.9
110.07159	2.8
116.51365	1.2
119.04945	1.8
120.08111	2.2
121.06507	1.8
122.06030	2.7
129.10277	1.9
136.07591	2.0
142.03238	1.9
146.02733	8.9
147.04427	2.7
150.05467	1.2
158.09671	1.1
162.05577	1.5
163.03850	1.5
164.07028	1.2
168.08076	1.5
170.09509	2.1
172.07526	1.8
174.09116	1.9
175.03922	2.8
175.08740	4.4
186.09189	3.2
188.00558	1.5
188.03746	2.2
189.10324	2.5
196.07628	3.5
198.09283	6.6
199.08661	2.3
200.07109	1.8
200.09267	1.4
207.06548	3.4
212.10605	2.0
213.10196	12.8
214.08641	4.2
215.08189	1.4
215.11815	5.9
217.09747	4.0
224.07178	1.7
225.06502	1.2
225.10304	1.3
226.07196	3.0
227.08058	2.7
227.11763	3.3
229.09785	1.4
231.11284	1.9
231.56949	1.2
235.10777	8.5
238.80923	1.2
239.08348	1.8
240.08971	4.2
241.09714	39.8
242.04761	2.3
242.08144	3.8
242.10417	2.6
243.11378	21.1
254.06322	2.4
254.10521	4.4
255.11348	7.3
258.12415	14.0
259.10764	29.7
260.09283	3.2
271.08972	1.6
271.13199	1.9
273.06989	1.5
273.12311	2.0
275.08527	1.4
282.10101	1.4
283.10776	7.7
284.09216	1.3
284.14075	2.0
285.12286	13.5
286.09595	2.8
299.08374	5.4
300.10950	1.9
301.08392	1.8
301.11829	35.9
302.10236	3.3
303.13458	6.4
317.10092	1.3
317.13684	26.7
318.12399	5.5
319.12943	7.5
360.13879	2.2
362.11728	8.3
362.15485	1.3
363.10144	4.8
378.14883	2.2
404.12708	29.2
405.11142	11.5
422.13797	100.0
423.12045	12.2
440.16193	3.1
440.23874	3.4
461.11884	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3572
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05506	29.3
57.07067	15.8
67.05498	32.4
69.07056	35.6
69.40192	43.5
69.40617	58.2
81.07047	49.2
81.26075	12.1
83.08614	33.0
87.05427	10.9
88.50555	11.0
89.06023	79.2
91.05479	16.3
91.51776	10.4
93.07036	47.0
95.04938	14.0
95.08603	79.6
105.07016	42.1
106.61676	10.8
107.08601	100.0
109.10153	69.2
111.08073	27.1
111.11665	13.5
119.08582	31.8
121.10155	59.2
123.11724	72.2
128.86156	12.3
131.08545	27.1
133.08577	40.9
133.10161	38.2
135.11676	22.2
143.08540	23.8
145.10107	24.2
147.11711	16.6
151.14821	21.6
157.10109	29.0
159.11658	25.9
161.13223	13.3
163.14737	13.7
171.11703	26.8
173.13269	27.2
175.14859	13.6
177.16423	21.5
185.13242	24.9
187.14861	21.8
201.16362	32.5
227.18121	16.3
233.18951	16.4
239.14793	26.3
240.15208	20.7
245.18927	25.3
283.20517	16.8
311.27472	20.0
327.26770	34.5
401.54001	12.2
403.33850	22.8
409.62436	12.2
421.34650	87.9
439.36392	83.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	20.3
57.07053	7.1
59.05007	2.0
59.29045	2.2
67.05214	2.2
67.05502	22.8
69.07061	22.3
69.30936	2.4
69.31339	20.3
71.08613	4.5
74.09833	2.0
79.05491	19.6
81.07052	50.1
83.08617	12.0
84.60562	2.1
91.05477	17.3
93.07046	28.2
95.04972	6.7
95.08605	44.9
97.10181	10.3
98.20787	4.0
105.07034	23.6
107.04925	8.6
107.08590	32.6
109.06525	5.4
109.10151	26.3
111.08072	4.4
117.07037	2.7
119.08573	19.7
121.06559	11.3
121.10156	17.9
123.08092	5.5
123.11702	5.1
125.09645	3.9
128.71242	2.6
129.06963	5.0
131.08531	14.2
133.06459	5.4
133.10161	16.7
135.08055	17.1
135.11678	10.0
137.09682	3.2
137.13245	18.8
143.08557	9.6
145.06505	5.2
145.10126	14.9
147.08022	4.2
147.11691	12.8
149.09715	2.3
149.13251	7.5
155.08563	5.1
157.06458	2.5
157.10126	8.2
159.08044	12.6
159.11685	10.6
161.09624	5.4
161.13235	5.4
163.11169	3.3
163.14751	2.2
165.12709	3.2
167.08585	2.6
168.05708	2.7
169.10081	7.7
171.08037	4.7
171.11713	8.5
173.09619	13.1
173.13306	7.2
175.11124	4.5
175.14870	10.3
177.16377	5.0
179.08565	2.8
181.10114	6.2
183.11676	7.6
185.09596	5.2
185.13258	6.1
187.11124	8.5
187.14824	4.9
189.09094	3.3
189.12791	2.8
189.16435	5.8
191.17987	2.9
193.10120	3.5
195.11673	8.2
197.09624	3.0
197.13240	5.4
199.11142	5.4
199.14809	7.0
201.12744	12.4
201.16341	2.9
203.17960	4.9
205.19650	2.8
207.11722	5.4
209.13254	7.6
211.11171	3.5
211.14763	4.7
215.14291	5.4
217.12315	2.3
219.11726	2.8
219.13692	3.5
221.13300	2.6
222.88638	2.3
223.14850	3.9
225.12781	4.8
225.16286	2.1
227.14243	8.2
229.12204	4.2
229.15749	4.3
233.15280	3.4
237.12688	3.8
237.16605	3.8
239.14314	3.6
245.15376	3.6
247.16940	8.5
255.13864	3.1
259.17041	2.9
269.13400	2.8
273.14767	4.6
273.18259	3.8
283.16885	6.8
285.18475	7.5
293.18961	2.8
295.20377	4.5
301.17938	4.4
303.19412	12.6
311.19830	6.0
313.18100	2.5
313.21484	7.0
315.23343	2.7
323.20251	3.4
329.21231	2.3
337.21619	6.6
351.22916	2.3
355.22656	13.5
369.24408	7.3
385.29214	2.8
393.31537	3.2
403.29858	9.8
421.31055	37.8
422.31625	3.1
439.16309	3.2
439.26569	42.4
439.32047	100.0
440.26895	4.7
440.32272	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	439.3206
Annotation	Salacenonal
Peak:m/z	Relative Intensity
53.03941	3.9
55.05516	21.3
57.07071	10.7
67.05510	23.8
69.07063	24.6
69.74378	5.7
69.74783	12.7
71.08635	5.0
79.05500	16.6
81.07056	52.3
83.08621	17.4
85.10199	3.6
91.05487	16.5
93.07043	28.2
95.04955	7.4
95.08606	66.0
95.09170	4.6
97.06528	2.8
97.10172	11.3
98.20844	5.1
105.07030	22.3
107.04950	3.4
107.08601	25.1
109.06538	6.7
109.10178	23.5
111.08085	4.0
117.07035	3.5
119.08582	19.6
121.06554	8.8
121.10169	10.7
123.08061	8.0
123.11743	7.1
129.07004	4.6
131.08586	8.6
133.06554	5.4
133.10110	18.4
135.08075	14.3
135.11685	5.1
137.09537	2.5
137.13275	13.7
143.08594	10.3
144.05679	2.4
145.06487	5.6
145.10104	12.0
147.08107	3.2
147.11720	9.0
149.02318	3.7
149.13214	6.1
151.14798	5.4
155.08626	6.3
156.09288	3.1
157.10181	9.5
159.08073	10.9
159.11713	8.5
161.09636	4.2
161.13318	3.0
163.11237	2.7
169.10152	9.7
171.08096	3.9
171.11681	6.5
173.09666	8.5
173.13297	4.9
175.11185	5.0
175.14856	8.1
177.16394	3.4
179.08607	3.5
179.14270	2.3
181.10138	5.7
183.11743	3.4
185.09706	4.3
185.13269	7.0
187.11223	5.4
189.16536	3.6
193.05052	3.9
194.05363	3.5
195.11772	7.0
197.13329	6.8
199.14902	6.0
201.12811	7.5
203.17996	3.9
207.11830	2.9
209.13281	5.9
211.14886	6.5
213.12865	4.2
217.10501	3.1
221.13210	4.5
223.14911	4.5
225.12865	3.3
227.14430	4.9
229.16017	6.9
233.15620	2.6
241.15958	3.4
247.16974	10.7
255.17393	3.2
257.15283	5.6
273.14780	16.5
275.16382	5.1
283.17114	6.1
285.18375	4.3
301.18027	6.1
313.21655	6.6
325.21939	3.1
337.21756	6.0
343.22766	3.3
351.18561	2.9
355.22778	14.3
369.24429	5.4
383.26413	2.6
403.29974	8.6
421.31122	30.2
439.21713	4.6
439.32147	100.0
440.32553	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	439.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.6
55.05507	20.9
57.07079	9.0
65.03936	1.9
67.05167	2.7
67.05504	28.2
69.03419	2.8
69.07065	18.0
70.06580	3.0
70.84953	3.2
71.08634	6.0
72.08157	2.0
79.05491	14.9
81.03425	4.1
81.07057	58.6
83.08614	8.4
84.08148	3.1
86.09709	2.1
89.28308	1.7
91.05470	18.3
93.07047	38.7
95.04984	6.0
95.08604	100.0
96.08941	3.0
97.06517	5.5
97.10155	9.9
105.07018	18.7
107.04950	4.7
107.08593	33.1
109.06525	3.1
109.10153	23.5
111.08063	2.2
115.05457	2.5
117.07014	4.5
119.04960	2.8
119.08576	13.2
121.06485	6.4
121.10143	20.1
123.08025	2.9
123.11731	6.3
125.09644	3.8
128.06230	2.3
129.07008	5.5
131.08594	10.6
133.06506	5.4
133.10129	10.5
135.04440	3.7
135.08051	6.9
135.11676	11.1
137.05957	3.6
137.09637	2.5
137.13255	52.3
142.07796	2.4
143.08562	7.4
145.06509	3.9
145.10126	11.2
147.08087	5.6
147.11705	8.1
149.05984	2.3
149.13245	5.6
151.07568	3.2
153.09076	2.3
155.08568	6.6
157.06482	4.8
157.10118	7.9
159.08058	11.7
159.11722	6.1
161.09631	4.5
161.13307	4.4
163.14807	3.9
167.08569	3.0
169.10110	6.3
171.08018	3.8
171.11688	3.8
173.09645	11.5
173.13264	1.9
175.11188	2.9
175.14848	3.7
177.12781	3.8
177.16338	9.6
181.10217	5.0
183.11703	6.3
185.09622	6.3
185.13268	6.6
187.11166	3.2
189.09093	2.1
189.12700	2.5
189.16415	3.0
191.10750	2.7
191.18004	4.6
195.11682	5.0
197.09685	3.0
197.13263	4.8
199.11192	7.8
199.14761	2.8
201.12735	4.7
201.16408	3.8
203.17986	7.3
205.19565	2.0
207.11678	2.6
209.13240	3.8
211.11194	3.5
211.14726	3.5
213.12762	5.0
215.14272	2.9
219.11678	3.0
219.13759	4.2
221.13362	2.2
223.14857	4.4
225.12761	8.4
225.16354	2.0
227.14308	5.8
231.13791	5.0
233.13120	2.9
233.15382	3.6
234.27048	1.7
235.14899	3.1
235.16942	2.4
237.16519	2.4
239.14326	4.9
243.13875	4.4
245.15442	4.5
247.13167	2.7
251.14101	1.8
251.17975	2.1
257.15384	3.0
261.14807	5.8
263.16440	3.5
267.17358	3.1
281.18848	2.2
283.16837	4.4
285.18491	16.1
291.21078	2.1
295.20593	3.2
297.18533	3.6
299.19800	2.1
301.17981	3.4
303.19559	30.7
311.19955	5.0
313.21521	2.4
319.20746	2.5
323.19891	3.1
337.21460	6.0
341.20972	2.1
343.22800	4.2
351.23187	4.3
355.22620	7.8
369.24268	6.1
403.29858	5.5
421.30957	27.2
439.23126	21.1
439.32101	52.7
440.32330	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	439.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77921	4.3
52.43311	3.7
53.03948	8.5
53.62421	3.6
55.01888	3.7
55.05513	29.9
56.72018	3.8
57.03434	5.4
57.07073	15.3
60.04523	5.7
65.03952	4.8
67.05514	54.4
69.03411	6.7
69.07070	40.2
70.06590	5.7
70.58453	9.6
70.58822	9.2
71.04992	7.6
71.08625	5.4
71.81061	3.9
74.95277	4.1
79.05482	25.4
81.03429	5.6
81.07061	76.0
83.08625	15.9
91.05479	24.9
93.07047	57.8
95.04964	6.8
95.08607	100.0
97.06516	6.0
97.10167	18.7
105.07034	32.1
107.04978	15.6
107.08594	57.5
109.06491	8.5
109.10152	82.8
111.08136	6.6
111.75934	4.0
117.07030	10.9
119.08572	23.6
121.06538	11.6
121.10180	30.2
123.11705	14.1
123.89817	4.1
125.09620	7.9
128.06213	6.0
129.07002	5.5
131.08568	19.5
133.06567	6.2
133.10109	14.9
135.08086	14.0
135.11716	22.4
137.09544	5.4
137.13272	38.4
141.06941	5.5
142.07782	5.7
142.25703	3.8
143.08582	15.5
145.06511	6.2
145.10121	16.2
147.08017	10.9
147.11697	10.8
153.12782	8.0
155.08517	7.4
157.10135	20.4
159.08095	15.7
159.11696	10.4
161.09663	8.7
161.13347	5.0
163.14809	6.4
167.08578	6.1
169.10120	12.1
171.08046	6.3
171.11623	9.3
173.09653	9.3
173.13292	7.6
175.07515	6.6
175.11186	10.9
177.16447	8.0
179.14241	5.3
181.10175	6.7
183.11737	13.6
185.09764	7.0
185.13252	10.5
187.11206	7.7
189.12616	6.5
191.17908	10.0
195.11829	8.5
197.09612	7.5
197.13310	12.1
199.11143	8.8
201.12804	18.7
201.16219	4.9
203.18010	8.3
207.11792	8.4
209.13202	7.7
211.11316	7.3
213.12776	6.4
221.13289	5.8
223.14818	4.9
225.12845	10.8
225.16379	5.4
227.14345	7.7
231.13768	5.3
235.14929	4.8
237.16228	5.7
239.14331	6.6
245.15428	5.8
251.17830	6.7
257.15662	7.4
267.17313	9.0
269.19061	6.1
283.16824	5.9
285.18457	20.9
287.20096	12.7
303.19492	22.8
311.20218	8.3
313.21634	8.6
337.21747	9.4
341.21216	6.1
343.22650	5.7
349.16934	5.1
355.22751	8.6
356.23062	4.4
359.45978	4.7
403.30045	14.4
421.31070	43.8
439.22842	11.6
439.32178	96.6
440.32162	12.1
454.55148	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	439.3205
Annotation	Salacenonal
Peak:m/z	Relative Intensity
53.03925	1.9
55.05263	3.1
55.05508	35.9
57.07079	12.9
58.19351	2.0
59.49863	1.8
67.05233	1.7
67.05508	17.9
68.33276	1.8
69.07065	32.3
69.86092	5.8
69.86516	6.6
71.08611	8.8
74.77299	2.0
79.05505	9.9
81.07062	19.5
83.04946	3.9
83.07869	2.3
83.08617	59.7
83.09114	3.4
85.10180	3.9
87.81068	2.0
91.05483	14.0
93.07039	27.1
95.04970	4.8
95.08601	63.7
96.08942	2.6
97.06511	4.4
97.10175	16.1
98.21458	4.6
105.07048	14.4
107.04910	2.7
107.08591	19.8
109.06496	3.8
109.10189	10.9
109.65070	2.1
111.08090	4.1
117.07005	2.9
119.08604	13.2
121.06491	7.7
121.10149	12.6
123.08063	5.4
123.11703	3.2
129.07030	3.5
131.08566	4.7
133.10130	9.8
135.08034	18.8
135.11659	6.5
137.09639	11.3
137.13257	4.3
139.07516	3.0
143.08556	6.6
145.10138	9.2
147.08037	5.9
147.11694	5.1
149.05952	3.4
149.09615	2.5
149.13226	4.4
151.07564	2.3
151.14821	2.7
155.08542	2.9
157.10083	5.4
159.08057	5.1
159.11694	7.0
161.09621	5.7
162.87549	2.0
163.07547	7.0
163.11070	3.0
165.12738	2.3
169.10083	4.5
171.08026	3.6
171.11655	6.6
173.09599	5.5
173.13217	4.5
175.07521	6.3
175.11086	4.6
175.14816	9.9
177.09084	2.3
177.16342	3.1
183.11658	3.5
185.09703	3.3
185.13190	2.3
187.11185	3.6
187.14867	2.3
191.10704	2.4
191.14287	2.5
193.15924	2.9
197.13292	2.3
199.11180	4.7
199.14851	4.1
201.12744	5.7
201.16548	2.9
203.10666	2.6
207.10016	2.6
209.13309	2.8
211.11086	3.2
211.14825	2.2
213.12720	3.7
217.12207	2.4
219.13744	4.8
221.12959	2.5
225.12596	2.3
225.16415	2.5
227.14372	6.6
229.15892	2.7
243.10118	3.7
245.11714	4.8
245.15398	4.2
253.15813	2.7
263.19870	2.3
281.15179	3.1
283.17065	5.7
283.20459	3.2
299.16458	4.1
301.18036	16.3
303.23160	7.7
305.24854	2.2
311.20081	6.9
315.23334	4.4
329.21075	4.6
329.24628	4.4
347.25775	11.8
355.22467	2.8
373.19968	2.2
393.31613	15.8
397.30899	3.5
403.30045	4.2
411.32428	4.0
421.30756	26.5
439.31973	100.0
440.32224	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	439.3054
Annotation	Anisodorin 3
Peak:m/z	Relative Intensity
53.03933	2.9
55.01863	2.7
55.05501	10.8
57.03431	3.5
57.06868	1.7
57.07084	17.2
57.07358	3.6
61.32041	1.9
62.06081	8.1
67.05500	16.8
68.81094	1.9
69.07066	18.4
71.04991	3.2
71.08609	6.4
71.59951	2.6
79.05489	11.7
81.07063	30.5
83.04974	4.0
83.08610	4.4
85.06558	4.0
85.10192	4.3
87.41519	2.4
91.05478	7.5
93.07042	21.7
95.04975	2.3
95.08605	24.1
97.06541	7.3
97.10142	2.8
99.08083	2.7
105.07023	9.7
105.07716	1.8
105.94694	2.4
107.08581	20.2
109.06490	11.2
109.10141	5.1
110.20608	2.1
111.04448	9.9
111.08070	3.3
119.08588	8.3
121.10147	7.8
123.08048	8.9
123.11745	4.6
125.05983	10.1
131.08534	3.0
133.10146	5.8
135.08072	7.6
135.11671	9.7
137.05991	12.0
137.09587	3.6
145.10110	7.0
147.11670	4.4
149.09679	4.6
151.07535	6.1
153.12738	2.2
155.01027	3.3
159.11742	2.4
161.13255	4.8
163.11208	3.2
165.09094	9.5
165.12787	3.9
177.12808	4.2
179.14291	3.7
181.12167	3.4
187.14742	3.2
221.19034	4.9
263.20081	5.2
268.26453	3.6
287.23727	2.5
299.25797	33.5
305.24741	82.8
306.25217	5.0
319.26291	24.1
329.24725	4.1
333.20401	2.6
347.25809	100.0
348.26114	7.3
365.26947	7.5
374.57751	2.3
411.31494	2.7
411.97046	2.3
421.29541	17.1
421.34314	3.3
439.30612	52.8
440.31219	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.8
55.01862	4.3
55.05513	11.0
57.03420	3.8
57.06826	1.6
57.07079	19.0
59.04984	1.4
66.83611	1.0
67.05505	16.4
69.03411	1.4
69.07061	14.7
70.85318	3.7
71.04993	2.6
71.08617	1.7
79.05495	12.3
81.06591	1.3
81.07062	23.0
83.04967	5.1
83.08618	4.7
85.06560	8.3
86.09711	2.4
90.21502	1.1
90.22175	1.3
91.05487	11.1
93.07046	15.1
95.04961	2.4
95.08609	19.2
97.06520	3.7
97.10172	1.9
98.98469	1.6
105.07060	9.1
107.08595	15.1
109.06532	14.7
109.10190	6.1
111.04436	3.6
111.08083	2.7
117.07037	2.3
119.08627	8.1
121.06513	2.7
121.10156	6.9
123.08066	16.9
123.11691	2.1
124.08839	5.8
125.05987	5.1
126.71788	1.2
131.08580	3.7
131.62521	1.2
133.10106	4.8
135.08057	9.8
135.11685	3.8
137.05980	15.9
137.09624	1.5
137.13203	1.3
138.06790	1.5
139.07509	1.7
143.08530	2.7
145.10103	3.0
147.08060	2.3
147.11671	3.7
149.09616	4.1
149.13287	2.0
151.07542	13.4
151.11191	2.6
152.08325	18.5
153.12730	1.7
157.10115	2.3
159.11746	2.7
161.09674	2.6
161.13211	2.3
163.11102	2.1
165.09116	26.6
165.12769	6.2
165.15324	1.1
166.09802	1.3
171.11659	1.5
175.11179	1.6
175.14717	1.5
177.12744	4.1
179.10693	5.8
179.14296	1.9
181.12238	1.7
184.07321	1.6
191.14328	2.6
193.12291	1.9
194.13060	10.2
207.13808	10.0
221.15327	2.2
231.17552	1.6
234.27463	1.6
235.16870	2.6
249.18622	2.8
263.20093	7.0
277.21497	1.4
299.25919	2.0
316.19391	1.1
319.26318	13.2
329.24768	1.7
347.25812	95.3
348.26248	4.0
365.26889	25.9
377.07895	1.3
411.30972	5.0
421.29565	19.3
422.29492	1.4
439.30585	100.0
440.30954	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	439.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79557	1.5
53.03934	2.4
55.01875	4.0
55.05508	21.4
56.96550	7.0
57.03419	7.2
57.07067	13.6
61.02911	3.5
66.06764	2.0
67.05497	33.4
69.03442	1.8
69.07062	27.2
70.04073	2.8
70.24740	3.6
70.25158	6.1
71.04990	4.1
71.08625	4.6
73.02896	1.7
79.05480	19.5
81.03393	3.5
81.07050	35.5
83.04964	6.9
83.08594	9.7
85.02875	2.7
85.06539	10.9
89.06007	5.5
91.03954	2.6
91.05463	15.7
93.07039	28.9
95.04958	5.5
95.08601	22.2
97.02840	2.1
97.06533	7.4
97.10157	7.4
98.20777	2.5
99.08103	3.5
105.07016	15.1
107.04961	2.2
107.07935	3.0
107.08591	27.6
109.06520	14.1
109.10149	11.4
111.04453	11.9
111.08074	4.4
116.98618	2.4
117.07021	5.1
119.08559	12.7
121.06448	3.2
121.10117	9.2
123.08070	12.6
123.11703	4.3
125.05988	10.2
125.09588	7.0
125.97309	1.6
127.07601	2.2
131.08554	4.8
133.10120	7.2
135.08044	11.9
135.11699	10.5
137.05959	17.1
137.09602	2.7
137.13226	1.9
138.10194	2.9
139.07545	2.2
143.08530	2.9
145.10103	10.3
147.11665	5.5
149.01210	2.2
149.09613	3.6
149.13260	2.7
151.07500	7.6
151.11131	4.2
153.12709	3.3
157.10109	3.0
159.11676	6.2
161.09634	2.6
161.13243	3.1
163.11211	3.0
165.09126	6.1
165.12721	5.3
167.14334	2.0
169.10060	1.9
171.11708	1.9
173.34026	1.8
175.11171	3.7
177.12761	2.6
179.10806	1.9
179.14301	5.3
181.12222	5.0
189.11168	4.9
193.12213	4.6
195.13812	5.8
198.12364	2.5
217.19469	2.0
221.15431	2.9
221.18990	3.3
227.12787	2.6
232.25349	1.9
235.20361	2.6
249.18579	2.7
263.20038	5.8
267.09680	1.8
269.10510	2.8
287.23425	3.3
303.26758	3.0
305.24731	80.2
306.24951	3.6
319.26321	18.7
329.24716	2.7
331.15759	5.4
347.25790	100.0
348.26288	4.2
349.16870	7.3
365.26822	7.1
367.17758	5.1
411.31226	3.9
421.29517	28.9
439.30826	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	439.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
55.05506	7.0
57.03444	1.4
57.07081	12.9
67.05505	9.8
69.03449	1.6
69.07079	6.8
71.08630	2.3
78.12557	1.3
79.05495	7.9
81.07059	16.1
83.05009	2.7
83.08614	5.3
85.06554	6.6
85.10155	1.3
86.09658	2.0
88.99326	1.3
91.05483	5.3
93.07059	10.9
95.04955	1.6
95.08614	11.9
97.06531	4.0
97.10149	2.6
105.07039	5.4
107.08615	10.1
109.06497	7.6
109.10165	5.2
111.04453	2.1
111.08090	1.9
117.07034	1.3
119.08589	5.5
121.10168	3.8
123.08080	9.7
124.08868	1.6
125.06026	2.7
131.08568	2.3
133.10112	4.2
135.08044	9.3
135.11681	3.5
137.05988	14.4
137.09628	2.0
139.07565	1.3
140.51068	1.5
145.10184	4.4
147.07962	1.6
147.11691	4.9
149.09639	3.2
149.13376	1.5
151.07584	6.9
151.11099	2.3
152.08365	5.0
157.10097	1.5
159.11752	3.2
161.09605	1.4
161.13297	1.7
163.11212	2.1
165.09169	6.7
165.12782	4.4
175.11177	2.4
177.12724	4.9
179.10707	2.2
184.07428	2.6
189.12744	1.5
193.12280	1.8
194.13017	3.4
199.14734	1.4
207.13824	6.7
249.18690	1.6
257.86310	1.2
263.20090	5.1
277.21381	1.3
299.25732	3.4
305.24747	3.1
319.26309	10.8
329.24789	2.0
347.25806	81.7
348.26276	2.6
365.26773	14.1
390.50195	1.4
411.31201	3.3
421.29578	17.3
439.30603	100.0
440.30957	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	439.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	9.7
55.01866	11.1
55.05503	32.8
57.03430	14.1
65.03951	6.7
67.05169	6.6
67.05507	66.5
69.03436	30.5
69.07068	37.0
71.04995	6.5
71.20028	13.2
71.20368	7.6
74.55614	6.2
79.05495	73.8
81.03411	25.4
81.07059	82.1
81.69661	5.6
83.04974	10.5
83.08622	20.7
85.02903	34.9
91.05486	84.7
93.07043	89.0
95.04993	7.5
95.08600	59.3
97.02889	17.6
97.06526	9.8
97.10188	9.3
99.08071	8.3
102.97707	5.7
105.07035	100.0
107.04956	9.2
107.08588	66.1
109.02886	6.4
109.06509	11.7
109.10162	37.3
111.08027	5.1
117.07016	24.1
119.08596	68.3
121.10150	44.9
123.08044	9.6
123.11697	6.0
126.91275	4.9
127.03934	10.8
128.06218	7.3
129.06975	13.1
131.08588	30.0
133.06564	7.4
133.10138	61.6
135.11681	41.5
137.13295	7.2
143.08534	18.8
145.10126	39.0
147.08066	7.4
147.11694	47.1
149.02370	29.9
149.13237	22.4
150.02684	11.7
155.08577	10.0
157.10156	19.1
159.11691	37.5
161.13295	29.8
169.10117	13.9
171.08191	6.4
171.11716	20.7
173.13269	20.5
175.11264	6.1
175.14758	11.7
183.11699	7.2
185.13199	22.0
187.14870	9.9
193.04955	29.6
194.05321	25.9
197.13290	11.1
199.14819	8.7
209.13205	6.0
227.72917	6.3
231.21062	9.0
241.19563	13.4
257.19055	13.8
259.20615	64.3
271.20804	6.6
275.20084	9.0
277.21634	8.6
301.21811	14.4
313.21674	12.0
325.21634	7.7
339.23370	6.8
347.25372	7.0
349.16949	10.6
349.21136	7.2
367.22528	11.7
385.23697	21.3
392.79639	6.3
403.25131	33.2
403.29538	9.1
421.25717	38.3
421.31036	20.2
439.32565	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	439.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70934	8.1
53.03934	16.2
55.01879	11.6
55.05507	32.3
56.96560	12.1
57.03426	8.2
65.03922	13.2
66.44359	7.9
67.05489	88.4
69.03414	18.8
69.07068	38.4
70.68713	9.1
71.59422	10.0
79.05489	89.1
81.03407	37.0
81.07054	96.5
83.04990	10.5
83.08637	20.8
85.02907	33.5
88.52247	8.8
91.05479	87.3
93.07037	100.0
95.04942	11.4
95.08594	68.0
97.02898	36.7
97.10201	13.8
99.04484	10.1
105.07040	83.6
107.04938	16.1
107.08610	79.5
109.02869	13.6
109.06512	13.0
109.10130	47.8
111.04494	9.8
114.71857	8.0
114.82609	8.2
117.07001	24.7
119.08588	75.4
120.03488	8.7
121.02901	9.4
121.06527	13.6
121.10153	42.9
123.08044	13.5
123.11699	17.9
127.03941	13.0
129.06966	15.2
131.08563	37.2
133.06534	10.7
133.10112	62.9
135.08122	9.3
135.11650	43.3
137.13264	14.1
143.08560	21.4
145.10144	41.5
147.08051	11.5
147.11731	45.8
149.02321	34.2
149.13275	25.4
150.02689	13.3
155.08563	11.5
157.10149	23.5
159.11638	40.8
161.09645	11.0
161.13240	19.8
167.08676	10.5
169.10152	16.8
171.11723	21.1
173.09636	11.9
173.13268	21.8
183.11633	21.8
184.07220	8.9
185.13295	17.4
187.14867	8.8
189.12846	11.7
193.04965	39.4
194.05347	25.5
199.14859	15.4
200.34413	9.2
209.09706	10.0
209.13290	10.6
259.20651	55.4
301.21683	18.2
309.43588	10.8
349.16983	14.3
367.22757	12.2
385.23792	19.8
403.24756	27.4
421.25500	30.5
421.30746	17.9
439.24481	23.1
439.32101	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.23
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
55.05505	0.7
56.96569	0.7
57.03434	0.5
61.02917	0.7
65.53822	0.4
67.05505	0.9
67.46682	0.4
69.03423	0.5
69.97648	1.5
69.98061	0.8
70.06573	1.3
71.04971	0.5
73.02892	1.9
79.05476	0.6
81.03398	0.9
81.07037	1.1
83.08591	0.8
84.04512	0.4
85.02890	1.0
87.04489	1.0
89.06023	1.9
91.05489	0.7
93.07050	0.9
95.06112	0.5
95.08612	0.7
97.06486	0.5
98.97570	0.4
102.06743	0.6
105.07011	0.6
107.04941	3.9
107.05676	0.5
107.05910	0.4
107.08588	0.5
109.10153	0.6
114.85803	0.4
121.06476	0.8
131.08533	0.6
133.08591	1.4
177.11333	0.6
201.03696	8.8
203.05226	8.7
229.07562	0.6
247.08530	0.9
259.16858	3.7
261.18256	8.5
266.74365	0.4
267.09009	1.0
269.10635	0.5
270.12460	0.6
277.16574	1.3
285.10117	1.1
295.42685	0.4
315.04947	1.1
319.17584	0.6
419.84354	0.5
434.82632	0.4
439.23013	100.0
440.23337	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	439.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73863	0.3
52.78005	0.3
55.01849	0.4
55.05516	0.8
56.05022	0.5
56.96565	0.9
57.03419	0.4
61.02917	0.9
67.05497	1.3
69.03419	1.0
69.07053	0.6
70.06585	1.0
70.48881	1.3
71.04984	0.7
72.08150	0.5
73.02911	2.4
79.05489	1.0
80.05495	1.3
81.03413	0.7
81.07047	1.3
83.08622	0.5
84.08130	0.8
85.02890	1.5
87.04436	0.9
89.06021	3.9
91.03929	0.5
91.05489	0.7
93.07046	1.2
95.04939	0.5
95.06065	0.5
95.08632	0.4
95.18567	0.4
95.37420	0.4
96.08182	0.4
97.02855	0.7
98.05965	0.4
102.06793	0.6
105.07001	0.9
107.04943	5.3
108.05280	0.5
109.06507	0.6
110.07162	0.4
110.90269	0.3
119.08625	0.5
120.08099	0.4
121.06473	0.8
121.10094	0.6
127.03920	0.5
133.08595	1.2
184.07384	0.4
201.03667	9.9
202.04005	0.4
203.05226	8.3
245.96773	0.4
259.16840	3.0
261.18259	9.9
262.18588	0.6
267.09085	0.7
269.12524	0.5
277.16428	1.0
285.10068	0.9
287.11624	0.4
315.04865	0.9
319.17685	0.4
359.17639	0.4
369.11661	0.3
439.23001	100.0
440.23407	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	439.23
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.7
56.96569	0.7
57.03434	0.5
61.02917	0.7
65.53822	0.4
67.05505	0.9
67.46682	0.4
69.03423	0.5
69.97648	1.5
69.98061	0.8
70.06573	1.3
71.04971	0.5
73.02892	1.9
79.05476	0.6
81.03398	0.9
81.07037	1.1
83.08591	0.8
84.04512	0.4
85.02890	1.0
87.04489	1.0
89.06023	1.9
91.05489	0.7
93.07050	0.9
95.06112	0.5
95.08612	0.7
97.06486	0.5
98.97570	0.4
102.06743	0.6
105.07011	0.6
107.04941	3.9
107.05676	0.5
107.05910	0.4
107.08588	0.5
109.10153	0.6
114.85803	0.4
121.06476	0.8
131.08533	0.6
133.08591	1.4
177.11333	0.6
201.03696	8.8
203.05226	8.7
229.07562	0.6
247.08530	0.9
259.16858	3.7
261.18256	8.5
266.74365	0.4
267.09009	1.0
269.10635	0.5
270.12460	0.6
277.16574	1.3
285.10117	1.1
295.42685	0.4
315.04947	1.1
319.17584	0.6
419.84354	0.5
434.82632	0.4
439.23013	100.0
440.23337	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	439.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	13.8
56.96563	9.6
57.03421	11.2
63.66637	3.9
67.05507	20.6
69.03423	4.5
69.07066	13.6
70.06587	9.9
71.58814	5.1
71.59203	6.5
72.08150	6.5
79.05492	20.2
81.03402	4.1
81.06660	4.6
81.07053	26.6
83.08604	7.9
84.04486	5.8
84.08142	6.2
91.05468	28.2
93.07040	34.2
95.04989	5.3
95.08614	26.4
97.06496	5.4
105.07025	34.0
105.87451	4.2
107.04307	4.5
107.04982	15.4
107.08595	19.0
109.10151	12.9
117.07013	12.9
119.08611	19.4
121.06495	4.5
121.10190	10.3
129.06992	5.9
131.08548	11.3
133.06485	7.1
133.10132	11.9
135.11670	10.1
137.13300	4.6
141.07098	3.8
143.08565	9.8
145.06407	5.4
145.10129	9.0
147.07916	4.7
147.11688	13.7
152.04630	4.1
157.10149	7.3
159.11708	9.5
163.11211	4.0
169.06688	4.5
171.11650	4.1
173.09628	8.2
173.13184	4.9
183.11691	6.1
184.07356	4.3
185.13210	10.7
201.16357	4.3
203.14272	5.6
219.17497	7.2
221.15402	9.4
257.19046	7.5
259.76144	4.6
269.10690	6.6
275.20157	38.4
315.10089	4.9
377.22974	16.2
418.78293	4.0
421.31012	9.0
439.15387	9.9
439.20874	100.0
439.32227	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	439.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	13.8
56.96563	9.6
57.03421	11.2
63.66637	3.9
67.05507	20.6
69.03423	4.5
69.07066	13.6
70.06587	9.9
71.58814	5.1
71.59203	6.5
72.08150	6.5
79.05492	20.2
81.03402	4.1
81.06660	4.6
81.07053	26.6
83.08604	7.9
84.04486	5.8
84.08142	6.2
91.05468	28.2
93.07040	34.2
95.04989	5.3
95.08614	26.4
97.06496	5.4
105.07025	34.0
105.87451	4.2
107.04307	4.5
107.04982	15.4
107.08595	19.0
109.10151	12.9
117.07013	12.9
119.08611	19.4
121.06495	4.5
121.10190	10.3
129.06992	5.9
131.08548	11.3
133.06485	7.1
133.10132	11.9
135.11670	10.1
137.13300	4.6
141.07098	3.8
143.08565	9.8
145.06407	5.4
145.10129	9.0
147.07916	4.7
147.11688	13.7
152.04630	4.1
157.10149	7.3
159.11708	9.5
163.11211	4.0
169.06688	4.5
171.11650	4.1
173.09628	8.2
173.13184	4.9
183.11691	6.1
184.07356	4.3
185.13210	10.7
201.16357	4.3
203.14272	5.6
219.17497	7.2
221.15402	9.4
257.19046	7.5
259.76144	4.6
269.10690	6.6
275.20157	38.4
315.10089	4.9
377.22974	16.2
418.78293	4.0
421.31012	9.0
439.15387	9.9
439.20874	100.0
439.32227	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	439.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03410	1.2
70.06587	7.5
71.60240	1.7
72.08143	1.8
74.06064	1.2
79.05484	1.0
81.07063	1.3
84.04485	1.3
84.08145	4.1
85.02895	1.5
85.98095	1.0
86.09682	4.8
88.67096	0.8
93.07039	1.6
95.04903	1.5
95.06052	1.1
96.05472	1.1
98.97531	1.1
102.05525	0.9
107.04945	100.0
110.07172	1.7
120.08095	2.4
122.05859	1.1
128.04469	1.7
129.03133	4.3
129.10258	1.7
133.06551	0.9
139.07314	1.2
139.08412	25.9
153.05280	1.1
162.52263	0.8
171.06261	35.7
177.05455	1.2
185.04216	7.9
191.14149	0.9
196.09476	5.2
203.04677	3.7
237.02736	0.8
241.11584	1.1
246.07416	0.8
267.13159	2.4
309.09406	5.7
333.11029	15.9
377.15790	1.7
421.14063	0.9
439.15329	69.8
440.15515	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85392	0.8
54.97167	0.9
56.96554	1.8
57.03432	1.3
57.93650	0.9
58.65975	0.9
69.91490	1.9
69.91902	3.9
70.06591	4.5
72.08150	2.6
74.06069	2.5
76.02222	1.0
82.06574	2.1
83.06102	1.2
84.04491	4.4
84.08122	1.6
85.02863	1.1
86.00646	1.5
86.99050	1.9
90.94789	1.0
91.05499	1.2
95.04989	1.1
97.02901	1.0
107.04937	5.5
108.08120	0.9
116.07098	1.1
116.98620	1.2
119.04970	1.2
119.30466	0.9
120.08112	6.4
128.07065	5.4
130.05016	1.7
133.06537	1.4
134.99728	1.2
145.02846	2.0
147.04404	3.9
163.02614	1.2
177.05522	2.0
177.10211	1.7
189.03296	1.6
190.03528	1.3
190.94820	1.0
192.94580	3.1
219.01767	1.2
234.98999	2.9
235.09084	1.3
252.97906	1.1
277.09418	1.8
289.03503	1.1
292.10321	1.7
293.09064	1.1
333.13623	1.1
421.03174	1.0
439.15750	100.0
440.16129	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01909	0.5
53.91800	0.5
55.05502	1.1
55.71785	0.5
56.05023	1.7
56.96560	0.6
57.03433	0.6
58.06588	0.5
60.04510	1.5
65.12100	0.5
66.49969	0.5
68.04982	0.7
70.06592	20.6
71.06907	0.7
71.58711	0.7
72.08157	6.8
73.08465	0.5
74.06080	1.0
74.71956	0.5
76.02213	0.5
79.05482	0.5
81.03397	1.4
83.01096	0.8
83.06087	1.0
84.04507	4.3
84.08144	8.5
85.02908	2.0
85.04832	0.5
86.09703	8.3
87.05593	1.0
88.04012	0.8
93.07040	0.8
95.01085	1.9
96.01862	0.8
97.02912	0.7
97.30619	0.5
102.05544	1.7
103.05476	1.8
105.06998	0.8
107.04940	2.9
109.02874	0.6
110.03336	0.5
110.07174	5.9
112.01376	0.9
113.02123	1.8
115.08662	0.7
118.06524	0.8
120.08109	8.7
122.07107	1.2
127.03885	1.0
129.06612	0.7
129.10240	4.2
130.05049	0.9
131.04956	2.2
131.06917	0.8
133.06479	1.2
134.06822	0.6
136.07600	2.2
143.06976	0.5
143.11821	0.9
144.08072	0.7
145.08385	0.7
156.07767	0.8
157.04745	0.8
160.07532	0.7
172.07372	0.7
172.08725	0.8
173.08109	0.9
173.12875	0.8
178.06183	0.6
180.28893	0.6
184.07356	3.5
184.08728	0.6
185.04195	3.0
195.08694	1.8
201.03741	1.2
201.12401	0.9
202.06073	3.0
206.04381	1.0
207.11230	0.7
224.05360	1.6
232.58142	0.6
237.02492	0.6
243.08556	0.8
246.33655	0.6
249.12373	0.6
250.06898	1.9
259.07977	0.6
332.07574	1.8
337.12082	0.6
347.09689	1.4
421.09076	1.0
438.23495	0.5
439.15753	100.0
440.16104	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.5
53.03929	0.9
55.01861	0.4
55.05533	0.4
55.54739	0.4
56.05029	1.3
60.04520	1.1
63.75556	0.3
69.03428	0.7
69.07072	0.5
70.06593	11.2
70.83804	0.7
70.84144	0.8
71.06921	0.5
71.13720	0.4
72.08148	3.0
72.11031	0.4
74.00658	0.6
74.06091	0.6
75.99679	0.3
79.05487	1.4
81.03398	0.4
81.66049	0.4
83.06088	0.6
84.04512	3.1
84.08142	5.7
85.02921	0.9
86.09703	4.7
87.05589	0.7
88.03996	0.5
94.47228	0.4
95.04435	0.4
95.04936	2.2
95.94435	0.4
96.27137	0.4
102.05601	0.5
104.10728	0.4
105.07018	1.8
106.07370	1.0
107.04954	100.0
108.05307	1.0
109.44218	0.4
110.07166	3.5
112.08713	0.4
116.07116	0.5
120.08095	2.5
129.03136	3.3
129.10234	2.4
133.06491	4.6
134.06818	3.8
136.07584	1.6
139.08443	3.2
153.05240	1.2
159.11362	0.4
171.06284	40.1
177.03310	0.6
183.14859	0.4
184.07372	1.0
185.04207	9.1
196.09521	0.5
203.05232	1.2
221.12633	0.4
232.04759	0.4
251.15025	0.6
296.44464	0.4
309.09454	7.4
333.11401	6.7
377.15634	2.5
395.07758	0.8
439.15677	24.5
440.16025	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06209	4.1
55.05516	11.8
57.03448	7.8
57.07081	5.1
62.06088	31.4
67.05503	17.1
69.07069	15.9
70.06599	6.7
71.58839	6.2
71.65836	4.5
79.05507	4.9
81.07063	19.6
83.08621	12.4
93.07052	13.9
95.08611	11.2
97.06529	6.8
97.10191	5.8
98.98485	21.4
107.08587	9.2
109.10150	10.9
110.91480	4.8
121.10149	12.8
129.05447	6.7
135.11690	10.8
146.70973	4.4
155.01091	9.9
169.49016	4.5
184.07454	9.3
198.61046	4.1
205.19539	10.2
223.20549	9.0
266.24844	13.4
291.01468	4.8
297.16431	4.6
297.24237	100.0
344.42029	4.0
347.25601	4.1
377.21088	4.4
381.53259	4.8
438.31073	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	438.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.5
55.05516	14.7
57.03439	10.7
57.07080	7.3
62.06091	1.6
67.05504	15.9
69.07070	22.2
70.06597	2.2
70.65834	4.9
71.08616	2.9
73.02916	1.8
79.05492	10.9
81.07059	16.7
83.08621	14.6
91.05493	2.6
93.07047	13.6
95.08611	11.8
97.06522	14.5
97.10189	7.4
105.07046	3.1
107.08591	8.3
109.10136	6.5
111.08087	2.0
111.11684	1.5
121.10139	16.3
123.11690	4.7
125.09567	1.8
129.05489	8.0
135.11707	12.3
145.10107	1.8
149.13252	3.4
163.14735	1.8
166.54739	1.2
184.07343	1.5
205.19537	10.7
223.20619	7.8
224.21112	1.3
261.18677	1.6
266.24780	3.2
290.99097	1.5
297.24258	100.0
298.24625	4.6
400.85312	1.5
438.19711	2.2
438.25613	1.6
439.32553	2.1
446.39899	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.6
53.53203	0.7
54.15092	0.7
55.01852	1.1
55.05500	1.9
56.05025	2.5
67.05508	3.9
68.05033	1.2
69.03429	2.8
69.07051	2.2
69.82631	3.8
70.06596	6.3
71.04987	1.0
72.08142	1.2
79.05487	4.4
81.03415	3.6
81.07034	5.5
83.08619	1.3
84.04501	3.0
84.08141	2.0
85.02932	0.7
86.06063	19.1
86.09704	2.1
86.96677	0.9
87.04465	15.6
89.06068	0.8
91.05470	2.7
93.07024	4.3
95.04955	4.2
95.08611	3.7
96.08073	0.7
97.06525	1.7
98.06053	22.8
102.05539	1.2
104.07099	13.4
105.07014	2.9
107.04948	100.0
107.08612	1.4
108.05263	1.6
112.07628	4.0
114.09140	1.0
119.08631	1.4
120.08121	0.9
121.10139	4.5
124.07594	1.7
126.05508	5.1
131.08594	2.5
133.10104	1.6
134.09624	1.5
136.06195	3.8
138.12791	1.0
139.11201	1.3
140.07047	1.4
142.08693	2.1
146.56949	0.8
147.11684	1.4
149.09613	9.7
154.08621	1.9
158.08134	2.6
166.12283	2.5
175.11212	1.1
184.13359	3.8
193.12201	3.8
195.13797	1.3
204.10135	1.8
206.15372	2.2
210.14873	3.6
211.13260	6.0
212.16454	0.9
224.16533	2.0
228.15987	1.1
234.14857	1.5
250.18062	1.0
252.15924	12.1
260.16473	1.1
270.16937	4.5
274.32159	0.8
278.17581	2.6
288.18015	29.3
288.21231	1.6
296.18515	2.9
300.17841	1.3
314.19583	65.4
315.19931	1.0
332.20660	38.3
374.97638	0.9
397.99329	1.0
420.23608	2.5
438.24435	5.5
438.76041	4.8
439.19394	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.3
55.05510	12.9
57.03428	6.2
57.07071	6.0
59.13702	1.7
62.06091	30.0
67.05500	13.6
69.07076	13.5
71.08605	2.6
71.44681	2.7
79.05484	8.6
81.07047	16.3
81.47276	1.8
83.08615	9.7
85.10173	2.3
86.09707	6.9
93.07044	9.1
95.08593	11.3
97.06524	10.1
97.10172	5.2
98.06079	2.5
98.98446	10.9
107.08580	8.2
109.10158	6.1
111.08031	2.3
121.10141	15.6
123.11685	3.6
124.01627	2.7
125.00014	4.8
129.05482	11.5
135.11684	8.3
149.13261	3.5
155.01047	10.6
184.07318	11.7
204.18428	2.0
205.19505	11.9
223.20575	6.3
248.13826	2.0
266.24796	15.4
297.24231	100.0
298.24667	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	438.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
53.92561	0.3
54.15574	0.2
54.28561	0.3
55.05504	0.7
56.05039	0.4
57.03425	0.5
60.04526	0.3
62.04704	0.3
67.05489	1.3
69.03424	0.5
69.07056	0.5
70.06593	3.8
71.58976	0.4
72.08159	1.4
79.05476	1.4
81.03418	9.2
81.07049	1.5
83.04963	0.5
83.08615	2.4
84.04491	1.0
84.08152	1.9
85.02896	0.3
86.09705	3.9
87.10056	0.3
90.64649	0.3
91.05477	1.8
93.07030	1.0
94.04115	0.3
95.04964	2.8
95.08589	0.4
96.29827	0.3
98.97567	0.3
102.05519	0.4
103.05450	0.3
105.07053	1.6
107.04943	1.7
109.06441	0.4
110.07164	1.2
111.08071	0.7
119.03532	0.6
119.08604	1.5
120.08089	1.0
121.10133	0.7
129.07002	1.2
129.10260	1.0
130.04985	0.3
131.04852	0.3
131.08543	1.0
133.10135	0.8
134.09583	0.4
136.06184	100.0
137.04581	1.0
137.06529	0.4
142.07759	0.4
147.08116	0.4
147.11668	0.6
148.05994	0.3
149.09647	0.7
152.05652	0.8
157.10144	0.7
169.44194	0.3
174.07800	0.3
175.11197	0.9
184.07365	1.2
193.12254	5.3
204.10147	0.5
209.47787	0.3
211.13245	0.4
267.15854	2.3
285.16953	1.6
420.22324	3.0
438.23422	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	438.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.01861	2.1
55.05501	1.8
56.96552	2.1
57.03411	1.4
59.04976	1.4
59.26345	0.9
60.95675	0.9
61.02916	3.2
62.90118	0.9
67.05490	4.9
68.99783	1.1
69.03426	8.1
69.07072	4.7
70.06587	1.0
70.51717	1.6
70.52112	2.2
71.04990	1.5
71.08627	47.2
72.08146	1.2
73.02905	2.7
79.05488	2.5
81.03410	8.4
81.07049	3.6
83.08625	1.5
85.02901	16.9
86.09660	1.0
87.00826	8.1
91.03950	2.1
91.05478	2.6
93.07023	2.4
95.04976	1.8
95.06075	1.5
95.08576	1.3
97.02881	8.9
97.10168	1.2
98.97555	1.3
99.04452	4.0
99.08086	100.0
105.01846	5.7
105.06999	1.3
107.04951	8.0
107.08573	1.0
109.02876	6.2
109.10152	1.7
115.03970	1.0
115.50061	0.9
117.01873	0.9
117.06929	1.3
119.08700	1.0
121.06497	1.0
121.10173	1.5
127.03918	10.2
129.12750	10.9
131.08487	1.2
144.94911	0.9
145.04970	3.0
155.08565	2.5
155.14255	2.6
159.02924	2.4
164.07098	1.3
173.15359	61.6
228.13159	1.2
230.06023	0.9
231.05019	1.9
283.08774	1.7
285.10132	1.8
323.10699	1.8
324.11444	1.5
357.15564	1.1
406.21219	2.2
438.26117	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	438.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	8.3
55.05504	3.6
57.03439	16.9
61.02931	14.5
61.83673	1.3
65.03934	1.9
65.92385	1.6
67.05507	92.2
69.03430	33.7
69.07059	2.1
70.06586	6.9
71.01345	4.1
71.04990	1.7
71.12560	1.9
72.08157	2.7
73.02918	78.1
79.05483	5.4
81.03402	5.8
81.07062	15.0
84.04505	1.7
84.08131	4.9
85.02905	72.5
86.09698	4.5
87.04456	4.5
91.03974	2.3
91.05464	4.1
93.07052	2.0
95.04958	2.9
95.08599	2.4
95.52258	1.3
97.02893	54.8
99.04449	4.0
103.03935	2.2
105.07039	1.8
107.04926	3.7
107.08559	2.3
109.02910	7.0
109.06449	1.6
109.10158	100.0
110.07092	1.9
115.03168	2.1
115.03939	30.4
118.71291	1.5
123.08032	1.9
127.03921	25.4
133.04961	28.4
133.10123	1.7
145.04953	27.7
149.09610	3.6
150.07579	2.8
163.05997	10.4
184.07408	3.4
191.08162	1.4
199.06050	2.4
211.05943	1.5
223.06036	7.1
223.13274	1.4
241.07024	8.6
259.08148	5.6
295.09952	1.4
319.58313	1.5
378.20975	1.8
380.65469	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.4
56.96558	1.4
57.07073	28.0
60.81787	0.9
67.05501	4.6
69.07062	100.0
69.92631	0.8
70.02732	2.2
70.03152	3.0
70.04057	3.1
70.06596	4.5
70.07416	2.0
70.07829	5.3
71.04980	1.5
71.08626	1.5
72.08195	0.8
75.00009	0.9
79.05488	3.2
81.03421	1.3
81.07050	2.1
84.08138	0.9
85.02871	1.0
86.09692	1.6
89.06023	7.1
91.05463	2.3
93.07019	1.9
94.74354	1.0
95.04937	1.7
95.08578	1.6
99.00011	4.6
103.03121	1.1
105.07033	1.9
107.04941	1.6
108.01575	0.9
108.05566	1.0
109.10152	1.4
111.04426	1.2
113.01553	1.7
115.07561	19.1
119.08666	1.0
121.10107	1.9
122.05930	0.9
126.99466	8.1
129.01030	12.8
133.08607	1.7
133.10037	1.1
135.11707	1.2
136.08684	8.9
141.01009	18.3
155.02577	11.3
161.09550	1.7
169.16176	0.9
176.08182	3.0
196.10789	8.9
197.07268	48.5
209.11592	1.1
225.06732	3.2
236.10283	3.9
264.17014	5.1
292.16589	2.9
297.24194	2.7
310.17603	2.1
318.26230	1.0
360.14691	2.2
368.97150	1.0
388.14096	3.8
391.14639	4.0
406.15244	12.3
420.16776	55.1
421.16919	2.9
438.18256	4.5
438.25409	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	438.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
67.05486	0.8
67.76702	0.5
68.62721	0.5
69.03419	2.1
69.48715	4.2
72.81986	0.5
77.03905	0.6
79.05474	1.8
84.04484	1.1
85.02885	2.0
86.99064	1.3
89.71146	0.6
95.04972	2.7
96.08170	0.6
97.02896	0.9
97.06528	0.5
106.06562	2.8
106.34753	0.5
107.04947	100.0
108.05301	1.4
108.08109	57.3
109.08441	0.9
123.06791	2.0
124.07592	6.4
134.05998	5.0
136.07561	8.4
147.04364	0.6
152.07056	42.7
153.07350	1.0
153.22479	0.6
153.47046	0.5
154.08609	1.6
170.08116	5.5
189.03276	1.7
215.04878	0.6
234.98973	0.6
314.12305	19.7
315.12900	0.6
332.13376	80.3
333.13663	2.4
350.97162	0.7
438.17474	7.1
439.00116	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.3
57.07074	28.1
58.03312	0.8
67.05491	2.5
68.98592	1.1
69.07062	100.0
70.04044	1.1
70.07411	1.5
70.07836	4.7
71.60124	1.5
73.06544	3.7
79.05474	1.7
81.07036	1.6
82.06589	0.8
84.68235	0.9
89.06036	1.3
91.05463	1.0
93.07024	1.6
95.04931	1.0
95.08614	2.0
96.05626	0.9
99.00002	2.9
105.07068	0.8
105.87388	0.9
107.04891	0.8
107.08558	1.6
111.04404	1.0
112.05103	0.9
112.36822	0.9
113.01566	2.0
114.02993	3.9
115.07552	9.8
119.08548	1.1
126.99453	7.7
129.01030	19.5
134.07120	2.0
136.08656	9.4
141.01003	22.0
148.08679	14.4
149.09480	3.4
150.10271	1.8
155.02563	7.5
156.07672	1.2
159.11719	1.1
162.06665	1.8
162.10245	1.0
169.04152	15.3
176.08202	6.2
181.08479	1.3
196.10876	2.7
197.07272	41.7
198.07527	1.1
207.05655	1.4
209.03583	2.1
223.09602	2.3
225.06802	1.9
232.14494	2.9
233.15198	1.8
234.15912	5.7
236.10278	3.2
237.11044	11.6
252.13495	3.1
252.23512	0.9
254.11494	0.9
265.09821	7.4
292.16437	4.6
293.17191	3.5
316.06235	1.0
360.14682	29.5
361.15182	2.3
364.10605	1.5
378.15802	1.7
388.14285	2.1
392.17300	1.9
420.16818	95.9
421.16931	5.1
438.17880	23.2
438.34277	1.7
439.18179	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
55.01876	0.8
56.96548	1.0
61.02924	1.4
65.03930	0.8
67.05492	1.1
69.03419	2.8
70.02959	0.7
70.06594	2.3
71.58536	1.1
73.02898	0.9
76.02220	1.0
76.04017	0.6
79.05492	2.5
80.05018	0.9
84.04504	5.0
84.08121	1.3
84.35680	0.7
85.01117	1.8
85.02896	3.3
86.00648	1.6
86.06039	1.2
86.99049	3.6
87.04495	1.1
91.05471	1.2
93.05733	0.9
95.04919	3.7
97.02875	2.2
97.06517	1.3
98.97557	1.8
102.05511	0.9
106.06548	1.8
107.04948	100.0
108.05280	2.2
108.08108	55.5
109.08429	1.0
112.02197	1.1
114.03699	0.9
116.01666	1.2
116.98614	1.2
119.01125	0.7
119.01888	3.3
119.04947	2.7
123.06809	1.9
124.07591	6.6
128.98628	0.9
130.03300	0.7
130.04999	2.0
131.01866	1.6
132.02126	1.1
133.03464	4.2
134.06003	5.2
136.07565	9.5
142.03291	1.0
143.01851	1.2
143.02817	0.9
145.03682	0.7
145.04953	0.8
147.04372	7.6
149.01189	1.5
151.04543	2.4
152.07050	38.2
155.01891	1.2
161.02983	2.9
163.03940	1.3
170.08089	4.4
173.02956	1.7
175.04498	2.4
176.01091	2.4
178.03882	0.8
187.04564	1.7
189.03294	3.6
189.05977	1.2
201.06010	1.6
211.04506	1.2
213.12323	1.0
215.04793	1.9
217.05992	1.0
237.02913	1.1
247.04492	0.9
265.05640	1.6
277.08493	1.2
291.10025	2.0
295.08698	3.5
311.06427	0.8
314.12302	20.0
321.10278	0.9
332.13373	77.9
333.13678	2.1
353.07471	0.8
361.03989	1.2
415.81082	0.8
438.17877	7.1
439.08194	1.4
439.14139	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	438.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	4.9
56.05015	11.6
57.03424	5.7
58.99575	19.9
61.01166	5.2
68.05041	4.5
70.02948	7.3
70.06581	7.3
71.57307	6.7
72.04504	8.1
74.00658	14.1
76.02225	28.1
76.04002	6.5
79.05495	5.1
83.06554	5.3
84.04507	100.0
84.08146	5.3
85.01128	33.8
86.00652	34.7
86.99060	73.7
88.02218	5.8
94.71135	4.5
95.04960	6.0
97.01098	7.2
97.06548	23.7
98.06064	4.3
102.03759	15.3
102.05511	11.3
107.04993	4.6
108.08173	4.5
108.52700	4.2
112.02192	28.9
113.05978	6.3
114.03748	15.4
116.01663	29.0
119.01915	5.0
119.19252	3.9
121.97047	4.8
122.92796	3.8
129.06593	5.0
130.03189	14.2
130.05025	31.7
130.57501	4.2
140.01643	4.4
142.03250	21.1
143.01941	3.8
143.02765	35.2
144.01099	10.3
146.01239	6.1
153.06569	5.7
155.08131	8.3
158.02650	5.3
162.02132	10.4
168.04738	4.7
169.04309	5.3
170.06357	11.1
170.07747	4.2
177.03235	8.2
179.04845	12.5
188.05893	5.6
188.07411	5.8
189.03297	91.9
196.04324	7.7
205.06400	7.5
206.06885	21.1
215.04840	47.2
217.06400	13.4
230.06949	10.6
233.05838	11.6
257.09442	7.7
269.06033	4.2
274.05933	8.3
276.07535	11.2
287.06921	17.1
291.10049	33.1
318.08331	5.2
318.17648	8.6
363.55362	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	438.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.5
56.05038	13.0
56.96566	2.1
57.03436	3.6
58.99587	16.0
60.04525	2.9
61.01140	3.2
63.28941	1.6
67.05495	1.8
68.05020	6.1
69.03431	1.6
69.61378	9.2
69.61785	3.6
70.02944	7.3
70.06579	4.6
71.04991	2.9
72.04509	5.6
72.08137	1.7
74.00660	15.5
76.02222	21.7
76.04001	7.5
80.05022	7.2
81.03410	2.5
82.06564	3.3
83.06116	6.1
84.04500	86.6
84.08147	3.7
85.00630	3.2
85.01125	39.5
85.02892	5.0
85.04031	3.1
86.00137	2.1
86.00647	34.5
86.09704	2.0
86.98515	3.5
86.99050	61.0
87.02699	2.9
88.02223	3.9
89.00604	3.3
92.01708	2.5
95.04974	3.5
96.04469	4.2
97.01112	6.0
97.02917	2.0
97.06525	22.0
98.00664	2.0
98.06059	2.2
98.21572	1.7
98.97578	2.1
99.05589	3.2
100.02216	4.2
102.03760	20.2
102.05546	14.0
107.04964	10.1
108.04488	4.8
108.08079	4.0
109.07623	5.0
112.02195	31.4
112.03942	3.3
112.07613	2.2
114.03757	15.0
114.05525	3.0
116.01666	26.2
117.03778	1.6
120.08045	2.0
124.02229	1.7
125.00468	1.9
126.03791	2.6
126.05460	1.7
127.02151	5.6
129.06650	3.8
129.10254	3.0
130.03244	12.0
130.04987	28.4
131.04521	2.4
132.01218	2.4
132.61438	1.5
137.08351	5.2
140.01672	2.7
142.03204	20.4
143.02730	31.2
144.01147	4.4
145.06116	3.6
152.07036	3.5
153.06621	2.2
154.06885	3.2
155.08160	6.9
156.06584	3.3
158.02739	6.6
162.02220	10.8
168.04797	2.5
169.04318	7.3
170.06308	9.6
171.02272	7.5
172.07840	2.1
173.09146	2.3
177.00807	1.9
177.03326	8.0
179.04857	11.0
181.06108	2.1
184.05968	2.0
185.03810	2.1
188.03806	3.9
188.07422	3.8
189.03285	100.0
196.04285	9.4
199.07167	2.4
205.06381	7.7
206.08450	6.2
211.41850	1.8
215.04849	43.0
217.06407	16.1
219.01802	1.7
224.03751	3.9
229.09727	2.2
231.04366	2.2
233.05879	13.0
241.06418	3.6
243.04222	1.9
245.05894	2.2
257.09528	5.6
259.07568	1.7
269.05786	2.5
273.08823	3.2
287.06946	19.7
291.10071	36.0
301.12045	1.9
307.08337	2.0
309.11148	1.9
332.13245	2.3
345.11221	2.5
346.23126	1.8
362.10150	6.9
420.13641	2.9
438.15768	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	438.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.6
55.01870	7.5
55.05508	6.1
56.05027	10.5
57.03418	3.3
60.04519	7.6
61.02920	5.4
61.45795	3.0
69.03430	26.5
69.07071	7.1
70.06593	100.0
70.82852	5.8
70.83176	3.9
71.04982	4.5
71.06917	6.4
72.08155	42.0
73.02910	5.0
73.41634	2.8
74.06075	4.5
81.03416	19.0
83.06124	4.2
84.04501	29.9
84.08145	50.0
85.02905	47.3
85.04028	6.0
85.08493	3.4
86.06080	4.5
86.09709	46.1
87.00835	13.8
87.05582	4.5
91.05496	4.5
97.02895	21.5
98.06064	3.1
99.04460	9.7
99.05579	6.4
102.05524	10.3
105.01871	18.4
107.04940	18.7
109.02876	18.0
110.07153	24.6
112.08728	7.4
115.08672	7.5
115.57397	2.9
116.07095	5.7
117.01872	4.9
117.07024	3.6
117.15461	2.6
118.06578	9.0
120.08112	28.7
121.08450	4.0
124.99997	5.5
127.03935	33.2
127.04874	4.6
129.10229	24.8
130.04971	8.8
130.06551	27.4
130.08612	4.7
130.10519	3.9
132.08168	3.2
136.07571	12.2
141.10217	3.7
144.08092	33.7
145.04982	10.1
145.06052	3.9
156.08125	4.4
159.02902	7.8
160.07568	26.6
168.08076	12.2
170.06047	4.8
172.07588	44.3
175.11905	3.5
177.03310	5.9
184.07375	19.8
186.09265	5.9
189.03685	3.1
190.08678	18.1
196.07527	3.8
214.08693	15.7
231.04913	4.6
231.84901	3.2
232.09671	10.1
273.13226	3.4
298.10910	3.5
334.98599	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	437.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.6
55.05513	10.2
60.84341	1.5
67.01866	3.2
68.99783	5.9
70.06578	7.4
70.82928	1.7
70.83273	3.7
72.08156	100.0
73.06550	13.1
83.07478	1.3
84.04523	2.9
84.08146	3.5
85.02926	7.3
86.09721	1.5
89.10800	17.1
98.06058	10.1
98.97602	1.6
102.18344	1.4
107.04958	2.7
110.07153	1.7
111.00803	12.7
114.05537	3.3
114.09169	3.1
115.08652	1.9
128.03435	22.4
128.57903	1.4
129.01851	14.7
138.01825	6.8
139.00273	6.4
140.03392	11.5
140.07114	8.2
150.01877	22.8
156.02917	5.2
156.10223	14.4
157.01315	4.1
157.09637	1.9
158.04475	3.2
166.08662	3.8
168.02893	2.8
173.12831	14.1
174.03979	1.9
182.08124	44.0
186.04002	2.0
189.03294	1.7
192.06555	24.1
199.10780	35.8
200.09187	4.7
209.09251	7.0
210.07573	13.3
217.11899	1.5
225.08687	2.7
228.08665	15.4
235.06984	2.3
245.11320	33.2
246.09766	13.6
263.12381	27.6
283.12839	10.6
293.11310	3.2
300.24142	1.5
301.13953	2.9
309.10806	17.0
310.22665	1.7
311.12482	2.0
319.09235	35.8
327.11899	7.6
329.07816	2.0
329.13361	4.0
337.10266	8.3
345.13013	3.4
347.14496	4.4
348.86877	1.5
355.06909	3.3
355.11334	58.0
359.09763	1.4
373.12372	33.5
391.13791	9.4
419.12988	15.4
437.14056	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	436.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.7
55.01888	0.7
55.05506	1.8
56.96582	0.8
57.03420	1.1
58.25506	0.8
67.05508	4.4
67.56853	0.7
69.07061	3.8
70.06582	1.3
70.34675	1.7
70.35070	1.9
78.97735	0.7
79.05495	2.5
81.07053	3.4
83.04985	2.5
83.08605	0.9
84.08154	1.0
91.05472	2.7
93.07025	2.3
95.04987	0.7
95.08601	2.6
97.06530	1.2
98.06062	0.9
99.57564	0.7
100.07607	1.0
105.07027	3.3
107.04959	1.9
107.08600	4.5
109.06512	1.2
109.10173	3.9
111.08106	0.8
115.05451	1.2
117.07056	0.8
119.08574	0.9
123.11696	0.8
129.06923	1.0
129.33434	0.7
130.98036	0.6
131.04915	0.9
133.10158	7.6
135.11685	1.6
141.07011	2.2
142.07652	0.9
143.04932	0.9
145.06493	2.5
145.10132	1.2
146.07260	0.7
147.11670	0.8
151.11191	3.9
152.06207	1.1
153.07065	1.6
153.12703	0.7
155.08554	1.6
157.06512	1.3
165.06995	6.7
166.07819	3.6
167.08598	2.5
168.13841	7.0
169.06487	3.3
170.15440	3.4
171.07988	0.9
173.13271	0.9
178.07787	4.3
179.08601	5.9
180.09299	1.7
180.13811	2.7
181.06485	5.0
181.10086	3.8
182.07222	1.0
183.08083	2.4
185.06004	2.5
189.07019	2.7
190.07733	2.0
191.08588	4.0
191.14290	1.4
194.07256	3.3
195.08032	3.5
196.05212	1.9
196.08871	2.9
197.05975	3.3
197.09647	1.0
198.06810	2.5
205.06534	1.3
206.07234	4.2
207.08052	8.1
208.08894	6.2
209.06010	2.7
209.09615	9.6
210.06569	0.8
210.10422	2.3
211.07544	6.1
212.04813	0.8
212.08247	1.2
213.05470	3.3
213.09103	2.4
219.08072	2.5
221.05911	1.2
221.09637	1.7
222.06799	2.5
223.07613	2.6
224.08350	3.6
225.09117	3.1
226.06224	1.4
226.09918	1.9
227.07091	1.7
228.07748	2.4
229.08597	3.3
234.06833	2.2
235.07541	11.0
236.08324	2.2
237.09166	10.0
239.06979	1.7
239.10666	1.9
240.07857	2.5
241.08609	10.9
241.12268	1.3
243.10204	10.9
249.09097	12.5
251.10690	8.3
252.07866	1.8
254.09450	1.6
255.10159	1.1
267.10175	76.7
268.10544	1.1
269.11731	100.0
270.12073	2.1
281.11655	1.3
283.67746	0.9
284.12833	1.9
295.13297	0.9
299.08337	0.8
305.11148	0.7
309.14771	1.0
321.14914	1.0
401.21057	3.3
403.43265	0.8
419.22195	5.5
419.82401	0.9
436.24716	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	436.236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.9
55.05507	14.7
55.63493	0.4
57.07075	3.1
59.04994	1.4
61.02916	0.6
67.05499	2.4
69.03423	0.5
69.07061	10.4
69.81734	2.1
69.82143	0.8
70.04072	74.2
70.06605	0.4
71.04430	0.4
71.04968	0.7
73.02926	0.5
73.06545	1.0
75.00008	0.5
79.05482	1.7
81.03421	0.5
81.07058	1.5
81.35137	0.4
83.08131	0.9
83.08611	12.7
85.02892	1.2
87.08079	0.6
91.05467	1.4
93.07040	1.9
95.04957	0.4
95.08595	1.1
105.07040	0.9
107.04956	1.2
107.08582	0.5
109.10160	1.3
110.10440	0.4
111.08077	1.4
115.05480	1.0
116.06225	1.0
119.08612	0.4
120.08092	0.4
121.06518	0.8
121.10082	0.5
125.01537	7.2
125.09631	0.4
127.03858	0.5
129.01009	0.4
129.07036	0.6
131.08594	0.7
133.10196	0.6
139.03152	0.5
141.01013	0.7
143.08546	0.6
151.03082	2.2
195.11604	0.4
197.07283	1.4
197.13142	0.6
198.12363	100.0
199.12677	0.8
231.22070	0.5
312.03241	0.6
436.23624	88.3
437.24158	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	436.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.2
56.96557	3.4
57.05581	2.0
66.12475	2.2
68.65430	2.4
69.03411	2.7
70.06579	5.6
71.58977	3.9
74.07699	2.0
76.70287	2.3
79.05484	10.7
79.55866	2.2
81.03436	5.5
81.07054	3.3
84.04481	2.3
85.02895	9.4
90.50179	2.3
91.05470	4.6
93.07010	3.7
95.04948	4.8
95.08585	7.3
97.02863	2.7
97.06512	12.4
99.04479	3.1
103.30167	2.7
105.03404	2.5
107.04955	45.6
111.29590	2.1
119.08618	3.5
123.04420	100.0
123.05315	5.3
123.08041	2.3
123.13621	2.1
124.04710	3.2
125.05979	3.1
133.10190	2.6
143.07053	4.0
161.09586	4.7
163.03903	5.4
165.09061	3.3
187.43500	2.8
213.54189	2.1
221.11699	37.0
239.12785	5.3
256.09564	3.6
257.02969	2.5
385.80865	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	436.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.8
54.73373	3.3
55.05499	3.9
65.53939	3.5
67.05485	3.7
69.03426	5.2
69.07053	3.1
70.06590	19.8
71.04986	4.3
71.57724	8.7
72.08164	4.4
79.05498	28.4
81.03410	14.2
81.07043	3.8
83.04996	9.8
84.04517	11.5
84.08128	8.0
85.02910	15.2
86.09701	5.8
86.99068	3.6
91.05523	7.8
93.07043	12.4
95.04988	5.5
95.08601	17.8
97.02885	5.3
97.06528	37.6
99.04457	5.2
105.07001	7.8
107.04975	9.7
107.08601	4.1
110.07165	6.1
112.08677	3.7
119.08572	5.9
120.08082	5.9
121.06516	12.4
125.05988	10.5
130.05046	6.2
133.10153	11.5
135.08031	7.6
143.07047	19.5
143.08565	4.3
145.10074	3.6
157.10081	5.9
161.09612	18.1
165.09105	8.1
175.11197	4.9
179.10657	3.5
190.07446	4.2
191.10770	5.6
203.10678	3.9
221.11732	100.0
228.80814	3.3
239.12798	12.9
436.23352	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	436.2107
Annotation	Cryogenine
Peak:m/z	Relative Intensity
55.01867	12.5
55.05504	11.2
56.05021	2.0
57.07082	6.9
58.99584	9.8
58.99846	1.6
60.04512	1.5
61.01147	1.7
62.12595	1.1
62.99076	8.5
65.03932	1.3
67.05505	9.2
69.03417	2.1
69.07064	100.0
70.02938	3.0
70.06595	1.5
70.07397	1.3
70.89198	2.8
73.01144	2.1
74.00658	20.9
74.02442	1.4
76.02219	7.1
76.03989	4.8
77.00625	2.4
78.03768	1.4
79.05484	3.6
81.07020	1.2
83.06094	7.6
83.08624	3.9
84.04499	44.7
85.01109	1.1
85.04025	3.7
86.09708	1.5
86.99030	6.7
87.02692	36.6
88.02200	10.7
89.00623	2.0
89.06017	1.2
92.01707	1.7
93.07029	3.1
94.12162	1.1
99.02666	3.6
99.05568	4.8
101.04220	5.4
105.54486	1.1
106.45589	0.9
107.04942	2.4
107.08582	1.9
109.10177	2.7
111.11714	14.5
112.03958	14.3
113.04208	1.5
116.01670	44.9
127.05808	1.7
129.06593	13.9
130.04999	62.6
131.04527	2.1
133.08472	1.0
135.11656	3.0
142.03258	1.8
143.08871	24.6
144.01137	18.3
145.06082	11.3
145.07674	1.1
146.02654	1.3
147.09135	3.5
153.06583	1.5
157.10547	1.3
159.08330	20.3
161.09947	28.9
162.02194	97.3
169.10460	13.0
174.02315	1.1
177.03276	11.1
186.13127	8.8
187.11499	24.2
191.08160	11.4
204.14142	12.7
216.07680	2.0
231.04480	1.5
233.12108	1.3
256.09177	1.2
272.13132	44.8
289.12540	2.0
289.15720	15.8
290.14175	64.3
291.14355	1.9
305.14758	1.2
307.13321	1.6
307.16833	34.7
343.16772	2.9
349.13791	3.7
361.13416	1.8
361.17905	34.8
362.18024	1.4
373.17993	1.5
388.04977	1.3
393.12427	1.8
418.19919	1.8
436.14322	5.3
436.20813	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91488	0.8
52.69970	0.8
53.03936	1.9
55.01864	2.6
55.05502	6.9
56.05019	1.2
57.03426	5.9
57.07065	1.5
58.39023	0.8
58.99580	14.8
61.01125	0.9
61.02909	2.9
67.05494	3.3
69.03425	24.6
69.07065	61.1
70.06583	5.8
70.07404	1.2
71.01357	5.5
71.04987	4.1
71.41449	1.0
71.60291	1.3
72.08144	3.5
73.02905	3.0
76.02221	6.9
76.04003	3.6
79.05482	1.8
81.03410	8.8
81.07055	1.8
83.06105	1.8
83.08631	2.2
84.04494	17.2
84.08144	2.4
85.02887	4.7
86.09692	2.5
86.99050	11.1
87.00839	5.7
87.02705	1.8
87.04454	2.4
88.02218	2.8
89.05999	4.4
91.03964	1.1
91.05460	2.5
93.07054	1.0
94.00968	1.0
95.04934	1.6
95.06120	1.5
97.02886	1.5
97.06541	1.7
99.02654	1.0
99.04442	10.6
99.05557	1.7
104.10739	2.5
105.01838	2.8
107.04955	13.3
109.10165	2.4
111.11702	10.5
116.01667	49.4
117.05491	6.0
118.06528	2.6
119.04932	1.8
120.08169	1.9
124.07568	0.9
127.04029	0.9
129.06598	4.1
129.12747	2.8
130.05020	3.7
132.08086	1.6
133.08597	2.7
134.09705	1.1
136.06187	1.0
142.03218	4.5
144.01137	24.3
144.13811	2.6
145.06230	1.5
145.07605	11.7
145.81161	0.9
146.08414	1.8
147.04387	7.6
147.07965	1.9
147.09157	28.0
155.78430	1.0
157.10393	1.1
159.09181	13.2
160.09889	3.8
161.10724	1.0
162.02191	100.0
170.02753	1.8
170.08392	2.9
171.09201	2.1
173.07224	1.3
173.10744	3.3
175.08675	1.2
179.04706	0.9
184.07350	2.5
184.09930	5.9
185.10732	53.2
186.11330	5.0
187.08900	1.1
187.11400	20.3
189.10223	11.3
190.09836	2.1
191.08148	75.4
192.08534	2.6
197.10779	3.9
198.11508	1.2
199.08598	2.2
199.12285	11.3
201.10249	2.9
203.05553	3.9
209.10776	3.0
213.10234	3.8
215.04935	1.5
215.08205	1.6
215.11824	3.8
216.07669	13.0
225.10202	1.8
227.11894	3.8
228.50633	0.9
245.05916	1.3
245.12849	14.3
263.13907	6.3
271.10828	1.7
272.13071	1.3
273.08160	2.3
289.11844	3.2
290.14185	37.6
291.14709	1.5
305.14932	41.9
306.15088	2.6
307.12943	7.5
307.16895	11.2
331.12723	5.8
349.07690	1.6
349.13834	9.1
350.13571	1.8
361.17905	15.4
392.14465	11.8
393.12784	19.0
418.21384	1.0
436.13541	57.9
436.22443	5.3
437.13730	4.2
437.21405	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.6
53.03933	0.6
67.05502	0.6
67.46940	0.2
69.03377	0.2
69.05350	0.2
69.46128	0.4
69.46534	1.7
70.06580	0.3
71.04959	0.3
77.03923	0.9
85.02895	0.5
95.04946	1.2
95.87399	0.3
99.04449	0.5
105.03360	1.6
107.04944	13.9
117.05485	0.4
123.04416	100.0
124.04767	1.0
124.56857	0.2
135.06508	0.3
200.95831	0.3
370.94641	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.1
51.73824	0.8
53.03950	1.4
69.55898	5.8
70.06586	3.8
77.03951	1.2
78.56551	0.8
79.21067	0.8
81.39693	0.9
84.04503	1.8
84.08141	1.3
94.06613	0.9
95.04972	1.9
97.02888	1.0
107.04952	100.0
107.99381	0.9
108.05311	2.0
113.61597	0.8
118.42383	0.8
123.04424	67.8
130.04973	2.2
178.82288	0.7
211.02092	1.6
432.03040	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.4
57.07072	31.1
67.05502	1.4
69.07064	100.0
70.07453	1.2
70.07844	6.4
93.17255	0.7
94.04197	0.8
95.40727	0.7
99.00027	5.0
103.03140	2.0
113.01580	2.6
115.07565	33.2
126.99467	11.4
127.03133	1.0
129.01035	16.4
129.74081	0.7
139.00591	1.3
141.01009	21.9
155.02586	8.9
161.09755	1.0
197.07278	79.4
198.07634	2.1
225.06808	5.7
248.13660	0.8
308.16428	1.3
315.69272	0.8
332.58191	0.8
333.89932	0.8
349.28928	0.8
376.14175	0.9
404.13779	11.9
436.16382	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	436.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30511	0.2
53.03946	1.4
55.01876	2.1
55.05492	0.4
55.70623	0.2
57.03433	2.7
58.99561	0.4
59.04979	0.2
61.02921	1.4
62.95422	0.2
62.99066	0.3
67.05486	0.6
68.99766	0.9
69.03423	7.4
69.07061	3.4
69.60925	0.3
69.99297	0.3
71.01340	1.2
71.04985	3.8
71.60243	0.3
73.02888	1.0
74.00636	0.6
79.05479	0.6
81.02974	0.5
81.03413	7.0
84.04514	1.5
85.02870	0.5
87.00829	2.0
87.02697	1.3
87.04464	0.4
88.02226	0.3
91.05464	1.1
93.07036	0.3
96.48221	0.2
97.02872	0.9
99.04445	6.2
99.39738	0.3
103.05472	0.3
105.01844	0.8
105.07015	0.6
107.04951	2.0
108.05302	0.6
111.11687	0.5
116.01675	1.2
116.04995	0.3
117.05488	3.1
118.06540	3.7
120.08089	0.9
121.06428	0.3
128.31635	0.2
129.01862	0.3
129.06543	0.5
130.05008	2.2
130.06512	0.6
131.06064	0.4
132.06863	0.6
132.08052	1.7
135.06535	0.3
141.05458	0.3
143.08855	1.0
144.01144	0.6
144.06824	0.3
145.07600	14.2
146.08388	2.0
147.09161	24.8
148.09502	0.4
157.07620	1.1
158.08307	0.4
159.09181	17.1
160.09961	3.8
161.10930	1.6
162.02196	3.4
169.10472	0.6
170.08366	0.5
171.09192	1.7
172.08687	0.4
173.07016	1.4
173.10736	2.7
174.11479	0.5
175.08652	2.9
182.08339	0.4
183.09221	0.6
184.09987	2.0
185.10742	5.4
186.11446	0.7
186.13037	0.5
187.08641	1.6
187.12212	1.0
189.10219	4.2
190.09746	0.9
191.08142	100.0
192.08522	2.3
197.10718	3.2
198.11340	0.4
199.08676	1.6
199.12306	5.2
200.09370	0.4
201.10211	2.0
202.11006	0.3
203.05464	0.4
203.11792	1.4
209.10619	0.3
213.10219	0.8
215.08177	1.2
215.11765	2.8
216.07672	12.4
217.09811	0.3
219.11302	0.5
222.09584	0.5
225.10213	1.5
227.11760	3.2
229.13365	1.0
231.10986	0.3
233.09251	0.9
233.12852	0.6
243.11276	1.3
245.09195	1.6
245.12837	6.1
253.09682	0.7
258.08514	0.3
259.10803	0.6
263.13919	5.0
271.10712	2.4
272.13159	1.9
273.12198	0.3
277.11511	0.3
289.11819	4.2
289.15359	0.5
290.14227	2.4
305.14948	7.2
306.14777	0.5
307.12872	19.6
307.16595	1.3
308.13177	0.6
331.12955	1.6
332.12140	0.5
348.15393	0.4
349.13913	36.6
350.13855	3.2
361.17780	1.2
374.13458	0.8
375.11801	2.5
392.14484	11.7
393.12885	21.0
394.12991	0.4
412.89478	0.3
436.13486	48.5
437.13773	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	435.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.9
53.03936	2.2
57.07069	0.9
67.05485	1.3
69.07065	0.7
71.60210	0.7
77.03905	0.6
79.05485	6.7
81.07048	1.5
87.04459	1.1
89.06026	7.6
91.05478	3.3
93.07030	4.9
95.04964	3.8
95.08611	1.6
103.05457	4.8
104.71825	0.5
105.07022	100.0
106.07346	1.0
107.08559	0.6
109.06524	0.7
109.10159	0.7
119.08564	1.7
121.06495	16.0
121.10105	0.7
131.08569	1.4
133.08586	4.6
137.58328	0.6
139.07492	1.3
143.08463	0.5
145.10118	0.7
147.08075	0.6
149.09659	0.6
159.11676	0.7
165.09100	9.5
173.13245	0.7
209.11609	0.8
209.13286	1.6
225.12822	0.9
227.10497	1.2
227.12766	24.0
269.15405	0.9
343.26193	0.8
391.18704	0.6
407.65128	0.6
414.62952	0.5
419.69580	0.6
435.31674	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2739
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
53.03936	2.8
55.01861	2.6
55.05256	1.1
55.05508	16.5
56.96559	0.6
57.03432	3.1
57.07065	2.7
59.05005	3.1
61.02919	1.1
65.03937	3.4
67.05499	100.0
68.05825	1.6
69.03435	2.0
69.07059	11.5
69.23398	0.6
70.04057	4.2
71.04990	4.5
71.60140	0.7
72.08141	0.7
73.02934	0.7
73.06568	0.7
79.05489	37.1
80.05846	0.8
81.03416	4.8
81.07050	34.6
82.07385	0.9
83.04983	7.1
83.08608	6.4
85.02876	1.0
85.06549	3.2
87.04465	0.8
91.04897	1.1
91.05025	0.6
91.05474	30.7
93.07038	31.1
95.04961	11.1
95.08602	16.4
97.02911	0.8
97.06525	2.8
97.10175	2.0
99.08060	0.7
103.05464	1.0
104.15755	0.6
105.03352	0.8
105.07025	21.9
107.04951	5.8
107.08585	10.8
109.06506	4.6
109.10148	55.1
109.78811	0.7
110.10481	1.0
111.08108	2.1
115.05476	1.3
117.07018	5.7
119.08570	15.2
120.08935	0.7
121.06522	2.5
121.10149	2.7
123.08080	2.8
125.09612	1.2
127.07603	0.8
128.06186	1.5
129.07007	7.4
131.08542	3.1
133.06494	1.3
133.10106	6.5
135.11700	1.7
137.09651	2.3
143.08545	5.0
145.06502	0.9
145.10086	5.4
147.08099	1.7
147.11676	17.5
147.12769	1.1
149.09595	0.9
155.08586	1.1
155.10689	2.4
157.10158	1.4
159.11684	1.0
161.09641	2.1
161.13239	5.1
163.11127	0.9
169.10117	0.7
171.11661	11.7
171.12888	0.8
172.12247	0.7
173.11737	15.7
173.12932	0.6
189.12717	6.0
196.10817	1.2
197.07256	0.9
207.13792	13.8
208.14233	0.7
219.10211	0.9
225.14883	2.2
233.11755	1.0
245.11807	0.8
281.17444	1.5
283.13519	0.7
293.13998	1.2
336.99521	0.6
343.22653	1.6
353.20880	0.8
369.20642	1.2
399.21646	1.6
417.22244	1.0
435.10666	1.6
435.22525	2.7
435.27487	37.0
436.21802	2.0
436.27917	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2507
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
55.05500	27.8
57.03432	16.0
57.07080	19.1
64.67481	9.4
67.05514	49.1
69.07063	18.2
71.08599	15.3
74.58449	9.6
79.05494	14.2
81.07063	70.8
83.08643	21.2
91.05492	17.2
93.07044	12.8
95.04932	11.4
95.08614	52.4
97.10171	9.7
98.20695	17.7
98.98459	100.0
107.08584	18.8
109.10158	26.8
135.11736	9.6
140.99466	29.9
155.01025	16.6
197.02118	96.3
263.23834	27.3
337.27328	99.2
359.09094	9.9
395.12234	12.2
413.00903	9.8
435.28891	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	435.2529
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
52.53687	1.2
55.05490	2.3
56.96551	2.1
57.03419	1.7
57.07073	5.1
61.02924	3.7
65.46220	1.3
67.05498	9.0
69.03404	2.3
69.07050	6.7
70.61625	1.3
71.59741	1.8
73.02911	2.1
76.31126	1.4
79.05475	8.5
81.03423	2.2
81.07076	7.6
85.02913	3.6
87.04449	2.8
89.06026	6.5
91.03947	1.9
91.05467	8.2
93.07048	8.3
95.04977	7.2
95.08613	6.1
97.02892	3.9
97.06525	1.5
97.10175	1.6
103.05470	4.8
105.07027	100.0
107.04929	1.5
107.08570	2.6
107.59817	1.3
109.06548	2.2
109.10168	5.1
115.61389	1.7
117.07033	1.7
118.19569	1.4
119.08574	4.4
121.06512	16.5
121.10141	2.5
129.06929	1.8
131.08559	3.3
133.08575	4.1
133.10147	2.7
140.99438	2.1
141.00990	3.0
143.08598	1.4
145.10132	1.9
147.08067	2.8
158.97653	1.7
165.09116	10.5
189.00607	2.3
197.02058	1.9
197.07500	1.8
208.99881	1.5
209.13213	3.4
217.07500	3.3
219.05132	3.3
224.08118	1.5
227.12767	26.2
229.07484	9.9
247.08496	11.6
252.08975	2.4
252.34230	1.6
276.44470	1.7
296.10156	5.2
335.25800	2.3
349.15884	4.9
435.27448	3.5
441.19373	1.8
456.52380	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	435.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38105	0.7
53.03941	1.3
53.75657	0.5
57.07064	1.2
66.77921	0.6
67.05476	0.5
69.07061	0.8
69.93833	2.7
71.08608	0.5
79.05489	6.4
87.04444	0.9
89.06028	8.5
91.05480	2.8
93.07030	4.9
95.04971	4.4
103.05460	4.0
105.07024	100.0
105.21974	0.6
106.07341	1.2
110.88357	0.5
119.05013	0.7
119.08604	0.9
121.06497	15.1
131.08614	0.8
133.08586	4.3
139.07515	1.6
147.05522	0.5
147.08029	1.2
149.09599	0.7
165.09097	8.4
183.10211	0.6
209.11545	0.8
209.13300	1.9
227.12770	24.0
269.15308	0.6
361.52417	0.5
435.32758	1.0
436.89615	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2507
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
55.05508	19.2
56.84780	3.9
57.03432	11.5
57.07061	11.0
67.05505	43.8
69.07069	25.8
71.05130	8.6
71.08627	4.1
79.05488	15.8
81.07059	40.0
83.08624	18.7
91.05502	8.3
93.07037	16.2
95.08624	38.7
97.10196	6.0
98.98465	67.1
105.07053	5.3
107.08598	10.5
109.10163	18.9
119.08608	4.5
121.10178	8.2
123.11711	8.4
133.10123	5.6
135.11655	6.4
155.01085	8.6
173.02103	10.1
189.16661	4.1
263.23660	13.8
277.17981	15.2
320.13431	3.9
337.27374	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	29.6
57.03432	15.9
57.07077	10.8
58.41673	4.3
65.03941	3.6
67.05507	68.2
69.07072	29.1
70.06599	4.5
71.08642	5.8
71.58355	3.3
71.58823	7.7
76.87637	4.0
79.05483	17.3
81.06649	5.9
81.07066	66.6
83.08628	19.5
91.05465	12.7
93.07030	20.8
93.99787	3.8
95.04990	4.6
95.08608	52.6
97.10159	9.8
98.97858	7.3
98.98473	87.9
102.09106	4.4
103.32703	3.6
105.07051	15.1
107.08595	8.4
109.10169	22.0
109.34205	3.8
116.99518	4.0
119.08572	7.2
121.10132	10.3
123.11673	10.3
133.10152	9.0
135.11732	3.6
136.99945	8.5
147.11771	4.7
155.01022	15.6
162.03133	8.8
173.02077	13.9
175.14714	5.0
184.04440	7.3
193.04945	6.6
245.22726	7.8
256.26114	5.6
263.23703	21.2
299.25977	5.0
320.67780	8.5
337.27350	100.0
385.09006	4.8
416.62344	4.4
435.24634	5.2
435.29910	8.7
435.79968	7.3
458.94104	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	435.234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58466	2.5
54.49976	2.4
55.05502	7.4
56.05027	9.2
56.51502	2.6
57.03439	3.0
58.68454	2.2
60.04540	11.3
61.01133	2.6
65.03934	2.4
66.76877	2.3
67.05512	5.2
68.05019	3.0
69.03432	4.0
69.07069	5.1
69.93790	8.3
70.02946	4.6
70.06593	100.0
71.06915	3.7
72.08154	44.4
72.93783	2.8
73.08493	4.0
74.02435	17.5
74.06072	11.0
76.02285	2.5
77.86347	2.4
78.72504	2.0
79.05494	5.1
81.03425	27.0
81.07053	5.7
82.06598	2.3
83.06049	2.7
83.08627	5.1
84.04513	21.4
84.08148	43.2
85.02884	4.5
86.06068	3.0
86.09703	54.5
87.05589	27.5
87.09999	3.9
88.03983	9.7
91.05484	44.2
92.05805	3.0
93.07043	5.4
95.04963	10.2
95.06020	2.8
96.04488	2.7
98.06074	2.5
98.09678	4.1
98.98441	3.5
101.07117	2.8
102.05547	6.9
104.05331	2.9
104.10750	5.4
105.07036	4.3
107.04960	19.6
109.10192	2.2
110.07160	32.4
112.08759	3.0
116.03458	7.4
116.07100	9.1
119.08512	2.4
120.08113	17.9
120.61150	2.8
121.10155	3.2
126.05514	2.7
127.04054	2.8
129.06715	2.6
129.10243	22.5
130.05017	5.8
130.08661	2.3
131.08504	4.0
133.06081	80.6
133.96542	2.5
136.07573	6.2
144.95793	2.6
157.06146	3.5
183.01489	2.4
184.07370	6.2
187.10806	4.4
193.12244	19.7
217.01569	2.7
221.07686	3.0
231.03192	3.2
249.12656	2.5
255.03233	8.9
262.53116	2.4
267.15875	7.2
273.04166	11.7
315.04980	2.8
328.04514	3.4
424.09900	3.0
435.09106	4.6
435.18399	9.7
447.98816	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
55.05489	2.1
55.88126	0.4
56.96547	2.0
57.03423	0.6
57.07065	0.5
61.02909	1.1
67.05511	2.2
69.03411	0.7
69.07048	1.7
70.06564	1.3
70.41748	0.9
70.42138	1.0
72.08127	1.1
79.05474	2.3
81.03400	1.1
81.07047	2.5
83.08611	1.0
84.08115	0.7
85.02873	0.9
91.05473	6.6
92.05003	5.0
93.05784	1.3
93.07014	2.0
94.06559	1.2
95.04951	1.5
95.08569	1.6
97.02885	1.2
97.06547	0.5
97.10152	0.9
98.97572	1.1
103.05414	0.6
105.07020	1.3
106.06545	2.1
107.04942	8.1
107.08583	1.9
108.05293	1.0
109.10146	1.1
115.05439	2.7
116.98583	1.1
117.05763	2.9
117.06985	4.1
118.06533	70.7
119.07396	1.4
119.08553	0.8
120.08086	2.1
121.10109	0.7
128.06178	0.5
129.07008	0.9
130.06538	2.1
131.08595	0.6
132.08157	2.5
133.10133	0.7
133.20430	0.4
134.09604	0.5
134.99667	0.7
138.07745	0.4
142.06509	4.5
143.07303	5.7
143.08421	0.7
144.04446	1.3
144.08072	24.7
145.06473	0.8
145.08566	0.5
145.10101	0.5
146.05998	100.0
146.99583	0.6
147.06314	1.8
147.08041	0.5
151.07558	0.5
157.10168	0.6
159.08000	0.5
160.07565	1.5
160.11363	0.4
161.22766	0.4
170.06017	8.0
170.99675	0.6
176.07082	0.9
188.07056	76.9
189.00693	0.5
189.07419	1.1
202.15854	5.6
230.15384	65.9
231.15790	1.1
237.02878	1.4
248.16444	94.5
249.16756	1.9
288.15945	2.3
291.16174	0.6
306.16919	0.8
333.08606	0.5
341.06668	1.4
378.46582	0.6
417.21301	1.0
435.22888	31.3
435.28964	3.3
436.23080	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	9.3
55.01875	6.1
55.05293	4.5
55.05505	45.6
56.96531	6.8
59.04997	28.5
67.05492	21.9
69.03423	10.9
69.07065	20.5
69.98560	11.2
69.98953	9.7
70.06582	17.0
71.04971	14.6
73.02904	10.2
74.06083	4.9
79.05486	31.5
81.03395	11.7
81.07053	100.0
82.07382	4.7
83.04944	5.9
83.08615	57.1
84.08139	7.1
85.02888	19.7
85.06533	9.9
86.09679	11.5
89.06008	11.5
91.05472	29.1
93.07038	55.2
95.04942	11.6
95.06052	6.5
95.08603	42.3
97.02892	4.2
97.06501	12.3
97.10192	7.2
98.21447	5.5
99.08092	11.2
100.11278	9.0
101.09615	9.3
105.07026	51.6
107.04279	7.8
107.04951	94.1
107.08586	62.6
108.05236	7.1
109.06448	4.9
109.10149	38.3
117.07020	10.7
119.08582	37.5
121.06475	7.7
121.10126	27.1
123.08090	8.0
123.11691	17.9
125.09618	37.8
127.11179	20.4
131.08521	15.6
133.10110	48.6
135.11668	58.2
136.07573	5.3
141.09087	6.1
143.10660	34.8
145.10103	49.4
147.11713	13.8
149.13242	19.9
151.11192	9.9
159.11674	18.5
161.13237	48.7
164.07089	7.9
173.13234	4.5
175.40918	4.1
179.14288	17.2
191.17955	11.5
201.16393	26.8
204.77557	4.8
205.08995	23.4
219.17409	34.4
222.11647	37.1
237.18390	7.9
272.12994	5.3
286.07904	5.7
315.04993	7.0
341.06888	5.2
376.15366	12.2
390.21457	4.8
434.18332	15.4
434.26031	6.7
435.27191	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	434.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02421	1.3
53.03936	2.2
55.01865	6.5
55.05504	3.4
56.05020	3.6
57.03439	13.8
57.79338	1.7
59.04984	2.6
60.04509	3.1
61.02929	14.2
67.05492	4.2
69.03078	2.5
69.03430	29.9
69.07058	3.4
70.06594	44.4
70.87404	1.3
71.01360	3.6
71.04980	3.1
71.06930	1.7
71.57173	2.0
72.08157	13.8
73.02921	71.5
74.06086	2.5
79.05497	3.8
81.03432	8.3
82.80129	1.5
83.06116	1.6
84.04497	9.5
84.08147	22.3
85.02908	100.0
86.06056	2.5
86.09702	27.1
87.04463	4.6
87.05598	1.3
88.04014	1.7
91.03949	5.0
91.05484	2.8
93.07004	2.4
95.04968	3.0
96.04495	1.4
97.02892	58.6
99.04450	4.3
102.05573	2.6
103.03934	2.3
103.05482	3.0
105.07034	66.5
107.04969	10.5
109.02875	7.3
109.10165	1.7
110.07162	9.0
112.07620	1.6
112.11229	2.4
115.03931	21.2
116.07107	2.1
119.08556	2.4
120.08112	7.2
127.03917	32.3
129.06995	2.6
129.10252	11.2
129.21019	1.2
130.04971	1.7
131.04909	4.1
133.04976	26.1
133.06468	1.6
136.06187	68.1
145.04965	45.5
145.06233	2.1
146.98149	4.5
147.08052	3.6
150.07680	3.8
163.06009	15.1
168.95750	1.3
184.07327	2.9
192.55739	1.4
201.09010	4.1
201.12386	1.6
203.53610	1.5
217.07045	1.9
219.10141	3.1
223.06018	3.5
229.14313	1.5
241.07153	4.4
251.12524	4.8
259.08173	5.6
262.14468	2.1
277.09106	1.9
285.13400	2.3
295.10214	2.2
334.73083	1.5
375.11792	6.4
380.23154	1.6
390.13275	2.9
434.19336	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	434.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43616	0.8
51.94236	1.0
53.03937	1.1
54.27457	0.8
55.01875	1.0
55.05505	2.9
56.05023	0.9
56.96553	1.1
57.03432	10.3
59.04994	1.4
61.02922	2.5
65.58694	0.9
69.03420	2.7
70.06580	11.9
71.04987	73.5
71.59287	1.8
71.59699	1.2
72.08160	3.0
72.93792	1.0
73.02913	3.1
74.71769	0.9
75.04486	6.0
81.03426	2.7
83.04984	8.4
84.04492	2.1
84.08137	3.7
85.02898	100.0
86.03226	1.7
86.06065	2.5
86.09709	4.7
87.04444	5.6
91.05470	28.6
95.04979	1.7
95.06084	1.1
97.02875	6.8
98.06046	1.2
98.97550	1.4
99.04437	1.4
101.06017	0.9
102.05536	1.0
105.07031	2.5
107.04948	13.7
107.08592	0.9
110.06108	1.0
110.07159	2.3
111.04469	4.2
114.17262	0.9
116.98602	1.5
119.04935	6.3
120.08087	7.1
121.06502	1.1
121.10072	1.0
127.03924	5.0
129.05472	41.1
129.10223	1.5
133.06517	2.9
134.97566	0.9
135.55273	0.9
136.07635	0.9
138.09160	1.2
145.04997	3.9
145.06487	1.2
146.08127	1.2
147.04427	12.4
147.06503	21.8
148.04800	1.9
157.06467	1.5
158.97438	1.6
164.09196	4.3
175.07590	1.7
177.00699	1.2
191.25960	1.0
216.97804	1.2
218.97430	2.9
231.03189	1.9
234.98976	8.8
236.98509	1.5
249.04535	0.9
253.00124	1.4
255.08626	1.5
267.31995	0.8
273.09659	1.4
303.05106	1.7
309.11771	1.0
314.68237	1.0
349.05841	2.5
390.39734	1.0
393.96243	0.9
416.22592	1.1
425.14957	1.2
434.24673	1.7
435.18063	2.2
435.23453	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	434.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.16430	0.4
56.05025	0.4
70.06596	6.0
70.17608	2.1
72.08150	1.6
78.58609	0.4
79.05489	1.2
84.04501	1.1
84.08127	2.2
85.02954	0.5
86.09697	3.3
95.04971	1.8
107.04956	100.0
108.05286	1.7
110.07176	1.4
120.08101	1.3
129.10257	0.9
133.06523	0.5
136.06194	3.6
136.07594	1.0
178.92972	0.4
338.85559	0.5
360.13205	0.5
403.20847	0.5
413.59891	0.4
434.24026	0.7
435.16800	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	11.2
55.01874	11.2
56.96555	4.4
57.03432	6.4
61.02914	15.1
67.05489	18.7
69.03423	37.5
69.07066	69.7
70.06596	7.1
70.80128	16.8
71.04980	10.8
72.08138	4.9
73.02898	14.3
79.05505	11.0
81.03412	44.2
81.07061	24.3
85.02900	100.0
87.00822	46.1
87.04508	5.4
90.76255	4.5
91.03944	10.0
91.05467	19.7
92.43394	4.9
93.07047	13.0
95.04964	9.1
95.08636	11.6
97.02891	81.5
99.04441	16.2
105.01852	49.1
105.06997	5.3
107.04939	39.9
107.08595	13.2
109.02876	47.1
109.10149	14.8
115.31045	4.6
121.06485	10.7
121.10125	8.1
123.11697	32.6
127.03067	7.3
127.03916	81.9
129.01830	6.9
129.35770	4.4
143.08553	5.2
145.04950	32.2
145.10127	5.2
147.02766	6.4
147.11685	5.5
148.11227	5.5
151.11169	43.7
154.32005	4.4
159.02831	10.2
160.97328	13.6
230.00621	8.9
231.04988	9.6
262.78992	4.5
383.74734	5.2
399.16571	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.5
55.05506	21.1
56.05030	9.6
57.03430	4.0
58.99577	11.8
59.04993	3.1
60.04505	2.1
61.01133	6.8
65.03930	2.1
66.36491	1.5
67.05499	100.0
69.07062	7.9
70.06591	18.9
71.04985	12.0
71.59612	1.8
72.08141	6.3
74.06057	3.3
76.02205	7.8
76.03994	2.6
79.05488	8.6
81.03413	4.9
81.07043	20.0
82.06567	2.5
83.04974	3.7
83.06098	4.7
83.08610	27.9
84.04501	27.0
84.08151	13.9
85.01120	3.0
85.02893	6.6
85.06549	3.8
86.06079	1.9
86.09713	13.1
86.99059	6.7
87.02674	1.9
91.05465	7.8
93.07021	3.4
94.83894	1.6
95.04959	3.7
95.08609	3.8
98.09645	2.1
98.97601	2.5
99.02717	3.4
100.07584	2.5
100.11247	7.5
104.05303	10.3
105.07006	8.2
107.04947	41.0
107.08601	16.0
108.05267	8.0
109.10151	85.0
110.07143	3.8
110.99528	2.0
116.01665	35.9
116.07079	2.2
117.61880	1.5
120.08077	8.5
121.06492	3.0
125.04257	2.0
127.03995	2.5
127.11188	9.2
128.07191	1.8
129.06548	9.8
129.10226	9.9
130.05042	8.1
130.06509	6.2
133.10129	12.8
137.05981	2.7
141.07323	15.4
142.03244	4.3
144.01132	20.4
145.06058	6.0
147.04500	2.0
149.07454	1.8
151.11165	6.2
158.06015	5.6
159.06352	4.6
162.02199	97.5
167.08929	3.3
171.27144	2.0
173.09787	1.8
175.08670	7.9
176.09055	3.8
177.03316	1.8
179.04877	3.3
182.15413	5.1
185.09908	9.0
191.08159	2.8
192.08365	2.0
202.12610	2.4
209.16537	2.4
210.14900	3.4
214.15627	2.0
221.09200	9.0
222.09517	5.9
228.17233	2.1
245.05833	2.6
246.14957	6.5
254.13489	4.9
260.10635	2.8
288.12622	38.9
305.15253	16.1
328.13589	5.2
359.16364	22.9
361.70721	2.0
381.13068	1.9
434.19565	4.1
434.31763	3.2
435.33170	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	434.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.5
55.05510	7.4
56.05034	1.6
57.03426	3.7
57.07062	1.3
58.99581	14.6
60.04519	1.0
61.01147	3.1
62.26096	1.0
62.99065	2.2
67.05505	16.1
68.05006	1.4
69.07044	2.6
70.06594	10.1
71.04987	1.7
71.08635	11.5
71.19785	1.8
72.08147	3.2
76.02229	61.9
76.03989	3.0
77.00631	1.8
79.05499	5.0
81.07056	2.1
82.41772	1.1
83.06092	3.9
83.08635	1.9
84.04507	17.7
84.08147	6.0
85.06535	1.2
86.06073	1.3
86.09711	7.1
86.99042	2.2
88.02200	2.4
89.00613	11.7
91.05451	1.8
93.07032	1.1
95.06115	1.1
95.08607	1.2
97.10172	7.4
99.02722	1.3
99.05567	1.6
99.08092	13.9
102.05492	1.1
105.07037	2.0
107.04955	9.7
107.08589	3.6
108.05247	1.2
109.10154	13.4
110.07153	3.1
111.44558	1.1
116.01677	13.0
116.71429	1.0
120.08105	3.3
126.12766	3.2
127.11198	25.7
129.06555	5.9
129.10242	1.7
130.04970	6.1
133.06493	1.6
142.03229	3.8
144.01170	5.4
145.06137	1.2
157.03339	1.1
159.08394	100.0
162.02208	25.3
167.08821	2.0
179.04861	40.3
184.07307	2.4
184.11539	4.5
187.05348	3.1
202.12621	24.0
233.05956	6.4
245.05901	1.9
287.14243	67.8
288.12640	3.6
305.15341	6.4
308.09103	1.4
331.65533	1.2
341.15280	1.3
359.16397	16.8
395.42209	1.1
406.16122	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.3
53.88925	4.2
55.01860	10.1
55.05506	33.7
56.05036	7.2
56.49777	3.3
57.03442	33.2
61.02928	25.4
61.46239	3.5
67.05502	50.9
69.03426	50.8
69.07069	32.1
70.06590	23.2
71.04979	16.8
72.08163	8.2
73.02914	19.1
79.05491	32.8
79.05914	5.0
81.03412	26.0
81.06584	5.9
81.07054	91.2
83.04975	4.6
83.08617	26.3
84.04502	5.7
84.08132	15.8
85.02903	100.0
85.06540	8.7
86.00641	13.6
86.09692	14.5
87.04456	10.8
90.30328	3.9
91.03952	13.6
91.05486	32.6
93.07040	29.7
94.52458	3.6
95.04961	9.0
95.08607	97.1
97.02892	39.6
97.06517	16.2
97.10164	12.7
99.04457	14.0
99.08085	4.7
101.02357	5.2
105.07024	30.0
107.04963	39.8
107.08594	11.3
107.32587	3.8
109.02882	17.8
109.10146	11.6
110.07159	4.8
111.08129	3.6
117.05475	4.9
119.04927	4.3
119.08564	26.3
120.08096	9.0
120.96685	7.1
121.02882	7.4
121.10117	14.9
123.08060	5.0
125.01532	4.8
127.01247	58.3
127.03912	39.1
129.05493	5.0
129.10249	4.6
131.04951	6.2
133.06444	4.9
133.10133	21.6
135.11681	12.2
137.09627	4.8
137.13272	6.6
144.08046	5.6
145.04924	11.2
146.05989	4.4
147.07945	4.7
149.05968	5.3
161.13255	59.0
168.08093	6.5
179.14310	43.1
184.07362	7.7
188.08786	3.9
195.00214	8.2
197.15479	4.9
208.07362	4.1
213.00133	4.6
252.14104	6.9
253.17944	13.0
270.15112	9.5
271.19025	87.8
287.05200	4.4
287.11841	4.1
289.13126	3.7
291.10239	5.4
293.17282	11.1
294.15414	6.5
311.18137	10.3
330.17273	10.9
342.20670	8.0
370.84399	4.0
373.13519	22.1
373.17981	17.1
391.14856	81.4
417.94754	3.6
433.15482	4.1
433.19882	39.0
433.24768	7.9
434.19144	24.4
434.24194	3.7
445.19614	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.8
55.01865	7.5
55.05515	35.7
55.23634	3.1
57.03445	33.4
57.38014	2.9
61.02644	4.0
61.02930	57.7
67.05507	50.1
67.32368	2.4
69.03440	32.1
69.07063	25.4
70.06606	14.9
70.06913	2.5
71.01365	3.8
71.04991	13.4
72.08154	13.8
73.02921	35.7
73.06512	3.1
78.38946	2.9
79.05495	34.0
80.91838	2.9
81.03416	20.7
81.07059	94.1
83.04984	9.3
83.08622	25.2
84.08149	10.5
85.02908	64.1
85.06537	11.7
85.44209	2.8
86.00636	10.3
86.09693	11.0
87.04462	4.8
91.03959	43.9
91.05479	36.2
93.07064	24.4
95.04987	7.7
95.08608	100.0
97.02897	50.9
97.06541	21.8
97.10164	6.9
98.20751	5.2
98.98474	4.0
99.04450	11.5
99.08082	8.3
100.11256	7.4
101.02385	8.8
102.05489	2.8
103.03931	9.8
105.07028	34.4
107.04965	51.3
107.08575	12.0
109.02872	12.7
109.06522	6.1
109.10155	12.0
110.07156	4.1
111.08081	7.6
115.03931	8.6
117.05428	3.6
117.07043	5.1
119.08585	34.4
120.08073	5.3
120.96628	10.4
121.06527	3.4
121.10155	11.0
123.08049	7.8
125.09630	2.9
127.03909	24.7
129.05460	7.8
129.06902	4.8
129.10258	5.0
129.26990	2.8
131.04956	4.1
131.08598	5.8
133.06487	5.9
133.10110	25.0
135.11687	11.1
137.13237	6.6
145.04947	11.6
145.06459	3.5
146.06038	6.5
147.60475	2.5
149.13266	3.4
159.06508	3.9
161.13266	60.4
163.03958	4.2
164.00832	11.6
165.06973	3.3
179.14322	47.6
182.15443	4.3
183.06480	4.2
184.07381	3.8
188.07069	6.2
197.15367	4.0
201.07585	6.9
208.61565	2.8
210.14847	3.3
223.07521	4.1
225.09116	3.4
239.07014	6.0
251.07048	10.5
253.18030	13.7
270.15167	7.7
271.19070	99.2
272.12955	3.5
285.10114	6.2
293.17456	15.7
330.17316	18.4
359.73355	3.2
364.85928	3.1
373.13461	3.4
373.17880	10.1
391.14771	23.0
395.82620	3.4
415.14905	3.6
418.58951	3.4
432.76450	18.5
433.20432	10.6
434.19165	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	433.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.1
55.01864	7.0
55.05313	2.8
55.05516	30.4
57.03441	34.3
60.67178	2.2
60.99517	2.1
61.02925	73.7
67.05176	3.8
67.05503	46.2
69.03080	3.1
69.03429	40.8
69.07069	25.5
70.06583	10.0
70.50571	9.3
71.01353	4.3
71.04990	19.4
72.58007	2.3
73.02917	36.5
74.25227	2.4
75.04459	2.8
78.06145	2.2
79.05494	26.8
81.03423	21.5
81.07055	100.0
83.04981	8.1
83.08619	21.2
84.04498	2.6
84.08136	5.6
85.02904	82.4
85.06528	11.9
86.09715	2.9
87.04453	5.3
91.03950	53.5
91.04521	2.7
91.05473	30.8
93.07048	26.2
93.34433	2.2
95.04961	6.6
95.08604	99.6
97.02886	65.8
97.06524	15.1
97.10166	5.8
99.04467	12.9
99.08089	7.2
101.02399	15.6
103.03925	7.7
105.07032	27.4
107.04955	12.8
107.08598	10.3
109.02868	15.6
109.06468	2.9
109.10157	13.1
111.08076	5.2
115.03927	5.1
117.07040	2.9
119.08579	36.7
121.10147	12.4
123.08011	4.4
127.03921	25.5
129.05467	10.1
133.10130	25.6
135.11708	13.1
136.94330	2.4
137.09590	4.4
137.13255	5.5
145.04968	10.0
149.05988	4.1
149.13272	4.6
159.06563	4.7
161.13254	64.9
179.14296	45.8
183.06581	3.3
197.15393	3.9
201.07629	4.0
209.15321	2.6
241.53061	2.2
243.08656	2.6
253.18083	8.9
271.19034	70.6
309.92780	2.7
433.24078	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	433.2349
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
55.05509	17.3
57.03425	13.4
67.05505	73.6
68.48246	5.7
69.07068	14.4
69.78973	34.0
79.05490	42.6
81.07059	75.0
83.08635	9.4
91.05490	34.0
93.07044	63.3
95.04924	6.6
95.08614	67.0
95.59610	6.4
98.98466	100.0
99.08146	6.1
105.07034	23.9
105.40629	6.0
107.08593	41.8
109.10152	18.6
117.07014	14.7
119.08593	19.2
121.10130	34.7
123.11696	14.4
131.08559	30.8
133.10135	14.2
135.11691	11.8
145.10114	17.9
147.11690	14.2
149.13269	20.3
155.01060	16.8
159.11658	10.2
161.13271	7.6
163.14882	8.2
173.02217	10.3
173.13222	13.4
177.16385	7.0
187.14835	5.8
243.21088	29.7
261.22134	59.4
282.35181	5.6
315.19373	6.1
317.24847	15.1
335.25763	93.9
335.29453	10.6
362.48260	6.1
454.44687	6.7
459.13187	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	433.235
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
54.18832	2.6
55.05510	11.2
57.03438	13.5
57.07066	2.2
63.03885	3.1
67.05510	53.6
69.07082	12.0
69.86295	11.5
79.05495	36.3
81.07063	64.5
83.08622	5.0
84.57326	2.3
84.57845	2.5
85.06556	2.5
91.05480	17.6
93.07047	44.4
95.05006	4.9
95.08606	47.8
97.06516	2.8
97.10168	2.5
98.98469	100.0
99.01514	2.7
105.07005	15.0
107.08604	22.9
109.10155	20.7
109.10793	3.2
116.99520	2.8
117.06987	4.7
117.14139	2.3
119.08585	11.1
121.10159	21.0
123.11710	12.7
131.08566	10.2
133.10164	12.7
135.11711	16.2
137.13268	4.9
145.10127	10.3
147.11700	7.4
149.13304	13.0
153.12767	2.7
155.01050	8.2
159.11691	8.0
161.13307	7.8
163.14828	6.7
173.02097	18.4
173.13277	7.4
173.19101	2.6
187.14804	6.0
219.04669	2.5
236.51978	2.4
243.21107	17.4
261.22189	53.5
267.44901	2.8
317.24664	8.7
335.25827	81.4
336.26163	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	433.235
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.03928	3.0
55.01863	3.1
55.05505	14.2
57.03436	13.2
57.07076	42.4
67.05501	57.6
69.02100	2.2
69.07063	54.2
69.60706	15.0
70.04070	10.4
70.07400	4.2
71.04985	2.2
79.05488	35.7
81.03397	2.4
81.07055	65.0
83.08611	6.5
88.23383	1.8
91.05471	20.4
93.07044	41.9
95.04948	3.2
95.08601	39.7
97.06496	3.4
97.10166	3.8
98.20737	3.8
98.98457	79.9
98.99960	2.3
101.09655	6.9
102.10004	2.0
103.05454	2.4
105.06380	3.2
105.07027	40.7
107.04946	3.6
107.08572	31.7
109.10151	21.4
110.68808	2.0
116.99517	3.4
117.06992	7.6
119.08565	16.2
121.10138	21.2
123.04281	2.5
123.11694	10.4
125.01497	10.4
126.99453	5.5
129.00980	4.0
129.09087	6.1
130.07712	2.6
131.08537	11.6
133.10120	9.4
135.08095	2.5
135.11685	16.1
136.99985	5.2
137.13242	3.1
138.99493	5.1
139.00536	4.8
139.03065	4.3
140.01059	2.7
141.01083	2.8
145.10141	11.0
147.04443	10.4
147.11674	9.6
149.13190	10.1
153.01048	2.5
155.01082	12.6
158.07202	3.2
159.08025	3.8
159.11668	7.2
161.13278	6.8
163.14790	9.0
168.05710	2.7
173.02122	14.1
173.13243	4.0
175.14790	2.7
177.16382	2.9
181.00468	74.5
182.01280	2.9
187.14828	4.9
208.02702	9.8
209.07291	20.9
215.17787	2.2
222.04132	2.9
233.22610	2.2
237.06706	4.5
243.21114	11.9
258.99481	4.0
261.22144	44.2
266.99710	7.2
277.00565	21.7
278.01154	2.2
287.99625	3.0
291.02139	12.9
292.02759	6.9
297.24216	5.3
309.00650	15.2
317.24744	10.0
335.25790	80.9
336.25974	3.3
351.12881	5.2
364.15964	9.0
369.14929	2.7
387.15070	12.6
394.05145	2.4
405.16153	100.0
406.16467	3.9
410.16470	3.8
423.17282	32.0
428.17111	16.8
433.23141	3.5
433.30234	2.5
434.10352	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	433.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11795	2.1
55.05511	4.9
57.03419	2.8
57.07057	12.0
67.05479	7.8
69.07050	7.9
71.08618	8.5
71.59617	4.6
73.49625	2.4
79.05491	3.3
81.07037	7.6
83.08600	4.4
85.10196	3.4
88.58759	3.0
93.07066	2.9
95.08601	9.6
97.10183	2.8
98.98462	9.1
105.07017	3.8
107.08594	3.1
109.10130	4.8
113.00018	44.7
114.29774	2.4
120.96645	10.3
121.10139	3.8
123.11703	3.0
135.11649	4.5
169.02609	42.3
176.99355	2.6
195.00346	10.3
261.22156	4.2
277.83960	2.5
313.27383	32.7
335.25842	5.8
415.22412	10.4
433.23291	100.0
434.23584	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.0
56.05033	1.8
56.96561	1.5
57.03432	1.3
59.30370	1.1
67.05490	3.7
69.03432	2.8
69.07063	3.9
69.64831	8.8
70.06591	4.2
79.05498	4.1
81.03424	6.3
81.07058	4.1
83.04982	3.1
83.08612	2.1
85.02918	6.2
86.09705	2.3
87.00827	2.5
91.05493	4.7
93.07040	3.6
95.04955	3.2
95.08607	3.3
97.02881	2.0
97.06525	2.9
97.27325	1.2
98.20720	1.7
105.01837	1.9
105.07043	2.9
107.04949	11.2
107.08573	2.4
109.10158	1.8
115.05412	2.1
117.06990	2.1
118.06540	10.8
119.08587	2.7
120.08054	1.4
121.02814	1.5
121.10146	4.9
123.04444	2.7
127.03936	2.5
129.07002	3.1
130.06541	9.6
132.08084	11.3
133.10095	1.6
143.06328	1.4
143.07314	6.6
143.08421	2.0
144.08051	10.1
146.06006	24.6
154.06512	21.7
156.08086	18.3
158.09645	100.0
166.12320	3.2
167.07320	2.2
167.10667	3.1
168.08076	61.7
169.08788	2.5
170.05980	1.7
170.09637	7.6
172.07585	2.0
184.13408	2.2
188.07076	29.7
188.08759	1.9
193.12221	2.7
194.11760	18.8
196.07661	3.5
202.14453	1.4
205.09778	4.2
211.13284	2.7
212.12794	21.2
214.08630	35.0
240.12245	2.7
258.13379	17.1
267.08984	4.3
285.10007	8.7
294.11417	2.2
295.60431	1.4
299.05515	2.6
310.10864	1.9
342.20706	2.1
343.20016	2.6
369.21732	2.2
371.19458	1.9
389.20715	3.8
415.10492	1.8
415.22305	21.1
416.20920	1.7
422.15903	1.4
433.11084	1.5
433.20193	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	8.3
55.01863	14.9
55.05513	28.7
57.03428	12.1
57.07058	4.8
61.02903	11.5
65.03927	6.4
67.05496	55.1
68.99773	9.2
69.03433	39.4
69.07056	32.5
70.06579	9.4
71.04978	17.2
71.12037	8.7
73.02889	10.2
78.66968	4.0
79.05489	51.3
81.03413	41.2
81.07049	79.4
83.04974	29.4
83.08603	15.1
85.02901	36.4
85.06530	10.6
86.09711	5.5
87.00826	25.6
91.05470	87.8
93.07040	85.1
95.04977	42.8
95.08596	65.7
97.02898	20.9
97.06512	18.9
97.10167	10.1
99.04411	5.7
103.03931	5.6
103.05437	6.4
105.01847	6.1
105.07024	92.9
107.04957	27.0
107.08591	85.8
109.02872	11.6
109.06498	23.0
109.10159	43.0
111.04425	14.4
111.08081	11.0
113.05877	4.6
115.03880	8.3
117.01847	9.1
117.07025	38.4
119.08572	100.0
121.06490	41.8
121.10130	58.5
123.04449	6.0
123.08070	20.5
123.11687	11.3
125.09626	22.1
127.03886	10.1
128.06187	12.1
129.01848	9.2
129.05458	4.8
129.06960	22.9
130.07796	5.6
131.04881	8.8
131.08551	63.1
133.06451	16.1
133.10135	49.0
135.04449	7.7
135.08052	21.2
135.11676	15.3
137.09590	8.1
141.06982	15.4
142.07825	10.6
143.08562	49.1
144.09334	10.8
145.06448	18.0
145.10107	66.4
147.08026	20.0
147.11674	63.4
149.09587	19.7
154.07782	5.8
155.08542	20.3
156.09265	12.3
157.10129	52.9
159.02861	6.8
159.08023	20.2
159.11681	53.8
161.09625	12.6
161.13234	16.6
163.07608	6.6
163.11150	18.7
165.06998	5.7
165.12822	7.9
167.08543	7.2
168.09406	9.1
169.10043	24.7
171.08023	9.8
171.11642	44.5
173.09612	17.8
173.13208	26.5
175.11174	16.7
175.14725	6.5
177.09065	12.1
179.08530	10.4
181.10098	12.5
183.08147	6.4
183.11670	29.0
185.09558	10.9
185.13220	20.3
187.11127	22.8
187.14825	10.5
189.09094	5.3
189.11198	8.2
189.12740	14.2
191.10663	9.6
193.10080	6.5
194.10866	6.9
195.11670	17.7
197.09627	8.4
197.13211	12.8
199.11185	11.9
199.14786	13.2
201.12744	13.4
201.16353	29.5
203.17961	9.9
209.13264	10.2
211.11229	8.7
211.14810	15.9
212.11737	5.3
213.12755	9.9
213.16370	26.9
215.17921	16.8
217.15834	14.2
219.17459	6.1
223.14806	7.4
225.12766	6.0
225.16331	18.2
227.14403	7.8
227.17961	19.3
229.15894	6.5
235.14920	6.0
237.12715	7.4
237.16319	8.4
239.17934	11.5
241.15948	6.9
243.13803	7.8
243.17450	19.9
251.17996	6.4
255.17451	9.8
257.19003	16.0
269.18976	15.4
283.20526	7.7
287.20111	5.3
293.18936	21.8
295.11780	6.7
304.22632	7.0
311.19971	65.0
323.20172	10.4
329.21078	47.3
341.21063	44.9
342.21878	4.8
347.21994	19.1
415.20398	30.9
433.21576	83.5
433.26230	16.8
434.22153	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	433.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14737	0.2
51.02377	0.3
51.04150	0.3
53.03941	0.9
55.90921	0.3
61.02909	0.2
68.09985	0.2
69.03423	0.4
69.63949	1.8
69.68181	0.2
70.06597	0.5
72.08125	0.3
77.03917	0.5
79.05492	1.3
81.03399	0.5
82.02901	0.4
83.94681	0.2
84.04488	0.3
84.08128	0.3
85.02901	0.3
86.09686	0.3
94.06571	1.4
95.04948	2.2
98.06050	0.4
98.20841	0.6
105.04519	0.4
107.04946	100.0
108.05267	1.1
118.06493	0.6
120.08086	0.4
121.06499	0.6
122.06028	0.5
130.06512	30.9
131.06834	0.7
132.04442	9.0
134.06021	1.5
142.06494	0.7
144.08080	0.4
146.05994	1.9
147.09169	0.6
148.07574	2.6
157.07617	8.6
158.06000	26.1
159.06306	0.3
159.09137	2.8
175.08655	44.0
176.07065	0.9
176.09032	0.7
185.07036	0.5
186.05496	1.8
187.08633	1.4
188.07019	1.9
191.08063	0.4
203.06361	0.4
203.08154	6.6
204.06534	3.0
221.09190	58.7
222.09485	1.3
233.09207	0.7
236.10648	2.5
240.10196	1.1
265.13290	1.0
281.12799	3.3
287.05511	0.4
294.11209	0.7
309.12231	1.5
327.13370	21.2
328.13486	0.8
333.76804	0.2
342.14560	0.4
349.01508	0.3
415.16653	1.2
416.23499	0.2
433.17694	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.7
51.86134	0.2
53.03940	0.8
55.01892	0.3
56.33315	0.2
69.68416	1.1
69.68836	0.7
70.06585	0.7
74.02463	0.4
77.03928	0.4
79.05486	1.6
82.02959	0.3
94.06554	1.2
95.04945	2.0
105.04455	0.5
106.06513	0.3
107.04943	100.0
108.05262	0.9
112.71739	0.3
115.05456	0.3
118.06510	1.1
120.08113	0.4
121.06459	0.5
122.06009	0.3
130.06514	31.1
131.06877	0.5
132.04442	7.8
132.08086	0.9
134.06000	2.3
136.07616	0.3
136.45035	0.3
142.06506	0.7
144.08058	0.8
144.66530	0.2
146.05989	3.6
148.07565	3.4
157.07600	16.7
158.05997	23.5
159.09169	3.8
160.07631	0.3
170.06158	0.4
175.08656	39.5
176.07144	0.3
176.09006	0.4
185.07104	1.1
186.05424	1.6
187.08556	1.2
188.07068	4.5
203.08134	25.7
204.06557	3.6
204.08322	0.4
214.56837	0.3
216.06735	0.3
221.09187	52.3
222.09430	1.1
233.09019	0.4
236.10698	4.3
240.10120	0.6
265.13327	1.6
268.75241	0.3
271.05685	0.3
281.12863	2.9
286.40033	0.3
294.11188	1.5
306.97394	0.2
309.12274	3.9
327.13364	15.9
328.13623	0.3
342.14862	0.5
389.20889	0.4
402.30978	0.3
415.16556	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1344
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
51.20369	0.2
53.03933	0.8
55.01875	0.3
55.05494	0.2
55.93512	0.4
56.05030	0.3
60.04512	0.8
69.03421	2.3
69.77061	1.3
70.06590	3.3
71.04980	0.7
71.06897	0.3
72.08146	2.1
73.02898	0.5
74.06083	0.3
81.03413	3.0
82.06580	0.2
83.08583	0.4
84.04506	0.6
84.08121	1.0
85.02896	5.8
86.09703	2.3
87.04454	0.4
91.05477	0.4
95.04968	0.2
95.06091	0.2
97.02884	3.9
98.06008	0.2
98.21227	0.7
99.04448	3.8
102.05538	0.5
103.03932	4.5
107.04956	2.0
107.08379	0.2
109.02871	3.2
109.06599	0.2
110.07159	0.3
116.07101	0.3
119.04916	0.3
120.08112	0.4
123.11693	0.2
127.03906	100.0
128.04251	1.0
129.10214	0.8
130.04982	0.2
131.08107	0.4
141.10234	0.3
145.04956	3.8
147.04393	0.9
154.51598	0.3
163.06078	0.6
187.06015	0.7
210.55420	0.3
214.54169	0.2
218.97426	0.3
221.07678	0.7
231.17203	0.2
236.98482	0.4
263.38791	0.2
288.97952	0.7
346.17032	0.2
352.30185	0.2
389.18048	0.3
433.16632	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.9
56.05015	0.8
59.04996	4.0
65.03931	0.4
67.05508	2.1
69.03421	4.7
69.07080	0.5
70.06592	5.0
71.04989	0.8
71.60551	0.5
72.08154	1.5
72.93784	0.4
73.02915	6.1
73.06554	3.0
79.05463	0.8
81.03420	0.7
81.07038	0.7
83.04989	0.6
84.04507	0.9
84.08137	2.2
84.65218	0.4
85.02895	2.0
86.06065	1.4
86.09686	2.9
87.04461	100.0
89.06024	15.0
89.06491	0.3
90.94810	0.7
91.03974	0.7
91.05452	1.0
93.07047	0.6
95.04960	3.6
95.06101	0.7
95.08587	0.7
97.02922	0.7
97.06528	1.3
98.06059	1.0
99.04446	0.7
101.66315	0.5
103.03908	0.6
105.07055	0.5
107.04956	5.9
107.07085	0.6
108.04471	0.5
108.05304	0.8
110.07147	0.9
113.05994	10.4
114.05507	0.4
114.09143	0.5
116.07060	0.5
117.09136	2.4
118.08649	0.5
120.08088	0.9
121.06512	1.0
130.05013	0.8
130.06511	0.5
131.07031	11.5
132.95819	0.6
133.08603	8.5
137.06004	0.5
150.96869	0.5
157.08658	3.2
157.09872	0.7
158.97362	2.3
162.96831	0.6
175.09685	9.1
176.98549	0.8
177.11227	1.8
182.15414	0.4
186.96953	0.7
188.07216	0.6
201.11221	1.2
216.97986	0.7
219.12241	2.9
221.09306	0.5
221.13869	0.5
226.68309	0.5
234.99010	3.5
239.14986	0.6
245.13966	1.7
263.14908	2.0
269.10626	0.5
289.16409	0.6
305.06992	1.1
323.07785	2.8
329.20279	0.9
342.20877	0.6
351.20102	3.3
368.22617	0.5
391.06918	0.9
432.19547	8.4
432.27966	0.8
432.35236	0.6
434.80869	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.3
56.05024	1.5
60.04519	1.9
66.46723	0.7
68.05044	0.7
69.07057	1.0
69.64265	4.0
70.06594	24.8
72.08154	10.0
73.02847	0.7
73.06545	1.6
74.06066	1.0
76.02229	1.1
81.03439	1.2
81.07047	0.7
83.06090	1.3
84.04509	7.1
84.08145	10.4
86.09705	18.0
87.04464	5.6
87.05602	1.8
87.10021	1.7
88.04000	1.0
89.06034	100.0
91.07605	1.2
92.17872	0.8
93.07039	0.9
95.04966	1.2
98.06026	1.0
98.09708	1.0
98.98418	0.8
102.05544	2.1
104.10797	0.9
107.04963	6.6
107.07066	4.6
108.05289	1.7
110.07141	4.6
115.08693	1.0
116.07108	3.9
120.08100	3.9
129.10245	5.1
130.04994	0.8
130.08594	2.6
131.07051	2.2
133.06355	2.3
133.08604	61.4
136.07581	1.0
149.05957	0.8
156.04800	1.7
159.09187	1.0
171.07704	0.9
175.09627	1.3
177.11241	21.3
183.11243	0.8
184.07344	1.7
202.05301	1.7
219.07982	1.3
220.08430	1.4
221.13844	2.3
235.00935	0.7
239.14896	1.5
283.17526	1.3
327.20319	1.6
371.22589	2.3
415.25363	9.1
432.19037	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.4
53.03941	5.3
55.01868	4.4
55.05509	8.4
56.02506	1.1
56.96566	1.7
57.03425	3.2
57.07061	2.6
61.02911	4.3
65.03921	2.2
67.05502	10.8
68.99778	2.0
69.03423	11.9
69.07063	15.7
70.06586	1.2
71.04974	1.3
71.59570	1.3
71.59962	1.2
73.02905	5.2
79.05485	28.9
80.05032	1.2
81.03410	12.8
81.07051	42.0
83.08615	4.0
84.08117	1.3
85.02898	39.0
86.09701	1.5
87.00829	12.7
91.03939	2.3
91.05473	24.8
93.07037	100.0
94.07394	1.7
95.04958	11.0
95.08587	10.4
97.02889	13.6
99.04452	5.5
103.05486	1.1
105.01854	19.2
105.07021	12.4
107.04942	15.4
107.08587	93.3
108.04478	1.9
108.08857	1.4
109.02882	11.9
109.06512	4.7
109.10126	3.3
110.07195	1.5
114.03843	1.1
117.01855	1.2
117.06988	1.3
119.06019	1.2
119.08570	4.4
121.06487	4.2
121.10133	45.4
123.04441	1.0
123.08078	2.2
126.05485	1.1
127.03905	28.0
129.01820	1.8
131.08533	1.6
133.10152	1.4
145.04941	14.1
147.11726	1.4
149.13246	65.5
150.13536	2.0
158.97621	2.2
159.02878	7.2
159.11684	1.8
161.13472	1.1
184.07387	1.9
189.03876	1.5
203.17310	1.3
228.00977	1.3
231.04883	6.6
248.07640	2.0
297.10596	1.3
432.31442	7.7
441.62213	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65237	3.6
51.80166	3.4
55.01874	6.2
55.05507	14.4
57.03423	7.2
62.06093	66.6
63.06743	3.8
67.05496	22.6
69.07059	9.5
69.46844	32.2
70.06582	15.7
79.05491	42.2
81.07056	27.9
83.04996	5.8
83.08610	7.4
84.08145	9.8
86.09723	4.7
91.05468	57.6
93.07042	40.8
95.04973	7.0
95.08586	22.1
97.06539	5.8
98.98476	12.4
105.07040	42.7
107.04942	15.1
107.08582	23.5
107.46422	3.7
109.10149	8.6
117.07050	18.5
119.08588	47.7
119.69782	5.6
120.08098	5.4
121.06549	3.8
121.10143	16.0
128.06233	5.6
129.05475	9.7
129.06976	12.0
131.08537	22.2
133.10133	42.0
135.11696	7.5
143.08551	14.0
145.10133	19.7
147.08099	4.2
147.11710	7.2
157.10097	20.1
159.11707	7.1
161.09810	3.8
171.11743	8.8
173.02083	4.8
173.13266	9.0
175.14830	8.0
189.16394	12.4
199.14825	50.3
201.16483	4.9
213.96909	4.0
217.15865	61.2
260.20111	12.3
291.19553	100.0
371.16199	11.1
384.92841	4.3
414.20340	6.4
432.21277	8.6
433.15182	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	432.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27213	0.8
53.03951	1.9
55.01866	3.1
55.05513	7.7
56.96563	0.9
57.03190	1.2
57.03438	11.1
57.07050	0.8
62.06075	1.4
65.03922	1.6
67.05177	1.2
67.05507	17.6
69.07072	4.7
69.37805	2.6
69.38232	4.3
70.06593	3.8
71.04993	2.0
73.02897	1.4
79.05493	31.9
81.03432	1.1
81.07059	17.4
83.04982	1.6
83.08601	2.8
84.04482	0.8
84.08147	1.0
85.06563	1.1
86.09692	1.3
91.05479	35.3
93.07044	25.8
95.04984	6.1
95.08612	15.0
98.98470	1.4
99.08097	1.1
100.94576	0.8
103.03914	1.6
103.05473	1.3
105.04533	0.8
105.07029	24.7
107.04964	3.5
107.08597	16.5
109.06517	1.8
109.10180	4.2
111.08060	1.0
115.05421	1.0
117.07010	6.4
119.08578	19.5
121.06492	1.6
121.10155	7.3
123.08068	1.4
128.06226	2.1
129.05501	7.9
129.06996	6.0
131.08577	12.2
133.06444	1.0
133.10123	13.6
135.08026	1.8
135.11729	1.9
140.56497	0.8
142.07738	1.1
143.08568	6.1
145.10112	4.2
147.08064	1.3
147.11679	2.2
157.10107	6.5
159.11731	1.6
161.09587	1.1
161.13219	1.1
171.11705	2.4
173.13205	1.4
175.14844	4.0
181.49611	0.7
189.16431	2.6
196.10973	1.9
198.05307	0.9
199.14841	15.6
201.16397	3.5
203.08205	1.1
209.11589	0.9
210.12407	2.2
216.06349	0.9
217.15878	6.1
260.20197	1.7
291.19537	100.0
292.19867	1.2
345.63593	0.8
445.70490	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
60.04518	0.9
64.85735	0.5
69.03427	1.0
69.68308	3.6
70.06603	3.2
70.06927	0.6
71.05009	0.5
72.08150	1.9
78.24924	0.6
79.05471	1.5
84.04473	0.5
84.08139	1.4
85.02877	1.6
86.09710	1.4
95.04961	1.9
98.20749	1.0
103.74861	0.4
107.04952	100.0
108.05276	1.3
109.02889	0.6
110.07178	1.0
112.08724	0.6
123.04421	0.5
127.03922	8.1
145.05014	0.8
170.06044	0.6
192.08704	3.0
195.15149	0.6
198.05440	2.8
216.06602	2.2
234.07697	2.8
252.08717	1.3
270.09805	0.8
432.27130	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.3
53.41631	0.7
55.01870	1.0
55.05507	1.6
56.05033	2.4
58.06572	1.0
58.29267	0.7
60.04513	3.3
60.09824	0.8
67.05485	0.8
68.05035	5.9
69.03410	3.8
69.07082	1.0
69.30848	1.9
69.31248	7.2
70.06589	18.0
71.06915	1.0
72.08152	14.0
74.06071	1.5
79.05495	2.9
80.05002	2.2
81.03412	2.1
84.04494	5.2
84.08143	11.5
85.02901	1.7
85.07664	1.8
86.09708	17.6
87.05591	2.1
87.10043	1.2
88.03959	0.9
91.05426	4.0
93.07035	2.6
95.04967	2.7
95.06097	1.1
98.06062	10.5
98.98461	1.3
99.06322	0.8
102.05540	1.1
103.05461	3.1
105.07023	0.9
107.04955	100.0
108.05299	2.6
110.07172	4.2
115.05475	1.0
116.07088	5.6
117.07037	2.8
119.04935	1.9
120.08100	2.2
121.06469	3.9
128.06206	1.9
129.07050	6.5
129.10228	6.0
130.08618	0.8
131.04929	13.9
131.08182	4.1
132.05722	6.2
133.06436	1.7
134.08128	93.7
136.07617	1.2
143.11781	1.1
145.06499	10.0
147.07803	1.7
149.05971	3.7
157.06500	13.5
163.07568	5.9
173.12863	1.3
175.07535	7.9
187.07597	1.5
192.08643	1.3
216.06561	1.1
220.11943	0.8
225.09143	1.0
229.15302	0.8
234.07626	0.8
240.13388	1.0
251.10663	4.7
263.10770	1.3
432.20148	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	432.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.4
56.05020	2.7
60.04511	3.7
68.05012	2.7
69.03432	1.6
70.06252	1.5
70.06596	19.5
70.71434	0.8
71.06907	0.9
71.33839	2.4
72.08157	10.6
74.06072	1.8
79.05483	1.3
80.05019	1.1
81.03432	1.1
84.04510	4.3
84.08144	13.1
85.02888	1.2
86.06066	1.1
86.09705	14.0
87.05591	1.0
87.10042	0.9
91.05472	1.8
93.07041	1.6
95.04973	1.8
97.02929	0.9
98.06030	2.9
102.05557	1.9
103.05402	1.0
106.06545	1.0
107.04955	100.0
108.05283	2.5
110.07151	5.9
112.08636	0.9
115.08743	0.8
116.07106	3.8
117.06966	1.5
120.08099	3.2
121.06504	1.6
127.03907	2.1
129.07005	1.7
129.10229	7.9
130.04948	1.3
131.04942	5.1
131.08183	1.8
132.05688	2.7
134.08131	29.8
136.07573	1.6
143.11752	1.9
145.06487	3.7
148.21873	0.9
149.05986	1.5
157.06480	3.6
159.11299	1.1
163.07552	3.2
173.12839	1.1
175.07530	2.4
192.08626	3.5
229.15703	0.9
251.10640	1.1
252.08678	1.4
291.18060	1.2
355.18130	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2791
Annotation	Pittosporatobiraside A
Peak:m/z	Relative Intensity
55.05527	1.4
55.40711	1.5
60.96443	1.3
67.05505	1.6
69.03424	1.6
69.07063	18.6
69.40462	13.0
79.05514	2.9
81.07052	2.3
83.01298	4.0
90.61844	1.4
91.05448	2.4
93.07027	5.2
95.08620	3.2
105.07024	3.8
107.08587	7.0
109.06478	2.1
109.10101	1.7
121.06475	3.0
123.11707	13.1
131.08521	1.9
133.10153	1.9
135.08029	5.2
135.11673	8.0
137.05916	2.9
139.10660	1.5
149.09610	3.9
153.05464	1.8
159.08037	4.3
162.06749	5.9
163.07545	7.2
164.83955	1.6
165.05464	71.8
177.09087	14.0
183.12080	1.5
183.27553	1.5
187.07521	3.6
205.08591	66.0
211.09653	2.5
221.11731	33.0
223.09637	100.0
224.80049	1.7
287.16391	29.6
291.15909	6.3
305.17419	6.3
308.19266	1.8
312.38361	1.8
345.20578	25.3
357.20782	2.9
363.21436	3.4
413.26389	1.9
431.33994	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06148	0.8
55.05501	1.8
56.05026	2.6
58.99578	1.2
60.04519	2.6
67.05495	1.1
69.03400	0.8
69.07062	1.8
69.92376	5.5
70.02943	1.2
70.06590	28.3
71.06111	1.1
71.06941	1.4
72.08155	11.3
74.02448	0.8
74.06086	2.3
75.05605	7.6
76.02212	3.7
76.69772	0.8
82.06577	1.0
83.06108	2.2
84.04502	8.1
84.08136	14.3
85.02914	1.5
85.08437	0.9
86.06075	1.0
86.09707	100.0
87.05591	14.9
87.10040	2.2
88.03993	1.8
90.05568	1.6
91.05791	2.0
95.04375	0.9
95.04935	1.2
95.06039	1.0
98.06082	1.3
98.09689	5.8
98.20821	1.4
98.98487	1.6
99.05587	7.9
102.05527	3.8
107.04967	7.4
108.29954	1.0
110.07175	7.5
115.05059	30.3
115.08688	1.5
116.01691	1.5
116.07061	1.7
120.08076	1.4
123.04417	4.1
125.03463	1.1
126.06638	1.0
126.09174	1.4
127.05036	18.1
129.10243	7.3
130.05014	2.5
132.07693	1.5
133.06140	1.3
136.07565	2.8
143.11792	14.1
144.07671	2.0
154.06111	2.3
155.11795	18.6
156.07681	3.3
162.02161	1.6
163.02426	1.4
166.06076	1.1
167.05626	1.4
171.11278	7.3
172.07220	13.4
179.04897	2.0
183.08820	2.2
183.11287	18.5
183.83334	1.1
184.07187	10.0
185.07425	1.1
187.14641	1.2
200.06804	1.1
200.13968	1.4
201.09886	8.0
203.10220	1.1
203.13924	9.9
211.08382	1.4
212.13850	1.6
217.11867	2.0
228.13406	2.5
229.09329	23.7
229.15483	1.3
230.09680	0.9
240.13414	8.9
257.16104	3.9
260.16153	1.4
269.15970	1.2
285.15524	1.3
296.17181	3.1
297.15582	6.8
314.18222	43.8
314.21869	2.1
324.16629	2.5
342.17667	11.5
413.21161	1.8
439.25290	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.8
55.01875	2.0
55.05506	11.0
57.03443	10.5
57.07073	4.4
67.05502	30.6
69.07053	8.6
71.05000	3.2
71.59258	2.7
74.57534	1.6
74.65164	1.7
75.04462	2.2
79.05495	30.0
81.03420	3.9
81.07050	33.8
83.04974	2.2
83.08624	6.5
85.06525	2.7
91.05482	44.2
93.07042	47.1
95.04963	3.7
95.08609	23.4
97.06551	2.9
97.10171	2.5
98.98466	100.0
99.08086	3.6
101.08160	1.7
105.07034	47.6
107.04977	4.3
107.08592	22.1
109.06517	2.0
109.10161	11.2
116.99487	3.2
117.06989	10.9
119.08583	52.6
121.10140	21.3
123.08080	2.7
125.43430	1.5
129.05475	5.0
129.07004	8.7
131.08578	22.6
133.10143	42.2
135.08098	2.3
135.11700	21.0
135.40489	1.6
141.06921	1.9
141.53854	1.7
142.07820	2.1
143.08554	9.3
145.10132	21.8
147.11682	39.4
149.13216	15.6
155.01062	4.2
155.07130	2.3
155.94534	1.7
157.10104	10.7
159.11732	13.6
161.13251	43.3
163.14816	4.6
171.11697	14.5
173.02122	22.6
173.13251	13.2
175.11263	2.8
175.14832	29.6
177.12712	2.7
185.13240	12.6
187.14891	4.2
189.12741	4.1
199.14848	6.6
201.16336	3.1
209.44470	1.8
213.16400	4.4
215.17961	7.4
217.15872	1.9
217.19553	5.1
221.82388	1.9
231.21202	8.6
241.19510	54.8
243.21179	2.5
259.20584	77.8
275.20190	2.5
277.21606	3.1
315.23309	6.1
326.86359	1.8
333.24222	87.5
413.20691	5.2
431.21255	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	9.7
57.03428	14.0
67.05505	27.9
67.86344	3.4
69.07059	10.3
70.35171	7.0
70.35526	9.6
79.05499	30.0
81.07053	28.8
91.05466	46.0
93.07043	38.4
95.04988	5.1
95.08611	19.8
97.06524	3.7
98.98464	100.0
103.89680	3.8
105.07036	53.9
107.08598	25.6
109.10159	6.9
117.07009	13.4
119.08583	51.5
121.10172	17.6
129.05505	7.9
129.07005	11.3
131.08600	21.0
133.10130	45.7
135.11708	19.6
143.08556	6.9
145.10170	17.2
147.11697	34.3
149.13239	13.4
157.10110	9.7
159.11702	14.8
161.13251	48.1
163.14781	8.3
171.11646	13.6
173.02057	20.6
173.13274	19.6
175.11229	5.3
175.14885	32.6
185.13217	9.1
187.14885	7.2
199.14824	8.6
217.19403	8.2
231.21037	12.9
241.19502	54.4
259.18005	6.8
259.20590	80.1
309.55231	4.5
315.23175	8.4
333.24255	89.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.05500	7.0
57.03424	6.2
57.07052	3.9
57.51031	1.7
58.54305	1.6
65.03907	1.7
67.05502	17.8
69.07047	6.2
71.04967	3.3
75.04472	2.9
79.05487	23.3
81.07052	22.3
83.08600	3.7
85.06530	2.9
85.42475	1.7
91.05471	35.0
93.07040	26.4
95.04929	3.5
95.08607	19.1
97.06522	2.3
97.10159	2.1
98.98463	100.0
99.08057	2.3
105.07032	38.1
107.08581	14.8
108.14437	1.8
109.10152	5.5
113.97209	1.6
116.99476	3.7
117.06999	8.6
117.35941	1.5
118.24057	1.6
119.08571	36.5
120.74370	1.5
121.10146	11.2
129.05486	2.5
129.07013	7.1
131.08568	18.4
133.10132	25.6
135.11700	13.7
142.07712	2.0
143.08559	9.2
145.10115	11.7
147.11687	29.7
149.13255	8.9
155.01035	8.8
157.10097	9.2
159.11678	13.6
161.13249	34.9
163.14786	3.8
171.11681	10.8
173.02080	17.5
173.13278	11.1
175.11208	2.5
175.14828	25.2
185.13275	11.6
187.14832	3.4
199.14764	7.4
213.16357	3.6
215.17944	3.1
217.19415	4.0
231.21080	9.1
241.19502	41.7
259.20557	60.9
277.21558	2.6
315.23224	2.4
321.35193	1.8
333.24234	43.6
413.20633	8.1
431.21237	3.7
431.26520	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	431.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.0
55.01870	4.9
55.05507	18.1
56.05029	4.1
56.96556	11.2
57.03427	9.0
61.02923	7.2
67.05498	23.9
68.05013	4.2
69.03415	8.4
69.07051	8.8
70.06580	10.7
70.38585	4.3
70.38967	5.1
71.04965	4.9
72.08172	3.4
73.02882	4.2
79.05483	23.8
80.05025	2.8
81.03411	41.3
81.07050	21.8
82.06571	2.9
83.04984	9.0
83.08619	20.1
84.94373	2.5
85.02879	10.9
91.03954	3.7
91.05457	20.7
93.07037	21.2
94.06575	4.7
95.04971	19.9
95.06111	2.5
95.08601	10.2
97.02874	7.0
97.06525	8.5
97.10163	3.7
99.04507	2.9
103.05452	2.4
105.03369	3.0
105.07012	12.6
107.04950	35.2
107.08593	8.5
108.05291	4.1
108.08157	3.6
109.02847	3.3
109.06511	4.4
109.10155	5.4
111.08087	6.5
113.06004	2.9
115.05470	3.4
115.16441	2.6
119.08596	13.8
121.06493	21.6
121.10126	6.9
122.06830	8.4
127.03913	4.1
129.07010	5.8
130.06514	48.0
131.08556	10.3
132.04398	14.6
133.10124	7.0
137.05978	5.2
138.05484	2.6
144.04442	6.5
145.10141	4.8
146.05931	5.2
147.11638	12.2
149.09636	5.8
157.07625	41.6
157.10136	9.8
158.06018	32.8
159.09265	4.4
160.07545	2.6
168.08099	3.5
169.07576	3.3
175.08656	56.8
175.11185	7.8
185.07220	3.4
186.96767	4.4
191.10606	2.6
193.12219	28.9
197.10876	3.6
203.08151	100.0
204.06563	3.9
204.08499	2.6
208.09781	3.2
211.13287	59.9
219.39969	2.9
221.09172	40.6
225.10379	4.6
243.11261	2.8
253.07407	2.7
267.21362	6.2
281.10428	4.2
285.95258	3.1
299.11465	3.5
300.15820	4.2
303.85645	2.6
325.21075	3.9
343.20157	7.1
349.19211	3.6
351.20728	7.2
356.26566	3.3
367.20071	9.1
387.27243	25.9
395.19690	4.7
400.00067	2.8
413.20697	23.3
428.50809	2.8
431.21353	24.5
431.30008	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69544	4.1
55.01863	6.9
55.05497	7.5
67.05493	10.4
69.03409	6.5
69.55118	23.4
70.06586	10.5
71.04974	4.4
72.00584	3.8
72.08163	7.1
78.68716	3.8
79.05486	10.3
79.75079	3.5
80.05828	4.4
81.03400	4.6
81.07051	14.1
84.08144	7.0
86.09694	8.0
91.05441	23.3
93.07012	8.4
95.04968	11.5
95.08624	8.5
97.02897	3.9
98.98463	12.3
103.05441	13.1
105.03419	5.4
105.07031	11.3
107.04951	30.4
107.08616	4.9
108.05282	6.9
109.06440	4.2
115.05439	24.3
117.07038	24.3
119.08559	4.2
121.02836	4.2
121.06491	9.3
127.65073	4.1
128.06223	16.1
129.07024	57.7
131.04922	23.4
131.08534	6.6
133.06522	8.3
133.10086	5.2
141.06995	26.9
143.08501	5.3
144.05666	6.4
145.06491	86.4
147.08032	10.0
153.06985	6.1
155.08572	10.0
157.06505	79.8
159.08032	15.5
165.06979	17.5
169.06490	56.9
171.08058	10.1
175.07581	4.8
177.06952	3.4
178.07845	17.5
179.08554	13.1
181.06445	9.9
182.07224	9.4
183.08070	12.8
187.07449	4.5
189.07060	5.7
189.09103	4.4
190.07756	10.3
191.08539	12.0
193.06334	4.0
193.10066	12.2
194.07224	8.2
195.08038	11.9
196.08896	5.9
197.06003	13.3
198.06763	3.7
199.07506	4.8
202.07771	10.8
203.08472	5.9
205.06416	4.9
206.07225	5.1
207.08044	17.4
209.09525	6.2
210.06734	7.6
211.07541	100.0
214.14610	7.1
215.08589	4.3
217.10123	11.5
218.07280	9.5
219.08051	20.8
220.08820	5.7
221.06012	6.8
221.09625	24.9
222.06647	4.2
223.07603	23.2
224.08217	4.5
225.09093	10.9
231.07997	7.3
233.09589	11.3
234.06697	6.8
235.07553	55.2
235.11093	6.1
236.08186	12.9
237.09102	67.7
238.09506	5.8
239.10660	54.3
245.09628	18.6
247.07581	5.1
249.09140	12.7
251.10753	20.3
255.10231	4.6
257.11728	48.1
259.19644	9.0
261.09152	20.8
262.09830	9.8
263.10721	38.6
264.11383	9.9
267.35455	4.2
278.11002	4.8
279.10181	5.2
281.11707	10.3
282.12613	4.7
293.09549	4.4
295.11890	4.2
297.13272	4.9
305.09384	5.2
306.10291	8.6
307.11292	5.8
309.09308	6.9
309.12668	4.6
321.12695	9.4
323.10623	5.6
331.11188	4.7
333.12808	8.0
334.09976	5.7
335.10620	9.8
337.12283	11.4
347.10663	5.3
349.12155	12.6
349.16049	4.6
352.10883	5.5
354.12515	5.2
355.13342	20.2
357.14777	4.6
357.25266	5.9
361.12054	3.9
367.13229	58.4
367.17062	5.7
369.14948	5.4
377.15396	5.8
383.16333	18.1
385.18018	11.2
395.16379	37.3
401.17456	22.5
413.17413	77.4
431.29053	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	431.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69544	4.1
55.01863	6.9
55.05497	7.5
67.05493	10.4
69.03409	6.5
69.55118	23.4
70.06586	10.5
71.04974	4.4
72.00584	3.8
72.08163	7.1
78.68716	3.8
79.05486	10.3
79.75079	3.5
80.05828	4.4
81.03400	4.6
81.07051	14.1
84.08144	7.0
86.09694	8.0
91.05441	23.3
93.07012	8.4
95.04968	11.5
95.08624	8.5
97.02897	3.9
98.98463	12.3
103.05441	13.1
105.03419	5.4
105.07031	11.3
107.04951	30.4
107.08616	4.9
108.05282	6.9
109.06440	4.2
115.05439	24.3
117.07038	24.3
119.08559	4.2
121.02836	4.2
121.06491	9.3
127.65073	4.1
128.06223	16.1
129.07024	57.7
131.04922	23.4
131.08534	6.6
133.06522	8.3
133.10086	5.2
141.06995	26.9
143.08501	5.3
144.05666	6.4
145.06491	86.4
147.08032	10.0
153.06985	6.1
155.08572	10.0
157.06505	79.8
159.08032	15.5
165.06979	17.5
169.06490	56.9
171.08058	10.1
175.07581	4.8
177.06952	3.4
178.07845	17.5
179.08554	13.1
181.06445	9.9
182.07224	9.4
183.08070	12.8
187.07449	4.5
189.07060	5.7
189.09103	4.4
190.07756	10.3
191.08539	12.0
193.06334	4.0
193.10066	12.2
194.07224	8.2
195.08038	11.9
196.08896	5.9
197.06003	13.3
198.06763	3.7
199.07506	4.8
202.07771	10.8
203.08472	5.9
205.06416	4.9
206.07225	5.1
207.08044	17.4
209.09525	6.2
210.06734	7.6
211.07541	100.0
214.14610	7.1
215.08589	4.3
217.10123	11.5
218.07280	9.5
219.08051	20.8
220.08820	5.7
221.06012	6.8
221.09625	24.9
222.06647	4.2
223.07603	23.2
224.08217	4.5
225.09093	10.9
231.07997	7.3
233.09589	11.3
234.06697	6.8
235.07553	55.2
235.11093	6.1
236.08186	12.9
237.09102	67.7
238.09506	5.8
239.10660	54.3
245.09628	18.6
247.07581	5.1
249.09140	12.7
251.10753	20.3
255.10231	4.6
257.11728	48.1
259.19644	9.0
261.09152	20.8
262.09830	9.8
263.10721	38.6
264.11383	9.9
267.35455	4.2
278.11002	4.8
279.10181	5.2
281.11707	10.3
282.12613	4.7
293.09549	4.4
295.11890	4.2
297.13272	4.9
305.09384	5.2
306.10291	8.6
307.11292	5.8
309.09308	6.9
309.12668	4.6
321.12695	9.4
323.10623	5.6
331.11188	4.7
333.12808	8.0
334.09976	5.7
335.10620	9.8
337.12283	11.4
347.10663	5.3
349.12155	12.6
349.16049	4.6
352.10883	5.5
354.12515	5.2
355.13342	20.2
357.14777	4.6
357.25266	5.9
361.12054	3.9
367.13229	58.4
367.17062	5.7
369.14948	5.4
377.15396	5.8
383.16333	18.1
385.18018	11.2
395.16379	37.3
401.17456	22.5
413.17413	77.4
431.29053	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	431.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.8
55.05499	1.4
56.05021	3.1
56.89566	0.8
57.03418	0.9
59.43489	0.9
60.04522	2.3
61.01131	0.8
65.23839	0.9
67.05499	1.7
70.02936	2.4
70.06593	25.3
70.17255	3.0
71.06937	0.9
72.08151	9.3
74.02038	1.2
74.02440	19.6
74.06071	1.4
79.05483	2.9
81.03413	6.5
82.06586	1.3
83.06081	1.6
83.08587	1.1
84.04503	16.1
84.08145	11.5
85.02875	1.0
85.07664	1.4
86.06064	1.1
86.09224	1.4
86.09711	23.1
87.05592	30.8
87.10016	1.6
88.03989	6.5
88.08756	1.0
91.05467	6.7
93.07045	2.9
95.04958	3.6
97.07634	0.8
98.09624	0.8
102.05526	2.4
103.05498	4.9
105.07003	2.2
107.04958	63.0
107.08563	1.5
108.05258	1.2
110.07162	5.7
111.08089	1.3
112.08714	1.2
115.05421	1.2
115.08665	1.0
116.03468	6.9
116.06264	1.0
116.07070	2.3
117.07025	4.9
117.25922	1.0
119.04928	2.9
119.08538	1.1
120.08128	4.4
121.06512	4.6
128.06232	1.9
129.07021	14.0
129.10248	6.3
130.05013	14.1
131.04922	20.9
131.08115	4.9
132.05704	8.7
133.06081	100.0
134.08136	1.2
135.08051	1.0
136.07570	1.3
143.11794	1.3
145.06477	16.6
146.11816	0.8
147.07642	11.3
149.05988	3.7
155.08186	1.3
157.06493	18.8
157.13297	1.1
163.06226	1.3
163.07521	7.8
175.07507	9.4
183.07912	1.0
184.07378	1.3
193.12204	1.2
203.15059	6.6
205.08496	1.3
215.13837	1.4
218.50940	0.9
237.09125	1.2
251.10631	5.4
263.10587	1.1
267.15854	1.7
268.47928	0.8
269.11816	1.2
281.11655	1.3
372.14462	1.2
431.17105	2.6
431.28418	1.2
448.78107	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93528	2.3
56.96577	2.2
60.04513	2.1
60.90234	1.7
63.80617	1.7
69.03427	2.9
69.55941	13.9
70.06584	6.3
70.95833	2.3
72.93762	4.9
81.03377	1.7
85.02917	4.2
90.94807	5.1
97.02875	2.6
98.97562	2.2
98.98437	2.5
107.04961	8.6
109.02872	2.1
116.98651	2.0
122.03666	4.9
128.96396	1.6
131.43349	1.7
132.95837	8.2
134.99632	1.7
137.05959	51.9
144.95811	5.2
147.04417	2.2
150.96869	7.8
158.97423	6.0
162.96910	3.7
174.96889	4.8
176.98474	4.5
185.40311	1.9
186.96877	6.0
188.98476	3.2
192.97920	2.4
192.99495	5.0
194.97382	22.9
198.96849	7.3
204.97964	2.7
208.98949	20.5
210.96870	4.0
211.97653	7.8
212.98431	33.5
216.97903	4.7
217.98920	1.9
226.99991	3.7
228.97963	2.4
234.98994	11.8
235.97617	6.6
236.98566	1.7
237.02873	5.8
242.93130	1.9
247.97643	3.7
250.71542	1.7
251.00011	19.9
253.00102	1.8
253.98746	4.2
262.07254	1.7
263.00003	7.3
265.98636	3.8
276.99823	12.5
335.02170	1.8
337.05862	4.2
353.03140	100.0
371.04248	4.5
373.07889	2.6
431.08533	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	430.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.1
55.01870	1.5
55.05296	1.1
55.05511	10.7
56.05017	3.0
57.03173	1.7
57.03429	10.8
60.04522	24.0
62.05832	1.4
62.06089	14.7
67.05504	17.0
68.05037	1.5
69.07074	13.5
69.54618	6.9
70.06592	32.9
71.04997	7.6
71.06917	2.3
72.04507	5.1
72.08159	9.4
73.59699	1.2
74.06053	1.6
79.05482	11.0
81.07053	38.1
83.04965	2.3
83.06107	1.2
83.08651	7.0
84.04510	9.7
84.08147	14.7
85.02910	6.8
85.06554	8.7
85.20499	1.2
86.06065	10.5
86.09702	31.9
87.05577	1.9
87.10045	1.6
87.11768	1.1
88.03990	1.3
91.05440	14.4
93.07043	10.7
95.04937	3.4
95.08607	47.4
96.04519	3.2
97.02872	2.2
97.06533	8.6
97.10146	3.3
98.06055	2.0
98.98467	53.4
99.08084	4.1
103.05486	3.8
105.07040	11.3
106.08688	1.6
107.04954	37.5
107.08608	3.7
108.05293	1.7
109.02894	1.3
109.10131	6.0
110.07154	4.4
111.08068	2.8
114.05535	13.0
115.07571	1.6
115.08748	1.1
116.07102	1.4
116.99519	1.3
117.07017	2.5
119.04929	2.5
119.08587	12.5
120.08108	4.3
121.06496	4.0
121.10136	1.8
123.08066	4.6
129.06976	4.7
129.10233	8.8
131.04933	11.7
131.08572	1.3
132.05728	4.4
132.06558	100.0
132.10229	2.3
133.06488	3.8
133.10150	8.4
135.11705	4.2
136.07539	1.3
137.09593	2.5
137.13239	5.2
141.06607	1.5
143.11806	1.6
145.06476	8.6
149.05975	2.7
149.13281	1.9
154.99750	2.0
155.01025	38.7
157.06467	6.7
161.13257	26.2
163.07561	5.2
173.02119	8.6
175.07507	6.8
179.14304	33.8
183.14890	1.6
184.07372	1.2
186.08780	2.5
187.07365	1.3
197.13641	1.5
197.15353	8.6
198.05315	2.1
200.13911	1.8
201.12343	1.5
210.06454	1.3
216.06369	2.8
237.09186	1.6
240.19562	7.2
251.10616	4.5
253.17870	4.3
257.09534	1.2
271.19046	74.7
289.20068	27.5
289.84869	1.4
319.96432	1.2
333.14545	7.0
351.15659	50.7
360.02686	1.9
369.16910	11.2
369.31403	1.3
387.17572	2.0
394.20068	2.6
394.45859	1.4
412.20840	5.3
430.18060	16.8
431.18970	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	430.22
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.01859	1.6
55.05511	8.8
56.05019	1.2
57.03437	8.8
60.04524	22.7
62.06089	12.5
67.05501	11.3
68.05008	1.3
69.07062	11.1
70.06591	21.2
71.04988	7.1
71.06925	1.3
71.58289	1.7
72.04520	6.8
72.08141	6.0
73.02899	1.3
73.04772	1.5
74.06062	1.9
78.53769	1.0
79.05492	10.2
81.06586	1.9
81.07056	30.1
83.04965	2.0
83.06096	1.8
83.08616	7.6
84.04489	6.4
84.08138	10.9
85.02894	5.9
85.06535	6.0
86.06062	10.1
86.09704	22.3
88.03981	1.3
91.05460	11.3
93.07030	9.4
95.04964	2.7
95.08604	37.0
96.04474	2.4
97.06528	7.4
97.10152	2.4
98.06028	1.5
98.98463	37.4
99.08092	2.3
101.94450	1.1
103.03905	1.3
103.05466	3.8
105.07021	8.7
107.04955	40.1
107.08583	3.7
109.06483	1.2
109.10146	3.8
110.07162	1.8
111.08065	3.1
114.05532	12.8
114.09148	1.3
116.99445	1.4
117.07005	3.0
119.04907	2.2
119.08559	11.7
120.08077	4.8
121.06494	3.7
121.10138	2.2
123.08039	2.3
129.06993	3.0
129.10258	7.1
131.04929	11.7
132.05753	4.8
132.06558	100.0
133.06494	3.7
133.10115	8.2
135.11679	3.9
136.07565	1.7
137.09595	2.0
137.13245	4.3
141.06596	1.9
143.11801	1.9
145.06485	8.5
149.05957	2.5
155.01042	30.2
157.06488	9.5
161.11995	1.5
161.13264	21.5
163.07587	6.0
173.02094	7.9
175.07593	7.2
176.68591	1.1
179.14316	27.5
186.08728	1.8
187.10730	1.3
197.15361	6.8
205.08568	2.3
216.06346	3.0
233.09767	1.1
237.12215	1.4
240.19539	5.3
251.10643	4.7
253.17947	4.1
271.19049	60.9
280.11572	1.2
281.11752	1.8
289.20084	27.2
333.14566	6.1
351.15662	46.2
369.16690	10.3
387.17831	1.5
394.19781	3.1
412.20926	4.5
421.73413	1.1
430.18158	15.7
431.18951	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63306	0.5
52.68518	0.5
53.03927	1.1
55.01869	0.6
55.05508	4.2
56.96542	1.4
57.03416	1.9
57.07072	1.1
61.02929	2.4
67.05497	1.2
69.03426	4.6
69.07060	1.0
69.99387	0.5
70.04071	2.5
70.06581	2.4
71.04972	0.9
72.08125	1.2
73.02901	2.1
73.06540	3.8
73.11344	0.5
79.05470	2.1
80.05489	0.5
81.03399	2.3
81.07039	4.3
83.04972	4.7
83.08603	1.1
84.08126	0.9
85.02425	1.0
85.02898	13.6
85.03992	1.4
85.06538	0.7
86.06049	2.2
86.09691	1.7
87.04472	3.9
87.10030	0.6
89.06030	3.2
91.02377	0.5
91.05472	1.8
93.07019	1.6
95.04949	1.2
95.06093	0.6
95.08598	0.9
97.02873	4.5
98.06042	6.9
98.09633	0.5
99.08096	3.1
102.00797	0.5
107.04957	4.2
107.08593	0.7
109.02846	1.2
110.07149	0.6
113.06006	0.9
114.02993	1.0
119.08548	0.5
121.10161	0.6
122.07142	3.1
124.08685	2.0
126.05574	0.9
127.03893	2.0
130.06500	0.9
131.08566	0.6
133.08566	1.6
133.10095	0.9
134.07109	1.0
135.07933	0.6
137.05927	1.0
138.06612	1.4
140.08171	6.5
140.10660	1.4
145.04958	1.0
148.08675	1.7
149.09511	1.5
150.10248	2.0
152.08179	4.3
158.11749	7.8
164.08229	1.1
165.12581	0.5
166.12242	0.5
168.11311	23.9
177.11247	0.7
184.13255	0.6
186.15555	0.5
212.10252	0.5
220.14401	5.0
220.68196	0.5
222.16016	0.9
225.08986	0.5
229.58748	0.6
232.14465	0.8
238.15482	75.1
239.15840	0.9
250.15486	12.8
252.15910	1.6
268.16534	100.0
269.16830	1.6
287.05344	0.5
288.18060	4.6
291.19727	0.7
308.16397	0.6
324.19510	0.5
412.27008	1.3
430.21072	0.9
430.27841	3.6
449.05746	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18481	0.4
51.41065	0.4
53.03940	1.5
55.01865	1.6
56.05011	0.5
57.03437	4.0
57.51989	0.5
59.05001	0.7
60.04525	8.7
61.02924	5.6
69.03429	13.4
70.06589	5.9
71.04992	21.2
71.09538	0.6
71.09845	0.7
72.08131	0.5
73.02916	2.1
74.06053	1.3
81.02974	0.8
81.03414	7.2
83.04995	0.7
84.04507	0.6
84.08144	1.0
85.02904	45.5
86.06071	3.3
86.90951	0.6
87.04472	1.2
88.07631	28.3
90.44140	0.4
91.03952	2.1
94.93044	1.1
96.04504	0.5
97.02894	14.2
99.04438	2.4
100.07565	0.6
101.02364	0.5
102.05491	0.6
102.09217	0.4
103.03951	0.5
104.07118	1.0
106.08666	100.0
107.09016	1.0
109.02881	4.5
112.07626	0.6
123.82836	0.5
124.03964	5.2
127.03909	9.6
130.08644	3.3
136.06206	1.3
145.04959	8.8
148.09682	5.7
163.06013	1.3
170.08153	1.0
172.09737	0.9
173.03050	0.5
184.09714	1.0
188.09233	1.2
196.09734	0.7
202.10818	0.8
206.10262	1.9
214.10727	1.3
232.11801	7.1
232.13882	0.6
250.12871	7.3
256.08063	0.5
268.13922	17.1
394.17151	1.0
412.18076	3.5
430.19205	36.7
431.19595	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01881	1.3
55.05500	0.7
56.05026	1.5
57.03434	1.8
60.04527	22.5
68.05025	1.0
69.07068	1.4
70.06596	10.3
71.33424	1.8
72.04513	5.8
72.08158	4.3
73.02910	1.3
75.36552	0.6
79.05477	1.0
82.06609	0.7
83.06113	1.6
83.08617	0.7
84.04506	6.0
84.08151	6.4
85.02916	5.6
86.06075	7.9
86.09218	1.3
86.09711	18.7
91.05475	2.3
93.07023	1.0
95.04977	0.8
95.08591	0.8
96.04489	2.0
101.07155	1.1
103.03982	0.8
103.05450	1.8
104.10745	1.0
105.06992	1.4
107.04956	28.8
108.05289	0.7
110.07160	2.2
112.08697	0.8
112.53960	0.6
114.05540	12.5
115.05435	1.0
116.06224	1.3
116.07068	1.3
117.07001	1.2
120.08096	2.0
121.06500	2.3
129.07040	1.4
129.10275	3.2
130.05003	0.8
131.04921	6.2
131.08554	1.8
132.05765	4.1
132.06567	100.0
133.06465	5.2
136.07568	0.7
140.08214	1.6
141.06566	0.9
142.44505	0.7
143.11853	0.8
145.06479	5.3
149.05907	1.0
157.06549	4.0
158.09212	1.1
159.08089	2.2
163.07562	4.2
168.07690	2.4
169.06038	0.7
175.07568	3.2
184.07359	1.7
186.08821	1.1
189.25748	0.8
191.62013	0.7
202.05400	0.8
205.08606	0.8
212.47166	0.7
226.71260	0.6
237.09000	0.7
251.10426	1.5
254.15073	0.8
281.11774	1.6
299.17117	2.1
360.03027	0.7
371.83765	0.7
412.25684	1.7
430.18594	9.7
431.18762	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	430.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.9
55.01867	1.4
55.05514	4.0
56.05014	2.0
57.03439	6.4
60.04215	1.3
60.04523	22.2
62.06085	2.0
67.05505	9.6
68.05012	1.0
69.03424	1.6
69.07063	6.3
70.06590	20.9
70.73727	0.6
71.04982	2.5
71.06896	0.9
72.04507	6.7
72.08153	5.3
73.02897	0.9
74.06072	1.2
79.05486	5.2
81.03425	1.3
81.07051	13.0
83.04944	1.4
83.06098	1.4
83.08611	3.4
84.04498	6.6
84.08144	9.6
85.02897	6.5
85.06535	2.8
86.06067	7.8
86.09217	1.4
86.09705	19.4
87.05575	1.3
88.03975	1.2
91.05438	7.1
93.07040	6.4
95.04968	2.5
95.08601	16.7
96.04482	2.2
96.66530	0.7
97.02922	1.2
97.05875	0.8
97.06501	3.5
97.10138	1.0
97.25063	0.7
98.06050	0.7
98.98466	6.3
99.08121	1.3
102.05537	1.2
103.05452	3.0
104.10767	0.9
105.07027	5.4
107.04955	40.6
107.08603	2.2
109.06508	0.8
109.10132	3.2
110.07143	3.2
111.08107	0.8
112.08716	1.2
114.05528	11.8
115.08641	0.6
116.07073	1.1
117.07046	1.8
119.04932	2.0
119.08597	4.9
120.08069	3.6
121.06491	4.0
121.10135	1.2
127.03883	1.5
129.07031	4.6
129.10257	5.1
130.05014	1.0
131.04919	8.8
131.76524	0.7
132.05759	4.5
132.06563	100.0
133.06467	4.6
133.10129	3.2
134.99615	0.8
135.11711	2.5
137.09601	1.0
137.13286	1.0
141.06636	0.8
143.11795	1.7
145.06471	7.7
149.05997	2.6
155.01031	4.5
157.06473	7.6
159.07997	1.5
159.09264	0.7
161.13271	9.1
162.02162	0.8
163.07603	4.2
165.95999	0.7
167.05551	0.8
172.38203	0.8
173.02162	0.8
175.07539	6.8
179.14294	9.1
183.11263	0.8
197.15375	2.7
200.13951	1.0
205.08548	1.2
221.72668	0.6
237.09038	1.2
240.19582	1.4
251.10532	5.0
253.18068	1.3
263.10696	1.1
269.11838	0.8
271.19125	11.6
280.11569	1.1
281.11755	2.0
289.16904	1.2
289.20093	22.0
333.14407	0.8
351.15619	5.3
360.03030	1.0
369.16663	1.0
430.18521	15.4
431.19016	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.3
57.03423	0.4
58.22619	0.2
61.02924	0.3
64.19189	0.2
65.61372	0.2
69.03441	1.0
69.12061	0.2
70.06585	0.7
71.27656	0.4
73.02909	0.6
81.03375	0.3
84.04540	0.3
84.08141	0.6
85.02907	1.9
86.09700	0.5
91.05802	0.2
94.04057	0.4
97.02895	0.9
98.98478	0.2
102.56841	0.2
110.07207	0.2
119.03541	0.7
127.04039	0.3
129.10254	0.4
132.10201	0.3
133.04948	0.5
136.06183	100.0
137.04590	0.9
137.06543	0.6
152.05719	0.3
154.88710	0.2
268.10397	6.2
298.11469	0.7
430.15714	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	430.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.3
55.01863	1.1
57.03434	0.6
64.99441	0.4
69.03419	1.5
70.06599	2.8
71.04966	0.4
72.08138	0.9
73.02908	0.5
74.00666	1.2
76.02217	0.8
76.03996	1.3
83.18771	0.3
84.04523	2.2
84.08131	1.2
85.02907	3.3
85.04017	1.4
86.18515	0.3
91.05803	1.8
92.01705	1.4
97.02902	1.6
98.98459	0.5
106.08658	0.5
107.04957	5.8
109.02850	0.5
110.07175	0.4
112.03973	0.6
113.03463	0.4
119.03516	1.2
123.04412	1.2
127.03927	0.9
129.10228	1.0
130.05011	4.3
131.04535	1.1
136.06186	100.0
137.04544	0.8
145.05002	0.5
145.06087	0.7
149.03787	0.7
150.79492	0.3
154.49263	0.4
160.00650	0.4
162.02263	0.6
164.94888	0.3
177.03285	10.1
178.09491	0.3
179.04811	0.5
185.03891	0.5
195.04335	1.0
198.98631	0.4
221.83253	0.4
231.04390	0.4
241.03250	0.4
268.10382	5.9
288.06473	1.0
289.05145	0.4
298.11536	1.5
306.07449	2.2
359.02878	0.4
360.02954	0.6
430.15598	3.7
430.27661	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1498
Annotation	Cottoquinazoline A
Peak:m/z	Relative Intensity
57.07076	1.4
64.52840	0.9
69.07049	2.0
70.45255	1.6
79.05473	1.7
81.07026	1.1
91.05468	1.0
95.08604	1.6
98.20873	0.8
98.98449	2.6
104.02216	8.4
112.99959	0.9
121.06500	11.2
127.28488	0.7
131.08554	0.8
134.03241	7.3
135.04054	1.7
138.06514	1.8
138.09111	1.1
149.43954	0.7
150.12747	0.8
164.06787	1.0
169.02596	0.9
172.23013	0.7
173.96881	0.7
206.08949	3.5
218.08983	17.7
219.09779	23.9
246.08450	20.2
251.08749	43.8
261.10843	2.8
284.45148	1.0
303.15500	46.8
304.15707	1.3
332.22403	1.1
430.15015	100.0
431.15305	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	430.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01861	2.0
56.05037	2.5
56.06448	0.9
58.06597	2.6
58.99582	18.4
60.04523	4.3
62.06081	1.8
67.05501	3.3
68.05022	1.9
70.02923	0.9
70.06588	16.1
70.96497	2.2
72.08146	7.8
73.01151	1.1
74.00663	1.6
76.02225	100.0
76.03992	7.4
79.05477	1.1
83.06113	2.1
84.04499	27.0
84.08131	7.9
85.02892	2.1
85.04031	2.8
85.07664	21.2
86.06065	2.5
86.07993	3.3
86.09708	11.3
86.99055	3.3
88.02216	12.1
88.47466	0.9
91.05457	1.7
91.42670	0.9
92.01697	2.3
92.09644	0.8
93.07051	1.7
95.04966	5.4
99.05567	1.4
102.05517	0.9
103.05466	1.7
104.10742	2.8
105.03391	1.2
107.04951	33.0
108.05273	6.4
110.07178	3.2
112.03974	1.1
114.05540	2.5
115.05052	2.1
115.08658	1.0
116.01677	25.5
116.02500	1.6
116.07104	2.2
118.07338	1.0
120.08148	1.2
121.06483	2.4
123.04423	89.7
124.04773	2.5
129.06618	1.0
129.10236	5.1
130.05008	18.3
130.07347	1.5
131.04868	4.1
131.08160	55.3
132.05284	1.7
132.08522	15.4
133.06065	1.5
138.05513	2.5
142.03230	8.5
144.01134	13.4
145.06339	3.0
146.06813	2.1
147.07741	1.1
149.03772	1.4
157.06429	3.3
158.06836	2.2
162.02197	51.2
163.07504	2.7
164.07954	1.1
170.02715	3.5
174.02226	1.4
175.07605	1.8
176.07954	1.0
177.03273	17.3
179.04845	86.7
180.05176	1.6
181.03217	2.6
181.06053	0.9
184.07364	3.0
185.16516	1.1
191.04898	5.7
193.36581	0.9
195.04216	1.1
195.61382	0.8
196.05923	1.6
198.05804	6.5
199.05237	0.9
202.08223	4.4
215.04861	1.6
216.03473	1.5
217.06436	1.4
230.65938	1.0
231.04216	1.2
233.05875	19.6
233.08076	1.7
234.06233	1.0
245.05910	3.3
250.07207	1.0
252.11153	1.0
284.05896	1.2
288.06543	1.6
290.08063	1.5
291.06433	1.7
301.08435	3.5
306.07501	3.9
308.09109	21.2
315.01312	0.9
355.09467	3.1
430.12347	1.3
430.21448	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3726
Annotation	(3beta)-28-Norlup-20(29)-ene-3,17-diol
Peak:m/z	Relative Intensity
55.05488	6.9
56.96550	3.5
57.07066	11.9
67.05479	9.8
69.07053	16.5
69.39172	12.8
69.39593	16.6
71.08617	8.0
77.33560	3.8
79.05455	4.4
81.03405	3.7
81.07036	14.0
83.08601	5.4
83.72488	3.2
90.35884	3.3
91.05457	9.7
93.07034	9.7
95.08597	26.6
96.90826	3.6
97.06516	5.3
97.10168	8.3
105.07014	13.8
107.08540	7.4
109.10149	8.8
115.75311	3.2
119.08550	9.9
121.10067	7.4
125.34671	3.7
129.06931	3.2
131.08575	7.5
133.10115	15.0
137.09634	3.8
140.40286	3.2
143.08530	3.8
145.10132	7.2
147.11661	4.8
149.09612	6.6
157.10121	9.8
159.11668	9.4
161.13399	4.0
163.11137	6.7
177.12750	5.6
185.13347	5.0
211.14833	6.9
253.19649	4.0
303.26895	3.5
313.20584	5.0
317.28336	5.3
331.21649	5.5
341.71295	3.8
393.35092	13.7
411.30591	4.8
411.36169	100.0
412.36621	5.9
429.31998	6.2
429.37183	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	429.3727
Annotation	(3beta)-28-Norlup-20(29)-ene-3,17-diol
Peak:m/z	Relative Intensity
51.76335	1.3
53.03950	1.6
55.01879	1.9
55.05518	7.5
57.07077	13.9
66.44870	1.3
67.05502	13.8
69.07063	18.5
69.95752	7.6
71.08624	7.8
78.36392	1.4
78.59025	1.4
79.05496	9.3
81.07057	15.3
83.04975	2.5
83.08607	7.2
85.10185	7.8
87.32700	1.3
91.05460	13.1
93.07047	19.3
95.08605	32.4
97.06525	8.3
97.10178	8.0
98.21402	2.1
103.28936	1.4
105.07026	15.4
107.04974	1.7
107.08591	13.8
109.06506	1.7
109.10143	15.6
111.08060	1.9
111.11702	4.2
113.00013	5.8
117.06997	2.9
119.08585	12.3
121.06488	2.2
121.10138	12.3
123.08092	3.5
123.11724	3.8
125.09631	1.7
129.07037	3.1
131.08574	7.0
133.10126	17.9
135.08037	5.8
135.11682	7.8
137.09644	3.8
137.13266	2.5
137.57541	1.9
142.07767	2.3
143.08510	4.6
145.02576	1.5
145.10106	8.4
147.08070	2.2
147.11671	5.3
149.09615	9.0
149.13255	4.8
155.08539	2.4
156.70129	1.8
157.10110	16.3
159.11676	9.1
161.09570	2.5
161.13240	2.4
163.11163	10.7
163.14822	4.0
169.02605	5.2
169.10158	2.5
171.11682	4.8
173.13249	6.5
175.11223	1.9
175.14862	2.5
176.71231	1.3
177.12735	4.5
179.14294	1.4
183.11685	3.1
185.13208	2.2
187.14774	2.3
191.14363	1.9
197.13237	5.5
199.14728	3.2
201.16353	1.7
211.14728	6.9
213.16397	1.9
221.22591	1.8
225.16495	2.6
236.86783	1.7
239.17924	2.7
253.19539	2.9
295.24344	1.8
299.27029	1.7
303.26791	3.3
308.03659	1.5
317.28226	2.4
382.87268	1.4
393.35248	16.7
394.35559	1.7
400.20926	1.6
411.36234	100.0
412.36609	9.5
429.11331	1.5
429.31876	12.0
429.37317	12.0
430.32324	2.1
430.37762	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3731
Annotation	(3beta)-28-Norlup-20(29)-ene-3,17-diol
Peak:m/z	Relative Intensity
55.05515	15.1
57.07070	19.2
61.72635	8.7
62.42938	9.3
67.05491	12.2
69.07059	10.6
77.53551	10.8
79.05484	14.8
81.07048	39.3
83.08624	15.8
86.24384	9.2
91.05444	11.2
93.07042	12.1
95.08588	35.8
105.07001	22.8
107.08592	23.0
113.00012	50.0
114.75910	10.8
119.08667	11.9
121.10126	13.0
124.63718	10.0
131.08534	12.7
133.10117	31.7
135.11676	14.6
145.10165	14.3
157.10199	15.7
159.11681	11.4
169.02643	58.4
209.79475	11.2
211.14789	14.7
219.17532	9.3
255.67400	9.8
382.20535	11.3
393.35165	20.5
411.36328	100.0
429.31888	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3729
Annotation	leucisterol
Peak:m/z	Relative Intensity
52.16204	2.7
53.03941	3.8
55.05495	12.9
57.07059	10.7
67.05505	25.0
69.06783	2.4
69.07076	24.3
71.08620	9.5
71.43678	3.5
79.05523	13.9
81.03416	3.3
81.07059	25.4
82.07372	2.5
83.08607	11.7
85.10176	7.3
91.05453	15.3
93.06467	4.9
93.07030	44.5
95.04986	4.7
95.08611	100.0
96.28374	2.3
97.10163	8.2
105.07044	17.8
107.08588	17.7
109.06525	3.1
109.10161	13.1
111.11800	3.5
112.99977	3.3
119.08580	12.0
120.73555	3.1
121.06550	4.6
121.10194	18.2
123.08107	3.0
123.11728	7.0
131.08565	11.1
133.10141	11.5
135.08051	3.0
135.11690	10.3
137.09639	7.7
143.08633	5.1
145.10095	7.6
147.11690	8.9
149.05969	9.5
149.13261	4.4
157.10123	17.3
159.11711	9.2
161.09586	3.2
161.13246	3.8
169.02679	5.2
171.11714	4.0
173.13237	8.3
175.11159	8.0
183.11650	2.9
185.13271	4.7
197.13313	3.4
211.14780	4.0
253.19322	3.1
273.21939	3.3
275.16516	5.1
303.23157	16.4
319.30008	12.9
332.23743	2.8
381.35913	3.2
393.35156	18.9
411.31476	5.5
411.36319	59.0
412.36612	6.3
429.33206	16.2
429.37347	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	429.3727
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05496	2.4
56.61722	2.7
57.07076	15.3
66.25271	2.5
67.05508	4.7
69.07050	4.4
70.11572	11.7
71.08625	10.5
81.07055	6.4
83.08585	3.8
85.10193	7.1
90.53929	2.2
91.05807	5.2
91.52464	3.3
92.79706	2.1
95.08604	6.8
107.08582	5.9
107.52413	2.3
109.10137	8.0
119.08583	3.2
121.10151	3.2
131.08542	2.8
135.08043	3.5
137.09616	9.2
149.09636	11.9
158.07422	2.7
161.09634	2.3
163.11197	19.5
164.08421	2.9
165.09119	100.0
167.05576	3.7
175.11203	4.0
177.09105	14.2
177.12669	2.6
191.10670	12.4
205.12280	8.9
219.13815	7.8
303.23184	3.8
364.79825	2.7
411.36060	3.5
429.31775	12.0
429.37259	31.2
430.37900	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	429.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	12.4
60.83396	5.1
61.55238	5.1
71.08616	8.9
71.10903	13.7
107.08585	5.9
109.10181	5.8
137.09576	10.8
149.09621	7.4
160.11830	6.3
163.11208	15.1
165.09105	100.0
169.84349	5.6
177.09178	6.5
191.10634	7.6
238.82744	5.1
429.32611	29.7
429.36267	28.7
430.38022	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	429.3724
Annotation	(3beta)-28-Norlup-20(29)-ene-3,17-diol
Peak:m/z	Relative Intensity
57.07076	10.9
67.05499	13.0
69.07062	11.1
70.02162	27.1
71.08627	6.7
79.05473	10.6
81.07033	12.7
91.05473	9.7
93.07059	11.5
95.08610	25.5
97.10130	6.6
105.07011	16.4
107.08608	8.5
109.10136	16.0
119.08582	11.4
121.10132	14.3
131.08546	11.2
133.09088	5.8
133.10001	9.8
135.11678	9.9
157.10147	8.8
159.11668	10.1
163.11183	7.9
165.09180	7.9
171.11623	7.1
207.13780	10.3
320.32507	6.4
393.35168	13.4
411.36179	100.0
429.32037	8.9
429.37115	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3364
Annotation	Variecoacetal B
Peak:m/z	Relative Intensity
55.05503	6.4
57.07061	6.1
58.82207	1.7
67.05510	3.6
68.69859	1.9
69.07059	5.4
71.08625	6.0
71.59101	1.9
71.59560	2.0
75.61910	2.0
78.05379	1.7
79.05496	3.2
81.07056	6.6
83.08633	8.2
91.05450	4.7
93.07053	13.9
95.05008	2.2
95.08625	7.3
97.10182	5.2
105.07034	6.3
107.04349	1.7
107.04961	9.3
107.08581	8.1
109.06527	2.8
109.10174	5.5
113.00018	10.7
117.07043	2.5
119.08583	6.8
121.02886	2.1
121.06512	4.9
121.10158	4.2
126.03104	1.9
129.06985	1.8
131.08568	2.9
133.10162	4.6
135.08080	4.9
143.08623	3.0
145.10103	3.2
147.11700	2.1
147.29077	2.0
149.02473	2.2
149.09666	3.3
151.11111	1.9
155.08635	1.8
159.08084	4.1
159.11717	2.4
163.07622	2.0
169.02614	7.8
169.10168	1.8
173.09656	2.7
173.13170	1.9
174.38512	1.6
179.14262	2.1
188.77763	1.6
201.12775	2.2
201.16551	2.3
212.15230	1.7
225.16193	2.0
229.15962	2.4
247.13245	2.0
247.17113	3.3
251.17633	2.1
261.18604	6.7
261.21973	2.4
266.60034	1.7
268.34442	1.9
275.16364	12.5
303.23151	23.6
376.55185	1.7
381.80353	1.6
387.32703	4.1
393.31479	2.5
429.33652	100.0
430.33951	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	429.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.4
56.96572	0.4
57.03097	0.4
67.05508	0.9
69.79662	2.7
70.06593	1.5
72.08152	0.5
79.05495	1.0
81.07081	0.6
84.08157	0.6
86.06081	1.5
86.09706	100.0
87.10052	0.6
90.05609	0.6
91.05436	0.7
95.04951	0.5
98.20721	0.5
98.98457	0.9
100.97169	0.5
103.05476	0.9
104.10762	1.0
105.07031	0.9
107.04956	16.5
108.05305	0.6
114.05549	1.3
116.06183	0.5
117.07005	0.6
119.04906	0.6
119.99359	0.4
121.06517	0.9
131.04915	2.6
133.06503	0.8
141.06984	0.5
145.06502	1.5
156.01048	0.5
157.06639	0.5
165.06944	0.4
169.06493	1.0
184.07372	0.7
190.07796	0.6
194.07324	0.5
199.07491	0.5
199.14534	0.7
199.18062	1.6
202.07809	0.6
203.13902	5.0
207.08168	0.5
219.08009	0.8
221.09532	0.5
223.07664	0.6
225.09206	0.5
227.13907	18.8
227.17647	1.7
231.08066	0.7
233.09560	0.8
235.07590	0.6
237.09145	0.7
245.09680	0.6
247.11330	0.7
249.09219	0.5
250.09682	0.6
257.19046	0.5
261.09256	0.7
262.09879	0.5
263.10773	1.6
275.10730	1.4
287.10748	1.4
305.11783	1.5
312.22888	0.7
366.12381	0.5
381.14984	0.7
411.15845	1.1
429.17032	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.2
57.03437	5.1
57.07072	1.1
67.05503	10.1
69.07066	2.1
69.46938	1.4
69.47350	3.8
71.08614	0.8
71.88535	0.6
79.05489	10.4
81.07051	11.5
83.08606	1.4
85.10174	0.6
86.71964	0.6
86.72495	0.5
91.05459	5.1
93.07034	11.0
95.04946	1.0
95.08607	8.1
105.07021	4.7
107.08580	6.6
109.10150	4.1
113.00012	100.0
117.07005	2.3
119.08596	2.8
121.10143	5.9
123.11692	1.7
131.01028	0.9
131.08556	4.6
133.10112	2.5
135.11694	5.4
137.09641	0.7
137.13217	0.8
139.01518	0.6
145.10085	3.0
147.11670	2.1
149.09641	0.7
149.13252	5.2
151.14842	0.7
154.02637	0.7
155.01050	1.6
159.11688	2.9
161.13258	2.4
163.14821	3.6
165.12730	0.9
169.02605	92.9
170.02884	1.2
173.13225	2.7
173.14540	0.6
177.16380	1.0
187.14824	1.5
233.22607	2.0
243.21072	9.1
261.22137	23.2
262.22427	0.9
264.34738	0.6
275.23624	0.9
405.76974	0.6
429.23709	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.24
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63120	0.9
54.78745	0.9
55.05502	1.3
57.03436	5.1
57.07086	1.4
64.66839	0.9
67.05502	9.7
69.07066	3.0
69.33980	10.0
70.41117	0.9
79.05492	6.8
81.07048	11.7
83.08611	2.2
91.05456	5.5
93.07034	10.8
95.04958	1.0
95.08088	1.2
95.08608	7.9
105.07034	5.5
107.08594	6.9
109.10167	2.2
113.00018	100.0
117.07017	1.6
119.08566	2.9
121.10159	6.4
123.11671	1.5
131.08585	5.8
133.10136	3.3
135.11691	5.3
145.10127	3.2
147.11623	1.3
147.14624	1.1
149.13274	3.6
159.11690	3.9
161.13255	1.8
163.14825	3.4
169.02614	87.3
173.13287	2.2
187.14833	1.9
218.51315	1.1
233.22697	1.9
243.20995	7.2
261.22141	20.3
262.22247	1.3
275.23807	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26212	1.3
52.95615	1.4
53.03947	6.5
55.01868	5.0
55.05507	15.5
56.96552	2.1
57.03434	15.5
59.04997	1.7
61.02914	3.8
65.14386	1.2
67.05500	18.9
68.77312	1.6
69.03428	27.9
69.07064	6.9
69.11422	1.3
71.04992	6.3
71.21352	1.6
73.02921	3.7
73.12559	1.3
79.05492	19.2
81.03415	83.4
81.07053	18.1
83.01347	1.5
83.04977	20.3
83.08614	18.2
83.09060	2.3
85.02900	25.7
85.06531	2.3
87.04491	1.8
91.03935	1.3
91.05464	20.7
93.07023	14.4
95.04968	26.4
95.08621	6.2
97.02887	49.1
97.06532	3.1
97.10178	5.3
99.04463	4.9
99.08070	2.1
101.02385	3.3
103.03989	2.1
105.07030	16.0
107.04949	10.5
107.08622	9.3
109.02888	12.1
109.06548	4.2
109.10152	5.8
111.04440	9.0
111.08078	11.0
113.06069	1.5
115.05450	2.7
117.07011	2.7
119.08576	14.8
121.06481	3.6
121.10119	9.2
123.04436	1.6
123.08112	2.2
123.11710	1.8
125.09643	3.9
127.03912	13.6
129.05505	5.1
129.06970	7.8
129.82054	1.5
131.08568	9.4
133.06535	2.9
133.10153	7.6
135.08057	2.0
135.11716	2.5
137.06021	2.4
137.09714	1.7
142.07745	2.3
145.04980	2.3
147.08084	4.2
147.11688	16.7
149.02342	2.3
149.09595	8.0
157.06512	2.5
157.10103	13.3
159.06648	1.4
163.11230	2.5
165.12859	3.7
171.11725	2.2
175.11154	16.8
181.12230	3.0
183.06604	2.2
189.11227	1.9
191.10718	3.0
193.04999	3.6
193.10402	1.7
193.10712	0.8
193.12225	60.7
211.13277	100.0
212.13760	2.2
225.31927	1.5
227.12782	3.5
229.14482	4.0
235.11131	1.4
235.13380	2.6
249.14870	7.6
249.78398	1.3
267.15985	3.5
285.16913	17.2
298.97247	1.3
313.16757	2.1
337.16470	1.6
355.17657	4.8
381.19379	2.0
411.20642	4.6
429.12039	2.6
429.21246	61.4
430.21771	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.3
55.01866	2.9
55.05501	3.1
57.03429	2.9
65.03943	2.8
67.05505	7.9
69.07072	3.1
70.06580	1.2
70.30753	0.7
71.05000	1.1
71.58961	1.3
72.08175	1.1
73.45991	0.6
77.47108	0.6
79.05492	7.9
81.03405	0.9
81.07054	8.1
83.04962	1.4
83.08605	0.8
84.08168	1.3
85.06556	0.8
86.09724	0.8
91.03711	0.6
91.05463	14.5
93.07051	7.1
95.04972	5.5
95.08587	4.8
97.10147	0.7
98.98473	20.5
103.03951	0.8
103.05477	3.9
105.04541	0.8
105.07032	14.0
107.04956	100.0
107.08587	3.9
108.05286	2.2
109.10139	2.1
112.11232	0.8
115.05442	3.1
116.99499	0.9
117.07021	16.0
118.55054	0.9
119.04946	3.8
119.08582	9.3
121.02885	2.9
121.06503	9.4
121.10159	1.6
123.04405	0.9
125.09550	0.7
128.06227	2.5
129.05515	1.5
129.06996	6.8
130.07841	1.4
131.04927	21.5
131.08571	15.2
132.05731	1.1
133.06522	4.2
133.10143	6.2
135.08014	1.1
135.11682	1.4
139.03864	1.1
141.07011	2.5
143.08542	4.5
144.05711	1.3
145.06470	7.5
145.10127	15.5
147.04358	0.7
147.08034	1.1
147.11703	5.7
149.02347	24.6
149.03340	1.0
149.06018	1.7
150.02695	0.9
153.07027	1.4
155.01082	2.2
155.08568	3.8
157.06474	4.3
157.10129	4.0
158.07150	0.7
159.08051	2.7
159.11697	13.4
161.09654	1.1
161.13292	3.1
163.70815	0.6
165.07002	1.4
166.07753	1.0
167.08606	0.8
169.06516	3.2
169.08928	0.7
169.10136	4.2
171.08060	1.4
171.11673	4.4
173.02159	4.2
173.05981	0.8
173.13272	11.2
175.11133	0.9
177.12701	1.1
178.07834	0.9
179.08504	1.3
181.06473	4.1
182.07288	0.9
183.08060	4.0
183.11652	3.7
185.05980	1.2
185.13234	2.0
187.11238	1.9
187.14732	1.1
190.07785	0.9
191.08482	1.1
193.04971	14.7
194.07249	1.1
195.08089	2.3
197.13261	3.0
199.07578	1.8
201.12820	1.2
201.16441	1.6
202.07849	1.7
203.08528	2.3
205.06612	0.9
207.08148	3.3
208.08804	1.2
209.06062	1.3
210.06714	1.7
211.14935	1.0
213.16431	2.7
215.08568	2.2
215.14372	0.8
215.18024	4.5
217.10274	1.4
218.07281	3.0
219.08147	3.3
219.17413	1.8
221.09618	3.8
223.07549	2.3
225.09055	2.3
229.10208	1.8
229.19533	5.4
229.66608	0.8
231.08095	4.8
232.08893	2.3
233.09578	4.7
234.06668	1.6
235.07576	2.7
235.11113	1.7
236.08369	1.1
237.07275	1.5
237.09518	3.3
239.17969	12.7
241.10260	1.3
243.08101	1.3
244.08817	2.5
245.09631	2.6
246.10379	1.6
247.07509	3.5
247.11375	1.4
248.08311	2.1
249.09200	4.5
250.09964	0.8
251.10844	1.2
256.08801	1.0
257.09613	1.6
257.19012	29.2
258.19473	0.9
259.11295	1.1
260.08386	1.9
261.09113	6.6
262.09882	2.3
263.10693	8.5
269.09686	1.6
271.07593	1.9
272.08319	1.3
273.09158	1.7
274.09872	2.0
275.10678	12.6
275.20047	5.4
276.11304	1.4
281.09753	1.0
285.08957	1.1
286.09955	1.2
287.10709	10.8
288.11115	0.9
289.12329	1.7
293.11710	2.5
299.10745	1.2
305.11810	7.8
317.11826	2.8
323.10529	1.0
325.12289	0.7
329.11765	1.6
331.11139	0.9
331.22638	9.5
336.11523	1.3
337.12024	0.9
339.10013	1.1
341.06693	1.9
341.11743	4.8
349.12228	1.3
349.23828	0.9
359.03012	1.2
359.07700	1.2
365.11530	1.7
366.12701	1.2
369.14905	4.0
377.11786	1.5
378.12488	1.1
381.14890	5.9
383.16586	0.9
385.09106	6.2
393.14783	5.9
399.15912	1.9
403.10175	1.6
411.15729	4.3
429.11847	15.3
429.16812	1.7
429.20856	2.2
430.12390	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	429.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.01864	1.1
55.05500	1.8
56.05027	2.7
58.06596	2.8
58.99575	1.8
60.04517	1.6
63.94829	0.5
65.18488	0.5
67.05494	0.7
68.05016	1.4
69.03394	0.6
69.07058	0.6
69.74924	1.2
69.75332	2.7
70.06594	28.9
71.06902	1.0
72.08158	7.8
74.06079	0.9
76.02227	9.3
76.03997	1.1
79.05482	1.9
83.06113	1.0
84.04514	8.3
84.08144	9.3
85.02921	0.5
85.07668	36.6
86.06071	2.8
86.09705	8.0
87.05607	0.6
87.10039	0.6
88.02204	2.1
88.03977	1.0
90.30051	0.5
91.05433	1.9
91.05865	1.4
92.34034	0.5
93.07056	1.6
95.04954	1.6
96.04489	0.7
98.06062	1.2
98.20744	0.7
99.05571	0.5
101.07103	0.6
102.05569	2.8
103.05447	2.4
104.10746	1.1
105.04619	0.5
105.07060	0.6
107.04957	39.1
108.05299	0.7
110.07155	4.0
111.04437	0.7
112.11263	0.8
114.05548	2.0
116.01675	3.3
116.06295	0.5
116.07109	1.4
117.07011	1.1
119.04934	1.5
120.08112	1.3
121.06490	3.9
123.04429	9.9
124.99950	0.6
128.06232	1.3
129.07025	4.3
129.10228	5.0
130.05049	3.1
131.04935	9.9
131.08163	100.0
132.05730	3.7
132.08514	0.7
133.06487	1.7
136.07591	0.8
138.05530	1.2
139.05830	0.5
142.03223	0.6
144.01173	1.5
145.06480	5.5
146.92152	0.5
147.07967	1.2
149.04762	1.2
149.06003	2.8
152.59120	0.5
157.06470	6.4
158.02710	0.7
162.02238	5.2
163.07529	4.0
167.05562	1.3
169.13383	0.9
170.02808	0.6
175.07536	3.8
177.03328	1.9
179.03387	0.9
179.04846	8.1
184.07379	1.2
191.04906	0.6
196.06081	0.7
197.04558	0.7
198.05888	0.8
201.08568	0.5
202.08342	0.7
203.10258	2.0
205.08553	0.8
217.11855	1.3
233.05927	1.5
246.50433	0.5
251.08052	0.5
251.10655	2.8
299.06873	0.8
300.07281	1.5
308.09119	1.7
359.02792	2.4
429.20538	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19992	0.6
53.03941	1.1
53.34607	1.0
55.01863	1.3
55.05496	1.5
56.05040	3.4
56.73448	0.6
58.06607	3.2
59.06118	0.9
60.04520	1.3
60.32470	0.7
67.05499	0.8
68.05035	1.7
69.03429	1.2
69.07079	1.2
70.02951	0.9
70.06594	30.4
71.57598	1.3
72.08156	9.5
73.04761	1.0
73.68008	0.6
74.06078	4.2
76.02215	1.0
79.05511	1.6
81.03417	2.1
82.06583	1.3
83.06123	1.6
84.04516	7.0
84.08146	13.8
85.02892	2.1
85.07671	36.9
86.06066	2.3
86.09713	12.0
87.05585	1.4
88.03991	2.1
88.07648	0.7
91.05367	1.1
91.05785	4.3
93.07043	1.9
95.04981	2.6
96.04498	1.4
98.06047	3.2
102.05539	2.3
103.05460	3.4
105.07033	1.4
107.04956	43.8
108.05312	0.7
110.07181	4.8
112.07547	0.8
112.08790	1.1
112.11253	1.4
114.05520	1.1
115.05466	0.8
115.08706	1.4
116.07098	3.9
117.07020	2.1
119.04972	1.2
120.08109	5.6
121.06493	4.7
127.08624	0.7
128.06235	1.1
129.07021	5.1
129.10242	6.0
130.05013	1.5
131.04944	10.0
131.08167	100.0
132.05711	4.7
133.06490	1.4
134.08131	1.6
136.07562	1.5
145.06497	7.2
149.05974	2.4
150.07774	1.7
157.06505	8.1
163.07523	4.3
166.08656	2.3
167.05510	1.9
169.06229	0.9
171.43146	0.7
175.07503	3.9
177.00729	0.8
184.07327	1.2
187.10899	0.7
197.12918	0.8
203.10255	0.8
249.12233	1.1
251.10733	2.8
267.13409	2.1
291.13217	1.4
301.12180	0.7
309.14502	1.6
324.11496	1.1
353.53320	0.8
359.02838	2.8
390.90555	0.7
411.33441	1.6
429.14706	1.6
430.16165	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.3
56.96537	0.9
57.03440	0.7
61.02911	1.3
67.05495	1.3
69.03397	0.6
69.07053	0.7
71.11633	0.9
73.02901	0.9
73.75040	0.4
79.05497	2.3
80.21001	0.4
81.03414	2.4
81.07043	1.4
83.04968	0.5
83.08615	0.7
85.02898	1.1
91.03940	0.7
91.05460	2.1
93.07020	1.6
95.04974	1.1
95.08588	1.0
97.02901	0.7
99.48363	0.5
105.07006	1.3
107.04939	7.8
107.08582	0.8
109.10201	0.6
119.08579	0.8
120.08106	0.7
121.02869	1.7
121.06499	0.9
121.10136	1.0
127.03857	0.7
129.06982	0.7
131.04829	0.4
131.08563	0.8
133.08929	0.5
147.11696	0.9
149.01083	0.4
149.05890	0.6
152.07051	0.7
157.06454	0.6
163.03879	0.7
166.08585	0.8
172.52042	0.5
175.11227	0.5
183.06674	0.6
187.04097	0.6
193.12242	1.0
196.11147	1.0
197.08304	1.1
198.09146	1.9
199.09914	4.8
200.10632	0.9
207.54872	0.5
210.09048	0.8
211.09959	1.6
212.10684	9.9
213.05450	0.6
213.11340	1.8
226.12215	4.2
227.12627	0.7
228.12856	0.7
237.09029	0.7
239.09348	0.7
254.11719	3.8
257.10446	13.0
261.09000	0.8
269.10150	0.4
271.12021	1.1
272.12781	100.0
273.12933	6.5
275.10727	0.6
381.23779	0.6
400.18118	0.5
411.18051	0.7
429.13788	0.8
429.19070	3.6
430.18854	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
63.56854	0.4
64.92406	0.4
81.07053	0.7
93.07027	0.5
105.07011	0.5
105.61109	0.4
107.04907	2.0
120.08093	0.9
132.95776	0.6
152.07100	1.0
158.97406	0.5
166.08702	0.4
196.11177	1.6
197.08366	1.2
198.09157	3.4
199.09911	5.3
200.10664	1.0
210.09109	0.5
211.09866	1.4
212.08778	0.8
212.10683	9.1
213.11336	2.2
226.12231	3.4
227.12549	0.7
228.12823	0.6
234.98978	1.2
254.11780	3.8
257.10449	12.1
271.11929	1.3
271.73267	0.4
272.12784	100.0
273.12933	5.2
327.08768	0.4
429.12796	0.5
429.18878	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	429.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71784	0.7
58.24449	0.7
67.05502	0.8
69.03406	0.9
70.70313	0.9
70.91238	1.7
74.31945	0.7
79.05472	2.3
81.03400	1.9
81.07021	1.2
83.23444	0.7
91.05444	0.9
95.04944	3.3
98.97579	1.1
107.04944	4.9
120.08096	1.3
123.04449	0.9
136.07637	1.1
152.06993	0.9
166.08519	0.9
197.08289	0.8
198.09152	2.1
199.09900	5.4
200.10657	1.6
207.29440	0.8
211.09822	1.5
212.10699	8.5
213.11334	2.3
226.12138	3.8
227.12569	1.0
235.13306	1.6
254.11766	3.1
257.10458	12.4
271.12091	1.1
272.12784	100.0
273.12787	5.8
335.84549	0.9
411.18109	1.8
429.19250	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	429.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.7
55.05504	1.1
56.96554	0.6
57.03428	1.1
58.04210	2.8
67.05490	2.3
69.03400	0.8
70.06583	3.1
71.04987	0.7
71.60176	1.0
72.08151	0.6
73.02908	11.0
73.06567	0.6
73.11421	0.5
74.03246	1.0
75.55138	0.5
79.05486	1.4
80.05493	4.1
80.55659	1.1
81.03407	1.7
81.07050	1.4
84.08137	0.9
85.02872	1.3
86.09697	3.2
87.04462	2.8
89.06020	24.1
90.06355	3.1
91.05454	2.5
93.07021	1.5
95.04936	1.2
95.08588	0.8
97.10146	0.5
98.97579	0.7
102.06777	3.1
105.07041	0.7
107.04948	7.8
107.08582	0.6
110.06043	0.7
112.29366	0.6
116.98640	0.6
120.08096	1.7
121.06537	0.8
121.10123	0.6
124.08104	1.5
129.06937	0.7
131.04929	0.6
133.08595	8.6
133.10094	0.6
133.58725	0.6
134.08913	1.2
146.09331	0.5
147.11670	0.6
148.64586	0.5
149.09596	0.7
152.07101	0.6
155.09901	0.9
163.03876	1.3
169.06525	0.8
171.08003	0.7
173.02301	0.8
173.05885	0.8
177.00659	0.6
177.11192	2.1
184.07420	0.7
185.12817	0.8
187.03886	0.8
187.07445	0.5
196.11215	0.6
197.05960	0.7
197.08293	1.2
198.09181	3.0
199.03786	1.2
199.09892	5.4
200.10657	0.9
201.29321	0.6
211.09885	1.5
212.10687	9.5
213.05498	1.5
213.11359	2.1
221.13760	0.7
226.12224	4.1
227.12616	1.1
243.08638	1.0
254.11694	3.2
257.10434	12.2
267.13977	0.7
271.12033	1.1
272.12775	100.0
273.12863	5.7
293.11627	1.0
311.12662	0.7
324.10480	1.4
324.60684	0.7
355.15237	1.0
411.18393	1.2
429.19128	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	429.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.4
55.01838	0.4
55.41013	0.2
56.05024	0.5
56.96559	0.4
57.03421	0.4
59.12928	0.3
61.02903	0.5
69.03426	1.5
69.92000	0.5
69.92418	1.0
70.06583	1.4
77.03949	0.2
81.03403	0.6
84.04501	14.9
84.08136	0.4
85.02910	3.7
85.04851	0.4
87.04476	0.3
91.05389	1.9
92.57852	0.2
93.07037	5.6
95.04967	1.3
97.02879	1.3
98.97547	0.7
99.04404	0.4
102.05539	0.5
103.05457	3.4
107.04944	1.0
114.05424	0.3
116.98641	0.6
121.06496	100.0
122.06847	1.8
127.03889	0.6
130.04997	9.7
134.99617	0.3
136.06207	0.4
138.09129	14.2
145.04950	0.3
147.04343	0.2
158.99542	0.3
162.72064	0.2
163.07518	0.4
171.27263	0.3
177.00697	0.3
177.03307	0.8
183.95541	0.2
186.61743	0.2
191.99884	0.3
204.10263	0.8
221.12814	3.3
222.11205	0.3
237.02699	0.5
250.10748	9.8
258.06976	0.3
267.13385	35.5
268.13800	0.7
300.14362	1.9
309.14423	0.3
359.02808	0.4
366.15469	0.5
387.09543	0.3
411.17612	0.3
412.16064	2.3
429.18677	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	429.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.01867	0.9
55.05498	0.6
56.96559	0.4
57.03430	0.4
60.04496	0.4
65.03943	0.3
67.05517	0.5
69.03431	0.4
70.06591	2.8
70.29922	0.9
72.08148	1.0
73.04745	0.3
79.05516	2.1
79.05896	0.4
81.03415	0.7
84.04492	0.6
84.08143	1.3
86.09708	18.4
91.05386	0.7
91.05862	1.0
93.07021	0.7
95.04958	2.3
98.20880	0.4
98.97568	0.6
102.05541	0.4
103.05452	1.6
104.10774	0.6
105.07024	1.4
105.57074	0.4
107.04957	100.0
108.05288	0.6
115.05477	1.3
117.07022	1.3
119.04973	0.6
120.08064	0.6
121.02859	4.0
121.06527	1.0
123.04408	1.1
129.07024	1.0
129.10268	0.4
131.04953	2.9
131.08527	0.9
132.05702	0.5
133.06482	3.9
134.95616	0.3
141.06973	0.4
144.05733	1.4
145.06487	5.3
147.08078	1.0
149.05956	0.8
155.06021	0.5
157.06512	2.6
157.13362	3.3
159.08076	2.5
159.32176	0.3
165.07016	1.1
166.07770	0.8
169.06514	0.8
175.07634	2.6
178.07800	0.9
179.08545	0.9
181.06456	1.0
181.10143	0.6
184.07362	1.2
185.12856	4.2
189.07047	0.6
190.07805	0.6
191.08504	1.9
194.07266	0.9
195.08054	0.8
197.05937	0.7
199.18118	0.5
200.30057	0.4
202.07793	0.9
203.08490	0.7
205.08546	0.7
207.08118	1.1
209.05888	0.4
209.09645	1.2
215.08594	0.8
217.10115	0.4
218.07259	0.6
219.08054	4.2
221.09578	0.6
223.07512	0.6
225.09140	1.4
229.10181	0.5
231.08083	0.9
232.08754	0.5
233.09514	0.8
235.07596	1.6
236.08318	0.4
237.09102	14.7
239.10634	0.6
245.09616	1.1
245.18593	3.7
247.07588	0.8
249.09206	1.2
250.09801	0.5
251.10780	1.0
253.08629	1.2
255.08014	0.5
256.09064	0.7
257.09650	1.5
259.07864	0.5
260.08423	0.6
261.09143	1.8
263.10651	1.9
269.09714	0.9
271.11130	0.6
273.09076	0.7
274.09854	0.5
275.10727	5.0
277.12381	0.7
287.10675	4.0
289.12210	1.1
298.21472	0.8
317.11819	0.5
341.11774	0.5
353.11710	0.5
359.02960	0.5
361.03625	0.5
367.17441	0.5
369.14795	2.2
370.10889	0.4
381.14783	2.0
393.15005	0.7
399.15900	1.3
411.16025	1.6
429.17099	7.3
429.27252	0.9
440.13779	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
55.01857	4.5
55.05517	5.8
55.14798	1.2
56.96553	1.5
57.03429	5.4
67.05505	12.9
69.03408	1.5
69.07058	4.3
69.26780	6.6
69.27203	6.1
70.06572	4.5
72.08161	1.6
79.05496	14.1
81.03405	2.9
81.07063	12.9
83.04997	2.3
83.08604	3.4
84.08112	2.2
86.09686	3.4
91.05408	14.0
93.07045	11.7
95.04971	5.4
95.08608	8.0
97.06527	2.9
98.20692	2.5
98.98467	28.5
103.05455	4.4
105.07026	21.6
107.04955	100.0
107.08575	6.4
107.11652	1.2
109.06483	1.7
109.10143	4.2
110.07211	1.4
115.05479	3.3
116.99472	1.1
117.07021	19.5
119.04956	1.7
119.08571	11.9
121.02865	5.6
121.06504	7.3
121.10126	5.2
123.11726	1.6
128.06209	3.4
129.06993	8.1
130.06546	1.7
130.07732	1.6
131.04939	9.8
131.08568	23.8
133.06482	4.2
133.10136	9.2
135.08026	2.5
137.09665	1.3
141.07010	3.5
142.07800	2.4
143.08551	4.7
144.05675	1.2
145.06444	5.7
145.10133	20.6
147.08017	1.8
147.11682	5.8
149.06013	2.4
149.09639	1.9
153.09116	5.2
155.01070	6.8
155.08537	4.1
157.06473	4.7
157.10143	5.2
159.08026	3.5
159.11691	20.8
161.09598	1.9
161.13228	2.8
163.11238	1.4
165.07022	1.9
167.08556	1.5
169.06458	2.9
169.10101	5.8
171.08064	1.3
171.11661	6.2
173.02118	6.3
173.09538	1.6
173.13255	17.1
175.14850	1.4
176.37222	1.4
178.07709	2.6
179.08556	1.7
181.06483	1.6
183.08032	1.7
183.11679	4.3
184.07356	1.6
185.13231	4.0
187.11198	3.0
189.12732	1.5
191.08475	2.1
193.10072	1.4
194.07251	2.1
195.08197	2.0
197.13310	4.1
201.12737	3.3
202.07777	1.8
203.08588	1.6
203.14442	1.6
207.08054	3.4
207.11911	1.3
209.09680	3.0
211.07492	1.3
213.16341	2.4
215.08644	2.2
215.14328	1.5
215.17989	5.3
218.07239	2.9
219.08080	4.6
219.17509	2.4
221.09570	3.0
223.07571	2.0
225.09021	2.7
229.19562	7.8
231.08098	4.2
232.08780	2.3
233.09584	3.4
234.06940	2.1
235.07556	3.5
237.09131	8.2
239.17924	16.3
243.08148	1.7
245.09692	3.2
247.07559	2.4
249.09062	3.9
255.07887	1.4
257.09610	2.4
257.19006	41.2
259.11304	1.3
260.08258	1.9
261.09097	6.6
263.10605	4.9
269.09671	1.8
275.10669	7.5
275.19980	8.0
287.10568	4.7
293.11859	1.6
305.11841	2.2
307.09799	1.8
313.21643	1.6
317.11823	1.8
331.22629	9.5
357.11133	2.5
359.02939	2.3
366.12469	1.6
369.14706	3.3
381.14923	4.7
393.14713	2.0
399.15808	2.0
411.15695	3.8
411.20236	1.9
429.21375	8.7
430.19626	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31454	1.1
53.03940	1.8
55.01870	1.8
59.50959	1.1
69.80354	2.5
69.80768	4.8
76.43221	1.1
79.05488	2.0
88.57060	1.2
91.05464	2.1
95.04972	3.9
103.05488	3.5
107.04951	100.0
113.92012	1.3
115.05460	8.5
116.06225	2.1
117.07026	4.3
119.04941	1.6
121.02813	1.3
121.06535	2.7
128.06253	3.5
129.06995	8.6
131.04936	15.8
131.05862	1.9
132.05772	1.9
133.06500	2.9
141.06979	4.5
143.04961	4.6
144.05710	4.7
145.06474	19.1
149.06015	6.6
155.04887	2.0
157.06497	12.5
165.06944	2.2
169.06509	18.6
173.06023	1.6
178.07785	3.4
179.08539	3.1
181.06465	1.9
190.07802	3.9
191.08609	2.9
194.07336	2.9
195.08087	1.9
202.07744	3.0
203.08591	5.4
204.09396	4.1
205.10062	2.5
206.07428	1.5
207.08092	5.1
210.06673	1.3
215.08583	6.7
218.07318	3.3
219.08090	6.9
219.11775	1.7
221.09615	4.7
223.07494	2.6
225.09036	14.3
228.09302	1.8
229.10223	2.4
231.08115	5.6
232.08865	6.3
233.09625	3.8
234.06812	1.9
235.07614	2.9
237.09111	20.4
243.08067	2.0
244.08867	4.2
245.09665	2.9
246.10362	1.6
247.07573	2.5
247.11221	5.5
249.09190	10.5
250.09929	3.9
255.07800	1.6
255.10271	1.9
257.09695	3.5
257.43991	1.3
259.11218	1.6
260.08270	2.9
261.09058	16.3
262.09940	5.3
263.10617	4.3
275.10638	35.0
287.10754	5.0
303.51031	1.3
305.11700	4.0
369.14935	3.2
381.14783	13.1
389.91049	1.4
393.14731	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	429.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
55.01874	4.8
55.05510	13.9
57.03438	10.0
60.08181	1.9
67.05508	17.9
69.03400	2.2
69.07062	7.8
70.06592	5.9
70.84309	5.7
71.51436	1.6
72.08149	4.0
77.27554	1.9
79.05488	23.2
81.03452	3.1
81.07059	26.3
83.04985	2.5
83.08618	4.0
84.08162	4.4
86.09705	5.8
86.95536	1.8
91.05444	37.9
93.07044	23.5
95.04981	8.4
95.08599	15.7
97.06515	2.2
98.98463	62.6
101.33426	1.7
103.03933	3.3
103.05493	5.6
105.07034	37.9
107.04956	73.9
107.08579	10.9
107.50832	1.8
109.06494	2.6
109.10157	7.1
111.08006	1.7
112.86666	2.0
115.05451	5.4
116.06226	3.5
117.07030	38.4
117.21362	1.8
119.04961	3.7
119.08579	27.7
121.02885	3.3
121.06528	8.1
121.10143	6.2
123.08051	2.4
128.06210	4.6
129.05466	6.2
129.06996	14.0
129.37070	1.9
130.07816	4.3
131.04942	9.7
131.08568	48.9
133.06502	5.8
133.10126	20.5
135.08060	2.5
135.11694	4.6
141.07014	6.1
142.07799	3.3
143.08536	12.6
145.06482	10.2
145.10121	47.5
147.08025	3.4
147.11707	12.7
149.05988	3.5
149.09720	4.4
149.13336	2.5
153.09125	6.1
155.01060	9.5
155.07367	1.8
155.08582	10.2
157.06528	3.1
157.10141	17.8
159.11684	42.8
161.05988	2.1
161.09581	4.2
161.13264	9.2
163.11217	3.2
167.05557	2.3
167.08505	3.3
168.09314	2.3
169.08809	2.0
169.10106	9.4
171.10483	2.0
171.11662	11.7
173.02127	14.7
173.09671	3.4
173.13252	36.5
175.11234	3.8
175.14751	2.7
177.12697	3.2
177.81120	1.9
183.11713	9.4
184.07347	6.5
185.13284	8.2
187.11218	6.2
187.14845	4.8
189.07150	2.0
191.14278	2.5
197.13327	8.3
199.14952	2.4
201.12837	3.7
201.16457	1.9
203.08424	3.0
207.08018	3.2
211.14810	2.6
213.16394	7.3
215.08586	2.5
215.14345	3.7
215.17938	15.3
219.08113	6.4
219.17519	2.0
223.07541	2.7
229.19545	15.6
233.09592	3.4
235.07475	2.4
237.09154	4.5
239.06909	2.3
239.17952	38.3
245.09726	4.3
247.07430	3.2
249.09120	2.5
251.07024	2.3
257.19012	100.0
259.07486	3.4
261.09171	8.3
263.10693	5.2
273.09097	3.1
275.10626	4.0
275.20016	18.9
287.20151	3.0
291.10098	3.6
313.21631	5.6
331.22687	32.4
349.22964	2.1
359.02521	3.4
365.11774	2.5
367.13544	2.0
429.21094	13.6
430.20667	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	429.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	11.8
55.05500	7.0
64.54978	5.1
67.05483	10.6
69.07061	10.5
69.65154	40.4
70.06579	11.3
70.84764	5.6
72.08148	6.6
73.66415	5.1
79.05509	13.1
81.07050	12.1
84.08112	6.6
86.09696	9.6
88.69222	6.4
91.05431	32.9
93.07032	16.1
95.08584	14.3
98.98464	28.6
101.43445	6.1
103.05489	14.6
105.07020	23.9
107.04948	67.1
107.08610	14.1
109.10153	10.0
115.05451	25.7
117.07030	40.5
119.04938	13.6
119.08575	18.0
121.06458	13.2
121.10136	6.3
128.06207	18.8
129.07018	50.0
131.04935	100.0
131.08551	25.1
131.44876	6.8
132.05717	14.0
133.06470	15.9
133.10097	15.8
135.11723	9.5
141.06975	18.4
143.08586	8.4
144.05728	12.5
145.06480	59.0
145.10146	18.6
147.08011	15.3
147.11661	5.9
153.09097	9.2
155.08511	8.1
156.09311	5.6
157.06462	71.3
157.10118	13.7
159.08031	19.5
159.11691	17.7
161.09607	18.6
165.07016	17.8
166.07741	13.2
169.06517	72.4
171.08011	9.7
173.09647	10.7
173.13254	15.0
175.07576	9.3
178.07822	21.3
179.08543	13.9
182.07332	6.9
183.08038	8.1
187.07535	8.3
190.07764	13.3
191.08565	21.3
194.07292	15.4
195.08064	6.7
197.06044	9.3
197.13252	7.0
202.07758	7.1
203.08597	14.4
207.08047	13.8
209.09450	13.4
211.07513	8.8
215.08604	15.9
218.07169	11.6
219.08031	39.2
221.05946	6.4
221.09549	8.2
223.07555	13.2
225.09171	7.3
231.08089	14.0
233.05948	7.3
233.09547	21.7
234.06721	7.1
235.07481	59.1
237.09123	90.1
239.06914	13.8
239.10706	9.6
239.18002	15.2
243.08125	10.1
244.08740	8.0
245.09615	12.5
247.07581	8.7
249.09103	29.7
251.07132	10.5
255.10239	13.6
257.19046	40.6
259.07620	10.3
260.08228	8.1
261.09134	51.6
262.09808	16.5
263.10672	13.3
275.20099	11.5
307.11200	6.0
331.11209	8.7
331.22565	13.0
335.10620	9.8
359.02597	7.6
363.13535	7.3
365.11395	9.3
365.15341	17.6
375.13794	7.2
381.14923	36.6
393.14893	36.8
399.15936	31.4
411.15860	21.7
429.21017	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	428.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.0
53.03952	3.0
55.01857	2.4
55.05264	1.2
55.05509	17.9
57.03423	1.0
57.07074	8.1
67.05500	7.3
68.05030	0.6
69.03410	1.5
69.07064	25.7
69.74220	1.6
69.74629	2.6
70.04060	1.0
70.07399	0.9
70.07843	1.6
71.08624	9.7
77.03958	1.0
79.05487	10.2
80.05022	2.9
81.07059	5.2
83.04980	1.1
83.08614	7.9
91.05476	11.5
93.07036	19.6
95.04962	6.4
97.10166	15.5
99.08091	5.5
103.05466	13.6
105.04492	1.2
107.08587	7.5
108.21690	0.6
109.10168	0.9
115.07540	5.3
117.07041	1.3
121.06496	100.0
122.06821	1.1
125.09615	10.7
126.99477	1.4
129.01030	2.4
135.08051	2.6
138.12764	4.1
141.01006	3.1
143.00772	1.3
143.10684	0.8
150.10287	1.0
152.35901	0.6
153.09111	2.1
155.02525	1.3
162.10278	1.9
164.10693	10.6
189.11205	7.6
192.13814	4.8
197.07274	8.5
198.07718	0.8
199.06982	5.4
200.10677	4.2
245.03088	0.8
258.18527	22.8
262.21786	0.8
284.16437	6.7
290.21133	3.1
308.22305	1.8
312.19562	29.0
313.19907	1.0
330.20618	6.2
374.16385	2.9
392.25720	2.5
410.14816	4.2
410.26862	73.0
411.27106	4.3
413.12000	0.6
428.13623	3.0
428.27936	34.6
429.28314	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90059	0.7
53.03942	1.9
55.01854	1.8
55.05510	0.9
60.93983	0.8
65.03928	3.9
67.05511	2.0
69.07098	1.0
70.05124	3.4
70.06568	0.8
75.06984	0.7
79.05507	3.6
81.03410	2.3
81.07070	1.1
91.05433	4.5
93.07038	1.5
95.04945	4.3
98.98459	3.0
100.55355	0.7
103.05466	8.5
105.03383	1.2
105.07035	3.3
107.04956	100.0
107.08589	1.0
108.05281	1.2
109.02890	0.9
115.05486	5.3
116.06233	5.0
117.07036	10.3
119.04934	1.4
119.08566	1.5
121.02895	4.2
121.06483	1.6
123.04416	2.4
129.07036	2.2
131.04933	16.7
131.08578	4.4
132.05710	4.8
133.02939	0.9
133.06480	5.0
133.10118	1.4
137.02332	1.7
139.03906	2.8
144.05722	2.1
145.06511	6.3
145.10118	2.1
147.04422	2.1
147.08069	1.2
149.02348	95.8
149.03386	4.2
149.05980	2.3
150.02675	1.9
157.06467	3.0
158.07193	1.1
159.04448	2.7
159.08064	3.4
159.11693	1.8
161.06009	1.2
169.06479	1.0
173.05989	1.3
173.13252	1.4
175.03961	2.9
175.07605	1.9
177.05508	5.3
189.05424	0.8
191.07043	1.6
193.04970	86.1
194.05309	2.0
194.07219	1.0
194.58226	0.8
215.08626	0.9
219.06535	2.7
219.08395	1.1
225.05441	1.0
233.09764	0.8
235.07683	1.2
237.07329	27.0
239.17946	1.5
249.09232	2.1
250.09822	1.4
251.07005	1.0
253.08592	1.2
253.68582	0.8
255.10204	1.8
257.18918	3.5
261.09265	1.7
263.10809	1.8
269.04523	1.7
275.10611	2.0
275.20096	1.6
283.09689	1.5
285.10938	1.3
287.10706	2.7
297.04001	3.2
305.11560	0.8
313.07089	4.4
313.10422	1.0
331.22653	1.7
341.06549	13.5
359.07544	8.4
369.19412	1.2
381.15002	1.2
383.33643	0.8
385.09158	30.6
386.09476	1.4
403.10126	1.0
405.65674	0.8
411.15854	1.0
429.11819	98.5
430.12158	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	428.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.2
69.03390	2.4
69.07066	5.2
69.97285	9.2
69.97688	3.8
70.06599	5.4
84.08105	2.3
85.02901	2.9
86.09707	100.0
93.52357	2.0
132.10210	79.5
136.06201	8.8
143.05624	12.2
174.31126	2.0
213.34587	2.1
219.52324	2.0
220.92488	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.4
53.03941	1.0
53.76938	0.2
55.01854	0.3
55.05501	0.5
56.96558	0.7
57.03434	0.3
62.16563	0.2
62.65300	0.2
65.64957	0.2
67.05505	0.8
69.03422	0.4
69.07069	0.5
70.06585	0.9
70.88737	0.4
70.89111	0.4
71.04988	0.3
72.08156	0.5
75.14881	0.2
77.03916	0.3
79.05483	1.9
81.03404	1.0
81.07055	0.9
82.06573	0.8
83.04956	0.3
83.08615	0.4
84.04546	0.2
84.08116	0.4
85.02905	0.7
86.06084	0.3
87.04469	0.9
89.06032	0.3
91.05495	1.0
93.07037	1.1
95.04969	2.1
95.06062	0.4
95.08586	0.5
98.06073	0.3
98.97533	0.4
103.05486	0.4
105.04499	0.4
105.06988	0.4
105.47015	0.2
107.04951	100.0
108.05305	1.4
108.08099	0.3
109.10155	0.3
110.09675	10.3
116.07087	0.3
116.98634	0.4
119.08599	0.2
120.08103	0.6
121.06508	3.3
121.10139	0.3
122.06044	0.3
122.09663	0.3
124.52773	0.2
131.00153	0.2
131.08525	0.3
144.10216	0.4
145.06415	0.2
147.11681	0.3
149.01215	0.3
163.03920	0.2
186.08830	0.2
197.08472	0.3
198.09174	0.6
200.10715	0.4
214.12245	2.3
216.13835	11.4
226.12289	0.6
228.13927	1.4
243.08987	0.3
272.12457	0.8
287.18515	0.5
292.13202	1.2
306.14981	0.7
320.16415	2.9
321.17175	1.4
322.17856	21.3
323.18356	0.7
324.10486	0.8
428.22150	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	428.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55646	0.6
55.05518	4.0
56.05012	1.0
58.06577	1.3
60.08159	13.7
62.06083	1.5
63.44353	0.6
67.05485	2.5
69.07048	0.9
70.06564	1.2
71.07372	5.7
71.17599	1.2
76.02199	0.6
79.05488	2.1
81.07038	2.3
83.08599	1.2
84.08119	1.1
86.09699	43.2
91.05467	0.9
93.07027	1.4
97.10149	2.7
98.98463	4.2
100.56023	0.7
104.10738	80.5
107.08590	1.9
114.91043	0.8
117.07027	0.9
124.99998	24.4
125.09647	2.5
129.10345	0.8
149.13228	0.9
184.07332	100.0
185.07648	1.2
189.11237	1.3
238.17905	0.8
245.13858	1.3
258.11194	0.9
269.17456	3.6
269.71899	0.6
374.17291	1.6
383.88437	0.7
392.18326	3.1
410.19333	5.5
428.14771	1.1
428.20447	15.3
429.20660	1.4
438.98312	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55502	0.9
55.05511	5.7
57.03434	6.2
60.08163	5.7
62.09993	1.0
67.05504	16.5
69.07076	5.2
69.61971	2.7
69.62398	6.0
70.06586	4.5
71.07331	1.4
72.08154	2.3
79.05494	10.8
81.07059	23.0
83.04989	1.8
83.08594	3.6
84.08136	2.3
85.06576	1.2
86.09704	30.5
87.10056	1.3
91.05494	5.8
93.07043	14.5
94.30273	1.0
95.04965	2.7
95.08598	5.0
97.06499	1.9
97.10157	1.6
98.98443	3.1
98.99046	1.1
104.10743	4.6
105.07050	2.0
107.08598	8.6
117.07008	3.1
120.08141	1.4
121.10136	3.0
123.11683	1.6
125.00003	20.3
129.10262	1.3
131.08568	2.9
133.10147	3.8
135.11722	3.0
137.53648	1.1
149.13284	6.4
159.11707	4.5
177.12746	2.5
184.07341	100.0
195.13820	4.4
197.57951	1.0
220.16855	1.6
238.17949	2.0
251.16425	14.7
269.17471	37.3
270.17764	1.7
287.18491	9.9
336.67407	1.2
374.17361	1.2
392.18210	3.3
410.19821	1.1
428.20538	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14908	3.4
53.03952	4.5
54.68430	3.7
55.01868	5.4
55.05502	16.5
56.05014	9.6
57.03431	16.7
57.07071	4.0
58.06595	5.7
60.04528	27.2
62.06086	18.0
67.05502	45.0
68.05021	4.6
69.03423	7.7
69.07063	18.8
70.06593	97.8
71.05004	7.4
71.58128	4.3
71.58485	5.7
72.04510	9.0
72.08159	38.3
74.06082	5.7
79.05495	35.6
80.05004	7.6
81.03415	7.1
81.07060	74.7
82.06580	5.9
83.08605	12.5
84.04514	18.1
84.08134	59.1
85.02904	11.0
85.06550	8.1
86.06068	11.0
86.09705	65.6
87.10077	4.6
88.03998	5.1
91.05432	29.2
93.07030	36.7
95.04962	8.2
95.08620	21.4
97.02858	6.2
97.06546	6.6
97.10162	4.3
98.98460	18.3
99.04466	4.4
102.05531	6.3
103.05433	7.5
104.10750	12.5
105.07017	10.7
107.04957	100.0
107.08588	20.8
108.05273	5.3
109.02866	7.2
109.10130	4.8
110.07188	22.6
110.09676	4.4
111.08072	5.6
114.05520	8.0
117.07037	10.5
118.95372	3.8
119.08571	5.6
120.08101	23.2
121.06484	6.6
121.08451	6.2
121.10171	8.8
123.11720	7.5
124.99969	5.4
126.09216	3.8
129.07135	5.0
129.10243	23.7
130.04980	5.7
131.04948	12.5
131.08557	10.4
132.05621	5.5
132.06569	89.8
133.06451	8.0
133.10133	8.1
135.11720	12.2
136.07591	8.4
145.06464	10.5
149.06021	4.3
149.13271	25.7
149.97310	4.4
151.11208	7.2
155.00986	14.6
157.06485	4.0
159.11711	15.7
173.05913	4.1
177.12758	19.0
184.07362	15.3
187.13261	7.5
194.15387	28.4
195.13866	12.1
196.94374	5.3
203.08694	4.8
207.08221	4.0
212.16451	10.2
218.07147	4.1
220.16960	7.5
225.09019	18.2
238.18074	9.0
243.16008	28.2
249.09053	10.5
251.16418	6.3
255.10403	4.6
263.10715	5.6
267.10165	7.8
269.17505	61.5
285.11270	5.9
287.18558	62.9
331.13168	5.0
336.15488	5.0
348.15659	6.1
349.14127	13.7
354.20462	5.2
359.02921	8.3
366.16724	40.6
374.17325	25.0
392.18387	53.9
410.19366	10.5
428.17450	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	428.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26185	1.4
53.03944	3.2
54.09610	1.2
55.01866	1.8
55.05511	13.3
56.05022	3.9
56.96553	2.3
57.03443	17.6
60.08156	1.6
61.01162	1.5
62.06102	1.8
62.09433	1.2
65.03928	2.7
67.05505	54.7
69.03392	1.5
69.07072	17.7
69.45779	2.8
69.46187	9.0
70.06596	35.8
71.04984	4.9
71.06929	1.7
72.08154	16.8
73.02912	1.8
74.06087	1.6
79.05059	2.8
79.05491	30.4
80.05023	1.4
81.03410	2.5
81.07059	75.7
82.06584	1.9
83.04974	6.2
83.06094	2.1
83.08621	13.2
84.04503	7.8
84.08147	19.5
85.02908	3.0
85.06555	4.3
86.09708	20.1
87.05585	1.3
87.10036	1.8
91.05460	20.8
93.07043	44.9
95.04964	8.1
95.08609	20.9
97.06528	9.0
97.10188	1.7
98.06049	1.3
98.97558	1.5
98.98485	3.4
102.05524	3.1
103.05435	2.0
104.10730	4.3
105.07033	10.0
107.04961	19.6
107.08602	22.6
108.05267	2.5
109.06549	1.8
109.10146	3.0
110.07166	8.8
111.08085	5.1
112.08709	1.9
116.98615	3.5
117.07008	9.7
117.56636	1.5
120.08132	6.6
121.06546	2.5
121.10149	7.5
123.11694	5.1
125.00018	2.9
126.06636	1.5
129.09375	1.3
129.10243	8.2
130.04970	4.4
130.08662	2.5
131.04936	2.1
131.08594	10.2
132.06560	2.5
133.06454	1.4
133.10141	14.2
134.99712	2.6
135.08040	1.9
135.11681	10.9
136.07591	2.9
147.11661	1.5
149.13268	22.7
151.11177	1.9
159.11661	13.3
167.05684	1.5
167.14362	1.9
172.41254	1.4
177.00824	1.5
177.12732	9.7
184.07359	7.0
195.13820	20.2
213.14859	4.5
220.17033	3.0
238.18004	4.9
243.15976	3.8
245.19527	1.4
251.16467	19.4
262.14417	1.4
267.08939	1.9
269.17487	100.0
270.17816	2.8
271.51208	1.5
287.18533	46.4
314.82281	1.5
340.21683	1.8
349.13931	1.6
349.88882	1.5
359.02881	1.5
374.17303	2.9
392.18323	9.5
428.15518	6.5
429.14890	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	428.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05258	3.3
55.05505	37.1
57.03415	3.8
57.07071	100.0
63.13324	2.1
67.05488	3.0
68.94045	2.0
69.07068	15.1
70.04074	77.0
71.59828	3.4
79.91090	2.3
81.07027	3.0
83.04974	31.8
85.06528	4.1
88.39063	2.0
89.06051	2.3
91.03137	49.5
91.05460	4.7
93.02841	43.8
95.08612	2.5
97.06513	12.0
98.52507	2.3
105.07012	3.6
115.01266	2.6
125.01511	6.1
127.01250	3.1
129.06963	3.3
130.54504	2.3
138.82695	2.0
141.00996	15.9
143.00706	21.8
143.08559	8.4
144.09351	4.5
146.03807	2.4
153.00981	7.7
155.00706	8.3
155.02612	3.9
157.02280	4.7
160.97319	12.9
165.00998	4.1
167.00729	3.9
167.02702	2.2
169.00507	7.5
171.00188	7.5
172.08771	6.9
179.02602	4.7
179.06128	3.2
181.00612	2.6
181.02298	2.6
181.05809	3.6
188.96809	19.5
207.05725	20.8
207.42055	2.3
209.05415	22.7
209.07262	3.9
219.05782	2.6
221.07224	5.0
223.06970	5.5
225.06769	3.4
227.06496	3.0
237.04646	2.7
237.06816	5.3
239.06516	4.7
245.03067	50.2
321.12473	3.8
405.17276	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40617	1.3
53.03939	2.4
55.05513	47.5
57.07076	13.6
65.86231	1.2
67.05503	16.1
69.07069	41.1
70.20437	2.9
70.20831	2.5
71.08631	9.8
79.05485	5.5
81.03420	1.7
81.07056	23.6
83.04984	2.3
83.08619	98.3
85.10194	2.8
90.58422	1.3
91.05490	11.3
93.07049	19.8
95.04959	2.2
95.08609	50.3
97.06516	6.7
97.10168	11.3
105.07036	11.4
107.08601	10.4
109.06519	1.6
109.10154	12.6
111.11701	2.0
117.07034	3.1
119.08553	9.5
121.10146	8.0
123.08108	2.3
123.11751	1.5
125.09648	1.2
131.08566	5.1
133.10127	13.5
135.08051	3.1
135.11732	4.8
137.09636	1.9
137.13271	1.5
139.14851	2.8
141.07016	1.6
143.08574	4.1
145.10146	6.2
147.08115	2.5
147.11696	4.3
149.09674	2.0
149.13200	2.9
155.08588	3.9
157.10155	6.7
159.11626	6.4
161.09634	3.5
161.13278	2.9
163.11163	2.7
163.14801	1.3
171.11700	3.1
173.13339	3.9
175.11224	3.7
175.14915	2.6
177.12796	3.9
183.11717	2.5
185.13303	2.1
187.14832	2.4
189.12743	1.8
191.17963	1.7
197.13284	3.9
199.14848	3.8
203.14371	1.5
211.14844	2.0
213.16452	2.3
215.17941	2.6
217.16045	1.4
237.16382	1.6
251.17950	7.2
253.19565	8.5
269.19031	1.6
271.20517	8.0
301.25330	1.5
307.24292	2.0
315.26834	3.6
317.28491	4.5
325.25589	1.2
327.26694	2.3
391.33560	6.6
409.34641	100.0
410.35007	3.3
427.30255	1.3
427.35760	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	427.357
Annotation	4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol
Peak:m/z	Relative Intensity
50.13728	6.3
50.36987	6.6
55.05501	48.5
57.07070	59.9
58.07369	7.0
67.05491	20.5
68.03114	6.2
69.07066	37.5
71.04978	12.5
71.47860	6.9
71.60798	8.1
72.73389	6.1
75.47168	5.6
79.05490	16.8
81.07059	33.3
83.08611	100.0
91.05470	14.3
93.07041	35.2
95.08595	62.5
97.06522	6.3
97.10163	21.4
105.07000	16.5
107.08596	18.1
109.10123	15.2
119.08561	9.2
121.06305	7.1
121.10133	10.7
123.11659	11.2
131.08531	9.8
133.10118	12.0
140.08160	46.5
141.08601	8.6
145.10083	14.0
159.11678	10.1
164.08151	10.1
182.09290	56.0
183.09506	10.4
229.97774	6.8
289.21790	15.6
388.11966	6.5
402.10211	6.8
409.34760	45.0
427.21774	21.3
427.35532	49.5
428.21579	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3572
Annotation	Oxidosenexone
Peak:m/z	Relative Intensity
55.05495	20.2
69.07063	23.8
70.78558	10.2
70.78887	6.4
71.08617	7.3
80.34930	5.2
81.07025	5.5
83.08613	22.3
95.08610	7.2
97.10115	6.6
109.10141	10.7
109.74911	6.2
130.71945	5.5
405.11984	6.8
427.35696	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3569
Annotation	4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol
Peak:m/z	Relative Intensity
54.76925	3.6
55.05502	29.2
55.33535	4.0
57.07064	8.1
59.09888	3.7
60.41924	3.5
67.05499	5.2
69.07055	20.7
71.08623	5.2
74.33767	3.2
81.07040	15.0
81.61162	4.2
83.08607	67.5
91.05457	8.2
93.07029	9.5
95.08598	23.0
97.06493	4.1
97.10166	8.3
102.07417	4.5
105.07037	8.5
105.94039	3.3
107.08595	7.4
109.10150	11.2
113.13408	3.0
119.08575	6.5
121.10104	7.9
123.11711	7.0
124.57959	4.0
131.08522	5.6
133.10098	20.7
135.11681	3.5
145.10158	4.7
157.10132	4.6
159.11705	4.2
161.13242	4.1
173.13228	4.2
229.33809	4.4
251.18062	5.2
251.95444	4.1
253.19441	6.5
260.36218	3.3
276.91647	3.8
291.18869	4.1
300.45914	3.6
355.98495	3.6
367.76981	3.4
409.34656	100.0
427.35400	19.5
439.92630	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	427.3573
Annotation	4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol
Peak:m/z	Relative Intensity
55.05513	6.8
57.07068	4.9
63.49997	1.4
67.05494	2.5
69.07073	13.7
69.61900	10.4
71.08616	3.6
79.05486	5.4
81.07059	8.2
83.08611	5.5
85.10194	2.5
91.05503	7.9
93.07050	5.3
95.08614	5.0
97.10183	3.0
98.20756	2.6
98.60961	1.4
99.19189	1.4
105.07043	9.7
107.08588	5.9
109.06512	2.0
109.10146	4.1
119.04988	1.6
119.08557	6.8
121.06506	15.4
121.10142	3.0
123.08098	2.7
123.11671	2.5
129.06978	1.8
131.08595	5.4
133.06480	4.9
133.10130	4.3
135.08070	9.1
140.38338	1.3
143.08571	3.4
145.10165	3.9
147.08043	6.5
147.11691	8.2
149.09673	2.6
157.10112	3.3
159.08063	31.0
159.11694	3.6
161.09631	4.6
161.93507	1.3
163.11163	1.5
165.09085	2.3
171.07991	3.0
171.11705	2.5
173.09686	2.9
173.13345	2.4
175.11191	16.3
175.14760	1.8
185.09572	1.8
185.13283	5.8
187.14853	3.9
189.12802	1.5
199.14861	4.5
201.12737	20.3
215.14308	18.2
215.17833	3.1
219.13849	3.1
227.14331	6.9
231.13824	3.2
233.15356	20.2
235.16962	2.3
245.15392	18.4
287.20010	9.7
315.23196	2.0
388.49084	1.4
391.33899	1.5
409.34628	5.9
427.35739	100.0
428.36084	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	427.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60110	0.9
55.05511	5.2
57.07079	9.7
59.06113	0.9
64.87106	1.0
67.05497	4.1
69.07077	6.8
71.08627	8.6
79.01190	0.8
79.05510	2.3
81.07059	5.4
83.08617	6.2
85.10185	4.3
91.05492	5.0
93.07042	9.1
95.08609	5.8
97.10184	2.6
98.20785	2.2
105.07017	6.9
107.08580	5.4
109.06541	1.0
109.10166	3.2
112.74618	0.9
117.07014	1.8
119.08586	4.2
121.06522	1.1
121.10150	2.6
122.29971	0.9
123.11682	2.0
131.08559	3.6
133.10121	8.4
135.08095	1.6
135.11678	1.3
143.08571	1.9
145.10146	4.8
147.08080	1.7
147.11678	4.0
149.09552	2.1
153.64388	1.0
155.08643	0.9
157.10121	3.7
159.08043	2.3
159.11710	1.5
161.09650	5.9
163.11150	1.5
169.10077	1.7
171.11639	1.1
173.13249	1.4
175.11272	2.9
179.26613	1.1
181.10019	1.1
185.13258	2.1
199.14754	1.1
209.13202	2.2
241.15907	2.0
251.17926	1.1
259.17014	7.0
269.19122	1.3
273.18466	4.2
285.18390	1.1
287.20050	100.0
288.20337	4.9
301.25266	4.2
409.34821	5.5
427.30069	1.8
427.35703	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3573
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
53.03949	2.1
55.05262	2.6
55.05514	38.2
57.07075	15.2
67.05510	7.9
69.07073	36.9
70.11002	5.5
70.11383	3.2
71.08641	10.4
79.05502	4.6
81.07056	19.4
83.04970	2.4
83.08623	89.9
91.05486	8.7
93.07043	9.1
95.08610	24.4
97.06532	6.1
97.10176	8.9
98.20869	2.3
105.07037	8.9
107.04959	2.3
107.08587	6.4
109.10146	13.9
115.05384	1.3
117.07047	3.2
119.08598	9.3
121.10178	8.1
123.08083	2.7
123.11716	1.6
127.82940	1.8
131.08582	5.2
133.10127	17.6
135.08124	2.1
135.11678	4.1
136.95760	1.5
139.14844	2.7
143.08559	2.6
145.10132	5.1
147.11731	3.3
149.09679	2.3
149.67592	1.4
155.08598	2.2
157.10143	4.2
159.11667	5.5
161.09654	2.3
161.13278	1.8
163.11137	3.3
163.78868	1.9
170.99811	1.6
171.11755	3.5
173.13281	2.8
177.12747	2.3
183.11604	2.0
185.13219	2.9
197.13359	2.9
199.14865	4.4
209.13190	1.6
211.14905	3.0
217.15894	1.6
251.17973	5.2
253.19508	7.6
269.18900	2.4
271.20578	7.8
315.27026	2.2
325.24988	2.2
391.33649	6.0
409.34689	100.0
410.34940	6.2
423.96600	1.8
427.35849	18.6
429.58560	1.6
446.50729	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3571
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
53.03945	3.5
53.74835	2.6
55.01847	2.6
55.05513	44.7
57.07071	21.5
67.05509	25.0
69.03410	3.0
69.06723	4.2
69.07072	63.8
70.12852	7.8
71.08632	14.4
79.05486	14.4
81.03409	4.9
81.07051	43.5
83.04953	3.1
83.08611	79.2
85.10152	3.1
91.05482	15.9
93.07040	30.3
93.11195	3.0
95.08601	43.0
97.02898	32.7
97.06511	9.3
97.10160	14.5
98.20782	2.9
99.04446	15.0
105.07027	19.0
107.04934	3.3
107.08588	18.7
109.02872	4.3
109.06496	3.1
109.10152	20.2
109.67153	2.6
111.11752	4.2
117.06980	3.9
119.08553	11.7
120.08119	7.2
121.06477	4.7
121.08481	4.1
121.10132	22.3
123.11681	11.0
123.53082	3.2
127.03894	10.1
129.06953	4.1
131.08549	9.5
133.10144	22.1
135.08040	3.5
135.11670	11.8
137.13287	3.7
143.08517	7.6
145.04945	6.1
145.10126	10.3
147.11630	7.7
149.09619	4.8
149.13274	5.6
155.08540	7.8
157.10091	10.9
159.11681	8.1
161.09587	4.0
161.13319	4.1
163.11142	5.7
169.10117	6.3
171.11661	6.6
173.09644	5.5
173.13248	4.1
175.11182	3.8
175.14836	6.7
177.12759	4.7
183.11800	2.7
185.13170	5.7
189.16364	3.3
195.11844	3.5
196.12262	2.7
197.13275	4.5
211.14839	3.5
225.16463	3.8
231.13884	2.9
251.17946	4.0
253.19518	7.3
265.25220	11.5
271.20532	4.9
372.83813	2.9
391.33447	9.4
397.77222	2.6
409.29727	5.7
409.34698	100.0
410.35010	7.2
427.35944	41.8
444.25323	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3573
Annotation	4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol
Peak:m/z	Relative Intensity
55.05497	19.8
57.07059	26.5
67.05490	12.9
68.02271	5.6
69.07044	29.7
70.06858	26.5
70.07262	9.8
71.08615	14.8
79.05484	11.3
81.07056	30.7
83.08611	38.6
91.05459	11.6
92.34863	5.4
93.07046	14.1
95.08604	24.1
97.06561	7.0
97.10128	9.9
105.07005	19.6
107.08582	20.3
109.10159	19.5
119.08572	19.9
121.10126	12.0
129.06892	6.8
131.08540	8.8
133.10121	19.1
135.11676	7.8
143.08513	9.3
145.10132	14.3
147.07953	7.5
147.11644	5.9
157.10164	15.4
159.11690	7.3
161.09579	8.2
171.11649	10.4
185.13310	18.3
213.16493	8.4
227.18024	10.0
251.18025	6.7
273.18594	8.3
296.63037	7.5
311.23685	6.8
381.35156	9.2
388.32474	7.2
409.34729	64.6
427.35880	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.357
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
53.03924	2.0
54.93941	2.1
55.05511	28.8
57.07076	17.8
63.40361	2.0
67.05237	1.7
67.05511	20.7
69.06721	3.3
69.07072	41.9
69.94891	10.9
71.08629	16.3
79.05486	15.4
81.07060	26.7
83.04974	2.5
83.08611	34.7
84.85720	2.0
85.02903	2.9
85.10178	9.2
85.93910	2.0
91.05480	18.8
93.07047	34.2
95.04988	4.6
95.08614	39.1
97.06514	5.2
97.10168	14.3
98.20737	2.5
100.23799	2.1
105.07033	33.9
107.04984	3.2
107.08593	20.1
109.06519	3.2
109.10162	13.8
111.11718	5.6
117.06990	7.3
119.08575	25.3
121.06533	2.7
121.10136	15.6
123.08074	5.3
123.11713	3.3
129.07016	4.1
130.30669	2.0
131.08577	20.4
133.10127	14.4
135.08043	9.0
135.11726	5.5
137.13246	3.5
140.87187	2.8
141.07051	2.7
141.91507	2.2
142.07823	3.6
143.08566	8.4
145.10094	13.9
147.08015	5.0
147.11674	8.0
149.09601	7.9
149.13289	3.5
151.14676	2.6
155.08554	12.1
157.10133	15.1
159.07994	3.8
159.11693	8.4
161.09625	5.5
161.13312	2.8
163.11148	6.1
169.10095	4.4
171.11702	8.3
173.09645	3.2
173.13268	2.7
175.11183	5.9
177.12729	6.4
179.17943	2.2
181.10170	2.7
183.11732	4.2
185.09612	2.1
185.13211	7.5
187.14786	3.2
189.12724	2.7
195.11610	5.6
197.13318	4.7
199.11090	2.9
199.14845	6.4
201.12738	2.9
201.16412	2.7
209.13203	7.3
211.14815	3.1
213.16447	2.3
215.14279	5.2
223.14809	3.1
227.14304	6.9
227.17937	2.9
229.16005	2.1
241.15858	4.5
241.19492	2.8
243.17432	2.5
251.18047	3.8
269.19028	4.7
271.20520	3.1
287.20053	11.1
301.25357	3.7
317.28360	6.5
327.30585	2.7
333.27728	3.9
355.10657	2.2
381.30975	3.1
381.35229	4.1
391.33578	3.8
395.22980	2.3
409.34662	100.0
410.34940	4.0
427.35870	66.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3575
Annotation	4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol
Peak:m/z	Relative Intensity
50.33174	3.3
50.34717	3.7
55.05516	43.7
55.83469	3.5
57.07075	20.6
59.50555	4.0
62.51694	3.4
62.63230	4.1
67.05499	13.3
69.07065	41.5
69.48846	12.1
69.49267	17.4
71.08627	12.3
79.05499	13.1
81.07056	35.4
83.04998	4.4
83.08620	82.5
85.10181	8.0
91.05480	13.8
93.07053	15.3
95.08602	23.2
96.08147	3.8
97.06518	10.3
97.10175	13.7
105.07042	18.1
107.08600	15.3
109.10166	15.2
111.11732	5.4
117.06960	5.2
119.08598	14.8
121.10180	11.6
129.07030	4.7
131.08586	9.2
133.06477	5.1
133.10135	18.9
135.11717	8.4
143.08630	10.5
145.10124	13.1
147.11734	8.9
149.09596	5.0
157.10085	11.8
159.11705	4.5
161.09645	7.4
163.11180	5.5
171.11707	6.1
177.12685	6.3
181.10155	4.7
183.11586	4.9
185.13246	8.9
187.14868	8.0
197.13220	4.6
199.14815	4.1
203.12804	5.4
209.13239	6.0
213.16409	4.9
251.17834	4.5
253.19630	9.8
271.20505	6.5
330.06454	3.8
336.49762	4.1
345.58539	4.3
391.33569	8.1
409.34671	100.0
410.34790	7.0
427.35724	97.0
428.36063	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	427.3571
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
52.77102	2.1
55.01869	4.2
55.05512	30.5
57.07076	27.1
67.05496	15.4
69.03429	3.1
69.06721	3.8
69.07074	50.2
69.94797	8.9
71.08634	17.7
79.05497	14.1
81.03431	2.4
81.07066	26.4
83.04993	2.9
83.08627	30.3
85.10188	9.6
91.05486	21.5
93.07053	47.9
95.04991	7.2
95.08620	42.5
97.06543	4.6
97.10155	19.4
105.07034	51.6
107.04949	2.6
107.08591	25.2
109.06519	2.3
109.10173	14.2
111.08068	4.9
111.11758	6.1
117.07047	6.2
119.08587	25.7
121.06522	5.2
121.10141	17.0
123.08068	7.0
123.08870	2.6
123.11726	6.2
129.07027	5.2
131.08575	23.3
133.06538	3.6
133.10124	14.7
135.08072	13.1
135.11725	12.2
137.13197	2.8
143.08597	5.3
145.10107	13.1
147.08054	3.4
147.11714	8.5
149.09636	17.4
149.13258	7.1
155.08597	14.8
157.10106	16.1
159.11720	10.6
161.09634	5.7
161.13237	4.5
163.11198	12.0
169.10191	6.5
171.11728	6.5
173.09650	3.6
173.13335	3.1
175.11166	2.9
177.12766	15.9
177.16312	2.7
181.10083	3.3
183.11731	5.8
185.13293	6.8
187.11115	2.3
187.14778	2.7
195.11700	5.1
197.13275	4.7
199.11237	2.8
199.14818	4.4
201.12807	3.4
201.16408	2.9
209.13379	3.6
211.14908	4.4
223.14767	3.5
227.14290	11.4
229.15843	4.2
237.16330	3.5
241.15764	3.5
247.23965	2.2
251.18001	6.2
269.19098	6.6
287.19913	4.1
293.22745	3.7
306.24493	2.5
317.28506	18.6
324.32568	7.1
333.27939	6.6
391.33545	10.3
409.34698	100.0
409.40231	4.7
410.34949	6.3
427.35791	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89692	0.4
55.01872	0.6
55.05513	0.7
57.03433	0.7
61.39785	0.4
65.22929	0.4
67.05488	1.8
69.07072	0.7
70.06569	0.8
71.08611	0.4
71.59161	0.6
72.08154	0.6
79.05478	1.3
81.07059	2.0
84.08106	0.6
91.05485	1.4
93.07052	1.0
95.05012	0.7
95.08616	1.1
98.98473	0.7
103.05447	1.1
104.75214	0.5
105.07024	1.7
107.04929	3.9
107.08604	0.9
117.07041	1.2
119.08621	1.1
121.02883	1.5
121.10157	0.9
128.06291	0.5
129.07004	0.8
131.04913	1.3
131.08611	0.7
133.10144	0.7
141.06966	0.6
145.06505	1.5
145.10121	0.7
157.06551	0.8
157.10106	0.7
163.12830	0.5
169.06554	1.2
179.08504	0.6
199.11143	0.6
202.08054	0.5
203.12814	0.8
205.10223	0.7
223.07664	0.5
233.09601	0.8
235.07518	1.3
237.09276	0.7
239.33516	0.5
243.48862	0.6
245.09546	0.8
249.09067	0.8
250.09805	1.0
253.08678	1.4
254.57016	0.5
255.17432	0.6
261.09155	2.1
262.09967	2.0
263.10535	1.8
264.16376	0.5
273.18503	0.9
284.96695	0.5
381.34406	0.5
397.14270	1.3
427.26678	100.0
428.26913	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	427.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.4
57.07059	0.4
59.21429	0.3
67.05482	0.9
69.07063	0.9
70.06587	0.4
71.20239	0.8
71.50534	0.3
79.05474	0.6
81.07045	0.8
81.96439	0.4
83.71030	0.3
85.16787	0.3
87.43252	0.3
91.05463	1.0
93.07026	0.6
95.04974	0.5
95.08601	0.9
105.07036	1.2
107.04956	3.5
107.08573	0.6
116.04548	0.4
117.90317	0.4
119.08552	0.5
129.06995	0.7
131.04916	0.7
133.10126	0.4
141.06924	0.3
145.06531	0.7
146.39185	0.4
147.08116	0.4
157.10194	0.4
165.08963	0.3
174.42255	0.4
235.07561	0.5
249.09084	0.6
259.07831	0.4
285.09290	0.5
299.34836	0.4
321.11862	0.4
330.86841	0.3
397.14737	0.5
421.03461	0.5
427.26669	100.0
428.26978	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	427.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.8
57.07061	0.3
61.03545	0.3
63.56523	0.3
67.05505	0.9
67.29859	0.3
69.07054	0.6
70.06596	0.3
70.73686	0.8
79.05481	0.6
81.07050	1.2
83.05000	0.3
84.08131	0.7
91.05502	0.9
93.07024	1.1
95.04989	0.4
95.08598	1.3
105.07005	0.8
107.04955	4.3
107.08592	0.6
109.10159	0.9
111.84208	0.3
117.06973	0.4
119.04929	0.3
119.08588	0.9
121.02832	0.6
121.06493	0.5
121.10129	0.6
123.08025	0.3
123.11636	0.5
129.06998	0.5
131.04929	0.8
131.08571	0.5
133.06471	0.4
133.10139	0.3
135.08002	0.4
137.09641	0.4
137.13300	0.5
145.06491	0.9
149.05965	0.3
149.09732	0.3
157.06552	0.8
159.11751	0.3
168.80379	0.3
173.09552	0.3
174.43381	0.4
178.07692	0.4
179.08711	0.3
184.07413	0.3
189.06978	0.4
202.07693	0.5
209.13208	0.3
215.08551	0.5
221.59288	0.3
225.09158	0.5
231.08006	0.6
235.07513	0.4
238.07895	0.3
243.14380	0.4
247.07518	0.6
257.09424	0.4
259.07602	0.4
260.08368	0.3
271.13977	0.4
273.58566	0.3
291.10275	0.4
335.20959	0.5
351.13876	0.7
353.22055	0.7
371.22476	0.3
379.13211	0.8
391.13092	0.3
397.14240	0.5
409.14279	0.6
409.30850	0.7
427.26657	100.0
428.26984	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	427.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79565	0.5
55.05498	0.6
56.96554	0.5
57.20364	0.4
67.05497	0.9
70.06248	0.5
70.06590	6.9
71.06908	0.5
72.08140	1.0
76.02197	0.7
79.05464	0.5
81.03421	0.6
81.07056	0.6
82.06544	1.6
84.04465	1.2
84.08106	1.8
86.09667	1.6
89.06004	1.1
90.46888	0.4
91.05460	0.9
95.04973	0.6
96.04443	0.6
98.97578	0.8
107.04956	5.6
107.07298	1.9
108.05262	0.4
109.00439	0.5
110.06034	2.6
120.08102	14.1
121.10117	0.6
123.04409	0.7
131.04893	2.1
131.64334	0.5
132.95772	1.3
133.08609	0.5
136.07516	0.9
138.05437	1.4
138.11334	0.6
144.07976	0.5
150.09074	0.6
157.01686	0.5
157.06342	0.6
159.01433	0.4
164.07014	1.5
169.08888	0.6
174.96878	1.9
193.06496	0.8
194.09607	0.6
195.08072	0.8
196.07521	1.4
197.08363	3.4
198.09142	1.9
199.10008	0.5
209.09586	1.1
210.09166	2.8
211.06514	1.0
211.09897	4.3
212.10695	24.3
216.66960	0.5
221.04900	0.6
223.06407	2.4
224.10689	0.9
225.11447	0.5
226.12250	29.4
227.12585	1.1
237.02679	0.7
238.62256	0.6
241.07350	1.1
254.11728	0.6
256.09720	1.5
257.10526	0.5
259.08392	0.7
265.07339	0.6
268.09488	0.7
270.11261	3.3
271.12009	100.0
272.12708	16.0
273.12656	0.5
283.08521	1.3
367.10751	3.8
367.16370	6.9
377.14407	1.1
391.16489	4.2
409.17380	11.1
409.22067	0.8
410.23618	0.8
427.13229	3.3
427.18628	33.7
428.18921	1.7
445.16956	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01852	0.5
55.05503	3.0
67.05501	0.6
68.39967	0.4
69.07043	0.8
69.62659	0.4
70.06577	1.1
71.21283	0.9
74.31904	0.5
79.05476	2.0
81.03430	0.8
81.07021	1.0
82.06557	1.0
83.04997	0.9
83.08607	1.6
85.02867	0.8
86.55972	0.4
87.04459	1.0
89.06049	0.5
90.83948	0.4
91.05480	0.7
93.07023	0.7
94.06561	2.0
95.04960	2.9
95.08608	0.5
100.07600	1.2
100.11253	6.7
105.04527	0.5
106.06554	1.9
107.04947	96.8
108.05244	2.8
108.08108	0.9
110.06031	1.6
111.04450	0.9
114.89481	0.6
119.08562	0.6
120.08092	1.7
122.06004	0.8
128.07074	0.7
133.08537	0.7
134.05984	3.5
136.07584	1.0
140.07069	0.8
141.11412	1.2
141.61652	0.6
148.07559	0.9
152.07037	4.3
160.07555	1.6
166.04970	1.5
166.08655	1.2
170.09769	0.5
172.11215	0.5
174.09152	0.9
182.15392	4.1
183.15790	0.5
187.12271	2.4
188.07066	0.9
197.10713	0.7
198.09096	1.7
199.08618	2.5
199.18028	0.5
200.09410	1.8
201.10210	1.9
202.08646	0.8
203.12912	0.5
209.16415	1.0
210.14923	3.8
212.10661	1.7
213.10251	1.4
214.10921	2.1
215.11761	7.7
225.10187	1.4
226.08755	0.5
226.12335	1.5
226.19272	0.5
227.17577	0.7
228.16042	0.9
239.11679	0.5
240.10211	0.7
241.09613	0.8
241.13347	1.1
243.11279	34.4
244.11665	0.9
245.18584	0.6
254.53526	0.6
257.12799	1.6
258.11346	0.8
259.10767	0.5
260.11475	0.8
267.11240	1.5
271.12024	4.8
272.12753	0.5
273.12280	0.8
274.13123	0.6
275.13901	1.3
285.12378	4.6
286.10623	0.6
302.12012	0.5
303.13367	100.0
304.13739	3.0
321.16678	0.8
326.27890	1.0
329.92365	0.8
343.30777	0.5
372.27890	0.9
395.26169	1.0
409.17566	34.6
410.17911	1.1
427.18222	1.4
427.28555	0.7
428.20947	0.9
453.34299	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33662	0.3
55.01819	0.4
55.05484	0.7
56.96550	0.7
60.56691	0.4
61.02877	0.5
65.03915	0.4
67.05461	1.5
69.03402	0.8
69.07042	0.5
69.36839	3.4
70.06587	0.6
79.05453	1.2
81.03395	0.6
81.07029	1.3
82.06554	0.9
84.08108	0.5
84.96027	0.6
85.02868	0.7
87.04451	0.4
91.05460	1.1
93.07024	1.2
94.06547	0.6
95.04925	0.8
95.08580	0.6
97.02865	0.5
98.97553	1.4
103.05433	0.4
105.07016	0.7
107.04259	0.6
107.04936	5.5
107.07379	2.1
107.08563	0.4
108.08119	0.6
109.10112	0.7
110.06035	3.4
116.98586	1.3
119.08544	0.6
120.08103	13.3
121.02804	0.7
121.06493	0.5
121.10125	0.6
122.05986	0.5
126.05455	1.1
131.00134	0.6
131.04913	0.8
132.08083	0.8
133.10124	0.9
134.99622	0.7
135.11540	0.3
136.07558	5.4
138.05490	1.8
148.07550	0.4
149.01161	0.5
150.09154	0.8
152.07138	0.5
157.06407	0.7
158.99559	0.4
161.00952	0.4
163.69830	0.4
164.07056	7.8
169.06419	0.4
171.07956	0.6
173.13220	0.4
177.00691	0.9
182.08134	4.0
182.09573	0.7
183.06734	0.5
183.08592	0.4
184.11227	0.4
191.02284	0.4
194.09753	0.4
195.07910	0.5
195.10400	0.5
196.07457	1.8
196.11092	0.8
197.08345	3.4
198.09172	2.1
198.10732	0.4
199.09933	0.9
202.08611	1.6
210.09109	3.5
211.09944	4.4
212.10686	23.3
213.11020	0.7
214.08690	0.3
219.01833	0.6
223.10007	0.7
224.10677	1.4
225.11469	1.0
226.12260	29.7
227.12599	1.1
237.02701	0.6
238.08594	0.5
254.11580	0.5
255.18185	0.4
256.09650	2.1
257.10208	0.5
270.11255	4.0
271.12009	100.0
272.12726	16.9
275.11572	0.6
303.13641	0.5
367.16534	7.9
385.15262	2.4
391.16547	3.9
393.18005	1.3
404.70517	0.4
409.17599	9.3
410.18079	0.6
427.18619	27.5
428.18915	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.3
55.01863	4.8
55.05501	10.7
56.96560	7.0
61.02919	7.4
65.03950	3.1
67.05499	12.9
69.03427	9.9
69.07063	6.5
69.49182	8.0
69.49619	12.6
70.06588	5.0
71.05004	3.4
71.08595	2.5
73.02901	3.7
79.05482	11.9
80.73317	2.2
81.03416	10.4
81.07060	16.3
81.19604	2.4
82.06597	2.3
82.70496	2.3
83.08598	5.5
84.08118	3.8
85.02903	9.8
86.09686	4.3
91.03902	3.1
91.05488	14.0
93.07060	7.1
94.06564	6.3
95.04961	9.0
95.08614	10.4
97.02895	7.1
97.06554	3.2
97.10151	3.7
98.21498	4.5
98.97598	4.1
99.97929	2.2
105.07038	6.6
105.26389	2.9
107.04944	50.5
107.05626	4.4
107.08590	7.8
109.10143	10.2
110.05986	4.0
116.98608	4.1
119.08559	4.2
120.08121	9.3
121.02885	5.5
121.06478	3.3
121.10144	6.2
122.05981	11.8
123.04405	2.4
123.06852	3.1
123.11729	2.7
124.07587	3.6
131.08595	5.4
133.10098	3.5
135.08009	2.6
136.07564	79.3
137.06000	21.0
140.07094	3.5
143.08511	3.4
147.11703	3.1
152.07050	4.9
160.97359	3.4
164.05672	4.7
164.07059	100.0
165.07458	3.7
182.08122	85.0
183.08395	3.0
189.00650	2.7
198.09177	3.9
202.08603	19.7
203.08974	2.8
203.12758	5.1
210.09230	3.3
212.10689	13.0
226.12306	16.5
229.07451	6.1
230.07928	4.3
237.07556	3.7
247.08417	6.2
247.16858	3.9
257.10419	3.9
261.09064	3.9
267.09042	6.8
271.12009	65.6
271.14709	4.9
272.12762	34.6
274.10657	5.4
275.11472	10.5
285.09967	6.0
286.10434	3.9
296.10135	4.2
296.60242	3.9
324.61658	6.2
393.18039	36.7
401.66583	5.1
427.18356	8.9
427.26776	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	427.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.05506	0.5
69.03465	0.4
70.06576	1.6
70.69759	1.1
79.05491	2.0
81.03415	0.5
81.07075	0.4
82.04255	0.3
85.02860	0.4
86.09698	1.4
94.06558	1.7
95.04978	3.0
100.59807	0.4
105.04520	0.4
105.06998	0.4
106.06561	1.3
107.04949	96.8
108.05273	2.5
108.08093	0.7
110.06031	1.1
116.02248	0.3
120.08120	2.2
122.06011	1.4
127.82714	0.3
133.10045	0.4
134.06013	4.1
146.08380	0.6
148.07555	1.1
152.07071	5.1
157.06497	0.8
160.07562	1.7
166.04938	0.7
166.08614	0.9
170.09685	0.6
171.10490	0.6
173.10707	0.6
174.09117	1.1
187.12291	2.5
188.07069	1.4
197.10721	1.0
198.09171	1.8
199.08624	2.1
200.09309	1.8
201.10152	2.2
202.08586	1.3
202.10562	0.6
210.09242	0.4
212.10724	1.6
213.10268	1.2
214.11035	2.3
215.11784	7.8
225.10220	1.5
226.08627	0.5
226.12352	0.6
230.09926	0.5
231.11206	0.9
241.13434	0.6
243.11282	38.2
244.11664	0.5
245.09270	0.6
257.12802	1.6
258.11218	0.8
259.10745	0.8
260.11542	1.0
261.81906	0.4
262.12766	0.4
267.11227	1.9
271.12051	3.2
272.12790	0.8
273.12344	1.0
274.13040	0.7
274.16623	0.4
275.13947	1.1
285.12363	4.0
286.10654	0.6
289.11810	1.0
290.12103	2.5
293.12769	0.5
302.12598	0.6
303.13373	100.0
304.13797	2.5
395.17816	0.7
396.16385	5.9
409.17545	36.7
410.17755	1.3
427.18570	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.8
55.01882	0.9
55.05506	4.9
56.96547	1.4
61.02922	1.4
67.02928	0.7
67.05489	2.5
69.03418	1.8
69.07044	1.5
70.06583	3.4
71.04999	1.3
71.60393	1.1
72.08157	4.7
79.05488	3.2
80.04996	1.0
81.07040	2.5
82.06590	2.0
83.04977	1.9
83.08606	1.6
84.16671	0.7
85.02904	1.9
85.06553	0.9
85.47327	0.8
86.09702	1.5
87.04460	1.3
91.05473	2.1
93.07056	1.4
94.06581	1.3
95.04967	2.2
95.06097	1.7
95.08601	1.7
95.32357	0.8
97.02876	1.7
97.06512	1.1
98.09692	0.9
100.07627	1.3
100.11259	4.7
106.06527	0.8
107.04951	38.6
107.07368	2.6
108.04527	0.8
108.05270	2.4
108.08103	1.8
110.06039	3.6
111.04432	3.0
116.05030	1.0
120.08104	13.9
121.06461	1.0
121.10144	1.0
122.05961	0.9
126.05506	1.7
126.12849	0.9
128.07104	1.4
129.06984	1.0
131.08580	0.9
132.08099	1.0
134.06078	1.2
136.07605	2.6
137.05986	1.4
138.05479	2.0
139.11197	1.7
141.11475	0.9
149.07411	1.0
150.09126	1.0
152.07071	2.3
164.07076	2.5
172.03973	2.6
175.08719	1.0
182.15417	3.6
184.07472	1.3
190.07014	0.8
195.08073	1.1
196.07564	1.3
197.08379	1.8
198.09154	2.8
204.06633	1.3
210.09142	2.8
210.14888	3.6
211.10014	4.6
211.15015	1.0
212.10698	24.3
214.11107	1.0
215.11809	2.2
224.10780	1.4
226.12262	28.4
227.12465	1.2
228.15956	0.9
241.09877	1.0
242.09433	3.5
243.11305	9.2
256.09656	1.5
268.21539	1.2
270.11288	3.0
271.12021	100.0
272.12677	16.6
273.12619	1.0
276.13730	1.0
285.12448	1.4
290.12164	1.2
297.12561	1.3
303.13358	28.1
321.16321	1.0
334.44046	0.9
354.26556	1.1
367.16510	7.8
391.16592	3.9
395.17792	3.9
396.16431	1.7
409.17593	21.0
410.17715	1.5
427.18701	34.6
427.24246	1.9
428.18912	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	427.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01870	0.6
59.55724	0.4
67.05508	0.8
69.07065	0.4
69.26653	4.2
70.06593	0.7
79.05496	2.4
81.03404	0.5
85.02927	0.4
91.05447	0.4
94.06544	1.9
95.04955	2.8
98.21530	0.9
106.06558	1.5
107.04951	88.1
108.05315	0.5
108.08097	0.6
110.06040	1.7
120.08102	1.4
122.06035	1.1
132.08087	0.7
134.05994	3.6
140.07051	0.4
146.08473	1.0
148.07587	1.0
152.07088	4.4
154.36900	0.4
160.07570	1.5
166.05013	0.5
166.08640	1.2
170.09598	1.0
174.09175	1.0
182.09515	0.4
184.07591	0.5
185.07094	0.9
187.08624	0.5
187.12303	2.4
188.07079	1.4
197.10709	0.8
198.09081	1.9
199.08611	2.9
200.09442	1.6
201.10187	1.6
202.08682	0.9
202.10626	0.4
212.10690	1.0
213.10304	1.4
214.09128	0.4
214.10947	2.3
215.11800	8.4
215.13838	0.6
225.10246	1.2
226.08682	0.9
239.11832	0.7
241.13385	1.0
242.10420	0.5
243.11284	36.4
244.11801	0.9
245.09303	0.6
257.12833	1.6
260.11520	0.9
267.11279	1.5
271.12054	1.6
273.12286	1.0
275.13855	1.3
281.08759	0.4
285.12268	4.2
302.12460	0.5
303.13376	100.0
304.13660	2.2
377.77945	0.4
396.16446	0.6
409.17548	35.6
410.17703	0.8
427.18311	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01887	0.7
55.05513	1.0
56.05036	0.9
57.03440	1.0
64.36423	0.5
66.18916	0.5
67.05517	0.9
70.06593	5.9
70.74908	0.6
70.75236	1.3
71.04991	4.5
72.08166	1.2
74.06080	0.6
79.05492	1.9
81.07085	1.1
82.56536	0.6
83.04978	0.6
83.06117	0.5
83.08548	0.7
84.04519	1.2
84.08135	2.1
85.02908	5.5
86.09695	2.8
91.05483	3.6
93.07026	1.0
95.04959	2.0
103.05460	5.0
103.30210	0.5
104.10751	0.9
105.07025	1.0
107.04955	100.0
108.05315	0.8
110.07160	1.1
115.05457	2.7
117.07014	4.2
119.04929	2.6
120.08098	1.2
128.06224	0.8
129.07019	4.1
129.10277	1.1
131.04927	26.9
131.08580	0.6
132.05768	3.0
133.06499	1.5
141.06996	2.2
145.06483	27.0
147.04405	0.7
152.06181	0.6
157.06494	10.9
158.77521	0.5
164.37651	0.7
165.06996	0.8
169.06490	9.3
175.07570	1.3
179.08478	0.6
181.06487	1.0
184.07428	1.2
187.07599	1.3
191.08566	0.7
192.09251	1.2
194.07262	1.1
195.08054	0.6
202.07784	2.7
203.08583	0.7
203.12694	0.7
207.08073	1.6
207.11693	0.8
210.06700	0.7
215.08469	0.8
217.10141	1.1
218.07515	0.6
219.08084	1.6
220.08797	4.7
223.07623	0.8
223.11111	1.3
231.08084	1.3
233.09555	1.7
235.07564	0.8
235.11218	5.2
236.08275	2.0
244.08856	0.6
245.09641	3.3
247.07620	2.0
248.08348	2.2
249.08954	0.5
251.10674	23.1
251.13304	1.2
263.10681	29.3
264.10913	0.7
271.12039	0.7
274.79309	0.6
281.11780	1.2
427.15179	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
55.01868	2.5
55.05486	3.2
57.03435	8.6
59.79578	1.3
69.03411	1.3
69.07069	1.7
70.06593	5.8
71.04992	48.8
71.58608	1.3
72.08136	1.8
73.02911	1.9
75.04476	2.3
79.05494	3.0
81.07034	2.4
83.04955	1.6
84.04503	1.7
84.08138	2.9
85.02904	56.0
86.09705	4.8
87.04485	1.3
91.05466	4.1
93.07030	1.9
95.04950	2.7
98.98489	1.1
102.94060	0.9
103.05473	6.6
104.10739	3.3
105.07017	2.9
107.04955	100.0
107.08596	1.4
111.04412	1.7
112.02304	1.1
112.11207	1.2
115.05402	2.2
117.07011	3.7
119.04915	2.4
120.08087	2.2
121.02878	1.5
121.06503	2.0
121.10147	1.2
125.00008	1.3
128.06218	2.9
129.05487	7.9
129.07007	4.1
129.10307	0.9
131.04922	26.1
132.05736	2.4
133.06474	4.1
141.06952	3.9
143.08569	1.3
145.06476	23.8
146.78346	1.0
147.04395	2.2
157.06516	5.5
159.08025	1.8
165.06975	1.2
169.06473	11.9
171.08093	2.6
179.08583	1.7
179.33188	1.0
184.07416	4.8
187.07529	1.0
194.07277	2.3
202.07803	3.6
207.07991	3.5
217.10143	1.5
219.08104	2.8
220.08815	3.6
223.07626	2.3
227.81342	1.1
231.08018	3.7
233.09456	1.1
235.07574	3.9
235.11046	5.1
245.09544	3.0
247.07549	2.0
248.08281	3.2
249.09198	1.4
251.10619	7.8
261.09064	3.0
263.10651	18.3
268.16165	3.1
275.10788	2.4
277.08685	1.0
287.10669	1.2
293.11584	1.1
379.13187	1.2
384.01328	1.2
409.31573	1.8
427.15408	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	427.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04543	0.5
70.06583	1.0
70.37408	0.3
70.37779	0.4
71.04969	0.2
84.04478	0.3
84.08142	0.3
86.09679	0.5
91.05463	0.2
94.04037	1.7
98.97537	0.5
99.90939	0.2
107.04955	1.9
112.05069	0.3
116.65312	0.2
120.08076	0.7
121.55484	0.2
123.06631	0.6
133.05081	0.3
133.06531	0.2
135.05363	0.3
136.07553	0.2
150.07735	100.0
151.08134	0.4
212.10727	0.9
226.12256	0.8
234.98882	0.2
249.08253	0.2
265.07468	0.3
270.11240	0.3
271.12012	3.8
272.12811	0.6
282.11993	0.8
283.08582	0.3
295.11472	18.6
296.11652	0.4
367.16507	0.3
409.17377	0.6
427.13306	0.4
427.18921	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	20.3
66.61198	2.8
69.07051	2.9
69.95486	6.8
69.95895	10.5
79.05501	4.5
81.07018	4.3
91.05483	22.6
95.08600	3.3
96.25883	2.9
103.05453	17.1
105.03364	3.5
105.07029	6.3
107.04940	12.4
107.08596	4.5
115.05456	24.7
117.07013	21.8
118.05043	3.0
119.04898	4.1
127.78182	2.6
128.06212	16.6
129.07004	40.3
131.04930	31.6
131.08540	17.1
133.06416	8.2
141.06989	38.3
143.04881	3.0
143.08549	3.9
145.05405	5.5
145.06490	71.5
147.04398	4.7
147.08008	7.9
152.06244	4.8
153.06953	5.8
157.06487	41.0
159.08057	35.2
161.05931	5.2
165.06985	12.2
166.07819	3.5
169.06503	41.8
171.08061	8.3
176.06203	3.9
177.06985	3.4
178.07814	27.1
179.08578	36.4
181.06448	11.1
182.07289	3.4
183.07947	3.6
185.05888	4.7
189.06996	9.6
190.07712	9.0
191.08563	10.5
193.06424	4.9
194.07170	4.1
195.08009	10.6
197.06049	6.5
202.07773	14.0
203.08504	15.0
205.06500	13.6
206.07239	4.9
207.08063	31.7
210.06798	4.9
211.07542	6.8
213.07042	3.7
215.08521	3.3
218.07303	6.9
219.08000	21.1
221.05997	21.9
221.09506	5.3
222.06628	4.5
223.07446	17.5
225.09050	4.4
231.08070	25.8
232.08751	5.2
233.09677	7.4
234.06767	7.5
235.07539	100.0
236.07971	3.2
237.09192	5.3
239.06966	19.6
241.08546	4.4
243.07965	5.9
247.07568	29.3
249.05284	3.1
249.09065	13.4
250.09875	3.0
251.07034	32.8
253.08577	38.9
259.07578	45.0
260.08231	8.5
261.09250	6.7
262.09723	4.7
263.06934	6.7
265.08578	11.1
275.07059	5.0
276.09485	3.7
277.08551	12.5
289.10065	7.3
290.10767	3.1
291.11606	4.9
301.10162	4.7
302.10782	5.2
305.09506	5.0
307.11176	6.2
318.10315	4.9
319.11069	12.2
320.11893	3.7
322.09845	5.4
327.11652	3.5
329.09326	4.9
330.10477	8.5
331.11267	6.8
335.14151	4.9
337.12387	7.8
343.11026	6.0
345.08841	3.3
345.12811	8.0
347.10632	9.9
348.11414	12.9
349.11887	8.0
351.13858	9.9
353.11615	4.8
355.13339	6.5
361.12268	5.9
363.13864	24.3
365.11884	16.1
367.13168	5.5
373.12146	11.9
376.10947	9.7
377.11676	4.2
379.13260	31.8
381.14859	31.4
391.13336	47.5
397.14322	67.0
409.14294	50.6
410.14813	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	427.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74643	0.8
53.03935	2.5
55.01863	1.9
55.05500	2.1
56.96562	1.0
57.07057	1.7
67.05495	3.2
69.03414	0.8
69.07074	4.5
69.45789	6.3
70.06582	2.3
79.05493	4.9
81.07067	6.4
83.04986	0.7
83.08611	1.9
84.08126	0.9
86.09708	1.1
91.05499	4.2
93.07056	4.8
95.04976	4.9
95.08614	4.8
97.10175	1.2
103.05480	2.2
105.07022	2.8
107.04961	100.0
107.08601	2.9
108.05316	2.0
109.06516	1.0
109.10159	3.3
115.05470	2.8
116.06161	0.8
117.07024	3.3
119.04937	2.3
119.08585	3.0
121.02876	2.3
121.06509	1.0
121.10150	2.0
123.11724	1.5
128.06233	1.5
129.07027	2.7
131.04936	7.9
131.08575	2.8
132.05731	1.2
133.06465	1.8
133.10155	1.2
137.13301	1.0
141.07008	0.8
143.08569	1.7
145.06459	4.0
145.10149	2.0
147.08052	2.1
153.80881	0.8
155.08572	0.9
157.06514	2.1
157.10117	1.8
159.08093	2.5
159.11710	1.6
165.07048	2.3
167.08499	0.7
169.06485	0.8
171.11659	1.4
173.06053	1.0
173.09668	1.3
173.13167	0.7
175.11182	1.0
178.07843	4.8
179.08580	2.5
183.11874	1.0
185.13213	1.2
189.07039	1.3
190.07799	2.4
191.08636	3.9
193.10150	1.1
194.07298	1.5
201.12779	2.3
202.07751	6.1
203.08632	4.6
203.12848	1.2
204.09367	1.1
205.06549	3.9
206.07182	1.3
207.08051	4.9
209.06126	1.0
215.08629	2.8
215.14359	2.6
218.07222	1.9
219.08109	8.2
220.08810	4.0
221.06055	2.3
221.09676	2.3
225.09198	1.1
228.09212	1.5
229.10133	1.7
231.08043	10.6
232.08644	1.5
233.06065	1.0
233.09688	1.9
233.15431	1.1
234.06775	3.9
235.07515	9.5
237.09193	1.2
239.10828	0.9
243.08173	0.9
244.08806	1.5
245.09686	2.6
245.15327	1.6
247.07574	7.9
248.08311	5.1
249.09146	5.4
250.09840	1.3
255.08147	1.5
257.09637	2.7
258.06918	1.0
259.07541	6.5
260.08353	3.6
261.09155	2.6
263.07242	0.8
263.10715	1.7
269.09717	1.1
271.07547	0.9
272.08347	0.9
273.09076	4.3
273.18619	1.1
274.09897	0.8
275.07227	1.1
275.10797	1.8
276.07892	1.0
277.08594	51.9
278.09091	3.8
281.10056	0.7
285.09073	3.6
285.18658	1.4
287.10745	1.5
287.20032	1.1
291.10129	26.3
294.10236	1.0
295.11404	0.9
297.09055	0.9
303.10159	8.3
303.12720	0.7
305.09824	1.2
311.55008	0.9
315.10254	3.1
318.10541	0.9
319.11371	2.5
320.12213	1.0
321.11478	2.4
331.11325	1.3
335.10745	1.4
336.11453	1.5
337.12009	1.1
347.10742	2.8
348.11563	2.2
349.12292	1.1
359.11002	1.0
361.12390	2.2
363.10107	1.0
363.14011	1.4
365.11798	2.1
367.13297	1.6
373.12320	1.9
375.10449	1.2
379.13300	5.6
381.14920	2.6
391.13342	3.3
397.14392	8.7
409.14368	37.2
409.26251	1.8
409.31302	2.3
410.14734	3.7
427.15475	7.5
427.26788	47.8
427.32233	7.8
428.86978	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
55.01875	12.7
55.05481	1.6
56.96558	1.1
67.05506	3.3
69.07056	1.5
69.43410	9.0
70.06584	2.3
79.05499	3.0
81.07044	3.5
83.52016	1.1
84.08114	1.2
91.05492	6.9
91.66122	1.3
93.07026	3.9
95.04970	4.9
95.08617	1.8
100.91501	1.0
103.05464	5.0
105.07030	2.9
107.04960	64.8
107.08554	1.5
109.10197	1.1
115.05511	1.4
117.07061	1.5
119.04943	4.0
119.08591	1.8
121.02847	3.4
121.06517	8.0
122.59432	1.1
129.07019	3.1
131.04907	5.6
133.06485	2.6
133.10129	1.2
145.06483	3.3
147.04391	1.9
149.05989	8.3
157.06494	2.6
157.10152	1.3
159.08041	2.0
169.06480	2.5
178.07759	1.7
179.08537	2.0
181.06583	2.5
189.06984	1.5
195.08330	1.4
202.07835	4.4
203.08611	3.7
203.12723	1.6
205.06506	2.2
205.10181	1.4
207.08089	3.1
215.08562	4.2
217.10246	1.4
218.07335	3.6
219.08061	5.8
221.09538	1.8
223.07538	1.4
225.09196	1.7
226.07741	1.4
227.08482	4.5
228.09303	1.4
229.10210	1.4
231.08130	6.1
232.08838	2.3
233.09763	4.0
234.06770	1.5
235.07559	2.5
239.08548	3.0
242.07230	2.3
243.08112	9.2
245.09647	3.5
247.07538	3.1
247.11272	1.8
248.08472	2.6
249.09126	2.9
250.09843	1.6
255.08061	3.2
257.09647	4.9
259.07541	9.2
260.08289	2.8
261.09113	17.4
272.08347	1.6
273.09222	5.3
275.10626	1.8
277.08560	1.8
279.10233	1.8
285.09177	7.6
291.10266	5.0
303.10159	14.5
307.11218	1.2
310.09985	1.4
318.10495	1.7
319.11246	1.4
323.10361	1.8
331.10947	1.4
333.12930	1.3
335.10358	1.4
339.10083	1.5
343.11652	1.7
347.10654	2.0
351.13876	6.3
353.11752	1.9
362.13028	1.6
365.11819	2.3
367.13422	1.5
367.17969	1.8
373.12250	1.6
379.13214	11.5
381.15030	2.4
391.13379	3.2
397.14404	9.1
403.41504	1.3
409.14285	2.9
427.15128	5.2
427.26694	100.0
427.31497	3.7
439.46414	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.0
55.06815	1.2
56.10394	1.3
57.03445	2.8
57.07080	19.3
62.06092	21.5
67.05491	4.4
69.07072	3.6
69.84330	7.8
70.46745	1.4
71.08640	10.8
76.23419	1.2
81.07074	3.2
83.08633	2.0
83.56504	1.5
85.10181	8.1
89.36484	1.2
95.08592	9.3
95.58507	1.3
98.21424	2.0
98.98451	3.9
109.10123	4.8
109.36720	1.2
119.64069	1.2
155.01022	6.6
158.71132	1.4
174.69431	1.3
203.67044	1.4
211.20525	2.3
254.24796	9.7
276.67093	1.6
285.24255	100.0
286.24582	5.5
286.89706	1.5
365.20813	3.7
418.37805	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.05503	0.6
56.03655	0.2
56.96544	0.4
61.02901	0.3
67.05499	0.7
69.07051	0.3
70.06573	0.7
71.59867	0.4
72.08146	0.5
77.03937	0.4
79.05479	2.0
81.03400	0.7
81.07053	0.5
82.06552	0.4
85.02885	0.4
86.06110	0.3
86.09681	0.6
87.18415	0.2
91.05474	0.8
93.07049	1.0
95.04970	2.3
95.06078	0.9
97.02901	0.3
97.06530	0.5
98.06058	0.4
100.11252	0.4
105.04512	0.3
105.07031	0.8
107.04946	100.0
108.05305	1.5
108.08106	8.0
116.98582	0.2
119.08546	0.3
120.08104	2.5
121.06484	1.3
132.08078	0.4
133.06487	1.5
134.09641	0.3
134.99608	0.3
157.61281	0.2
169.06592	0.2
190.09737	0.5
193.12202	0.3
194.60742	0.3
196.16910	0.5
197.08432	0.4
198.09174	0.8
200.10704	0.9
210.09087	0.5
211.09914	0.5
212.10712	1.0
214.12250	14.4
215.12700	0.5
226.12297	2.6
227.12906	0.3
239.21696	0.2
271.11978	0.4
288.19501	0.6
302.18613	0.3
304.13293	0.4
306.14990	0.6
306.20630	0.3
318.14774	1.5
319.15604	0.5
320.16418	22.6
321.16766	0.9
350.01920	0.3
426.20609	3.6
426.26074	1.4
444.79636	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03902	0.5
55.05492	1.2
57.03412	0.9
59.04979	1.1
61.02891	0.8
67.05499	10.7
68.05012	0.6
69.03388	0.9
69.07035	1.1
69.58003	0.5
69.58325	3.7
70.06588	2.8
70.06893	0.4
71.78692	0.4
79.05458	0.9
81.03373	0.8
81.07046	1.0
83.08598	0.7
84.04493	0.6
84.08119	1.2
85.02897	2.3
85.06509	1.1
86.09696	0.6
87.04412	0.7
91.05441	1.6
93.07014	0.8
94.06528	0.9
95.04969	4.8
95.08561	1.1
96.08120	0.6
97.02886	1.1
98.06035	0.5
105.07022	0.6
106.06508	1.5
107.04945	6.2
107.07305	0.7
107.08472	0.5
108.08114	1.0
109.09483	0.7
109.10149	8.8
110.06025	0.9
110.07158	1.2
119.08538	1.1
120.08123	4.9
124.07597	3.5
127.07519	1.9
134.05963	2.1
136.07530	0.8
137.05957	0.6
138.05516	0.6
138.09116	0.9
144.04425	0.7
146.06006	0.8
147.05463	0.9
152.06981	0.7
155.10667	0.6
161.05785	0.8
161.07092	15.3
162.05530	0.7
164.07082	1.0
166.08640	0.8
172.03931	5.5
173.11765	3.7
180.08107	0.6
184.07518	0.6
185.10738	1.6
186.11499	0.6
196.09778	0.5
197.08406	0.7
198.09296	0.6
199.08565	0.8
204.06564	3.4
210.09116	1.5
211.09914	1.2
212.07118	0.5
212.10698	7.6
213.10219	5.4
214.10887	2.6
224.10638	0.5
226.12263	9.4
229.09621	0.5
229.14351	16.3
234.98996	0.9
235.99371	0.6
241.09677	5.5
243.11110	0.6
256.09622	0.7
261.12402	2.4
270.11252	0.7
271.12027	24.8
272.12903	2.8
273.12317	100.0
274.12720	3.3
289.15369	0.5
296.18823	0.5
303.13351	0.8
327.24875	0.6
346.16638	0.5
367.16541	1.8
391.16489	1.0
395.15845	0.5
398.20685	5.3
409.17645	3.0
426.20215	58.6
427.18829	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	426.2022
Annotation	(+)-Cyclotryprostatin B
Peak:m/z	Relative Intensity
55.05493	0.5
59.04995	0.8
61.02906	1.1
67.05177	0.4
67.05496	6.6
70.06583	2.5
71.04967	1.0
71.11950	0.7
71.12275	0.5
72.08121	0.4
79.05466	1.0
81.03389	0.4
81.07031	0.6
83.43488	0.4
84.04472	0.6
84.08115	0.5
85.02912	1.0
85.06544	0.8
86.09687	0.6
91.05441	1.2
93.07028	0.8
94.06552	0.8
95.04957	4.8
95.06039	0.5
96.08110	0.5
103.03846	0.4
105.06985	0.5
106.06496	0.7
107.04929	3.4
107.07312	0.7
108.08099	1.0
109.02873	0.5
109.10145	5.7
110.06026	0.7
110.09604	0.6
111.08096	0.4
117.06902	0.4
119.08556	0.6
120.08102	3.3
123.04451	0.4
124.07555	2.8
127.07510	1.3
129.69901	0.4
134.05992	1.9
136.07556	1.0
138.09158	0.9
146.00168	0.5
146.05991	0.9
147.05513	1.2
155.10741	0.6
161.07091	15.8
162.05449	0.8
164.07001	0.9
166.08595	0.5
170.08302	0.5
172.03902	5.6
173.07147	0.5
173.11777	2.9
174.07863	0.8
176.06996	0.7
185.10721	1.0
188.07097	0.6
196.07550	0.8
197.08435	0.6
198.09222	0.8
199.08575	0.5
201.10139	0.8
204.06619	2.8
210.09163	1.0
211.09966	1.0
212.10725	4.6
213.08786	0.4
213.10248	4.9
214.10916	2.3
226.12253	7.5
229.14316	13.4
234.98943	0.6
235.99353	0.6
241.09677	4.9
256.09683	0.7
261.12384	1.3
270.11325	1.0
271.12012	23.5
272.12674	2.7
273.12308	100.0
274.12579	4.4
304.44464	0.4
367.16611	2.2
374.57837	0.5
391.16370	1.1
398.20755	5.5
409.17722	2.9
426.20187	63.3
427.18777	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	426.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98754	1.8
55.01868	2.4
55.05513	11.9
56.05028	5.7
56.96558	4.7
57.03433	15.4
58.06597	5.1
60.04519	6.3
60.05655	2.0
60.08149	2.2
62.06081	9.4
63.93705	1.8
67.05499	16.5
69.03419	7.5
69.07058	7.4
70.06202	3.5
70.06590	70.0
71.04980	4.1
71.06930	3.2
71.58502	1.9
71.58915	4.1
72.08160	20.8
73.88081	1.9
74.06086	3.2
79.05480	19.5
81.03418	48.7
81.07057	22.5
82.06574	4.4
83.04974	7.0
83.06090	2.6
83.08610	11.7
84.04508	12.6
84.08143	22.3
85.02900	20.6
86.06063	12.3
86.09701	42.5
87.05634	3.1
87.10020	2.4
88.03984	3.2
91.05481	24.9
93.07053	10.2
95.04970	20.2
95.06092	2.3
95.08606	8.0
97.02896	5.3
97.06526	7.2
98.06061	4.7
98.98456	9.7
102.05502	3.7
104.10751	4.2
105.07036	13.9
106.05003	4.0
107.04948	24.8
107.08588	6.5
108.05289	4.1
109.06488	4.5
110.07162	14.6
111.08087	6.9
112.08767	2.7
116.07093	4.0
116.98572	2.6
117.07018	2.8
119.08556	12.6
120.08115	22.0
121.06519	4.0
121.10134	7.9
123.08060	3.9
123.11685	7.2
125.00048	2.8
127.08712	2.4
129.06990	7.4
129.10234	12.5
130.05049	3.9
131.08559	8.0
132.55516	2.0
133.06519	6.9
133.10130	9.4
136.06198	2.4
136.07538	4.7
147.07973	2.6
147.11708	12.7
149.09610	5.4
155.01038	5.0
156.07689	2.4
157.06442	2.7
157.10109	9.0
165.12740	4.6
175.11145	10.5
184.07344	10.0
193.12259	43.3
210.14864	2.4
211.13316	17.4
216.06308	3.5
218.15320	2.6
229.14485	2.5
231.15952	5.9
236.16481	6.1
237.13013	2.5
238.81758	2.1
243.15974	6.6
254.17488	2.6
267.15918	100.0
278.13184	4.0
285.16949	80.2
289.74579	2.3
303.12787	3.7
320.15387	2.8
321.14688	2.3
347.12604	12.3
365.13528	5.2
377.06030	2.5
390.16971	3.6
408.17725	9.1
422.80951	2.8
426.18976	8.2
426.24380	5.0
427.15421	2.5
439.35852	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	426.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.1
55.99498	1.1
57.03440	8.5
57.07076	1.4
63.08987	0.9
63.41479	0.9
67.05506	14.3
69.07067	8.6
70.06596	13.0
71.05000	1.7
71.06953	1.1
72.08152	3.4
79.05498	9.7
81.07058	46.0
82.54247	0.9
83.04977	2.7
83.08614	4.8
84.04486	2.0
84.08148	4.2
85.06539	3.6
86.09709	8.8
91.05476	13.7
93.07048	6.6
95.04955	2.0
95.08601	10.9
97.06542	4.8
97.10170	1.2
98.21498	3.4
99.08106	2.6
100.11282	1.3
105.07039	15.0
107.04955	5.2
107.08569	6.3
109.06504	2.7
110.07169	5.1
117.07043	1.2
119.08587	15.3
120.08101	5.2
121.10143	7.4
123.08047	2.6
123.11702	13.9
127.07529	1.6
129.07010	1.6
129.10246	2.3
131.08603	2.4
136.07698	1.2
147.11681	36.1
156.07751	1.5
157.10117	2.1
165.12755	22.7
165.91972	1.0
175.11180	2.1
183.13847	2.5
193.12346	1.5
223.07625	1.2
229.14337	5.4
229.52425	1.1
236.16281	1.5
267.16006	4.7
271.12036	2.3
285.16956	100.0
286.17276	1.5
306.84717	1.0
426.25320	1.9
433.34238	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71547	1.6
55.01858	3.3
55.05504	8.4
56.05036	2.4
57.03429	10.9
58.06585	3.1
61.70204	1.8
62.06085	34.2
67.05499	21.7
69.03423	2.1
69.07067	12.0
70.06592	12.6
71.04986	4.0
71.10861	3.8
72.08147	3.9
75.04494	2.2
79.05502	11.7
81.03424	2.3
81.07052	51.7
83.04961	6.9
83.08606	7.0
84.04499	3.2
84.08129	7.3
85.06552	3.4
86.09701	18.6
91.05468	14.9
93.07040	9.2
95.04961	4.4
95.08616	14.8
97.06516	4.0
98.98464	18.1
99.08069	2.8
100.11249	1.9
104.10708	3.0
105.07040	17.8
107.04962	23.5
107.08624	8.5
107.98033	2.0
109.06503	3.0
109.10155	3.3
110.07165	5.0
115.05476	1.7
117.07052	2.7
119.08591	16.5
120.08126	4.8
121.10107	11.5
123.08052	2.7
123.11681	14.7
124.01562	2.0
125.00008	7.3
127.07613	2.2
129.06952	2.7
129.10185	3.2
131.04898	2.6
131.08459	2.3
133.10152	2.3
141.06989	1.9
145.06523	2.2
145.10051	2.4
147.11696	42.0
149.09503	2.1
155.01038	7.2
157.06502	2.0
157.10141	2.7
165.12740	29.8
173.02092	4.2
183.13734	2.6
184.07339	30.0
193.12314	2.4
198.05246	2.1
216.06274	2.5
229.14288	4.0
236.16476	3.9
254.17693	5.6
266.02811	1.8
267.15921	51.1
268.16159	2.7
285.16946	100.0
286.17291	2.1
319.13214	11.9
334.13638	2.4
347.12503	28.5
365.13559	9.8
379.14255	2.0
390.16666	3.0
408.17700	7.0
426.18695	5.0
426.25888	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	426.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
55.01871	3.8
55.05276	1.4
55.05517	16.3
56.05043	1.8
56.40541	1.6
57.03438	8.4
57.76370	1.2
67.05507	18.3
69.03428	1.6
69.07065	8.6
70.06598	12.4
71.05006	2.5
71.19731	2.5
72.08163	5.9
73.02925	1.9
79.05497	10.4
81.07061	45.3
82.06577	3.6
83.04996	5.9
83.08630	9.1
84.04494	2.4
84.08150	5.8
85.06570	3.0
86.09705	8.4
88.62749	1.2
91.05481	14.1
93.07027	10.1
95.04983	2.1
95.08612	17.3
95.30589	1.1
97.06519	3.3
98.06078	1.3
98.09698	1.8
98.98537	1.7
99.08106	3.9
100.07612	2.4
100.11261	14.5
105.07036	18.2
107.04950	14.5
107.08600	7.3
108.05240	1.3
109.06514	2.5
110.07152	4.8
111.04436	4.6
112.07555	1.3
113.05997	1.7
119.04968	1.8
119.08591	16.8
120.08111	4.4
121.10152	9.9
123.08087	2.4
123.11720	13.8
124.99982	2.1
126.09147	1.7
126.12852	1.4
128.07100	3.3
129.05461	1.9
129.06982	2.6
129.10263	1.8
131.08527	1.8
133.06482	1.5
133.10165	2.0
144.13831	2.9
147.11696	38.5
155.07027	5.3
156.07629	1.9
157.06516	1.5
157.10205	1.4
158.06056	1.3
165.12773	22.3
177.12596	2.2
178.04971	1.3
182.15405	10.1
183.13812	4.6
184.07367	7.4
191.12495	1.7
209.16528	3.4
210.14923	13.0
226.19171	1.4
227.17561	2.7
229.14420	10.4
236.16452	2.4
240.67587	4.1
247.07921	1.6
254.17574	2.7
262.09698	1.4
267.15948	8.7
271.18915	6.2
285.16980	100.0
286.17313	1.9
310.20291	1.8
331.74405	1.5
344.75620	1.6
353.75854	3.1
407.43259	1.2
408.25031	2.0
426.18854	1.4
426.25250	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	426.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.0
55.01876	3.7
55.05515	8.3
56.96563	3.6
57.03439	7.5
57.07072	1.8
62.06089	22.1
62.23085	2.1
67.05503	15.0
69.07069	12.3
70.06592	13.3
71.04994	10.6
71.58675	1.7
72.08158	4.5
79.05495	11.9
81.03435	2.0
81.07057	45.2
82.06583	2.0
83.04967	5.9
83.06036	1.7
83.08630	6.5
83.48219	1.6
83.86391	1.6
84.08144	7.0
85.02910	12.0
85.06537	3.8
86.06090	1.6
86.09705	10.7
91.05489	15.4
93.07063	10.2
95.04959	4.0
95.08597	15.9
97.06519	5.4
98.06054	3.3
98.98470	10.7
100.07619	1.7
100.11253	5.9
103.05452	1.8
104.10762	3.4
105.07030	21.0
107.04954	29.1
107.08600	7.8
109.06538	2.9
110.07144	2.6
111.04430	2.3
111.25461	1.6
112.03907	1.7
119.08571	13.8
120.08113	18.0
120.83702	1.7
121.10130	9.6
122.52699	1.7
123.11715	13.9
128.07118	2.6
129.07024	2.5
129.10222	3.4
131.04944	4.6
131.08517	2.3
133.06493	2.9
145.06511	7.0
145.10120	2.5
147.11694	35.0
155.01019	8.1
157.06506	2.2
165.12749	30.2
175.11214	3.4
182.15395	2.6
183.13828	3.5
184.07336	4.2
193.12186	1.7
196.29501	1.8
205.76659	1.9
210.14847	5.2
216.06386	2.7
227.17639	2.1
229.14297	5.2
233.16422	5.0
236.16493	14.0
245.09497	2.2
249.08992	1.8
254.17677	5.2
263.10678	3.5
267.15918	100.0
285.16943	74.0
310.20245	8.5
319.13177	9.5
328.21198	2.2
347.12518	24.4
365.13651	8.5
390.16919	10.0
408.17859	7.6
409.14224	2.3
426.19034	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3414
Annotation	Koelpinin C
Peak:m/z	Relative Intensity
53.03934	4.3
54.54060	2.0
55.05510	42.9
57.07072	13.8
61.13559	2.2
67.05501	21.4
69.03442	2.6
69.07067	43.5
70.14641	3.6
70.15038	5.6
71.08627	8.4
73.26060	2.2
73.54886	2.2
77.03947	2.3
79.05498	16.8
81.07057	46.5
83.08621	53.4
91.05475	18.8
93.07046	32.6
95.04984	4.0
95.08607	36.6
97.06536	4.8
97.10169	19.8
98.20788	3.3
105.07020	26.2
107.04964	3.6
107.08600	50.1
109.06523	6.5
109.10157	23.8
111.11723	3.6
117.07020	5.2
119.08571	18.7
121.06539	3.5
121.10139	22.0
123.08057	5.5
123.11740	8.5
129.07008	4.1
130.85654	2.2
131.08578	14.1
133.10138	24.8
135.08075	5.1
135.11691	10.9
137.09621	2.7
137.13252	8.4
141.07042	3.1
142.07851	2.5
143.08565	10.3
145.10121	20.4
147.08131	3.6
147.11696	18.3
149.09668	3.9
149.13252	5.9
151.11186	3.1
151.14835	3.2
155.08597	4.8
157.06520	2.2
157.10141	11.2
159.08052	4.0
159.11671	23.7
161.09648	10.1
161.13287	6.7
163.11218	6.2
163.14787	5.0
165.16405	2.3
167.08638	2.1
169.10153	7.3
171.08061	3.4
171.11688	10.6
173.09718	3.9
173.13245	16.2
175.11240	7.6
175.14919	7.8
177.12746	2.6
177.16431	3.7
183.11681	7.4
185.09624	2.4
185.13327	7.9
187.11241	6.1
187.14865	9.0
189.12752	2.7
191.14319	3.7
193.16028	2.7
195.11719	5.4
197.13330	8.4
199.11241	2.7
199.14832	6.4
201.12759	2.9
201.16368	2.8
203.14362	2.6
207.11848	2.3
207.13853	2.6
209.13179	4.9
211.11316	2.7
211.14871	6.4
213.16432	6.8
215.18013	6.6
223.14851	5.2
225.16393	5.0
227.14352	3.7
227.18027	4.6
231.21030	2.5
233.19044	3.0
237.16312	2.7
239.17979	6.5
251.17973	7.0
253.15717	2.3
253.19452	3.9
259.17139	3.3
261.18680	4.4
263.18167	2.8
265.19717	2.2
267.17538	11.6
269.18936	13.8
271.20572	4.1
279.21106	3.6
283.20526	2.6
285.18658	3.7
285.22079	2.3
287.20129	13.4
295.20593	2.6
297.22119	3.1
309.22357	3.7
315.23245	7.0
323.23782	5.7
325.25082	2.4
327.23123	2.8
329.24652	2.7
337.25220	3.6
341.24792	10.9
355.26563	3.3
365.28406	3.0
389.32294	6.9
407.33231	60.7
408.33453	3.9
425.34232	100.0
426.34573	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	425.3412
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
52.07249	5.4
53.03941	8.1
55.05511	36.8
57.07061	24.4
67.05493	13.2
69.07072	60.7
70.10143	12.2
70.10538	10.3
71.08614	13.5
73.42284	4.6
78.62502	4.3
79.05487	14.7
81.07056	41.8
83.08624	49.5
84.37866	4.8
85.10170	9.8
91.05473	19.6
93.07045	64.3
95.04945	6.1
95.08607	40.3
97.06509	5.3
97.10168	24.2
105.07015	31.0
107.08594	29.8
109.06480	11.8
109.10143	20.9
111.11720	7.5
117.06973	9.8
119.08567	12.6
121.06493	15.2
121.10137	18.6
123.08038	6.4
123.11709	5.9
125.05980	8.6
131.08580	13.5
133.10103	15.1
135.08043	19.9
135.11714	11.5
137.13287	10.1
139.07513	5.9
143.08614	6.2
145.10136	7.7
147.07964	9.4
147.11655	7.2
149.09581	10.2
149.13286	8.3
151.07530	45.6
157.10034	4.8
159.08041	7.3
159.11731	6.8
163.11082	6.4
171.11708	9.2
173.09598	13.7
175.14774	4.5
177.09137	15.8
177.16368	12.8
183.11731	8.4
183.13498	4.4
185.13194	8.5
191.17957	7.8
193.12256	6.1
193.19441	5.6
201.12746	9.1
215.14368	5.6
233.15242	5.4
235.16826	5.8
241.15694	6.0
247.16983	14.4
287.20062	31.6
315.26865	4.9
333.27734	14.2
376.48947	4.9
407.32965	22.9
425.34119	100.0
426.34485	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	425.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12997	1.0
53.03959	1.0
55.05267	1.5
55.05513	20.8
57.07077	10.8
69.07073	17.6
69.59865	2.3
69.60272	5.9
69.73877	0.9
71.08635	2.5
79.05497	1.5
79.53130	1.0
81.07050	8.7
83.08619	54.8
83.09123	2.6
90.20269	1.1
91.05483	3.2
93.07030	2.9
95.08602	2.9
97.10178	7.5
105.07027	7.6
107.08618	2.3
109.10156	2.2
111.53252	1.1
116.53069	1.1
119.08585	3.7
121.06511	4.0
131.08542	1.1
133.06497	1.3
133.10101	2.1
143.08566	2.6
145.10139	3.4
147.08121	2.0
147.11690	11.7
155.20482	1.3
157.10143	2.4
159.08054	6.6
161.09653	2.3
173.09625	4.9
173.13257	1.4
175.11189	46.5
176.11539	1.5
183.11641	1.3
185.13263	1.7
187.11076	2.0
195.11592	1.2
201.12759	9.2
201.16408	1.4
215.14342	4.6
219.13821	1.4
227.14307	2.4
231.13806	2.1
233.15369	4.8
245.15431	3.2
249.49242	1.1
251.18039	1.6
268.51630	1.3
269.19000	4.9
285.18451	2.6
287.20050	100.0
288.20447	3.5
301.21790	1.1
341.24716	3.8
403.10056	1.2
407.32758	2.6
425.34146	11.0
432.32547	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3414
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
55.05516	41.9
57.07076	18.6
67.05497	12.8
69.07067	38.8
70.85086	9.8
70.85498	9.3
71.08631	5.6
72.67941	4.1
73.89668	4.0
75.77612	4.0
77.38010	4.2
79.05489	15.6
81.07067	35.4
82.71791	4.3
83.08625	54.4
83.33104	4.1
85.15369	4.2
91.05491	14.0
93.07030	25.5
95.08596	21.1
97.10172	18.0
105.07062	24.9
107.08585	18.7
107.36472	5.1
109.10163	13.2
117.07050	7.1
119.08597	18.1
121.06503	8.5
121.10162	16.9
123.11704	5.8
131.08560	13.7
133.10168	10.3
135.11664	9.2
143.08586	7.9
145.10147	19.8
147.11708	14.9
149.13303	9.3
157.10136	9.0
159.08072	6.3
159.11707	13.9
160.32726	4.6
161.09572	5.7
161.13307	7.1
169.10117	9.0
171.11711	8.8
173.09624	10.2
173.13167	5.0
175.11156	17.1
175.14841	5.4
176.48964	4.6
185.09560	5.7
187.14882	11.6
201.12773	14.3
201.16408	8.2
213.16412	9.9
215.14330	5.0
225.16440	7.6
267.17346	6.3
269.19131	5.9
285.18478	9.3
287.20135	23.0
376.28806	4.9
407.28421	4.8
407.32843	30.5
425.21594	10.3
425.34100	100.0
425.39386	6.7
426.34702	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	425.3412
Annotation	Maragenin II
Peak:m/z	Relative Intensity
55.05510	54.8
57.07069	19.9
59.49409	3.7
67.05505	24.8
69.07066	59.1
70.31847	7.4
70.32240	6.3
71.08607	9.2
79.05471	14.3
81.07045	41.7
83.04986	4.7
83.08617	100.0
85.10138	7.8
89.06003	5.3
91.05463	16.4
93.07042	30.4
94.19759	3.3
95.04943	7.0
95.08600	46.5
97.02872	17.4
97.06507	3.7
97.10151	14.6
99.04447	5.1
105.07033	27.2
107.08566	16.1
109.10135	14.4
117.06999	7.4
119.08582	17.7
121.10134	10.5
123.11694	5.2
127.03902	5.7
131.08548	14.0
133.10112	11.7
135.08118	8.5
135.11688	5.0
137.13287	7.0
139.14764	3.5
141.07014	4.1
143.08556	10.4
145.10110	12.0
147.07977	4.4
147.11630	8.7
149.13190	4.9
155.08516	8.2
157.10155	10.6
159.08093	5.3
159.11682	6.4
161.09575	7.8
169.10078	4.8
171.11638	5.0
173.09618	5.4
175.11186	9.3
177.12758	7.7
183.11652	6.1
195.11719	5.0
197.13220	4.9
199.14833	4.7
211.14832	3.9
213.12744	4.5
223.14870	5.2
227.14282	6.1
263.23657	6.4
264.05124	5.2
267.17398	4.8
269.18930	8.8
276.46539	3.9
285.18311	4.5
296.31409	3.5
407.28406	5.7
407.33105	50.6
408.33719	5.4
425.34171	57.0
426.34232	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	425.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.7
55.05513	49.8
56.96550	5.7
57.07065	9.8
59.87648	2.7
67.05504	27.0
69.07069	56.2
70.06585	7.0
70.94977	10.0
71.08627	3.5
79.05502	21.1
81.07062	40.5
83.08614	33.7
84.08138	4.5
86.09721	3.5
89.09692	3.2
91.05472	26.4
93.07043	26.2
95.05013	5.8
95.08607	37.6
97.06547	4.4
97.10162	17.5
99.08141	3.4
104.97400	3.5
105.07013	32.4
107.04956	25.3
107.08602	24.1
109.06503	4.2
109.10162	26.9
112.99995	4.9
115.05418	3.6
116.20586	3.4
117.07026	9.6
119.04969	4.6
119.08574	22.9
121.02848	17.6
121.06512	26.7
121.10143	11.0
123.08083	7.3
123.11702	12.9
125.09587	4.5
128.06238	3.8
129.07024	9.3
131.08554	21.4
133.06511	15.7
133.10158	12.2
135.08032	10.1
135.11670	7.0
137.13268	8.5
143.08578	11.0
145.06447	7.9
145.10117	20.0
147.08058	9.7
147.11679	23.5
149.09509	5.4
149.13217	3.6
155.08583	4.5
156.35736	3.8
157.06520	9.5
157.10118	14.7
159.08052	47.9
159.11720	14.7
161.09685	7.8
169.10155	3.2
171.08066	4.0
171.11743	7.4
173.09671	20.1
173.13278	10.4
175.11172	59.9
177.12697	3.5
179.69177	3.4
183.08022	6.2
183.11780	10.3
185.09584	4.5
185.13327	9.1
187.11223	4.3
187.14830	10.4
189.12767	6.9
195.08083	6.5
195.11658	4.0
197.09486	3.7
197.13292	6.6
199.11240	5.4
199.14833	6.6
201.12764	49.1
201.16444	4.3
203.14307	7.3
211.11227	5.3
211.14795	4.5
213.12672	5.0
215.14282	32.8
219.13901	9.7
223.11182	4.8
223.14931	3.8
225.16292	4.9
227.14377	8.7
229.15828	4.8
231.13927	5.9
233.15355	28.9
245.15398	15.1
267.17685	4.5
269.18961	5.6
279.33054	3.4
285.18497	9.2
287.20053	100.0
288.20560	5.2
301.21652	19.2
313.21643	26.3
315.23126	19.9
327.23279	17.9
329.24875	4.3
341.24854	11.0
351.14874	8.8
360.78845	3.3
369.15665	3.9
407.33203	9.4
408.27466	3.3
425.19653	5.3
425.25128	51.2
425.34393	70.0
426.25345	5.2
426.34735	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	425.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.1
55.01876	4.9
55.05514	54.8
57.03438	4.4
57.07078	27.3
58.26992	3.5
67.05500	45.9
69.03423	7.7
69.07075	57.7
69.25943	39.5
69.26343	6.5
69.93137	3.6
71.04993	3.9
71.08633	14.1
79.05513	26.7
81.07059	57.0
83.08623	100.0
85.02913	7.3
85.10197	9.7
91.05480	26.5
93.07040	42.0
95.04980	7.3
95.08614	44.9
97.02899	52.7
97.06480	4.5
97.10183	13.0
99.04467	9.1
105.07028	35.2
107.08609	22.3
109.02829	6.4
109.10174	27.0
111.08054	4.8
117.06983	6.7
119.08597	16.0
121.06543	10.4
121.10159	17.8
123.08069	4.5
123.11718	4.7
127.03934	11.6
129.07034	5.9
131.08588	15.1
133.10114	13.7
135.08052	7.9
135.11693	5.4
137.13321	6.0
143.08588	9.9
145.10167	9.9
147.11650	5.1
155.08571	9.8
157.10211	10.2
159.08086	5.4
159.11679	9.8
161.09644	6.5
161.13310	6.3
169.10115	8.2
171.08165	6.8
171.11734	7.8
173.09622	8.0
173.31381	3.9
175.11209	10.7
177.12723	10.0
183.11751	8.5
184.23793	4.3
195.11723	7.0
197.13213	8.6
213.12589	4.3
223.14845	4.9
227.14194	6.2
239.17920	5.5
251.17784	5.6
263.23630	6.8
267.17471	4.9
269.19135	7.2
285.18414	6.9
287.20041	4.6
288.96786	4.0
331.26370	7.2
341.42093	3.8
360.89227	4.2
407.33124	50.5
425.34381	66.5
426.34509	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	425.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	12.1
55.01864	19.7
55.05513	35.8
57.03431	9.8
57.07074	13.0
57.88057	4.1
60.38623	3.9
65.03939	3.9
67.05507	100.0
68.37631	3.8
69.03427	26.7
69.07070	39.4
70.64924	13.5
70.86375	3.9
71.04991	13.4
71.08651	5.0
73.02919	9.7
79.05489	33.3
81.03420	39.8
81.07056	92.0
83.04994	4.9
83.08601	20.6
85.02920	11.5
85.10170	5.9
88.44347	4.0
91.05474	27.3
93.07055	42.0
95.04970	9.7
95.08031	3.2
95.08608	75.9
97.02895	79.1
97.10182	11.2
99.04453	57.0
105.07034	16.6
106.95438	4.1
107.04988	4.4
107.08601	21.7
109.02888	23.6
109.10144	30.5
111.04458	4.6
111.08110	4.3
111.11808	3.9
117.07069	5.6
119.08623	22.6
121.10159	15.0
123.11712	17.8
127.03915	57.4
129.05496	5.8
131.08580	8.8
133.10126	19.3
135.11693	13.5
137.13261	5.7
145.04962	8.4
145.10143	6.5
147.11708	8.3
149.09584	5.0
149.13245	7.4
155.08635	3.9
161.13280	6.7
163.14801	5.5
173.13278	4.5
175.14856	7.8
233.28362	3.9
245.22697	8.5
261.22000	6.4
263.23724	32.2
323.23569	4.1
341.24792	4.3
425.34006	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	425.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.9
55.01863	7.4
55.05513	47.5
57.03436	3.4
67.05505	91.0
69.03429	8.9
69.07070	25.8
70.06583	11.9
70.45216	13.3
71.04984	7.4
72.08148	7.1
73.02901	3.4
79.05499	49.9
81.03437	3.9
81.07059	94.8
83.04963	10.4
83.08630	32.4
84.08160	6.0
85.06551	7.7
86.09689	9.8
91.05479	42.0
93.07051	65.8
95.04979	20.8
95.08613	45.2
95.76336	3.5
97.06525	15.4
97.10177	47.1
98.20737	3.8
104.10745	7.9
105.07027	28.5
107.04958	49.7
107.08598	35.2
109.06536	15.2
109.10160	12.2
111.08076	8.1
117.07017	24.0
119.08566	22.9
121.06509	11.5
121.10174	16.3
123.11729	3.5
125.09659	31.5
129.07007	11.1
131.04929	9.2
131.08600	27.7
133.10130	28.9
135.08017	10.6
135.11670	31.4
145.06451	8.3
145.10143	10.0
147.11713	6.0
149.13264	54.8
155.08420	3.6
157.06555	5.9
157.10117	8.3
159.11714	49.3
169.10147	5.1
173.13322	7.9
175.11226	4.4
177.12761	42.3
184.07307	8.1
185.13220	5.9
189.11320	16.7
189.16312	5.1
195.13818	100.0
199.14839	5.5
201.16454	3.4
207.08313	3.8
213.14835	22.3
217.15929	7.4
219.17288	3.5
221.15321	10.2
224.07762	3.7
235.16980	31.9
249.99239	3.7
253.18031	23.7
263.10733	6.0
263.16629	3.6
353.24710	6.1
359.25763	3.7
365.11505	4.8
371.25919	16.3
389.12204	3.6
389.26917	13.4
407.28299	8.0
425.13101	4.5
425.24969	52.2
426.25107	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	425.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.6
53.57351	2.7
54.77080	2.8
55.01861	7.7
55.05265	5.2
55.05509	66.5
57.07070	18.8
58.07359	3.1
66.08851	2.6
67.05173	4.8
67.05506	61.7
69.03429	12.3
69.07065	61.6
69.56432	25.1
71.04990	5.8
71.08624	12.8
73.02924	3.8
79.05482	27.6
81.03437	14.3
81.07056	76.1
83.04970	2.9
83.08614	100.0
85.10204	3.7
91.05474	29.2
93.07037	42.5
95.04963	5.6
95.08602	48.6
97.02884	34.7
97.06518	4.4
97.10142	19.7
99.04446	21.3
105.07022	32.0
107.04967	4.2
107.08577	23.7
109.02879	3.7
109.06505	5.0
109.10152	22.0
111.04460	5.3
111.08106	3.6
113.85513	3.0
117.06977	4.1
119.08590	18.4
121.10133	20.1
123.08065	4.9
123.11712	12.9
127.03907	14.8
129.06964	3.8
131.08562	15.5
133.10072	14.7
135.08083	7.1
135.11702	7.6
137.13225	5.7
143.08553	6.8
145.04961	5.1
145.06490	3.6
145.10162	8.8
147.08055	4.0
147.11696	10.3
149.09544	7.7
149.13254	7.6
151.14783	3.8
155.08546	5.6
157.10144	3.8
159.08032	4.0
159.11710	4.3
159.65773	3.5
161.09593	5.3
161.13266	8.9
163.14804	3.3
169.10124	3.8
171.11684	7.3
173.13245	4.2
175.14818	5.8
177.12743	4.6
181.10069	3.8
183.11729	6.1
185.13281	3.8
187.14915	3.8
189.16409	3.8
191.10504	4.0
195.13914	3.2
203.14217	4.1
212.18791	3.7
213.12747	3.8
215.14256	4.6
238.53386	3.8
245.22539	4.3
251.18036	5.3
263.23749	10.4
269.19046	10.3
287.20160	7.3
291.22934	3.1
323.23364	4.2
329.24857	3.8
389.27084	4.9
407.27924	6.3
407.32898	39.4
425.29086	3.8
425.34128	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33962	0.4
55.05504	1.2
56.96562	0.6
57.03433	0.5
67.05498	1.7
69.03443	0.4
69.07077	2.2
69.38952	0.4
69.39240	4.0
70.06589	1.9
72.08170	0.5
79.05496	1.8
81.03409	0.6
81.07067	3.2
83.08600	1.1
84.08132	0.6
86.09709	0.6
87.62011	0.4
91.05479	1.5
93.07037	2.2
94.06610	0.4
95.08614	2.3
97.06589	0.4
100.11224	0.4
105.07040	2.2
107.04955	1.5
107.08601	1.3
109.06552	0.7
109.10158	1.9
110.07141	0.5
113.00019	4.3
113.09634	0.5
117.06997	0.6
119.08556	1.5
121.10143	1.0
123.11699	0.8
129.06992	0.4
131.08583	1.4
131.53813	0.4
133.10153	1.0
135.07996	0.5
135.11734	0.5
137.13239	0.8
141.84637	0.5
143.08565	0.9
145.06528	0.4
145.10103	2.1
147.11716	0.7
155.08598	0.8
157.10130	0.8
159.08052	0.6
159.11723	0.7
169.02626	3.2
169.10115	1.1
171.08090	0.6
171.11737	0.7
177.08907	0.5
179.24571	0.4
183.11758	0.8
191.10841	0.5
193.10223	0.5
197.13194	0.7
210.67319	0.5
227.05263	1.1
227.14397	0.4
232.49234	0.5
239.17946	0.6
253.15883	0.5
257.18854	0.6
271.04245	4.0
271.16983	0.5
272.04739	0.4
341.60123	0.4
365.16681	0.5
381.15463	1.1
407.29620	1.4
425.13947	3.3
425.25143	100.0
426.15189	0.4
426.25519	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	425.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.05503	1.3
56.96576	0.6
60.04502	0.4
67.05494	1.6
69.03433	0.5
69.07058	1.6
69.61838	1.4
69.62267	1.8
70.06587	1.1
71.08620	0.4
72.08134	0.5
79.05497	1.3
81.03437	0.4
81.07067	2.5
83.08611	0.7
84.04487	0.8
84.08138	1.0
84.75281	0.4
86.09689	0.7
91.05485	1.6
93.07029	2.0
93.23521	0.4
95.04950	0.5
95.08611	2.1
95.24332	0.4
97.10180	0.5
98.20695	0.4
105.07029	1.8
107.04946	2.4
107.08614	1.1
109.10143	1.7
115.43391	0.4
118.09949	0.4
119.08613	0.7
121.02849	0.6
121.06503	0.8
121.10072	0.5
123.11674	0.6
128.06168	0.5
129.06987	0.4
131.08566	1.6
135.11754	0.6
145.06465	0.6
145.10101	1.0
155.08615	0.5
157.10115	0.5
159.08063	0.7
159.11774	0.9
165.09027	0.5
185.13220	0.4
185.55092	0.5
193.10107	0.5
195.08360	0.5
218.07260	0.4
253.15808	1.0
271.13470	0.4
287.03799	0.8
289.05243	1.0
289.92883	0.4
302.82956	0.4
331.10629	0.4
333.19000	0.4
337.19125	0.5
351.20996	0.5
355.17264	0.5
392.11072	0.4
407.24475	0.6
407.29465	0.8
425.25073	100.0
426.25467	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	425.251
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28947	0.3
55.01880	0.3
55.05505	0.7
56.00850	0.3
67.05495	0.7
69.03406	0.3
69.07053	0.5
70.06574	0.7
70.78706	0.8
73.11195	0.3
79.05480	0.5
81.07059	0.8
83.08594	0.5
83.92220	0.2
91.05460	1.0
93.07024	0.9
95.08607	0.9
103.05432	0.3
105.07030	0.7
107.04953	0.7
107.08559	0.3
113.00015	1.1
117.47274	0.3
119.08566	0.4
120.08073	0.4
121.10138	0.4
122.22202	0.3
131.08553	0.3
133.10071	0.4
145.10121	0.5
159.11697	0.4
169.02646	0.9
195.11682	0.3
238.33112	0.3
327.59906	0.3
351.20187	0.5
355.17300	0.4
417.12378	0.3
425.25089	100.0
426.25473	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38287	12.8
55.05504	19.6
56.96564	53.7
67.05503	35.7
70.06604	16.8
71.32514	19.5
71.52923	13.3
74.53513	13.0
79.05488	22.2
81.07044	30.9
83.08622	13.6
90.26075	12.5
91.05467	16.9
93.07033	21.4
95.08607	32.8
103.30730	11.6
105.07029	16.7
107.04970	31.7
107.08605	21.4
109.10163	20.4
133.10136	17.5
185.09715	15.6
246.05704	12.0
251.09743	13.0
269.10690	70.3
269.19232	14.5
283.01291	15.5
285.10022	25.7
287.11807	29.2
351.18695	16.8
369.19547	36.2
380.36465	17.6
407.25479	18.4
425.22992	100.0
446.28763	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	425.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09355	0.5
55.05501	1.0
55.59900	0.6
57.07061	0.6
59.07631	0.5
67.05507	1.5
69.07065	0.9
70.06571	1.3
70.84832	1.4
70.85144	0.6
76.35244	0.5
79.05501	0.9
79.16255	0.7
81.07051	1.4
83.08595	1.4
84.08134	1.1
91.05471	1.0
93.07057	0.8
94.46098	0.5
95.08609	1.8
105.07029	0.8
107.04935	1.0
107.08617	0.9
111.74256	0.6
119.08576	1.1
123.11682	0.7
133.10144	0.8
135.06076	0.6
145.10110	0.8
157.10147	0.6
159.08015	0.6
330.24817	0.7
351.20532	0.8
402.48871	0.7
407.29279	1.0
425.25098	100.0
426.25507	4.3
449.79950	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	26.9
56.96569	25.6
57.03436	14.0
67.05502	100.0
68.05817	18.1
69.07060	45.0
69.74429	10.8
69.74737	83.7
70.04063	23.1
71.04967	12.4
75.00018	15.4
77.61459	11.2
79.05492	53.2
81.07055	87.9
83.08599	18.5
91.05461	36.9
93.07042	44.8
94.07365	13.0
95.05019	24.6
95.08601	59.9
97.10147	14.4
98.03555	20.0
98.97578	16.2
105.07031	40.8
107.04968	19.9
107.08595	34.9
109.10164	47.7
110.09742	13.5
116.98608	27.4
119.08582	15.7
121.10146	17.0
126.03001	25.0
131.08543	16.5
133.10136	39.2
134.22633	11.7
143.08614	12.6
145.10158	16.7
162.24391	11.2
182.09282	24.8
183.09671	16.6
184.06401	15.9
208.06866	20.6
264.27689	13.9
291.16293	12.7
300.83081	13.6
425.23486	40.1
426.13220	30.9
428.16858	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	425.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
56.05042	3.0
56.96542	0.7
57.05799	0.5
60.05640	1.4
67.05483	0.5
69.03403	0.5
69.04548	0.7
69.78279	2.2
70.06591	4.4
71.04986	0.4
72.08155	1.0
79.05467	1.6
81.07006	0.7
83.06094	1.1
84.04488	1.0
84.08116	1.2
85.02915	0.6
86.09689	1.1
91.05460	0.6
95.04971	2.4
95.06091	1.5
97.47090	0.4
98.97585	0.7
100.11250	1.1
105.03368	0.7
105.04506	0.6
106.06558	0.9
106.19803	0.4
107.04945	100.0
108.05284	1.4
111.05532	3.1
112.08704	0.7
113.07133	2.0
114.09191	0.9
120.04469	1.5
120.08059	1.0
121.06454	2.2
123.05634	0.4
126.06638	3.1
127.07382	0.9
130.95016	0.4
132.04440	5.7
134.06044	1.6
134.07014	0.4
134.99670	0.5
136.07625	0.6
137.04692	0.7
140.08174	1.5
140.09248	1.0
145.06496	0.4
148.03908	0.7
150.05482	5.4
151.06146	3.6
152.06938	0.5
161.07277	0.4
162.05457	0.6
165.06610	0.6
168.08780	2.2
169.09633	0.8
176.07155	1.1
187.08632	2.7
188.07118	0.8
189.06508	0.6
201.08566	0.6
202.09744	2.6
203.08208	1.2
216.11331	0.9
219.07686	0.4
230.09190	2.4
231.07614	16.1
231.09862	0.8
232.10800	0.9
233.09192	0.7
233.13947	5.3
234.12418	0.8
237.02707	0.5
242.09328	1.1
256.09702	1.5
257.10175	2.4
259.11877	16.6
260.10092	0.8
263.14215	0.4
277.12927	57.6
278.13251	1.2
281.10632	0.5
284.11414	2.7
301.13885	0.6
302.12433	26.7
303.12640	0.7
319.15112	40.1
320.15469	0.8
337.06567	0.5
338.67419	0.5
357.08615	1.0
365.16156	0.6
383.17026	3.1
397.87082	0.4
407.18207	0.8
408.16663	4.1
425.19330	52.0
425.34729	1.3
426.19626	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54329	1.4
55.05497	6.9
57.03443	1.9
57.07067	2.1
60.52041	1.3
61.02905	1.6
65.03898	1.6
67.05505	10.8
69.03429	2.1
69.07053	5.2
70.06593	3.3
70.65834	2.1
70.66207	5.7
74.62753	1.6
79.05492	9.7
81.03412	3.0
81.07057	17.5
83.04977	1.8
83.08580	2.7
85.02903	5.1
87.04393	1.8
87.47132	2.0
91.05475	4.5
93.07050	7.5
95.04926	3.1
95.06078	4.6
95.08614	8.9
97.06505	2.0
97.10167	2.7
101.00849	2.2
105.07034	4.6
107.04948	12.7
107.08581	5.4
109.06541	1.8
109.10146	6.7
119.01900	5.9
119.08565	2.2
121.06503	4.3
121.10148	3.8
125.09651	2.9
127.03896	1.7
133.10127	3.6
135.11685	3.9
143.01874	3.0
143.08476	1.7
145.10100	3.3
157.03503	1.8
157.10149	2.4
161.02948	2.8
163.11215	4.2
165.09105	2.4
185.02940	1.6
187.00880	3.1
187.10844	1.5
189.11197	1.8
201.03667	2.3
203.05363	3.3
205.02090	1.9
227.12782	6.7
229.01910	1.8
243.04738	12.9
245.06310	10.5
287.03711	100.0
289.05301	88.3
302.13904	3.2
381.18729	5.5
425.17746	77.3
425.24832	23.2
426.18149	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	425.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.0
56.05021	1.0
56.96552	1.8
58.06594	2.4
65.03935	1.6
67.05504	2.8
69.03443	1.0
69.07058	1.3
70.06580	2.7
71.05030	0.7
71.59851	1.4
72.04509	1.6
72.08131	1.4
79.05489	2.6
81.03406	2.5
81.07030	2.1
84.08129	1.6
85.02898	1.2
85.06554	1.0
86.06088	0.8
86.09694	1.5
89.06010	1.1
91.05472	9.6
93.07036	1.5
95.04977	1.1
95.06081	1.2
95.08582	0.9
97.02876	0.9
97.06529	1.1
98.06042	1.2
102.03732	1.9
105.07029	1.8
107.04947	26.0
107.08668	0.8
108.08108	1.4
109.10208	1.4
113.06062	1.3
114.20158	0.9
119.04935	21.3
119.08506	1.2
120.08128	1.6
121.02856	2.0
123.04430	0.8
124.07599	1.2
131.06384	1.4
132.04807	2.8
133.06090	1.1
142.08594	1.3
145.10103	1.2
147.04395	100.0
148.04713	1.3
149.06262	1.4
149.07422	9.8
163.03920	1.1
194.25912	1.0
214.12392	0.9
218.08121	14.2
229.09686	1.6
241.09747	1.8
255.11313	1.2
257.33243	1.1
259.10751	6.9
261.12689	7.4
273.11838	1.1
295.11069	9.6
301.11725	8.4
313.11896	5.7
315.04822	1.7
320.16293	1.6
365.14896	1.2
378.15811	2.6
379.16464	5.2
382.22723	1.0
395.16055	2.1
407.16089	23.2
408.16431	2.1
425.17331	7.3
425.26035	1.9
425.31277	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01851	1.4
56.05024	0.8
57.03436	4.5
61.02924	1.0
62.02455	4.6
67.05511	0.7
69.03141	0.5
69.03433	7.0
70.06573	2.1
70.17538	2.6
71.01337	2.5
71.05009	2.7
79.05524	0.6
81.03398	1.7
81.07006	0.6
84.08115	1.6
85.02878	0.8
85.30178	0.6
86.09698	1.1
91.05482	1.1
95.04948	0.5
97.02880	0.7
99.04459	3.2
105.02978	1.2
106.06531	0.6
107.04289	0.8
107.04948	11.2
109.56451	0.6
117.05482	3.0
118.06538	2.1
121.02856	1.4
134.05965	0.6
135.06525	2.2
145.07608	10.0
146.08389	0.8
147.09167	6.7
148.07530	1.1
159.09152	3.5
160.09993	0.6
161.10655	0.9
166.08655	1.4
173.07181	1.2
173.10742	0.9
173.44542	0.6
175.08672	1.0
179.06967	0.6
179.34436	0.6
184.09959	1.1
185.10716	5.5
186.11275	0.7
187.12344	0.8
191.08148	91.7
192.08511	2.3
197.10739	1.3
199.08656	1.7
199.12317	1.7
201.10228	0.9
205.09715	58.0
206.10002	1.2
213.10158	1.4
215.11641	1.0
225.10249	1.6
226.84201	0.6
231.07648	1.2
231.11246	0.6
245.12878	1.0
259.11920	0.8
263.13864	2.4
269.12729	0.6
271.10767	0.8
277.13013	4.3
287.13977	0.8
289.11951	1.0
302.12442	2.3
307.12903	7.5
319.15088	3.1
321.14294	1.0
339.15494	100.0
340.15958	3.3
377.01764	1.1
382.16135	4.4
408.13943	22.8
409.14276	1.8
425.18506	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.4
55.05508	1.3
55.39730	0.4
56.48486	0.4
56.96549	0.8
67.05480	1.3
69.03436	0.6
69.07068	1.6
70.06586	1.8
71.20621	1.0
72.08166	0.5
77.78493	0.5
79.05508	0.7
81.07056	2.0
83.08640	0.7
84.04512	0.8
84.08154	0.9
86.09685	0.7
91.05473	1.2
93.07047	1.4
95.08600	1.5
96.10868	0.4
99.92192	0.5
105.07018	1.4
107.04967	2.3
107.08572	1.2
109.10175	1.8
110.07097	0.4
113.00040	1.7
117.07038	0.4
118.29674	0.4
119.01901	0.8
119.08598	1.2
121.10143	0.6
123.11678	0.5
131.04915	0.5
131.08548	0.9
133.06410	0.5
133.10123	0.7
145.10130	0.9
159.11612	0.5
163.11220	0.6
167.03181	0.9
169.02629	1.3
173.09625	0.6
175.14796	0.6
177.08882	3.4
183.11720	0.6
185.04239	1.1
185.13290	0.6
208.98790	0.4
221.05182	0.4
227.05298	4.1
271.04260	21.3
272.04462	0.7
319.93762	0.4
339.13147	0.8
365.16391	0.5
381.15213	3.7
407.12759	0.6
407.23608	0.4
407.29413	0.7
425.14465	12.6
425.25116	100.0
426.14532	0.6
426.25421	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02401	0.4
53.03927	0.6
59.11654	0.4
79.05492	0.7
95.04935	1.4
107.04947	100.0
108.05270	2.2
129.03113	4.1
139.03607	0.7
157.04713	40.3
158.05031	0.6
176.38504	0.4
185.04202	10.0
203.05269	0.6
309.09433	7.1
319.09961	6.0
363.14087	1.2
425.14139	25.2
426.14569	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	425.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19740	0.3
53.03939	0.7
56.05030	0.3
60.04527	0.3
60.37687	0.3
67.86944	0.3
69.85905	1.7
70.06587	3.0
70.52322	0.3
72.08150	1.0
75.62273	0.3
79.05489	1.0
82.49998	0.3
84.04508	0.9
84.08145	1.7
85.02892	0.6
86.09698	0.6
95.04993	1.7
97.02884	0.4
98.20749	0.5
107.04952	100.0
108.05289	2.3
110.07174	0.6
112.08741	0.4
120.08067	0.4
129.03116	3.9
129.10262	0.8
139.03656	0.9
152.87556	0.3
157.04720	41.0
158.05067	1.0
185.04205	8.4
186.04614	0.3
203.05267	1.0
261.84222	0.4
309.06049	0.6
309.09421	5.4
309.12662	0.6
319.09973	5.5
363.14200	0.9
425.14099	20.9
426.14377	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.4
55.01875	8.5
55.05507	15.9
56.96554	7.3
57.07074	4.6
61.96531	3.7
67.05482	9.3
69.07069	22.6
70.06603	7.1
71.59522	4.2
79.05489	9.4
81.07068	22.0
83.08630	11.3
84.08140	3.8
86.09692	5.7
91.05476	20.6
93.07050	20.7
95.04958	5.2
95.08596	22.9
97.10184	8.4
103.05450	11.6
105.07051	16.8
107.04960	47.3
107.08578	17.3
109.06501	3.9
109.10149	9.5
111.04455	4.3
115.05458	11.9
117.07014	15.0
119.08578	12.4
121.02871	76.6
121.06544	4.4
121.10152	8.9
123.11721	5.7
128.06236	9.8
129.07013	18.6
131.04932	12.7
131.08594	8.4
133.06516	8.0
133.10139	9.2
135.11707	8.8
141.07051	9.6
143.08537	10.2
145.06477	53.2
145.10107	8.9
147.11624	4.7
147.50240	3.6
152.06303	6.4
153.07008	3.8
154.40645	4.1
155.08676	3.7
155.72224	4.3
157.06479	36.2
157.10123	10.7
159.08086	7.1
159.11679	8.5
165.07007	6.7
166.08022	4.7
167.08549	5.2
169.06512	15.2
169.10101	5.4
171.08067	5.6
171.11621	4.9
173.09676	7.8
175.11145	7.6
181.10263	3.6
183.08055	7.1
185.13293	5.6
187.11267	4.3
189.12741	3.7
193.10114	4.3
195.07990	10.0
195.11621	4.5
197.13185	7.3
201.12758	6.1
205.06400	4.2
207.07996	8.4
215.14420	4.5
215.17891	3.6
216.44258	3.6
216.88663	3.7
218.07382	4.8
219.08112	18.7
223.07555	94.4
223.10931	5.4
224.07742	3.8
225.12816	4.1
228.09447	4.4
235.07591	5.9
237.16342	6.1
239.06885	4.9
239.18016	4.2
247.07552	16.4
248.08351	4.3
251.07043	100.0
252.07497	4.5
263.07031	21.6
269.15424	5.6
275.06995	40.1
276.07748	13.1
281.08008	4.9
291.12729	9.2
301.21420	5.2
305.09439	5.2
309.13721	5.0
325.16214	10.0
351.13828	10.8
361.12039	6.4
363.10266	4.7
367.13309	10.0
377.11780	29.2
379.13446	15.3
389.11716	12.4
395.12805	41.9
407.12793	62.5
407.29282	7.5
407.33667	5.3
408.13416	5.0
425.25507	69.2
425.30582	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88393	0.5
56.13985	0.6
56.96560	0.9
58.81570	0.5
69.29418	0.6
70.06588	1.6
71.57143	0.9
76.42842	0.6
77.00886	0.7
81.22574	0.6
82.99868	1.7
84.04484	0.7
84.08138	2.6
97.02882	1.2
98.97588	0.8
101.00868	9.8
105.00368	1.3
109.02883	1.2
113.00896	2.0
115.02422	1.0
119.01919	38.9
120.48504	0.6
124.02501	0.7
127.02427	1.5
128.43639	0.6
131.01909	13.8
132.01942	0.7
133.03459	2.3
137.02936	5.8
138.05496	1.2
139.02435	1.3
143.01895	25.7
145.03462	11.3
147.01410	1.6
149.02954	2.5
155.01889	12.9
157.03461	7.2
161.02959	64.6
162.03064	2.2
163.04527	2.6
167.01874	5.8
169.03493	2.4
171.01349	1.1
171.05067	2.3
173.02971	27.0
174.03104	0.9
175.04517	2.9
177.02383	1.4
179.01843	1.8
179.04004	1.6
184.04565	2.6
185.02954	39.2
186.03122	1.2
187.04494	4.9
189.00725	0.8
189.02466	2.2
191.03979	6.6
197.02985	13.0
199.04478	0.9
203.04019	20.4
207.03525	1.2
209.03001	1.4
215.03966	9.3
221.05032	4.4
227.04001	8.4
233.05042	1.4
235.02867	1.1
245.05078	100.0
246.05301	3.8
257.05084	6.0
263.06131	30.9
264.06436	1.3
275.06119	11.2
286.07666	1.0
293.07150	4.3
305.03845	0.9
305.07166	11.9
314.77792	0.8
317.07214	1.0
335.08243	3.1
365.09244	3.0
383.10150	1.2
425.06351	0.8
425.11310	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46308	2.1
56.96564	91.9
60.04526	4.1
69.92915	5.2
69.93336	8.5
70.06587	15.0
71.95242	2.9
72.08163	14.5
74.97617	2.2
79.44553	2.4
84.04507	3.6
84.08143	12.5
84.96040	21.1
85.02874	3.3
86.09695	3.2
91.23772	2.2
97.02864	2.7
98.96927	4.5
98.97582	88.2
102.97037	4.3
107.04954	19.3
110.07184	5.9
110.97569	14.1
112.99152	2.1
116.98620	100.0
120.08115	11.8
128.98613	37.8
129.10248	5.8
131.00179	8.0
134.99655	82.4
136.07593	6.5
140.00238	3.7
140.98605	3.0
143.00177	12.6
144.98082	3.4
146.99652	50.0
147.04408	2.3
149.01202	11.6
153.00726	10.4
154.49529	2.2
157.04747	6.4
158.01266	3.6
158.99641	14.4
161.01215	57.4
162.99171	7.4
165.00751	11.4
170.99651	11.3
177.00717	28.6
179.02318	16.2
187.02814	4.5
189.00705	13.5
195.01735	4.4
195.03383	6.8
200.02318	2.5
201.00647	16.8
203.00258	2.5
207.01828	3.5
211.02734	6.6
213.00792	5.9
213.04367	17.9
214.92145	2.2
219.01747	51.6
221.01175	5.5
230.27568	2.1
237.02797	99.0
239.02264	50.3
242.03482	4.6
255.03882	8.7
257.00659	3.3
257.03323	62.5
260.04312	4.4
263.02206	5.3
279.03912	3.1
280.05096	4.0
281.03290	10.3
293.03326	6.1
295.04794	2.4
299.04550	3.6
300.15497	2.4
305.03400	3.1
307.04904	4.9
311.04453	3.8
317.03168	15.7
323.04318	3.7
325.05957	6.6
335.04364	3.9
345.06525	2.6
347.04437	4.9
365.05453	22.6
383.06458	40.3
401.07678	11.0
406.07974	3.9
418.49692	2.7
425.07538	55.5
443.08679	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	425.0527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
55.01873	2.5
56.05040	2.9
56.94296	4.6
64.48331	2.0
67.05486	3.2
67.25468	2.3
69.03410	8.8
70.06593	14.8
70.73838	2.4
70.74186	6.7
70.95852	9.0
71.01311	2.7
71.04996	2.5
71.93004	3.1
72.08150	5.1
72.93784	21.8
74.95355	2.6
78.47073	2.2
79.05471	6.7
81.03420	13.6
81.07068	4.1
83.08605	2.3
84.08138	4.2
85.02897	11.1
86.09687	7.0
88.96885	3.6
90.94811	20.0
91.05479	16.3
93.07025	3.2
95.04944	4.4
95.06036	3.4
95.08575	2.5
97.02895	2.9
98.21426	2.5
99.04482	3.3
103.05499	3.6
105.07021	79.9
106.07355	3.1
107.04953	23.8
108.95866	5.0
109.02885	5.7
110.07148	7.5
116.96384	2.6
120.08089	2.4
121.02846	3.4
128.96324	5.3
132.95822	33.6
136.95322	3.9
140.96320	4.8
144.95813	12.1
145.07561	5.4
146.97401	5.7
147.09149	3.0
148.98860	2.4
150.96880	31.8
158.97389	73.6
159.09148	9.1
162.96846	11.9
164.98599	2.5
164.99963	6.9
168.95827	5.8
170.97406	7.4
174.96872	11.1
175.08615	2.6
176.98445	45.9
178.08604	3.1
178.96449	3.7
185.10684	2.6
186.96892	14.2
188.98399	7.1
189.00211	2.0
190.09763	17.4
191.08151	32.6
192.97922	5.4
192.99464	3.2
195.01027	58.1
198.96883	14.3
200.98430	29.6
204.97939	6.8
216.97914	31.9
218.99226	4.0
219.01111	24.4
234.98978	73.3
237.02051	40.9
240.97990	2.5
249.02005	6.3
251.03690	2.8
253.00114	13.2
258.00568	3.8
258.99057	11.1
261.02118	4.8
269.10483	3.9
273.02057	7.4
273.38516	2.5
277.00073	35.0
279.03241	12.6
279.62848	2.7
283.94724	2.2
289.11652	5.1
300.01749	3.4
301.11902	4.4
301.15366	2.4
306.14633	10.7
321.04062	2.8
323.07861	5.2
324.15491	5.0
339.05246	100.0
340.05643	2.5
355.25864	2.8
362.91559	2.3
365.09027	3.8
379.16403	2.8
381.06290	20.5
393.14233	4.0
407.15982	4.3
424.24664	2.5
424.73120	2.2
425.16812	9.0
425.25369	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0479
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	18.3
59.03650	3.8
66.30638	4.7
69.98839	18.1
70.06582	10.5
79.18632	3.8
84.08142	5.0
84.19738	3.9
92.86629	4.2
98.97552	13.6
101.00893	8.1
105.00454	4.1
107.04957	8.4
116.98592	6.2
119.01910	44.3
131.01924	7.3
137.02934	5.1
143.01915	25.0
144.25349	4.1
145.03458	14.2
146.99632	5.6
147.04391	6.3
155.01892	11.3
157.03455	13.7
161.02950	57.2
167.01944	6.0
173.02953	26.5
177.05446	7.9
185.02946	29.8
187.04572	7.9
197.02908	9.1
203.04039	23.6
215.03984	8.9
221.05110	13.1
227.03960	7.9
230.04422	4.4
239.06075	8.5
245.05043	100.0
251.04375	12.8
257.05219	7.0
263.06088	50.4
269.03204	5.9
275.06149	38.7
287.04489	9.1
305.07178	15.3
340.12076	4.5
365.09360	8.5
425.06714	8.2
425.11768	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	424.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90473	1.3
51.55279	1.5
53.03963	2.4
53.18715	1.4
55.01865	2.6
55.05522	7.7
55.05746	1.7
56.05019	2.3
57.03430	1.8
58.99577	4.1
60.04519	1.5
61.01152	1.8
61.02937	2.2
62.01270	1.4
64.64266	1.5
67.05510	8.8
69.03423	6.5
69.07077	2.2
69.59255	3.3
69.59657	9.4
70.02881	1.3
70.06584	5.5
70.32150	1.3
71.01311	2.2
72.04522	2.3
72.08129	2.3
72.83704	1.5
73.02926	2.2
78.03775	2.2
79.05481	6.6
81.03413	31.4
81.07056	12.1
82.06566	1.7
83.04986	10.9
83.08621	9.5
84.04502	2.9
84.08116	1.9
85.02909	5.2
85.06486	1.4
86.06051	2.0
86.09726	2.1
91.05489	8.6
93.07030	9.3
94.06527	1.8
95.04955	11.4
95.08595	4.5
96.04461	2.6
97.02891	6.4
97.06532	4.3
97.10183	3.0
98.06057	2.4
99.04493	1.8
100.02223	7.0
102.01760	1.6
103.03955	4.0
105.07019	8.0
107.04967	4.7
107.08608	2.3
109.06549	2.0
109.21181	1.7
110.53016	1.6
111.08076	5.8
114.05535	3.6
115.03918	2.4
119.08575	7.9
121.10139	4.0
123.08078	1.3
124.03909	1.4
125.02353	11.9
126.05509	1.9
129.06987	3.8
130.44054	1.4
130.90889	1.3
131.08568	5.3
132.04730	1.4
132.06572	3.5
133.04974	4.2
133.10139	4.3
146.02686	6.2
147.03093	3.1
147.11644	5.7
148.02280	1.9
149.07454	4.4
149.09619	5.2
152.01666	1.8
157.10138	5.0
168.13861	2.0
172.98373	2.0
175.11165	7.8
178.07097	31.1
178.12358	1.5
184.13274	2.5
193.12236	22.9
193.13846	2.1
194.15285	1.7
196.08157	100.0
196.13332	4.3
198.14952	1.8
211.13278	53.8
214.08748	1.6
214.14375	1.7
219.08450	2.0
230.17517	3.9
254.99358	1.5
261.09506	3.5
267.72574	1.4
272.18533	2.8
279.10498	1.5
293.11615	5.1
294.11926	8.5
303.10577	1.8
344.17035	3.0
362.18060	6.7
370.18723	3.8
380.19061	9.7
388.19598	4.0
406.20810	39.1
424.12326	6.5
424.21719	5.6
425.07608	1.8
429.53452	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.1
53.85617	1.5
55.01857	5.5
55.05511	9.7
56.05022	4.1
56.96548	4.2
57.03416	5.5
58.06585	1.8
60.04510	4.0
61.02919	3.6
67.05494	8.3
68.05004	2.1
69.03457	8.6
69.07047	5.2
69.97396	5.8
70.06590	15.3
71.01328	2.0
71.04990	4.4
72.04491	1.9
72.08141	14.5
73.02899	2.5
74.00658	4.3
74.06083	2.1
76.03992	2.5
79.05491	12.1
80.05009	3.7
81.03420	27.9
81.07066	16.1
83.04982	8.7
83.08617	10.2
84.04500	15.1
84.08141	9.0
85.02888	8.3
85.03998	2.6
86.06054	3.6
86.09711	11.4
88.03966	3.4
91.05479	8.8
92.01680	3.1
93.07042	7.8
94.06554	1.8
95.04966	9.5
95.08607	4.4
96.04464	2.8
97.02884	15.0
97.06502	3.2
97.10159	2.4
97.48994	1.3
98.06042	4.4
98.09699	2.8
98.97627	3.4
99.04508	2.3
99.05579	20.4
102.03782	1.9
103.03963	3.5
105.07031	8.5
107.04955	21.8
107.08583	4.4
108.04526	1.4
108.05276	3.4
109.10132	2.3
110.07156	2.8
111.08040	3.8
112.03961	1.8
114.05492	3.7
115.03934	3.4
116.98598	4.2
119.08556	5.7
120.08084	2.9
121.10126	4.3
124.07554	3.6
125.02357	14.5
126.05511	3.4
127.03915	1.9
127.05016	2.8
128.98637	1.9
129.07039	2.6
129.10220	4.9
130.05011	12.6
131.06378	1.9
131.08580	5.1
132.06548	3.2
133.04953	3.6
133.10107	5.7
134.99631	4.2
135.05547	1.6
136.07532	4.4
145.02821	2.0
145.06062	31.0
147.04388	2.9
147.07927	1.7
147.11664	5.0
149.07426	5.1
149.09639	5.4
150.07686	1.8
150.12782	2.8
153.06610	5.2
157.10136	4.0
160.05957	1.8
161.04454	2.3
162.02211	2.1
166.12302	5.3
172.98209	11.2
175.11183	4.6
177.00711	1.6
177.03268	4.5
177.05508	2.6
178.05685	2.0
178.07109	27.0
178.12245	4.2
180.06541	2.1
181.06125	1.9
184.13312	7.4
192.10526	1.9
193.12253	22.1
193.80498	1.6
196.08163	100.0
196.13231	11.9
199.07138	4.6
201.12326	1.6
210.14854	2.9
211.13280	43.5
212.13551	2.3
213.04274	2.7
214.14435	4.0
215.06889	2.4
219.01845	2.1
228.15926	1.7
230.17531	5.1
237.02788	5.0
239.02344	3.3
245.00348	6.1
256.09225	1.8
257.03232	2.5
261.02942	1.8
262.03253	1.6
262.14267	2.2
272.18481	4.3
274.10315	3.6
281.03354	3.0
285.12210	1.7
293.11633	2.9
294.12006	10.8
300.23682	2.8
301.11853	2.0
344.16916	6.2
347.94342	1.7
362.18130	14.1
365.05414	2.8
370.18253	1.8
380.19113	47.8
383.06396	4.6
388.19611	4.1
406.20938	34.8
424.21780	28.0
425.18045	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	424.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.5
55.05486	5.0
55.93515	4.0
56.94296	1.8
56.96564	2.1
57.03427	2.3
57.07067	1.8
61.02932	1.5
67.05506	18.4
68.05814	4.0
69.03423	2.2
69.07055	9.3
69.66975	9.5
70.06578	2.4
70.95856	8.0
70.99759	1.4
71.04958	2.1
71.08604	5.2
72.93784	14.4
77.31329	1.3
79.05470	6.1
80.64498	1.3
81.03386	3.8
81.07059	13.7
82.07381	3.2
82.56224	1.4
83.08605	3.4
85.02892	3.2
86.09678	1.8
88.96884	3.1
89.65435	1.4
90.94829	11.7
91.03960	1.8
91.05480	9.3
93.07044	7.0
94.07376	1.6
95.04958	2.4
95.08584	5.2
97.06533	2.4
99.08069	2.5
105.07009	5.6
107.04939	2.7
107.08589	5.4
108.95846	6.0
109.10156	9.0
110.07145	1.9
110.10467	3.0
113.96381	2.9
116.96381	2.0
116.98573	2.0
117.07017	1.3
119.08555	2.8
121.06501	2.8
121.10119	1.8
125.01557	3.4
125.96058	1.4
126.98421	1.7
128.96344	2.6
130.97916	2.5
133.10132	2.1
134.97322	3.0
134.99628	1.3
135.11656	1.3
138.98386	3.8
141.07040	1.4
142.97923	1.7
144.99487	2.1
145.10043	1.5
146.97351	3.5
148.98955	3.8
150.96953	1.7
150.98389	1.7
151.02016	1.8
154.97903	2.0
156.99525	2.4
158.97621	29.8
159.01021	2.1
159.97919	1.3
160.97330	14.5
160.98820	2.1
162.96921	4.2
163.03944	1.6
164.99918	2.8
166.97911	3.8
168.99405	2.2
170.97375	2.0
172.98987	2.7
173.11771	2.1
177.12729	1.6
178.97911	2.8
180.99416	2.5
184.98952	3.5
187.00548	2.3
187.03714	1.5
189.03586	2.5
191.01659	1.5
192.99358	2.1
194.04756	1.8
194.93436	9.7
195.13861	1.5
196.93048	3.3
196.98985	1.9
199.00453	1.9
201.02037	1.7
201.03673	3.3
207.01089	3.2
227.03525	1.6
228.00885	5.0
229.05222	3.4
239.03680	2.1
241.05090	2.0
243.03290	1.5
253.05148	1.7
255.06734	2.6
259.06061	2.6
265.05203	4.5
267.06671	7.0
269.04675	1.6
271.06241	12.4
283.06177	16.8
285.07764	5.9
306.07916	1.9
308.09344	2.2
345.11496	2.4
347.13071	12.5
365.14084	100.0
366.14264	2.5
383.15125	39.6
401.15524	2.7
406.16840	13.7
423.93079	5.5
424.18179	1.9
424.27975	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	424.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
54.21777	0.7
54.43333	0.9
55.01875	1.7
55.05519	6.2
55.72263	0.8
56.05023	1.1
57.03447	5.4
57.76736	0.8
60.04522	1.5
67.05504	10.8
68.05026	1.0
69.03430	1.9
69.07069	4.6
70.06595	12.9
71.00562	0.8
71.04989	1.7
71.33717	1.8
72.08150	4.4
73.02920	1.0
76.02233	1.4
79.05496	14.3
80.05048	1.3
81.03406	1.4
81.07056	10.5
83.04979	2.3
83.06108	1.0
83.08622	5.3
84.04518	3.2
84.08154	7.1
85.02905	1.8
86.00658	1.6
86.06053	0.9
86.09711	8.5
88.03953	1.0
91.05482	4.6
93.07046	21.2
94.00802	0.8
95.04967	5.2
95.06098	3.1
95.08614	23.0
95.42062	0.8
97.02874	2.0
97.06533	2.4
97.10136	1.1
98.06120	1.0
98.98466	1.6
99.04464	2.5
103.05447	1.4
104.10744	1.4
105.07027	3.6
107.04963	8.7
107.08598	18.1
109.10164	2.1
110.07182	7.3
111.04453	1.3
112.08673	1.1
117.07051	4.8
119.08577	5.5
120.08118	5.2
121.06510	4.1
121.10145	8.4
125.06024	1.8
129.10251	4.5
130.04982	0.9
130.07767	1.1
133.10164	2.3
135.08081	1.5
135.11694	33.7
136.11996	0.9
139.07536	1.0
143.08531	1.1
145.06219	0.9
145.10124	20.6
163.11192	45.0
164.11510	1.0
173.09586	1.5
174.10178	0.9
181.12263	8.8
184.07347	2.3
189.03345	1.3
190.03218	0.9
209.11639	1.0
227.12788	81.2
228.13155	2.3
252.15912	3.2
255.08124	1.0
276.89517	0.8
283.15405	100.0
284.15747	3.5
290.13107	1.0
355.25815	1.1
363.11737	1.4
378.23953	1.4
380.24609	2.4
406.16110	1.3
420.86523	0.9
424.18619	1.0
424.24243	5.5
425.17438	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.4
55.01886	3.2
55.05511	6.3
56.05039	3.4
57.03437	5.0
58.06612	3.9
62.06099	10.6
67.05499	12.1
69.03432	1.8
69.07078	6.7
70.06592	32.8
71.04996	2.2
71.58727	1.8
71.59098	2.3
72.08154	7.8
74.50802	1.7
75.17043	1.9
78.71500	1.4
79.05503	14.6
81.03414	3.7
81.07053	17.4
83.04966	2.8
83.06087	4.1
83.08623	7.2
84.04486	8.8
84.08143	16.1
86.09706	25.3
87.93011	2.0
88.03988	3.9
91.05488	6.9
93.07051	18.5
95.04979	5.4
95.06130	2.1
95.08614	22.9
97.02925	2.4
97.06516	4.1
98.98466	6.7
99.04451	3.8
100.07648	1.8
103.05473	3.2
105.07020	8.5
107.04950	15.7
107.08605	14.8
109.06519	2.2
109.10135	2.0
110.07182	11.8
112.08750	2.0
116.06978	2.2
117.07025	8.3
119.08608	6.3
120.08105	12.5
121.06508	3.6
121.10136	10.8
125.06000	3.5
127.03935	2.7
129.10269	6.7
130.06474	2.5
135.11690	35.3
136.07573	3.4
141.10301	2.2
143.08678	2.3
145.10112	18.7
146.06100	2.3
156.07906	2.3
163.11198	52.3
173.09691	2.0
173.12877	2.2
175.40050	1.9
181.12273	12.1
184.07330	4.4
188.07051	2.6
205.09763	3.3
227.12791	100.0
252.15958	3.5
283.15393	96.8
284.15710	3.3
286.18066	2.7
304.19098	3.3
318.18219	3.4
363.12009	50.9
378.23212	2.7
406.16187	3.8
407.34650	2.2
412.21561	2.0
424.17276	6.3
424.24017	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	424.163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.5
53.03936	0.6
55.05511	4.1
57.03418	0.5
57.07071	27.3
60.34705	0.4
65.03939	0.9
67.05499	10.9
68.05826	2.4
69.07061	100.0
70.06554	0.4
70.07392	1.5
70.07838	6.5
71.04990	0.4
71.59953	0.4
75.00025	0.4
79.05475	2.5
80.05827	0.8
81.03409	0.6
81.07047	5.1
82.07371	1.6
83.08603	1.2
85.06548	1.2
91.05460	2.4
92.05807	1.1
93.07032	2.6
94.04183	0.6
94.07386	1.2
95.04971	1.3
95.08620	1.6
96.08921	0.6
97.06507	0.7
98.99995	5.0
103.03130	1.0
105.06999	1.3
107.04929	0.5
107.08586	1.4
108.08922	0.8
109.06508	0.3
109.10144	5.2
110.10490	2.2
111.04425	0.9
111.08071	0.5
111.70958	0.5
113.01566	2.0
115.07558	25.7
119.04892	0.4
119.08606	0.8
121.06502	0.5
121.10107	0.7
123.11702	0.4
125.01469	0.6
126.99459	10.7
127.03105	0.5
129.01024	14.7
131.08640	0.5
133.10104	1.0
135.11717	0.6
136.08685	1.2
136.11990	0.5
138.10225	0.4
139.00609	0.8
141.01003	19.3
143.00761	0.6
148.08696	0.9
149.13220	0.8
150.13583	0.5
154.09732	0.6
155.02562	8.5
159.11696	0.7
161.09579	0.7
162.06619	0.4
169.00397	0.4
173.11723	1.7
174.12056	0.5
174.66695	0.4
176.08221	0.6
178.84326	0.4
180.07634	0.8
182.09254	0.5
184.07341	0.4
195.13718	0.4
196.14194	0.5
197.07268	62.1
198.07613	1.1
199.05299	0.5
199.06915	2.6
225.06749	5.5
225.20445	0.4
240.09740	0.8
296.15994	0.5
360.14688	6.9
362.16248	4.6
378.15781	5.8
406.15305	4.8
424.16296	21.4
424.27576	5.0
425.16595	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.163
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51855	0.8
55.05494	2.9
56.96550	1.0
57.03424	2.2
57.07057	3.0
58.69759	1.0
59.04986	0.8
61.02921	5.1
64.10892	0.7
65.03918	1.0
67.05497	13.2
68.05814	2.6
69.03401	0.9
69.07068	7.2
69.98122	1.9
69.98535	2.6
70.04071	28.0
70.06586	1.7
71.04977	1.8
72.08141	2.9
72.66198	0.9
73.02909	1.3
79.05482	4.3
81.03395	1.0
81.07050	7.5
82.07382	1.8
83.04951	1.1
83.08610	1.3
85.02905	4.4
88.07586	1.3
91.03928	3.0
91.05479	6.4
93.07040	5.2
94.06543	1.3
94.07362	1.0
95.04944	2.7
95.06058	1.6
95.08593	3.1
96.08119	1.3
96.08915	1.1
97.02905	1.5
97.06494	1.1
98.03532	25.7
104.04961	3.1
105.07003	3.1
106.07368	0.7
107.04927	2.1
107.08561	3.4
108.05603	1.8
108.08093	1.5
109.06467	1.2
109.07629	0.9
109.10123	4.4
110.06034	1.6
110.07140	0.8
110.09673	2.2
110.10442	1.7
111.08013	0.8
112.05077	63.3
114.03010	1.3
115.07509	1.5
117.07009	1.6
118.07319	1.2
119.06078	2.0
119.08549	1.1
120.08086	0.8
120.08913	1.0
121.06393	1.1
121.10117	1.7
122.07123	2.5
123.08050	1.1
126.02987	42.8
126.06632	5.7
127.03937	1.1
127.12363	1.0
131.08510	1.8
132.08879	1.1
133.10117	1.6
135.11694	1.2
136.08670	6.0
140.04549	1.9
140.08159	3.2
141.01050	1.1
145.10115	1.1
145.75061	0.9
146.07118	15.8
147.11574	1.1
149.02336	1.5
150.02605	1.0
159.11629	1.2
160.12088	0.8
163.03868	3.8
164.08205	6.1
173.11700	1.7
175.79401	1.0
179.08711	0.9
182.09239	100.0
183.09515	1.1
194.05147	0.8
195.05449	0.9
197.07303	1.4
199.06921	1.1
207.06462	4.5
207.31064	0.9
215.06155	0.9
218.04851	0.9
220.25389	0.9
230.22864	0.8
232.56432	0.9
291.02206	1.0
295.52817	0.8
307.80679	0.8
314.21756	1.6
332.22809	1.6
370.24762	1.0
377.13055	1.2
406.26529	1.9
424.23495	2.5
424.28268	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	423.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16939	1.3
55.05505	12.3
55.91221	1.5
56.96556	2.8
57.03423	1.9
57.07063	5.3
57.83036	1.2
65.23875	1.3
67.05498	11.5
69.07069	12.0
70.06589	4.2
71.08608	2.0
71.59379	2.7
72.08144	1.7
79.05491	11.8
81.07059	25.8
83.08624	7.2
84.04532	2.1
84.08132	4.0
85.06522	1.4
85.10181	1.7
86.09705	2.2
91.05472	12.9
93.07046	25.6
95.04970	4.0
95.08601	25.9
97.10168	4.8
105.07039	14.5
107.04950	11.8
107.08593	29.6
109.06506	2.9
109.10169	15.7
112.38393	1.3
115.05499	1.4
117.07053	4.6
119.04930	3.7
119.08580	10.2
121.06496	10.8
121.10148	20.9
123.08096	2.9
123.11710	13.6
127.03948	1.8
129.07004	3.1
131.08560	6.7
133.06479	5.4
133.10143	5.2
135.08076	5.3
135.11742	10.4
137.09657	1.6
137.13237	17.4
142.07755	2.3
143.08574	5.6
145.06502	3.0
145.10104	13.3
147.08083	4.0
147.11688	5.2
149.09624	1.7
149.13264	6.1
155.08513	3.1
157.06520	3.2
157.10130	6.9
159.08055	23.1
159.11647	9.3
159.19603	1.6
161.09633	4.7
161.13191	1.8
163.11180	1.5
163.14807	3.2
169.10121	3.5
171.08025	2.7
171.11731	5.5
173.09616	13.0
173.11952	1.5
173.13292	6.6
175.11238	4.2
177.16406	4.1
181.10208	2.3
182.10779	1.3
183.08134	2.2
183.11708	4.5
185.09599	3.9
185.13261	6.1
187.11243	5.7
187.14845	3.8
189.12733	2.4
189.60500	1.6
191.17952	14.2
195.11662	3.3
197.09607	1.8
197.13306	4.8
199.11201	4.7
199.14841	3.0
201.12753	27.4
201.16386	2.1
205.10234	2.2
205.19553	3.5
209.13327	3.3
211.14905	3.3
213.12787	3.7
215.14299	9.0
218.10806	1.5
219.13770	1.9
223.14949	2.6
227.14378	6.3
229.15903	2.1
231.11713	1.7
231.13876	3.9
233.15318	8.4
237.16466	2.0
241.15921	4.9
245.15479	5.8
247.17053	3.3
251.14386	1.8
259.17099	4.0
269.18921	2.2
283.17065	3.4
285.18549	7.8
285.89023	1.5
287.19962	9.2
297.18628	1.9
299.10657	1.6
299.20099	4.5
301.21567	4.1
303.21255	2.2
309.22159	1.8
311.19955	1.5
311.23505	1.9
313.21494	7.9
315.23190	3.5
321.22131	2.9
323.68088	1.5
325.21716	3.6
327.23145	3.2
339.23282	9.4
353.24854	12.8
367.26202	3.6
381.27863	3.2
381.85773	1.7
405.14899	1.8
405.31552	12.1
423.23596	100.0
423.32556	68.1
424.23944	11.0
424.33081	2.9
441.10440	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	423.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	32.5
57.07063	14.7
58.10396	3.0
65.08406	3.0
67.05489	11.4
69.07069	35.8
69.68300	6.8
69.68715	10.4
71.08624	9.1
79.05502	5.4
81.07043	24.8
83.08614	50.4
85.10145	4.2
91.05440	7.8
93.07047	15.0
95.04943	3.5
95.08603	18.2
97.06540	3.6
97.10144	5.0
105.07014	9.6
107.08593	12.3
109.06524	5.6
109.10138	9.6
117.06974	3.4
119.08560	8.8
121.10179	4.9
123.08085	10.4
125.75493	2.8
129.28081	2.9
131.08542	5.9
133.10132	5.0
133.15097	3.2
135.11670	4.2
143.08614	6.0
145.10104	9.1
147.11617	3.8
148.71452	2.9
149.09599	3.0
155.08543	6.9
157.10080	8.9
159.11655	7.7
159.36365	3.1
161.13239	3.6
169.10118	10.8
171.11647	7.1
173.09554	3.1
177.12823	3.7
179.14264	6.9
181.10088	5.9
183.11658	9.7
185.13235	6.0
195.11711	5.7
197.13210	7.5
199.14830	6.6
201.87598	2.9
205.15742	3.5
205.98669	3.2
209.13219	5.2
211.14873	7.5
213.12741	3.7
221.13199	5.8
223.14804	3.6
225.12862	3.2
227.10745	3.1
233.13324	4.2
237.16371	7.1
239.14470	3.7
249.16302	7.0
251.14146	3.5
263.17978	3.7
265.15900	14.1
267.17279	4.2
292.54688	3.7
321.21991	3.6
331.26462	7.2
341.32581	3.0
387.30753	3.2
405.31525	100.0
406.31979	7.7
423.32501	64.8
424.32501	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.5
55.05509	45.1
57.06830	1.1
57.07076	15.2
65.16389	0.9
67.05505	9.5
69.06678	1.4
69.07063	42.0
69.89910	5.4
71.08629	9.1
79.05485	6.8
81.07051	16.0
83.08614	100.0
83.29861	0.8
85.10178	1.5
89.06043	1.2
91.05476	13.5
93.07037	38.1
95.04955	5.3
95.08598	10.6
97.06538	1.1
97.10165	11.1
98.20831	1.9
100.29089	1.0
105.07021	11.8
107.04954	2.7
107.08598	10.1
109.06512	2.7
109.10139	15.6
117.06989	1.9
119.08578	9.0
121.06502	3.6
121.10142	3.7
123.08047	2.7
123.11687	4.4
125.05988	7.3
129.07042	1.8
131.08531	3.5
133.06456	1.7
133.10123	14.9
135.08025	6.6
135.11647	1.4
137.13274	3.2
139.07521	2.8
142.07742	1.5
143.08560	2.4
145.10045	4.9
147.08038	2.7
147.11685	4.9
149.09612	4.5
151.07527	8.3
151.11200	3.1
151.14810	1.3
155.08582	2.6
157.10094	3.9
159.08061	2.2
159.11700	2.5
161.09648	2.4
161.13242	1.3
163.11441	1.3
167.08630	1.6
169.10132	2.9
171.08046	1.0
171.11652	2.8
173.09625	3.4
173.13252	2.2
175.07571	1.0
175.11183	8.1
175.14890	1.2
177.09073	7.7
177.12726	1.1
179.14293	3.1
183.11659	1.7
185.13205	3.0
187.11169	1.7
187.14896	1.8
189.12692	1.4
191.10732	2.3
193.12230	66.5
194.12436	1.1
195.10117	1.7
195.11719	2.3
197.13274	2.2
199.11142	2.0
199.14729	1.7
201.12825	2.8
209.13153	1.1
211.14827	2.7
213.12735	3.5
213.16434	1.2
215.14249	1.9
217.12262	1.7
219.13850	3.1
227.14072	1.2
229.15837	2.4
231.13815	1.4
237.16406	1.5
239.14273	2.5
247.17024	1.6
267.17407	4.0
283.16934	1.9
285.18488	19.7
314.67072	1.2
315.23367	1.4
324.08063	1.2
331.26331	5.5
333.24536	1.3
387.30316	1.4
405.31314	6.7
423.32394	40.3
424.32828	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23744	1.0
53.03939	3.9
55.01860	1.6
55.05513	48.0
57.06826	1.3
57.07080	15.5
63.53664	1.2
65.03933	1.4
67.05515	10.7
67.67805	1.2
69.03426	1.3
69.07069	47.0
70.77420	3.0
70.77774	1.3
71.08640	10.0
71.67789	1.0
79.05504	7.3
79.05891	1.2
81.07062	18.7
83.05000	2.3
83.08620	100.0
85.10193	2.8
88.44732	1.1
89.06036	2.5
91.05485	17.1
93.06479	2.0
93.07047	36.8
95.04985	5.7
95.08606	16.7
97.06503	2.3
97.10172	14.1
105.07024	13.6
107.04947	2.7
107.08614	9.8
109.06507	5.3
109.10166	16.8
111.08071	1.5
117.07042	2.9
118.06460	1.2
119.08597	6.6
121.06509	4.7
121.10134	4.8
123.08057	5.4
123.11707	5.8
125.06004	6.4
128.06310	1.3
129.07037	2.1
131.08577	5.0
133.06509	1.6
133.08612	1.6
133.10136	12.8
135.08041	5.6
135.11658	2.3
137.09579	1.1
137.13271	2.9
139.07520	1.9
143.08562	4.6
145.10114	6.6
147.07990	2.3
147.11699	4.2
149.09605	4.9
149.13263	2.1
151.07532	6.1
151.11156	2.8
155.08618	2.8
157.10144	5.0
159.08063	2.8
159.11694	4.6
161.09642	2.3
161.13274	1.4
169.10107	1.5
170.25211	1.2
171.11668	3.8
173.09631	4.5
173.13336	3.3
175.11182	10.2
175.14799	2.0
177.07796	1.1
177.09062	6.5
177.16324	1.3
179.14336	4.2
181.10083	2.1
183.11728	3.5
185.13275	4.0
187.11226	3.7
187.14796	1.8
187.55421	1.2
189.12715	1.9
191.10754	2.2
193.12247	62.4
194.12604	1.7
195.10146	3.1
197.13255	1.6
199.11179	2.4
199.14830	1.5
201.12668	1.7
201.78743	1.2
203.14355	2.3
211.14787	2.8
213.12691	2.3
215.14368	1.6
219.13795	3.1
223.14781	1.2
225.12785	1.2
227.14256	1.9
229.15865	3.7
231.13852	3.1
237.16342	1.3
239.14679	2.7
239.17651	1.1
244.58101	1.2
247.16826	2.6
251.18019	1.5
267.17459	4.6
283.16965	3.0
285.11456	1.4
285.18463	15.9
297.22098	1.8
313.25217	1.8
315.26712	1.4
331.26358	8.3
405.31528	7.9
406.31763	1.3
411.13788	1.2
423.32336	44.8
424.32883	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06836	3.0
53.03949	2.9
55.05518	21.8
56.96563	6.1
57.07077	8.7
59.05003	5.1
59.26654	2.4
59.29156	2.5
65.03940	2.9
67.05515	22.8
69.03432	3.7
69.07078	29.1
71.08647	6.4
71.59467	4.1
79.05495	13.9
81.07053	37.6
82.39358	2.6
83.08625	15.1
84.08147	4.2
85.10173	3.9
91.05478	19.4
93.07056	34.7
95.04983	4.8
95.08611	45.6
97.10212	8.9
105.07039	23.4
107.04974	3.0
107.08599	37.9
107.09276	3.1
109.06527	4.0
109.10152	22.3
117.07056	4.8
119.04970	3.7
119.08620	12.1
121.06514	15.3
121.10138	33.5
123.08116	5.9
123.11714	15.6
129.06958	6.9
131.08554	14.6
133.06520	4.5
133.10126	12.9
135.08102	8.3
135.11723	15.8
136.49622	2.5
137.09637	3.2
137.13257	20.5
141.07039	3.1
143.08549	14.8
145.06592	4.0
145.10158	16.5
147.08127	4.6
147.11720	5.0
149.13318	6.4
153.06905	3.2
155.08617	7.7
157.10158	15.5
159.08047	28.6
159.11775	10.8
161.09651	6.4
161.13319	3.1
165.07123	2.7
167.08676	4.5
169.10143	7.9
171.08116	5.3
171.11760	11.0
173.09674	14.3
173.11932	3.5
173.13301	9.0
175.11174	5.1
177.16444	7.4
179.08635	2.9
179.14342	3.7
180.09561	3.3
181.10191	5.2
183.11752	9.0
185.09656	4.6
185.13310	9.4
187.11281	7.7
187.15012	2.8
189.12738	3.8
191.17970	18.2
195.11786	4.5
197.13271	7.7
199.11298	9.2
199.14897	5.9
201.12749	29.1
205.19611	4.6
207.11766	4.4
209.13306	5.3
211.14917	4.6
213.12830	4.8
213.16289	4.2
215.14255	14.1
219.13916	3.2
221.13419	4.5
223.14909	5.2
225.12898	4.1
225.16350	2.8
227.14467	9.0
229.15984	4.6
233.13393	3.6
233.15498	9.9
241.15916	5.6
245.15482	7.8
249.16508	3.0
251.18033	5.1
253.15843	4.3
259.17056	5.1
267.17511	4.9
269.19189	5.9
275.41028	2.5
283.17157	8.0
285.18625	10.7
287.20209	7.7
297.22076	4.3
299.20132	5.4
301.21799	4.8
309.13895	3.7
311.20221	4.3
311.23801	4.5
313.21762	10.3
325.21826	4.5
339.23038	17.6
353.24585	14.9
381.27875	5.2
405.31561	22.8
423.22940	5.0
423.32755	100.0
424.33121	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	423.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.0
55.05308	2.3
55.05516	27.8
56.96532	2.9
57.07064	5.7
66.09201	2.6
67.05508	33.6
69.07071	30.6
69.47226	2.6
70.06582	6.1
71.08628	7.9
79.05088	3.5
79.05489	22.5
79.20871	2.3
81.06583	5.9
81.07058	93.7
83.08629	28.6
85.10150	5.5
90.61305	3.2
91.05472	25.1
93.07047	52.2
95.04976	4.8
95.08614	58.6
97.06525	5.1
97.10168	9.9
105.07025	32.9
107.08600	35.7
109.06509	8.8
109.10162	38.2
111.08121	7.4
117.07024	10.9
119.04954	7.3
119.08586	38.8
121.06503	10.1
121.10123	20.0
123.07267	3.2
123.08081	12.8
123.11690	21.1
127.33454	3.0
128.06197	5.1
129.07007	8.4
131.08562	31.4
133.10144	23.7
134.99635	2.8
135.08069	5.5
135.11655	13.7
137.09654	2.9
137.13237	10.9
142.07779	6.8
142.85251	2.8
143.08557	18.1
145.06418	3.0
145.10123	29.7
147.07999	4.5
147.11708	9.0
147.57803	2.7
149.02373	13.2
149.13274	8.5
150.02699	5.2
155.08481	6.7
156.09293	5.0
156.68729	3.1
157.10139	35.0
159.07979	3.0
159.11726	20.8
161.13240	9.1
163.14818	9.5
165.16371	5.4
168.09277	2.4
169.10143	13.3
171.11630	14.7
173.13260	18.7
175.14870	10.9
177.16377	12.0
179.14362	5.4
179.17952	3.6
181.10159	6.4
183.11674	10.0
185.09557	3.9
185.13243	10.4
187.14841	4.0
191.14323	15.2
193.05040	7.2
193.10159	2.8
193.15941	8.4
194.05376	6.8
195.11665	5.4
197.13313	9.3
199.14835	33.3
201.16380	10.0
205.15871	28.4
207.11771	3.7
209.13275	7.9
211.14816	9.3
213.16373	22.1
215.14542	2.9
215.17924	18.5
217.15858	12.6
219.17407	7.4
223.14818	6.6
225.16408	5.0
227.14194	4.0
229.15843	4.4
231.17471	10.7
241.15877	3.5
243.13776	9.2
243.17390	5.0
245.15428	5.8
256.26492	2.9
257.15323	4.0
257.26474	3.5
259.16925	4.4
267.17407	2.9
283.17001	4.4
285.18576	5.3
321.22238	3.0
331.26559	3.9
336.22501	3.2
339.23242	4.8
363.18454	3.6
387.30493	5.6
405.31595	25.3
423.32901	100.0
424.32724	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	423.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.0
55.05513	13.6
55.36023	1.8
55.52825	1.6
57.07069	6.6
67.05502	25.1
69.07060	16.3
70.84967	5.0
71.08620	1.8
79.05485	17.3
81.07054	55.5
83.08618	9.3
91.05470	11.6
93.07037	24.8
95.04981	2.6
95.08606	100.0
97.06522	3.1
97.10143	9.7
105.07043	13.0
105.76650	1.9
107.04967	2.9
107.08599	31.5
109.06513	3.0
109.10163	16.1
117.07013	3.4
119.04932	2.3
119.08563	9.9
121.06496	16.2
121.10138	20.9
123.08098	1.9
123.11725	5.7
129.07008	3.4
131.08571	7.8
133.06516	3.4
133.10141	6.1
135.08052	21.9
135.11671	10.3
137.13255	47.4
137.14253	3.7
141.07077	2.3
143.08578	3.0
145.10129	6.9
147.08076	6.8
147.11699	15.8
148.48976	2.0
149.13263	4.3
157.10135	5.5
159.08051	30.6
159.11722	5.9
161.09634	3.7
171.11731	6.6
173.09679	9.7
173.13249	6.1
175.11191	51.8
175.14723	2.6
177.16403	18.8
183.11719	6.0
185.13290	5.9
187.11278	2.7
187.14810	1.8
189.16283	2.3
191.17934	10.7
197.13356	2.6
199.14850	3.7
201.12755	33.6
205.19475	3.6
209.13173	4.2
211.14842	2.6
213.12712	2.6
215.14345	12.7
219.13794	6.4
227.14343	6.9
229.15906	7.3
231.13788	3.9
233.15332	11.1
241.16019	3.6
245.15363	9.4
247.16975	16.2
249.16431	2.4
251.18152	2.4
259.17059	4.4
269.19064	2.7
273.18665	2.5
283.17017	3.1
283.45825	2.1
285.18625	5.5
287.20056	97.8
288.20276	4.2
301.21497	2.8
313.21558	3.3
325.21588	3.0
327.23230	3.5
339.23166	11.6
353.24924	4.2
367.26465	3.3
387.30203	3.8
405.31537	16.1
423.24210	9.9
423.32614	69.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55056	2.9
55.05502	5.7
57.03429	3.3
57.07059	6.5
67.05495	11.8
69.07066	5.5
69.28295	33.3
71.08625	6.5
79.05492	5.7
81.07050	12.7
83.08604	4.8
91.05469	3.6
93.07040	5.6
95.08598	13.7
105.07015	6.9
107.08600	9.6
109.06522	22.0
109.10138	5.0
119.08525	6.8
120.88689	3.2
121.10130	5.8
123.08054	30.5
133.10075	5.9
135.08095	7.0
135.11794	3.9
151.14792	3.3
152.42325	3.1
159.11774	3.3
179.14305	95.8
197.74652	3.4
303.27063	3.3
331.26309	41.7
349.27426	5.7
423.31070	100.0
424.31439	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	423.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67649	1.8
51.16410	1.8
55.05514	10.5
56.69108	1.8
57.03424	3.9
57.07074	6.0
66.95742	2.2
67.05505	13.1
69.07064	14.0
71.08630	4.9
79.05481	7.2
81.07059	19.8
83.08598	7.1
83.10799	1.8
91.05469	5.5
93.07048	11.1
93.10321	2.1
95.04972	1.9
95.08591	16.5
97.06566	2.2
99.08103	4.1
105.07030	6.3
107.08613	9.6
109.06514	19.9
109.10143	8.3
109.65007	1.9
111.08122	2.3
119.08585	9.0
121.10136	7.5
123.08073	54.0
123.11716	3.7
131.08565	3.1
133.10139	7.7
135.08064	10.8
135.11661	4.0
136.08467	2.3
137.09602	2.5
137.13235	2.0
145.10127	5.0
147.11690	3.4
149.13252	3.7
159.11722	5.8
161.13295	3.1
177.12666	2.1
179.12726	3.7
179.14308	68.1
193.15955	2.0
249.50031	2.0
275.19785	2.8
297.29330	2.2
303.26688	3.1
331.26324	44.3
342.78522	2.4
349.27313	11.4
367.25079	2.3
405.30145	2.8
421.29105	2.3
423.31097	100.0
424.31473	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	423.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33345	7.5
67.05489	12.2
67.60107	6.9
69.47285	64.7
69.62801	7.4
83.65705	6.6
95.08582	11.6
98.20799	14.7
98.29541	8.8
106.29092	8.6
110.65926	7.0
113.12259	7.8
123.08026	19.1
159.11719	7.1
178.77397	8.3
179.14331	41.3
204.58746	8.2
207.16042	6.7
210.02673	6.8
225.56042	6.9
227.98201	8.0
245.21843	7.8
283.49088	8.9
331.26291	22.0
423.31067	100.0
423.36499	7.9
443.73691	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	423.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81058	1.5
55.05519	15.3
57.03428	4.2
57.07070	2.9
61.60865	1.3
65.03905	1.7
67.05509	12.5
69.07073	17.6
70.30770	2.6
70.31158	3.9
71.04992	1.7
71.08623	3.4
71.22440	1.6
79.05486	7.9
81.07058	23.2
83.04988	1.9
83.08623	16.7
85.06515	1.6
91.05490	9.4
92.43118	1.5
93.07053	13.6
95.04931	1.9
95.08610	18.8
97.06521	2.9
97.10139	4.6
99.08080	1.8
105.07027	10.1
107.08617	10.4
109.06547	12.0
109.10152	9.1
111.08086	2.6
113.00015	1.7
115.22695	1.4
116.04663	1.3
117.07009	1.8
119.08589	8.4
121.06506	2.6
121.10129	6.1
123.08070	59.6
123.11715	3.6
124.08362	2.0
131.08591	4.0
133.10153	7.5
135.08057	12.3
135.11665	3.2
136.46324	1.5
137.09601	3.9
137.13321	3.0
143.08522	2.9
145.10109	5.9
147.11626	3.9
149.09688	2.5
149.13240	3.7
159.11665	4.3
161.09546	2.2
161.13187	2.1
163.11182	1.8
165.12694	2.1
167.14302	1.9
169.10103	2.1
171.11757	2.4
173.13208	2.0
175.14749	1.8
177.12749	4.1
177.85188	1.4
179.14326	22.2
201.16373	2.1
209.13219	1.5
237.16402	1.7
263.20004	3.1
275.20004	5.2
283.09717	1.6
283.17044	2.0
285.18338	2.1
293.21271	3.2
297.18787	1.7
303.26834	7.4
331.26318	42.5
332.26642	3.0
339.23145	1.5
349.27426	10.0
367.24939	2.4
405.30499	3.3
423.31119	100.0
424.31241	8.3
447.87280	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76068	2.8
55.05517	24.4
56.15690	2.6
57.07067	8.1
65.47649	2.7
67.05510	17.2
69.07062	29.8
70.46644	3.1
71.08624	4.3
71.58932	3.1
71.59285	3.1
79.05494	16.2
81.03428	3.3
81.07056	31.4
83.08617	30.2
85.06506	2.5
91.05459	11.9
93.07051	22.1
95.08610	35.7
96.86094	2.9
97.06503	4.1
97.10167	4.8
99.48401	3.4
105.07034	21.8
107.08604	28.0
109.06497	12.7
109.10117	8.5
111.08044	3.8
117.06998	4.4
119.08610	15.9
121.10159	17.4
123.08073	51.6
123.11699	7.4
130.05688	2.5
131.08519	11.5
133.10175	13.4
135.08015	10.5
135.11668	7.1
137.13258	3.3
143.08556	8.4
145.10109	7.7
147.07950	2.9
147.11681	8.1
149.09535	4.1
151.14871	2.9
157.10100	7.5
159.08038	3.4
159.11652	9.1
171.11646	7.1
173.13251	3.7
175.14856	4.0
177.12689	6.7
177.16479	2.9
179.14310	18.0
181.10168	3.8
183.11766	4.4
185.13268	4.2
187.14792	3.1
197.13268	3.3
237.06152	3.4
267.17456	4.6
275.20078	7.7
285.18622	4.1
303.26718	6.5
313.34848	3.2
331.26343	44.7
339.23111	4.2
374.79187	2.9
405.31143	9.3
423.31259	100.0
423.36356	8.7
424.31674	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16520	0.8
50.59657	0.9
51.91241	0.9
53.03940	1.9
55.05519	9.8
56.15472	1.0
57.03425	3.0
57.07060	2.3
67.05502	15.2
69.03426	4.8
69.07069	11.6
70.83784	2.4
71.04993	2.9
71.08634	2.2
79.05495	9.3
81.03426	2.9
81.07063	18.6
83.04983	1.7
83.08626	4.4
85.02911	2.4
91.05472	6.5
93.07043	12.6
95.04935	1.3
95.08614	15.0
97.02892	24.0
97.06522	2.4
97.10181	1.9
99.04480	1.7
99.08092	2.4
105.07036	7.8
107.08600	11.0
109.06510	13.1
109.10151	6.8
111.08088	1.6
116.66682	1.0
117.07087	2.4
119.08584	7.7
121.10152	6.2
123.08071	53.5
123.11701	2.6
127.03941	1.5
129.07028	1.2
131.08594	4.1
133.10118	5.2
135.08069	11.2
135.11708	2.8
137.09607	3.9
137.13177	1.4
143.08562	1.1
145.10162	4.6
147.11697	4.1
149.09615	4.5
149.13290	2.4
157.10185	1.6
159.11717	3.2
161.09656	1.1
171.11684	1.4
173.13229	1.4
177.12682	5.0
177.82460	1.0
179.14313	22.5
191.14349	1.1
191.77487	1.1
203.71765	1.1
233.18979	1.1
245.56978	1.1
247.20540	1.3
261.22443	1.2
263.20056	1.5
273.28546	1.1
275.20013	7.1
289.25269	1.3
303.26871	6.0
331.22369	2.3
331.26318	43.3
332.26791	2.3
334.91464	1.1
349.27530	2.6
367.24704	2.2
387.24997	1.1
423.31088	100.0
424.31415	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	423.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.2
55.01861	4.8
55.05507	10.6
57.02855	1.2
57.03431	3.7
57.07072	3.4
61.02898	1.4
65.03937	1.5
67.05505	22.8
69.03426	8.6
69.07063	13.3
71.04987	4.0
71.08636	2.1
73.02920	3.0
73.06142	1.3
79.05495	17.2
81.03420	8.5
81.07054	29.6
83.04986	2.6
83.08613	6.4
85.02879	2.2
85.06546	3.3
90.75863	1.2
91.05481	12.2
93.07042	20.3
95.05002	2.1
95.08608	24.4
97.02894	13.1
97.10175	2.6
99.04462	12.4
99.08103	2.4
105.07037	12.3
106.24419	1.4
107.08596	14.2
109.02882	4.9
109.06522	14.3
109.10149	10.0
111.54142	1.4
117.07053	3.9
119.08570	7.4
121.10150	13.5
123.08073	54.0
123.11704	4.9
124.08453	1.9
127.03904	12.1
127.56979	1.3
131.08591	3.7
131.63347	1.5
133.10135	8.9
133.40388	1.4
135.08055	10.3
135.11693	7.0
137.09607	4.1
137.13187	3.3
145.10127	6.9
147.11703	4.8
149.09663	3.7
149.13281	4.5
151.11177	1.4
159.11732	5.1
161.09596	1.2
161.13271	2.0
173.13298	3.3
175.14870	2.5
177.12770	3.3
179.14314	40.2
191.14357	2.1
198.19679	1.7
205.15929	2.1
219.17328	1.7
247.20570	1.8
261.22220	3.6
275.20102	3.7
293.21277	2.2
303.26871	6.2
307.22980	1.4
331.26309	39.5
332.26825	2.3
349.27231	11.5
367.24649	2.3
423.31082	100.0
424.31305	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	423.274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79747	5.5
53.03944	14.1
55.01862	11.7
55.05509	42.4
57.03415	12.1
57.07051	13.6
67.05508	100.0
69.03412	26.6
69.07066	31.4
69.84309	31.0
71.04964	7.0
71.08617	10.2
79.05498	72.9
81.03422	30.2
81.07063	85.6
83.04994	11.3
83.08629	21.0
84.57478	5.4
85.02928	13.6
85.06512	6.8
89.06038	17.5
91.05484	62.0
93.07048	80.9
95.04973	17.0
95.08601	78.8
97.02892	68.2
97.06538	12.2
97.10155	10.5
99.04453	38.4
99.05009	7.0
105.07030	57.3
107.04961	7.4
107.08591	48.8
109.02896	11.9
109.06531	10.0
109.10157	33.5
117.07024	24.6
119.08558	31.0
121.10146	39.1
123.08065	14.5
123.11658	10.5
127.03912	21.4
129.06976	13.7
131.08563	39.9
133.06496	8.4
133.10109	30.6
135.07985	7.5
135.11728	33.2
143.08533	7.8
145.04971	7.4
145.06573	7.6
145.10104	16.3
147.11707	27.9
149.13211	15.6
157.10086	7.2
159.08109	7.8
159.11644	20.2
161.13264	11.9
163.11157	7.0
163.14760	9.0
167.08809	6.2
171.58090	5.8
173.13255	18.7
179.14371	12.1
183.11806	6.4
187.11256	6.8
207.11804	7.7
225.16579	5.8
259.20609	9.5
261.22177	22.6
301.21948	7.5
303.23224	14.1
331.26422	9.2
387.25266	15.9
405.26239	15.0
423.26859	9.5
423.32086	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	423.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48622	1.6
53.03933	2.7
55.01849	1.9
55.05513	20.8
57.03434	3.2
57.07062	7.5
59.04992	4.0
67.05499	100.0
69.03424	5.9
69.07060	18.9
69.96875	7.5
70.04078	3.9
71.04981	6.1
73.02891	2.0
79.05489	30.1
81.03413	6.8
81.07049	56.5
83.04961	4.6
83.08611	14.3
85.02882	2.1
85.06520	4.0
91.05476	24.0
93.07035	37.3
95.04956	8.3
95.08591	22.1
97.02883	4.8
97.06522	7.3
97.10196	2.7
98.21469	3.3
99.08080	2.7
100.85454	1.6
104.43040	1.6
105.07024	13.4
107.08589	23.9
109.02878	2.2
109.06529	5.8
109.10139	52.7
111.08083	5.6
111.66537	1.6
113.06010	1.6
116.78579	1.6
117.07028	6.7
119.08570	13.7
121.06480	2.7
121.10134	14.3
123.08068	10.5
123.11697	3.5
127.03995	1.9
129.07013	2.8
131.08566	9.4
133.10141	7.9
135.08070	3.7
135.11694	7.5
137.09618	4.8
143.08556	2.8
145.10120	6.3
147.11699	5.3
149.13264	16.3
157.10130	3.2
159.11682	10.4
163.11159	1.6
169.10155	2.1
172.95255	1.8
173.11726	17.3
173.13133	2.7
177.12787	4.4
179.14258	12.1
183.11655	2.6
187.14903	2.0
190.72786	1.6
195.13850	5.6
233.05782	1.8
259.20609	1.9
261.22067	3.5
303.23203	2.5
331.26324	5.6
369.23981	2.9
387.25424	4.7
423.26706	32.2
423.31238	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	423.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34427	2.2
53.03937	7.5
55.01869	7.0
55.05507	30.0
56.96564	3.9
57.03422	7.1
57.07076	19.9
59.99918	2.5
65.03929	4.6
67.05503	100.0
69.03429	19.7
69.07061	40.6
69.46317	11.6
69.46745	9.0
70.04075	3.3
70.07401	4.6
71.04995	7.8
71.50662	2.5
73.02907	6.1
79.05489	54.1
79.73786	2.3
81.03416	29.1
81.03857	3.7
81.07053	84.9
83.04970	10.2
83.08614	16.2
85.02891	11.1
85.06516	7.4
91.04901	2.5
91.05476	48.9
93.07039	71.4
95.04969	15.9
95.08604	53.3
97.02871	8.7
97.06535	8.2
97.10159	6.0
99.04472	3.2
99.08083	4.4
103.03944	2.9
105.07021	34.8
107.04955	5.6
107.08588	37.2
109.02862	4.7
109.06546	13.4
109.10153	45.5
111.04438	5.8
111.08091	7.3
115.05428	2.5
116.98602	3.3
117.06998	21.1
119.08574	32.4
121.06500	5.4
121.10137	30.2
123.04456	3.0
123.08047	11.1
123.11729	7.7
127.03886	5.2
128.06223	3.6
129.05510	3.4
129.07004	9.1
131.08542	27.1
133.10133	28.0
135.08081	7.9
135.11690	20.1
137.09627	4.9
139.11177	3.8
141.07004	2.8
143.08560	10.6
144.09277	2.4
145.04825	3.4
145.06416	3.1
145.10143	24.0
147.08031	3.5
147.11662	23.6
149.09601	4.6
149.13269	19.4
155.08536	3.8
157.10133	8.1
159.11705	18.7
161.09627	2.9
161.13228	12.5
163.14711	4.3
169.10121	3.9
171.11700	8.9
171.55273	2.5
173.11719	6.7
173.13263	11.6
175.11177	4.4
175.14871	4.4
177.12671	2.9
179.14313	10.4
185.09604	4.5
185.13293	6.6
187.11282	3.0
187.14838	7.1
189.12758	3.9
195.11690	3.6
195.13683	2.5
197.07362	3.4
197.13283	5.0
198.07541	2.8
199.14886	4.4
201.34865	2.6
213.04102	2.9
221.15430	3.3
243.21169	2.7
247.20711	3.0
259.20673	5.0
261.22220	16.8
266.97928	3.0
267.98257	5.0
273.22214	4.3
275.20160	3.5
277.13608	3.8
277.21716	3.0
289.21506	4.6
291.23090	4.0
301.21524	3.3
303.23282	10.9
313.21634	3.4
319.22629	3.3
327.23169	3.1
331.22668	5.3
331.26443	6.9
336.08844	2.7
351.23108	3.9
369.24301	13.0
387.25055	11.8
405.26422	17.3
423.26624	22.4
423.31680	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	423.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
54.64185	0.7
55.01878	1.1
55.05507	15.0
55.54225	0.7
56.96561	0.7
57.03435	4.3
57.07067	2.9
59.04997	3.4
60.22905	0.7
65.03944	2.4
67.05498	100.0
69.03431	1.5
69.07061	14.8
71.04994	6.5
79.05050	1.5
79.05488	20.1
81.03404	1.8
81.07049	46.0
82.07403	1.0
83.04963	3.0
83.08617	11.4
83.42751	0.7
85.02885	1.1
85.06548	4.4
86.09718	0.7
88.18793	1.1
91.03948	0.9
91.04530	0.7
91.05476	16.1
93.07033	25.9
93.07622	1.3
95.04962	4.2
95.08601	14.6
97.02859	0.9
97.06519	5.8
97.10177	1.0
98.28366	0.8
99.08081	1.7
105.07040	5.7
107.04941	1.5
107.08586	16.0
109.06495	3.3
109.10145	59.0
111.08043	4.5
117.07016	4.2
119.08554	6.8
121.06479	0.9
121.10140	7.0
123.08076	3.7
123.11715	1.3
125.09626	1.2
131.08551	4.2
133.10101	6.3
135.08029	2.1
135.11658	3.1
137.09630	2.7
143.08531	1.0
145.10072	1.1
147.11665	0.9
149.13243	13.5
151.11166	0.9
155.10629	3.1
157.10153	1.1
159.08070	1.2
159.11662	7.1
173.11725	16.8
177.12657	2.9
179.13216	0.7
179.14319	7.0
184.07304	0.9
195.13762	7.5
250.02486	0.7
267.71542	0.8
331.13065	0.9
331.26196	4.2
339.64981	0.8
383.95572	0.8
395.14383	0.9
423.26950	34.1
424.27142	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.6
55.05260	1.2
55.05507	15.5
57.03421	3.3
57.06823	0.8
57.07076	11.2
57.48673	0.9
59.04992	3.9
61.44190	0.8
65.03922	3.1
66.79351	0.7
67.05502	100.0
68.05807	0.9
69.03401	1.3
69.07066	46.3
69.40385	2.9
69.40812	4.3
70.07407	1.7
70.07826	2.6
71.04996	4.2
78.92321	0.8
79.05486	18.9
81.03407	1.8
81.07056	49.1
82.07368	1.1
83.04963	2.8
83.08611	11.1
84.78611	0.8
85.06535	4.2
91.04964	1.2
91.05478	18.4
93.07038	26.8
95.04973	3.7
95.08050	1.0
95.08600	13.0
97.06515	3.9
97.50656	0.9
98.99997	2.1
99.04467	0.9
99.08087	0.9
105.07034	3.9
107.04953	2.0
107.08591	16.5
109.06494	1.2
109.10152	57.2
111.08072	4.4
112.76954	0.8
114.02979	1.0
115.07567	10.9
116.07899	1.3
117.07006	4.5
119.08575	5.5
121.10138	6.8
123.11680	0.9
126.99458	2.5
128.99110	1.1
129.01030	4.9
131.00740	1.0
131.08559	3.1
133.10117	8.2
135.08047	1.1
135.11679	5.0
137.09576	3.2
138.10287	0.8
141.01021	5.8
142.01384	0.8
143.00708	1.0
143.08505	1.2
149.13248	12.3
151.11119	1.0
152.08162	1.5
155.02579	2.0
155.10664	3.6
159.11691	6.6
165.86118	0.9
171.24374	0.9
173.10246	1.0
173.11731	18.7
177.12732	3.1
180.07639	2.2
186.42624	0.8
195.13814	8.7
197.07281	15.8
198.07631	4.7
199.06981	4.0
213.14886	1.7
225.06743	1.3
228.87898	1.0
231.17545	0.8
259.49619	0.9
269.17734	0.8
331.26477	1.2
362.16470	1.2
378.15887	7.8
395.14078	1.3
423.18875	7.5
423.27365	48.6
424.27536	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	10.3
55.01870	5.3
55.05512	44.5
57.03429	13.6
57.07066	12.7
65.03926	6.2
67.05177	6.6
67.05505	95.1
69.03433	44.9
69.07063	46.8
71.04993	6.2
71.08624	8.1
71.58807	4.1
71.59180	7.3
79.05495	69.4
81.02979	5.8
81.03416	60.3
81.06590	7.3
81.07059	100.0
83.04990	7.0
83.08620	34.4
85.02909	27.9
85.77387	3.7
91.05476	54.4
93.07045	99.6
94.40140	4.2
95.04970	15.6
95.08604	89.4
97.02896	15.3
97.06501	7.7
97.10162	12.9
99.04469	12.7
105.07014	56.3
107.04976	4.8
107.08594	57.5
109.02834	10.4
109.06502	16.1
109.10158	43.3
111.04420	5.6
111.08092	6.0
115.05458	4.1
117.07021	22.7
119.08575	44.2
121.06532	9.4
121.10149	41.3
123.08090	17.9
123.11719	20.5
125.09656	4.5
127.03918	8.7
128.06207	4.5
129.05505	5.0
129.06998	11.8
131.08572	38.4
133.06479	7.2
133.10121	27.9
135.08028	11.7
135.11684	29.0
137.09628	5.7
137.13249	10.0
142.07736	6.0
143.08546	12.5
145.06468	6.7
145.10114	31.3
147.08041	8.7
147.11697	24.8
149.09608	4.0
149.13260	20.7
151.87500	4.1
155.08612	7.7
157.10124	19.6
159.11737	23.3
161.09630	7.4
161.13275	13.4
163.11200	3.6
163.14803	8.9
169.10088	6.5
171.08070	5.7
171.11713	9.5
173.13255	15.0
174.38560	4.0
175.11194	9.3
175.14818	8.1
177.12823	4.8
179.14311	13.9
181.10233	4.9
183.11655	8.5
185.13216	9.4
187.14871	10.5
191.14320	5.7
195.11674	5.4
197.13179	5.6
198.13823	4.1
199.14763	9.5
201.12766	8.7
201.16357	5.0
209.13258	9.0
211.14874	6.3
213.12735	7.3
223.14992	5.3
225.12720	4.2
225.16264	5.6
227.14174	6.0
237.16415	5.7
254.72575	4.5
259.16968	14.3
259.20584	9.4
261.22141	30.2
265.15942	5.8
267.17297	6.0
277.21875	7.0
283.20676	6.1
285.18631	5.9
303.23175	7.4
311.19916	4.2
311.23502	4.3
321.22125	5.9
323.23538	4.3
331.26227	9.5
339.23187	5.7
341.24579	4.5
351.22778	4.3
369.24194	13.1
387.25211	10.3
405.26321	15.9
405.31503	13.2
405.87827	4.5
423.27469	10.7
423.32553	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	423.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53960	0.6
52.39703	0.7
52.65113	0.7
53.03942	2.1
55.01864	1.1
55.05508	13.1
56.96546	1.1
57.03432	2.9
57.07066	3.8
59.04990	4.3
61.02907	1.2
65.03939	3.3
67.05499	100.0
68.05830	0.7
69.03426	2.4
69.07066	13.0
70.07399	1.2
71.04659	1.1
71.04967	4.7
73.02908	1.1
79.05489	23.0
81.03419	3.0
81.07052	48.1
83.04975	3.2
83.08613	11.1
84.06443	0.7
85.02895	1.6
85.06528	4.1
87.04470	1.6
91.05472	16.7
92.93099	1.0
93.07037	28.9
95.04944	4.6
95.08599	13.4
97.02879	0.8
97.06503	4.6
97.10115	1.2
99.08111	1.9
105.07027	5.9
107.04980	1.1
107.08585	16.4
109.06522	2.1
109.10144	52.3
111.08076	5.2
113.05914	0.7
117.07000	4.9
119.08561	7.3
121.06470	1.6
121.10133	8.9
122.10475	0.8
123.08070	2.4
123.11690	2.4
124.19627	0.7
126.27637	0.7
127.03923	1.1
129.07048	1.1
131.08566	6.1
133.10114	5.3
135.08034	1.2
135.11690	5.2
137.09622	3.4
140.77707	0.8
143.08549	1.5
145.10149	2.2
147.11688	2.4
149.13246	12.2
151.11147	1.7
155.10686	2.2
157.10095	1.2
159.11647	6.1
167.14444	0.8
171.11722	1.2
173.11729	17.4
173.13123	0.8
177.12759	3.7
179.14401	1.1
189.12946	0.7
195.13791	5.9
199.06973	1.8
229.22704	0.9
247.08401	0.9
249.47021	0.7
286.66156	1.0
307.00159	3.3
331.13107	0.8
332.07489	0.7
363.07452	2.8
364.06946	2.0
382.07904	0.8
387.25275	0.9
395.13962	1.2
423.27322	33.5
423.32681	2.1
430.33051	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2355
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
52.21286	1.0
55.05508	2.9
57.07089	0.9
67.05236	0.9
67.05513	10.6
69.07061	3.0
70.06577	2.3
70.65158	1.6
70.65556	1.7
70.71593	0.7
71.08600	1.0
79.05504	4.1
81.07063	7.7
83.08612	2.2
88.07632	1.9
91.05472	3.5
93.07053	5.2
95.04955	1.1
95.08595	4.6
97.10224	0.9
102.09184	1.3
105.07043	3.4
107.04922	1.0
107.08627	2.7
109.06539	1.8
109.10181	5.9
117.07020	1.8
119.08600	2.7
121.10146	2.9
123.08060	1.5
131.08604	2.0
133.10156	1.7
135.08093	4.4
135.11690	1.6
136.08401	3.0
145.10106	1.6
147.11710	0.9
149.02324	5.8
149.13263	2.2
150.02695	4.5
157.10106	1.5
159.11700	1.4
161.09563	0.9
171.11775	0.8
173.11812	1.2
173.13254	1.0
177.12749	1.1
179.14386	1.6
183.11678	0.9
193.04950	6.2
194.05351	5.6
206.02124	0.8
256.26404	3.0
257.26697	4.3
261.74237	0.8
349.19879	1.8
396.46832	0.9
423.23581	100.0
423.29514	17.5
424.23813	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	423.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
63.86787	0.8
67.05505	1.4
70.06592	1.5
70.41381	1.2
70.41727	2.6
71.59303	0.8
79.05499	1.1
81.07071	1.6
93.07062	2.0
95.08592	1.4
121.35878	0.9
128.98648	0.8
147.11723	0.9
157.06587	1.3
163.43498	0.8
169.03317	0.9
175.05078	0.8
210.14973	0.9
254.81926	0.8
295.15079	2.1
299.14731	5.1
302.34967	1.0
309.16702	1.1
335.18320	8.9
404.44675	0.9
423.23553	100.0
423.32736	2.8
424.23679	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	423.2351
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
50.53015	0.6
54.10482	0.7
55.01874	0.7
55.05514	3.5
56.05035	0.7
56.96555	1.2
57.03425	2.0
67.05506	5.4
67.79135	0.5
69.07054	2.2
70.06599	3.1
71.04996	0.8
71.50331	0.7
72.08150	2.1
79.05517	3.8
80.05841	0.8
81.03417	1.3
81.07054	6.5
83.04996	1.1
83.08614	1.6
84.04510	1.4
84.08136	1.7
85.02891	0.7
86.09698	1.8
91.05479	3.8
93.07063	5.0
94.07363	0.6
95.04965	2.0
95.08600	3.4
97.01307	0.6
97.10161	0.7
98.98468	12.5
105.07030	3.1
107.04956	4.2
107.08585	2.6
109.06519	0.7
109.10148	0.9
110.07195	0.8
117.07025	1.8
119.08582	1.9
120.08085	1.0
121.06467	0.9
121.10152	1.1
129.06958	0.6
129.10269	0.7
130.05025	1.2
131.08543	2.1
133.10147	1.5
135.11664	0.9
141.06938	1.5
145.10117	1.4
147.11670	0.9
149.13249	2.2
155.01022	6.4
157.06554	0.8
157.10072	0.9
159.11682	1.6
171.11679	0.8
172.11884	0.8
177.12726	1.2
195.13828	1.8
208.14209	0.7
209.13086	0.7
249.08745	0.8
251.16435	2.4
269.17526	2.2
282.17773	3.5
379.21027	1.7
405.18536	0.6
423.23538	100.0
424.23688	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.235
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
50.34466	0.4
55.01890	0.4
55.05498	1.8
67.05505	1.9
69.03396	0.5
69.07082	2.0
70.06577	0.8
70.71675	1.2
71.08624	0.4
72.08167	0.5
75.32652	0.4
79.05470	1.6
81.07054	3.0
83.08607	1.5
91.05465	1.2
93.07030	1.8
95.08598	3.0
96.97282	0.4
97.06551	0.5
97.10204	0.7
100.11241	1.0
105.07011	1.2
107.04936	1.2
107.08592	2.1
109.06506	0.4
109.10136	1.1
110.76871	0.4
111.08115	0.5
117.07011	0.6
119.08553	1.3
121.10143	0.8
123.11681	0.7
123.25836	0.4
129.07040	0.5
131.08589	1.0
133.10129	0.9
135.07965	0.5
143.08565	1.1
145.10114	1.1
147.11694	0.5
155.08537	0.6
157.10118	1.5
159.11719	0.6
164.94356	0.4
169.10182	0.6
171.08060	0.5
171.11789	0.7
181.10164	0.7
183.11725	0.8
195.11694	0.7
197.13280	0.7
201.12680	0.6
207.11801	0.5
209.13245	1.2
223.14639	0.4
233.15416	0.5
247.14804	0.6
267.17557	0.5
283.17017	0.9
285.18372	0.9
297.13083	0.7
297.18347	0.5
300.53925	0.5
312.00702	0.4
334.85336	0.4
335.18274	11.1
335.22339	0.6
339.23111	0.6
349.20032	0.6
353.15625	1.0
405.15375	0.5
405.22690	0.9
405.31500	1.8
423.23538	100.0
423.31760	5.0
424.23788	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	24.3
55.96946	5.9
56.96565	19.2
57.07080	12.9
67.05513	43.2
69.07070	37.4
71.59329	7.1
79.05495	23.9
81.07065	61.5
83.08626	16.9
84.08141	6.1
86.09714	12.8
91.05486	23.2
91.77583	5.5
93.07046	35.9
95.05003	7.0
95.08614	67.3
97.06519	7.3
97.10139	11.4
104.10742	16.2
105.07045	23.1
107.04967	15.2
107.08585	28.5
109.06566	6.1
109.10155	30.5
117.06996	9.0
119.08593	15.2
121.06531	9.6
121.10165	20.2
123.08081	9.5
123.11712	18.1
128.06238	7.8
129.07013	11.9
131.08537	14.9
133.10167	14.5
135.08026	9.2
135.11720	16.3
137.13268	41.9
143.08575	8.6
145.10135	17.7
147.08031	5.7
147.11697	11.3
155.08623	9.3
157.06485	7.9
157.10152	18.9
159.08080	13.4
159.11729	15.8
163.14803	5.6
169.10127	7.1
171.11725	10.8
173.09602	10.0
173.13309	6.7
175.14795	10.4
181.10045	10.0
183.11708	6.9
184.07373	10.9
185.13336	7.5
195.11743	11.5
196.09282	6.7
201.12790	10.1
205.10005	5.9
211.14905	13.1
215.14394	6.8
223.14810	6.5
227.14380	6.8
237.16475	7.5
251.17967	6.5
265.15991	5.5
268.74741	6.3
272.41754	5.7
283.17038	13.4
283.20490	5.3
285.18567	8.5
297.22189	9.2
313.21448	6.4
325.78149	5.9
331.15909	19.0
333.16354	7.7
349.16895	37.4
351.18106	10.9
353.24704	5.2
405.31644	20.8
423.23712	61.9
423.32745	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84971	0.2
52.71509	0.3
65.58564	0.3
69.57619	2.1
70.06576	1.0
71.53500	0.2
76.43029	0.3
89.84947	0.3
92.02359	0.2
98.97548	0.3
107.04953	2.2
108.05283	0.8
120.08139	0.6
133.07635	0.2
145.76669	0.2
147.04333	0.7
159.80315	0.3
160.24704	0.3
170.43492	0.3
177.05408	0.4
183.22253	0.3
251.02959	0.3
261.13089	12.8
262.13596	0.3
265.05289	0.3
423.18347	100.0
424.18579	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.4
55.05511	31.6
56.96563	17.5
57.07080	15.7
60.79173	3.4
65.03927	3.6
65.91176	3.2
67.05505	38.9
69.07065	39.8
70.06590	6.1
71.08625	12.7
71.59457	7.5
71.95261	3.3
79.05500	24.0
81.07053	58.9
83.08620	39.3
84.08123	4.3
86.09682	4.8
91.05470	22.1
93.07054	36.8
95.04980	4.4
95.08607	60.7
97.10173	15.5
99.45002	3.3
103.05460	3.3
105.07048	29.4
107.04960	8.3
107.08601	52.1
109.06547	5.3
109.10168	26.6
110.81322	2.9
117.06995	9.0
119.08575	18.9
121.06528	15.4
121.10131	31.0
123.08057	9.4
123.11715	12.3
129.06998	9.5
131.08568	23.0
133.10167	16.3
135.08107	7.4
135.11678	10.8
137.13260	28.3
138.52812	3.2
141.07002	8.5
142.07834	6.4
143.08556	16.6
145.10098	18.0
146.99687	4.6
147.07970	4.2
147.11668	11.4
149.13277	7.3
155.08549	8.8
157.06471	4.2
157.10165	20.8
159.08037	18.2
159.11700	11.3
161.09596	8.6
161.13287	4.8
163.11208	4.4
163.14801	4.3
167.08559	7.8
169.10159	10.9
171.08031	4.5
171.11717	12.3
173.09631	10.3
173.13335	11.2
175.11186	14.1
175.14772	3.8
177.16370	5.4
183.11705	10.4
184.07365	14.2
185.09619	6.2
185.13268	16.6
187.11221	6.3
187.14906	7.2
189.16599	4.2
191.17909	8.2
193.10107	4.8
195.11638	9.2
197.13251	9.0
199.11214	4.9
199.14815	7.7
201.12756	22.2
201.16373	3.9
207.11734	6.3
209.13226	8.2
211.11118	4.1
211.14847	8.7
213.12782	4.8
213.16405	14.2
215.14383	9.7
221.13268	4.4
223.11366	3.7
223.14861	4.4
225.12531	7.6
227.14278	8.0
227.17941	3.5
229.15825	9.2
231.13753	4.2
233.15419	7.4
235.14955	4.2
237.16286	5.2
239.14304	5.6
239.18037	3.8
241.15868	11.9
245.15466	4.9
249.16467	4.5
251.09354	3.6
251.17987	5.2
259.16925	36.3
265.15820	12.4
267.17401	13.2
269.19193	4.2
277.11124	8.3
279.21082	3.8
283.16934	7.3
283.20316	4.9
285.18564	23.5
287.20029	20.0
293.19128	3.7
297.22150	4.6
303.21115	6.6
313.21530	4.1
321.22092	10.0
331.16003	22.7
339.23209	17.0
349.16895	47.0
353.24527	4.7
363.26660	6.1
363.30777	4.5
372.18460	10.1
405.31525	33.2
423.23740	63.9
423.32642	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71325	2.2
55.01872	5.0
60.04559	2.1
61.01159	11.9
71.42270	4.7
72.04513	17.3
78.03792	27.9
78.13018	2.2
83.05001	3.2
85.02914	12.1
86.06084	3.9
88.02218	6.8
94.27116	2.5
99.04468	7.0
99.05572	5.3
102.03773	31.5
103.02164	3.3
103.03938	20.8
109.02882	5.0
114.03728	4.8
120.04828	5.6
124.07604	2.8
126.05524	29.8
127.03935	8.0
130.08604	2.7
131.06387	19.6
132.04814	21.3
142.08636	6.1
149.07446	65.8
152.07127	3.9
159.05927	3.1
175.05408	4.6
180.06557	23.3
184.09737	3.9
198.07585	3.5
216.08781	3.1
231.11667	6.5
261.12704	3.8
275.10431	3.0
293.11642	100.0
294.11923	3.7
405.16843	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.1
55.05506	4.7
56.05031	8.9
60.04513	6.9
61.01138	11.0
64.97865	3.0
69.07058	4.3
70.02954	4.5
70.06588	59.9
71.04935	2.5
71.06920	3.5
71.33704	3.8
72.04527	16.9
72.08145	18.2
73.02917	4.1
74.06065	4.0
78.03790	22.2
79.49207	2.2
81.03406	6.2
83.04980	4.0
83.06094	4.6
84.04499	19.7
84.08141	43.5
85.02903	13.0
85.06505	2.7
86.06071	4.0
86.09704	43.2
88.02225	7.0
88.04008	2.9
91.05465	3.8
95.04973	3.3
96.08106	2.6
98.97602	3.5
99.04444	10.1
101.07153	2.6
102.03753	29.5
102.05537	7.2
103.03945	19.1
105.07019	3.3
107.04974	8.2
109.02851	5.6
110.07186	15.9
112.07599	3.4
112.08770	4.0
113.05991	2.9
114.03722	3.6
115.05037	4.1
115.08739	3.0
116.98643	3.4
120.04847	3.9
120.08105	15.5
123.04460	2.9
126.05517	25.6
127.03911	9.0
127.08662	3.0
129.10243	20.2
130.05061	3.8
130.08597	3.6
131.06386	16.0
132.04819	16.1
133.06462	6.9
136.07571	11.9
137.73102	2.4
141.06580	4.0
142.08621	7.7
146.99612	2.8
147.04350	3.0
147.07664	3.1
149.07439	65.7
152.07083	2.9
156.07698	5.3
157.13376	7.2
159.05832	3.0
165.05533	3.9
175.05356	7.1
180.06567	13.9
184.07320	2.5
185.12843	2.4
186.12633	3.3
198.07607	5.5
200.30922	2.4
216.08644	4.0
231.11649	4.7
261.12656	5.4
275.10565	3.2
275.78900	2.5
283.15414	4.0
293.11642	100.0
316.10602	5.5
374.75140	2.6
384.26389	2.4
405.16870	39.4
406.16907	3.5
408.38489	2.5
420.88016	2.4
423.16727	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1072
Annotation	Thonningine A
Peak:m/z	Relative Intensity
53.00302	0.1
53.03941	0.3
53.83551	0.1
55.01865	0.5
55.05500	0.2
56.96568	0.1
57.03437	0.1
63.59493	0.1
64.54324	0.1
65.03938	1.1
66.72105	0.1
67.05499	1.2
68.99784	0.5
69.03424	0.5
69.07043	0.1
69.66724	0.8
70.06568	0.3
71.01314	0.1
72.08146	0.2
77.03926	0.1
79.01859	0.1
79.05483	0.7
81.03409	1.0
81.07053	0.6
83.04971	0.2
85.02912	0.2
91.05466	0.7
93.03397	1.1
93.07023	0.4
95.04960	1.3
95.08624	0.3
97.02902	0.2
97.06519	0.1
103.05453	0.1
105.03387	0.4
105.07008	0.2
107.01336	0.2
107.04950	3.9
107.08585	0.4
108.82766	0.1
109.02875	0.7
109.06483	0.2
109.10139	0.6
111.04412	0.7
115.05438	0.4
117.06998	0.2
119.08574	0.2
121.02861	4.7
121.06476	0.1
121.10143	0.2
123.04422	0.9
125.02347	0.2
127.03919	0.9
128.06224	0.3
129.06967	0.3
131.04927	0.2
131.08546	0.5
131.21616	0.1
133.02850	0.5
133.10097	0.2
134.03654	0.2
135.04424	2.1
135.11656	0.2
137.02335	25.9
138.02705	0.4
139.03864	0.2
139.05391	0.2
141.06976	1.8
143.08528	0.2
145.06500	0.3
147.04401	1.3
149.02335	7.5
150.03076	0.3
151.03908	0.5
153.05441	0.3
153.06978	0.4
155.03426	0.3
155.04887	0.2
157.06500	0.4
159.08046	0.5
161.02336	0.7
161.05954	0.1
163.03879	1.7
163.89725	0.1
165.01813	0.2
165.05444	0.4
167.03407	2.8
167.04843	0.2
168.05707	0.2
169.05008	0.3
169.06462	2.9
171.04414	0.3
171.08026	0.3
173.05959	0.5
173.11598	0.1
174.06749	0.2
175.03894	0.2
177.01791	0.1
179.03387	7.2
180.03694	0.2
181.06479	0.3
184.05183	0.4
185.05986	0.9
186.06671	0.1
187.03908	0.2
187.07513	1.7
189.05447	0.2
191.03383	0.5
193.04950	0.4
195.04370	0.3
196.05067	0.1
197.04404	3.2
197.05989	4.7
198.06557	0.2
199.07573	0.7
200.04698	0.3
201.05435	0.7
202.06152	0.4
203.07063	0.6
207.02840	0.4
207.04535	0.2
209.04449	0.3
211.04030	0.2
212.04655	0.6
213.05453	1.6
214.06274	0.3
215.03448	0.2
215.07005	1.7
217.08583	0.5
219.02794	0.1
223.03963	0.2
225.05458	3.3
227.07019	2.1
229.04964	1.2
230.05688	0.7
239.03392	0.1
240.04153	0.2
241.04907	0.9
242.05658	0.2
243.06494	2.6
245.08025	0.5
253.04909	1.3
255.03270	0.2
255.03719	0.2
255.06500	1.3
257.04395	0.5
258.05151	0.5
259.05936	0.3
269.04407	0.3
271.05960	2.6
273.07526	1.5
281.04404	0.4
283.05920	0.6
285.04001	0.4
286.04709	2.0
286.07724	0.2
287.05341	0.3
299.05475	17.8
300.05807	0.6
301.03421	0.2
301.06943	1.6
301.12616	0.1
302.04257	0.7
305.07898	0.2
313.03052	0.1
314.04083	0.9
315.04813	0.6
317.06509	6.7
318.06989	0.3
329.06516	89.7
330.06857	2.7
330.10724	0.1
333.07700	0.1
340.08316	0.1
345.07587	0.1
361.06961	0.2
379.08011	0.3
389.06311	0.2
390.07269	0.2
391.08023	1.3
407.07556	1.9
408.08414	0.7
423.10696	100.0
424.11053	5.1
424.15720	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	423.1072
Annotation	Thonningine A
Peak:m/z	Relative Intensity
53.03926	1.0
55.01856	0.4
55.05486	1.4
56.96535	0.6
57.01830	0.4
59.28467	0.4
61.02890	0.5
65.03911	1.2
67.05495	3.8
69.03393	0.9
69.07050	1.0
70.06577	1.1
70.26516	1.4
71.04958	0.7
72.08121	0.7
79.05457	1.7
81.03406	2.3
81.07043	2.9
82.07294	0.4
83.04948	0.7
83.08595	0.8
84.04456	0.4
85.02869	0.9
86.09660	0.6
87.04479	0.5
87.13918	0.4
91.05475	2.5
93.03388	0.8
93.07034	2.1
94.06501	0.5
95.04983	2.1
95.06086	3.2
95.08562	1.4
96.06363	0.5
96.08076	0.5
96.68478	0.4
97.02856	0.8
97.06485	0.9
97.10112	0.6
105.07008	1.0
107.04939	7.1
107.08558	1.3
108.05280	0.5
109.02835	1.3
109.10114	1.9
110.09691	0.5
111.04435	0.6
111.08059	0.6
112.08769	2.2
113.07101	0.7
115.05399	0.8
117.06953	0.6
119.08540	1.0
121.02857	3.7
121.06480	0.5
123.04438	2.2
127.03889	0.9
129.06972	0.5
131.08566	0.5
133.10100	0.6
135.04366	1.5
137.02341	21.7
137.03378	1.5
138.09113	0.6
139.13196	0.4
141.06952	1.8
147.04382	1.1
149.02336	7.0
149.13211	0.4
151.03886	0.7
157.10027	0.5
159.07980	0.7
161.07890	0.4
163.03894	1.4
165.05443	0.5
166.08667	0.8
167.03395	2.9
169.06459	1.9
173.11668	0.5
179.03389	5.2
185.05966	0.8
187.07542	1.3
194.10727	0.4
197.04494	3.2
197.05965	3.8
199.07538	0.7
201.05383	0.5
203.07079	0.9
207.02859	0.6
212.04701	0.5
213.05534	1.2
215.07034	2.1
225.05328	2.1
227.07053	2.2
229.04947	1.2
230.05640	0.8
241.04738	1.0
243.06508	1.9
243.08781	0.5
245.08096	0.6
253.04956	1.3
255.06459	1.3
257.04382	0.8
271.06036	3.1
273.07465	2.0
274.15280	0.4
283.05994	0.8
286.04745	1.4
299.05481	13.3
300.05960	0.8
301.07034	1.5
302.04282	0.5
314.04282	1.0
315.05118	0.7
317.06534	7.1
318.06839	0.5
325.11813	0.7
329.06531	81.4
330.06836	2.2
391.08075	1.1
403.92651	0.5
407.07489	1.0
408.08167	0.6
422.30112	2.6
423.10718	100.0
423.22397	2.7
423.30365	5.4
424.10938	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	422.326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
53.18162	0.4
55.01868	1.0
55.05504	4.2
56.05025	3.3
56.72012	0.4
57.03440	1.1
57.07078	2.5
57.54352	0.4
60.04520	73.5
67.05500	9.6
68.05016	0.4
68.89276	0.4
69.03421	0.5
69.07063	5.9
69.29296	4.8
70.06613	1.1
71.04987	0.7
71.08608	1.1
72.04514	1.2
72.96579	0.4
74.06070	2.0
75.18897	0.4
79.05489	6.0
80.05003	0.9
81.03432	0.7
81.07050	8.3
82.06574	1.3
83.04979	0.9
83.08614	2.3
85.10163	0.6
86.06073	0.5
90.05516	1.1
91.05470	3.0
93.07024	3.4
95.04960	3.2
95.08592	6.8
96.08145	0.8
96.08955	0.5
97.06570	1.0
97.10154	1.6
98.06020	0.5
98.21491	1.1
100.07592	0.4
105.07055	1.9
107.04943	100.0
107.08553	2.8
108.05299	2.0
109.06500	0.7
109.10135	3.6
110.85365	0.5
111.08092	0.6
117.07008	0.4
119.08563	1.7
121.10139	2.0
123.08086	0.9
123.11701	1.1
128.14886	0.4
129.01083	0.6
130.38324	0.5
133.10129	1.7
135.11693	1.0
137.13313	0.5
141.01019	0.4
149.13231	0.6
179.14337	0.8
192.32906	0.4
197.07256	1.2
213.29546	0.4
219.43492	0.5
221.22672	0.5
250.25279	1.1
251.23746	0.7
262.25311	1.7
268.26294	0.6
280.26315	9.1
298.27368	13.7
316.28430	96.0
317.28796	3.1
331.26324	0.6
422.32669	12.6
423.27396	1.1
423.32645	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46399	1.1
55.01857	1.6
55.05501	5.0
56.05020	3.1
56.96547	2.3
57.03425	3.0
60.04523	2.3
67.05497	2.8
68.05029	14.7
68.58469	1.1
69.04548	1.1
69.07062	2.7
70.06590	25.7
70.09611	1.6
70.10019	4.8
72.08151	11.8
76.02238	2.2
79.05471	2.8
80.05019	32.7
81.03429	1.8
81.04537	3.9
81.07035	4.6
82.05301	1.4
82.06560	1.5
83.04984	1.8
83.06100	8.0
84.04501	5.1
84.08143	12.4
85.01126	1.5
86.00639	2.3
86.09708	16.1
86.99064	2.0
91.05472	7.1
93.05767	1.3
93.07024	2.1
94.06570	15.8
95.06092	100.0
95.08591	1.5
96.06409	1.5
97.02871	1.7
98.06051	1.5
103.05438	1.9
104.06286	1.0
104.10780	1.7
105.06990	2.6
106.06548	2.6
107.04944	7.9
107.08615	2.8
108.08137	2.3
110.07176	5.4
112.02177	2.2
112.08714	2.6
112.11186	1.0
116.01665	1.7
116.07141	1.1
117.07021	1.4
118.06478	1.4
120.08115	13.8
121.08405	1.8
121.10158	1.3
129.07002	2.8
129.10242	6.6
130.04968	1.9
130.06522	2.8
131.08565	1.4
132.08113	3.8
132.10217	1.1
134.09642	1.5
134.99515	1.1
135.07991	1.2
136.06213	1.3
136.07526	1.2
142.03259	1.3
143.02716	2.2
145.07637	1.6
146.09587	1.7
147.09126	1.4
157.06520	1.2
157.07704	1.6
157.10133	2.2
159.07965	1.4
160.08681	2.5
161.09541	1.8
162.10271	9.3
172.08665	1.5
172.11026	1.2
174.10271	48.2
174.12785	5.8
175.10777	1.4
176.14354	3.1
184.07396	2.4
186.10321	1.2
186.12785	11.3
188.11848	2.6
189.03316	3.8
192.13853	3.1
204.13820	3.6
214.13448	1.3
215.04890	1.9
258.19699	3.0
260.16461	1.8
268.18091	27.7
281.62567	1.2
284.17572	3.8
286.19144	43.3
287.19507	2.4
302.18597	7.2
304.20175	12.8
316.15305	1.2
342.21765	4.1
360.22803	49.9
361.23096	2.6
378.23880	58.1
379.24152	2.7
404.21860	6.8
422.22888	23.6
423.16284	3.1
429.41620	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76619	0.4
55.01844	0.4
55.05501	0.6
56.05029	3.0
56.26336	0.4
67.05492	0.7
69.07058	0.9
70.06580	1.7
70.07425	2.0
71.04979	0.4
72.08142	0.8
74.06075	8.3
75.40356	0.3
77.07705	0.4
79.05473	0.9
80.54885	0.4
81.03413	0.8
81.07049	0.9
84.04483	0.5
84.08159	0.8
85.02899	0.9
86.09700	100.0
87.10043	1.1
91.05470	0.9
93.07050	0.9
95.04978	0.4
95.06068	1.0
95.08617	0.5
97.02863	0.7
97.06532	1.3
98.06059	0.8
103.05477	0.5
105.07022	0.6
107.04962	3.9
110.07212	0.4
112.08750	0.5
116.07077	0.9
116.10718	0.5
119.08590	0.5
120.07232	0.7
120.08100	13.5
121.06549	0.5
121.10148	0.7
122.09709	0.4
124.11310	0.4
126.05511	5.5
131.04852	0.4
139.12294	0.7
144.06589	0.9
146.09584	0.5
163.03867	0.4
166.08635	5.7
174.07826	0.4
193.12120	0.4
195.11284	2.9
204.06589	0.6
211.14461	1.7
221.43935	0.4
239.13896	10.4
239.16220	0.7
248.16396	0.9
250.17999	3.3
257.14981	0.4
259.09818	0.4
279.17010	8.0
314.04156	0.5
329.06586	1.6
360.19098	1.0
422.29422	6.2
423.10858	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.2
55.05514	4.5
56.05041	1.9
56.76233	0.8
57.03431	2.2
60.04509	1.7
61.01153	0.9
64.09829	0.9
67.05496	3.3
68.05028	12.6
69.07065	2.1
70.06593	18.2
71.19695	1.9
72.08160	6.7
75.04474	0.9
76.02208	1.1
79.05479	4.4
80.05015	30.3
81.03422	1.6
81.04530	3.5
81.07043	2.1
82.05318	1.5
82.06622	1.3
83.06085	7.0
84.04507	5.2
84.08138	8.7
86.09707	12.5
87.05591	1.8
88.04043	1.0
91.05481	3.2
93.07044	2.1
94.06562	16.0
95.06090	92.8
95.08598	1.8
96.06417	1.2
102.05560	1.4
103.05459	1.2
104.10730	1.0
105.06995	2.2
106.06568	3.7
107.04945	5.3
107.08595	3.5
108.08118	1.6
110.07167	3.0
112.08725	1.4
114.05457	1.0
116.01659	1.1
118.06557	2.3
119.08591	1.1
120.08110	15.4
121.08466	1.0
129.06992	1.6
129.10239	5.5
130.05029	1.4
130.06523	3.4
131.08554	2.3
132.08069	2.5
133.07631	2.7
134.09622	1.7
136.06169	3.1
136.07603	1.3
144.08102	2.0
145.07550	2.0
146.09610	1.4
157.10164	2.5
159.07971	1.2
161.09541	1.2
162.10271	11.4
167.69420	0.9
169.06432	0.9
172.08755	2.1
172.95216	1.9
174.10275	46.9
174.12756	3.8
176.14400	3.4
177.06676	4.3
184.07339	3.0
186.12762	10.5
187.10881	0.9
188.11852	2.5
189.03235	1.6
189.12114	1.0
190.96283	1.5
192.13823	4.2
202.06000	1.1
204.13818	2.2
205.17090	1.0
214.16115	0.9
223.10873	1.4
228.97855	1.2
231.09297	0.8
242.15521	0.9
258.19702	1.7
266.16507	1.1
268.18109	29.7
269.10593	2.9
284.17593	2.0
286.19128	43.3
286.87805	0.9
287.11710	2.8
287.19510	1.7
302.18710	4.7
304.20303	2.3
308.91623	0.8
335.12421	2.1
342.21707	1.7
360.22784	19.0
376.22333	2.4
378.23877	100.0
379.24152	5.9
404.22250	1.4
405.09860	6.2
422.12125	1.6
422.22821	29.5
423.10977	2.8
423.23441	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	15.8
55.01860	15.7
55.05495	4.4
57.03414	4.5
63.44863	5.9
69.03428	40.7
69.07049	12.7
69.26788	52.6
70.06581	7.6
71.01360	4.9
71.04974	6.1
73.02905	15.8
73.78232	4.5
79.05436	4.8
81.03417	43.7
84.08134	7.5
85.02907	100.0
87.00821	49.3
91.03985	4.4
91.05478	7.0
93.07057	5.4
94.46369	4.0
97.02901	58.7
98.06957	4.4
99.04438	15.2
105.01862	38.5
107.04947	20.5
107.08562	6.9
108.04453	17.6
108.20326	4.3
109.02892	44.0
111.11716	9.9
121.06503	6.1
126.05567	5.1
127.03934	86.9
129.01814	6.8
139.11134	15.6
145.04971	31.5
155.00970	4.3
157.12241	11.2
159.02913	26.4
184.07329	6.4
231.05052	15.5
248.07614	5.8
396.51572	5.0
422.22220	40.2
422.31284	10.2
423.23395	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	422.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	5.8
55.05501	11.4
56.05031	9.5
57.03416	4.8
58.99572	7.7
60.04515	10.4
60.08162	4.7
63.77577	4.7
67.05497	15.2
68.05034	6.7
69.03423	14.8
69.30728	3.7
70.06593	96.7
71.06925	5.1
71.58114	7.1
72.08160	29.3
74.00667	7.6
74.06057	6.2
76.02222	11.1
79.05492	25.6
80.05017	5.2
81.03402	7.0
81.07051	19.2
84.04503	21.0
84.08143	69.9
85.01113	8.8
85.02893	18.9
86.00630	16.3
86.06093	4.4
86.09705	78.2
86.99045	17.7
87.10019	6.5
88.03962	5.3
91.05482	19.8
93.07037	10.9
95.04967	7.7
95.06084	8.6
95.08574	5.1
97.06543	11.8
98.09705	7.6
98.98457	7.5
99.04452	6.2
102.05540	10.6
105.07024	14.8
107.04953	61.1
107.08597	6.6
109.10161	29.2
110.07169	18.9
112.02158	10.1
114.03768	6.1
116.01668	13.8
119.08583	18.2
120.08088	17.7
121.06459	5.5
125.06010	5.6
129.10251	16.9
133.06508	4.7
136.07570	9.5
137.09618	49.3
138.06721	4.8
140.39491	4.8
142.03168	5.0
143.02750	11.0
143.08565	18.2
145.10150	6.6
147.08067	21.5
161.09608	100.0
163.11189	6.2
164.46222	4.5
165.09117	92.9
171.02251	6.3
179.04866	7.0
179.10655	11.5
184.07317	22.8
189.03265	26.7
189.09096	13.5
199.84781	4.4
207.10144	78.2
215.04910	10.9
217.06575	6.1
225.11205	27.2
342.21765	8.9
376.22131	5.8
394.22931	6.1
419.20041	5.3
422.22842	18.7
423.16248	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	422.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28000	2.2
52.73317	2.3
54.34076	2.7
55.05511	12.1
56.96563	3.2
57.03426	4.1
60.65075	2.4
62.06099	17.4
64.96952	2.3
65.03941	2.9
67.05505	33.9
67.87495	2.4
69.07065	7.7
70.06579	8.9
71.59010	4.1
72.08160	3.9
79.05485	32.5
80.05006	3.5
81.03417	4.3
81.07041	24.7
83.04969	10.3
83.08627	6.0
84.08126	5.9
85.02927	3.2
86.09698	5.3
91.05487	28.9
93.07049	29.4
95.04956	11.6
95.08610	17.5
97.06512	4.3
97.10135	3.7
98.98468	23.4
105.07021	22.7
107.04935	10.0
107.08574	14.1
108.33337	2.5
109.06507	3.7
109.10114	3.5
117.07021	3.8
119.08582	15.5
120.08125	4.1
121.06479	4.9
121.10149	3.0
123.08063	4.2
123.76718	2.3
129.06990	10.2
131.08597	5.5
133.06473	3.9
133.10135	8.3
139.04915	2.3
143.08554	8.1
145.10124	9.5
147.11700	23.7
155.01070	13.1
161.09589	3.3
161.13199	12.9
171.11684	24.4
173.02179	3.5
184.07372	2.8
189.12758	23.6
190.64832	2.9
207.13844	25.5
225.14781	13.4
281.17484	100.0
324.23578	2.6
325.07526	5.9
337.07510	9.6
343.13007	6.1
361.14206	19.0
386.17233	9.9
404.18219	32.3
405.18771	2.5
422.22519	20.4
422.31290	8.1
423.23608	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	422.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
53.91096	0.7
55.01866	1.6
55.05275	0.7
55.05515	9.4
57.03434	9.7
61.62887	0.7
65.03915	1.5
67.05503	27.6
69.03438	0.9
69.07069	6.3
69.34134	1.4
69.34541	6.6
70.06583	1.7
70.52572	0.7
71.04998	1.3
72.08141	1.0
79.05495	37.6
81.03420	4.0
81.06590	1.2
81.07058	20.0
83.04978	10.7
83.08606	3.3
84.08144	1.2
85.06525	1.2
86.09691	2.3
89.22385	0.7
91.05481	20.8
93.06476	1.5
93.07041	26.6
93.07627	1.3
95.04972	10.4
95.08614	14.4
97.06547	1.9
97.10167	1.4
98.98441	1.6
105.07034	19.3
107.04972	4.3
107.08595	6.3
109.06506	3.1
109.10148	3.4
111.08103	0.9
114.71017	0.7
117.07010	4.3
119.08585	11.3
121.06475	1.1
121.10136	2.6
123.08064	3.0
128.06253	1.5
129.07014	6.9
131.08545	1.5
133.06485	0.8
133.10127	4.8
135.11670	1.1
136.07593	1.1
143.08554	4.1
145.10133	4.8
147.08131	1.1
147.11690	19.9
155.00911	0.9
161.09641	1.8
161.13261	6.2
163.11122	1.3
171.11681	12.8
189.12733	5.8
207.13795	13.7
224.62186	0.8
225.14888	1.4
250.17987	1.2
260.60175	0.7
281.17474	100.0
282.17798	2.7
386.17282	1.1
404.18286	4.8
422.21548	1.2
422.26437	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.8
56.61827	0.6
57.07074	27.9
65.03930	0.8
67.05509	7.5
69.07063	100.0
69.42107	0.6
70.04069	1.2
70.07446	1.3
70.07830	6.3
71.59554	1.4
81.03456	0.6
81.07047	1.3
89.06020	0.6
89.14985	0.8
91.05473	1.3
95.04976	4.8
99.00007	4.3
101.55834	0.7
103.03174	1.7
107.04967	0.8
107.58233	0.7
109.07629	0.9
109.10207	0.9
113.01568	1.9
114.77087	0.6
115.07558	11.9
123.92240	0.8
126.99467	9.9
127.01247	0.9
129.01024	15.2
129.01918	1.0
138.10268	3.0
141.01018	20.8
141.63283	0.6
148.18642	0.7
151.10989	0.7
155.02580	9.3
160.08879	0.9
161.09674	0.9
166.44539	0.6
178.09734	4.1
181.04063	0.8
188.08336	0.7
195.05716	2.5
197.07269	49.6
198.07687	1.2
198.12473	1.2
223.05168	4.3
225.04944	3.8
225.06801	1.6
238.11874	2.5
252.17070	1.0
295.19034	0.8
297.99350	0.9
303.30432	0.7
334.09534	2.0
362.16257	49.1
363.16388	1.3
370.88763	0.8
422.18390	48.5
423.18826	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	422.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	0.7
53.03938	0.9
54.13279	0.6
55.05506	3.0
57.07074	33.3
58.07412	0.6
60.04522	1.0
62.36560	0.6
67.05499	3.6
69.07064	100.0
70.04076	3.8
70.06581	0.7
70.07438	1.2
70.07847	7.0
71.59109	1.0
73.06554	1.1
79.05511	1.0
80.04747	0.6
81.07066	2.0
83.04918	0.7
83.08608	0.8
85.02904	0.8
85.99271	0.5
91.05475	2.0
93.07030	1.4
94.04197	0.7
95.04962	1.2
95.08628	0.8
97.06515	0.7
98.45477	0.6
99.00011	3.2
99.08092	1.0
103.03149	1.1
103.35511	0.7
105.07033	1.2
107.04947	3.7
107.08634	0.8
108.53372	0.6
109.06533	0.9
109.10139	0.9
110.03465	0.7
111.04436	1.1
112.05100	0.6
113.01577	2.5
115.07555	16.7
119.08627	0.7
121.06472	1.3
126.99474	9.9
128.88063	0.5
129.01024	16.3
131.08559	0.8
135.77464	0.6
138.10233	1.5
139.00598	1.0
140.34787	0.7
141.01021	19.9
148.08690	1.0
155.02573	9.0
160.08641	0.6
161.09619	1.0
167.03726	0.6
180.11325	1.8
183.02063	0.7
184.07413	1.0
189.29012	0.5
190.09901	0.7
197.07272	60.4
198.07626	1.4
206.09256	1.1
210.12352	2.1
225.06766	4.1
238.03809	2.4
238.11903	1.8
252.17183	1.0
262.07507	1.4
263.20129	0.7
264.20602	0.7
267.00531	0.6
271.20218	0.5
294.17944	3.0
316.28464	2.7
334.09543	9.5
336.11047	4.2
348.14664	2.1
362.16183	7.5
366.12128	1.3
372.14786	0.7
404.17230	4.3
422.18378	37.7
423.18826	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.8
56.61827	0.6
57.07074	27.9
65.03930	0.8
67.05509	7.5
69.07063	100.0
69.42107	0.6
70.04069	1.2
70.07446	1.3
70.07830	6.3
71.59554	1.4
81.03456	0.6
81.07047	1.3
89.06020	0.6
89.14985	0.8
91.05473	1.3
95.04976	4.8
99.00007	4.3
101.55834	0.7
103.03174	1.7
107.04967	0.8
107.58233	0.7
109.07629	0.9
109.10207	0.9
113.01568	1.9
114.77087	0.6
115.07558	11.9
123.92240	0.8
126.99467	9.9
127.01247	0.9
129.01024	15.2
129.01918	1.0
138.10268	3.0
141.01018	20.8
141.63283	0.6
148.18642	0.7
151.10989	0.7
155.02580	9.3
160.08879	0.9
161.09674	0.9
166.44539	0.6
178.09734	4.1
181.04063	0.8
188.08336	0.7
195.05716	2.5
197.07269	49.6
198.07687	1.2
198.12473	1.2
223.05168	4.3
225.04944	3.8
225.06801	1.6
238.11874	2.5
252.17070	1.0
295.19034	0.8
297.99350	0.9
303.30432	0.7
334.09534	2.0
362.16257	49.1
363.16388	1.3
370.88763	0.8
422.18390	48.5
423.18826	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	422.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83907	0.5
51.02366	0.5
55.01885	0.8
55.05510	4.3
56.96566	0.5
57.07073	27.2
66.83141	0.5
67.05495	4.6
69.03419	1.0
69.07062	99.2
70.04076	1.2
70.07439	1.1
70.07843	6.0
70.78554	1.0
70.78887	1.1
72.08147	0.5
73.02905	0.7
77.83559	0.4
79.05495	1.7
81.03426	1.0
81.07054	2.1
83.08614	1.3
85.02879	0.7
87.00020	0.8
91.05477	2.9
93.07050	1.2
94.04212	0.6
94.07407	0.5
95.04962	2.0
95.08601	1.1
97.02901	0.6
98.99998	4.8
103.03106	0.6
105.07024	1.2
107.04973	2.3
107.08559	0.6
109.10148	0.9
110.03532	1.7
111.04440	1.0
113.01546	2.9
115.07556	7.9
117.06989	1.0
119.08553	0.7
121.06512	0.6
121.10146	0.8
126.99461	8.6
127.01244	0.7
129.01021	17.0
132.10182	0.9
133.10136	0.6
135.08057	0.6
139.00583	0.7
141.01013	19.6
141.20123	0.6
144.95796	0.7
154.06142	1.6
155.02574	8.1
158.97617	0.8
161.09657	1.4
166.13448	0.6
190.09909	0.7
197.07266	42.9
198.07709	0.6
198.12303	3.6
210.12367	2.0
211.13115	4.3
225.06772	1.5
238.11848	7.9
243.12129	6.0
253.14243	1.0
295.18848	6.7
330.21347	1.6
422.18372	100.0
422.34103	3.0
423.18747	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	422.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.3
53.03934	4.5
55.01859	0.9
55.05510	6.9
57.07074	29.2
58.04211	4.1
65.03960	0.8
67.05508	4.0
69.07064	100.0
70.04082	7.4
70.07446	1.2
70.07841	6.8
71.04980	1.5
71.09065	2.1
73.02913	21.9
73.06561	2.0
77.03929	1.7
79.05486	1.3
80.05509	10.5
81.03436	0.7
81.07056	2.4
83.04962	4.9
83.89922	0.7
85.04034	0.7
86.99979	0.7
87.04460	8.3
89.06026	41.9
90.06358	1.1
91.05476	11.8
92.05800	0.7
93.07036	16.7
94.07395	1.1
95.04967	12.5
95.08604	1.2
99.00016	4.6
99.08105	2.9
102.06798	7.0
103.05459	7.0
105.04527	2.9
105.07035	2.2
107.04954	1.2
107.07075	1.4
107.08607	0.9
109.06543	1.0
109.10163	0.7
109.72612	0.8
111.04415	1.2
111.07344	0.7
111.08086	0.9
113.01557	2.5
115.06775	1.4
115.07568	20.6
117.07063	0.9
119.04912	2.2
119.08580	1.9
121.06501	47.5
122.06850	1.5
124.08059	4.4
126.06648	0.7
126.99465	11.2
129.01025	17.9
130.08621	2.1
131.07016	1.3
133.08595	21.1
137.41753	0.7
138.10301	1.2
139.00537	0.9
140.04530	1.4
141.01019	18.9
142.06117	1.4
145.06509	0.7
146.09421	1.6
147.08035	2.8
154.06129	1.0
155.02583	9.8
155.06934	2.7
155.09900	1.6
159.10152	0.8
161.09595	1.0
162.10432	0.8
164.10400	1.0
165.09081	9.0
169.04147	1.9
177.11261	5.1
180.11314	4.6
182.05600	2.9
183.05725	3.9
196.21410	0.7
197.07278	69.8
198.07610	1.6
210.12361	1.3
211.05232	1.2
221.13779	1.3
225.06720	3.2
238.11842	8.0
239.12630	2.6
256.12955	0.8
278.03442	1.2
283.17548	1.6
330.21213	0.7
362.16147	1.0
366.12131	98.6
367.12433	2.7
404.17303	2.5
422.13937	1.2
422.18552	13.2
422.30368	1.1
447.92838	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.5
53.03943	4.9
55.01871	0.8
55.05510	4.4
57.06789	1.4
57.07071	27.4
58.04214	4.9
63.18749	0.6
65.03929	0.9
67.05500	4.2
69.07061	100.0
70.04065	6.1
70.07433	1.0
70.07841	6.2
71.04978	1.8
73.02907	22.6
73.06560	3.8
77.03938	0.8
78.27885	0.7
79.05487	1.7
80.05501	8.4
81.07063	1.5
83.04984	3.9
85.06540	0.7
87.04456	7.6
89.06023	45.6
90.06349	1.3
91.05473	13.1
91.06007	1.2
92.05805	0.8
93.07033	19.3
93.07621	1.0
94.04234	0.8
94.07362	0.9
95.04958	13.4
95.08553	0.7
98.20762	2.5
99.00017	3.7
99.00549	0.5
99.08079	3.0
101.41375	0.6
102.06785	7.7
103.03130	1.2
103.05450	7.1
103.23615	0.6
105.04524	2.6
105.06259	0.6
105.07005	1.3
106.07427	0.7
107.04931	1.5
107.07066	2.1
109.06488	0.7
109.10131	1.4
111.08083	1.2
113.01559	2.9
115.07550	14.9
117.07069	1.5
119.04952	1.7
119.08578	2.0
121.06492	50.1
121.10130	0.8
122.06842	2.4
123.08006	0.9
124.08072	4.5
126.99461	10.4
127.03098	0.8
127.07549	0.7
129.01013	16.5
129.01906	1.0
130.08607	1.4
131.07033	1.2
133.08592	21.2
135.08051	1.4
136.08664	0.8
138.10263	2.1
139.00603	1.4
141.01013	20.4
142.06142	1.5
145.10130	0.8
146.09340	1.9
147.08031	3.6
149.09680	0.8
155.02568	8.8
155.06865	1.2
155.09953	1.3
156.10376	0.6
161.09569	0.9
162.10283	1.5
165.09105	9.0
166.09579	0.8
169.04105	0.6
175.61269	0.8
177.11201	5.2
180.11305	4.2
182.05565	3.6
183.05746	3.0
190.09857	0.7
197.07269	56.0
198.07660	1.8
209.11748	1.2
210.12448	1.7
221.14006	1.0
224.10237	0.8
225.06709	2.9
230.12416	1.0
238.11847	6.9
239.12654	2.2
239.14897	0.6
256.12955	0.8
278.03372	1.1
283.17633	1.5
294.18277	0.6
322.16742	0.6
330.21497	0.7
342.59381	0.7
362.16385	1.0
366.12112	75.7
367.12656	2.5
404.17334	2.4
422.18509	11.2
422.35907	0.8
423.19138	0.8
423.27457	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81723	3.1
55.05517	3.3
56.05027	6.6
57.03429	3.8
58.99580	16.3
60.58890	3.1
62.72752	2.7
69.07059	8.7
70.06589	17.7
71.57739	3.4
74.00642	3.2
74.60832	3.0
75.95995	3.3
76.02228	87.2
76.04027	3.7
79.05481	12.4
81.03406	7.6
81.59016	2.8
82.06580	31.6
83.06104	5.2
84.04506	39.2
84.08143	79.0
85.02884	7.4
85.04016	6.5
86.09698	5.5
86.99017	7.1
92.01669	3.8
96.08113	5.9
97.06528	100.0
101.99643	2.6
107.04935	5.8
110.07154	3.3
111.12453	2.8
112.03959	3.5
116.01669	26.5
125.10740	3.1
126.09144	12.8
129.10240	6.7
130.05005	21.4
131.04494	4.3
133.06274	3.7
142.03278	5.9
144.01147	12.7
154.06871	7.0
154.22208	3.3
162.02196	39.0
167.15451	4.3
170.02631	5.0
172.07829	5.7
177.03276	12.6
179.04866	86.9
195.14919	19.5
210.11188	5.3
228.12268	4.5
233.05887	18.1
241.15446	41.0
243.17102	5.0
245.05997	4.2
257.09412	3.6
260.19708	13.9
302.20874	3.9
308.09027	30.6
338.20822	15.5
369.20108	6.1
373.24191	3.3
386.23013	15.4
404.23859	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	422.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	0.5
55.05515	2.8
57.07071	29.5
57.38872	0.5
66.93201	0.5
67.05498	1.8
69.07061	100.0
69.29069	1.8
69.29499	3.7
70.04073	0.9
70.07452	0.8
70.07845	7.1
83.04989	0.9
91.05464	1.4
94.04161	0.7
95.04967	0.8
95.78570	0.5
97.06503	0.8
99.00006	5.7
103.03124	1.4
107.04966	0.6
107.29088	0.4
110.07125	1.2
111.04426	0.8
113.01563	2.8
115.07555	25.9
126.99457	10.6
127.03106	0.6
129.01022	14.5
134.07114	1.3
139.00569	1.0
140.04541	1.5
141.01001	22.2
152.08197	0.9
155.02567	8.3
161.09619	0.6
162.06639	1.3
180.06061	0.9
180.07668	16.4
197.07266	71.8
198.07588	1.0
199.07033	0.9
220.71205	0.5
225.06761	4.6
228.17230	0.4
233.12798	0.5
248.50255	0.6
250.15388	0.7
252.59068	0.5
294.14398	2.2
335.97412	0.5
404.13348	2.3
422.14670	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	422.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	0.6
53.03939	0.6
53.99810	0.4
55.05510	3.8
57.07073	29.5
60.04522	0.4
63.75012	0.5
67.05498	2.6
69.07063	100.0
69.80912	1.6
69.81325	0.9
70.04073	1.8
70.07446	0.7
70.07841	6.7
79.05497	0.6
81.07065	0.5
83.04984	3.4
85.06535	0.9
87.00035	0.5
91.05442	0.9
94.04190	0.7
95.04958	1.0
95.60468	0.4
95.72604	0.4
96.01965	0.4
98.99990	4.8
103.03127	1.1
107.04945	1.8
111.04421	0.8
113.01547	2.4
114.03017	4.0
115.07561	29.4
115.13811	0.4
119.08609	0.4
120.05706	0.5
126.99461	11.1
129.01025	16.2
133.10147	0.5
139.00592	1.2
141.01015	20.4
152.08182	17.2
155.02574	8.5
156.08459	0.6
161.09634	0.8
169.00484	0.5
177.38155	0.4
180.07669	14.9
197.07274	73.2
198.07607	0.7
207.05609	0.4
210.56990	0.3
225.06773	5.9
258.10318	0.4
316.28259	0.9
376.14038	1.9
404.13672	7.0
422.14688	6.0
422.25693	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93952	0.4
54.93800	0.4
55.01823	0.4
55.05475	0.4
55.93473	10.0
55.93768	0.7
56.94260	1.3
57.07071	3.5
60.08103	1.1
63.58679	0.3
67.05441	1.2
69.03375	0.4
69.07066	1.8
70.04025	0.8
70.95850	1.9
71.07330	0.4
71.92947	1.0
72.93783	5.8
78.88287	0.3
79.05437	0.5
81.03374	0.8
81.07014	0.7
83.08566	1.2
84.05580	0.9
86.09702	3.1
88.93189	0.5
88.96834	1.4
89.94018	0.4
90.90372	3.1
90.94283	0.4
90.94811	3.8
91.05479	5.9
93.07021	0.3
94.06508	0.3
95.08561	0.4
96.14575	0.4
98.95132	0.3
98.98420	0.4
99.94846	4.8
101.96304	0.3
103.05418	0.4
104.06180	0.9
104.10735	12.0
105.07024	4.7
105.67166	0.3
106.94218	0.5
107.04916	0.8
107.95035	0.3
107.96087	0.3
108.95806	1.2
113.96340	0.7
115.05419	0.4
117.07008	3.4
117.95879	2.9
118.04097	0.9
119.08589	0.4
120.05669	0.5
123.94479	0.6
125.00031	2.6
125.01502	3.1
125.96081	0.6
128.06142	0.7
128.96307	0.7
129.06932	1.4
130.07729	0.6
130.97845	0.4
131.04922	5.4
131.08484	1.3
132.95755	1.0
134.97289	0.3
135.11598	0.4
136.95264	0.3
137.97563	0.7
138.98318	0.5
139.99055	2.2
141.96896	1.5
142.07697	0.5
142.97850	0.3
143.01485	1.3
144.95752	0.5
145.06429	0.7
145.10074	0.5
146.97351	0.7
147.07996	0.7
148.98866	0.4
150.96864	2.7
151.97643	0.3
154.97801	0.3
155.98567	4.2
157.96617	0.5
158.00133	1.8
159.00937	1.3
159.96867	0.8
159.98003	1.6
161.02602	4.1
161.96071	0.4
162.96880	0.6
163.95605	0.3
163.99135	0.6
165.04581	0.5
165.97115	5.5
166.97835	0.4
167.98653	0.4
168.11226	1.1
168.95726	0.6
169.40117	0.4
170.97437	0.4
171.07997	1.4
173.99605	3.2
175.97527	0.5
175.99115	0.8
176.02826	7.6
176.99867	0.5
177.02074	1.9
177.97081	0.4
178.00720	0.6
178.97878	4.1
179.03621	0.4
179.98618	1.1
181.96558	0.8
181.98708	0.4
182.00182	0.9
182.97350	0.7
183.96558	0.6
183.98161	12.2
184.07339	2.8
184.94516	0.4
185.02562	0.8
185.99556	1.1
187.11121	2.1
188.03578	0.4
191.96135	0.6
191.98587	1.4
192.99481	2.1
194.00273	3.0
194.96645	1.4
195.94476	0.4
195.98167	1.9
196.01807	2.8
196.98981	4.9
197.00862	0.7
197.07193	0.7
197.99725	0.6
199.97688	1.8
199.99246	0.3
201.97351	0.4
201.99210	6.7
202.04399	0.6
203.03638	0.7
206.97356	0.6
206.99541	0.6
207.98248	1.9
208.01726	1.1
208.98972	2.0
209.99696	1.1
211.00475	0.6
211.97699	0.6
212.94043	0.5
212.97720	2.1
213.98669	0.4
214.95541	0.6
214.99980	0.8
216.02347	0.4
220.00307	0.6
220.98938	1.4
221.99655	1.0
223.97534	0.3
224.98441	0.7
225.00545	0.7
225.99237	2.3
229.03081	2.1
229.90897	0.4
230.03882	5.6
232.05473	1.7
234.03307	1.4
234.06912	1.6
235.97569	0.5
236.97876	0.6
239.00079	1.8
240.00648	0.4
240.97050	0.4
242.05878	2.2
244.03819	0.5
246.06825	0.5
248.01105	0.5
248.04988	0.6
249.02138	2.5
250.06465	1.0
252.08441	0.4
260.04910	16.0
262.02789	1.1
263.03177	0.5
264.04391	1.1
264.07980	3.2
265.07928	0.4
266.02393	0.4
267.03156	1.0
274.02914	0.6
275.99979	0.4
276.04129	0.4
277.04904	0.4
278.05991	11.1
281.03885	31.4
282.03940	1.6
287.09555	0.5
292.03891	1.3
296.07007	3.4
297.03372	2.0
299.04938	4.8
308.04865	1.1
313.02805	0.6
319.08698	0.8
322.06503	4.3
324.67218	0.3
330.21268	0.5
362.07135	100.0
363.07419	5.5
364.05060	0.4
380.08203	43.2
381.08408	2.4
387.12280	1.3
403.04636	0.7
403.09796	10.2
404.08994	1.2
422.09274	2.4
422.17270	0.4
422.25543	0.3
422.30289	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.9942
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	35.7
59.32855	10.9
60.04517	16.1
69.03423	14.7
70.04676	11.4
71.57028	19.6
76.93148	11.5
83.62440	13.9
84.08126	10.4
97.02877	47.3
98.97582	19.9
116.98621	38.5
119.01908	56.9
131.01892	29.1
132.04024	12.0
134.99687	58.7
137.02977	21.3
138.05560	20.8
138.13309	12.5
153.00716	30.2
177.00969	51.1
219.02068	59.0
220.02167	15.1
235.00072	23.2
259.00021	27.8
261.03064	97.0
262.03290	19.1
263.02759	16.9
272.98926	23.5
277.01025	49.3
277.44672	12.0
278.01248	17.3
282.99994	35.4
290.95782	13.5
301.01074	100.0
302.01056	15.2
314.95746	18.7
335.44775	12.7
354.93671	21.4
356.96399	14.7
357.96857	15.7
359.96344	23.4
372.94870	13.9
394.91321	51.1
396.94785	14.9
398.98013	74.5
412.92520	23.9
417.93036	29.8
434.89612	13.5
440.19681	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08996	1.7
55.01859	2.4
55.05507	11.5
57.03429	11.6
57.07076	37.4
60.69090	1.6
67.05506	15.8
69.07076	11.9
69.44450	7.5
69.44884	8.1
71.04980	1.8
79.05495	11.7
81.07059	24.1
83.04992	3.8
83.08617	3.8
85.06541	18.5
91.05476	7.5
93.07049	12.8
95.08604	18.3
97.06540	5.2
97.10168	2.2
98.21537	1.7
103.95842	1.9
105.07026	8.3
107.08579	19.2
109.06525	17.4
109.10162	7.5
111.04446	3.2
111.08051	2.3
112.05234	1.9
119.08598	9.8
121.06514	1.7
121.10152	7.0
123.08048	14.6
123.11710	1.9
131.08568	1.8
133.10141	7.1
135.08047	18.0
135.11673	5.7
137.05972	25.6
139.07520	3.5
145.10139	2.7
147.11693	5.0
149.09628	3.5
149.13318	5.0
149.67686	2.1
151.07541	5.2
151.11182	4.2
153.12714	3.0
157.10107	2.6
159.11699	2.3
161.09576	3.9
161.13295	3.3
163.11108	2.6
165.09163	1.6
165.12793	11.0
171.11682	2.1
173.13266	2.3
177.12712	7.3
179.14333	4.8
185.97827	1.8
191.14287	3.0
193.12334	2.9
207.13831	10.7
233.19199	2.0
263.20065	6.7
305.24887	2.7
319.26181	13.8
329.24722	5.3
337.27304	4.1
347.25812	100.0
348.25986	2.3
365.26865	20.5
393.29947	14.2
403.28436	4.9
421.24411	2.6
421.29532	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.01868	3.2
55.05510	5.6
57.03426	1.9
57.07066	2.9
57.82664	0.8
65.03927	1.6
67.05496	8.9
69.03422	1.3
69.07066	10.1
70.06580	1.6
71.04990	2.0
71.08620	1.2
71.59467	1.3
78.07855	0.7
79.05486	8.3
81.07059	12.5
83.04962	2.7
83.08614	4.0
85.06547	1.0
88.07610	1.5
91.05476	8.7
93.07038	9.3
95.04964	1.9
95.08604	9.9
97.06535	4.2
97.10157	1.6
102.09181	1.0
105.07021	8.0
107.08588	9.5
109.06514	8.3
109.10122	4.3
111.08089	1.4
115.05467	0.8
117.07024	1.3
119.08583	8.4
121.06525	1.5
121.10133	4.6
123.08079	6.6
123.11692	2.0
129.07079	1.7
131.08601	3.6
133.06418	1.1
133.10115	5.3
133.10938	0.8
135.08049	90.2
135.11676	4.4
137.09607	1.8
137.13240	1.7
143.08560	2.9
144.09308	0.9
145.06523	0.7
145.10101	4.7
147.07999	2.1
147.11673	3.5
148.08830	1.7
149.02338	5.8
149.09621	7.9
149.13231	1.5
151.07516	1.3
155.08516	1.7
157.10110	4.4
159.08093	1.3
159.11700	2.8
161.09595	8.7
163.11166	1.6
169.10062	1.6
171.11679	3.0
173.09621	1.2
173.13292	2.0
175.11214	2.7
175.14853	1.2
177.12752	23.5
179.14317	2.3
181.32442	0.7
183.11823	1.7
185.13275	2.0
187.14897	1.2
189.12749	2.0
191.14307	3.2
193.05005	7.2
195.11606	1.2
196.12311	0.8
197.13206	0.8
201.12866	0.9
203.14336	2.8
205.15921	2.2
207.11809	0.8
209.13174	1.5
211.14796	2.5
213.16391	0.8
220.26280	0.7
221.13306	1.1
223.14844	1.7
235.14928	1.2
237.16501	1.0
239.14293	0.9
256.26309	4.6
261.18655	0.8
263.20068	5.4
265.15839	1.3
301.25204	2.1
311.23672	1.1
319.26205	0.9
329.24783	23.3
337.21805	1.0
347.25839	9.2
365.23010	1.6
385.28558	1.1
403.29843	6.3
421.29535	100.0
422.29236	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	421.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.01865	6.7
55.05510	16.6
56.05047	1.4
57.03442	11.3
57.06816	2.2
57.07075	26.3
60.04522	1.7
64.12795	1.2
65.03939	2.1
67.05503	31.3
69.03419	2.6
69.07066	33.0
70.04076	20.9
71.04995	3.1
71.08626	4.6
71.59869	1.5
71.60219	1.7
79.05490	21.5
81.03416	2.5
81.07056	36.2
83.04968	6.9
83.08616	8.9
85.02901	4.1
85.06538	10.8
91.05472	18.2
93.07038	26.7
95.04974	8.0
95.08600	26.8
97.06519	10.0
97.10166	3.1
98.98475	1.6
99.08126	1.5
105.07025	13.6
107.04980	5.6
107.08595	24.5
108.05304	1.6
109.06512	18.0
109.10153	14.7
111.04458	5.7
111.08097	6.5
113.00040	2.3
117.07038	3.4
119.08588	11.1
121.06508	4.0
121.10144	10.1
123.08079	14.5
123.11694	3.2
125.05972	6.6
125.09692	3.1
128.06256	2.1
129.07028	3.7
131.08588	6.0
133.06459	2.4
133.10170	11.3
135.08051	58.5
135.11661	10.4
136.07796	1.3
136.08734	6.3
137.05968	19.7
137.09619	4.9
137.13319	1.9
139.07529	3.2
143.08563	3.5
145.10153	6.4
146.07216	1.8
147.07951	1.6
147.11699	6.7
149.09607	7.3
149.13309	3.9
150.06631	5.0
151.07571	7.0
151.11215	3.0
152.08293	1.4
153.12794	3.8
157.10130	3.0
159.11760	5.3
161.09625	7.9
161.13234	3.1
163.11209	4.1
164.08139	1.8
165.09003	11.0
165.12759	8.1
166.09378	1.8
167.14420	1.9
169.02675	1.7
169.10361	2.3
171.11755	3.2
173.13358	2.7
175.11162	3.1
175.14809	2.0
177.12749	18.3
178.31850	1.3
179.14368	3.1
181.12286	4.4
182.16507	2.7
184.07445	1.8
189.12772	2.7
191.14293	2.8
193.12296	5.9
195.11855	1.8
205.15996	2.6
207.11748	2.0
207.13838	5.8
221.19104	2.5
231.17471	2.3
233.19000	2.5
233.78452	1.5
235.20590	2.7
249.18668	1.6
259.20724	1.6
263.20169	6.2
276.07446	1.3
285.24377	1.4
291.19614	2.0
292.08572	2.1
293.08493	1.9
294.08353	1.9
301.25357	2.7
305.24738	44.3
309.24316	2.1
311.20279	2.7
319.26291	19.4
329.21115	10.1
329.24878	14.3
337.27463	5.1
339.19159	3.7
347.25797	97.8
348.26047	2.6
365.26855	17.0
393.29889	9.3
403.28937	7.7
421.25061	5.3
421.29599	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01874	4.6
55.05507	10.9
57.03436	9.8
57.07072	35.5
67.05503	14.8
69.03418	1.2
69.07066	13.1
69.34191	8.8
70.04062	1.0
70.07374	1.1
71.04987	1.5
71.08624	1.1
77.96449	0.9
79.05489	11.8
81.07053	26.6
83.04975	4.6
83.08595	5.3
85.06058	1.3
85.06537	15.8
91.05473	8.6
93.07030	13.5
95.04977	5.2
95.08601	18.3
97.06533	3.9
97.10176	1.5
104.01062	0.8
105.07026	8.5
107.04967	2.8
107.08595	13.8
109.06512	16.9
109.10153	8.9
111.04461	4.0
111.08067	3.5
113.56487	0.9
115.07571	1.0
117.06994	1.8
119.08572	9.1
121.06519	1.2
121.10136	7.6
123.08043	10.4
123.11685	2.4
125.05971	3.2
125.09616	1.5
129.07011	1.5
131.08571	2.6
133.10098	4.9
135.08035	18.3
135.11696	6.2
137.05971	24.6
137.09618	2.3
137.13248	2.1
138.06680	1.1
139.07544	3.7
143.08553	1.9
145.10121	4.6
147.08084	1.8
147.11702	3.4
149.09619	4.8
149.13240	2.5
151.07562	7.3
151.11192	2.9
153.12772	2.1
157.10120	1.3
159.11682	3.1
161.09631	3.0
161.13255	2.9
163.11183	1.3
163.14833	1.4
165.09093	1.7
165.12743	9.7
167.14305	1.1
171.11711	1.4
173.13268	1.2
175.11200	2.8
175.14838	1.5
177.09200	1.2
177.12738	6.3
179.14302	4.4
182.16542	0.9
189.12720	1.7
191.14363	2.7
193.12294	2.8
197.07240	0.9
203.14415	1.5
203.17935	1.4
207.13832	9.6
231.17517	1.1
233.19037	2.8
249.18517	1.0
263.19995	4.7
277.17990	1.9
291.19583	1.3
301.25449	1.0
305.24814	1.7
316.28452	1.1
319.26279	13.5
329.21246	1.7
329.24829	3.0
337.27359	5.6
347.25775	100.0
348.26212	2.2
354.39557	0.9
365.26810	22.1
393.29959	12.2
403.28583	2.6
404.01776	1.0
421.29514	60.5
422.16455	1.4
422.29999	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84056	1.6
53.03942	2.7
55.01867	7.5
55.05508	25.0
57.03431	13.6
57.07071	15.9
59.05027	1.8
61.63557	1.8
67.05164	3.3
67.05501	40.0
69.03455	1.8
69.06714	3.2
69.07066	46.2
70.04055	2.6
71.04982	5.1
71.08612	4.3
71.30367	1.5
71.59608	2.7
79.05482	25.7
81.07053	47.0
81.40030	1.6
83.04977	7.7
83.08598	8.8
85.06527	10.1
86.09673	2.0
91.05465	20.9
93.07036	39.4
95.04958	13.6
95.08601	34.8
97.06535	12.5
97.10177	5.2
99.08100	2.1
105.07021	19.3
107.04954	4.8
107.08593	36.1
107.09293	2.8
109.06509	22.4
109.10156	16.7
111.04427	8.7
111.08087	8.0
115.07603	1.9
117.07071	3.1
119.08564	18.6
121.06511	5.3
121.10149	14.3
123.08067	16.0
123.11704	4.4
125.06006	8.2
125.09644	3.0
129.06979	3.4
131.08556	8.9
133.10075	13.2
135.08049	38.8
135.11691	18.1
137.05980	21.2
137.09604	5.1
137.13257	2.4
139.07480	2.3
143.08527	3.5
145.10103	11.0
147.08049	3.9
147.11679	8.4
149.09644	9.2
149.13287	5.2
151.07562	7.2
151.11220	3.6
153.12750	7.2
157.10165	5.5
159.11700	5.8
161.09648	7.6
161.13289	4.3
163.11205	5.5
163.14848	2.7
165.09135	1.8
165.12790	5.2
167.14336	3.6
171.11725	2.2
173.13243	3.3
175.11232	4.5
177.12755	12.0
177.16510	1.6
179.10767	1.8
179.14362	5.7
181.12219	10.1
184.07408	4.7
187.11223	2.6
187.14854	2.4
189.11215	2.7
191.14305	3.6
193.12251	4.0
203.10814	2.1
203.14365	2.3
207.13779	1.9
214.78362	2.0
217.14359	4.0
219.17566	2.4
221.19060	5.1
235.20657	6.2
249.14967	2.3
249.18594	3.5
263.20102	7.0
280.01324	1.7
287.23715	2.0
291.19626	2.2
301.25348	2.2
303.19766	2.4
305.24713	90.8
306.25272	2.7
319.26321	32.5
329.21146	12.1
329.24844	9.4
347.25793	100.0
348.26050	4.5
365.26761	11.0
393.30011	9.4
403.24698	6.4
403.29062	3.7
421.29645	61.7
422.29462	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	421.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96597	4.6
53.03934	15.0
55.01868	12.2
55.05507	37.6
56.96560	5.9
57.03427	17.6
57.07064	13.5
65.44433	4.8
67.05501	71.9
69.03409	25.3
69.07064	36.2
69.59065	11.4
69.59489	26.3
71.04977	8.7
71.33991	4.5
71.43820	4.4
73.02912	5.5
79.05493	77.6
81.03394	18.7
81.07055	84.3
81.82884	4.8
83.04977	10.6
83.08600	20.4
85.02885	14.8
85.06525	7.1
86.09724	5.3
91.05473	90.7
93.07045	82.2
95.04961	20.9
95.08609	75.4
97.02895	100.0
97.06524	10.9
97.10176	9.0
99.04437	20.7
103.05459	8.7
105.07033	83.2
107.04960	11.3
107.08592	60.1
109.02839	6.8
109.06506	18.8
109.10149	21.0
111.04443	6.0
117.07021	34.6
118.13976	4.5
119.08578	74.3
121.06474	5.4
121.10146	30.4
123.08073	11.9
123.11729	8.0
127.03896	13.8
128.06204	7.4
129.06963	19.6
131.08566	48.6
133.06467	9.9
133.10121	58.8
135.08029	13.3
135.11670	23.4
137.05962	7.0
137.09653	5.6
137.13243	7.6
141.06995	8.3
143.08548	22.0
145.04993	5.6
145.06525	8.1
145.10109	43.9
147.08037	11.0
147.11705	44.8
149.13258	11.7
151.11200	8.1
155.08543	16.6
157.10149	23.0
159.08076	10.2
159.11691	33.9
161.09647	9.2
161.13228	18.6
161.59598	4.7
163.07472	5.5
169.10109	13.9
171.08018	7.2
171.11676	25.3
173.09584	7.7
173.13327	18.8
175.14836	7.2
181.10182	9.5
183.11699	14.5
185.09656	5.1
185.13217	17.3
187.11223	5.6
187.14870	7.6
195.11691	15.3
197.13182	5.4
199.14844	11.8
203.14406	6.1
207.11705	7.1
209.13228	9.0
211.14822	6.4
213.12808	8.3
213.16496	8.0
231.21103	8.4
237.16331	5.6
239.14279	6.1
241.19565	10.7
257.19034	9.2
259.20627	54.5
275.19977	5.9
277.21701	7.2
297.21906	6.4
301.21835	8.2
305.24695	9.4
313.21539	10.3
339.23209	10.1
343.22488	7.6
347.25989	22.9
349.21442	7.0
357.23996	5.3
365.26913	7.4
367.22623	14.3
385.23636	16.2
403.24609	26.6
403.29514	10.6
421.25873	41.7
421.30478	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03899	0.9
55.01860	1.4
55.05456	3.9
56.96526	0.8
57.03377	0.9
61.02885	0.5
65.03916	0.3
67.05505	4.7
69.03369	1.0
69.07063	1.4
70.06525	1.2
71.04945	0.5
71.59610	0.5
72.08117	0.7
79.05485	4.1
81.03410	4.3
81.07055	4.5
83.04922	0.9
83.08615	1.9
84.08086	0.7
84.55933	0.3
85.02832	0.9
85.06487	0.4
86.09644	0.5
87.04398	1.0
91.03903	0.4
91.05470	3.7
93.07045	2.5
95.04961	4.1
95.05946	0.3
95.08595	2.5
97.02825	0.8
97.06469	0.9
97.10168	3.1
105.03316	0.5
105.07020	2.9
107.04944	10.4
107.08584	1.9
108.05196	0.6
109.02872	4.5
109.06454	1.0
109.10157	1.8
111.08052	0.5
115.05390	0.5
116.10686	0.6
117.06966	1.5
119.04875	0.4
119.08591	1.9
120.08060	0.3
120.39072	0.3
121.02801	0.4
121.06500	3.0
121.10067	0.9
123.04358	1.2
123.08015	0.7
125.09607	1.7
127.03847	1.2
129.07059	1.4
129.92178	0.3
130.03700	0.3
131.04860	0.9
131.08586	2.0
133.02739	0.4
133.06389	0.6
133.10060	0.8
135.07999	0.8
135.11662	0.6
137.02336	17.8
137.03374	1.5
137.05975	1.5
138.02609	0.7
141.06908	1.1
143.04831	0.6
143.08492	0.9
145.06410	1.0
145.10054	0.8
147.04399	0.5
147.07967	1.0
147.11591	0.7
148.07535	0.5
149.02280	0.4
149.05971	0.5
149.09579	0.7
151.03802	0.5
153.06966	0.5
153.09035	0.7
156.03642	0.4
156.91489	0.3
157.06418	0.6
157.10013	1.1
159.08003	0.6
159.11606	0.9
161.05945	0.3
161.09515	0.8
163.03813	0.6
163.11154	0.6
169.06424	1.2
169.10027	0.5
171.04329	1.0
171.11606	0.6
173.09570	0.5
175.11110	0.7
177.01839	3.0
177.12683	0.6
181.06500	0.3
181.10094	0.5
185.05977	0.8
185.13234	0.3
189.09079	0.5
189.11183	1.4
189.12744	0.5
193.12201	0.6
195.01096	0.6
195.02884	12.6
196.03206	0.7
197.06042	1.8
199.03891	1.4
199.11087	0.4
203.10580	0.4
203.14267	0.3
210.14847	0.5
211.13213	0.6
213.12735	0.5
215.07025	0.3
215.14262	0.6
217.04921	1.2
217.07248	0.4
217.12180	0.3
223.13232	0.4
225.05461	2.5
225.12830	0.4
229.07449	1.6
233.15340	0.8
235.13190	0.8
237.02634	0.3
237.12654	0.5
241.14275	0.7
247.08638	1.5
249.14893	0.4
253.05014	3.0
271.06000	0.6
273.04102	0.3
273.14853	1.1
275.16284	0.4
280.11819	0.6
281.04388	0.6
291.15860	0.6
301.12930	0.4
309.03925	0.3
311.20029	0.6
316.05911	0.4
327.04968	100.0
328.05313	11.5
328.09286	0.5
329.21100	2.9
347.22238	0.4
349.21692	1.5
367.22702	4.0
385.23694	6.9
403.24747	4.0
421.09180	13.2
421.20337	1.0
421.25632	2.1
422.09387	2.5
422.14771	0.4
422.16449	0.3
422.29434	0.4
435.68442	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.05501	2.5
56.96580	0.6
57.07072	1.4
57.95822	0.5
59.15796	0.6
64.43195	0.6
67.05489	2.3
67.12656	0.6
69.03423	0.7
69.07050	1.8
70.06588	1.8
71.04990	0.5
71.20648	1.2
72.08134	0.8
79.05487	1.7
81.03395	1.0
81.07057	4.7
83.08614	1.2
84.08141	1.2
85.02975	0.6
85.76190	0.5
86.52094	0.6
89.48277	0.5
91.05450	1.9
93.07041	2.0
93.63997	0.6
95.04977	1.1
95.08614	4.5
105.07050	3.1
107.04931	1.7
107.08598	2.1
108.08093	0.7
109.10147	1.8
117.07030	0.7
119.08566	2.7
121.10169	1.4
125.09654	0.6
129.06979	1.0
131.08594	1.7
133.10130	1.7
135.08061	0.9
135.11638	0.7
137.13231	1.1
141.07082	0.8
143.08575	1.3
145.10153	1.6
147.11708	1.2
149.09557	0.8
149.13214	0.6
155.08563	1.1
157.10118	1.3
159.08081	0.9
159.11676	0.8
169.72063	0.5
171.11687	1.0
173.09750	0.9
173.13338	0.8
183.11739	1.0
185.09660	0.8
195.08031	0.5
197.13220	0.8
219.11600	0.7
223.73154	0.6
235.11079	0.7
243.85840	0.6
249.16429	0.6
267.17529	0.6
283.17087	0.7
285.07593	0.9
297.13092	26.9
298.13431	0.9
323.19995	0.7
335.18286	14.8
347.12799	0.6
349.16354	0.6
403.29877	1.5
421.21973	100.0
421.30154	6.7
422.22418	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	421.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.5
56.96561	1.5
67.05495	1.6
69.03385	0.7
69.07066	0.8
70.06567	1.6
70.84290	1.0
70.84609	1.0
74.04500	0.6
79.05489	1.5
81.03423	0.7
81.07050	2.5
83.08606	1.0
84.08136	1.8
86.09721	0.8
86.92996	0.6
91.05476	1.5
93.07023	2.6
95.08582	1.3
105.06999	0.9
107.04929	1.9
107.08582	1.4
109.06564	0.8
109.10165	0.7
117.07044	1.0
119.08536	0.8
129.07028	1.1
131.08577	1.4
133.10117	1.3
143.08556	1.3
143.60655	0.6
145.10077	0.7
155.80478	0.7
329.14392	1.3
329.21069	1.0
333.03333	0.8
335.18307	25.9
336.18472	0.8
347.15265	2.7
349.16443	0.8
365.15845	0.8
391.01379	0.9
421.21970	100.0
421.31210	2.8
422.22122	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	421.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.7
55.05505	1.7
56.96566	0.6
57.03448	0.6
57.07070	1.3
66.24781	0.5
67.05489	2.4
69.03389	0.7
69.07056	2.0
70.06585	1.8
70.99197	0.5
71.59435	0.6
79.05470	2.0
81.03427	0.6
81.07049	3.0
83.08607	1.5
84.08143	1.3
91.05485	2.3
93.07059	2.7
95.04990	1.0
95.08610	3.1
97.06519	0.8
97.10160	0.5
98.09656	0.5
105.07041	3.4
106.66826	0.5
107.04942	1.5
107.08598	2.5
109.06503	0.7
109.10161	1.7
111.08022	0.5
114.55757	0.6
117.06991	1.2
117.61656	0.5
117.95593	0.5
119.08595	2.1
121.06553	0.7
121.10136	1.8
123.11682	0.8
129.07001	0.6
131.08589	1.3
133.10172	1.5
135.08084	0.6
135.11705	1.4
137.09552	0.6
137.13162	0.6
143.08571	0.7
145.10146	1.8
145.92075	0.5
147.07947	0.5
155.08508	0.7
157.10127	1.5
159.08110	0.7
159.11761	0.7
169.10138	1.5
171.11722	0.9
173.09601	0.8
173.13321	0.7
179.14064	0.5
183.11646	0.9
185.13277	1.1
189.16422	0.7
195.11575	0.8
197.13261	1.1
209.13225	0.8
210.66194	0.5
211.11072	0.7
219.11778	0.6
221.13264	0.8
223.14876	0.7
233.13271	0.6
249.12633	0.6
259.17133	0.6
263.14426	0.9
265.16101	0.5
275.57053	0.6
279.14389	0.8
323.20227	0.6
335.18286	29.7
375.81689	0.6
403.29770	1.4
421.21994	100.0
421.30182	7.0
422.22330	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	420.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	15.6
55.05498	30.4
56.96542	15.6
57.03419	14.6
65.24503	11.4
67.05489	42.4
69.03426	63.7
69.07056	22.7
69.32962	99.8
70.03764	11.9
70.06582	35.8
72.08190	10.8
77.87798	10.3
79.05492	31.6
81.03404	15.9
81.07047	66.4
83.08646	19.9
84.08141	24.1
86.09704	30.7
91.05477	47.8
93.07021	35.2
95.04984	18.1
95.08617	16.8
97.10145	11.7
104.10729	35.6
105.07010	35.9
105.34840	9.8
107.04964	53.8
107.08555	24.5
109.10133	12.6
117.39642	10.4
120.08076	10.7
121.02853	13.7
121.06525	9.6
125.00019	20.3
127.03923	16.1
129.10207	11.2
131.04944	26.8
131.08565	19.1
132.08958	11.6
133.06462	20.9
133.10173	17.5
135.11711	9.6
136.06157	13.4
145.06410	11.6
159.08014	19.2
167.84155	11.1
183.34215	9.8
184.07361	42.4
250.09299	11.9
269.17459	20.4
346.90085	11.3
359.38013	12.1
420.24811	14.1
421.21915	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	15.6
55.05511	19.3
56.96564	12.2
67.05499	23.9
70.06577	38.8
71.58698	19.3
73.83301	11.3
74.94737	11.0
78.86501	13.4
79.05486	28.0
80.82674	10.9
81.07050	26.2
84.08154	19.0
86.09699	28.5
91.05494	22.8
93.07049	13.9
95.04957	13.0
95.08601	16.2
100.11266	13.2
104.10755	32.0
105.07041	23.8
107.04955	100.0
107.08608	13.3
108.05276	11.8
111.92402	10.9
119.08553	16.7
121.06483	24.5
124.99998	14.5
127.32535	11.1
129.10222	14.5
131.08586	13.7
133.06506	13.1
146.32851	11.6
184.07349	81.9
200.84854	11.9
286.93735	11.2
420.23282	17.9
421.21890	79.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.01876	0.9
55.05511	1.6
57.03439	1.3
57.07069	2.6
62.85028	0.6
67.05500	6.9
69.03108	0.6
69.03433	3.3
69.07056	4.6
70.06587	0.8
71.04995	1.1
71.59769	0.9
71.60449	0.7
72.08152	0.6
73.02914	0.8
79.05485	10.4
81.03434	3.0
81.07053	100.0
82.07391	0.9
83.08585	0.8
85.02900	8.0
87.00823	3.1
91.05488	2.0
93.07029	3.1
94.69498	0.6
95.04977	2.8
95.06076	0.9
95.08600	18.3
97.02897	5.9
97.06519	0.7
97.10155	0.7
98.97544	0.8
99.04440	1.6
105.01864	5.1
105.07059	1.4
107.04952	6.9
107.08584	2.1
109.02850	1.7
109.10174	2.2
109.24892	0.6
116.98612	0.6
119.08608	1.5
121.06499	3.7
121.10167	0.7
124.75208	0.6
127.03912	6.6
131.08554	1.2
133.10159	1.1
134.01868	2.2
137.13246	20.7
138.09142	1.1
144.94913	0.6
145.04956	6.0
159.02921	1.5
160.05104	1.0
168.98737	2.3
231.05045	2.1
249.06082	1.1
260.00803	0.6
288.02423	5.3
329.21170	2.0
334.02985	13.5
335.03430	1.6
385.18628	0.7
388.58539	0.8
393.09518	0.8
402.26334	2.2
403.24841	0.9
420.07013	3.5
420.27625	4.4
421.09149	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.05518	2.8
57.07062	1.5
67.05483	3.1
69.07062	2.2
70.06574	5.0
71.59153	1.3
71.59568	2.2
79.05494	8.8
81.07059	100.0
84.08137	1.4
85.02896	3.5
86.09667	1.8
91.05494	2.3
93.07013	2.3
95.04937	1.5
95.08607	11.7
105.01931	1.8
105.07017	1.9
107.04958	3.8
109.02836	1.7
109.10114	1.7
113.40706	1.3
127.03905	2.6
133.10042	1.7
137.13261	16.9
145.04947	2.2
172.26901	1.3
220.10541	1.8
245.22267	1.5
248.27184	1.2
347.12805	2.2
420.29639	3.0
421.31638	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
55.01852	1.0
55.05499	1.6
57.03426	0.8
57.07066	1.7
65.03896	0.5
67.05505	6.4
69.03442	3.0
69.07061	4.2
69.36985	0.6
69.74718	3.1
71.04990	0.8
73.02919	1.1
76.64600	0.5
76.68747	0.5
79.05483	7.7
81.03406	2.2
81.07050	100.0
82.07386	0.6
85.02902	8.0
87.00806	3.2
87.19672	0.5
91.03944	0.6
91.05493	1.3
93.07036	1.6
95.04958	1.1
95.08605	18.6
97.02883	4.9
98.20594	0.5
99.04460	1.5
105.01853	6.6
105.07032	0.8
107.04950	3.7
108.04453	0.6
109.02870	2.4
109.10156	1.3
114.51330	0.6
121.06497	2.5
127.03899	8.6
137.13249	20.6
145.04967	4.7
159.02924	1.6
160.97620	0.6
185.39369	0.6
208.13377	1.2
231.05011	2.6
249.06044	1.2
266.44910	0.7
290.04681	0.7
301.34427	0.6
363.71228	0.6
389.41168	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97442	2.7
55.01866	7.5
55.05506	3.9
56.05007	3.9
57.03450	15.0
60.04518	5.2
61.02909	12.3
69.03428	27.9
70.06594	46.8
70.82924	3.9
70.83256	5.7
71.01357	5.4
72.08155	15.7
73.02917	66.7
80.82609	2.7
81.03398	9.6
84.04492	7.5
84.08139	15.5
85.02425	5.5
85.02905	70.1
86.09713	17.4
87.04480	5.4
87.45708	2.8
91.05477	100.0
93.06985	3.5
97.02887	55.1
99.04436	3.2
105.07034	3.4
106.24682	3.1
107.04955	16.1
109.02877	4.6
110.07196	8.1
115.03922	26.4
116.07146	3.1
117.07014	5.2
120.08105	5.5
127.03928	19.6
129.10226	6.9
130.04968	3.7
130.06499	4.3
130.08636	5.6
133.04977	25.2
133.06479	12.3
143.33244	3.3
145.04971	25.4
145.06433	8.0
157.06424	6.6
160.45389	3.2
163.06015	11.3
172.25426	3.4
205.08745	3.1
223.06068	6.1
241.07140	5.8
242.83516	3.1
259.08185	9.8
266.17603	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	420.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
54.27480	0.2
70.60419	0.6
70.60770	0.2
75.03889	0.1
77.03915	0.2
79.05508	0.8
95.04974	1.4
98.09143	0.2
107.04947	100.0
108.05281	1.5
157.02954	0.2
268.82587	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	420.186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.2
53.03939	0.6
69.56932	1.0
69.57355	0.7
78.48103	0.3
79.05474	1.1
92.35281	0.2
93.08138	0.2
95.04964	1.3
98.21614	0.2
107.04948	100.0
108.05284	2.1
115.83180	0.2
126.07037	0.2
128.20490	0.2
152.44318	0.2
201.19911	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10069	1.4
53.03949	9.4
55.01871	10.9
55.05512	3.0
56.96556	1.7
57.03435	10.1
60.04514	3.4
61.02916	6.7
67.05495	6.8
68.99786	3.7
69.03088	2.5
69.03428	35.5
69.45277	5.9
69.45705	7.4
70.06586	3.2
71.04986	5.9
73.02914	12.2
79.05491	2.3
80.78781	1.6
81.03419	42.0
81.07047	4.5
85.02904	100.0
87.00832	46.2
87.04459	2.6
91.03970	1.9
91.05474	3.1
91.65470	1.8
93.07011	1.7
95.04957	2.2
95.08571	2.5
97.02294	3.0
97.02892	51.0
98.06028	2.3
99.04454	25.6
105.01868	55.1
105.07033	3.1
107.04941	3.4
108.04483	17.3
109.02882	37.4
109.10152	24.6
117.01851	6.6
121.10113	1.9
126.05523	9.5
127.03916	82.8
129.01811	6.2
137.09599	2.8
145.04956	34.8
147.02881	2.1
155.10643	18.0
159.02895	24.5
189.03954	2.3
213.03877	2.6
230.06613	4.8
231.04996	14.6
248.07646	6.4
249.06015	1.6
258.36679	1.5
266.08777	1.8
323.05951	1.7
331.06702	1.5
421.22021	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	420.1683
Annotation	glandicoline B
Peak:m/z	Relative Intensity
51.02374	0.7
55.05501	3.4
55.87618	0.6
56.96579	0.9
57.07075	26.7
58.07398	0.8
65.03945	0.9
65.57443	0.7
67.05495	4.4
69.07066	100.0
69.72791	4.6
70.04077	2.0
70.07447	1.3
70.07840	6.1
70.82543	0.6
79.05482	1.8
81.07060	3.5
83.08640	1.1
84.05637	1.3
85.02885	1.0
89.03950	0.9
91.05495	3.2
95.04973	2.0
95.08586	0.7
97.02898	0.7
99.00013	4.0
100.99728	0.9
105.07038	1.4
107.04953	11.7
107.08598	1.2
109.06491	1.3
109.10162	0.7
110.03564	1.0
111.04486	1.2
113.01550	1.9
115.07562	8.9
116.38174	0.6
119.08566	1.0
121.06517	1.3
125.01541	19.3
126.01909	1.0
126.99493	7.5
127.01237	19.3
127.03844	1.4
127.07564	0.7
128.99171	1.8
129.01024	14.9
131.00766	2.2
139.00540	0.8
141.01027	16.3
141.05324	5.3
143.00731	3.9
155.02592	7.6
157.02312	1.7
158.97623	8.0
161.09637	1.3
192.93732	4.8
194.04794	0.8
196.10808	1.6
197.07281	35.0
198.07574	0.8
199.06967	6.1
207.05511	0.9
209.05333	1.0
212.10362	1.4
225.11331	0.8
234.04379	1.1
236.04144	0.7
236.10277	3.9
239.04581	1.8
241.04256	1.3
252.16435	0.7
291.11475	1.4
293.11060	1.2
293.17242	4.5
294.10089	2.9
314.14377	2.0
394.18549	0.7
402.26279	0.7
419.94241	1.8
420.10696	30.3
420.16953	65.9
421.10867	2.2
421.17349	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.9
56.05023	1.9
57.42925	0.6
60.04509	3.1
67.05519	0.7
67.23955	0.7
69.03431	0.9
69.07040	1.2
70.06592	29.7
71.06956	1.0
71.37046	1.1
72.08160	4.9
73.43504	0.7
74.06080	1.8
76.02194	0.7
79.05477	1.3
82.09489	0.6
83.06111	1.4
84.04504	7.3
84.08144	10.9
85.02930	1.0
86.09706	7.8
87.05547	0.9
87.10028	1.1
88.03990	1.3
91.05473	2.0
95.04970	2.9
95.06126	0.7
98.06021	1.2
101.07171	1.0
102.05595	0.8
103.05505	0.8
105.07016	3.3
107.04955	100.0
108.05293	1.1
109.15594	0.8
110.07172	6.1
113.07070	1.1
114.05505	1.0
115.08688	1.2
116.07180	0.9
117.07069	1.0
120.08128	1.4
121.02828	0.8
121.06541	1.1
122.02760	1.2
123.04428	2.6
127.08688	1.0
129.06953	0.9
129.10246	6.2
130.05011	2.2
130.06534	1.1
130.08662	0.8
131.04945	2.0
133.06490	10.9
136.07565	2.0
138.78545	0.8
145.06497	3.7
147.08009	2.1
149.05991	1.9
157.06517	3.0
159.08076	3.9
171.08035	1.0
175.07550	1.3
176.59549	0.9
181.06433	1.2
185.09422	0.7
187.10870	1.3
194.07350	1.0
202.07684	0.8
209.09528	1.4
221.09702	0.9
235.11172	0.8
236.08524	0.8
251.10695	1.1
263.10663	1.2
270.90155	0.8
281.11774	1.3
401.40088	0.7
421.17426	0.7
434.02603	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94018	1.7
53.03941	2.0
53.99466	1.6
55.01882	3.0
55.05494	4.9
56.05028	7.4
58.62336	1.6
60.04519	5.1
68.05018	2.0
69.03416	2.3
69.07067	2.9
69.49612	15.3
70.06593	64.9
71.04987	2.5
71.06911	2.6
71.66726	1.6
72.08158	18.5
73.02882	2.7
74.00613	1.9
74.06068	4.8
76.02216	1.9
79.05477	5.6
81.03386	3.8
81.07064	3.7
83.06087	2.9
84.04506	18.3
84.07691	2.8
84.08150	32.0
85.02900	6.0
86.09710	38.7
87.05574	2.0
87.10011	2.8
88.03988	3.8
91.05486	11.5
93.07043	2.1
95.04961	5.7
95.06071	2.6
96.08167	1.9
97.02889	3.6
98.05979	2.0
102.05535	5.2
103.05477	6.1
103.39390	1.5
104.08228	1.6
105.07024	5.0
107.04956	100.0
108.71377	1.6
110.07165	12.1
112.08714	4.4
115.05466	2.5
115.08678	3.4
116.07077	3.2
117.07021	7.9
119.04923	3.1
119.08568	2.1
120.08100	9.7
121.06538	5.4
122.02721	2.1
127.03958	2.2
128.06248	2.5
129.07036	17.5
129.10258	14.4
130.04987	4.5
131.04930	30.5
132.05727	16.9
132.08113	2.3
133.06508	11.9
136.06190	2.5
136.07585	4.4
141.10248	2.3
145.06470	23.0
147.07950	2.6
149.06018	3.0
157.06491	32.0
159.11638	1.9
163.02150	8.4
163.07535	12.5
173.24210	2.0
175.07544	18.2
175.11806	2.3
184.07353	2.5
187.07449	1.9
223.07529	2.1
245.06137	2.0
251.10664	7.6
252.06944	2.6
268.08759	1.7
269.11371	1.9
281.11679	2.6
287.03854	2.1
289.05368	8.2
378.89709	1.8
421.10974	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	419.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87397	1.2
53.03934	4.2
55.01852	3.9
55.05260	1.7
55.05508	24.0
56.96548	2.3
57.03421	3.5
57.07064	4.9
59.05007	1.9
65.03928	1.4
67.05500	36.1
69.03420	1.9
69.06714	1.7
69.07065	23.5
70.04068	1.8
70.06593	2.3
71.04982	3.7
71.17437	1.3
71.17773	2.7
73.06530	1.5
74.00658	3.6
75.65774	1.2
79.05056	2.3
79.05488	31.2
81.03404	2.6
81.07053	42.0
82.96573	1.2
83.04958	3.2
83.08612	18.5
85.06561	3.0
86.09669	1.2
89.64484	1.1
91.05477	42.9
93.07038	32.3
95.04982	8.6
95.08600	25.8
97.02900	1.5
97.06532	5.6
97.10162	4.4
98.06623	1.4
98.98470	1.1
99.08091	1.3
100.02182	14.4
103.05447	1.3
104.98182	1.1
105.04494	1.2
105.07024	33.7
107.04931	7.1
107.08575	13.3
109.06509	4.1
109.10172	7.9
110.09660	1.4
111.08058	7.8
113.04247	1.3
115.05426	3.9
115.07523	1.3
117.07007	29.9
119.08580	18.8
121.06496	4.1
121.10131	12.7
123.08064	4.9
123.11720	1.6
124.70823	1.3
125.09615	1.8
128.06206	6.7
129.07002	27.3
130.07813	2.2
131.04872	1.9
131.08560	41.7
133.06468	4.2
133.10120	10.3
135.08026	3.6
135.11674	5.3
136.99973	2.3
137.09601	1.9
139.05750	1.8
139.11171	4.5
141.06967	8.6
141.09111	1.4
142.07791	3.3
143.08557	23.2
145.06461	4.3
145.10121	15.7
147.04399	1.5
147.08060	4.6
147.11650	5.6
149.02393	1.6
149.09612	6.7
149.13255	2.4
151.11192	1.6
153.07062	2.0
154.07687	1.6
155.01036	2.0
155.08565	18.1
156.08414	84.9
157.06586	1.5
157.08698	6.0
157.10129	7.9
159.08044	3.7
159.10344	2.1
159.11652	9.8
161.09615	2.4
161.13251	2.3
161.48099	1.4
163.11185	2.4
165.06981	2.6
166.07843	2.1
167.08542	5.9
168.09189	1.4
169.10107	10.4
171.07986	3.3
171.11697	7.5
173.13260	2.4
175.09703	3.3
175.11180	2.9
177.12759	3.3
179.08499	2.6
180.09299	1.4
181.10103	10.6
181.12361	1.2
183.11705	6.8
185.13263	6.5
187.11214	2.0
191.06900	1.5
193.10112	3.7
193.12082	1.8
195.05713	1.3
195.11699	8.8
197.07256	1.4
197.13206	3.1
199.11168	2.4
199.14845	2.1
201.12779	2.3
205.12193	2.3
207.11720	4.4
209.13280	5.4
211.14812	3.3
213.12761	3.2
213.16452	1.6
215.14345	1.4
221.13322	6.3
221.15160	1.4
223.14813	9.3
225.12779	2.7
225.16409	1.5
227.14293	1.2
229.15897	1.3
233.15379	4.7
235.14821	3.9
239.14229	5.8
241.15842	4.6
243.13863	1.5
245.15388	2.0
247.16907	2.0
253.15858	3.5
257.15436	3.7
258.10318	75.5
258.99469	2.3
259.10745	7.2
271.16751	3.6
273.00940	3.5
273.12125	1.4
274.01505	1.4
275.20169	1.5
277.00504	10.4
278.01245	4.3
281.14944	1.3
283.16760	1.3
283.22690	2.2
285.18607	2.7
288.00116	1.3
291.02115	18.8
292.02777	8.8
295.01529	2.4
309.03033	2.6
310.03955	1.8
314.03915	1.8
323.23636	5.1
327.23053	1.7
333.22095	11.1
337.11746	4.3
341.24814	5.8
351.23163	18.9
355.12598	2.6
369.24246	12.7
373.13635	6.1
373.27209	1.6
383.25946	2.7
387.25287	8.2
391.14584	100.0
392.14868	4.9
396.15015	3.0
401.26926	14.1
409.15659	29.2
410.15808	2.2
414.16193	21.8
415.16599	3.1
419.27979	5.3
419.33322	1.9
432.17282	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.1
56.05013	1.3
56.96537	1.5
57.03409	1.5
58.29556	0.4
61.02903	1.2
67.05496	2.7
69.03433	2.4
69.07034	0.7
69.71161	1.3
69.71577	1.7
70.06575	1.3
72.01649	0.5
72.08148	0.6
73.02869	1.2
79.05451	2.3
81.03373	2.1
81.07060	2.4
83.04971	0.6
83.08604	0.6
84.04499	12.5
84.08099	0.7
85.02898	22.7
86.06030	1.8
87.04430	1.0
87.47792	0.4
91.03899	0.8
91.05492	2.5
93.07009	0.8
94.06509	0.6
95.01350	2.6
95.01853	0.7
95.04929	1.7
95.06035	0.6
95.08590	0.9
97.02865	1.4
98.20804	0.7
98.97549	0.9
100.89034	0.7
102.05541	7.9
105.06975	2.0
106.06540	6.3
107.04399	0.5
107.04957	5.3
107.07323	1.1
107.08582	0.7
109.02810	0.6
109.10105	2.0
112.03922	1.7
113.02327	1.4
117.05704	0.9
118.06522	8.9
119.07273	0.5
119.08566	1.1
120.08072	0.9
121.06476	1.1
121.10139	0.7
123.04407	0.8
127.03879	0.7
129.07010	0.9
130.04994	59.1
130.06544	2.1
131.00137	0.5
131.07274	6.2
131.08453	1.0
132.08063	4.1
133.06560	0.6
133.08792	0.9
134.09616	2.1
138.05296	0.5
144.08072	1.2
145.08922	0.6
145.10037	0.9
146.09616	7.8
148.11177	0.8
149.05980	0.8
149.09590	2.2
158.09586	1.0
158.99533	0.6
160.11215	11.1
161.11955	0.7
172.11157	2.1
173.11850	1.2
174.12753	2.0
177.05531	0.7
186.12798	0.7
188.14365	0.8
193.12134	1.1
195.08012	1.4
200.14314	0.6
202.15843	0.6
227.10652	0.9
229.07419	1.2
229.14404	0.7
242.15129	0.5
244.20590	12.4
247.08421	1.4
259.08517	0.7
267.09021	1.0
272.20062	100.0
273.20410	4.3
283.09647	2.8
285.09967	1.1
290.21121	83.5
291.21643	2.9
303.13672	0.8
311.10587	0.9
316.22601	2.4
324.61749	0.7
325.03540	0.6
330.20752	1.3
331.12906	1.2
342.20474	0.7
357.53427	0.6
373.17892	0.7
384.21527	0.8
401.24417	4.3
402.22720	9.8
419.25360	80.9
420.20370	0.6
420.25653	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	418.228
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02904	0.9
69.03419	2.9
70.06583	2.2
71.30061	1.7
71.30410	0.8
74.56204	0.9
76.49675	0.7
85.02898	7.9
86.09675	0.9
87.04460	2.2
89.06024	82.8
93.67080	0.9
97.02879	2.6
99.04446	1.1
107.04930	3.8
107.07047	1.5
111.06789	1.0
120.08074	1.5
127.03854	1.1
129.10275	0.8
133.08592	42.4
151.09628	4.8
172.07364	0.9
177.11208	8.6
195.12273	2.8
218.20596	1.1
221.13728	1.2
239.14882	100.0
240.15288	1.4
245.75708	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	9.4
55.05487	11.1
57.03440	19.4
57.07072	8.8
67.05508	33.5
68.49475	7.0
69.07075	34.9
69.29070	73.7
70.06589	28.3
71.04985	13.8
72.08131	11.2
79.05513	34.0
81.03391	14.3
81.07064	33.8
84.08129	14.9
86.09711	19.9
91.05480	13.9
93.07065	38.1
95.04952	19.4
95.08601	16.6
97.06527	26.7
97.10169	8.2
105.07024	25.2
107.04964	100.0
107.08614	20.5
108.05287	30.6
109.10152	9.1
109.61712	6.4
115.07545	26.4
119.04897	12.5
119.08586	11.4
120.08134	11.1
121.06506	15.1
121.10087	8.7
129.06982	13.2
131.08626	10.3
133.06461	7.4
134.46431	6.9
145.06506	8.6
145.10126	12.6
160.08464	7.9
169.06499	9.4
176.30782	6.6
179.90872	6.3
220.26385	7.6
249.09041	9.3
269.17856	10.5
271.15543	9.2
276.10815	10.4
284.24994	9.9
341.11719	8.0
418.15207	14.3
418.30423	86.7
419.16168	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	418.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05402	0.7
56.04935	0.7
56.96478	1.1
65.03815	1.0
67.05374	1.5
67.05701	1.0
69.03314	1.3
69.06960	0.7
70.02845	0.6
70.03963	0.9
70.06441	5.2
70.06878	1.4
70.07612	2.9
71.04883	0.8
72.04374	4.2
72.08009	3.0
79.05338	2.2
80.04926	1.0
81.03315	1.3
81.06915	1.8
82.06470	0.8
84.04371	0.9
84.07983	2.3
85.02746	1.8
86.05909	2.8
86.09542	3.0
87.04314	2.2
89.03778	0.7
91.05305	2.3
92.04900	0.7
93.05634	0.6
93.06900	1.6
94.06394	2.8
95.04841	1.2
95.07228	1.1
95.08459	0.6
96.07966	3.9
97.06424	0.8
98.05885	2.5
103.05333	0.7
104.07018	0.8
106.06438	1.4
107.04778	8.8
108.07951	2.6
109.06368	0.9
110.07054	1.3
110.09499	4.9
116.01498	0.7
116.04793	2.7
116.98438	1.0
119.05907	0.9
120.04285	5.6
120.05199	1.1
120.07910	4.8
121.06349	0.9
121.10035	0.7
122.05850	6.9
122.06781	1.4
123.04292	1.0
123.07869	1.6
123.14436	0.6
124.07413	2.9
128.06944	1.4
129.10095	1.1
130.04785	0.7
133.07477	1.4
133.09880	0.6
134.05994	3.6
136.07556	4.3
138.05348	0.8
138.09125	6.9
140.06882	0.6
144.04419	8.0
145.04761	0.6
145.07465	1.0
146.05989	5.9
146.07919	1.2
147.04268	1.1
147.05344	3.3
148.03804	1.3
148.07558	2.8
149.06934	1.0
149.09438	0.9
151.03690	2.6
152.06897	1.2
158.99466	0.7
160.03778	0.8
161.07095	20.7
162.05495	23.8
162.07448	0.9
163.08582	1.3
164.06964	0.6
165.10109	0.7
166.04770	0.9
166.08640	16.4
171.05441	0.9
172.03925	65.2
172.05368	2.5
173.04076	2.2
173.07024	1.2
174.05414	1.1
176.06970	0.6
177.00500	0.7
177.10066	1.6
179.08041	1.4
187.08546	0.8
188.06900	0.6
188.09224	0.8
189.10114	1.5
189.12508	0.6
190.04988	8.0
191.08147	39.1
191.09775	1.6
191.14052	0.6
203.08014	1.1
204.06358	1.7
206.10210	3.0
215.08147	17.4
216.06360	0.8
221.09085	1.4
233.09189	25.4
234.09280	0.8
237.02592	0.9
238.15286	0.5
263.07263	0.9
265.04758	0.8
279.06421	2.3
301.11584	0.8
302.84521	0.7
303.06357	0.7
316.16260	0.7
321.07748	0.7
325.11813	4.2
340.16537	1.1
344.15982	4.4
358.17694	2.1
368.15988	4.9
374.58301	0.7
381.09573	0.6
386.17084	100.0
387.17453	7.2
400.23355	0.8
418.20233	1.1
418.24399	20.0
419.24738	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01849	0.8
55.05505	4.2
57.03433	0.9
57.07072	0.7
61.02918	1.1
67.05495	0.7
69.03424	6.1
69.07059	1.7
70.04073	40.9
70.06572	1.9
70.76129	1.4
71.04972	0.6
73.02893	1.4
79.05492	0.6
81.03416	5.9
81.07020	0.8
83.08610	9.0
84.04490	0.9
84.08130	0.9
85.02426	0.6
85.02903	8.9
85.62804	0.4
86.09702	0.5
87.00827	3.4
87.04445	0.7
91.03920	0.5
91.05460	0.8
92.54726	0.4
95.04975	0.8
96.05643	0.6
97.02866	2.7
99.04445	1.8
101.09645	1.5
103.50358	0.4
105.01836	1.2
107.04933	3.2
109.02876	3.6
109.10202	0.6
120.08086	0.4
121.06446	2.5
122.06850	1.2
127.03926	4.8
129.01828	0.6
136.07480	0.5
138.09183	0.6
140.07042	1.6
143.01292	0.4
145.05009	1.1
151.03900	4.0
152.04219	2.3
152.11830	1.8
159.02878	2.1
161.09563	1.1
168.06525	2.7
170.12878	100.0
171.13242	0.7
224.08044	1.1
239.12782	2.4
250.12730	0.8
259.08475	0.4
263.43280	0.5
332.18097	1.2
393.99350	0.5
418.18271	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	418.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61771	3.4
52.00047	2.7
53.03954	5.5
55.01868	6.5
55.05513	6.8
56.05029	9.1
56.96559	4.3
57.03442	9.0
58.81193	3.3
60.04512	8.2
61.02918	4.4
67.05492	4.4
68.99789	4.4
69.03432	32.1
69.07063	5.3
70.02967	3.0
70.06594	71.6
71.04991	8.2
71.06924	3.8
71.58691	4.1
72.08155	42.4
73.02920	6.2
74.06091	5.6
79.05462	4.0
81.03422	26.6
81.07071	3.9
83.04953	3.3
83.06110	3.1
84.04510	20.4
84.08149	37.1
85.02905	100.0
86.06051	3.9
86.09709	63.1
87.00838	34.9
87.04462	5.5
87.05573	6.0
87.10011	3.9
88.03982	7.8
89.10647	2.7
89.56683	3.0
90.19882	3.3
90.34341	2.9
91.05479	9.3
93.91267	3.8
95.04935	3.6
95.06085	5.7
97.02901	27.1
98.06019	5.0
99.04426	11.7
102.05551	8.4
103.05434	4.1
105.01179	5.3
105.01859	50.1
105.06997	3.5
107.04954	23.0
107.08604	3.3
108.04478	3.5
109.02876	23.8
110.07170	15.4
115.08630	3.7
116.07056	7.3
117.77774	3.0
120.06740	3.0
120.08147	17.5
121.08370	3.1
123.04369	3.3
127.03920	54.9
127.08698	3.9
128.10683	3.7
129.10233	20.9
130.05008	4.7
130.06529	3.4
131.04947	6.0
131.08507	4.4
132.08116	4.4
133.06432	3.8
136.07607	4.4
143.11783	3.5
145.04967	21.2
146.05995	4.9
148.38641	3.1
149.05975	3.8
152.07030	3.3
159.02861	6.7
159.07993	4.6
159.09161	15.2
159.11353	3.5
170.06001	8.8
173.12878	10.6
177.09111	4.5
184.07358	9.4
186.12407	3.7
188.07086	9.7
189.03882	11.6
197.05936	3.2
201.12334	4.1
205.09694	5.8
206.10310	3.8
219.10168	9.5
231.04895	15.0
243.10260	5.0
261.11230	5.8
284.10205	3.5
418.24371	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2785
Annotation	Machillene
Peak:m/z	Relative Intensity
53.03955	5.2
55.05511	15.6
57.07069	16.5
67.05502	32.6
69.03441	4.7
69.07058	20.9
70.04079	4.2
70.85900	12.9
71.04972	5.4
79.05485	26.3
81.07055	38.5
83.08620	7.4
85.06557	6.2
89.06025	9.8
91.05476	38.1
93.07027	48.9
93.21559	4.2
94.89059	3.6
95.04964	13.5
95.08613	44.5
98.98447	5.5
100.21131	4.1
103.05507	4.8
105.07027	92.2
107.04928	7.9
107.08597	58.4
109.06515	78.7
109.10149	32.0
111.08081	7.2
117.07004	23.9
119.08578	88.0
121.06528	6.3
121.10128	84.1
123.08067	16.8
123.11704	18.6
128.06232	8.9
129.06989	15.4
130.07782	9.8
131.08553	50.5
132.73724	3.9
133.06480	5.3
133.10121	68.8
135.08046	15.0
135.11679	37.2
137.05946	5.4
139.16547	3.9
141.06976	8.3
142.07784	17.6
143.08562	37.9
144.09377	5.0
145.06483	4.6
145.10121	56.8
147.08034	42.1
147.11688	20.2
149.09621	16.5
153.06900	5.3
155.08565	18.6
156.09349	7.1
157.10121	62.7
157.11304	7.2
158.10918	6.7
159.08051	12.4
159.11700	26.5
161.09593	20.1
161.13237	7.9
163.11224	5.1
165.07054	6.0
167.08488	8.8
168.09305	8.8
169.10121	29.3
171.11717	25.9
173.09676	13.4
173.13240	27.0
175.11206	12.5
175.14833	17.7
177.16463	5.4
179.08557	14.8
180.09285	11.8
181.10034	21.7
182.10944	11.9
183.11668	33.1
185.09569	5.4
185.13303	24.5
187.11153	10.2
187.14749	24.3
189.12717	5.1
189.16426	3.9
192.09244	4.5
193.10147	14.3
194.10867	9.0
195.11726	25.9
197.09650	7.6
197.13248	16.2
199.11156	11.3
199.14857	14.8
201.12695	4.7
201.16373	9.3
203.10614	5.8
205.10133	8.2
206.10918	8.9
207.11623	22.7
208.12408	5.2
209.13173	24.0
211.11171	11.1
211.14738	19.0
213.12766	8.2
213.16316	12.6
215.14275	4.6
217.12231	4.6
219.11716	12.0
220.12738	5.1
221.13242	16.1
222.14188	5.8
223.11346	7.9
223.14708	8.0
225.12791	17.9
225.16373	12.1
231.11749	7.2
232.12463	5.5
233.13351	10.3
235.14812	17.0
237.12680	9.1
237.16409	7.1
239.14328	6.4
239.18002	12.2
241.12204	4.2
241.19498	6.7
243.87120	4.0
244.12360	6.5
246.14098	4.0
247.14835	13.5
249.16376	7.1
251.14311	9.3
253.15794	5.5
253.19464	7.0
259.14880	7.6
261.16324	9.6
263.14389	5.1
263.17654	5.6
267.17361	4.8
269.18930	4.9
271.14832	7.5
277.15820	9.5
279.17413	9.9
281.19153	5.8
295.17145	6.8
295.20325	5.4
301.19556	5.0
315.20901	5.7
341.22464	6.4
351.48874	4.4
357.25833	9.3
359.23660	9.0
365.35342	4.8
375.26944	22.7
389.18628	6.1
399.26746	32.1
417.27734	100.0
431.25287	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	417.24
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.0
55.05506	12.6
57.03436	7.9
57.07077	8.2
67.05176	3.3
67.05509	54.0
69.07076	15.1
70.02956	7.6
71.08646	3.7
79.05493	15.4
81.03426	4.3
81.07060	77.3
83.05001	2.4
83.08628	10.2
85.06562	2.0
91.05491	14.1
93.07034	17.3
95.08612	62.3
97.06527	5.6
97.10164	5.1
98.98468	89.8
105.07010	14.5
107.08578	11.5
109.10162	31.6
111.08096	6.3
114.04236	1.9
116.99519	4.6
119.08620	9.7
121.10129	14.4
123.11693	13.7
124.99984	1.9
133.10149	7.3
135.11729	7.4
137.09726	2.9
137.13289	7.6
144.41499	2.0
147.11685	7.0
149.13295	10.0
151.14836	9.2
155.01048	100.0
161.13306	7.0
163.14827	6.1
165.16467	3.4
175.14864	6.0
177.16446	2.3
179.17932	2.2
189.16435	2.4
191.61588	2.1
227.20131	2.9
245.22661	25.5
263.23743	48.1
276.45206	2.3
435.86948	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	417.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81648	2.1
54.35379	2.1
54.59379	2.0
55.01883	3.0
55.05519	12.9
57.03172	1.9
57.03436	10.0
57.07069	5.7
66.98292	2.1
67.05170	4.2
67.05504	51.5
69.07063	12.6
69.35970	13.9
69.36376	4.6
71.05002	2.2
71.08635	3.0
79.05493	14.7
81.07058	75.9
83.08627	11.9
91.05476	12.1
93.07048	19.6
95.08602	64.8
95.32897	2.1
97.06523	3.4
97.10163	5.4
98.98466	91.9
99.08118	5.0
101.40954	2.6
105.07047	10.0
107.08593	12.9
109.10155	30.6
111.08054	2.5
113.00032	3.5
116.99532	4.2
119.08593	12.5
121.10148	19.9
123.11708	14.0
133.10114	11.6
135.11713	6.9
137.09637	2.4
137.13245	7.6
147.11678	8.9
149.13243	7.8
151.14815	9.8
155.01044	100.0
161.13278	7.1
163.14810	7.9
165.16449	4.9
169.02573	3.1
175.14813	6.3
189.16428	3.0
203.17940	2.3
245.22615	23.2
263.23715	49.6
263.26523	2.4
310.79865	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	417.24
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.05509	11.7
57.03432	6.3
57.07076	5.2
65.03925	1.9
67.05505	50.5
69.07071	13.1
70.73072	4.2
79.05498	12.0
81.03436	1.5
81.07056	69.1
83.08617	7.3
85.06535	1.7
87.51669	1.5
91.05479	9.2
93.07040	19.7
95.04943	2.2
95.08607	55.6
97.06538	4.9
97.10169	5.0
98.98467	87.7
99.08077	2.7
102.40001	1.4
105.07034	7.3
107.08596	11.4
109.10164	29.0
111.08088	4.2
113.09682	2.5
116.99505	2.2
119.08591	7.4
121.10164	11.4
121.56081	1.4
123.11736	13.2
127.11307	1.6
133.10126	9.8
135.11737	9.0
137.09589	2.3
137.13242	5.9
143.18660	1.6
147.11699	4.4
149.13249	7.9
151.14822	6.7
155.01041	100.0
161.13275	6.9
163.14783	5.1
165.16394	2.8
175.14790	3.6
189.16399	3.8
193.15840	2.0
245.22665	25.0
263.23712	52.5
270.43042	1.5
336.60779	1.6
376.23834	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.24
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.3
55.01891	2.0
55.05523	10.4
57.03424	7.8
57.06789	1.7
57.07075	4.8
67.05502	53.1
68.05838	2.2
69.07066	13.3
71.02833	1.6
71.08622	2.6
71.50649	2.4
71.52304	1.6
77.46138	1.6
79.05048	2.8
79.05486	19.9
81.03442	2.1
81.07056	75.5
81.54774	1.9
83.08630	11.0
83.82145	1.6
85.06486	2.0
91.05470	12.3
93.07034	19.3
95.04950	2.1
95.08608	61.6
97.06548	4.3
97.10156	5.8
98.98466	90.6
99.08096	4.3
99.53202	1.9
105.07047	9.2
107.08600	14.4
109.10157	32.9
111.08068	4.6
113.97436	1.9
116.99464	3.5
119.08572	8.3
121.10143	13.0
123.08061	2.3
123.11711	16.5
125.09615	2.0
133.10133	12.6
135.11696	9.2
137.13266	8.6
147.11682	7.6
149.13298	8.4
151.14865	8.7
155.01041	100.0
161.13258	5.1
163.14799	6.1
165.16371	4.1
166.06740	2.3
167.07072	1.9
175.14835	6.2
189.16402	3.2
245.22667	24.6
263.23712	53.5
318.48318	1.7
345.85690	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	417.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.4
51.95922	0.3
53.03941	1.4
55.01866	0.8
55.05509	1.5
56.05029	1.2
56.96561	1.3
57.03425	0.5
64.62455	0.3
67.05506	2.6
68.05042	0.5
69.03417	0.8
69.07063	1.1
70.06596	1.1
71.59740	0.3
72.08160	0.6
74.02453	0.4
74.06071	0.6
77.03925	0.4
79.05501	4.0
80.04629	0.5
80.05026	5.1
81.03414	1.1
81.07039	1.9
82.06570	1.9
83.04984	0.4
83.08615	0.9
83.25867	0.4
84.04482	0.5
85.02889	1.1
86.06058	0.8
86.09712	0.5
91.03963	0.4
91.05482	1.8
93.07048	1.2
94.06568	10.5
95.04958	3.0
95.06062	0.6
95.08596	1.3
96.08135	0.6
97.02882	0.9
97.06525	0.4
97.10169	0.5
100.11250	0.5
101.06013	0.4
102.05556	1.5
103.05450	0.4
105.07021	1.5
106.06571	2.5
107.04949	100.0
107.08606	1.3
108.05265	1.5
108.08120	1.5
109.06474	0.7
109.10143	1.6
110.06052	0.6
111.04387	0.5
117.07042	0.5
118.06545	1.7
119.08585	0.7
120.08106	2.4
121.02879	0.4
121.06466	0.6
121.10093	0.7
123.04350	0.5
125.09586	0.5
129.07085	0.5
130.06506	0.7
132.08058	0.8
133.10126	0.7
134.09601	0.5
137.05917	0.5
144.08052	0.5
145.06567	0.4
145.10054	0.7
146.05963	0.6
147.08014	0.4
147.09148	1.2
148.07570	1.2
150.96906	0.4
157.10109	0.6
158.99658	0.5
163.11375	0.5
167.07065	2.1
173.01303	0.4
173.06003	0.4
174.09119	0.5
174.12717	0.6
176.14369	0.8
177.00664	0.5
181.04945	0.9
188.07013	1.2
188.10649	0.4
189.12686	0.4
192.13828	2.0
204.13843	1.0
206.15398	0.4
210.14900	1.4
212.14336	0.5
216.13829	0.6
222.14893	3.1
224.16457	8.8
229.14502	0.8
229.16978	1.6
230.15393	5.3
247.18021	2.1
248.16451	13.8
257.16516	1.6
258.14853	2.2
267.54666	0.4
275.17514	14.1
276.15909	9.3
287.17523	0.4
288.15860	0.5
293.18570	19.4
294.11081	1.4
305.18661	0.5
311.19632	38.6
312.19910	0.9
330.20551	0.5
381.21671	0.9
382.20007	0.4
399.22745	2.9
417.17865	2.2
417.23740	23.2
418.23788	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40450	0.2
51.02380	0.2
53.03933	0.6
70.07147	1.2
79.05468	1.4
81.03447	0.3
94.60820	0.2
95.04963	1.7
105.04488	0.5
107.04941	100.0
108.05274	0.8
115.05419	0.3
118.06528	4.8
130.06511	30.2
131.06822	0.2
132.08096	1.0
142.06509	0.7
143.07265	0.7
144.08070	4.8
146.05994	23.1
154.06516	0.7
155.68709	0.2
156.08076	0.5
158.06012	0.8
159.09152	0.9
160.07607	0.3
170.05983	1.7
188.07043	41.2
189.07368	0.4
200.07039	1.1
205.09735	2.6
206.09616	2.6
216.08112	0.4
220.07532	0.4
233.08311	0.6
234.09099	7.6
235.09758	0.4
236.10596	1.1
248.10648	1.9
252.10201	0.3
258.44452	0.2
265.13428	0.4
272.39572	0.3
294.11209	54.7
295.11533	0.7
311.13861	6.9
328.13181	0.3
354.79517	0.3
400.15421	8.8
401.15613	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	1.2
61.49142	0.8
68.14202	0.8
69.07098	0.8
69.36595	1.0
70.06596	11.4
71.06107	1.0
71.57545	0.8
72.08161	5.1
74.06064	1.9
75.05602	8.9
84.04517	3.2
84.08142	5.4
86.06087	0.9
86.09705	100.0
87.05592	20.4
88.03994	0.9
90.10453	0.8
96.97397	0.9
97.03986	0.8
98.09701	6.7
99.05589	6.8
99.63321	0.8
108.01025	0.8
109.04031	0.9
110.07168	4.1
115.05054	30.5
126.05553	0.9
126.06572	1.9
127.05044	23.3
129.10257	1.9
143.11786	16.1
144.07683	1.5
154.06139	3.4
155.11798	14.5
155.38885	0.9
156.07634	1.5
171.11292	9.7
172.07158	13.1
183.08757	2.3
183.11290	13.5
184.07193	10.5
185.43413	0.9
189.12357	11.6
200.06735	1.2
200.13934	1.5
201.09865	8.6
211.08209	1.1
222.12215	0.9
228.13470	4.0
229.09309	27.4
240.13431	9.6
246.14432	1.9
257.16168	2.7
269.15967	1.2
285.15662	1.2
296.17267	2.6
297.15570	7.5
303.16635	1.5
314.18204	46.3
324.16666	2.3
342.17697	11.9
378.68796	0.9
399.19910	2.4
417.20523	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
60.53022	0.4
64.79685	0.4
66.90862	0.4
70.06603	0.4
70.85260	0.4
77.03873	0.5
79.05481	2.1
79.16186	0.4
81.03408	0.6
81.07028	0.8
86.09691	0.5
89.06022	1.6
91.05475	0.7
95.04964	1.7
98.97587	0.6
99.21046	0.4
107.04948	100.0
108.05286	1.2
116.98633	0.4
117.07016	0.5
118.03963	0.4
118.06516	5.2
130.06519	49.8
131.06813	0.9
132.08109	1.3
133.08595	0.5
142.06506	0.5
143.07298	0.7
144.08070	6.5
146.06001	23.5
151.03951	0.5
154.06529	1.1
158.06001	2.3
159.09177	1.9
167.06958	0.5
170.06050	1.7
182.06151	0.5
188.07051	48.0
189.07349	0.8
200.07053	2.0
205.09706	17.1
205.26265	0.5
206.09679	3.5
217.08897	0.4
219.06845	0.5
220.07570	0.6
222.09143	0.7
233.08458	0.7
234.09111	12.6
235.09763	0.5
236.10699	3.2
238.12154	0.5
238.88026	0.4
248.10646	2.8
252.10182	0.6
294.11224	56.9
295.11612	1.6
311.13855	15.3
389.87860	0.6
400.15417	5.9
417.17725	0.5
417.23492	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.05499	1.1
56.96550	0.6
61.02907	0.7
64.40783	0.4
67.05503	1.5
67.47154	0.5
68.86932	0.5
69.03426	1.2
69.46214	0.5
69.47826	0.5
70.04078	9.9
70.06586	2.2
71.04957	0.6
71.59682	0.7
71.60040	0.6
72.08129	0.8
73.55746	0.5
74.71831	0.5
75.11308	0.5
79.05474	2.7
81.03417	1.4
81.07037	1.4
83.04121	0.5
83.04997	0.6
84.08127	0.8
85.02891	2.6
85.06498	0.5
86.06071	0.5
86.09704	0.8
87.66532	0.5
91.05485	1.3
95.04959	2.7
95.06059	1.0
95.08584	1.0
97.02859	0.7
98.09702	0.7
103.05451	0.6
104.20057	0.5
105.04524	0.5
105.07031	1.0
107.04947	100.0
108.05289	0.8
109.02907	0.6
113.86652	0.6
115.05457	0.5
116.98650	0.7
117.06991	1.1
118.06536	8.5
120.08137	0.8
121.06482	1.2
121.10148	0.6
123.04408	0.7
127.03860	0.6
130.04961	0.5
130.06528	6.5
132.08098	2.8
133.10149	0.9
142.06551	1.0
142.89639	0.5
143.07297	0.8
144.08080	8.4
144.10144	0.8
145.06444	1.0
145.10350	0.5
146.05995	39.9
147.87192	0.5
151.03914	0.5
159.09128	2.0
167.07040	5.8
170.06036	2.8
173.05968	1.4
181.04982	2.5
188.07054	70.3
191.07005	1.0
205.09721	27.7
234.09048	0.9
273.18173	0.5
294.11221	38.0
295.11392	0.7
311.13885	8.3
373.21100	1.7
387.14218	0.5
399.10623	1.1
400.15106	0.7
417.15601	1.0
417.20139	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.4
53.03933	1.2
55.05500	1.2
56.96569	0.5
57.03431	1.0
61.02917	0.9
65.03923	0.4
67.05515	1.1
67.80014	0.4
69.03410	1.3
69.07077	0.6
70.04076	4.3
70.06605	2.0
70.70234	0.4
71.04973	0.6
71.59694	0.8
72.04840	0.4
72.08154	1.0
77.49686	0.4
79.05482	2.1
81.03413	1.2
81.07043	1.3
83.08585	0.4
84.04498	0.5
84.08127	1.5
85.02888	1.6
85.68965	0.4
85.90122	0.4
86.06063	0.5
86.09691	0.6
87.22404	0.4
91.05470	1.3
93.07026	1.1
95.04943	2.0
95.08580	0.9
97.02908	1.1
97.06544	0.7
98.09669	1.0
98.97601	0.6
103.05513	0.6
105.07042	0.6
107.04948	100.0
108.05288	1.1
109.10155	0.8
110.07188	0.5
114.94102	0.4
116.98645	0.6
117.07017	1.0
118.06534	6.5
119.08543	0.6
120.08128	0.5
121.06487	0.9
121.10136	0.6
123.04414	0.4
127.11089	0.4
130.06535	4.6
132.08101	2.0
136.07489	0.5
142.06499	0.6
142.25011	0.4
143.07301	0.7
144.08075	7.2
144.10172	0.9
145.06528	0.7
145.10443	0.7
146.06001	30.7
159.09180	0.8
160.07579	0.7
167.07047	4.3
170.06047	2.0
173.05998	0.6
177.00731	0.7
181.04915	1.7
184.07401	0.5
188.07053	63.4
189.07362	0.6
204.06604	0.7
205.09731	9.6
234.09090	1.0
244.15430	0.5
294.11224	43.3
295.11441	0.7
311.13895	7.5
313.03549	0.5
345.67584	0.4
355.07819	0.7
373.21237	1.2
387.13971	0.5
399.10660	1.2
400.15137	0.8
417.11774	1.1
417.24106	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
55.01869	2.1
55.05498	2.5
57.03434	1.3
67.05501	4.0
68.58578	0.9
69.07083	2.3
70.06595	3.9
70.10528	2.5
70.10920	1.9
71.04996	1.5
79.05481	5.4
81.03401	2.1
81.07037	2.8
82.90801	1.2
83.08647	1.0
84.08140	1.7
86.09676	1.5
91.05467	6.2
93.07041	3.6
95.04971	5.0
95.08609	2.4
103.05491	2.3
105.04502	1.7
105.07014	5.2
107.04950	100.0
107.08627	2.9
108.05282	1.4
109.02779	1.0
109.06570	1.6
109.10157	1.3
115.05450	2.4
117.07037	3.0
119.04948	5.1
119.08669	1.2
121.02869	7.5
121.06487	6.4
121.10134	1.4
123.04421	3.5
128.06215	1.5
129.06981	3.9
129.10281	1.1
131.04955	4.6
131.08574	2.4
133.06451	5.6
133.10173	1.4
135.08141	1.0
141.06964	2.4
143.08560	1.2
145.06476	8.9
145.10143	1.6
147.08047	2.1
149.05972	2.1
155.08546	1.9
157.06459	6.1
159.08023	3.9
165.07033	2.7
167.08565	1.3
169.06485	6.3
171.08061	1.3
173.06023	1.6
175.07504	1.7
178.07872	1.3
179.08618	2.0
181.06503	4.5
181.10112	1.4
183.08104	3.1
191.10646	1.6
195.08093	1.3
202.07809	1.3
206.07420	1.1
207.08047	5.0
207.85329	1.1
209.06058	1.5
215.08612	1.5
218.07306	1.6
219.08006	2.3
221.09558	1.3
223.07538	3.0
225.09068	10.4
231.08008	2.2
233.09677	2.8
235.07555	1.9
237.09094	4.0
241.08665	1.4
247.07564	3.1
249.09140	4.4
251.10461	2.2
257.09662	1.8
259.07739	1.1
261.09134	3.4
262.09695	1.3
263.10672	3.7
269.10474	2.4
273.09219	1.5
274.09747	1.1
275.10623	10.4
277.12250	1.4
287.10910	4.8
305.11743	1.5
325.13342	1.2
369.14679	2.2
381.14798	2.9
399.15948	7.5
417.15192	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	417.165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67521	0.2
51.54335	0.1
52.03172	0.3
53.03938	0.5
55.01877	0.2
57.03426	0.2
57.48539	0.1
65.03936	0.6
67.05497	0.8
68.36443	0.2
70.06578	0.6
71.60135	0.3
72.08144	0.2
77.03944	0.2
78.04694	0.7
79.05476	0.2
81.03404	0.2
81.07038	0.2
84.04488	0.3
84.08146	0.2
86.09707	0.4
91.05470	1.7
93.07041	0.4
95.04951	1.4
105.04524	0.2
106.04121	0.3
107.04952	1.3
107.08630	0.3
108.02060	0.8
108.05283	0.2
109.02872	0.2
114.39956	0.2
121.06496	100.0
122.06842	1.3
141.05472	1.6
151.03899	29.7
151.04990	2.3
152.04277	0.3
157.81401	0.2
167.07037	0.9
181.04938	0.4
188.07051	0.2
204.10237	0.6
212.06903	0.2
221.12862	1.5
240.19612	0.5
246.79491	0.2
248.46454	0.2
249.12347	3.0
267.06592	0.2
267.13434	1.7
294.11316	0.4
417.16138	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59549	1.5
53.03953	2.2
55.01869	2.1
55.05494	6.4
56.05024	5.8
57.02070	1.6
60.04517	4.1
67.05489	4.0
69.07061	6.0
70.02937	1.9
70.06593	100.0
71.06915	1.7
71.17144	1.7
71.57742	2.8
72.04510	5.1
72.07803	2.4
72.08161	27.9
73.02924	2.4
74.00673	2.2
74.06053	1.9
75.99760	1.7
81.03421	3.0
81.07053	2.5
81.53487	1.6
83.06108	1.7
84.04506	16.5
84.07645	1.7
84.08141	28.5
85.02907	3.5
85.04070	2.1
85.08510	2.3
86.09707	76.7
87.05585	4.3
87.10021	3.9
88.03990	5.1
90.05560	8.2
91.05463	3.3
92.01680	8.3
93.07005	2.6
95.04944	2.0
95.08583	2.8
98.06050	1.7
100.07623	4.5
101.07116	1.8
102.05538	5.7
104.10715	2.6
107.04954	58.5
110.02741	51.8
110.07150	19.0
111.07488	2.1
112.08698	2.7
112.11202	1.5
115.05035	1.9
115.08711	1.8
116.07088	3.3
116.09484	2.9
119.04893	2.3
120.08104	12.1
121.08388	1.7
124.07618	2.8
125.00014	2.3
127.08654	6.6
129.10248	14.8
130.04967	2.9
131.04958	3.7
132.10225	2.4
133.06104	2.3
134.02699	25.0
136.07539	3.7
141.06677	2.0
142.08601	4.8
143.11761	7.5
144.05728	2.9
147.04366	3.7
152.03752	10.6
155.08182	5.7
157.09785	2.2
158.30214	1.7
159.09169	2.5
163.05373	5.3
164.03731	2.0
165.06894	1.6
170.06010	4.5
171.11307	6.5
181.06424	78.4
184.07367	6.1
191.04828	5.4
191.08559	3.6
194.07199	4.6
195.07948	2.7
207.07935	2.3
207.11324	1.8
209.09476	2.3
216.06920	4.6
219.08095	2.8
225.09172	9.7
229.11758	2.3
231.09761	3.0
237.09106	41.8
247.10982	18.4
247.13127	2.4
258.14343	3.1
281.31064	1.8
286.13904	4.9
287.10599	56.1
297.09470	1.7
304.13165	4.8
399.15881	16.7
399.20740	3.4
417.17355	24.8
417.22623	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	417.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03165	0.4
52.12360	0.3
53.03931	0.5
55.01857	0.7
56.05024	0.4
59.50698	0.2
65.03932	1.6
67.05499	2.0
70.06580	1.1
70.89902	0.7
71.01369	0.3
72.08150	0.3
81.77978	0.2
83.06094	1.9
84.04499	9.0
84.08118	0.3
85.02902	0.8
86.09692	0.7
91.05483	1.2
93.07037	1.7
95.04977	1.8
100.11290	0.4
103.05460	1.0
107.04935	0.9
108.02110	2.8
109.02887	0.7
111.04433	0.6
121.06498	47.9
122.06808	0.3
126.60217	0.3
129.06587	2.0
130.05002	4.0
136.01549	0.6
138.09132	10.4
141.05463	4.7
151.03900	100.0
151.04993	7.4
152.04263	1.1
167.06999	0.3
170.12898	1.2
203.11755	1.9
204.10179	8.5
210.14886	0.3
221.12843	17.7
222.13113	0.3
249.12346	21.1
250.10683	3.9
250.12753	0.3
267.13403	13.6
268.13705	0.4
309.58743	0.3
399.15536	0.8
416.74728	0.8
416.99997	0.3
417.16660	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78607	1.0
56.05030	1.2
60.04531	1.0
64.51389	0.9
68.05006	1.1
69.39558	1.0
70.06592	100.0
71.57346	1.1
72.08147	3.8
74.00653	1.2
74.06069	1.7
82.38539	0.9
83.94189	1.0
84.04484	3.0
84.08160	4.3
86.09702	7.8
87.05583	1.7
98.06058	2.6
102.05589	1.0
107.04970	2.1
108.05292	0.9
110.07156	3.6
112.08745	1.2
115.05030	1.5
115.08731	1.1
116.07085	1.8
122.02710	1.8
122.07170	0.9
124.07590	4.2
125.07092	1.4
126.03741	18.8
126.05515	1.4
127.05035	1.3
128.05284	1.2
129.10229	1.7
139.08646	4.4
143.11720	1.1
148.00658	1.1
150.05560	1.1
152.07068	2.5
154.03207	3.3
155.11850	1.2
167.08096	1.1
171.05995	1.2
172.07260	1.2
176.11821	2.1
179.04878	1.2
183.11406	1.4
199.05348	4.5
204.11322	9.0
217.06390	3.0
218.12956	0.9
219.08005	13.6
222.12354	2.1
229.09325	0.9
250.11925	4.2
257.45151	0.9
264.13480	3.5
275.05286	2.1
296.10602	10.3
298.12119	1.1
314.18298	2.6
316.13202	3.1
320.07343	3.7
372.10434	26.4
389.13135	1.1
400.09799	10.1
417.12650	27.9
417.24597	1.8
417.55234	1.0
427.54095	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
53.67297	0.3
55.01857	0.5
55.05495	1.1
55.93513	1.3
56.94296	1.3
56.96543	0.7
57.03428	0.6
60.04499	0.7
61.02902	1.0
67.05490	1.7
68.94264	0.5
69.03419	1.8
69.07051	0.3
69.61008	1.2
69.61436	1.2
70.06564	1.3
70.95853	2.8
71.04990	0.4
71.92995	0.4
72.08155	1.6
72.93394	0.6
72.93781	8.5
73.02908	0.4
74.95323	0.3
79.05462	1.1
81.03413	8.3
81.07030	1.4
82.95837	0.3
83.04939	0.9
84.08125	0.5
85.02905	2.8
85.40614	0.3
86.06069	0.3
86.09700	1.5
87.04463	0.4
88.96900	1.6
89.94015	0.4
90.94816	6.5
91.05471	3.2
93.07009	1.2
95.04939	1.0
95.06084	0.4
95.08557	0.4
97.02892	3.5
97.06528	0.5
100.11224	0.4
102.94810	0.5
103.05414	0.8
105.07032	1.5
106.97943	0.3
107.04957	4.3
107.08575	0.6
107.95013	0.3
108.95865	3.4
109.06490	0.3
110.07124	0.4
111.04433	0.3
113.96393	0.4
115.05446	0.4
116.96361	0.6
116.98590	0.5
117.07021	0.4
118.08655	0.5
119.04906	0.6
119.08587	0.9
120.08051	0.3
121.06492	0.8
123.11700	0.4
126.98393	1.4
127.03895	1.2
128.96304	1.8
130.97887	0.7
131.04892	0.9
132.10204	0.3
132.95807	1.0
133.06505	0.4
133.10126	0.4
134.97360	1.1
134.98909	0.7
135.08040	1.0
136.95319	0.4
137.05954	1.0
138.98398	1.7
140.96263	0.5
142.97891	0.9
144.95808	1.4
144.99434	1.6
146.97356	1.7
148.11093	0.3
148.98944	1.6
149.00301	0.4
149.05931	0.5
150.96851	1.7
150.98415	0.7
152.96318	0.7
152.99915	0.4
154.97887	4.0
156.99445	0.8
158.97391	1.3
159.01018	0.6
160.98912	0.6
161.05945	1.0
162.96892	1.1
163.02066	0.4
163.03737	0.3
163.07521	0.4
164.99974	2.9
165.03610	1.7
165.05391	0.3
166.97882	3.5
167.01544	0.9
167.06985	0.9
168.95830	0.7
168.99471	1.2
170.97374	1.2
172.98955	5.2
176.08302	0.5
176.98412	1.1
178.97935	1.5
180.99478	2.4
181.03168	0.4
181.04918	0.9
182.97282	0.4
184.98984	2.6
185.02602	1.0
186.96916	0.4
187.00516	1.0
188.98451	0.4
188.99988	1.0
190.97818	0.4
190.99953	0.7
191.01569	1.4
191.07036	0.5
192.99466	3.0
193.03030	0.5
193.12250	0.5
196.98956	1.1
199.00534	0.8
200.98364	0.6
201.00107	0.4
205.11841	1.2
207.01033	1.4
208.98994	0.5
209.02605	2.0
211.00548	1.8
211.04047	0.5
213.02040	0.4
215.00015	0.5
219.01012	7.1
222.02141	0.4
223.00542	0.7
225.02106	0.4
227.03664	7.4
229.05185	1.7
234.98824	0.5
237.02080	22.9
238.02205	0.4
239.00095	0.4
240.03099	0.5
245.04732	0.8
251.00046	1.0
253.01581	1.2
255.03125	25.7
256.03418	0.9
260.03729	1.1
267.06522	0.4
273.04187	100.0
274.04480	2.8
275.05746	0.4
278.04999	0.7
291.05231	3.6
292.05484	0.4
296.05798	7.9
315.05032	1.2
339.05371	0.5
343.09271	0.4
351.05075	1.0
399.07501	1.3
417.08398	13.5
417.14438	0.7
418.08508	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
55.01860	1.4
55.05307	0.8
55.05508	10.5
56.96561	2.8
57.03425	1.9
57.07058	1.9
58.99566	0.9
61.02909	1.8
65.03922	1.6
67.05167	1.5
67.05500	24.6
68.44949	0.9
69.03420	1.5
69.07065	15.5
69.51077	2.0
69.51500	5.6
70.06573	3.1
71.04968	2.3
72.08126	1.1
73.02895	1.5
76.02214	2.4
77.23325	0.9
79.05485	30.9
81.03410	1.9
81.07051	28.5
82.07387	0.9
83.04982	2.4
83.08611	6.2
84.08123	1.5
85.02916	2.1
85.06522	1.5
86.09676	1.3
86.99039	1.2
87.04450	1.0
88.04029	1.0
91.05473	16.4
93.07038	43.3
95.04970	4.3
95.06070	1.7
95.08599	19.7
97.06505	2.8
97.10159	2.2
98.97587	2.2
99.02705	0.9
105.04441	1.1
105.07020	14.5
107.04929	11.9
107.08586	30.7
109.06500	3.1
109.10130	10.0
110.10475	1.0
111.02601	1.6
111.08054	1.5
113.04249	1.4
115.05456	0.9
116.98598	2.5
117.06991	4.8
119.08571	11.9
121.06475	3.4
121.10147	15.1
122.02708	5.4
123.08046	3.0
123.11678	2.3
125.04207	1.9
129.06978	2.9
130.06442	1.1
131.08562	6.7
133.10117	10.3
134.99669	1.5
135.11678	21.3
136.12015	0.9
137.04198	0.9
139.11157	1.1
143.08524	2.7
145.10103	7.0
146.99567	1.5
147.08049	1.5
147.11678	8.8
149.13272	13.7
151.11090	1.1
157.10106	2.4
159.11656	4.2
160.97377	0.9
161.13274	6.0
163.11110	1.6
163.14748	2.8
166.20543	0.8
167.06998	1.2
171.11745	4.1
173.13222	3.9
175.14807	1.5
177.12634	1.3
181.12340	1.1
185.13194	2.4
188.06863	1.7
195.13771	1.0
199.14810	1.7
203.14273	1.1
207.13748	3.0
209.15340	1.0
213.16377	1.2
217.15855	0.9
219.01744	1.1
221.15343	3.2
231.17418	1.3
235.17105	1.6
237.02818	2.0
241.19492	4.3
259.20532	8.4
272.13153	1.0
275.20041	3.4
277.21606	100.0
278.21915	1.7
291.17676	3.9
294.10992	6.1
295.22711	3.6
309.18753	7.1
328.15588	1.6
331.14194	1.0
349.15353	5.1
380.22418	1.9
381.20859	3.5
398.23526	12.5
399.22034	2.6
416.15845	1.5
416.24054	4.8
417.17776	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	416.239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78073	0.5
53.03936	1.0
53.87819	0.7
55.01852	0.7
55.05509	1.8
56.05026	2.3
57.03426	1.8
67.05487	2.5
68.05035	1.1
69.07067	1.1
69.90305	1.3
69.90706	2.5
70.06592	6.6
71.04993	1.5
72.08150	3.1
79.05497	3.2
80.05038	3.4
81.03425	4.1
81.04541	2.2
81.07064	4.2
82.05325	2.4
83.04986	1.2
83.06105	16.9
83.08628	1.2
84.04502	1.7
84.08138	2.5
85.02901	5.2
85.06535	0.9
86.09704	4.8
87.05572	0.7
90.05551	1.7
91.05479	4.6
93.04531	7.8
93.07018	3.1
94.06563	0.9
95.04982	2.2
95.06090	22.5
95.06695	1.3
95.08611	1.4
97.02881	1.4
97.06531	0.9
97.10159	1.1
98.97535	0.7
103.05444	1.2
105.07025	2.9
107.04977	5.3
107.06071	13.8
109.02917	0.8
109.06454	1.3
109.07645	1.1
110.07163	100.0
111.05548	3.1
112.08736	5.2
113.07116	1.6
115.05044	1.2
116.07106	0.8
119.04961	1.0
119.08566	2.3
120.05573	1.2
120.08112	1.3
121.06512	16.1
121.07623	3.1
121.10138	0.8
122.08434	0.6
123.09174	3.1
124.05217	3.0
127.03943	1.0
129.07080	0.6
129.10266	1.4
131.05064	0.6
131.06032	3.6
133.06488	1.2
133.07625	2.1
134.09636	1.3
137.05966	4.1
147.07716	0.8
147.11697	1.4
149.07137	1.4
150.10263	1.1
152.08295	0.8
156.07687	14.5
180.07848	1.9
193.12154	0.7
204.09837	3.4
230.15358	0.8
247.18173	0.8
248.16545	0.8
254.15344	0.8
257.16559	2.2
275.17514	6.0
284.17599	1.4
285.15857	1.3
293.18579	26.1
294.18567	1.0
302.18610	2.2
320.19650	5.0
323.19846	1.3
338.20752	23.7
339.19290	0.7
340.22443	1.4
349.17499	0.9
352.22382	0.9
366.20221	9.3
370.23438	1.2
384.21289	87.5
385.21771	3.3
398.22940	5.3
406.58789	0.6
416.23993	61.6
417.24451	3.5
436.66208	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52881	0.8
55.01877	1.5
55.05497	1.7
56.05026	1.9
57.03403	1.0
60.04519	2.7
64.02300	0.8
67.05499	1.3
68.05034	0.8
69.03413	0.9
69.07061	3.6
70.00027	1.9
70.00434	3.1
70.06592	19.4
71.04970	1.1
71.06928	0.9
72.08152	8.0
79.05489	3.9
81.03423	1.4
81.07043	1.1
83.06081	0.8
84.04517	4.5
84.08142	11.3
86.09216	1.5
86.09707	19.8
86.10228	0.9
87.05560	1.2
87.10042	1.2
88.04002	1.2
91.05468	1.6
93.04525	0.9
93.07011	1.5
94.06584	1.0
95.04944	1.6
95.06078	1.0
95.08607	0.9
98.06051	3.5
98.98466	3.4
99.04379	0.8
99.06370	0.9
103.05467	3.1
104.10725	2.4
105.07034	32.5
106.05032	0.9
107.04957	11.7
108.05264	1.5
110.07174	8.3
115.05439	1.3
116.07095	8.3
117.07436	0.9
118.07462	1.1
118.08607	1.0
120.08125	5.3
124.99974	1.0
127.03882	1.0
129.10219	6.2
130.05002	1.1
130.06442	1.0
131.04883	2.9
132.05672	1.5
133.06491	100.0
134.06786	1.6
136.07565	3.2
140.11717	0.9
143.11787	1.9
145.06424	1.8
155.01050	1.7
175.07593	1.0
184.07352	3.5
200.73743	0.9
202.79991	0.8
223.10789	2.9
231.15961	4.9
288.85480	0.9
416.19659	2.0
437.96646	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.8
60.04513	0.7
60.99115	0.6
67.21413	0.5
69.88232	2.6
70.06586	100.0
71.06909	1.2
72.08152	3.7
79.05493	1.0
80.05010	0.5
84.04501	2.9
84.08135	10.8
84.08617	0.9
85.02908	1.7
86.09706	4.8
88.03995	1.1
88.38110	0.4
90.94794	0.7
91.05464	0.7
95.04971	1.3
95.06061	1.0
98.06062	5.5
102.05557	0.6
107.04948	67.8
108.05279	1.6
116.07082	7.1
116.98623	0.6
119.04882	0.8
121.06500	1.2
126.05515	3.7
127.03896	0.6
129.10254	1.6
130.05005	1.1
130.08672	0.8
133.06433	0.9
136.07599	0.9
141.10222	8.9
147.04434	0.8
147.07649	1.1
165.32246	0.6
167.11743	1.2
176.10698	34.3
188.07147	0.5
195.11279	3.2
204.09712	0.5
204.13429	15.6
213.12325	17.5
227.07280	0.6
241.22484	0.5
269.48740	0.5
298.65018	0.5
301.15433	0.8
310.17590	24.4
311.17548	0.7
356.04446	0.8
357.01004	0.7
374.05093	0.7
416.21753	21.5
416.26547	1.8
417.22174	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.6
55.01869	3.1
56.05030	1.6
56.47068	1.2
57.03437	2.9
57.76990	1.0
60.04528	9.8
61.02921	2.8
65.03924	2.7
67.05465	1.0
68.99768	2.0
69.03426	17.4
69.07027	1.2
70.06595	11.1
70.78016	2.6
70.78359	1.7
72.08147	3.3
73.02913	3.3
77.03913	1.3
78.77528	1.2
79.05484	10.8
81.03414	19.7
81.07044	5.5
83.04996	1.7
84.08141	4.5
85.02896	30.2
86.06061	1.5
86.09698	12.3
87.00817	11.0
87.04454	2.4
91.05476	64.9
92.05809	1.5
93.07040	1.8
94.06577	6.3
95.04963	8.4
95.06089	1.4
95.08604	1.9
97.02882	9.8
99.04453	6.9
103.05449	2.5
105.01872	7.6
105.07018	19.6
106.06542	7.6
107.04951	100.0
107.07397	1.9
109.02863	16.0
109.06499	10.3
110.07128	2.4
111.04420	3.3
115.05469	2.8
117.01836	2.6
117.05771	8.3
120.08099	41.9
121.06518	3.3
122.05982	1.5
122.09668	6.5
127.03918	23.4
129.01836	1.7
129.10211	1.7
132.08084	99.3
133.06494	17.8
135.11647	1.2
136.07719	1.4
145.04956	6.6
145.06439	1.4
150.09132	79.8
159.02888	7.6
165.01936	1.4
167.06947	1.8
168.10181	10.9
184.04306	1.3
193.12222	3.4
231.05023	4.0
233.03453	1.3
252.19476	2.1
254.02307	1.2
267.15759	2.3
330.03497	1.5
354.15640	2.4
390.42874	1.2
398.14462	5.8
416.15329	10.0
416.27063	1.6
417.17438	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	415.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.6
55.05513	17.4
55.79506	2.8
57.07077	100.0
67.05184	2.6
67.05506	37.6
69.03417	2.8
69.07075	23.7
71.01398	2.6
71.08634	84.8
71.51768	3.6
74.28609	2.3
77.46774	2.3
81.07056	57.8
83.08620	44.7
85.02911	39.6
85.09663	2.5
85.10182	45.6
91.05481	3.8
91.78714	2.6
93.07024	8.8
94.10226	2.6
95.01328	43.5
95.08611	86.1
96.05611	3.2
97.02921	3.3
97.10179	21.3
98.98447	4.9
99.00737	2.7
99.11706	4.5
105.07021	3.0
107.04940	4.6
107.08622	4.0
109.10156	40.6
111.11738	4.9
113.02360	2.9
113.13203	2.4
119.08559	19.7
121.10141	6.3
123.11703	21.9
125.13251	7.6
135.11699	6.2
137.13249	13.3
138.10223	3.4
138.53110	2.6
141.00735	4.6
141.01828	73.2
143.03381	9.4
151.14801	5.0
155.01012	6.3
159.02966	3.8
165.16425	3.4
173.85075	2.9
202.85977	3.0
221.22449	5.3
239.23703	76.2
243.21332	2.5
261.22000	4.5
415.30365	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.269
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94042	1.4
55.05513	15.5
57.03432	3.3
57.07074	100.0
67.05503	42.1
69.07066	29.9
70.77968	4.2
70.78330	3.3
71.01357	2.4
71.08630	78.3
79.05492	6.5
81.07054	57.8
83.08615	45.9
85.02905	44.9
85.10179	43.2
89.06036	1.9
91.05494	7.5
93.07039	6.7
94.58324	1.7
95.01329	50.5
95.01939	2.5
95.08604	89.4
97.02888	3.9
97.10168	22.4
98.98462	3.6
99.11738	3.7
105.07054	2.4
107.04961	6.2
107.08611	2.3
109.10157	39.3
111.11723	7.9
113.02360	4.5
113.13216	2.2
117.06984	2.1
119.08565	11.6
119.80534	1.7
123.11709	21.2
125.13271	5.0
131.03395	2.5
132.08066	3.5
135.11650	2.3
137.13222	11.4
139.14833	2.9
141.00731	4.0
141.01828	69.4
143.03409	8.4
145.10091	2.7
150.34467	1.7
151.14804	4.1
155.01070	3.5
159.02885	5.7
165.16443	3.8
168.29536	1.7
215.95074	1.7
221.22716	5.4
237.22102	1.9
239.23674	74.8
257.24817	3.2
261.22183	2.4
353.62598	1.9
369.98080	1.9
392.74097	2.0
410.80362	2.0
415.32498	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	415.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36845	0.5
53.03945	0.6
55.05500	1.6
56.05031	0.5
56.96569	0.5
57.03430	0.9
62.34063	0.4
67.05511	2.3
69.07069	0.7
69.44673	3.1
69.45079	0.9
70.06593	5.5
71.04982	0.5
72.08150	1.9
76.42153	0.5
79.05505	2.1
81.03413	0.6
81.07061	1.3
83.04967	0.8
83.08627	1.2
84.04497	1.7
84.08154	3.0
86.06067	2.4
86.09708	100.0
87.10033	1.0
91.05466	1.1
93.07050	1.2
95.05006	1.0
95.08624	0.8
97.10177	1.3
99.04393	0.5
105.07056	1.5
107.04967	4.3
107.08561	0.6
109.06532	0.7
110.07159	1.4
114.05541	1.8
115.05491	0.6
119.04982	0.7
119.08605	0.9
120.08134	0.9
121.02833	0.6
122.01342	0.5
125.01599	0.7
125.09642	0.5
129.05522	0.6
130.05025	0.6
131.08524	0.6
133.06442	0.6
137.06038	0.6
140.87633	0.5
173.05855	0.5
184.07436	0.7
189.12384	6.7
199.14462	0.9
199.18065	1.6
219.08141	0.6
223.13416	0.6
225.09232	0.6
227.13910	16.0
227.17627	2.1
234.75665	0.5
237.09126	0.7
237.12560	0.5
256.75961	0.5
288.27066	0.5
289.92975	0.5
297.08121	0.6
316.54077	0.5
415.06052	1.1
415.19202	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	415.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
62.97598	0.3
64.07136	0.3
69.34874	2.8
70.06584	2.0
72.08154	1.3
73.02926	0.4
73.06551	1.4
84.04504	0.6
84.08134	0.8
86.09700	1.2
87.04462	6.1
89.06023	100.0
91.05473	0.3
95.06091	0.8
105.07027	0.6
107.04961	3.8
107.07060	3.4
108.05276	1.1
113.07107	0.7
113.62766	0.3
116.07066	0.4
117.09093	0.5
130.08627	0.7
131.07028	1.1
133.06473	1.1
133.08592	47.5
134.09015	0.4
147.04366	0.4
151.09698	0.4
155.21339	0.3
162.32268	0.3
175.09688	0.5
177.11212	10.5
218.97437	0.4
221.13782	0.9
239.14885	0.7
271.00598	0.5
283.17679	0.4
304.38849	0.3
317.01083	2.2
327.19818	0.4
335.02228	2.6
336.02576	0.4
371.22562	0.7
415.24500	1.7
416.14932	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	11.0
57.03433	7.3
57.07077	2.7
61.63437	1.6
63.19501	1.6
65.03929	2.6
67.05180	3.5
67.05505	46.1
69.07067	13.1
71.44798	3.7
79.05495	40.4
81.07056	50.9
83.08614	5.8
91.05480	21.6
92.16711	2.0
93.07047	55.5
95.04980	5.6
95.08607	47.7
97.06538	2.4
97.10158	2.2
98.98466	74.1
99.08133	2.9
105.07028	18.7
107.04061	1.8
107.08588	37.7
109.10146	19.7
117.07018	10.8
119.08587	16.9
121.09306	2.9
121.10146	32.6
122.10494	1.9
123.11707	6.2
131.08578	19.7
133.10135	11.5
133.11063	1.6
135.11694	28.1
137.13271	6.4
139.11139	1.9
142.29543	1.7
145.10110	18.3
147.11662	12.8
149.09627	4.8
149.13280	25.9
151.11131	1.8
155.01042	81.6
159.11681	13.7
161.13269	8.5
163.14799	17.3
165.12830	2.7
173.13223	12.9
175.14743	2.3
177.16431	4.5
187.14838	10.8
191.14417	2.2
201.16382	3.6
205.15775	2.4
219.17450	2.5
233.22673	5.4
243.21103	35.1
244.21678	2.4
261.22144	100.0
262.22473	2.8
267.11945	2.2
285.60162	2.3
372.42126	1.9
415.22220	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	415.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45178	1.7
53.03944	3.3
55.05507	14.1
57.03432	5.8
57.07069	4.8
57.14759	1.6
60.27247	1.6
67.05502	54.8
69.07066	14.5
69.42990	15.1
70.22973	1.9
71.08629	4.6
77.03943	1.7
79.05489	46.6
81.07056	58.6
82.07345	2.5
83.08621	6.6
85.06532	3.7
91.05467	24.9
93.07043	64.5
93.07635	3.6
94.31920	1.7
95.04974	5.7
95.08604	44.9
96.08954	1.6
97.06521	4.0
97.10148	4.4
98.98464	86.3
99.08105	3.7
105.07019	21.7
105.19181	1.7
107.08595	39.9
109.06545	2.3
109.10155	23.5
113.09607	2.3
116.99496	3.0
117.07006	13.2
119.08584	24.5
121.10139	38.2
123.11690	11.4
131.08568	27.2
133.10124	13.3
135.11691	31.3
137.09628	4.4
137.13277	3.0
142.24220	1.7
145.10120	21.3
147.11659	15.5
149.09619	3.7
149.10728	1.9
149.13255	30.5
151.11064	2.6
151.14836	3.1
155.01042	90.5
159.11722	16.7
161.13275	10.1
163.14835	18.9
165.12727	4.3
173.13297	15.1
175.14838	2.2
177.16379	6.8
187.14856	9.4
201.16428	4.2
205.15724	1.7
233.22638	3.1
243.21086	37.0
261.22128	100.0
262.22504	5.1
397.34549	1.8
415.22339	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	415.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.3
51.81273	0.3
51.88430	0.3
53.03942	0.3
55.01867	0.7
55.05507	1.5
56.05043	0.6
57.03415	0.4
67.05499	1.9
68.05015	0.9
69.03426	0.5
69.07062	1.7
70.02971	0.4
70.06585	0.9
71.04985	0.6
71.59876	0.4
72.08142	0.5
77.03911	0.3
79.05484	2.4
80.05012	0.6
81.03407	0.9
81.07040	1.7
82.02946	1.1
82.06613	0.3
83.04993	1.0
83.08614	0.7
84.04501	1.0
84.23234	0.3
85.02903	0.7
86.06074	0.4
86.09702	0.4
88.03986	0.4
89.06037	1.0
91.05474	1.5
91.06007	0.2
93.07031	3.6
93.71046	0.3
95.04999	0.5
95.08599	1.4
96.04497	0.9
97.02824	0.4
97.06544	0.8
97.10178	0.7
105.07045	0.9
106.06544	0.3
107.04932	1.5
107.08590	1.0
109.10147	0.8
110.53469	0.3
115.05434	0.7
117.05733	0.9
117.06995	0.5
118.06542	1.5
119.08593	0.3
121.02895	0.3
121.10124	3.2
125.09575	0.5
128.06197	1.1
129.06985	5.8
130.05011	0.3
130.06494	4.7
130.07364	0.5
131.08571	1.2
132.08084	2.1
133.08594	0.6
133.10138	0.4
138.12773	1.4
139.11185	0.4
141.06981	0.6
142.06534	0.6
143.07292	10.9
143.08521	0.7
144.08078	4.7
145.06496	0.3
146.05998	1.8
147.08037	0.3
147.11676	0.4
148.11200	0.7
149.09610	0.9
154.06502	25.1
155.07314	1.6
156.08075	14.0
156.13834	0.5
157.08694	0.5
158.09637	100.0
159.10065	2.9
166.12253	2.6
167.07281	4.7
167.10658	3.1
168.08072	68.5
169.08850	3.8
170.06029	0.5
170.09631	6.6
172.07556	3.5
178.12177	0.3
179.08546	0.3
180.07996	0.4
182.09755	0.3
184.13335	3.1
186.09137	0.6
188.07071	2.1
193.12144	0.4
194.11748	17.4
195.12128	0.4
196.07550	3.9
196.13368	0.5
197.07832	0.3
197.10698	0.5
198.11449	0.4
198.94679	0.3
202.14383	0.5
211.13069	0.5
212.12799	22.7
213.13155	0.8
214.08604	32.3
215.08908	1.0
222.14873	0.4
228.15923	0.7
230.13799	0.7
240.12280	3.5
258.13351	9.6
258.25732	0.3
259.13657	0.5
324.19601	0.3
325.19025	0.5
343.20071	0.5
369.21741	0.8
371.19562	1.2
397.21088	0.6
415.17783	0.3
415.22238	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	415.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.3
53.96922	0.8
55.01864	3.2
55.05513	5.8
56.05037	2.5
57.03428	1.5
57.07080	1.1
59.05000	0.7
61.02916	2.0
65.03938	0.9
67.05499	4.5
68.99780	2.8
69.03436	5.2
69.07056	2.2
69.53535	5.4
70.06593	14.3
71.04969	1.2
72.08155	23.8
73.02908	1.0
73.15420	0.8
76.02208	0.8
77.03979	0.9
79.05485	12.7
81.03404	6.9
81.07050	13.8
83.04970	6.1
83.08620	0.9
84.04496	4.4
84.08141	8.6
85.02895	2.2
86.09705	18.5
87.00825	3.1
91.05445	7.4
92.82579	0.7
93.07047	21.0
94.89586	0.8
95.04967	4.8
95.08599	7.0
97.02898	4.9
97.06528	3.7
97.10153	0.8
98.98473	1.0
99.04453	1.0
102.05527	1.2
103.05454	2.0
104.04719	0.8
104.05375	0.8
104.10719	0.8
105.01851	1.1
105.07038	9.5
107.04955	22.8
107.08597	9.2
109.02876	9.2
109.06513	2.6
109.10162	2.1
110.07178	2.3
111.04477	1.4
112.11222	0.8
115.05444	1.2
115.08733	1.3
116.07023	0.9
117.07015	3.1
119.04932	1.7
119.08556	4.4
120.08102	3.6
120.08879	1.0
121.02918	1.0
121.06499	2.9
121.10142	44.8
122.10500	1.0
123.08088	2.3
123.11710	2.6
125.06003	4.4
127.03912	5.4
128.06198	0.9
129.01848	2.0
129.05450	1.0
129.06999	1.8
129.10216	3.9
130.04988	1.1
130.09615	0.9
131.04883	3.9
131.08560	3.6
132.10196	1.7
133.06467	3.1
133.07465	0.9
135.04404	1.0
135.08081	3.1
135.11711	1.0
139.11188	2.7
141.07065	0.7
143.11800	1.4
145.06505	1.9
145.10181	0.8
147.02963	0.8
147.08046	1.6
149.05962	1.2
149.09621	11.0
151.07552	1.1
157.06538	1.2
157.13361	1.3
161.09607	1.8
163.07520	2.8
167.10687	2.0
169.06517	1.6
171.11385	2.1
173.06065	0.9
178.07820	1.5
179.08551	3.0
181.06471	1.8
183.11665	1.0
184.07387	1.4
185.12881	2.5
187.11263	1.1
191.07007	7.1
201.09718	1.1
203.13962	1.4
207.08098	6.5
210.06851	1.7
211.11198	1.2
213.12425	2.9
225.09108	18.0
229.12206	1.8
231.17085	1.4
235.07655	1.3
237.09109	1.8
247.07527	1.1
253.12592	3.7
257.11783	1.3
261.09094	1.8
263.10855	1.1
271.13885	13.7
287.30240	0.9
291.10229	0.8
303.10223	1.0
339.09930	1.0
379.13293	1.1
387.54276	0.9
415.19403	100.0
416.19839	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	414.225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.3
55.05510	0.7
55.87269	0.1
56.05035	0.7
57.02576	0.1
57.03436	0.5
58.06627	0.6
60.08163	6.2
67.05502	0.3
68.05027	1.0
69.03445	0.2
69.07069	2.3
69.75920	0.6
69.76347	0.4
70.06593	2.0
71.04985	0.3
71.07374	2.6
72.08147	0.7
72.59299	0.2
74.06096	0.2
76.02221	0.3
79.05481	0.5
80.05031	0.4
81.07046	0.6
83.04975	0.2
83.08597	0.2
84.04490	0.4
84.08138	0.8
86.09705	31.7
87.10049	0.5
91.05465	0.3
93.07043	0.9
95.04957	0.2
95.08601	0.4
97.06540	0.3
97.10178	0.5
98.06055	4.0
98.98469	2.6
98.99435	0.2
103.05469	0.2
104.10740	3.4
105.07006	0.2
107.04288	0.2
107.04955	2.1
110.07170	0.5
116.07092	7.4
120.08107	0.4
121.10141	0.5
125.00003	22.7
129.10258	0.5
130.52716	0.2
131.04929	0.4
132.05714	0.3
133.06526	0.2
139.11156	0.6
145.06442	0.3
157.06523	0.2
162.02136	0.3
175.07483	0.3
179.04871	0.3
184.07338	100.0
185.07719	1.7
187.87251	0.2
201.79535	0.2
231.15894	0.9
273.16946	0.3
396.21375	1.2
414.17554	1.3
414.22467	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.8
55.05512	3.8
56.05027	8.7
57.03440	4.9
61.01147	2.4
65.03957	3.0
67.05499	4.8
68.05025	12.1
69.03442	13.1
70.06592	41.1
71.05000	6.9
71.58862	2.8
72.08154	21.8
74.06112	2.7
79.05493	7.8
80.05016	5.8
81.03416	16.3
81.07035	3.4
83.05003	2.8
84.04504	9.2
84.08155	17.8
85.02905	43.9
86.09702	51.7
87.10025	3.2
91.05472	100.0
91.67982	2.3
92.05809	3.8
93.07038	5.8
95.04976	6.6
97.02909	16.2
98.06053	33.9
99.04446	31.8
99.06366	12.1
102.05561	3.7
103.03944	67.9
103.05451	4.6
104.05337	3.8
105.07059	7.3
107.04951	55.9
107.05630	4.3
108.05299	5.2
109.02885	13.0
110.07181	5.6
115.05468	3.9
116.07088	66.9
117.07484	17.7
119.04974	3.9
120.08135	7.0
121.02883	6.3
121.06520	6.2
127.03915	79.3
129.07025	5.5
129.10260	9.3
130.05043	5.3
131.04921	10.7
133.06512	17.8
140.90390	2.8
145.04993	33.5
145.06474	6.6
147.07700	5.2
149.06053	4.2
163.06010	25.2
173.06018	3.1
183.14980	5.4
184.07396	8.9
184.51857	2.6
185.16478	3.7
187.06020	3.3
199.07561	3.5
207.08046	3.0
217.08678	3.2
219.08226	3.6
225.09186	3.0
225.27861	2.7
237.09172	5.9
247.07770	2.4
253.14279	2.9
261.09137	5.1
265.08701	2.8
352.75787	2.8
385.14627	3.4
397.14270	6.0
415.19516	91.3
416.20029	3.9
417.15491	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	414.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.4
56.05031	1.4
57.03433	0.7
58.06604	1.4
59.07387	0.4
60.08165	16.7
67.05502	0.8
69.07072	6.0
70.06590	2.4
70.64535	1.1
71.04988	0.5
71.06986	0.5
71.07378	6.0
72.08154	1.1
74.88106	0.3
76.02222	0.4
79.05484	1.1
81.07049	0.8
83.04967	0.5
84.04507	0.6
84.08138	1.4
86.09708	51.1
87.10030	0.7
91.05463	0.7
93.07049	2.8
95.08598	1.5
97.06535	1.1
97.10176	0.9
98.98463	4.2
103.82652	0.5
104.10745	100.0
105.11083	1.5
107.04963	1.5
110.07193	0.7
116.07070	0.7
120.08112	0.6
121.10149	1.5
123.26859	0.3
125.00008	27.8
129.10274	0.5
136.06184	0.7
137.29036	0.3
138.15639	0.3
139.11179	1.6
143.01125	0.4
162.87607	0.4
162.97198	0.3
166.94678	0.4
167.22241	0.3
179.04741	0.5
181.02574	0.4
184.07346	92.0
185.07727	1.4
186.07729	0.3
198.20334	0.4
229.14462	0.4
231.15866	2.0
258.10965	1.0
273.16949	0.6
320.77612	0.4
331.01169	0.4
396.21442	7.5
414.22525	22.6
415.18442	2.5
415.23499	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.05265	1.7
55.05510	23.0
56.96563	1.7
57.03436	8.6
57.07070	4.1
59.04989	1.1
67.05508	10.8
69.03430	1.2
69.06721	1.5
69.07070	20.0
69.59618	7.3
70.06593	6.3
71.05006	2.5
71.08617	2.0
72.08151	1.8
76.02242	3.1
79.05482	6.4
80.05843	1.0
81.03454	1.1
81.07052	14.9
83.04990	2.7
83.08622	19.7
84.04506	2.4
84.08141	4.0
84.08955	1.3
85.02906	1.1
85.06540	3.1
85.92211	1.0
86.09705	4.6
91.05461	2.4
93.07039	7.6
95.04969	2.0
95.08608	10.4
97.02881	1.2
97.06529	5.3
97.10170	15.0
98.97580	1.3
98.98480	2.5
101.05997	1.2
105.07011	1.2
107.04963	5.8
107.08585	9.7
109.02866	0.9
109.10152	4.4
111.04480	1.1
111.08080	3.6
111.11679	1.5
115.07549	1.1
120.08128	1.9
121.10136	7.8
123.04440	1.0
125.09610	4.7
127.03984	1.2
129.10275	1.2
131.04955	1.4
135.11647	1.5
145.10100	1.3
146.99602	1.3
162.02229	1.6
163.14839	10.8
181.15883	6.9
184.07375	1.6
199.16931	1.9
229.14395	1.3
242.21133	2.6
255.19566	2.8
273.20605	100.0
274.20844	4.8
332.44980	1.0
414.21790	3.5
414.28134	6.8
415.16696	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80370	0.2
51.02382	0.4
53.03943	0.9
55.01869	0.4
55.05507	1.5
56.96542	0.3
57.03434	0.4
57.07072	1.9
59.04991	0.5
61.02917	0.9
67.05509	0.8
69.03423	0.2
69.07063	3.5
70.04071	96.2
70.07833	0.2
71.03790	0.4
71.04390	0.3
71.04982	0.2
71.60191	0.3
73.02904	0.2
75.00037	1.3
76.99737	1.0
79.05476	2.6
81.03417	0.5
81.07046	0.7
83.04942	0.3
83.08616	2.5
84.04469	0.2
85.02895	0.8
86.06070	0.3
87.04460	0.3
91.03960	0.5
91.05481	0.4
93.07041	0.7
95.04961	2.7
95.06071	0.4
95.08598	0.4
97.02867	0.5
98.06013	0.3
103.05467	1.5
104.07092	0.4
105.04492	0.3
105.07027	0.6
107.04945	100.0
108.05259	1.3
109.10139	0.6
111.36144	0.2
115.05415	0.4
115.07586	0.6
116.06125	0.2
119.08508	0.3
121.06513	1.0
125.01528	8.5
129.00958	0.2
129.06998	0.4
130.07773	0.9
133.06477	0.2
134.07118	0.3
136.08653	0.2
139.03044	1.5
141.00987	0.4
145.67653	0.2
151.03079	3.1
155.02509	0.3
165.04640	3.4
170.04755	0.2
172.04526	0.6
179.06262	0.4
181.07704	0.2
197.07251	0.9
199.06947	0.2
213.07796	0.2
221.10915	0.3
259.69492	0.2
290.14157	8.6
294.10138	1.5
308.15207	75.4
309.15558	1.8
314.19461	0.4
386.65881	0.2
395.73318	0.2
396.27576	0.6
414.11472	2.8
414.19070	1.0
414.30646	0.3
422.96021	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.8
53.97176	1.4
55.01868	3.1
55.05511	24.3
57.03432	10.6
57.07059	4.6
62.06090	33.0
67.05500	10.6
68.09068	1.5
69.03410	2.2
69.07069	20.4
70.06590	5.8
70.78258	3.8
71.04990	4.0
71.08646	1.6
72.08157	2.3
75.04461	1.6
76.06954	1.5
79.05491	9.2
81.03409	2.5
81.07056	17.6
83.04967	3.1
83.08617	24.8
84.04518	2.9
84.08133	3.7
84.63062	1.5
85.02911	2.7
85.06540	3.4
86.09708	4.5
91.05484	3.6
93.07042	12.0
95.04940	2.9
95.08607	12.9
97.02875	1.7
97.06518	6.2
97.10179	13.1
98.98468	51.9
99.08045	1.9
105.07039	3.0
107.04958	14.9
107.08596	9.5
109.10139	4.0
111.08086	4.3
119.08585	3.3
121.10146	9.6
123.11678	1.8
125.09624	3.6
129.06990	2.4
129.09048	2.2
129.10214	1.8
131.04912	2.1
133.06474	3.6
133.10126	1.8
135.11673	2.0
139.11182	2.1
142.02751	1.7
145.06482	3.3
155.01048	63.8
157.06477	1.8
161.01482	1.4
161.05908	1.5
163.14825	16.1
172.95242	1.7
173.02084	12.6
173.05986	3.9
181.15868	14.1
184.07353	2.5
199.16977	4.0
208.70714	1.7
216.06396	2.5
225.08943	1.8
242.21146	8.9
253.17946	2.6
255.19528	16.2
273.20605	100.0
274.21170	3.0
297.16739	1.5
301.11676	2.0
335.16174	2.7
353.17242	25.9
385.14191	1.7
396.21399	3.2
414.18109	1.9
414.23114	1.8
417.19293	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01862	0.6
55.05508	0.8
56.05032	2.9
56.96569	1.3
57.03432	0.4
57.11276	0.3
58.32647	0.3
60.04512	0.6
60.08157	1.0
63.14734	0.3
66.15334	0.4
67.05501	1.2
68.05029	9.2
69.03433	0.7
69.07085	0.6
70.06592	8.0
71.04990	0.5
71.06931	0.4
71.19379	0.7
71.19739	0.6
72.04533	0.6
72.08168	1.9
76.02232	1.2
79.05495	1.6
80.05014	5.5
81.03440	0.6
81.07056	0.7
81.18755	0.3
83.04940	0.4
83.06124	0.3
84.04510	2.0
84.08141	2.9
85.02884	0.3
86.09706	5.4
87.10044	0.4
88.07617	0.6
91.05463	1.9
93.07033	1.2
95.04976	0.8
97.02879	0.5
98.06056	42.3
98.97576	0.8
102.05551	0.4
103.05465	1.9
104.10741	2.2
105.07020	3.5
105.11072	0.4
107.04957	25.4
107.08600	0.5
108.05294	0.5
109.10160	0.4
110.07175	1.8
115.05466	0.5
115.08661	0.3
116.07092	100.0
116.98630	1.2
117.07001	0.6
117.07473	0.4
119.04946	1.0
120.08100	1.1
121.02885	1.8
121.06467	2.0
125.00024	0.9
126.02422	0.4
127.03271	1.1
128.06215	0.4
129.07019	2.4
129.10236	1.8
130.04988	0.7
131.04942	6.5
132.05734	3.4
133.06491	9.1
134.99637	1.9
141.06885	0.3
145.06497	4.3
147.08054	0.6
149.05974	1.7
153.00650	0.4
157.06502	3.8
159.08092	1.1
162.02243	0.7
163.07547	3.2
175.07541	3.7
179.04793	1.1
184.07349	2.7
186.07800	0.6
205.08635	0.5
224.91371	0.3
226.99295	0.4
249.04370	0.4
251.10652	2.4
255.10231	0.3
263.10855	0.5
281.11975	0.5
311.13995	0.4
370.21533	1.2
414.18896	8.4
415.10605	0.9
415.19559	0.6
433.11423	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
56.05035	0.6
56.79564	0.6
57.11523	0.5
58.99580	11.9
59.69846	0.6
68.05008	0.7
69.90322	3.1
70.06590	3.3
72.46980	0.5
74.90430	0.5
76.02223	75.0
76.03986	1.8
79.05486	2.2
80.04994	1.0
81.03412	0.9
83.06094	2.0
84.04498	14.3
84.08131	1.2
86.09708	0.8
86.99053	4.3
87.04440	0.5
88.02230	1.2
91.05495	0.7
95.04978	1.6
95.06081	14.1
98.21460	0.6
104.33329	0.5
105.04504	0.6
107.04948	100.0
108.05263	0.9
112.08730	3.7
113.07063	0.8
114.03751	0.8
116.01673	16.7
123.04387	0.6
129.06670	0.6
130.04999	7.3
136.06194	2.2
137.06540	0.7
141.04825	0.5
142.03221	7.2
144.01135	10.5
144.02190	1.0
146.11801	0.6
150.42841	0.5
162.02200	33.1
162.04204	1.3
163.03891	1.0
170.02699	2.7
176.12877	0.9
179.04843	87.9
182.06357	5.7
187.05336	1.8
187.10760	0.8
215.04846	1.8
230.97911	0.6
233.05888	16.2
245.05904	3.4
256.67755	0.6
275.17709	0.9
282.10370	0.9
285.09097	2.9
290.07950	0.9
291.06454	2.0
304.20221	0.6
308.09091	21.8
339.10028	1.7
354.09439	0.6
367.22290	1.1
397.23264	1.4
414.13437	0.9
414.26038	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.6
56.05029	2.8
56.96577	0.8
58.06598	1.2
58.99587	1.6
60.04515	1.8
60.08163	14.4
61.02953	0.6
67.05510	0.9
68.00278	0.6
68.05050	1.0
69.03432	1.0
69.07070	2.2
70.06590	24.0
71.05017	0.6
71.06964	1.1
71.07360	5.5
71.57565	0.5
71.57967	1.0
72.08157	5.7
74.06094	1.6
76.02221	6.7
76.15479	0.6
80.04984	0.7
81.07047	0.6
83.06097	1.0
83.08614	7.7
84.04506	6.9
84.08141	11.4
85.02911	0.9
86.06086	1.1
86.09705	54.7
87.05596	1.3
87.10036	1.1
88.03995	1.2
91.05473	1.8
93.07064	0.7
95.06120	0.7
97.02868	1.4
98.97575	0.7
98.98473	4.3
101.07136	1.2
102.05554	1.4
104.10743	82.5
105.11060	1.0
107.04958	10.7
110.07181	4.8
111.08105	2.5
112.03992	0.7
112.08753	1.0
114.05521	0.9
116.01675	1.8
119.04908	0.7
119.82393	0.6
120.08091	1.5
122.24348	0.5
125.00003	25.3
125.00892	1.4
125.87527	0.6
129.10236	5.3
130.04973	2.0
130.06535	0.9
132.10184	0.6
133.06502	0.8
136.07559	1.5
139.07613	0.8
139.08662	0.7
142.03207	1.4
157.06059	0.8
162.02161	3.3
175.09685	2.0
179.04857	6.1
182.06412	0.7
184.07339	100.0
185.07745	1.2
216.03308	1.3
217.27710	0.6
230.08032	0.8
231.12256	2.7
233.06020	0.9
243.09021	0.7
258.11044	0.6
299.21573	0.7
308.09058	0.9
396.17703	4.5
414.18890	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22939	0.8
53.03932	1.0
56.30261	0.8
58.99590	13.4
70.77074	1.8
70.90187	0.8
76.02225	77.4
76.03984	2.7
84.04505	14.9
86.99036	3.3
88.02207	1.4
95.04963	2.0
107.04951	100.0
108.05293	1.4
116.01674	18.7
130.04993	7.6
130.80522	0.9
142.03210	7.1
144.01155	10.2
162.02196	28.3
170.02692	1.2
179.04851	66.5
180.05125	1.2
182.06306	3.8
187.05371	1.7
194.87897	0.8
215.04893	1.2
233.05893	12.5
245.05879	2.1
285.08939	1.3
291.06555	1.4
308.09116	14.5
339.09891	1.0
344.14276	0.9
346.41086	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.7
51.58873	0.5
56.05027	0.8
57.58308	0.5
57.98780	0.8
58.99283	1.0
58.99580	12.5
70.06581	4.4
71.57488	0.5
72.08155	0.9
76.02225	71.6
76.03997	2.7
79.05482	1.5
79.31248	0.5
83.06100	0.8
84.04501	15.0
84.08128	0.9
86.99052	2.5
88.02216	1.7
95.04976	2.0
99.05569	0.7
107.04949	100.0
108.05300	0.9
110.07212	1.0
116.01673	18.7
118.05112	0.6
129.06609	0.7
129.10263	0.9
130.05006	7.4
141.04825	0.8
142.03221	6.7
144.01134	11.2
144.36206	0.6
162.02196	34.5
170.02753	2.2
173.02956	1.0
179.04846	75.4
182.06371	5.0
186.52574	0.6
187.05423	1.2
188.03676	0.8
198.98618	0.7
215.04802	1.7
216.03389	0.8
233.05920	15.1
242.21490	0.6
245.05974	2.3
285.09048	2.4
291.06482	1.6
308.09106	16.8
339.09995	0.8
414.13269	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31773	0.5
53.03932	0.6
56.05043	0.6
57.98799	0.7
58.99586	10.7
68.60292	0.5
69.63309	1.4
69.63721	2.9
70.06599	3.7
72.08160	1.3
76.02229	78.8
76.03996	2.3
79.05468	1.0
80.05015	0.8
83.06137	0.6
84.04504	13.8
84.04966	1.0
84.08149	2.6
85.02918	0.6
86.09689	0.8
86.99049	3.9
88.02238	1.5
95.04962	1.8
107.04955	100.0
108.05289	1.0
110.07146	1.4
114.03777	1.1
116.01677	17.0
117.95822	0.6
126.90159	0.6
129.10258	1.6
129.71498	0.6
130.05019	6.8
136.06177	7.9
142.03226	6.2
144.01160	11.6
146.02621	0.6
162.02203	34.1
170.02699	2.3
179.04858	76.4
182.06339	4.2
187.05365	2.1
204.79776	0.6
215.04826	0.9
233.05904	12.9
245.05887	2.2
268.06345	0.6
285.09036	2.3
291.06448	1.7
295.38416	0.5
308.09103	17.4
318.51837	0.7
339.10086	1.3
428.61743	0.6
434.83392	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44218	2.1
53.03942	11.3
55.01851	6.4
55.05307	1.8
55.05509	22.9
56.96544	3.5
57.03179	2.8
57.03434	30.8
61.02918	6.0
63.33714	1.9
65.03934	3.4
67.05497	62.4
68.55709	2.2
69.03077	2.6
69.03426	47.8
69.07060	21.9
70.06582	2.5
71.04980	12.9
71.60134	3.9
71.60518	2.6
73.02901	4.3
74.56866	2.8
79.05486	44.5
81.03411	69.1
81.07053	79.4
83.04969	28.3
83.08604	13.1
85.02895	32.7
85.06550	3.1
86.09676	2.6
87.04440	3.5
91.03951	3.2
91.05475	35.2
93.07038	53.5
95.04961	16.7
95.08596	21.8
97.02885	34.5
97.06523	12.1
97.10157	4.5
99.04447	16.3
103.03938	3.9
105.07023	21.3
107.04939	13.9
107.08600	26.5
109.02859	18.1
109.06506	7.9
109.10144	7.4
111.04406	11.6
111.08060	10.4
117.06993	17.4
119.08559	14.1
121.06459	8.7
121.10120	14.1
123.04389	3.7
123.08043	5.3
123.11694	3.2
125.09607	3.5
127.03912	20.3
129.05440	8.1
129.06969	2.8
131.08549	16.5
132.78043	2.4
133.06404	2.9
133.10135	17.3
135.08026	6.3
135.11653	12.6
143.08546	3.6
145.04945	5.9
145.06459	4.8
145.10135	6.6
147.08047	3.3
147.11662	10.2
149.13257	25.8
151.11215	4.2
157.10083	2.9
159.11690	17.6
160.97334	3.0
165.12752	4.6
173.04678	2.9
173.13283	2.7
175.11174	3.4
177.12708	12.1
183.06534	4.9
189.11232	2.3
193.12196	3.7
195.13762	26.4
201.07559	3.0
208.33577	2.1
213.14862	7.6
219.13857	3.3
221.15329	3.8
226.12447	2.5
249.14832	4.3
251.16479	2.6
254.17879	2.5
267.15955	3.6
269.17499	16.9
275.16492	3.1
278.25839	2.6
280.07495	2.3
285.14731	2.5
293.17261	2.6
297.17010	3.2
303.15982	4.3
339.18045	8.3
358.95667	2.4
377.19504	3.3
395.20493	9.3
413.21600	100.0
414.22342	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56591	1.2
53.03935	2.5
55.01862	4.8
55.05496	4.3
56.05033	2.2
56.96552	2.8
57.03440	7.5
57.66353	1.2
57.88335	1.3
61.02905	3.8
65.03932	2.3
66.75003	1.4
67.05498	9.3
69.03126	1.8
69.03426	17.7
69.07047	5.5
70.06290	1.1
70.06593	11.8
71.04980	3.9
71.60159	2.1
72.08147	8.8
73.02901	5.3
79.05489	8.8
81.03411	17.5
81.07053	12.2
82.06557	1.9
83.04967	7.8
83.08646	1.6
84.04494	4.2
84.08116	5.1
85.02902	31.1
86.09711	8.9
86.13590	1.2
87.00817	9.5
87.04440	1.7
87.05576	1.5
91.03947	3.0
91.05476	100.0
92.05801	3.9
93.07034	8.8
95.04939	4.2
95.08592	3.6
97.02884	20.3
97.06506	5.2
98.97548	3.1
99.04436	7.1
99.08105	1.5
102.96941	2.7
103.05415	1.7
104.10704	3.5
104.94807	1.6
104.98472	2.3
105.01878	10.6
105.07021	11.5
106.06556	2.2
107.04942	15.3
107.08576	4.1
109.02872	9.7
110.06059	2.1
110.07185	2.1
111.04433	1.5
116.98524	5.0
117.06983	2.3
119.08614	3.0
120.08105	3.5
121.02837	3.9
121.06477	5.0
121.10115	2.2
122.06000	1.7
123.04411	2.1
125.00004	1.4
125.05984	4.2
127.03923	20.2
127.04820	2.5
129.01839	1.4
129.05484	2.2
129.10277	2.2
130.04994	1.3
130.06500	6.4
131.00139	2.0
131.04959	1.4
131.08557	4.3
132.97931	3.0
133.06488	3.3
133.10098	2.0
134.95876	1.9
135.11748	1.5
136.06177	5.7
145.04948	8.1
145.06456	2.6
145.10115	5.5
146.95872	2.2
147.04398	1.9
147.09151	3.1
147.11604	1.6
148.07578	8.8
148.97476	2.5
149.13222	3.5
157.10054	1.4
159.02831	2.8
159.08032	1.7
159.11662	4.4
160.97418	3.2
164.96927	5.5
166.08670	3.2
166.99985	3.1
171.07915	1.5
173.09598	4.2
176.96867	1.9
177.00728	1.9
177.12753	4.2
184.07327	4.1
185.07594	1.6
187.11154	4.4
188.96877	3.2
191.10649	1.6
195.13795	2.5
205.12206	2.5
215.10625	3.5
218.97960	1.5
220.99507	4.6
229.15567	1.6
231.05002	3.7
233.11818	2.7
234.99219	1.3
236.99040	13.1
237.02794	1.5
252.98531	1.4
255.00044	18.1
258.42880	1.3
260.00543	1.6
269.17371	1.8
299.20459	1.9
313.55588	1.5
327.03751	29.0
327.07458	2.2
328.03867	2.4
369.11389	5.5
375.87134	1.6
395.21573	2.0
396.12720	2.5
413.10242	11.7
413.17532	6.2
413.22208	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	412.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80273	0.6
53.03931	1.9
55.05497	1.3
56.05040	0.6
57.03433	1.0
67.05495	1.9
68.05003	0.8
69.03416	4.3
69.07043	0.8
70.06579	3.9
71.04990	5.1
71.59379	0.5
73.02955	0.6
79.05472	2.2
81.03407	1.3
81.07065	2.6
82.06582	0.5
84.04501	0.7
84.08153	0.6
85.02890	0.9
86.06059	52.9
86.09698	0.8
87.04459	32.1
88.07624	14.2
91.05472	1.4
93.07055	2.7
95.04967	0.8
95.06068	1.7
95.08590	1.8
96.08121	1.0
97.02880	0.9
97.06512	0.6
97.10159	0.8
98.06064	4.4
100.07609	4.7
104.07082	0.9
105.07004	1.0
107.04947	10.9
107.08563	0.8
108.05215	0.8
108.08113	1.0
109.06528	0.6
109.10133	0.8
110.09688	3.2
114.05540	0.7
119.08598	0.8
121.06429	1.0
121.10101	0.6
124.07568	0.9
125.38771	0.5
131.08521	0.8
138.09126	4.1
156.10190	64.0
159.11684	0.5
174.11243	100.0
174.97124	0.7
175.11522	1.2
177.12746	0.5
184.07397	0.6
184.13298	4.0
190.13397	2.8
258.16971	0.7
289.12411	0.8
291.19547	2.3
298.20111	1.7
301.07208	0.6
306.21609	1.7
359.51843	0.6
412.21619	1.1
412.26474	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	412.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49255	0.4
53.03925	0.5
55.01875	1.0
55.05505	3.9
56.05040	2.8
56.96547	0.9
57.03426	0.7
57.07059	0.6
61.29795	0.4
67.04266	0.4
67.05173	0.9
67.05504	13.1
68.05013	0.9
69.03114	0.5
69.03429	5.0
69.07063	4.4
70.02938	0.6
70.04102	0.5
70.06593	6.1
71.04982	1.2
72.04471	0.4
72.08127	0.4
79.05487	3.2
80.05032	0.5
81.03385	1.6
81.07057	4.5
82.06577	0.5
83.04994	1.0
83.08627	2.5
84.04499	0.8
84.08123	1.1
85.02876	1.1
85.18809	0.5
86.06064	18.9
87.04465	17.0
88.07634	0.7
91.05475	7.8
93.07033	4.9
95.04967	1.2
95.06075	0.5
95.08597	4.2
96.08111	2.4
97.02893	0.9
97.06549	0.6
97.10155	2.0
98.06050	17.3
98.21506	1.1
104.07113	0.5
105.07014	2.0
107.04934	3.4
107.08597	2.4
108.05281	0.5
109.06529	0.7
109.10146	8.0
111.08065	1.1
112.07601	5.8
116.07161	0.5
117.07008	1.1
119.08576	13.7
121.06595	0.9
121.10118	0.5
123.08074	0.6
123.10147	0.4
124.07583	10.2
125.09634	1.7
126.05495	1.0
130.08594	1.0
131.08585	0.7
134.11722	0.4
135.08032	0.7
136.07605	0.9
137.09607	32.3
138.05449	1.2
138.09019	0.4
140.07042	0.5
145.10214	0.5
154.12259	5.1
156.10254	3.7
158.08180	0.6
161.03049	0.5
164.07004	0.8
165.07474	0.5
172.13312	1.9
174.11255	4.7
184.13306	2.6
193.12245	1.4
200.04762	0.8
202.10687	0.6
204.13831	1.2
211.13293	4.1
222.14886	10.2
224.16611	0.6
226.14394	5.6
258.16998	100.0
259.17255	1.7
269.12421	0.6
272.12540	0.6
281.08063	0.6
291.19284	1.0
300.18143	2.7
306.20905	0.5
340.21295	0.7
369.09552	1.2
412.26865	20.0
413.11920	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	8.2
55.05498	7.8
56.05019	10.2
57.03435	16.6
59.04952	2.1
60.04521	6.2
60.08148	6.5
61.01126	2.4
61.02919	12.4
63.42001	2.2
65.89292	2.4
67.05490	9.3
68.05048	2.6
69.03425	30.3
69.07061	4.1
69.29680	15.8
69.30108	8.1
70.06593	82.3
71.01341	3.0
72.08156	24.3
73.02918	58.8
74.06060	3.8
79.05488	3.0
81.03400	7.1
81.07064	2.8
83.06126	3.9
83.08608	3.5
83.70018	2.1
84.04504	21.4
84.08144	47.6
84.42469	2.5
85.02905	100.0
86.06043	3.4
86.08881	2.9
86.09708	75.7
87.04472	4.6
87.05570	3.4
88.04005	5.7
91.03927	7.1
91.05463	8.3
93.07034	2.3
95.04972	2.5
96.04432	2.6
97.02284	3.7
97.02890	53.4
98.06052	2.3
98.98492	3.1
99.04445	4.8
103.03940	4.6
104.10744	36.4
105.07018	2.6
105.44650	2.3
107.04913	10.9
109.02919	11.0
109.10163	3.1
110.07163	27.4
110.09650	2.5
112.08730	2.8
115.03922	24.7
115.08691	3.6
116.07099	5.5
120.08101	13.6
125.00020	21.6
127.03913	35.1
127.78950	2.5
129.10231	23.4
130.04970	4.7
130.06438	2.8
133.04980	28.2
136.06187	5.8
136.07576	9.5
141.10172	3.9
145.04950	48.1
145.06059	1.7
146.92046	2.4
147.09171	6.2
148.09508	5.4
155.11804	2.6
157.13362	4.3
163.06030	21.9
184.05789	4.6
184.07339	66.1
186.07385	2.5
186.12318	3.0
191.08107	5.5
192.08485	6.1
195.31783	2.2
199.14474	2.9
215.08734	2.4
223.06030	5.8
241.06993	7.4
251.14972	2.3
259.08115	8.4
263.14917	4.6
271.15384	6.4
282.15225	6.0
293.13486	2.7
326.14108	11.2
353.20554	2.6
394.20123	2.8
412.20258	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	412.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.6
56.05024	1.1
57.03438	0.8
58.06616	0.5
60.08163	6.7
61.02922	0.4
67.05167	0.4
67.05505	3.9
67.05858	0.1
69.07071	0.3
70.06590	3.6
70.84123	0.6
71.07376	3.0
72.08157	1.1
73.02897	0.4
79.05508	0.4
81.03448	0.4
81.07063	0.7
83.08630	0.5
84.04504	0.9
84.08147	2.2
85.02914	0.6
86.09705	33.9
87.10046	0.6
88.03989	0.3
91.03935	0.2
91.05470	0.7
93.07018	0.3
95.08553	0.3
97.02920	0.5
98.98469	3.0
100.12336	0.2
102.05554	0.3
103.05434	0.3
104.05327	0.6
104.10743	5.6
107.04967	0.9
107.08604	0.3
109.10159	2.4
110.07148	1.0
112.57859	0.2
116.07127	0.3
119.08638	0.3
120.08110	1.9
125.00002	24.9
129.10251	0.9
130.05028	0.4
131.04904	0.3
143.01018	0.4
149.10733	0.2
156.07813	0.2
173.11739	0.3
184.07338	100.0
185.07617	0.9
191.08151	0.4
192.08522	0.4
229.14375	0.8
235.10869	0.4
247.61920	0.2
262.09421	0.3
271.15335	0.8
271.18674	0.3
290.59158	0.2
394.14453	0.2
394.19827	1.2
412.15942	0.4
412.20801	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	412.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65811	1.0
55.01891	1.3
55.05508	13.8
57.03438	5.8
60.08147	1.6
62.06089	46.8
65.03925	1.3
65.40907	1.1
67.05505	28.1
69.07066	12.2
70.09931	2.7
70.10345	3.8
71.04998	5.7
71.07355	1.4
75.04478	1.2
79.05493	16.5
81.07057	42.3
82.74995	1.3
83.04976	3.3
83.08621	6.7
85.06551	2.1
86.09684	4.5
89.09741	1.2
91.05477	14.1
91.16499	1.0
93.07037	15.5
95.04981	2.0
95.08606	49.7
97.06524	6.2
97.10140	2.3
98.06062	3.0
98.98469	26.7
99.08063	2.2
100.18071	1.3
104.10730	6.8
105.07029	14.6
107.04926	4.3
107.08594	7.6
109.10162	5.8
111.08057	2.3
119.08586	16.1
121.10126	2.8
123.08052	2.7
124.01581	2.7
124.99965	1.8
131.04906	1.8
133.10098	7.8
135.11700	3.4
137.09518	1.5
138.52940	1.4
142.02605	1.7
155.01039	13.1
161.13266	20.5
162.39517	1.2
173.02112	5.2
179.14307	48.5
184.07321	5.9
198.05199	1.8
216.06320	3.4
222.18507	12.9
237.60054	1.6
240.19676	2.2
246.60445	2.2
253.17979	100.0
271.19034	22.7
296.22202	3.9
333.14627	12.7
366.11774	2.0
376.18814	8.9
394.19806	12.6
405.50812	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71298	0.5
57.07071	100.0
58.07407	0.8
69.07058	3.3
70.04073	56.1
70.07369	0.6
79.05456	1.2
79.88996	0.6
81.07057	4.9
91.05504	0.6
105.07015	0.7
109.06524	1.0
115.07569	0.8
117.01092	0.6
123.11687	1.0
126.96966	0.5
137.05974	0.6
138.62236	0.5
145.04149	7.3
150.10277	1.0
151.11183	1.7
173.03618	6.7
199.06950	0.9
200.07315	0.5
229.09889	91.9
230.10258	1.5
233.68985	0.6
298.13135	36.6
299.13425	1.0
307.33078	0.6
334.66019	0.6
394.16959	0.7
412.19894	2.4
415.89709	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.7
55.05259	1.1
55.05510	12.0
57.03439	7.2
67.05503	17.3
69.07067	11.0
70.77076	2.1
71.04999	3.4
73.06548	0.9
74.34365	0.7
79.05486	7.6
81.07056	31.2
83.04961	1.9
83.08610	7.4
84.06361	0.7
85.06541	3.2
91.05486	7.6
91.42236	0.6
93.07045	6.4
95.04980	0.9
95.08604	30.0
96.08969	0.7
97.06522	5.2
97.10172	1.7
98.98495	3.3
99.08081	1.7
105.07027	7.0
107.08589	2.7
109.06528	0.7
109.10146	4.3
111.08068	2.0
119.08575	7.0
121.10130	1.2
123.08068	1.9
125.09608	0.8
133.10115	5.3
135.11644	2.1
137.09596	1.4
137.13245	2.2
161.13254	9.9
163.74223	0.6
173.02057	0.8
179.14325	7.7
216.06412	0.8
240.19550	1.1
253.17926	2.2
271.19028	100.0
272.19357	2.2
302.19736	0.8
377.07245	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	100.0
57.98983	0.5
58.07412	0.5
68.30634	0.5
68.97798	0.5
69.07063	2.1
69.66283	2.7
70.04073	55.5
70.58887	0.5
79.02573	0.5
79.05490	0.8
81.07058	3.9
91.05467	0.7
93.07022	0.8
95.08634	0.5
98.21473	0.9
109.06505	1.0
123.11739	1.0
133.10170	0.6
133.16553	0.5
139.71840	0.5
145.04129	7.8
150.10233	0.7
151.11176	1.2
173.03654	5.5
201.10495	0.7
229.09886	88.3
230.10229	2.1
250.55267	0.6
288.35648	0.5
288.74850	0.5
298.13153	34.3
299.13596	1.1
412.20181	2.3
413.19885	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	1.0
56.96564	0.8
70.06587	4.4
71.36263	1.0
72.08150	0.8
74.00666	19.4
76.03592	1.0
76.04005	16.0
76.04442	0.9
79.05486	1.3
84.04505	9.0
84.08147	1.8
86.09705	1.5
88.02196	0.6
95.04961	1.3
98.97572	0.9
101.07184	0.5
102.00111	4.7
107.04955	100.0
108.05300	1.6
110.07164	1.2
116.98602	1.5
120.01153	3.9
120.08125	0.8
128.98596	0.9
129.10242	1.2
130.05017	3.2
131.02759	1.1
133.06482	1.7
134.06847	1.0
136.06219	2.7
139.03239	5.3
140.01668	0.7
141.04813	0.6
146.99657	0.7
147.06741	0.6
152.08159	0.5
159.02226	1.3
163.02098	0.8
167.02748	3.7
177.03294	50.7
178.03603	0.5
185.03819	7.9
186.02267	1.1
213.03278	10.1
231.04327	12.5
237.02806	1.2
238.03166	0.6
246.07564	0.5
283.07501	0.8
288.06546	1.6
337.08524	3.6
349.17029	0.6
394.10678	1.7
412.09930	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3623
Annotation	7-Dehydrofucosterol
Peak:m/z	Relative Intensity
55.05510	16.6
57.07070	21.4
60.51564	6.1
65.77634	6.1
67.05509	16.8
69.07068	34.7
70.84764	18.1
71.08626	23.5
81.07058	29.7
83.08612	18.5
91.05476	21.4
93.07044	26.6
95.08621	41.8
97.06566	9.6
105.07022	28.8
107.08603	21.3
108.53490	7.6
109.06499	14.6
109.10171	23.9
117.07020	9.4
119.08614	13.7
121.10175	24.0
124.28207	7.1
131.08562	19.7
133.10135	24.1
135.11690	11.8
143.08582	12.3
145.10132	23.3
147.11656	10.1
155.08559	10.9
157.10146	20.4
159.11685	22.1
163.11154	7.7
165.12750	9.8
187.14870	10.0
221.18945	6.8
239.17885	10.1
253.19669	8.2
257.18976	8.8
278.17007	6.8
299.27014	9.4
319.26340	30.8
369.48380	7.9
393.35052	24.6
398.15009	6.7
411.31628	8.8
411.36310	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33419	1.9
55.05510	4.5
57.07066	5.1
58.68512	1.6
58.82634	1.6
67.05488	5.0
67.21903	1.8
69.07069	42.0
69.60180	6.1
69.60604	8.3
76.96153	2.3
81.07057	12.5
83.08598	10.2
91.05470	5.0
93.07041	2.7
95.08610	8.4
97.10139	2.8
98.21539	3.3
105.07023	7.0
107.08584	5.0
109.10136	7.1
117.07030	8.1
117.08466	1.9
119.08608	6.7
121.10120	3.1
123.11736	2.6
125.13238	2.9
128.37701	2.3
129.06993	2.5
130.07761	2.4
130.98453	1.8
131.08545	3.3
135.11711	3.7
145.06465	4.0
145.10133	21.4
147.08031	10.2
147.11621	3.0
149.09590	2.6
155.08560	4.4
158.07281	11.6
159.11691	3.0
171.08150	2.4
171.11618	2.5
173.09619	100.0
174.09950	2.6
175.11153	20.6
185.13423	2.5
187.11264	2.6
189.09082	2.6
191.08934	3.6
191.10664	74.6
213.12772	6.2
215.14337	7.9
227.14351	3.2
231.13730	3.1
239.17905	2.5
253.97299	2.0
257.19086	2.7
267.17477	3.3
269.19070	2.5
323.23785	2.7
379.09470	2.1
393.31332	27.4
394.32010	3.8
411.32236	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	411.3619
Annotation	7-Dehydrofucosterol
Peak:m/z	Relative Intensity
53.64283	6.0
55.05498	19.4
57.07077	35.7
61.35595	5.2
67.05492	16.7
69.07068	31.8
69.62955	34.1
71.08626	29.6
79.05475	19.0
81.07056	43.3
83.08613	18.0
85.10189	17.2
88.97394	6.6
91.05470	26.3
93.07047	38.5
95.05010	8.1
95.08605	47.7
97.10192	9.2
105.07021	36.8
107.08591	35.3
109.10147	22.0
111.11714	6.9
112.96870	5.5
117.06994	20.0
119.08570	30.1
121.10143	21.9
123.11694	11.4
129.06978	12.1
131.08560	40.7
133.10139	21.6
135.11673	15.2
142.07762	9.5
143.08537	35.2
145.10110	65.4
147.11694	23.4
151.06993	6.7
155.08571	23.2
156.09338	6.3
157.10117	55.0
159.11684	79.7
169.10127	16.5
171.11647	16.0
173.13322	19.8
175.04492	14.2
183.11665	29.8
185.13289	13.1
187.14835	36.0
197.13210	23.6
199.14819	8.0
202.37497	7.0
205.15807	6.8
211.14749	15.3
213.16389	10.0
225.16328	12.2
229.15860	8.1
239.17914	47.2
253.19521	20.2
257.19019	44.3
265.61533	6.6
271.20496	13.2
299.27353	20.0
393.35162	59.6
411.36429	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.362
Annotation	7-Dehydrofucosterol
Peak:m/z	Relative Intensity
55.05500	8.2
57.07052	10.4
65.07864	6.1
67.05500	7.7
67.82280	7.3
71.10306	19.4
79.05478	11.5
81.07047	21.0
93.07055	9.2
95.08604	22.4
105.07032	13.1
107.08585	16.9
109.10095	9.8
114.46347	8.7
119.08576	17.8
131.08511	10.7
145.10091	24.7
147.11705	9.2
159.11604	11.4
165.23805	6.1
199.14636	10.5
201.16328	15.4
225.16179	8.5
239.14249	7.1
239.78581	7.3
257.18976	13.1
271.20758	10.3
295.24109	16.4
309.25751	11.2
313.25226	31.8
353.23407	7.1
357.63019	8.1
393.35199	17.6
411.18497	16.1
411.36176	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19426	0.8
55.05516	5.4
57.07072	5.0
67.05506	4.8
69.07066	42.1
70.77819	1.3
70.78156	1.9
71.08640	1.1
72.39468	0.8
79.05479	2.5
81.07059	8.6
83.08610	8.8
91.05478	3.0
93.07040	3.5
93.77879	0.9
95.08591	5.7
97.10152	2.5
105.07042	4.2
107.08599	5.0
109.10150	4.4
117.07029	4.9
119.08564	3.3
121.06503	1.3
121.10140	3.1
123.11708	2.7
125.13250	2.5
128.06172	1.1
129.07004	1.7
130.07777	3.4
131.08589	1.1
133.10135	1.6
135.08073	1.6
135.11688	3.0
137.13292	2.2
143.08559	2.7
145.06476	2.3
145.10126	15.1
147.08051	7.5
147.11655	1.8
149.09627	3.3
149.13281	2.2
154.07693	1.1
155.08571	3.0
158.07245	10.6
159.08015	1.4
159.11703	1.2
160.08897	1.1
161.09641	2.6
169.10027	1.0
171.08087	2.2
171.11703	1.0
172.08871	1.0
173.09625	100.0
174.10034	1.6
175.11186	21.1
185.09547	1.0
187.11212	3.9
188.72423	0.9
189.09134	2.5
189.12766	2.2
191.10667	83.6
192.10991	1.6
194.76796	0.9
199.11166	1.6
201.12787	3.0
210.01456	1.0
213.12747	8.4
215.14293	9.4
217.12216	0.9
227.14310	2.2
229.15985	1.0
231.13739	2.1
241.15889	1.4
245.87018	1.1
267.17496	2.2
269.19077	2.0
323.23676	3.9
393.31491	36.9
394.32028	1.8
411.32510	31.1
412.33112	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3255
Annotation	6-Geranylgeranyl-2,3-dimethylbenzene-1,4-diol
Peak:m/z	Relative Intensity
55.01855	2.0
55.05512	34.7
56.96558	2.9
57.07081	11.1
65.03958	2.3
67.05505	18.2
68.61539	1.8
69.03400	2.0
69.07067	57.4
69.95108	8.5
69.99021	1.9
70.06566	3.0
72.08176	2.4
79.05490	17.1
79.05910	2.6
81.07057	33.7
83.08620	34.7
86.09735	6.6
91.05480	21.9
93.07034	21.4
95.04992	3.6
95.08608	24.7
96.08943	2.0
97.06535	2.5
97.10164	14.2
98.98447	4.3
103.05463	1.8
105.03389	3.4
105.07040	28.0
107.04956	49.2
107.05621	3.9
107.08596	11.4
109.06528	4.6
109.09456	3.3
109.10161	27.7
111.11742	5.6
115.05443	4.0
117.07024	12.1
119.04962	5.8
119.08607	15.9
121.06511	39.0
121.10155	6.5
123.08136	2.6
123.11713	13.4
124.99998	2.2
125.09627	2.2
125.13287	7.1
129.06996	10.2
131.04922	3.7
131.08565	18.3
133.06496	13.0
133.10147	9.7
135.08025	9.6
141.07010	3.1
143.08569	11.4
144.05696	2.5
144.09377	3.0
145.06496	5.0
145.10132	26.7
147.08040	11.5
147.11696	18.0
149.09641	3.4
155.01157	2.6
155.08669	4.6
157.06505	4.5
157.10152	11.3
159.08055	57.4
159.11687	14.3
161.09650	7.8
161.13278	3.7
165.16383	2.4
169.10130	4.6
171.08063	4.8
171.11678	5.5
173.09633	25.9
173.13239	15.5
175.11194	63.7
176.11525	2.7
177.12961	1.9
179.17970	4.5
183.11760	8.4
184.07408	7.7
185.09688	3.0
185.13274	10.2
187.11218	7.8
187.14891	9.7
189.12791	4.1
195.11792	3.1
197.13358	5.0
199.14915	5.6
199.79968	1.9
201.12744	63.7
202.13188	3.1
203.14368	6.9
207.11691	2.7
209.13324	6.6
211.11165	2.6
211.14922	5.5
213.12714	4.4
215.14320	38.0
219.13896	8.3
227.14285	9.8
229.15932	5.3
231.13857	6.6
233.15338	34.3
235.07648	2.7
235.14912	2.7
239.18076	4.9
245.15388	16.8
247.17043	3.1
249.16599	2.8
251.17886	3.6
257.19034	5.1
259.16986	4.1
261.09381	2.7
267.17542	4.6
269.19217	5.5
271.16953	2.9
285.15872	2.4
285.18430	10.6
287.20038	100.0
288.20575	2.9
291.21259	3.6
299.20395	4.6
299.23840	7.2
301.21588	17.7
313.21609	23.5
315.23279	26.2
327.23169	25.0
329.24805	4.0
341.25031	9.6
355.26367	3.6
375.30563	2.7
393.14703	2.7
393.31781	11.9
411.15903	8.5
411.20633	4.2
411.32742	98.0
412.32919	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	411.1989
Annotation	diflorasone
Peak:m/z	Relative Intensity
53.03916	0.4
55.01880	0.6
55.05496	0.7
56.05018	0.5
56.96555	0.6
61.71772	0.3
67.05492	0.5
69.03419	1.1
69.07041	0.6
70.06590	4.1
70.55279	0.7
72.08161	2.1
74.06082	0.4
74.98129	0.4
79.05531	0.4
81.03412	1.1
81.07046	0.4
81.35573	0.3
83.04946	0.4
84.04504	1.0
84.08127	1.6
85.02885	1.4
86.09703	2.0
91.05464	1.6
93.87597	0.3
95.04958	1.2
95.06097	0.7
95.08582	0.5
97.02866	0.7
102.05516	0.4
105.07025	0.6
107.04942	4.3
107.08643	0.4
109.02868	0.7
110.07159	1.0
116.98616	0.6
119.04940	0.8
120.08096	0.9
121.06583	0.4
121.10154	0.5
123.04432	0.4
128.98611	0.4
129.10236	1.3
131.04922	0.4
133.08592	0.4
136.07573	4.5
137.05978	0.5
141.04405	0.4
143.05637	1.1
143.08278	0.4
145.10077	0.5
146.99661	0.4
147.04385	0.9
147.09157	2.6
163.03906	2.8
164.07060	1.9
170.59200	0.4
177.00786	0.6
191.08203	3.1
203.05238	0.7
207.06462	0.4
249.15077	0.4
256.15637	0.6
273.14899	0.7
281.14969	1.6
287.17593	1.1
287.59534	0.5
301.14288	0.6
325.13995	3.4
352.19952	0.5
375.18106	0.6
394.12686	0.7
411.19885	100.0
412.20145	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	411.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89197	1.1
53.03942	2.1
55.05508	2.6
56.96557	2.8
57.03427	1.4
61.02914	1.6
67.05496	13.3
69.03427	1.4
69.07048	1.9
70.06598	2.9
70.22746	3.2
70.23162	2.2
77.03920	1.7
77.21941	1.3
79.05493	3.5
80.04991	2.0
81.03407	2.6
81.07050	4.6
83.08630	1.9
84.08146	1.6
90.29228	1.3
91.05479	5.1
93.07032	4.9
94.06565	10.0
95.04967	4.2
95.06081	5.7
95.08595	2.9
96.08089	1.4
98.20863	1.6
105.07030	2.1
107.04945	73.8
107.08584	1.9
108.05280	9.8
108.08157	1.9
109.10143	3.1
116.98631	1.5
117.06969	1.3
119.08565	2.7
120.08096	4.4
121.10098	1.6
122.06024	33.2
124.07569	7.0
136.07564	77.1
137.07957	2.6
138.09142	4.1
145.06505	1.4
145.10133	1.3
152.07085	3.6
158.97717	3.9
164.07053	100.0
165.07422	2.7
166.08643	9.0
170.08105	3.6
173.85986	1.3
174.10185	2.7
182.08110	46.0
184.09637	2.3
187.09360	1.8
203.08839	1.2
212.10616	7.2
216.10139	1.6
219.07646	1.6
226.12285	4.6
228.10155	3.2
229.10538	2.1
245.12871	1.4
247.08247	1.4
254.11772	2.6
256.09760	3.1
257.10028	2.3
258.11240	2.2
258.16968	2.6
269.18314	2.1
271.11993	26.0
272.12762	26.4
273.13184	4.1
274.10690	4.8
275.11105	6.5
276.12189	5.0
285.09973	1.8
286.19241	1.7
287.13919	8.8
287.19363	4.1
290.13751	4.5
304.20193	4.1
305.15097	2.4
305.20444	14.5
348.15860	1.6
393.18097	13.8
411.18982	4.2
411.24509	19.2
411.29407	1.9
412.26926	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
55.01859	2.2
57.03440	1.7
67.05484	3.3
69.07063	2.4
69.80116	4.2
69.80517	2.4
70.06590	2.7
79.05468	5.3
81.07047	3.6
84.08138	1.6
86.09707	1.3
90.27687	1.1
91.05472	7.6
93.07025	4.1
95.04984	6.0
95.08598	2.3
98.98457	2.4
100.57345	1.2
103.05468	10.7
104.10716	1.3
105.07043	6.7
107.04956	100.0
107.08553	2.3
108.05299	1.5
109.10145	1.9
115.05458	4.4
117.07005	3.6
119.04945	5.7
119.08570	1.6
121.02878	3.4
121.06509	15.9
121.10067	1.1
129.07013	2.8
131.04932	43.6
131.08556	2.8
132.05688	3.6
133.06445	5.7
133.10124	1.9
141.06985	2.2
143.04883	2.0
145.06503	10.0
145.10164	5.7
147.04446	2.0
149.05997	6.6
152.39003	1.2
155.01057	3.1
155.08472	1.2
157.06490	5.9
157.10065	2.1
158.10197	1.1
159.11691	4.0
165.07011	4.4
169.06467	3.1
169.10138	1.5
171.11610	1.4
173.13254	1.4
178.07770	6.3
179.08527	4.8
181.06487	2.2
184.07324	1.9
189.07021	4.2
190.07784	7.5
191.08514	3.5
195.08037	2.7
197.05988	1.9
197.13153	1.3
202.07790	9.0
203.08508	8.3
204.09270	2.5
205.06456	2.6
205.10103	4.9
206.07274	3.1
207.08087	7.1
210.06758	2.5
215.08568	11.5
216.09413	3.3
217.10150	1.8
218.07265	9.5
219.08055	10.6
220.08708	2.2
221.09618	5.6
223.07501	2.2
226.07736	3.1
227.08545	2.6
228.09348	1.9
229.10036	2.1
231.08067	10.0
232.08748	3.9
233.09605	18.1
234.06757	2.2
235.07545	19.7
236.08203	1.5
237.09024	4.7
239.08589	3.6
239.17882	2.0
240.09326	1.2
241.10143	2.4
243.08061	10.4
244.08810	4.9
245.09639	10.1
246.06795	1.4
247.07591	6.0
248.08362	2.6
249.09140	9.1
250.09865	3.1
253.08438	12.1
255.08055	3.6
256.08905	3.7
257.09637	7.1
257.19220	2.6
258.10501	1.4
259.07520	4.8
259.11145	5.6
260.08337	2.7
261.09113	38.1
262.09900	11.5
263.10620	8.0
267.10428	1.4
269.09570	4.9
271.07535	1.8
271.11105	2.4
272.08344	2.4
273.09140	7.3
274.09775	1.2
275.10681	9.8
277.12082	1.6
279.10165	10.9
281.09579	2.4
284.08743	1.2
285.09055	4.8
286.09897	5.3
287.10696	12.8
291.10153	8.9
299.10675	5.5
305.11917	2.3
307.10995	2.2
311.10504	1.3
317.11758	4.1
318.10355	1.8
319.11063	3.4
321.09213	1.8
322.09894	1.4
324.11465	1.5
330.10532	1.2
331.11172	2.7
332.11862	2.5
333.12753	2.0
334.09860	3.2
335.10660	1.7
336.11584	1.6
337.12183	1.6
345.08932	1.8
347.10669	3.4
347.14377	3.3
348.11285	1.8
349.12219	3.0
350.12967	2.2
351.09940	2.6
351.13922	1.8
352.11072	1.7
353.11636	2.6
357.12735	2.3
359.10590	2.9
360.11462	4.4
361.12100	2.1
363.09906	2.0
363.13870	2.8
364.10876	2.3
365.11691	23.6
365.15674	1.6
367.13318	2.3
375.13712	7.4
377.11761	2.3
378.12469	3.4
381.14981	9.6
383.16336	2.0
393.14813	17.7
393.19238	2.4
394.15448	1.6
411.15836	51.6
411.28317	1.8
412.16180	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1524
Annotation	Tyr Asp Asn
Peak:m/z	Relative Intensity
55.01848	0.3
55.05511	0.6
56.37857	0.3
56.96535	0.6
57.03418	0.8
59.04949	0.3
60.05626	0.7
61.02898	0.4
62.53702	0.4
67.05499	0.9
69.03407	0.5
69.07063	0.7
70.06582	0.9
72.08149	0.6
79.05479	1.5
81.03403	1.0
81.07037	1.4
84.08150	0.4
85.02892	1.3
85.25739	0.3
86.09690	0.5
86.31366	0.4
91.05453	0.8
93.07041	0.9
95.04979	0.8
95.06133	0.4
95.08605	0.5
97.02880	0.7
97.06554	0.4
105.06985	0.7
107.04945	3.7
107.08572	0.6
108.05268	0.5
109.02855	0.6
119.08580	0.4
121.06470	0.5
121.10113	0.4
133.10103	0.4
137.02357	0.5
137.09517	0.4
138.85141	0.4
144.08063	0.5
144.21227	0.4
160.22517	0.3
163.03970	0.4
204.06392	0.4
226.04752	1.0
236.14775	0.4
258.07318	1.0
285.09891	0.4
311.04904	0.5
311.13446	0.4
316.05331	1.9
317.05518	5.1
325.02838	0.4
333.13208	0.4
369.11963	0.4
375.06485	0.6
379.12616	4.8
383.06772	0.9
383.15817	0.9
411.15204	100.0
412.15524	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	411.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14778	3.1
53.03936	5.1
55.01865	6.4
57.03445	4.4
58.51476	3.2
67.05509	5.2
69.85813	5.8
69.86230	14.0
70.06595	7.0
72.08174	4.6
75.33170	4.2
79.05480	6.0
81.07061	3.5
91.05481	16.9
93.07074	7.1
95.05000	7.3
95.08635	7.0
97.42352	3.4
98.20827	4.9
103.05466	15.7
105.07051	9.9
107.04962	79.7
115.05437	25.2
117.07046	17.9
121.02946	4.1
121.06509	13.0
128.06247	18.8
129.07016	63.0
131.04942	53.3
131.08519	10.1
132.05766	5.9
133.06500	12.3
141.06984	27.4
143.08542	6.9
144.05705	6.1
145.06482	61.6
145.10120	8.7
149.05940	6.6
153.07031	6.7
155.01054	6.8
157.06500	100.0
165.06995	12.0
166.07803	8.2
167.08534	6.2
168.05800	4.2
169.05176	7.0
169.06494	76.0
178.07785	11.3
179.08446	6.4
181.06540	4.5
181.10054	6.2
183.07996	4.6
187.07527	9.3
189.07037	13.1
190.07730	17.2
191.08562	17.9
194.07274	8.5
195.08189	5.4
202.07838	10.9
203.08565	12.1
204.09396	5.4
205.06528	8.5
205.10216	7.4
206.07304	7.7
207.08040	13.3
209.05899	4.4
209.09612	10.8
215.08618	23.6
218.07260	15.3
219.08104	38.9
221.06065	5.1
221.09648	8.4
222.06812	4.5
223.07539	10.5
225.09055	5.9
227.08424	4.5
231.08141	18.9
233.09673	27.2
234.06732	5.3
235.07567	45.5
236.08331	6.1
237.09100	79.8
241.10152	4.1
242.07346	4.1
243.05841	4.0
243.08157	16.0
244.08856	10.4
245.09575	14.1
246.91240	3.6
247.07578	12.5
248.08453	5.5
249.09186	28.4
250.09792	6.0
253.08577	8.4
257.09610	4.2
259.07568	10.5
260.08466	3.9
261.09106	77.1
262.09833	14.9
263.10739	9.3
273.09064	4.6
275.10669	10.4
279.10168	9.9
285.08987	3.9
287.10712	8.7
291.10068	6.7
299.10815	5.6
319.11346	4.7
331.11206	9.5
332.11905	6.3
335.10654	7.6
347.10474	5.7
347.14432	7.3
365.11224	17.3
365.15802	19.0
367.13248	6.9
375.13748	18.5
378.12494	7.6
381.14911	27.6
383.16516	8.2
393.14737	42.4
411.15842	66.7
411.20660	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	411.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03414	0.4
70.23834	0.8
83.01452	0.2
85.02879	1.0
87.06701	2.1
97.02879	0.5
98.97581	0.5
107.04945	11.5
116.66443	0.2
116.98594	0.3
122.31094	0.2
127.03920	0.3
143.05632	100.0
144.06003	0.6
145.01758	0.3
158.99699	0.3
163.02744	0.5
177.00722	0.4
186.09535	0.3
187.02826	0.3
203.00134	0.2
205.03902	0.3
237.02907	0.4
239.11330	0.3
272.28281	0.2
288.12186	0.2
295.06760	0.3
305.10883	12.6
306.11270	0.4
352.19666	0.3
353.07513	0.5
426.00458	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.151
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06581	0.3
61.02901	0.2
69.03423	0.4
71.55137	0.2
79.05505	0.3
81.03427	0.2
85.02899	0.9
86.09690	0.2
87.06718	2.9
94.12608	0.2
95.04967	0.2
97.02927	0.3
107.04957	10.1
141.04051	0.3
143.05644	100.0
144.06041	0.5
166.09752	0.2
193.10840	0.7
198.15915	0.2
239.11461	0.9
249.09993	0.2
305.10916	9.5
314.17279	0.2
352.19174	1.3
353.46164	0.2
411.09268	0.4
411.27231	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.151
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	1.4
60.04500	0.5
62.07666	0.4
70.06600	2.5
71.58681	0.8
71.59064	0.5
72.93785	0.6
77.66581	0.6
79.05495	0.5
84.08125	0.5
85.02908	1.9
87.06698	2.2
91.05491	1.0
95.04973	0.7
97.02914	0.7
102.05527	0.7
107.04948	20.6
116.98607	0.6
119.04948	1.0
128.98622	0.7
137.05890	0.7
137.79195	0.5
141.29318	0.5
143.05632	100.0
146.99637	0.6
147.04387	4.1
163.03897	0.6
178.28397	0.5
236.98640	0.6
237.00684	1.4
237.02786	0.7
249.04266	1.1
249.09865	2.8
255.01753	0.9
260.98471	1.1
273.02820	0.7
278.99655	0.6
305.10898	12.9
323.97449	0.5
430.72723	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.6
55.01869	3.8
55.05509	1.7
57.03439	2.9
58.29778	0.5
67.05496	1.8
69.03428	8.9
69.07063	0.9
70.06600	6.3
70.84212	1.8
71.01338	0.6
71.04987	5.1
72.08145	2.3
73.02885	0.7
75.94154	0.5
77.29229	0.5
79.05468	0.9
81.03417	27.8
81.07027	1.9
84.04480	1.6
84.08138	3.6
86.09698	4.6
87.00808	1.2
91.05467	2.2
93.07041	1.5
95.04912	0.8
97.06520	5.8
98.06867	2.4
98.98476	1.1
99.04452	8.1
104.05315	1.0
106.25906	0.6
107.04934	1.6
110.07172	1.1
115.44087	0.6
116.07094	0.8
117.05486	2.8
118.06538	4.8
120.08098	1.6
125.00002	1.4
129.10243	1.8
136.07558	0.9
137.50098	0.6
143.05635	2.1
145.07591	7.7
146.61833	0.6
147.09154	11.9
162.07893	1.7
163.08702	1.7
173.07111	13.2
175.08665	10.2
178.13045	0.8
184.07341	4.4
189.10338	0.6
191.08151	100.0
196.14093	0.7
199.08633	0.6
203.08112	0.9
213.10248	0.7
214.15161	0.7
233.09129	1.1
239.18330	0.7
243.11205	0.9
250.74236	0.7
269.17441	2.5
270.17801	12.9
271.10757	2.6
289.11859	6.8
307.12894	18.4
325.03314	0.9
325.13962	11.6
331.12802	3.0
349.13870	3.3
375.11880	15.6
388.64435	0.7
393.12961	24.2
393.18332	1.7
411.19925	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.0
55.93530	1.7
56.05016	1.7
56.96561	27.2
60.04525	1.7
64.91262	1.1
68.55937	1.2
69.03437	1.4
69.89669	7.2
70.06590	7.8
71.95248	1.9
72.08148	2.9
72.74218	1.3
72.93774	2.0
74.06094	3.7
75.56720	1.4
79.05508	3.0
84.04529	2.5
84.08161	2.1
84.96024	6.9
85.02886	3.2
85.07671	2.8
86.09715	3.0
90.94846	1.6
91.05473	4.8
95.04973	1.4
97.02868	2.0
98.96926	2.1
98.97578	35.5
98.98186	2.6
103.05470	3.8
105.07021	33.2
107.04950	10.5
108.05347	1.8
108.95837	1.7
110.07152	1.4
110.97552	8.2
116.98616	37.8
117.03378	3.1
119.01923	1.6
119.04923	11.2
120.08112	2.4
127.03927	1.5
128.98595	25.7
129.10243	2.2
131.00175	3.2
131.04909	2.0
132.95833	2.1
133.06487	92.7
134.99643	28.4
136.07507	1.2
143.00159	5.2
143.05669	5.6
144.98024	1.6
145.02838	5.1
146.97397	1.7
146.99651	34.5
147.00780	2.4
147.04405	30.5
148.04788	1.6
149.01202	3.8
149.06091	1.9
152.98579	3.5
153.00713	3.8
158.99699	4.7
161.01234	13.0
162.96851	1.3
162.99245	1.7
163.03935	3.7
165.00728	5.9
170.99644	12.3
177.00702	14.3
177.05475	5.4
179.02277	2.1
189.00742	8.1
193.58452	1.3
195.01862	2.9
200.02234	1.5
201.00700	4.6
213.00656	3.0
218.97404	4.4
219.01723	36.5
220.98975	3.2
221.05008	2.4
225.04411	2.1
236.98604	4.7
237.02792	100.0
242.03296	2.2
249.04338	3.8
249.12442	3.6
255.03883	11.5
260.04465	5.2
260.98489	10.1
261.04556	2.2
267.05640	1.7
272.98450	2.2
278.99539	2.2
279.03638	2.2
290.99503	1.6
303.05930	1.3
325.05881	12.4
333.06677	2.0
343.06964	3.9
351.07458	6.5
369.08588	26.4
374.98004	3.3
392.98773	2.8
393.03244	2.2
411.09601	46.0
411.16376	7.7
429.10608	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	411.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.0
55.01855	1.4
55.05490	1.1
56.04994	0.7
56.96561	17.0
57.03424	1.2
67.10172	0.6
68.04993	0.6
69.03413	1.1
69.78329	2.3
69.78735	1.2
70.06589	6.6
71.95236	1.3
72.08126	1.6
74.06039	0.7
79.05493	3.7
81.07027	0.7
83.08596	1.2
84.04491	1.4
84.08123	2.7
84.96039	0.8
85.02882	1.6
86.09685	1.4
91.05470	1.1
95.04961	0.9
95.08595	0.8
97.02909	0.9
97.96785	1.9
98.97579	89.6
103.05470	1.8
105.07025	36.0
107.04963	6.0
107.08586	0.9
110.07175	1.2
110.97528	1.0
111.04306	0.6
115.05443	0.7
115.97858	1.7
116.98615	94.7
118.01263	1.7
120.08070	0.8
126.05631	0.7
128.98590	2.1
129.10265	0.8
131.04915	0.9
133.06487	100.0
133.98895	1.5
134.06831	0.8
134.99654	62.9
136.07590	0.7
137.06044	0.8
140.00191	2.9
143.05760	1.2
145.02856	1.3
146.99669	2.5
147.09167	1.3
148.07666	0.7
152.98669	0.6
153.00706	8.0
158.01262	2.2
158.97607	0.7
158.99655	16.0
160.99326	0.6
161.01256	0.6
163.02592	0.5
163.03888	8.5
163.05191	0.8
164.01842	1.8
165.02142	0.9
170.99699	1.6
176.02289	0.7
177.00708	39.7
177.05539	1.9
189.00735	1.4
191.08211	1.5
193.00266	0.8
195.01768	4.6
200.02350	3.3
203.05414	1.9
219.01736	15.8
225.04379	1.3
231.03256	24.4
231.05435	1.3
231.11455	1.1
237.02774	9.6
249.04346	71.1
249.12508	2.7
260.04489	1.2
261.04373	0.8
265.11121	1.1
267.05386	8.5
267.07690	0.6
272.05920	4.4
279.03879	6.4
281.15140	1.4
291.05377	12.4
291.08176	0.8
297.04959	1.8
309.06577	1.2
325.14148	1.2
336.15103	0.7
351.07391	3.8
353.15689	3.1
369.08563	25.2
392.10361	1.0
393.95007	0.6
394.00003	0.6
401.45596	0.7
411.20282	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
55.93523	2.0
56.94308	3.0
56.96580	0.8
63.21122	0.6
65.03935	1.8
67.05507	0.8
69.03432	2.7
70.06584	2.2
70.18336	0.8
70.18673	2.6
70.95850	1.3
71.92992	1.4
72.08175	0.6
72.93792	9.1
74.95341	0.6
79.05491	0.8
81.03417	2.4
85.02917	1.4
86.09727	1.0
88.96879	0.7
90.94825	7.0
91.05476	72.9
92.05783	1.4
95.08607	0.7
97.02895	1.1
98.06065	0.8
98.97623	1.2
102.94776	0.8
105.07069	0.6
107.04935	2.8
108.95853	1.9
109.02866	1.1
116.96339	1.0
116.98650	0.8
117.07005	1.0
118.94276	0.8
127.03868	0.8
128.96342	2.6
129.10249	0.6
130.97913	2.2
131.95056	0.7
132.95830	9.2
134.97382	1.0
136.95360	1.1
140.96359	0.7
144.95808	8.4
146.97429	1.8
148.98972	2.5
150.96889	6.1
152.44640	0.5
152.96335	0.9
156.95825	1.5
158.97395	13.9
162.96893	8.7
163.03882	1.4
163.08568	0.6
164.99991	2.0
166.97969	0.8
168.95827	5.6
169.96603	0.6
170.02522	0.7
170.97414	2.5
174.96878	7.0
176.98502	6.5
176.99940	1.4
178.97786	0.8
180.99443	1.3
184.95482	0.6
184.98981	0.7
186.96892	7.1
187.97676	0.9
188.98447	1.3
189.12788	0.7
191.01706	0.7
191.08141	0.6
192.98009	0.8
192.99489	4.7
195.00993	1.5
198.96837	3.2
200.98402	1.0
202.96408	0.7
204.97931	4.0
207.01091	2.9
211.00366	1.0
215.97122	0.6
216.97945	8.1
219.01149	1.0
223.00494	3.6
232.97495	1.7
234.98956	29.9
241.01515	2.6
243.10486	0.7
249.02081	1.6
253.00092	3.8
258.00534	1.6
259.00589	1.5
265.01575	3.4
272.12823	1.0
273.13107	0.8
277.01736	0.8
290.99475	0.7
307.02829	2.6
325.03674	100.0
326.03833	1.3
327.07523	1.7
343.04880	0.9
348.05270	1.0
366.06339	1.9
369.08347	0.7
411.03589	0.7
411.08707	0.7
411.19543	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0328
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	51.0
60.04501	4.2
67.87706	2.4
70.06588	39.6
70.57932	5.1
70.58283	7.5
74.97605	4.3
80.64588	2.6
85.02879	3.1
85.07683	2.9
89.03941	3.6
89.47205	2.3
95.04977	3.1
98.97560	16.5
102.05540	13.7
107.04277	5.4
107.04950	64.6
112.08681	4.2
115.08727	3.5
116.07092	11.4
116.98618	16.7
119.04954	4.3
120.18094	2.5
128.04214	2.9
128.98602	8.5
133.09718	4.5
134.99648	12.4
135.04395	3.3
143.00140	4.8
143.05634	100.0
145.02846	4.5
146.99611	12.5
147.04372	13.9
150.99100	3.4
158.09258	5.8
158.99651	4.2
159.07642	3.3
161.01218	7.2
163.03923	18.0
174.99086	9.8
175.00562	4.2
175.87802	2.7
177.00719	9.0
186.99236	2.6
193.00174	4.7
193.01709	6.1
209.01266	4.3
211.02823	8.3
220.98996	2.5
229.03827	3.2
237.00650	33.4
237.02785	5.3
239.11377	3.4
248.99147	7.1
254.97865	6.1
254.99181	3.4
255.01671	38.1
260.12259	3.1
260.98373	3.3
267.00290	6.2
269.03186	5.0
273.02826	43.1
287.13828	3.2
291.00351	7.3
297.02802	8.4
305.10889	16.5
305.14276	5.1
313.02457	3.8
315.03894	4.3
333.01212	4.3
352.19800	4.4
369.58395	2.9
411.18903	24.1
429.03488	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	411.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.8
56.96560	7.3
57.77853	0.5
58.06042	0.6
61.02923	0.8
65.38600	0.5
70.06576	2.7
71.59039	0.8
72.08134	0.5
73.02911	0.5
74.97612	0.5
79.05488	0.8
84.04482	0.7
84.08180	0.5
84.96038	1.1
85.02898	1.6
86.06053	1.5
86.09692	0.6
87.06707	2.6
91.05503	0.5
91.92883	0.6
97.02865	1.4
98.97573	6.4
102.05499	0.8
103.02435	1.2
107.04940	18.7
108.05272	2.2
110.97575	0.8
114.05525	4.1
115.02395	0.7
116.98604	4.9
117.03355	0.8
119.01875	2.5
119.04898	1.0
120.65791	0.5
121.03506	0.6
124.07610	0.7
127.03922	0.5
128.07008	0.7
128.98605	2.6
131.00134	0.9
131.01894	0.8
132.95787	0.6
133.01746	0.6
133.03456	7.2
134.99641	3.0
135.04382	0.5
137.02997	0.9
141.04004	0.5
141.10240	0.9
143.00131	2.3
143.01903	1.3
143.05629	100.0
145.01697	1.1
145.03543	1.4
146.99611	3.0
147.03281	1.1
147.04324	3.4
149.01207	4.8
150.96873	0.5
151.04483	6.5
155.01909	1.9
156.53249	0.5
157.01677	0.6
157.03426	0.9
158.99619	2.3
159.05069	0.6
161.01233	3.4
161.02983	1.8
162.99162	0.6
163.02708	1.1
163.03975	1.5
165.00653	0.6
166.09734	0.8
167.02260	1.7
170.99669	0.6
171.04974	0.9
173.01286	0.7
173.02968	2.4
174.99187	2.2
175.03024	0.6
175.04510	5.2
177.00694	3.2
177.05476	1.2
178.09785	1.0
179.02292	0.9
185.02884	1.0
185.09204	10.5
186.07593	0.7
186.09499	2.8
187.04483	3.1
189.00705	2.1
189.04289	0.6
189.06064	1.7
191.02306	0.6
193.00188	2.0
193.10809	2.4
199.04568	1.1
201.06021	3.2
203.00116	1.0
203.02237	1.5
205.00214	1.6
205.03787	0.6
211.04503	2.2
217.05576	4.2
219.01756	0.7
221.03198	0.8
221.05083	0.9
223.01166	1.2
237.00668	1.1
237.02829	2.0
239.11394	3.7
248.99168	1.6
249.09859	1.0
255.01852	1.6
260.98413	0.7
267.00287	3.3
273.02829	1.6
277.07663	3.2
286.13901	7.3
287.14246	4.2
289.07611	0.6
291.00244	5.6
291.03818	1.5
293.05426	1.9
295.08817	9.1
304.15088	1.4
305.10916	12.4
305.14679	0.9
309.01263	2.5
309.04846	1.2
311.06476	2.0
318.10144	0.7
321.01343	1.6
338.91083	0.6
352.19464	3.9
353.09177	2.1
393.07675	0.8
411.08688	3.0
411.13953	1.0
411.18576	0.7
411.27444	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52193	3.2
55.05502	11.5
57.07073	38.5
67.05467	3.3
69.07060	11.7
70.07364	4.4
71.08630	33.1
71.59415	3.4
71.59815	5.3
73.06566	3.7
79.74857	3.9
81.07071	9.2
83.04974	3.1
83.08621	14.5
85.10165	24.5
89.06030	100.0
93.07030	4.2
95.08592	9.7
97.10176	4.5
105.07046	4.6
106.06618	3.3
107.07060	7.5
107.08527	3.8
121.10178	4.8
130.08621	5.3
133.08614	51.3
138.09135	7.2
142.08563	3.8
150.10294	7.0
155.17931	6.4
177.11240	11.0
197.13283	4.1
239.14845	21.1
243.23199	6.0
393.32132	18.2
410.30237	6.7
410.35486	16.9
417.33228	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	411.0004
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80423	1.3
55.93523	3.5
56.96560	2.9
68.24557	1.3
70.06563	1.5
70.44994	3.8
71.06841	1.2
72.93796	5.8
81.03427	2.1
90.94838	4.1
91.05473	19.2
97.02868	1.2
98.97576	1.5
104.04654	1.2
107.04952	4.5
107.22783	1.2
108.95824	1.3
116.98604	1.5
119.04938	37.2
131.04964	2.9
132.95837	3.5
133.06511	2.8
134.99586	1.7
143.05661	5.1
144.95856	3.8
145.02892	1.5
145.30525	1.4
147.04399	100.0
148.04736	3.0
150.96913	2.8
158.97458	1.4
162.96887	4.7
163.03969	1.6
170.97403	1.5
174.96956	1.2
177.05487	1.6
178.96373	1.5
178.97975	1.6
190.97917	2.5
192.99500	2.8
194.97398	2.3
202.97902	4.9
208.98979	2.9
218.97374	12.5
220.98907	7.9
222.96913	2.3
223.00471	1.6
224.98502	2.8
228.03885	1.3
234.96928	2.7
235.97658	2.3
236.98421	13.7
239.11090	1.3
251.00047	3.8
252.97810	3.3
256.98907	1.5
260.98419	33.7
261.99017	1.4
272.98477	5.1
274.99823	1.2
278.99435	9.3
286.99942	2.5
288.98029	2.1
290.99524	2.3
298.63547	1.2
300.97971	4.8
302.01065	1.4
318.99197	1.7
321.00650	1.8
346.98383	2.9
364.99319	2.0
374.97952	9.5
383.28436	1.3
392.98965	11.0
400.28204	1.3
411.11624	1.5
420.76630	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2686
Annotation	Laxiracemosin H
Peak:m/z	Relative Intensity
50.01581	0.6
53.03945	2.6
53.28352	0.3
55.01857	0.6
55.05502	0.7
56.96554	1.1
57.03429	0.6
57.07068	0.7
67.05491	1.5
69.03410	0.4
69.07055	0.6
70.06575	0.8
71.21128	0.6
72.08150	0.6
73.02884	0.3
74.64552	0.3
77.03938	0.6
79.05482	1.0
81.03419	0.9
81.07051	1.1
83.08643	0.5
84.08130	0.5
85.02898	0.5
91.05476	11.1
91.22346	0.4
92.05794	0.5
93.07036	19.0
94.07357	0.6
95.04958	5.6
95.08573	0.4
97.02898	0.5
103.05460	12.0
105.04504	1.1
106.06554	2.2
107.04951	2.1
107.08566	0.4
117.05790	0.5
118.06531	2.9
121.06494	76.9
122.06821	1.3
127.03894	0.5
131.07306	1.6
132.08087	1.2
133.08932	0.4
133.10085	0.6
134.09654	0.7
135.11674	0.4
146.06036	0.5
146.09621	2.6
160.11229	3.2
160.97321	0.5
172.11177	0.5
173.04927	0.4
174.12817	0.6
176.14299	0.8
202.15900	0.6
244.20581	3.4
272.20059	35.2
273.20523	2.2
285.10086	1.0
290.21121	22.8
291.21497	0.8
324.11169	0.4
366.26379	0.7
369.08640	0.4
392.84528	0.4
410.26868	100.0
411.27197	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	410.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	9.6
57.07071	9.5
59.62556	1.3
67.05500	13.1
68.05817	2.5
69.07064	8.9
70.04056	5.7
74.79352	1.3
79.05484	5.1
81.07047	6.3
82.06571	6.0
82.07391	1.4
83.04984	6.3
83.08600	3.1
85.06543	1.4
91.05465	3.1
93.07022	4.6
94.57476	1.5
95.08604	6.2
96.08895	1.3
97.06533	2.5
98.20738	4.2
105.07027	3.5
107.08567	2.0
109.06487	1.3
109.10150	5.4
110.09694	6.7
110.10328	1.3
111.02646	1.5
111.08085	1.9
118.34293	1.2
119.08541	2.8
135.11649	3.0
136.12033	1.2
140.05276	3.2
155.03867	1.4
156.04898	1.3
159.11345	1.4
171.11868	1.7
174.12076	1.4
182.15431	1.6
184.07945	6.2
184.10806	3.6
198.13013	1.3
224.10783	1.8
226.12643	2.2
229.09943	4.7
240.14085	1.5
242.15735	5.7
252.14189	2.8
254.15701	28.4
263.64059	1.6
278.83698	1.6
343.29529	1.3
364.26868	1.5
376.92532	1.3
381.59796	1.4
392.26157	33.1
393.26755	1.4
410.27188	100.0
411.27484	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	410.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63965	0.4
53.03935	1.6
55.01887	0.6
55.05511	1.6
56.96546	0.9
61.02926	0.8
67.05500	1.7
68.05027	3.1
69.03433	0.9
69.07079	0.6
70.06586	1.9
71.59669	1.0
73.02918	0.5
79.05476	2.8
80.05013	7.0
81.03417	1.0
81.04565	0.7
81.07053	1.8
83.04954	0.5
83.06102	1.5
83.08624	1.0
84.08094	0.5
85.02906	0.9
86.06075	0.8
88.07620	1.7
89.35312	0.5
91.05475	1.4
93.05811	0.7
93.07041	1.2
94.06561	5.6
95.04986	2.3
95.06087	28.5
95.08614	1.0
97.02855	0.7
98.09709	0.5
101.38660	0.5
102.09171	1.1
105.04507	0.6
105.07006	0.9
106.06549	0.5
107.04949	100.0
108.05273	1.2
108.08118	0.5
109.10139	0.7
119.08602	0.9
120.08113	0.9
121.02839	0.7
121.06465	0.7
122.06027	1.7
122.09718	1.2
125.09669	0.5
130.06477	0.8
131.08589	0.7
132.08105	1.2
133.10170	0.7
134.09621	0.5
136.07562	3.2
145.06520	0.9
149.02347	3.9
152.10728	0.8
157.07611	0.5
157.10057	1.1
162.10303	3.8
164.07103	2.7
166.08713	0.6
173.09621	1.8
173.11899	0.8
174.10268	16.7
174.12770	2.2
176.14371	0.8
180.10118	0.5
181.09718	1.0
182.08139	1.9
182.09570	0.5
186.09172	1.1
186.12813	5.0
188.11810	1.7
192.13786	1.0
193.04935	4.5
199.09570	0.6
200.10634	1.1
200.20052	4.6
202.08643	2.3
203.05989	0.6
204.13858	1.1
210.14943	1.0
211.13026	0.5
213.07689	0.6
214.08659	0.9
222.14900	2.2
228.10226	1.8
237.07613	4.6
246.18602	0.6
247.08731	0.7
256.09729	2.1
258.14923	0.9
258.19574	0.9
260.16513	1.6
262.60303	0.6
264.19614	1.4
267.08972	0.7
268.18073	21.4
271.12027	1.2
272.12775	4.1
274.10690	6.1
275.11349	1.0
285.10056	1.7
286.14240	1.6
286.19107	18.9
287.10995	0.7
288.12305	1.2
289.12488	0.5
304.20172	66.8
305.20560	1.0
316.05457	0.7
316.20108	0.8
324.11517	1.1
340.62680	0.5
347.47333	0.6
348.25330	2.2
366.26324	6.4
367.17108	1.6
392.18390	1.0
393.18353	0.7
401.45627	0.6
410.18930	2.7
410.24356	73.3
410.29025	5.7
411.16110	2.9
411.24826	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15654	4.2
55.05506	15.1
56.05032	7.5
57.03466	4.7
60.04512	5.1
62.06089	17.9
67.05510	28.7
69.03434	7.3
69.07055	15.1
69.29147	10.0
69.29542	40.7
70.06591	73.9
71.05009	5.7
71.06925	5.5
72.07771	5.1
72.08161	34.8
74.06054	4.7
79.05502	19.8
80.05040	3.7
81.07061	32.9
81.94157	4.4
83.04964	4.6
83.08603	6.6
84.04518	15.1
84.08147	42.6
85.02928	4.0
86.06077	6.3
86.09708	54.1
91.05488	18.8
93.07028	28.5
95.04931	6.2
95.06077	7.8
95.08607	9.1
97.06541	12.1
98.98460	10.9
103.05476	9.0
105.07047	8.3
107.04961	43.3
107.08617	8.6
110.07174	14.1
112.08708	6.5
117.07015	8.6
120.08101	59.7
121.06578	5.6
121.08455	4.6
121.10085	4.5
125.69880	3.9
127.04009	4.5
129.10263	15.0
130.06525	12.9
131.04927	11.9
131.08568	9.1
132.08099	4.8
133.06465	4.9
133.10147	6.8
135.11708	6.8
136.07611	8.0
142.02660	6.0
143.05663	11.1
149.13263	17.6
155.01044	13.3
159.11678	14.5
170.68741	4.7
177.12750	13.7
184.07312	8.0
188.07056	4.7
195.13847	6.1
203.06644	4.8
205.09753	4.3
211.24812	5.2
213.14856	8.2
220.16962	5.3
224.43654	5.0
233.16547	8.7
236.10771	11.7
238.18054	16.0
269.17462	100.0
304.16635	5.6
311.13928	6.0
331.12979	8.2
347.66565	4.5
349.14117	19.7
374.17355	11.9
392.18393	40.7
410.19119	37.4
410.25125	98.9
411.16211	4.8
411.20148	38.5
430.44098	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	410.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15630	1.5
53.03948	2.4
53.08138	1.3
55.01868	1.9
55.05522	6.6
56.05048	1.4
57.03442	9.8
60.04515	1.4
65.03925	1.4
67.05505	25.8
68.05028	1.4
69.03439	2.2
69.07065	8.6
70.06590	15.6
70.63303	1.2
70.71370	3.6
71.04993	3.6
71.42889	1.3
72.08165	6.4
74.04373	1.2
79.05485	13.9
81.03428	2.7
81.07057	31.5
82.06586	2.3
83.04956	3.7
83.08618	7.3
84.04503	2.7
84.08139	10.7
85.06547	1.6
86.09699	8.3
91.05481	16.8
93.07051	20.0
95.04975	2.9
95.08607	12.9
96.04503	1.2
96.08118	2.1
97.06524	7.2
97.10137	2.0
98.98492	3.4
103.30594	1.2
105.07037	3.6
107.04963	9.8
107.08574	8.2
109.06565	2.2
109.10175	4.0
110.07161	3.5
111.08092	2.5
112.11198	1.2
113.53474	1.2
115.17677	1.0
117.07021	3.7
119.08595	3.1
120.08101	6.8
121.06486	3.0
121.10141	5.8
123.11792	1.6
129.06958	1.2
129.10254	3.4
131.08551	4.8
133.06543	1.5
133.10147	6.1
135.11711	5.1
136.07549	1.9
142.02640	8.1
142.96486	1.2
143.05620	2.7
146.05974	1.1
149.13257	8.7
151.11115	2.3
159.11674	6.3
160.07686	1.5
177.12787	3.6
178.08635	1.6
179.14333	1.6
184.07349	2.6
194.15428	10.1
195.13828	2.9
208.08926	1.3
212.16466	3.8
220.16888	1.7
237.09109	1.8
238.18021	3.1
243.15886	4.3
249.16238	1.6
259.68683	1.3
269.17471	100.0
270.17831	4.8
271.18756	1.3
322.39352	1.3
326.04102	3.1
336.21658	1.6
348.15787	5.1
366.16763	13.1
374.17224	1.7
378.50113	1.5
392.18170	10.2
410.19287	5.5
410.25159	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	410.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49565	0.4
51.61031	0.5
53.03937	1.2
55.01863	1.2
55.05263	0.8
55.05508	9.5
56.05029	1.1
57.03438	12.7
57.07058	1.1
58.04539	0.5
60.04505	0.6
61.79442	0.4
62.06081	0.9
65.03927	1.5
66.69033	0.5
67.05503	36.9
68.05774	0.5
69.03416	0.8
69.06734	0.9
69.07069	12.6
70.06591	6.5
70.77979	1.3
71.04999	2.9
72.08166	2.3
74.06082	0.6
79.05492	22.6
80.04991	1.3
81.03413	1.5
81.07054	52.5
82.06563	2.2
82.07359	1.2
83.04980	3.6
83.08617	9.5
84.04481	1.4
84.08128	3.5
85.06534	3.0
86.09705	4.0
88.03986	0.6
91.05482	13.1
93.07043	32.9
94.06580	0.8
95.04976	4.6
95.06082	1.6
95.08604	11.6
97.06535	6.2
97.10170	1.1
98.98450	2.3
99.08063	1.6
104.10734	0.5
105.07040	5.0
106.20786	0.5
107.04972	2.7
107.08597	16.9
108.08072	0.8
109.06497	1.7
109.10130	2.3
110.07183	1.2
111.08082	4.1
113.07100	1.3
113.09597	0.5
117.07010	6.6
119.08600	0.9
120.08072	1.4
121.06495	0.8
121.10149	7.1
123.08035	0.9
123.11700	3.5
124.01595	0.5
127.07492	0.6
129.06985	0.7
129.10231	1.8
131.08559	7.4
133.10121	8.8
135.08034	1.9
135.11708	6.6
136.07547	1.3
137.05927	0.8
139.11133	0.7
142.02626	1.4
143.05656	0.5
147.09157	1.0
147.11676	1.0
149.09561	0.5
149.13255	14.6
151.11108	1.3
155.00974	0.5
158.64746	0.5
159.11696	10.1
167.14305	0.8
177.12764	5.9
184.07352	0.6
188.08209	2.2
191.08151	1.5
192.17509	0.5
195.13800	9.6
196.09547	0.5
198.05164	0.7
213.14775	2.4
216.06242	1.1
220.16965	6.0
238.18027	6.2
251.16420	8.4
269.17471	100.0
270.17795	2.1
272.12839	2.0
294.20609	1.7
307.20148	0.7
312.21735	1.3
314.18198	0.6
318.14731	1.7
322.13940	3.5
336.15744	2.2
349.14029	0.8
366.27609	1.0
374.17310	5.9
375.59433	0.6
392.18323	14.0
393.18594	0.6
410.19421	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01625	1.4
55.01872	17.3
55.02125	0.6
55.05508	7.4
56.96599	0.7
57.03440	3.7
62.06092	6.5
67.05167	1.4
67.05504	14.7
69.03438	3.7
69.07060	3.1
70.06590	7.2
70.77357	1.9
70.77682	0.7
71.04992	15.6
72.08157	1.6
75.04477	1.0
79.05495	9.7
81.03421	2.5
81.07056	12.5
82.06594	1.2
83.04974	1.5
83.08606	3.7
84.04509	1.7
84.08140	3.7
85.06539	2.9
86.09699	4.5
87.04465	6.5
91.05476	4.7
92.05822	0.7
93.07040	10.0
95.04954	2.1
95.08592	6.4
96.08111	1.0
97.06530	100.0
97.10166	4.1
98.06879	1.9
98.98465	23.6
105.07030	4.8
107.04967	3.2
107.08595	8.5
108.08115	1.5
109.06546	1.2
109.08925	1.4
109.10158	10.2
110.07147	1.4
111.08076	2.2
113.05965	0.8
117.07031	4.7
119.08585	1.9
120.08107	2.4
121.06465	1.2
121.10147	3.1
123.08063	1.5
124.11171	0.8
125.09629	3.8
129.05457	0.9
129.10248	1.8
131.08580	3.2
133.10153	3.9
134.09673	0.7
135.08058	2.6
135.11699	2.8
142.02634	1.5
147.11633	0.8
149.13254	3.9
151.11147	0.8
153.09106	2.5
155.01039	3.6
159.11693	3.9
165.12820	1.5
173.02113	5.6
177.12750	10.4
179.14272	0.9
183.13785	3.0
184.07428	1.3
194.15396	1.1
195.13799	28.1
213.14868	9.3
216.06352	2.4
220.16983	3.2
238.18018	19.7
238.20419	1.1
256.19022	1.5
269.17474	78.4
270.17856	1.7
294.20645	1.9
312.21735	3.7
318.14838	0.9
349.14087	36.2
350.14432	1.0
367.15179	37.8
374.17349	8.4
392.18329	48.0
393.18607	1.4
410.19339	31.9
411.12573	1.6
411.19681	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01867	12.8
55.05503	6.5
56.05016	2.2
57.03440	6.8
62.06089	1.5
67.05501	9.8
69.03418	5.2
69.07055	2.8
70.06258	1.3
70.06597	13.2
70.65646	3.6
71.04989	16.4
72.08150	6.0
79.05486	9.8
80.59494	1.2
81.03416	14.8
81.07063	10.8
83.04963	1.8
83.08594	3.3
83.72203	1.2
84.04498	2.4
84.08141	8.9
85.02879	1.5
86.09718	8.8
87.04469	4.0
91.05502	8.2
93.07040	10.6
94.06605	1.2
95.04971	1.6
95.08602	3.0
97.06530	62.5
97.10152	4.3
98.06001	1.8
98.98458	3.4
99.04467	5.7
102.05527	1.2
104.10748	1.5
105.07027	3.4
107.04949	4.7
107.08586	7.2
109.10139	5.2
110.07163	3.2
113.63752	1.3
117.05565	1.8
117.07030	3.2
118.06557	1.9
120.08098	5.3
121.10155	1.3
124.99963	1.5
125.09595	3.8
129.10258	2.3
131.08549	2.9
133.10175	2.4
134.97871	1.2
135.08000	1.7
135.11703	2.5
136.07549	1.2
145.07605	3.2
147.09155	4.3
149.13287	2.2
151.11121	1.9
159.11618	2.3
162.07849	1.2
173.07091	5.1
175.08678	4.2
177.12723	8.2
182.69626	1.2
184.07367	3.4
185.09575	1.5
191.08163	43.4
195.13803	8.7
213.14830	7.1
224.61711	1.4
234.98868	1.6
236.44026	1.3
238.15784	1.3
238.17928	7.9
269.17474	100.0
270.17859	6.0
275.64474	1.2
289.11990	2.2
307.12848	9.8
312.21619	2.3
313.69830	1.2
325.03610	5.0
325.13870	4.3
331.12778	2.2
349.14047	1.3
367.15182	4.0
375.11847	6.0
392.18439	7.2
393.12930	11.1
410.19144	10.2
411.19992	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.05521	9.6
56.05004	1.7
57.03432	11.9
57.07075	4.1
58.70315	1.7
62.06086	25.3
67.05505	36.9
69.07066	15.8
70.06584	7.4
71.04994	3.4
71.58817	2.2
72.08158	2.8
79.05496	17.9
79.41985	1.5
80.05013	3.2
81.03436	3.1
81.07059	45.5
82.06573	5.0
83.04992	4.7
83.08617	9.4
84.04524	2.0
84.08158	5.1
85.06531	3.9
85.67619	1.6
86.06100	2.0
86.09697	4.3
91.05471	11.3
93.07044	35.3
94.06567	2.3
95.04990	2.8
95.08604	12.1
96.08099	1.6
97.06519	7.8
97.10191	2.6
98.98466	17.4
99.08112	1.8
100.11272	2.8
105.07033	6.8
107.04954	20.4
107.08598	17.7
109.10174	2.9
111.08092	3.0
117.07030	5.7
119.08576	3.6
120.08099	1.5
121.06530	1.4
121.10149	10.0
121.19141	1.4
123.11716	1.9
129.06978	2.6
129.10274	2.7
131.08586	6.8
133.06581	1.6
133.10149	4.8
135.08090	2.6
135.11713	6.0
138.03825	1.7
139.11142	1.4
149.13272	26.8
151.11186	1.8
155.01059	16.1
159.11690	13.0
169.06534	2.0
177.12723	15.2
184.07397	1.7
187.11264	2.0
189.72307	1.5
195.13806	14.9
201.12709	1.8
213.14865	3.7
216.06129	1.6
220.17033	11.8
226.97063	1.8
228.27434	1.6
238.18018	13.1
269.17493	100.0
270.17795	2.8
294.20657	3.4
312.21564	2.1
318.14728	4.6
336.15674	5.4
349.14136	33.0
374.17200	24.4
392.18356	48.0
410.14349	1.6
410.19989	3.6
410.25348	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	410.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23387	0.7
53.69763	0.9
55.05505	8.8
56.67520	0.9
57.07070	25.8
60.77401	0.8
62.70961	0.9
67.02982	1.3
67.05480	1.1
69.07062	73.2
69.36671	7.0
70.04063	3.1
70.07428	1.8
70.07837	4.0
71.08604	2.5
73.06483	0.8
79.05483	3.6
81.07043	4.3
82.06574	8.9
85.10163	1.3
85.89391	0.8
89.06024	8.1
91.05489	1.7
95.04945	2.2
96.05617	5.3
98.03516	2.5
99.00011	2.5
100.05122	1.0
106.06556	3.3
108.05610	5.0
108.06831	1.0
110.07209	2.0
110.64836	0.8
110.93925	0.9
111.04470	1.0
113.43838	0.8
115.07564	29.4
119.08576	1.5
120.05589	1.5
121.06437	1.6
121.82524	0.9
122.07167	1.8
122.25584	0.9
123.09162	4.4
124.07584	4.8
126.06630	2.4
126.99436	5.6
128.99193	1.8
129.01019	10.0
131.00737	1.4
133.08597	3.3
133.10071	1.1
133.68558	0.9
134.07141	3.8
135.07928	7.6
136.08676	1.0
138.09152	1.8
141.01012	10.9
143.00644	2.3
148.08687	2.7
150.10252	100.0
151.10765	1.8
155.02583	6.1
162.10170	1.0
163.23820	0.8
168.11296	3.9
190.09808	1.6
197.07272	40.7
198.07585	1.0
199.06943	7.1
210.22882	0.8
222.15891	1.0
225.06732	4.2
227.06494	3.1
264.16739	1.3
290.94077	0.9
294.10101	1.7
296.09671	2.3
303.67026	0.9
322.09433	6.5
374.16275	2.7
392.17303	53.2
393.17621	2.4
393.32129	1.1
407.86871	0.8
410.18384	50.1
410.27148	1.7
410.80997	4.5
411.18729	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	51.8
57.07073	20.6
67.05489	33.4
69.07075	66.9
70.78236	24.5
79.05479	24.3
79.37425	10.4
81.07052	61.0
83.08627	86.9
87.54052	11.6
91.05455	15.1
93.07032	44.7
94.12598	13.8
95.08600	74.5
105.07018	31.6
107.08607	23.9
107.17110	10.7
108.23006	11.4
109.07520	11.4
109.10140	38.5
114.08279	13.6
119.08564	34.0
121.10153	25.5
123.11758	15.3
131.08536	22.8
133.10135	21.0
135.11685	25.3
143.08569	17.1
145.10107	22.5
147.11591	28.4
149.13165	12.0
155.08514	16.1
157.10109	28.2
159.11658	24.6
171.11710	15.6
173.13234	15.9
177.16350	19.5
185.13315	16.5
187.14925	16.8
191.17876	27.1
194.21568	13.2
199.14745	15.8
209.13057	13.8
213.16409	18.7
215.17943	13.9
235.50378	12.5
241.69510	12.0
269.18936	21.9
271.20520	19.4
278.46429	13.0
293.22397	15.8
306.48669	12.6
311.23657	16.4
325.25174	12.9
391.33698	25.5
409.34433	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19071	3.3
55.05510	23.0
57.07078	18.0
61.20440	3.1
67.05495	13.0
69.07069	31.9
70.77315	9.7
71.08620	11.5
79.05489	7.5
81.07069	21.6
83.08611	26.8
83.50004	3.5
85.10172	7.7
91.05471	11.9
93.07049	14.7
95.08613	22.5
97.10155	8.9
105.07022	21.0
107.08591	16.4
109.10146	6.9
110.37530	2.9
117.06973	4.3
118.98771	3.2
119.08566	13.4
121.10133	9.2
123.11666	4.5
128.06197	4.4
129.07011	9.8
131.08569	16.0
133.10121	10.1
135.11684	5.1
137.13255	5.0
139.04805	3.2
142.07768	6.6
143.08562	18.0
145.10121	19.5
147.11716	7.1
149.13376	4.5
155.01083	6.2
155.08612	7.8
157.10107	19.5
159.11697	32.3
169.10240	7.3
171.11705	11.0
173.09662	3.9
173.13237	7.5
175.11206	6.0
181.10229	4.7
183.11711	7.0
185.13271	14.1
187.14832	23.2
193.10146	3.1
195.11697	6.9
197.13184	3.8
199.14810	11.2
201.16356	3.2
209.13188	6.7
211.14806	9.4
213.12904	3.7
213.16385	9.1
223.14807	7.3
225.16472	8.2
227.17781	5.1
237.16379	8.3
241.15851	5.6
251.17915	10.5
253.19505	5.0
255.17456	4.1
269.19034	7.1
271.20395	3.5
297.21988	5.0
311.23755	4.7
339.26956	3.5
351.30307	3.6
367.33615	5.4
381.35077	20.9
391.33850	15.2
409.34747	100.0
409.40112	4.9
410.34818	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	409.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	32.2
57.07081	21.8
62.41567	3.2
62.68795	2.9
67.05492	21.7
69.07069	46.1
70.54918	2.9
71.08623	11.4
74.61748	2.8
78.51019	2.6
79.05486	13.7
81.07064	40.1
83.08620	50.1
84.08936	3.8
85.10161	4.8
91.05475	18.9
93.07049	28.8
95.08615	32.8
97.10178	16.5
98.98488	2.9
105.07019	29.5
107.08613	25.9
109.10172	19.4
113.00047	4.5
117.07066	6.9
119.08575	18.0
121.10136	15.7
123.11737	5.2
129.06996	7.0
131.08578	29.5
133.10159	21.6
135.11681	11.4
142.07756	4.2
143.08554	28.8
144.09381	4.0
145.10123	41.7
147.11713	12.3
149.13326	4.7
154.07872	2.8
155.08592	7.9
157.10123	35.5
159.11673	27.4
159.21452	3.5
161.13364	4.4
169.02713	3.6
169.10205	15.5
171.02994	4.9
171.11684	20.9
173.13298	4.2
181.10095	9.4
183.11687	19.9
185.13228	16.3
187.14819	60.4
195.11700	12.2
197.13257	8.1
199.14784	18.9
201.16455	6.1
205.15858	13.6
209.13216	10.0
211.14825	10.3
213.16327	6.6
215.14336	3.3
215.17946	4.2
223.14796	9.9
225.16437	5.1
229.15945	5.1
235.14642	3.4
237.16408	14.6
239.17918	10.3
251.17952	13.3
252.18436	4.5
253.19655	5.2
255.17575	7.0
257.19055	6.6
265.19424	4.3
269.19058	25.8
271.20532	6.4
279.21127	5.6
283.20563	5.7
293.22665	7.9
297.22308	5.0
297.25662	6.1
307.23898	5.6
311.23627	8.5
325.25299	10.6
358.01068	3.5
391.33783	17.0
398.50488	3.8
409.18158	6.1
409.34790	100.0
410.35022	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	409.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54719	8.2
55.05513	18.0
56.46737	9.2
56.85991	7.6
57.07075	12.8
67.05502	10.7
69.07072	18.7
70.71885	14.9
70.72218	13.7
79.96320	8.4
81.07061	26.3
83.08630	34.1
91.05495	13.2
93.07056	14.7
93.40721	8.2
95.08596	27.8
97.10178	10.4
105.07056	18.1
107.08591	19.2
109.10165	11.1
117.06973	11.3
119.08575	17.0
121.10278	8.7
123.11684	8.9
131.08545	20.5
133.10147	16.7
143.08589	17.4
145.10191	39.6
157.10159	16.1
159.11699	24.7
181.10196	9.8
183.11734	12.0
185.13342	11.9
187.14827	100.0
195.11755	14.3
195.54674	9.0
197.13388	10.5
199.14871	22.8
205.15930	38.9
237.16447	18.2
251.17831	15.8
269.19028	18.0
297.26016	9.3
338.96152	9.5
391.33710	21.6
409.34836	72.7
429.07306	9.5
433.39993	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	409.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	45.3
56.29845	2.0
57.07069	22.5
67.05506	16.5
69.07066	41.6
71.08636	13.9
71.58720	2.1
72.71582	2.0
75.26443	2.3
79.05488	13.1
81.07050	30.2
81.28397	2.1
83.08617	78.4
85.10178	6.2
88.30614	2.0
91.05499	14.9
93.07047	19.4
95.04969	2.3
95.08607	36.3
97.06532	6.2
97.10197	12.8
105.07021	22.2
107.04969	2.8
107.08605	21.3
109.10155	18.0
110.26213	2.1
117.06999	6.1
119.08565	21.6
121.06544	3.0
121.10115	12.2
123.08061	2.3
123.11717	4.8
129.06985	5.0
130.07738	2.3
131.08571	23.2
132.62639	2.0
133.10115	17.0
135.08006	4.7
135.11674	6.2
139.14786	2.8
142.07800	6.1
143.08545	12.4
145.10112	30.0
147.11702	9.6
151.14780	2.9
155.08517	9.5
157.10126	22.4
159.11694	16.5
161.09579	3.4
161.13263	5.5
163.11259	4.9
169.10172	8.2
171.11743	10.3
173.13277	5.1
177.12799	2.7
181.10196	5.1
182.10854	2.3
183.11673	12.8
184.12122	2.0
185.13200	11.2
187.14821	52.4
187.16452	3.7
189.16393	2.9
195.11708	7.6
196.12468	3.0
197.13277	8.9
199.14842	13.1
201.16429	4.3
205.15901	20.3
209.13255	6.0
211.14879	7.2
213.16402	7.7
215.14421	2.6
217.15836	3.0
222.14029	3.0
223.14894	6.9
225.16344	6.4
227.18001	2.5
231.17526	3.1
236.15514	2.8
237.16382	15.2
239.18019	6.4
251.17912	15.1
253.19559	6.0
255.17458	4.3
257.19110	6.3
269.19086	8.5
271.20557	3.9
283.20700	2.8
293.22534	5.1
297.25830	9.9
300.02060	2.5
307.24106	6.7
311.23795	6.0
315.27014	3.2
325.25345	4.9
346.21939	2.5
391.33704	16.9
409.34641	100.0
410.34985	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	409.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22951	2.5
55.01861	6.7
55.05496	13.2
57.03423	7.3
57.07058	13.6
58.48278	3.1
63.10462	3.0
67.05501	28.2
69.07072	20.2
71.08620	17.9
71.59199	5.0
79.05486	19.7
81.07050	41.2
83.04967	2.7
83.08609	10.5
85.06538	4.0
91.05497	14.8
93.07047	20.4
95.04965	19.0
95.08606	31.7
97.06520	7.9
97.10189	4.0
99.08076	13.6
105.07011	21.0
107.08565	14.9
109.06516	43.8
109.10147	9.8
117.07039	4.6
119.08560	16.8
121.06470	16.6
121.10131	8.3
123.08065	3.4
123.11684	7.2
129.06984	2.7
131.08559	9.0
133.10101	7.6
135.08049	6.4
135.11687	9.0
138.09145	4.1
139.11217	4.5
145.10114	12.2
147.11623	3.5
149.13220	3.6
151.91859	3.3
159.11667	6.6
161.13234	7.9
163.11174	9.3
165.12752	92.8
165.14140	5.6
172.03125	2.8
177.12753	3.6
185.13371	3.7
191.14291	6.9
209.18970	7.4
219.17393	4.7
249.18600	3.2
279.26404	3.6
289.25186	19.0
317.24762	100.0
318.24997	3.5
335.25793	41.9
381.25357	3.3
381.32837	3.4
391.28595	6.1
409.29639	51.3
409.34576	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	409.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09224	4.2
55.01860	4.4
55.05505	18.9
57.07069	35.2
59.04994	3.7
61.56691	3.0
65.03902	3.6
67.05497	33.4
68.67982	3.9
69.07061	30.7
71.60312	7.5
74.00013	3.2
79.05476	25.1
81.07048	38.8
83.04980	3.8
83.08593	7.5
85.06557	3.6
89.06013	7.1
91.05470	40.5
93.07046	44.9
95.04961	50.6
95.08597	30.2
97.06541	7.0
103.05455	3.7
105.07021	100.0
107.04939	5.1
107.08598	28.1
109.06480	17.4
109.10146	16.6
111.08099	4.3
113.00001	9.5
115.05457	4.9
115.07588	6.8
117.07027	17.3
119.04939	4.2
119.08571	70.3
121.06487	15.8
121.10137	21.7
123.08054	24.4
129.07008	8.1
131.00703	3.4
131.08569	18.0
133.10121	21.8
134.07208	3.8
135.08083	12.8
135.11653	7.1
137.09549	5.6
141.07076	4.9
142.07779	10.9
143.08568	12.7
145.06459	4.3
145.10123	44.6
147.08041	14.2
147.11670	35.0
149.09590	10.7
151.07527	22.7
155.08574	5.0
156.09293	8.0
157.10103	24.6
159.08069	8.2
159.11703	12.1
161.09624	13.0
161.13271	7.4
163.07527	3.7
163.11198	4.3
165.09100	34.1
168.09378	6.1
169.02664	4.2
169.10104	12.8
170.02911	3.6
171.03038	4.4
171.11691	10.9
173.09549	4.3
173.13269	11.8
175.09872	4.1
175.11201	21.8
177.09152	7.5
183.11710	9.1
185.13290	9.2
187.11221	4.5
187.14781	5.7
189.12807	7.5
195.11620	4.2
197.13121	4.7
198.07660	7.4
199.07051	4.2
201.12787	9.7
203.14302	11.4
207.13754	7.9
211.11246	3.8
211.14835	5.8
213.12726	4.4
219.13857	3.9
221.13348	4.1
221.15347	64.8
229.15901	6.5
233.15411	5.9
234.16174	10.4
243.11783	4.2
253.02873	3.7
287.19910	7.3
308.09918	4.2
329.20889	5.2
391.26532	7.7
409.27322	43.7
409.32843	4.6
409.34723	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	409.2735
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
52.70557	1.7
53.03939	4.6
55.01863	3.3
55.05507	16.2
57.03418	1.7
57.07080	15.6
58.10776	1.8
59.04995	5.8
62.94642	1.8
65.03911	3.5
67.05499	21.8
69.03405	9.0
69.07065	28.8
71.04971	4.4
79.05486	22.7
81.03391	2.6
81.07050	39.8
83.04974	6.9
83.08633	3.9
85.06529	4.4
89.06006	3.0
91.05476	42.3
93.07036	49.6
95.04967	59.0
95.08041	3.6
95.08600	43.3
97.06528	13.4
103.05450	3.5
105.07025	100.0
106.07330	4.0
107.04951	2.6
107.08595	28.1
109.06519	12.0
109.10147	15.5
114.53355	1.9
115.05434	3.9
115.07546	6.6
117.07018	15.8
119.04895	2.8
119.08567	75.1
121.06532	20.4
121.10143	19.0
123.08070	28.0
123.11723	2.3
128.06197	3.2
129.01009	3.0
129.07048	10.0
130.07768	6.1
131.08568	29.2
133.06477	4.8
133.10115	24.4
135.08031	17.2
135.11681	4.9
137.05966	2.6
137.09604	12.4
139.69380	1.9
141.06906	3.1
142.07787	14.1
143.08565	27.7
144.09344	4.1
145.06447	2.6
145.10127	40.5
147.08055	20.8
147.11674	39.6
149.09630	13.7
150.10258	19.7
151.07529	30.6
153.07010	2.6
153.09047	2.4
155.08522	12.1
156.09328	6.5
157.10117	24.8
159.08054	6.7
159.11703	17.5
161.09595	9.5
161.13248	5.4
163.11195	10.6
165.09102	37.0
167.08574	3.7
168.09381	7.0
169.10120	15.9
171.11630	16.4
172.77209	1.9
173.09576	6.3
173.13248	8.1
175.11198	27.0
175.14728	3.2
177.09073	6.8
181.10083	5.8
181.12160	2.9
182.10934	3.2
183.11633	12.1
185.09659	2.9
185.13237	6.8
187.11166	6.8
187.14825	3.4
189.12761	9.5
191.14307	4.1
193.10153	3.8
195.11659	4.7
196.12357	3.4
197.07268	6.3
197.13246	3.7
199.11177	3.8
199.14809	3.4
201.12813	10.9
201.16418	2.0
203.14359	18.8
207.11903	3.8
207.13815	11.5
209.13327	4.5
209.15350	5.3
211.14864	8.7
213.12753	2.2
213.16278	2.3
215.14191	2.5
219.13751	4.5
221.15355	83.8
223.14859	3.5
225.16393	2.3
227.14337	3.2
229.15921	9.3
229.55135	2.8
231.13741	4.6
233.13245	2.5
233.15382	5.4
234.16112	13.7
235.14787	3.0
239.14261	3.5
253.15849	3.0
271.16974	2.9
286.19260	6.0
287.19992	7.4
300.20810	4.8
313.21375	2.6
329.21213	6.6
391.26398	8.8
392.17236	10.5
409.27332	65.7
410.18491	9.3
410.27563	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	409.2196
Annotation	Ser Phe Arg
Peak:m/z	Relative Intensity
55.05500	0.8
56.96553	1.2
57.04278	0.4
67.05489	0.7
69.07063	1.0
71.59287	0.5
79.05472	0.6
81.07036	1.2
83.08604	0.6
84.08129	0.6
87.06838	0.4
87.72290	0.5
88.24019	0.5
91.05486	1.0
93.07030	1.1
95.08595	1.1
98.17442	0.5
105.07052	1.1
107.04958	5.1
107.08590	0.9
109.10121	0.8
119.08574	0.8
130.06511	0.7
195.11653	0.5
201.12563	0.5
217.03079	0.5
221.12631	0.5
234.09720	0.4
238.18192	0.5
309.19177	0.8
331.15817	1.5
335.18115	0.9
349.16891	1.4
370.63574	0.5
371.19366	0.5
409.21960	100.0
410.22198	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.2
56.13940	0.4
57.03432	0.5
57.07058	1.3
67.05497	4.8
69.03438	0.4
69.07058	3.9
70.04081	0.4
71.59909	0.7
79.05485	3.0
79.82251	0.4
81.03405	0.6
81.07052	3.2
83.04951	0.8
83.08637	0.8
85.02908	0.6
85.06538	0.8
88.58681	0.4
91.05463	2.4
93.07034	2.7
95.04964	1.3
95.08604	2.4
97.06536	0.6
97.10170	0.6
101.52277	0.5
105.07038	1.4
107.04922	1.3
107.08579	1.5
109.06554	0.5
109.10133	2.6
115.07549	0.7
117.07005	0.6
119.08567	0.9
121.10142	0.8
123.08076	0.4
129.07021	0.5
131.08629	0.5
133.10147	0.9
135.11713	1.3
143.08542	0.4
144.66330	0.4
145.10129	0.8
147.11711	0.8
157.10173	0.5
160.26686	0.5
163.11172	0.5
169.10117	0.5
173.11786	1.2
175.11119	0.5
197.07320	0.6
251.63670	0.5
281.88971	0.4
295.15192	0.6
309.16629	0.6
409.25592	100.0
410.14252	0.9
410.20328	0.7
410.25900	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	409.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08751	0.5
53.03943	0.7
55.05495	2.2
56.42998	0.4
56.96561	1.2
57.03427	0.8
57.07051	2.0
57.07301	0.5
59.42459	0.5
66.80996	0.5
67.05496	7.7
69.07056	4.8
72.08159	0.8
79.05505	3.8
81.03412	0.8
81.07032	4.6
83.04976	0.6
83.08601	1.1
85.02897	0.6
91.05474	2.8
93.07027	3.6
95.04939	0.9
95.08604	2.6
97.06541	1.0
97.10141	0.9
105.07054	2.4
107.04903	1.2
107.08595	2.9
109.06532	0.6
109.10152	4.0
117.06994	0.7
119.08584	1.5
121.06465	0.6
121.10107	0.6
125.09547	0.6
126.99511	0.4
129.06915	0.5
131.08525	0.7
133.10118	1.0
135.11668	2.9
142.43896	0.5
145.10167	1.1
173.11737	1.7
185.98033	0.6
191.00122	0.5
197.07315	1.4
216.03748	0.5
216.06682	0.5
269.17389	0.5
271.10129	0.5
275.19904	0.5
315.04935	0.9
331.15845	0.6
349.16757	1.3
367.18042	0.8
409.09326	1.4
409.25586	100.0
410.13937	2.3
410.25949	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	409.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96575	12.5
58.34713	4.9
69.25420	21.3
69.25848	36.6
70.06593	30.6
72.10990	5.7
76.87441	5.2
88.47640	6.2
100.45863	5.0
101.14993	5.4
105.73490	5.8
107.04953	30.4
119.04972	6.8
120.08076	6.3
122.13451	5.3
145.02882	9.7
146.05988	15.4
147.04408	32.2
172.05418	6.8
177.05496	15.4
185.04248	7.0
188.07082	17.5
191.17960	6.2
199.03613	6.4
199.99937	5.6
205.09735	8.0
213.12338	10.0
233.02713	9.8
234.96956	7.2
252.97937	16.7
291.34573	6.3
298.70459	6.0
310.17670	7.6
409.11139	100.0
410.11176	8.9
426.36771	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	409.183
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96532	0.5
67.05479	0.5
68.25660	0.3
69.03407	0.4
70.06571	0.9
71.06408	0.9
72.08150	0.6
72.32323	0.3
79.05457	0.7
81.03397	0.4
84.08125	0.7
85.02883	0.7
86.09695	0.5
88.99579	0.3
92.75668	0.3
93.06997	0.4
98.97569	0.4
100.92932	0.3
105.07021	0.5
107.04937	3.7
107.08537	0.3
109.10183	0.3
120.08094	0.7
128.98633	0.3
130.06496	0.7
132.08046	0.4
149.61475	0.3
151.11101	0.4
158.99910	0.3
188.07086	0.4
191.08192	0.4
207.13608	0.5
234.09111	0.4
236.10596	0.4
247.12996	0.5
259.14380	0.6
265.12842	0.5
269.10428	0.4
271.08054	0.9
315.05112	0.9
409.18253	100.0
410.18579	2.4
431.15726	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	36.8
56.05024	2.3
56.05849	11.6
57.98810	1.3
58.99586	21.3
59.99919	2.3
60.04522	1.1
60.99173	1.3
61.01143	1.6
70.06592	9.3
71.03175	2.2
72.08150	3.6
73.01139	2.3
76.02228	9.8
76.04014	3.5
78.01817	1.8
81.03414	2.1
81.07062	2.8
83.06123	2.1
83.08619	43.6
83.09115	2.3
84.04507	27.4
84.05003	0.9
84.08168	7.1
84.08949	18.8
85.01135	2.1
85.04389	1.4
85.04829	7.7
86.09710	5.2
86.43773	1.1
86.99049	15.8
87.99400	3.4
88.02216	3.8
88.77654	1.0
91.05492	2.2
99.02699	1.0
99.05617	1.7
101.09651	3.1
107.04965	1.4
110.07224	1.0
116.01679	59.0
117.02067	17.7
118.01229	3.2
120.08113	4.4
121.08449	2.5
129.06584	4.3
129.10257	2.8
130.05000	4.7
131.05370	2.1
133.48204	1.0
136.07631	2.0
142.03224	4.7
143.03557	2.4
144.01161	25.3
145.01477	10.2
145.06094	1.3
146.00694	1.6
159.08392	30.0
159.09621	2.0
160.08737	26.5
161.07904	1.1
162.02208	100.0
163.02556	44.2
164.01773	4.5
176.11063	3.2
177.11435	3.8
187.07909	1.2
201.12483	1.3
244.09885	1.3
245.05873	1.6
246.06195	1.4
261.10779	1.6
262.11096	28.4
263.11423	43.6
264.10941	1.3
264.16003	1.2
268.16315	4.5
271.11957	1.3
279.13800	7.3
280.14090	12.8
281.01566	0.9
333.14771	2.8
334.15179	12.7
409.18207	3.3
409.31839	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.7
55.63812	0.3
56.96545	0.8
65.69603	0.3
67.05486	0.6
69.03421	0.8
70.06586	1.9
70.95908	0.6
72.08148	0.5
72.25761	0.4
83.08613	0.5
84.04488	0.5
84.08136	0.8
85.02909	1.6
86.06079	0.3
86.09677	0.7
95.08584	0.6
97.02890	0.8
98.97600	0.6
104.21010	0.3
107.04928	1.5
107.08563	0.4
110.07159	0.6
116.01637	0.6
116.07103	0.5
116.98589	1.0
119.08492	0.3
120.08089	0.6
127.03864	0.3
129.10254	0.5
134.95995	0.4
136.07617	0.7
149.58009	0.3
159.08336	0.4
162.02130	0.6
221.08922	0.3
252.97739	0.4
262.11157	0.4
263.11417	0.5
280.59122	0.4
307.13721	0.4
313.08081	0.6
331.09320	0.6
349.10544	0.6
349.14709	0.5
373.66479	0.3
391.19553	0.5
409.18280	100.0
410.18533	2.0
425.14856	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
54.47026	0.4
55.05509	0.7
57.07087	0.4
65.03929	3.5
67.05495	1.2
69.03435	0.6
69.07080	0.3
69.83282	2.4
70.06567	0.4
79.05493	1.7
80.05004	0.8
81.03410	0.9
81.07060	1.2
85.02911	0.4
91.05484	3.1
93.07022	0.9
94.06568	0.6
95.04992	0.8
95.06084	0.4
95.08579	1.3
97.06544	0.4
100.11257	0.6
104.05009	0.6
105.07049	1.1
106.06551	22.5
107.04953	3.5
107.07361	3.5
107.08547	0.4
108.08094	0.7
109.02863	0.5
109.10162	0.5
111.04449	2.8
115.36886	0.4
116.01663	0.6
116.04974	1.4
117.05794	0.6
118.06513	0.9
119.04936	0.6
119.08539	0.8
120.08098	1.5
121.02863	92.1
122.03193	0.9
124.07607	0.6
129.07011	0.7
130.06563	1.9
131.07317	0.7
132.08060	0.6
136.07573	1.7
137.02341	0.4
145.10146	0.7
146.05975	2.2
147.11679	0.8
148.07568	29.7
149.08298	1.3
150.05479	3.8
158.97629	0.5
164.07074	6.1
166.08633	100.0
167.08882	1.2
171.06740	0.5
174.05545	0.9
174.09143	5.9
180.08076	0.7
182.15305	0.5
183.06779	0.5
192.06548	5.4
194.09587	0.5
197.08223	0.7
198.09126	4.8
199.06265	2.5
206.09502	0.4
208.07591	1.0
209.06506	0.3
209.08342	2.0
211.06306	0.7
212.10675	1.4
222.09106	1.2
223.09959	0.4
224.07066	1.3
224.10698	24.6
225.07837	0.8
226.08626	17.5
229.13362	4.1
240.10188	5.1
244.09671	1.3
250.08672	1.7
254.11618	0.7
268.06836	0.6
268.09695	11.5
271.11505	0.8
271.14417	19.0
286.10724	42.6
287.11414	1.9
289.15451	4.7
303.19025	0.6
315.04980	1.5
360.75577	0.4
365.25266	0.5
373.15256	1.1
375.00308	0.4
391.16412	2.9
409.09076	1.2
409.18188	1.9
409.22998	1.4
409.27356	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.3
53.03942	1.2
55.01868	0.5
55.05497	0.2
61.01714	0.3
65.03934	0.3
67.05499	0.4
69.81573	0.2
70.06590	0.3
77.03933	0.3
79.05482	2.5
81.03407	0.3
81.07011	0.3
91.05476	0.4
91.31021	0.2
94.06557	2.3
95.04959	3.7
95.08597	0.3
97.06544	0.2
98.21504	0.5
105.04492	0.4
106.06546	1.9
107.04950	91.6
108.05271	1.0
108.08126	0.4
110.06023	1.3
120.08106	1.1
122.06023	0.8
123.08060	0.2
124.07548	0.3
131.07309	0.4
132.08139	0.4
134.06009	3.5
136.07532	0.4
137.02338	0.6
141.01778	0.4
144.08075	0.5
146.06087	0.2
146.08382	0.6
146.09641	0.4
148.07539	0.9
150.05544	0.3
152.07059	4.4
153.07837	0.4
156.08052	0.2
157.08884	0.2
158.09515	0.3
159.06841	0.3
159.09212	0.4
160.07513	1.5
161.07065	0.3
163.03935	0.3
166.05003	1.1
166.08650	1.3
170.09648	0.9
171.10376	0.6
172.07552	0.5
172.09909	0.3
172.11185	0.3
173.10760	0.4
174.09108	1.0
185.07050	0.4
185.10760	0.3
186.09224	0.5
186.11412	0.4
187.12276	2.4
188.07069	1.4
196.07648	0.2
197.08553	0.3
197.10773	0.8
198.09123	1.9
199.08609	3.5
200.09387	2.5
201.10243	2.0
202.08626	1.3
202.10759	0.2
204.10052	0.3
210.07755	0.3
211.08769	0.5
212.09142	0.3
212.10962	0.4
213.10245	1.6
214.10951	2.6
215.11786	8.7
225.10172	1.9
226.08636	0.7
227.08260	0.3
229.09734	0.3
229.13371	0.5
231.11336	0.7
232.09804	0.3
232.12004	0.4
239.11772	0.5
240.10167	0.6
241.09702	0.5
241.13309	0.6
242.10329	0.4
243.11278	36.7
244.11742	0.8
245.09241	0.7
256.12103	0.3
257.12766	1.5
258.11185	0.7
259.10721	0.5
260.11520	0.8
267.11368	1.4
268.09634	0.5
273.12250	0.9
273.20328	0.2
274.13156	0.6
275.13922	1.1
285.12357	4.1
286.10730	0.7
287.11542	0.5
293.12848	0.3
297.12292	0.2
300.78577	0.2
302.12454	0.3
303.13373	100.0
304.13779	2.3
315.04950	7.7
316.05145	0.3
335.24274	0.3
358.98553	0.4
360.60809	0.2
376.99490	0.4
386.98492	0.2
391.16672	0.3
404.99515	0.3
409.08795	0.6
409.17554	17.9
409.27246	2.5
410.17694	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62349	0.6
55.05499	1.0
56.05041	2.8
60.04514	2.2
60.66137	0.5
61.01133	0.7
68.05021	1.0
69.03405	0.6
69.07053	1.8
69.55637	4.0
70.06589	21.6
71.06895	1.0
72.08154	9.2
74.06052	1.4
81.03410	0.7
81.07047	1.0
82.14647	0.5
84.04502	5.9
84.08143	13.1
85.02913	0.8
86.06057	0.7
86.09211	1.1
86.09705	13.5
87.05576	1.5
88.03973	1.4
91.05499	1.5
98.06031	1.3
98.09686	0.7
98.21465	1.3
102.05519	1.4
104.10744	0.6
105.07040	1.3
107.04958	2.8
108.05316	0.7
110.07176	5.2
112.08753	1.4
112.11282	0.8
113.80436	0.7
115.08692	1.3
116.07075	1.1
119.04945	0.8
120.08128	3.9
127.08661	0.7
128.07098	0.6
129.10243	7.0
130.04984	1.3
133.06535	2.8
136.07585	5.4
137.09605	0.6
139.08676	0.9
141.10190	0.7
143.11768	1.0
156.07684	1.3
157.09752	0.7
171.08084	0.9
177.03267	0.7
183.11363	0.6
183.14890	0.5
184.07309	1.0
184.73596	0.6
199.07146	0.7
200.14006	0.6
211.11667	0.6
220.66011	0.6
221.05147	0.6
239.10382	0.6
245.21751	0.5
261.10822	0.7
262.11176	1.2
264.15985	0.9
268.16248	1.1
317.08649	0.6
335.09903	1.0
409.14688	100.0
410.15134	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	409.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.01628	2.1
55.01875	22.0
56.96557	2.1
67.05502	3.0
69.07047	2.9
69.97301	2.0
70.06593	4.0
70.65668	6.1
72.08150	1.9
74.38441	1.9
79.05495	6.7
81.07045	3.4
81.64393	1.8
83.08615	2.2
84.08134	3.6
91.05479	11.1
93.07079	3.3
95.04958	7.2
95.08650	2.2
98.21473	2.1
103.05468	16.0
105.07018	11.3
107.04957	96.8
108.49323	1.9
115.05443	2.8
117.07011	5.0
119.04940	11.3
119.08622	2.7
121.02881	4.7
121.06493	19.8
128.06233	2.4
129.06987	2.8
131.04935	85.7
132.05753	22.2
133.06523	12.0
135.04417	2.7
143.04964	2.2
145.06537	15.7
147.04382	4.2
152.59113	1.9
157.06487	5.6
159.11674	2.3
165.07048	5.7
169.06461	4.7
172.95238	7.2
178.07799	8.0
179.08548	3.2
181.06474	4.0
183.08150	2.1
189.07001	3.6
190.07793	3.8
190.96265	5.4
191.08623	4.8
193.10150	4.3
195.08133	2.4
202.07796	22.5
203.08568	24.0
205.06474	5.4
205.10176	3.1
206.07222	4.7
207.08046	8.7
213.07019	7.4
215.08614	14.4
218.07288	6.2
219.08125	14.8
221.06009	3.0
221.09644	7.0
222.06853	2.9
223.07500	4.4
226.07877	4.1
227.08559	5.0
228.09348	3.0
231.08057	42.8
232.08730	5.2
233.06166	4.8
233.09630	11.8
234.06731	4.1
235.07607	7.0
239.08545	4.6
241.06546	2.9
241.09973	2.4
242.07329	9.9
243.08087	14.9
244.08829	9.4
245.09622	8.8
247.07523	11.7
248.08270	3.6
249.09140	10.7
251.06949	12.9
252.09445	2.2
255.08080	7.7
256.08795	3.5
257.09567	12.5
258.06866	2.8
259.07556	66.9
260.08319	21.3
261.09094	32.1
262.09824	5.8
268.08835	3.3
269.09680	7.4
271.07523	7.1
272.08380	3.3
273.09100	13.6
274.09888	3.5
275.10641	2.3
277.08563	32.1
278.09131	3.1
279.10214	3.3
279.14880	2.0
281.09622	2.2
284.08188	2.8
285.09146	6.3
287.10873	3.1
289.08408	14.0
290.09280	9.6
292.08844	4.4
293.09741	3.6
297.09143	6.6
298.09747	2.8
301.08563	3.1
302.41193	2.4
303.10132	9.2
305.09613	4.2
307.11136	2.9
313.10187	2.7
315.10468	4.5
318.10309	4.6
319.11142	12.1
320.11990	3.2
321.09164	2.9
322.09723	2.0
323.10535	3.2
326.10919	3.3
327.11429	3.7
329.09656	5.4
330.10370	6.1
331.11041	5.0
334.09921	3.2
335.10669	6.9
335.14233	2.3
337.12546	3.2
343.11380	2.6
344.11920	6.0
345.09082	3.4
345.12741	12.0
346.13449	2.7
347.10596	12.5
348.11450	9.3
349.12134	9.1
351.10135	3.3
353.11429	2.2
355.11072	4.1
356.11597	2.7
358.09879	3.3
359.10834	5.1
361.12485	2.5
362.12973	3.5
363.10062	4.2
363.13770	16.8
365.11765	22.4
366.12228	3.1
367.09653	3.0
372.11426	2.3
373.12207	28.6
374.12878	5.2
376.10934	6.9
377.11319	2.4
379.13416	3.0
381.11148	2.3
381.14981	25.3
390.12640	2.9
391.13290	100.0
392.13593	6.2
409.14319	76.2
409.31570	4.7
410.14777	4.7
427.12012	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	409.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06583	2.1
71.58683	0.8
72.08170	0.8
79.17381	0.5
83.06035	0.5
84.04499	0.7
84.08129	1.0
86.09680	2.1
107.04959	6.0
108.05275	2.6
119.04980	0.7
120.08060	0.8
145.02811	0.9
147.04449	0.8
161.05952	0.7
163.03925	1.0
175.03792	0.6
185.04218	7.6
206.53900	0.5
207.06520	0.8
223.36034	0.6
232.77689	0.6
233.02765	0.6
234.96875	1.8
246.05017	2.1
247.05788	8.2
248.94891	0.7
252.97968	5.6
257.48724	0.6
318.98929	1.9
350.78000	0.5
352.39667	0.6
365.12161	0.6
378.09476	0.6
409.11023	100.0
410.11276	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.1
56.05017	0.5
56.05841	0.6
58.99573	1.4
69.03404	0.6
69.07059	0.7
70.06583	5.0
70.38892	2.0
72.08131	1.9
74.00632	1.3
76.02208	0.9
76.03991	0.6
79.05477	0.9
81.07024	0.5
83.06128	0.6
83.08610	3.6
84.04508	3.2
84.08137	1.9
84.08934	1.5
85.04007	1.1
85.04829	0.6
86.06072	0.5
86.09682	2.0
86.99028	1.4
88.02213	0.5
91.05466	0.8
93.07037	0.6
98.97559	0.6
99.86576	0.5
102.05527	0.6
107.04951	3.1
110.07150	1.8
116.01656	6.6
117.02077	1.0
118.01228	0.6
119.04929	1.1
120.08099	1.2
121.06590	0.5
121.07639	0.4
121.10086	0.7
129.10199	1.0
130.04991	1.1
131.04515	0.8
131.08545	0.4
136.07579	1.3
142.87839	0.5
144.01134	3.2
145.01462	0.9
147.04370	1.0
149.09560	1.3
159.08374	2.8
160.08667	1.8
162.02194	8.5
163.02524	2.9
163.27798	0.5
175.03949	0.9
177.03255	3.0
185.04167	2.5
207.06419	0.7
246.04901	1.3
247.05759	17.6
261.10724	0.5
262.11081	2.8
263.11392	3.6
265.12692	0.6
279.13690	0.6
280.13806	0.7
303.14154	0.6
333.14917	0.6
334.15048	1.3
337.11966	0.9
351.18970	0.6
355.13199	1.0
367.75015	0.5
391.19431	1.9
396.71567	0.5
409.10956	100.0
409.18246	71.2
410.11340	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0917
Annotation	8-p-Hydroxybenzylquercetin
Peak:m/z	Relative Intensity
55.01864	2.2
56.96526	0.4
67.05474	0.4
68.99773	0.3
69.03409	0.4
69.67307	0.4
69.67698	1.7
70.06574	1.3
71.04933	0.3
72.08102	0.3
79.01817	0.7
79.05458	0.7
80.79305	0.2
81.03354	1.1
83.04918	0.3
84.04462	0.4
84.08088	0.9
85.02844	0.7
86.09658	1.1
87.04424	0.6
91.05433	0.6
93.03363	0.4
95.04912	0.5
95.08543	0.3
97.02855	0.6
98.20724	0.3
103.05385	0.3
105.06973	0.4
107.01324	2.0
107.04942	3.5
109.02833	0.6
115.05416	0.5
120.08053	1.1
121.02841	1.2
121.06499	0.6
121.08408	0.3
123.04355	0.7
127.03889	0.5
129.06978	0.3
129.30066	0.2
131.04893	0.8
133.06412	0.3
135.04344	0.3
137.02332	17.1
137.03375	1.0
137.05939	0.3
139.03854	0.3
139.05333	0.4
141.01790	0.6
143.04840	0.5
145.06465	0.4
147.04338	0.7
149.02286	1.0
149.05910	0.8
151.03835	0.4
157.06488	0.3
158.11722	0.4
161.05928	1.1
163.03902	2.4
165.01834	4.7
171.04320	0.9
173.05916	0.4
175.03903	0.3
177.01860	0.3
179.03287	0.5
183.02881	4.0
185.05916	0.9
187.03870	1.2
189.01830	0.3
189.05438	6.0
191.03421	0.4
197.05934	0.3
199.03822	1.2
207.02759	0.3
213.05450	2.0
217.04927	2.8
219.02870	0.5
227.03354	1.0
230.15378	0.4
231.15717	0.4
241.04944	1.8
243.11314	0.5
245.02133	0.5
245.04451	6.3
259.06085	1.4
269.04480	1.5
272.12888	0.3
273.03848	0.5
287.05386	1.4
297.03818	0.3
303.04794	0.5
303.13306	1.0
315.04947	100.0
316.05225	2.3
377.09955	0.3
409.09146	87.8
410.09399	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	409.0917
Annotation	8-p-Hydroxybenzylquercetin
Peak:m/z	Relative Intensity
55.01872	1.7
67.05475	0.2
68.99738	0.6
69.03403	0.2
69.72116	0.8
70.06569	0.2
81.03358	0.4
81.07022	0.3
85.02828	0.2
91.05410	0.2
95.04919	0.3
98.21474	0.2
99.00774	0.2
107.01269	0.2
107.04951	0.9
109.02832	0.3
121.02810	0.6
123.00793	0.3
123.04380	0.3
127.03858	0.3
129.06978	0.2
131.04849	0.3
137.02336	9.4
137.03384	0.7
139.03833	0.1
139.05353	0.2
141.01819	5.3
147.04417	0.2
149.02231	0.3
149.05913	0.3
151.03825	0.2
155.03337	0.1
157.06467	0.3
161.05960	0.3
163.03896	2.5
165.00531	0.2
165.01826	3.2
167.03329	0.2
167.04852	0.3
171.04355	0.4
177.01897	0.1
179.03392	0.3
183.02884	3.0
183.04480	0.2
185.06044	0.7
186.96762	0.1
187.03932	0.9
189.05463	0.7
197.05913	0.1
199.03876	0.5
207.02837	0.1
213.05461	1.3
217.04915	1.0
219.02852	0.3
227.03296	0.3
231.06525	0.3
241.04942	2.0
243.11330	0.2
245.04456	0.7
256.99606	0.1
259.06024	0.8
259.12088	0.2
269.04376	0.5
287.05463	0.9
297.04227	0.2
303.13306	0.4
314.03903	0.2
315.04956	100.0
316.05310	2.6
409.09177	10.3
410.09360	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.9
55.05488	0.3
61.02906	0.2
65.03931	0.3
67.05466	0.4
68.99747	0.6
69.03385	0.4
69.30534	0.9
69.30961	1.1
70.06593	1.1
71.01305	0.2
72.08114	0.2
74.51127	0.2
76.02674	0.2
79.01809	0.6
79.05460	0.4
80.66148	0.2
81.03387	1.0
81.07000	0.4
83.08582	0.3
84.04480	0.3
84.08073	0.5
85.02856	0.5
86.09646	0.8
87.04443	0.2
91.03923	0.3
91.05457	0.4
93.03368	0.4
93.07012	0.3
95.04915	0.6
95.08555	0.2
97.02843	0.3
98.21432	0.3
103.05398	0.5
105.06973	0.3
107.01308	1.9
107.04292	0.2
107.04948	3.1
107.08546	0.3
108.05231	0.3
109.02827	0.4
109.10094	0.5
110.03614	0.3
114.56964	0.2
115.05406	0.5
119.08539	0.4
120.08051	0.8
121.02846	1.4
121.06461	0.4
123.04396	0.6
124.07561	0.2
127.03867	0.6
129.06876	0.3
129.10176	0.2
131.04918	0.9
133.06409	0.2
134.99620	0.2
135.04407	0.2
135.09103	0.2
136.07559	0.2
137.02332	15.7
137.03366	0.9
138.02570	0.2
139.03853	0.4
139.05383	0.4
141.01762	0.5
141.06854	0.2
143.04910	0.4
145.06400	0.3
147.04333	0.6
149.02316	1.1
149.05948	0.5
151.03809	0.2
153.01784	0.3
155.04810	0.3
157.06418	0.3
158.11748	0.2
159.04347	0.4
161.05960	1.0
163.02641	0.1
163.03900	2.6
165.01817	5.3
167.04884	0.5
171.04382	1.5
173.05919	0.4
177.01772	0.5
179.03311	0.5
183.02870	3.7
185.05948	1.1
187.03880	0.9
189.05457	6.1
191.03429	0.3
193.54732	0.2
195.02724	0.2
195.04417	0.2
197.05876	0.2
199.03949	1.5
203.07095	0.2
203.46425	0.2
207.02800	0.4
213.05440	2.2
215.03435	0.3
217.04964	2.5
219.02945	0.2
223.04080	0.2
227.03346	1.0
231.06473	0.3
241.04897	1.7
245.04442	6.4
250.12679	0.2
255.02835	0.3
259.06015	1.5
269.04382	0.9
271.11993	0.2
273.03870	0.6
286.04410	0.2
287.05505	1.5
297.03885	0.6
303.04935	0.4
303.13199	1.0
315.04944	100.0
316.05319	3.1
377.09753	0.3
391.16476	0.3
409.09146	93.6
410.09509	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.3
65.03905	0.3
67.05482	0.1
68.99757	0.6
70.00508	0.3
70.00925	0.5
79.01804	0.7
81.03358	0.5
91.05412	0.2
93.03352	0.5
95.04901	0.4
95.59402	0.1
96.59224	0.1
97.02922	0.2
103.05436	0.4
107.01311	2.1
107.04937	2.3
109.02820	0.4
110.03592	0.3
115.05402	0.4
117.52918	0.1
121.02844	1.4
123.04394	0.3
127.03864	0.4
129.07001	0.2
131.04916	0.9
133.06453	0.3
137.02325	16.8
139.03835	0.3
139.05397	0.4
141.01761	0.6
143.04866	0.4
147.04352	0.4
149.02322	1.0
149.05933	0.3
151.03882	0.2
153.01755	0.2
155.04848	0.2
157.06480	0.4
159.04362	0.3
161.05956	0.7
163.03888	2.4
165.01814	5.7
167.04863	0.4
171.04414	1.0
173.05942	0.4
177.01743	0.4
179.03377	0.3
183.01320	0.2
183.02882	3.4
183.04463	0.3
185.05957	1.2
187.03864	1.2
189.05440	6.2
191.03311	0.3
195.02805	0.2
195.04367	0.4
199.03883	1.3
203.06984	0.2
205.04893	0.3
207.02856	0.3
213.05435	2.1
215.03333	0.4
217.04944	2.1
219.02951	0.3
223.03943	0.3
227.03354	0.9
229.04956	0.2
231.06531	0.4
241.04907	1.9
243.11298	0.3
243.64101	0.1
245.04434	6.2
259.05984	1.5
268.45016	0.1
269.04385	1.0
271.12012	0.5
273.03906	0.5
287.05460	1.5
297.03839	0.4
303.05023	1.8
303.13531	0.8
315.04932	100.0
316.05270	2.6
378.63821	0.1
391.16196	0.2
409.09122	87.2
410.09436	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	409.091
Annotation	8-p-Hydroxybenzylquercetin
Peak:m/z	Relative Intensity
55.01868	2.0
65.03926	0.4
68.99779	0.8
69.32320	0.3
69.32743	0.7
77.64591	0.1
79.01856	0.5
81.03423	0.6
85.02859	0.1
89.36623	0.1
91.05478	0.2
93.03390	0.4
95.04946	0.5
97.02885	0.3
98.20685	0.2
100.11234	0.2
103.05456	0.3
105.07035	0.2
107.01308	2.1
107.04946	1.1
109.02882	0.6
110.03646	0.2
111.04391	0.1
115.05433	0.5
117.06958	0.1
119.04932	0.1
121.02855	1.5
121.06533	0.1
123.00796	0.2
123.04414	0.4
125.02361	0.1
127.03909	0.5
128.06197	0.1
129.06973	0.3
131.04890	0.9
133.02921	0.1
133.06468	0.2
135.04364	0.2
137.02330	18.5
138.02654	0.3
139.03877	0.2
139.05385	0.4
141.01810	0.8
141.07057	0.1
143.04921	0.5
145.02847	0.2
145.06453	0.2
147.04436	0.5
149.02336	0.9
149.06036	0.6
149.20084	0.1
151.03876	0.4
155.03406	0.2
155.04918	0.3
157.06468	0.6
159.04417	0.4
161.02356	0.1
161.05986	1.0
163.03893	2.7
165.01819	6.0
166.15883	0.2
167.04910	0.4
169.06483	0.2
171.04399	1.3
173.05943	0.4
175.03908	0.4
177.01807	0.4
177.05473	0.1
179.03412	0.3
183.02873	3.7
183.04497	0.2
185.05963	1.2
187.03870	1.4
189.05453	6.7
191.03421	0.3
195.02806	0.2
195.04411	0.4
196.60571	0.1
197.06169	0.2
199.03912	1.5
201.05482	0.1
203.07056	0.2
205.04962	0.2
207.02855	0.3
213.05450	2.4
215.03418	0.3
217.04958	3.0
219.02937	0.3
223.03893	0.2
227.03348	1.2
231.06551	0.6
241.04935	1.6
245.04433	6.2
255.02863	0.3
259.06006	1.5
269.04477	1.3
273.03888	0.4
287.05472	1.7
297.03973	0.3
303.04929	0.5
303.13327	0.3
315.04941	100.0
316.05292	2.2
409.09134	86.4
410.09491	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57688	8.8
72.75504	4.2
77.00928	9.2
101.00867	16.2
108.33262	4.0
113.00871	4.3
114.81130	5.0
115.02464	6.0
119.01929	100.0
120.08066	6.0
131.01933	54.3
133.03465	46.8
137.02951	17.6
143.01884	45.3
145.03488	34.9
147.04359	10.4
149.02948	13.8
151.04510	8.0
155.01892	34.0
157.03456	17.7
159.01360	4.7
161.02956	88.7
163.04510	9.3
168.99835	5.3
169.03531	6.3
171.01434	9.0
173.02975	66.9
174.03137	5.3
175.04514	10.9
177.02493	4.7
179.04031	5.2
183.01357	4.3
184.04570	7.4
185.03003	20.3
187.00919	14.8
187.04495	10.2
189.02451	23.2
191.04044	16.1
197.02975	22.9
199.00906	10.9
199.04451	4.9
201.02489	15.3
203.03969	22.9
207.03589	6.7
211.01085	4.1
212.60370	4.0
215.00418	11.7
215.03986	6.8
217.02003	37.2
219.03555	18.1
221.05104	10.9
229.01920	7.5
231.03531	30.0
239.06047	7.5
243.03497	8.9
245.05045	15.8
247.02866	10.0
249.04539	8.3
259.03012	14.2
261.04480	8.7
263.06155	10.7
265.05557	6.1
275.02438	9.6
275.05930	4.8
280.62512	4.9
289.03964	44.0
301.03882	27.0
307.05087	74.7
319.05069	35.9
330.06805	6.1
333.06790	6.0
349.07324	9.4
367.08542	7.0
409.09802	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	409.0579
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46695	2.2
53.03935	3.5
55.01854	5.9
55.05498	6.5
55.93508	4.0
56.96554	4.2
56.99410	2.2
57.03436	4.4
61.02913	2.2
67.05492	17.5
69.03407	6.5
69.07046	6.6
69.52832	17.4
70.06576	9.0
70.95854	4.3
71.04993	2.5
72.08122	2.9
72.93774	6.3
79.05485	12.5
80.05019	15.1
81.03394	8.4
81.05329	2.7
81.07053	16.4
82.06559	2.5
83.04967	3.3
83.08629	2.2
84.04481	3.0
84.08131	4.8
85.02894	4.9
86.09715	3.2
87.04446	10.1
88.04812	2.8
90.94814	4.8
91.05465	18.3
93.07040	11.8
95.04957	7.8
95.06084	15.1
95.08604	12.0
96.06452	3.0
97.02913	3.7
98.06033	5.7
98.97649	2.2
103.05453	2.9
105.07023	22.5
107.04943	100.0
107.08595	9.6
108.05276	14.2
109.06508	4.1
109.10149	9.1
110.07156	4.5
114.34192	2.1
117.07008	4.5
118.06503	2.6
119.08566	8.7
120.08110	5.8
121.06484	6.7
121.10131	6.6
123.08037	7.7
125.09624	3.6
131.08545	5.6
133.06473	3.2
133.10144	3.4
134.09634	6.1
134.97284	3.1
135.11725	3.9
137.02328	7.5
137.09547	2.3
143.08533	3.9
144.08073	4.1
145.06488	3.7
145.10094	5.5
147.11722	4.1
159.08020	3.3
159.11591	3.5
162.02087	2.3
164.99925	3.3
165.01915	2.3
166.08664	10.9
173.09297	2.1
174.10236	11.8
175.10622	7.3
178.97942	3.1
180.99431	3.8
184.09645	4.7
185.11530	2.5
189.03636	5.7
189.05249	2.6
189.12724	2.9
189.16350	2.7
190.73074	2.2
192.99405	5.7
193.12384	2.5
196.98909	2.6
197.12883	11.0
198.09103	2.3
198.15997	2.2
200.02779	3.3
211.00421	3.9
212.14212	2.7
242.11905	2.7
243.04568	3.2
245.04584	2.8
261.05679	6.3
263.03592	9.8
264.23221	5.0
266.16522	4.2
267.16376	2.7
272.20007	3.0
275.03674	3.1
275.11526	3.1
281.04758	10.2
287.11478	8.0
302.18524	13.1
303.13620	3.3
303.19156	25.5
305.04657	8.8
315.04990	49.4
317.06360	2.7
318.06934	3.4
323.05746	10.9
364.24954	6.5
365.25128	6.8
373.28409	6.9
376.99506	7.8
391.29587	7.5
408.22882	4.8
408.27307	17.8
409.09396	19.8
409.17377	9.6
409.22925	41.9
409.27802	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	408.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.6
53.03931	0.8
53.31197	0.2
55.05497	0.3
57.06822	0.3
57.07074	5.6
67.05501	0.6
69.07063	7.3
69.61713	0.8
69.62140	1.1
70.06568	0.3
70.07842	0.4
75.81626	0.3
77.03907	0.5
79.05484	4.0
81.07030	0.4
87.04432	0.3
89.06026	4.2
91.05448	1.7
93.07037	1.2
95.04959	2.7
98.21522	0.2
99.00002	0.4
103.05471	3.1
105.07021	100.0
106.07343	0.9
107.04916	0.3
113.01528	0.3
115.07531	1.5
119.04906	0.5
119.08572	0.5
121.06496	6.1
126.99469	0.6
129.01030	1.4
129.07027	0.8
131.00734	0.3
131.08591	0.4
135.08017	0.4
141.01016	1.6
143.00780	0.3
145.10156	0.3
147.08034	2.0
149.09642	0.7
155.02553	0.5
163.11174	0.6
165.09108	1.2
169.04178	0.8
183.10150	25.4
191.10646	1.1
197.07285	3.7
199.07072	0.6
209.13345	1.5
222.04230	0.5
223.11169	1.0
225.06761	0.4
251.14401	0.4
287.16354	1.3
324.10925	0.4
408.16785	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	408.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85398	0.2
51.02366	0.3
53.03927	0.7
55.05515	0.4
57.07070	5.7
59.31898	0.2
67.05501	0.3
69.07061	7.4
69.33675	2.0
70.06568	0.4
70.07404	0.2
70.07832	0.5
71.08624	0.3
71.25449	0.2
77.03929	0.4
79.05487	3.7
81.07050	0.2
83.08554	0.2
87.04449	0.2
89.06021	3.6
90.04699	0.2
91.05486	1.0
93.07036	1.1
95.04967	2.8
103.05455	2.8
105.07021	100.0
106.07356	0.8
113.01584	0.3
115.07578	2.3
117.07020	0.2
119.04958	0.5
119.08562	0.9
121.06496	6.0
126.99476	0.5
129.01015	1.0
129.07010	0.8
131.08644	0.3
141.01016	1.4
143.00705	0.5
147.08017	2.4
149.09608	0.8
155.02580	0.6
157.95924	0.2
163.11211	0.4
165.09071	1.1
169.04182	0.7
183.10152	23.1
184.10619	0.4
191.10693	0.8
197.07253	3.8
199.06989	0.8
207.05750	0.3
209.13303	1.5
220.02609	0.2
222.04262	0.4
223.11194	0.7
251.14433	0.4
285.14896	0.2
287.16422	0.9
306.09995	0.3
324.10971	0.4
339.41776	0.2
380.60187	0.2
408.16840	2.3
409.16940	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.01872	0.7
55.05504	2.1
56.05023	0.7
56.96578	0.8
60.70660	0.5
67.05493	3.5
68.05018	2.3
69.07056	1.9
69.46046	4.2
70.06586	0.6
72.48503	0.6
77.03934	0.8
79.05482	3.9
79.35591	0.5
80.05013	10.4
81.03406	0.9
81.04523	1.7
81.07050	4.0
83.06097	1.0
83.08611	1.0
84.04512	1.0
84.08131	0.7
85.02892	0.8
86.09701	0.7
87.04494	0.9
88.69477	0.6
91.05483	2.9
93.07034	1.6
94.06568	1.8
95.04977	2.6
95.06083	37.0
95.08588	8.2
97.06532	0.6
98.21510	0.9
103.05444	0.6
105.06982	2.8
106.06549	2.2
107.04948	100.0
107.08527	0.8
108.05280	1.4
112.08736	1.3
117.07057	0.5
118.06537	2.1
119.08574	0.8
120.08067	3.0
121.02869	2.2
121.06489	3.2
121.10144	0.9
123.08057	9.5
130.06522	1.3
131.08514	1.1
132.08093	1.2
133.10123	0.7
137.02335	1.0
146.09572	0.6
147.09142	0.7
155.08508	0.6
158.97629	1.1
159.08177	0.5
162.02231	1.8
162.10249	11.5
166.08548	0.6
172.08698	3.1
172.11142	2.7
174.10263	29.8
175.10541	0.6
176.14352	0.9
178.05040	0.7
184.07306	0.6
184.11189	5.3
188.08269	0.6
188.11839	0.7
190.12276	0.7
198.09148	0.9
200.11826	1.0
202.09813	1.1
202.12267	0.9
208.13429	0.6
214.08723	1.0
220.13310	1.5
226.08554	0.6
242.11720	0.8
242.16449	1.0
256.18082	2.1
258.11163	0.6
262.11234	0.5
266.16507	11.1
272.20096	1.7
284.06247	0.6
284.17548	8.7
286.10724	1.9
287.11560	1.9
290.21091	0.9
291.61560	0.6
302.18604	79.0
303.13342	0.8
303.18930	2.2
313.07062	1.4
314.07364	2.5
314.18723	1.5
315.04892	1.4
372.95285	0.5
399.92029	0.6
408.11716	5.3
408.22763	77.5
408.27231	3.9
409.08850	1.1
409.17984	0.9
409.22583	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	408.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.5
55.01881	1.6
55.05503	4.4
56.05041	1.9
57.03449	7.2
62.06093	27.3
66.54269	1.4
67.05495	7.2
69.03419	1.6
69.07088	3.1
70.04570	2.9
70.04958	4.5
70.06599	15.8
71.04974	1.8
72.08128	8.5
72.93804	1.6
76.02178	2.2
79.05489	6.8
81.03416	52.8
81.07050	6.5
82.06561	3.6
83.04997	2.3
83.08620	9.1
84.04495	6.2
84.08145	15.7
85.02898	2.6
86.09708	21.9
87.10012	1.8
91.05479	23.4
92.05838	2.1
93.07049	5.1
95.04955	13.0
95.08595	3.7
97.02872	2.1
98.98476	7.4
102.05529	2.3
104.10756	4.8
105.07026	8.4
107.04963	6.9
107.08587	3.3
109.06525	4.9
110.07160	4.3
111.08063	1.7
112.11296	1.9
114.67985	1.6
116.01690	1.9
117.06982	1.9
119.04948	2.6
119.08586	8.3
120.08089	10.3
121.06508	3.7
121.10152	3.0
123.04403	1.9
124.01537	1.7
125.00014	2.4
129.07028	3.7
129.10229	5.8
130.04999	2.6
131.08551	3.4
133.06505	2.7
133.10152	4.0
135.07944	1.8
136.06209	1.6
136.07585	4.0
145.10123	1.6
147.08102	2.0
147.11659	3.5
149.09615	3.2
155.01082	4.1
157.10097	4.8
158.97444	2.1
162.02249	4.3
163.11168	1.9
175.11218	5.2
184.07359	4.8
193.12231	22.3
198.05350	1.7
223.13217	2.2
227.73637	1.6
231.13849	1.8
234.98949	2.8
236.16460	10.9
249.12540	2.0
249.15009	4.8
267.15906	100.0
268.16138	2.0
290.97644	1.5
293.22382	1.7
325.03558	11.8
343.22720	1.8
347.12439	7.2
390.16614	2.7
398.55798	1.6
408.17712	2.4
408.29163	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	408.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	26.4
55.05784	1.3
58.99587	14.4
61.01146	2.0
70.06590	1.7
70.76855	2.7
70.77176	1.0
73.01143	2.1
75.77591	1.1
76.02235	6.4
76.04008	3.8
78.01779	1.0
79.05479	1.6
81.03421	3.2
81.07047	2.3
83.06105	1.1
83.08141	2.4
83.08618	35.7
84.04507	18.5
84.08163	1.1
86.99049	13.5
88.02206	3.2
91.05475	1.2
98.93217	1.3
99.05599	1.2
101.09662	2.9
102.05519	1.3
105.85328	1.0
107.08571	1.7
116.01676	52.1
120.08112	1.5
121.49758	1.2
129.06586	3.9
129.07426	1.3
130.05045	2.9
140.72324	1.0
141.07367	1.7
142.03271	5.2
144.01137	25.1
145.06133	2.7
158.08070	1.4
159.08392	37.3
162.02203	100.0
164.66551	1.1
176.11076	4.8
187.07896	2.1
193.12225	1.4
198.09171	1.1
205.08951	1.3
244.09990	1.9
261.10846	3.7
262.11090	42.4
267.15887	5.8
279.13724	14.2
333.14777	8.4
339.15479	1.3
391.14670	1.1
408.18008	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77679	0.5
55.05505	29.5
56.05014	1.0
56.72631	0.5
58.99577	14.7
61.01132	1.0
63.97702	0.5
69.94041	2.4
69.94449	1.1
73.01122	1.2
76.02218	5.8
76.03979	4.0
81.07037	1.0
83.06091	2.5
83.08610	41.9
84.04495	18.7
86.98521	0.9
86.99036	11.7
87.02713	0.6
87.08591	0.5
88.02198	2.9
99.05558	1.5
101.09628	1.8
105.00072	1.2
107.08586	1.1
115.05777	1.4
116.01662	59.1
129.06561	4.1
129.07376	1.1
130.04974	4.2
141.07314	1.5
142.03189	3.6
144.01120	25.6
145.06087	1.6
159.07027	0.8
159.08380	27.2
162.02184	100.0
170.02660	1.2
173.18639	0.6
176.11044	1.9
187.07823	0.9
195.22743	0.5
205.08882	2.4
207.95512	0.6
233.38177	0.5
244.09984	1.3
245.05844	0.9
262.11060	47.5
279.13702	13.2
279.16571	1.0
315.13651	0.5
333.14767	15.3
391.15659	0.8
408.17944	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
54.31484	0.7
55.01866	2.1
55.05513	4.2
57.03436	9.1
60.82074	0.7
67.05509	5.2
69.03415	1.8
69.07054	1.2
70.06588	5.4
70.17115	0.7
70.72365	2.9
71.04980	0.9
72.08134	2.6
76.02203	0.8
79.05481	7.6
79.68139	0.7
81.03416	52.0
81.07058	6.7
83.04978	3.4
83.08618	9.5
84.04501	1.7
84.08138	4.7
86.09702	4.0
91.05482	8.3
93.07028	4.1
95.04970	11.5
95.08595	2.2
97.02882	1.6
97.10172	0.8
105.07024	5.4
107.04961	4.5
107.08596	1.8
109.06537	1.7
110.07148	1.8
111.08071	3.3
112.85838	0.8
116.01690	1.3
119.08588	6.4
120.08070	4.8
121.06477	0.9
121.10134	2.3
122.07174	0.8
125.00011	1.0
128.06203	0.7
129.07016	4.0
129.10268	2.2
130.05014	0.8
131.08540	3.8
133.06505	1.5
133.10112	2.3
136.06192	2.0
142.07808	1.3
147.08034	2.2
147.11681	5.2
149.09607	2.5
157.10124	5.0
165.12729	1.2
175.11168	5.0
184.07382	6.1
193.12244	11.1
211.13290	2.8
216.65840	0.8
218.15489	0.9
236.16483	2.2
249.14568	0.8
267.15912	100.0
268.16257	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83400	0.7
54.77860	0.6
55.02995	2.1
55.05513	2.1
57.07072	100.0
65.03927	0.6
67.05516	2.1
69.07064	77.2
69.31878	3.6
69.32304	2.5
70.04080	1.7
70.07436	1.4
70.07854	5.2
73.06566	0.5
79.05495	1.3
81.07065	1.0
82.04064	6.0
83.04894	0.7
87.08128	0.7
88.07676	0.9
89.06049	1.7
91.05508	0.9
94.04070	2.5
95.04959	0.9
98.03584	0.8
98.21527	1.1
99.00046	1.9
100.05099	19.0
103.03139	0.7
103.07583	0.8
107.05000	0.6
109.10250	0.6
113.00011	5.6
113.01598	1.5
115.07561	51.7
119.49761	0.6
124.08612	0.7
126.99453	7.7
129.01030	11.7
136.08728	1.3
139.00595	1.1
141.01013	18.2
150.10252	1.0
155.02544	5.5
161.09641	1.1
164.08276	1.0
169.02649	5.3
169.04211	4.6
170.02962	1.6
178.09744	14.7
179.10535	12.5
186.06654	0.8
192.03276	1.1
196.11156	0.7
197.07278	48.9
207.05716	3.1
209.03516	1.1
210.04277	12.4
217.14444	0.8
220.02765	2.3
222.04265	3.0
225.06776	7.0
237.32559	0.6
250.03833	3.3
264.09045	1.5
278.10629	2.4
294.09988	4.1
306.10019	16.1
324.11218	0.6
327.13519	13.9
408.16772	10.2
429.32486	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02979	1.6
55.05501	2.0
56.10586	1.1
57.03429	1.9
57.07070	93.4
58.04215	1.5
58.07402	1.9
67.05494	3.2
69.07060	100.0
70.07840	8.0
71.08616	3.4
71.60450	2.5
73.02930	1.3
78.89646	1.2
78.95957	1.3
79.05490	2.7
81.07036	2.7
82.04052	2.0
82.90870	1.3
83.08607	1.6
85.10175	1.9
87.04449	1.3
87.08058	1.1
89.06022	8.1
91.05463	2.9
94.04057	3.8
95.04942	2.4
95.08582	2.4
97.06577	1.9
99.00018	2.8
100.04485	2.2
100.05083	18.1
103.03141	1.4
103.05460	2.9
105.07021	30.2
106.07384	2.2
110.03514	3.3
111.04437	1.2
113.00005	51.5
113.01561	2.1
114.00371	2.3
115.07553	51.3
121.06494	4.7
126.99457	8.9
128.99136	1.6
129.01035	15.2
131.00713	1.3
133.08589	4.9
136.08676	2.2
138.10303	1.5
141.01007	19.4
143.00737	2.5
147.08017	1.7
148.08647	2.9
150.10291	1.7
155.02551	4.9
157.02299	1.3
164.08073	1.4
165.00935	1.3
165.09117	1.5
169.02631	39.5
169.04150	5.0
170.02971	10.4
174.06664	1.3
178.09732	15.3
179.10521	17.3
180.61644	1.2
197.07259	59.7
199.06946	7.4
207.05687	4.8
209.62932	1.4
210.04263	9.4
217.47752	1.2
220.02754	2.3
222.04268	2.7
225.06779	8.3
226.31816	1.3
250.03795	1.9
264.09122	2.1
278.10559	1.7
280.16608	1.6
294.10013	2.7
306.10040	15.1
316.50241	1.2
327.13504	9.0
334.93219	1.2
362.14392	6.9
364.16013	2.1
387.59497	1.4
408.16760	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	408.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.9
57.07073	34.2
61.39917	0.7
63.43608	0.8
67.05509	1.6
69.07064	100.0
70.07851	6.0
70.92310	2.0
70.92670	0.9
83.38132	0.8
89.73720	0.9
91.05433	1.3
94.04195	0.8
98.99999	5.9
100.33954	0.9
101.68798	0.9
110.03526	4.8
110.04143	0.9
113.01563	2.6
115.07566	19.4
124.08715	7.9
125.89738	1.0
126.99476	10.5
129.01019	16.0
138.10284	4.4
139.00546	0.9
141.01004	21.0
148.08676	2.8
155.02577	8.7
166.09737	3.6
196.10796	1.6
197.07277	64.0
198.07610	1.2
199.07066	0.9
225.06697	4.1
240.86945	0.8
280.16510	6.6
292.71396	0.9
322.09488	1.7
334.09485	2.5
348.14676	5.0
362.16235	1.7
375.38510	0.9
390.15607	1.7
408.16803	20.5
409.17596	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	0.6
55.05507	3.5
57.03403	0.5
57.07072	32.0
61.18744	0.4
65.03927	0.5
67.05489	2.2
69.07062	100.0
69.96123	2.4
70.04069	3.6
70.07401	1.5
70.07842	7.2
79.05479	0.6
81.07061	0.7
85.06522	0.4
87.08104	0.5
89.06042	0.5
91.05485	1.8
93.07063	0.8
95.04955	1.4
95.08614	0.7
96.05611	0.6
97.06524	6.8
99.00002	5.6
103.03142	0.8
105.07024	1.2
107.04930	0.7
113.01541	3.2
115.07557	19.5
119.04988	0.5
119.08572	0.5
124.08676	2.4
126.03008	3.4
126.99456	11.3
127.03120	0.9
129.00041	0.9
129.01016	14.9
138.02972	0.7
138.10266	1.2
139.00571	1.7
140.04549	0.6
141.01006	20.2
143.00711	0.6
147.08141	0.7
155.02563	7.3
161.09605	0.9
166.09738	6.6
193.15926	0.5
197.07266	57.3
198.07590	0.9
199.06969	1.3
224.10260	7.0
225.06799	3.2
225.10912	0.5
262.48978	0.4
276.34930	0.5
280.16525	9.6
285.07175	0.4
313.25412	0.5
352.10559	51.7
353.10941	2.1
358.79858	0.6
362.16272	1.0
373.42496	0.5
390.27493	0.6
408.16895	6.1
408.24945	0.8
421.17490	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.05503	3.1
57.07074	40.2
58.06590	1.4
58.07384	2.5
67.05498	2.9
69.07066	44.0
70.04069	16.1
70.06582	3.2
70.07392	1.4
70.07836	1.8
71.04395	2.0
71.08622	4.0
71.29000	2.0
72.08137	3.5
73.06516	1.3
76.09123	1.0
79.05476	1.9
81.07037	3.1
83.04963	2.1
83.08595	1.5
84.08145	2.6
85.10151	1.7
86.09721	1.0
87.04469	1.4
89.06026	14.2
91.05478	2.8
93.07021	1.6
95.04948	3.3
95.08611	1.7
96.08097	1.3
97.06516	2.6
100.07585	2.1
105.04515	0.9
106.86020	0.9
108.08103	1.9
109.07626	4.3
115.01245	3.1
115.07582	7.0
121.06510	4.9
126.99467	1.7
128.99225	1.1
129.01016	6.3
131.00719	3.5
132.10199	2.9
133.08586	3.2
134.07135	4.5
135.07964	1.6
136.08656	5.0
138.10286	3.3
141.01024	7.7
141.05438	2.4
143.00748	11.2
143.02649	1.4
144.01065	4.9
148.08691	4.2
149.07068	1.3
150.10255	1.2
155.02609	2.8
164.08173	3.8
166.09822	1.8
169.04114	2.5
170.01799	4.5
171.00197	3.8
171.02179	2.0
171.03914	2.2
178.09787	1.8
180.00255	3.1
181.00589	2.0
189.10210	2.9
195.10155	2.3
197.07275	16.3
198.01303	2.0
198.07582	1.2
199.01608	1.8
199.07001	7.8
206.12865	23.0
209.07260	1.4
220.14435	100.0
221.15195	34.1
225.06778	2.3
234.15991	15.4
235.16780	60.5
236.06628	2.1
236.17090	1.9
237.06796	5.3
238.08051	2.2
239.08305	2.4
248.14211	1.1
254.07596	1.6
255.07942	3.0
282.07031	20.8
283.07480	39.8
284.25873	1.3
294.14462	1.3
295.14679	3.8
339.11734	4.1
342.82855	1.3
348.14706	3.7
352.10666	1.8
362.16013	6.0
390.15753	2.7
408.16830	61.0
408.25299	2.4
409.16989	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	408.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56942	2.2
55.05507	5.2
57.07079	78.2
67.05506	6.3
67.39159	2.4
69.07070	100.0
70.07839	4.9
71.58631	2.7
81.07074	7.8
91.05490	3.1
93.07063	4.3
93.50289	2.1
95.08614	3.1
99.00031	2.8
100.05136	4.4
105.07038	9.2
107.08603	2.8
115.07566	20.7
119.08561	2.4
121.63710	2.4
126.99493	10.9
129.01038	12.3
141.01024	23.1
143.63121	2.3
155.02615	12.2
169.04167	9.0
178.09720	2.2
197.07289	69.7
225.06847	4.3
231.95866	2.5
250.04016	2.5
280.47235	2.3
324.11002	3.8
408.16824	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.6
57.07072	67.0
59.65376	0.7
65.03924	0.6
67.05506	1.6
69.07063	100.0
70.07423	1.2
70.07838	6.8
89.06030	1.3
93.03410	0.7
94.04190	0.6
95.04916	0.9
97.06541	0.6
98.20715	1.7
99.00008	5.2
100.05099	4.4
103.03152	0.7
103.34486	0.6
105.07017	2.0
108.05582	0.5
111.04446	1.0
113.01569	2.6
115.07560	22.8
121.50081	0.5
126.96944	0.5
126.99464	11.3
127.00390	0.4
129.01024	14.9
136.08694	1.5
139.00510	0.7
141.01016	21.9
150.52966	0.6
155.02565	7.6
164.08139	3.7
169.02727	0.8
169.04158	10.8
178.09750	1.3
179.10506	2.9
181.62613	0.6
196.10890	0.7
197.07274	65.8
198.07599	1.0
206.12827	2.6
207.05743	4.8
209.03577	0.7
220.02719	1.7
220.14417	0.7
221.15312	2.3
222.04259	2.1
224.10313	1.1
225.06764	4.6
238.15721	0.7
250.03807	1.7
264.09006	2.9
288.08878	0.9
306.10101	3.9
324.11038	5.3
408.16840	42.2
409.16998	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48645	1.4
52.00426	1.4
53.03938	2.0
55.05499	5.1
57.07071	62.6
58.06586	2.6
58.07393	4.0
67.05489	5.6
69.07061	53.4
69.28454	15.0
70.04069	17.1
70.06580	2.1
70.07410	2.0
70.07830	3.6
71.04390	3.4
71.08610	4.8
72.08146	3.7
73.02889	2.0
73.06528	2.3
79.05486	2.6
81.07040	2.9
83.04976	6.9
83.08596	1.5
84.08131	3.3
85.06522	1.5
85.10187	1.5
87.04446	1.6
89.06020	19.0
93.07049	3.6
95.04945	3.3
96.08138	1.7
97.06503	2.9
97.10151	2.0
103.05450	2.0
107.08554	2.6
108.08106	3.4
109.07657	1.7
109.10149	1.9
113.06004	3.3
114.61974	1.4
115.01237	6.1
115.07555	5.6
116.01605	2.3
121.06516	5.9
123.11554	1.3
124.28618	1.5
125.09589	1.9
126.99515	3.0
128.99156	1.7
129.01010	6.1
130.08701	1.6
131.00732	6.7
132.10191	2.4
133.08589	6.6
134.07133	2.8
135.07997	1.6
135.82190	1.6
136.08690	3.9
138.10245	4.1
140.08171	2.2
141.01012	7.7
141.05449	4.8
143.00723	18.7
144.01057	5.2
148.08675	5.4
150.10229	1.8
151.11118	1.4
155.02567	3.1
157.02219	1.7
164.08220	3.6
165.09163	1.5
166.09892	1.6
167.00739	1.9
169.04155	5.2
170.01791	4.6
171.00253	6.8
171.03859	5.5
172.00462	1.7
177.11256	2.6
178.09735	2.0
179.55284	1.6
180.00264	3.3
181.00525	2.6
195.03755	1.9
195.10147	4.0
197.07289	20.9
199.06969	12.4
200.07343	4.4
206.12891	18.2
206.15367	4.1
210.12451	2.3
220.14426	100.0
221.15207	24.0
234.15999	15.1
235.16763	71.8
236.06549	2.7
236.17249	2.5
237.06830	4.5
238.08043	3.2
239.08333	6.3
254.07599	2.7
255.07961	2.7
282.07053	27.7
283.07587	59.7
294.14432	2.7
295.14606	6.3
314.52423	1.6
316.28836	1.6
325.46628	1.6
326.30487	1.5
339.11761	18.0
348.14746	4.2
352.10773	1.5
354.73962	1.7
362.16098	8.7
390.15869	3.3
408.16833	84.3
408.25281	3.1
409.17139	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	408.168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67738	1.1
55.01862	1.3
55.05508	5.0
55.93499	1.8
56.96552	3.4
57.03407	1.1
57.07072	29.4
61.02919	2.2
67.05495	6.7
69.03400	2.2
69.07062	100.0
69.43363	1.0
70.04065	4.5
70.07833	5.5
70.95863	2.0
72.08148	1.5
72.29951	1.0
72.93768	4.4
75.73929	1.0
79.05475	4.9
81.03421	1.4
81.07046	5.0
81.36399	1.0
83.04948	1.1
83.08575	1.2
85.02875	1.5
86.09687	1.5
88.96880	1.2
89.06037	1.6
90.94817	3.5
91.05465	4.7
93.07022	3.6
95.04937	4.0
95.08596	2.6
95.83553	1.1
97.02876	1.3
97.06504	1.3
98.20696	2.1
98.99998	3.0
105.03316	1.3
105.07014	3.1
107.04944	5.0
107.08584	1.8
109.06575	1.3
109.10149	2.1
113.01500	1.6
115.07555	16.9
121.10168	1.4
126.99468	7.7
129.01025	14.0
131.00011	1.3
131.08557	1.5
132.95883	2.0
133.10178	1.3
135.08047	1.2
138.10284	1.9
141.01012	18.6
141.95842	2.4
142.97903	1.2
146.07094	1.7
148.08672	4.0
148.98927	2.0
149.01141	1.6
150.96886	5.2
155.02574	8.3
155.97501	1.1
157.03340	1.2
158.00085	1.7
159.96928	5.9
160.98906	1.3
166.09775	5.9
178.09747	2.2
183.98000	2.2
187.00555	1.5
190.09662	1.4
192.99350	1.1
197.07265	60.0
198.07671	1.5
199.06784	1.6
201.99103	5.6
206.09276	2.3
221.08272	1.1
225.06706	2.4
228.23413	1.3
243.08960	1.7
254.95024	1.1
261.10016	2.5
262.15494	4.8
263.16159	2.6
266.02151	1.1
267.06671	1.6
272.10709	2.5
272.95975	1.3
280.16550	3.4
285.07721	2.5
299.05649	3.8
300.95361	2.5
334.09482	4.9
349.14502	11.8
367.15558	16.1
379.35962	1.2
385.16699	3.0
390.15738	39.2
408.16885	15.2
408.27014	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	408.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
55.05494	8.1
56.96550	10.5
57.03416	4.5
57.07075	32.9
61.02912	5.4
67.05512	15.4
69.03403	4.7
69.07064	100.0
69.70842	18.2
70.04072	6.6
70.07854	5.6
72.93777	3.6
73.81300	2.9
79.05495	8.0
81.03397	5.9
81.07069	12.8
85.02882	3.8
86.09689	3.1
90.94842	3.0
91.03990	3.3
91.05478	8.5
93.07033	11.6
95.08617	8.0
97.02895	3.5
97.06519	5.8
103.03113	3.2
105.07003	4.7
107.04963	5.8
107.08588	5.2
109.06490	2.8
109.10157	5.6
113.01608	3.2
115.07544	12.5
116.01664	2.7
116.98563	3.0
117.06937	3.2
119.08547	6.5
121.82355	3.0
122.10468	2.3
126.99470	7.3
129.01018	10.3
131.08516	3.4
132.95880	3.3
133.10136	5.5
141.00986	13.7
143.08582	2.7
150.96860	7.5
152.81885	3.4
155.02618	5.3
159.96918	5.0
163.03896	6.0
166.09724	8.4
173.11859	2.8
197.07283	53.4
199.07016	2.6
201.99081	5.7
229.07417	3.9
243.09105	4.6
261.10202	3.8
262.15530	3.9
299.05646	5.8
300.95639	4.0
326.78503	2.6
334.09421	3.7
349.14505	7.6
354.09796	2.6
367.15347	12.4
390.15814	32.8
408.16367	14.6
408.27332	9.4
409.17557	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	408.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42914	0.3
53.03944	0.8
55.01858	0.5
56.49046	0.3
57.03421	0.8
60.04539	0.3
61.02926	0.5
69.03423	1.1
70.06586	1.5
70.75745	0.9
72.08132	0.4
73.02903	0.7
76.71353	0.3
79.05483	1.6
81.03415	1.0
81.20354	0.3
83.08610	0.4
84.04501	0.9
84.08144	0.5
85.02904	1.6
86.06068	0.5
87.04477	0.5
95.04948	2.2
96.04481	1.0
97.02876	1.9
98.06052	0.5
102.05549	0.7
107.04944	100.0
108.05272	1.4
114.05492	2.0
115.03910	1.6
125.02344	4.6
129.10242	0.6
132.06572	2.0
133.04990	2.2
145.02925	0.4
160.06032	0.8
161.04417	1.0
162.51141	0.3
177.05563	0.4
178.07092	20.6
180.34395	0.3
196.08145	51.6
197.08411	0.6
233.02670	0.8
237.28709	0.3
244.62515	0.4
252.97801	0.3
302.12317	31.9
303.12518	0.7
367.82974	0.3
408.11285	0.6
408.16547	8.8
409.11566	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.8
53.71444	1.3
55.01865	9.8
55.05503	1.6
56.05037	2.4
56.52343	1.3
57.03429	5.1
60.04511	3.1
61.02917	4.7
67.05489	1.6
67.75269	1.2
68.99799	3.7
69.03074	2.4
69.03431	31.9
69.07063	2.3
69.48243	2.7
69.48641	8.7
70.06596	17.3
71.04990	4.4
72.08163	7.1
73.02913	9.8
75.37431	1.2
75.68173	1.3
81.03419	27.0
81.07080	2.1
83.06122	2.2
84.04495	4.2
84.08152	13.7
85.02906	100.0
85.08450	1.7
86.09699	13.2
86.62257	1.4
87.00302	2.1
87.00832	38.4
91.05459	3.1
93.07032	1.5
97.02895	30.7
98.20805	2.8
99.04453	14.3
105.01866	64.4
105.07036	1.6
107.04958	4.7
108.04472	4.1
108.08131	1.5
109.02886	28.1
110.07154	10.1
115.03976	1.5
115.12395	1.3
117.01871	2.7
120.08114	6.1
125.01549	66.0
126.05518	2.1
127.03919	70.0
128.10695	5.5
129.01888	3.3
129.10229	4.2
129.11090	2.4
133.10103	1.3
135.07991	1.5
136.07550	2.2
145.04967	31.0
145.06134	1.9
147.02858	2.7
159.02887	13.3
160.83852	1.4
162.02121	1.5
184.07320	1.6
189.03894	3.2
203.84293	1.4
213.03995	3.0
230.95891	1.5
231.05008	18.8
248.07594	2.1
249.06049	3.6
267.16043	2.7
288.20105	2.7
324.19699	1.6
326.89191	1.9
362.23993	2.6
408.24268	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	408.0399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93762	1.1
55.05508	1.7
55.93521	11.8
56.96548	1.3
57.07075	19.3
67.05504	1.4
69.07059	10.2
70.04071	3.8
70.06577	1.5
70.95853	9.7
71.59789	1.6
71.93007	3.2
72.85887	1.1
72.93781	10.0
73.94572	1.3
79.05486	1.8
81.07027	2.7
82.83441	1.0
88.96884	2.9
89.94026	1.6
90.90381	2.6
90.94815	8.0
91.05473	2.7
93.07039	1.7
95.05005	1.1
95.14812	1.0
99.94837	1.7
105.07018	2.1
105.93502	1.3
105.97153	1.9
107.95123	1.1
108.95878	2.7
114.94839	3.4
114.97120	1.5
116.96392	1.6
116.98460	1.5
117.07017	2.2
117.95861	1.3
124.95338	1.2
125.44630	0.9
126.99452	1.4
128.96347	2.8
129.97243	1.0
130.97928	2.1
131.00024	3.8
132.95819	48.4
133.02855	3.1
133.95265	1.2
139.00633	1.2
139.97960	1.1
139.98204	0.6
139.99046	25.5
140.00067	2.0
140.98445	2.1
141.95876	40.9
141.96989	6.9
142.97885	2.9
142.99994	2.6
144.99490	2.3
146.00194	1.8
146.97369	2.2
148.97437	1.8
148.98984	2.3
149.96103	7.4
149.97180	1.6
150.96878	100.0
151.98830	1.8
155.97429	6.5
157.97366	1.7
158.00101	17.7
158.97246	1.1
159.96912	98.6
160.98953	3.5
161.01114	1.7
161.98224	1.3
163.00523	8.2
165.95602	3.8
167.00078	1.2
167.97110	6.6
168.96791	2.0
168.97980	4.2
170.00331	1.5
170.97476	1.2
170.99565	1.3
171.01015	1.1
173.01155	1.2
173.98483	10.0
174.98985	3.2
177.00577	1.2
177.97992	5.8
181.01736	4.0
182.98494	4.4
183.96628	2.2
183.98021	38.8
184.94502	1.3
185.01059	1.9
188.94119	1.3
188.98492	1.7
189.00630	5.0
195.02130	1.2
196.98750	1.8
197.00302	1.3
199.02721	3.5
199.06966	1.1
199.99606	2.3
200.98199	1.5
201.99083	92.3
202.99120	1.1
203.02156	3.9
207.06517	1.6
212.93970	15.2
213.99142	3.7
214.99924	2.4
215.98279	6.4
216.00140	1.0
216.93501	3.2
217.01625	1.1
220.00128	1.5
223.97385	1.9
225.00639	11.2
227.95013	0.9
228.80150	1.0
228.97253	1.6
230.95007	8.9
235.95750	1.6
239.01129	3.0
241.98627	3.8
244.11928	1.2
244.96477	1.6
245.04669	4.8
246.98651	2.4
254.94975	16.3
257.57315	1.1
263.93704	1.1
263.96259	4.5
266.02255	16.2
269.06812	2.7
269.10620	1.6
272.96106	32.1
281.04556	15.7
281.97269	2.5
282.94461	8.7
283.95169	2.4
295.97668	3.7
297.05954	1.5
299.05606	72.1
299.98279	1.5
300.05920	1.3
300.95581	32.7
309.96701	22.9
311.01392	3.6
320.02478	2.2
322.07196	9.3
323.97247	3.2
349.14597	4.3
357.01886	3.2
366.03036	9.3
367.14755	1.7
407.23831	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05272	0.4
55.05512	4.3
57.07077	5.3
67.05502	1.6
69.07066	5.5
70.04070	0.8
70.06604	0.4
70.94534	0.8
71.08631	3.2
78.53916	0.3
79.05486	1.0
81.07056	3.9
83.08619	3.3
85.10169	1.5
91.05476	1.1
91.90037	0.5
93.07050	1.3
95.04965	0.5
95.08595	2.8
97.06549	0.5
97.10163	1.6
105.07029	1.8
107.08576	1.5
109.10138	1.4
111.11735	0.6
117.07015	0.8
119.08580	1.0
120.08858	0.4
121.10155	1.3
123.08080	0.9
123.11684	0.6
126.02966	0.4
128.06215	0.4
129.07013	0.9
131.08563	1.3
133.10115	0.8
135.59322	0.3
141.07022	1.1
142.07780	2.3
143.08569	2.3
144.09306	0.3
145.10110	1.3
153.07002	0.9
155.08556	5.7
157.10138	6.1
159.11662	1.7
165.06990	0.7
166.07735	0.5
167.08553	0.9
168.09364	5.2
169.10112	4.3
171.11684	1.2
173.13338	0.5
178.07918	0.6
179.08565	1.6
180.09406	0.5
181.10110	2.9
182.10991	2.1
183.11690	32.8
184.12260	0.4
185.09717	0.4
185.13217	1.9
191.08505	0.8
192.09254	0.8
193.10146	2.1
194.10938	1.6
195.11688	4.4
196.12495	2.1
197.13257	3.7
199.11238	0.5
199.15013	0.5
205.10161	1.4
206.10902	1.0
207.11691	3.6
208.12462	1.3
209.13246	3.1
210.14006	0.7
211.11250	2.0
211.14795	7.1
211.16734	0.5
212.12010	1.0
213.12604	0.4
213.16263	0.7
219.11678	1.7
220.12527	1.3
221.13248	2.3
222.13919	0.5
223.14819	5.7
225.12885	0.4
225.16386	2.6
229.46587	0.3
233.13370	1.7
234.14030	1.3
235.14824	2.3
237.16389	1.4
239.14322	3.2
239.17940	0.6
247.14874	0.9
248.15648	1.3
249.16400	4.8
250.17339	0.4
251.14316	1.6
253.15967	0.5
261.16409	1.3
263.17920	0.7
267.17401	1.6
276.18811	0.9
277.19431	0.5
317.17838	0.5
365.31982	2.6
379.33856	0.6
389.31946	1.7
407.33093	100.0
408.33514	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95922	7.8
53.03934	8.8
55.01871	9.9
55.05515	47.4
57.07074	32.5
67.05510	89.0
69.03426	25.6
69.07062	52.9
69.43442	51.6
71.04964	8.0
71.08627	22.8
79.05504	53.4
81.03411	25.2
81.07059	100.0
83.04984	9.2
83.08614	35.9
85.10188	12.7
85.15954	6.8
89.06031	16.7
91.05501	51.1
93.07053	67.4
94.08069	7.0
95.04961	24.2
95.08606	65.8
97.02894	9.0
97.06550	9.6
97.10174	21.9
98.21496	18.0
98.97569	16.3
98.98461	17.1
105.07053	48.0
107.04974	8.7
107.08591	37.5
109.02869	10.7
109.06565	8.4
109.10162	36.4
111.04427	10.4
116.98624	27.3
117.07029	22.4
119.08584	42.3
121.06498	7.4
121.10120	34.9
123.11676	8.8
127.03967	10.6
129.06989	17.3
131.08565	27.6
133.06577	8.2
133.08592	9.1
133.10121	23.4
134.99657	40.8
135.08037	8.7
135.11685	16.6
137.09586	9.0
137.13170	11.4
143.08589	16.2
145.06421	9.5
145.10133	26.1
147.08006	8.8
147.11613	14.4
149.13223	11.7
151.11201	10.3
153.00722	9.2
155.01048	22.3
155.08562	10.3
157.10162	13.5
159.11737	17.5
161.13254	11.0
163.11220	12.8
173.13205	11.8
175.14793	10.4
185.13336	9.6
187.14763	9.1
205.16006	9.8
249.62100	7.6
261.22049	8.0
274.23520	6.7
275.23679	8.9
303.23151	8.4
305.24854	8.7
317.24542	13.8
329.24664	8.5
333.24268	7.3
347.25934	8.3
353.24979	8.2
371.25912	46.8
389.19931	42.6
389.26889	37.3
407.27759	41.5
407.33215	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2794
Annotation	3-Oxocholic acid
Peak:m/z	Relative Intensity
51.95922	7.8
53.03934	8.8
55.01871	9.9
55.05515	47.4
57.07074	32.5
67.05510	89.0
69.03426	25.6
69.07062	52.9
69.43442	51.6
71.04964	8.0
71.08627	22.8
79.05504	53.4
81.03411	25.2
81.07059	100.0
83.04984	9.2
83.08614	35.9
85.10188	12.7
85.15954	6.8
89.06031	16.7
91.05501	51.1
93.07053	67.4
94.08069	7.0
95.04961	24.2
95.08606	65.8
97.02894	9.0
97.06550	9.6
97.10174	21.9
98.21496	18.0
98.97569	16.3
98.98461	17.1
105.07053	48.0
107.04974	8.7
107.08591	37.5
109.02869	10.7
109.06565	8.4
109.10162	36.4
111.04427	10.4
116.98624	27.3
117.07029	22.4
119.08584	42.3
121.06498	7.4
121.10120	34.9
123.11676	8.8
127.03967	10.6
129.06989	17.3
131.08565	27.6
133.06577	8.2
133.08592	9.1
133.10121	23.4
134.99657	40.8
135.08037	8.7
135.11685	16.6
137.09586	9.0
137.13170	11.4
143.08589	16.2
145.06421	9.5
145.10133	26.1
147.08006	8.8
147.11613	14.4
149.13223	11.7
151.11201	10.3
153.00722	9.2
155.01048	22.3
155.08562	10.3
157.10162	13.5
159.11737	17.5
161.13254	11.0
163.11220	12.8
173.13205	11.8
175.14793	10.4
185.13336	9.6
187.14763	9.1
205.16006	9.8
249.62100	7.6
261.22049	8.0
274.23520	6.7
275.23679	8.9
303.23151	8.4
305.24854	8.7
317.24542	13.8
329.24664	8.5
333.24268	7.3
347.25934	8.3
353.24979	8.2
371.25912	46.8
389.19931	42.6
389.26889	37.3
407.27759	41.5
407.33215	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2791
Annotation	3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate
Peak:m/z	Relative Intensity
53.03951	3.8
55.01851	3.1
55.05512	16.0
57.03429	2.9
57.07067	31.3
60.45161	2.6
65.99551	3.0
67.05502	28.2
69.03416	3.6
69.07063	100.0
70.04079	20.6
70.07824	5.9
71.04981	2.3
79.05492	22.3
81.03421	3.0
81.07053	30.2
83.08594	9.1
85.06538	3.5
85.62085	3.0
91.05477	34.6
93.07049	24.4
95.04957	10.0
95.08595	24.4
96.05618	5.8
97.06502	8.7
97.10143	6.6
98.99996	4.1
103.05476	3.5
105.07026	45.5
107.04934	5.0
107.08569	10.9
109.06505	4.0
109.10152	7.1
115.07533	18.9
117.07008	16.1
119.08591	34.0
121.06461	4.0
121.10133	7.5
123.08026	6.7
123.11701	2.7
126.99437	6.8
129.01033	16.2
129.06976	11.6
131.08566	29.0
133.06549	2.7
133.10143	16.9
135.08014	4.3
135.11644	3.6
136.43643	2.7
138.10249	39.9
139.00459	3.1
141.01016	21.2
143.08549	13.5
145.10103	19.0
147.11688	4.5
155.02617	4.7
155.08522	7.2
157.10081	9.3
159.11674	8.0
161.09602	4.0
166.09718	5.9
169.04153	27.4
169.10204	4.4
171.08055	2.9
171.11618	5.7
173.13214	5.9
181.10042	4.9
184.07291	3.3
185.13260	5.6
187.14606	3.1
195.04910	2.5
197.05463	3.3
197.07277	63.5
197.13155	3.0
199.06950	3.5
199.14908	4.9
200.07425	3.1
204.95364	2.9
209.13283	3.7
211.14774	7.2
225.06888	4.6
235.14590	2.9
247.17009	3.8
259.17017	2.8
275.20029	3.1
278.14722	2.7
280.16541	13.0
291.02048	4.1
292.02539	4.5
321.18021	2.8
328.27072	2.6
335.23639	8.7
343.26413	6.1
352.10489	10.3
353.24646	17.1
354.24820	3.1
368.64600	2.5
371.25906	22.6
389.21658	15.4
389.26810	50.6
402.16882	3.9
408.17178	16.9
420.17960	15.0
421.17361	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65743	0.4
55.05507	0.9
57.03433	4.5
57.07075	7.5
63.64079	0.4
64.41695	0.4
67.05504	1.8
68.32902	0.4
69.07069	1.7
71.08628	4.0
73.19682	0.3
81.07059	3.1
83.08622	1.6
85.10181	2.5
95.04966	0.4
95.08601	4.4
97.10188	0.6
98.21577	0.8
109.10157	1.6
113.00010	94.3
123.11687	0.9
131.01076	0.8
137.13254	0.5
139.01599	0.5
169.02602	100.0
170.02968	0.7
197.07251	0.8
233.36787	0.3
239.23642	1.1
407.18951	0.5
407.25369	0.4
408.18326	0.5
413.19867	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82954	0.5
53.03700	0.5
55.05514	1.1
57.03436	5.5
57.07076	6.4
57.37313	0.5
63.98797	0.5
67.05504	2.0
69.07059	1.5
71.08641	4.5
73.78400	0.5
81.07052	3.5
83.08620	1.8
85.10184	2.2
95.08607	3.9
97.10155	0.8
109.10167	2.4
113.00021	100.0
120.85690	0.5
123.11647	0.7
129.13515	0.5
131.00995	1.2
139.01492	0.6
139.16925	0.5
169.02620	91.7
170.03003	1.0
229.59335	0.5
398.40213	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.5
57.03436	5.8
57.07074	6.9
67.05489	3.8
67.68781	1.3
69.07065	2.9
71.08636	5.3
81.07050	5.1
82.61874	1.2
83.08601	2.6
84.63475	1.1
85.10201	2.1
89.06040	4.2
93.07038	1.2
95.08614	7.2
97.10169	1.9
98.20687	1.4
98.98512	1.9
105.07040	1.4
109.10150	1.9
113.00020	98.1
122.69453	1.0
133.08577	2.8
154.02626	1.3
157.10117	1.3
159.11713	1.6
169.02617	100.0
181.10287	1.2
239.14862	1.6
307.77850	1.2
338.78830	1.2
359.84537	1.4
407.33145	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	407.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.1
55.12381	0.4
57.03173	0.7
57.03431	5.0
57.06819	0.6
57.07073	8.0
61.60080	0.4
67.05505	2.7
69.07069	2.7
70.07822	0.5
70.94042	1.1
71.08631	4.8
81.07049	2.8
83.08598	2.2
85.10181	2.3
86.03559	0.6
95.08619	4.5
97.10168	0.8
98.21330	0.5
100.70069	0.4
109.10140	1.2
113.00010	97.4
123.11708	0.6
127.20817	0.4
131.01057	0.9
137.40372	0.4
139.01541	0.7
148.08643	0.6
154.02626	0.8
154.09692	0.9
158.06563	0.5
169.02605	100.0
220.14426	10.5
221.14772	6.7
228.89067	0.5
234.16019	1.3
235.16779	8.3
236.17102	4.8
239.23808	0.5
349.97116	0.5
407.15652	3.4
407.20599	0.7
408.14893	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.5
55.92683	0.7
56.72395	0.6
57.63971	0.6
67.05501	2.4
69.07072	1.7
69.93987	3.2
70.06581	1.7
72.08158	8.3
79.05495	2.0
81.07058	4.0
83.04948	0.7
83.08606	0.8
84.08157	2.0
85.52314	0.5
86.09666	0.6
91.05479	1.6
93.07036	1.6
95.05006	0.9
95.08607	2.0
97.10148	0.6
103.99383	0.6
105.07037	1.6
107.04963	1.4
107.08590	2.0
108.54286	0.6
109.10138	1.3
117.07034	0.5
119.08586	1.5
121.06518	0.6
121.10162	0.9
131.08621	0.9
133.10130	1.4
145.06491	0.7
145.10112	1.0
147.08076	0.6
149.02322	0.6
157.10188	1.3
158.06610	0.6
159.11749	0.9
173.19275	0.5
185.57413	0.6
231.13672	0.8
243.21568	0.6
274.86136	0.6
284.81784	0.6
300.19800	0.6
309.20590	1.1
310.20798	0.6
319.70294	0.6
371.26733	0.7
389.22946	2.7
389.27545	1.7
390.26456	1.6
407.24078	100.0
407.28818	5.5
408.24216	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	407.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.5
57.07070	0.7
67.05490	1.8
69.07052	2.8
70.06577	2.3
70.57985	1.4
72.08128	1.2
79.05489	2.0
81.07050	2.7
83.08604	2.3
83.55799	0.6
84.08134	2.1
86.09682	0.7
91.05465	2.4
93.07035	2.2
95.04928	1.1
95.08613	3.1
97.06504	0.7
97.10141	1.3
105.07025	2.2
107.04943	2.5
107.08586	1.8
109.10143	1.2
110.09713	0.7
117.07052	0.6
119.08569	1.8
120.08119	0.8
121.10126	1.0
123.08085	0.7
129.07071	0.6
131.08553	1.0
133.10074	0.7
143.08612	1.5
145.06580	0.9
145.10120	1.4
157.10130	2.2
159.08092	1.2
159.11678	1.4
169.10207	0.8
170.31528	0.7
171.11748	0.8
183.11710	0.9
185.13234	0.8
193.10074	0.7
197.13280	1.1
209.13287	1.2
213.16396	1.4
227.17899	0.6
247.07719	0.8
263.17966	0.9
389.23044	2.8
392.78677	0.7
407.24042	100.0
407.33118	5.2
408.24335	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	407.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	1.1
69.07044	0.6
69.74187	4.0
70.06583	1.3
73.25452	0.6
79.05511	0.8
81.07049	1.7
84.08119	1.1
89.92155	0.6
91.05482	1.2
93.07014	0.8
95.08595	1.1
97.55037	0.7
98.21500	0.9
105.07053	1.4
107.04929	2.0
107.08617	1.2
108.61752	0.6
109.10121	0.7
131.08594	1.4
131.46104	0.7
141.65826	0.7
197.09666	0.8
281.19318	0.8
389.23022	4.1
407.12918	2.2
407.24042	100.0
408.24503	3.6
413.96591	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.8
56.96557	2.7
57.03426	0.7
61.02911	0.5
67.05485	1.6
69.03425	0.8
69.07071	2.7
70.35355	1.8
71.05003	0.5
73.02908	0.9
79.05469	1.8
81.03405	1.0
81.07048	2.5
83.08588	0.5
85.02893	0.8
86.09664	0.4
91.05481	2.2
92.41129	0.4
93.07034	1.8
95.04953	1.2
95.08595	1.2
95.38796	0.3
96.76126	0.4
97.02905	0.5
97.06520	0.6
97.73519	0.4
99.04449	0.4
105.07016	1.5
107.04932	1.0
107.08577	1.3
109.02839	0.4
109.06522	0.4
109.10130	1.3
115.07579	0.4
118.49899	0.4
118.69772	0.4
119.08569	0.5
121.10153	0.7
128.98631	0.4
131.08606	0.8
133.10141	0.9
135.11703	0.5
136.21758	0.5
143.08513	0.5
145.10060	0.6
151.11147	0.4
161.09549	0.5
161.13177	0.5
169.10008	0.6
171.11670	0.5
175.86446	0.4
177.12703	0.4
193.12202	0.6
199.06833	0.7
211.06454	0.5
217.07420	0.9
229.07492	0.6
241.07393	0.9
247.08272	0.5
259.08618	1.2
267.09052	0.6
285.10071	1.0
285.13370	0.4
303.11182	0.5
319.18832	0.5
321.16690	4.8
347.15341	1.0
349.16916	1.2
365.16193	0.5
367.17920	1.4
407.24014	100.0
408.24283	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.9
55.01865	0.9
55.05503	2.2
56.96568	2.1
57.03444	0.8
57.07056	1.1
61.02912	1.1
67.05503	4.0
69.03410	0.9
69.07071	3.1
69.25975	5.0
71.05004	0.8
72.08154	0.6
73.02904	0.7
79.05482	2.7
81.03437	2.3
81.07063	2.9
83.04982	0.8
83.08627	0.6
83.41810	0.4
85.02892	1.6
85.06514	0.4
91.05471	3.2
93.07037	2.4
95.04949	1.4
95.08614	2.6
97.02876	1.4
97.06519	0.7
98.97588	0.5
105.07036	2.2
107.04959	4.6
107.08578	1.7
109.02878	1.3
109.10158	1.7
117.07005	0.9
119.08576	1.2
121.02871	0.8
121.06483	0.6
121.10122	0.7
123.08092	0.5
127.03928	0.8
129.07019	1.0
131.08566	1.3
133.10114	1.8
135.04413	0.6
135.11703	0.7
137.09715	0.5
143.08566	0.4
145.06480	0.6
145.10150	1.1
147.11690	0.8
149.09648	0.6
151.03911	1.4
157.10094	0.7
163.11211	0.9
169.10071	0.5
171.11781	0.4
173.11754	0.5
184.07375	0.6
189.12743	0.4
190.48135	0.4
197.07364	0.7
213.10176	0.4
213.57797	0.4
227.05807	0.4
239.09460	0.6
245.11705	1.4
247.08540	0.4
255.09100	0.6
257.10706	0.5
259.08536	0.5
267.09180	0.6
285.10120	1.3
285.13428	0.9
297.12491	0.6
301.09283	0.4
301.12363	0.5
303.11157	0.5
333.19244	0.9
348.15747	0.5
349.16864	0.9
367.17776	1.0
379.16577	0.7
385.19016	0.5
389.14963	0.6
389.22873	0.9
407.24033	100.0
408.16812	0.6
408.19272	0.4
408.24344	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.05491	1.6
56.96554	2.5
57.03413	1.6
61.02909	1.8
67.05483	2.3
69.03418	1.4
69.07059	2.6
69.48949	3.2
69.49357	1.4
71.04989	0.8
73.02904	1.5
79.05479	3.3
81.03409	2.3
81.07060	4.1
83.04981	0.7
83.08618	1.0
85.02905	1.8
91.03936	1.3
91.05480	3.1
93.07028	2.6
95.04962	1.4
95.08585	1.6
97.02902	1.9
97.06532	1.3
98.20759	1.0
98.97575	1.8
101.02317	0.6
105.07021	2.4
105.24345	0.5
107.04922	2.1
107.08591	1.5
109.06496	0.9
109.10125	1.2
114.35576	0.5
116.98611	2.0
117.07037	0.8
119.08559	1.2
121.06480	1.1
121.10106	2.1
124.74010	0.6
125.09586	0.6
129.06969	0.6
131.02710	0.5
131.08580	1.3
133.10114	0.9
134.99625	2.1
135.11642	0.8
141.06993	0.7
145.10130	1.3
147.11646	0.9
153.00708	0.9
163.11179	0.6
175.11157	0.8
185.04814	0.6
191.67348	0.5
193.12228	1.3
199.06563	0.6
203.05908	1.2
212.03699	0.7
217.07532	1.3
231.09009	0.7
241.07423	0.9
243.08861	1.2
259.08475	4.2
261.09995	0.6
267.09006	1.7
269.10522	1.0
272.11157	0.5
273.10007	0.7
285.10037	4.2
286.10516	0.7
287.11523	0.9
303.11093	1.4
321.16684	3.4
331.16040	0.7
333.19427	0.8
349.16818	3.1
367.17709	1.4
407.24011	100.0
408.11774	0.9
408.24030	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	407.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.0
55.05493	2.7
56.96560	5.5
57.03418	2.1
57.07059	1.4
61.02906	2.6
65.03931	0.5
67.05501	6.9
69.03410	1.9
69.07060	5.7
70.06568	0.9
71.04980	0.7
71.59525	0.8
73.02911	1.4
79.05507	4.3
81.03396	2.7
81.07051	6.6
83.04967	0.8
83.08595	2.1
84.08133	0.7
85.02907	3.1
91.03959	1.4
91.05476	6.4
92.24791	0.7
93.07030	4.7
95.04963	3.3
95.08605	3.6
97.02858	2.4
97.06525	1.6
98.97530	0.7
105.00248	0.7
105.00943	0.5
105.07015	5.6
107.04925	3.8
107.08594	3.4
109.02854	0.6
109.06545	0.9
109.10139	2.7
111.08046	0.7
112.05076	0.6
115.07558	0.6
117.06998	1.6
119.08543	3.3
120.08127	0.8
121.06491	0.7
121.10139	2.3
127.03912	1.3
131.08569	2.5
133.06645	0.6
133.10130	5.2
135.07959	0.8
135.11676	1.1
137.05893	0.6
143.08594	0.7
145.06575	0.7
145.10112	1.8
147.03348	0.6
147.08032	1.2
147.11676	1.3
149.09593	0.6
157.10173	0.7
159.11676	1.3
161.09590	1.0
167.10603	0.7
169.10103	0.7
171.11754	0.8
173.04861	0.8
173.11697	1.4
189.04308	0.9
195.11620	0.7
197.07291	0.9
208.43208	0.7
212.10674	1.0
213.08141	0.7
217.07463	1.2
226.12213	1.3
229.07352	1.5
241.07440	2.0
243.08945	1.6
247.08488	0.8
255.08969	6.5
259.08521	2.9
267.08905	1.0
273.10046	4.8
277.09619	0.9
278.10611	0.7
285.10095	2.4
285.13583	3.8
303.11105	1.0
322.11755	1.5
331.15857	1.8
349.16815	5.1
350.17062	0.7
367.17896	5.5
385.18930	2.6
390.19156	0.7
407.24036	100.0
408.16983	2.7
408.24469	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	407.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	1.6
55.93496	0.7
56.96555	2.5
57.03430	1.0
57.07064	2.1
61.02917	2.4
67.05502	2.7
69.03402	0.7
69.07056	2.4
69.49351	4.9
70.06581	2.6
70.17041	0.5
70.95839	0.8
71.08649	0.7
73.02895	0.8
73.44383	0.5
73.66595	0.6
79.05497	2.6
81.03426	1.2
81.07059	3.7
83.08598	1.1
85.02881	1.6
85.06532	0.7
86.09688	0.6
88.07603	0.9
89.07942	0.6
90.94811	0.6
91.03927	1.5
91.05468	4.2
93.07038	4.2
95.04961	1.8
95.08604	2.2
97.02894	1.4
98.97600	0.7
99.04473	0.9
105.07019	3.4
107.04964	2.8
107.08558	2.2
109.10152	1.0
117.07015	0.9
119.08536	2.6
121.06528	1.2
121.10130	1.6
123.08070	0.7
123.11676	0.6
127.03963	0.8
129.07002	0.8
130.01036	0.5
131.08569	1.0
133.10173	1.2
135.07999	0.6
135.11649	0.7
145.10114	1.6
146.11765	0.8
146.97432	0.5
147.08047	0.5
147.11786	0.7
149.01202	0.7
151.03940	0.7
157.10071	1.1
159.11694	1.0
162.01108	0.6
175.11203	0.8
243.09053	0.7
254.97662	0.8
256.26483	0.7
257.26721	1.2
267.09164	1.3
269.10641	0.8
285.10214	1.2
288.98425	0.6
295.15158	1.4
300.29022	1.2
301.09674	1.2
301.29309	3.4
309.16589	1.5
345.31766	1.4
349.17126	1.1
361.07672	1.1
366.08249	0.8
367.17728	0.8
379.08765	1.4
384.04364	0.7
384.09222	10.0
385.09225	1.0
386.65082	0.5
402.10260	3.8
407.24023	100.0
407.35443	13.9
408.24332	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.7
56.96564	1.0
67.05503	1.0
69.55599	5.6
74.82021	0.7
77.00910	0.9
77.65041	0.7
79.05485	1.3
81.02501	0.7
81.07065	1.2
84.08147	1.2
91.05481	1.4
95.08578	0.9
105.07030	1.3
107.04897	0.7
117.07065	1.0
119.08533	1.4
123.78761	0.9
124.37268	0.7
129.07024	1.0
131.18964	0.8
133.10133	1.2
145.06456	1.5
156.84088	0.8
157.10158	0.8
185.09602	0.7
269.13422	0.9
285.10373	0.8
309.16660	1.1
311.74292	0.8
350.36041	0.9
385.18991	0.8
407.24039	100.0
408.24506	4.2
410.80478	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.0
56.96555	1.7
57.03417	0.6
57.07056	0.5
58.84514	0.3
61.02914	0.8
67.05477	1.4
69.03414	0.5
69.07057	1.5
70.06586	1.8
70.36274	1.0
71.06925	0.4
72.08141	0.5
72.93789	0.4
73.02919	0.6
79.05479	1.0
81.03397	1.0
81.06615	0.3
81.07046	2.0
83.04939	0.4
83.08624	0.4
84.08121	0.6
85.02879	1.3
86.09691	0.6
88.07584	0.4
91.03932	0.5
91.05459	1.4
93.07047	1.2
93.38012	0.3
95.04968	0.8
95.08594	1.2
97.02889	0.8
97.06505	0.7
97.10177	0.5
101.02409	0.5
105.07008	1.6
106.39845	0.3
107.04946	1.0
107.08566	0.9
109.06542	0.3
109.10138	0.5
111.08115	0.3
119.08550	1.2
119.65572	0.4
120.66067	0.3
121.06457	0.3
121.10149	0.7
127.03958	0.4
131.08553	0.8
132.10196	0.7
133.10115	0.5
134.99640	0.4
145.10124	0.6
146.11757	0.6
146.99591	0.3
147.11687	0.3
149.13274	0.4
150.89102	0.3
157.10104	0.4
175.11075	0.4
214.95160	0.3
217.07478	0.5
231.08876	0.4
241.07420	0.5
243.08936	0.4
253.12863	0.6
254.97726	0.6
259.08569	1.0
267.09009	0.6
269.10599	1.0
285.10040	1.8
295.15317	0.8
300.28882	1.0
301.29242	4.0
303.10916	0.4
309.16751	1.4
345.31873	1.8
347.15140	0.9
349.16638	1.1
351.20370	0.4
365.16290	1.1
367.17673	0.5
384.09308	2.5
402.10373	1.4
407.23999	100.0
407.35406	13.4
408.24130	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16244	1.0
55.01898	1.0
55.05501	3.9
56.05043	1.8
56.96556	1.7
57.03415	1.6
58.02956	1.9
60.04519	3.6
67.05492	2.1
69.03434	3.7
69.07066	9.7
70.06591	13.2
71.04975	1.4
71.06916	1.3
71.27883	2.6
72.04514	3.8
72.08162	6.4
79.05485	1.8
81.03420	1.7
81.07041	2.1
82.06599	1.0
84.04510	3.5
84.08140	13.2
85.02915	7.2
85.06551	1.3
86.06051	1.3
86.09708	58.8
88.05904	1.0
90.54172	1.0
91.05456	4.0
93.07042	2.5
94.06535	1.1
95.04981	1.5
95.06100	1.1
95.08589	1.3
96.04501	3.3
97.02876	2.9
97.06519	1.2
98.09675	3.4
98.97587	1.7
100.11271	8.6
101.10790	1.8
103.05453	1.2
105.07043	1.6
107.04971	6.6
108.08102	2.4
109.02883	1.7
109.10115	1.6
110.07162	4.3
110.09718	1.6
111.33689	1.2
112.11275	1.4
115.12344	1.3
120.08094	5.7
126.05553	1.7
127.03868	1.7
128.10718	100.0
129.10275	3.8
131.35475	1.1
132.10199	2.1
133.06497	2.6
134.71466	1.2
136.07568	2.1
137.82965	1.2
146.06027	1.1
164.10698	4.4
173.16403	1.1
174.11250	4.3
179.08105	1.1
184.18271	1.2
189.04314	1.5
210.11255	1.4
212.12785	4.0
227.05859	3.6
230.13947	5.9
241.19110	5.7
245.07013	4.6
245.18607	12.1
263.08029	5.1
267.15863	1.5
269.18616	1.9
287.07996	1.9
287.19650	38.3
323.19742	10.4
353.20773	1.3
371.21552	1.7
407.33624	2.2
408.25098	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09031	11.5
53.86559	10.4
55.05491	16.7
56.07927	11.8
56.96558	21.7
57.07071	21.2
67.05497	22.3
67.85812	10.9
69.07061	53.8
71.00039	13.1
71.60042	17.5
72.08147	23.2
77.44915	10.2
80.10800	11.3
84.08131	20.2
93.07033	13.3
95.04935	15.6
95.08639	13.1
98.09695	14.6
107.21305	11.7
108.28627	14.5
134.99010	14.0
197.07333	33.7
201.44821	11.7
303.32898	13.7
315.23096	16.1
333.17325	15.9
351.18350	29.5
389.22995	44.7
398.24030	13.7
401.27814	12.7
407.23865	100.0
407.32816	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	407.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91695	4.9
55.05503	9.8
56.96568	52.4
61.14907	4.6
64.19567	4.4
65.94055	5.9
67.05505	18.9
67.58149	5.3
69.07072	11.4
71.08613	5.6
79.05494	12.4
81.07048	19.8
84.08143	11.5
91.05470	15.1
93.07051	8.1
95.08624	19.8
98.20715	16.1
105.07040	8.6
107.08581	10.6
108.02503	4.9
109.10139	13.6
119.08600	11.1
121.10159	8.1
128.98598	21.3
130.07660	4.9
131.08572	7.3
133.10126	14.1
133.98792	5.1
145.10191	6.8
146.99655	29.4
148.07565	18.3
155.03720	5.3
157.10164	5.6
165.00743	12.7
172.95273	10.7
173.13301	6.1
176.10698	11.2
181.10091	6.5
184.02164	5.6
185.13289	6.8
190.96271	6.6
199.14787	5.6
211.14737	5.8
226.09486	6.0
230.78601	8.0
281.16473	19.9
297.19727	24.8
299.58691	5.5
315.16306	42.3
331.15768	6.4
333.17419	100.0
351.18497	53.6
356.19067	17.0
407.24246	79.2
407.33273	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	407.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01872	0.7
55.05510	2.3
56.05031	2.7
56.96566	0.6
57.07071	0.5
59.63938	0.4
60.04166	0.4
67.05497	2.6
68.05025	2.4
68.75607	0.5
69.03418	1.0
69.07059	1.7
70.06567	1.0
70.69615	0.5
70.69941	1.2
72.08153	0.5
79.05481	3.2
80.04994	1.8
81.03402	1.1
81.07042	2.7
82.06572	1.7
83.04972	0.8
83.08613	1.6
84.08152	0.9
85.02885	0.6
87.04436	0.5
87.20254	0.4
91.05471	1.6
92.10917	0.4
93.07027	2.7
94.06573	1.5
94.12120	0.5
95.04967	2.5
95.07339	0.7
95.08587	2.6
96.04465	0.5
97.02867	0.5
97.06511	0.7
97.08904	0.6
97.75151	0.4
98.09674	3.3
98.26046	0.4
105.07037	1.2
107.04945	57.5
107.08565	1.2
108.05281	0.8
108.08127	0.6
109.06493	0.6
109.10151	0.5
110.09669	6.5
112.11221	1.1
118.06503	0.6
119.08575	1.1
120.08106	0.6
121.02914	0.7
121.10106	0.8
122.09658	6.2
123.11678	0.5
124.11229	2.4
124.12086	0.5
129.06952	0.8
130.06522	11.3
131.08528	1.3
132.04437	4.2
132.08081	1.8
133.10062	0.8
143.08531	0.7
144.08093	0.4
145.06474	0.6
146.06021	3.2
156.10190	6.9
157.07613	1.8
157.10216	0.6
158.06000	21.5
158.97617	1.5
159.11722	0.7
160.07558	5.0
163.04112	0.4
163.07359	0.5
168.10185	3.7
172.07550	1.1
173.07060	1.0
173.13251	0.6
175.08638	10.0
175.14760	0.5
176.07100	0.8
177.38173	0.4
184.07446	0.6
185.07089	0.6
186.05466	1.0
196.07544	0.8
204.06483	1.1
212.10612	0.9
226.12294	1.0
228.13887	1.1
238.12241	0.7
255.14899	11.6
257.16495	0.9
285.18573	0.5
301.15442	100.0
301.95874	0.6
302.15778	3.1
407.19992	2.6
407.24991	0.8
407.29727	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	4.1
56.05032	8.2
56.96563	4.8
58.99578	2.2
60.04524	7.6
60.58316	2.2
68.05013	3.5
69.07066	3.3
70.06593	100.0
71.06933	5.1
71.58220	4.6
72.08160	28.3
74.06075	4.3
81.07069	2.7
83.06109	4.9
84.04515	18.5
84.08145	47.7
85.02921	2.9
85.08473	2.6
86.09706	28.1
87.05576	2.9
88.03992	3.0
91.05482	2.9
95.06120	3.2
98.06019	3.9
98.09682	2.8
98.97589	12.9
99.05626	2.3
101.07117	4.0
102.05546	4.4
107.04968	4.4
110.07182	11.7
112.08743	3.5
115.08700	3.9
116.01732	2.9
116.07074	3.2
116.98636	9.6
120.08094	11.6
127.08711	3.6
128.98616	5.7
129.06563	2.3
129.10229	24.1
130.05022	4.1
130.08638	2.5
134.99655	5.6
136.07620	12.7
141.10263	2.6
146.99669	5.8
147.07507	2.6
158.99629	5.3
165.10214	2.6
170.99693	4.8
177.00710	5.8
181.09758	2.3
184.07413	3.0
188.05687	2.4
189.00687	2.7
201.00658	2.9
205.16489	2.5
237.02893	11.4
259.11060	3.4
260.11414	7.9
283.17639	2.6
293.09024	25.5
311.10043	4.7
316.10657	4.2
407.12750	57.4
407.23444	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	407.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	2.8
56.05011	1.5
57.03407	1.5
62.46497	1.0
62.70634	0.9
67.05487	2.9
69.07048	2.2
70.02943	2.1
70.03513	4.9
70.06595	7.6
72.04489	1.4
72.08125	3.9
73.02886	1.7
79.05465	3.7
81.03425	2.0
81.07037	4.4
82.06557	1.5
83.08605	1.6
84.04492	2.1
84.08141	8.2
85.02915	2.0
86.09696	4.9
87.05593	3.2
88.02202	1.6
91.05489	9.9
93.07021	1.4
95.08587	2.7
98.98434	1.4
100.11222	4.1
105.07024	2.3
107.04929	3.5
109.06465	1.2
110.07178	2.3
113.05997	1.3
119.01891	2.2
119.04227	1.2
119.04953	13.6
119.08588	1.2
120.08071	3.5
124.07618	1.0
131.01860	1.0
131.08463	1.4
132.04691	1.7
133.06032	2.3
137.02921	1.4
142.08607	2.9
145.10101	2.0
147.04419	50.3
147.57605	1.0
154.94112	1.1
155.00916	1.8
155.08522	1.1
159.07787	1.2
172.95193	1.9
173.02916	1.0
182.15485	1.3
184.07335	1.2
190.96227	2.3
195.08598	1.4
210.14937	1.3
219.08690	1.1
221.05026	1.4
228.97813	1.7
236.16467	1.4
261.12656	18.7
271.04175	1.6
275.19916	2.9
321.12582	6.6
349.88379	0.9
363.14151	32.7
389.10364	1.9
407.12912	100.0
408.13187	4.1
411.36792	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.01858	2.1
55.05481	0.7
57.03415	0.7
65.03915	1.8
65.21127	0.6
68.99781	2.5
70.06571	0.6
70.75391	1.8
76.42494	0.7
79.01852	17.2
79.05477	0.8
81.03406	3.1
81.28607	0.6
84.08131	0.9
86.09713	1.3
89.06055	0.7
91.05464	1.9
92.59951	0.8
95.01311	0.9
95.04948	0.8
99.04453	0.6
103.05443	0.9
105.03307	0.7
105.07025	0.8
107.01273	1.8
107.04948	4.8
109.02870	4.1
115.05437	1.8
116.89503	0.6
117.06991	1.8
118.24182	0.6
119.04941	1.9
121.02866	4.4
123.04420	1.1
127.03881	1.5
129.07048	0.7
131.04909	2.5
137.02342	21.0
137.03427	2.7
145.06445	2.4
147.04379	7.2
149.02333	1.3
155.03398	1.4
155.04863	1.6
159.04393	3.3
161.02379	1.5
163.03905	2.9
165.01822	8.9
171.04320	0.9
173.05978	2.8
181.01308	3.1
183.02879	7.2
183.04434	1.8
185.05965	1.0
187.03835	3.8
189.01762	0.9
191.03296	1.0
197.06015	1.8
201.05482	5.4
203.03424	1.9
211.03888	2.3
213.05539	3.4
215.03397	7.5
229.04938	14.5
233.04434	19.3
233.06671	1.3
234.04787	0.8
239.03394	1.9
241.04997	3.2
242.05588	1.0
243.02971	1.4
257.04459	32.3
258.04800	1.4
261.03937	12.6
261.76688	0.7
263.07004	1.1
267.02954	1.0
285.03918	69.1
286.04248	4.0
289.03406	3.8
302.04321	0.9
313.03400	83.4
314.03845	5.1
321.07599	1.6
333.07996	1.4
351.08600	2.5
365.06665	3.7
379.08112	25.7
380.08438	1.6
389.06558	1.0
407.07596	100.0
408.07935	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	407.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.0
53.00301	1.3
55.01858	2.3
55.05490	0.9
57.03411	1.0
60.98061	0.6
65.03942	1.5
67.05508	0.8
68.99786	1.8
70.06577	1.4
70.84533	0.7
71.04976	1.8
72.08157	0.9
79.01849	17.0
79.05481	1.8
81.03413	2.6
81.07019	0.9
83.08607	0.8
85.02874	0.7
86.09688	1.2
91.05464	2.1
92.99763	1.0
95.01308	1.0
95.04964	0.7
97.02878	0.7
103.05482	1.3
105.07037	1.2
107.01325	1.2
107.04935	5.4
109.02873	4.1
112.11195	0.7
115.05420	1.0
117.06995	1.5
119.04950	1.4
120.08118	1.2
121.02869	4.6
122.68409	0.6
123.04456	1.1
127.03915	1.3
131.04904	2.9
132.01157	0.7
137.02339	19.6
137.03397	1.7
137.05969	0.7
138.02652	1.0
141.01816	1.0
141.07010	0.7
143.04939	0.8
145.06490	2.1
147.04417	6.9
149.02283	1.2
155.04918	2.3
155.06073	0.7
157.06454	0.8
159.04434	2.5
161.02348	1.1
161.05928	1.2
163.03926	2.8
165.01825	8.0
169.06482	0.8
171.04428	1.6
171.44691	0.7
173.05917	3.2
175.03897	1.2
181.01306	2.8
183.02879	6.8
183.04340	1.0
185.06065	1.0
187.03882	3.4
191.03371	1.8
197.05942	1.6
201.05496	4.5
203.03401	1.9
205.04895	0.7
211.03847	1.7
213.05481	3.7
215.03387	5.5
225.05344	0.8
229.04912	11.6
231.08203	0.8
233.04439	21.0
239.03358	1.4
241.04993	2.6
242.05774	1.0
243.02946	1.5
257.04437	32.7
258.04715	1.1
261.03900	11.3
262.04330	0.6
263.07001	1.0
267.02847	0.8
285.03918	68.6
286.04303	3.7
289.03510	4.4
289.06311	0.8
313.03397	80.8
314.03796	4.6
321.07642	1.4
333.07584	1.0
351.08710	1.8
365.06555	3.7
379.08093	26.9
380.08511	1.8
389.06549	1.0
391.07098	0.7
407.07593	100.0
408.08060	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	406.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.5
55.05504	5.5
56.05037	8.4
57.03432	10.0
58.99586	11.5
67.05501	11.2
68.05020	3.1
69.03439	6.1
69.07052	6.8
69.53690	10.1
70.06586	19.9
71.04987	4.2
72.08151	3.2
74.00650	2.2
76.02222	19.3
76.04012	2.0
79.05490	13.3
80.05017	4.0
80.97585	1.2
81.03416	17.6
81.07051	30.3
82.06571	2.2
83.04965	6.6
83.06110	2.1
83.08624	6.1
84.04501	29.7
84.08159	5.7
85.01115	2.3
85.02895	4.6
85.06540	7.0
86.00667	2.2
86.06061	33.6
86.09723	2.7
86.99038	7.5
87.02691	6.5
87.04465	21.2
88.02222	1.8
89.00623	1.4
91.05491	8.1
93.07040	11.4
94.06567	3.4
94.08522	1.3
95.04978	6.2
95.08599	8.5
96.08128	3.7
97.02898	1.8
97.06539	7.5
98.06056	27.1
98.06664	2.3
98.09685	9.8
99.05592	1.4
99.08086	5.4
102.05539	7.2
104.07107	23.5
105.07023	7.3
107.04943	10.2
107.08598	5.9
109.06507	1.8
110.09672	2.8
111.08076	3.7
112.03963	4.3
112.07591	8.8
113.04242	4.8
116.01678	21.2
119.04864	1.7
119.08598	4.1
121.06470	2.7
121.10125	6.1
122.09682	3.4
123.08067	2.6
124.07568	4.0
126.05525	4.0
129.07129	2.4
129.10146	1.6
130.05022	8.5
130.06883	3.8
130.08646	1.5
131.08560	9.4
133.10139	2.7
136.07568	1.8
138.12817	2.6
140.07050	2.4
142.03246	2.7
142.08701	2.7
144.01157	7.2
145.10089	2.0
147.04402	2.8
147.08080	1.4
147.11650	3.8
148.07597	1.6
149.09622	23.3
156.08424	14.7
156.10187	8.3
157.06799	6.8
157.10239	2.4
158.08156	5.3
162.02199	19.9
163.11212	1.8
165.12796	2.1
166.08665	2.5
166.12271	1.9
167.10674	3.7
169.09877	1.4
171.23637	1.4
174.09491	9.5
175.11198	3.6
177.12766	1.9
178.07114	4.3
179.04813	9.7
182.15341	1.7
184.13322	2.2
191.10680	3.8
193.12238	19.1
193.13876	2.1
196.08186	6.8
206.15462	1.8
209.11639	6.1
210.11311	3.7
210.14888	8.5
211.13307	6.4
216.06946	5.7
224.16403	2.0
227.12773	9.3
233.05849	2.3
250.17976	2.3
252.15944	8.8
259.11105	82.4
260.09140	1.7
260.11572	2.0
260.16492	3.5
267.15891	8.8
268.18762	1.5
277.12067	1.4
278.17535	10.9
285.17053	5.8
296.18573	5.2
300.19324	2.6
302.19656	1.8
313.12164	4.2
314.19870	2.1
331.13263	4.5
344.20660	10.0
352.21304	2.0
362.21735	11.8
370.22192	18.5
388.23276	100.0
389.23907	2.6
406.16086	2.6
406.28140	3.1
407.18823	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
55.01862	2.1
55.05515	3.6
56.05032	3.7
57.03423	3.1
58.99574	1.1
64.82001	0.9
67.05502	9.7
68.05026	1.4
69.03430	6.0
69.07045	3.2
70.04075	1.2
70.06586	17.9
71.04974	3.0
71.59959	1.3
71.60351	1.0
72.08141	1.7
75.46619	0.7
76.02203	1.4
77.54683	0.7
79.05491	9.0
80.04990	3.2
81.03413	21.6
81.07053	12.6
82.06551	2.3
83.04981	5.9
83.08604	5.4
84.04498	7.9
84.08147	4.9
85.02910	4.3
85.06499	1.3
86.06062	26.5
86.09684	2.5
86.99050	0.8
87.04463	20.7
91.05472	10.6
93.07040	10.4
94.06538	2.0
95.04949	8.0
95.08593	6.4
96.04478	1.0
96.08127	3.2
97.02864	1.4
97.06538	5.5
98.06048	19.5
99.08099	1.2
102.05533	3.3
104.07101	17.2
105.07037	6.8
107.04942	9.0
107.08559	3.4
108.08113	2.1
109.06576	1.4
109.10121	1.0
110.05924	1.0
110.07113	1.0
110.09689	1.7
111.08075	3.1
112.07589	8.5
114.05464	1.0
116.01693	1.4
117.06993	0.8
119.08575	3.5
120.08083	2.4
121.02845	1.9
121.06543	0.8
121.10139	5.9
122.02702	3.4
122.06023	1.4
123.11531	0.8
124.07565	4.9
126.05492	2.2
126.09142	1.1
129.06963	3.1
129.10223	1.6
130.05002	0.8
130.08678	1.0
131.08546	3.3
133.10100	2.6
134.06004	0.9
135.08058	1.0
135.11656	1.4
136.07570	6.2
138.05528	0.8
138.09084	1.5
138.12743	1.7
140.07054	1.9
141.10139	1.1
142.08611	2.7
147.11668	3.8
148.07515	2.1
149.09619	18.3
150.09154	1.1
151.11176	1.0
154.08603	1.1
156.08409	1.1
157.10106	2.8
158.08156	3.9
162.02109	0.9
162.05490	3.1
165.12791	1.2
166.08609	8.9
166.12215	2.4
167.06979	1.1
173.13261	2.5
174.99657	2.6
175.11197	2.7
177.12801	1.0
178.07127	0.9
182.15437	1.0
184.13336	2.1
191.02443	1.1
191.14317	1.0
193.12227	20.2
194.08160	3.4
195.13776	2.0
210.14850	6.4
211.13216	3.3
213.15105	0.8
224.16411	0.9
225.99280	1.5
227.09073	1.9
229.15520	1.1
234.14914	1.1
236.28200	0.7
244.00444	4.0
244.03003	3.3
250.18027	1.3
252.15979	4.8
252.18404	0.8
252.19559	0.9
259.11078	6.0
260.16656	1.7
267.15930	8.6
268.18967	0.9
269.12711	0.9
278.17502	7.7
285.16956	7.6
296.18524	2.0
300.19046	1.6
301.11673	2.7
302.19403	1.0
314.08438	1.1
327.07709	0.8
332.09644	1.3
342.22693	1.1
344.20642	7.5
346.29889	0.8
352.21051	1.1
357.10837	2.5
362.21695	7.1
370.22250	8.3
388.23273	100.0
389.13242	1.3
389.23477	2.7
406.05746	1.1
406.17392	4.9
406.23465	0.9
406.28366	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	1.1
55.01866	1.7
55.05500	2.6
56.05008	0.9
56.85085	0.8
56.96560	2.3
57.03431	4.0
57.07053	1.1
67.05486	3.7
69.03424	6.6
69.07062	4.7
70.06592	7.8
71.04977	2.6
71.54739	1.7
71.59917	1.4
72.08146	2.2
73.02906	4.0
73.06509	0.9
75.04475	1.1
79.05487	3.0
81.03416	2.5
81.07061	4.8
83.04950	4.6
83.06085	1.0
83.08621	2.3
84.04508	1.2
84.08127	1.8
85.02906	5.9
86.06071	1.2
86.09693	2.7
87.04445	2.1
89.06030	12.0
91.05468	3.4
93.07058	4.7
93.56024	2.0
95.04974	1.0
95.06095	2.1
95.08609	6.0
96.04506	0.9
97.02877	2.8
97.06541	2.5
97.10165	1.5
98.06038	2.6
98.97582	1.6
105.07033	2.8
107.04957	10.8
107.08585	14.9
109.02865	1.2
109.06522	2.6
109.09467	1.3
109.10157	14.0
110.07189	1.7
110.09669	1.0
111.08058	2.0
114.09185	2.0
116.98552	1.0
118.06490	0.9
119.08573	1.2
120.08080	1.0
121.06499	3.0
121.10130	12.9
123.08071	4.0
123.11684	2.6
125.09626	4.0
127.03929	1.7
129.09172	0.9
131.08563	3.0
133.08600	3.3
133.10095	5.1
135.08095	2.9
135.11711	3.4
137.09605	8.3
137.58614	1.2
139.11263	1.0
142.08632	3.2
145.04965	1.3
145.10051	1.7
146.59230	1.2
147.11694	1.8
149.09543	1.4
149.13271	8.7
151.11179	18.9
153.09106	1.7
153.12682	1.5
162.10657	0.9
163.03947	1.6
163.14796	11.5
169.12263	4.4
173.13252	9.4
186.11252	1.5
191.14294	38.0
204.06534	1.1
204.12321	1.7
209.15353	21.2
209.34360	0.9
213.08025	1.0
227.16408	100.0
228.16783	2.0
242.47258	0.9
244.13400	1.3
254.21088	1.0
259.11136	1.5
269.10663	4.9
271.03928	1.1
271.12039	1.4
285.12360	1.3
287.05676	1.5
287.11758	1.0
292.17508	2.1
297.10150	1.8
300.10480	1.3
315.11115	2.6
328.10217	1.6
336.20261	1.7
346.11038	2.9
355.10620	1.1
361.02368	2.6
373.83121	1.1
374.10620	4.5
379.03091	2.3
380.22733	1.3
386.27634	1.0
406.11115	2.1
406.27979	1.6
407.15854	5.6
424.25311	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03736	0.8
53.03941	8.5
55.01865	8.4
55.05498	2.7
57.03436	6.7
60.46149	0.8
61.02936	7.6
67.05502	6.4
68.99768	2.8
69.03426	35.4
69.07037	1.8
70.06582	1.8
71.04995	5.4
71.59737	1.4
72.08138	1.8
73.02909	6.9
79.05476	4.9
81.03416	29.4
81.07063	9.6
83.04980	1.1
85.02898	100.0
87.00290	1.8
87.00823	35.3
87.04444	3.3
91.03927	2.3
91.05456	3.7
93.07024	2.9
95.04966	2.6
95.06097	1.2
95.08617	1.6
97.02271	1.8
97.02886	28.8
99.04443	14.8
100.37934	1.2
101.02332	1.3
103.05437	1.1
105.01861	49.2
105.07030	3.6
105.52783	0.9
107.04958	10.8
107.08599	1.7
108.04485	2.2
108.05268	0.9
109.02869	28.9
109.10154	2.2
111.04430	1.1
113.09667	1.0
117.01834	3.0
119.08548	2.0
120.08094	1.9
121.06482	2.0
121.10136	1.2
126.05518	2.1
127.03908	60.1
129.01799	3.4
129.07004	1.3
131.08548	1.4
133.10103	2.0
135.08142	1.0
145.04956	27.4
145.06126	1.3
145.10075	1.9
147.02850	2.4
147.11604	1.3
151.11206	1.5
153.12801	1.4
153.51564	1.0
157.10512	1.0
158.97569	1.8
159.02876	17.7
159.08075	1.1
164.01859	0.9
171.03053	1.2
177.12747	0.9
181.11981	1.2
189.03943	3.9
213.03918	2.1
229.88799	0.9
230.06868	1.3
231.04991	18.5
231.13861	1.4
248.07588	2.1
249.06056	3.2
249.10181	1.3
249.14865	2.1
251.08507	1.2
259.11353	1.2
262.09747	3.2
299.96243	1.2
310.60617	1.2
335.15002	2.7
356.17932	1.1
373.84775	1.0
374.19815	1.4
406.21234	9.7
406.25461	7.1
406.30450	1.7
407.07138	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	406.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.4
55.01871	4.0
55.05507	10.7
56.05044	10.3
57.03438	6.3
57.05295	1.6
58.06601	2.1
58.99592	9.8
60.04506	3.5
60.08174	2.0
62.05415	1.9
67.05503	13.8
69.03430	6.1
69.07070	5.7
69.97491	3.0
69.97765	9.2
70.06595	37.9
71.05000	2.1
71.06924	2.2
72.08154	15.7
74.06079	3.4
76.02229	13.4
79.05490	17.7
80.05021	4.9
80.96114	2.0
81.03417	100.0
81.07059	20.5
82.06545	1.8
83.04978	4.7
83.08620	27.6
84.04508	15.7
84.08150	26.7
85.02924	4.3
85.04028	2.1
86.06065	18.5
86.09708	24.3
86.99062	3.9
87.04473	9.0
91.05489	20.6
93.07036	11.5
94.06562	2.6
95.04961	27.7
95.08596	11.0
96.04499	1.8
96.08146	2.0
97.02888	2.5
98.06061	9.5
98.09675	2.6
101.07149	2.7
102.05541	3.8
104.07109	12.0
104.10717	2.1
105.00080	3.7
105.07030	14.4
106.06520	2.0
107.04964	14.7
107.08614	5.7
109.06535	3.2
109.10126	2.7
110.07207	8.7
111.08080	11.4
112.07632	3.5
116.01676	3.2
117.07062	2.0
119.08562	12.1
120.08115	8.0
121.10152	6.5
122.02727	34.2
124.07627	1.9
125.09617	1.8
129.06992	10.2
129.10194	9.7
130.05048	4.2
131.08583	8.4
133.06480	5.4
133.10141	4.1
138.15775	1.8
147.11671	10.1
149.09604	12.6
156.08461	5.3
156.10229	2.3
157.10147	11.0
162.02203	4.1
165.12822	2.2
173.12970	3.4
174.09454	4.2
175.11160	12.8
184.07375	5.4
193.12248	99.6
206.06848	1.7
208.96248	2.0
210.14917	4.8
211.13229	9.4
250.12634	2.2
252.15849	2.2
259.11124	17.9
267.15912	44.3
268.13477	2.3
278.17484	4.2
285.16965	17.3
296.18884	1.9
331.12952	2.4
344.20734	6.5
362.21420	2.3
370.16992	2.2
370.22614	3.5
388.18002	8.5
388.23209	57.9
406.17319	3.5
406.27975	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	406.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.7
55.01883	3.6
55.05512	13.6
56.05030	11.9
57.02984	2.0
57.03446	11.4
58.99588	20.6
60.04524	2.4
67.05507	17.6
68.05016	4.6
69.03427	6.3
69.07066	6.2
69.22369	1.9
69.31399	1.9
69.43208	17.7
70.06592	28.2
71.04984	2.0
72.08154	8.5
73.01137	2.4
74.00652	4.0
75.29540	2.2
76.02229	38.1
76.04005	2.1
79.05485	19.6
80.05029	5.5
81.03417	82.0
81.07056	33.3
82.03783	2.4
82.06581	2.8
83.04979	4.8
83.06118	3.4
83.08617	24.2
83.54633	2.2
84.04507	45.4
84.08160	14.5
85.01128	3.1
85.02889	2.9
85.08530	2.4
86.00671	10.1
86.06066	20.6
86.09702	11.5
86.99055	8.9
87.02699	8.1
87.04485	11.3
88.02196	2.3
91.05489	18.2
93.07050	7.2
94.06584	2.6
95.04972	25.1
95.08622	11.6
96.08139	2.6
97.01108	3.0
97.06526	7.1
97.10168	3.2
98.06063	15.0
98.09686	12.5
98.21446	3.7
99.05569	3.8
99.08084	6.3
102.05555	7.6
104.07113	9.8
104.07727	2.2
105.00107	2.7
105.07031	14.8
107.04968	11.2
107.08636	4.5
109.06542	2.9
110.07172	7.0
110.09670	3.7
111.08097	9.4
112.03987	5.2
112.07601	4.6
113.04246	8.8
114.03757	2.1
116.01675	31.5
119.08594	9.8
120.08112	4.8
121.10157	7.4
122.02722	27.5
122.09628	2.9
123.08112	3.1
129.06949	8.4
129.10249	6.4
130.05029	14.1
130.06815	4.6
130.08627	4.4
131.08571	8.7
131.46393	2.2
133.06471	2.6
133.10123	4.1
136.07631	2.7
139.05807	2.5
142.03221	3.2
142.08736	2.8
144.01184	12.3
147.08075	4.0
147.11732	8.5
149.09639	15.8
154.08656	2.8
156.08455	16.0
156.10219	9.6
157.06812	12.6
157.10081	11.8
158.08131	5.3
162.02225	28.2
165.12764	2.8
174.09454	11.8
175.11131	12.1
179.04874	12.4
182.15349	2.9
184.07404	3.9
193.12239	79.5
210.14948	4.1
211.13341	9.6
214.86694	2.3
216.06937	7.9
226.60130	2.3
233.05922	3.8
234.14844	2.4
252.16005	4.3
259.11133	100.0
259.13889	5.0
260.11539	2.3
267.15939	43.6
268.13849	3.6
271.46558	2.3
278.17572	4.3
285.12582	3.2
285.16898	13.4
313.12207	5.2
331.13223	8.8
344.20737	6.4
362.21680	6.2
370.22250	10.7
388.18469	3.9
388.23260	50.1
406.16779	3.2
406.27914	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	406.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.3
55.05502	6.4
55.93532	6.4
56.94306	6.2
56.96552	9.3
57.07069	17.6
58.16925	3.4
67.05504	15.3
68.96326	5.2
69.03418	4.4
69.07071	20.8
70.31158	3.7
70.95859	21.4
71.04947	4.8
71.59641	3.6
71.60010	5.2
71.92994	6.2
72.93787	45.2
73.02929	4.4
75.71779	3.4
79.05492	14.1
81.03413	12.4
81.07063	14.2
85.02916	4.3
88.95327	4.3
88.96896	8.8
90.94830	29.2
91.03964	3.6
91.05486	13.7
92.88398	3.6
93.07056	8.8
95.04937	4.2
95.08592	11.5
98.97570	4.9
99.77603	3.4
105.07050	11.3
107.08567	4.8
108.95868	10.2
109.06541	4.6
115.07522	4.3
116.96364	7.1
121.10169	3.7
123.08106	5.0
126.98440	8.8
128.96307	5.3
129.07004	5.4
130.96303	15.9
130.97914	6.6
132.95804	4.5
133.10149	4.4
134.97388	6.3
134.98889	4.5
137.99507	5.2
138.98413	8.8
139.96361	9.6
139.97426	3.3
141.00949	3.7
142.97874	4.2
144.95807	5.3
144.99457	8.8
146.97401	9.9
148.97357	31.0
148.98987	10.2
149.97203	14.7
150.96927	6.9
151.02109	5.1
154.97871	4.9
156.00624	7.5
156.99437	10.0
157.97360	32.6
158.97322	10.8
159.01018	6.5
160.98970	7.5
164.99977	10.0
165.03548	7.7
166.97954	10.7
168.99478	5.9
171.98972	5.2
172.98955	8.6
178.97926	9.4
181.98529	12.3
184.98923	6.8
186.01372	7.8
187.00555	7.6
191.00020	4.4
191.01634	4.1
192.99557	4.4
193.03157	4.3
196.98897	4.8
197.07359	4.5
199.00494	5.9
199.06851	5.4
199.99574	30.9
201.02007	4.6
201.03673	10.2
207.00972	5.0
208.56503	3.7
210.94348	4.9
211.00554	3.6
213.02007	6.5
215.01653	3.4
215.03690	6.3
215.77757	4.3
217.03078	4.5
217.07443	4.0
220.98880	4.0
223.01147	4.0
225.02016	4.6
227.03668	5.2
229.05231	19.1
237.01842	3.9
241.05251	7.0
252.95630	7.7
253.05258	6.3
255.06735	5.3
264.02643	4.3
267.06775	100.0
270.96475	10.4
271.06375	11.5
279.05115	4.0
280.05023	6.2
281.04666	11.2
283.06308	12.3
285.07831	84.6
297.05856	20.1
298.96051	11.7
299.05621	32.5
299.95963	4.4
307.10052	5.4
307.97250	8.2
308.09451	20.5
329.11707	4.6
332.26956	4.1
347.12958	84.4
365.14026	28.4
371.79672	4.1
377.13104	4.5
378.13452	3.7
383.15326	6.4
388.15512	4.0
393.27731	4.0
406.22647	47.0
406.30542	14.4
420.28235	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	406.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14568	4.4
54.46340	4.8
55.05505	10.2
55.93518	10.7
56.94309	6.6
56.96557	10.6
57.07065	17.1
61.02914	10.3
62.15143	4.6
67.05496	20.1
69.03424	10.0
69.07068	33.6
70.06587	5.0
70.38187	15.1
70.38568	8.4
70.95868	18.0
72.93788	43.6
79.05480	16.2
81.07064	22.3
83.04946	5.6
83.08626	6.2
85.02889	8.0
88.96883	10.8
90.94818	21.2
91.03977	5.5
91.05471	21.1
93.07052	17.4
95.04952	4.8
95.08606	10.8
97.02872	9.6
105.07026	6.4
107.08599	6.2
108.95876	11.7
109.10221	5.8
111.04460	4.9
116.96382	5.5
117.06995	5.8
119.08577	9.8
128.96368	10.7
133.10127	9.3
135.11708	6.5
136.52977	4.6
138.98395	9.5
141.01036	4.8
142.97960	6.2
144.99416	5.3
146.97382	6.2
148.98981	5.9
149.09599	5.5
150.96864	8.2
154.97856	11.0
155.08636	4.6
156.99449	6.5
158.97487	5.3
160.98965	4.4
164.00052	4.4
165.00020	8.9
165.97139	8.5
166.97935	7.9
167.01337	4.3
168.99422	5.4
170.97400	6.8
171.01016	5.8
172.98952	4.2
178.97919	11.4
180.99432	9.9
184.98924	8.3
186.01282	6.5
188.98535	6.7
192.99580	4.7
195.01091	4.9
197.07271	11.6
201.03618	12.8
213.02052	8.6
217.03165	4.8
219.04962	4.5
222.12233	4.8
225.02116	7.1
229.05118	10.8
253.05136	5.0
265.05121	7.5
267.06741	71.0
271.06259	21.1
273.10184	4.5
281.04675	21.2
283.06281	19.5
285.07785	47.8
299.05759	39.9
305.11694	6.6
308.09268	9.1
327.10501	5.1
347.12985	100.0
349.16888	7.0
365.14050	35.1
378.13428	12.7
383.15091	15.9
401.14929	7.3
406.18536	6.5
406.23318	30.4
406.35291	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	406.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.2
55.05506	1.7
56.05042	6.3
57.03436	5.1
57.75697	0.7
58.06612	0.9
58.99587	9.3
67.05479	0.8
68.05035	1.3
69.07072	1.0
69.83002	3.4
70.06583	0.8
72.08147	0.7
73.01128	1.5
73.58912	0.7
74.00629	1.3
74.02502	0.7
76.01837	1.2
76.02230	17.1
76.03964	1.7
78.06527	0.8
79.05474	4.0
81.07059	16.2
83.06123	1.8
83.96863	0.7
84.04509	22.3
84.08130	1.1
85.01102	2.4
86.00642	3.7
86.99076	5.1
87.02698	5.2
88.02201	2.0
95.04967	1.2
95.08604	3.5
96.08094	0.9
97.01083	0.8
97.06506	0.9
98.06052	0.9
98.09692	11.9
99.05578	1.1
99.08103	4.2
102.05569	4.5
105.07030	1.9
110.09665	2.0
112.03952	2.9
113.04237	6.2
115.05822	1.8
116.01679	18.4
122.09671	1.0
127.05759	1.2
129.06543	3.5
130.05005	6.7
130.06860	4.5
130.08649	2.0
137.75496	0.7
139.05751	2.1
142.03198	2.2
142.05049	1.1
143.02737	1.2
144.01131	8.0
145.05966	1.0
156.08418	18.1
156.10201	11.3
157.06816	7.9
162.02197	19.0
170.02679	1.1
174.09483	13.0
179.04837	9.2
184.07510	0.9
189.03326	1.7
210.11282	3.0
216.06898	6.4
233.05936	2.5
233.88394	0.8
238.51698	0.7
259.11127	100.0
260.11420	3.0
260.89380	0.7
285.12787	0.9
308.09250	0.8
313.12064	2.7
327.58395	0.8
331.13129	5.5
331.59747	0.8
343.13306	1.4
388.15259	1.4
406.16782	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63491	0.3
56.51716	0.3
57.07064	1.8
69.07048	0.6
74.69431	0.3
79.05466	0.8
81.07034	0.7
109.07597	0.4
123.04258	0.4
123.09196	0.5
134.07118	1.1
136.08669	1.8
141.77852	0.3
148.08676	3.0
149.09436	0.5
150.10249	1.0
154.09744	0.9
160.08798	0.4
164.08177	0.6
178.09767	1.1
192.15018	0.3
193.13327	0.5
197.07245	0.5
201.31285	0.3
205.12067	1.1
220.14424	100.0
221.14795	2.7
234.15981	17.7
235.16766	82.0
236.17123	2.2
301.65451	0.3
362.16190	3.7
406.15231	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	406.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55702	0.9
55.01864	4.4
55.05508	3.2
56.05043	8.2
57.03440	5.6
58.99590	13.0
61.01151	1.3
67.05479	0.8
68.05041	1.8
69.07076	1.3
69.64587	5.4
70.06593	2.3
72.08148	1.4
73.01125	2.2
74.00676	2.7
76.02232	24.8
76.04008	3.2
79.05479	5.5
80.03944	0.7
80.05040	0.9
81.03411	0.8
81.07058	18.8
83.06113	2.1
84.04506	32.6
84.08120	1.0
84.95855	0.9
85.01117	5.2
86.00648	4.3
86.09703	1.2
86.99052	9.7
87.02692	10.2
88.02222	2.8
93.07077	1.0
95.08606	4.2
97.01119	1.1
97.06559	2.4
98.09695	13.3
99.08104	5.3
99.56174	0.8
101.00581	1.3
102.05544	6.2
105.07014	2.3
110.09673	2.8
110.82423	0.8
112.03973	5.1
113.04225	8.1
115.05782	2.1
116.01680	27.6
122.09692	2.5
123.08051	1.5
127.05814	2.2
129.06590	3.1
129.07439	1.0
130.04999	9.4
130.06889	5.2
130.08601	2.2
139.05771	1.8
142.03249	3.5
143.02742	1.1
144.01152	10.9
145.05977	1.3
147.93887	0.8
156.08438	25.2
156.10208	15.7
157.06818	10.4
157.08739	1.1
162.02217	27.5
170.02740	1.5
174.09479	14.7
174.10959	0.9
179.04871	9.4
184.07707	0.9
210.11359	4.6
213.10629	1.2
215.04912	1.4
216.06926	7.2
233.05960	2.4
259.11124	100.0
260.11511	2.9
285.12717	2.0
308.09244	1.3
313.12128	5.0
330.51004	1.1
331.13217	7.7
406.16840	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	0.6
53.03933	0.4
55.05510	3.4
57.07074	29.7
63.64443	0.4
67.05493	1.4
69.07066	100.0
69.55133	2.8
70.07417	1.2
70.07838	7.9
71.08161	0.4
78.18192	0.3
87.00031	0.4
91.05508	0.8
91.64712	0.4
94.04213	0.6
95.04955	1.1
97.06536	0.4
99.00010	5.2
103.03130	1.2
103.43071	0.3
105.03406	0.3
111.04439	0.9
113.01562	2.9
115.07563	25.9
124.06746	0.3
126.99466	11.6
127.03123	0.5
129.01028	16.5
139.00578	1.5
141.01015	20.6
141.21356	0.3
142.01335	0.5
155.02576	8.2
161.09674	0.7
190.09819	1.1
197.07280	81.2
198.07631	1.2
225.06758	4.6
236.13852	0.9
364.14215	4.4
406.15204	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	406.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06813	0.2
57.07068	2.1
63.65334	0.2
67.05504	0.4
69.07053	1.5
70.04076	0.2
70.28030	0.2
70.28372	0.9
74.53786	0.2
79.05477	0.3
81.07058	1.0
82.06590	0.3
84.20522	0.2
84.43969	0.2
86.03502	0.3
95.08599	0.3
96.08100	0.3
98.20934	0.3
105.06993	0.2
108.08126	0.2
109.63594	0.2
112.99298	0.3
113.00011	3.2
123.04231	0.3
123.09166	0.2
124.53594	0.2
126.99478	0.2
129.01048	0.2
134.07114	0.7
135.07933	0.4
136.08704	1.5
141.01009	0.4
147.83267	0.2
148.08670	2.8
149.09444	0.7
150.10292	1.3
154.09715	0.9
159.07928	0.2
162.10233	0.2
164.08174	0.3
169.02594	2.6
178.09732	0.7
190.09619	0.3
193.13336	0.5
197.07263	0.4
205.12070	0.8
220.14423	100.0
221.14749	3.2
234.15988	11.6
235.16765	69.6
236.17110	2.7
345.57852	0.2
362.16299	2.1
406.15240	29.2
407.15466	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	406.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.4
55.05508	2.2
57.07071	100.0
58.07404	1.2
67.05504	1.4
69.07063	34.3
70.04072	9.2
70.07439	0.6
70.07846	2.3
71.08625	0.7
79.05496	0.3
81.07060	0.9
83.04865	0.4
83.08604	0.6
84.08941	0.5
84.87718	0.3
85.10227	0.4
89.06049	0.7
91.05468	0.4
93.07066	0.5
95.04984	0.5
96.02021	0.4
97.06506	0.4
98.10521	0.3
99.00005	1.4
109.07626	0.4
111.04390	0.6
113.00011	9.5
113.01560	1.3
114.00426	0.7
114.03002	5.2
115.07563	9.0
115.08371	0.6
116.98650	0.6
121.06454	0.7
126.99440	3.5
129.01028	5.0
129.01955	0.6
133.08606	0.6
134.99664	0.8
136.08691	11.0
136.09749	0.6
137.09053	0.3
138.02985	2.0
139.00534	0.5
139.03795	0.9
141.01007	6.5
148.08673	0.5
149.13187	0.3
153.00746	0.4
154.09756	1.2
155.02589	2.7
157.06361	0.9
158.19670	0.3
161.09593	0.4
169.02599	7.9
170.02963	2.1
178.98944	0.5
192.03267	0.4
197.00009	1.1
197.07272	22.1
198.07622	0.4
220.02715	3.6
220.14445	3.9
225.06682	1.5
225.25983	0.3
234.15938	1.6
235.16745	2.8
238.03792	1.7
238.22473	0.4
248.02199	4.2
250.15434	0.6
258.99652	0.4
266.03256	16.4
267.03580	0.4
277.00409	0.3
278.15012	1.3
344.16571	0.3
350.09018	8.6
351.88495	0.3
360.14737	0.3
378.15768	8.1
389.19901	1.1
401.16788	0.6
406.15234	28.0
407.15527	1.2
419.17587	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
55.05503	5.1
56.90883	1.2
57.07076	30.6
57.78817	1.2
62.06086	2.2
62.74357	1.3
67.05502	6.8
69.07069	100.0
70.04080	2.8
70.04658	3.6
70.05080	2.5
70.07842	5.9
72.08167	1.4
77.00902	2.4
79.05493	3.8
81.07053	6.2
83.04987	5.3
85.02788	1.3
91.05508	1.8
93.07066	2.8
95.01958	2.0
95.04971	1.7
95.08611	2.4
99.00037	5.8
109.10114	1.4
113.01563	3.0
115.07561	12.1
126.99480	10.2
129.01038	17.4
138.03062	1.9
141.01016	17.9
150.10370	1.9
152.08246	1.4
155.02591	6.6
161.09593	1.4
162.06628	1.9
166.06131	20.2
168.11336	1.2
180.07664	10.1
181.08450	12.1
194.09242	5.6
195.10007	2.2
197.07291	53.1
198.07623	1.9
205.09023	1.4
222.08707	2.8
225.06770	2.6
237.06789	3.0
238.03699	1.7
243.14381	8.9
244.14621	2.3
245.14243	1.6
259.11197	1.7
260.13922	3.9
261.15460	2.5
278.15048	9.7
279.15866	3.4
323.59683	1.5
335.20526	2.7
335.25458	2.5
350.08896	5.2
353.21722	16.8
354.21945	3.7
355.21686	1.8
406.15308	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	405.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61893	3.8
55.01862	11.1
55.05515	30.7
57.03428	11.2
57.07063	9.2
59.17627	3.9
67.05505	51.7
69.03431	21.4
69.07076	29.2
69.13573	4.3
69.49972	36.5
71.04985	8.7
79.05495	38.3
81.03415	28.8
81.07062	56.6
83.04961	8.5
83.08598	16.7
85.02891	8.7
88.49324	4.4
91.05485	45.4
93.07049	49.2
95.04958	11.6
95.08601	42.3
95.89452	3.9
97.02895	9.4
97.06538	8.5
97.10154	10.6
99.04424	4.7
105.07039	45.9
107.04918	8.3
107.08611	26.2
109.02790	4.3
109.06521	8.9
109.10154	22.2
111.04438	6.2
111.08143	5.5
113.00015	100.0
117.07034	20.7
119.08572	34.9
121.06470	8.7
121.10130	26.8
123.11686	5.4
124.38718	4.9
129.06987	12.9
131.08589	36.4
133.06464	12.0
133.10120	27.7
135.11674	17.5
143.08563	13.9
145.06441	8.9
145.10138	27.5
147.08032	7.6
147.11676	15.3
147.19232	4.4
149.09599	5.1
149.13249	11.1
155.08537	12.0
157.10136	13.5
159.08022	7.2
159.11662	16.8
161.13275	15.9
163.07477	5.6
167.08592	6.5
169.02628	83.8
169.10196	10.5
171.11693	15.6
173.13252	16.7
175.14807	5.3
181.10124	7.6
183.11650	10.7
185.13226	7.9
187.14809	6.1
197.13274	9.8
227.74507	5.2
273.22223	11.8
301.21616	9.2
313.21719	5.9
315.23093	7.3
319.22638	7.1
323.23843	7.4
341.24722	10.3
351.23065	13.3
369.24118	31.2
387.25327	27.9
405.26263	58.5
405.31494	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	406.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22228	2.3
55.01857	4.0
55.05503	7.1
56.05027	3.8
56.96544	6.8
57.03430	5.7
62.85982	2.8
65.03927	3.9
67.05514	6.5
69.03429	6.6
69.07040	6.3
70.06571	13.0
71.04980	2.8
71.60406	3.1
72.08140	6.2
79.05485	8.5
81.03453	4.7
81.07039	10.3
84.08107	4.7
85.02887	7.6
86.09701	5.6
87.04453	6.5
88.07620	2.7
91.05457	8.4
93.07032	8.8
95.04943	5.2
95.06055	6.3
95.08628	3.3
95.54989	2.7
97.02879	5.3
97.06529	2.9
100.11246	4.0
105.07009	7.2
107.04951	100.0
107.08559	6.0
108.05305	3.8
109.06534	2.7
110.09650	3.3
112.07560	2.6
116.10751	4.0
116.27789	2.6
117.06989	2.8
120.04444	47.6
120.08106	4.5
121.02864	6.7
121.06473	6.7
129.19656	2.6
130.04875	2.9
138.05487	27.3
162.12885	2.7
190.08777	2.6
229.04944	5.6
244.09758	7.9
257.04440	12.7
257.06845	3.6
259.11115	3.7
260.09985	2.6
285.03909	28.6
302.21185	2.8
313.03442	46.3
315.04926	4.6
316.05212	6.1
345.89151	3.0
365.50662	2.9
379.07797	3.0
388.24673	5.7
406.16949	11.1
406.25955	42.8
407.07449	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	405.2634
Annotation	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Peak:m/z	Relative Intensity
53.03942	8.1
54.93924	3.7
55.01869	16.5
55.05512	46.7
57.03437	12.9
57.07068	8.3
65.03937	5.5
67.05506	91.5
69.03076	5.8
69.03432	67.4
69.07073	44.7
71.04979	11.9
71.08618	5.2
71.59043	5.6
79.05495	67.9
79.53530	3.6
81.03046	4.3
81.03427	43.9
81.07057	100.0
83.04987	14.9
83.08631	24.1
83.11863	3.7
85.00014	4.6
85.02908	11.1
85.06544	6.8
87.04461	4.3
91.05484	84.1
93.07043	87.9
95.04968	25.1
95.07986	4.4
95.08606	77.9
97.02882	24.4
97.06527	11.6
97.10185	11.9
99.04446	4.7
103.05461	4.7
105.07028	87.4
107.04955	11.1
107.08596	56.9
109.02898	9.4
109.06525	17.2
109.10161	33.7
110.10436	3.8
111.04439	15.8
111.08146	5.8
113.00012	50.5
115.03931	7.4
115.05449	7.1
115.07539	4.9
117.07021	43.5
119.08587	66.6
121.06492	9.4
121.10159	37.5
123.04395	6.2
123.08045	10.9
123.11701	8.1
125.09659	5.2
127.03921	15.9
128.06262	5.0
129.07018	32.9
131.08572	62.9
132.42046	3.8
133.06500	13.4
133.10138	42.0
135.08084	8.9
135.11659	32.1
137.09641	8.1
139.07510	5.6
141.07025	7.7
142.07779	5.6
143.08553	27.1
145.06473	10.4
145.10129	51.6
147.08022	10.3
147.11685	33.3
149.05989	6.5
149.09612	9.5
149.13292	13.5
151.07574	6.2
151.11147	4.1
155.08551	12.2
157.10155	24.1
159.08061	9.9
159.11694	36.3
161.09645	14.1
161.13255	15.9
163.11246	6.1
167.08557	10.8
169.02637	50.4
169.10184	16.2
171.08028	8.2
171.11717	21.1
172.95294	5.3
173.09650	10.6
173.13234	27.2
175.11218	12.9
175.14816	7.1
177.12819	6.2
179.08513	5.1
181.10056	6.8
183.11691	11.5
184.07324	8.8
185.09540	7.5
185.13248	17.0
187.11131	7.0
187.14833	8.7
189.12796	8.0
195.11668	6.0
197.09645	4.9
197.13228	12.3
199.11246	7.9
199.14854	9.6
201.12814	10.8
203.14374	6.1
209.09941	4.1
211.14825	6.9
213.12621	4.5
213.16389	5.4
215.14209	4.5
216.80775	4.8
225.12715	5.3
227.14391	4.5
229.12314	4.1
254.47775	4.9
259.20615	5.6
261.21964	5.7
271.20636	7.3
273.22144	12.1
275.20163	4.2
277.21689	6.4
287.23706	6.2
289.21631	6.4
299.23447	4.6
301.21591	12.2
303.23093	8.5
307.63348	4.1
309.22192	4.5
313.21661	7.9
315.23117	18.7
319.22592	9.7
327.23242	9.3
331.22559	5.1
335.18900	4.4
341.24774	12.6
344.89297	4.3
345.24243	16.2
351.23074	16.3
357.24313	5.0
359.25754	6.4
369.24228	54.7
387.25317	47.2
405.26355	77.7
405.31555	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.5
55.01859	8.2
55.05509	30.7
56.96556	16.9
57.03424	8.2
57.07077	9.9
59.05008	2.3
61.02921	8.5
63.80191	1.6
67.05497	50.6
69.03429	9.7
69.07064	43.3
70.06575	6.9
71.04971	4.9
71.59377	2.3
71.59844	3.1
72.08152	4.4
73.02907	4.2
77.03901	2.5
79.05492	47.9
81.03416	9.1
81.07052	56.6
82.06595	2.6
83.04974	6.4
83.08617	15.7
85.02897	7.1
85.06543	4.8
91.03951	3.2
91.05476	51.2
93.07039	38.9
93.38282	2.0
95.04964	16.6
95.08593	24.3
97.02877	5.7
97.06526	4.1
97.10157	12.5
99.04468	2.5
99.08092	2.4
105.07017	44.2
105.07681	3.6
107.04951	13.3
107.08583	25.0
108.08097	3.9
109.06508	5.9
109.10148	11.3
111.08073	3.2
112.35415	1.9
115.05431	4.4
115.07558	5.1
116.98626	1.9
117.05450	2.0
117.07014	21.3
119.04975	3.1
119.08572	27.5
121.06524	10.3
121.10129	11.5
123.08073	5.3
123.11703	2.8
125.09628	8.1
127.03864	2.0
128.06241	3.7
129.07001	15.8
130.07755	2.2
131.08549	30.8
133.06490	4.4
133.10144	16.6
135.08081	5.4
135.11681	9.2
136.17892	2.0
137.09702	2.4
139.07425	1.9
141.00998	4.8
141.06969	5.3
142.07716	2.7
143.08588	14.7
145.06499	7.5
145.10109	16.3
147.08017	5.0
147.11685	8.8
148.11322	2.0
149.01248	2.7
149.09625	5.4
149.13245	3.3
155.08571	7.7
157.10097	11.2
159.08087	4.2
159.11713	8.5
160.11224	4.7
161.13272	4.5
163.11229	4.0
164.14380	2.7
166.06042	2.6
169.10126	6.2
171.08032	3.0
171.11667	10.2
173.09604	2.8
173.13280	5.5
175.11218	4.0
175.14767	2.3
177.12730	4.1
181.08513	2.8
183.11703	6.7
185.13333	6.6
187.14838	4.0
189.04349	3.2
189.11234	4.5
191.10721	3.0
193.12300	2.9
195.13814	3.0
197.07271	14.3
197.13364	4.8
199.06931	4.6
199.14856	2.5
201.12720	3.6
209.13275	2.9
215.14406	2.8
217.07457	2.9
217.15912	6.0
225.12857	3.5
229.07504	3.5
233.15404	3.1
243.09058	4.9
249.14761	3.1
255.09026	2.8
257.10834	2.8
269.10657	3.6
273.01236	3.3
273.09985	2.3
277.00580	7.7
278.01480	2.5
278.21573	2.9
283.08673	5.4
285.09937	4.7
285.22247	3.9
291.01987	17.7
292.02823	14.2
295.20502	3.1
303.23248	5.3
309.03162	3.7
313.21616	11.0
318.24478	2.9
323.10379	2.7
323.23645	3.1
331.22601	10.4
332.26053	2.3
334.27478	5.5
336.28897	6.1
341.24728	4.8
347.15576	3.6
351.23096	14.8
359.12106	8.8
365.16486	3.6
369.24203	31.9
377.13034	100.0
378.13464	5.5
382.13754	2.4
387.25272	42.3
388.32089	41.0
395.14081	30.9
400.14587	25.4
405.26447	83.5
405.34406	14.1
406.15323	3.8
406.26575	2.3
413.47232	2.6
418.15637	3.3
423.16321	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2633
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
53.03936	11.6
55.01868	11.7
55.05505	32.1
56.96552	7.8
57.03433	11.5
57.07069	28.1
61.02904	4.5
64.88092	3.4
65.03925	3.7
67.05499	86.7
69.03423	25.9
69.06712	6.9
69.07064	74.9
70.04073	11.3
70.07835	4.2
71.04990	19.4
71.59864	4.5
73.02889	4.9
79.05487	66.9
81.03418	27.9
81.07050	89.5
83.04971	18.8
83.08617	19.2
85.02903	15.9
85.06551	5.7
86.09711	4.3
89.05989	3.3
91.05473	77.7
93.07034	67.0
95.04954	18.4
95.08595	65.2
97.02904	15.1
97.06518	10.3
97.10163	8.7
98.99998	3.7
99.04439	8.0
103.05470	8.1
105.07027	85.4
107.04973	10.3
107.08586	47.2
109.02855	5.0
109.06487	16.4
109.10158	29.4
111.04438	11.4
111.08048	6.0
112.99992	3.7
115.07579	10.6
117.07012	38.9
119.08579	56.6
121.06520	15.1
121.10139	35.4
123.08059	12.1
123.11697	11.5
125.09610	5.2
126.99400	3.2
127.03907	8.0
128.06206	4.4
129.01044	4.1
129.05583	5.9
129.07014	24.3
129.80530	3.5
130.07822	3.4
131.08559	48.3
133.06491	9.8
133.10121	43.5
135.08038	12.7
135.11684	26.2
137.09587	7.7
139.41202	3.1
140.31892	3.5
141.00964	5.1
141.06989	9.5
142.07741	4.6
143.08556	22.3
145.06464	9.3
145.10097	42.9
147.08046	9.8
147.11636	27.2
149.09589	10.8
149.13274	11.7
151.07571	5.7
151.11124	4.3
154.73894	3.4
155.02562	4.3
155.08589	9.4
157.06438	4.6
157.10138	21.0
159.08058	7.7
159.11676	35.3
161.09583	9.6
161.13272	9.5
163.11218	7.7
163.14816	4.1
167.08554	4.1
169.02687	4.3
169.10141	16.3
171.08133	6.5
171.11723	20.0
172.07578	3.3
173.09720	8.2
173.13266	22.8
175.11179	11.3
175.14888	5.9
177.09140	3.3
177.12737	5.2
181.10159	7.2
183.11671	10.8
184.07335	8.4
185.09598	6.1
185.13306	16.7
187.11139	7.7
187.14864	10.6
189.12700	5.6
193.12195	4.0
195.11679	5.9
197.07233	28.9
197.13304	8.0
198.07631	4.3
199.14841	5.9
201.12741	8.2
201.14587	3.8
207.11763	6.3
207.13786	3.5
209.13293	5.3
211.14941	3.6
213.12782	6.4
213.16475	4.9
215.14282	4.3
217.15929	3.8
223.14886	6.4
227.14441	4.7
243.21036	5.0
249.12672	7.0
259.20532	8.7
269.10825	5.0
271.20645	6.7
273.18521	4.1
273.22055	8.9
277.21671	4.8
285.22171	7.1
289.21674	13.3
291.02081	23.8
291.19745	5.8
291.23209	5.8
292.02936	6.9
295.20364	4.2
297.21872	4.9
301.13235	5.3
301.21576	13.9
303.23145	12.3
313.21609	10.0
315.23172	12.9
319.22665	7.6
327.23340	7.5
331.22662	10.7
341.24649	9.7
345.24170	11.9
347.15344	9.9
351.23126	11.7
359.25571	4.9
365.16452	16.5
369.24203	53.3
387.25327	46.4
401.16663	9.1
404.79303	21.6
405.21918	5.8
405.26157	100.0
405.34225	7.0
406.26755	5.2
419.17719	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
55.05515	5.6
56.96565	1.0
57.03432	3.2
57.07069	2.3
67.05501	7.4
69.03433	1.4
69.07073	7.0
71.04989	0.9
71.08625	2.0
74.53986	0.6
79.05487	5.4
81.03394	0.7
81.07058	9.9
83.04979	1.3
83.08613	3.3
85.02899	0.7
85.06511	0.6
91.05476	5.2
93.07047	7.7
93.65595	0.6
95.04951	1.5
95.08609	10.3
95.09188	1.3
95.22825	0.6
97.06537	2.1
97.10137	1.0
99.08097	1.8
101.36251	0.5
105.07021	7.3
107.04978	1.3
107.08598	8.1
109.06524	5.6
109.10135	3.6
111.08081	0.9
117.07024	2.2
119.08583	9.6
121.06546	0.9
121.10143	5.9
123.08063	10.6
123.11716	2.1
129.06973	0.7
131.08560	3.5
133.10139	6.3
135.08047	6.6
135.11681	2.1
137.09605	1.3
137.13232	1.4
143.08566	0.9
145.10136	3.6
147.08112	0.6
147.11671	3.8
149.09645	2.1
149.13257	2.4
152.20981	0.7
155.08658	0.7
157.10159	1.1
159.11668	3.3
161.09656	1.1
161.13264	1.8
163.11194	0.6
163.14809	0.8
165.12758	1.4
167.14418	0.8
171.11697	1.2
173.13278	1.9
175.14806	4.4
177.12753	1.2
177.16490	0.9
179.14325	9.4
187.14832	1.2
191.14339	2.0
199.14752	0.8
205.15872	1.5
263.20081	0.9
289.21613	1.7
289.25372	0.8
293.21124	1.1
295.83746	0.6
303.26706	5.8
303.29446	0.6
319.22626	0.9
331.26303	24.9
349.27365	2.7
361.27463	0.8
387.29196	1.7
405.22458	100.0
405.30109	17.4
406.22812	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	405.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	2.2
53.03933	5.4
55.01867	7.2
55.05504	50.5
55.24591	1.3
56.96564	7.9
57.03416	5.4
57.07054	3.7
58.07328	1.4
59.04980	1.6
59.12059	1.4
61.02908	5.2
65.03928	5.9
67.05498	80.3
69.03417	5.5
69.07061	49.1
69.07446	2.5
71.04978	11.8
71.08605	1.3
71.30836	2.6
72.93805	1.6
73.02908	3.0
73.06546	3.3
79.05485	71.6
81.03394	7.0
81.07047	89.7
82.07330	2.1
83.04969	9.1
83.08611	36.6
85.02895	7.1
85.06547	7.2
86.09717	1.8
90.94838	1.8
91.03934	5.3
91.05471	99.1
92.05832	2.2
93.07032	67.5
95.04951	16.6
95.08596	51.8
96.08947	1.5
97.02873	4.9
97.06522	11.8
97.10161	10.1
99.08052	2.6
101.02385	1.9
103.05439	5.2
105.07019	70.5
106.41948	1.4
107.04953	11.1
107.08580	31.7
109.02837	1.5
109.06471	8.2
109.10137	16.6
109.84898	1.5
111.08069	11.1
115.05444	8.6
115.07584	1.6
116.06245	4.7
117.07005	69.3
119.04921	3.5
119.08565	36.9
121.06495	13.2
121.10130	22.4
123.08052	9.2
123.11662	2.6
125.09598	6.2
126.28016	1.6
128.06235	13.3
129.06024	3.0
129.06990	61.3
130.07782	3.3
131.00095	1.8
131.04915	4.4
131.08551	100.0
133.06450	10.2
133.10114	24.7
135.08029	8.1
135.11681	13.1
137.09581	5.1
139.11154	8.3
141.06966	21.0
141.09050	2.1
142.07796	8.9
143.08537	49.8
145.06502	11.4
145.10107	33.3
147.07993	9.3
147.11681	11.5
149.09593	8.7
149.13232	4.9
151.11143	3.0
153.07019	3.9
154.07767	3.7
155.06024	2.1
155.08542	39.8
157.06503	4.0
157.10114	25.3
159.08038	6.8
159.10341	2.5
159.11684	16.8
161.09608	5.9
161.13220	2.1
163.07446	2.1
163.11156	5.6
165.06938	4.2
165.09106	2.0
165.12779	2.0
166.07745	3.8
167.08521	15.8
168.09386	2.5
169.10098	24.1
171.08009	5.4
171.11694	14.4
173.09576	2.8
173.13249	6.1
175.09657	7.2
175.11180	5.5
175.14865	3.0
177.12735	5.7
179.08507	7.2
180.09290	2.6
181.10106	18.9
181.11711	2.5
183.11662	11.2
185.09631	3.6
185.13214	13.1
187.11143	5.2
187.14842	2.5
189.12720	3.6
192.09283	2.0
193.10112	7.1
193.12195	2.4
195.11693	16.8
197.13228	10.2
199.11043	2.1
199.14793	5.9
201.12761	2.4
203.12680	3.1
203.14409	2.8
205.10210	1.8
205.12254	3.4
207.11711	6.6
207.13737	3.8
209.13280	10.4
211.14767	8.5
213.12694	4.4
213.16415	6.1
215.14334	3.3
217.12308	1.9
219.13762	2.3
221.13280	14.6
221.15225	3.2
223.14780	20.4
225.07906	2.2
225.12666	3.8
225.16415	4.2
227.14354	3.7
229.15942	2.3
231.13799	2.1
233.13248	3.4
233.15369	15.2
235.14784	7.4
237.16301	1.7
239.14304	9.2
241.15898	6.0
243.08897	2.2
243.13817	1.9
245.15323	3.1
247.16991	5.0
249.16452	1.9
253.15865	4.9
255.09171	3.1
255.17422	1.6
257.15338	9.8
259.16965	4.6
261.14780	2.4
267.17645	2.7
271.16977	10.1
273.18564	2.0
275.16489	3.3
275.20056	4.2
281.10556	2.1
283.17075	2.0
285.18521	4.5
299.11462	1.6
301.09479	2.1
305.22556	3.0
315.20981	2.0
316.23102	1.5
323.15372	2.1
323.23645	10.7
331.28458	1.5
333.22009	15.8
341.24738	14.0
349.16882	3.3
351.23154	43.9
352.23633	2.3
359.25809	4.3
367.18127	2.5
369.24179	35.8
377.26794	2.1
382.10080	1.7
387.25290	39.0
405.26733	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	405.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	1.4
63.06664	0.8
69.07072	1.3
70.09811	1.7
70.10225	2.6
79.05497	1.4
80.10540	0.8
81.07053	1.9
82.58216	0.8
83.05021	0.8
84.08176	1.7
93.07038	1.2
107.04971	1.8
107.08580	0.9
133.06572	0.9
143.51526	0.8
148.14525	0.8
157.10025	0.8
160.13358	0.8
171.61696	0.9
180.93118	0.9
188.32565	0.8
248.16510	1.5
331.18213	1.2
387.21542	2.6
387.27017	1.3
405.22498	100.0
405.31647	2.7
406.22885	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	405.2246
Annotation	Met Arg Val
Peak:m/z	Relative Intensity
67.05504	0.6
67.79936	0.5
70.36351	1.0
81.07056	0.6
84.08131	0.5
86.49022	0.4
91.05520	0.5
93.07013	0.6
95.08598	0.5
107.04961	0.7
119.08617	0.6
130.53012	0.5
213.90073	0.5
219.60072	0.5
291.20642	0.8
331.18378	0.8
370.66394	0.5
387.21396	0.6
405.22479	100.0
406.22687	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	405.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
55.05495	2.1
55.93509	1.2
56.96553	2.6
57.03410	0.7
57.07063	0.7
61.02918	1.2
67.05503	4.2
69.03419	0.8
69.07056	4.8
70.95873	0.9
72.93781	2.9
73.02931	0.7
79.05486	2.8
81.03400	1.5
81.07050	4.1
83.04968	1.0
83.08604	1.1
85.02888	1.7
88.96884	0.6
89.95108	0.7
90.94810	2.8
91.03934	1.1
91.05477	3.4
93.07057	2.5
95.04971	1.6
95.08590	2.2
97.02848	1.0
97.06535	0.6
97.10175	0.6
97.37168	0.5
98.97594	1.7
105.07017	1.9
107.04941	1.5
107.08579	2.3
108.95859	1.1
109.06560	0.7
109.10110	1.0
110.84618	0.5
114.55085	0.5
116.96284	0.6
116.98603	3.9
117.07017	0.9
119.08562	1.3
121.06468	0.6
121.10104	0.6
129.07030	0.7
131.08559	1.4
133.10161	1.1
133.16624	0.6
134.97452	0.6
134.99661	2.2
135.08049	0.8
135.11642	0.8
137.05943	1.5
138.06284	0.9
141.00999	0.5
145.10120	1.2
146.97346	0.7
147.11615	0.7
148.98965	0.8
153.00690	0.8
158.01189	0.6
159.11632	0.6
164.99944	0.6
166.97836	0.6
171.01086	0.5
172.98997	0.7
184.98833	1.1
192.99510	0.7
193.53647	0.5
197.01138	0.5
197.07281	0.8
201.03676	0.7
217.07462	0.9
221.02469	0.6
222.12422	0.7
223.00424	0.6
225.02013	0.6
225.07889	0.6
227.03525	0.7
229.05344	0.6
233.15375	0.6
235.02654	0.8
236.03065	0.8
243.09073	0.7
253.03720	2.1
254.04117	2.8
265.16498	0.6
266.07193	0.7
267.06763	4.3
267.09213	0.8
270.06635	0.6
271.06244	1.6
277.00583	0.9
277.05515	0.6
278.01273	0.6
281.04730	1.3
281.10107	0.8
282.06500	0.9
283.06290	1.7
284.08255	1.0
285.07632	4.1
290.16232	0.6
291.02075	2.0
292.02832	2.6
299.05807	2.1
308.09271	1.1
309.03040	0.6
327.10428	0.6
345.11392	1.0
346.13345	1.5
347.12881	8.5
359.11938	0.9
364.14532	0.9
365.13800	3.3
366.83939	0.6
367.18231	0.7
377.13007	16.0
378.13217	1.4
383.15146	0.8
388.31958	0.8
395.14142	5.2
400.14639	4.0
405.18170	3.6
405.22433	100.0
406.18448	1.3
406.22949	7.6
418.15625	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16157	0.2
53.03912	0.2
55.01846	0.4
55.05509	0.4
56.96552	0.3
57.03436	0.5
69.03417	0.3
69.07030	0.2
69.48611	1.8
70.06585	1.2
70.91753	0.3
71.04962	0.4
72.08144	0.4
79.05472	0.7
81.03387	0.4
81.07050	2.7
82.99155	0.2
84.08101	0.6
86.09680	0.4
87.04455	0.4
89.06001	0.3
91.05506	0.2
93.07040	0.3
95.04948	0.8
97.06550	1.1
98.03561	1.0
98.20795	0.4
98.52947	0.2
99.08054	0.5
99.54887	0.2
107.04944	24.9
108.05274	0.5
114.09171	0.6
115.05001	0.6
120.08092	0.5
121.10297	0.2
126.02122	0.4
126.02979	4.6
135.09120	0.2
136.05080	0.7
142.08595	0.4
144.04024	1.9
150.10298	0.6
152.23912	0.3
154.02464	0.8
158.05588	3.3
163.03917	0.3
164.04567	0.9
178.09737	0.5
179.06937	0.2
180.07649	0.6
191.03387	0.3
196.10814	1.5
206.09300	0.7
214.50948	0.2
215.06979	0.4
224.10271	100.0
225.10606	2.4
236.75766	0.2
238.11812	2.9
242.11331	7.9
254.11441	0.3
256.12897	27.9
256.66818	0.2
257.13251	0.6
259.09747	0.7
267.10638	0.3
268.12906	7.3
269.10614	0.4
295.07111	0.2
299.13443	1.2
311.05396	0.2
319.06894	0.2
345.10495	0.3
362.17065	21.9
363.17322	0.7
384.35602	0.2
405.12393	0.3
405.17606	1.0
405.23148	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.01861	0.4
55.05513	0.3
56.96575	0.3
57.03432	0.4
61.02911	0.4
69.07037	0.3
70.06581	0.7
70.16412	0.6
70.16823	1.1
71.52118	0.3
79.05480	0.7
81.07040	3.0
85.02869	0.9
86.09702	0.4
91.05495	0.4
94.06507	0.3
95.02420	0.3
95.04956	0.9
97.06505	0.8
98.03529	0.9
98.09731	0.4
99.08063	0.8
105.07040	0.4
106.04145	0.3
107.04948	23.5
108.05258	0.6
109.06508	0.3
110.09704	0.3
114.09129	0.4
115.04993	0.6
120.08115	0.4
121.06495	0.7
124.80515	0.3
126.03001	4.1
136.05113	0.7
144.04024	1.7
144.51379	0.3
154.02448	0.7
158.05611	3.2
163.03833	0.5
164.04541	1.0
178.09787	0.5
180.07700	0.6
196.10837	1.5
197.06964	0.4
206.09238	1.2
215.07083	0.3
224.10284	100.0
225.10614	2.3
238.11858	4.2
242.09070	0.6
242.11346	6.9
243.11679	0.4
256.12912	34.8
257.13220	0.9
259.09583	0.9
267.10846	0.6
268.12930	7.4
286.77383	0.3
299.10428	0.3
299.13507	1.6
321.12524	0.4
345.10751	0.5
362.17081	23.4
363.17233	0.9
373.10159	0.9
405.12509	0.5
405.17709	2.1
405.22900	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91993	3.1
51.52380	2.6
53.03940	7.2
55.01872	3.8
55.05495	13.3
56.05039	4.6
56.96577	4.9
60.04541	4.2
60.08172	3.7
61.01149	10.3
61.02914	3.4
67.05502	16.6
69.07065	8.2
69.56015	27.3
70.06589	77.6
71.04987	6.8
72.04527	22.0
72.08147	27.5
78.03804	16.8
79.05467	10.6
81.03412	20.4
81.07056	10.0
84.04501	18.1
84.08141	41.7
85.02921	6.1
85.06543	6.6
86.09702	54.6
87.05587	5.1
87.10022	4.8
88.02183	6.6
88.03953	3.8
91.05470	14.6
93.07047	11.0
95.04941	5.1
95.06039	3.8
98.09711	3.6
98.98499	4.1
99.03837	6.1
99.04447	74.3
99.05535	5.0
102.03764	23.8
102.05535	5.7
103.05428	4.6
104.10721	4.3
105.07011	6.6
107.04932	24.6
108.05289	4.0
109.02888	9.5
109.10152	8.9
110.07174	22.6
112.08731	4.5
114.03741	7.2
116.98621	4.3
117.98958	3.6
119.08572	5.0
120.08127	22.1
121.06475	11.3
122.06850	12.5
124.07568	5.2
127.03923	85.0
129.06987	4.0
129.10266	16.5
130.05025	4.8
131.06383	15.5
131.08618	5.2
132.04799	29.1
136.07579	7.5
137.09592	6.4
142.08604	7.2
143.08504	3.9
147.04402	4.0
147.08044	4.0
149.07437	100.0
161.09624	13.6
165.09143	9.6
179.01059	4.3
182.26144	3.4
184.07365	9.7
188.06978	4.1
198.07617	66.2
202.05832	3.5
207.10184	8.4
240.44160	4.1
248.16533	4.1
261.12668	28.5
274.13699	3.9
275.10574	78.1
291.20654	4.7
368.19946	3.5
387.15863	49.9
405.32205	5.5
425.75351	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01850	2.5
55.05505	4.7
57.03414	2.4
57.07069	17.7
67.05490	2.8
69.07065	11.4
69.29326	6.2
70.04073	22.7
71.08617	0.6
79.05473	1.8
81.07034	2.3
83.04967	0.7
83.08610	3.8
84.08134	4.3
91.05482	0.7
93.07013	1.4
93.96653	0.5
95.04935	2.3
95.08591	1.6
96.08096	1.1
97.06503	2.6
97.10152	2.0
98.20764	1.0
105.07077	0.6
107.08602	1.1
108.08118	5.4
109.08893	0.7
109.10152	0.7
110.06080	0.9
111.11720	0.8
113.00006	37.4
113.01550	7.1
113.05994	1.4
121.10107	2.3
123.11701	0.9
125.01549	1.6
126.10227	1.5
126.99486	0.7
129.01030	0.8
135.11641	0.8
140.02577	3.3
141.01006	15.8
153.00980	1.4
156.09357	1.0
164.14337	1.1
165.00972	2.6
166.00595	1.4
167.01285	0.9
168.02101	9.4
169.00554	3.7
169.02602	33.3
169.03992	1.6
178.00534	7.5
182.07208	0.7
184.01572	1.4
192.02039	2.7
193.04189	2.1
195.17859	0.5
196.01591	4.7
197.07275	6.6
199.09846	1.3
206.07362	0.5
209.07260	1.0
219.05804	1.3
220.05205	0.8
221.06029	2.1
224.01112	1.1
234.06778	10.5
236.08337	9.4
237.22069	3.3
244.05141	0.7
252.07863	6.5
262.06198	1.0
268.87122	0.6
280.07321	100.0
281.07605	2.6
292.14572	8.7
322.30945	0.6
337.12106	0.8
360.44281	0.7
389.95795	0.8
405.16705	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	405.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.1
55.05516	4.2
57.03427	1.6
57.07069	21.9
59.04976	0.7
59.46025	0.7
64.57189	0.7
67.05509	3.5
69.07064	25.2
69.85500	4.2
70.04072	22.1
70.07387	0.6
70.07838	1.0
72.13412	0.6
79.05471	1.6
81.07033	2.5
83.08604	3.5
84.08131	4.0
91.05489	1.0
93.07008	1.8
95.04942	2.8
95.08584	1.6
96.08118	1.4
97.06506	2.6
97.10127	1.7
99.00010	1.1
105.06991	2.0
107.08567	1.6
108.08096	5.0
109.08847	0.8
113.00005	26.3
113.01550	7.2
113.05979	2.0
115.07561	4.9
119.08546	0.8
121.10120	2.1
124.03960	1.2
125.01469	1.0
126.10276	1.7
126.99400	1.7
129.00999	4.4
135.11655	1.4
138.99454	0.8
139.00554	0.8
140.02576	2.8
141.00995	17.9
153.01021	1.2
155.02541	1.4
155.27135	0.6
165.01012	2.1
166.00502	0.9
168.02083	8.4
169.00536	5.1
169.02594	27.1
169.04004	1.5
178.00529	7.2
184.01563	1.9
184.07314	0.9
192.02029	2.4
193.04123	2.0
196.01596	5.1
197.07262	20.0
198.09282	1.1
219.05731	1.1
221.05951	2.6
224.01022	1.6
225.06773	1.5
234.06747	9.6
236.08327	8.5
237.22119	1.6
244.05348	1.1
252.07883	6.3
257.43149	0.7
262.06186	1.4
278.15314	0.7
280.07324	100.0
281.07651	3.0
292.14618	8.9
337.11978	0.9
405.16806	3.4
405.34219	0.7
406.15860	1.1
419.17511	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.5
55.01862	0.8
56.05033	0.8
56.96557	0.8
67.05480	1.4
69.03419	0.7
69.07049	0.6
70.06588	2.4
71.04986	0.6
71.59991	0.7
72.08145	0.7
74.01471	0.4
75.54691	0.4
77.03931	0.6
79.05489	4.0
80.05009	1.0
81.03405	1.2
81.05778	0.6
81.07036	1.1
82.06566	1.3
84.08129	1.5
85.02881	1.5
86.09700	1.3
91.05474	2.9
93.07043	6.0
93.12383	0.5
94.06556	4.7
95.04980	1.3
95.07343	6.2
95.08592	0.8
96.08125	11.3
97.02892	1.0
97.06507	2.5
98.34106	0.5
103.05452	2.2
105.05768	0.6
105.07044	0.8
106.06535	2.3
107.04940	4.0
107.07327	1.2
107.08599	0.5
108.08112	7.6
109.08929	0.7
110.09672	22.9
118.06549	0.9
119.08547	0.6
119.16727	0.5
120.04471	1.2
120.08100	52.3
121.06513	1.3
121.08915	7.0
122.02402	0.7
122.09636	1.6
123.06810	0.8
124.07597	6.6
130.06555	0.6
131.07295	1.8
132.08099	0.8
133.10127	0.8
136.07553	1.6
138.09131	100.0
139.09445	1.6
146.09630	3.5
148.03920	5.7
148.07538	5.2
149.08336	1.6
150.09169	1.0
152.07042	2.2
152.08124	0.4
154.04922	0.5
166.08636	7.5
174.09114	4.0
180.06543	4.0
191.02406	1.6
192.10234	1.3
194.09673	0.5
197.07071	1.4
197.10823	0.7
198.09306	0.7
199.08746	0.7
208.06020	3.9
211.08659	3.1
212.09106	0.8
213.10229	1.3
220.09721	1.0
222.09140	0.7
224.09410	0.6
225.06548	3.0
225.10193	4.1
225.14870	0.7
225.99411	1.4
227.08192	1.0
227.11882	0.6
229.09755	0.9
235.08557	0.7
236.99126	0.9
237.10254	0.6
239.08134	6.2
239.11806	1.2
240.08633	2.6
241.09709	0.9
243.07654	0.8
244.00380	1.6
245.12804	3.4
252.08974	0.8
253.09666	6.3
254.10246	0.8
255.00183	0.8
255.07768	0.7
255.11177	0.8
257.05524	0.6
257.09222	1.8
257.12918	1.0
259.09641	1.1
264.15985	2.1
267.07648	3.0
267.11246	3.6
269.09219	0.6
271.10840	2.2
273.08591	0.6
281.09235	7.2
281.18625	1.3
283.10495	0.6
285.08664	1.5
285.12338	3.0
289.11911	0.9
293.09055	0.6
295.10376	0.5
299.06964	0.6
299.10281	6.1
299.13870	1.9
303.09689	0.6
309.08676	8.5
311.05353	1.2
311.10199	1.8
317.11517	1.0
317.15030	1.7
327.09750	9.9
327.13300	0.9
329.11423	1.3
331.16531	1.3
337.08130	1.0
345.10800	14.0
345.14102	0.6
346.11020	0.9
355.09296	5.7
359.15991	20.9
360.16440	0.7
373.10257	15.8
374.10504	1.1
377.17038	9.8
387.11298	0.9
387.15488	3.4
405.12286	1.9
405.17319	4.0
405.22137	0.7
405.23822	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.3
56.96567	0.7
57.02689	0.9
70.06594	3.8
71.60334	1.1
72.08158	0.9
79.05488	1.2
81.07053	0.9
84.08140	1.3
86.09708	2.1
94.06526	0.7
95.08632	1.1
95.52209	0.7
96.04462	0.8
96.29504	0.8
97.06508	2.3
107.04939	3.5
108.08112	2.1
110.09662	0.9
117.05434	0.9
120.08099	2.5
124.07548	1.4
136.07564	1.1
137.05943	1.1
138.09103	3.1
141.21158	0.8
161.10736	0.9
163.03981	1.2
170.06010	1.1
172.07593	0.9
173.02415	1.0
182.08278	0.9
183.09172	2.2
184.07622	1.2
185.10654	1.1
189.10204	2.7
197.07057	11.7
197.10739	1.8
198.07765	2.4
198.09288	1.6
199.08655	3.2
202.08659	1.1
209.10814	0.9
210.07779	1.9
211.08658	14.2
212.09416	2.6
213.10194	2.1
216.10251	1.1
224.09445	0.8
225.06590	19.5
225.10123	12.1
226.07169	2.4
226.08958	1.3
227.08142	4.1
227.11778	2.6
229.05997	1.2
229.09753	2.1
233.08040	0.9
237.10251	1.2
239.04463	3.3
239.08128	33.3
240.08867	3.2
241.09651	2.2
243.07526	4.2
245.12834	25.0
246.12825	1.2
253.06108	2.4
253.09700	19.3
254.10355	1.7
255.07645	4.5
255.11288	3.3
257.05634	5.2
257.09180	11.7
259.09909	1.2
263.08148	2.1
264.15912	1.5
267.04730	1.0
267.07614	18.3
268.08130	1.4
269.09149	1.2
271.07532	1.7
271.10745	11.6
273.08701	2.0
275.10251	1.0
281.05933	1.0
281.09171	17.8
283.10776	3.3
285.08600	8.1
286.09433	1.3
289.11798	5.8
293.09274	3.7
297.08606	1.7
299.06744	2.7
299.10217	36.2
300.10730	1.3
301.11768	2.3
309.08679	27.1
311.05466	0.9
311.06699	0.9
311.10254	7.3
313.07971	1.2
317.11307	3.1
327.09726	56.6
328.10065	3.0
329.11270	10.4
337.08154	3.0
345.10791	88.5
346.11078	3.5
355.09213	11.1
369.10876	1.3
373.10263	100.0
374.10767	3.8
387.11722	5.5
392.26205	0.8
405.12823	13.4
405.17871	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04634	0.4
55.01854	1.5
55.05499	1.3
55.93518	2.4
56.51864	0.4
56.94298	4.0
56.96536	1.3
57.03439	0.7
57.07065	0.6
61.02932	0.5
65.03943	0.4
67.05501	1.4
68.94291	1.0
68.99763	0.5
69.03427	3.6
69.07050	1.8
69.57534	3.6
70.06574	2.0
70.95861	4.4
71.04964	0.6
71.92999	1.2
72.08134	0.9
72.93780	19.4
72.94188	1.0
74.95334	1.4
77.36178	0.4
79.05471	1.5
81.03410	3.9
81.07037	1.3
83.01316	1.0
83.04989	0.5
83.08613	0.7
84.08150	0.8
85.02900	3.0
85.10178	0.5
86.09700	1.5
86.41096	0.4
88.96878	2.3
89.94037	0.7
90.94819	17.0
91.05475	1.1
93.07021	1.5
95.04954	1.0
95.06076	0.5
95.08578	0.6
95.29789	0.4
95.50069	0.4
96.08100	0.7
97.02881	2.0
97.06536	2.6
98.20680	0.8
98.97569	0.7
99.04436	0.7
102.94786	1.3
104.96364	1.5
105.07000	1.0
106.97938	0.8
107.04937	3.9
107.08556	0.7
107.95066	0.6
108.08105	0.7
108.95862	7.0
109.02860	3.1
111.00803	0.9
112.08708	0.4
113.96364	1.2
114.94782	1.0
116.04956	0.7
116.10736	1.3
116.96342	1.8
116.98632	0.8
118.94276	1.3
120.08095	1.6
120.95786	0.9
121.02864	4.9
121.10087	0.5
122.97359	0.7
124.95294	0.5
125.96111	0.7
126.94783	0.6
127.03915	2.1
128.96347	6.6
129.06955	0.5
130.97894	1.6
131.97447	0.9
132.95819	31.2
134.97383	2.2
134.99608	1.0
135.04404	0.6
136.07529	0.9
136.95338	2.2
137.05963	0.8
138.09103	2.4
139.12318	0.7
140.96329	2.5
144.04437	0.7
144.07979	0.6
144.95821	13.4
144.99419	0.6
146.96246	0.8
146.97366	6.6
148.95378	0.6
148.98956	1.9
150.96883	25.2
151.03937	0.5
152.96356	1.1
155.97386	2.4
156.95782	3.1
158.97386	39.5
160.95325	1.0
160.98898	0.6
162.05464	1.1
162.96873	16.7
163.03900	2.0
164.98529	0.6
167.97363	0.8
168.95819	12.3
170.97424	4.2
172.03951	3.2
172.95309	1.0
173.02325	1.0
173.05859	0.5
174.96881	12.1
175.04135	1.3
176.98438	24.6
177.01785	0.8
181.04990	0.7
181.99004	2.0
183.04402	1.0
186.96878	21.7
188.37909	0.5
188.98457	3.7
190.96359	0.9
191.03516	0.8
192.97920	4.7
193.05203	1.4
195.02875	2.8
195.11295	1.9
196.11502	0.6
198.96893	10.3
200.00130	0.7
200.94841	3.1
200.98402	0.9
204.06522	5.1
204.97925	8.1
209.98543	1.3
212.00041	1.0
215.07001	0.8
215.99603	0.6
216.97920	29.0
217.05179	2.2
218.95830	2.3
218.99374	2.4
219.06752	0.5
224.10249	1.1
227.99582	0.6
229.05148	0.9
234.98976	100.0
235.99303	1.8
237.02855	0.5
239.08186	0.5
239.99577	2.1
242.95737	0.8
243.06891	1.3
247.06232	0.6
253.00061	17.8
253.05208	1.9
258.00577	10.7
258.03137	0.9
259.06265	5.7
259.09665	3.5
260.96887	2.5
271.06226	6.5
283.06415	0.5
301.07303	4.2
302.98032	1.1
311.05469	21.9
317.06888	0.5
319.08353	42.7
320.08783	0.9
321.12231	1.3
337.09402	24.5
359.15988	0.7
360.10953	4.3
363.13260	1.1
373.14001	1.3
387.15082	0.8
405.09009	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	404.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	38.7
62.19418	14.6
66.22572	14.4
67.05489	45.6
69.07071	19.1
70.10184	60.0
71.08616	29.0
79.05486	31.9
81.07050	59.6
91.05482	33.3
93.07029	29.5
93.77114	14.1
95.08593	21.6
97.10167	37.4
98.86566	14.8
105.07026	31.8
107.08594	26.3
109.10181	20.3
125.09595	40.3
131.08554	19.0
133.10178	20.7
146.10635	14.2
189.11211	20.7
227.12863	28.2
277.21588	24.1
286.20178	22.8
351.25272	17.2
376.53040	14.4
404.25278	20.7
404.29895	18.4
405.22433	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	71.5
56.95052	17.1
56.97279	17.1
62.10337	18.2
64.00794	16.9
67.05492	86.1
69.07083	22.5
69.35933	16.0
69.59440	39.0
69.59855	95.3
71.08610	28.6
76.64559	14.3
79.05479	69.6
81.07044	100.0
83.08601	28.5
91.05467	66.3
93.07034	75.2
95.08601	77.9
98.20842	36.4
99.08086	23.7
105.07043	23.6
107.08582	50.4
116.06082	14.9
117.07014	24.1
119.08563	17.6
121.10117	22.2
123.11729	16.6
125.09643	21.5
130.79234	18.4
131.08548	30.8
133.10078	24.1
135.11749	22.6
140.14290	16.6
143.08484	18.0
146.78555	17.7
149.13293	18.4
151.11214	24.5
159.11687	22.0
163.11182	17.7
167.29778	17.8
173.11763	21.1
177.12749	17.2
189.11200	26.7
227.12758	29.7
245.13829	25.5
256.91064	18.6
269.17471	67.9
278.87021	16.6
285.47824	16.2
286.20200	34.2
351.25162	24.5
370.94958	18.9
385.76321	18.8
405.22385	53.3
405.31384	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	404.2792
Annotation	Aconasutine
Peak:m/z	Relative Intensity
51.69833	0.4
55.05508	1.9
56.96566	0.9
57.03435	0.9
57.07065	0.4
61.02927	0.5
67.05495	1.2
69.03426	0.7
69.06755	0.4
69.07059	4.0
70.04062	0.7
70.06577	0.8
70.12379	1.7
71.04987	0.7
73.06539	1.6
79.05486	2.0
81.03410	0.7
81.07047	1.6
83.08602	0.5
84.08137	0.5
85.02893	0.6
86.32948	0.4
87.04444	1.2
91.05465	1.7
93.07025	1.8
95.04971	1.1
95.06107	0.6
95.08613	0.6
97.02861	0.6
97.06499	0.4
98.98466	0.5
105.07037	0.8
106.06543	4.4
107.04942	3.1
107.07291	0.7
107.08574	0.7
108.08128	0.4
113.00008	0.5
115.34293	0.4
117.05709	1.2
117.07024	0.5
118.06537	9.0
119.08600	0.4
120.08106	0.5
121.06464	0.6
125.01577	0.5
130.06502	1.6
130.07382	0.4
131.07309	5.3
131.08464	0.7
132.08075	4.3
132.08908	0.6
133.08865	1.5
134.09639	1.8
144.08052	0.8
146.09648	6.9
155.01060	0.6
158.09619	0.6
160.11217	7.1
161.11966	0.6
162.12746	0.5
162.96942	0.5
172.11230	1.0
174.03925	0.6
174.12801	1.3
184.07318	0.5
186.12680	0.4
188.14281	0.5
194.93533	1.0
195.93829	0.5
196.93141	6.7
199.57253	0.4
202.15875	0.7
217.95282	0.4
232.16519	0.4
244.20599	8.2
246.14980	0.6
254.91895	2.4
260.16425	0.9
272.20065	45.1
273.20438	1.1
283.06079	0.4
290.21112	10.3
295.12280	0.5
300.23151	1.2
315.19495	0.4
318.24399	0.7
321.11237	0.4
330.20486	1.0
358.27536	0.8
363.07996	0.4
363.12656	1.5
385.61588	0.4
386.26862	40.0
387.27118	1.7
404.27936	100.0
405.22418	1.0
405.28207	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	404.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.8
55.01854	3.4
55.05497	6.8
56.05001	3.5
56.96555	2.5
57.03434	5.3
59.04986	5.6
60.05614	2.6
61.02896	6.5
62.01963	2.4
67.05489	16.2
69.03431	22.4
69.07069	14.5
70.06584	21.1
70.28107	9.5
71.04975	7.2
71.72980	2.3
72.08147	5.5
73.02901	3.7
79.05470	11.3
81.03403	8.0
81.07053	22.6
83.04970	9.7
83.08612	5.1
84.04485	8.4
84.08144	12.9
85.02902	35.7
85.07656	2.6
85.62330	2.2
86.06064	7.6
86.09681	9.6
87.04447	17.8
87.76048	2.2
91.03943	3.9
91.05486	12.1
93.07028	33.0
95.04957	6.4
95.06070	3.4
95.08607	13.6
96.08115	3.2
97.02882	10.8
97.06493	7.4
97.10163	3.4
98.06000	4.4
101.05996	6.4
103.05492	2.7
104.07100	6.3
105.07024	22.3
107.04948	31.0
107.08582	32.7
108.05197	2.5
108.08079	3.2
109.02887	4.6
109.06541	2.8
109.10154	5.1
110.06015	11.5
110.07115	4.9
111.08067	5.8
112.07592	11.7
113.05972	3.4
117.06963	3.7
119.08572	16.4
120.08095	4.4
121.06486	5.2
121.10122	8.5
122.06059	2.5
123.08057	5.1
123.11644	3.8
124.07549	6.5
127.03885	8.7
129.10185	4.2
130.05002	2.4
130.08612	9.5
131.08540	5.4
133.06477	3.4
133.10095	11.7
137.06030	2.9
137.09604	6.8
138.05460	20.3
139.11201	3.7
145.04930	9.7
147.08026	4.7
147.11674	14.5
151.07518	3.0
151.11180	32.0
156.06554	9.2
156.09268	4.6
157.09842	2.2
159.11690	5.7
161.06049	3.2
161.09538	3.3
161.13300	17.6
171.11618	5.2
177.12740	15.3
179.14355	3.0
189.12766	33.2
193.68199	2.4
202.07063	5.2
207.13782	100.0
208.14024	2.9
211.08667	3.1
217.91992	2.4
225.06760	3.3
225.14828	74.0
226.15186	4.0
236.12848	4.4
239.08182	4.6
245.12827	7.9
253.09578	4.1
259.09503	2.6
267.07541	3.8
271.10895	4.2
275.14514	2.4
281.09259	4.8
285.08591	2.7
298.17078	3.4
298.20160	24.6
299.10172	6.6
309.08749	11.0
311.05466	6.6
316.20975	2.6
327.09833	11.2
343.18607	9.7
345.10736	21.6
350.70697	8.9
351.15619	4.5
351.21155	3.0
355.09167	4.8
369.16846	11.8
369.20438	2.7
373.10324	20.0
386.21872	27.0
404.18558	3.0
404.22726	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	404.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05139	0.6
56.50510	0.6
56.96565	15.9
69.95145	0.6
70.00408	3.3
70.71738	0.7
71.95245	1.4
79.05487	0.7
91.05464	1.5
93.07027	0.7
94.04160	1.3
95.08602	0.8
98.97576	39.2
116.98618	55.1
118.99002	0.8
122.03648	5.4
134.99657	56.9
135.10059	0.7
137.05974	42.0
140.00232	3.7
140.01160	0.7
153.00716	12.5
158.01276	5.2
165.38377	0.6
176.02313	1.8
176.07117	1.5
179.00201	0.9
183.49532	0.6
197.01207	2.8
198.02023	1.6
199.02806	0.6
208.10219	0.7
211.02788	1.0
215.02216	1.5
220.00471	1.4
226.11115	14.0
235.02759	40.3
238.01454	2.8
242.10622	1.4
244.12228	11.2
249.12769	0.9
253.03833	100.0
254.04103	2.0
268.12277	4.1
271.04892	8.0
276.05466	15.1
280.12238	2.3
286.13181	1.4
298.13211	0.9
329.12961	1.7
338.15390	0.6
344.15308	6.5
362.16431	2.8
404.17426	58.6
405.17755	1.7
405.22498	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	404.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40908	1.7
55.01858	2.2
55.58639	1.8
56.05045	1.9
57.03424	7.6
61.02933	2.8
69.03422	12.0
70.06592	19.9
70.70831	2.6
70.71180	3.6
72.08144	5.1
73.02885	2.3
75.04475	1.7
79.05459	3.4
81.03422	4.6
84.04496	3.8
84.08138	10.8
85.02433	2.7
85.02903	27.7
86.09718	10.7
88.02224	1.7
88.04002	1.8
89.29704	2.1
97.02887	6.3
103.05489	2.8
105.07025	21.2
107.04944	5.3
109.02852	3.0
110.07177	3.4
120.08108	2.5
126.10987	1.6
127.03926	7.4
128.06233	2.4
129.10252	5.7
131.04852	2.1
133.06491	100.0
136.07544	2.2
140.29497	1.7
145.04897	2.5
145.06470	7.1
147.42337	1.8
159.91447	1.8
171.08032	11.4
183.98941	1.9
184.07391	4.7
207.10158	15.4
332.00647	1.7
405.16943	4.9
421.82214	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.6
55.01843	2.2
55.05507	3.7
55.93513	7.1
56.94292	3.1
56.96551	6.0
57.03422	5.5
57.07048	4.3
61.02897	4.9
67.05491	6.9
69.03417	3.3
69.07054	17.5
70.06583	3.0
70.95854	4.7
71.59354	3.1
71.59734	2.6
72.08141	2.5
72.93788	16.0
73.02905	2.7
79.05480	10.2
81.03416	3.8
81.07043	10.6
83.04956	2.3
83.08630	2.7
85.02896	4.1
88.96918	2.8
90.94812	12.4
91.03951	2.4
91.05475	41.3
93.07032	10.7
95.08612	6.6
97.02888	4.2
105.07033	15.1
107.04944	5.4
107.08575	5.3
108.95858	4.2
109.06537	4.4
109.10160	3.5
115.05445	3.3
116.98685	3.2
117.06976	5.3
119.08568	6.0
121.02885	4.1
121.06500	16.3
128.96329	3.0
129.06987	2.9
130.97949	3.0
131.08546	4.8
133.10172	3.8
143.08533	5.9
145.06526	2.8
145.10115	4.2
147.11613	3.1
160.08691	8.2
162.95393	3.2
163.07297	4.4
184.98930	3.7
192.99486	4.8
193.03156	3.9
195.01018	3.9
197.07260	4.9
207.01024	4.5
209.02570	3.0
213.01936	3.1
213.03741	4.6
220.99036	2.6
221.02509	4.5
233.03075	3.7
235.00485	5.3
235.04152	4.8
238.04248	3.2
241.06779	4.3
242.95947	2.5
245.04704	4.4
247.04388	3.1
249.02060	5.1
261.02039	3.8
265.06818	4.3
269.09766	4.1
277.06662	8.7
279.08362	8.6
285.07733	4.6
287.06992	4.5
293.06326	3.6
295.07739	4.8
297.09305	11.0
299.10925	6.8
327.10388	13.9
343.09967	14.3
345.11441	100.0
349.16647	3.7
363.12332	23.2
368.12534	3.0
386.13968	10.9
404.28040	11.2
405.14282	7.1
425.54501	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	404.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	1.0
53.03942	0.4
55.05505	3.3
56.41542	0.4
57.07073	28.9
58.06595	0.4
63.50378	0.3
67.05499	1.7
69.07064	100.0
70.06591	0.7
70.07443	0.5
70.07844	7.7
71.59610	0.6
81.07068	0.4
85.06532	0.6
86.09703	0.5
87.00018	0.5
87.08115	0.4
89.06033	0.5
91.05467	1.2
93.07030	0.6
94.04187	1.0
95.04969	0.8
99.00005	5.0
103.03126	1.1
105.04539	0.4
105.07014	0.4
111.04439	1.3
113.01559	2.5
115.07559	24.5
119.04970	0.4
119.08533	0.6
126.99460	10.8
129.01027	15.9
138.14999	0.4
139.00558	1.5
141.01015	21.2
147.08075	0.3
155.02576	8.6
161.09589	1.1
168.02203	0.4
175.07484	0.3
190.09821	0.5
197.07277	82.2
198.07654	0.6
225.06729	4.4
243.07860	0.4
297.15289	0.4
376.14389	2.3
392.83850	0.4
404.13623	2.6
404.33774	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	404.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62614	1.6
55.01880	1.9
56.05025	2.0
56.91934	2.0
58.99589	19.1
67.05524	1.8
69.07063	5.4
69.61064	10.8
74.28417	1.5
76.02228	100.0
76.04025	3.6
79.05492	9.4
84.04504	36.4
86.09679	1.8
86.99035	4.2
88.02266	2.4
97.06530	96.1
116.01679	26.2
130.05009	25.1
142.03236	9.8
144.01149	15.2
162.02205	50.7
170.02690	3.4
179.04851	80.3
211.38120	1.8
215.04874	3.2
226.10751	2.0
228.38249	1.6
233.05905	27.3
245.05827	5.4
291.06485	3.9
308.09100	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.3
56.05033	1.9
56.96568	0.6
58.06600	0.7
60.04515	1.8
67.05492	1.3
68.05035	0.9
69.03430	0.8
69.07079	3.5
70.02939	0.7
70.06596	18.1
71.06950	0.7
71.57732	1.1
72.08169	5.6
74.06079	2.0
75.05597	4.7
79.05502	1.1
81.03465	0.7
83.06107	1.7
84.04509	4.7
84.08145	8.5
86.09708	100.0
87.05582	1.0
87.10046	1.6
91.05491	1.7
93.07040	0.6
95.04967	0.8
95.06113	0.7
95.08609	0.8
98.06071	0.7
102.05544	1.8
103.05450	0.9
104.07096	1.5
105.07079	0.8
107.04962	6.8
108.05242	0.7
110.07156	3.4
112.08702	0.7
115.08677	0.8
116.07102	1.3
120.06593	1.7
120.08102	5.5
125.00002	0.9
129.06625	0.7
129.10234	4.6
130.05020	2.9
130.06500	0.8
131.04924	1.1
132.06590	0.6
132.08069	0.7
133.06476	1.2
136.07649	1.3
141.10176	0.7
143.11803	23.9
146.11742	0.7
156.07594	0.7
157.06471	0.8
171.11313	13.6
172.02254	0.6
173.12804	0.8
175.11975	0.7
184.07373	2.0
203.13976	1.1
213.50354	0.6
215.13907	7.5
218.39009	0.6
233.15002	12.0
239.17564	1.3
284.19635	2.4
385.24484	1.5
403.16348	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	403.2476
Annotation	Macrolactin K
Peak:m/z	Relative Intensity
53.03923	3.0
55.01861	8.9
55.05505	35.1
56.96518	0.9
57.03412	2.2
60.26904	1.0
65.03946	1.1
67.05499	25.7
69.03430	4.7
69.07063	9.7
70.06561	2.4
71.04977	2.9
71.59606	1.3
72.08135	1.1
79.05487	33.2
81.03402	4.9
81.07050	28.3
83.04965	4.7
83.08614	15.1
84.08102	1.0
84.08974	1.0
84.13313	0.9
85.02882	1.6
85.06531	2.0
86.06046	2.1
86.09709	1.2
87.04446	2.2
91.04958	1.6
91.05475	20.6
93.07034	16.4
95.04961	11.8
95.06080	0.9
95.08598	12.0
97.06512	10.2
97.10166	26.4
102.00690	1.0
103.05439	2.3
105.07026	18.5
107.04272	1.8
107.04948	20.1
107.08585	19.9
109.02869	1.4
109.06532	6.5
109.10146	7.2
111.04440	1.1
111.08080	3.5
112.07566	1.5
113.05974	2.4
114.08813	1.0
115.05446	1.9
115.51163	1.0
116.06268	1.1
116.07058	1.2
117.07001	12.0
119.04893	1.4
119.08559	10.5
120.08095	1.3
121.06493	11.6
121.10120	4.9
123.04430	1.7
123.08045	5.0
125.05946	2.3
125.09611	17.3
128.06216	2.6
129.07004	10.0
130.06592	1.1
131.04897	3.7
131.08559	10.4
133.06511	6.6
133.10112	6.4
135.08041	5.7
135.11668	3.6
136.07483	1.0
137.05923	1.9
137.09583	1.8
139.07494	1.3
141.06943	5.0
142.07703	1.0
143.08537	7.8
143.10573	1.1
144.05666	1.9
145.06476	19.8
145.10115	6.8
147.04382	2.1
147.08051	9.1
147.11710	6.6
148.07494	1.9
149.05901	1.9
149.09589	3.7
151.07472	1.1
153.09068	4.2
153.12741	7.2
155.08548	4.6
157.06464	4.5
157.10109	5.4
159.08029	5.7
159.11613	4.3
161.05980	3.1
161.09570	2.7
163.11142	3.6
165.09096	1.2
165.12704	2.3
167.08521	3.1
169.06364	1.9
169.10080	5.2
171.08060	6.1
171.10295	1.3
171.11671	5.2
173.09595	3.0
173.13162	1.3
175.07477	1.5
175.11174	4.0
177.12700	3.2
179.08502	2.3
180.10391	1.1
181.10091	2.8
181.12210	1.4
182.04495	2.2
183.07999	1.7
183.11548	2.7
185.09610	1.9
185.13258	2.3
187.11104	2.7
189.09419	1.5
189.11162	8.7
189.12709	2.2
193.12216	9.2
195.08051	1.5
195.11732	4.3
195.13757	1.7
197.09540	1.7
197.13194	3.8
199.11165	2.9
203.10693	1.0
205.10420	1.2
205.12222	4.2
209.13211	2.5
211.11116	3.0
211.13258	3.8
212.10143	1.0
213.12743	3.1
215.14279	4.0
215.78384	1.0
217.12155	2.2
217.15936	1.1
219.13857	1.3
221.11536	1.5
221.15303	1.4
223.11319	1.5
223.13274	4.0
225.12767	3.9
227.14374	2.1
231.13799	2.0
233.15321	7.8
235.11098	1.5
237.12694	4.2
241.12115	1.3
241.14316	6.8
243.13704	2.1
245.15292	1.5
249.14853	1.8
255.13736	4.6
257.15475	2.0
259.13239	3.2
273.14795	15.9
275.16479	2.8
281.15298	1.6
283.06873	1.4
287.16367	2.4
299.16489	1.3
321.21814	2.1
331.20593	1.6
339.19608	1.1
339.23264	6.7
349.21591	20.7
353.07874	2.3
357.10974	1.2
357.24191	8.3
367.22635	55.3
368.22855	2.4
371.12207	2.2
385.23691	100.0
386.24063	5.2
403.11304	2.1
403.24722	51.6
403.39191	1.1
404.25287	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	403.2009
Annotation	Aurantiamide
Peak:m/z	Relative Intensity
51.02378	0.6
53.03936	1.6
55.05498	1.1
56.96563	1.4
57.07066	0.9
65.03947	0.9
67.05511	1.3
69.03385	0.5
69.07054	1.8
69.39243	0.6
69.52934	4.1
70.06605	0.6
77.03930	1.1
79.05485	2.2
81.03408	1.1
81.07039	1.5
83.08599	0.8
83.19759	0.6
85.02900	0.6
91.05475	44.9
92.05794	1.4
93.07035	1.5
95.04961	5.6
95.08598	1.2
97.02869	0.6
97.06508	0.8
105.03382	100.0
105.07012	3.1
106.03730	0.7
107.04947	2.5
107.08598	0.8
109.10072	0.8
116.05312	0.8
117.07008	29.0
119.08582	1.1
120.08041	0.6
121.10172	0.6
129.06927	0.9
131.04881	0.6
131.08528	0.6
133.10240	0.7
134.09630	4.8
142.06818	0.8
143.08551	0.7
149.05913	0.6
152.10696	41.2
157.62608	0.6
160.08656	1.2
161.13274	0.6
162.09209	1.1
167.02263	0.6
215.75061	0.5
216.17482	0.9
224.10690	25.0
233.18221	0.6
245.09459	0.6
252.10286	2.6
269.10507	0.6
275.10626	0.7
284.46036	0.5
289.98492	0.7
316.37628	0.6
334.12027	1.2
367.22687	0.7
375.11240	0.7
385.19086	17.2
385.23676	1.2
386.19263	1.2
403.20233	2.5
403.24896	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2477
Annotation	Macrolactin K
Peak:m/z	Relative Intensity
55.05506	5.1
55.39104	0.8
57.03409	1.3
57.07055	2.2
61.02925	1.4
67.05492	5.1
68.73279	1.0
68.94946	0.9
69.07072	8.0
70.78399	2.5
79.05489	5.0
81.07053	4.7
83.04972	2.3
83.08635	1.1
91.05468	4.6
93.07030	4.1
95.04966	2.3
95.08607	4.6
96.04328	0.9
97.06544	1.5
105.07015	5.3
107.04951	100.0
107.08595	2.6
108.05258	2.1
109.06472	1.4
109.10165	2.0
117.06992	1.6
119.08545	3.0
121.02857	1.6
121.06506	4.2
121.10126	3.2
123.08087	1.3
123.11646	1.2
123.25649	0.9
126.30531	1.1
127.03887	1.0
129.01845	1.1
129.06931	1.1
131.08542	1.5
131.48329	0.8
133.06497	3.0
133.10124	2.3
135.08054	1.5
135.11708	0.9
137.05934	1.4
143.08542	1.3
145.06427	2.3
145.10106	2.1
147.08032	2.9
147.11646	1.1
151.11261	1.1
158.07246	1.1
159.08020	1.6
161.09654	1.7
171.07974	1.2
173.09610	2.5
177.12762	1.0
185.09583	1.9
197.07236	2.2
201.09088	1.4
209.09576	2.4
211.11360	1.2
217.08618	2.1
223.11168	2.4
227.10597	2.2
245.18935	1.6
262.15820	1.0
263.19800	1.0
273.18381	1.2
275.04196	0.9
279.19586	1.8
321.22281	1.2
339.23450	4.7
349.21445	1.5
357.24216	11.2
359.13611	1.0
364.85275	0.9
367.22659	17.2
375.16782	2.0
385.23727	33.1
386.24054	3.0
398.18445	8.4
403.24802	4.9
404.17621	1.1
409.90659	0.9
420.02899	0.9
421.20132	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	0.3
53.03935	0.4
55.01869	0.5
56.05026	0.6
65.03933	1.4
67.05502	1.6
69.76230	1.3
77.03934	0.3
81.03409	0.3
83.06097	7.1
84.04498	9.3
85.02891	0.5
86.09694	0.5
93.03403	0.2
95.01314	0.3
95.04971	1.9
101.07137	7.0
102.05525	0.4
105.04430	0.3
106.39227	0.2
107.04946	41.2
108.02094	2.4
108.05289	0.4
109.02847	0.7
111.04411	0.9
124.07582	0.4
127.03846	0.2
129.06592	20.5
130.04016	0.5
130.04996	7.7
130.07018	0.3
136.01559	0.5
140.67876	0.2
141.05461	4.8
147.07625	2.5
151.03896	100.0
151.04973	6.7
152.04245	1.0
156.88739	0.2
157.05876	0.2
159.80846	0.2
168.06541	1.5
171.92622	0.2
189.10187	0.2
190.08621	3.0
207.11279	6.7
219.66321	0.3
235.10747	7.9
236.09038	0.3
253.11827	6.2
279.09784	0.4
280.08118	0.4
284.51617	0.3
297.10788	4.2
385.13910	0.5
403.14832	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	7.0
60.05640	8.6
67.05479	8.5
69.03407	14.4
69.90814	32.9
70.06583	30.2
72.08139	20.7
81.94493	7.5
83.04978	12.1
84.08125	9.9
85.02908	7.3
86.09698	30.8
91.05463	23.4
93.07044	52.8
95.04994	16.6
98.20793	10.3
102.23904	7.9
102.28305	7.4
105.07013	8.7
107.04948	100.0
109.06519	6.7
110.07150	12.4
121.06501	83.7
149.09616	7.9
159.11696	8.6
175.11942	14.9
205.12242	48.8
207.06519	25.1
223.13315	16.9
403.15338	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	403.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.05261	1.1
55.05505	12.3
55.93509	3.1
56.94289	2.6
56.96553	6.2
67.05473	2.8
69.03401	4.7
69.07030	1.9
69.38872	1.0
69.76964	0.9
70.06572	3.8
70.95852	7.1
71.04960	2.2
71.59814	1.5
71.93001	1.6
72.08122	3.6
72.93777	17.0
73.06542	1.4
74.95336	1.0
79.05470	1.8
80.63547	0.9
81.03416	5.5
81.07048	6.7
83.08613	7.8
83.94231	0.9
84.08125	2.5
85.02880	4.5
86.09686	2.2
87.04446	3.9
88.96866	3.2
89.05475	1.4
89.06023	25.9
90.06345	2.0
90.94265	1.7
90.94811	16.1
91.05442	2.7
93.07001	1.2
95.08566	1.2
95.12401	1.1
97.02863	1.9
98.97559	2.4
100.59540	1.0
100.99136	1.7
102.94792	1.2
105.06995	1.3
107.04942	8.1
108.05255	1.2
108.95820	4.1
109.02838	3.6
109.54346	1.0
110.07211	0.9
112.07617	1.2
113.96387	1.1
114.38466	1.0
114.94778	1.3
116.96354	1.1
116.98592	2.0
118.94280	2.0
119.00150	3.2
121.02827	1.3
128.96315	3.7
130.97919	1.1
132.95828	28.0
133.08591	7.6
134.97389	1.3
135.31522	1.0
136.95297	2.1
137.01212	2.7
139.05113	1.5
140.96280	2.6
144.07671	2.2
144.95808	12.8
146.97365	5.2
146.99716	1.2
148.98935	2.3
150.96860	23.5
152.96275	1.5
155.97429	1.5
156.95834	1.5
158.97380	49.7
160.95264	1.1
160.98973	1.1
161.06439	1.6
162.96895	11.3
163.02773	7.1
166.08966	1.7
168.94742	1.1
168.95853	9.1
170.97321	4.9
172.99051	1.6
173.02596	5.4
174.07274	2.8
174.96887	9.8
176.98444	27.2
177.11205	4.0
178.96368	2.6
181.03783	3.3
181.99002	2.3
183.07834	1.4
186.96875	12.1
188.10353	1.6
188.98416	3.8
191.03546	1.4
192.97916	3.2
196.08401	1.4
197.02542	6.6
198.96848	11.3
200.98442	11.4
204.97862	5.4
207.05309	9.0
209.02469	2.8
215.03636	23.6
216.97913	28.7
218.99504	5.3
227.03644	6.0
229.05087	1.5
233.04637	1.9
233.06952	3.6
234.98967	100.0
237.02637	1.5
239.99483	1.9
240.11037	1.6
251.03598	2.7
251.07947	4.9
253.00006	15.6
257.04663	27.2
258.00607	5.7
258.98950	3.4
259.08664	1.8
262.12650	1.2
269.04684	3.8
277.00000	13.3
277.09552	5.2
287.05609	1.6
299.05594	5.9
317.06787	99.5
318.06937	2.5
335.07837	2.3
359.07788	10.2
359.16727	6.5
381.19470	2.2
398.52496	1.3
403.15573	9.3
403.20734	56.9
403.66248	1.8
403.71030	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	402.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
54.18170	0.3
55.05504	2.8
57.07058	0.8
62.67878	0.4
64.39311	0.3
67.05493	1.6
69.07060	2.7
70.04328	1.1
70.04739	0.6
71.28768	0.3
74.07682	0.3
74.37350	0.3
77.03933	0.4
79.05485	1.1
81.07048	2.0
83.08615	2.1
85.10152	0.3
88.26146	0.3
91.05471	4.8
93.07033	9.8
95.04964	1.8
95.08578	2.1
97.06485	0.5
97.10157	1.2
103.05459	5.0
107.08549	0.5
109.10140	1.0
115.67672	0.4
121.06490	100.0
121.10120	0.9
122.06814	0.6
135.11685	1.3
138.09126	29.7
164.07138	0.4
218.05914	0.4
220.13391	0.4
247.24115	0.4
265.25171	0.4
341.54797	0.4
402.33649	34.0
402.38712	1.1
403.11194	0.4
403.34058	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60881	32.1
56.96548	50.0
67.05492	90.1
69.07082	33.8
70.06582	57.2
71.59445	54.3
79.05511	49.0
81.07047	100.0
91.05478	44.0
93.07049	66.1
93.13763	34.7
95.08603	62.1
96.64323	32.6
102.85854	37.8
105.07022	54.1
107.08613	66.8
109.06499	40.9
109.10078	39.5
112.69397	36.6
171.10159	40.7
391.77698	37.1
411.74664	34.7
419.01248	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01867	1.7
55.05503	7.7
56.05037	0.8
56.71132	0.7
56.96553	1.4
57.03423	2.1
57.06678	0.7
57.07053	1.2
57.32572	0.6
60.56919	0.7
61.02919	0.9
62.46632	0.7
67.05498	8.3
69.03410	1.3
69.07060	9.8
70.02857	3.2
70.06567	0.7
79.05484	8.1
80.05008	3.1
81.03394	1.4
81.07050	8.8
83.04933	1.2
83.08605	3.0
85.02885	1.7
87.04469	1.9
91.05471	12.6
93.07026	5.8
95.04951	3.6
95.08585	2.9
97.06458	1.5
97.10162	4.0
105.07020	4.6
107.04944	100.0
107.08591	4.4
108.05267	1.6
109.02866	1.0
109.10133	3.0
109.91671	0.9
117.07016	1.7
119.08531	3.7
121.06482	1.1
121.10131	2.4
123.11668	0.9
125.09636	2.6
129.06979	1.0
131.08577	3.2
133.10135	2.3
135.11713	1.3
136.07550	2.8
138.12692	0.7
143.08522	1.8
145.06519	0.7
145.10150	2.3
147.11685	1.2
148.07565	16.9
149.09642	1.8
149.13206	1.2
157.06500	1.1
159.11671	2.1
160.08710	1.8
160.95564	1.2
161.13274	1.0
166.08627	2.3
171.10216	1.2
171.11617	0.9
173.11838	0.8
173.13261	1.0
177.12726	0.9
177.55244	0.7
189.11203	3.2
194.15619	0.8
209.52014	0.9
217.07486	1.0
227.12770	1.8
229.07439	1.1
229.14343	2.1
231.03395	1.8
242.15517	0.9
245.13896	1.6
247.08429	1.4
255.15997	1.1
257.18842	1.4
260.16431	9.5
268.19025	3.2
269.10706	1.1
269.17477	1.5
275.20071	3.2
278.17447	1.8
286.20093	3.3
296.10147	1.5
296.15146	1.7
296.18524	35.0
297.18924	1.9
316.11752	1.7
349.23746	3.0
364.74619	0.9
366.26343	2.0
402.22604	12.5
402.28125	1.0
402.30054	1.0
403.24884	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	402.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09621	2.0
52.39091	1.8
53.03933	3.6
55.01863	3.0
55.05518	12.9
56.96565	2.2
57.03417	5.7
57.07063	3.5
65.03949	2.4
67.05499	19.0
69.03417	4.5
69.07069	19.7
70.66068	2.1
70.66418	6.8
71.04988	3.5
75.88947	1.8
79.05486	17.7
80.05014	4.3
81.03384	2.2
81.07049	21.0
83.04990	3.5
83.08598	5.5
85.06523	2.8
85.30792	2.2
87.04450	4.1
88.20795	1.8
91.05468	19.0
93.07034	17.1
95.04955	8.5
95.08593	11.4
97.06506	3.6
97.10152	7.7
97.57235	1.9
105.06992	9.9
107.04951	100.0
107.08579	16.4
109.06512	2.7
109.10125	6.2
112.48644	2.0
115.14858	2.2
117.07021	4.8
119.08590	11.5
121.06510	4.4
121.10125	7.0
121.73896	2.1
125.09593	6.1
129.06953	1.8
131.08549	9.0
131.60094	1.8
133.06503	2.9
133.10085	6.2
135.11691	5.9
136.07628	2.1
138.12779	2.3
145.10144	4.7
147.11691	2.2
148.07558	20.3
149.09637	2.9
149.13226	5.4
159.11676	6.3
161.09381	1.9
161.13165	2.9
163.11136	2.4
166.08757	2.1
171.10159	2.2
171.11626	2.2
173.13226	4.9
184.05194	2.0
189.11188	4.1
191.06915	2.3
227.12790	4.3
229.07550	4.2
229.14276	3.0
245.13870	5.8
247.08569	3.9
253.65926	2.1
255.15912	6.0
257.19031	3.9
260.16504	10.4
269.17441	8.8
275.19989	11.3
286.20087	10.6
296.18564	42.0
316.11676	4.1
349.23575	6.7
366.26215	2.1
402.17590	3.2
402.22635	11.9
402.28473	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	402.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	12.2
55.01861	12.6
55.05503	29.0
56.96559	15.9
66.56134	12.4
67.05517	25.5
69.07064	31.5
69.33466	100.0
69.33884	29.9
70.06628	14.4
73.22497	11.8
79.05479	31.9
81.07040	38.9
83.08588	15.2
86.09660	12.4
88.07610	17.1
91.05454	36.7
93.07021	21.7
93.23148	14.0
95.08605	21.0
97.10149	19.1
105.07037	21.0
107.04949	35.0
107.08558	14.8
111.08894	12.9
119.08555	26.4
135.91872	14.2
147.11790	15.5
149.09558	12.0
163.50008	11.6
179.14299	12.7
180.45076	14.9
236.65158	11.6
258.03625	11.8
260.40213	13.0
275.20062	28.0
330.23322	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	402.2269
Annotation	Smenospongine B
Peak:m/z	Relative Intensity
51.02368	0.3
53.03932	0.8
55.01871	0.3
55.05511	1.1
56.96559	0.3
57.36895	0.2
61.02913	0.4
66.59382	0.2
67.05464	0.4
68.05028	0.5
69.07052	0.4
69.97379	1.1
73.68785	0.2
77.03918	0.3
77.74735	0.2
79.05487	2.0
80.04999	2.9
81.07037	0.7
84.96081	0.2
85.56116	0.2
87.04451	2.1
88.64215	0.2
91.05482	0.7
93.07054	0.3
94.06564	0.4
95.04967	1.9
98.20740	0.2
105.04507	0.2
105.07002	0.2
107.04944	100.0
108.05269	0.7
110.28484	0.2
120.08144	0.3
136.07562	3.0
148.07555	19.5
149.07985	0.2
160.08679	0.3
162.09151	0.9
166.08603	1.9
186.09288	0.2
192.13808	0.5
210.14882	0.3
226.44720	0.2
229.07440	0.3
232.16910	0.5
242.15466	1.0
247.08508	0.4
252.09088	0.2
260.16443	11.1
261.17145	0.3
273.13171	0.4
278.17499	1.8
291.66330	0.2
296.18533	44.3
297.18790	1.0
316.11682	0.6
402.22714	12.7
403.22861	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	8.7
56.05034	6.3
57.03445	8.1
57.07076	1.8
58.74182	1.0
60.04515	3.3
60.05613	1.4
67.05502	31.3
69.03426	2.4
69.07059	4.1
69.61295	8.6
70.02940	1.3
70.06593	43.6
71.04987	10.3
71.06914	1.6
72.08152	26.5
73.08466	2.8
74.06080	3.5
76.02214	1.5
79.05490	8.1
81.03409	1.7
81.07054	55.6
82.06581	2.2
83.04974	2.3
83.06087	3.4
83.08601	2.8
84.04508	9.5
84.08144	25.6
85.02912	2.6
85.04030	1.7
85.06541	11.5
86.06064	3.9
86.09704	48.2
87.04472	2.7
87.05602	2.4
87.10038	2.8
88.03997	2.6
91.05464	9.4
93.04504	1.2
93.07057	3.6
93.50108	1.2
94.87298	1.2
95.04965	2.0
95.06069	1.8
95.08594	4.3
97.02906	1.5
97.06507	1.9
98.09712	1.3
98.21487	1.4
98.98476	2.8
102.05554	2.8
103.05457	2.1
104.07099	7.9
105.07042	7.5
107.04950	13.5
107.08572	4.9
109.06480	3.0
109.10175	9.2
110.07162	15.8
112.08709	2.4
114.05510	1.2
115.08715	2.2
116.07098	2.8
120.08099	7.2
123.11723	7.4
124.03957	2.7
124.07603	1.2
127.05009	1.5
127.08666	1.4
129.07024	1.7
129.10246	15.3
130.05022	2.8
131.04918	2.7
133.10143	9.7
136.07539	3.4
136.08582	1.3
139.11189	1.3
141.06651	1.5
141.10265	1.2
143.11809	1.5
151.11172	8.3
157.06403	2.4
169.12247	4.0
173.02130	1.6
175.07500	1.7
175.11899	1.7
184.07321	2.6
184.12347	1.3
185.16470	1.5
187.13295	8.1
203.12125	2.1
230.17494	1.4
240.08649	1.8
243.15810	1.3
261.16974	100.0
262.17355	4.0
269.11966	1.2
353.19049	1.2
384.21500	1.4
402.22461	1.5
402.28879	3.4
403.15347	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	402.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	8.6
56.05023	3.8
57.03424	5.5
57.07069	1.2
60.04509	2.7
62.06087	21.7
65.03935	1.2
67.05175	1.6
67.05507	25.8
67.53017	1.1
68.05013	1.3
69.03425	2.5
69.07053	5.1
70.02967	1.1
70.06593	32.7
70.22998	4.6
71.04997	10.9
71.06923	1.7
72.08151	15.3
73.06546	1.4
74.06055	2.9
79.05490	6.2
79.05894	1.1
81.03422	1.4
81.07057	42.2
83.04987	1.5
83.06087	2.1
83.08618	2.8
84.04498	13.1
84.08147	28.9
85.02887	3.3
85.06542	10.9
86.06055	2.2
86.09709	22.6
86.63329	1.1
87.04423	1.4
87.05575	2.1
87.10043	1.2
88.03979	3.0
91.05478	10.7
93.07030	3.8
94.55844	1.0
95.04990	1.2
95.06071	1.7
95.08586	3.1
96.08154	1.3
98.06030	1.3
98.98466	25.2
102.05539	4.1
103.03925	3.0
103.05469	1.2
104.07099	1.9
105.07057	5.6
107.04971	5.3
107.08578	5.4
108.60027	1.2
109.06546	2.2
109.10172	8.1
110.07169	8.8
112.08726	1.5
113.07133	1.1
115.08644	1.7
116.07076	2.6
116.99491	1.6
119.04908	1.7
120.08126	7.1
121.08455	1.3
123.08102	1.3
123.11713	7.3
126.09156	1.1
127.03921	2.3
129.10245	10.7
130.04967	2.6
130.10611	1.1
131.04926	2.0
133.10139	13.9
136.07602	2.4
140.08270	1.1
151.11189	15.3
154.08626	1.2
155.01039	17.0
155.02229	1.9
156.07751	2.0
157.09654	1.2
164.92404	1.1
169.12225	7.8
173.02109	7.4
181.82695	1.3
184.07382	1.9
186.12445	1.3
187.13266	15.1
198.05302	2.1
203.12183	1.6
212.16505	2.9
216.06296	2.5
225.14897	1.5
230.17499	4.2
243.15848	10.8
259.11154	2.3
261.16983	100.0
262.17282	3.4
283.33200	1.2
286.53284	1.0
305.11511	6.6
305.38715	1.2
313.76016	1.1
323.12573	22.2
341.13510	14.3
347.16183	2.2
359.14816	2.9
375.15671	1.7
384.17841	4.1
402.18591	6.3
402.24390	1.9
402.29257	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	402.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68512	0.9
53.03941	5.1
55.01870	7.2
55.05517	1.4
57.03439	8.0
61.02917	6.5
63.78902	1.1
67.05466	1.2
68.99775	3.3
69.03429	34.9
70.06590	2.2
70.18545	5.0
71.04985	4.2
72.08147	1.3
73.02914	5.4
78.99046	1.1
81.03419	24.0
81.07030	1.6
83.01334	1.8
84.04529	1.2
84.08139	2.5
84.08645	0.9
85.02905	100.0
86.03208	1.3
86.09731	1.9
87.00832	41.3
91.03948	1.2
91.05475	5.6
93.07060	1.2
97.02891	33.4
99.04459	14.8
103.03898	1.2
105.01867	68.5
105.07066	1.3
107.04955	3.9
108.04456	3.0
109.02879	27.7
115.03937	1.9
117.01844	3.2
119.08586	2.1
126.05496	1.1
127.03915	67.6
128.04269	1.5
129.01816	3.4
129.10242	1.5
145.04958	29.4
147.02904	2.7
159.02902	12.0
162.65245	1.2
177.03889	1.5
189.03947	4.5
213.03978	3.3
230.15425	1.7
231.04987	20.6
248.07715	1.5
249.06088	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	402.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
53.38026	0.2
53.59512	0.2
55.01858	0.3
56.96567	0.2
59.75627	0.3
60.04518	0.6
61.02919	0.5
68.05019	2.7
69.03432	3.2
70.06590	0.6
71.58720	0.5
79.05484	0.8
80.05009	0.6
81.03405	0.6
85.02898	3.5
86.09704	0.4
87.04476	0.3
95.04971	1.7
97.02881	1.0
98.06046	4.8
99.04489	0.2
107.04952	100.0
108.05263	1.9
109.02865	0.4
116.07092	6.1
116.98620	0.3
127.03929	1.0
134.08125	44.6
135.08476	0.7
140.00125	0.3
145.04965	0.4
176.09123	0.5
203.13159	0.3
222.02225	0.3
222.11238	0.4
240.12315	5.7
241.12032	0.3
254.69658	0.3
278.12439	0.6
296.13391	11.7
297.13818	0.5
387.36478	0.3
402.17563	15.7
403.17816	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.2
55.01881	5.4
55.05508	9.8
57.07076	76.4
67.05511	26.0
69.03420	22.3
69.07066	19.2
70.61606	4.7
71.05006	6.5
71.08632	55.2
71.58954	6.5
73.02925	8.4
73.62457	5.2
81.03406	17.0
81.07062	37.2
83.08633	32.7
83.09045	5.7
85.02913	15.5
85.10180	26.6
93.07049	6.2
95.08612	52.2
97.02895	100.0
97.10170	10.6
99.04447	37.2
109.02873	20.7
109.10173	24.1
111.11743	6.0
123.11691	7.6
127.03915	29.1
137.13263	8.7
145.04938	14.2
157.55640	5.2
174.01898	5.2
239.23755	29.6
244.49368	5.5
341.32480	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	402.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
55.01863	0.9
57.03421	0.7
61.02913	1.3
66.88977	0.5
69.03429	3.7
70.55783	0.5
71.04980	1.6
71.22778	0.7
72.08155	0.9
73.02918	0.5
78.03445	3.9
78.75930	0.4
80.05005	2.0
81.03407	1.5
84.04482	0.5
84.08125	0.4
85.02894	11.1
85.96918	0.4
87.04448	0.4
96.04498	2.1
96.34659	0.4
97.02895	3.7
97.74590	0.4
99.04458	2.2
106.02902	21.2
107.04946	1.3
109.02866	1.6
119.04959	0.5
124.03938	100.0
125.04279	1.2
127.03897	1.8
136.03909	0.9
138.05499	1.6
145.04936	1.2
154.05008	0.7
168.46112	0.5
178.08603	2.2
182.04417	0.9
204.06538	1.7
222.07585	9.8
240.08638	75.8
241.09058	1.5
326.76193	0.4
379.22629	0.4
402.13760	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03519	2.7
53.03945	8.4
55.01869	4.0
55.05515	18.8
57.03426	6.4
57.07076	100.0
67.05503	32.9
69.03430	42.6
69.07069	21.4
70.18886	14.8
71.04993	9.1
71.08631	78.8
71.09006	5.8
73.02937	3.7
79.05501	3.4
81.03418	58.4
81.07059	47.8
83.08623	37.0
84.86397	3.1
85.02900	35.1
85.10180	39.2
95.08607	59.6
97.02891	85.6
97.10173	18.2
99.04449	36.2
99.11738	5.0
102.77374	3.3
109.02887	41.3
109.10165	32.2
123.11702	18.9
125.13296	7.4
127.03912	51.7
137.13280	5.8
145.04982	12.0
151.14842	3.7
151.79897	3.3
202.77515	3.2
239.23656	28.3
257.24667	4.2
322.32852	3.3
383.28027	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	401.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.5
53.30582	2.9
54.01781	2.8
55.01867	15.1
55.05504	13.5
57.03423	7.1
57.06791	4.8
57.07076	100.0
67.05504	34.2
69.03433	41.3
69.07066	17.8
69.83693	14.4
69.84105	5.6
71.04996	15.2
71.08633	62.4
73.02914	9.8
81.03422	51.9
81.07059	36.6
81.19380	2.7
83.08615	24.8
85.02895	15.8
85.10188	36.4
85.30412	3.2
95.08609	59.3
97.02891	78.7
97.10139	14.0
99.03835	5.1
99.04456	71.1
99.11712	3.3
101.02396	3.1
103.80585	2.8
109.02885	53.7
109.10146	27.1
111.11725	4.3
121.51230	3.1
122.50401	2.9
122.83913	2.7
123.11722	10.0
127.03919	98.8
137.13245	4.6
137.43680	2.9
145.04950	12.1
151.24406	3.2
197.69574	3.3
221.22511	4.6
234.32356	3.0
239.23691	42.8
257.24619	4.1
383.27945	12.5
429.35031	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	401.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10878	0.8
51.92438	0.8
52.86129	0.7
53.03937	2.7
55.04844	0.8
55.05257	1.3
55.05511	14.6
57.03442	5.6
57.07076	100.0
59.04999	0.8
61.88031	0.8
67.05508	31.0
69.03430	23.5
69.07069	21.5
69.07371	0.5
69.07449	0.8
69.61504	5.7
69.69736	0.7
71.04996	4.2
71.08631	71.8
73.02924	2.1
79.05504	2.2
81.03420	21.1
81.07057	46.4
83.08620	32.7
85.02431	1.5
85.02910	22.8
85.06548	1.9
85.10182	41.5
91.05473	0.9
93.07044	1.7
95.08607	63.9
97.02891	16.0
97.10175	18.1
99.04446	9.1
99.08102	1.2
99.11749	2.8
109.02876	9.6
109.10154	32.1
111.11724	4.7
117.05499	0.8
123.11710	14.0
123.12570	1.1
123.81805	0.7
125.13208	3.7
127.02971	1.1
127.03914	19.9
137.13242	8.0
139.14798	1.4
145.04973	6.5
151.14842	3.3
165.16428	2.2
179.17964	0.8
196.54082	0.8
221.22672	4.0
239.23694	31.8
240.24263	1.2
257.24838	2.2
298.27274	0.8
341.26831	1.8
383.27872	8.3
401.29086	1.3
401.38345	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.4
55.01867	15.3
55.05503	35.0
57.03437	18.4
57.07053	13.2
61.02913	16.0
65.03934	7.5
67.05493	38.6
69.03437	39.4
69.07059	41.2
69.59332	62.3
70.04069	13.2
70.06567	16.4
71.04999	42.5
72.58616	8.5
73.02894	12.3
79.05495	26.7
81.03422	11.8
81.07043	100.0
83.04975	20.2
83.08617	27.7
85.02899	68.6
91.05473	29.5
93.07044	65.9
95.04962	18.9
95.08608	58.5
97.02882	17.7
97.06529	12.9
97.10126	8.8
99.08079	13.7
103.03925	9.9
105.07015	64.5
107.04955	77.7
107.08585	85.1
108.05271	14.6
109.06494	17.3
109.10146	65.7
115.04007	8.5
117.06994	7.9
119.08575	99.2
121.06483	14.0
121.10138	49.7
123.08044	11.1
123.11710	52.0
125.09618	13.1
127.03900	10.3
127.11195	19.9
129.06964	8.1
130.06517	33.7
131.06810	18.5
131.08507	11.5
133.04918	11.8
133.10130	41.5
135.11699	61.1
137.09656	17.4
137.13263	11.3
142.07625	9.1
143.08530	15.8
145.10100	37.0
147.11662	44.4
149.13248	35.8
151.11128	10.6
153.12790	13.6
156.09325	8.8
157.10150	30.3
159.11699	35.5
161.13248	24.0
163.11195	9.2
165.12726	15.7
169.10117	14.3
171.11717	22.4
173.13168	16.4
195.11687	10.2
203.17947	43.2
205.19476	19.2
207.10081	9.7
221.18996	40.7
231.17432	12.8
233.19029	15.9
255.32947	9.5
262.25781	8.4
295.11581	11.5
301.13275	8.0
336.11081	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	401.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.7
55.05518	2.4
56.80421	1.4
57.03436	2.4
63.27081	1.6
67.05498	5.4
69.03427	2.4
69.07066	2.1
69.42281	3.3
69.42686	11.6
69.72264	1.8
70.06582	5.6
71.04987	1.6
72.08141	2.4
72.93785	3.6
79.05495	6.8
81.03431	2.0
81.07047	8.5
83.04969	2.1
84.08145	1.8
86.09708	2.3
90.94855	2.8
91.05500	10.7
93.07039	2.2
93.27790	2.0
95.04972	3.2
95.08590	5.8
97.06520	2.5
103.05456	15.5
105.03384	2.2
105.07018	5.1
107.04966	19.1
108.05269	1.6
109.06510	2.6
115.05447	19.7
115.12063	1.6
117.07009	15.9
119.04945	2.0
121.02884	2.3
121.06478	1.9
121.10155	2.1
123.08073	4.5
128.06239	19.5
129.07004	22.6
131.04926	20.2
132.05740	1.8
133.06480	7.6
141.07013	18.6
141.12691	2.2
143.08537	6.0
145.06482	64.9
145.10143	1.8
147.08107	1.9
152.06227	11.2
153.07002	15.7
154.07680	1.8
155.06111	2.8
155.08542	3.5
157.06479	30.5
159.08044	2.8
165.07010	17.4
166.07832	2.9
167.08563	14.1
168.05692	2.1
169.06474	31.5
170.07170	3.0
171.08066	12.3
177.06990	7.1
178.07793	2.2
179.08461	3.1
181.06476	26.6
181.07922	2.9
183.08087	5.2
184.05234	1.8
187.07538	3.1
189.07126	2.4
191.08595	2.0
193.06485	6.8
194.07323	1.9
195.08072	18.5
197.05991	16.1
199.07547	44.7
202.07808	2.2
203.08536	2.1
205.06488	8.6
205.10155	4.6
206.07259	2.3
207.08028	4.2
209.05997	4.2
210.06825	2.1
211.07571	20.9
215.08591	3.7
218.07268	2.3
219.08022	5.1
221.05890	2.6
223.07545	56.3
223.09735	3.3
224.08147	7.1
225.05493	7.5
227.07019	65.2
228.07378	2.4
230.69763	1.7
231.08206	2.2
233.09554	8.2
234.06805	2.1
234.10391	3.3
235.07370	2.2
237.05640	4.0
239.06958	13.1
243.08096	2.0
244.08850	2.3
245.09560	2.6
247.07599	2.2
249.08984	2.3
251.07050	31.6
252.07802	5.6
254.14534	1.7
255.06778	8.4
261.09033	5.3
262.09839	5.3
265.10196	2.7
266.11041	1.9
267.06589	4.6
273.18433	2.0
276.09436	2.8
277.09955	1.9
281.09528	3.3
282.64981	1.9
285.09305	2.9
289.10065	2.8
291.19473	4.0
292.08673	2.8
293.09705	5.7
294.10522	8.9
295.11053	3.6
297.09097	5.0
299.10568	2.7
305.09634	2.0
307.11325	4.0
308.11905	2.0
309.12695	3.6
310.09763	3.3
311.10623	2.1
312.11566	3.2
318.10364	2.8
319.11093	2.6
321.09045	7.6
322.09866	5.7
323.10452	3.2
325.12430	3.0
327.13846	7.0
335.10809	2.1
337.12189	6.0
339.10080	4.5
340.10989	4.4
343.13242	6.4
353.11700	3.4
355.13306	41.8
365.11630	6.3
371.12759	27.6
383.12759	100.0
384.13150	5.2
401.14145	6.6
401.20984	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	401.0526
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	14.5
69.03447	5.6
70.06578	21.5
71.58655	8.4
72.93772	9.1
74.97603	7.4
81.03403	5.4
85.02893	9.3
90.94788	5.4
98.97585	27.6
107.04288	3.5
107.04951	100.0
108.05272	8.5
110.06048	16.6
115.02293	4.6
116.98617	21.2
132.95831	42.2
134.99631	22.2
144.95894	9.8
147.04388	14.4
150.96854	37.9
150.99127	13.3
151.49797	4.7
158.97412	6.1
162.96893	13.2
162.98404	13.5
169.00121	6.3
174.96880	66.1
176.38368	5.0
176.98404	7.5
178.97867	18.6
180.99445	16.6
182.28896	4.3
186.96919	5.5
191.26199	5.2
192.97993	21.5
193.00119	34.3
194.97495	5.8
196.98996	15.4
197.01160	10.4
211.01236	10.6
212.98454	7.5
216.97910	8.3
219.01836	4.4
220.98956	96.3
223.02777	12.6
232.98988	43.6
234.98973	47.7
235.01303	24.3
237.02824	5.2
238.99965	21.8
239.02246	10.9
240.16911	4.6
251.00020	8.3
253.02226	5.9
265.03860	7.4
281.00958	14.7
295.01117	11.9
323.02130	19.4
328.09283	5.8
341.03183	20.0
401.10565	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	401.0527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.5
53.03936	1.2
55.01835	0.4
55.93515	0.9
56.05033	0.5
56.94291	0.4
56.96564	4.2
59.95973	0.4
60.04523	0.6
69.03424	1.1
70.06592	2.2
70.95868	0.8
71.58746	0.6
72.08140	1.4
72.93777	1.9
76.59696	0.4
79.05482	1.8
81.03426	0.8
83.06075	0.5
84.08118	0.9
84.96026	1.1
85.02908	2.2
90.04608	0.5
90.94817	1.7
91.05466	0.6
95.04958	1.9
97.02886	2.6
97.46155	0.4
98.97572	5.5
102.05545	0.5
105.04533	0.4
107.04944	100.0
107.20673	0.4
108.05277	3.1
108.95860	0.5
109.02868	0.6
110.07182	1.2
110.09670	0.5
110.97584	1.5
116.98615	4.0
123.04425	0.5
127.03928	0.7
128.96358	0.7
128.98587	3.9
132.95796	3.6
134.97241	0.4
134.99640	3.1
136.06140	0.9
136.92072	0.4
140.98622	0.4
143.00177	0.5
144.95842	1.6
146.97459	0.4
146.99655	3.8
149.01204	0.6
149.05980	0.4
150.96898	3.0
158.97400	3.4
158.99660	0.7
161.01224	1.8
162.96895	1.5
162.98439	2.0
165.00748	0.9
166.97945	0.6
168.95828	0.4
170.99643	1.6
174.96864	2.6
176.06946	0.5
176.98602	2.2
176.99942	1.0
177.00844	0.9
178.97871	8.0
180.99443	2.0
181.01738	0.8
184.98886	0.4
186.96875	2.4
188.98622	0.5
189.00696	0.9
192.97897	1.0
194.97469	0.7
195.01100	0.5
196.98973	7.0
197.01192	1.8
198.96916	1.1
201.00717	0.5
204.97989	1.0
206.97420	1.6
207.01759	0.5
210.96857	0.9
212.98351	1.0
213.18939	0.4
215.02272	0.7
216.97923	2.2
216.99725	0.6
219.01733	4.3
220.98949	8.4
221.09248	0.9
224.57449	0.4
224.98476	1.2
226.22781	0.6
226.96381	0.4
228.97916	0.7
232.98938	6.1
233.99188	0.5
234.98950	7.6
237.02792	13.1
239.00002	2.3
239.10254	1.2
242.34688	0.4
247.00497	1.1
250.09436	0.6
251.00078	1.3
252.99962	0.8
255.03870	1.2
260.04434	0.4
263.00052	1.4
265.01569	1.1
270.14438	0.4
272.16043	1.4
275.00107	0.7
277.00061	3.6
281.00955	0.9
305.01083	1.8
307.04776	1.2
323.02051	19.5
323.05698	1.0
324.02472	0.6
325.05896	8.2
341.02789	0.8
343.07065	2.1
357.11148	0.4
359.06445	1.5
401.07257	2.1
401.15918	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0086
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17483	4.2
54.03847	5.1
55.55603	4.3
56.96561	15.9
71.57974	5.6
71.58373	8.4
72.68337	3.9
78.44988	4.8
97.02889	13.7
98.04939	4.5
98.97593	69.3
116.98618	76.5
119.01961	8.5
134.99651	95.0
137.02971	4.4
144.68025	4.6
153.00711	21.5
177.00963	20.4
178.01004	6.4
182.76920	4.7
219.02046	14.1
221.01794	6.7
235.00053	10.3
236.99759	8.1
250.97394	6.7
256.96588	11.1
258.97070	7.3
258.99820	58.3
260.00079	13.3
261.00211	9.0
261.03055	32.8
262.03268	6.1
263.02979	9.5
271.20267	5.2
272.94348	13.5
274.97540	56.0
275.97888	6.8
276.97653	15.3
277.00842	100.0
278.01035	15.3
279.00848	25.4
283.00018	25.7
284.99823	18.3
290.95456	14.3
292.98550	44.0
293.99042	8.9
294.98669	10.7
300.02612	5.5
300.97791	8.2
301.01050	43.9
302.01044	8.8
303.00867	42.3
304.00867	6.1
314.95648	10.0
316.98904	16.7
318.98584	32.5
319.01978	8.5
356.96771	34.5
359.01590	8.4
376.98871	15.3
395.91449	17.5
396.94830	10.3
400.97470	18.1
401.01727	18.3
414.95544	22.2
418.92410	6.9
419.02591	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	400.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35146	0.7
55.05504	1.3
55.21328	0.5
56.05017	1.4
57.60599	0.6
61.02919	1.7
67.05502	3.0
68.05013	1.1
69.07071	1.3
69.72110	3.4
70.06599	7.8
71.04987	1.6
72.08145	2.7
79.05493	1.3
81.04538	1.3
81.07059	4.2
82.05331	1.2
83.06100	13.6
84.04504	1.2
84.08144	3.8
86.09711	4.7
87.05590	0.6
91.05470	1.4
93.04525	9.4
93.07048	2.5
95.04996	0.6
95.06093	16.6
95.08588	0.7
98.20710	0.8
107.04946	1.6
107.06068	4.6
107.08609	1.6
110.07164	100.0
111.05586	2.3
111.07463	0.8
112.08713	3.2
113.07128	0.6
119.06031	1.4
120.05577	2.7
120.06874	0.7
120.08098	1.2
120.90230	0.7
121.07633	2.9
129.10249	2.1
131.06009	0.6
133.10120	1.1
136.07605	0.9
156.07700	13.6
166.06093	3.5
173.99220	0.6
184.07335	1.1
223.14848	0.6
259.18030	7.7
277.19110	27.9
278.19147	1.0
304.20148	4.0
315.16992	0.8
322.21262	13.3
324.22531	0.8
333.18179	1.6
350.20743	5.1
354.23917	3.6
358.93854	0.8
368.21780	44.5
369.22006	1.0
382.23346	1.4
400.24445	59.5
401.24774	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11481	0.5
56.05035	2.1
56.96578	0.5
62.04432	0.4
68.05027	0.7
69.03417	0.7
70.06592	100.0
71.06931	0.7
71.15069	1.0
72.08150	1.9
74.06074	0.9
81.03436	0.5
84.04488	2.1
84.08138	4.9
85.02905	0.7
86.09708	1.4
97.02889	4.7
98.03225	0.9
99.08054	0.5
102.05547	2.3
103.05763	0.5
105.28063	0.4
107.04955	2.1
107.57949	0.5
110.07161	3.0
112.08779	0.6
115.08695	14.5
116.07080	0.8
116.98619	0.5
129.10226	1.9
135.89665	0.5
136.06177	4.6
137.06543	1.4
141.10226	4.2
143.08156	16.5
157.65700	0.5
158.09161	0.6
169.09740	6.4
172.95128	0.5
175.11893	0.5
187.10782	76.4
188.11127	1.3
201.12325	0.5
214.11821	2.6
240.13327	0.8
250.09322	1.8
251.09647	2.9
258.14496	6.4
299.09958	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90240	2.1
55.01864	2.6
55.05507	12.0
55.59055	1.9
56.05030	11.0
57.03433	8.4
57.05820	2.3
60.04513	4.4
61.02911	8.3
67.05500	5.0
68.05013	5.1
69.03429	22.0
69.07059	4.9
70.06591	100.0
71.06924	4.1
71.55441	2.1
71.58348	2.6
72.04489	2.2
72.08155	57.1
73.02554	3.3
73.02918	34.6
73.08501	3.0
74.06075	4.0
79.05489	5.9
81.03401	7.2
81.04525	4.1
81.07023	2.8
83.06100	16.7
84.04503	23.3
84.08138	49.5
85.02904	52.7
85.06517	2.2
86.06058	3.0
86.09705	56.9
87.04453	3.2
87.10004	3.0
88.03979	5.1
91.03975	2.7
91.05477	7.0
93.04517	5.5
93.07076	2.7
95.04980	2.3
95.06075	10.4
95.08587	2.6
97.02885	32.8
99.04485	2.2
102.05538	7.8
104.10751	6.8
104.52251	2.1
107.04961	21.8
107.06046	2.3
108.05404	2.1
109.02856	3.5
109.06440	2.4
109.07640	5.1
110.07162	44.7
112.08733	4.4
115.03948	14.0
115.08639	5.6
116.07122	4.6
120.08139	17.3
121.07601	4.2
124.99999	4.2
127.03926	19.1
129.10242	27.3
130.05014	8.2
130.06534	2.7
133.04939	15.9
136.07588	6.5
136.08687	44.2
141.10252	2.7
145.04976	27.8
147.07846	3.2
156.07663	5.5
163.06017	9.4
169.09694	2.5
169.13425	3.3
182.09271	21.1
183.14836	3.4
184.07343	14.0
185.09865	2.1
201.12265	2.8
241.07001	2.6
259.08148	4.2
259.15405	4.0
321.18469	2.3
336.19189	11.1
354.20078	6.3
382.19992	4.2
400.12500	12.9
400.20624	21.7
400.33875	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	400.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	9.4
55.05507	6.8
56.05039	12.0
56.96550	3.7
57.03436	19.0
60.04532	6.9
60.08186	2.1
61.02927	16.3
67.05508	5.0
68.05019	2.5
69.03429	30.6
69.07056	4.7
70.02949	3.4
70.06594	100.0
71.04994	4.2
71.06913	4.8
71.57797	2.2
72.08159	35.2
73.02920	79.4
74.06070	4.4
74.71967	2.1
79.05470	2.9
80.66036	2.3
81.03413	6.4
81.07082	2.6
83.05002	2.4
83.06113	7.6
83.08591	2.7
84.04507	15.2
84.08140	43.8
85.02905	99.0
85.07653	2.4
85.08450	2.8
86.06057	2.6
86.09705	58.6
87.04475	3.5
87.05592	4.7
87.10043	6.3
88.03988	5.3
91.03967	4.7
91.05495	17.1
95.04999	3.0
95.06123	5.5
97.02891	54.0
97.06532	2.1
98.02425	2.3
98.06039	3.5
98.98454	3.0
99.04440	5.8
101.07127	3.1
102.05542	5.2
103.03922	3.3
104.10741	6.8
105.07021	3.6
107.04947	23.1
108.05264	3.1
109.02895	7.8
109.07685	3.6
110.06025	2.8
110.07168	22.5
111.04444	2.6
112.08753	4.4
115.03925	28.2
115.08692	4.0
116.98608	2.4
119.04950	3.8
120.08107	13.1
121.06533	2.8
124.99979	6.1
127.03941	30.8
129.10251	22.4
130.05009	2.9
130.06496	2.4
131.04982	3.0
133.04964	32.0
133.06477	3.5
136.07733	3.5
136.08656	12.8
139.08702	3.0
141.10159	3.4
145.04962	53.0
145.06140	3.8
147.04344	2.3
150.07661	3.7
155.11780	2.3
156.07712	4.6
157.13383	2.3
163.06038	22.2
182.09280	6.0
183.11340	2.4
183.15018	3.2
184.07358	17.5
190.36964	2.2
200.13879	3.2
204.22426	2.1
223.06076	3.8
238.14253	2.9
241.07146	7.4
259.08142	5.4
370.16031	2.3
383.14899	2.4
400.16211	2.5
400.20316	12.1
401.13376	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	400.2118
Annotation	dorsomorphin
Peak:m/z	Relative Intensity
50.33174	0.3
51.02390	0.3
51.44613	0.3
53.03933	1.2
55.01869	0.6
55.05508	1.2
56.96542	0.9
57.07079	0.3
57.66392	0.3
61.02901	0.4
67.05493	2.1
68.05862	0.3
69.03428	0.6
69.07053	1.5
69.39591	2.0
69.40014	1.1
70.04076	0.6
70.06615	0.8
71.04999	0.5
72.08156	0.4
77.03933	0.4
79.05490	2.6
80.05009	5.3
81.03407	0.6
81.07053	1.7
83.04983	0.4
83.08607	0.5
84.08121	0.3
84.63664	0.3
86.06069	0.5
86.09711	0.4
87.04458	6.4
91.05484	1.4
93.05791	0.6
93.07033	1.0
94.06570	0.4
95.04960	2.3
95.06067	0.6
95.08598	1.6
97.02870	0.3
97.06506	0.3
97.10171	0.4
99.04453	0.3
105.04501	0.5
105.07034	0.4
106.06554	0.5
107.04946	100.0
108.05299	1.7
109.06521	0.4
109.10120	0.8
116.32789	0.3
117.07027	0.3
118.06540	0.6
119.08598	0.4
120.08091	0.8
121.06513	0.5
123.08044	0.6
125.09621	0.3
131.04936	0.3
131.08543	0.3
132.08125	0.3
133.06485	0.3
133.10115	0.3
136.07613	2.0
139.92737	0.3
145.06480	0.3
148.07564	6.1
148.99091	0.4
154.08667	0.5
154.12204	0.4
158.97575	0.4
159.06421	0.3
162.09096	0.7
166.08633	13.0
170.06310	0.3
170.09845	0.4
174.09148	0.8
184.07570	0.5
185.06891	0.4
185.08325	2.1
186.09114	9.8
186.10774	0.6
188.10663	0.4
192.10136	0.6
197.07301	0.4
198.09151	1.8
198.14944	0.4
208.13373	0.8
210.09271	0.4
212.10602	0.5
218.15123	0.3
226.12291	0.7
233.62874	0.4
240.13765	1.3
242.11794	0.4
244.15562	1.2
258.14954	1.8
258.17386	0.3
272.12799	4.7
276.15936	1.8
294.16977	24.4
295.17252	1.0
296.16354	0.5
314.17480	0.8
335.50687	0.4
389.29523	0.4
400.21127	50.4
401.21411	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	400.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21109	0.4
55.05515	6.1
56.05017	1.4
57.03440	0.8
58.06598	1.8
60.08163	14.7
67.05500	0.8
69.07043	0.9
69.61180	3.9
70.06592	6.4
71.07378	6.4
72.08159	2.9
74.22594	0.4
79.05503	2.3
81.07048	1.5
83.08610	1.3
84.04511	2.4
84.08123	2.3
86.09704	46.7
89.99496	0.5
91.05465	0.9
94.39597	0.5
97.10162	2.8
98.98457	3.4
104.10741	100.0
105.11057	1.2
107.04922	0.5
107.08563	1.1
110.07146	1.0
120.08125	0.8
125.00005	23.3
125.09657	1.3
129.10240	0.9
130.26384	0.5
143.10706	0.5
148.06053	1.2
169.13342	0.8
169.56566	0.5
182.12901	0.4
184.07336	91.8
185.07721	1.1
209.09267	0.8
217.14355	4.5
258.11105	1.2
259.15567	0.6
382.19855	7.5
400.20950	22.4
401.21512	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.3
55.05280	0.3
55.05514	1.9
56.05033	0.9
57.03429	0.8
58.06367	0.2
58.06608	0.4
60.04523	0.4
60.08164	6.0
63.26839	0.2
67.05495	0.6
69.03420	0.7
69.07063	0.5
70.02942	0.3
70.06593	6.5
70.41879	0.8
71.06956	0.4
71.07364	2.7
72.08162	1.5
74.06068	0.2
79.05502	1.0
81.03422	0.3
81.07054	0.7
83.04960	0.2
83.06109	0.6
83.08614	0.8
84.04512	1.3
84.08143	2.7
85.02903	1.6
86.03240	0.3
86.06076	0.3
86.09705	33.4
87.10043	0.4
88.04021	0.4
91.05486	0.6
93.04527	0.4
95.06092	0.6
97.02913	0.5
97.10151	1.2
98.06089	0.3
98.98468	3.1
101.07127	0.3
102.05535	0.4
103.05447	1.6
104.05816	1.5
104.10744	3.0
105.07042	0.6
107.04971	1.4
107.08609	0.7
108.05289	0.3
110.07170	2.5
112.08730	0.2
116.07070	0.4
119.04945	0.2
120.08093	0.8
121.10104	0.2
125.00005	21.5
125.09607	0.6
127.03909	0.2
129.10220	1.0
131.04924	3.6
132.05260	2.5
133.06479	0.7
136.07564	0.3
143.01015	0.3
148.05157	0.4
149.05698	0.4
163.07527	1.4
164.07909	1.1
175.12103	0.2
182.09273	0.7
184.07339	100.0
185.07701	0.9
211.76265	0.2
217.14348	1.3
220.09879	0.2
228.06480	0.3
234.11220	0.4
259.15305	0.5
263.10141	0.2
285.13351	0.3
382.19724	0.7
385.01489	0.2
400.20853	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	400.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
55.01863	1.8
55.05509	18.4
57.03439	9.0
57.07063	2.3
60.74664	0.6
67.05505	6.1
69.03440	1.0
69.07069	23.0
70.06590	5.1
71.04991	2.5
71.08641	1.1
71.58370	1.0
72.08139	2.7
73.06538	0.8
79.05496	5.2
80.05789	0.7
81.07058	10.0
83.04979	1.3
83.08148	1.4
83.08620	22.4
84.04479	1.2
84.08121	2.7
85.06542	1.6
85.10149	0.7
86.09713	5.3
91.05486	3.5
92.96272	0.9
93.07043	9.7
95.04967	1.7
95.08609	3.9
97.06531	6.9
97.10171	6.3
98.98438	1.4
101.06005	0.8
104.10741	0.9
105.07000	1.2
105.28147	0.7
107.04955	14.4
107.08591	7.5
108.05270	2.1
109.10164	2.2
110.07125	1.1
111.08092	4.7
115.07553	1.1
119.04954	0.8
119.08550	0.9
120.08063	1.0
121.06504	1.1
121.10149	4.4
123.11697	1.3
124.99997	2.4
125.09620	2.3
125.13238	0.9
129.10217	1.1
130.06526	3.3
131.04918	1.1
131.08484	0.7
133.06451	1.4
149.13257	14.0
150.13573	0.8
155.00999	1.2
157.06494	1.3
167.14313	7.7
184.07329	7.4
185.15367	2.1
228.19626	1.1
232.08508	0.7
234.09137	0.9
241.17998	2.0
250.09479	0.9
259.19049	100.0
260.19406	3.4
275.10675	0.8
294.11084	1.8
382.15295	1.0
400.16028	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00321	1.2
53.03941	1.5
55.01865	1.2
55.05497	4.1
56.96552	1.2
57.06782	1.8
57.07067	29.6
59.04984	1.6
61.02931	1.3
67.05499	4.7
69.03426	1.3
69.07060	100.0
70.04060	2.2
70.06578	1.7
70.07452	1.7
70.07839	7.3
70.85538	2.6
71.04972	1.5
71.08620	1.1
72.08142	1.0
73.02908	1.2
73.10526	1.3
79.05482	4.1
80.05022	1.3
81.03407	1.4
81.07055	3.5
83.08619	1.2
85.02905	1.5
87.04467	2.7
87.08128	1.5
88.03991	1.3
91.05482	3.7
93.07018	2.5
94.56647	1.2
95.04950	4.5
95.06070	1.4
95.08592	2.5
97.02860	1.8
97.06489	1.5
97.10133	1.5
98.06043	1.7
98.99999	1.8
99.42525	1.5
101.98412	1.2
103.03102	1.2
105.07033	1.9
107.04945	70.5
108.05259	1.5
109.10143	1.4
110.77224	1.0
113.01533	1.1
115.07555	63.0
119.08569	1.4
121.06487	1.8
126.99451	8.4
127.03948	1.2
128.03447	1.9
129.01022	13.2
129.33557	1.0
141.01004	17.7
146.05920	1.2
147.08086	1.8
155.02553	7.2
156.96086	1.6
157.10197	1.0
158.97636	3.7
160.97321	4.7
161.09665	1.5
168.11334	2.1
174.02620	1.2
174.03888	5.9
174.93962	1.2
185.08389	3.7
192.93718	48.4
192.95483	2.3
193.94069	2.3
197.07265	65.5
198.07520	1.5
198.09198	1.9
211.65472	1.1
214.18053	4.8
214.94788	1.4
215.95636	4.8
225.06755	10.9
234.88106	1.2
250.92513	14.9
251.92781	1.3
267.95166	2.8
294.09998	78.3
295.10367	3.0
296.16418	1.2
296.92477	1.1
314.17441	4.4
328.85849	1.4
340.06995	1.1
353.95340	2.1
382.72076	1.3
400.03476	5.3
400.21140	20.6
400.25662	1.5
400.30276	1.6
414.66888	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
55.05488	0.6
56.12226	0.2
57.07073	1.0
66.79200	0.1
67.05489	0.3
69.07059	2.6
69.85297	0.9
70.06591	0.9
77.03883	0.2
80.18692	0.1
81.07018	0.2
83.08610	0.3
88.07629	1.5
91.05488	0.2
93.07040	0.3
95.04951	0.5
100.46528	0.1
102.09151	0.5
103.05454	1.3
104.04970	1.3
105.07040	0.2
115.07571	0.2
117.05743	0.6
121.06516	1.5
129.01018	0.3
130.06535	1.6
131.06039	10.9
132.06390	0.2
138.09102	0.3
141.01033	0.3
151.86946	0.2
157.06342	0.9
158.07121	100.0
159.07513	2.1
170.07173	0.4
197.07364	0.7
294.10065	0.3
338.34140	1.5
382.13181	0.6
400.14191	10.2
400.32272	0.4
400.37802	4.6
401.14618	0.7
422.27032	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04972	1.1
55.05499	5.3
56.96549	2.2
57.07071	49.2
58.87951	1.0
65.84663	1.0
67.05490	4.5
69.07063	93.0
70.04061	2.3
70.07463	1.3
70.07832	6.6
70.64240	1.9
70.64562	1.2
70.89063	1.1
71.04977	1.2
73.79026	1.2
79.05482	2.2
81.07058	2.9
83.04944	1.1
87.00026	1.1
91.05474	5.9
93.07029	3.2
95.04964	1.7
95.05597	1.1
95.08601	1.7
98.99992	4.3
105.07018	5.3
107.04937	2.8
107.08592	1.3
111.04412	2.0
113.01533	2.2
115.07537	6.0
116.04977	4.7
117.05740	1.7
119.04928	1.1
121.06519	1.4
126.99464	9.7
129.01022	18.0
131.06059	1.5
139.00616	1.4
141.01016	23.3
141.02089	2.1
144.06789	1.1
147.11685	1.4
155.02599	7.3
158.07135	23.3
159.07851	3.7
161.09563	1.0
166.00496	1.1
169.04175	9.6
170.07126	33.4
171.07867	3.7
173.05800	1.9
181.01633	2.1
184.07352	1.2
189.21976	1.2
194.07306	1.2
197.07271	28.1
198.06499	6.1
199.07445	1.4
200.00841	1.1
208.02689	13.0
212.11797	2.1
228.03340	4.1
235.08652	1.7
239.02571	4.2
255.13643	26.1
255.16241	2.2
260.08209	2.3
261.08829	1.3
262.09686	7.9
276.09103	1.1
280.06311	2.0
285.06683	1.3
285.09885	1.4
296.05847	26.7
297.06616	24.6
298.07199	2.6
308.05872	8.5
310.20572	1.5
326.06757	2.0
340.12378	1.4
364.12064	2.5
382.13129	100.0
383.13519	5.2
400.20639	1.5
400.27136	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.9
57.03478	0.9
57.07074	10.6
67.05489	2.6
69.07068	3.5
70.11425	3.4
71.08630	8.5
79.05484	0.9
81.07041	4.0
81.90836	0.7
83.08611	1.0
85.06509	0.8
85.10169	4.0
86.09703	100.0
87.10053	1.2
89.26301	0.7
95.08602	6.0
97.10192	0.9
107.08630	1.2
109.10168	3.0
111.11710	0.8
123.11693	1.4
132.10201	56.5
133.10431	0.7
137.13217	0.7
143.11803	13.1
146.81931	0.8
162.72960	0.8
171.11353	1.8
189.12344	6.1
193.19553	0.8
211.20552	10.0
240.23230	10.3
243.86765	0.9
268.05917	0.8
268.22763	13.1
279.63873	0.8
286.22861	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	19.0
56.05026	4.2
58.22224	1.6
60.04506	4.0
65.05005	1.6
69.03426	1.7
69.80656	6.5
69.81066	4.0
70.06593	46.1
71.04993	1.8
72.08162	11.5
74.00652	2.3
74.06066	2.4
83.06078	2.2
84.04507	39.6
84.08151	21.5
85.02888	2.8
86.09710	14.1
87.05575	3.9
91.05424	2.3
97.02905	3.9
98.09702	2.2
98.21387	3.8
101.05990	2.3
101.19543	1.4
102.05555	2.9
103.90425	2.1
104.05175	1.7
106.43832	1.6
107.04923	5.1
107.07028	1.6
110.07165	13.4
112.01064	1.5
112.03971	19.1
112.08710	2.6
113.07182	1.9
116.07121	4.5
119.04909	1.8
119.11011	1.7
120.08108	2.9
123.02705	2.5
125.00578	55.3
129.06560	3.0
129.10236	12.2
130.05002	100.0
135.15985	1.8
136.07574	2.5
139.32503	1.5
151.02138	38.4
152.05672	3.7
156.19998	1.9
168.04779	27.9
171.11400	2.2
173.09361	1.9
181.59669	1.7
254.04842	25.6
271.07413	8.2
290.00009	1.7
325.08414	5.6
369.28683	1.8
400.24127	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	399.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
53.44732	2.0
55.01859	3.5
55.05505	14.8
57.03428	5.9
61.02917	6.8
67.05495	15.1
69.03426	14.5
69.07079	10.7
70.06595	3.3
71.04999	15.1
71.59967	4.9
79.05491	23.8
81.03425	6.8
81.07049	53.1
83.04988	6.6
83.08629	3.5
85.02894	33.2
85.06534	3.9
91.05480	17.7
93.07037	33.5
95.04965	8.7
95.08606	17.4
97.02869	11.3
97.06528	9.4
97.10197	5.1
99.04483	2.7
103.03934	3.8
103.05496	2.3
105.07027	75.1
107.04928	7.8
107.08592	27.6
109.02905	2.9
109.06523	7.2
109.10132	30.5
111.04427	3.6
111.11662	1.9
117.07029	7.1
119.01939	4.1
119.08566	46.3
121.06529	5.1
121.10138	26.4
121.81931	2.1
123.08062	11.9
123.11719	10.7
123.50505	2.2
125.09636	29.6
127.03912	6.3
129.07050	2.5
131.08571	12.6
133.04968	3.0
133.06442	2.1
133.10138	30.0
135.11742	6.2
137.09612	23.8
142.07819	3.0
143.08580	6.9
143.10651	30.9
145.04955	4.0
145.10095	22.4
147.08102	2.0
147.11674	100.0
149.13332	5.3
151.11136	2.4
153.01868	5.0
157.10150	9.5
158.10934	2.4
159.11668	26.0
161.13272	7.4
163.07576	2.3
163.11151	5.9
167.10667	5.1
169.10146	3.2
171.11708	3.2
173.13272	4.9
175.11205	3.1
187.11157	3.1
201.16426	17.9
203.18007	3.4
213.16354	4.3
219.17422	36.7
221.11664	3.0
229.15706	3.5
231.17480	8.2
318.87134	2.3
327.53442	2.6
355.08142	7.3
381.22659	4.1
399.10815	2.3
399.19043	2.6
399.24075	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	399.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52372	0.6
53.03936	1.7
53.70990	0.6
54.16288	0.6
55.01857	1.5
55.05498	2.3
56.05024	2.6
56.96534	0.6
57.03434	5.7
57.07056	0.8
60.04523	1.7
60.08161	1.7
61.02923	2.2
68.05024	0.6
69.03427	9.0
69.07056	1.5
70.02918	0.8
70.06591	25.7
71.04989	1.2
71.06927	0.9
71.08620	1.1
71.58254	1.2
72.08150	6.8
73.02920	1.1
74.06062	1.5
75.04453	1.0
79.05484	1.5
81.03402	5.4
83.04951	0.7
83.06110	1.3
84.04499	4.1
84.08139	8.6
85.02902	24.8
86.06063	1.5
86.09702	20.0
87.04459	1.4
87.05599	1.5
87.10022	0.9
88.03979	1.2
91.05480	1.1
95.04940	1.5
95.06101	1.0
97.02293	0.7
97.02892	9.7
98.06039	1.0
98.97576	1.1
98.98444	1.1
99.04451	2.8
101.07136	0.8
102.04668	0.7
102.05531	2.7
103.03932	2.1
103.05463	47.6
104.05822	0.8
104.10728	1.2
105.07037	3.1
107.04940	7.8
109.02885	3.8
110.07173	6.3
110.51483	0.7
112.08741	1.0
115.03976	0.6
115.08688	1.2
116.07078	1.3
116.98617	0.9
117.05505	1.5
119.04941	1.0
120.08090	2.7
121.06454	1.1
123.12881	0.7
125.00003	6.3
127.03917	7.9
129.05460	1.1
129.10263	4.5
130.04117	1.6
131.04924	100.0
131.58649	0.6
132.05251	1.8
133.06506	8.6
134.06850	0.7
134.99672	1.4
136.06189	2.5
136.07553	1.2
137.05991	2.2
141.06934	0.8
145.04956	2.3
145.06473	1.4
147.07996	1.1
147.60149	0.7
147.77577	0.7
148.05180	12.3
155.08273	0.6
156.07669	1.6
159.08008	0.8
160.05142	0.8
161.05969	4.7
162.06822	0.8
163.07535	41.0
169.13354	0.9
173.09355	1.0
173.13002	0.6
175.07512	1.3
179.04898	0.8
184.07330	27.4
185.07707	1.1
201.09117	2.6
219.10156	1.3
237.12466	0.7
250.09477	2.9
298.09772	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
55.05508	3.1
56.96569	0.4
57.03433	1.3
57.07075	3.6
59.04996	1.7
61.02920	5.3
62.40162	0.4
65.03935	0.7
67.01846	0.6
67.05502	10.9
68.99782	4.1
69.03424	7.1
69.07064	100.0
70.04089	0.5
70.06595	0.6
70.07417	1.0
71.01384	0.5
71.04985	2.1
71.08622	0.5
71.60031	0.9
79.05489	4.1
81.02924	0.5
81.03004	0.3
81.03413	13.7
81.07053	33.4
83.04982	4.3
83.08623	1.1
84.08121	0.8
85.02901	11.3
85.06525	0.6
87.00821	3.5
91.05461	2.4
93.07050	3.1
95.04973	3.4
95.08593	7.0
97.02898	4.7
97.06516	0.6
97.10172	0.8
99.04467	1.6
99.08085	0.5
101.06030	0.5
105.01878	1.1
105.07047	1.8
107.04956	2.9
107.08582	7.7
109.02865	10.6
109.03574	0.7
109.06528	3.9
109.10153	10.7
111.04459	0.6
115.07590	0.7
119.08604	0.9
121.06479	1.1
121.10157	1.6
123.08083	1.8
123.11699	45.9
125.09634	0.5
127.03912	14.5
129.01834	8.0
129.05579	0.7
131.08536	0.5
133.10123	1.5
135.11711	0.5
136.06197	1.0
145.04944	0.7
145.10117	0.9
147.02861	4.5
147.11697	0.9
151.11177	48.9
153.01851	1.1
157.10062	0.5
158.97626	5.0
159.11702	0.6
159.98239	0.6
160.97334	3.9
163.07584	0.8
168.11371	1.9
172.07587	0.4
173.11774	0.6
191.07022	0.9
213.04050	1.0
247.08720	0.5
250.09430	1.2
289.17694	0.5
295.15509	0.7
399.04108	2.1
399.16486	4.9
400.03381	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	399.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
54.50697	0.5
55.01866	1.4
55.05513	1.3
56.76791	0.6
56.96547	0.7
57.03436	1.4
59.64911	0.6
65.03954	0.5
67.05501	2.6
69.70331	1.1
69.70733	2.3
70.06596	1.4
71.04997	0.6
79.05500	4.0
81.03415	0.7
81.07046	1.9
85.06554	0.7
86.09708	2.8
91.05492	4.3
93.07043	1.8
95.04951	5.6
95.08637	0.8
97.02878	0.7
97.06520	1.4
98.90633	0.6
103.05473	3.3
105.04530	0.6
105.07044	2.0
107.04953	100.0
107.08603	1.1
108.05305	1.5
115.05476	1.1
117.07054	1.3
119.04977	3.0
119.08578	0.9
121.02847	0.7
121.06498	8.4
123.04465	0.9
124.99982	0.6
125.09629	0.6
128.06245	0.7
129.06944	0.6
131.04941	2.4
131.08546	1.1
132.05746	1.0
132.10507	0.6
133.06480	1.8
136.06192	1.6
141.07036	0.6
145.06473	2.6
147.08116	0.6
153.76685	0.6
157.06512	1.2
165.06989	1.2
178.07808	2.6
179.08517	1.3
181.06520	1.0
184.07393	2.8
187.05524	0.6
189.06998	1.4
190.07768	2.2
191.08575	1.9
193.10040	0.6
195.08153	0.8
199.02826	0.6
202.07799	3.7
203.08522	4.2
204.09312	1.1
205.06476	1.4
205.10175	1.2
206.07216	1.3
207.08018	1.9
209.09645	0.8
215.08560	4.8
216.09352	1.3
217.03981	1.1
217.10033	1.6
218.07227	3.2
219.07999	4.6
221.09509	3.2
223.07484	0.9
226.07764	1.8
227.08585	2.2
228.09315	2.1
229.10139	3.4
231.08044	4.1
232.08884	1.2
233.09651	7.0
234.06873	1.0
235.07555	8.0
236.08217	1.0
237.09096	4.2
237.13280	1.5
239.08504	1.1
241.10205	1.4
243.08031	5.3
244.08844	2.2
245.09645	4.9
245.28691	0.6
246.06763	1.0
246.10391	1.3
247.07649	1.9
247.11131	3.2
248.08440	1.4
249.09137	6.8
250.09868	3.3
255.08051	1.2
255.14442	2.1
256.08875	2.6
257.09625	6.5
258.09979	0.8
259.07614	2.5
259.11166	1.6
260.08295	1.2
261.09109	15.6
262.09906	6.1
263.10712	1.8
269.09552	3.8
270.10403	0.6
272.08295	1.5
273.09052	7.7
274.09802	4.5
275.10678	11.9
276.11200	0.8
277.12247	1.1
279.10135	4.2
287.10663	5.4
289.17896	1.1
291.10123	9.9
292.10864	2.0
293.11691	3.3
305.11862	1.1
307.11163	1.3
311.10718	0.8
317.75351	0.7
319.11053	0.7
320.11874	0.7
323.10568	1.0
331.86325	0.6
335.10748	1.0
335.14362	1.3
339.14590	0.7
340.11084	0.7
347.10648	0.9
348.11353	0.9
353.11700	9.0
353.15482	0.9
355.13049	0.7
360.12851	0.6
363.13779	2.7
369.14905	1.8
381.14847	7.5
382.15262	0.7
399.15741	4.5
399.19910	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	399.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.01871	3.2
55.05510	11.9
56.96558	1.9
57.03419	1.6
67.05503	5.8
69.03420	0.8
69.07069	2.0
70.06589	1.9
71.04987	1.0
71.08632	0.9
71.58681	1.0
79.05492	5.9
81.03424	1.1
81.07049	6.3
83.04981	37.1
83.08627	1.3
84.08156	1.2
85.06532	0.9
86.09702	1.6
91.05456	7.8
93.07034	5.5
95.04964	4.5
95.08601	3.5
97.02891	0.9
97.06519	1.5
97.10136	1.1
103.05474	4.8
105.04515	1.1
105.07026	5.7
107.04954	100.0
107.08578	3.6
108.05312	1.3
109.06543	1.8
109.10176	2.3
115.05457	4.1
116.06200	0.7
117.07021	9.2
118.48604	0.8
119.04950	2.7
119.08559	2.9
121.02876	2.7
121.06486	4.0
121.10129	1.9
123.04435	0.7
123.08106	1.1
123.11712	0.7
125.09631	1.4
128.06232	4.9
129.05486	1.2
129.07011	19.2
131.04930	15.1
131.08559	3.6
132.05711	1.7
133.06511	3.5
133.10207	1.6
134.21887	0.7
135.08073	1.5
135.11678	2.0
136.60800	0.7
137.09534	1.0
137.75420	0.8
139.11153	0.7
141.07011	1.4
143.08542	2.0
144.05702	1.5
145.06477	29.1
145.10127	3.0
147.04436	1.1
147.08066	2.1
147.11664	2.3
149.05968	3.1
149.09654	1.1
153.07025	1.0
154.90474	0.8
156.05714	1.3
157.06496	32.7
157.08562	1.6
158.06938	0.9
159.08037	3.8
159.11731	1.2
161.13257	2.7
163.11154	1.4
165.07019	2.9
166.07828	1.6
167.08537	1.2
169.06482	2.6
171.08095	1.7
173.09636	2.2
178.07779	2.7
179.08557	3.4
181.06529	2.5
182.07249	1.7
183.08046	1.7
184.07387	0.9
189.12741	1.0
190.07744	1.5
191.08578	3.2
191.10684	2.6
193.10153	1.8
193.12057	1.0
194.07320	3.0
195.08038	2.3
197.09515	0.9
202.07790	3.6
203.08504	1.8
205.06480	1.4
205.90926	1.0
206.07288	2.1
207.08012	6.9
207.13779	6.4
209.09634	2.7
211.07524	1.6
213.09010	1.6
217.10162	1.7
218.07141	0.9
219.08084	4.5
220.08865	3.9
221.09644	4.2
223.07513	6.5
224.08315	2.0
225.09108	15.2
231.08005	4.2
232.08827	2.0
233.09660	4.5
234.06802	1.0
235.07539	4.2
235.11194	3.0
236.08228	1.4
237.09102	12.5
238.09840	3.4
245.09651	3.6
246.10400	1.0
247.07550	1.8
247.11174	1.1
248.08412	1.5
249.09109	16.5
250.09863	8.0
257.09579	2.4
260.08279	1.0
261.09134	5.0
261.18555	3.2
262.09943	2.3
263.10703	12.3
265.18002	2.0
271.16888	2.0
273.09140	1.6
274.09897	1.2
275.10635	9.4
287.10645	2.1
289.17981	5.7
293.11713	4.3
307.19022	1.5
323.10556	1.2
353.15460	1.1
369.14774	18.2
369.19028	1.1
381.14893	9.5
381.22507	4.0
399.15897	8.5
399.23730	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	399.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10265	0.8
55.01867	1.4
55.76394	0.6
56.04778	1.2
56.05029	17.3
56.96557	8.1
57.03423	2.0
58.06577	2.1
61.01143	7.0
61.02913	3.1
69.03422	12.9
70.06572	2.8
71.59473	0.8
72.08125	1.1
73.02913	6.4
74.02431	4.4
74.06073	5.0
75.02688	3.1
81.03381	1.7
84.04491	2.7
84.08141	1.6
85.02894	8.6
91.03931	2.8
91.05435	0.9
94.06554	1.1
97.02882	93.7
98.03216	1.5
98.97571	17.4
99.04446	1.0
99.57940	0.8
100.74580	0.7
101.00848	0.8
102.05531	35.8
107.04946	15.3
109.02866	1.1
110.01261	1.5
110.07133	1.8
110.97562	1.6
112.99152	0.8
116.98619	12.5
119.01835	5.1
119.04917	1.7
121.01621	1.4
121.05197	1.0
127.03914	3.2
128.02345	0.9
128.98553	4.5
131.00160	4.3
131.01830	1.9
133.03468	1.0
134.99631	7.7
135.05435	1.2
136.06171	100.0
143.00121	1.7
143.01875	1.3
145.01755	0.8
145.03200	3.2
145.04942	1.1
146.02286	1.4
146.99632	6.3
147.03076	3.0
147.04411	3.7
149.01210	14.4
153.00645	0.7
155.02823	2.3
156.03606	13.0
156.53719	1.8
157.03622	1.1
158.99641	10.2
161.01216	3.0
161.02953	2.8
162.07726	1.2
163.04045	5.0
165.00700	2.3
165.04153	1.1
167.02237	7.7
170.03302	2.1
170.99640	3.0
173.02899	1.6
175.02832	1.2
177.00685	18.0
177.02126	0.8
177.05522	0.8
178.07118	1.2
179.02271	1.4
182.03360	1.7
185.02998	0.8
187.02763	1.1
189.00705	6.7
190.08690	1.1
191.02251	2.8
191.03903	4.7
193.00209	1.4
195.01585	2.6
200.04353	3.5
201.00647	1.9
203.02400	1.5
203.04062	1.2
207.01788	3.1
207.05025	0.9
209.03148	1.2
213.00725	1.8
213.02531	1.7
217.03938	0.8
219.01727	14.0
220.11755	1.3
221.03104	1.2
227.04869	1.0
228.05695	27.5
228.55901	3.3
229.07289	1.2
231.01715	2.7
231.03673	1.2
233.03265	1.5
236.99010	0.8
237.02702	5.4
237.06204	7.8
237.56380	1.4
248.56912	1.4
249.02640	4.0
250.09323	93.8
251.04184	1.1
251.09569	2.0
255.03580	4.2
261.02643	1.1
263.06128	1.5
264.08929	4.7
269.05411	1.0
272.06497	10.1
272.56494	1.3
279.03711	11.2
279.06305	1.0
291.03574	1.1
293.05469	5.3
293.08368	1.1
294.05743	0.8
297.04785	2.3
298.09668	14.9
309.04776	1.3
311.06430	4.9
318.08807	7.8
318.59030	1.3
321.04843	1.2
339.05643	5.4
339.09418	1.7
353.07507	0.9
357.06592	5.3
381.74539	0.7
393.08771	1.7
399.07556	4.4
399.12671	1.0
399.18698	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88195	3.2
56.05021	6.8
56.96559	39.0
60.09534	2.8
64.11716	2.6
69.03410	8.5
70.06600	22.3
71.08610	2.6
72.08152	4.9
72.93770	3.4
78.98627	2.7
79.05434	3.3
83.05019	3.0
84.08128	10.8
84.96016	17.3
85.02882	13.5
86.09719	6.6
89.23802	2.7
90.94797	4.4
97.02889	23.5
98.97574	41.5
101.06013	2.9
102.05533	7.9
102.96972	4.8
107.04937	19.2
109.02902	3.9
109.51513	3.1
110.07160	5.1
110.48289	2.5
110.97553	6.8
112.08682	4.1
116.98608	36.5
123.04409	3.5
128.98621	16.8
129.05476	5.3
131.00160	4.8
131.04926	7.0
132.76917	2.7
134.99644	28.7
136.06166	21.4
136.07520	3.1
143.00150	8.9
146.99666	17.2
147.04395	4.6
147.06509	4.9
149.01161	4.2
153.00734	4.0
158.99620	7.5
161.01202	25.1
162.99190	4.6
163.03984	4.2
165.00761	3.3
169.01688	7.9
170.99608	3.2
176.06123	2.8
176.98569	5.2
177.00705	14.8
179.00142	2.8
179.02222	11.8
187.02736	20.0
189.00601	4.8
194.99641	9.3
197.01212	14.0
201.00725	6.8
212.98605	3.4
213.00684	69.8
219.01779	35.3
231.01738	15.9
234.98891	4.0
237.00616	6.2
237.02779	59.4
249.00781	3.8
250.09396	22.3
255.01735	12.1
255.04045	4.4
277.03885	5.2
279.01669	12.1
281.03293	10.6
297.02792	9.2
298.09848	4.7
299.00339	2.8
309.02988	3.1
321.02673	7.9
339.03848	100.0
357.04944	63.0
380.06158	3.3
388.88058	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48096	0.6
51.92125	0.6
53.03927	1.6
55.05515	3.7
57.07059	1.8
67.05502	11.2
69.03406	0.7
69.07064	4.1
70.06592	2.1
71.08611	1.2
71.59731	0.9
74.06059	0.6
76.60542	0.7
79.05497	4.9
81.07047	13.6
81.51094	0.6
83.08600	1.4
85.02918	1.0
86.09715	1.2
88.07623	4.9
91.05468	7.7
93.07039	11.5
95.04961	3.3
95.08598	8.6
97.06490	0.8
97.10136	0.8
103.05459	4.8
105.07022	2.9
107.04955	3.1
107.08587	3.3
109.10139	3.7
119.08539	1.4
120.24188	0.7
121.06496	100.0
121.10073	1.5
123.11653	1.2
129.06908	1.0
131.08574	1.4
133.10095	1.0
135.11720	1.4
136.07581	4.5
138.09131	32.1
145.10130	1.8
149.13254	1.1
158.97684	0.8
159.11697	0.9
160.97414	1.2
163.14827	0.9
177.16243	1.0
184.07442	1.1
215.06253	3.2
234.14796	1.1
243.21048	2.0
248.16547	1.0
261.22156	1.4
262.18234	1.1
276.19315	0.9
301.76761	0.7
316.22653	1.0
332.25949	0.8
336.32465	2.4
345.14511	1.0
398.00281	1.1
398.25598	1.2
398.30545	10.3
398.36285	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	398.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	10.1
55.05508	4.3
56.05029	8.4
57.03436	18.2
60.04505	5.5
60.08160	4.6
61.02915	16.6
62.61071	2.7
67.05489	5.0
68.05042	3.4
69.03428	31.6
69.07063	39.2
70.06590	86.1
71.01344	5.6
71.04992	5.1
71.06898	4.8
71.57690	5.1
72.08147	18.3
73.02914	87.3
73.86372	2.9
74.06069	4.3
81.03425	5.2
81.07025	3.9
84.04510	12.8
84.08142	39.4
85.02899	100.0
86.09699	48.5
87.04472	7.2
87.10011	4.1
91.03957	3.8
91.05518	3.7
95.04967	4.7
95.06095	4.6
95.08615	8.6
97.02885	62.3
98.06084	7.2
98.97571	8.1
98.98472	3.8
99.04459	4.0
102.05533	4.5
102.06522	3.6
103.05457	3.1
104.10725	17.1
105.07047	14.3
107.04960	13.7
109.02882	8.2
110.07169	18.8
115.03941	23.9
115.08725	5.1
116.07081	5.7
116.98627	6.0
120.08091	15.4
121.06495	6.2
125.00026	21.7
127.03905	33.7
129.10246	15.5
133.04974	30.4
133.06487	28.1
134.99667	3.8
136.06255	3.2
136.07578	6.3
145.04971	40.9
163.06065	23.3
184.07333	76.4
193.05049	4.0
201.10986	3.7
223.06001	6.4
241.07106	5.9
259.08139	7.6
306.93375	3.3
338.11426	3.7
347.53003	3.6
369.08765	4.3
398.19235	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	398.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01128	2.0
55.01868	3.4
55.05507	5.2
56.05032	7.7
57.03436	8.3
58.06593	2.5
60.04517	6.0
60.08158	6.6
61.02914	3.1
67.05489	3.8
68.05004	3.2
68.50648	2.4
69.03426	9.1
69.07058	11.2
70.02939	2.8
70.06202	4.9
70.06592	100.0
71.05009	3.0
71.06928	6.6
71.07336	3.3
71.19830	4.3
72.08150	21.4
73.02909	16.3
74.06081	4.4
75.20073	2.1
81.03430	4.2
82.06535	1.9
83.06087	4.3
84.04508	23.2
84.08138	40.6
85.02904	27.1
86.06067	2.4
86.09702	53.6
87.10036	2.7
88.03992	2.6
89.34216	1.9
91.03963	2.0
91.05476	5.9
95.06113	4.2
95.08592	10.5
97.02886	15.6
98.06069	3.4
98.09657	2.7
98.98439	3.2
101.07168	2.5
102.05513	5.8
103.05455	3.6
104.10743	38.5
105.07032	3.4
107.04942	12.9
109.02866	3.3
110.07162	23.6
112.08725	2.0
115.03947	7.4
115.08700	3.8
116.07117	2.5
120.08094	22.7
121.06508	9.2
121.08492	2.7
122.06845	5.0
125.00008	14.9
126.05526	4.1
127.03896	9.3
127.08652	2.8
129.10263	19.1
130.05016	5.7
130.08591	2.4
131.83415	2.2
133.04965	7.9
136.06160	4.8
136.07584	5.5
137.09624	3.0
145.04948	8.9
156.07710	3.4
163.06024	4.9
166.74130	2.1
167.11853	2.3
179.90529	2.4
184.07330	55.8
184.33696	2.1
201.11255	2.9
247.08139	2.1
248.08208	2.2
250.09653	2.5
257.13809	9.0
259.08069	2.7
334.18927	2.4
338.11380	5.9
339.50458	2.3
398.15005	2.5
398.18951	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	398.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.1
55.01613	2.8
55.01859	2.9
55.05505	3.0
56.05021	4.5
56.74972	2.4
57.03424	8.6
57.07047	2.8
57.80195	2.3
59.54553	2.7
60.04503	4.6
61.02908	6.4
67.05484	5.4
68.05029	2.7
69.03412	18.3
69.07066	5.1
69.27917	11.2
69.28338	16.6
70.06586	23.7
71.04983	37.5
72.08141	4.3
73.02911	2.7
76.02223	6.0
79.05482	5.7
81.03418	8.6
83.04971	3.1
83.06115	5.3
84.04478	8.2
84.08134	9.6
85.02897	79.5
85.06538	26.6
86.09708	4.8
87.04485	2.7
91.03945	3.8
91.05468	9.3
93.87738	2.8
95.04966	5.5
95.06091	8.4
95.08573	2.9
96.06876	18.0
97.02886	21.5
97.06506	7.9
97.07639	19.8
99.04440	29.9
100.53788	2.7
102.05502	4.1
103.58065	2.5
105.07025	4.3
107.04944	53.2
109.02914	3.9
109.06499	3.3
109.07626	23.6
110.07143	5.1
115.03901	2.8
116.01649	4.5
117.05482	54.6
117.07024	3.7
119.04951	8.6
119.08589	2.9
123.04391	5.3
124.08752	4.0
125.07111	2.8
126.10306	22.2
127.03887	17.3
129.10231	6.2
130.04990	3.4
135.06516	22.4
136.06129	15.3
136.08591	2.8
143.07018	3.5
145.04944	26.6
147.04413	14.9
148.07520	2.8
149.08342	5.1
160.07553	7.3
162.02226	3.7
163.03952	4.1
163.06087	4.7
163.07567	3.2
170.09232	32.1
179.04854	10.3
180.08784	55.9
183.10176	4.8
188.07062	8.4
191.05415	3.2
201.11247	15.1
206.08200	7.2
216.97704	3.7
229.10718	3.1
234.89874	2.5
250.09317	5.5
262.55176	2.9
262.89371	3.9
266.17725	2.8
354.23785	5.8
392.95538	3.7
398.22803	100.0
399.03671	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	398.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.0
56.96571	1.1
57.07058	0.8
58.99577	1.2
61.01145	0.9
61.43751	0.8
66.63811	0.8
67.05472	1.4
69.03416	1.1
70.06589	1.4
70.46761	3.1
71.06116	20.4
72.04510	3.7
73.02920	1.4
74.00668	1.6
74.02438	15.6
74.34592	0.8
76.02198	1.5
77.00626	16.2
78.03790	2.9
80.82450	0.7
83.43648	0.7
84.04501	0.9
84.08170	0.9
85.02951	0.8
85.06550	1.8
86.06065	2.2
92.98341	1.8
95.04989	1.1
97.02898	1.1
98.97586	1.4
99.05561	2.9
100.07646	1.0
101.01743	1.4
102.03764	3.1
103.02175	1.4
107.04960	2.7
107.99400	1.7
112.79021	0.7
113.05974	1.6
115.08705	1.1
118.03239	43.1
118.46651	0.8
120.01193	2.7
120.04811	3.3
130.03242	7.2
131.06357	2.1
132.04782	2.4
136.06253	1.0
142.07718	0.9
142.08650	5.7
147.02231	3.8
147.05862	91.9
148.06177	1.0
149.07433	16.5
151.98340	28.4
176.02101	2.0
181.04672	2.0
184.09697	2.2
197.04202	3.8
205.04665	2.5
222.07338	1.9
229.67732	0.9
237.02852	1.1
239.05272	1.7
250.09392	1.1
251.05205	3.4
259.11172	1.6
268.07834	100.0
269.08173	2.0
293.09915	1.2
339.03680	1.6
380.13074	29.0
381.13281	1.4
398.14655	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.01884	0.9
55.05509	0.8
56.05022	1.0
57.03427	1.0
60.04513	1.3
61.02926	0.8
61.73678	0.6
63.68816	0.4
65.03928	1.1
67.05509	1.0
69.03421	4.0
69.65429	2.5
70.06590	3.6
72.04516	0.5
72.08156	1.2
73.02915	0.8
79.05480	2.3
81.03417	5.5
81.07053	1.1
83.06088	0.7
83.08630	0.5
84.04509	2.4
84.08139	1.5
85.02898	5.3
86.06069	1.9
86.09685	0.8
87.00819	2.2
87.04454	0.5
91.05474	30.7
92.05798	0.5
93.07024	0.5
94.06553	0.6
95.04956	1.6
95.06105	1.5
96.08127	0.5
97.02885	3.6
97.06535	1.5
98.06038	2.3
99.04469	1.1
100.11277	0.6
102.05565	1.4
103.05433	0.5
105.01864	0.6
105.07027	13.2
106.06531	1.8
107.04943	5.5
107.15818	0.4
108.05241	0.5
109.02869	6.0
110.06036	0.5
110.07165	3.7
111.04446	0.9
114.05527	1.5
115.03916	0.5
115.05479	3.7
116.07111	0.6
117.05750	12.2
117.07029	0.6
120.08083	4.8
122.06034	1.5
123.04408	0.8
126.05515	2.6
127.03912	4.9
129.10275	0.5
130.06528	1.8
131.07304	1.0
132.08081	100.0
133.06482	17.2
133.08427	1.4
134.09644	0.9
136.06166	1.1
137.05963	0.9
140.07048	0.9
143.03357	0.5
144.08080	0.5
145.05028	0.9
146.05991	1.1
148.07472	0.5
150.09129	76.7
151.09468	1.3
152.05612	0.8
159.02850	1.0
168.06517	1.0
186.07516	0.6
188.07042	2.1
190.10869	1.0
192.10172	0.7
198.70599	0.5
205.09706	0.9
230.06569	0.6
234.13496	1.3
236.87981	0.5
272.07709	0.8
277.10608	0.7
290.08673	1.7
292.12799	1.4
312.14645	2.4
331.06564	0.8
336.14236	0.9
336.17880	0.6
352.22345	1.1
354.15479	2.9
355.16016	0.6
380.13043	0.8
380.20490	0.6
398.14407	12.0
398.22437	5.3
399.14035	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3101
Annotation	6-Geranylgeranyl-2-methylbenzene-1,4-diol
Peak:m/z	Relative Intensity
52.70617	1.4
54.76753	1.3
55.05516	10.3
57.03433	2.0
57.07074	3.4
60.31433	1.3
65.03951	2.2
67.05511	17.2
69.03423	2.8
69.07068	35.1
70.06588	3.0
70.65565	1.4
70.65896	3.2
70.76101	1.2
79.05501	12.0
80.05833	1.4
81.07063	28.5
83.08624	4.4
84.08157	2.1
84.80913	1.4
86.06068	7.0
91.05482	16.6
93.07048	16.8
95.04971	3.8
95.08610	25.9
97.06560	2.2
97.10168	2.6
105.07041	16.6
107.04942	5.1
107.08585	11.4
109.06520	4.5
109.10157	29.0
110.10516	3.6
111.11709	2.7
111.78378	1.7
115.05473	1.4
117.07027	5.6
119.04910	2.2
119.08560	9.4
121.06499	30.1
121.10140	4.0
123.08089	2.6
123.11694	6.5
129.07053	5.2
131.08559	13.1
133.06502	12.6
133.10126	6.0
135.08047	10.2
135.11710	2.6
137.13280	3.5
141.06996	2.4
142.07764	2.0
143.08551	7.4
144.05717	1.8
144.09383	1.8
145.06511	2.5
145.10143	15.5
147.08049	8.3
147.11684	9.7
149.09645	6.1
149.13193	1.4
151.14880	1.7
154.03716	1.2
155.08566	3.1
157.10136	7.9
159.08057	50.6
159.11647	8.2
159.50101	1.5
161.09590	6.9
161.13271	2.3
165.09125	1.4
165.16422	4.3
167.08624	2.0
169.10094	3.6
171.08090	3.8
171.11662	3.6
173.09625	17.9
173.13260	11.2
175.11179	23.8
175.14783	2.4
176.11659	1.5
181.10120	2.5
183.11760	4.3
185.09709	2.4
185.13226	6.8
187.11194	4.3
187.14819	6.1
189.12772	3.3
195.11789	2.2
197.13277	4.4
199.11255	2.8
199.14874	6.0
199.94398	1.3
201.12746	55.3
203.14325	4.1
204.13921	2.6
209.13231	3.7
211.14844	2.2
215.14284	29.9
219.13835	5.7
223.14934	2.0
227.14314	14.8
227.18025	1.7
229.15961	2.8
231.13841	3.8
233.13019	1.0
233.15347	30.2
241.19661	1.4
243.17303	1.6
243.47093	1.4
245.15370	29.9
247.16971	4.7
253.00883	1.3
259.17068	2.9
267.17560	2.2
269.19043	3.9
271.17047	2.3
273.18542	3.0
275.20398	1.6
285.18509	11.6
285.22150	8.5
287.20062	28.0
289.21716	2.3
291.21167	1.3
297.22162	2.2
299.20071	3.5
301.21661	9.5
309.21939	2.5
313.21622	16.2
315.23294	7.8
323.23587	1.8
327.23303	2.5
329.24850	5.2
341.24768	8.9
361.28799	3.2
361.90170	1.4
379.30026	12.8
397.31049	100.0
398.31314	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2737
Annotation	Estradiol 17beta-cyclopentylpropionate
Peak:m/z	Relative Intensity
53.03933	2.2
55.01870	2.5
55.05509	9.4
56.96549	8.4
57.03420	6.7
61.79845	1.8
66.52872	1.9
66.73981	1.8
67.05495	13.1
69.03432	2.2
69.07071	5.4
70.06575	8.1
71.04967	2.4
71.58737	1.8
71.59145	3.0
72.08158	2.7
74.06068	1.8
75.21361	2.1
79.05489	20.9
81.03415	3.5
81.07063	29.2
83.08616	2.6
84.04485	2.0
84.08137	3.6
85.02879	2.1
86.09705	4.1
91.05481	18.3
93.07043	20.4
95.04961	8.9
95.08583	7.8
97.06534	6.9
97.10174	1.8
100.11211	4.3
103.05422	3.7
105.07020	19.2
107.04958	77.2
107.08601	21.9
108.05257	4.3
109.06507	5.9
109.10147	6.9
111.08090	2.5
115.05495	2.3
117.07021	7.6
119.04947	4.8
119.08593	13.3
121.02860	4.0
121.06520	9.5
121.10128	2.8
123.04417	2.9
123.08057	3.7
123.11652	2.2
125.06015	3.1
129.06981	6.2
129.10213	3.0
131.04942	15.7
131.08549	9.1
133.06483	5.7
133.10115	11.8
135.08047	16.2
137.05995	2.4
139.07556	2.5
141.06998	5.5
143.08556	6.7
145.06480	15.4
145.10098	6.5
147.08046	5.1
147.11697	7.3
149.06000	4.6
149.09592	3.7
151.07532	2.4
155.08540	5.6
156.09401	2.3
157.06430	5.0
157.10138	4.7
159.08089	9.7
159.11664	3.7
161.09622	3.0
161.13266	14.3
163.07489	13.3
169.06482	5.7
169.10132	5.9
171.07979	2.7
171.11703	4.7
173.09633	4.7
183.11652	5.5
184.07365	2.2
185.09528	3.0
185.13264	3.9
187.11160	3.3
187.14897	2.4
195.11743	3.7
197.13225	3.4
199.11148	4.5
201.12775	9.8
202.07751	3.1
207.08043	3.1
207.11621	3.1
209.13278	2.4
211.11296	2.4
211.14862	4.6
213.12782	3.1
215.14326	3.6
219.08051	2.8
229.07474	2.2
229.15891	5.1
231.08099	2.8
235.11230	2.6
239.14252	3.1
239.17989	3.7
245.15308	4.4
247.07645	2.9
247.17056	2.8
248.08345	3.0
249.09117	3.3
253.15862	4.8
257.15280	5.1
259.17035	3.0
263.10590	6.8
267.17401	6.3
273.10043	2.7
275.16418	36.0
307.11880	2.4
341.24713	3.3
343.24219	3.1
361.25229	7.9
379.13327	7.3
379.26318	16.4
397.13943	4.4
397.18369	11.8
397.22421	9.7
397.27292	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.222
Annotation	CHEBI:69890
Peak:m/z	Relative Intensity
53.03941	5.1
55.01866	6.0
55.05502	7.6
56.96558	8.0
57.03432	11.4
59.05005	2.3
61.02925	11.3
64.71642	2.2
65.03941	2.3
67.05505	16.4
68.76072	1.9
69.03436	32.4
69.06725	3.3
69.07070	44.0
70.06583	3.1
70.32082	2.4
70.32430	7.6
71.04984	5.8
73.02915	6.6
73.22534	1.9
76.42040	2.2
77.90858	1.8
79.05489	12.6
81.03423	14.7
81.07062	20.7
83.01344	2.9
83.04985	4.1
83.08613	4.2
84.04496	3.0
85.02905	60.3
86.09707	4.0
86.62566	1.9
87.04450	5.0
91.03970	4.6
91.05479	25.1
93.07043	21.3
95.04964	6.8
95.08610	28.1
97.02900	20.8
97.06514	15.1
99.04459	5.7
105.03383	4.9
105.07034	29.2
107.04951	25.7
107.08604	21.6
109.02881	7.4
109.06538	7.8
109.10171	13.0
111.08103	9.1
117.07024	12.3
119.04933	5.1
119.08588	100.0
120.08950	2.9
121.06506	7.8
121.10124	15.7
123.04454	2.4
123.08092	14.0
125.09589	3.3
127.03951	11.7
128.06224	7.8
129.07004	5.1
131.04875	3.0
131.08565	14.5
133.06525	5.6
133.10138	50.2
135.08070	3.1
135.11726	4.7
137.09613	22.1
138.10362	6.2
139.11147	8.8
141.06946	2.7
142.07803	7.2
143.08566	25.3
145.04962	9.1
145.06517	2.7
145.10083	5.3
146.07228	5.2
147.08052	42.5
147.11691	19.5
149.09613	3.8
149.13216	2.7
156.09349	3.2
157.10121	17.9
159.11694	10.0
161.09627	40.2
161.13261	7.9
169.10138	2.1
170.10933	3.5
171.11659	18.5
173.13269	14.8
175.11230	15.1
175.14827	21.8
176.15210	2.5
184.12488	5.5
189.12790	6.2
189.16353	12.8
199.14839	55.0
203.08630	2.3
217.07608	2.4
217.15877	97.0
218.16202	5.7
229.07477	2.9
235.07455	2.1
235.16974	5.6
285.09039	2.5
291.10114	4.9
303.10226	2.9
327.14661	2.5
349.65408	2.1
351.13824	5.6
355.05533	2.1
379.13205	6.7
397.14359	7.7
397.18732	6.3
397.22968	3.2
397.27505	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	397.167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42913	0.5
55.01850	0.8
55.05493	2.7
55.93524	10.2
56.94295	1.5
56.96545	0.7
57.03424	1.1
61.02909	0.7
62.10963	0.5
65.02957	0.6
67.05503	7.3
69.03423	1.3
69.07045	2.7
69.82116	2.5
69.82528	1.3
70.95857	3.7
71.04987	2.1
71.92994	2.9
72.93782	14.3
73.94553	1.0
79.05479	4.5
81.03410	1.5
81.07047	7.5
82.11158	0.7
83.05005	0.7
85.02876	0.7
86.06046	1.0
87.66103	0.7
88.68295	0.6
88.96875	2.3
89.94041	0.8
90.94823	10.0
91.05470	4.8
93.07010	1.7
95.04972	1.0
95.08586	1.1
97.06524	3.6
103.03309	0.7
104.96397	0.7
105.07008	1.9
105.93503	1.2
107.04935	2.4
107.08566	1.1
107.95060	1.1
108.95857	4.1
109.06469	0.7
109.10142	2.7
113.96347	1.0
113.97610	1.1
116.96346	1.0
117.06983	1.3
119.08574	1.8
120.05559	1.1
121.06532	0.9
121.10128	1.1
122.99115	0.6
123.94494	0.9
125.09538	0.7
125.96090	1.1
126.98404	1.8
127.32942	0.6
128.96338	2.5
129.06984	0.6
130.97919	1.2
131.05005	0.6
131.98705	1.5
132.53180	0.6
133.10139	0.8
134.97345	1.6
135.07964	0.7
136.95322	0.8
137.97586	0.9
138.98407	2.5
140.96341	1.0
142.97917	1.1
143.08556	0.7
144.95728	0.7
144.99422	2.3
146.97389	3.2
146.98918	0.8
148.98958	1.8
149.00504	0.7
150.10698	0.7
150.96828	1.4
150.98375	1.4
151.02019	1.0
151.97652	2.8
154.97939	1.9
155.98679	1.3
156.99376	0.6
158.00281	0.6
158.97430	0.8
159.01065	0.7
162.96841	1.9
164.99953	3.2
165.03590	1.1
165.97066	1.6
166.97919	2.1
168.99446	1.6
170.97318	1.4
171.01001	1.8
172.98955	1.8
173.11775	0.9
175.02011	1.1
176.98438	1.1
178.97871	1.9
179.01459	1.3
180.99486	1.2
182.00189	0.7
183.00983	1.0
183.98125	2.7
184.98906	2.3
185.02728	0.7
186.01277	5.9
186.96898	0.7
187.00490	1.6
189.01956	0.7
189.03551	1.4
191.00092	0.7
192.99451	1.9
195.01007	0.9
199.00473	0.9
199.02066	1.7
200.02829	1.7
201.02103	0.9
201.03624	9.1
201.99287	1.0
203.05115	1.1
207.01013	1.0
207.06375	0.7
208.99089	0.7
210.03354	0.9
215.03621	0.9
217.03392	0.6
221.02573	0.8
227.00104	0.9
227.03583	1.5
229.03088	0.9
229.05222	2.5
235.04300	0.7
240.04361	1.5
241.04962	1.3
243.03253	1.5
245.04686	8.0
247.44055	0.8
255.06529	0.7
263.05716	1.4
265.05283	0.9
266.05978	1.9
267.06668	4.7
268.06314	1.0
271.06274	2.3
279.06473	4.0
281.08322	100.0
282.08597	2.9
283.06299	0.9
284.07004	2.1
285.07797	4.8
286.89334	1.2
299.09384	42.3
300.09729	1.1
308.09253	1.1
310.08533	0.8
321.11368	3.2
322.10965	12.5
329.11929	3.0
331.17627	0.9
347.13019	9.1
350.94601	1.4
361.14722	1.1
363.28555	0.7
365.14047	2.2
379.15591	3.7
388.15439	0.7
397.16833	4.4
397.25577	1.0
398.10123	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78317	4.2
70.75579	8.2
70.75917	5.7
166.70821	4.6
172.61462	4.2
212.85307	4.2
337.09937	4.6
397.07462	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33065	1.1
55.01851	1.3
55.05505	2.6
56.96558	1.3
61.02938	1.1
67.05502	4.1
69.03424	3.4
69.07066	1.4
69.83804	6.1
70.06603	6.5
70.91375	1.2
72.08148	2.8
79.05496	3.3
81.03414	5.5
81.07034	5.4
82.06524	1.2
83.04985	1.4
83.08639	1.7
84.04494	1.5
84.08132	2.9
85.02894	4.5
86.09702	5.1
87.04459	1.3
91.03962	1.1
91.05467	14.4
93.07044	3.3
94.04182	3.6
95.04964	4.9
95.06081	1.3
95.08554	1.2
97.02883	2.1
97.06555	3.0
98.06027	2.4
103.05476	2.5
105.07009	3.9
107.04951	15.3
107.08595	3.5
108.05288	3.0
109.06484	2.8
109.10119	1.3
110.07178	2.2
115.05458	3.2
116.07070	1.3
117.07044	2.5
119.04921	6.7
119.08582	3.1
120.08103	2.7
121.06523	3.1
122.03646	7.1
125.05962	1.8
128.06187	4.4
129.07013	10.7
131.04929	3.3
131.08565	5.7
133.06493	1.7
133.10107	2.2
135.04446	1.7
135.08061	1.9
136.06210	2.1
136.07597	1.2
137.05968	100.0
138.06281	1.8
141.04073	1.3
141.06956	5.6
142.07748	2.6
143.08539	2.5
144.05684	2.8
145.06488	4.0
147.04395	4.0
149.05978	3.7
151.07536	11.9
153.05446	1.4
153.06989	3.2
154.07791	1.4
154.58243	1.2
155.08531	5.3
157.06491	4.0
157.10123	2.2
158.07277	3.8
159.08064	5.4
161.05974	13.0
161.09573	3.0
162.04077	5.3
163.07570	1.8
165.07005	5.2
167.08615	4.2
168.05643	1.5
169.03551	7.8
169.06508	2.8
170.07239	2.3
171.08064	5.0
172.08839	3.1
173.09535	2.8
173.64235	1.4
175.07533	4.4
175.11166	1.8
181.04980	6.9
181.06511	3.2
181.94460	1.1
182.07292	6.2
183.04588	1.8
183.08063	5.0
184.05196	1.9
184.08850	4.6
185.06010	2.9
185.09598	12.8
187.07507	7.7
187.11194	1.7
189.09172	3.9
191.07005	6.3
193.12325	1.9
194.07335	3.4
195.08054	2.2
197.05994	2.7
197.09605	9.8
198.06755	17.9
199.07500	11.5
199.11256	2.3
200.08354	3.0
201.09071	4.3
202.07829	1.7
203.08536	1.8
205.03413	1.1
209.09740	1.4
210.06812	4.3
211.07536	4.8
211.13329	3.4
212.08357	4.4
213.09090	24.2
214.09448	1.4
215.08759	1.9
215.10674	6.2
216.09375	1.5
217.08405	1.4
217.10246	1.5
217.15881	3.2
218.07253	1.7
219.08025	1.5
225.09114	13.5
226.09642	1.8
227.10655	2.2
229.08386	2.5
229.10362	1.4
229.16296	2.6
231.08020	3.0
231.10100	2.4
232.08896	1.7
234.06825	1.3
235.07552	1.8
235.16978	1.3
239.08492	1.2
242.07286	1.8
243.07990	1.0
243.10143	22.0
245.09612	3.5
245.11838	2.5
247.07440	2.2
248.08165	1.7
249.09148	2.5
255.10081	6.4
257.09692	3.9
258.06766	1.5
259.07553	2.1
259.11185	1.6
260.08273	1.7
261.09082	3.2
262.09946	1.8
262.89478	3.8
263.07034	1.8
263.10822	1.2
264.07843	3.9
265.08670	3.3
269.09918	1.5
271.07617	3.2
272.08432	1.2
272.18860	1.2
273.09067	2.5
273.11227	70.8
273.18973	3.9
274.11697	2.7
275.06873	1.7
275.10596	3.5
276.07840	2.6
277.08612	3.6
277.12006	2.5
278.09518	2.6
278.12558	3.9
285.09137	2.2
286.89371	2.2
287.07288	2.0
287.10522	1.8
288.07651	2.0
289.08606	4.9
289.11957	2.6
290.09402	2.5
291.10193	6.4
291.13147	1.3
292.07446	2.4
292.10886	2.2
293.08017	3.8
293.11816	3.3
301.08719	3.7
302.09534	2.6
303.10034	5.8
304.10852	2.2
305.08499	1.7
305.11633	5.8
306.08908	2.1
307.09656	10.0
307.12833	2.0
308.10419	3.9
309.11414	1.6
317.11734	4.4
319.09671	2.6
319.13315	2.4
320.10400	3.6
321.11136	8.3
322.11987	2.5
325.10831	3.1
329.11765	2.2
333.11267	5.1
334.11914	2.5
335.12857	6.9
336.13550	2.5
337.14371	2.1
339.12381	3.1
343.13980	3.9
344.96689	1.4
347.12799	1.9
349.14337	8.0
350.94839	5.4
351.12195	13.1
351.15887	1.5
353.13937	2.9
354.14618	22.3
361.14304	2.6
363.98340	3.2
364.13062	1.8
365.14035	2.0
366.14374	1.7
367.15500	5.1
373.96597	1.6
374.98007	8.6
379.15417	11.3
379.22940	2.0
388.95987	3.8
391.98599	1.5
392.99310	6.7
397.16528	93.9
397.99515	2.9
398.17090	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	396.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93641	0.7
55.01863	0.8
55.05496	2.8
56.05024	1.6
58.06577	1.0
62.05780	0.9
62.06083	14.9
62.19881	0.6
67.05487	2.8
69.03425	1.1
69.07048	1.7
70.06252	0.7
70.06572	4.3
70.66035	1.1
70.66418	1.3
71.04977	1.1
72.04507	6.2
72.08165	1.0
79.05499	4.7
80.04994	1.2
81.03395	2.1
81.07045	6.3
82.06551	1.0
83.04957	0.6
83.08598	1.2
84.04492	0.7
84.08125	0.9
85.02903	1.1
86.06055	1.2
86.09711	1.4
88.07614	1.8
91.05466	2.1
93.07027	2.9
95.04958	3.3
95.06053	1.6
95.08627	1.4
97.06516	2.6
97.10154	0.9
98.06038	2.6
99.49472	0.7
99.69850	0.7
100.03966	0.8
100.07609	3.1
105.04403	0.7
105.07040	1.7
107.04941	100.0
107.08592	2.1
108.05248	1.2
110.07134	0.9
112.07644	1.0
114.05533	1.0
116.07084	2.3
121.06517	0.8
121.10121	2.3
123.04390	1.0
123.08052	0.7
126.09095	0.9
129.10271	1.1
131.08545	1.0
133.10066	0.9
136.06174	11.1
138.12790	0.9
139.11186	1.0
148.06186	2.0
149.09673	1.2
150.07729	0.8
156.61179	0.6
180.08127	0.7
182.15421	2.8
184.13412	0.9
190.10851	16.3
192.13844	1.0
193.12238	2.0
199.13319	1.3
210.14867	26.9
211.13274	7.6
211.15080	1.2
226.18057	1.2
228.15918	42.7
229.16252	0.9
234.13470	19.9
234.15680	1.3
235.13774	1.1
236.16339	1.8
244.19086	1.6
246.16977	54.5
247.17436	0.9
254.17479	3.2
272.18536	66.2
273.18961	1.7
290.16400	1.6
290.19595	28.2
291.20056	1.0
315.15652	2.8
315.65814	1.3
320.32446	0.7
344.96716	0.8
352.22086	0.8
362.97781	2.1
367.98450	0.9
378.22485	1.8
390.97540	0.9
395.73596	1.5
396.16418	4.6
396.21790	0.6
396.24194	0.7
397.16998	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.6
55.05506	2.1
56.04997	0.5
56.87030	0.3
56.96539	0.6
57.03411	0.6
61.43752	0.3
67.05501	2.4
69.03415	0.7
69.07024	1.4
70.06587	2.0
70.64131	0.3
71.59956	0.5
72.08118	0.5
79.05496	2.3
80.05019	4.7
81.03387	1.3
81.07053	3.1
82.06544	0.8
83.04946	0.6
83.08584	1.0
84.04475	0.5
84.08161	0.5
85.02857	0.5
86.06032	1.4
86.09655	0.4
87.04464	14.8
91.05447	1.4
93.07038	2.6
94.06530	1.2
95.04930	0.4
95.07317	0.5
95.08601	2.5
96.08114	1.0
97.06473	0.7
97.10117	0.6
98.06049	3.0
98.09652	0.5
100.11219	0.6
105.07024	1.3
107.04953	2.3
107.08599	2.1
108.08141	2.2
109.06470	0.5
109.08918	0.5
109.10110	1.3
110.09651	1.4
112.07567	0.5
114.09126	0.4
119.08534	1.1
120.08062	0.4
121.06543	0.5
121.10119	1.2
122.09674	3.4
123.08050	0.3
123.10418	0.9
123.11621	0.6
124.07568	1.2
124.11200	1.0
133.10120	0.9
134.09683	0.4
135.11659	0.6
136.07565	1.1
136.11189	1.6
137.05954	0.5
138.12698	1.0
147.11647	0.5
149.09630	0.4
155.79648	0.4
159.11670	0.4
166.08627	4.7
176.10622	0.4
178.12158	0.6
180.10233	1.8
181.10936	1.0
182.11749	0.4
184.09674	1.2
184.13263	1.2
194.11749	3.8
195.12488	0.5
196.13321	0.7
204.13835	1.0
208.13321	4.4
209.14040	1.0
210.14871	1.0
218.15350	0.8
222.14812	1.8
224.16475	0.8
236.16443	1.5
246.18556	1.6
248.20111	3.1
250.18112	0.5
264.19598	2.7
266.21130	9.7
267.08994	0.4
285.10010	0.7
299.11749	0.5
300.05890	0.4
301.06082	0.9
302.06284	1.5
308.18494	1.7
316.22653	0.6
322.20068	1.8
334.23721	0.8
350.23282	1.0
350.94839	0.4
352.24805	100.0
353.25070	2.2
354.26468	0.7
379.16309	0.7
396.27435	99.7
397.22888	0.6
397.27640	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	396.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
53.52070	0.7
55.01866	1.4
55.05503	4.2
56.05021	1.9
56.43447	0.8
58.06597	1.3
60.04516	1.4
61.01780	0.7
62.06084	16.0
67.05502	4.8
69.03418	1.7
69.07072	2.2
70.06587	8.4
71.04981	1.7
71.59930	1.7
72.04512	7.4
72.08147	1.5
74.06081	0.9
79.05490	5.8
79.05874	1.1
80.05009	1.5
81.03415	4.7
81.07057	6.6
82.06547	2.1
83.04968	2.8
83.08600	2.1
84.04489	1.1
84.08128	1.7
85.02884	2.4
86.06048	2.2
86.09714	1.6
88.07611	2.1
91.05473	3.7
93.07042	5.2
94.06537	1.6
95.04945	3.2
95.08601	4.8
96.04512	0.9
97.06510	4.1
97.10143	2.0
98.06039	2.9
100.04010	0.7
100.07601	5.4
105.06998	2.4
107.04947	100.0
107.08569	2.7
108.05297	3.0
108.08101	1.1
109.02844	1.0
109.06526	0.8
109.10150	1.0
114.09136	1.3
116.07083	2.7
119.08560	1.8
120.08102	0.9
121.06469	2.8
121.10103	2.8
122.06042	0.9
122.09627	0.9
123.04391	1.6
124.07553	1.1
129.06987	1.0
131.08504	1.1
133.06479	0.9
133.10138	1.2
134.09592	0.9
136.06160	1.5
136.07520	0.9
137.05959	2.3
138.12779	1.0
141.07002	0.9
147.11673	1.3
149.09602	2.4
152.05672	1.9
157.10162	1.2
162.04080	1.2
166.08618	1.6
168.10321	1.1
175.11191	1.7
178.07236	2.0
182.15347	4.3
184.13307	0.8
190.10826	1.5
192.13789	1.2
193.12247	4.4
198.14818	1.6
210.14873	21.5
211.13301	10.3
212.16463	1.6
226.14421	0.9
226.18030	2.4
228.15944	42.6
229.16222	2.2
234.13568	1.4
236.16431	1.2
237.02858	1.0
244.15341	0.9
244.19112	2.4
246.17000	11.9
254.17480	8.4
258.17035	11.2
272.18546	87.4
273.13135	4.4
273.18848	3.6
290.19507	5.2
334.98544	1.1
344.96979	4.1
362.97940	9.0
363.98141	1.4
367.98294	0.9
372.96548	2.5
378.22754	31.0
378.27457	1.7
379.23044	1.8
386.95898	1.4
390.97726	3.6
391.98914	1.0
395.99164	1.0
396.22937	1.2
397.16327	1.6
414.27841	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.2
56.96552	3.9
57.07069	19.0
61.02905	1.1
67.05495	4.6
68.20934	1.3
69.03403	1.6
69.07053	5.0
69.34116	1.3
69.34415	12.5
70.04074	4.8
79.05482	4.5
79.11298	1.2
81.03392	2.2
81.07037	5.0
83.04932	1.5
86.06059	2.4
86.09685	6.5
91.05450	3.2
93.07030	5.2
95.04919	1.6
95.08626	2.2
96.05606	3.5
97.06532	1.8
105.07046	1.3
107.08570	1.9
109.07630	1.8
110.07176	1.9
111.07919	8.0
112.12067	1.2
115.07500	1.4
119.08489	2.1
121.06421	2.8
124.99997	5.0
133.10130	1.4
136.08684	60.9
138.10243	3.1
143.08591	1.2
146.24306	1.2
148.56696	1.1
152.08182	2.0
154.09735	100.0
155.10045	1.3
158.97609	7.7
171.11656	1.8
184.07314	17.5
197.23781	1.3
231.08992	1.9
269.10483	2.4
281.10651	3.3
287.11642	2.1
299.11661	2.3
316.81656	1.2
322.79123	1.3
370.21637	1.3
396.00540	3.4
396.16547	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	396.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.05492	4.3
56.96539	2.9
57.07070	28.9
60.04514	2.0
61.02909	1.8
64.94440	0.8
67.05492	6.1
69.03402	1.1
69.07059	100.0
70.04082	5.6
70.06571	1.7
70.07832	3.2
71.04989	1.3
71.60427	1.3
76.02368	0.8
79.05477	3.8
81.07036	6.1
82.06579	1.1
83.04917	0.9
83.08595	2.6
85.02880	1.7
85.06506	1.8
87.85145	0.7
88.03913	0.8
91.05456	3.2
93.07040	3.7
94.51537	0.9
95.04954	2.4
95.08596	4.8
96.05608	6.8
97.06466	2.1
97.10159	1.2
97.58870	0.7
98.03499	1.2
98.99980	1.9
100.05082	3.0
103.03129	1.2
103.55802	0.8
105.06987	2.7
106.05001	3.1
107.04926	1.3
107.08559	3.1
107.55025	0.8
108.05603	1.5
109.06473	1.0
109.07609	1.7
109.10133	3.6
110.06038	1.8
110.07105	1.1
113.01534	2.0
114.06612	0.8
115.07552	9.1
119.08546	2.3
121.06389	3.9
121.10119	1.9
123.08012	0.9
123.11646	1.6
124.08698	54.3
126.99438	7.9
129.01022	15.6
131.08577	1.0
133.10138	2.1
134.07133	2.2
135.11652	1.5
136.07692	1.0
136.08682	26.6
137.09477	2.8
138.10286	0.9
141.01010	17.8
147.11638	1.9
148.08582	0.8
153.04489	1.0
154.09734	19.1
154.10902	1.6
155.02577	7.7
161.09515	1.7
161.13234	1.0
164.08212	4.6
166.09671	1.5
166.12158	0.9
171.11696	1.0
176.08165	1.5
182.09254	2.7
184.07260	1.7
192.15022	1.0
194.09198	1.5
197.07262	47.7
212.10205	1.1
220.14400	5.0
221.15178	1.5
222.16057	0.9
224.16418	1.3
225.06766	1.8
238.15486	5.0
250.15520	6.5
262.89563	0.9
268.16531	5.7
283.08798	1.3
285.10162	1.2
290.20731	1.0
299.11615	1.0
319.10931	0.8
322.23737	1.1
327.13724	0.9
331.15802	1.5
333.17896	0.8
348.14697	56.3
349.16638	3.2
350.94662	2.0
360.14505	1.6
360.28949	1.2
367.17987	1.8
372.18710	1.2
378.15781	39.3
378.25873	1.3
378.30051	2.6
396.16800	86.9
397.17273	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38168	3.0
55.05497	11.0
57.07068	10.0
58.88613	3.8
60.68433	3.1
67.05516	9.1
69.07078	17.7
70.95251	4.2
70.95580	6.9
71.08620	8.7
73.33378	3.3
75.21520	3.5
79.05476	8.3
81.07075	28.3
83.08611	13.4
85.10169	2.9
91.05477	16.0
93.07040	14.0
95.08614	24.3
97.10132	5.4
102.44307	3.4
103.71864	3.0
105.07013	18.7
107.08601	16.4
109.10152	19.2
111.11739	4.6
119.08570	12.4
121.10134	13.8
121.58344	3.0
123.11700	3.9
128.05005	3.2
131.08588	10.4
133.10120	12.2
135.11681	13.2
143.08575	5.3
145.10127	19.7
147.11682	12.5
149.13287	6.3
159.11687	25.7
161.13260	10.9
173.13272	14.4
175.14822	7.3
185.13182	7.1
187.14857	11.3
189.16360	8.7
199.14735	7.7
201.16417	8.9
203.18071	3.7
213.16322	6.6
215.17961	9.5
227.17902	9.4
241.19572	10.0
255.21104	9.7
269.22632	6.2
275.62323	3.2
280.28961	4.4
283.24048	9.0
285.25790	4.9
297.25751	15.8
299.27499	5.0
313.80920	3.3
327.81290	3.4
395.36725	100.0
396.37024	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.0
55.01863	8.0
55.05496	3.6
56.05028	4.1
56.96560	4.9
57.03434	5.5
57.07083	2.1
57.07385	1.8
57.95642	1.8
58.68907	2.0
58.83285	2.3
61.01113	2.6
61.02922	5.0
63.51534	2.0
67.05498	2.4
68.99783	2.1
69.03426	30.7
69.07057	2.2
70.06594	18.1
70.88547	3.9
70.88888	3.4
71.04992	6.3
72.08149	7.1
73.02916	12.0
74.06071	2.4
75.59187	1.9
81.03417	29.9
84.04514	3.6
84.08136	8.4
85.02901	100.0
86.09698	6.1
87.00827	39.4
90.05533	2.1
91.03938	2.4
91.05487	3.4
91.42043	2.0
95.04964	3.9
95.06062	2.5
97.02888	45.7
98.97588	5.7
99.04442	15.7
99.92618	2.5
105.01862	63.7
105.04234	2.2
105.07015	2.3
107.04956	17.7
109.02879	34.1
109.06474	2.2
110.07136	3.0
116.07068	2.6
116.98633	6.9
117.01859	3.8
119.04952	3.4
120.08109	5.9
127.03917	74.6
129.01837	4.8
129.10306	3.3
131.07103	2.7
134.06047	7.6
134.99692	3.0
136.07578	5.2
137.06012	2.4
145.04947	32.5
147.02890	2.9
147.04407	9.0
149.08493	1.8
152.74707	1.9
159.02893	20.6
163.03949	3.8
173.12827	2.4
177.05544	2.5
193.81288	2.0
204.06676	4.2
206.64435	2.0
213.04030	4.1
231.04976	23.2
234.13425	6.8
249.06021	4.7
262.89291	2.4
396.13098	2.8
397.07678	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	395.3306
Annotation	14-Dehydroergosterol
Peak:m/z	Relative Intensity
55.05494	7.9
57.07071	21.6
67.05490	7.1
69.07065	100.0
69.87827	1.7
71.08630	2.2
71.58913	2.0
79.05485	5.2
81.07063	14.4
83.08614	27.8
85.44639	1.9
91.05476	4.1
93.07063	4.5
95.08585	9.7
97.10178	2.4
105.07009	3.9
107.08583	7.6
109.10137	7.2
119.08588	4.0
121.10169	4.2
122.22121	1.9
123.11684	3.6
125.13248	9.6
131.08554	4.3
133.10100	4.6
135.11647	2.0
143.08582	4.1
145.10136	6.0
155.08549	4.8
157.10085	10.3
159.11703	7.6
160.26428	2.0
167.08594	3.0
169.10103	6.2
171.11667	7.5
173.13280	3.3
183.11708	6.5
185.13251	5.1
187.14726	2.3
195.11725	7.1
197.13318	5.1
199.14833	7.9
209.13248	5.5
211.14769	10.8
213.16415	4.8
215.14264	2.3
223.14781	4.7
225.16472	2.9
231.17455	3.6
237.16261	5.1
240.90643	2.0
241.15836	2.4
251.17894	10.1
253.19543	6.3
269.19009	3.8
269.22452	2.2
271.20462	2.8
293.22617	10.6
307.24152	5.3
311.23679	7.4
377.31982	16.6
395.32828	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	395.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.8
56.96570	1.0
57.07061	1.2
65.03929	1.3
67.05507	35.2
69.07067	5.4
71.59531	1.8
72.08154	2.4
73.39146	0.8
77.89434	0.8
79.05493	6.2
81.07065	14.7
83.04961	2.6
84.08147	1.5
86.09715	1.8
91.05476	3.9
91.57014	1.0
93.07040	9.2
95.04952	1.3
95.08607	5.0
97.06535	1.0
105.07034	6.0
105.08130	1.0
107.08601	14.0
109.06506	1.1
109.10159	100.0
110.10513	2.2
111.77237	1.0
119.08572	4.2
121.06529	5.0
121.10152	7.4
123.11682	1.1
129.06992	1.4
131.08580	3.2
133.06535	1.4
133.10193	1.6
135.08072	5.3
135.11713	4.1
143.08553	2.0
145.06461	1.1
145.10126	4.0
147.08031	1.8
147.11691	3.0
149.13284	6.6
157.10213	1.6
159.08051	12.1
159.11722	2.3
161.09613	1.3
163.11206	1.2
163.14827	4.6
171.11623	1.3
173.09599	2.7
173.13239	1.2
175.01630	1.5
175.11224	4.2
183.11772	1.4
185.09558	1.1
185.13301	2.7
187.11285	1.9
197.13252	1.5
199.14841	2.6
201.12759	13.5
202.13174	1.4
209.13245	1.4
215.14294	5.2
219.13882	2.5
227.14365	2.5
229.16081	1.2
233.15353	5.0
241.15874	1.3
245.15440	3.4
247.16969	3.1
259.16907	1.1
283.20615	1.7
287.20096	9.5
313.21750	4.2
331.13159	2.0
339.23251	7.4
377.28543	4.0
395.25064	2.3
395.29517	32.7
395.34479	2.0
396.29953	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.331
Annotation	14-Dehydroergosterol
Peak:m/z	Relative Intensity
55.05506	40.5
57.07083	20.1
67.05492	35.8
69.07070	59.8
69.56973	21.5
69.57399	34.7
71.08633	11.1
79.05494	24.8
81.07053	100.0
83.08624	45.2
85.10207	8.1
91.05499	17.4
93.07055	31.7
95.08614	71.8
97.10149	20.7
99.96072	7.8
102.16959	8.3
105.07029	32.5
107.08603	28.6
109.10152	38.0
117.07006	15.5
119.08609	13.8
123.11709	28.9
129.06993	14.7
131.08569	19.2
133.10110	18.6
135.11667	12.4
137.13210	11.9
142.07747	17.9
143.08572	26.0
145.10121	22.7
147.11723	10.3
155.08563	26.1
157.10124	50.9
159.11714	41.4
161.13202	14.4
167.63300	7.9
169.10136	31.9
171.11694	32.9
173.13222	13.6
177.16338	9.6
181.10205	10.7
183.11707	41.0
185.13257	33.6
187.14874	11.4
195.11664	19.9
196.12375	10.1
197.13289	48.4
199.14749	49.1
209.13290	28.0
211.14857	63.3
213.16406	24.3
223.14830	11.6
225.16437	34.4
227.17888	12.1
229.15880	13.8
231.17546	11.2
237.16461	24.1
239.17867	27.6
251.17961	33.6
253.19524	28.6
269.19083	10.4
269.41245	7.9
279.21103	22.1
281.22629	8.3
293.22675	32.5
297.22040	11.4
311.23599	20.3
377.31946	77.3
378.32486	10.6
394.38358	9.7
395.32971	91.2
395.36734	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	395.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	0.4
56.96570	0.6
69.20129	0.4
70.06592	4.5
70.83026	0.6
72.08158	1.9
74.06068	0.4
81.07059	0.5
84.04499	1.5
84.08143	2.9
85.02891	1.1
86.09678	1.1
88.10440	0.3
91.05464	1.1
95.04971	0.5
97.02836	0.5
102.05576	0.5
107.04969	2.7
108.08093	0.4
110.07168	0.6
119.04936	1.7
120.08111	1.0
121.02854	0.3
123.04443	0.4
129.10237	1.1
133.06467	0.3
134.06044	0.7
134.99651	0.4
136.07510	0.7
145.02858	0.4
147.04407	3.6
148.04802	0.5
151.03877	1.8
154.12566	0.3
161.05957	0.7
163.03831	0.6
166.09590	0.4
176.07083	0.4
176.98329	0.4
177.00586	0.5
177.05577	0.4
185.04216	5.5
194.99469	0.6
201.05302	0.4
201.07423	0.4
204.06543	0.4
217.04744	1.2
220.97394	0.9
232.07071	11.1
233.07825	9.6
233.10031	0.6
238.98492	0.8
289.05313	0.8
364.11240	1.6
365.11685	0.5
395.13132	100.0
396.13474	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	395.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09388	1.1
52.17327	1.2
56.25960	1.3
56.96544	4.5
57.03426	1.4
69.03411	2.2
70.06579	3.5
72.08123	1.3
73.25304	1.1
74.06090	1.5
81.03410	1.6
84.08137	2.2
93.22308	1.3
97.02885	1.4
98.97580	2.3
107.04966	5.6
109.02795	1.5
116.98624	2.0
119.00147	1.3
119.04934	1.4
120.08087	1.6
122.06005	1.3
123.04424	1.5
127.03864	1.6
133.06487	2.7
134.06029	1.5
134.99680	1.3
138.05428	1.5
142.34329	1.3
147.04387	2.2
152.07089	2.9
162.04112	5.0
163.02711	2.3
163.03903	3.5
177.00728	2.5
184.92462	1.2
185.02171	1.5
204.71733	1.5
213.04355	1.9
214.89700	1.3
229.72400	1.7
233.02750	11.2
233.06723	1.6
234.99075	2.8
239.02242	3.8
246.72835	1.3
251.08293	1.9
257.03287	2.5
263.08810	4.3
289.25473	1.6
395.05798	2.9
395.13092	100.0
396.13290	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	31.9
66.20851	2.4
68.96589	2.4
70.06583	7.4
70.44801	8.1
74.97620	5.7
84.08126	8.9
84.96009	2.6
86.09720	4.1
98.96931	5.4
98.97578	96.6
101.00883	6.4
107.04963	6.6
110.97578	12.5
116.98617	81.7
119.01919	28.5
127.00623	12.9
128.98607	26.4
131.01917	4.7
132.98109	12.8
133.01721	6.6
134.99660	38.6
136.07602	4.7
137.02904	6.4
143.01927	8.3
145.01715	59.2
145.03409	3.7
146.99591	14.8
147.05016	12.1
149.01277	3.3
150.99144	24.9
153.00684	6.2
153.03976	3.7
155.01889	3.6
158.99669	21.2
159.00813	2.5
159.01451	2.9
161.02928	13.7
163.02786	75.2
165.00662	3.6
165.06053	4.6
169.00186	9.1
170.99716	4.8
171.05009	48.3
173.02937	3.5
174.99159	13.6
177.00714	34.1
177.02414	10.2
181.03856	14.7
187.02782	53.7
187.04338	5.4
189.00717	11.6
189.06094	39.0
191.02295	4.1
193.00194	46.8
195.01775	4.4
201.02455	3.2
203.04037	3.8
204.47289	3.0
205.00174	11.6
205.03830	100.0
205.05498	6.3
207.01738	5.4
211.01324	9.9
217.00220	7.1
217.03810	7.0
219.01724	10.0
219.03575	5.3
221.05101	4.0
223.01279	4.8
223.04919	6.6
231.07146	22.2
233.03290	16.9
235.01213	8.7
237.02821	20.2
245.03398	4.4
247.04788	44.7
251.04375	11.9
255.03813	4.0
261.08414	3.4
263.04327	6.7
275.04199	17.1
277.02258	7.1
277.05914	5.9
280.44202	2.9
281.05304	3.4
293.05392	3.0
295.03400	18.8
337.09763	6.3
370.89117	2.6
395.20435	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.0
55.05497	3.0
56.05016	3.0
56.96333	1.6
56.96564	19.4
58.06606	2.4
67.05507	1.6
68.05028	1.6
69.03426	2.1
69.07053	2.1
70.06590	24.9
70.34473	1.7
72.08148	14.5
74.06084	1.6
79.05502	3.5
81.07056	4.9
82.06554	1.8
84.04494	4.6
84.08140	18.6
84.96029	9.4
86.09702	15.4
87.05595	1.8
88.03971	1.7
91.05457	7.7
93.07030	1.9
97.96828	3.2
98.06025	2.2
98.09702	2.2
98.97590	29.6
102.05508	1.5
103.05438	2.1
104.10725	1.7
107.04947	5.4
107.08597	1.9
110.07183	6.0
110.97569	4.6
112.11262	8.0
112.99146	1.7
115.97796	3.2
116.98621	27.7
120.08094	8.9
121.06504	1.7
128.98616	15.9
129.10258	6.8
129.13882	1.6
131.00157	3.0
134.99698	16.4
136.06229	1.7
136.07573	3.3
143.00194	2.5
146.99670	14.5
147.04396	1.9
149.01207	4.9
153.00652	2.0
158.99620	8.3
159.09232	1.6
161.01222	6.5
162.99115	3.0
165.00739	2.8
170.99654	6.2
173.01215	2.5
176.09305	1.9
177.00734	10.6
179.02278	2.9
183.03329	2.6
184.07301	3.0
189.00729	6.1
191.02263	2.1
195.01776	3.4
207.03288	10.9
219.01738	11.0
221.66980	1.6
224.16415	5.3
225.04349	8.3
237.02818	39.3
249.04247	2.5
255.03911	3.4
260.04547	2.3
309.06384	18.3
324.26346	1.7
327.07520	100.0
328.07629	1.8
343.24319	1.9
350.09082	7.5
369.08664	7.2
395.07266	4.9
395.16812	2.7
395.21594	16.0
395.26605	2.4
395.29156	1.8
395.33716	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	395.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	16.1
57.33280	10.6
64.95847	11.7
69.35796	100.0
76.39403	10.3
87.16086	11.5
98.21465	18.1
101.00883	16.1
119.01926	27.2
143.01917	15.3
161.02997	22.4
163.03917	16.1
169.03487	15.6
187.04526	27.4
213.30818	11.3
231.03467	13.8
233.02632	28.1
239.02367	13.7
275.02502	36.8
293.03470	26.4
395.09805	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	395.0581
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	4.3
62.23705	1.1
68.32801	1.2
69.03423	2.8
70.06577	3.6
70.83988	3.8
71.55207	1.1
72.93772	1.4
74.06078	1.7
84.08144	6.2
85.02893	1.4
86.06022	1.2
89.03911	3.8
97.02864	1.6
98.97598	1.4
103.04539	1.6
107.04942	4.1
116.98596	2.6
117.03374	4.8
120.08107	1.6
127.03919	2.6
128.98576	1.4
129.10246	2.0
129.11977	1.5
133.06456	2.0
135.04413	11.4
145.02850	8.1
147.04385	3.0
162.04094	3.7
163.03896	42.2
176.98424	1.3
185.02127	15.1
213.04305	2.0
215.01642	2.0
221.03026	5.9
233.02666	100.0
234.99002	1.7
239.02177	2.6
240.68248	1.3
257.03485	2.8
263.08780	2.8
281.05350	1.6
377.04333	2.2
395.05823	36.8
395.13647	1.6
417.81763	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15442	1.3
56.05040	4.1
56.82357	1.3
56.96289	1.9
56.96564	25.6
57.03437	1.7
58.99867	1.9
60.04526	3.1
60.05647	2.3
66.46871	1.3
68.05039	1.7
70.06592	37.9
71.04986	2.1
71.57273	2.7
72.08150	8.3
73.02921	1.6
74.97583	4.0
77.00907	5.2
78.40150	1.4
78.42853	1.3
81.03408	1.6
82.06616	1.6
82.64100	1.6
82.99853	2.6
84.04505	7.1
84.08144	36.3
84.96020	1.9
85.02920	2.9
85.08448	1.8
86.06114	1.5
86.09708	4.6
87.05593	2.3
88.03998	1.5
92.98641	1.5
95.01961	3.2
97.02882	1.7
97.04023	2.6
98.09687	2.8
98.97583	62.7
101.00880	13.5
102.05524	3.4
103.02419	2.7
104.05292	1.5
107.04923	11.2
110.07164	8.5
110.97596	6.9
112.05121	1.5
112.08710	3.0
113.00883	2.9
114.97042	1.8
115.08695	2.3
116.07065	3.0
116.98618	59.1
119.01920	82.2
121.01669	2.4
121.03502	1.8
123.63818	1.3
127.00655	7.7
127.03978	1.8
128.98586	13.8
129.03954	3.2
129.10229	13.1
130.08679	1.7
131.00194	1.8
131.01912	18.3
132.98149	2.6
133.01727	3.1
133.03448	5.8
134.99655	39.4
135.01363	4.0
135.03206	2.0
135.05032	2.6
136.07565	5.9
137.02954	18.5
139.06137	21.4
142.03552	1.7
143.01892	22.4
143.05644	2.4
145.01717	37.2
145.03447	19.8
146.99644	17.2
147.01355	2.6
147.03220	2.0
147.05026	36.0
149.01202	2.3
149.02977	7.2
149.04755	2.0
150.99149	13.4
153.00716	6.4
153.02496	7.1
153.03975	5.8
155.01895	7.9
157.03456	8.6
158.01215	2.6
158.99667	15.6
159.01328	3.0
159.05005	6.8
161.01144	2.5
161.01392	2.7
161.02951	41.2
163.02783	77.2
163.04474	7.0
165.00748	6.7
165.06075	13.6
167.02103	1.5
169.00203	7.0
169.03476	6.6
170.99651	4.2
171.05026	100.0
172.05362	1.9
173.02965	15.4
173.04408	2.7
174.99159	5.6
175.02785	2.7
175.04549	5.9
175.11963	2.5
177.00717	30.9
177.02446	24.4
177.06058	2.1
179.02429	1.7
181.03802	15.2
183.05125	1.7
184.04546	1.8
185.02985	4.2
186.04344	2.5
186.99120	2.6
187.02795	45.8
187.04521	17.5
189.00699	9.2
189.02451	7.9
189.06079	87.3
190.06233	2.2
190.98708	3.0
191.02281	1.8
191.04089	3.3
191.05907	2.3
193.00217	28.4
194.06644	2.5
195.01689	4.2
195.03340	2.2
199.04510	6.7
200.04056	2.4
201.02451	4.2
201.06122	5.7
203.03938	11.1
205.00058	7.7
205.03854	78.7
205.05606	14.2
207.01796	3.6
208.99669	1.6
211.01259	5.5
212.07622	5.4
213.02496	2.7
217.00230	5.4
217.02048	2.4
217.03856	3.4
217.05714	2.4
219.01726	5.9
219.03552	8.9
221.05029	12.5
223.04904	6.4
228.05377	4.5
231.03598	7.0
231.07111	28.1
232.14107	2.1
233.03360	6.6
233.10390	2.1
235.01216	4.1
237.02773	13.5
239.06140	8.2
242.99757	1.7
243.03470	2.9
245.05095	6.0
247.04694	29.9
247.06738	6.1
251.00774	6.3
251.04378	6.4
255.03735	8.1
261.08249	3.7
263.04453	2.1
275.01825	7.1
275.04529	7.8
277.02127	1.8
279.05621	8.4
279.09253	4.1
287.02521	8.8
287.05206	1.5
291.09238	3.9
293.03421	2.2
295.03345	5.6
303.01801	3.1
337.06061	2.9
337.09668	7.1
395.09369	3.3
395.20581	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	394.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
55.01867	0.3
55.02963	0.2
55.05490	0.8
56.02861	0.2
56.05023	0.2
57.04566	0.2
58.71653	0.2
59.04982	0.3
61.02926	0.3
67.05505	1.3
68.05021	0.2
69.03391	0.2
69.07048	0.4
69.60358	1.7
69.78989	0.2
70.06581	1.6
71.04985	0.6
72.08125	0.6
79.05482	0.8
81.03410	0.9
81.07048	0.9
82.04091	0.3
84.04473	0.3
84.08125	0.8
85.02857	0.4
86.09702	0.3
87.04440	0.2
91.05482	1.4
92.18518	0.2
93.07030	0.9
94.00225	0.2
94.04048	0.8
95.04971	1.0
95.08620	0.4
97.06503	0.4
105.06992	0.5
107.04936	3.7
107.08593	0.4
108.05565	0.5
109.05116	3.4
112.05055	0.3
112.08734	0.2
118.06584	0.3
119.03458	0.2
120.08099	0.8
121.06470	0.5
122.09731	0.2
123.06667	0.6
130.06499	0.3
131.04893	0.3
131.08516	0.3
133.05081	3.1
135.05379	0.4
135.07999	0.2
137.04541	0.2
137.06055	0.3
145.06549	0.2
146.09633	0.3
150.07738	100.0
151.08180	1.0
161.05978	0.4
164.07043	0.2
166.07231	1.1
174.06369	0.3
190.08694	0.4
212.10701	0.3
215.62715	0.2
222.57100	0.2
226.49625	0.2
230.15504	0.3
270.17014	0.7
271.12009	0.3
272.12756	1.5
274.15198	0.5
274.17957	0.3
275.00452	0.2
275.03668	0.3
286.18030	0.5
296.50595	0.3
302.14655	0.7
302.17566	1.8
304.19086	0.5
305.01071	0.2
344.20908	0.4
350.19797	0.5
357.77817	0.2
362.21838	37.9
363.22015	1.0
364.18372	0.7
376.17987	0.4
376.21353	0.8
394.24515	36.8
395.16458	0.3
395.24661	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06536	4.8
54.95447	6.0
55.05515	8.9
55.25018	3.9
55.85007	4.0
61.02908	5.2
62.64510	4.4
64.07274	4.3
67.05498	15.3
67.65692	4.3
69.03420	9.3
69.07058	10.1
69.53029	29.0
69.53435	9.4
70.06596	13.3
72.08143	6.7
74.27378	4.1
79.05494	13.4
81.03417	31.8
81.07076	22.5
82.06538	5.5
83.04974	8.7
83.08596	8.0
84.08150	10.5
85.02909	9.9
86.09726	4.8
87.04470	8.3
91.05472	26.0
93.07017	10.3
95.04976	9.5
95.08612	7.4
103.05443	11.3
105.07012	22.9
107.04949	54.1
107.08580	6.9
108.05286	5.1
109.10126	6.9
119.07304	8.4
119.08566	7.4
120.08101	100.0
121.02946	10.3
121.08420	4.7
121.10125	5.0
129.06975	10.5
130.06546	9.7
131.04929	8.3
131.08574	6.1
132.08127	7.9
133.10100	8.9
135.62386	4.8
139.67171	4.3
147.11745	5.8
149.09610	5.7
150.07759	18.4
152.05608	5.3
166.07253	11.4
166.08606	67.0
167.05841	4.7
175.11221	9.1
186.20932	4.2
193.12230	23.1
211.13315	49.8
212.10703	10.0
213.11096	5.0
227.12538	14.1
258.18484	6.7
267.71402	5.3
268.17020	5.4
271.12064	18.8
272.12402	34.5
286.17941	34.6
288.13724	5.8
290.21185	5.8
298.20001	6.0
299.05411	14.5
300.05682	41.5
304.19049	51.6
330.20660	8.5
332.18607	15.7
350.19583	17.6
358.20316	5.3
376.21085	18.5
394.10086	53.2
394.18311	11.8
394.26154	56.3
408.35083	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	394.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.3
55.01870	7.8
55.05507	16.2
56.05015	2.7
56.96561	14.2
57.03426	9.3
57.34536	2.9
61.02919	7.1
67.05496	14.2
68.99773	3.0
69.03426	34.3
69.06717	4.6
69.07066	67.0
70.06577	8.7
71.04981	10.1
71.59425	2.2
72.08150	3.9
73.02912	5.7
79.05470	12.4
80.04993	3.4
81.03419	27.9
81.07053	23.9
83.04992	5.6
83.08611	6.3
84.04479	7.2
84.08138	5.2
85.02899	76.1
85.06529	8.6
85.50112	2.2
86.06057	3.9
86.09695	7.2
87.00830	24.7
87.04465	8.1
91.04003	2.8
91.05480	12.2
93.07047	15.9
94.06570	3.4
95.04962	7.9
95.06088	4.0
95.08594	20.8
97.02893	29.3
97.06512	5.2
97.10174	6.2
99.04450	10.1
99.08090	4.5
102.05563	6.9
103.05414	3.0
105.01857	26.2
105.07048	14.6
107.04953	55.5
107.07346	3.1
107.08601	10.1
108.04582	4.4
108.05251	15.9
108.08128	4.3
109.02860	24.9
109.06528	5.6
109.07345	2.4
109.10174	7.4
110.06035	4.1
111.08070	18.2
111.11694	11.8
115.03890	4.7
117.06995	2.8
117.27518	2.4
119.08585	13.0
120.08109	9.9
121.02879	12.6
121.06516	8.9
121.08396	4.1
121.10141	8.5
122.03223	6.1
123.04472	3.3
123.11684	4.6
124.07610	2.7
124.14127	2.7
127.03909	43.3
129.12767	11.3
131.08514	4.3
133.10114	12.6
134.05972	3.1
134.09645	3.5
134.99704	3.4
135.08041	4.6
135.11723	7.1
136.07591	3.4
137.13370	3.7
139.07544	5.7
139.11128	4.8
141.01778	3.5
141.12750	6.2
145.04932	16.7
145.10088	5.7
147.04378	3.1
147.11736	3.4
149.09537	2.8
152.07059	5.3
159.02910	10.0
159.11714	4.6
161.13269	13.4
166.08598	3.2
169.12204	3.8
179.10504	3.6
179.14322	15.2
180.10258	3.1
184.13370	8.2
192.13890	2.9
193.12212	4.5
197.07986	2.9
197.15320	6.9
211.13318	10.6
212.10538	4.4
213.03940	2.4
213.11104	5.7
219.13751	8.6
226.12256	6.6
227.12210	11.4
228.12141	10.5
231.05093	8.1
237.14774	7.3
245.09094	2.4
246.08784	5.0
264.09805	3.2
271.11899	19.9
272.12378	40.9
273.12598	2.9
284.09085	3.7
287.13937	14.7
288.14227	27.9
290.21100	4.1
299.05435	22.0
300.05841	64.0
300.11481	3.6
323.14902	13.5
350.23257	13.4
358.46527	2.9
376.24927	6.5
394.10309	6.4
394.18393	29.2
394.25739	100.0
394.30682	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	394.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.2
53.03925	0.7
55.01859	0.3
55.05502	0.6
55.43285	0.2
57.07068	1.8
67.05477	0.7
68.05016	0.5
69.03413	0.3
69.07064	5.4
70.04054	0.7
70.06607	0.4
70.07827	0.4
71.59769	0.4
77.03934	0.2
79.05489	2.2
79.17309	0.2
81.03426	0.3
81.06631	0.2
81.07048	0.9
83.04964	1.2
83.08603	0.2
85.02871	0.2
87.04465	1.9
91.03946	0.3
91.05480	0.7
93.07037	0.8
95.04953	2.3
95.08583	0.3
96.08116	1.5
97.02880	0.2
98.06037	0.2
98.99975	0.4
105.04503	0.6
105.07014	0.8
107.04942	100.0
107.08598	0.6
108.05241	1.7
108.08100	0.6
109.10127	0.5
110.07251	0.2
114.02989	0.4
115.07546	0.8
119.08595	0.6
121.02811	0.3
121.06478	0.9
121.10125	0.4
124.08675	0.3
126.99466	0.4
129.01039	0.6
133.10155	0.5
135.11650	0.2
136.07553	0.4
141.01016	0.7
147.11687	0.2
148.07518	0.2
149.02295	0.2
152.08170	4.2
158.88934	0.2
158.97638	0.3
159.10251	0.2
164.10701	5.3
164.11972	0.4
168.11299	0.3
177.00745	0.3
182.11751	23.3
183.12137	0.4
193.05084	0.2
194.11809	0.3
197.07248	2.5
200.10648	0.3
225.12675	0.2
266.14856	1.1
272.12692	0.4
274.21664	0.3
286.14206	1.0
287.14801	0.3
288.15918	22.5
289.16321	0.9
338.22861	0.2
353.20169	0.4
364.14169	0.9
377.08960	0.2
379.17651	0.2
392.15268	0.2
394.20279	5.8
394.30002	3.7
394.34705	0.5
395.20331	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.201
Annotation	Korupensamine D
Peak:m/z	Relative Intensity
51.02372	0.2
52.93006	0.2
53.03932	0.8
55.01859	0.3
55.05519	1.1
56.96544	0.3
57.07066	0.4
67.05490	1.9
68.05016	0.3
68.05833	0.2
69.03418	0.3
69.07066	2.2
69.70922	1.1
70.07387	0.4
79.05486	2.1
81.07051	1.9
82.07391	0.5
83.08611	0.7
84.08104	0.3
84.08960	0.3
85.02879	0.3
87.04456	1.8
91.05491	0.8
93.07032	1.1
95.04954	2.0
95.08604	2.0
96.05360	0.2
96.08120	1.6
96.08922	0.5
96.29098	0.2
105.04510	0.4
105.07027	0.9
107.04946	100.0
107.08576	0.6
108.05260	1.3
108.08122	0.5
109.06499	0.6
109.10136	0.8
110.10469	0.3
116.98640	0.4
119.08592	0.5
121.06483	0.3
121.10125	0.5
123.11662	0.2
125.09580	0.3
131.67232	0.2
133.10085	0.3
134.99739	0.4
136.07574	0.6
147.11700	0.3
149.13220	0.3
158.97635	0.3
160.07576	0.3
160.97382	0.3
162.13669	0.2
164.10710	6.1
168.06500	0.3
173.95279	0.2
180.10254	0.3
182.11755	21.4
194.08095	0.4
194.11818	0.5
194.85565	0.2
200.10820	0.2
202.12372	0.6
230.15407	0.3
238.11052	0.4
266.24756	1.8
267.25061	4.4
274.21756	0.2
284.36502	0.2
286.14377	0.6
287.14676	0.3
288.15924	24.2
289.16336	0.5
292.18887	0.3
297.12256	0.5
325.11917	1.0
358.29282	0.3
376.25427	0.4
376.30341	4.5
393.31003	0.3
394.20413	5.7
394.26096	1.2
394.31421	10.1
395.20053	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
53.40657	0.6
53.57132	0.7
55.01875	0.8
55.05511	7.0
56.05025	1.0
56.87763	0.6
56.96541	0.7
57.03439	6.6
59.22128	0.6
62.06091	27.1
65.03933	0.8
67.05505	23.2
69.06731	0.7
69.07073	7.8
69.38703	4.9
69.39114	0.8
70.06579	3.0
70.84912	0.5
71.04998	3.2
71.06915	0.5
72.08146	1.1
72.74820	0.6
73.72521	0.6
79.05077	0.7
79.05494	11.2
81.03403	1.0
81.07059	35.3
83.04986	1.6
83.08617	4.8
84.04475	0.6
84.08133	2.2
85.06535	1.1
86.09686	1.3
91.05484	10.7
93.07050	14.9
95.04953	2.3
95.08611	29.0
97.06559	3.2
97.10167	1.2
98.06043	1.8
98.97858	1.1
98.98470	18.2
99.08114	0.7
100.07610	1.0
103.05473	0.6
105.07039	9.6
107.04955	2.0
107.08582	4.8
109.06503	1.2
109.10161	4.3
111.08083	1.5
116.99609	0.7
117.07000	0.8
118.08660	2.0
119.08580	11.6
120.08107	1.4
120.08963	0.6
121.10135	3.3
123.08086	1.4
124.01607	1.5
131.08557	1.3
133.10147	5.2
135.07986	0.6
135.11685	2.1
137.09671	0.8
142.02635	2.6
155.01062	6.8
161.13254	8.0
173.02109	2.8
177.30249	0.6
179.14316	13.9
180.14758	1.1
181.89099	0.6
188.15001	0.6
198.05238	1.5
199.14903	0.7
216.06342	2.3
221.27953	0.6
222.18539	13.4
235.16940	0.7
240.19551	1.8
240.67912	0.6
246.80167	0.8
253.17993	100.0
254.18314	2.6
275.72025	0.6
296.22202	7.2
333.14722	3.1
376.18878	6.3
394.15213	1.0
394.19861	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	394.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.4
55.01862	0.4
56.96550	0.4
60.04496	0.5
69.03419	0.6
69.07062	1.0
69.92205	1.8
70.06597	3.9
72.08139	1.5
76.03941	0.4
77.63682	0.3
79.05484	0.6
81.03398	0.5
84.04486	1.7
84.08143	2.1
85.02872	0.9
86.09694	0.8
87.05593	7.3
91.05477	1.0
93.07039	0.6
95.04973	1.1
97.02882	0.5
99.05567	1.1
102.05582	0.4
103.05468	3.0
105.06997	0.7
106.79138	0.4
107.04955	13.8
109.02873	0.9
110.07148	0.5
115.05048	10.1
115.05815	0.7
116.01688	1.1
116.07032	0.5
117.03658	0.4
119.01906	1.0
120.08104	100.0
121.08421	2.9
121.67020	0.3
122.02743	0.7
123.04415	1.2
125.03445	0.7
127.05033	3.5
129.10274	0.8
130.05008	0.7
132.08072	1.7
133.06485	2.1
134.03618	0.5
134.99634	0.5
135.04449	2.7
139.03233	0.6
144.01167	0.6
145.06831	0.8
146.05995	0.4
149.05980	2.1
151.03909	0.8
152.04649	0.8
161.02971	1.2
162.02203	1.5
167.07037	0.7
172.07173	4.8
177.10234	13.6
178.10518	0.4
185.03873	0.4
189.10210	1.4
197.02896	0.5
198.02020	0.4
205.09709	5.3
213.03276	2.3
217.09784	1.6
223.10764	8.2
223.12907	0.5
233.06781	0.6
234.12425	0.5
244.10840	0.8
245.05038	0.4
247.09270	0.4
248.09593	1.2
262.11966	0.6
273.13385	0.7
274.11765	0.7
280.12991	1.1
288.06473	0.8
291.14505	11.4
292.15079	0.6
297.75287	0.4
301.12891	0.4
319.14063	1.7
376.16156	1.5
394.34958	0.4
395.11954	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	10.9
55.07853	1.3
55.60072	1.5
56.05033	3.0
56.96556	5.0
58.99582	18.6
60.25975	1.5
61.01152	3.2
62.99071	10.1
67.05486	4.1
69.03402	1.4
69.07068	91.1
70.06583	6.2
70.07405	1.6
70.96619	3.3
72.93809	2.1
74.00667	14.3
76.02225	4.5
76.03989	6.8
83.06097	6.0
84.04504	54.0
84.08128	5.1
85.02911	1.6
86.09707	2.3
86.99044	9.2
88.02193	11.1
91.05465	3.1
93.07029	6.4
98.97606	2.0
99.02652	1.9
99.05589	3.3
99.61367	1.4
101.04248	18.4
102.05589	2.8
102.32455	1.4
105.07030	3.0
107.04955	20.9
112.03957	13.7
114.55656	1.4
116.01675	59.2
116.98601	1.5
117.03720	12.7
119.01928	6.3
119.05301	22.8
120.08118	2.7
127.05794	11.4
129.06609	11.8
130.05005	43.2
132.04378	2.1
133.06497	9.9
137.02940	2.5
142.03226	3.6
143.01930	1.7
144.01140	26.0
144.08372	3.7
145.06863	40.0
146.02682	1.9
146.05910	1.6
147.04428	8.3
148.04739	4.4
151.02112	2.8
153.06529	1.9
160.00673	2.2
161.02946	3.9
162.02200	100.0
162.09451	9.5
163.02109	11.4
169.63828	1.3
173.06389	2.2
174.02261	2.5
177.03329	3.7
191.07387	4.5
212.92650	1.6
219.97694	2.6
220.06129	1.7
221.04984	4.5
230.08466	40.0
232.02077	1.8
245.05267	2.6
247.11111	5.4
248.09518	99.0
252.06926	5.8
265.12164	35.6
291.07016	1.4
319.13266	28.4
331.13318	2.1
334.07666	4.5
351.10318	2.1
371.63287	1.6
393.46548	1.4
394.16351	6.4
394.35056	2.0
395.09094	3.2
395.12671	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.9
55.26021	0.7
55.66180	0.8
57.03416	1.0
57.07072	29.9
59.05008	1.2
67.05504	4.2
69.07064	100.0
69.72531	4.9
70.04070	4.1
70.06570	0.8
70.07487	0.9
70.07846	5.3
72.55469	0.8
79.05470	1.2
81.07066	2.0
83.04961	1.7
85.02939	0.8
85.06586	0.9
87.04420	0.8
91.05488	2.3
93.07030	2.1
95.04977	2.0
95.08613	1.6
97.06547	1.1
98.20664	0.9
98.99994	3.6
103.03170	0.8
104.35927	0.8
107.04971	1.6
107.08611	1.0
109.10199	1.0
111.04438	0.8
112.05112	3.2
113.01568	2.3
115.07563	36.9
116.98577	1.0
121.06495	1.3
126.99451	11.0
129.01030	16.9
134.99809	0.8
141.01013	19.4
141.02075	1.0
147.07970	0.7
152.04605	3.2
152.08226	2.6
152.11813	0.9
155.02548	8.1
156.34985	0.8
158.97658	1.2
159.97978	1.0
160.97398	1.3
161.09715	1.1
162.10385	0.9
166.09807	1.5
184.07414	0.8
192.07729	1.1
197.07272	62.2
208.10861	2.6
215.93446	0.8
225.06738	6.2
225.08662	0.9
226.11932	1.8
308.18542	0.8
336.11066	34.7
350.23145	4.0
376.14148	11.7
376.24951	1.4
394.25180	0.9
394.30081	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33543	0.8
51.80478	0.7
54.98629	0.8
55.05499	1.3
56.96558	33.8
57.07072	7.6
57.51847	0.8
60.95868	0.9
67.05484	1.6
69.07066	8.5
69.63744	6.2
71.95251	2.7
74.93156	21.7
74.97606	3.5
79.05483	0.9
81.07034	1.9
84.96000	1.0
91.05450	1.4
95.08588	0.9
98.21465	1.7
98.97573	59.6
99.08089	1.8
100.05065	0.8
100.99706	1.1
107.98698	4.4
112.05057	1.4
116.98607	81.5
117.35870	0.9
125.99753	32.9
134.99643	100.0
140.00166	4.6
144.00798	60.3
145.67366	0.8
149.01315	1.4
153.00694	21.0
154.12343	1.1
158.01263	10.4
159.03282	1.2
161.04860	3.2
162.01860	24.2
167.02391	3.2
168.00792	15.0
168.11490	0.9
171.15073	0.9
176.02287	1.7
179.05911	1.8
185.03432	1.2
186.01855	38.5
198.98335	1.5
199.06961	2.0
201.04369	1.3
203.05824	1.1
204.02896	4.7
209.03487	4.2
214.01317	2.5
216.99336	5.2
220.98842	1.8
228.02928	1.8
230.97353	5.9
235.00432	9.6
242.08067	3.3
243.98076	3.3
244.98877	6.3
247.98972	3.3
248.98242	4.1
253.01482	2.2
253.99225	1.1
260.09201	0.9
261.99121	1.8
262.99963	2.7
266.00003	39.8
266.99878	1.7
281.99542	1.4
283.04034	2.7
284.01053	18.9
284.09338	1.6
286.99915	2.5
289.01578	5.1
301.05112	33.2
307.02603	1.9
319.06192	18.1
320.12219	0.8
324.06653	4.1
325.05206	2.8
326.02200	2.0
343.06155	16.1
352.07324	4.6
353.16083	3.4
361.07205	1.9
366.07617	1.2
370.08539	4.8
371.17007	0.8
379.23074	0.9
394.08395	39.0
394.17181	5.8
412.09424	38.6
413.09308	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.9
57.03439	6.0
57.07074	40.7
67.05505	12.5
69.07060	8.6
71.04741	2.6
71.08629	26.4
81.07059	15.8
83.08614	11.6
85.06496	0.9
85.10178	14.5
95.08607	25.1
97.10162	4.6
98.98464	73.6
109.10143	12.2
110.25088	1.0
116.99509	2.2
123.11684	5.4
125.13226	1.9
133.85670	1.0
137.13239	2.1
139.14777	1.1
155.01035	100.0
170.56909	1.0
239.23679	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	393.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89454	0.4
67.05493	0.7
69.07084	0.8
70.13632	1.1
70.14023	1.2
70.87536	0.5
79.05493	0.7
81.07063	0.8
95.08601	0.9
95.12181	0.6
98.21593	0.5
105.03360	0.7
107.08582	0.8
155.01053	0.8
184.42799	0.5
212.14842	0.6
319.26227	0.6
393.26089	100.0
394.26392	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	393.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
71.59926	0.9
80.02870	0.7
86.58945	0.6
87.48421	0.6
126.86929	0.6
156.96416	0.6
276.95316	0.8
393.26108	100.0
394.26425	3.1
408.12665	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	12.8
55.05507	21.8
55.41064	5.0
57.07069	14.6
64.56544	4.6
65.03931	5.0
67.05495	35.6
69.07054	31.2
70.20103	13.6
70.20519	18.4
71.04955	5.6
71.08627	7.8
79.05482	42.4
81.07053	66.4
83.04974	6.0
83.08603	14.8
89.06017	7.8
91.05472	60.7
93.07040	83.4
95.04967	63.4
95.08603	61.3
97.06557	9.9
98.20809	6.6
98.98475	9.6
105.07020	100.0
107.08578	52.2
109.06509	16.5
109.10133	33.0
115.05503	7.0
117.07018	21.5
119.08570	88.1
121.06480	17.2
121.10150	36.7
123.08090	11.0
123.11715	12.3
128.06219	12.4
129.06996	18.4
130.07800	7.3
131.08530	44.4
133.06651	6.7
133.08615	6.5
133.10120	60.5
135.11694	17.3
141.06975	12.0
142.07742	29.7
143.08548	37.2
145.10088	62.3
145.54034	6.3
147.11687	29.0
154.07721	7.2
155.01001	17.1
155.08528	8.6
156.09276	10.5
157.10103	46.0
157.80042	5.9
158.10869	9.1
159.08054	9.7
159.11664	40.8
161.09648	11.4
161.13231	13.0
167.08498	6.7
168.09367	7.2
169.10130	26.2
171.11665	25.1
173.13275	23.1
175.11194	12.4
175.14877	16.2
179.08524	9.2
180.09224	6.1
181.10178	14.9
183.11731	17.7
185.13258	23.6
186.34451	5.5
187.11157	5.6
187.14752	6.9
193.10057	8.6
195.11597	13.3
197.13275	20.2
197.51369	6.2
199.14864	6.9
206.10889	6.5
209.13251	11.8
211.14818	9.6
213.12843	5.1
213.16408	9.4
221.13359	7.2
225.16351	7.2
235.14885	6.2
284.87006	5.0
393.27884	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	393.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41360	0.9
55.05511	6.0
56.49723	1.0
57.03442	5.3
57.07076	37.0
65.03970	1.0
67.05506	13.7
69.07068	8.7
71.08233	1.6
71.08630	26.9
71.51312	1.6
75.04478	0.9
76.89789	1.0
79.05489	1.6
81.07051	20.4
83.08617	10.5
85.10186	14.9
91.05459	1.2
93.07052	1.4
95.08609	24.9
97.10155	5.2
98.98464	59.9
99.11733	1.2
109.10158	13.5
111.11707	2.5
116.99516	1.8
123.11716	5.4
125.13268	1.0
137.13257	2.6
143.08467	1.8
145.10104	1.3
151.14864	1.2
155.01042	100.0
155.08495	1.0
157.10149	2.5
159.11647	1.4
165.16460	1.3
171.11699	1.2
183.11754	1.7
185.13248	1.8
199.14883	1.0
211.14873	1.9
230.84396	0.9
237.16475	1.3
239.23682	5.6
252.18895	1.0
253.19496	1.9
344.95901	0.9
393.35239	10.4
394.29462	1.5
395.11499	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38265	0.7
55.05512	5.6
57.03425	4.8
57.07075	34.0
61.22920	0.8
67.05506	12.4
69.07067	6.2
70.63392	0.8
70.72306	1.9
70.72655	1.1
71.08231	1.3
71.08627	24.7
71.09007	1.7
76.08464	0.8
79.05517	1.0
81.07059	13.5
83.08615	11.0
85.10187	13.3
85.46816	0.8
86.35558	0.7
95.08605	22.7
97.10168	5.0
98.98466	67.6
99.11730	1.4
109.10160	9.4
110.62981	0.8
111.11689	1.6
111.98901	0.9
116.99505	2.5
117.77779	0.8
123.11709	3.9
127.59291	0.8
137.13237	2.0
155.01038	100.0
196.10318	0.8
200.79231	0.9
221.22600	1.8
239.23656	6.7
394.29633	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	393.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.0
57.03431	6.1
57.07077	33.6
64.38268	0.8
67.05506	11.9
67.47943	0.7
69.06784	0.6
69.07068	7.7
69.74866	0.6
71.04977	0.6
71.08631	25.3
71.60130	1.3
81.07056	16.7
83.08617	10.8
85.10182	12.4
93.07050	1.7
95.07981	1.2
95.08605	25.4
97.10170	5.5
98.98464	62.5
99.11707	1.4
100.12643	0.6
100.88522	0.6
109.10156	11.3
111.11710	1.1
116.99528	3.2
123.11710	5.1
125.13311	0.7
132.08324	0.6
137.13252	1.8
140.01079	0.7
151.14738	0.8
155.01039	100.0
173.02094	1.2
196.03696	1.2
224.26218	0.6
239.23692	6.1
273.67456	0.7
385.54962	0.7
393.35489	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.3
55.05513	5.2
56.05022	1.0
57.03430	1.1
57.07056	0.9
58.99584	25.1
61.01128	1.1
64.42397	0.8
67.05493	7.6
69.03424	1.2
69.07073	6.3
69.95036	4.3
70.06592	10.8
71.04978	3.5
71.08622	1.1
72.08159	5.2
73.01119	2.1
76.02225	10.7
76.04003	5.6
77.97088	0.7
79.05492	6.2
81.07053	15.7
83.04955	1.4
83.08619	5.9
84.04490	2.7
84.08127	5.6
85.06519	4.2
86.09709	6.5
86.99048	18.7
87.04426	1.0
88.02216	5.8
91.05466	6.7
93.07047	6.3
95.08605	22.8
97.06529	4.3
97.10165	2.2
98.21475	1.1
98.98433	0.9
99.08096	2.1
103.05501	1.1
105.07030	7.4
107.04945	3.9
107.08596	1.9
109.10188	2.0
110.07163	1.2
111.08092	1.6
113.09621	0.9
116.01674	69.0
119.08575	10.5
120.08108	3.8
121.10101	4.1
123.08079	1.9
129.10275	2.0
130.05013	1.4
133.10124	6.1
135.11684	4.2
137.09575	1.1
137.13263	3.9
144.01141	26.3
150.07719	7.3
150.57164	1.0
161.13257	19.1
162.02200	100.0
172.75026	0.8
179.04852	2.0
179.14308	15.2
180.14723	0.8
184.07349	1.8
197.15350	12.6
197.17076	0.9
207.06473	0.8
213.59279	0.8
215.16429	2.8
255.14204	1.5
272.16711	3.2
273.14993	1.8
285.13162	0.9
300.16125	1.2
312.15802	0.9
340.15717	2.6
358.16537	4.1
362.21838	3.0
376.17795	5.2
393.18982	12.0
394.19318	1.1
394.24426	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84126	2.0
54.00383	1.8
55.05510	6.9
56.05028	3.0
57.03414	2.8
57.07075	2.4
58.02951	2.5
58.09531	1.7
60.04521	7.9
67.05492	2.0
68.05012	2.8
69.03431	7.3
69.07063	18.4
70.06593	29.8
71.58073	2.8
72.04518	3.1
72.08150	27.0
73.02891	2.3
81.03416	6.2
81.07043	3.6
83.08620	2.8
84.04490	7.4
84.08135	14.3
85.02891	8.6
85.61388	1.8
86.06066	3.2
86.09699	100.0
87.05589	5.0
88.04017	2.2
89.31283	2.2
91.05492	5.1
93.07034	5.9
94.06538	2.1
95.04980	1.9
95.08542	2.0
96.04475	4.1
96.08115	5.4
97.02896	4.8
98.02399	2.8
98.09688	5.2
98.97578	3.3
100.11250	9.5
105.07034	3.1
107.04947	5.7
110.07144	6.4
110.09691	3.6
112.11264	2.8
113.89241	1.9
114.09158	36.7
118.08689	2.5
120.08092	38.0
126.05516	2.0
127.03888	2.2
128.10713	84.1
128.11670	4.7
129.10219	6.6
131.04958	4.5
132.10211	2.4
133.06497	2.8
139.11125	5.1
141.10234	5.8
143.11823	6.3
155.11813	4.7
157.12303	2.4
160.09605	3.1
164.10713	4.5
166.08640	6.1
171.11287	2.8
183.11301	3.2
184.07410	3.9
200.13922	17.6
210.14915	2.9
216.73769	1.7
217.09712	2.3
223.10788	4.8
227.17584	5.0
230.13919	3.5
231.17256	9.7
234.59966	2.2
235.11105	2.3
246.14885	6.3
246.65260	2.5
253.63974	1.9
261.09280	2.8
273.15344	1.7
273.18091	51.8
307.81714	1.9
309.17999	11.9
357.20154	2.7
376.15533	4.2
393.15500	2.1
394.16449	12.8
406.01764	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19152	0.5
55.05509	3.6
57.07071	38.5
58.07392	1.7
67.05494	2.3
69.07063	17.1
70.03114	2.5
70.04071	12.6
71.04394	1.4
71.08624	0.9
77.74119	0.6
79.05472	1.6
81.07034	1.4
83.04985	0.6
83.08607	6.6
84.08136	17.8
84.70232	0.7
85.06545	1.9
86.09698	0.7
87.01928	1.2
89.03920	1.2
90.46043	0.6
91.05465	1.3
93.07048	1.8
95.04954	1.4
95.08595	2.3
96.08101	1.3
97.10126	0.6
98.06053	0.7
99.00001	1.1
99.01953	0.8
102.09167	0.8
103.05480	5.5
105.07034	1.4
107.08562	0.7
109.10124	1.7
110.06025	2.3
111.79296	0.5
112.07597	24.3
115.05369	0.7
117.02981	1.0
119.08584	1.1
120.04562	0.7
124.07609	0.6
125.01537	100.0
126.01852	1.1
129.05989	0.5
129.06979	2.4
130.07793	2.7
130.08650	0.6
131.07083	1.1
131.08536	0.6
133.10130	0.8
138.10291	1.5
139.03078	24.9
139.08659	3.5
142.08629	1.0
143.08524	1.0
144.09267	0.8
151.03091	4.5
153.01006	1.5
153.04636	3.6
154.01341	0.7
155.08144	32.2
157.09712	7.3
165.04654	14.1
167.06213	0.7
171.11490	0.6
172.00172	0.6
173.09245	2.5
179.06235	2.6
185.09198	7.1
185.13206	0.7
187.10745	1.2
195.11336	2.0
197.12938	0.8
209.07269	2.9
209.12834	3.8
210.07579	4.1
211.07024	2.1
211.14290	0.8
213.12389	1.9
219.09369	4.2
221.07425	0.8
221.10883	3.7
222.10474	1.8
223.14400	2.2
227.14018	0.9
237.06596	0.6
237.16003	2.3
251.17616	1.4
255.17114	1.4
262.41885	0.6
264.11536	1.4
271.12119	0.9
319.11987	2.0
347.18796	4.6
375.18283	31.9
376.18658	1.6
393.19403	17.6
393.24350	0.8
394.15259	1.3
406.16516	1.6
406.55005	0.6
407.17508	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26564	0.2
60.22638	0.2
67.05470	0.9
70.26150	0.3
70.26496	1.0
71.04958	0.6
79.05479	0.3
80.05000	0.3
85.02883	0.4
91.05466	0.5
93.07008	0.3
94.06532	1.0
95.04944	0.2
96.08076	0.2
98.21434	0.2
105.20150	0.2
107.04926	1.8
107.07341	2.3
118.06493	0.4
120.08102	11.9
121.08923	0.3
122.06020	2.2
130.09242	0.3
131.04897	1.0
132.08081	0.5
136.07611	0.5
140.75366	0.2
141.17531	0.2
142.04485	0.2
143.10646	0.2
144.56308	0.3
145.06494	0.3
164.07079	1.2
165.07031	0.3
169.06473	0.3
171.08005	0.4
183.06709	0.4
184.07361	0.2
184.11143	0.3
194.09593	0.8
195.07983	1.0
195.10069	0.2
196.07539	2.3
196.11238	0.3
197.08369	3.3
198.09122	1.8
199.09915	0.6
208.11189	0.3
209.09622	0.4
210.09132	3.4
211.09923	5.4
212.10695	21.8
213.11057	1.0
224.10690	1.4
225.11436	0.6
226.12254	30.7
227.12341	1.0
238.08551	0.3
254.11629	0.4
256.09683	2.0
270.11328	2.2
271.12015	100.0
272.12637	10.7
273.13138	0.2
287.13815	1.1
348.74362	0.3
393.18082	30.2
394.18338	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1807
Annotation	Leuconicine G
Peak:m/z	Relative Intensity
51.02383	0.3
53.03934	1.3
54.04247	0.3
55.01864	0.9
55.05498	0.5
55.93503	0.5
56.96550	0.4
57.03456	0.3
57.07061	0.5
61.02894	0.5
67.05502	1.7
69.03416	0.5
69.07055	0.9
69.49242	0.3
70.06564	0.4
71.21066	0.7
75.26265	0.3
79.05480	3.1
81.03374	0.5
81.07063	1.5
83.12214	0.3
91.05470	1.6
93.07021	1.3
94.06546	0.9
95.04955	3.0
95.08593	0.7
97.02867	0.3
103.05487	0.4
105.04477	0.5
105.07033	1.4
106.06545	1.9
107.04944	100.0
108.05273	2.3
108.08098	0.5
109.10125	0.5
110.06044	0.8
115.22311	0.3
117.07036	0.6
118.06532	0.3
119.08537	0.8
120.08088	1.4
121.06488	0.3
121.10093	0.5
122.06041	0.4
125.09675	0.3
131.08588	0.4
133.10127	0.7
134.06003	5.6
135.08035	0.5
136.07521	0.8
143.08557	0.6
144.08060	0.6
145.10141	0.6
147.11676	0.5
148.07536	1.3
150.05481	0.9
152.07060	4.8
157.10088	0.4
158.09669	0.9
158.97618	5.2
159.09117	0.4
159.11612	0.5
166.08653	0.5
167.07262	0.4
168.08051	0.5
169.08807	0.4
170.05998	0.3
170.09637	0.4
171.09146	0.6
172.07536	2.1
173.13130	0.4
174.09064	0.6
179.08504	0.3
181.08824	0.4
182.09622	1.9
183.09125	1.1
184.07411	0.3
184.09827	1.5
184.11333	0.5
185.10696	1.3
186.09116	2.9
186.11499	0.4
188.10750	0.6
196.07443	0.6
198.09105	1.0
198.11382	0.5
199.08629	2.1
199.12292	7.6
200.10701	0.6
200.12895	0.5
209.10739	0.4
210.09169	2.0
211.08643	5.8
212.09328	4.2
213.10149	2.6
214.10982	1.3
215.11823	0.6
223.12260	0.9
224.10675	1.3
225.10196	0.7
226.10591	0.5
226.12535	0.6
227.11765	46.3
228.12219	2.0
241.13377	2.7
242.11790	1.9
251.11720	2.4
259.14371	1.4
269.09912	0.4
269.12820	6.0
270.11105	0.8
271.10394	1.5
272.11105	1.5
285.12408	0.8
286.12878	0.7
287.13867	97.5
288.14252	3.4
299.13544	0.5
301.21722	1.8
304.11707	0.3
320.14658	1.4
333.15750	0.6
370.07733	1.8
375.25229	0.7
388.08743	0.8
393.10327	3.3
393.17957	26.1
393.26138	0.6
394.09998	0.4
394.18445	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64283	0.2
67.05473	1.1
69.31267	0.3
69.31591	3.0
91.05464	0.4
94.06535	1.0
95.04962	0.5
95.08584	0.3
97.06504	0.2
105.07010	0.3
106.06522	0.4
107.04955	2.9
107.06741	0.3
107.07340	2.2
108.08116	0.5
111.90581	0.3
117.45294	0.3
120.08104	13.2
122.06016	2.7
123.32301	0.2
128.34850	0.3
131.04919	0.7
132.08087	0.4
136.07562	0.8
149.83546	0.3
150.09116	0.6
163.03778	0.3
164.07048	1.1
167.08504	0.3
171.08044	0.4
182.09602	0.3
183.10477	0.3
184.07578	0.3
194.09648	0.7
195.08093	0.5
195.10403	0.4
196.07632	1.6
196.11153	0.3
197.08347	3.1
198.09157	2.2
199.09865	0.7
209.09755	0.6
210.09099	3.3
211.09941	4.9
212.10703	22.9
213.11092	0.6
224.10648	1.3
225.11508	0.7
226.12257	29.4
227.12270	1.0
238.08618	0.4
256.09561	1.7
270.11188	2.2
271.12015	100.0
272.12656	10.7
273.13013	0.3
282.11023	0.3
287.13791	2.4
368.61255	0.3
393.18066	29.0
394.18420	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23557	0.3
67.05501	1.5
70.12119	0.3
79.05467	0.6
81.07011	0.4
81.10294	0.3
91.05457	0.7
94.06539	1.1
95.04960	0.4
96.08088	0.3
106.06527	0.4
107.04266	0.4
107.04945	3.5
107.07311	2.4
112.99997	0.5
120.08097	13.2
121.06478	0.3
122.06030	2.8
131.04893	1.1
136.07573	0.5
137.02303	0.8
147.04327	0.4
150.09106	0.7
164.07083	1.5
165.07008	0.3
167.08516	0.4
169.06557	0.3
171.08017	0.3
183.06699	0.4
184.07492	0.3
184.11212	0.3
194.09619	0.7
195.08061	0.8
195.10362	0.7
196.07532	2.1
196.11191	0.5
197.08357	3.1
198.09100	2.0
199.09845	0.8
200.10596	0.4
209.09705	0.4
210.09128	3.5
211.09900	4.5
212.10687	24.1
213.10968	0.8
224.10716	1.2
225.11411	0.5
226.12245	30.9
227.12537	1.6
238.08528	0.4
256.09659	2.5
257.10379	0.5
270.11185	2.3
271.12006	100.0
272.12619	12.1
287.13931	2.0
297.13516	0.3
393.09677	1.1
393.18057	28.0
394.18442	2.6
394.23102	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.5
54.64196	0.4
55.05516	1.0
55.50563	0.5
56.05015	1.6
57.03433	0.6
58.06576	1.2
60.04508	0.8
67.05490	1.1
68.05005	1.9
69.03418	1.4
69.07060	0.7
69.50671	2.8
69.51102	1.4
70.06592	14.8
71.06902	0.5
72.08157	11.2
74.06064	1.2
76.02238	0.8
79.05492	0.7
81.03408	0.7
81.07014	0.5
83.06080	1.3
83.08565	0.5
84.04497	4.2
84.08142	9.8
85.02903	0.7
86.09208	0.8
86.09709	9.8
87.05602	0.5
87.10001	0.5
88.03982	1.0
91.05482	0.8
93.04546	0.7
95.06123	0.5
97.02829	0.5
98.06055	0.7
98.97582	0.6
99.04443	0.7
99.63536	0.5
101.07116	0.8
102.05528	1.4
103.05398	0.6
107.04933	1.7
110.06018	0.5
110.07175	4.1
112.08672	0.9
115.08675	0.7
116.07057	0.9
116.98599	0.9
119.04946	0.5
120.08104	6.9
121.08424	0.6
124.04959	0.5
128.10692	0.5
128.98572	0.6
129.10231	5.2
130.04982	2.2
130.06519	0.6
133.06352	0.5
136.07613	0.8
140.03398	0.7
143.11874	0.5
147.04451	0.9
158.99620	0.5
164.53932	0.6
166.07269	0.7
166.08662	0.8
172.06099	0.9
173.12886	1.3
184.07361	2.1
188.08167	1.1
189.06436	1.5
191.03658	1.4
191.77975	0.6
201.06465	2.0
202.07286	1.9
203.08015	1.9
204.08784	6.8
205.09538	0.7
215.08043	1.7
216.08807	100.0
217.09515	3.4
218.10378	4.3
225.06445	11.2
226.07195	3.3
226.15453	0.6
227.07961	1.4
228.08748	0.8
229.09499	0.9
230.10379	9.0
230.15277	0.5
233.16499	0.5
240.08791	53.8
241.09357	1.5
242.18622	0.5
246.09828	5.2
258.09830	2.7
259.08276	4.6
268.08286	5.7
272.11420	3.3
283.09641	0.5
300.10913	52.6
301.11237	1.2
315.11841	0.6
315.97653	0.5
333.13144	3.0
333.69580	0.7
339.43268	0.5
343.11374	3.0
361.12637	4.6
375.14087	5.1
393.15027	24.9
393.20917	27.4
394.15234	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01868	1.5
55.05500	0.7
57.03439	6.4
61.02926	3.2
62.02451	6.3
67.05486	1.0
67.61410	0.6
69.03426	16.3
69.99322	0.6
70.06589	6.5
71.01352	3.0
71.04992	4.7
71.59793	0.9
72.08147	1.1
73.02902	1.6
79.05493	1.3
81.03422	5.2
84.08149	4.8
85.02901	1.5
86.09706	1.8
87.04493	0.9
89.06028	0.8
91.05446	1.7
93.07065	1.4
95.04969	1.2
97.02875	1.4
97.06519	1.4
97.38697	0.5
99.03893	0.7
99.04459	6.2
107.04955	3.7
116.07073	0.9
117.05487	8.2
117.07032	0.6
118.06535	2.3
120.08101	5.2
121.94270	0.6
130.06558	1.4
132.06749	0.7
132.08411	5.2
135.06523	11.2
143.11842	1.2
145.07605	13.6
146.08362	1.7
147.09171	28.2
157.07619	1.5
159.09171	16.2
160.09904	2.3
161.10739	1.1
170.08388	2.3
171.09140	1.0
173.07141	1.3
173.10718	2.5
175.08653	2.4
178.07133	4.6
182.08493	0.8
184.10008	4.4
185.10735	30.9
186.11449	3.1
187.08618	2.1
187.12286	2.8
189.10165	1.0
190.09821	2.9
191.08150	100.0
192.08511	2.0
197.10703	3.8
198.11433	0.6
199.08644	2.9
199.12297	9.6
201.10228	1.8
209.10805	1.4
211.08701	1.5
212.10712	0.7
213.10281	3.9
213.12077	1.0
213.14827	4.1
215.11766	4.4
216.07684	8.7
223.10829	1.3
225.10193	4.1
226.12340	0.9
227.11685	3.0
231.11331	0.8
243.11357	0.9
245.09216	1.2
245.12820	12.1
253.09808	1.0
259.10651	1.1
263.13934	8.6
271.10867	1.9
273.15262	0.8
289.11890	7.5
299.05322	0.7
301.14255	0.6
306.14474	11.6
307.12845	32.3
308.13208	1.3
332.12433	4.1
350.13437	10.1
376.11578	3.0
376.21832	0.7
393.13971	93.1
393.18854	34.3
394.14465	4.6
402.72339	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.4
57.03426	0.6
59.42809	0.4
61.02945	0.6
63.78398	0.5
67.05496	1.0
70.06588	4.8
70.45666	0.9
70.46069	0.9
72.08147	1.6
72.27043	0.5
79.05499	1.1
79.25072	0.4
81.03410	1.1
84.08144	4.3
85.02880	0.7
86.09694	1.1
87.04453	0.6
91.05451	1.1
95.04984	0.5
95.08585	0.8
97.02934	0.7
103.05456	0.6
105.07016	4.5
107.04932	3.8
114.58516	0.5
116.07088	0.7
119.01893	2.0
120.08086	1.9
121.02863	0.7
127.03807	0.5
129.10226	0.8
130.06514	0.5
132.08417	3.1
133.69994	0.5
145.03448	0.6
167.03159	0.6
205.07091	0.8
221.05038	0.9
223.08147	0.7
226.12303	0.7
227.05234	1.0
229.04878	0.6
259.07925	0.7
271.04297	1.0
271.11832	2.7
273.09775	0.7
299.05426	1.6
307.11526	4.9
325.11292	0.7
331.11572	1.2
349.12546	37.5
350.12842	2.1
369.70837	0.5
393.11517	100.0
394.11871	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	393.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03861	0.1
55.01775	0.8
55.02060	0.2
55.05422	0.1
56.96458	0.2
56.96714	0.1
57.06975	0.1
58.99492	0.1
59.60192	0.1
65.03825	0.4
67.05386	0.4
67.05743	0.2
68.99685	0.5
69.03339	0.1
69.06950	0.3
70.06474	0.2
70.77888	0.2
70.78281	0.2
72.08032	0.2
79.05363	0.3
81.03311	0.2
81.06960	0.2
84.04399	0.2
84.08051	0.1
85.02799	0.2
85.03279	0.1
86.09615	0.1
91.05363	0.2
93.06940	0.2
94.06461	0.1
95.04832	0.3
95.08486	0.3
96.08048	0.1
97.02791	0.1
97.06420	0.2
98.09633	0.1
99.00697	0.1
105.03265	0.4
105.06884	0.3
107.04816	3.3
107.05595	0.2
107.07238	0.1
107.08441	0.1
108.05181	0.1
109.02770	0.1
109.06387	0.1
109.10104	0.1
110.75788	0.1
111.04305	0.3
115.94183	0.1
117.06927	0.2
119.01521	0.1
119.04865	0.1
120.08086	0.9
121.02856	10.2
121.10029	0.1
122.03092	0.1
122.05903	0.2
123.00761	0.2
123.04319	0.1
123.07999	0.1
129.06906	0.1
130.04826	0.1
131.08427	0.1
132.07974	0.1
133.06451	0.4
134.05913	0.2
135.04283	0.3
136.07483	0.1
137.02296	0.6
141.01816	5.2
141.06900	0.2
145.06332	0.3
145.07411	0.1
145.09956	0.1
147.04398	1.8
149.02267	0.4
150.12628	0.1
151.07466	0.1
153.01688	0.1
155.03471	0.1
157.09987	0.1
159.07950	0.2
161.05876	0.1
161.09810	0.2
164.06966	0.1
165.01830	2.2
167.03271	0.2
167.15283	0.2
169.06488	0.6
171.04395	0.2
173.05812	0.2
177.01740	0.3
183.02879	2.9
183.04384	0.1
187.07449	0.2
189.05324	0.1
191.08115	0.2
197.04369	0.1
197.05975	1.4
197.08170	0.2
198.08997	0.2
199.12096	0.1
201.05469	0.6
210.09036	0.3
211.10025	0.2
212.10713	1.4
215.06941	0.5
219.06497	0.1
225.05478	1.5
226.10255	0.1
226.12276	1.9
227.11813	1.0
229.04854	0.2
243.06544	1.9
245.08438	0.1
247.13501	0.3
251.11768	0.1
253.04858	0.1
256.09515	0.1
259.14304	0.1
265.07413	0.2
269.12823	0.2
270.10968	0.1
271.06012	0.9
271.12015	5.6
272.12714	0.4
273.19498	0.1
281.10724	0.2
283.08600	0.1
287.05460	1.9
287.13913	2.5
287.17511	0.3
299.05466	100.0
300.05829	1.8
325.09546	0.1
333.10794	0.4
376.11478	0.4
393.09769	3.1
393.18182	2.1
393.23080	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	393.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01624	0.2
55.01868	1.8
56.96525	0.2
65.03923	0.4
67.05464	0.2
68.99761	0.6
70.06557	0.4
72.08134	0.3
79.01810	0.2
79.05454	0.2
81.03392	0.3
81.07024	0.2
84.08090	0.3
85.02845	0.3
85.26317	0.2
86.09692	0.3
91.05451	0.4
93.03397	0.2
93.07026	0.2
97.02892	0.2
97.06503	0.3
99.00790	0.2
103.05418	0.3
105.03362	0.5
105.06986	0.6
106.06539	2.1
107.01310	2.9
107.04956	2.2
107.06229	0.2
107.06825	0.9
107.08548	0.2
108.05276	0.4
109.02784	0.2
111.04398	0.4
115.05418	0.2
117.06995	0.6
118.06580	0.3
120.08096	1.2
121.02856	19.4
121.06419	0.2
122.03235	0.2
122.06084	0.3
123.08026	0.2
131.04930	0.4
133.02829	0.3
133.06474	0.6
133.10062	0.2
133.12881	0.2
137.02364	0.4
141.01781	0.3
141.06934	0.7
145.06483	1.7
146.27917	0.2
147.04382	1.7
149.02307	0.8
155.04858	0.4
157.06442	0.8
159.04375	0.2
161.05875	0.3
165.01804	2.8
166.08730	0.2
169.06482	1.0
171.04375	0.6
173.05972	10.5
183.02858	1.9
183.04413	0.6
183.66693	0.2
185.05859	0.2
187.07594	0.3
189.05487	0.2
197.05962	1.7
197.08432	0.3
199.03922	0.3
201.05447	2.1
210.09125	0.3
211.03854	0.3
211.09851	0.5
212.10661	1.9
213.10930	0.2
215.07033	0.3
225.05463	0.9
226.12242	2.0
229.04935	11.8
230.05502	0.2
243.06557	1.2
253.05002	0.6
257.04578	0.5
263.14313	0.3
270.11038	0.2
271.06033	1.3
271.12003	7.3
272.12802	0.5
287.05331	0.4
289.19562	0.2
299.05469	100.0
300.05829	1.8
393.09641	91.4
393.18051	2.4
394.09955	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	393.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64037	0.1
52.25172	0.1
55.01624	0.2
55.01870	1.9
56.96556	0.1
62.73580	0.1
65.03934	0.7
66.00594	0.1
67.05503	0.2
68.99790	0.5
69.03432	0.2
79.01852	0.4
79.05485	0.2
81.03413	0.2
84.08142	0.2
91.05498	0.2
93.03391	0.3
93.07026	0.1
94.04163	0.2
94.06543	0.2
95.04932	0.2
97.02877	0.3
98.97537	0.2
99.00829	0.2
103.05466	0.1
105.03387	0.5
105.07032	0.4
107.01309	2.9
107.04936	1.6
107.08553	0.2
109.02835	0.2
111.04443	0.5
115.05443	0.4
117.06991	0.4
120.08099	0.2
121.02856	19.8
122.03196	0.2
122.06030	0.3
125.02206	0.2
128.06204	0.2
131.04893	0.3
133.02847	0.4
133.06499	0.7
135.04410	0.2
137.02344	0.3
140.07002	0.2
141.01785	0.3
141.07001	0.8
143.04836	0.2
145.02817	0.1
145.06474	1.8
147.04396	1.8
149.02307	0.7
153.01860	0.2
155.03389	0.1
155.04868	0.4
155.06015	0.2
157.06519	0.7
159.04407	0.2
161.02437	0.1
161.05928	0.3
165.00504	0.2
165.01826	3.1
166.08617	0.4
169.06493	1.4
171.04381	0.7
173.05966	11.2
175.03934	0.1
177.01768	0.3
177.47163	0.1
179.03311	0.1
181.06552	0.2
183.02876	2.4
183.04431	0.8
185.05847	0.1
187.07536	0.1
189.05573	0.1
197.05948	2.2
199.03888	0.3
201.05455	2.4
211.03784	0.2
212.10712	0.5
215.07011	0.2
225.05412	0.9
226.06258	0.1
226.12260	0.5
229.04939	11.6
230.05292	0.2
243.06476	1.5
253.04916	0.9
257.04446	0.5
271.05991	1.1
271.11981	1.6
272.12677	0.3
275.05594	0.2
287.05484	0.4
287.13855	0.3
298.62210	0.2
299.05463	100.0
300.05789	2.4
393.09631	88.9
394.09943	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0966
Annotation	8-C-p-Hydroxybenzylkaempferol
Peak:m/z	Relative Intensity
55.01867	1.4
60.50859	0.1
65.03913	0.5
65.85879	0.1
67.05476	0.3
68.99779	0.4
69.07025	0.1
69.56923	0.8
70.06560	0.1
72.08136	0.2
73.72697	0.1
79.01833	0.1
79.05463	0.2
81.03392	0.3
81.07011	0.2
85.71538	0.1
86.03148	0.1
91.05462	0.2
93.06979	0.1
95.04965	0.2
97.02872	0.2
99.00782	0.2
103.05371	0.1
103.45950	0.1
105.03334	0.4
105.06953	0.2
107.01317	0.7
107.04948	1.7
108.08011	0.1
111.04410	0.5
113.02250	0.1
115.05479	0.1
117.06980	0.2
120.08083	0.4
121.02858	12.4
122.05962	0.3
123.00774	0.3
133.02853	0.2
133.06497	0.6
135.04355	0.2
136.07478	0.2
137.02286	0.5
141.01816	4.0
141.06944	0.4
145.06451	0.6
147.04398	2.1
148.30177	0.1
149.02316	0.5
157.06468	0.3
159.08075	0.2
161.02428	0.1
161.06024	0.2
165.00500	0.2
165.01817	2.7
169.06493	0.9
171.04356	0.4
171.85930	0.1
173.05965	3.2
175.03961	0.2
177.01828	0.2
183.02885	2.6
183.04433	0.3
187.07487	0.2
189.52457	0.1
197.05936	1.7
199.03905	0.2
201.05443	1.2
212.10680	0.5
215.06944	0.5
225.05469	1.1
226.12245	0.6
227.11754	0.2
229.04951	3.2
243.06499	1.5
253.05011	0.3
271.05991	0.7
271.12006	1.8
287.05463	0.2
287.13870	0.5
299.05469	100.0
300.05789	1.8
388.78400	0.2
392.24185	0.2
393.09644	28.3
394.09933	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0965
Annotation	8-C-p-Hydroxybenzylkaempferol
Peak:m/z	Relative Intensity
53.68023	0.1
55.01867	1.6
65.03934	0.5
68.99805	0.4
69.57451	1.0
77.39548	0.1
79.01863	0.4
81.03403	0.2
93.03429	0.3
94.04174	0.1
95.04978	0.2
97.02882	0.2
98.21479	0.2
99.00803	0.3
105.03387	0.5
105.07045	0.2
107.01298	2.9
107.04946	1.0
111.04445	0.5
114.41946	0.1
115.05418	0.4
117.07034	0.5
119.04943	0.2
121.02861	19.0
125.02352	0.2
131.04939	0.2
133.02882	0.2
133.06464	0.6
135.00981	0.1
135.04376	0.2
137.02330	0.4
141.01826	0.4
141.06998	0.7
145.06467	1.3
147.04408	1.5
149.02299	0.6
153.01952	0.1
155.04938	0.3
157.06494	0.6
157.25146	0.1
159.08058	0.2
161.02261	0.2
161.06068	0.3
165.01819	3.1
169.06508	1.2
171.04385	0.6
173.05972	10.0
177.01816	0.3
180.04378	0.2
181.06477	0.2
183.02890	1.8
183.04417	0.6
185.05948	0.2
197.05977	2.1
199.03810	0.4
201.05458	2.3
203.03413	0.2
211.03914	0.3
215.07022	0.3
215.28874	0.1
225.05449	0.7
229.04944	10.3
230.05214	0.2
243.06487	1.7
253.04912	0.7
257.04495	0.4
270.04999	0.1
271.06055	1.1
271.12064	0.6
287.05548	0.4
289.93988	0.2
299.05475	94.9
300.05789	2.2
393.09644	100.0
394.10019	2.9
397.55096	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.9901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.6
55.93518	3.0
56.94294	0.6
56.96559	0.8
65.03932	1.6
65.47672	0.4
67.05519	0.8
69.03429	0.6
70.06595	3.3
70.95831	0.5
71.12113	0.7
72.08163	2.0
72.93779	3.8
79.05481	0.8
80.05014	0.6
81.03420	2.1
81.07042	0.5
84.04484	0.9
84.08163	2.1
85.02879	0.9
86.09704	0.7
89.03911	1.0
90.94824	2.0
91.05482	20.8
93.07056	0.5
95.04945	1.0
95.08648	0.4
98.97569	1.1
105.07046	0.8
107.04958	6.0
108.05354	0.5
108.95815	0.5
110.07143	0.5
116.98636	1.0
117.07050	0.4
119.04942	42.0
120.05289	1.2
120.08118	1.7
121.02814	0.6
121.06516	0.6
128.96324	0.5
128.98543	0.5
129.10210	0.6
130.98013	0.4
131.04900	0.6
132.06517	0.6
132.10150	0.4
132.95837	0.4
133.06401	0.5
133.10118	0.4
136.07545	0.6
138.98445	0.5
142.97981	0.6
146.97415	0.6
147.04408	100.0
148.04730	3.0
149.02325	0.5
150.98270	0.5
152.96326	0.7
158.97417	1.6
158.99591	0.5
161.01219	0.7
166.97955	0.9
168.99544	0.4
170.97438	0.8
174.96901	0.5
176.96350	0.8
176.98428	0.6
177.00717	0.8
178.97942	1.6
180.99417	0.5
190.97894	5.9
191.08205	1.2
192.99669	1.2
194.97414	0.9
195.99919	0.6
196.98979	1.1
200.96440	0.4
201.00708	0.4
202.97897	5.1
204.95805	1.1
206.97397	2.2
208.98956	4.8
211.00618	0.5
218.97397	38.6
219.01784	1.2
219.97665	1.2
220.98956	4.8
222.96924	3.3
224.98398	2.0
228.99617	0.7
232.98990	0.5
234.96808	1.2
234.99004	2.6
236.98450	33.8
237.98810	0.7
240.97983	0.4
247.00633	0.8
248.98567	1.2
252.97931	1.9
253.98659	0.6
254.99513	0.7
256.98889	0.4
258.00702	0.5
259.00497	2.5
260.00119	1.8
272.98386	3.1
273.14896	0.7
274.96509	0.7
277.01880	0.7
284.98621	0.5
286.99945	0.9
290.99432	2.2
300.98010	0.9
301.14389	1.0
302.99530	8.2
303.05194	1.1
307.12866	0.6
312.98053	0.5
318.99081	2.1
321.00562	4.8
328.97559	1.7
330.98999	4.7
344.01782	0.5
349.00003	5.4
356.96957	0.6
363.18167	0.6
372.01764	0.7
374.98010	1.9
375.17758	0.6
392.99130	0.5
393.20535	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75895	1.4
53.03952	2.4
55.01862	2.5
55.05515	3.7
56.05029	2.0
57.03440	3.9
57.07061	6.8
61.02920	5.5
62.06095	2.1
67.05498	9.7
68.05045	1.7
68.49642	1.5
69.03432	5.0
69.07059	6.2
70.06583	9.1
70.82307	1.6
70.87809	2.9
72.08163	3.8
79.05492	35.7
80.04994	4.0
81.03431	4.0
81.07047	11.3
82.06589	4.8
83.04984	7.4
84.04501	3.0
84.08130	4.4
85.02905	23.1
86.09724	9.8
91.03934	2.2
91.05462	9.2
93.07041	33.4
95.04977	2.5
95.08608	4.6
97.02881	5.2
97.06521	6.9
98.98496	2.2
99.04451	2.0
103.05497	1.8
105.07020	6.8
106.06551	100.0
107.04950	32.6
107.06928	1.9
107.08592	12.3
117.06995	1.9
118.06532	4.4
119.08559	2.2
120.08105	7.0
121.06527	1.8
121.10207	1.9
125.05990	14.5
127.03943	3.2
131.04936	2.4
131.08578	1.7
133.10098	10.6
135.08105	1.8
135.11681	82.2
139.07503	10.3
145.04898	3.6
149.02304	1.7
149.13240	8.5
153.12784	2.7
159.11691	4.8
177.12750	19.0
195.13797	62.4
212.10683	6.3
220.16974	6.9
231.09016	4.6
233.16449	1.7
238.17990	4.1
249.10081	2.8
251.16367	4.4
318.14624	3.4
336.15710	2.8
352.64273	1.7
374.17242	7.1
392.18271	13.6
392.23965	4.5
393.14890	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	392.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41855	2.0
55.05497	4.7
56.87806	1.7
56.96289	3.3
56.96563	49.5
57.07073	10.0
67.05473	4.6
69.07066	10.1
70.04063	6.9
71.59411	1.9
71.95258	2.4
72.08146	2.3
74.97611	3.2
79.05486	2.1
81.07041	5.9
83.04910	2.2
84.96011	2.0
85.02883	2.3
85.07677	2.2
86.09697	2.0
91.05470	4.7
93.07055	4.2
95.08599	2.2
97.02851	2.2
98.97599	2.2
100.05074	2.3
102.20842	1.8
105.07029	4.9
107.04916	2.0
109.10143	2.7
110.10545	2.2
115.07557	1.8
116.98643	3.2
117.07063	1.8
117.97406	1.6
118.27582	1.8
118.59733	1.6
123.00050	1.9
123.01130	2.1
128.98567	2.7
131.08145	2.0
134.99655	5.4
137.02808	2.2
143.08575	2.5
144.00938	2.0
146.99673	3.0
154.13364	2.4
155.03798	3.7
158.97597	3.0
171.03331	2.4
173.04874	4.7
185.04785	2.2
189.04391	3.6
197.07301	3.6
199.06409	13.1
201.07967	5.7
203.05861	6.1
211.06429	6.5
213.07991	21.2
217.07465	23.3
219.09035	3.5
220.02669	6.2
229.07477	62.6
231.09045	33.4
236.09537	4.2
237.08040	2.2
238.03748	8.2
243.09052	15.3
245.10507	3.0
247.08528	66.4
252.09041	11.4
253.11081	2.0
254.10788	2.6
255.09007	6.5
261.10172	10.6
266.10773	2.7
267.09164	1.9
269.10663	2.0
270.10114	6.5
273.09995	3.6
285.09882	2.2
318.10046	4.7
333.17432	9.7
336.10800	8.9
351.14191	4.1
351.18420	59.0
369.19473	100.0
369.39279	2.0
370.19800	2.4
374.19897	5.7
387.20425	6.2
392.00336	2.6
392.21176	19.3
392.25317	4.0
393.09616	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	392.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.5
55.05506	3.6
55.93528	1.7
56.05029	4.5
56.96565	2.6
58.99570	3.3
59.04992	4.1
59.22967	1.3
60.04520	1.8
67.05506	7.3
69.03419	5.0
69.07067	4.3
70.06590	20.9
71.04986	12.4
71.59785	2.0
72.08156	5.1
73.01133	4.4
74.00671	2.9
76.02218	8.0
79.05495	3.9
79.17601	1.6
81.03414	4.6
81.07050	6.8
84.04501	5.4
84.08137	7.0
85.02917	3.3
85.06507	1.8
86.00622	1.8
86.06055	3.7
86.09704	4.3
86.99059	3.6
87.04462	21.0
88.02206	8.6
88.03994	3.9
90.94837	1.6
91.02160	9.4
91.05473	13.2
93.07040	12.3
94.06571	2.3
95.04945	13.0
95.08614	6.2
97.02900	1.4
97.06520	3.2
98.09687	1.7
98.97632	1.5
99.08069	2.9
100.02197	7.6
101.00617	8.1
102.05534	11.6
105.00099	5.4
105.07026	10.8
107.04958	29.0
107.08604	11.4
108.05266	2.0
109.06502	5.5
109.10145	4.9
109.42249	1.5
110.07163	4.1
111.08069	2.5
116.01680	4.0
116.07066	2.8
116.98617	3.9
117.07008	2.0
119.01639	100.0
119.04929	11.9
119.08587	5.9
120.08101	3.5
121.08507	1.6
121.10139	6.3
122.02722	50.7
123.08068	1.5
123.11690	3.1
125.04184	1.6
125.09626	7.8
126.03754	3.6
127.02162	5.0
127.11174	4.4
129.10199	1.6
130.07649	1.5
131.08548	11.5
132.01146	3.1
133.10118	5.0
133.22479	1.6
134.02687	2.2
137.06004	2.4
137.09610	2.7
139.11215	3.0
143.08548	2.6
143.10670	7.2
145.03120	6.2
145.10104	7.9
146.02708	9.5
146.99806	1.7
147.04402	27.2
147.05495	2.5
147.11690	6.4
149.02301	3.9
149.09601	16.1
159.11674	2.9
161.09544	1.8
163.11198	4.6
167.14346	3.3
172.04237	4.1
175.11194	2.2
175.14821	2.0
177.00774	2.5
181.06789	2.3
190.05312	7.8
190.98021	1.6
191.03712	11.2
198.05847	5.1
198.18668	1.5
199.14848	4.2
208.06380	76.2
211.13322	6.0
216.06937	2.3
217.15892	13.7
218.97385	9.1
234.99031	3.5
235.16951	10.0
236.98485	6.6
240.15967	4.8
272.98087	1.7
286.16507	3.6
292.99597	1.8
338.17874	20.6
356.18893	31.3
374.19943	23.5
392.15994	18.3
392.21066	23.0
393.25211	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	392.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.0
55.05499	0.9
56.05022	1.4
56.59681	0.7
57.03425	1.1
58.99579	4.2
59.05003	4.2
65.03927	1.5
67.05501	3.6
69.03430	3.2
69.07057	1.8
69.89989	3.5
70.06587	5.4
71.04993	10.5
72.08159	1.1
73.01125	5.2
74.00656	1.4
76.02234	7.5
79.05485	3.6
81.03421	1.5
81.07040	4.3
84.08165	1.5
85.02937	1.3
86.06056	1.3
86.99052	3.6
87.04468	15.9
88.02209	7.4
88.03996	5.2
91.02177	8.7
91.05478	4.2
93.07032	8.8
95.04965	16.4
95.08604	5.2
97.06538	1.3
99.02666	2.2
99.08095	3.3
100.02188	5.8
101.00600	6.1
102.05533	3.3
105.00089	4.7
105.07027	8.0
107.04961	5.9
107.05581	1.2
107.08580	7.5
109.06508	2.4
109.10165	3.4
111.02657	1.4
116.01691	2.0
117.07036	1.1
119.01637	100.0
119.08583	4.7
120.08106	1.2
121.06467	1.4
121.10142	6.5
122.02722	47.1
123.11704	1.4
125.04202	0.9
125.09656	4.1
126.03721	2.7
127.02145	3.7
127.07481	1.2
127.11189	2.3
130.07735	1.2
131.08572	9.0
132.01154	2.0
133.10120	3.5
134.02727	2.1
135.11703	1.1
135.84497	0.8
137.09621	1.7
139.11223	1.2
143.08546	1.0
143.10652	5.1
144.04747	1.6
145.03162	5.5
145.10129	7.4
146.02745	4.5
147.04428	1.7
147.11687	4.9
149.09607	14.0
149.13216	1.0
152.05287	1.2
157.10118	2.0
160.43988	1.0
161.09619	1.4
162.02266	1.1
162.05846	2.0
163.05789	1.8
163.11188	2.0
165.12794	1.2
170.06384	1.0
172.04257	4.1
173.02739	1.2
174.96913	1.1
175.11078	1.6
175.14929	0.9
175.44048	0.8
176.67676	0.9
189.16495	1.0
190.05333	8.1
191.03717	12.8
193.15967	1.8
198.05759	5.1
199.14832	2.0
204.06873	0.9
208.06380	63.6
211.13231	1.5
214.08971	1.2
215.13770	1.1
216.06929	1.4
216.98065	1.2
217.15887	8.9
234.98981	2.6
235.16928	7.1
236.98360	1.1
249.13158	1.2
267.13998	1.2
285.15189	1.4
292.99677	2.2
338.17816	14.6
351.03806	1.3
356.18842	19.0
374.19949	20.4
392.16000	5.6
392.21014	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	392.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.6
56.96552	1.6
57.03413	1.3
57.07066	1.9
59.89156	0.9
64.45703	0.7
66.92499	0.9
67.05494	2.5
69.07063	2.5
70.04067	8.8
70.39935	3.3
71.14742	0.9
79.05502	4.8
81.07039	3.5
83.08637	0.9
85.02904	1.1
86.09664	0.9
91.05482	2.4
93.07024	2.3
93.53954	0.8
95.04955	2.1
95.08588	1.7
97.02918	1.0
98.21434	1.1
103.05454	2.3
105.07059	1.5
107.04946	100.0
107.08570	1.3
108.05238	1.3
109.10133	1.0
119.08565	1.4
120.08096	98.4
121.06484	4.2
121.08435	2.2
121.10130	1.8
131.04916	2.1
133.10155	1.0
134.99623	0.9
145.10117	1.4
149.02328	0.9
150.02664	1.1
151.17506	0.8
154.13397	1.3
158.97600	1.5
163.07484	3.1
176.10660	1.4
177.16534	0.8
179.08525	2.7
180.10179	95.9
181.10570	2.4
202.45665	1.0
220.02748	1.2
238.03827	2.2
249.02370	1.2
251.02075	1.0
255.24768	0.8
286.14389	5.0
318.10126	1.1
322.93756	0.9
336.11218	1.4
351.18185	1.4
357.00925	0.9
391.96698	1.8
392.18958	1.0
392.24380	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	392.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
55.01863	2.3
55.05508	10.4
56.05039	5.6
57.03443	3.9
58.06596	2.2
60.04512	0.7
62.06090	14.9
65.03930	2.6
67.04233	2.8
67.05504	28.0
67.10333	0.7
68.05033	6.1
69.03417	1.8
69.05813	0.8
69.07069	9.2
70.01556	1.2
70.01950	2.3
70.02930	1.4
70.06597	11.3
71.04988	2.1
72.04510	2.0
72.08148	5.5
73.02899	0.6
74.06085	1.4
79.05060	1.5
79.05492	20.3
79.14857	0.7
80.05019	46.3
81.03420	5.1
81.05773	1.7
81.07057	34.0
82.06581	44.8
83.05009	1.4
83.06935	0.9
83.08618	3.2
84.01439	0.8
84.04507	2.5
84.08149	5.5
85.06535	1.1
85.97385	0.7
86.09699	5.4
91.05481	18.8
93.05786	2.4
93.07046	31.1
94.06567	16.2
95.04973	4.3
95.06915	0.8
95.07367	7.9
95.07899	1.1
95.08009	1.1
95.08608	10.9
96.04510	4.1
96.08133	10.7
97.06530	2.4
97.10155	0.7
98.06058	3.2
98.98470	23.3
99.04473	1.0
100.07633	5.4
105.07029	14.0
106.06544	4.4
107.04928	2.2
107.07384	3.5
107.08591	10.2
108.08129	12.8
109.06556	1.3
109.08892	1.6
109.10159	2.2
110.07143	1.3
110.09681	8.9
111.08078	1.7
114.05525	1.4
117.07050	4.7
119.08584	4.2
120.08121	7.5
121.06526	1.0
121.08865	0.9
121.10183	3.9
122.09646	2.7
123.07995	0.9
123.10458	1.4
124.01615	3.0
124.07585	1.9
124.11224	1.1
125.00012	1.7
126.09147	1.7
129.05411	1.1
129.07036	1.3
129.10234	2.6
131.08560	6.5
132.08084	0.9
133.08708	0.8
133.10143	7.0
134.09657	1.7
135.08040	1.1
135.10776	0.7
135.11678	4.4
136.07576	1.7
136.11220	1.6
138.09116	2.0
145.07600	1.3
147.09157	2.6
147.11690	1.4
148.11211	1.0
149.09579	0.8
149.13249	7.7
155.01010	4.1
159.11696	8.4
161.13193	1.4
162.03210	1.5
169.08604	1.1
173.02094	2.0
173.07114	1.1
175.08714	2.0
177.11203	1.3
177.12750	21.7
180.04161	1.1
184.07254	1.1
185.13210	1.1
191.08159	10.2
192.17419	5.6
195.13937	0.9
198.05241	1.3
216.06369	1.6
218.15520	1.4
220.16962	91.3
221.17197	3.5
233.09346	0.8
234.19572	0.7
238.18021	40.4
239.18391	1.3
251.16437	31.7
252.16878	1.5
256.19122	2.3
274.92859	0.8
276.19464	1.4
294.20651	16.6
300.13516	3.7
307.12906	1.5
312.21756	8.6
318.14651	13.0
331.13141	1.6
336.11755	1.4
336.15680	14.3
349.14078	1.4
374.17288	57.7
375.12161	1.7
375.17648	2.5
392.18326	100.0
393.12781	2.4
393.18649	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	392.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30301	0.4
53.03936	0.4
53.54845	0.4
55.05489	0.6
57.07072	20.8
58.03280	0.4
61.42192	0.4
67.05484	1.1
69.03389	0.5
69.07057	5.6
70.04072	22.3
70.91466	1.4
71.04975	0.5
71.08616	0.6
74.67442	0.4
79.05470	2.5
81.07056	4.1
82.04121	0.4
83.04969	1.5
83.06118	0.5
83.08639	0.4
86.09711	0.5
89.61827	0.4
91.05467	0.8
93.07047	1.4
94.06541	0.6
95.04880	2.6
95.08568	0.4
98.09651	1.6
98.98477	0.6
98.99969	0.5
99.04440	0.9
105.06989	0.6
107.08609	0.4
108.08081	1.0
109.06495	0.8
110.03517	8.6
110.07257	0.7
111.08067	1.3
112.00757	1.0
113.01571	0.4
121.06431	0.8
121.10111	0.8
125.01542	1.1
125.10759	0.5
126.99448	0.8
127.03899	2.0
128.00249	0.7
129.01044	2.3
135.09132	0.9
135.11674	1.0
136.07701	0.4
136.08694	0.7
137.09642	0.8
138.01050	0.7
138.99442	0.7
141.01003	3.5
148.08716	0.8
152.11815	1.6
153.10150	0.5
155.00925	0.4
160.08807	0.8
163.08646	0.8
163.11168	0.4
167.10664	1.0
169.00511	1.1
169.04201	2.8
171.08083	0.7
179.62117	0.5
180.03209	0.5
180.11351	2.1
181.08586	1.2
185.09641	0.4
186.10419	0.9
193.04019	0.6
195.02065	1.4
197.07295	1.1
222.04105	0.5
224.02380	0.7
232.02733	0.7
246.06825	0.6
249.04256	1.2
250.03726	1.0
264.07877	1.4
264.17087	1.1
267.04156	4.7
295.11142	0.7
305.10074	0.5
305.13123	2.0
306.10013	24.0
323.10419	4.6
347.15222	6.4
374.16370	0.7
392.17313	100.0
393.17667	1.8
405.16324	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30301	0.4
53.03936	0.4
53.54845	0.4
55.05489	0.6
57.07072	20.8
58.03280	0.4
61.42192	0.4
67.05484	1.1
69.03389	0.5
69.07057	5.6
70.04072	22.3
70.91466	1.4
71.04975	0.5
71.08616	0.6
74.67442	0.4
79.05470	2.5
81.07056	4.1
82.04121	0.4
83.04969	1.5
83.06118	0.5
83.08639	0.4
86.09711	0.5
89.61827	0.4
91.05467	0.8
93.07047	1.4
94.06541	0.6
95.04880	2.6
95.08568	0.4
98.09651	1.6
98.98477	0.6
98.99969	0.5
99.04440	0.9
105.06989	0.6
107.08609	0.4
108.08081	1.0
109.06495	0.8
110.03517	8.6
110.07257	0.7
111.08067	1.3
112.00757	1.0
113.01571	0.4
121.06431	0.8
121.10111	0.8
125.01542	1.1
125.10759	0.5
126.99448	0.8
127.03899	2.0
128.00249	0.7
129.01044	2.3
135.09132	0.9
135.11674	1.0
136.07701	0.4
136.08694	0.7
137.09642	0.8
138.01050	0.7
138.99442	0.7
141.01003	3.5
148.08716	0.8
152.11815	1.6
153.10150	0.5
155.00925	0.4
160.08807	0.8
163.08646	0.8
163.11168	0.4
167.10664	1.0
169.00511	1.1
169.04201	2.8
171.08083	0.7
179.62117	0.5
180.03209	0.5
180.11351	2.1
181.08586	1.2
185.09641	0.4
186.10419	0.9
193.04019	0.6
195.02065	1.4
197.07295	1.1
222.04105	0.5
224.02380	0.7
232.02733	0.7
246.06825	0.6
249.04256	1.2
250.03726	1.0
264.07877	1.4
264.17087	1.1
267.04156	4.7
295.11142	0.7
305.10074	0.5
305.13123	2.0
306.10013	24.0
323.10419	4.6
347.15222	6.4
374.16370	0.7
392.17313	100.0
393.17667	1.8
405.16324	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00021	0.6
55.05495	1.3
57.03430	1.4
57.07071	57.8
61.51830	0.6
67.05483	1.3
69.07059	5.3
70.04070	100.0
70.06574	0.6
79.05505	1.0
81.07052	1.2
83.04972	1.2
83.08612	1.1
84.08144	0.9
85.06554	2.1
91.05483	1.2
93.07043	1.2
96.19685	0.6
97.06537	1.3
98.21497	1.7
99.08083	1.1
103.05493	0.7
105.07035	0.8
107.04966	0.8
107.08749	0.6
107.19532	0.6
109.10122	0.6
112.07621	0.9
119.08618	1.1
121.02926	1.0
125.01536	9.8
133.10103	0.9
139.03120	2.7
141.01024	7.6
149.02306	0.9
153.01013	20.9
153.02243	1.1
155.02661	0.8
155.08173	1.9
165.01018	8.7
165.04730	0.6
167.02611	2.9
179.02661	3.3
181.00478	7.0
182.04999	0.7
191.02502	0.7
193.04013	0.7
197.07367	1.2
207.05890	0.6
209.07268	59.4
221.07263	9.0
227.08374	0.8
229.59593	0.9
230.53081	0.6
236.17653	1.9
237.06763	4.4
249.06831	1.3
267.07785	0.8
277.00677	1.3
323.14175	0.9
336.10910	0.9
351.14252	0.7
375.18225	1.2
387.15469	0.7
392.17444	2.4
392.25037	2.4
405.16129	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	392.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	2.0
56.96555	0.9
57.03429	0.7
57.07073	25.2
67.05482	2.4
69.04554	1.0
69.07066	84.3
69.71540	0.7
70.07833	4.2
70.35082	3.4
79.05492	1.1
81.07050	1.4
85.02915	1.2
85.06530	0.9
85.65242	0.8
91.03946	1.0
91.05460	2.4
95.04926	1.1
96.27368	0.8
97.49378	0.7
98.99978	3.7
105.07027	1.0
105.14719	0.8
107.04919	1.7
113.01530	1.4
115.07558	6.3
121.06519	1.2
126.99469	6.8
129.01024	14.4
133.10147	1.0
139.00549	1.2
140.10721	0.9
141.00998	19.1
149.02351	1.2
154.09734	1.1
155.02550	6.5
161.09627	1.5
168.11342	4.8
181.12082	6.4
181.13585	1.0
197.07278	31.3
208.10776	12.2
213.11099	8.0
250.15483	2.8
265.17874	8.3
381.12836	0.9
392.17319	100.0
393.17670	3.5
396.57233	0.8
403.44571	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.9
57.07072	27.5
67.05482	2.9
69.07063	100.0
70.04070	2.5
70.07839	4.4
71.08616	1.5
71.59521	1.1
81.07021	2.1
83.08609	3.2
93.07024	1.2
95.04951	1.3
95.08613	2.0
97.10125	1.0
98.98456	6.0
98.99991	3.4
105.07023	2.8
107.08590	0.9
108.08166	1.0
109.10157	1.2
111.40806	1.0
113.01571	2.4
115.07555	29.5
120.05626	1.1
121.10140	1.4
126.99454	8.9
129.01024	15.6
135.11699	1.1
141.01012	16.9
148.08684	1.0
149.02339	1.7
150.10245	11.8
155.01042	5.9
155.02567	9.8
161.09650	1.8
161.82176	0.9
162.10275	11.1
163.10979	1.4
180.11282	2.4
190.09792	3.6
195.10031	1.7
197.07274	51.7
198.07509	1.3
225.06773	4.3
238.22426	2.0
247.16876	2.0
258.48331	1.0
265.17874	1.4
272.69406	1.1
322.09494	25.2
374.11920	1.7
374.16299	15.7
392.17313	66.5
393.17667	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.4
56.96566	0.7
57.07072	31.0
67.05483	1.8
68.03768	1.0
69.03413	1.6
69.07064	10.0
70.04071	30.2
71.05001	1.0
71.08620	0.8
79.05486	2.6
81.07055	6.2
82.04073	0.8
83.04968	2.7
83.08610	1.8
87.03362	0.7
87.75314	0.7
89.59647	0.7
91.05475	1.5
93.07041	1.8
95.04895	2.7
95.08593	0.9
98.09698	0.9
98.20670	1.2
98.98481	1.4
99.04424	1.5
105.07020	1.0
107.08582	1.0
109.06496	1.7
109.10183	0.7
110.03531	10.9
110.07192	0.7
111.08028	1.4
112.00761	1.5
113.01564	1.1
118.32723	0.9
121.10165	1.1
124.10172	0.7
125.01563	1.3
126.99511	1.3
127.03928	4.7
128.00278	1.9
129.01012	2.5
131.08623	0.8
135.11719	0.9
136.08682	1.1
136.31302	0.7
136.45657	0.8
138.99437	2.0
139.00510	0.8
141.01007	6.8
145.06516	0.8
149.02292	0.7
152.11844	0.9
153.09125	0.9
155.01006	0.9
167.10687	1.2
169.00531	2.9
169.04120	5.2
179.02582	1.1
181.00494	1.0
181.08574	3.1
193.04056	1.3
195.02077	2.4
197.07251	3.1
203.05986	1.2
207.05688	1.4
208.10831	0.9
222.04340	1.0
224.02277	1.1
232.02737	1.0
249.04420	1.0
264.07776	0.9
267.04123	9.1
285.10098	1.8
286.10306	1.2
306.10016	35.2
318.18158	1.1
323.10416	10.1
347.15247	3.2
384.92654	0.8
392.17331	100.0
393.17572	2.1
405.16345	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.4
56.96566	0.7
57.07072	31.0
67.05483	1.8
68.03768	1.0
69.03413	1.6
69.07064	10.0
70.04071	30.2
71.05001	1.0
71.08620	0.8
79.05486	2.6
81.07055	6.2
82.04073	0.8
83.04968	2.7
83.08610	1.8
87.03362	0.7
87.75314	0.7
89.59647	0.7
91.05475	1.5
93.07041	1.8
95.04895	2.7
95.08593	0.9
98.09698	0.9
98.20670	1.2
98.98481	1.4
99.04424	1.5
105.07020	1.0
107.08582	1.0
109.06496	1.7
109.10183	0.7
110.03531	10.9
110.07192	0.7
111.08028	1.4
112.00761	1.5
113.01564	1.1
118.32723	0.9
121.10165	1.1
124.10172	0.7
125.01563	1.3
126.99511	1.3
127.03928	4.7
128.00278	1.9
129.01012	2.5
131.08623	0.8
135.11719	0.9
136.08682	1.1
136.31302	0.7
136.45657	0.8
138.99437	2.0
139.00510	0.8
141.01007	6.8
145.06516	0.8
149.02292	0.7
152.11844	0.9
153.09125	0.9
155.01006	0.9
167.10687	1.2
169.00531	2.9
169.04120	5.2
179.02582	1.1
181.00494	1.0
181.08574	3.1
193.04056	1.3
195.02077	2.4
197.07251	3.1
203.05986	1.2
207.05688	1.4
208.10831	0.9
222.04340	1.0
224.02277	1.1
232.02737	1.0
249.04420	1.0
264.07776	0.9
267.04123	9.1
285.10098	1.8
286.10306	1.2
306.10016	35.2
318.18158	1.1
323.10416	10.1
347.15247	3.2
384.92654	0.8
392.17331	100.0
393.17572	2.1
405.16345	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64804	1.2
53.03925	1.4
53.41632	1.3
55.05495	3.7
57.07073	100.0
63.36932	1.4
67.05489	3.8
67.07349	1.1
69.03408	5.9
69.07063	36.8
70.04071	20.4
70.07851	1.5
71.04988	8.1
79.05478	3.1
80.21297	1.5
81.07035	6.9
83.04977	13.7
93.07019	2.7
95.04932	2.8
95.08593	1.6
97.06537	2.6
98.21471	4.3
98.98471	1.8
99.00003	2.2
99.04461	7.1
103.05495	1.6
105.06991	2.0
107.08568	2.5
109.10146	1.3
110.03522	8.5
111.08074	1.7
111.64944	1.6
112.00773	1.8
113.01563	6.5
121.10137	3.1
123.11767	1.4
125.01543	2.2
125.09642	2.7
126.99435	4.0
127.03906	21.9
128.00146	1.2
129.01027	10.6
130.07957	1.4
136.08733	1.9
137.09604	5.0
139.00587	2.1
141.01003	33.9
152.11911	1.6
153.09120	4.2
155.00977	1.3
155.02536	2.4
161.83757	1.3
167.10643	6.8
169.00514	17.5
169.04146	26.1
171.08029	1.5
179.02429	1.2
181.08595	15.3
183.05783	3.4
186.10432	1.5
193.04141	4.5
195.02104	2.8
196.10797	2.8
197.07291	13.7
207.05728	5.6
208.10782	2.2
225.06841	2.8
227.04698	2.9
267.04172	51.7
268.04550	1.6
281.09293	1.3
285.05319	3.1
285.10056	2.1
306.10013	27.7
323.10416	48.7
324.10962	1.9
347.15158	2.3
351.14600	2.0
387.15302	1.8
392.17352	92.7
405.16501	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.05508	4.6
57.07071	98.8
59.04967	1.5
67.05493	2.6
68.53262	0.9
69.03428	5.1
69.07063	32.6
69.54111	4.2
69.54519	2.7
70.04072	26.9
70.07834	1.6
70.50995	0.9
71.04987	5.5
79.05479	1.9
81.07042	7.3
83.04973	10.1
93.07036	1.5
95.04909	2.8
97.06512	2.1
97.10204	1.0
98.09695	1.2
98.98465	1.6
99.00013	1.8
99.04443	7.7
102.77864	0.9
105.07085	1.5
107.08566	2.3
108.08129	1.6
109.06527	1.7
110.03516	7.6
111.04465	1.4
111.08048	1.7
113.01555	6.8
121.10122	3.0
123.11725	1.5
125.01528	2.4
125.06026	1.3
125.09599	2.1
126.99472	4.5
127.03911	20.6
128.00246	1.2
129.01012	10.1
129.07022	1.1
130.07787	1.5
137.09595	3.7
138.99487	2.3
139.07568	1.3
139.11171	1.5
141.01004	31.8
141.02087	1.8
145.06432	1.5
146.07062	1.0
149.00748	1.0
152.00229	1.1
152.11844	3.8
153.09093	2.7
155.02557	2.0
165.01065	1.8
166.98950	1.4
167.10684	6.2
169.00513	13.5
169.04144	23.4
171.08101	1.7
178.09752	1.1
179.02731	1.2
180.11266	2.2
181.08554	13.6
183.05750	2.5
186.10306	1.1
193.04143	4.9
195.02159	1.3
196.10983	3.0
197.05595	1.6
197.07275	11.9
207.05717	3.7
209.03644	1.3
223.05180	1.8
225.06958	1.2
227.04625	1.4
255.04295	1.0
264.07932	1.3
265.17905	1.4
267.04156	47.9
268.04477	1.1
277.00580	1.1
285.05286	1.7
291.01917	1.0
291.09171	1.4
295.11057	2.0
305.13080	1.6
306.10004	29.5
308.06851	1.1
323.10419	48.5
324.10809	2.0
347.15100	7.3
392.17374	100.0
393.17773	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.9
55.05480	7.3
56.96543	2.2
57.07078	15.2
61.02890	3.3
65.02740	2.0
67.05499	10.1
69.03396	2.3
69.07071	12.7
69.31740	17.4
69.48757	1.8
70.04062	3.7
70.06555	3.3
70.16980	1.9
71.08600	2.9
79.05485	16.2
81.07055	24.9
85.06528	3.3
91.04984	1.9
91.05476	21.3
93.07044	19.5
95.04971	20.1
95.08588	12.7
99.29466	2.1
103.05448	3.1
105.06400	2.7
105.07020	36.6
107.04909	2.7
107.08592	13.1
109.06461	6.0
109.10084	8.4
117.06950	8.4
119.08565	27.4
121.06450	4.7
121.10133	14.0
123.08013	3.5
123.11613	2.5
128.06218	3.8
129.07016	10.0
130.07718	3.6
131.08556	13.4
133.10045	8.3
135.08008	2.3
135.11665	2.8
137.09558	2.0
142.07677	8.6
143.08545	17.3
145.10101	23.6
147.07970	3.4
147.11632	5.9
149.02330	16.2
149.09552	2.5
153.06938	2.2
155.08430	6.4
156.09254	6.3
157.06349	2.1
157.10139	18.4
158.10838	2.5
159.07991	5.5
159.11649	10.1
161.09560	4.3
161.13205	2.5
167.08508	4.2
167.97665	1.9
169.10104	14.3
170.10747	2.3
171.07983	2.4
171.11687	10.8
173.09543	3.0
173.13203	4.9
175.11082	7.1
179.08453	7.7
180.09204	2.9
181.10028	8.3
182.10712	2.7
183.11542	5.8
185.13173	4.3
192.09230	3.2
193.10002	7.6
194.10858	2.8
195.11601	9.4
196.12325	2.0
197.13228	9.2
199.10983	4.6
199.14635	3.9
200.73691	2.3
203.10641	2.4
205.10043	3.5
206.10796	4.4
207.11562	9.0
208.12254	4.8
209.13232	9.2
211.14764	4.7
213.12621	2.6
213.16345	2.3
215.13976	1.9
219.11571	4.3
220.12357	2.6
221.13095	6.5
223.14792	3.5
225.12636	2.5
225.16283	2.8
227.14333	2.0
231.17314	3.0
232.12325	2.8
233.13052	4.6
233.15279	3.0
234.13876	2.2
235.14745	3.7
237.16284	2.5
246.14043	2.9
249.16179	5.6
253.15848	2.8
259.16858	4.4
263.17868	3.5
267.17194	3.3
269.18927	2.2
275.17783	2.3
279.17249	2.6
297.18137	2.3
333.17264	3.5
335.19690	4.4
341.98392	2.0
373.24921	9.2
391.24527	100.0
391.35660	12.0
392.17218	5.0
392.24646	5.7
405.15750	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	391.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64108	0.2
57.07074	0.4
71.44434	0.5
78.50341	0.3
83.39370	0.3
88.01354	0.3
91.05464	0.3
93.07034	0.4
98.98508	0.3
119.08639	0.3
132.16229	0.3
134.61343	0.3
136.06004	0.3
138.04753	0.3
149.02341	1.4
155.01038	0.4
317.20752	0.5
391.24539	100.0
392.25082	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44344	4.4
71.08627	0.7
81.07006	0.6
100.87604	0.6
111.05578	0.6
114.73389	0.5
149.02364	1.2
164.20200	0.6
277.86978	0.7
343.32886	0.8
384.66846	0.6
391.24548	100.0
392.24826	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	391.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.1
56.27831	0.5
56.96548	1.8
57.07074	12.4
67.05486	1.9
69.03431	0.7
69.06719	0.6
69.07065	5.9
69.62124	3.5
70.04060	1.3
70.06583	0.8
71.08591	0.6
79.05471	1.2
81.07025	1.3
81.62221	0.5
91.05474	1.2
93.07028	1.9
95.04984	0.7
95.08596	1.2
105.07027	1.1
107.08566	0.7
109.78900	0.5
119.08559	0.7
121.06480	0.5
121.10178	0.6
123.01240	0.6
124.42518	0.4
131.08525	0.9
133.10083	0.8
135.11655	0.6
141.00945	0.6
143.07040	4.0
143.93871	0.6
145.10205	0.6
149.02341	2.5
157.10124	1.0
159.11679	0.6
162.10277	1.0
175.11133	0.9
181.32663	0.5
197.07259	1.7
203.06079	0.7
203.10649	1.3
231.17499	1.9
268.94730	0.5
269.10590	0.5
270.10803	0.7
285.10123	0.9
329.32458	0.8
351.18469	2.0
369.19388	3.4
374.16330	1.5
391.24518	100.0
392.17035	0.9
392.24939	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
60.65284	1.0
67.84786	1.0
69.26360	10.1
89.39225	1.0
121.07053	0.9
131.08183	1.2
149.02356	3.0
173.90564	1.0
236.61113	1.2
295.68399	1.1
305.26157	1.0
348.66440	1.0
391.24576	100.0
391.35318	2.4
392.24911	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	391.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08324	0.8
55.05513	1.8
56.96557	2.3
57.03426	1.0
57.06816	0.7
57.07067	4.8
57.50923	0.7
58.61097	0.8
61.02918	1.9
67.05492	6.1
69.03416	1.5
69.07047	3.8
70.04052	1.8
70.34282	3.2
70.46610	0.7
71.04976	0.9
71.08646	0.9
73.02913	0.9
79.05483	3.7
81.03402	1.8
81.07043	5.7
83.04980	1.5
83.08633	0.8
85.02879	1.6
86.09727	0.8
89.60932	0.7
91.03951	1.9
91.05469	3.8
93.07043	4.1
95.04983	2.4
95.08587	3.1
97.02872	2.2
98.21483	1.2
98.97587	1.0
105.07020	5.0
107.04928	2.9
107.08596	1.3
109.02840	0.8
109.06500	1.0
109.10130	4.7
116.98598	1.4
117.07008	0.9
119.08588	3.0
121.10138	2.0
123.08004	1.1
123.11712	1.0
127.03934	1.0
129.07016	1.3
131.08548	0.9
133.10112	2.2
134.99626	3.1
135.11674	1.8
143.08484	1.0
144.00761	1.1
145.10115	2.4
147.11674	1.6
149.02289	6.5
153.00699	0.9
155.43497	0.8
157.10117	1.4
159.11691	1.6
169.10028	1.2
171.11739	1.1
173.11760	1.1
203.58794	1.1
217.07446	1.1
229.14366	1.9
238.03703	0.9
257.31708	0.8
269.12595	1.2
270.12753	1.1
277.21634	0.9
283.97311	2.7
311.96481	1.1
368.02716	3.8
391.24533	100.0
392.24881	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.7
56.96568	3.7
57.07056	0.9
67.05481	1.1
69.07037	0.9
70.14009	1.0
70.14426	1.7
71.08609	0.5
79.05494	1.0
81.07041	1.4
91.05495	0.7
93.07046	1.1
95.04931	0.6
95.08578	0.7
105.06989	1.2
107.08605	0.6
109.10116	1.2
119.08553	0.7
121.10120	0.7
131.08636	0.5
149.02330	1.5
173.11786	1.1
185.51004	0.5
189.04337	0.6
199.06360	0.8
203.05858	0.7
213.08005	0.6
217.07489	1.3
255.09056	0.9
267.09009	1.8
269.07993	0.6
269.10510	2.8
272.63156	0.5
273.10068	1.7
285.10101	2.9
287.11621	2.2
321.16586	1.2
333.17212	0.7
351.18488	2.4
368.02859	0.7
369.19434	6.0
387.20374	1.3
391.24512	100.0
392.25006	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	19.3
57.07055	2.6
58.06587	7.1
60.04518	4.1
63.47094	2.4
66.36525	2.2
70.06585	17.6
72.08132	8.5
74.06078	64.8
82.06584	2.7
84.04494	17.5
84.08141	12.1
86.06066	3.6
86.09702	72.2
87.05581	6.3
101.07156	25.6
102.05536	3.5
107.04961	7.3
110.07119	3.3
113.05982	2.6
120.08092	2.9
126.12752	3.3
132.10168	2.3
142.12256	11.6
143.11739	5.1
149.02327	28.3
159.07658	9.5
162.72758	2.9
167.03406	2.9
177.08720	43.0
187.14413	100.0
215.13911	31.0
230.89334	2.3
237.02893	2.6
248.25214	2.5
272.16034	7.1
276.07498	5.6
299.38300	2.7
316.18484	3.4
373.20776	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	391.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81048	1.2
55.05482	1.6
56.96565	6.8
57.07061	1.6
69.07059	2.0
69.49844	7.9
69.50252	2.9
70.06609	2.1
79.05474	1.9
81.07032	1.5
88.48621	1.4
93.07029	1.5
95.08584	1.4
114.26070	1.2
116.98614	1.3
117.06985	1.9
119.08515	1.4
121.10066	1.3
128.26212	1.5
134.99631	4.8
149.02336	11.3
153.00671	2.2
169.10112	1.6
236.62689	1.3
261.94614	1.4
282.33911	1.3
283.97256	1.7
317.17200	1.7
320.32266	1.4
350.17105	2.0
351.18628	1.6
368.02881	1.5
368.18448	3.3
391.20648	100.0
391.24652	11.9
391.29807	3.4
392.21036	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	391.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62405	1.0
53.03941	1.1
54.69534	1.1
55.01871	1.6
55.05506	6.1
56.05011	0.9
56.96554	2.5
57.03424	3.4
57.07063	4.0
59.04995	1.3
61.02921	5.2
64.69281	1.1
67.05498	14.4
67.51675	0.9
69.03408	3.2
69.07057	6.3
69.63084	8.2
70.06573	4.9
70.07406	1.0
71.04978	1.0
71.08623	3.2
72.08154	1.1
73.02894	2.1
79.05480	5.5
79.05869	1.2
80.05014	6.8
81.03407	2.8
81.07040	7.3
82.06562	2.9
83.08614	4.2
85.02894	6.6
87.04420	1.2
90.00399	0.9
91.03982	5.4
91.04473	1.0
91.05474	8.4
93.07036	4.1
94.06558	1.9
95.04950	2.8
95.08609	5.6
97.02883	5.1
97.06498	1.2
97.10184	2.4
98.21420	2.2
98.97591	3.9
105.07042	3.3
106.06508	1.2
107.04948	100.0
107.08584	3.1
107.75169	1.1
108.05295	2.1
109.10136	12.1
116.98607	3.6
118.06521	2.8
119.08562	4.0
121.06503	2.3
123.04433	1.8
123.08029	1.2
125.01527	2.0
127.03912	2.3
129.07010	1.7
130.06517	9.1
131.00185	1.3
131.08574	2.4
133.10146	1.6
134.99658	2.4
143.07278	1.1
143.08524	1.3
144.08101	4.9
145.05020	1.6
145.10069	1.8
146.99628	1.4
149.02319	10.6
154.06522	5.9
155.07198	1.6
155.10637	1.1
156.08075	2.9
157.10114	1.4
158.09683	1.2
158.99600	2.2
160.97330	2.3
167.03430	1.5
167.07286	1.8
168.08092	10.1
169.07594	2.9
169.08858	4.4
170.09642	3.8
172.11212	4.5
173.01237	1.3
173.11726	5.1
177.00754	2.3
180.08025	9.8
182.08319	2.1
182.09671	3.7
183.09143	2.0
184.11223	32.0
186.12831	3.5
191.02235	1.2
194.04840	1.5
194.93515	1.7
196.11342	5.3
197.10706	21.6
197.12384	1.6
198.09160	1.0
198.11227	1.7
198.12781	10.6
199.12334	1.5
200.10719	6.3
212.14288	7.0
213.13799	1.8
215.06065	1.3
216.06496	1.5
224.10721	1.4
224.14340	4.8
225.10339	1.2
229.14246	6.2
236.10640	8.8
237.02930	1.3
239.15446	2.6
240.16164	3.0
241.16991	8.1
242.11754	21.0
243.09030	1.1
243.11403	2.1
246.09157	2.4
246.14854	1.0
248.10764	1.4
250.12117	1.0
260.10672	1.9
268.13391	3.7
285.12439	3.1
285.15884	24.9
285.18869	1.9
288.13889	3.5
290.15384	31.4
291.15662	1.4
297.12601	1.3
304.22668	1.2
311.49689	1.0
348.15936	7.6
350.18686	1.4
363.21030	1.3
374.17523	1.3
378.55374	1.0
391.20181	93.5
392.20602	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1576
Annotation	Chidamide
Peak:m/z	Relative Intensity
55.05500	0.4
56.05033	0.7
56.73162	0.3
57.07074	0.5
60.04519	1.0
69.03419	0.5
69.07063	0.4
70.06593	9.4
71.06934	0.5
71.57450	0.4
72.08163	4.0
74.06079	0.4
79.92618	0.3
83.06041	0.3
84.04507	2.6
84.08146	7.7
85.02910	0.7
86.06045	0.4
86.09707	3.9
88.04014	0.3
95.04972	0.4
97.02916	0.4
98.09674	0.9
102.05584	0.4
103.05458	0.4
107.04947	0.9
110.07172	1.9
112.08698	0.3
115.08680	0.6
115.47982	0.3
116.07098	0.6
119.01882	1.2
120.08102	4.7
129.10246	3.6
130.05006	0.4
130.06552	0.3
131.01894	1.0
131.04929	0.6
132.08057	0.7
136.07605	0.6
143.01904	0.4
145.03479	0.5
149.02312	2.7
155.01900	1.3
155.02968	0.3
157.03488	0.3
158.71986	0.3
159.09200	0.4
161.02933	1.0
165.10196	0.4
167.03365	0.3
173.02959	1.6
175.04523	0.5
185.02919	0.8
187.08417	0.4
197.02969	0.4
203.03963	0.5
215.03966	0.6
226.11853	0.3
244.10579	0.3
259.11484	1.3
275.07446	0.9
276.13290	0.7
277.11417	0.5
319.12268	0.5
331.12289	0.6
335.09476	0.5
391.15741	100.0
392.16302	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	391.1575
Annotation	Chidamide
Peak:m/z	Relative Intensity
55.74855	0.6
56.96550	0.9
57.07068	0.8
69.03389	0.8
70.06593	2.9
70.19547	1.5
70.19949	1.4
71.08642	0.8
72.08154	4.1
73.12019	0.5
81.03410	0.9
84.04493	1.4
84.08125	2.0
85.02899	1.3
86.09710	0.9
91.05488	1.4
95.04948	0.8
97.02876	0.7
98.09679	2.2
98.20705	0.6
107.04957	9.4
108.05281	2.4
116.98611	1.5
117.03642	0.9
119.04943	1.8
126.49570	0.6
134.06010	1.1
134.99687	1.2
143.05615	2.0
147.04396	5.3
148.04710	1.8
149.02325	8.5
152.05585	1.0
152.07014	0.6
157.04723	3.5
162.96788	0.7
167.03308	1.0
178.97899	0.7
216.97922	1.0
234.96881	0.8
234.98940	2.9
245.09625	2.5
257.09897	1.4
275.10464	0.7
319.01178	0.7
320.49802	0.7
328.24799	0.7
333.10388	0.8
373.27032	0.8
391.15720	100.0
392.16415	3.1
402.19324	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69494	0.3
50.95612	0.3
51.95945	0.4
53.03940	0.7
55.05497	0.8
56.05041	0.6
56.98369	0.4
57.07063	0.4
58.99582	6.8
69.03416	0.5
70.06580	3.2
71.13294	1.0
72.08131	1.5
73.02908	0.5
76.02222	46.7
76.04000	1.4
77.03934	0.4
79.05470	1.3
81.03415	0.7
81.07034	0.4
83.06098	0.5
84.04504	1.3
84.08132	2.4
85.02906	1.3
86.09692	2.1
86.99052	2.1
88.02205	1.0
90.94825	0.4
91.05486	1.6
95.04951	1.8
95.08597	0.4
98.06037	0.4
101.07116	0.7
105.04527	0.4
107.04948	100.0
108.05274	2.6
109.02949	0.3
116.01667	13.7
116.98652	0.4
120.08112	1.6
121.02873	0.4
129.10240	0.5
130.05043	0.4
136.07565	0.5
137.06042	0.4
140.01634	2.5
143.05554	0.4
144.01138	7.3
145.02818	1.0
147.04414	1.0
149.02328	1.9
162.02190	28.0
163.02489	0.4
177.05455	1.2
179.04842	79.6
180.05161	1.1
199.93301	0.4
203.80997	0.4
215.01633	0.4
231.06450	0.5
245.13272	0.4
268.06366	0.8
285.08994	6.7
391.19702	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05983	0.0
53.03947	0.1
55.01866	0.1
56.49883	0.0
56.96547	0.1
57.03422	0.1
57.07070	0.1
58.42142	0.0
60.05637	0.2
61.02917	0.2
68.99767	0.1
69.03426	0.9
70.02528	0.1
70.02935	0.2
70.06581	0.2
71.01337	0.1
71.02478	0.0
71.04988	0.1
71.08626	0.1
72.08142	0.1
73.02896	0.1
73.04037	0.1
76.40670	0.0
81.03410	0.8
83.02448	0.2
84.04513	0.1
84.08132	0.1
85.02906	0.9
86.03529	0.1
86.09700	0.1
87.00832	0.5
87.04501	0.1
87.06709	3.9
95.04934	0.1
95.06119	0.1
97.02888	0.5
98.03410	0.0
98.06008	0.0
99.04447	0.2
101.03500	0.1
105.01851	0.1
107.04945	1.1
108.05272	0.1
109.02876	0.5
113.04580	0.3
113.07144	0.1
114.03072	0.1
115.06178	0.1
116.98608	0.1
117.01815	0.1
119.01874	0.1
125.04610	0.2
126.03013	0.3
127.03925	0.6
129.01843	0.1
141.02946	0.1
141.04068	1.1
142.04865	0.2
143.05632	100.0
143.29890	0.0
144.06096	0.4
145.04959	0.1
147.04347	0.0
149.02365	0.5
159.02890	0.2
161.03055	0.1
174.79225	0.0
185.06644	0.3
188.11571	0.1
203.07620	0.1
229.15468	0.1
231.05086	0.1
237.02858	0.1
273.08005	0.0
305.10883	1.3
373.10065	0.2
391.10913	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	391.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48922	0.7
53.91285	0.6
55.01870	0.7
55.05488	1.8
55.93512	1.7
56.05014	2.1
56.94302	3.3
56.96551	1.2
57.03424	1.4
57.07059	0.9
61.01138	0.8
61.02911	2.8
65.03933	0.7
67.05501	8.3
69.03419	5.3
69.07061	1.2
69.59770	3.9
69.60181	1.1
70.06585	4.2
70.95862	4.3
71.04983	1.3
71.08611	2.5
71.93015	1.2
72.08153	3.2
72.93390	1.1
72.93784	19.2
73.02908	1.6
73.94566	0.8
74.35026	0.7
74.95341	1.6
79.05482	1.5
81.03416	4.9
81.07030	2.4
83.04951	1.8
83.08607	1.2
84.04475	1.3
84.08129	3.3
85.02908	5.7
86.09700	1.7
87.04449	0.7
88.96878	2.6
90.94264	0.9
90.94826	16.8
91.03941	1.8
91.05483	1.4
93.07044	1.5
95.04948	1.0
97.02895	5.0
98.09708	0.8
98.21465	1.3
98.97544	0.8
99.04496	0.7
101.07107	0.7
102.94778	1.1
104.05281	2.0
104.96380	1.5
106.97907	1.0
107.04960	7.7
107.08567	1.2
108.05207	0.7
108.37411	0.6
108.95860	7.4
109.02863	2.8
109.10157	6.8
110.07135	0.9
111.04416	0.7
113.96384	0.8
114.94822	1.0
116.96356	2.2
116.98633	1.7
118.94319	1.4
119.08539	1.8
120.08104	1.6
120.95844	1.2
121.06506	0.7
122.97419	0.8
125.96110	0.7
127.03893	2.2
128.96358	5.4
129.10217	0.8
130.97871	1.5
132.95834	28.2
134.97382	3.0
134.99649	1.6
136.07529	0.6
136.95296	3.2
138.09122	1.0
140.96289	3.3
144.94788	1.2
144.95830	13.2
146.97412	6.0
148.98946	1.9
149.01236	1.0
149.02335	5.2
150.96880	24.2
152.96323	1.2
155.97437	1.7
156.95819	2.6
158.97395	38.1
160.98996	0.8
161.02589	1.5
162.96890	16.7
167.97404	1.0
168.95815	11.6
170.97398	5.0
173.11736	3.1
174.96892	13.2
176.98447	22.8
177.00755	1.7
178.96393	0.9
179.03564	0.7
181.98944	0.9
186.95175	1.2
186.96877	24.6
187.05965	0.8
187.97284	0.9
188.98415	5.8
190.96306	1.1
192.97958	5.1
196.03992	0.7
198.96887	9.9
200.94855	2.8
200.98409	0.9
203.03586	2.2
204.97899	7.7
209.98497	1.2
215.03661	1.5
216.97926	26.9
218.95891	2.0
218.99475	2.2
219.01625	1.2
221.04691	1.8
229.05208	1.0
229.14304	8.2
230.95831	0.9
234.98987	100.0
235.99316	1.7
239.03601	1.4
239.99474	2.3
242.95941	1.1
245.04732	6.4
253.00060	19.3
254.00122	0.8
257.04724	6.7
258.00583	8.4
260.96921	3.2
275.05484	0.8
287.05786	6.2
301.12939	3.9
302.98050	0.9
305.06793	36.9
306.06799	0.7
307.10632	2.3
322.09280	0.7
323.07858	35.6
346.09549	3.4
349.11740	1.4
372.40088	0.7
391.06955	4.8
391.11493	1.1
391.19806	0.9
391.24973	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.195
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	36.0
58.37337	2.4
64.69596	2.7
70.77545	4.2
70.77860	4.2
74.45188	2.8
79.05493	4.7
93.54574	2.5
107.04930	3.3
127.48276	2.5
128.98625	3.4
146.99655	6.3
155.03748	3.6
165.00760	2.6
169.01736	3.4
187.02805	4.1
191.05914	3.2
197.04851	3.1
217.07414	4.4
243.09050	5.9
261.10083	3.0
277.11197	9.5
295.12070	3.9
331.15759	37.6
349.13666	3.6
349.16901	100.0
358.80219	2.5
367.17880	3.8
372.18402	13.6
390.23068	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	390.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21170	1.8
54.17735	2.0
54.80706	1.8
56.96568	39.8
69.07066	2.5
69.29547	23.7
70.06602	2.7
71.95251	5.7
72.08141	2.1
72.20715	1.9
72.95200	1.9
79.05476	8.6
81.07066	3.1
84.08144	5.2
95.08577	2.6
107.04976	5.6
109.10162	2.7
115.00673	2.7
120.08079	2.0
128.98586	4.6
134.99553	2.3
146.99641	7.7
147.03328	2.1
149.01115	2.4
161.01213	2.7
165.00731	3.0
169.01715	3.5
173.04942	3.0
199.06310	2.9
243.09023	7.0
261.09979	4.9
277.11057	13.2
295.12244	3.5
313.14771	4.1
331.15793	50.5
349.16849	100.0
367.17725	7.3
372.18430	16.6
390.22998	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	390.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	57.1
57.07064	3.5
59.61420	0.5
61.12772	0.4
62.32598	0.4
67.05503	0.7
69.07045	1.5
70.80567	0.4
71.30089	0.6
71.30408	0.7
71.95255	5.6
72.96043	2.8
74.97607	1.5
81.07038	0.9
84.96017	1.1
92.98641	1.0
97.96844	1.3
98.97596	1.1
105.00135	0.5
105.36024	0.4
109.06484	1.0
110.97572	1.4
115.00667	1.0
115.97797	0.9
116.98608	1.0
118.07348	0.5
123.01189	1.8
127.00667	0.9
128.98584	3.3
133.01726	1.5
137.02708	2.9
139.00624	1.4
141.02206	2.3
143.00166	0.8
144.97803	0.6
145.01668	0.9
146.99648	5.7
147.03246	1.0
151.00647	1.2
153.02220	1.5
155.03772	3.1
157.01709	2.9
159.03261	1.9
161.01222	1.0
161.04898	0.8
165.00731	0.8
167.00391	0.6
167.02432	0.6
167.03790	1.9
169.01723	2.5
169.05313	1.2
171.03284	7.0
173.04865	1.8
175.02788	1.2
177.04337	0.9
179.10655	0.6
181.01662	0.7
181.05318	1.0
183.03296	1.0
183.06882	1.1
185.04832	7.1
187.02771	1.4
187.06383	1.4
189.04315	8.6
191.05872	1.4
193.05354	1.0
195.06830	2.8
197.04865	1.8
197.08575	0.9
198.62393	0.5
199.06401	7.8
201.04292	2.0
203.05870	11.3
203.07590	0.7
205.07491	1.3
207.06929	1.5
209.04788	1.6
209.06699	0.7
211.06464	4.5
213.07956	14.8
214.93765	1.1
215.05893	1.5
217.05450	0.7
217.07442	15.4
221.04971	0.7
221.06754	1.2
221.08516	1.8
223.02864	0.6
223.06418	1.1
225.07938	8.0
226.05223	0.5
226.07652	0.6
227.05899	0.9
227.09543	3.2
229.07474	4.4
231.06967	1.9
231.09013	25.2
232.94884	0.8
235.08519	0.6
236.09569	0.9
237.04327	1.6
237.07910	4.0
239.09550	6.9
240.09088	0.7
241.07375	0.9
241.11084	2.1
243.09018	6.6
245.10619	4.4
247.08545	0.7
249.07919	5.9
249.10072	0.6
251.05750	0.6
251.09485	11.8
253.11055	0.5
254.10696	0.7
255.09027	23.3
256.09229	0.5
257.10559	4.8
259.12146	1.6
261.10117	0.9
262.08713	0.5
263.09604	0.7
265.07190	0.6
267.09018	34.3
268.12256	0.6
269.10577	100.0
270.10916	1.3
273.10068	21.5
278.10629	2.2
279.00885	0.6
279.08896	1.5
280.09866	0.7
283.97211	1.3
285.10071	54.4
286.10178	0.7
287.11639	45.9
290.10693	2.7
292.12155	12.2
293.14261	0.6
296.11655	1.3
297.10193	0.7
299.11475	0.5
303.11160	6.0
307.15768	1.2
308.11646	4.8
309.96750	0.8
310.13309	2.9
310.96854	0.6
311.96469	1.9
313.14783	0.8
331.15768	8.0
349.16919	25.4
367.03186	1.2
367.17920	48.3
368.02887	3.4
372.18201	2.2
372.28732	0.7
385.18936	8.2
390.19571	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	390.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50592	3.0
56.05018	2.9
57.03424	4.7
61.02942	3.5
68.14302	2.7
69.03416	12.8
69.07037	3.9
70.06588	19.2
70.60722	3.6
70.61091	10.0
72.08158	10.7
73.08517	2.8
74.06067	4.8
75.01324	2.8
79.05483	10.5
81.03403	7.1
81.07059	3.6
84.04504	6.8
84.08128	14.8
85.02901	27.5
86.09708	16.5
87.04479	6.1
91.05470	12.0
93.07007	3.7
95.04945	6.9
95.06109	6.9
95.08549	3.4
97.02875	8.3
97.87429	3.4
100.99735	3.4
102.05542	3.7
103.05481	6.5
105.07024	49.7
107.04955	81.2
107.08641	3.3
109.06517	3.2
115.05453	11.5
116.07034	2.9
118.04178	4.0
119.01639	11.9
119.04915	11.1
121.06510	10.0
122.02672	7.1
127.03915	6.5
129.10213	7.4
133.06485	58.3
145.05040	6.5
147.04420	18.7
151.07513	5.1
153.05420	3.9
159.00209	15.3
161.05974	100.0
168.07704	4.0
193.08591	59.7
208.06374	6.4
211.09648	13.9
228.03491	13.7
264.43735	2.9
390.20529	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	390.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.2
53.03938	0.2
55.01865	0.3
55.05513	0.2
56.05031	0.3
56.96519	0.2
60.04504	0.2
67.05498	0.2
68.05025	0.3
69.03423	0.5
70.06590	1.6
70.19492	0.4
70.19884	0.3
72.08144	0.4
79.05492	0.8
80.14836	0.2
81.03412	0.2
81.07069	0.4
84.04520	0.4
84.08133	0.7
85.02892	0.4
86.06049	0.4
86.09705	0.6
88.04000	0.6
91.05468	0.3
93.07031	0.2
94.06559	0.2
95.04978	1.3
95.06097	0.3
95.08604	0.2
96.08153	0.3
97.02892	0.2
98.06052	0.5
105.07052	0.2
106.28350	0.2
107.04955	100.0
108.05270	1.8
110.07191	0.3
110.09678	0.3
114.05525	0.4
116.98570	0.2
119.04916	0.3
120.08090	0.9
125.76392	0.1
127.03898	0.4
129.10263	0.5
132.06563	0.4
132.89871	0.2
136.07553	0.2
138.09157	0.7
142.04991	0.2
145.02769	0.2
147.04401	0.3
158.65359	0.2
160.06110	0.5
177.05428	0.2
178.05453	0.4
178.07103	6.1
179.04848	0.2
199.03735	0.2
203.85809	0.2
213.09097	0.6
236.16284	0.3
236.31996	0.1
238.03212	0.2
246.47850	0.2
328.21170	0.7
345.14392	0.2
346.22531	0.8
372.23785	1.0
389.96576	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	0.5
64.03490	0.2
64.06078	0.2
66.99534	0.3
69.62063	1.3
69.62467	0.4
70.06593	0.7
72.08147	0.5
91.05425	0.3
95.04905	0.3
107.04945	8.9
108.05279	0.4
109.05134	0.3
110.03507	1.0
119.04903	0.7
128.04526	0.6
130.06519	0.3
135.03011	1.3
147.04408	1.6
152.05659	100.0
153.04073	5.2
153.05980	1.1
154.02386	0.3
190.57901	0.3
258.09842	12.0
259.10153	0.6
284.09915	1.4
318.12088	0.3
332.13385	0.3
360.00790	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01873	0.7
60.04514	0.7
61.02937	0.6
61.42463	0.6
62.49062	0.5
69.03416	1.6
69.69939	3.9
70.06586	3.0
72.08145	1.4
72.93775	0.6
79.05489	0.6
79.21175	0.8
81.03401	1.2
84.04486	1.4
84.08139	1.7
85.02890	3.4
86.09697	1.6
87.00829	0.6
90.94828	0.6
91.05477	1.6
95.04964	1.6
97.02885	2.4
98.81322	0.5
98.97577	0.8
103.05373	0.8
105.01866	0.8
107.04947	100.0
108.05287	1.9
109.02853	0.7
110.07195	1.0
114.76131	0.6
119.04955	2.9
127.03907	1.1
129.10202	0.7
133.06506	1.2
135.04410	0.7
136.07487	0.7
143.05652	1.1
145.04977	0.8
147.04411	9.3
149.05995	0.9
152.05695	4.1
162.96873	0.8
163.03906	0.7
172.34586	0.6
177.05484	1.0
178.07089	4.9
234.98984	2.3
252.97968	0.8
258.09787	1.0
284.11322	0.7
334.67880	0.6
346.91144	0.7
389.61996	0.7
390.21616	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01557	0.1
51.02365	0.2
52.70848	0.1
53.03934	0.4
55.01866	0.2
56.76117	0.1
56.96547	0.3
57.03419	0.1
65.64293	0.1
69.03424	0.3
70.06580	0.3
70.76804	0.3
72.08137	0.2
76.02205	0.3
77.03934	0.2
79.05479	0.9
81.03397	0.3
83.07816	0.1
84.04494	0.1
84.08128	0.3
84.08617	0.1
85.02888	0.4
86.09696	0.2
87.05594	0.1
88.07607	0.1
93.37781	0.1
95.04955	1.1
97.02897	0.2
103.05467	0.1
105.00096	0.2
105.04485	0.2
107.04946	100.0
107.69439	0.1
108.05271	0.9
110.07133	0.1
115.23042	0.1
116.98618	0.2
119.01870	0.1
121.06495	1.8
122.02722	3.6
123.04421	0.2
129.10225	0.3
138.09109	0.4
138.80766	0.1
143.05638	1.9
147.04373	0.2
152.05653	0.3
165.00751	0.1
188.72345	0.1
192.06755	0.1
216.97333	0.2
219.01720	0.1
228.06856	1.7
238.04221	0.1
245.11514	0.1
284.08002	0.2
312.24680	0.1
313.50662	0.1
390.12082	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.23
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.9
56.96560	1.9
62.33924	0.5
67.05501	1.6
69.07063	1.0
70.02297	1.5
70.02688	1.6
79.05518	1.3
81.07060	0.6
84.04530	0.6
93.07069	0.7
95.08628	0.7
95.78739	0.5
98.20897	1.0
105.07053	0.7
131.08580	0.7
183.33913	0.6
185.68581	0.7
208.51395	0.7
244.13902	0.6
247.08577	1.1
311.11090	0.6
333.19138	0.8
349.16611	0.9
367.17947	1.0
386.91852	0.6
389.22998	100.0
390.23376	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12842	0.6
55.05510	0.9
56.96568	4.3
67.05493	1.1
69.45406	5.8
70.06000	0.6
91.05495	0.8
95.08595	1.0
107.08610	0.9
124.34915	0.7
146.99632	0.9
153.74379	0.6
166.20732	0.6
167.72095	0.6
202.14455	0.6
203.05927	1.4
213.08154	1.0
217.07559	1.1
229.07642	0.9
231.09000	1.3
249.07823	0.6
251.09642	0.9
255.09061	2.2
267.09064	2.9
269.10632	4.5
273.10049	1.2
285.10132	5.4
287.11664	2.7
292.12247	0.9
303.11310	0.8
331.15945	0.8
349.16885	3.3
367.18024	6.3
385.19034	0.9
389.22980	100.0
390.23627	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	389.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09767	0.5
52.52314	0.5
70.85101	1.4
78.48525	0.5
104.34650	0.5
207.94357	0.5
315.19064	0.7
348.13483	0.6
349.12985	1.5
366.14499	1.7
389.22986	100.0
390.23367	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	389.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	1.5
71.59604	1.1
91.31609	0.7
92.20824	0.9
115.92120	0.8
131.50290	0.9
135.87505	0.8
188.92438	1.9
257.24533	0.9
332.96683	1.3
389.22964	100.0
390.23380	3.4
399.61356	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28104	0.8
53.55282	0.9
60.16426	1.0
70.77359	3.4
72.65372	0.9
136.77461	0.9
151.79697	1.0
202.04152	0.9
227.34639	1.0
243.18774	1.0
248.79156	0.9
378.00452	1.1
389.22980	100.0
390.23386	6.8
402.54877	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2169
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
53.03958	1.5
53.96648	1.3
55.01855	3.4
55.05499	4.0
56.05024	2.5
57.03426	4.6
60.04513	1.3
60.05637	2.6
61.02915	4.7
62.98190	1.5
65.03932	8.6
67.05492	3.7
68.27348	1.2
68.99783	10.6
69.03423	26.8
69.07050	2.5
70.03739	2.6
70.04066	3.5
70.06592	11.5
70.07394	1.1
71.04982	3.8
71.48617	1.1
71.59438	1.3
72.05341	1.5
72.08149	5.0
73.02908	2.6
77.56416	1.1
79.05471	4.3
80.04996	1.4
81.03404	11.3
81.07053	4.0
82.06564	1.4
83.04966	3.9
83.06119	1.9
83.08601	2.7
84.04495	7.2
84.08142	5.9
85.02896	36.8
85.06510	1.5
86.03233	4.7
86.06073	2.8
86.09698	11.6
87.04465	6.1
88.04812	1.6
90.97652	1.8
91.05477	4.7
93.03412	3.2
93.07036	4.2
94.04190	2.6
95.04970	3.9
95.06104	2.5
95.08616	4.3
96.04508	1.4
96.08163	1.2
97.02882	16.5
97.06509	3.1
98.03232	2.3
98.06058	3.5
98.97587	1.7
98.99993	4.3
99.04469	1.8
99.08082	2.0
100.00336	4.5
100.04774	1.2
100.99723	6.1
101.01582	2.5
103.01273	2.7
103.03974	1.6
103.05461	5.6
104.07138	1.7
105.06998	2.1
107.04950	20.4
107.08604	7.1
108.05296	1.9
109.02871	5.3
109.06500	2.8
109.10165	2.0
109.89729	1.2
110.07162	3.1
111.04426	4.1
111.08087	1.8
116.07066	2.9
119.04943	4.7
119.08624	1.4
120.08096	3.6
121.02866	9.6
121.06488	1.3
121.10142	4.0
123.04405	2.7
123.08038	1.7
124.07619	2.5
125.09632	16.9
127.03903	9.2
127.21499	1.3
128.04237	2.3
129.01021	8.7
129.06554	2.3
129.10236	4.1
130.01378	3.4
130.05000	4.5
131.00723	15.5
131.04889	6.9
131.08171	1.3
135.08070	2.0
135.11699	1.9
136.07552	2.7
137.02370	3.0
137.05981	1.9
145.00511	3.6
145.04985	6.7
146.00842	2.1
147.00201	4.7
147.04393	8.1
147.07657	3.0
149.09616	18.2
149.13251	2.5
150.09926	2.5
151.11189	3.7
152.07089	1.5
153.09123	4.7
155.00073	4.6
156.00404	1.4
157.00575	44.9
158.00835	33.6
158.02071	2.4
159.00208	75.9
163.03908	1.7
163.07565	2.9
163.14810	2.8
173.13138	1.7
175.01610	3.7
176.01912	4.4
177.01213	8.8
181.04836	1.6
191.14224	9.3
194.12636	2.0
209.15335	29.9
218.11369	1.4
221.99321	1.1
225.09024	1.6
226.03746	38.2
227.04091	52.6
227.16458	1.8
228.03458	100.0
233.14809	1.3
242.11673	1.8
253.11909	1.2
259.09628	2.9
279.17740	1.5
371.22604	3.2
389.13028	1.7
389.17838	2.7
389.23621	16.1
389.27957	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2169
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
55.01876	13.2
55.05514	30.3
56.05032	14.2
56.96554	10.5
59.15564	9.3
61.02927	9.3
67.05503	28.5
68.99792	8.7
69.03439	32.8
69.07056	27.0
69.65518	45.3
69.65924	19.1
70.06586	52.9
71.04994	32.7
72.08153	19.0
79.05488	35.5
81.03441	21.3
81.07059	39.1
83.08601	16.7
84.04502	15.4
84.08136	24.0
84.21866	8.0
85.02898	28.1
86.06078	12.1
86.09682	15.1
87.04475	36.9
88.04817	10.7
88.13340	8.7
91.05468	31.5
93.07043	33.8
95.04958	16.6
95.08603	21.1
97.06541	52.4
97.10168	15.0
98.21435	9.2
98.97572	11.4
99.04460	12.9
103.05470	15.6
105.07024	28.8
107.04934	68.8
107.08585	61.7
109.06507	14.2
109.10155	22.8
111.08118	9.5
116.98630	14.7
119.04954	9.3
119.08618	10.6
120.08110	12.7
121.02859	59.3
121.06493	24.9
121.10143	22.5
125.09618	26.2
127.03908	8.8
127.39244	7.7
131.08607	13.5
133.10143	15.9
133.27351	9.0
135.08037	20.3
136.07584	12.6
137.09627	8.9
151.03894	30.7
151.11197	10.3
163.03915	19.6
163.14795	18.0
173.02301	12.7
173.13145	15.1
178.06277	19.7
189.05463	12.2
189.84874	8.9
191.14330	38.7
196.07327	11.7
206.17712	7.7
209.15411	44.9
211.13197	9.7
215.07133	22.7
218.60365	9.9
227.16408	100.0
231.94083	8.5
240.09558	8.2
247.00771	7.9
259.09702	42.5
270.16843	8.3
353.13861	25.6
389.23615	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01606	1.1
53.03927	2.1
55.01863	3.4
55.05501	3.6
67.05499	4.3
69.39317	10.6
70.06584	4.2
79.05479	6.2
81.03411	4.9
81.07063	3.3
83.08643	1.5
84.04491	1.4
84.08146	2.8
86.09698	1.9
91.05479	19.8
93.07035	14.4
93.65595	1.2
94.06560	2.2
95.04958	6.3
95.08580	1.7
97.02888	2.7
97.10204	1.6
98.20756	2.5
98.98512	1.4
103.05457	9.8
105.07028	8.6
106.06519	2.0
107.04955	52.5
107.08609	1.8
109.10108	1.2
115.05453	3.9
117.07037	5.5
119.04939	4.7
119.08604	3.2
120.05756	1.4
120.08125	1.7
121.02856	3.1
121.06502	100.0
128.06239	1.4
129.06953	3.1
131.04919	18.3
131.08582	4.9
133.06487	55.4
133.10121	1.4
135.08064	5.8
141.07014	1.5
145.06499	9.8
145.10129	1.9
147.08046	12.8
154.15706	1.3
157.06508	3.8
159.08038	11.3
161.09648	1.3
163.07550	3.9
165.09108	2.0
169.06523	1.7
175.07533	9.2
177.07304	1.2
177.09161	3.5
179.08527	2.6
181.06538	1.5
184.07437	1.6
191.08549	2.6
194.07228	1.3
195.07893	1.4
199.07588	1.1
203.08469	1.6
207.08087	4.6
209.09628	4.1
212.83440	1.4
218.15408	4.5
219.07954	1.4
221.09616	1.9
223.07576	4.5
223.11259	1.9
224.08311	1.6
225.09093	12.8
227.10680	16.8
231.08119	1.4
236.08353	1.7
237.09097	6.2
238.09848	1.6
239.10735	4.8
241.12329	1.4
249.09131	1.5
251.10712	4.0
253.12219	11.7
263.10678	2.4
277.09308	1.3
277.12122	5.8
295.13300	22.1
316.12952	1.4
336.59427	1.5
343.13251	5.3
345.14883	6.4
371.16443	7.9
389.12967	1.9
389.17575	18.6
389.22635	1.9
389.28464	3.1
390.17108	2.0
411.55756	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54413	1.9
53.03945	2.5
55.01859	3.4
55.05301	1.8
55.05513	17.5
57.03429	3.6
58.99585	16.7
59.12629	2.1
60.05644	5.7
67.05505	13.9
69.03431	4.8
69.07057	10.5
70.06584	21.8
70.49841	3.4
70.50191	6.3
71.04987	2.8
72.08163	12.9
74.00677	4.1
76.02225	80.5
76.04004	5.3
79.05502	18.6
80.05034	4.1
81.03419	52.1
81.07042	16.8
83.04971	16.7
83.08611	23.8
84.04501	6.0
84.08138	12.4
85.02895	2.7
85.03983	2.5
86.06065	4.4
86.09706	78.5
86.99059	3.2
91.05487	19.2
92.01689	2.5
93.07052	11.0
95.04967	20.1
95.08599	5.3
97.02898	3.9
97.06501	3.3
97.10169	3.6
98.06037	2.5
99.05552	3.1
99.85529	2.1
105.07039	12.0
107.04964	7.3
107.08576	4.9
109.06520	4.3
110.07144	5.1
111.08079	9.9
115.05463	2.2
116.01664	22.9
119.08581	11.6
120.08109	10.1
129.06981	7.5
129.10237	6.0
130.05013	2.3
131.08540	7.1
133.06523	2.4
133.10109	5.9
138.03751	3.8
144.01134	14.9
147.11646	8.4
147.81529	2.4
149.09625	3.8
157.10170	9.4
162.02197	52.6
173.12949	2.9
173.39301	2.6
175.11215	8.6
177.03342	6.2
179.04851	85.5
193.12239	51.5
211.13283	100.0
212.13718	3.0
240.13426	4.8
242.67738	2.1
250.12679	4.9
268.13626	5.6
278.12119	2.5
286.14444	2.9
292.83926	2.2
371.16232	12.9
389.23834	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	389.174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.1
55.05506	5.5
56.05015	2.6
56.96579	2.1
57.03431	2.0
57.07072	2.1
58.99581	19.6
60.04535	2.5
62.06104	1.2
67.05503	7.5
67.35245	1.3
68.05030	1.6
69.07060	9.9
70.06588	25.6
71.04992	3.3
71.58224	2.1
72.08147	8.7
73.01134	2.4
74.00678	5.8
74.06068	1.3
76.02226	17.5
76.03998	3.4
79.05496	14.4
80.05029	1.4
81.03432	3.4
81.07059	9.6
83.04983	5.3
83.06076	1.4
84.04492	8.2
84.08137	16.7
85.02900	2.1
85.06577	2.1
85.53578	1.1
86.06076	1.9
86.09708	19.6
86.99049	13.5
87.05587	1.4
88.02216	4.0
91.05477	38.4
91.06015	2.6
92.97126	1.3
93.07045	11.3
95.04969	8.6
95.08606	3.6
97.02882	1.2
102.05544	1.7
103.05499	1.4
104.10793	1.5
105.07035	44.0
105.58575	1.3
107.04958	11.8
107.08582	5.4
109.06530	8.2
109.10133	2.2
110.07166	5.4
110.09684	1.8
111.08076	1.4
114.05611	1.4
115.08661	1.3
116.01675	49.2
117.07011	3.4
119.04902	1.3
119.08577	16.1
120.08115	7.6
120.08830	1.2
120.27343	1.3
121.06493	2.3
121.10149	1.8
123.04416	1.3
125.05981	5.0
129.07048	1.9
129.10257	5.4
130.05011	3.5
131.08556	10.6
133.06471	6.1
133.10129	100.0
134.10435	1.8
134.93822	1.2
135.04424	1.6
136.07600	3.0
137.04208	1.3
137.05974	4.6
143.08606	2.6
143.11584	1.4
144.01137	25.9
144.02196	2.0
145.06386	1.5
145.10162	2.8
146.05952	1.1
147.07936	1.4
147.11673	22.5
149.06052	1.4
149.09631	2.9
151.07529	2.9
151.11188	12.4
154.78699	1.3
155.07047	3.0
157.10146	2.5
162.02197	88.8
163.02663	1.4
165.05464	1.3
165.12788	1.8
171.11565	1.6
173.09641	4.3
175.11171	14.0
177.03253	3.0
177.07324	2.3
179.04839	19.8
179.06296	1.8
179.08981	1.4
184.07391	3.0
189.04372	1.7
191.10675	1.3
193.12247	37.3
205.06752	2.9
211.13245	8.1
223.07661	1.4
227.05850	2.8
245.06995	6.5
250.12627	5.3
251.11035	1.5
263.08035	3.5
268.13632	4.0
286.14532	2.6
294.11566	1.6
296.13272	7.4
314.16470	1.7
371.16296	4.2
371.22327	2.1
372.14673	3.5
389.11920	1.7
389.17374	5.0
389.24075	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1707
Annotation	GS-3
Peak:m/z	Relative Intensity
50.35131	0.2
56.96560	1.1
60.09935	0.2
65.03945	0.6
67.05498	0.2
68.35315	0.2
69.79413	1.3
73.03655	0.2
75.66556	0.2
79.05503	0.3
84.96040	0.5
89.03911	1.3
91.05487	0.5
92.04982	0.3
93.07029	0.6
94.06557	1.1
95.04997	0.2
95.07341	0.8
96.08118	1.5
98.97583	3.0
103.05491	0.2
107.04942	0.3
108.08112	0.9
110.09669	2.5
110.97521	0.3
112.99099	0.2
116.04977	7.1
116.10749	0.3
116.98612	2.2
120.04485	0.6
120.08074	1.7
122.06031	1.8
123.06791	0.2
124.07589	0.5
128.98595	0.7
131.00191	0.3
134.05998	0.9
134.99669	0.9
136.07582	1.8
138.09143	2.9
142.76154	0.2
143.00119	0.5
144.04443	16.0
145.05022	0.2
146.05965	0.4
146.99687	0.6
148.07550	0.8
149.01170	0.2
152.98622	0.5
154.08603	0.2
158.63197	0.2
158.99652	0.5
160.04010	0.4
161.01253	0.5
162.05502	6.5
162.99171	0.3
166.08629	4.4
166.09943	0.4
170.99628	0.7
172.03926	65.6
173.04286	1.3
174.05460	0.3
176.07004	0.5
177.00694	0.4
189.00705	0.4
189.04170	0.3
190.04994	0.6
192.06502	0.3
204.06549	100.0
205.06894	2.6
219.01714	0.9
236.09071	0.4
237.01187	0.2
237.02847	1.9
273.12256	0.4
279.11194	0.2
303.11148	1.5
321.12201	6.1
325.11737	0.4
329.14822	0.4
337.78223	0.2
339.13370	1.3
345.12146	0.3
357.14432	17.9
358.14743	1.0
363.13141	0.9
389.16672	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1206
Annotation	Artemetin
Peak:m/z	Relative Intensity
51.33308	1.0
53.03924	1.1
55.05513	1.7
56.05021	2.6
56.96552	1.1
67.05498	1.4
68.05003	0.9
69.03403	0.8
69.07060	1.8
70.06593	12.5
70.49228	0.9
71.16132	1.8
72.08126	3.9
74.06046	0.9
76.02189	1.2
77.41405	0.8
79.05464	1.4
81.03429	1.6
81.07031	1.9
83.04944	0.9
84.04487	2.4
84.08131	6.8
85.02895	1.3
86.09705	11.0
87.21711	0.8
88.85256	0.7
91.05495	4.1
93.07066	1.3
95.04989	1.7
97.02903	0.8
100.01305	0.9
104.10725	1.0
105.07045	2.5
106.21605	1.0
107.04957	4.8
107.08603	2.0
110.07172	3.0
111.08078	1.0
114.00084	0.9
115.05450	1.2
119.08562	1.3
120.08128	4.1
127.32156	0.9
129.10220	2.7
130.04982	1.0
131.08533	0.9
133.10127	2.6
136.07513	1.1
137.05862	1.2
145.06413	1.0
162.02176	4.5
169.06473	5.8
174.04115	0.9
184.07373	2.7
213.46208	0.8
224.11035	1.8
242.12071	1.1
252.02301	0.9
345.14792	1.1
359.00632	1.0
371.21954	0.9
389.12039	100.0
390.12326	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
55.05501	1.2
56.96557	0.5
61.02925	0.5
65.03934	4.0
67.05495	1.1
69.03424	1.8
69.07066	1.0
69.36241	2.2
69.36671	1.3
70.06587	1.2
71.01354	0.4
71.06885	0.4
72.08152	0.7
77.03899	0.4
77.08382	0.4
79.05485	1.2
79.43655	0.4
81.03408	1.7
81.07056	1.0
83.06070	0.4
84.04498	0.5
85.02904	1.3
86.09699	0.9
91.05473	1.0
94.06591	0.4
95.04981	2.0
95.06075	0.7
95.08628	0.5
97.02882	1.3
97.06522	2.9
98.20768	0.8
99.04440	0.5
103.05476	0.8
105.07036	0.4
107.04945	13.2
107.08635	0.4
108.05301	0.5
109.02882	0.6
110.06039	0.4
110.07152	1.7
111.04428	4.0
119.04904	0.6
119.08561	0.5
120.08107	0.6
120.26927	0.4
121.02859	100.0
122.03170	1.2
123.04415	0.7
129.10168	0.3
131.04904	0.7
133.02853	0.6
133.06512	0.4
137.05994	0.6
139.03931	1.2
146.97380	0.5
147.04408	0.7
149.05879	0.5
149.26723	0.4
151.03885	0.9
152.06969	0.5
157.06479	0.5
159.08064	0.5
160.07648	0.5
161.02382	0.6
163.03914	1.3
163.07477	0.7
164.07036	0.6
173.02330	0.8
176.98442	0.5
177.10225	0.5
187.07474	0.5
201.39201	0.5
203.07104	0.5
204.06734	0.5
211.04486	0.4
215.07057	2.0
224.35233	0.4
227.07065	1.1
234.99034	0.6
237.10274	0.7
245.08385	0.5
259.09637	3.6
265.09570	2.1
267.11292	0.9
283.06143	0.5
293.09171	2.7
311.09937	0.4
317.02356	0.4
321.08789	1.2
329.11359	0.6
339.09677	1.8
357.10767	0.8
371.11923	1.3
371.18771	1.2
388.70020	0.4
389.13263	2.4
406.66650	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2118
Annotation	Isostemofoline
Peak:m/z	Relative Intensity
53.03932	1.1
55.01871	0.5
55.05501	1.7
56.96551	1.2
57.07066	0.8
61.02923	0.9
67.04013	0.5
67.05498	2.0
69.07063	3.1
70.06590	0.6
70.07384	1.2
71.60002	0.8
72.08150	0.7
79.05498	2.6
80.05008	1.7
81.03422	1.5
81.07029	1.6
83.08611	0.6
85.02917	0.8
86.06055	0.7
87.05505	0.5
88.07632	1.5
89.66122	0.5
91.05477	5.4
92.05810	2.3
93.06143	1.0
94.06566	4.4
95.04967	3.2
95.08620	1.1
97.02878	0.5
97.06538	0.5
97.10193	0.8
105.07008	0.7
106.06576	2.7
106.07226	0.5
106.95768	0.6
107.04951	100.0
107.08601	0.9
108.05279	2.3
108.08121	2.7
113.96412	0.6
115.17605	0.5
117.07007	0.5
118.06470	0.6
119.08537	0.7
120.08056	0.5
124.07584	1.2
125.01546	0.6
128.95363	0.6
131.08592	0.6
133.10167	0.7
134.09631	0.5
152.07079	7.2
158.97639	1.7
160.97360	2.5
191.10651	0.5
200.07362	0.9
202.05328	0.6
206.58823	0.5
215.06294	0.7
218.15408	3.3
236.16449	17.9
237.16759	0.9
246.14931	0.6
264.15970	2.7
282.17004	43.0
283.17368	0.9
298.14603	0.7
300.06894	0.5
314.17944	0.9
326.17856	1.1
328.19208	2.9
346.20462	2.7
347.15582	1.1
365.16422	0.8
387.97583	0.7
388.15173	2.6
388.21213	7.2
388.28668	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04101	1.0
55.01855	1.4
55.05499	1.5
55.93515	1.7
56.96562	54.7
57.07062	5.0
61.02930	1.3
67.05498	3.1
69.07052	2.9
70.06595	1.6
70.95855	2.1
71.59682	1.4
71.95252	4.6
72.93766	4.4
74.97610	2.7
79.05481	4.5
81.03391	1.7
81.07049	4.0
81.94328	1.0
84.96008	2.0
90.94818	3.2
91.05470	5.4
93.07026	3.6
95.08591	2.1
98.41986	1.3
98.97581	2.3
105.07027	5.2
107.04940	1.9
107.08543	1.6
108.95933	1.3
110.31229	1.2
110.97585	2.1
116.00174	1.3
116.98606	3.0
117.07043	1.5
119.08566	2.7
121.06514	1.6
123.01201	2.3
128.98593	8.9
131.08554	1.3
134.99667	3.4
137.02707	2.4
141.02142	1.3
146.99649	15.4
147.49709	1.2
149.01230	2.7
153.00771	1.6
153.02165	1.5
155.03795	5.5
157.01801	1.6
159.03291	2.7
161.01225	1.8
165.00795	5.8
169.01685	2.1
169.05319	2.2
171.03287	11.2
172.11902	1.2
173.04861	2.7
175.02866	2.0
181.05269	2.1
183.03302	3.0
185.01208	1.9
185.04869	4.7
187.02831	2.3
189.04340	27.0
191.05905	3.0
192.99559	1.4
194.04961	1.8
195.06989	1.5
197.04854	2.4
199.02751	2.1
199.06415	5.6
201.04314	4.8
201.08026	2.8
203.05928	11.9
207.03085	1.2
207.05446	2.9
209.04858	1.5
211.06471	2.5
212.05882	1.7
213.07925	2.6
215.05855	3.3
217.07503	9.4
219.08896	1.6
221.02567	1.5
221.06891	1.8
223.06366	1.7
225.04337	2.8
227.05840	9.2
229.07365	2.4
231.09024	2.7
237.08072	3.5
239.05823	1.4
239.09499	3.2
241.07343	2.6
243.09048	4.3
245.06978	5.1
247.08530	2.8
249.04359	4.1
249.07976	2.0
250.04994	1.6
251.09613	2.4
255.08994	9.7
257.10663	1.6
260.07330	1.8
261.10150	3.4
265.07269	2.2
267.08939	3.7
268.06140	1.4
269.10645	4.1
273.09958	7.8
277.07172	1.8
278.08286	15.4
279.08667	4.7
283.08578	3.9
287.11804	2.5
296.09320	9.5
297.07709	1.9
301.09604	4.3
317.14536	1.5
319.15952	4.1
321.13846	1.9
321.17520	1.9
329.14191	29.7
337.16910	1.7
342.90216	1.3
345.11478	3.1
347.15561	100.0
348.15729	4.0
363.12378	2.6
365.16199	65.0
366.13882	1.9
370.16776	13.6
383.17407	8.1
388.17731	9.7
389.22931	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	388.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.1
56.96562	46.5
57.07071	1.7
65.17232	0.8
67.05489	2.7
69.03433	1.2
69.07070	5.8
70.73113	2.1
71.95251	3.0
72.93794	1.2
74.97610	1.8
79.05481	1.9
81.07024	1.3
84.96020	2.5
85.02906	1.3
91.05458	4.0
93.07056	1.5
95.04939	1.1
98.97567	1.8
103.69333	0.8
105.07034	2.1
107.04948	11.9
107.08601	0.9
110.97547	1.3
115.07619	1.0
116.98587	1.4
119.08571	1.9
121.06444	1.4
122.99905	0.8
125.01550	0.9
128.98586	5.6
133.01715	2.2
133.08611	0.9
134.99655	1.4
137.02847	1.2
139.00594	0.8
141.02203	1.4
141.67783	0.7
145.01697	1.1
146.99684	6.4
147.03279	3.1
155.03786	2.6
157.01659	1.0
158.97630	16.9
159.03305	1.4
159.97998	1.1
160.97342	15.3
161.01189	0.9
165.00732	2.6
165.04353	1.2
167.02379	1.1
167.03758	1.1
169.05327	1.3
171.03250	3.4
173.04852	3.1
175.02779	1.2
183.03270	1.4
185.04871	2.5
187.02811	1.4
189.04343	6.2
190.12492	1.1
191.03888	1.6
191.05942	2.2
192.93738	2.2
193.05367	1.3
194.93480	4.0
195.07031	1.4
197.04918	1.8
197.07129	2.0
199.06396	5.2
201.04337	1.1
201.07874	2.0
203.05887	6.8
209.04817	2.3
209.06766	1.0
211.06505	1.4
213.07910	1.4
215.05981	1.4
217.07463	6.4
219.06953	1.7
219.08966	1.6
221.04816	1.1
223.02795	1.8
223.06328	1.1
227.05885	2.5
229.07454	2.1
231.06967	1.3
231.09001	1.8
237.07950	2.5
243.08905	1.2
245.04703	1.0
245.06992	3.0
247.08415	1.5
251.09435	1.1
252.09439	0.9
255.09087	2.5
261.07727	1.2
263.09515	1.6
267.09100	1.0
269.10449	2.0
275.09702	1.4
281.10388	2.1
287.11823	1.6
289.11139	3.0
291.12601	2.8
293.10635	1.1
301.14691	1.3
305.14069	1.1
307.12137	2.1
319.15619	1.0
329.11322	1.0
329.14224	37.3
347.15335	100.0
348.15695	2.6
365.16394	40.5
366.17001	1.4
370.16861	13.1
383.17438	12.3
387.97632	4.9
388.18213	6.6
388.28278	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	388.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69495	0.6
53.03942	4.8
54.76973	0.6
55.01665	0.6
55.01872	8.7
57.03428	5.6
61.02922	6.6
68.99772	3.4
69.03423	36.1
69.86388	2.8
69.86800	1.4
70.06574	1.5
71.04996	4.0
73.02915	7.3
79.05486	1.0
81.03412	24.9
81.07030	1.0
85.02899	100.0
87.00822	41.9
87.04457	1.5
91.03932	2.1
95.04968	1.0
97.02885	28.9
99.04446	13.6
101.04279	0.7
103.03925	1.1
103.05476	0.9
105.01858	67.2
105.07021	10.5
107.04954	2.1
108.04520	3.7
108.05152	0.9
109.02871	30.8
115.03912	1.4
117.01825	3.7
123.02925	1.0
126.05509	1.5
127.03909	70.6
129.01833	3.3
131.04890	1.0
133.06476	1.1
145.04941	33.8
147.02907	2.4
159.02885	17.0
177.03893	0.9
189.03937	4.1
212.80345	0.7
213.03944	3.2
213.09151	1.2
231.04994	24.2
248.07750	2.1
249.06053	7.7
268.55789	0.8
388.15729	1.0
388.23425	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82079	0.8
55.05489	2.3
56.96557	44.5
67.05481	2.1
69.07043	3.5
69.45501	0.9
70.07379	1.4
71.29945	1.3
71.30283	2.2
71.95247	4.2
74.73069	0.9
74.97578	2.1
75.01060	1.0
79.05499	2.3
81.07053	2.6
91.05465	5.1
92.05801	2.0
93.07030	2.3
95.08600	1.7
98.97607	1.1
105.06999	2.6
107.04953	2.0
107.08588	1.4
110.97548	2.3
115.00670	1.2
117.07005	1.4
119.08557	1.2
123.01216	2.0
128.98590	3.8
129.15948	1.0
131.08574	1.8
134.99686	1.2
141.02206	2.0
144.08890	1.4
145.01657	1.4
145.10121	1.3
146.99637	5.5
147.03275	2.4
148.04556	1.0
149.01218	1.2
150.27788	1.0
155.03732	2.8
158.97633	1.3
159.03278	2.1
160.97365	1.2
161.01248	1.0
165.04385	1.4
167.03766	1.2
169.01706	1.5
169.06953	1.1
171.03233	2.9
175.02788	1.3
178.03754	1.1
181.05319	1.2
183.03191	1.5
185.04865	2.3
187.02754	1.6
189.04315	2.0
191.03899	1.5
191.05823	0.9
192.68556	1.2
197.01189	1.0
197.04785	1.6
199.06462	2.4
201.04265	2.4
202.01511	2.1
203.05902	4.2
207.06947	2.4
211.06435	1.7
215.05872	2.4
217.07468	2.5
221.04887	1.5
221.08528	1.6
225.07927	7.3
229.07486	1.6
235.06462	1.4
237.04231	1.1
237.07924	7.5
239.09494	1.5
243.09021	6.3
245.08353	1.2
249.07837	1.4
251.09509	3.0
253.11040	8.2
255.08978	5.8
256.09772	1.2
257.10504	1.7
263.09525	2.2
269.10559	2.0
271.12323	5.3
275.09464	2.9
281.10434	1.7
291.12625	2.3
293.10666	2.4
301.14859	1.7
303.16107	1.5
305.14182	1.0
319.15771	2.7
329.14148	22.4
347.15262	100.0
348.15729	2.7
352.23511	1.0
365.16315	91.6
366.16714	2.4
370.17084	7.4
370.24307	4.9
383.17297	3.6
388.18030	13.9
388.25351	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	388.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93497	3.4
56.94284	1.8
56.96558	8.1
57.07056	0.8
58.38084	0.8
67.05495	1.1
69.07008	1.1
69.77475	3.0
69.77892	1.6
70.95835	2.8
71.92974	1.1
72.93775	8.2
79.05466	1.8
81.03380	1.4
81.07003	1.7
88.96893	0.9
90.94828	4.3
91.05453	2.2
93.07015	1.2
94.25168	0.8
98.12408	0.7
98.20695	0.9
101.72417	0.7
105.06992	1.8
107.04922	0.8
107.08574	1.1
108.95813	1.7
110.97551	0.8
116.96352	1.5
120.02585	0.7
126.98415	0.9
128.96332	1.5
128.98531	1.1
129.06993	0.8
131.08551	1.0
138.98373	1.2
141.06924	1.1
142.97829	0.8
144.99419	1.0
146.97362	0.9
146.99570	1.6
148.98924	1.4
150.98425	1.0
154.97931	1.1
156.99449	1.0
164.99913	2.4
166.97852	2.2
168.99417	1.6
171.00946	1.0
171.03259	2.0
172.98997	1.3
178.97897	1.2
179.01483	0.8
180.99367	2.1
183.98198	1.0
184.98869	1.5
185.04825	0.9
187.00531	1.3
189.04456	3.7
189.05779	1.0
192.99321	1.9
195.01022	1.1
196.98961	0.9
197.02518	0.8
199.00412	1.4
201.01961	1.2
203.05936	0.9
207.00963	1.5
209.02629	1.1
213.03593	2.1
215.03473	1.7
215.05455	1.2
217.07275	0.9
219.00890	0.9
221.02504	1.0
227.03487	1.2
227.05573	1.4
233.02591	0.9
235.00406	1.1
235.04054	1.0
241.06795	1.0
243.08981	1.2
245.06857	1.6
249.01903	1.1
253.06779	1.5
255.08571	2.4
265.07108	0.8
267.20682	0.7
273.09592	0.9
277.06586	1.7
278.05597	0.9
278.08264	2.0
279.08447	6.2
281.09763	2.2
297.07556	4.8
301.09393	0.9
303.10144	1.8
305.11688	1.3
309.07663	2.3
319.09671	0.8
327.10150	2.2
329.14157	2.9
334.53836	0.8
345.11337	6.0
347.12445	32.4
348.13135	1.7
363.12411	3.1
365.13937	100.0
366.14279	8.4
370.16882	1.5
383.17346	1.7
388.15540	12.4
389.15707	1.1
389.22781	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	387.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.1
55.01871	10.4
55.05515	36.0
56.96563	3.7
57.03440	8.2
57.07076	9.0
65.03929	2.7
67.05505	51.2
69.03407	2.7
69.07072	18.9
71.05003	18.2
71.08628	28.8
71.59006	2.6
71.59425	3.4
72.81298	2.5
74.10010	2.6
79.05483	31.3
81.03424	7.1
81.07053	56.1
83.04979	12.1
83.08626	26.9
84.04493	2.6
84.08124	4.5
85.06551	6.8
86.09708	3.7
86.50514	3.0
91.05486	24.6
93.07037	37.3
95.04969	9.6
95.08620	28.4
97.06531	15.5
97.10161	31.0
99.08103	22.6
100.59229	2.8
105.07053	16.3
107.04977	11.5
107.08607	32.1
109.06535	6.0
109.10146	30.8
109.10729	2.9
111.08086	6.0
117.00480	2.7
117.07036	8.1
119.08586	18.8
121.10166	11.1
123.08114	2.7
123.11735	7.9
125.09617	24.0
127.11188	4.4
129.07011	3.6
129.10324	3.1
131.08566	7.1
133.10130	13.9
135.11700	20.1
137.13208	2.5
141.12752	60.5
143.08632	3.6
143.10666	3.4
145.10144	10.7
147.11642	7.5
149.13264	4.1
151.11209	5.9
153.09088	4.3
153.12759	8.6
155.08588	3.3
159.11719	5.6
161.13283	10.3
163.11235	12.3
165.12747	6.6
169.12257	18.9
179.14265	5.8
185.09763	3.1
189.11250	29.6
189.12772	5.4
195.11812	3.0
195.13852	4.2
207.13696	3.2
231.20995	4.5
241.19496	4.3
259.20639	10.5
277.21622	75.1
278.22165	3.0
295.22687	100.0
296.23151	4.2
333.58975	3.0
347.17090	3.8
361.13989	3.2
369.20804	3.3
369.26437	8.7
387.21384	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	387.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	7.7
55.05508	25.9
56.05024	8.9
57.07074	15.4
57.17957	2.3
58.99585	15.1
61.01151	6.1
64.73621	2.1
65.03982	2.7
67.05503	15.5
68.05012	3.6
68.23976	2.4
69.07064	27.2
70.06596	4.4
71.08621	11.0
73.47014	2.3
74.00668	6.5
76.02226	7.4
76.03976	4.8
76.08186	2.4
79.05481	5.2
81.07056	19.3
83.08625	18.6
84.04489	10.9
84.08122	4.9
85.01135	5.2
85.10210	4.3
86.99047	5.8
87.02703	24.5
88.02210	6.0
93.07045	5.9
95.08591	15.9
97.10166	9.6
98.09694	5.2
99.02672	15.0
101.04224	7.6
109.10144	5.4
112.03943	12.6
116.01660	23.6
116.05302	27.3
127.05987	2.6
130.05019	15.6
144.01160	5.8
162.02216	11.4
164.03749	3.2
224.23602	3.6
226.25266	33.8
238.25371	10.7
241.19890	6.8
250.25333	6.2
261.33713	2.9
267.21414	8.5
284.23923	47.9
284.26108	39.9
285.04361	2.4
370.24033	30.5
387.26755	100.0
388.27206	3.8
395.72745	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
55.01877	0.6
55.05520	1.7
56.96561	0.5
58.92668	0.3
67.05497	1.3
68.05035	0.7
69.03398	0.4
69.07056	0.8
70.06584	1.0
71.04999	0.3
71.59906	0.5
72.08151	31.8
79.05486	2.2
80.05011	7.0
81.03410	0.7
81.07058	2.1
83.08604	0.6
84.04507	0.4
85.02881	0.6
87.04474	0.5
91.05496	1.0
93.07034	0.8
93.72340	0.3
94.06552	0.8
95.04967	2.2
95.06107	0.3
95.08586	0.7
96.04424	0.3
97.10166	0.5
104.96457	0.3
105.07029	1.2
106.06561	0.3
107.04948	100.0
107.08594	1.0
108.05259	1.7
116.98553	0.4
118.98028	1.6
119.08597	0.4
120.08079	0.9
121.10175	0.4
122.09662	6.5
126.01816	0.3
130.97983	0.5
131.08569	0.4
132.99574	3.3
133.10124	0.5
134.09637	3.6
136.07518	0.3
136.11258	0.5
137.05994	0.9
142.97978	2.7
144.99529	1.4
145.06506	0.3
145.10144	0.4
148.99014	0.6
151.00624	0.8
154.03152	0.3
156.99600	1.0
159.01120	0.6
160.99048	1.0
163.00604	0.8
163.97708	0.4
167.07175	0.3
168.99554	0.5
171.01103	0.6
171.79324	0.3
172.99026	0.5
174.12798	0.9
175.00632	1.3
176.98521	2.3
179.00185	0.7
185.02725	0.6
187.00635	1.4
189.02275	0.3
191.00102	2.9
192.13812	5.7
192.15462	0.5
197.02791	0.7
201.02104	1.9
203.03813	0.4
205.01694	2.3
210.14882	12.6
211.15266	0.4
212.16438	0.4
215.03807	1.0
219.03244	0.8
237.09325	0.3
241.05240	0.5
243.06860	0.9
246.18539	4.5
253.05211	0.4
263.21152	0.7
264.19568	19.7
265.12201	0.3
265.19986	0.6
271.06345	2.3
274.81271	0.3
281.22220	33.8
282.22516	1.7
296.79446	0.3
312.89261	0.3
316.19101	4.1
347.13052	0.6
351.12653	0.8
365.14401	0.4
370.23856	2.2
387.15649	0.8
387.26416	36.9
388.26987	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28542	0.7
52.96252	0.7
53.03938	0.7
53.66098	0.6
55.05510	1.0
57.52825	0.7
58.21806	0.8
67.05489	1.5
69.03422	2.2
70.06590	3.7
71.07835	1.7
72.08148	1.4
79.05492	2.4
79.62813	0.6
81.03400	1.5
81.04530	1.9
81.07047	1.3
81.60943	0.7
84.08132	1.6
85.02897	4.1
86.09700	1.0
88.71674	0.6
90.09953	0.7
91.05517	1.8
93.07035	2.8
95.04973	1.8
95.06089	1.7
97.02869	2.0
97.06535	0.9
101.14425	0.7
105.07036	3.0
105.15656	0.8
107.04949	100.0
107.08602	4.3
108.05293	2.0
109.06483	1.2
109.10137	1.1
119.08576	2.0
120.08104	0.8
121.02866	1.5
121.06484	1.2
121.10139	2.3
123.08073	2.0
125.06013	1.1
125.07087	2.2
127.03896	0.8
130.06506	3.5
131.08501	1.0
132.04411	3.8
133.06435	1.8
136.07553	2.1
137.05975	3.0
143.08205	2.9
145.04927	1.2
145.06525	1.9
145.10136	1.5
146.06001	0.8
147.11649	1.1
151.07542	3.8
151.11188	3.6
157.07622	3.6
158.06006	4.8
163.07503	0.9
163.11177	9.4
172.03938	1.2
175.08675	10.6
178.71382	0.7
181.12187	1.7
182.08383	2.2
187.88808	0.8
189.12711	2.3
204.06602	1.9
207.13774	8.7
225.14009	4.6
238.08607	7.0
281.12720	4.2
355.22238	3.9
359.12329	2.2
387.15222	1.1
387.20193	1.7
387.25006	3.7
407.26917	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.201
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03935	3.0
55.01868	1.9
55.05502	2.8
56.05018	1.5
56.96569	1.3
57.03428	3.0
59.04984	0.9
60.03621	1.0
61.02917	11.3
64.83096	0.8
67.05486	2.5
69.03425	12.2
69.07059	4.8
69.55972	6.4
70.06586	5.7
71.04991	5.3
72.08149	7.3
73.02906	2.6
79.05486	4.5
81.03416	5.8
81.04514	1.1
81.07055	7.9
82.05326	0.9
82.06610	1.1
83.04978	2.6
83.06088	6.4
83.08633	0.9
84.04501	2.5
84.06437	1.2
84.08128	2.0
85.02898	31.8
86.06059	2.0
86.09700	4.7
87.04460	3.3
91.05478	4.0
93.04533	3.8
93.07061	4.6
95.04964	1.5
95.06069	5.1
95.08604	4.1
96.06422	1.6
97.02876	10.0
97.06529	2.1
98.97554	0.9
99.04460	2.7
103.05455	2.9
105.07032	8.4
107.04953	13.8
107.08583	5.0
109.02887	2.5
109.06497	5.7
109.10157	2.4
110.07154	37.0
111.06853	2.1
111.07492	9.7
112.08746	1.6
113.07152	0.9
115.07581	3.4
117.07041	1.0
119.04972	1.2
119.08553	7.5
120.08090	1.5
121.02859	3.8
121.06506	5.0
121.10143	4.6
123.08083	3.1
123.11710	1.9
124.30905	0.9
127.03920	7.1
128.06267	1.0
129.10197	1.7
131.04929	2.4
131.08527	1.7
133.06476	2.8
133.10144	2.1
135.08057	1.1
135.11711	1.4
137.05957	1.8
137.09598	7.4
138.05478	2.0
145.04958	5.6
145.10106	1.9
146.07253	1.1
147.08051	1.3
147.11673	10.9
149.09624	6.3
151.07550	3.1
151.11162	7.8
156.07678	3.3
157.08057	1.7
159.11690	1.4
161.05962	1.5
161.09612	3.0
161.13284	2.7
163.11179	1.2
165.12764	7.4
171.11633	2.0
172.97369	1.1
174.10411	2.2
177.05487	1.6
177.12811	1.8
179.00452	1.0
181.04970	1.2
189.12743	7.1
191.14407	1.1
199.66835	0.9
204.10240	1.0
207.13792	7.0
214.47356	0.9
225.14836	100.0
226.15202	2.2
237.02812	1.1
278.19519	1.1
305.20407	1.4
323.21533	6.4
341.22510	3.1
343.13666	4.3
369.22165	14.0
387.12100	5.9
387.23209	32.2
388.23340	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	387.2011
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.42047	0.8
53.03941	2.0
55.01858	1.8
55.05499	1.4
56.96541	1.0
57.03431	3.8
59.04969	1.0
61.02926	10.9
65.03954	0.9
67.05503	2.7
69.03426	12.5
69.07072	4.1
70.06575	4.0
70.54379	2.7
70.54736	1.1
71.04985	5.3
72.08163	4.7
73.02901	1.4
79.05498	2.6
79.91250	0.9
81.03407	6.1
81.07064	5.0
83.04979	2.1
83.06099	2.8
84.04499	1.2
84.08136	1.1
84.40241	0.8
85.02899	31.2
86.09715	3.3
87.04449	2.3
91.03967	1.8
91.05482	3.8
93.04532	1.6
93.07036	4.2
95.04970	1.3
95.06068	2.3
95.08588	4.2
96.06422	1.2
97.02901	8.2
97.06509	2.3
99.04437	1.7
103.05499	1.0
105.07024	7.0
107.04964	6.1
107.08586	4.8
109.02872	3.0
109.06516	5.7
109.10137	1.2
110.07161	19.1
111.06861	1.2
111.07504	6.2
112.08700	0.8
115.07573	4.2
117.06998	0.9
119.08582	5.7
121.02884	3.5
121.06496	5.9
121.10137	3.6
123.08064	4.9
123.11720	2.3
127.03907	6.3
129.08734	0.9
131.04941	1.8
131.08517	1.3
133.06491	1.7
133.10121	2.4
135.08075	2.0
135.11697	1.5
136.07698	0.9
137.09610	6.8
138.09087	1.0
145.04982	5.1
146.07237	1.0
147.08060	2.6
147.11662	10.4
149.09625	7.9
151.07542	1.8
151.11188	5.8
156.07732	1.6
159.11676	1.4
161.09628	2.7
161.13271	2.7
163.11224	1.3
165.12755	9.2
170.41833	0.8
171.11671	1.4
174.10379	2.0
176.69551	0.9
177.12718	2.6
189.12750	5.2
205.56100	1.0
207.13782	6.6
222.02068	0.9
225.14842	100.0
226.15213	2.3
237.02852	1.1
260.54895	1.0
267.13498	1.3
323.21533	3.8
341.22650	1.1
343.13617	1.6
369.21979	7.9
387.12415	2.2
387.18884	0.9
387.23264	16.2
388.23346	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03886	0.5
55.05496	0.8
56.05029	0.7
56.96564	0.7
57.11560	0.5
59.04985	0.6
61.02910	1.3
64.23034	0.5
66.80912	0.5
67.05494	0.9
69.03411	2.1
69.07036	0.6
70.06580	3.5
71.51276	0.7
71.51627	0.8
72.08122	0.8
79.05486	2.0
81.03423	1.5
81.04529	1.5
81.07052	1.6
83.04957	0.7
84.08119	1.5
85.02893	5.6
85.06548	0.8
86.09705	1.0
91.03973	0.7
91.05476	1.9
93.07055	2.6
95.04958	2.3
95.06085	0.9
95.08589	0.8
97.02882	1.6
97.06535	0.5
99.04469	0.7
103.05424	0.9
105.07015	2.5
107.04946	100.0
107.08604	2.6
108.05286	1.9
108.08086	0.6
109.06501	0.6
109.10226	0.6
110.07149	0.7
117.07045	0.7
119.08576	1.9
121.02878	0.9
121.06498	1.8
121.10136	1.3
123.08036	2.5
125.07119	1.3
127.03897	1.5
130.06508	3.7
131.04939	0.9
131.08514	0.6
132.04439	5.4
133.06480	2.2
135.08067	0.7
135.11659	0.8
136.07585	1.0
137.05974	2.1
139.07477	0.9
143.08234	0.7
145.04980	1.9
145.06496	1.6
145.10135	1.4
147.11664	0.7
149.09535	0.6
151.07544	4.5
151.11195	1.8
157.06459	0.6
157.07626	2.1
158.06006	3.7
161.13383	0.7
163.07541	0.7
163.11172	10.8
175.08665	9.8
181.12238	3.7
182.08359	1.3
189.12802	2.1
204.06595	1.3
207.13779	6.5
225.13979	3.7
238.06224	1.1
238.08583	9.4
264.10245	0.7
281.12744	5.2
320.53430	0.5
355.22290	1.5
359.12445	2.6
387.15710	0.6
387.20166	1.1
387.24637	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86551	5.2
52.89811	4.8
52.91270	5.4
53.03930	10.6
55.01856	11.3
55.05506	10.9
56.05028	6.6
56.96566	6.4
57.03429	6.8
61.02917	10.6
67.05486	19.8
69.03428	20.5
69.07085	13.9
70.06588	57.0
71.04980	19.0
71.58971	9.7
72.04531	8.3
72.08139	10.9
73.02930	6.6
74.00661	14.0
79.05479	15.0
81.03400	19.1
81.07045	20.9
83.04979	5.7
83.06110	7.9
84.04497	37.7
84.08134	19.7
85.02901	24.4
86.06073	9.6
86.09694	16.7
87.04474	38.5
88.02235	6.3
91.05476	18.1
93.07038	22.4
94.58033	5.1
95.04967	16.0
95.06112	7.5
95.08617	19.3
97.02853	9.4
97.06530	13.0
99.04452	45.5
104.07091	5.7
105.07028	25.8
107.04954	67.6
107.08585	22.6
108.73902	6.6
109.02878	13.9
109.06510	10.2
110.07154	18.8
111.07481	6.7
115.07565	19.4
116.07106	6.9
116.98560	8.5
117.07013	7.2
119.08588	17.6
121.02878	46.5
121.06494	56.2
121.10117	7.9
123.08075	9.7
127.03926	30.0
129.10274	6.0
130.04977	19.8
131.04958	6.7
131.06866	6.4
133.10104	10.5
135.11676	5.9
136.07623	8.3
137.05966	40.4
137.09622	26.0
138.09138	17.2
142.08641	12.4
143.08536	7.4
145.06413	6.8
147.08096	7.3
147.09158	22.8
147.11678	13.7
149.09599	19.7
151.11183	14.8
159.05844	7.1
161.09599	8.0
161.13309	10.1
163.11197	7.0
165.09019	8.5
167.07056	8.8
171.11736	7.0
172.03987	6.6
176.14301	14.6
177.00693	6.3
177.12744	6.3
177.14771	7.3
184.09711	6.8
189.12766	17.8
195.66484	5.9
204.10287	12.8
207.13734	26.8
225.14828	100.0
239.74156	6.2
249.12257	11.3
261.12637	27.1
267.13391	24.1
277.59286	6.3
281.14828	32.0
309.08658	6.0
359.12381	9.0
377.72351	6.1
387.15491	71.4
387.19235	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	387.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.3
53.03940	0.7
55.01868	0.5
55.05495	0.4
56.05031	0.4
56.96542	0.3
57.03451	0.2
65.03907	0.3
67.05494	0.9
69.03411	0.6
69.07057	0.2
70.06592	2.7
70.59195	0.2
71.04980	0.4
71.15828	0.2
72.08127	0.3
77.03893	0.2
79.05497	1.4
81.03402	0.7
81.07040	0.8
84.04483	0.3
84.08135	0.8
85.02905	0.5
86.09707	1.6
90.67492	0.2
91.05466	1.2
93.07027	0.5
93.60050	0.2
94.06577	0.5
95.04961	1.4
95.08595	0.4
97.02899	0.4
97.06492	0.4
98.97583	0.3
99.04448	0.5
105.07012	0.6
107.04946	100.0
108.05263	1.6
109.06480	0.3
109.10151	0.2
110.07146	0.4
112.00605	0.2
115.05423	0.3
115.91761	0.3
117.07011	0.3
118.06785	0.2
119.08586	0.3
120.08123	0.4
121.02823	0.5
121.06495	2.0
123.08096	0.3
127.03937	0.4
129.10255	0.2
130.05032	0.3
130.06522	3.9
131.04938	0.4
132.04439	4.4
132.08037	0.4
133.10164	0.5
136.07582	0.4
137.05956	2.6
137.09650	0.4
147.04459	0.3
147.08028	0.2
148.07491	0.3
150.09099	0.4
151.03922	0.3
157.06441	0.4
157.07597	2.3
158.06001	4.6
159.09149	0.6
161.05998	0.3
161.09587	0.3
165.09111	0.3
167.07059	0.6
167.08481	0.2
170.06046	0.2
173.07245	0.3
175.08675	11.3
177.05513	0.3
181.05017	0.5
184.07295	0.3
187.07468	0.3
189.09134	0.4
196.17029	0.5
197.09642	0.3
203.07211	0.7
210.06526	0.3
210.09145	0.3
215.06955	0.3
220.90230	0.2
238.08600	9.4
263.11661	0.4
264.10126	0.4
269.11804	0.5
275.16238	0.3
281.12830	5.2
282.13007	0.3
327.15903	0.3
351.15561	0.2
357.13321	0.3
387.17313	1.7
387.21643	0.4
388.23312	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
55.01864	0.3
55.05506	0.2
56.05013	0.2
57.03423	0.2
60.29068	0.1
60.85521	0.2
61.02917	0.5
64.20732	0.2
65.03925	0.2
67.05485	0.7
69.03430	1.3
69.07052	0.4
70.06593	1.1
71.04985	0.4
71.06921	0.2
71.60255	0.2
71.60621	0.2
72.08153	0.4
72.25751	0.1
73.02911	0.2
77.03922	0.2
78.59436	0.2
79.05492	1.1
81.03423	0.9
81.04536	2.0
81.07045	0.7
83.04968	0.2
84.04488	0.3
84.08131	0.3
85.02898	3.2
86.09700	0.5
91.03961	0.2
91.05457	0.5
93.07024	0.6
94.06555	0.3
95.04962	1.4
95.06071	1.3
95.08610	0.5
97.02871	1.2
99.04428	0.3
103.05409	0.3
105.04505	0.2
105.07040	0.5
107.04948	100.0
107.24252	0.2
108.05267	1.7
108.08128	0.2
109.02876	0.4
109.06501	0.2
110.07182	0.3
115.05496	0.2
119.08556	0.3
120.08120	0.3
121.02847	0.4
121.06504	0.6
121.10143	0.3
123.08066	2.3
125.07095	1.5
127.03879	0.9
130.06520	4.2
131.08553	0.2
132.04446	4.2
133.06456	0.2
133.10107	0.2
136.07570	0.5
137.05971	1.5
138.71812	0.2
143.08138	1.7
145.04970	0.9
145.10098	0.3
146.06003	0.2
147.08054	0.2
147.11690	0.3
150.09073	0.3
151.03874	0.2
151.07526	4.3
157.07602	3.2
158.06015	4.6
159.09224	0.2
161.06006	0.4
163.11177	2.6
167.07056	0.4
173.07103	0.3
175.08662	10.6
176.08989	0.3
181.04974	0.5
181.12242	1.4
187.08728	0.2
189.12682	0.8
191.06979	0.3
204.06668	0.3
207.13779	2.5
209.15425	0.2
210.09190	0.2
225.14850	0.4
238.08623	8.3
239.08925	0.2
259.75824	0.2
263.11816	0.6
264.10172	0.4
280.11978	0.2
281.12808	4.7
282.13120	0.3
299.10406	0.2
301.18851	0.2
314.90045	0.2
337.21078	0.2
355.22250	2.3
357.13382	0.2
359.12332	0.3
369.13245	0.3
387.15845	0.8
387.20160	1.4
387.24887	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.8
56.96566	28.7
57.03432	0.7
67.05490	0.6
69.07063	0.7
70.06609	1.2
71.35926	1.2
71.36261	0.7
71.95284	3.5
72.08183	0.7
72.96038	1.7
74.97600	0.9
76.13435	0.6
79.05489	1.2
81.07031	1.2
83.08628	0.8
84.08135	1.7
86.09686	1.0
91.05491	0.9
92.98640	0.7
93.07034	0.6
95.04945	0.7
95.08603	0.8
98.98481	0.6
101.90646	0.6
105.07042	0.7
107.04975	4.2
107.08579	0.9
110.07211	0.6
110.97588	0.7
121.55299	0.5
123.01182	1.0
128.98590	1.0
131.04922	0.9
133.06425	0.7
135.11678	0.6
137.02666	0.9
141.02200	0.8
145.06538	0.6
146.99617	1.1
148.15379	0.6
149.01132	0.7
155.03812	1.8
167.03818	0.9
169.05359	0.9
187.06459	1.0
197.08408	1.0
223.10005	3.5
235.10022	2.8
241.11110	26.5
242.11501	0.9
250.09734	0.9
253.11110	45.4
254.11555	1.1
259.12180	50.7
260.12521	1.4
264.12726	2.4
271.12170	100.0
272.12473	2.5
276.12704	2.5
281.18866	0.7
282.13770	2.4
289.13223	7.3
294.13779	11.6
297.13873	0.7
312.15009	0.8
327.11166	1.3
327.14786	16.7
387.13858	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27572	0.2
53.03931	0.4
53.06700	0.2
55.01860	0.4
55.05507	0.3
59.48168	0.2
60.04519	0.2
65.03928	0.6
69.07060	0.3
70.06583	1.8
71.58422	0.2
72.08149	0.7
78.04691	1.2
79.05477	0.5
81.03422	0.3
81.07069	0.4
84.04488	0.6
84.08152	1.2
86.09699	2.0
91.05467	2.4
93.07047	0.5
95.04951	1.4
105.04478	0.3
106.04177	0.3
107.04939	2.3
110.07159	0.5
111.04427	0.5
120.08102	0.3
121.02873	11.9
121.06496	100.0
122.06834	2.2
129.10248	0.5
130.06534	0.2
131.08569	0.2
135.08086	0.2
146.11719	0.3
185.37370	0.2
204.10226	0.6
215.14214	0.2
221.12955	0.3
249.12288	0.9
267.13382	2.0
274.72504	0.2
308.50882	0.2
369.15076	0.2
387.16257	0.3
387.22879	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.4
56.05042	0.7
65.03933	2.8
69.03402	0.6
69.28024	3.6
69.28351	0.8
70.04076	3.6
83.06097	1.9
84.04500	16.1
85.02893	1.1
91.05467	1.5
93.07022	3.0
93.53162	0.3
95.04964	0.7
97.02882	0.4
102.05516	0.5
103.05434	1.9
107.04942	1.2
111.04443	3.0
121.02866	78.4
121.03890	2.5
121.06495	100.0
122.03123	1.6
122.06818	1.6
129.06616	1.6
130.04997	10.5
130.05942	0.7
137.05911	1.9
138.09134	17.1
139.09471	0.5
149.09357	0.3
203.11729	1.7
204.07220	0.4
204.10201	15.2
221.12840	15.7
222.13103	0.5
226.03900	0.5
249.12337	16.0
250.10718	8.6
250.12779	0.5
251.11119	0.6
267.13388	29.1
268.13693	0.8
341.15286	0.4
369.14371	1.9
387.15308	2.6
404.28339	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
55.01854	1.0
55.05494	1.6
56.05023	0.7
57.03410	0.7
65.03940	0.8
67.05488	2.3
68.21237	0.5
69.03413	1.0
70.06585	6.8
70.66142	2.0
71.06969	0.8
72.04472	0.5
72.08137	1.4
78.04707	0.6
79.05456	1.8
81.03413	0.7
81.07039	2.2
84.04488	1.1
84.08128	2.0
85.02892	1.9
86.09691	2.4
91.05470	3.4
93.07020	1.3
95.04948	2.1
95.08553	0.7
97.06529	0.6
98.06037	0.6
105.04485	0.7
105.07006	1.5
107.04945	33.0
108.08146	0.6
109.10116	0.6
110.06018	0.6
110.07143	0.8
111.04437	0.8
116.07020	0.5
118.06715	0.7
120.08075	1.2
121.02859	12.8
121.06489	100.0
122.06002	1.7
122.06837	2.5
123.04366	0.7
129.10292	0.6
130.06508	2.6
130.23151	0.7
132.04485	1.3
136.07570	2.6
137.05969	3.4
143.08447	0.6
157.07626	0.8
158.05980	1.6
159.04485	0.6
159.09201	0.8
161.06013	0.7
167.07031	1.0
172.03954	1.0
175.08701	4.0
181.04898	1.4
187.07565	0.8
191.07112	1.0
196.16942	1.1
204.06561	1.5
204.10158	0.6
221.12894	0.7
238.08582	2.3
240.08888	0.7
249.12363	1.4
252.10217	1.2
253.09569	0.8
257.08978	0.6
263.11716	0.8
267.13394	2.4
271.10712	1.2
281.12817	2.2
287.94772	0.7
309.08731	0.8
327.09668	1.1
373.10037	1.3
384.56631	0.8
387.15158	2.0
387.23108	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20203	0.3
52.09232	0.4
55.05508	2.7
56.05030	1.9
57.03437	0.8
62.06109	0.4
67.05504	2.5
68.05019	1.3
69.07059	1.3
69.34019	1.4
69.34443	2.6
70.06595	4.7
72.08152	2.4
76.96175	0.4
79.05489	1.8
81.04534	0.9
81.07055	3.3
82.05322	1.5
83.05014	0.6
83.06106	13.2
83.08616	1.7
84.04494	1.7
84.08142	1.8
86.09710	3.7
86.80461	0.4
91.05481	1.7
93.04523	8.7
93.07047	2.2
95.04956	0.6
95.06093	12.8
95.08599	0.8
97.10184	2.2
97.10725	0.4
98.06074	0.9
105.07023	0.5
107.04936	1.6
107.06104	0.6
107.08613	2.2
109.07662	0.6
110.07164	100.0
111.05583	2.3
111.07487	0.8
112.08716	3.2
113.07121	1.2
116.07040	0.6
117.07029	0.4
119.48676	0.3
120.05586	0.9
120.08072	0.8
125.00047	0.5
125.09647	2.2
129.10234	1.1
130.04977	0.5
131.08560	0.6
139.05045	0.5
149.13229	0.5
156.07678	11.4
159.07623	0.5
184.07339	0.9
189.11241	2.1
196.34686	0.4
245.13850	6.3
246.14093	0.7
259.18085	0.6
277.19061	3.1
304.20175	2.0
322.21268	16.6
323.21606	0.7
324.22958	1.2
340.22333	6.0
342.23825	0.5
368.21796	32.0
369.22318	1.4
386.22839	59.4
387.23242	2.9
406.22601	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34679	0.4
51.99981	0.4
53.91608	0.3
55.05497	0.7
56.05030	1.7
57.41101	0.3
67.05504	1.8
68.05020	1.1
69.07063	1.1
69.57635	2.7
70.06596	1.7
72.08144	0.8
75.43324	0.3
79.05487	1.4
81.04541	1.0
81.07049	2.0
82.05328	0.9
83.06098	12.3
83.08611	0.7
84.08131	0.6
85.02902	0.4
86.09705	0.5
89.01313	0.3
91.05466	1.4
93.00911	0.3
93.04524	7.4
93.07052	2.0
95.05023	0.5
95.06084	13.0
95.08585	1.0
105.07011	0.6
107.04951	1.2
107.06071	0.7
107.08587	1.1
109.07647	0.5
110.07156	100.0
111.05573	1.8
111.07507	1.5
112.08707	3.6
113.07121	1.1
120.05561	0.9
120.08101	0.7
121.04005	0.5
121.07618	0.5
131.08591	0.6
133.10078	0.4
138.12846	0.3
139.05003	0.6
156.07680	13.7
177.05466	0.8
258.17432	0.4
259.18103	1.1
277.19061	3.1
278.19077	0.5
304.20172	1.6
307.20059	0.9
322.21216	16.1
323.22021	0.4
324.22723	0.8
340.22266	5.6
342.23886	0.5
368.21756	31.3
369.22073	2.5
386.22815	62.0
387.16211	1.1
387.23212	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	386.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20331	1.2
50.29414	1.2
53.03943	1.6
55.01879	8.9
55.05506	2.4
57.03436	16.3
59.05008	1.8
60.04536	2.2
61.02924	16.0
63.30181	1.3
69.03426	31.7
70.06593	11.1
71.01345	2.8
71.05058	4.3
72.08157	3.0
73.02915	70.0
81.03416	7.6
83.08591	2.0
84.04519	2.3
84.08134	3.4
85.02902	100.0
86.09697	3.8
87.04461	4.2
91.03950	4.2
91.05453	1.9
95.04950	2.1
95.40755	1.4
97.02890	52.5
98.97575	1.5
99.04461	5.8
101.02383	1.4
103.03938	3.7
105.07015	2.5
107.04951	11.9
109.02888	6.4
110.07159	6.2
115.03927	27.7
116.07057	2.5
116.98537	1.8
117.03342	2.3
120.08052	1.4
127.03917	35.8
133.04970	33.3
133.06508	4.0
136.07570	3.8
137.05948	1.9
145.02931	3.7
145.04956	55.6
149.06067	2.2
163.06013	24.2
163.07407	2.5
177.00760	2.2
177.05441	6.8
193.04897	2.1
194.05753	3.1
206.89619	1.6
217.07059	1.9
223.06056	4.6
224.09264	2.0
237.13373	5.8
241.07077	6.5
259.08105	10.5
295.10284	1.7
301.11768	3.2
343.13077	8.5
386.21875	4.0
387.11774	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	386.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	7.4
55.05511	2.2
56.05020	2.2
57.03432	14.2
59.04995	1.5
61.02924	14.9
69.03431	32.8
70.06592	18.0
70.99802	3.6
71.01353	3.9
71.04995	2.5
71.06931	1.8
72.08147	2.9
73.02916	63.7
81.03410	7.9
82.06541	1.9
84.04491	3.1
84.08134	6.0
85.02902	100.0
86.06072	2.2
86.09719	4.0
87.04446	3.7
88.03979	1.9
91.03941	4.0
91.05499	2.1
91.84418	1.5
95.04945	2.7
95.06125	1.7
97.02891	51.8
98.06084	2.2
99.04450	4.5
102.05542	2.5
103.03955	3.6
107.04952	15.5
109.02892	9.2
109.10163	1.7
110.07159	11.6
111.07484	2.5
115.03933	25.9
116.07070	6.6
116.98640	1.7
117.03405	1.6
119.04963	1.8
120.08118	2.9
121.06529	1.7
123.04456	2.3
124.63202	1.7
127.03916	36.0
129.10269	3.5
133.04970	28.5
133.06496	2.7
136.06183	4.2
136.07614	3.1
137.05992	1.9
145.04958	53.0
147.04384	2.7
149.05959	2.2
156.07625	1.8
162.04262	1.8
163.06012	21.7
170.40160	1.7
177.05458	5.6
194.05690	3.7
223.05995	4.2
224.09050	1.6
237.13254	3.6
240.08931	1.6
241.07057	5.0
259.08130	8.2
264.10779	2.4
301.11920	7.6
317.20779	1.7
343.12976	33.7
368.21420	1.9
386.17807	2.9
386.21930	9.4
387.11783	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	386.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
54.20146	0.2
55.01861	0.3
55.05510	0.4
56.05021	0.3
56.96542	0.3
67.05503	0.9
68.40086	0.2
69.03416	0.5
69.07053	0.5
70.06590	0.5
71.59518	0.4
72.08140	0.4
79.05503	1.4
81.03414	0.4
81.07047	1.3
83.08612	0.4
86.06097	0.3
86.09711	0.3
87.04465	0.9
91.05496	1.2
93.07046	1.0
95.04978	1.8
95.08607	0.8
97.06522	0.3
97.88354	0.2
98.06075	0.5
102.05526	0.3
105.04495	0.2
105.07013	0.9
107.04949	100.0
107.08584	0.6
108.05274	1.4
110.07138	0.3
116.98605	0.6
117.07001	0.5
118.06534	4.0
119.08601	1.4
120.08138	0.3
121.06537	0.3
121.10133	0.3
129.07001	0.3
129.98665	0.2
130.99950	0.3
131.08553	0.6
132.08118	1.6
132.99536	0.5
133.08839	0.7
134.09663	0.3
134.99657	0.3
137.06000	0.4
138.09105	0.3
140.98427	0.4
142.98032	0.3
143.00008	0.3
143.08533	0.4
144.99544	0.3
145.10114	0.7
146.09645	1.3
156.10162	0.3
160.11267	0.4
167.00017	0.3
168.11293	0.2
171.24634	0.3
176.14339	77.1
176.98541	0.4
177.00639	0.3
177.14731	1.7
183.11641	0.2
189.00601	0.5
190.00865	0.4
191.00098	0.4
200.03014	0.3
201.03990	0.3
203.02115	0.4
248.16359	0.4
264.64520	0.2
270.06903	0.5
271.06088	0.4
282.18436	0.6
294.20633	1.0
305.15186	0.3
345.11752	0.2
350.24503	0.3
368.25729	0.5
369.22549	0.5
386.17908	7.5
386.26993	2.6
408.57761	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	12.6
56.05030	6.7
57.03434	3.7
57.39257	1.6
60.04517	3.2
62.06088	20.7
67.05500	9.1
68.71200	1.5
69.03430	3.2
69.07072	6.3
69.39988	1.6
69.56023	13.9
70.02938	3.3
70.06590	57.0
71.06925	3.0
72.08154	16.2
74.06071	2.2
74.67182	1.6
79.05486	7.2
81.03437	3.0
81.07058	5.9
82.05374	1.9
82.06608	2.1
83.06109	12.8
83.08608	8.6
84.04482	9.3
84.08134	19.0
85.74736	1.9
86.09206	3.6
86.09700	34.2
88.03986	25.1
89.06020	4.0
91.05471	5.7
93.04527	9.9
93.07037	4.3
95.05025	2.0
95.06067	14.1
97.10165	15.9
98.06044	3.8
98.98453	3.9
102.05553	2.3
103.05463	1.9
105.07036	2.4
107.04951	57.6
107.08577	7.1
109.10173	2.7
110.07162	100.0
111.05601	2.4
112.08713	6.2
115.08698	2.6
116.07129	3.9
117.06969	3.7
118.99353	2.1
120.08100	9.5
121.02886	2.1
125.09633	19.9
129.10246	8.1
130.04979	1.7
131.04929	5.1
133.06458	6.6
135.08032	2.8
136.07573	2.2
145.06519	7.2
153.09109	7.8
156.07692	14.9
157.06499	6.8
159.08046	6.7
175.07553	4.8
183.14908	1.7
184.07404	5.1
189.11197	14.8
196.13298	4.7
209.52699	2.2
214.14316	3.1
221.83916	1.9
227.12758	23.7
245.13843	62.4
251.10753	2.0
277.19113	3.3
307.09247	11.7
322.21320	13.5
324.23001	1.8
325.10468	12.0
326.13699	2.2
340.22427	5.9
368.14682	5.5
368.21805	30.2
386.22849	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	386.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.7
55.05264	1.7
55.05510	21.2
56.05019	3.3
57.03440	5.3
58.06585	2.0
60.04504	1.9
62.06088	31.2
67.05505	8.9
68.05009	1.5
69.03422	3.8
69.07073	6.9
70.06593	33.8
71.05000	1.2
71.06905	1.5
71.12587	1.4
72.08151	7.6
73.02899	1.2
73.76662	1.0
79.05486	7.6
81.07065	6.8
82.05310	2.4
83.04988	1.4
83.06108	12.3
83.08620	15.9
84.04483	4.5
84.08140	12.1
86.09705	15.1
87.10030	1.3
88.03956	1.4
91.05476	3.4
93.04518	9.2
93.07066	5.1
95.04900	1.2
95.06097	9.9
97.10172	32.3
98.06046	1.4
98.98455	6.8
102.05521	1.4
104.10686	1.6
105.07006	1.4
107.04965	5.7
107.08585	9.7
109.10137	2.0
110.07165	96.8
111.05587	2.2
112.08714	4.8
113.07096	1.7
115.08683	1.6
116.07069	1.4
120.08089	5.8
124.01633	1.6
124.71507	1.1
125.08759	2.2
125.09630	31.1
129.10263	6.1
130.05032	1.9
135.08037	3.8
136.07593	3.2
142.02596	1.7
143.10657	1.9
153.09134	13.5
155.01070	3.3
155.08026	1.3
156.07718	11.3
166.08577	1.1
171.10144	1.8
189.11215	22.2
193.09772	2.2
196.13332	10.1
214.14371	3.7
216.06168	1.3
227.12782	44.6
245.13846	100.0
268.93958	1.1
277.19125	3.5
304.20126	2.7
307.09341	15.1
322.21155	14.5
323.19919	1.3
325.10434	20.7
340.22372	5.3
350.13504	3.0
368.14938	5.3
368.21811	27.0
386.15665	2.2
386.22830	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	386.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.5
56.05025	5.8
57.03415	2.9
59.91361	2.7
60.04522	4.2
60.05663	2.6
61.02912	3.7
69.03434	9.3
70.06593	100.0
71.04991	6.3
71.06937	7.7
71.30260	2.5
71.49626	4.2
72.08148	15.4
73.06554	8.6
74.06084	3.0
79.99001	2.6
84.04488	16.7
84.08140	27.5
85.02892	14.7
86.03574	6.2
86.06041	4.0
86.09705	22.7
91.05505	8.1
95.06102	3.2
97.02917	6.5
98.06056	4.4
99.04443	4.2
102.05536	7.8
105.07056	5.5
107.04953	50.4
110.07169	13.6
114.05608	2.7
116.07171	2.9
117.05498	8.7
117.07010	4.0
119.04964	12.1
123.04443	10.4
125.00002	4.1
126.05474	5.3
129.10254	9.9
133.06490	5.7
135.04420	22.0
136.07573	3.2
145.05008	2.9
145.06470	13.2
146.06029	4.6
147.04414	9.2
148.07591	5.0
149.08356	44.8
150.09120	3.4
156.07750	8.5
160.07617	11.4
161.05984	8.5
162.09152	14.0
163.03909	2.8
165.05507	8.4
175.11928	7.0
179.78900	3.6
180.06535	3.0
181.04999	6.4
181.09630	5.9
183.15062	3.1
184.07347	26.7
188.07098	8.9
206.08080	29.0
207.06387	3.7
209.09164	6.3
224.09178	23.4
244.65752	2.6
251.54463	2.9
275.66553	2.7
324.14401	4.0
368.13437	8.8
386.14587	16.4
386.25824	14.9
393.58023	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.7
53.03957	0.7
57.07070	38.5
59.04980	1.2
63.77785	0.8
69.07060	35.4
70.04064	1.9
70.06583	1.4
76.05210	0.6
81.03426	0.8
87.00014	2.1
88.07581	0.8
89.06006	2.4
91.05472	4.0
97.06513	1.2
98.99960	0.7
100.03083	0.7
103.05434	2.2
109.02858	1.8
110.03477	0.8
111.00003	1.7
111.04404	1.6
117.07005	0.8
119.08569	13.3
120.05679	1.2
123.04296	0.7
126.99454	1.6
127.05461	0.9
128.05249	1.1
128.06203	21.3
129.01028	4.8
131.04895	1.1
134.03609	0.7
135.04405	3.0
139.00554	5.1
142.07774	1.2
145.06464	9.1
146.07210	1.4
147.08028	84.1
148.08394	1.0
149.01414	1.8
155.04878	3.2
155.06030	4.5
156.05675	5.8
161.09590	3.1
162.10387	46.7
163.01732	1.2
163.03087	23.2
163.10712	0.9
168.05669	2.5
170.07219	3.0
172.08856	0.8
174.06744	0.8
175.03075	1.5
175.07516	13.7
181.07793	0.9
183.04424	0.9
184.05168	2.9
185.05884	0.7
186.06662	1.4
189.09097	2.4
190.09869	43.6
191.02551	9.2
191.10182	1.2
195.05713	1.9
197.05963	2.0
198.06664	1.6
205.04077	1.4
219.02049	100.0
220.02522	3.2
221.03638	8.2
231.02090	4.3
233.03606	20.6
239.26602	0.8
247.05157	8.9
254.12962	5.1
261.03152	2.5
289.09857	30.7
290.10229	0.7
299.08310	3.6
317.09348	22.4
346.29211	1.2
386.08252	5.9
386.12613	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	385.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.9
55.01862	10.5
55.05264	3.9
55.05510	37.7
56.96555	5.1
57.03439	27.0
65.03940	3.3
67.05172	5.3
67.05504	69.2
69.03429	8.1
69.07068	54.9
70.06546	8.9
70.06921	12.3
71.04993	6.9
71.08614	2.6
72.08142	7.0
79.05495	51.9
81.03437	4.7
81.07056	100.0
81.07525	6.5
82.07408	4.5
83.04977	7.5
83.08608	24.3
84.04485	3.0
84.08136	6.8
85.02897	4.4
85.06551	5.3
86.09691	5.0
91.05478	38.8
93.07047	46.4
95.04963	17.6
95.08604	37.7
97.06512	13.7
97.10168	16.6
99.08081	3.8
105.07023	23.2
107.04950	26.4
107.08592	36.0
109.06499	9.4
109.10154	24.7
111.08079	7.8
113.05991	6.4
115.05452	4.7
117.07014	11.1
119.08561	17.4
121.06490	9.4
121.10152	16.9
123.08081	4.0
123.11711	6.3
124.45543	2.8
125.09629	22.1
128.06152	3.6
129.07010	5.9
131.08556	11.3
133.10110	17.4
135.08061	5.0
135.11697	12.3
143.08546	4.5
143.10815	3.2
145.06471	3.2
145.10135	9.7
147.11674	9.7
149.09605	11.3
149.13239	12.2
157.10165	6.5
159.11740	13.4
163.11214	4.4
171.11732	4.5
173.11755	7.9
177.12790	5.5
189.11220	18.4
195.13771	5.0
197.13216	3.0
211.13251	2.9
219.08072	2.8
227.12770	3.1
229.14354	7.0
245.13924	4.2
254.64969	2.9
257.19064	3.6
269.17450	10.4
270.48080	2.8
274.40817	3.2
275.20059	26.3
293.20963	4.8
349.23422	6.6
367.24628	6.4
385.14478	5.3
385.25433	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	386.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
55.01868	3.8
55.05501	1.4
57.03436	3.5
61.02919	3.8
61.42686	1.1
65.03922	2.3
67.05495	4.2
68.99783	3.9
69.03426	21.0
69.07068	12.0
70.01727	6.1
70.06586	5.4
71.04985	2.7
72.08159	1.5
73.02915	2.5
73.06569	1.2
76.02220	1.3
79.05483	7.2
81.03414	14.7
81.07055	4.3
84.04504	2.7
84.08140	2.0
85.02904	47.3
85.03428	2.3
86.09682	2.6
87.00826	11.7
87.04465	3.3
91.03944	1.6
91.05472	5.8
92.04999	5.6
93.07040	2.7
94.06551	1.7
95.04971	2.8
95.06092	2.3
95.08589	3.6
97.02891	13.2
97.06524	2.9
98.97619	1.4
99.04435	6.9
103.03940	2.6
104.05000	1.9
105.01871	10.4
105.07002	2.9
106.06541	2.6
107.04955	16.8
107.08609	3.3
108.05295	3.0
109.02878	13.7
109.06484	1.2
109.10182	1.4
110.07187	2.8
113.02418	1.4
115.03913	2.1
115.07542	1.4
116.04981	1.1
117.01825	1.4
119.08555	2.6
120.04462	100.0
121.06489	2.1
122.02682	2.5
127.03912	25.4
129.01843	3.5
130.06534	2.6
131.04906	1.4
132.04456	18.0
132.08109	1.9
133.06447	1.5
133.10124	2.1
134.06000	19.4
136.07626	1.4
137.05997	1.2
138.04425	2.3
138.05498	45.1
138.09189	1.5
143.07033	8.7
144.04449	3.4
145.04965	6.1
146.02345	5.3
147.02834	1.6
148.03957	1.3
150.05498	4.5
154.06512	1.4
158.06006	4.0
159.02872	3.2
161.08102	4.4
162.05510	14.5
172.07600	3.2
174.05499	1.7
179.40900	1.2
180.06578	10.3
182.05998	7.7
184.07449	2.0
186.05507	5.9
189.03996	1.9
198.05531	2.9
200.07047	5.6
201.30782	1.2
204.06511	1.5
205.89417	1.0
210.05513	28.0
218.07976	1.3
220.13353	3.4
227.12715	1.0
228.06552	22.4
228.10487	2.4
231.05025	3.4
246.07622	7.6
247.17038	1.2
262.18002	2.0
263.18445	3.6
264.08630	1.9
264.13889	1.3
265.01782	1.6
332.07773	4.9
350.08682	8.0
350.17435	1.3
368.18494	1.8
369.22586	6.0
386.22928	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27773	2.1
53.03938	3.1
55.01873	10.7
55.05513	50.4
56.94310	4.6
56.96555	3.7
57.03186	2.5
57.03436	18.0
61.86872	2.5
65.03951	2.4
67.05504	46.6
69.03426	9.3
69.07058	16.6
69.86646	13.7
70.06585	3.7
70.95861	6.7
71.04990	7.8
71.08632	14.5
72.08158	3.7
72.93781	20.4
79.05489	37.2
81.03420	47.5
81.07063	48.5
82.07450	2.3
83.04981	18.1
83.08618	39.4
84.08174	3.5
85.02912	24.9
85.06529	3.8
86.06007	2.5
88.96930	3.1
90.94820	12.9
91.05479	41.2
93.07040	29.7
95.04967	36.8
95.08608	20.0
97.02893	2.8
97.06538	9.2
97.10168	18.7
98.21461	3.0
99.08093	16.3
103.05467	4.0
105.07032	28.5
107.04957	26.5
107.08584	20.8
108.95879	8.0
109.06523	7.7
109.10168	10.7
111.04466	7.5
111.08062	14.6
113.06033	5.1
115.05454	5.7
117.07033	9.2
119.04948	8.5
119.08568	18.7
120.08906	2.8
121.02816	2.9
121.06535	9.1
121.10139	12.8
123.08092	5.2
125.09624	15.6
129.06998	7.9
131.04955	5.9
131.08588	11.0
133.06512	6.6
133.10141	9.4
134.97379	3.6
135.08109	5.5
135.11696	4.3
139.11240	4.1
141.61061	2.6
144.99484	3.4
145.06497	8.2
145.10185	4.6
146.97400	3.0
147.04419	4.0
147.08031	2.7
147.11658	17.0
148.99010	4.7
149.01158	6.1
149.02341	100.0
149.09669	5.7
149.43893	2.8
153.12717	3.9
154.97916	2.7
157.10162	10.3
159.11708	4.2
161.05962	4.0
161.09648	3.1
162.96925	3.9
163.11147	13.0
165.00024	2.9
165.07054	3.8
165.12769	2.9
166.97954	3.1
172.98946	3.6
173.05971	4.3
173.09636	3.2
173.11919	2.3
175.03857	2.6
175.09802	2.4
175.11159	13.8
179.08537	2.9
181.12230	4.7
184.82208	2.4
186.01318	3.9
189.11159	16.3
192.99496	3.0
193.04965	82.5
193.12260	44.3
194.05273	3.9
195.13820	3.4
207.08047	3.0
211.07756	3.3
211.13280	35.0
217.03264	3.1
221.15111	2.3
223.13379	3.4
229.05307	11.1
238.09929	4.4
241.05254	2.9
245.09708	3.4
247.78957	2.4
255.06784	6.4
267.06775	44.7
267.15967	3.8
273.09198	5.2
275.20102	17.6
285.07819	40.1
285.10577	2.6
285.16913	5.8
286.08057	3.0
291.10120	4.3
293.21121	51.2
297.03934	5.2
308.09476	9.2
334.33246	2.9
341.06488	9.9
349.14737	10.2
352.10532	2.3
359.07770	10.8
367.15656	9.9
385.09244	82.1
385.14365	8.1
385.25699	29.4
386.09695	8.2
387.72086	2.3
408.52249	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	385.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70803	0.5
53.03915	0.6
53.69539	0.6
56.05045	0.6
56.21409	0.6
56.96547	0.9
60.04496	0.7
60.05648	8.1
64.25561	0.5
69.03421	1.4
69.07058	1.7
70.06589	100.0
71.04997	0.7
71.06909	0.6
71.59258	1.0
72.08162	3.0
73.97375	0.6
74.06056	0.9
84.04549	0.6
84.08130	1.7
85.02917	1.9
85.96080	0.6
85.99117	0.5
86.09707	16.8
89.03928	1.0
91.05446	1.1
95.06106	0.8
97.02898	1.4
97.07653	0.8
98.06062	0.8
107.04948	6.1
110.07157	2.3
112.08733	3.4
114.05553	0.8
114.10311	1.8
115.08715	2.6
116.07086	8.3
116.07841	0.9
116.98618	1.4
117.03378	1.6
120.08123	0.6
123.04478	1.1
130.09816	3.8
130.10672	1.0
133.02866	0.9
133.06488	1.2
134.02696	1.2
135.04430	1.2
135.06654	0.6
136.06169	1.1
137.05989	2.2
138.05513	0.9
140.08177	0.9
145.02826	2.3
146.03644	0.7
146.99658	0.9
147.03345	0.7
147.04440	1.8
151.03882	2.2
156.11298	3.7
157.10835	0.8
158.09250	5.3
161.01236	0.7
163.03915	2.1
173.09084	0.7
175.11899	27.5
177.05463	3.8
180.06581	1.3
183.14917	12.7
188.07130	0.8
193.04962	0.9
193.13310	0.9
194.05753	1.6
196.64764	0.6
198.07599	0.7
208.14461	1.0
211.14450	2.0
224.09091	0.6
228.17041	0.7
234.98967	0.8
237.02853	1.4
253.16664	0.7
256.99585	0.7
271.17670	2.3
288.20303	1.4
298.18732	2.0
325.06012	1.7
343.06979	1.3
367.24387	2.7
368.23016	3.9
385.02136	1.4
385.25543	80.1
386.25757	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	385.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.2
55.01863	7.3
55.05268	2.3
55.05515	33.5
56.96571	2.0
57.03443	24.2
57.07075	4.1
59.04997	3.3
65.03942	2.7
67.05505	62.4
69.03404	4.4
69.07071	66.7
70.06577	3.0
71.04993	16.0
71.08624	4.4
71.59032	2.1
72.08146	3.6
72.93775	3.9
73.16151	1.9
79.05065	3.6
79.05499	50.1
80.05836	1.7
81.03403	3.6
81.07059	100.0
82.96633	1.7
83.04977	15.7
83.08604	24.0
85.02898	11.5
85.06528	8.1
86.09695	2.5
88.75662	1.6
90.94787	2.5
91.04977	2.6
91.05489	40.8
93.07043	61.8
95.04967	24.9
95.08612	40.9
97.02908	2.2
97.06525	33.1
97.10155	6.4
99.04494	2.0
99.08102	6.3
105.07027	26.8
107.04962	8.6
107.08596	40.8
109.05858	2.0
109.06474	9.5
109.10155	22.5
110.07173	2.6
111.08081	14.4
111.11726	4.8
115.05460	2.5
117.07022	9.6
119.08580	22.8
121.06538	3.2
121.10126	13.9
123.08115	2.3
123.11700	7.0
125.09632	6.6
129.06995	4.3
131.08582	9.8
133.06540	2.6
133.10138	26.8
135.08032	5.5
135.11688	58.1
137.09604	6.8
142.07767	3.4
143.08566	2.0
145.10143	9.4
147.11676	11.7
149.02365	2.1
149.09616	6.7
149.13258	8.9
150.28700	1.8
151.11169	12.6
153.12752	30.1
157.10124	6.0
159.11705	7.5
162.15576	1.9
163.11200	4.1
165.12737	6.2
167.14331	3.1
169.12279	2.0
175.11223	7.2
177.12747	8.6
181.12227	3.5
190.99986	2.8
193.12267	10.1
195.13812	17.6
199.13145	2.7
211.13269	9.8
213.14893	7.8
217.14357	42.0
219.22719	2.0
224.69902	1.8
225.28740	1.9
229.05199	2.7
241.05290	2.4
247.20454	2.3
255.16071	3.0
257.08435	2.6
257.19061	2.4
265.21591	3.8
267.06805	10.8
267.09201	2.3
267.15866	3.8
269.17453	4.9
275.20081	14.2
285.07834	7.8
285.16956	11.6
287.18610	11.5
293.21176	7.7
315.13184	3.0
335.93347	2.0
367.15836	2.8
367.24808	2.1
383.96445	2.1
385.25836	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	385.237
Annotation	5-beta-14-Dihydroxy-bufa-3,20,22-trienolide
Peak:m/z	Relative Intensity
53.03940	1.3
55.01859	2.7
55.05264	1.2
55.05512	16.5
56.36573	1.1
56.96540	2.1
57.03424	2.4
63.56729	1.0
64.03986	1.0
65.03931	2.3
67.05499	17.0
69.03413	2.2
69.07056	5.0
69.58779	3.9
69.59187	4.3
70.06578	5.3
71.04979	2.9
72.08129	1.7
79.05488	21.5
81.03410	4.2
81.07060	16.0
83.04954	3.8
83.08607	7.3
84.08141	1.6
85.02876	1.7
86.09708	2.1
91.05474	16.3
93.07037	11.2
95.04971	6.7
95.06101	1.4
95.08612	10.9
97.06543	3.3
97.10181	5.4
103.05512	1.5
105.07012	11.5
107.04940	20.9
107.08598	7.6
109.02894	1.4
109.06510	3.0
109.10154	4.8
111.08070	1.7
115.05451	2.5
117.07004	3.1
119.04967	1.5
119.08574	4.4
120.08115	1.6
121.02885	1.3
121.06493	6.3
121.10124	4.0
123.08082	1.7
125.09624	3.7
128.06233	2.9
129.07021	11.1
131.04930	7.2
131.08588	6.9
133.06485	5.1
133.10083	2.8
134.09631	1.4
135.08081	2.6
137.06055	1.3
141.06981	5.4
141.18324	1.2
142.07744	1.4
143.08563	7.8
144.05687	2.9
145.06479	33.3
145.07626	1.8
145.10147	2.5
147.04437	1.6
147.08057	5.7
147.11694	1.8
149.09598	2.4
153.06996	1.6
153.09123	1.2
154.07736	1.5
155.08501	6.6
157.06465	11.2
157.10120	4.0
158.97537	1.9
159.08043	9.3
161.05974	4.2
161.09639	1.7
163.11192	1.2
165.07028	2.0
167.08595	3.5
168.09447	1.1
169.06459	5.7
169.10135	2.9
171.08034	11.7
173.05978	2.7
173.09630	2.2
175.07457	1.5
177.12788	1.6
179.08507	1.7
181.06418	3.6
181.10063	2.7
183.08052	6.2
183.11681	2.8
184.08844	2.4
185.09682	6.3
193.10188	1.7
193.12245	3.3
195.08054	6.5
195.11720	6.6
197.09624	4.2
197.13303	4.0
199.07436	1.5
199.11180	3.2
207.08127	1.6
207.11510	1.3
209.09605	3.5
209.13297	2.4
211.11188	6.8
213.09456	1.3
213.12788	1.8
215.14253	1.4
219.11720	2.0
222.10332	1.9
223.11267	3.7
225.12779	5.1
227.14336	8.2
235.11139	2.3
235.14755	1.6
236.11234	1.3
237.12740	9.4
239.14432	2.4
253.15611	1.6
254.12083	4.7
255.13795	22.5
255.16255	2.0
257.15356	2.3
262.17932	7.5
262.54285	1.6
273.14786	18.6
281.15347	4.0
287.16318	2.4
299.16364	2.3
321.22040	1.5
331.20547	4.5
339.23328	6.6
340.12015	3.2
349.21567	33.6
357.24295	1.7
367.22653	100.0
368.22510	17.8
385.23755	55.6
386.23840	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	385.2369
Annotation	Mutisicoumaranone D
Peak:m/z	Relative Intensity
55.01853	5.7
55.05502	11.5
57.07072	14.5
59.04992	4.1
61.02924	4.7
63.65711	2.8
65.03922	3.4
67.05506	17.0
69.03436	6.6
69.07068	7.9
70.65472	9.9
71.04987	5.7
79.05486	15.0
81.07053	21.6
83.04988	4.4
83.08613	11.7
85.02886	3.8
85.06537	5.0
91.05470	49.8
92.05806	6.3
93.07037	36.4
95.04949	17.5
95.08598	22.5
97.06527	15.9
99.04479	4.1
101.69101	3.1
105.07022	37.8
107.04964	5.6
107.08578	41.1
109.06503	12.4
109.10126	6.9
111.04462	5.9
111.08087	12.3
113.09606	4.2
115.05456	3.2
117.06997	16.5
119.08570	39.6
121.06519	10.7
121.10159	16.1
123.08069	34.1
125.09609	5.3
126.07464	2.5
128.06282	5.1
129.06992	10.9
129.89082	2.6
130.07809	5.8
131.08566	39.9
133.06432	5.9
133.10115	14.7
135.07997	17.3
135.11690	29.6
137.05946	31.2
137.09660	4.4
143.08583	15.4
144.09305	8.4
145.06496	8.3
145.10123	48.1
147.08032	15.7
147.11688	6.8
149.09576	16.3
149.13229	3.1
151.07532	82.7
153.09088	5.5
154.07800	3.7
155.08568	3.1
156.09373	6.0
157.10118	12.6
159.08031	22.7
159.11678	50.6
160.08878	3.8
161.09599	7.9
161.13229	4.9
162.10390	7.1
163.11180	28.1
165.09096	10.9
169.10106	7.6
171.11671	10.8
172.08830	6.4
173.09589	8.5
173.13290	3.4
175.11201	5.6
177.09094	22.8
177.12720	30.4
181.10109	3.8
181.12340	3.5
183.11731	6.3
185.09590	3.8
185.13266	5.2
187.11151	30.3
189.12737	21.6
193.04993	3.3
197.13286	7.3
199.11124	4.6
201.12891	3.8
205.12221	55.0
205.15869	3.2
207.13730	6.2
209.13416	4.3
209.15315	5.1
217.12251	6.4
221.15334	12.5
223.14827	4.3
225.12555	3.6
233.15385	6.6
241.15623	3.3
246.16179	5.4
247.16978	6.8
286.19241	24.0
311.16687	3.5
324.20782	2.8
329.17520	3.8
338.87320	3.1
367.22644	11.8
385.23730	100.0
386.24023	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	385.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80254	1.0
53.91235	1.2
54.62231	1.1
55.01863	1.7
55.05507	2.6
56.96557	1.3
57.03429	1.7
61.01142	5.9
61.02923	1.5
65.58751	1.2
67.05488	3.3
69.03419	1.2
69.07037	1.9
70.06575	7.6
70.19125	4.5
70.19511	1.8
71.04984	1.2
72.04514	9.2
72.08136	2.9
78.03789	13.1
79.00850	1.0
79.05478	3.3
81.03402	2.9
81.07040	2.9
83.08620	1.0
84.04485	1.9
84.08125	2.2
85.02882	2.8
86.06057	1.7
86.09696	5.7
87.04428	1.1
88.02200	3.0
91.05464	2.7
93.07036	3.1
95.04977	3.9
95.06081	2.3
95.08549	1.3
97.02870	1.9
97.06534	1.5
98.97548	1.4
99.05563	1.4
101.41254	1.1
102.03760	18.1
103.02116	1.2
103.05436	1.7
105.07001	2.6
107.04945	89.8
107.08558	1.3
108.05262	1.9
108.08134	1.2
110.07154	2.5
113.05982	1.5
116.07103	1.8
119.08590	1.1
120.04755	2.1
120.08105	1.7
121.06518	1.3
124.07554	2.3
129.06950	1.0
131.06377	11.7
132.04785	12.5
133.06488	2.3
136.07574	1.5
137.05937	1.9
142.08615	3.0
147.04349	1.2
149.07428	100.0
151.03897	1.3
159.05806	1.6
166.08669	1.4
176.14365	1.5
184.09662	1.5
193.12247	1.8
201.05441	3.5
213.09026	1.2
255.11615	21.9
261.12698	10.1
276.15823	1.2
279.17233	1.4
290.44424	1.2
324.19675	1.7
348.02768	1.1
367.12781	5.4
367.16782	21.3
368.13129	1.1
368.57983	1.1
385.13983	4.8
385.18726	0.7
385.21896	11.8
386.22272	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66044	0.6
51.02375	0.7
53.03942	1.2
55.01880	1.0
55.05510	18.0
57.03426	0.8
58.99318	1.0
58.99586	11.0
67.05509	0.8
69.03436	0.7
69.07053	0.6
70.06584	4.7
71.13673	1.2
72.08148	2.7
73.01136	1.1
76.02224	3.3
76.04012	3.1
79.05489	2.5
81.03418	0.9
81.07063	1.4
83.06098	1.3
83.08616	23.0
83.09110	1.2
84.04520	1.8
84.08125	1.2
85.02896	2.0
86.09705	5.1
86.99051	13.7
88.02218	4.1
91.05496	1.3
95.04972	2.4
95.06103	0.8
97.06490	0.7
99.02701	0.6
99.06345	0.6
99.71627	0.6
101.09642	1.5
107.04950	95.3
108.05315	1.6
109.06547	0.8
110.07158	7.4
116.01674	56.6
116.07085	2.3
119.87617	0.7
120.08056	0.6
123.04465	0.7
129.10208	1.0
130.05013	1.9
133.06470	1.3
137.05966	1.7
144.01140	30.2
145.02818	1.3
151.03900	13.4
151.05075	1.1
156.07706	1.1
159.08368	5.3
162.02194	100.0
163.02466	1.3
168.06491	1.0
177.05498	1.9
190.08588	1.6
201.05437	1.4
204.82452	0.6
244.10010	1.3
262.11075	59.9
263.11407	1.5
279.13718	27.7
280.10428	0.6
280.13940	1.1
309.15579	0.9
322.20993	1.1
339.20648	0.6
368.21658	1.8
385.13742	1.0
385.17670	3.1
385.22147	0.9
386.22717	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	385.0802
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	3.7
56.96545	12.3
57.30931	2.0
60.79775	1.8
64.47644	2.1
64.77594	2.0
69.94267	10.4
70.06592	13.8
73.88708	2.2
84.08096	2.0
85.02881	2.3
93.24744	2.2
98.21358	2.5
98.97570	100.0
107.04942	49.5
116.07172	2.8
116.98608	95.7
119.01893	4.4
123.04420	2.4
128.98552	2.6
134.02783	2.1
134.99646	76.4
136.05132	2.3
146.06082	1.8
146.99562	3.2
147.04370	4.5
152.21449	1.9
153.00717	15.1
158.99648	26.4
177.00703	75.7
177.02231	3.8
178.09741	3.3
192.11278	2.7
195.01759	11.8
200.02222	3.1
205.01707	28.3
206.14694	1.9
219.01743	26.9
219.03627	2.9
223.02754	88.2
236.92343	2.4
237.02782	19.6
238.11827	16.1
241.03831	16.7
246.04271	2.8
260.98410	2.2
265.03806	35.0
279.03842	9.2
300.14786	2.3
343.06882	3.7
353.18292	13.5
385.08176	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	385.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
67.56395	8.9
70.06596	100.0
70.16384	8.5
71.57168	14.5
88.02205	36.1
109.74016	8.8
134.02711	29.6
136.06190	42.3
175.11957	22.6
181.09752	15.4
183.14886	10.0
212.85152	30.6
301.22369	10.6
322.35458	9.4
370.31210	9.4
385.08838	57.7
385.17389	12.7
385.25562	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54993	1.4
53.03936	1.2
54.62009	1.1
55.01872	1.6
55.05503	9.8
55.93517	5.7
56.94303	7.2
56.96545	1.6
67.05502	15.1
69.03431	2.3
69.07050	4.3
70.95856	13.5
71.04953	1.5
71.08614	3.7
71.92988	2.0
72.08147	1.5
72.93393	2.2
72.93785	35.0
74.28677	1.1
75.00032	10.5
79.05496	7.2
81.03397	5.7
81.07057	12.4
83.08605	4.7
88.96896	6.8
90.94821	26.7
91.05486	8.6
93.07059	6.0
95.04946	3.8
95.08600	4.3
97.06528	1.7
97.10181	2.2
99.08064	1.5
100.96822	1.5
102.94795	1.9
105.07037	6.1
106.97948	2.5
107.04934	7.8
107.08594	4.1
107.40499	1.3
108.77282	1.3
108.95853	13.9
109.06517	1.2
109.10163	4.1
113.96412	2.5
116.96355	6.9
116.98597	1.3
117.07021	2.6
118.94285	1.7
119.08572	3.6
121.10133	3.2
125.09578	1.5
125.96096	2.4
126.96925	1.3
126.98460	6.1
128.96336	8.3
129.06927	1.6
130.97897	4.3
131.08554	2.8
131.97397	2.2
132.95917	2.0
133.10176	1.9
134.97392	5.3
134.98944	1.5
136.07506	1.7
136.95293	2.8
138.98390	5.4
140.96339	1.4
141.00005	1.9
141.06956	1.5
142.97893	4.5
144.03244	13.2
144.95811	4.7
144.99464	10.6
145.10135	2.2
146.97380	8.9
147.11633	1.7
148.98935	8.3
149.02321	5.6
149.09528	1.4
150.96863	4.9
151.02020	7.7
152.96358	1.4
152.99969	2.5
154.97876	3.2
156.99458	7.3
158.97432	4.2
159.01016	3.1
160.98923	3.7
162.96835	5.9
164.98619	1.6
164.99992	5.4
165.03584	6.5
166.97885	5.0
168.99486	2.9
170.97411	2.8
171.00998	3.9
172.98961	6.3
175.00487	3.4
175.02002	2.3
176.98410	4.6
178.97864	4.1
179.01494	3.2
180.99492	2.1
183.01070	1.4
184.98949	3.2
185.02632	2.6
186.01187	3.7
187.00504	5.7
188.98460	2.7
189.02090	1.7
189.03630	4.0
191.00055	3.3
192.99443	5.2
193.04980	5.5
195.01086	2.0
196.99031	2.2
197.02364	1.6
199.00459	2.9
199.02075	3.6
201.02039	1.5
201.03670	9.2
202.99942	1.9
204.13722	1.7
207.01010	1.4
211.04175	3.6
213.02061	4.6
215.03632	1.9
217.03177	2.8
225.02016	3.2
227.03517	7.1
229.02948	1.9
229.05183	22.5
233.02628	1.3
237.05649	3.9
239.03630	2.0
239.07355	2.5
241.05135	5.0
243.03165	3.9
245.04698	42.6
246.05177	1.5
247.04149	1.5
249.05647	1.6
252.06760	1.6
255.04411	1.5
255.06664	8.0
257.08350	15.0
259.06180	2.2
263.05710	4.3
265.05173	4.9
267.06766	100.0
268.06448	5.7
271.06274	6.3
273.04211	1.5
275.05701	3.5
275.09247	2.0
280.10080	1.6
283.06235	4.7
285.07813	89.2
286.08115	3.6
303.08865	1.9
308.09415	15.0
331.13544	2.0
349.14566	32.8
349.19281	1.1
367.15714	32.5
368.16174	2.0
368.21933	1.4
385.09634	6.2
385.17148	6.2
385.23810	4.0
390.17371	2.7
408.18271	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	385.0799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30516	0.7
53.03908	0.7
53.33862	0.7
56.50829	0.8
56.96293	1.5
56.96561	26.9
61.02905	1.3
65.22775	0.7
65.56988	0.7
69.03428	1.6
70.06591	5.2
71.10532	0.7
71.10872	1.6
71.95245	1.0
72.08142	1.0
73.02898	1.0
74.50501	0.6
74.97598	1.0
77.28272	1.0
81.03414	1.5
84.04487	0.8
84.96014	10.0
85.02895	4.0
86.09720	0.7
88.02206	4.1
91.05463	0.8
92.49765	0.7
95.04948	1.2
97.02856	3.0
98.97571	41.4
102.97067	1.7
105.07011	0.9
107.04944	51.6
108.05303	1.5
109.02847	0.8
110.97556	11.3
112.99135	1.3
116.07069	1.0
116.98613	40.3
119.01919	3.1
119.04907	0.7
121.06480	0.9
122.05977	1.0
123.04401	2.7
126.05491	0.8
127.03909	0.9
128.98595	29.2
131.00192	3.8
131.01869	1.2
134.02751	4.3
134.99649	25.2
136.06177	6.9
136.07115	0.9
136.07614	0.9
137.02980	1.1
137.05954	1.2
138.05446	0.9
140.98584	1.5
143.00130	3.9
144.98112	1.6
145.03577	1.0
146.99632	40.1
149.01195	4.9
152.98587	1.9
153.00673	3.9
155.00298	0.9
155.01819	1.2
158.01202	1.2
158.99666	4.7
161.01208	10.5
161.02704	1.3
162.99112	2.7
164.06982	0.9
165.00685	7.0
170.99623	11.0
173.01283	1.7
173.02979	2.1
177.00703	12.0
179.02377	3.3
181.01717	5.1
181.03459	3.9
183.05083	0.9
185.02910	1.3
188.02419	0.8
189.00676	9.3
191.02248	1.3
195.01772	2.5
199.02722	2.2
199.04491	2.2
201.00610	3.9
203.03969	2.5
204.08690	1.3
205.01678	1.2
205.09666	1.8
207.01700	1.2
207.05052	1.3
209.01172	1.8
212.02333	0.7
213.00647	1.3
219.01717	32.9
219.05194	1.7
221.05037	14.4
223.02744	2.8
223.04617	1.7
223.10785	2.9
227.02103	1.2
233.06700	1.6
235.02718	3.3
237.02791	100.0
239.03145	0.8
241.03815	1.8
242.03357	1.6
242.07210	1.6
242.57379	0.7
244.47197	0.7
245.05037	1.0
249.04118	0.8
250.07356	0.9
253.03833	1.5
255.03845	9.7
259.04611	2.0
260.04333	3.5
261.04489	3.3
265.03720	1.2
279.05560	2.2
283.04660	1.2
295.04617	0.7
307.04913	9.0
309.08224	2.0
325.05902	84.9
327.09167	1.0
343.06873	22.1
385.07944	20.9
385.15900	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71263	1.3
56.96561	2.3
70.91043	4.3
82.21845	1.3
87.96883	1.8
97.21254	1.3
98.97585	10.8
116.98634	13.3
119.01932	7.1
134.99651	18.2
137.02928	3.8
138.54733	1.4
153.00725	4.9
177.00975	20.7
178.01031	3.2
179.00691	1.8
184.48773	1.5
201.01007	2.3
202.62527	1.3
217.04135	2.2
219.02007	29.1
219.03958	2.1
220.02109	5.7
221.01846	5.3
225.01126	3.1
234.99901	3.8
236.00096	3.3
236.99785	8.6
237.99892	1.8
243.02019	5.4
253.01085	2.3
255.00948	4.0
258.99872	11.0
259.02393	1.7
260.00122	5.8
260.99829	22.6
261.03070	95.7
261.99899	4.4
262.03271	7.2
263.02844	3.5
266.99152	1.9
277.00925	22.4
278.01114	11.3
279.00809	36.4
280.00992	4.0
283.00015	8.1
284.00232	5.8
284.04706	4.1
284.99878	35.8
285.99805	5.3
301.01028	19.7
302.01172	16.4
303.00858	100.0
304.00980	17.7
305.00681	2.0
318.00522	2.5
320.02328	1.8
321.01791	6.7
326.02213	3.7
343.01749	4.7
361.01392	20.5
379.02591	13.3
385.03452	12.4
402.04871	1.8
403.00519	7.2
403.04300	14.6
408.04623	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	384.261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
55.01874	2.2
55.05495	7.5
57.06823	1.9
57.07077	24.1
59.04986	5.1
62.23835	1.9
65.03943	2.2
66.15050	1.7
67.05503	14.1
68.05830	3.2
69.03402	9.3
69.07066	7.4
69.73669	4.6
69.74094	7.5
70.04073	31.0
71.04959	2.3
79.05486	15.9
80.05820	4.1
81.07040	16.3
82.07389	5.8
83.04978	3.1
83.08608	2.0
85.06544	1.9
91.05479	19.6
92.05803	5.5
93.07042	42.6
94.07354	17.4
95.04959	13.3
95.08601	16.4
96.05279	6.0
96.08950	5.9
97.06512	5.4
98.06808	2.5
103.05500	2.6
105.03407	2.2
105.07028	36.8
106.07330	13.2
107.08590	16.2
108.08910	6.8
109.06521	13.6
109.10137	7.9
110.06796	4.5
110.10469	3.1
111.08068	4.3
114.59492	1.7
117.06999	6.2
117.66000	1.9
119.08592	22.9
120.08866	12.7
121.06522	6.7
121.10159	19.3
122.06882	2.0
122.10487	7.9
123.08060	12.6
124.08407	7.3
129.06981	3.5
130.07387	3.6
130.31288	1.8
131.08569	10.5
132.08929	4.9
133.06480	4.1
133.10141	9.7
134.10461	6.7
135.08040	8.3
135.11655	2.3
136.08376	7.0
137.09592	5.2
138.09976	2.2
141.07002	2.4
142.07761	7.0
143.08559	8.7
144.08894	4.9
145.10139	12.0
146.10498	10.0
147.08012	12.5
147.11700	4.4
148.08412	6.2
148.11995	3.8
149.09579	9.4
150.09932	6.7
151.07541	14.8
152.07869	10.0
155.08415	1.9
156.09105	2.2
157.10136	10.9
158.10454	11.4
159.08047	3.9
159.11714	4.4
160.08383	2.2
160.12015	5.4
161.09587	7.2
162.09950	6.5
163.11136	2.8
165.09140	13.1
166.08041	3.1
166.09457	9.9
169.10153	1.9
170.10721	2.2
171.11372	4.4
172.11996	3.0
173.09610	4.6
173.13179	2.8
174.10004	3.6
175.11131	7.1
175.14825	2.5
176.11525	7.3
176.15140	4.1
177.09119	2.7
178.09552	4.0
181.06520	1.9
183.11526	2.2
185.13266	9.1
186.13609	7.5
187.14854	2.9
188.15135	2.0
189.12669	4.4
190.13109	4.6
195.08206	3.3
195.11575	2.3
196.08940	3.2
197.13234	1.8
198.13591	2.2
199.06958	3.1
199.11136	2.2
201.12703	3.9
202.13109	3.3
203.14256	10.5
204.14641	11.7
207.13725	4.9
208.12215	2.0
208.14146	4.2
209.15450	2.0
210.13774	1.8
214.12962	2.2
214.16705	1.8
215.14468	2.2
221.15373	20.1
222.15686	27.0
229.04147	100.0
230.04501	6.9
232.14215	2.7
234.15886	5.5
235.16534	2.9
259.05350	4.9
266.16068	2.8
287.19766	5.9
288.20404	5.8
300.20465	3.8
304.19925	4.2
310.18536	2.5
366.25037	8.1
384.14999	3.4
384.26108	55.0
385.26633	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	384.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.8
55.01881	0.7
55.05500	2.6
56.05030	1.3
56.33894	0.7
56.96575	1.6
57.03432	2.6
57.07077	12.7
58.06597	1.4
59.03265	0.7
60.04521	1.3
60.07879	1.2
60.08163	17.1
64.81670	0.6
65.09978	0.7
67.05506	4.7
68.05812	0.8
69.35825	6.3
69.45143	0.6
70.06586	3.9
70.88924	0.6
70.90926	0.6
71.07370	3.9
72.08167	1.7
79.05489	2.2
81.07052	3.0
83.08630	1.0
84.08149	1.9
86.09708	49.0
89.06025	0.9
91.05481	2.0
93.07044	2.9
95.04977	1.1
95.08608	1.5
95.97119	0.8
97.06527	0.8
97.10139	1.0
98.21532	1.4
98.98456	2.7
103.07570	0.9
104.10742	100.0
105.07042	2.1
105.11101	0.8
107.04968	6.0
108.05286	1.8
108.08931	0.8
109.10141	1.7
110.07215	1.2
111.04502	0.9
117.07028	0.7
118.07262	0.7
119.08638	0.8
120.08070	1.1
121.10149	0.8
122.10466	1.0
125.00002	22.4
127.11189	2.0
129.07043	0.9
131.04926	1.2
131.07661	0.8
131.08566	1.3
133.10103	0.8
145.06458	1.1
145.10193	0.8
145.78365	0.7
147.08081	0.7
160.11978	0.9
165.06909	0.9
183.08113	1.0
184.07341	91.2
185.07716	0.7
201.14842	5.5
212.77687	0.8
219.07893	0.8
220.14545	0.7
223.07574	0.7
235.07506	0.8
238.16777	0.8
258.10977	1.3
274.18759	1.2
366.20248	7.7
384.16806	2.5
384.21329	16.4
385.14291	0.9
385.20703	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	1.0
56.05025	0.5
56.96554	1.5
57.03420	1.5
57.07071	3.7
58.06600	0.4
60.08162	6.3
67.05489	1.7
69.01595	0.3
69.07066	0.8
70.06253	0.4
70.06586	2.2
71.07365	3.4
72.08140	0.6
79.01318	0.3
79.05471	1.4
81.07045	1.9
83.04988	0.5
84.08131	1.2
86.09705	33.2
87.10000	0.3
89.06010	0.4
91.05463	1.0
92.05843	0.4
93.07034	1.3
95.04945	0.8
95.08602	0.9
97.06507	0.4
98.98466	3.2
100.39754	0.4
104.10757	3.4
105.07024	0.6
107.04951	1.7
107.08580	0.6
109.10139	0.9
110.07144	0.8
119.08565	0.5
120.08075	1.1
122.27844	0.4
123.08038	0.5
125.00004	22.9
127.11194	0.7
129.07092	0.4
129.10153	0.5
131.08537	0.4
145.12311	0.5
184.07336	100.0
185.07715	1.0
201.14865	2.5
235.90640	0.4
240.09828	0.5
252.07304	0.6
257.10641	0.5
258.10760	0.5
263.16415	0.4
274.18698	0.6
292.19919	1.0
384.17316	1.0
384.21429	2.4
398.02267	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08371	0.3
55.05498	1.5
56.05024	1.2
57.03427	0.7
67.05488	1.6
68.05021	0.6
69.03408	0.3
69.07045	0.5
70.06582	1.4
71.04980	0.5
71.21221	0.8
72.08130	0.5
79.05476	1.5
80.04998	0.4
81.03411	2.0
81.04533	1.3
81.07047	2.3
82.05324	1.2
83.04988	0.7
83.06098	12.4
83.08607	0.6
84.08131	0.5
84.58499	0.3
85.02899	3.0
86.09673	0.5
91.05462	1.7
93.04523	8.1
93.07024	1.5
95.04959	1.0
95.06078	12.0
95.08573	0.7
97.02882	0.6
102.86668	0.3
105.07063	0.8
107.04964	2.3
107.06068	1.2
107.08599	0.7
109.06435	0.5
110.07155	69.9
111.05550	2.1
111.07453	0.4
111.08105	0.4
112.08731	2.7
113.07121	1.3
119.08562	0.9
120.05607	0.5
121.07630	0.4
121.10108	0.8
131.06042	0.7
133.07545	0.4
136.07616	0.5
139.05038	0.6
147.04398	0.7
147.08023	0.4
147.11702	0.7
148.08690	0.5
149.09464	0.4
156.07672	7.5
157.10176	0.4
193.12292	0.8
193.59793	0.3
257.16531	0.6
275.17456	0.8
284.17517	0.7
285.16022	0.5
293.18536	2.8
302.18671	1.5
303.17056	0.5
304.20157	0.4
308.04190	0.3
311.19614	0.4
320.19711	3.3
323.19666	1.1
338.20703	33.1
339.19196	1.2
340.22275	1.6
366.20224	1.9
384.21252	100.0
385.21573	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63493	0.5
55.05496	1.9
56.05018	1.9
61.05711	0.5
67.05488	1.2
68.05032	0.8
69.07091	0.9
69.43780	0.6
70.06592	4.5
70.94067	1.3
70.94407	0.8
72.08152	1.4
79.05500	1.7
80.05008	1.7
81.02287	0.6
81.03415	1.8
81.04524	2.2
81.07037	1.5
82.05322	0.9
83.06104	10.8
83.08625	0.9
84.04491	1.2
84.08139	2.0
85.02901	1.5
86.09697	1.5
91.05466	1.9
93.04530	6.5
93.07033	0.7
95.04972	1.2
95.05508	1.0
95.06092	14.3
105.07021	0.8
107.06071	5.4
108.05569	0.6
109.06352	1.4
109.07660	1.0
110.07163	47.4
111.05562	2.2
112.08734	1.7
112.59153	0.6
113.07139	1.3
119.06052	1.0
119.08579	1.1
120.05576	1.6
120.08113	1.2
121.07663	2.9
122.07160	1.7
123.09116	0.7
129.10216	0.9
131.06053	3.2
133.06677	0.6
133.07603	3.8
134.07101	0.7
138.09325	0.6
139.80200	0.6
148.08708	2.5
150.10262	1.6
156.07719	5.0
194.30986	0.7
247.18141	0.7
248.16542	0.7
257.16440	2.3
266.71967	0.6
275.17505	3.0
284.17462	1.3
285.16022	1.8
292.20203	0.7
293.18576	12.9
294.18753	0.9
302.18552	2.7
303.16928	0.9
305.18738	0.6
311.19415	0.6
318.87177	0.5
320.19687	6.8
323.19553	1.3
338.20709	30.3
339.19171	0.7
340.22299	1.5
366.20187	5.4
376.64050	0.7
384.21292	100.0
385.21530	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	384.147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.7
53.03942	1.9
57.07071	27.0
67.05492	0.5
69.07048	0.9
70.04070	100.0
70.58288	0.9
70.58696	0.9
71.04395	0.7
77.03952	0.6
87.37407	0.4
91.05477	2.4
94.69189	0.5
95.04961	5.2
103.05432	0.7
105.04496	1.2
105.07022	1.2
113.01546	6.8
115.05461	0.6
117.07008	10.4
119.08577	0.5
129.06920	0.6
131.04919	0.6
131.08578	0.7
141.01004	62.5
142.01405	0.9
145.10130	0.8
159.11690	4.3
165.07014	2.0
166.07712	2.4
167.08539	1.3
169.10078	1.4
169.65765	0.4
175.11176	0.7
178.07773	9.6
181.06482	0.7
186.16858	0.5
187.11192	0.6
193.06465	0.7
194.07251	25.7
195.07980	2.2
196.08778	0.8
212.70892	0.5
213.04668	4.7
229.04129	17.7
230.04472	0.8
231.05725	1.0
241.04077	1.8
243.10890	0.7
259.05203	3.4
274.11215	0.5
315.11325	0.8
384.14713	5.0
393.89713	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17510	1.2
51.70393	1.3
53.03912	1.3
55.05495	2.4
56.05021	5.1
56.96566	1.6
57.03440	2.1
60.04520	1.3
61.01126	3.1
67.05491	3.8
69.07059	3.2
70.02964	1.7
70.06591	21.0
70.83556	4.3
71.05001	1.7
72.08156	9.2
77.31866	1.2
79.05476	2.7
81.07060	2.4
83.06097	1.5
84.04486	4.5
84.08137	12.0
85.02888	2.0
85.88719	1.2
86.09707	8.3
88.03997	4.1
91.05477	4.3
95.04942	2.6
95.06089	1.7
95.08643	1.5
101.97511	1.4
103.05436	1.6
104.05340	2.1
104.10743	1.9
107.04959	10.6
110.07182	7.5
115.05447	2.6
115.68074	1.5
120.08099	6.7
121.31088	1.3
129.10243	5.0
130.08769	1.5
131.04921	2.8
133.06470	2.6
136.06134	1.5
140.60638	1.3
141.06996	6.6
144.05719	2.2
145.06506	2.5
156.25601	1.2
157.06499	1.4
169.06496	100.0
170.06807	2.0
184.07317	3.0
187.07553	5.3
219.07974	1.4
243.15923	1.5
267.10065	1.6
268.68402	1.2
277.08548	2.4
279.10196	2.0
296.13983	1.4
384.20786	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	384.1148
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
55.01851	1.3
56.96548	0.6
57.03428	3.0
59.80540	0.3
61.02909	0.7
69.03413	1.5
70.02934	0.4
70.06574	0.9
70.73085	1.0
71.01360	0.9
73.02901	1.2
76.87878	0.3
84.08125	0.4
85.02898	2.4
94.10115	0.4
94.18745	0.3
97.02877	0.7
98.97576	0.5
99.00788	0.8
99.73244	0.3
107.04939	1.6
109.95448	0.3
110.07130	0.5
113.86454	0.3
115.03904	0.5
115.55607	0.4
116.98598	0.8
118.84890	0.3
119.03553	0.3
120.04473	0.3
121.05096	1.2
133.04980	0.7
134.99622	0.5
135.06610	1.8
136.06168	18.3
137.04556	1.2
142.00769	0.3
147.04323	0.6
148.06177	6.6
151.03937	0.5
155.05592	0.7
160.06134	0.8
162.07735	37.5
163.08032	0.8
177.00623	0.3
188.05666	13.3
192.05145	18.6
206.06697	7.0
216.05139	0.8
234.06197	12.2
237.02789	0.5
252.07259	100.0
253.07550	3.0
267.72076	0.4
306.30786	0.3
384.11441	24.5
385.11850	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1471
Annotation	AMG-208
Peak:m/z	Relative Intensity
50.01591	0.3
53.00295	0.5
53.03941	0.8
55.01875	0.3
55.05506	1.8
56.96549	0.4
57.03443	0.4
57.07070	17.9
61.02923	0.5
63.76873	0.4
65.03936	2.7
67.05502	4.0
68.05833	0.6
69.07062	62.5
70.04060	1.0
70.06557	0.4
70.07439	0.6
70.07842	3.3
70.10112	0.7
70.10498	0.8
73.02903	0.3
75.00047	0.4
79.05491	1.1
81.07043	1.2
81.27499	0.3
85.02913	0.6
85.06511	0.4
89.01588	0.8
89.45329	0.3
91.01279	1.0
91.05473	100.0
91.42046	0.4
92.05798	1.7
93.07041	1.2
94.04199	0.4
95.04968	0.9
95.06097	0.7
95.08613	0.8
98.99998	2.4
103.03101	0.8
104.06251	0.6
105.07012	0.6
107.04947	1.2
107.08577	0.8
107.65478	0.4
109.06543	0.4
109.10165	1.5
110.10490	0.8
111.04413	0.7
111.28967	0.4
113.01556	1.5
115.07555	7.5
115.08370	0.4
117.67696	0.4
119.08558	0.7
121.06400	0.7
124.13889	0.3
126.99464	6.0
127.03088	0.6
128.99156	0.7
129.01033	8.4
129.01929	0.7
131.00748	1.7
133.10120	0.7
134.05925	0.4
138.06310	0.4
139.00574	0.8
141.01007	10.4
143.00739	1.5
143.08553	0.4
150.93201	0.3
151.00694	0.4
155.02565	4.2
157.02332	0.6
160.08701	1.3
161.09625	0.7
172.08778	0.4
173.09492	2.6
189.00650	0.3
190.09735	0.3
196.52483	0.3
197.07272	27.4
198.07545	0.8
199.06961	4.2
200.08170	1.7
201.58481	0.3
204.35042	0.3
205.04225	0.3
205.08435	3.1
223.16470	0.3
225.06754	1.4
255.11398	0.5
257.11017	0.6
257.15204	3.1
278.17563	0.4
292.19870	0.4
384.10382	8.9
384.14694	41.7
384.25037	1.1
385.14874	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	2.3
53.03944	5.6
55.05502	20.3
57.07078	13.7
59.04998	7.5
65.03933	2.8
67.05500	42.8
68.12638	2.0
69.03416	10.9
69.07063	16.4
69.27554	6.4
69.27966	16.1
71.04988	6.3
72.22423	2.1
73.22446	2.3
79.05489	32.9
81.07048	39.1
83.04981	7.7
83.08617	4.7
85.06528	6.3
85.08891	2.2
86.03567	6.7
91.05479	48.2
93.07037	100.0
93.07626	5.4
95.04956	24.0
95.08601	49.0
97.06519	15.4
100.54002	2.4
103.05486	2.4
105.07030	76.9
107.04949	61.9
107.08595	42.9
109.06508	28.8
109.10143	37.2
111.08085	8.7
115.05434	2.5
116.06219	3.1
117.07021	13.8
119.08569	56.0
120.09386	2.5
121.06504	17.7
121.10136	43.2
122.07275	3.0
123.08068	30.1
123.11722	3.0
128.06209	11.4
129.06987	10.7
131.08554	26.1
133.06488	16.7
133.10130	32.6
135.08047	21.3
135.11664	6.3
135.16431	2.1
137.05952	3.2
137.09605	13.2
138.10281	3.4
139.10606	3.0
141.06982	8.5
142.07761	20.1
142.94740	2.3
143.08554	21.7
144.09270	5.5
145.06494	9.9
145.10114	31.2
147.08009	31.0
147.11670	18.7
148.08667	2.8
149.09589	22.9
151.07533	41.1
153.09132	2.8
155.08556	8.3
156.09348	7.4
157.06473	21.7
157.10123	42.9
158.07231	3.1
158.10664	2.6
158.97676	13.2
159.08083	13.0
159.11668	16.0
160.08701	3.0
161.09593	21.3
161.13271	7.1
163.11194	5.1
165.07040	2.9
165.09091	44.5
166.09213	2.3
167.08516	2.8
168.09334	4.1
169.10106	5.9
170.10880	6.2
171.08040	14.6
171.11700	8.7
173.09631	15.2
173.11781	4.4
173.13269	8.6
175.11156	21.2
175.14856	8.7
177.09084	13.5
178.09883	3.2
179.08557	3.2
183.08067	7.7
183.11716	8.2
185.09676	15.1
185.13235	20.8
187.11186	8.1
187.14844	3.6
188.11884	2.7
189.12697	10.8
191.14296	3.9
194.10960	2.7
195.11726	3.5
197.09608	4.6
197.13286	6.0
199.11191	8.8
199.14914	2.7
201.12692	9.6
203.14291	30.4
207.11794	5.3
207.13805	10.5
209.13362	5.0
209.15343	5.9
211.11159	6.7
213.12750	14.5
215.14359	6.0
219.11780	2.6
219.13776	5.6
221.15352	84.2
222.15582	2.6
225.12703	8.0
225.16331	3.1
227.14351	7.1
229.15869	2.4
231.13797	4.0
233.15460	5.2
234.16081	11.1
237.14787	4.5
241.15936	3.6
243.13800	3.7
265.15558	2.3
281.19037	5.0
286.19293	5.2
287.19983	8.0
299.20071	7.3
303.19583	9.6
309.18549	4.8
315.95724	7.0
365.24695	21.7
366.25009	2.5
367.98358	2.3
379.18927	2.7
383.25742	72.7
383.30582	4.9
384.01895	4.3
384.26038	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	383.2577
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
51.73444	2.3
53.03937	4.6
53.73912	2.7
55.05505	17.2
57.07077	12.2
59.04977	7.3
59.61752	2.4
61.45266	2.8
67.05499	38.9
69.03420	17.0
69.07075	12.8
69.47219	23.0
71.04983	7.0
77.51546	2.5
79.05484	33.5
80.21879	2.9
80.81750	2.3
81.07051	40.0
83.04955	6.5
83.08604	6.5
83.66839	2.7
85.02904	3.0
85.06532	6.4
91.05470	47.0
92.47543	2.5
93.07038	98.3
93.07625	5.5
95.04961	31.4
95.08601	48.5
97.06521	17.3
97.19501	2.3
98.16149	2.6
101.35921	2.8
103.05418	3.4
105.07027	100.0
107.04948	30.7
107.08584	48.5
109.06506	29.0
109.10165	26.2
111.08072	9.9
115.05504	4.6
117.07008	14.5
119.08578	64.4
120.09361	3.3
121.06500	17.1
121.10120	42.7
123.08048	41.6
128.06195	7.7
129.07016	15.4
130.07785	6.8
131.08548	33.9
133.06503	8.0
133.10115	32.2
135.08040	24.5
135.11694	5.4
137.05920	2.7
137.09612	17.3
141.06956	8.5
142.07785	25.6
143.08560	30.2
144.09320	5.1
145.06462	8.9
145.10110	49.2
146.07265	4.5
147.08034	26.5
147.11710	18.3
148.08800	5.6
149.09596	19.2
151.07529	45.1
153.09065	4.9
153.26053	2.7
155.08556	9.8
156.09315	13.6
157.06534	4.5
157.10126	48.3
158.07146	3.0
159.08051	9.2
159.11699	21.3
160.08826	3.7
161.09576	23.5
161.13277	9.9
163.11171	7.9
165.09108	52.5
167.08546	3.2
169.10078	5.6
170.10896	8.4
171.08058	4.8
171.11678	13.9
173.08240	2.6
173.09587	15.8
173.13251	9.5
174.71498	2.7
175.11185	28.2
175.14813	10.1
177.09137	12.8
178.09918	2.7
181.10168	4.6
181.12154	4.5
182.10916	3.1
183.11626	7.5
185.09622	7.6
185.13199	20.0
187.11316	5.5
187.14816	5.9
189.12724	16.5
191.14330	4.0
195.07991	3.2
195.11646	4.4
197.09555	3.3
197.13283	7.4
199.11211	7.8
201.12740	12.0
203.14308	34.8
207.11742	5.8
207.13786	12.0
209.13271	6.5
209.15285	7.0
211.11142	5.5
211.14702	4.2
213.12737	7.1
213.16307	2.7
215.14301	10.9
219.13866	4.4
221.15338	92.2
223.14725	3.8
225.12808	4.7
227.14346	6.5
229.15858	3.1
231.13692	5.0
233.15375	7.5
234.16093	10.6
237.14648	4.1
243.13928	3.9
281.18985	6.5
286.19168	3.4
287.20023	12.6
299.20065	6.3
303.19510	8.1
309.18671	4.2
347.23569	2.9
365.24857	21.9
383.20264	8.1
383.25717	91.7
384.26028	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2577
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
52.65154	3.1
53.03935	6.0
55.05501	15.5
57.07065	16.2
59.04980	3.3
61.45118	2.9
67.05500	31.5
69.03429	15.3
69.07046	9.8
69.47390	29.9
70.04057	4.6
71.05008	4.8
79.05489	29.4
81.07042	40.1
83.04996	6.2
83.08618	5.2
84.01523	3.6
85.06544	6.6
87.26658	3.5
91.05470	47.1
93.07036	100.0
95.04953	24.1
95.08608	36.9
97.06525	14.0
103.05495	4.1
105.07025	96.4
105.19862	3.5
107.04967	3.4
107.08586	48.4
109.06518	34.6
109.10160	15.3
109.10845	2.9
111.08070	10.1
112.49350	3.1
115.05429	3.7
117.07007	8.9
119.08570	59.1
120.09344	4.4
121.06480	17.3
121.10149	44.5
123.08085	37.0
128.06207	7.1
129.07011	16.3
130.07817	8.1
131.08545	29.6
133.06534	7.4
133.10118	34.0
135.08046	20.7
135.11708	6.6
137.06006	3.8
137.09599	12.1
141.06979	5.2
142.07735	20.4
143.08578	30.2
144.09355	5.5
145.10098	43.4
146.07292	5.2
147.08061	27.6
147.11688	15.3
149.09587	19.4
151.07535	37.1
153.09129	3.9
155.08530	7.5
156.09338	10.9
157.10114	47.2
158.07246	3.8
159.08066	5.9
159.11681	19.1
160.08820	5.5
161.09608	15.2
161.13266	7.6
163.11195	3.5
165.09120	43.0
167.08542	5.2
169.10080	6.7
169.15024	4.0
170.10905	6.0
171.11658	6.9
173.09662	7.2
173.13283	10.4
175.11148	26.1
175.14833	9.9
177.09143	10.3
181.10103	4.2
183.11658	8.8
185.13242	20.8
187.14812	3.5
189.12769	12.6
191.14302	5.4
195.11601	3.9
197.09566	3.8
197.13307	5.0
199.14754	3.4
201.12720	8.5
203.14253	29.3
207.13824	8.1
209.15306	4.7
213.12735	4.2
215.14339	10.5
219.13904	7.9
221.13329	7.6
221.15337	65.8
229.04071	17.6
229.12106	4.2
231.13715	4.3
233.15388	4.9
234.16154	12.8
243.13731	5.0
281.18982	6.2
286.19318	5.1
287.20068	13.6
299.20084	5.8
303.19489	7.1
309.18408	5.3
347.23773	3.8
365.24615	12.9
383.25772	77.9
384.26141	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03922	2.5
53.03930	9.3
55.05495	13.2
57.03423	6.7
57.07079	21.1
59.04996	6.0
59.63018	2.8
62.28645	2.9
65.03928	2.9
67.05504	44.3
69.03431	22.9
69.07063	17.7
70.04073	47.9
71.04995	7.3
72.02448	2.4
79.05480	34.3
80.06274	3.6
81.03398	5.4
81.07050	35.8
83.04958	5.4
83.08597	3.3
85.02924	3.3
91.05473	55.2
93.07035	100.0
94.07355	3.6
95.04960	28.6
95.08604	38.8
97.02924	4.6
97.06521	13.5
103.05450	2.9
105.07024	93.9
107.08583	46.8
109.06519	21.5
109.10140	25.6
111.08059	12.1
115.05410	4.4
117.06999	36.0
119.08581	55.7
120.09358	3.7
121.03495	3.3
121.06483	14.4
121.10131	47.6
123.08044	31.1
123.11660	3.5
128.06204	9.7
129.07014	13.5
130.07793	6.0
131.08559	37.1
132.19290	2.9
133.06477	8.5
133.10114	34.3
135.08043	28.2
135.11705	4.7
137.09583	13.7
141.00999	17.3
141.06975	4.8
142.07774	19.3
143.08565	22.2
145.10112	36.2
146.07254	3.3
147.08012	29.3
147.11623	16.9
149.09619	27.9
151.07530	38.0
153.09059	5.6
155.08539	6.9
156.09285	8.0
157.10098	35.8
159.08008	8.8
159.11649	22.7
160.08885	4.4
161.09604	19.7
161.13222	8.2
163.11124	9.5
165.09109	39.6
169.10077	8.3
170.10948	3.4
171.11655	7.9
173.09613	9.9
173.13292	10.1
174.10315	5.2
175.11163	17.7
175.14795	5.9
177.09122	12.0
178.09927	5.4
181.10033	3.9
181.12126	3.0
182.11115	3.7
183.11667	8.0
185.09491	5.2
185.13264	16.7
187.11180	5.5
189.12762	12.7
194.07269	7.9
195.11856	3.4
197.13322	6.7
201.12744	7.7
203.14288	31.5
207.11923	3.6
207.13763	14.9
209.13202	7.7
209.15244	5.7
213.12685	4.8
215.10718	3.9
215.14323	8.1
219.13719	5.5
221.15352	76.0
222.15605	4.4
227.14317	5.3
229.04179	4.5
233.15355	6.7
234.16168	11.9
237.14775	4.1
243.11053	3.9
243.13831	4.2
263.17792	2.7
269.12415	4.0
286.19211	4.4
287.20001	10.2
299.20117	5.0
303.19571	8.7
309.18585	3.4
335.25668	4.1
347.23694	3.3
365.24710	12.3
383.20850	5.9
383.25745	64.8
383.70538	3.4
384.25937	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	383.2577
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03939	6.1
55.05502	17.1
57.07076	11.8
59.04996	8.3
67.05500	37.0
69.03429	14.7
69.07063	13.0
71.05005	6.2
71.20725	5.8
71.21051	3.8
77.03928	3.4
79.05485	36.0
81.03422	3.4
81.07058	46.2
83.04958	7.5
83.08630	2.8
85.06520	4.8
91.05475	50.3
93.07040	100.0
95.04954	29.9
95.08598	44.1
96.05607	38.1
97.05939	11.4
97.06532	19.2
101.40892	3.0
103.05473	3.6
105.07022	81.2
107.08580	43.8
109.06516	26.0
109.10148	22.2
111.08066	11.5
112.50424	2.7
113.09650	3.0
114.06657	12.5
117.07008	13.8
119.08579	55.9
121.06472	14.1
121.10150	47.3
123.08048	34.7
125.09726	3.6
128.06236	7.3
129.06999	13.8
130.07758	5.9
131.08575	30.4
133.06474	11.7
133.10126	34.7
135.08037	21.4
135.11693	5.6
137.06023	3.6
137.09628	13.3
138.10254	75.9
139.10641	42.8
141.07008	5.5
142.07770	21.4
143.08546	30.9
144.09366	6.7
145.06485	6.0
145.10132	42.0
147.08047	23.1
147.11687	17.4
149.09622	25.8
151.07524	43.4
153.09106	5.0
155.08539	10.1
156.09354	8.8
157.10114	45.4
159.08051	11.3
159.11697	16.9
160.08813	6.0
161.09610	24.3
161.13246	8.5
163.11169	9.5
165.09084	40.3
169.10158	7.1
170.10892	5.4
171.11693	13.8
173.09605	10.2
173.13306	8.9
175.11195	25.2
175.14783	10.1
177.09100	17.6
179.08568	4.7
179.78786	3.1
181.10225	4.0
181.12282	3.8
183.11708	8.6
185.09586	4.9
185.13268	19.3
187.11232	6.4
187.14786	3.6
189.12718	15.0
191.14305	3.6
195.11749	6.2
197.13252	9.8
199.11134	3.7
201.12811	9.9
203.14307	34.2
207.11859	6.0
207.13855	14.2
209.13350	4.6
209.15419	5.6
211.14828	4.4
213.12694	5.2
215.10652	2.8
215.14302	12.0
216.14925	4.2
219.13727	6.2
221.13458	3.4
221.15352	77.3
225.12712	5.4
225.16321	4.3
227.14235	7.3
233.15381	10.8
234.16121	16.7
274.19110	4.3
281.19049	5.3
286.19287	7.8
286.60480	3.5
287.20090	11.5
299.20081	8.1
303.19446	8.6
309.18369	5.9
342.09479	3.4
365.24765	10.6
383.17401	10.3
383.25781	81.5
384.08463	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2575
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
51.02373	2.7
52.27549	2.3
53.03933	6.2
55.01841	3.8
55.05509	18.1
57.03416	2.2
57.07064	11.6
59.04986	6.5
65.03935	3.0
67.05167	3.3
67.05501	40.2
67.05860	2.7
69.03415	20.0
69.07057	11.7
71.04984	6.5
72.14819	1.9
79.05479	34.3
81.07051	41.8
83.04972	8.3
83.08601	5.6
85.06551	6.0
91.05470	54.7
93.07033	100.0
95.04960	32.4
95.08598	44.6
97.06529	16.4
103.05419	2.6
105.07020	91.3
107.04939	3.3
107.08586	53.6
108.05694	2.0
109.06508	30.5
109.10151	26.4
111.07346	1.8
111.08046	10.3
112.05016	2.3
115.05449	3.1
117.07028	15.3
119.08566	64.7
120.09353	3.2
121.06480	15.9
121.10133	49.3
122.07264	2.5
123.08058	37.6
123.11717	2.4
125.06005	3.3
125.09590	2.3
125.49719	2.0
128.06178	9.2
129.07007	16.5
130.07747	5.3
131.08543	29.9
133.06532	10.5
133.07349	2.0
133.10112	34.0
135.08037	22.3
135.11679	9.1
137.05959	3.9
137.09566	11.6
140.03592	2.0
141.06985	5.1
142.07759	26.7
143.08548	28.1
144.09309	3.6
145.06474	3.9
145.10110	41.6
146.07298	2.8
147.08034	27.7
147.11667	24.8
148.08794	4.1
149.09613	24.7
150.10306	2.4
151.07530	49.5
153.09116	4.9
155.08556	11.6
156.09346	11.8
157.10110	47.3
158.10738	3.4
159.08043	9.0
159.11708	18.6
160.08879	2.9
161.09608	26.6
161.13264	8.5
163.11168	10.7
165.09073	43.3
165.10309	3.5
167.08569	2.7
168.09386	2.4
169.10156	8.4
170.10863	8.1
171.11638	10.0
173.09673	12.2
173.10992	1.6
173.11829	2.1
173.13248	9.5
175.11150	26.5
175.12560	3.0
175.14767	10.1
177.09044	13.1
177.12881	2.1
178.09787	2.8
179.08467	3.1
181.10162	3.6
182.10910	3.0
183.11687	8.0
185.09538	3.0
185.13240	22.4
187.11252	4.8
187.14828	3.5
189.12729	11.7
191.14337	3.3
193.10152	3.6
195.11708	6.2
197.13232	6.2
198.10431	2.3
199.11258	6.1
199.14893	3.6
200.12041	2.8
201.12785	8.8
203.14284	31.9
206.16608	1.8
207.11981	3.2
207.13774	14.5
209.13217	6.2
209.15367	7.4
211.11208	2.0
211.14789	2.4
213.12769	6.5
215.14308	7.5
217.12320	2.1
219.13815	7.7
221.15331	74.5
225.12802	3.8
225.16270	4.5
227.14412	3.5
230.12936	3.0
231.13768	4.6
233.13252	3.0
233.15359	5.9
234.16112	9.3
241.15866	2.8
241.19675	2.0
263.17874	3.5
265.24280	2.1
271.16730	2.5
281.18857	2.5
281.23523	2.1
286.19293	5.5
287.19968	10.7
299.20123	6.8
303.19501	6.5
309.18637	2.6
347.23608	4.6
365.24734	14.6
383.25772	92.2
384.26196	3.1
397.29767	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	383.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78639	5.5
53.03944	10.0
54.65305	5.9
55.01872	15.0
55.05507	27.5
57.03435	39.2
65.03958	9.2
67.05509	98.4
69.03424	43.3
69.07059	21.7
70.33062	12.0
70.33456	15.5
71.05003	16.9
73.73484	6.8
78.83852	6.4
79.05492	89.9
81.07059	62.7
83.04989	7.7
83.08617	22.6
91.05481	75.7
92.62701	6.2
93.07048	62.8
95.04968	20.7
95.08621	42.9
97.06554	12.2
97.10220	6.9
99.08138	7.7
105.07039	58.7
107.04957	100.0
107.08577	38.7
109.06505	34.5
109.10171	57.6
111.08078	8.0
117.07019	27.2
119.08593	41.7
121.06516	19.4
121.10176	21.4
123.08086	9.9
129.07007	27.1
131.08549	45.3
133.06509	15.1
133.10132	22.4
135.08060	20.4
135.11678	10.6
143.08548	14.4
145.10123	30.8
147.08058	17.7
149.09616	9.3
150.17091	7.6
151.07581	8.5
157.10136	17.5
159.08087	8.0
159.11690	15.0
161.09596	11.7
161.13300	8.7
171.11665	15.5
173.11885	6.5
175.11160	11.8
185.13261	8.8
187.14835	19.8
189.12883	9.7
201.12805	8.3
205.15903	18.4
217.15945	12.3
221.15320	8.4
245.19016	11.8
249.14835	14.2
255.17642	7.4
273.18469	61.7
291.19632	42.1
365.23163	26.6
383.24234	22.2
384.31131	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	383.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.0
55.01843	2.2
55.05508	9.3
57.03439	18.5
65.03937	1.9
67.05173	2.1
67.05507	32.1
69.03419	2.7
69.07067	100.0
69.95341	8.8
71.04993	55.3
72.29826	1.6
73.02908	4.6
79.05494	33.9
81.03387	2.1
81.07053	26.7
83.04955	4.9
83.08604	4.9
85.06530	3.2
91.05479	24.6
93.07053	21.0
93.85484	1.6
95.04961	10.7
95.08606	17.0
97.06538	38.6
97.10126	2.9
99.08099	14.2
105.07030	16.8
107.04974	6.9
107.08586	10.5
109.06519	8.8
109.10163	10.4
111.08051	2.8
111.83321	1.9
113.05978	2.9
115.07566	75.9
117.06991	7.3
119.08569	11.7
121.06495	2.9
121.10145	6.3
123.08048	3.4
127.07581	3.8
128.06218	1.6
129.05487	1.8
129.06975	4.0
131.08582	9.6
133.06474	2.5
133.10094	6.0
135.08058	2.1
135.11688	3.4
137.09560	1.9
141.06976	2.2
143.08513	5.5
145.10124	6.4
147.08022	3.7
147.11684	5.6
149.09619	3.4
149.13174	1.5
151.11287	1.5
155.08534	1.6
157.10110	4.4
158.90433	1.4
159.11699	6.7
161.09621	4.0
161.13226	3.7
163.11150	2.3
171.11647	3.8
173.11679	2.6
173.13145	1.9
175.11160	3.3
177.12679	1.6
185.13264	1.7
187.10980	1.8
189.12762	1.5
207.13948	1.9
217.15836	5.5
219.13757	2.5
221.15424	2.3
227.17949	2.5
235.16902	3.3
245.18875	2.2
263.20065	2.1
273.18463	14.8
281.17429	8.5
291.19522	13.8
297.16861	2.2
365.23361	5.3
383.24377	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	383.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.7
55.01856	6.9
55.05297	1.6
55.05508	17.8
56.96558	3.6
57.03182	2.1
57.03433	28.4
57.07063	3.5
59.04985	4.2
61.02922	1.9
65.03935	4.3
67.05498	100.0
69.03413	4.7
69.07059	19.3
70.04041	2.2
70.06563	4.9
70.95341	4.2
71.04998	9.4
72.93770	4.6
73.02901	4.4
79.05064	1.8
79.05486	25.5
81.03413	7.9
81.07050	39.3
83.04945	5.0
83.08615	8.9
85.02875	4.2
85.06532	26.8
90.94818	3.0
91.03951	2.6
91.05470	31.6
93.07038	23.5
95.04961	40.8
95.08594	20.1
97.02863	3.2
97.06502	12.4
97.10153	2.7
99.08076	5.9
105.07022	21.1
107.04945	18.7
107.08576	19.9
108.95899	1.9
109.06511	44.3
109.10147	49.0
110.10424	2.2
111.04426	3.0
111.08062	3.7
113.05995	52.8
115.07562	9.1
116.98600	1.7
117.07001	14.6
119.08585	14.5
121.06476	8.0
121.10113	7.1
123.08052	3.0
123.11671	1.8
125.09607	2.5
128.06267	2.3
128.35526	1.6
129.06982	6.0
131.00046	1.7
131.07022	2.2
131.08546	12.7
133.06508	2.6
133.10094	9.7
135.08031	29.7
135.11693	7.3
137.09650	4.9
143.08534	6.4
145.06587	2.1
145.10126	9.5
147.08038	3.5
147.11638	3.3
149.01184	2.3
149.09631	4.2
149.13222	5.3
151.02106	2.3
151.11130	2.0
155.08543	2.4
155.10597	2.5
156.99406	1.8
157.10098	6.1
159.08092	2.6
159.11632	5.6
161.09608	8.2
161.13332	2.3
163.11209	2.7
169.10110	2.9
171.11653	3.5
173.09599	2.4
173.11774	17.0
173.13206	2.4
175.11137	2.9
177.12767	2.7
183.11568	2.3
185.13240	1.7
187.11229	1.9
192.99405	1.6
195.11736	1.7
195.13774	1.8
199.11076	2.0
199.14717	3.1
201.12657	1.6
217.15897	10.6
219.01758	1.8
219.13768	1.8
229.07413	2.3
237.16373	1.7
245.04732	3.6
245.18895	1.6
247.08575	2.3
255.17404	3.8
267.06741	10.1
273.18481	24.9
285.07709	7.4
291.19501	38.6
302.14059	1.9
307.09882	3.8
308.09662	2.5
321.11432	2.6
347.13025	5.4
347.21848	1.9
365.14127	3.8
365.23126	9.8
383.16577	1.8
383.24365	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74396	0.5
53.03937	1.1
55.01862	6.4
55.05507	8.2
56.96558	0.8
57.03436	4.0
57.07064	2.4
59.04999	0.9
60.30261	0.6
65.03922	1.5
65.31822	0.6
67.05495	27.3
69.03420	1.0
69.07055	6.6
69.37252	4.5
69.37663	1.5
70.04062	0.6
71.04982	2.0
79.05484	7.7
81.07049	33.1
83.04968	2.4
83.08603	3.0
85.06532	1.6
89.92387	0.6
91.05467	6.0
93.07040	7.4
95.04972	1.1
95.08598	8.2
97.06490	1.6
105.07023	4.3
107.04980	1.5
107.08585	7.1
109.06509	10.4
109.10142	23.6
110.82301	0.7
111.03693	1.1
111.04433	16.7
111.08075	2.3
113.06017	1.1
117.06998	1.4
119.08572	7.3
120.52338	0.6
121.06479	0.6
121.10156	4.7
123.08070	1.6
123.11684	2.4
125.05962	7.0
125.09637	1.1
129.07022	0.9
131.08551	2.3
133.10107	5.3
135.08044	3.3
135.11670	3.6
137.05963	100.0
137.09607	1.7
137.13213	1.8
138.06274	1.0
139.07521	1.0
141.06905	0.7
143.08548	1.8
145.10156	3.2
147.07948	1.3
147.11676	6.0
149.09587	5.1
149.13217	1.6
151.07553	2.5
151.11234	0.7
155.10634	1.0
157.10123	2.0
159.11641	1.5
161.09596	5.9
161.13260	2.3
163.11171	4.0
163.14561	0.6
165.09142	2.5
165.12758	0.6
167.10660	1.0
171.11681	2.1
173.11783	6.5
173.13182	1.3
175.11128	5.0
175.14804	1.4
177.12735	1.2
179.10681	1.8
183.11760	0.7
185.13225	1.1
189.12778	1.0
193.12242	2.6
203.17886	5.9
205.19446	0.8
207.13701	0.9
213.16402	2.8
221.19066	2.3
231.17427	10.3
241.15854	2.0
249.18477	13.2
267.06964	0.7
277.17969	58.8
278.18237	1.7
295.19003	22.0
295.22330	1.1
351.21561	4.2
377.11337	0.6
382.44571	0.7
383.24335	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	383.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.1
55.01862	7.9
55.05516	13.4
57.03443	18.5
65.03931	3.3
67.05505	31.9
69.03417	2.8
69.07071	21.6
70.23351	4.5
70.23746	4.6
71.04983	11.2
72.01361	1.7
72.93787	2.3
73.02916	2.4
79.05492	54.8
81.03422	12.6
81.07056	100.0
83.04977	8.3
83.08613	5.8
85.06528	4.5
91.05479	26.5
93.07045	29.9
95.01307	4.0
95.04967	15.7
95.08618	20.2
97.06542	18.8
97.10181	2.9
99.08096	6.4
105.07047	19.8
107.04958	21.2
107.08589	12.4
109.05788	4.3
109.06518	61.8
109.10140	6.1
111.08064	3.4
113.06013	2.9
115.07577	17.1
116.76948	1.9
117.07031	13.5
119.08601	10.4
121.06481	6.0
121.10110	10.8
123.08064	9.1
125.09628	4.3
128.06209	4.7
128.07133	1.9
129.07016	6.4
131.08568	12.4
133.06487	3.1
133.10078	9.4
135.08069	15.5
135.11697	6.9
141.07050	2.6
143.08553	7.0
145.06570	3.6
145.10088	11.0
147.08052	6.4
147.11700	4.5
149.09595	2.9
149.13271	4.5
151.11168	2.6
155.08665	2.1
157.10114	3.4
159.08067	3.9
159.11656	5.1
161.09631	9.1
171.11671	2.9
175.11143	2.7
177.12758	8.4
187.11206	5.2
189.11281	4.7
199.11256	4.1
201.12686	3.9
217.15871	7.4
227.18158	2.7
237.16357	2.3
245.18983	5.2
255.17430	4.2
273.18500	57.8
291.19547	11.0
297.16931	2.6
347.22073	4.4
365.23251	31.5
383.24289	8.7
384.18893	2.2
386.76740	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	383.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	9.7
54.91493	2.5
55.01873	20.7
55.05510	32.6
55.93520	4.3
56.94298	8.7
56.96558	3.1
57.03432	31.2
65.03929	4.8
67.05499	70.9
69.03426	9.6
69.07064	26.5
70.72418	5.7
70.72789	6.3
70.95856	10.4
71.04995	13.5
71.93011	3.1
72.93787	27.0
77.11988	2.6
79.05064	4.8
79.05487	67.6
81.03404	31.9
81.06582	6.0
81.07053	95.9
82.38132	2.6
83.04987	20.7
83.08610	19.2
85.02897	6.0
85.06535	4.4
88.96888	4.4
90.94808	18.1
91.05482	48.0
93.07042	56.5
95.01343	5.3
95.04963	30.9
95.08601	39.1
97.06529	17.0
97.10153	21.1
99.08089	9.4
105.07022	33.0
107.04950	31.7
107.08590	29.2
108.95840	8.1
109.06509	48.7
109.10148	13.9
111.04445	6.0
111.08066	9.3
113.05997	6.0
115.05461	2.8
117.07014	18.2
119.08594	25.7
121.06487	10.7
121.10149	18.8
123.04396	4.4
123.08051	23.8
123.11769	3.5
125.09631	19.6
126.98396	3.9
128.06242	3.7
128.96323	4.4
129.07004	11.4
130.97859	4.2
131.04898	3.4
131.08568	24.0
132.95815	2.8
133.06506	5.7
133.10110	13.4
134.97383	4.6
135.08055	28.1
135.11681	8.0
137.09610	6.4
138.98300	3.3
139.11163	3.2
141.07072	2.9
143.08539	11.8
144.99464	8.6
145.10091	15.2
146.97382	8.2
147.08057	8.4
147.11668	13.5
148.97853	2.8
148.98935	6.8
149.09615	13.3
149.13269	12.6
150.96834	3.8
151.02058	5.2
154.97881	3.1
155.76360	3.3
156.99507	3.4
157.10124	12.2
159.07997	6.7
159.11665	11.3
160.14441	2.7
161.09598	12.9
161.13228	5.4
162.96831	5.5
163.11159	11.8
164.99963	4.9
165.03635	6.0
165.09120	8.1
165.12801	2.8
165.92822	3.3
166.97902	5.6
169.10176	3.5
171.11676	7.0
172.98950	4.9
173.09554	2.9
173.13179	4.5
175.11160	8.3
177.12753	11.7
183.11595	3.5
185.13173	3.6
186.01225	3.1
187.00664	3.8
187.11124	5.7
189.03630	5.3
189.11293	18.1
191.00127	4.1
192.99455	4.2
193.12254	10.6
195.13800	3.8
196.00658	2.8
199.14822	4.7
201.03600	9.1
211.13258	3.6
217.15909	12.7
219.13618	4.4
221.15358	5.3
223.13248	3.9
227.03633	5.4
227.12633	3.2
229.05226	22.0
237.05725	4.0
241.05171	4.4
245.04716	3.6
245.18875	4.0
249.05788	4.0
255.06770	7.5
255.17424	7.7
257.08322	8.7
265.05078	3.0
267.06769	100.0
268.07108	4.3
269.17343	5.3
271.06177	3.9
273.18488	59.9
283.06229	3.2
285.07837	75.1
290.08423	2.8
291.19543	43.8
307.00436	3.0
308.09464	10.4
347.12933	20.0
347.22141	7.7
365.13983	17.1
365.23151	33.7
383.15497	5.3
383.24341	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	383.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	11.9
53.91246	2.8
55.01872	13.5
55.05511	59.3
56.96566	10.0
57.03433	37.2
64.67774	2.7
67.05504	78.0
69.03425	9.9
69.07071	29.0
69.46690	19.9
69.47103	7.6
69.85538	2.9
70.06590	7.4
71.04993	11.3
72.00255	2.7
72.08147	3.6
79.05491	75.5
79.13517	2.9
81.03407	40.2
81.07052	100.0
83.04965	18.2
83.08614	29.0
85.02907	16.9
85.06573	7.5
91.05482	50.7
92.80551	2.5
93.07041	61.7
95.01301	3.0
95.04960	34.0
95.08607	41.8
96.08910	3.7
97.02882	3.1
97.06518	11.2
97.10162	26.1
98.21471	4.8
99.08090	8.4
103.05476	4.3
105.04514	3.4
105.07033	40.0
107.04964	30.0
107.08585	33.9
109.06503	35.3
109.10165	17.9
111.04456	5.3
111.08081	10.1
113.06014	9.0
115.05441	5.4
117.06995	18.2
119.08581	30.1
121.06508	11.1
121.10141	20.5
123.08062	37.2
123.72308	2.8
125.09633	23.4
129.07004	10.7
129.10181	3.6
131.04932	7.2
131.08606	27.5
133.06522	8.9
133.10138	23.1
135.08029	15.8
135.11700	11.4
137.09607	11.9
138.09982	3.3
139.11244	4.3
141.06937	3.2
142.07698	4.8
143.08566	10.3
144.58908	2.9
145.06506	4.9
145.10133	16.4
147.08054	13.2
147.11671	15.0
149.09627	11.1
149.13252	7.1
151.11194	4.6
153.09135	4.5
157.10126	15.0
159.08063	7.9
159.11688	13.2
161.09639	11.3
161.13298	4.4
163.11176	19.2
165.09091	5.6
169.10014	5.1
171.10196	5.0
171.11574	5.8
173.13226	6.0
175.11224	14.1
177.12755	9.8
181.12265	6.3
184.14987	2.9
185.13287	4.6
189.11230	28.2
193.12239	39.8
199.14877	3.8
201.12605	3.8
209.11462	3.0
211.13239	21.6
217.15944	8.2
221.15396	3.6
223.13292	8.4
227.17969	4.2
235.16885	3.2
243.08051	2.7
245.19148	6.6
255.17430	7.1
273.18491	56.9
285.16873	4.5
291.19519	67.2
309.20459	4.2
323.11786	3.8
347.22220	5.9
365.16446	4.5
365.23257	28.3
383.16718	6.1
383.24237	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	6.5
55.05518	9.9
56.96574	2.8
57.03432	4.6
57.07068	2.0
65.03953	2.6
66.63866	2.0
67.05505	53.2
69.07070	12.9
71.58891	2.6
72.08164	3.0
76.60299	1.9
79.05489	14.0
79.61705	2.2
81.07059	36.1
83.04983	2.8
83.08609	5.8
91.05469	12.6
93.07025	8.9
95.04949	3.9
95.08604	15.0
97.06543	2.5
105.07029	6.6
107.08609	9.6
109.06532	11.6
109.10159	29.5
111.04452	21.3
111.08070	4.1
117.07056	2.3
119.08577	11.1
121.10149	8.0
123.08057	4.0
125.06009	5.3
131.08521	3.1
133.10124	9.1
135.08058	3.5
135.11807	4.3
137.05981	100.0
137.09642	2.5
137.13358	2.3
147.07968	4.3
147.11681	4.5
149.09641	5.1
155.10588	2.7
157.10132	2.6
159.11601	2.5
161.09659	6.9
161.13271	2.1
165.09160	2.3
173.11728	5.9
175.11180	3.4
177.12697	2.6
179.10698	3.5
193.12173	2.8
195.15831	2.7
197.13318	2.5
203.17990	5.6
213.16460	4.6
231.17415	11.8
249.18515	13.3
277.17984	54.5
291.19580	3.0
295.19028	18.6
383.24496	16.2
401.22064	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.7
55.01867	6.0
55.05513	16.1
56.96550	5.1
57.03433	18.0
57.07071	23.4
59.05000	4.0
65.03933	5.7
67.05501	100.0
68.58468	1.7
69.03416	4.8
69.07064	74.9
70.04076	13.8
70.07392	7.9
70.07830	4.3
70.95851	3.3
71.04980	5.6
71.33804	3.2
72.93768	3.5
73.02895	2.0
79.05486	23.6
81.03407	4.0
81.07058	38.3
83.04980	4.6
83.08627	8.5
85.02897	3.1
85.06535	18.6
89.01570	4.1
90.94851	3.7
91.01263	1.7
91.05475	51.7
93.07048	18.3
95.04362	2.9
95.04959	36.8
95.08607	16.0
97.02885	4.6
97.06499	3.5
105.07027	14.6
107.04955	14.9
107.08577	12.5
109.06507	35.7
109.10148	61.4
110.07094	1.9
110.21702	2.0
111.04411	3.7
111.08070	3.0
113.01531	2.7
113.06002	46.3
115.07549	5.2
115.62593	1.6
117.07005	8.8
119.08569	12.6
121.06506	5.1
121.10122	7.0
121.55007	1.5
123.08057	4.3
125.06081	2.3
125.09663	2.7
126.98348	1.7
126.99460	5.5
128.06281	2.2
129.01027	10.3
129.06984	5.1
130.01343	1.7
131.00757	3.9
131.08582	12.3
132.17973	1.7
133.06471	2.4
133.10136	8.9
135.08032	25.6
135.11649	3.8
137.05980	16.3
137.09616	4.2
141.01012	9.2
142.01323	2.8
143.00775	3.5
143.08568	5.3
145.10139	8.5
147.08040	5.3
147.11650	4.2
149.09576	4.6
149.13191	2.2
151.11201	2.6
155.02576	4.2
155.10634	3.3
157.10133	6.1
157.33969	1.7
159.08043	2.2
159.11690	2.4
161.09595	7.5
163.11140	3.3
171.05711	2.4
171.11641	4.7
173.09532	2.0
173.11732	21.0
173.13171	3.0
175.11198	4.0
189.11115	2.0
197.07265	21.6
198.04321	1.9
198.07610	6.9
199.06967	10.9
201.12685	2.1
217.15884	6.1
227.03699	2.1
245.04683	4.5
249.18442	3.0
255.11209	2.6
259.06042	1.6
267.06729	5.6
273.18460	18.6
277.17966	12.2
285.07697	6.4
291.19525	30.8
295.18771	3.4
347.12875	3.9
362.28033	1.6
363.16571	1.8
365.13889	3.0
365.23239	7.9
383.11203	23.3
383.19962	7.7
383.24203	25.3
384.10443	27.3
384.14835	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	383.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	11.3
55.01876	15.0
55.05505	31.4
56.96547	10.8
57.03430	27.3
57.07076	7.7
59.95400	5.4
61.02912	10.0
67.05499	53.4
69.03423	47.4
69.07056	20.6
70.06586	8.0
71.01344	15.7
71.04990	55.1
71.18993	11.6
73.02900	11.9
79.05482	58.4
81.03409	43.5
81.07053	100.0
83.04968	20.1
83.08612	11.2
85.02893	56.5
85.06505	5.7
87.04481	5.9
91.05479	52.0
93.07037	89.3
95.04967	33.5
95.08598	81.0
97.02879	34.0
97.06525	17.8
97.10152	11.4
99.04434	14.4
99.08102	6.7
103.03929	12.6
105.07017	83.6
107.04948	98.2
107.08591	79.1
108.05275	9.3
109.06493	18.8
109.10155	57.6
111.04429	14.7
111.08090	9.9
115.03900	8.2
117.07014	20.4
119.08574	92.0
121.06487	19.2
121.10134	59.0
123.04425	11.3
123.08042	21.4
123.11707	26.9
125.09599	15.0
127.03925	10.8
127.11200	31.9
129.07008	15.2
131.03419	5.5
131.08563	44.6
133.10101	57.5
135.08038	14.0
135.11678	36.1
137.09598	16.6
137.11555	5.5
137.13235	5.9
139.07526	8.4
143.08569	27.8
145.10097	51.8
147.08064	12.6
147.11668	53.5
149.09595	17.2
149.13264	18.7
151.07513	7.8
151.11133	7.3
151.87006	5.4
153.12694	12.6
154.81601	6.0
155.08589	7.3
155.50043	6.2
157.10123	36.3
159.08105	7.3
159.11681	64.1
161.13251	18.7
163.11203	7.9
163.14723	6.5
165.12773	7.8
169.10197	10.6
171.07993	6.5
171.11679	27.1
173.09506	5.5
173.13257	18.8
175.11188	11.9
175.14778	10.0
177.12704	12.0
181.10176	6.0
183.11670	14.0
185.13211	21.2
187.14777	14.1
189.09137	7.4
189.12721	13.8
189.16347	27.8
191.14273	8.3
195.11620	7.5
197.13304	11.5
199.06529	6.4
199.14662	6.4
201.12714	9.8
201.16357	22.7
203.17909	24.5
213.12721	8.4
213.16385	11.2
215.17900	9.2
217.10660	11.7
217.15799	7.3
219.17589	8.9
221.19011	6.4
225.12825	6.8
229.07449	8.0
231.09116	6.0
233.15147	5.8
233.19043	10.8
241.15886	9.0
243.17513	7.7
245.19128	10.1
247.08415	9.5
255.09056	12.8
261.14951	8.7
263.20056	7.8
265.19815	7.1
273.09854	8.1
273.18579	6.6
287.11502	7.3
287.19867	6.9
290.64636	5.6
291.19614	7.6
311.19989	14.3
329.21045	16.2
338.90027	6.2
339.23401	15.0
346.71536	4.9
347.22116	20.2
365.23114	21.6
383.17133	32.5
383.24155	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	3.0
53.03934	4.7
54.41294	2.7
55.01875	15.0
55.05503	22.3
57.03433	19.9
57.07070	7.4
58.53359	2.5
59.04991	2.6
61.02927	12.6
65.03938	4.2
67.05495	36.0
69.03427	35.1
69.07062	24.3
70.06591	4.9
71.01336	8.6
71.04985	46.5
71.59908	4.1
73.02905	11.0
79.05482	39.0
81.03400	19.0
81.07049	100.0
83.04974	11.2
83.08613	12.8
85.02899	43.7
85.06530	4.9
87.04445	4.2
91.05468	34.6
93.06461	4.4
93.07034	71.1
95.04946	20.2
95.08595	74.5
97.02872	27.9
97.06524	11.1
97.10155	9.4
98.76221	3.1
99.04457	8.1
99.08058	6.1
100.11239	7.3
103.03925	13.6
103.05464	4.3
105.07021	72.4
107.04956	13.4
107.08582	70.8
107.09284	5.0
109.02896	3.8
109.06485	15.3
109.10144	58.4
111.04405	12.5
111.08086	6.3
113.06027	2.7
113.09646	3.6
115.03921	9.9
117.06992	16.6
119.04932	2.7
119.08569	82.8
121.06509	10.7
121.10131	53.5
123.04396	6.9
123.08104	15.4
123.11699	31.7
125.09660	12.1
127.03907	7.3
127.11170	22.1
128.06189	6.4
129.05458	5.2
129.06995	9.8
131.08551	29.1
133.04962	11.3
133.06429	2.8
133.10120	42.8
135.08063	8.4
135.11676	43.3
137.05937	3.9
137.09608	15.9
137.13321	4.5
139.07544	4.3
139.11153	3.4
141.06960	4.2
142.07756	10.0
143.08565	18.3
144.09328	5.3
145.04919	5.7
145.06503	6.5
145.10114	45.2
147.08058	14.2
147.11688	44.2
149.09608	8.9
149.13235	18.4
151.11156	13.7
152.05605	3.4
153.12743	13.3
155.08565	8.7
156.09319	7.2
157.10117	39.0
159.08084	7.4
159.11687	59.8
161.09666	3.9
161.13237	21.8
163.11206	11.5
163.14825	6.5
165.06934	2.6
165.09163	3.1
165.12753	4.4
166.07639	3.5
167.08510	3.1
167.10669	2.8
169.10135	15.1
171.08018	4.5
171.11687	31.7
173.09621	5.7
173.13208	17.1
175.07419	3.1
175.11197	9.1
175.14828	10.7
177.09119	5.0
177.12744	8.8
177.16373	6.2
179.10544	4.1
181.10126	6.1
183.11664	11.0
185.09521	3.7
185.13260	11.2
187.11156	4.4
187.14828	6.9
189.09102	4.2
189.12753	8.6
189.16434	13.2
191.14285	4.1
193.10120	3.3
193.15932	6.3
195.11723	7.2
195.17300	2.7
197.13210	12.4
199.11172	5.0
199.14795	6.8
201.12767	7.5
201.16397	10.2
203.17969	22.0
205.15654	2.8
207.10040	4.0
207.11749	5.1
207.17490	3.8
209.13321	3.2
213.12737	10.9
213.16321	5.6
215.14316	4.0
215.17899	5.5
217.15854	3.5
217.19279	3.1
219.17490	9.5
221.19023	10.4
223.14778	3.8
225.12732	7.7
225.16342	3.4
227.17935	9.5
229.19321	2.9
231.17438	8.6
233.19025	20.9
239.18004	2.9
241.15784	3.7
243.13805	9.1
243.17448	7.4
245.19020	13.0
257.19006	6.0
261.14902	8.0
261.18610	3.2
263.20099	6.8
269.18909	7.2
273.18491	7.2
275.20013	4.5
279.15906	3.7
287.19952	4.2
288.97629	2.6
291.19565	5.0
299.20087	6.0
305.21216	4.0
311.20184	13.1
317.21158	4.5
329.21048	17.0
341.40625	2.8
347.22232	17.3
365.23129	21.4
372.73267	2.9
383.20093	3.1
383.24286	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55260	0.7
51.33382	0.7
55.01854	0.8
55.05502	2.8
55.68427	0.6
56.05021	1.4
56.96550	2.6
57.03421	2.0
57.04161	0.7
57.07073	0.8
59.06114	0.6
61.02905	1.3
66.56538	0.6
67.05502	4.9
68.05012	0.9
69.03427	1.0
69.07059	2.0
70.06581	2.7
71.04964	1.0
72.08136	1.1
79.05494	5.1
80.05008	1.2
81.03409	2.7
81.07040	7.2
82.06568	1.8
83.08611	1.7
84.08143	1.5
85.02892	2.0
86.06067	2.5
88.03984	1.0
88.07556	0.8
91.03932	1.2
91.05450	4.0
93.07032	6.6
94.06564	2.2
95.04925	1.4
95.08605	4.0
96.08125	1.9
97.02904	1.1
97.06497	1.3
97.10151	0.9
98.06023	1.4
98.09705	0.9
98.11404	0.8
98.97568	1.0
100.11284	0.8
105.07023	1.9
107.04940	4.8
107.08591	5.5
108.08102	2.6
109.06515	0.7
109.10134	1.1
110.07140	1.0
110.09671	4.3
111.08038	0.7
114.05513	8.6
115.05424	1.2
116.07063	3.3
117.07018	3.8
118.05679	1.6
118.06534	31.6
119.08572	1.7
120.08089	0.8
121.06508	4.2
121.10125	2.0
122.09662	2.3
123.10409	2.0
124.11252	0.8
125.09636	1.1
129.07010	1.2
129.26035	0.7
129.82542	0.7
130.06517	12.5
131.00157	0.7
131.08562	1.3
133.10118	1.4
134.99608	0.7
135.11668	3.1
138.05508	1.9
138.80397	0.8
142.06517	2.9
143.07288	3.5
144.08064	18.6
146.05998	80.8
147.06310	0.9
149.01131	0.9
150.12798	3.5
152.14330	95.4
153.14722	1.1
154.15889	1.9
160.07602	1.1
163.03938	1.5
164.14330	1.8
165.07834	1.7
167.29758	0.7
170.05991	6.1
171.11601	0.9
180.10136	0.7
184.11197	2.4
188.07050	61.7
189.07349	1.3
192.45566	0.7
196.16953	53.0
197.17175	1.1
199.06503	0.9
208.13306	3.6
210.14861	14.1
215.08130	1.2
217.07426	1.2
229.07440	3.5
233.11639	0.8
243.08957	0.9
247.08546	2.7
252.15916	1.3
254.15016	1.6
254.17514	20.8
254.20212	1.1
273.18503	2.1
275.22903	0.8
285.10251	0.9
291.19550	1.7
293.13605	1.6
302.13596	1.9
338.20331	0.9
339.20639	41.9
340.21063	1.7
365.15897	1.0
365.22772	1.8
382.30527	0.7
382.89911	0.8
383.17636	5.2
383.23242	100.0
384.23480	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	383.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.5
55.01882	0.6
55.05509	2.4
56.96553	0.8
57.03424	1.8
57.07067	0.4
61.02911	1.1
67.05502	12.7
68.05025	0.6
69.03417	1.2
69.07054	3.0
70.06586	0.8
71.04976	0.7
71.59968	0.6
72.04491	1.2
72.08153	0.5
72.93775	0.5
73.02913	0.6
79.05474	4.0
81.03391	0.9
81.07053	6.8
81.67554	0.4
83.08604	1.8
85.02875	0.9
85.06511	0.7
88.03970	0.5
91.05486	3.3
93.07031	3.4
94.06583	0.9
95.04945	1.3
95.08605	9.5
95.73627	0.4
97.02884	1.0
97.06509	0.8
97.10163	0.7
98.97578	0.6
105.07040	2.9
107.04946	2.4
107.08586	2.8
109.06528	1.1
109.10150	8.8
110.07096	0.4
110.09690	1.0
113.06007	0.7
116.98595	0.7
117.07002	0.9
118.06558	3.3
119.08556	2.6
120.08112	0.5
121.06500	1.0
121.10125	1.3
123.08051	0.6
127.03913	0.5
129.06964	0.6
130.05002	1.0
130.06526	9.8
130.61462	0.5
131.00131	0.6
131.08569	1.1
132.08063	1.9
133.10115	3.6
134.99646	0.5
135.11688	1.4
137.09554	0.4
140.17711	0.5
144.08081	5.5
145.10100	0.6
146.04810	0.6
146.05995	11.0
146.07080	0.8
147.08046	0.5
147.11600	0.7
149.01265	0.7
149.09567	0.4
149.13124	0.5
150.12778	1.4
151.14780	1.4
152.14304	0.8
155.10596	0.6
155.14464	0.5
158.06018	1.5
159.09198	1.0
159.11674	0.7
160.07555	1.3
161.13268	1.4
166.93112	0.4
168.07961	0.6
169.07605	1.9
170.06038	0.9
173.11679	1.4
178.15930	2.0
184.07547	0.5
186.09167	1.6
187.08656	2.2
188.07065	8.2
196.17015	1.2
198.14825	0.5
206.15369	0.8
210.09094	0.7
215.08186	1.3
226.12317	1.9
229.07494	0.6
230.43098	0.4
236.16576	0.8
237.02850	0.7
254.17381	0.6
259.10910	0.7
273.18460	0.7
291.19449	0.7
294.18524	1.3
300.81180	0.5
329.49026	0.5
337.22711	10.5
341.12839	0.8
365.22906	0.6
370.67032	0.4
374.15601	0.5
383.23276	100.0
384.23608	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	383.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.05508	3.5
56.05038	1.3
56.96556	2.5
57.03428	2.0
67.05502	7.4
68.05022	0.9
68.50955	0.7
69.03439	1.0
69.07058	2.3
69.69222	0.6
70.06586	1.1
71.04983	1.1
71.19430	1.5
72.08112	0.9
72.93773	1.7
73.02927	0.9
79.05476	5.5
80.05006	4.9
81.03407	1.7
81.07035	5.7
82.06571	2.2
83.04971	1.3
83.08620	1.5
85.02898	1.7
86.06057	2.5
87.04445	0.8
88.03960	1.3
91.05483	6.4
93.07040	8.3
94.06577	1.4
95.04969	2.0
95.08596	3.7
96.08147	1.8
97.02888	1.0
97.06522	1.0
97.10150	1.8
98.06046	11.2
105.06998	3.9
106.95036	0.6
107.04948	4.3
107.08588	2.9
108.08092	2.6
109.06505	1.3
109.08887	1.1
109.10168	3.5
109.29725	0.7
110.09666	5.4
111.08085	1.0
114.05537	3.6
115.05377	1.5
116.07120	1.1
116.98506	1.1
117.07008	4.8
118.06537	36.0
119.08598	2.6
121.06468	1.4
121.10130	1.9
122.09656	2.0
123.08034	1.0
123.10407	0.8
124.07503	0.8
124.11239	1.4
127.03915	0.9
130.06520	11.7
131.08540	1.4
132.08118	1.1
133.10118	2.0
135.08078	1.2
135.11693	3.4
138.05492	2.7
138.09094	0.8
138.12859	0.7
142.06523	3.5
143.07387	3.5
143.08380	0.9
144.06984	1.5
144.08083	24.3
145.06471	1.8
146.06000	100.0
147.06367	1.1
147.11693	1.2
149.09613	1.1
150.12804	4.2
151.13580	0.7
152.14333	91.9
153.14671	1.1
154.08649	1.2
155.06119	0.7
156.08057	1.4
158.97554	1.7
160.07637	1.0
161.09683	0.9
164.14351	2.0
165.07857	2.2
166.08694	1.5
170.06017	8.2
173.11671	0.7
178.15854	3.4
181.12296	0.9
184.11174	1.8
188.07056	79.3
189.07401	1.8
193.12180	1.0
196.16960	44.5
205.12248	2.7
208.13312	4.1
210.14865	11.8
234.98973	1.6
241.07430	1.0
241.09650	1.2
254.17485	15.1
259.08432	1.5
267.08881	1.5
267.11359	2.4
269.13242	1.0
273.18469	0.9
285.09973	1.4
286.10526	1.0
291.19632	1.3
302.13940	1.1
321.11472	2.3
339.20670	46.7
340.20941	1.3
365.23178	1.0
370.27911	0.7
383.23251	95.4
384.23776	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
55.05505	5.2
55.65462	0.7
56.05021	1.6
56.96551	3.7
57.03423	2.6
57.07078	1.4
61.87276	0.7
62.63034	0.7
64.12852	0.8
67.05508	6.4
68.05035	1.2
69.03413	1.4
69.07053	3.6
70.06586	1.7
70.08150	2.0
70.08550	2.5
71.04984	1.2
72.08162	1.1
73.02940	1.0
74.85972	0.8
79.05479	5.9
80.04988	1.7
81.03405	3.1
81.07061	5.6
81.85823	0.7
82.06580	2.4
83.04957	1.1
83.08609	3.1
84.08137	1.3
85.02885	2.1
86.06073	1.5
87.32070	0.8
91.05489	4.9
93.07057	5.9
95.04957	1.5
95.07365	0.8
95.08605	4.3
96.08120	1.6
97.02897	0.8
97.06544	1.5
98.06075	1.1
98.09683	0.9
98.20822	1.1
98.97581	1.2
100.11250	1.9
105.07027	3.0
107.04945	3.2
107.08582	5.2
108.08109	3.4
109.06475	1.1
109.08941	1.0
109.10155	3.4
110.09668	3.4
111.08078	1.1
114.05506	2.6
115.05418	1.3
116.07059	1.7
117.06999	4.0
118.06538	38.0
119.08561	2.1
120.08109	0.9
121.06474	1.5
121.10115	2.5
122.09647	2.1
123.11732	1.5
129.06976	1.9
130.06531	8.8
131.08563	1.3
132.08119	1.0
133.10130	1.6
135.11693	2.8
138.05478	1.0
142.06499	3.5
142.07535	0.9
142.85104	0.9
143.07300	3.4
143.08394	1.0
144.08073	20.6
145.10104	1.1
146.06003	82.8
147.06279	1.9
149.01144	0.9
149.02333	1.3
150.12712	4.4
152.14333	100.0
153.14667	1.9
154.15881	2.1
156.13802	1.2
157.14159	1.4
160.07564	1.1
164.14413	1.5
165.07904	1.5
169.07584	1.0
170.05963	5.9
173.11736	1.4
178.15968	1.8
182.15405	1.1
184.11238	2.3
184.13283	1.1
188.07060	68.3
193.04945	1.2
194.05205	1.6
196.16957	60.1
208.13329	4.4
210.14883	13.8
211.15236	0.9
252.15822	1.0
254.17519	10.3
259.08542	2.3
260.09134	1.3
267.09134	2.5
285.10104	3.6
291.19489	1.0
310.22351	1.0
311.21545	0.8
321.11462	8.1
339.20651	52.4
340.20981	2.2
365.23135	1.0
383.23282	84.2
384.23416	3.2
395.56177	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39929	1.1
54.30608	1.2
55.57735	1.3
56.05035	2.1
60.04513	2.1
69.07053	1.3
70.04041	4.3
70.04452	2.6
70.06590	20.1
72.08147	5.4
75.70691	1.2
84.04496	5.0
84.08144	11.5
85.02899	1.6
86.09708	6.0
87.05613	1.9
88.03982	2.4
91.05481	2.2
95.04170	1.2
95.06049	1.3
97.02887	1.4
98.06071	1.5
102.05531	1.9
107.04946	5.6
110.07149	6.0
112.08731	1.7
116.07061	2.3
120.08110	3.9
120.18436	1.2
129.10231	6.0
130.06517	1.5
136.07588	3.2
146.75473	1.4
177.03305	1.4
195.59599	1.3
226.05379	1.3
234.98930	1.7
237.64597	1.4
300.09592	1.5
311.27875	1.4
351.10507	2.4
351.16162	1.2
383.13110	100.0
384.13486	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76829	0.7
55.01839	1.0
55.05498	2.7
55.93521	7.0
56.94308	5.1
67.05508	7.0
69.03441	1.1
69.07072	2.0
70.95862	10.6
71.44405	1.2
71.44743	1.9
71.69975	0.9
71.93024	1.4
72.93387	1.6
72.93785	24.8
74.95364	1.5
79.05484	6.5
81.03419	3.6
81.07057	9.7
88.15627	1.0
88.96888	3.4
89.94048	1.2
90.94827	17.8
91.05468	4.5
93.07042	2.1
95.04991	1.2
95.08583	1.1
102.94785	1.6
105.07047	2.6
108.95867	6.1
109.10123	3.1
113.96479	1.3
116.96347	3.6
119.08587	1.4
126.98413	4.9
128.96335	6.4
130.97917	3.8
132.95793	1.2
134.97380	2.9
134.98912	1.8
136.95317	1.1
138.98431	3.7
142.97899	2.5
144.95853	4.7
144.99440	9.0
146.97354	5.7
146.98944	0.9
148.98970	5.4
149.00404	1.4
150.96883	3.2
150.98402	1.2
151.02032	4.2
152.96307	1.0
152.99991	1.4
154.97884	2.9
155.08533	1.1
155.98566	1.0
156.99492	3.8
158.97380	2.2
159.00998	3.0
160.98988	1.9
161.76889	0.9
162.96893	4.1
164.99928	5.8
165.03580	7.0
165.97165	1.4
166.97922	4.5
167.98785	1.1
168.99490	3.5
170.97424	3.3
171.01009	2.0
172.98975	3.9
175.00626	1.3
175.02057	1.6
176.98480	2.7
178.65045	1.0
178.97920	3.3
179.01596	1.6
180.99464	2.6
183.01042	2.2
183.98163	1.2
184.98982	3.8
185.02583	1.9
186.01295	3.4
187.00548	4.4
189.02025	1.9
189.03627	3.2
190.99988	2.4
192.99475	3.1
193.03157	1.5
195.01091	1.4
196.99002	1.4
199.00502	3.0
199.02090	2.4
200.02855	1.1
201.02121	1.2
201.03664	8.2
203.05156	1.0
207.01131	1.3
209.02614	1.7
211.04121	1.8
212.14893	0.9
213.01933	2.0
215.03574	1.4
219.04677	1.1
221.02663	1.1
225.02089	1.7
227.03596	3.2
229.05200	18.0
234.56337	1.0
237.05717	1.7
239.07405	2.2
241.05127	5.0
245.04724	3.3
247.06335	1.1
249.05742	2.3
251.03554	1.1
253.05127	1.5
255.06772	5.5
257.08307	10.1
259.06073	1.0
265.05139	4.8
267.06778	100.0
268.07184	1.9
271.06168	4.9
283.06302	3.3
285.07828	70.8
286.08142	2.3
293.12125	1.4
295.06055	1.5
296.07114	1.9
303.08597	1.2
308.09473	7.4
311.12894	1.5
313.07358	2.7
314.08057	1.8
326.43799	1.0
347.08630	1.3
347.13028	21.6
365.14117	26.6
366.14481	1.4
383.15170	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	383.127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39491	0.8
55.01867	1.8
55.05507	1.3
56.05025	3.2
58.99575	2.2
60.04513	0.7
60.05637	0.9
64.07915	0.7
66.43436	0.7
67.05505	1.6
69.03414	0.9
69.07078	1.6
70.06590	23.7
71.06927	1.1
71.58193	1.0
71.65855	0.6
72.08155	6.3
74.06077	0.9
76.02233	5.3
79.05497	5.5
81.03396	0.9
81.07060	0.7
82.06564	0.9
83.06126	0.9
84.04501	27.8
84.08139	8.3
86.06048	1.1
86.09706	10.3
86.99049	1.7
87.05584	0.7
87.10039	0.9
87.48013	0.8
91.05480	5.3
92.05775	0.8
93.07023	1.0
95.04948	2.0
95.06075	0.9
100.03146	0.7
102.05540	2.1
102.79250	0.7
103.05456	3.6
105.00061	3.6
105.07027	37.1
107.04932	4.3
107.08616	0.9
108.43829	0.6
109.06503	0.8
110.07173	6.4
114.03746	0.8
115.05447	1.3
116.07090	1.5
119.04946	1.6
120.08079	6.4
121.06511	5.7
122.02725	31.7
129.06520	0.8
129.10242	5.8
130.05008	14.1
131.05000	0.8
133.06491	100.0
134.06828	2.5
136.07599	4.7
137.07915	0.9
137.19482	0.8
142.03204	4.9
146.05997	4.2
160.15236	0.7
184.07330	1.4
188.03767	4.8
192.10233	1.3
193.10551	0.8
230.39508	0.7
233.05884	1.2
234.04294	5.0
237.12326	0.9
251.06972	40.8
252.07352	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.05510	0.4
67.05486	0.6
69.49709	2.6
69.50124	0.6
70.06581	1.3
71.10488	0.3
72.08125	0.3
77.03912	0.5
79.05461	1.0
81.07042	0.9
84.04520	0.4
84.15199	0.4
88.03984	1.0
91.05472	7.2
93.06461	0.7
93.07040	13.8
95.04964	2.8
97.06539	0.4
103.05463	7.2
105.04501	0.8
107.04956	1.6
118.41344	0.3
119.04936	0.3
119.08591	0.4
121.06498	100.0
121.10143	1.1
122.06830	2.1
131.08553	0.4
136.07596	0.5
137.06059	0.4
138.09102	0.5
138.12830	0.4
143.31779	0.4
145.10136	0.4
149.09566	0.4
166.12263	1.6
182.15401	1.4
184.13321	9.3
191.10687	0.4
202.14372	2.0
208.09647	1.4
208.13324	0.9
226.14334	1.8
244.15526	1.0
262.16510	3.2
263.12775	0.4
302.17386	0.7
304.19034	10.7
305.19281	0.4
320.18521	0.9
322.20102	7.5
346.20224	1.9
364.21143	4.3
382.22223	38.9
383.22437	1.7
395.03079	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.171
Annotation	Zeatin 9-glucoside
Peak:m/z	Relative Intensity
51.02587	3.9
51.68161	4.0
56.96555	10.7
58.52424	4.2
60.04513	12.9
63.06601	4.5
69.03429	6.3
70.06584	26.8
70.06915	4.6
71.57265	5.6
72.04498	8.2
72.08135	5.2
82.14217	4.4
83.06067	5.4
84.04506	12.6
84.08129	16.2
85.02902	14.2
85.06580	5.4
86.09689	13.8
87.05600	7.4
88.07610	26.5
90.05554	48.7
95.04967	6.1
97.02914	7.5
102.05516	6.4
103.07537	4.6
107.04953	16.0
110.07165	13.0
116.03458	6.5
120.08105	37.9
124.07604	7.7
129.10216	5.6
142.08632	5.3
159.44019	5.1
162.09093	7.1
166.08736	5.0
184.09674	10.2
202.10677	22.5
207.11305	19.0
220.11804	100.0
231.75050	4.3
235.10825	5.5
236.24741	4.7
315.66708	4.6
397.50525	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	382.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.7
55.01873	0.4
55.05244	0.2
55.05505	0.6
58.06615	0.2
58.41954	0.2
67.05493	0.6
69.59790	0.5
69.60200	1.6
70.06592	1.7
71.05035	0.2
72.08141	0.3
77.03918	0.3
79.05491	0.9
81.07038	0.9
82.06590	0.3
83.04990	0.4
85.02937	0.3
86.09716	0.4
87.04448	0.3
88.03984	0.8
90.64933	0.3
91.05476	7.9
93.07043	14.1
94.06590	0.4
95.04964	3.6
95.08606	0.6
95.34135	0.2
103.05459	8.7
105.04547	0.5
105.07011	0.3
107.04957	1.4
107.08577	0.4
111.04418	0.4
119.04921	0.3
120.08058	0.3
121.06497	100.0
121.10101	0.8
122.06084	0.4
122.06822	1.9
123.11718	0.3
131.08568	0.3
135.11699	0.4
136.07608	0.4
138.09100	0.4
138.12740	0.6
145.10199	0.5
148.07515	0.3
149.09642	0.6
163.11107	0.5
166.12305	1.5
180.13936	0.3
182.15364	2.5
184.13329	8.2
191.10713	0.4
200.16464	0.3
202.14377	1.5
203.08554	0.3
208.09665	1.1
208.13399	0.9
215.08511	0.3
226.14439	2.8
244.15471	0.7
261.09235	0.7
262.16489	5.4
302.17615	0.4
304.19083	4.9
305.19269	0.3
320.18344	0.7
322.20111	7.7
328.18860	0.4
346.19931	1.8
364.15677	0.5
364.21185	4.6
377.01862	0.4
382.22217	44.4
383.17661	0.5
383.22409	2.3
391.83578	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74072	0.5
55.05498	2.6
56.96552	0.6
57.07071	27.7
59.88581	0.6
61.22168	0.5
62.54222	0.5
65.03934	0.5
67.05508	3.8
69.07062	100.0
69.35056	2.5
69.35484	2.4
70.04073	8.4
70.07425	0.9
70.07835	6.6
71.04970	0.6
79.05486	2.2
81.07039	2.2
82.69754	0.5
91.05480	2.5
93.07041	1.6
94.04199	0.7
95.04946	1.1
95.08566	1.2
95.43637	0.4
97.06492	0.7
99.00011	5.4
102.27017	0.5
103.03113	0.7
105.07032	1.0
107.04945	1.6
107.08549	0.6
109.06546	0.9
109.10130	1.3
111.04427	0.8
112.03938	1.1
112.05054	2.9
113.01553	2.2
114.02990	0.8
115.07560	19.0
121.06499	1.3
126.98574	0.9
126.99458	9.6
127.00323	0.9
129.01013	14.5
129.26880	0.5
131.08546	0.5
133.10092	0.7
138.79099	0.5
139.00523	1.0
140.04546	3.8
141.01010	19.2
145.09981	0.5
149.02248	0.9
155.02568	7.8
158.05603	5.6
159.10249	0.5
161.09628	0.7
169.04224	0.5
173.13489	0.5
179.08528	1.1
193.05109	0.7
194.25755	0.6
197.07268	70.0
198.05074	1.6
198.07553	1.2
212.10333	0.6
215.06163	1.7
225.06697	3.2
245.04715	0.7
254.11284	4.2
255.11922	0.6
277.21573	0.7
382.11676	10.2
382.16324	0.8
382.26697	0.9
382.32745	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19147	5.1
50.67560	5.5
55.05508	6.0
67.05511	37.6
69.03434	100.0
69.07067	13.6
71.36092	5.4
71.59379	9.0
79.05482	15.8
81.07048	15.6
83.05025	5.8
91.05471	8.3
93.07048	16.8
95.04973	90.5
95.08606	20.4
97.10159	5.1
104.98121	5.9
105.07011	22.5
107.04942	16.1
107.08586	19.1
109.10169	18.7
117.07018	7.7
119.08553	16.3
121.10113	15.3
123.11655	10.5
125.09560	5.2
129.07001	5.5
131.08583	10.4
133.06461	6.6
133.10089	11.7
135.08078	14.0
135.11647	6.7
143.08522	11.2
145.10120	15.8
146.92737	5.9
147.11700	10.2
157.10117	11.2
159.11737	12.2
169.10136	9.1
177.12779	5.5
187.14835	13.1
189.16447	7.0
195.11690	6.2
197.13188	8.0
209.13226	6.5
211.14847	6.6
213.16432	7.2
227.17969	6.0
239.17880	6.9
288.55328	5.1
295.20569	9.4
295.24176	8.3
311.23715	7.7
313.25333	10.1
325.70087	6.2
337.25269	8.1
363.26797	24.1
381.27890	58.9
382.28329	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.7
54.18782	3.3
55.05512	20.3
57.07071	3.1
58.21711	3.2
60.97489	2.8
63.57542	2.8
67.05505	91.8
69.07063	13.7
69.53635	25.5
71.04971	2.9
79.05502	39.3
81.07052	100.0
83.08620	9.9
91.05482	19.3
93.07040	51.7
94.09031	2.9
95.04964	4.7
95.08608	79.7
97.10148	6.5
98.20753	6.1
105.07040	16.8
107.08599	36.3
109.10150	40.1
117.07014	8.3
119.08590	13.3
121.10136	28.3
123.11699	21.1
127.87238	3.0
131.08585	17.0
133.10133	11.6
135.11691	22.8
137.13307	4.6
145.10138	13.5
147.08099	3.8
147.11719	8.2
149.13307	17.3
151.11267	3.4
159.11700	11.3
161.13263	3.2
162.22261	3.0
163.14789	6.3
173.13264	13.3
175.14816	4.7
177.16374	3.3
187.14859	6.5
189.16328	4.0
201.16289	4.4
226.49858	3.1
233.19173	3.1
261.25665	4.7
263.84750	3.5
271.24161	6.8
289.18188	3.3
289.25253	87.7
290.25354	3.0
307.26624	3.8
363.28772	5.5
381.30011	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	381.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.2
55.01866	6.4
55.05513	27.7
55.99447	3.1
56.96564	4.0
57.03435	13.7
57.07080	4.2
59.04998	8.7
65.03932	4.5
66.21614	2.8
67.05502	83.9
69.03425	4.0
69.07068	24.5
71.04995	49.1
71.59150	4.9
72.08150	2.9
75.83006	2.8
79.05491	67.4
81.03428	4.5
81.07051	41.3
83.05010	4.6
83.08607	7.8
86.09697	4.2
91.05485	100.0
93.07041	57.5
95.04958	15.6
95.08604	40.0
97.06524	7.3
97.10175	9.4
99.08109	30.6
103.05458	6.1
105.07032	85.8
107.04958	21.1
107.08597	47.6
109.06530	12.4
109.10162	37.0
111.08075	4.1
117.07012	35.0
119.08582	46.2
121.06522	19.0
121.10120	16.4
123.08076	10.0
125.09660	7.6
128.06238	3.7
129.07014	9.0
131.08582	33.0
133.06520	3.9
133.10139	41.4
135.08055	13.2
135.11710	10.5
137.09634	9.9
141.07033	5.7
143.08559	8.0
145.10106	30.9
147.08072	5.1
147.11684	26.7
149.09618	31.8
151.11250	5.2
153.09105	3.4
155.08607	6.3
157.06502	3.6
157.10139	8.1
159.08049	7.9
159.11702	26.9
161.09601	6.1
161.13251	18.0
163.11214	6.4
169.10088	8.7
171.10242	3.2
171.11685	5.1
173.11823	7.0
173.13286	14.5
175.14774	4.1
176.40297	3.0
183.11751	4.9
185.13351	4.1
187.11179	4.4
189.11176	5.4
197.09642	4.7
197.13284	7.1
213.16299	4.0
215.17902	5.2
219.13824	3.2
225.12698	4.7
227.12788	4.2
229.14279	5.5
229.19516	9.2
239.17912	11.6
257.19064	17.8
275.20120	32.4
289.18112	5.5
289.21533	3.0
335.23837	5.0
349.23810	31.8
381.26733	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.2
55.01871	6.5
55.05511	35.0
55.73462	4.0
57.03439	12.8
59.05004	10.2
65.03915	7.8
67.05503	87.9
67.96865	5.4
69.03429	4.8
69.07083	19.4
70.06595	4.9
71.04989	42.5
71.59913	5.3
73.50126	4.1
75.04439	4.6
79.05492	64.4
81.07066	43.0
83.04984	6.2
83.08609	13.2
85.02925	4.4
91.05479	84.3
91.68935	4.1
93.07035	50.7
95.04955	16.2
95.08599	34.4
97.06535	6.8
97.10169	11.1
99.08094	26.8
103.05502	6.0
105.07027	100.0
107.04964	16.7
107.08592	56.0
109.06520	11.4
109.10159	41.7
116.06240	4.3
117.07005	30.2
119.08579	64.2
121.06479	9.0
121.10175	23.2
123.08028	7.1
123.11678	5.3
125.09639	5.3
129.07008	6.6
131.08569	36.7
133.06531	4.9
133.10130	56.0
135.08060	16.0
135.11702	14.9
137.09596	10.1
141.06934	5.2
143.08533	8.9
145.10117	34.6
147.08012	6.5
147.11700	19.4
149.09634	26.7
151.11183	5.4
155.08563	6.1
159.11699	32.8
161.13199	18.4
163.11205	9.9
169.10121	6.3
171.11711	9.9
173.11746	6.5
173.13261	12.5
175.11137	4.8
183.11725	8.8
186.37286	4.0
187.11163	5.6
189.11125	4.1
197.13268	6.9
209.11737	3.9
211.14742	5.4
215.17841	4.7
229.14275	5.3
229.19540	6.6
233.15318	4.2
239.17905	9.1
247.20572	5.3
251.31693	5.2
255.01764	4.1
257.19116	27.9
275.20071	44.3
289.17886	5.0
329.94559	3.7
339.32257	4.5
349.23633	29.4
362.96100	4.7
381.26553	55.2
381.31631	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	381.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	5.0
53.03947	9.6
55.01886	5.9
55.05509	38.8
57.03440	9.5
57.07056	5.7
65.03922	5.3
67.05504	59.2
69.03424	6.1
69.07072	32.8
69.78229	18.6
69.78637	9.0
71.04987	14.4
71.70618	5.6
79.05482	52.1
80.26077	5.1
81.07059	63.3
83.08626	14.7
91.05479	78.8
93.07044	51.5
95.04983	15.8
95.08604	37.2
97.06549	7.1
99.08091	5.7
103.05492	6.2
105.07024	66.5
107.04971	16.9
107.08575	30.5
109.06534	8.7
109.10186	24.7
115.05453	12.4
117.07002	32.5
119.08565	38.3
121.06506	100.0
121.10146	21.8
123.08040	5.5
123.11656	6.2
128.06238	15.6
129.07037	26.8
131.08569	31.7
133.06494	45.2
133.10176	25.0
135.08049	16.9
135.11641	8.6
141.07004	16.5
142.07808	7.5
143.08551	16.7
145.06465	39.7
145.10141	29.5
147.08066	46.8
147.11699	15.5
149.09560	7.0
152.06203	9.2
153.07027	10.8
154.07770	7.7
155.08559	25.9
157.06474	23.8
157.10101	11.6
158.07277	6.1
159.08031	30.2
159.11693	22.0
161.09639	14.3
161.13263	5.7
165.07011	20.1
166.07791	9.2
167.08624	15.6
169.06470	14.5
169.10152	17.1
171.08058	31.4
171.11681	9.3
173.09660	27.5
173.13287	6.1
175.11194	7.7
178.07758	14.2
179.08577	19.4
181.06482	20.0
181.10182	11.2
182.07303	10.0
183.08061	54.5
183.11688	12.5
184.08885	9.5
185.09598	28.2
187.11209	15.1
191.78105	5.3
192.09242	4.9
193.10130	13.7
194.07294	9.6
195.08057	36.5
195.11737	8.5
196.08847	14.5
197.09625	50.0
197.13275	4.9
198.10286	7.1
199.11179	26.3
201.12729	5.4
205.10187	7.5
206.10890	6.2
207.08093	6.3
208.08911	6.3
209.09554	27.2
211.11139	39.4
213.12764	14.9
223.11211	36.7
225.12773	38.2
227.14252	8.6
237.12798	31.1
239.14409	24.3
245.78416	5.4
247.16978	5.8
249.18623	5.4
251.14348	18.8
253.15999	7.7
289.18069	9.0
308.89178	5.6
335.23642	49.8
363.23108	28.9
381.24033	89.7
381.31552	5.3
382.24774	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	381.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.6
55.01857	13.5
55.05499	14.8
56.96565	6.3
57.03434	22.3
57.07063	6.8
59.04990	5.9
59.42691	3.0
61.02916	8.8
67.05499	39.4
69.03427	30.2
69.07062	16.6
70.03701	3.4
70.06551	6.2
71.01333	5.7
71.04987	24.8
71.59721	6.0
72.08168	3.4
73.02915	17.0
77.15399	3.6
79.05489	71.4
81.03432	18.9
81.07052	55.7
83.04982	6.2
83.08615	3.4
84.08099	3.6
85.02899	48.9
87.04470	7.0
91.05473	40.3
93.07037	100.0
93.07623	5.6
95.04964	24.5
95.08607	57.1
97.02859	18.3
97.06548	6.7
97.10205	4.1
98.97599	19.0
103.03939	6.9
105.04520	3.1
105.07020	50.0
107.04943	23.2
107.08587	29.8
109.02856	3.5
109.06520	9.5
109.10154	33.4
111.04489	4.0
111.08098	4.3
114.62984	3.1
115.03909	10.9
116.98600	17.8
117.07004	17.6
118.67191	3.1
119.08560	40.3
121.06499	13.7
121.10136	52.2
123.08036	17.0
123.11656	7.2
125.09616	5.4
127.03894	9.0
127.11196	5.3
128.06210	6.4
129.06978	14.0
130.07765	3.6
131.08571	28.7
133.04950	13.9
133.06506	8.2
133.10146	25.3
134.99686	8.0
135.08116	8.6
135.11699	10.1
137.05980	4.1
137.09618	26.8
141.06975	4.5
142.07796	11.0
143.08514	19.3
144.09369	5.0
145.04967	4.3
145.06453	6.1
145.10110	47.5
147.07991	7.6
147.11690	24.5
149.05989	3.8
149.09644	5.5
149.13251	9.1
150.07779	7.7
151.11174	5.4
152.05653	13.4
155.08511	8.4
156.09282	3.8
157.10104	43.3
158.99574	8.2
159.08014	7.7
159.11691	34.1
161.09616	8.8
161.13245	13.5
163.07455	5.2
163.11157	16.1
165.06973	6.8
167.08569	4.8
169.10143	20.0
171.08020	7.1
171.11665	23.5
173.09608	10.0
173.13269	8.9
175.11197	14.1
177.00719	10.2
179.08505	3.8
180.09343	3.9
181.10065	7.4
182.15472	3.9
183.11700	9.1
185.13228	9.1
187.11127	6.6
187.14778	3.7
189.09044	5.2
189.12648	5.6
191.17967	3.3
193.10159	4.2
195.11676	7.8
197.13266	8.4
199.11238	6.4
199.14932	5.1
201.12767	4.2
201.16324	21.0
202.08556	5.0
203.14522	3.5
211.11069	4.8
211.14697	4.8
213.16443	8.9
217.15887	8.2
219.17415	18.0
223.11249	4.3
225.16451	4.7
228.15970	8.0
229.15919	9.5
231.17365	23.2
237.02878	9.5
239.14500	5.6
241.12195	6.0
243.17419	8.5
259.13254	4.5
261.02979	4.3
261.18381	6.5
267.17270	4.0
297.18277	3.7
327.19363	7.5
345.20627	11.1
356.65552	4.4
363.15833	4.1
363.21716	11.5
381.18021	5.1
381.22687	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	381.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97409	2.3
53.03932	6.5
55.01875	17.6
55.05260	4.2
55.05510	57.3
57.03437	71.6
64.88319	2.5
65.03943	3.7
67.05502	100.0
69.03415	8.6
69.07069	19.4
69.26839	17.7
69.27261	12.0
70.06584	6.0
71.04989	6.2
72.08133	2.5
75.04472	2.7
79.05488	63.4
81.03388	7.9
81.07054	67.3
83.04977	12.8
83.08624	25.6
84.61159	2.5
85.06564	4.9
91.05474	54.3
93.07041	47.5
95.04974	22.8
95.08604	49.4
97.06525	38.6
97.10165	41.2
98.20738	5.7
103.05435	5.5
105.03305	2.8
105.07027	26.7
107.04958	16.3
107.08591	39.4
109.06514	29.3
109.10154	44.1
111.04416	3.5
111.08057	19.3
113.05980	3.1
115.05440	6.9
115.44205	2.4
117.07035	19.1
119.08582	34.1
121.06514	14.7
121.10141	13.5
123.04433	3.9
123.08059	18.1
123.11732	5.1
123.19363	2.7
125.09622	40.8
127.07594	3.9
129.07018	9.5
131.08577	13.3
133.06465	6.1
133.10139	16.8
135.08073	18.1
135.11656	4.3
137.05919	3.1
137.09608	87.1
139.07530	12.7
143.08566	6.2
143.10654	4.1
145.06468	4.5
145.10114	12.3
145.11192	2.5
147.08058	10.6
149.09579	10.1
151.07553	5.0
151.11185	6.1
153.09125	31.4
155.01012	3.2
155.07120	3.4
155.08493	6.8
157.06529	2.9
157.10118	5.6
158.11792	2.7
159.08020	9.1
159.11664	7.4
161.09590	7.4
161.13217	4.6
163.07565	11.0
163.11247	5.6
169.10155	3.3
171.10182	3.8
171.11700	2.6
173.09631	8.1
173.11746	10.2
173.13202	5.3
175.11169	5.2
183.11632	3.9
185.09630	2.8
189.11234	28.0
189.12740	4.9
195.10057	3.2
205.16005	4.4
215.17908	3.0
225.16423	6.9
227.12784	4.1
229.14207	14.0
233.15369	4.3
238.36588	2.5
243.17487	6.4
247.16995	3.4
261.18341	13.7
271.17041	18.8
278.84039	2.6
289.17950	77.3
307.19006	11.6
339.39569	3.0
363.21634	8.9
381.14865	4.6
381.19162	3.4
381.22842	49.0
381.27716	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	381.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.2
55.01863	3.6
55.05515	12.5
55.57837	1.5
57.03438	10.8
65.03918	2.4
67.05505	19.0
69.03423	2.9
69.07061	4.8
69.86343	8.6
70.59367	1.2
71.04992	2.9
72.93790	1.6
79.05495	36.9
81.03433	6.5
81.07056	100.0
83.04508	2.0
83.04977	9.9
83.08617	4.9
85.06542	1.6
91.05485	18.6
93.07050	14.4
95.04986	7.8
95.08607	11.1
97.02934	2.4
97.06508	2.4
97.10167	3.6
105.07033	12.3
107.04950	12.6
107.08591	9.8
109.02879	6.1
109.06516	70.6
109.10158	6.0
111.04440	4.4
111.08091	2.2
115.05477	1.4
117.06302	1.4
117.06992	7.8
119.08593	7.5
121.06508	5.9
121.10146	4.8
123.04417	3.8
123.08057	3.6
125.09624	3.3
129.07040	2.6
131.08572	6.1
133.06512	3.5
133.10103	8.0
133.11015	1.5
135.08044	8.4
135.11678	2.8
137.09659	3.0
141.06985	2.6
143.08551	3.4
145.06493	2.7
145.10152	4.0
147.08015	3.0
147.11682	2.6
149.09630	2.5
149.13251	5.1
157.10071	1.8
159.08099	5.0
159.11696	4.5
161.09647	5.1
163.07533	3.6
163.11235	2.1
171.11667	3.1
173.09630	3.9
177.09102	2.4
177.12808	2.4
179.10666	4.7
185.13234	2.3
187.11194	2.7
187.14909	1.8
189.09125	2.3
189.11235	1.9
197.09587	1.4
205.12230	1.6
205.15948	1.9
215.14305	2.2
227.14275	1.7
241.14320	1.8
243.17433	3.5
245.15538	2.9
253.15837	1.9
257.13867	3.3
261.18472	7.3
267.06610	1.7
271.17001	5.3
275.05838	2.0
285.07700	2.1
289.18018	26.0
307.19098	4.5
363.21674	4.4
363.26648	1.9
381.22583	16.3
381.27951	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	381.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	25.5
55.01863	21.3
55.05511	40.6
57.03439	57.0
61.95866	4.7
65.03948	4.8
67.05508	94.0
69.03417	16.8
69.07063	21.4
69.66223	34.3
71.04999	11.7
72.93797	5.6
79.05490	65.4
81.03417	36.5
81.07059	100.0
83.04984	81.5
83.08601	14.5
83.09062	4.5
85.06534	12.1
91.05482	68.2
93.07058	83.8
95.01320	16.9
95.04976	47.6
95.08617	60.3
97.06518	14.6
97.10149	10.2
103.05493	6.0
105.07027	35.5
107.04956	91.0
107.08604	32.1
109.06528	29.6
109.10159	18.5
111.04449	64.2
111.08064	10.0
113.06036	7.9
117.07020	34.8
119.04991	8.9
119.08574	32.0
121.06502	31.9
121.10146	14.6
121.78575	5.3
123.04420	13.4
123.08047	33.5
124.31448	5.1
125.06000	10.7
129.06998	10.4
131.08563	37.2
133.06526	12.8
133.10112	19.9
135.08035	17.7
135.11713	30.9
135.12544	5.5
141.06995	10.4
143.08543	7.4
145.06487	28.3
145.10097	18.6
147.08032	10.2
147.11673	7.1
149.09587	8.7
149.13245	18.3
151.07588	6.2
155.08601	6.2
157.10248	9.6
159.08020	26.1
159.11665	38.6
161.09636	10.4
163.07553	13.8
163.11191	9.7
165.09137	6.8
169.10306	9.7
171.11783	8.2
173.09656	6.1
177.12750	30.0
187.11194	35.5
187.14754	5.1
189.11212	11.3
194.18225	5.6
195.13817	18.1
205.12277	11.8
211.11308	5.4
223.13373	15.9
233.15393	27.0
241.14349	59.2
243.17577	5.8
261.18405	23.9
271.17010	15.9
279.15912	11.9
289.17987	78.8
294.32114	5.2
307.18921	10.9
331.23843	4.7
354.44882	5.2
363.21625	21.1
381.22681	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	381.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.3
55.01870	11.7
55.05511	39.5
56.96555	2.6
57.03439	64.5
59.05011	2.5
65.03931	2.6
67.05506	63.7
69.03419	6.0
69.07060	13.2
71.04989	3.1
71.43621	2.9
72.03600	2.1
75.04478	2.7
79.05496	44.8
81.03411	9.6
81.07062	41.3
83.04978	10.1
83.08618	19.4
85.06541	5.4
86.09719	2.4
91.05486	43.4
93.07040	30.6
95.04967	20.9
95.08614	23.7
97.06522	7.2
97.10168	25.3
99.04472	2.4
103.05447	7.5
105.07040	21.1
105.62463	2.2
107.04955	100.0
107.08599	21.8
108.05324	2.9
109.06525	16.7
109.10155	36.2
110.39271	1.8
111.04446	2.2
111.08069	10.4
111.56673	1.9
113.05942	2.7
115.05444	13.9
117.07030	15.4
119.04922	3.8
119.08586	24.4
121.02875	3.1
121.06508	8.8
121.10148	9.0
123.08068	10.3
125.09630	20.2
128.06230	6.1
129.06984	17.9
131.04924	29.4
131.08568	10.0
133.06493	8.2
133.10129	13.8
135.04411	2.0
135.08061	15.5
135.11685	2.4
135.82353	2.9
137.05962	4.3
137.09619	42.3
139.07495	3.6
141.06995	16.6
143.04932	2.7
143.08598	3.5
144.05786	2.8
145.06470	18.2
145.10139	10.2
147.08025	6.4
147.11697	3.7
149.09598	3.4
151.07553	3.2
151.11197	7.1
153.07039	4.3
153.09109	11.3
157.06491	13.0
159.08072	7.2
159.11691	3.0
161.09642	3.9
163.07550	7.0
163.11147	3.2
165.07039	5.0
167.08534	3.6
169.05013	3.3
169.06488	65.2
169.10168	3.9
171.11699	3.1
173.09622	4.1
173.11729	5.5
173.13196	2.8
177.12700	2.2
178.07813	8.6
179.08495	10.4
181.06465	4.6
182.07193	3.0
183.08058	2.2
187.14822	2.4
189.07010	3.6
189.11230	17.2
190.07710	4.9
191.08669	3.1
191.10654	2.1
193.10121	2.5
195.08008	3.5
197.09663	2.7
199.14751	2.2
202.07785	6.0
203.08502	10.7
204.09331	2.9
205.06441	2.7
205.10123	3.4
205.16025	2.4
206.07230	3.0
207.08070	13.6
210.06764	4.2
215.08582	8.9
215.14371	5.2
218.07303	7.2
219.08028	8.8
221.09608	8.9
223.07582	4.7
224.08232	3.1
225.09111	39.0
229.14331	11.3
231.08028	12.9
232.08717	4.4
233.09631	10.3
233.15366	16.1
234.06810	3.0
235.07494	5.0
237.09088	9.8
243.07982	2.4
243.17589	4.7
245.09627	4.0
247.07625	4.5
247.11166	2.6
249.09113	37.7
250.09769	18.0
255.08212	2.3
257.09702	2.9
259.11188	6.2
260.08337	3.0
261.09085	23.2
261.18436	11.0
269.09552	3.3
271.16937	12.6
272.08276	5.3
273.09097	10.2
274.09866	5.9
275.10678	16.6
287.10635	13.7
289.17993	50.5
289.90973	2.4
290.18137	2.5
307.18997	5.2
319.18777	2.9
338.12857	3.0
353.15497	4.5
363.21698	4.7
381.14908	64.4
381.22635	33.8
382.15118	6.0
382.23306	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	381.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06781	3.6
54.97763	3.4
55.05510	4.4
56.05034	23.3
56.96560	5.3
57.03427	4.0
58.03501	3.7
60.04522	63.7
63.17498	3.2
64.78351	3.1
69.03420	11.6
69.07066	4.4
69.91077	10.5
69.91483	6.8
70.02983	5.0
70.06593	90.4
71.06918	5.4
72.04514	4.3
72.08163	19.2
74.06084	39.8
75.81872	3.8
81.03416	8.8
82.06581	3.7
84.04506	48.6
84.08140	66.5
85.02895	26.3
86.06039	9.7
86.09702	100.0
87.05585	8.7
88.03985	9.1
91.05482	3.7
93.04529	4.7
97.02871	9.0
98.06040	3.6
102.05535	69.8
107.04937	12.6
108.05253	4.6
109.02859	4.3
110.06004	4.3
110.07159	31.9
112.08743	4.9
115.08627	6.0
116.07109	6.2
116.98594	4.9
119.04953	4.3
120.08109	43.2
126.05495	5.5
127.03920	8.5
127.08656	6.5
128.10632	4.1
129.10255	33.0
130.04994	4.5
130.10594	3.7
131.08211	5.1
132.10191	56.8
133.06476	11.0
134.99672	4.0
138.05469	5.8
155.08205	4.4
159.07741	4.4
173.12875	22.7
197.12822	19.5
201.12358	14.4
210.11284	3.9
215.13931	6.6
219.13377	77.0
225.12378	4.5
237.02693	4.1
240.06252	4.4
243.13435	41.6
261.14435	45.2
263.13791	4.5
297.14340	21.0
314.34113	4.9
327.15570	5.0
368.74817	3.7
378.68979	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	381.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	15.0
55.05261	4.0
55.05510	45.7
56.96573	5.2
57.03440	43.3
59.04975	2.8
67.05503	48.3
69.03416	5.7
69.07066	12.4
69.41711	22.2
70.06579	6.2
71.05012	2.7
72.08144	3.6
79.05494	54.9
81.03399	5.2
81.07050	50.7
82.80061	2.2
83.04987	38.5
83.08624	17.3
84.08167	5.1
91.05479	36.4
93.07041	42.7
93.07563	4.5
95.04958	13.9
95.08601	29.3
97.06557	7.8
97.10174	25.8
105.07032	38.6
107.04952	26.6
107.08593	39.8
109.06520	17.8
109.10168	17.5
111.04445	2.7
111.08073	7.1
115.05511	2.7
117.07021	18.5
119.08594	30.6
121.06519	16.5
121.10114	17.2
123.08057	13.4
123.11700	3.1
125.05943	3.3
125.09648	23.6
129.07050	7.1
130.07808	2.4
131.08557	23.1
133.06491	33.2
133.10110	7.9
135.04404	4.1
135.08072	21.0
135.11678	3.5
137.05986	6.0
137.09599	55.6
137.10580	3.6
139.76221	2.8
141.07007	5.9
143.08597	6.4
145.06488	5.8
145.10117	19.3
146.07310	2.5
147.08049	13.5
147.11722	3.9
149.09642	19.4
149.13316	2.5
151.07524	4.0
153.09129	3.2
155.08536	4.6
157.06523	2.8
157.10097	3.2
158.10812	2.5
159.08086	12.7
159.11674	10.7
161.09595	7.3
161.13289	5.1
163.07545	7.0
163.11183	9.3
163.14827	3.6
169.06421	2.7
169.10167	4.8
171.10292	2.8
171.11723	9.0
173.09618	8.6
173.13220	14.8
175.11229	3.5
183.11694	7.0
187.14806	10.0
189.11230	20.8
189.12796	9.2
191.10663	4.4
193.05043	4.1
197.13310	4.5
201.16312	3.6
205.15915	13.9
215.14316	12.7
225.16452	4.3
233.15355	100.0
234.15738	2.9
243.17474	9.9
251.16388	28.4
253.15834	2.7
261.18463	27.2
271.16870	21.0
279.19409	3.5
289.17957	98.4
307.19022	13.5
309.10257	3.4
363.13284	3.0
363.21655	9.5
381.14917	5.0
381.18893	5.6
381.22787	59.4
381.27646	4.4
382.23215	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.3
55.01626	1.4
55.01874	20.8
55.05269	1.7
55.05513	21.9
56.05026	2.8
56.96563	1.8
57.03435	8.9
62.42322	0.9
63.23893	0.9
65.03951	1.5
67.05500	23.3
67.99727	1.1
68.05031	1.2
69.03418	4.1
69.07064	6.4
70.06594	26.1
70.49082	1.0
71.04997	20.3
71.45877	1.1
72.08157	5.2
74.06066	1.1
79.05492	14.2
81.03401	3.5
81.07059	16.0
83.04982	3.0
83.08618	10.8
84.04487	3.4
84.08138	8.1
85.02898	2.5
85.06537	2.3
86.09704	17.5
87.04474	5.7
91.05476	11.0
93.07047	14.9
94.06551	1.3
95.04957	4.7
95.06078	1.1
95.08614	9.3
97.06532	100.0
97.10147	8.2
98.06032	1.4
98.97585	2.8
98.98457	1.4
102.05541	1.8
103.05492	1.4
104.05291	2.1
104.10740	2.0
105.07001	5.6
107.04962	8.6
107.08595	9.9
109.06511	4.1
109.10152	8.4
110.07162	3.5
111.08096	3.0
112.08716	2.0
113.00021	43.6
115.05486	1.3
116.98618	2.3
117.07031	7.3
119.08610	3.6
120.01218	1.0
120.08126	6.3
121.02837	1.1
121.06522	4.6
121.10147	4.4
123.08057	2.3
125.00012	1.1
125.09629	7.0
127.22933	1.1
129.10242	4.8
131.01044	1.1
131.04919	1.1
131.08591	4.8
131.90662	1.1
133.03227	1.4
133.06535	1.4
133.10133	6.4
134.99617	1.6
135.08070	5.1
135.11699	3.9
136.06204	1.5
136.07535	1.6
145.06534	2.5
145.10144	1.1
146.99655	2.6
147.08067	1.2
147.11635	1.5
149.13266	4.0
150.05809	2.6
150.07678	5.3
151.11148	1.4
152.05693	7.5
153.04118	1.0
153.06006	1.2
153.09045	1.5
157.06445	1.4
159.08034	2.2
159.11716	4.0
161.93735	1.1
169.02605	3.4
173.09576	1.0
173.13025	1.2
175.11272	0.9
177.00757	1.2
177.12741	10.7
179.14417	1.3
184.07315	3.1
187.03691	5.6
189.11191	3.5
189.12746	1.1
191.08554	1.3
195.13794	23.8
201.12589	1.1
213.14867	20.1
219.01781	1.9
237.02858	3.0
242.04745	1.2
249.08960	1.5
264.18515	1.1
266.20996	1.4
269.17480	89.4
270.17899	2.6
282.43311	1.0
289.18045	3.2
363.16052	3.0
363.22287	2.1
381.19421	4.5
381.23291	3.0
381.30630	1.3
382.16156	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
55.01870	1.1
55.05518	4.7
55.93530	2.9
56.08823	0.9
56.94306	2.8
56.96560	2.1
57.03430	2.8
57.07074	1.9
60.24073	0.9
61.02916	1.4
61.34840	0.9
65.49129	0.8
67.05513	7.5
69.03426	1.9
69.07069	5.8
70.04067	3.2
70.06596	2.1
70.07381	1.1
70.10109	4.4
70.95871	4.6
71.04983	1.7
72.93779	14.5
73.02908	1.3
79.05482	5.7
81.03403	7.1
81.07047	7.7
83.04983	3.1
83.08590	2.2
85.02896	2.2
87.04422	1.0
88.96903	3.5
90.94826	9.3
91.05484	7.0
93.07056	5.1
95.04958	3.3
95.08601	3.6
97.02862	1.0
97.06523	2.3
97.10153	0.9
105.07049	4.0
107.04956	3.9
107.08578	3.2
108.95857	2.2
109.06502	2.2
109.10159	3.4
111.08051	1.4
113.96421	1.1
115.05399	1.0
116.96295	1.0
117.06990	2.3
119.08576	3.6
121.06514	2.1
121.10142	2.3
123.08054	2.4
123.11658	0.9
125.09606	1.3
126.98418	2.4
128.96370	3.6
129.06998	1.7
130.97966	2.1
131.08525	2.3
133.10136	2.4
134.97363	2.4
135.08054	1.4
138.98438	2.7
142.06093	1.1
142.97951	1.3
144.95854	2.1
144.99420	1.4
145.10109	1.8
146.97366	3.7
148.98987	3.6
150.96916	1.2
150.98364	1.6
154.97891	4.2
155.56044	1.2
156.99483	2.1
158.97505	1.7
159.00987	1.6
159.08098	1.3
160.98965	2.0
161.09641	1.4
162.96916	3.1
163.11212	1.0
164.98573	1.1
164.99994	3.6
165.03691	1.0
166.97937	4.0
168.99554	2.4
170.97371	2.3
172.98967	4.4
173.09669	1.1
175.00494	2.2
175.01947	1.1
178.97932	3.0
179.01532	1.3
180.99509	2.5
182.97401	1.3
183.00995	2.0
183.11646	1.3
184.98975	5.1
186.01248	2.1
187.00574	1.9
189.03661	2.7
191.01567	0.9
192.99419	2.3
195.00943	1.4
196.98895	2.7
197.07315	1.6
199.00470	1.4
199.02136	2.8
201.02060	3.0
201.03780	1.3
203.00089	1.4
207.01021	4.0
209.02554	1.2
211.00519	2.0
213.02226	1.8
217.03209	1.1
220.98866	1.3
221.02731	1.1
227.03731	1.8
237.05775	1.5
239.03603	1.6
247.04175	1.2
253.05223	1.8
255.06731	1.2
257.04700	1.1
261.02094	1.0
265.05157	19.4
266.05609	1.2
269.10693	1.3
271.06192	5.1
283.06247	100.0
284.06482	4.1
285.10120	2.7
289.18121	1.6
301.07324	35.9
301.12894	1.5
306.07837	8.2
324.08923	6.6
345.11591	2.9
363.12305	5.3
381.13632	4.3
381.28088	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.6
54.16973	2.1
55.01860	5.5
55.05510	14.9
55.93523	14.8
56.94302	10.1
56.96560	6.3
57.03432	12.0
57.07064	5.6
61.02918	7.2
67.05508	33.6
69.03422	9.5
69.07073	23.4
70.04075	5.5
70.06577	3.8
70.28331	3.2
70.28677	9.2
70.95861	25.1
71.04974	5.8
71.93021	4.0
72.08156	3.1
72.91827	2.4
72.93789	53.6
73.02911	3.2
73.94566	3.0
79.05496	30.5
81.03414	17.9
81.07054	37.5
83.04995	11.7
83.08607	4.3
85.02903	8.4
85.06521	3.3
88.96900	16.6
90.10716	2.2
90.94821	46.7
91.03967	3.4
91.05473	27.4
93.07034	22.2
95.04973	11.3
95.06099	2.8
95.08617	17.0
97.02890	11.8
97.06525	22.6
97.10180	3.3
102.94770	3.0
104.96378	3.0
105.07041	21.6
106.97945	4.7
107.04933	15.9
107.08604	16.0
107.95132	3.0
108.95853	22.0
109.06525	13.4
109.10168	13.4
111.04427	6.1
111.08074	10.3
112.99988	7.0
113.96386	5.0
116.96358	7.1
117.07016	6.0
119.04952	3.6
119.08574	11.1
121.02932	2.4
121.06512	8.9
121.10139	7.7
123.08067	3.2
125.09605	4.0
125.96178	2.7
126.98460	7.1
128.96364	12.0
129.07036	8.0
130.97916	7.2
131.08551	9.6
131.97452	3.6
132.95795	5.8
133.06523	3.6
133.10121	6.7
134.97382	10.4
134.98932	2.7
135.11678	6.0
136.95329	7.8
137.09579	3.6
138.98407	7.0
140.99956	3.3
142.97902	9.9
143.08577	6.4
144.95828	5.9
144.99469	12.3
145.06476	4.1
145.10088	6.8
146.97383	16.3
147.08075	3.0
148.98994	14.2
149.13271	6.3
150.96880	8.2
150.98364	4.7
151.02061	8.7
152.96364	2.5
154.97882	5.4
156.99498	9.4
157.10097	5.0
158.97491	9.4
159.01089	7.0
159.11705	7.3
160.97342	5.0
160.98918	7.9
161.09557	3.5
162.96906	12.4
164.98586	5.0
164.99982	15.5
165.03586	4.0
166.97928	8.7
168.99516	8.5
169.02708	3.5
169.10068	2.7
169.99078	2.9
170.97379	6.4
171.01039	5.7
172.98889	11.5
173.09625	3.7
175.00578	3.8
176.98477	9.6
177.12668	3.4
178.97897	10.3
179.01547	5.2
180.99429	5.8
182.97485	2.4
183.01059	4.0
183.11697	2.8
184.98965	16.7
186.01300	11.9
187.00543	12.2
188.98398	3.1
189.03632	4.7
192.99509	8.6
193.03198	2.5
193.12161	2.7
195.00986	4.5
195.13774	3.9
196.99019	4.4
197.02629	3.0
197.07375	3.0
199.00510	5.5
199.02112	5.2
201.01967	4.8
201.03659	12.2
203.00009	5.6
203.01663	3.4
207.01021	6.2
208.00522	3.0
211.00586	3.1
213.02020	4.9
215.01657	4.2
215.03664	9.7
217.03154	3.1
217.07355	2.9
220.98848	3.2
221.02689	4.5
223.00594	2.6
225.01958	3.6
227.03650	7.7
227.05470	4.6
229.03207	3.4
229.05046	10.9
233.02649	3.4
239.03624	9.6
241.05238	3.5
241.14244	3.7
245.04678	4.7
247.04155	3.5
253.05179	20.8
255.06776	4.5
257.10623	3.7
261.18607	2.9
263.03546	4.7
265.05008	15.7
267.06754	87.9
269.04858	3.9
269.07990	3.3
269.10571	7.7
269.17444	13.4
271.06287	41.2
271.17075	2.8
275.05728	4.0
275.11630	6.2
277.05078	6.4
283.06171	12.3
285.07816	100.0
286.08264	3.2
287.11661	7.4
289.17987	13.8
291.06668	3.3
293.08322	19.6
294.07990	7.9
295.06332	18.4
295.09229	3.7
298.07269	3.1
301.13190	10.3
307.05966	3.0
308.09424	20.1
311.09265	15.9
313.07172	14.4
317.12094	3.7
321.07919	3.1
324.14725	2.9
334.10895	2.9
335.13031	4.5
336.09106	3.9
339.08871	5.2
345.11386	20.4
349.07291	4.1
363.12534	19.9
364.12671	3.0
381.09177	5.4
381.13571	25.7
381.23071	12.0
386.14047	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	381.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.9
55.01876	4.9
55.05510	16.6
55.93530	9.8
56.94302	8.9
57.03419	8.9
57.07069	2.9
60.59876	2.3
61.02909	3.4
65.03940	2.2
67.05501	25.0
68.94284	2.5
69.03418	7.5
69.07064	14.3
70.04060	4.1
70.35969	8.6
70.95864	22.1
71.04978	8.3
71.92994	2.7
72.93784	44.9
73.94578	2.3
76.61115	1.7
79.05484	18.5
81.03406	14.3
81.07040	20.6
83.04957	6.3
83.08606	6.7
85.02910	3.3
88.96896	13.1
89.94044	3.2
90.94821	29.0
91.03960	3.2
91.05460	22.0
93.07029	15.9
95.04942	11.6
95.08596	9.4
97.02883	3.5
97.06531	5.9
97.10170	3.0
105.07022	13.7
107.04931	12.2
107.08584	10.3
108.95867	15.2
109.06519	8.8
109.10100	4.1
111.04453	2.6
111.08059	12.4
113.06014	2.1
113.96388	3.6
115.05453	2.8
116.96384	5.5
117.07001	2.9
119.08570	5.8
121.06470	6.4
121.10147	4.1
123.08066	14.8
123.11716	2.6
125.05960	2.7
125.09595	4.2
126.98457	5.4
128.96332	9.5
129.07016	5.0
130.97932	4.4
131.08569	6.7
131.97397	2.8
132.95807	2.9
133.06497	2.9
133.10107	5.6
134.97429	5.4
135.08038	4.5
135.11682	2.2
136.95335	4.5
138.98409	6.3
140.99985	2.8
141.06921	3.4
142.97876	6.6
143.08554	4.6
143.30511	1.9
144.95808	5.7
144.99478	9.7
145.10095	5.2
146.97357	11.5
148.98940	8.6
149.00365	2.3
149.09628	2.6
150.96857	2.6
151.02075	6.9
154.97842	5.9
155.08511	2.7
156.99489	5.2
158.97424	8.7
159.01045	4.1
159.08069	2.3
159.11690	3.5
160.98985	4.6
162.96878	8.3
164.98596	3.5
165.00011	9.9
166.97903	14.1
168.99472	6.6
170.97403	5.2
171.01022	4.0
171.11627	2.3
172.98976	7.3
173.09581	3.1
175.01982	4.3
176.98424	8.8
176.99829	2.9
177.12779	2.4
178.97922	6.4
179.01534	4.3
180.99469	6.3
182.97365	4.0
183.01062	2.7
184.98926	10.3
186.01285	2.7
187.00533	13.2
188.98470	2.1
189.03694	3.5
189.11203	3.1
191.00066	2.4
192.99443	12.5
193.03027	2.7
195.01086	4.6
196.98900	7.8
197.02629	3.8
199.00517	2.9
199.02168	4.2
200.98381	5.0
201.02010	4.8
201.03670	4.8
205.01595	4.8
205.03284	2.9
207.01067	5.3
208.98883	2.7
213.01952	4.4
213.03725	5.0
215.01753	2.7
215.03674	7.9
219.01100	2.6
219.03053	3.7
220.98878	2.8
221.02480	2.9
223.04060	2.3
225.02046	6.2
225.05580	2.6
227.03592	5.6
227.05415	3.2
229.03096	3.2
229.05104	2.5
233.02531	3.1
235.00586	4.9
235.04172	2.9
239.03409	4.5
243.03070	3.8
245.04706	11.6
247.04318	2.3
249.02180	3.2
251.03633	4.4
251.07253	2.1
253.05217	18.6
255.06761	3.5
257.04681	5.9
259.06232	16.8
261.04187	7.5
265.04987	4.2
267.06543	3.6
269.08270	3.7
271.06265	100.0
275.07349	5.7
277.05197	4.1
277.09009	2.2
283.06119	9.7
289.07422	5.1
289.18030	7.0
291.06857	2.5
293.08218	14.6
294.07944	9.7
295.06149	30.0
297.08020	8.8
299.10889	8.1
309.07761	6.6
311.09393	19.7
313.07394	11.1
321.07913	11.6
327.10303	7.2
334.10986	2.6
335.13181	2.7
339.08847	6.1
345.11438	42.9
363.12527	51.4
363.21606	3.5
381.13583	19.2
381.17996	3.1
381.22574	3.7
381.27890	6.0
404.15067	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	381.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72643	4.5
62.17042	5.3
69.45032	37.6
69.45436	7.7
98.39722	5.1
117.48853	4.6
129.40849	4.9
132.42642	4.2
144.50188	4.6
145.53400	4.9
170.30898	4.8
201.01575	5.9
332.92673	5.3
381.07974	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74694	4.2
52.54145	5.1
56.63968	4.7
70.20046	17.5
102.04460	4.9
102.10322	4.8
167.52956	5.6
219.02577	5.6
278.10410	5.1
381.07959	100.0
382.08270	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	381.0267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01613	0.5
50.78519	0.5
51.59712	0.4
53.03954	0.6
55.93528	3.4
56.05031	0.5
56.94301	2.6
56.96555	0.7
60.04525	0.7
65.03928	1.8
68.94286	0.8
69.03421	3.2
70.06592	4.8
70.95846	2.0
71.15828	0.7
71.16159	0.8
71.93003	1.0
72.08144	1.3
72.93381	0.9
72.93781	13.0
74.95361	0.6
76.02196	0.8
79.60863	0.5
81.03413	2.8
82.95827	0.6
83.01284	0.5
84.04483	1.8
84.08138	6.5
85.02921	3.2
85.08463	1.2
86.09698	1.7
88.96899	1.4
90.94819	9.6
91.05478	15.5
95.04947	0.7
95.06091	0.5
97.02885	7.6
97.06527	2.0
99.04490	0.5
102.94773	0.7
104.96368	0.9
105.07040	0.6
107.04947	5.8
108.95879	2.6
109.02881	1.2
110.07178	0.7
114.66118	0.5
115.05431	0.8
116.96339	0.6
119.04940	38.9
120.05253	0.9
120.08095	2.6
121.06545	0.6
121.08433	0.8
127.03931	0.7
128.96332	7.6
129.10229	1.6
130.04964	0.9
130.08621	1.1
130.97922	0.6
131.04948	2.7
131.09030	0.6
132.95830	7.5
133.06442	0.9
134.97383	0.7
134.99605	0.5
136.95300	0.6
140.96359	1.2
143.04900	1.0
144.95850	4.8
145.02802	0.6
146.97404	7.4
147.04402	100.0
147.11316	0.7
148.04771	3.2
148.99042	0.7
150.96890	7.2
152.96335	5.3
156.95840	1.0
158.97392	11.5
162.02216	0.9
162.96883	8.6
163.04041	0.6
166.97986	0.8
168.95821	6.6
170.97397	6.1
171.04362	0.9
174.96870	1.5
174.98314	0.9
176.98454	10.2
178.97922	1.6
179.04837	1.3
184.95340	0.7
184.98944	0.9
186.96902	5.8
188.98482	1.4
189.05510	4.5
189.07159	1.0
190.97966	2.6
192.99501	2.1
194.97400	1.6
196.98917	0.6
198.96870	3.5
202.97917	5.4
204.96056	0.7
204.97954	2.0
206.97421	2.0
208.99002	3.1
211.00536	1.1
216.97910	6.3
218.97372	11.6
220.98930	10.3
222.96898	2.0
224.98425	1.9
232.99034	0.7
234.96873	1.2
234.98956	25.1
235.97684	1.3
236.98439	16.0
237.99045	0.6
244.99149	0.5
246.96899	2.3
247.00636	0.6
250.99895	0.7
252.97881	1.9
253.00124	3.8
254.99611	1.4
258.00607	1.6
258.10898	0.6
259.03400	0.6
259.97559	1.0
260.00040	0.9
260.98441	21.3
263.00024	0.6
264.97934	4.9
271.00525	7.1
272.98404	9.1
273.98743	0.6
274.99887	0.7
277.01785	0.6
278.99518	9.6
287.00024	9.1
287.02896	0.8
289.01724	0.9
290.99551	4.7
302.99478	3.3
305.01053	6.4
314.00790	0.6
314.99451	6.9
321.00577	5.1
323.02078	2.4
333.00549	10.5
337.04050	0.6
345.00528	9.3
356.02145	1.1
363.01590	36.9
363.14151	2.1
364.01877	1.4
381.02701	21.1
381.11322	4.6
381.15302	9.7
381.19635	0.9
381.25009	0.5
382.02972	1.1
399.03754	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.4
55.01851	1.4
55.05262	1.0
55.05507	14.3
56.05022	2.3
56.96567	1.2
57.03429	1.8
57.07069	18.4
58.06570	0.8
60.04509	2.4
61.02909	3.5
67.05473	1.3
69.03428	8.8
69.72279	5.1
70.06586	10.3
71.04982	8.6
71.06905	0.8
72.04517	1.1
72.08132	3.2
73.02874	1.6
74.05685	0.8
74.06061	4.8
78.30975	0.7
79.05494	1.1
81.03419	5.0
83.08620	1.5
84.04483	3.6
84.08127	3.0
85.02899	17.9
86.06046	2.6
86.09690	8.1
87.04463	2.3
87.08097	84.2
88.07622	21.8
91.05461	7.4
92.05849	1.1
93.07032	1.9
97.02882	7.2
98.09698	2.2
98.97592	1.9
99.04427	2.3
101.12145	0.9
107.04951	7.3
108.08113	1.2
109.02885	2.1
109.13644	0.7
114.09174	7.6
116.07082	1.6
116.98599	1.2
119.04900	1.1
120.08091	2.7
120.67564	0.7
121.06506	1.7
124.07551	0.8
127.03896	3.6
129.10191	1.7
132.10190	23.7
136.07639	1.2
142.08614	1.3
142.12248	6.4
145.02910	1.0
145.04956	2.1
147.04402	1.7
153.00156	1.0
170.07092	0.9
174.14799	0.8
177.00690	0.9
177.05528	1.2
179.04700	1.0
180.01126	1.3
181.03128	1.2
185.04227	2.0
186.14867	26.7
188.07114	1.9
202.18028	0.9
205.98817	1.2
208.04311	1.1
218.17499	57.7
233.16293	1.0
237.02756	0.9
250.12976	1.4
274.14267	1.4
276.14542	1.4
294.15521	4.2
348.16141	1.9
348.20187	28.9
349.20493	0.9
380.10358	3.8
380.22800	100.0
381.15085	3.9
381.23279	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
55.01861	5.5
55.05504	5.2
56.96543	1.8
57.03428	2.0
59.30013	1.3
60.99200	1.2
61.02924	2.9
65.03918	2.9
67.05502	12.3
68.05013	1.2
69.03437	13.5
69.07050	2.8
70.06578	5.1
71.04974	4.0
71.60511	2.7
72.08154	2.7
79.05473	4.2
81.03411	4.8
81.07064	6.1
83.04977	2.6
83.08612	1.5
84.08168	1.9
85.02897	15.1
86.03207	1.3
86.06062	1.5
86.09705	3.2
87.04467	1.9
88.04014	1.3
91.05476	82.2
92.05809	28.6
93.07035	22.7
95.04960	5.8
95.06091	4.2
95.08601	62.8
95.09232	1.9
97.02886	5.1
97.06518	1.7
98.97594	3.3
99.04450	5.5
101.05992	2.0
103.03937	2.8
103.05454	5.2
105.07011	3.9
106.07343	1.7
107.04957	19.8
107.08639	1.4
109.02845	3.4
109.05101	3.6
109.10156	21.3
111.08095	1.5
113.06000	3.4
116.98595	3.1
117.07028	1.3
118.07326	1.5
119.08573	22.0
120.08090	4.8
121.06501	98.5
127.03898	6.2
128.04295	1.2
129.07008	2.1
130.07301	2.3
131.08528	1.3
133.05151	3.2
135.00810	1.2
137.05981	2.8
137.09607	59.8
140.07040	1.5
144.08870	3.1
145.04947	5.2
146.06897	1.5
147.08057	2.7
148.07556	22.9
150.07744	100.0
152.05672	38.5
153.04071	3.8
155.10666	24.2
158.99577	1.3
165.09116	29.3
172.08376	2.5
174.06427	1.6
177.00781	1.9
179.20692	1.6
180.08646	2.6
183.10167	22.3
194.08131	30.3
200.07881	4.2
201.11211	74.3
214.14287	1.8
219.01689	2.1
241.09958	1.5
243.11244	1.7
257.12851	2.9
275.13959	1.9
327.07419	1.7
334.20190	2.6
362.14325	1.6
362.18442	3.0
362.21951	30.1
369.08374	1.8
380.14761	1.6
380.23297	35.2
400.90463	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.01864	4.0
55.05503	2.5
57.03428	2.4
61.02925	1.9
65.03920	1.6
67.05499	10.1
69.03430	11.6
69.07072	2.3
69.61778	9.2
70.06573	2.7
71.04979	4.7
79.05491	2.4
81.03400	3.7
81.07050	3.6
83.08571	1.3
85.02886	14.4
86.09709	2.2
91.05476	48.1
92.05816	17.1
93.07035	18.8
95.04955	4.5
95.08598	56.6
96.14947	1.0
97.02872	4.1
98.21473	1.8
98.97584	1.4
99.04449	4.8
103.05497	5.3
105.07059	1.6
107.04953	8.6
107.08597	1.6
109.02885	1.5
109.05154	2.1
109.10146	20.8
111.08038	1.3
113.05988	1.8
116.21559	1.1
116.98595	1.5
117.07014	1.2
119.08571	17.7
119.36780	1.1
121.06493	100.0
127.03913	2.9
129.06972	1.8
133.05048	2.2
135.03009	1.2
137.05920	1.9
137.09608	53.0
143.08580	1.9
145.04936	4.9
145.06311	1.3
147.08051	1.5
148.07559	21.2
150.07744	70.4
152.05667	28.0
153.04057	3.7
155.10651	20.1
165.09111	28.8
165.10481	1.9
180.08662	2.8
183.10144	21.9
194.08115	31.5
200.07837	2.0
201.11203	81.6
243.11380	1.5
257.12866	2.6
260.14932	1.7
274.13120	1.8
275.13992	3.7
290.72607	1.2
334.20123	2.8
362.14154	1.7
362.18286	2.5
362.21915	24.0
380.23340	32.3
381.17795	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.2
57.07077	4.2
66.19300	0.7
67.05473	1.1
69.07066	18.1
70.04077	8.6
70.07840	0.8
71.59106	0.6
71.59586	1.4
78.19371	0.7
81.59611	0.7
83.04846	7.9
85.20208	0.7
95.08605	1.3
96.05616	34.8
97.06401	4.6
100.05106	4.2
105.06985	0.8
109.06376	1.5
110.03519	1.5
110.07121	3.7
114.06637	4.1
115.07566	2.1
119.08598	0.8
123.07935	2.9
129.01015	1.6
138.10262	100.0
139.10620	1.2
141.00986	1.1
150.25873	0.7
164.33092	0.8
168.07634	0.8
191.00104	0.7
197.07312	5.2
197.45113	0.8
199.06995	2.4
201.08464	0.7
207.52885	0.7
362.16095	1.3
380.17355	51.2
381.17758	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	380.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24051	0.2
53.03929	0.8
55.01861	0.6
55.05472	0.3
56.05024	0.4
56.96548	0.3
61.02903	0.2
61.57731	0.2
69.07061	0.4
70.06590	1.8
71.59625	0.3
72.08134	1.0
74.02427	0.2
74.06063	0.2
79.05463	1.1
81.03410	0.5
84.04496	0.6
84.08131	1.2
85.02887	0.7
86.06029	0.3
86.09699	1.7
91.05468	1.0
94.06561	0.4
95.04958	2.0
97.06528	0.2
97.97012	0.2
98.97583	0.3
102.05498	0.2
103.05499	0.2
104.07109	0.6
105.04510	0.2
105.07023	0.4
107.04945	100.0
108.05276	0.8
108.08104	12.8
110.07147	0.4
116.79075	0.2
117.03379	0.3
118.06533	0.2
119.04922	0.6
120.08091	1.7
121.02809	0.2
122.06030	0.2
122.09708	0.3
127.03947	0.3
128.10922	0.2
129.10216	0.7
136.07559	0.9
138.09116	0.4
138.10185	0.3
144.04382	0.3
145.02820	0.5
146.05981	1.0
147.04431	1.7
150.09120	2.2
152.05664	0.2
153.73450	0.2
160.07549	1.0
161.05981	0.3
162.09122	0.2
166.08609	0.3
168.10188	24.9
169.10576	0.3
170.06001	0.3
171.04352	0.4
173.05922	0.2
177.05473	0.3
188.07054	3.4
189.05496	0.6
195.39230	0.2
200.10780	0.8
200.98378	0.3
206.08067	0.4
211.07155	0.2
218.13853	0.5
259.14542	0.3
261.00479	0.3
267.79245	0.3
272.12936	1.3
274.14346	26.5
275.14722	0.4
318.19073	0.4
380.10110	0.4
380.18365	6.3
381.15244	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03460	0.8
55.02996	0.3
55.05503	0.3
57.07072	1.3
67.05490	0.3
68.05032	0.2
69.04544	0.4
69.07063	4.2
69.87637	0.8
70.04064	2.2
70.07829	0.3
82.04079	0.2
83.04839	0.8
88.02926	0.2
93.07064	0.2
94.06523	0.2
95.08601	0.2
96.05611	39.1
97.06435	0.3
98.07182	0.6
100.05095	2.0
107.04913	0.3
110.07158	1.5
111.09171	0.2
114.06647	9.8
115.07589	0.3
122.07131	0.2
123.07966	0.7
126.99538	0.3
129.01051	0.3
138.10257	100.0
139.10599	1.1
141.01065	0.4
149.09676	0.2
155.02551	0.2
159.61209	0.2
197.07275	1.1
251.16429	0.2
252.17076	1.2
270.73370	0.2
281.07382	0.4
306.08066	0.4
324.09238	1.5
335.18411	0.2
362.16266	0.9
380.17340	10.1
381.17899	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.2
57.07077	4.2
66.19300	0.7
67.05473	1.1
69.07066	18.1
70.04077	8.6
70.07840	0.8
71.59106	0.6
71.59586	1.4
78.19371	0.7
81.59611	0.7
83.04846	7.9
85.20208	0.7
95.08605	1.3
96.05616	34.8
97.06401	4.6
100.05106	4.2
105.06985	0.8
109.06376	1.5
110.03519	1.5
110.07121	3.7
114.06637	4.1
115.07566	2.1
119.08598	0.8
123.07935	2.9
129.01015	1.6
138.10262	100.0
139.10620	1.2
141.00986	1.1
150.25873	0.7
164.33092	0.8
168.07634	0.8
191.00104	0.7
197.07312	5.2
197.45113	0.8
199.06995	2.4
201.08464	0.7
207.52885	0.7
362.16095	1.3
380.17355	51.2
381.17758	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	380.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	0.5
55.05508	2.4
56.96559	1.0
57.07072	31.4
59.99196	0.5
61.62367	0.4
67.05502	1.7
69.07063	100.0
69.25292	2.0
69.25723	2.9
70.04067	5.0
70.06612	0.4
70.07447	0.8
70.07841	6.3
73.08028	0.5
79.05500	0.4
81.07049	1.0
85.06519	0.8
91.05466	0.8
93.07038	0.7
95.08592	0.6
96.05608	1.0
96.08102	0.5
97.06400	0.8
99.00018	3.7
103.03146	0.5
105.07030	0.7
107.04935	1.1
109.06487	0.5
109.07674	0.7
111.04455	0.8
113.01553	2.3
115.07558	14.0
119.08594	0.8
125.01525	0.9
126.99458	9.2
129.01025	16.4
136.05066	0.5
136.08691	2.5
138.10251	8.5
139.00594	1.1
141.01016	18.2
148.08694	1.2
150.10263	0.9
151.11009	2.3
155.02574	8.2
160.99246	1.1
161.09610	1.1
178.09758	5.8
183.09976	0.8
190.09850	1.0
197.07277	44.7
198.07497	0.5
202.93454	0.4
203.34431	0.5
206.16518	2.2
225.06770	2.6
234.15990	3.4
235.16791	2.0
252.17062	3.9
257.10477	0.6
264.15991	0.7
265.09940	1.0
266.00180	0.9
280.06747	0.7
283.08621	1.2
301.09583	0.6
324.09195	2.1
330.61041	0.4
362.16257	80.2
363.16742	3.3
380.17355	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	380.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03460	0.8
55.02996	0.3
55.05503	0.3
57.07072	1.3
67.05490	0.3
68.05032	0.2
69.04544	0.4
69.07063	4.2
69.87637	0.8
70.04064	2.2
70.07829	0.3
82.04079	0.2
83.04839	0.8
88.02926	0.2
93.07064	0.2
94.06523	0.2
95.08601	0.2
96.05611	39.1
97.06435	0.3
98.07182	0.6
100.05095	2.0
107.04913	0.3
110.07158	1.5
111.09171	0.2
114.06647	9.8
115.07589	0.3
122.07131	0.2
123.07966	0.7
126.99538	0.3
129.01051	0.3
138.10257	100.0
139.10599	1.1
141.01065	0.4
149.09676	0.2
155.02551	0.2
159.61209	0.2
197.07275	1.1
251.16429	0.2
252.17076	1.2
270.73370	0.2
281.07382	0.4
306.08066	0.4
324.09238	1.5
335.18411	0.2
362.16266	0.9
380.17340	10.1
381.17899	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76310	0.2
54.03456	0.6
55.03015	0.2
55.05511	0.2
57.06826	0.2
57.07079	3.0
62.89181	0.2
65.60270	0.2
67.05493	0.4
69.07063	15.3
70.04072	16.8
70.07822	0.4
70.55302	0.5
72.33275	0.2
79.05457	0.2
83.04837	2.3
84.05602	0.2
84.08125	0.4
89.05999	0.2
92.73878	0.2
94.06565	0.5
96.05610	22.8
97.05906	0.2
97.06407	2.0
98.03535	0.5
98.07175	5.3
99.00007	0.3
100.05100	1.8
107.04951	0.2
108.05611	0.5
109.06368	0.2
110.03515	1.8
110.07154	2.7
111.04409	0.2
113.01524	0.2
113.33992	0.2
114.06644	3.5
115.07580	0.8
122.07138	0.4
123.07927	5.4
124.08707	3.9
126.99476	0.6
129.01018	1.5
138.10254	100.0
139.10593	1.0
141.01015	1.8
150.10271	0.3
155.02585	0.7
156.11346	0.2
166.09743	0.3
167.10547	0.4
168.11391	0.4
178.09703	0.2
182.09251	2.8
196.10799	3.0
197.07277	3.8
222.04353	0.3
225.06717	0.2
238.03767	1.1
252.17038	0.6
294.09973	0.6
362.16354	0.8
380.17316	71.8
381.17633	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03456	1.0
57.07066	1.9
57.07301	0.3
69.07063	11.0
70.04074	8.1
79.80365	0.3
81.07063	0.4
82.04037	0.3
83.04345	0.5
83.04839	8.6
84.05572	0.7
91.05444	0.4
92.69847	0.3
92.75572	0.3
96.05608	31.7
97.06395	4.4
100.05096	4.0
105.07043	0.3
109.06412	0.7
110.03528	0.6
110.07161	3.2
111.58601	0.4
113.01509	0.4
114.06635	4.9
115.07614	0.5
123.07921	2.6
126.99486	0.5
129.01012	1.1
138.10254	100.0
139.10580	1.0
141.00999	1.1
145.26743	0.3
155.02536	0.7
155.19098	0.3
168.07727	0.4
196.10815	0.4
197.07275	2.7
252.16988	0.5
362.16348	1.1
380.17331	49.0
381.17603	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	380.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03466	0.6
55.05515	0.2
57.07072	2.3
67.05493	0.2
69.04544	0.2
69.07063	12.9
70.04070	14.8
70.07840	0.4
71.12070	0.4
83.04842	1.8
84.05605	0.2
84.08156	0.4
94.06574	0.3
96.05605	19.4
97.06390	1.7
98.03523	0.2
98.04992	0.1
98.07168	5.4
100.05096	1.7
105.06983	0.2
106.07330	0.2
108.05607	0.4
109.06420	0.3
110.03518	1.0
110.07153	2.6
111.09186	0.2
113.01546	0.2
114.06638	3.2
115.07557	0.7
121.10067	0.1
122.07107	0.3
123.07924	4.9
124.08698	2.2
126.99461	0.8
128.04567	0.2
129.01009	1.2
131.12520	0.2
138.10249	100.0
139.10632	1.3
141.01004	1.7
150.10313	0.3
155.02594	0.5
157.06314	0.2
168.11284	0.3
182.09261	1.5
196.10814	1.6
197.07266	2.9
199.07005	0.3
222.04285	0.3
238.03789	0.6
249.14189	0.1
252.17044	0.6
294.10153	0.2
362.16156	0.6
380.17307	69.9
381.17667	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	380.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03465	0.9
55.02980	0.2
57.07076	0.9
61.33176	0.2
67.05488	0.2
68.05016	0.1
69.04552	0.2
69.07062	2.9
69.30619	1.5
70.04070	2.1
70.07835	0.1
77.88432	0.1
81.07043	0.3
83.04408	0.2
83.04835	0.9
84.08126	0.3
95.08634	0.1
96.05610	38.6
97.06442	0.3
98.07179	0.6
100.05093	2.2
107.04941	0.3
108.33881	0.2
109.06461	0.2
110.07153	1.7
111.09186	0.3
114.06650	10.2
115.07590	0.2
122.07125	0.3
123.07947	0.8
126.99477	0.3
129.01025	0.2
134.68422	0.2
135.56279	0.1
136.08591	0.2
138.10257	100.0
139.10605	0.9
141.01018	0.4
156.11290	0.3
194.18971	0.2
197.07243	0.7
232.66933	0.1
252.16968	1.1
255.09798	0.2
311.16068	0.3
348.26099	0.4
380.17325	7.5
381.17587	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.1
55.01865	0.4
55.05522	0.3
56.96560	0.5
65.03937	3.6
67.05476	0.6
68.99770	0.2
69.03445	0.2
69.07065	0.3
69.26946	1.0
69.27371	0.7
70.06590	4.6
71.01333	0.2
77.32774	0.2
79.05473	0.7
81.03426	0.2
81.07050	0.5
83.08636	0.2
84.48030	0.2
85.18539	0.2
87.01250	0.2
88.00321	0.2
91.03951	0.2
91.05479	0.6
93.07053	0.4
94.06563	1.6
95.04951	0.3
95.08577	0.2
97.06573	0.2
98.06064	0.2
98.20776	0.4
105.07043	0.2
106.06556	2.2
107.04945	8.3
108.08102	0.2
111.04439	3.5
116.40990	0.1
116.98545	0.2
119.08583	0.3
120.04465	0.2
121.02859	100.0
122.03181	1.6
122.06029	0.7
136.07573	5.4
140.07019	0.3
148.07558	2.2
154.08620	1.7
160.97354	0.2
177.67360	0.2
200.10693	10.0
201.11000	0.3
234.87018	0.2
242.11737	16.2
243.12135	0.7
257.53958	0.2
260.12814	5.7
261.13217	0.2
274.10703	1.1
339.78119	0.2
345.99918	0.3
362.13803	0.7
375.03979	0.4
375.11606	0.2
379.94556	0.2
380.14896	1.6
380.28351	0.8
381.13971	0.2
393.04877	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.173
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36814	0.7
57.07076	6.9
67.05529	0.9
69.06705	1.4
69.07059	13.2
70.04070	15.2
71.08646	1.0
83.04845	2.1
89.06014	2.3
96.04979	1.0
96.05602	18.6
96.06177	1.4
97.06440	1.1
98.07174	5.1
100.05105	1.6
110.07171	1.9
114.06664	2.5
115.07552	0.8
123.07915	4.2
124.08728	1.4
129.01019	0.9
133.08595	1.2
138.10252	100.0
139.00371	0.8
139.10565	0.9
141.01068	1.1
188.89169	0.8
195.12321	1.1
196.10719	1.2
197.07274	2.7
202.90065	0.7
209.38087	0.8
229.38295	1.0
253.50917	0.8
296.11633	0.9
319.28049	0.8
344.64301	0.8
362.16113	1.5
380.17303	61.9
381.17627	2.6
390.12689	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.2
55.01859	0.3
55.05498	0.2
55.36958	0.1
56.96564	0.2
57.03428	0.3
57.07078	0.2
57.49041	0.1
57.57751	0.1
61.02896	0.3
65.03938	3.7
67.05489	0.4
68.99767	0.3
69.03419	0.3
69.07059	0.2
69.32062	0.3
69.32474	1.2
70.06589	1.8
71.01354	0.3
72.08165	0.2
73.02904	0.2
76.99741	0.2
79.05488	0.7
81.03397	0.3
81.07035	0.5
83.04977	0.2
84.04461	0.1
85.02890	0.3
87.04461	0.2
91.03986	0.2
91.05469	0.3
93.03384	0.3
93.07030	0.4
94.06557	1.3
95.04966	0.4
95.08585	0.1
97.02884	0.3
98.06061	0.2
105.07027	0.3
106.06540	2.5
107.04948	9.1
108.05249	0.2
109.02845	0.3
109.10207	0.1
111.04437	4.0
119.08590	0.3
120.08108	0.2
121.02859	100.0
122.03198	1.2
122.05987	0.3
127.69691	0.1
131.08549	0.2
133.10127	0.2
136.06462	0.3
136.07567	4.9
138.10176	0.3
140.07008	0.1
148.07565	2.2
154.08627	1.7
193.12282	0.2
200.10684	9.7
201.11014	0.3
242.11739	16.9
243.09413	0.1
243.12083	0.6
258.15042	0.2
260.12808	5.1
274.10696	1.0
332.01794	0.1
343.11575	0.2
346.00143	0.3
362.13599	0.8
362.27298	0.2
363.12637	0.2
375.03781	1.2
375.11273	0.3
379.95148	0.2
380.14835	1.7
380.20251	0.3
380.28342	1.0
393.04965	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1488
Annotation	N-Methyl-2,3,7,8-tetramethoxybenzophenanthridine-6(5H)-one
Peak:m/z	Relative Intensity
55.01875	0.4
55.05504	0.3
57.03410	0.3
61.91655	0.2
65.03934	3.5
67.05457	0.2
69.07049	0.3
69.57275	1.6
70.06577	0.8
72.08128	0.2
74.11158	0.2
79.05470	0.5
81.03403	0.4
81.07068	0.3
82.72859	0.3
91.05473	0.5
93.07018	0.6
94.06554	1.4
95.08610	0.4
101.19318	0.2
105.07030	0.3
107.04948	17.7
108.05242	0.4
111.04440	4.7
116.02529	0.2
116.04901	0.2
119.08638	0.3
121.02859	100.0
121.06491	0.9
122.03166	1.7
136.07568	2.0
138.05487	0.4
138.09151	0.3
138.10254	0.5
154.08629	1.5
164.07095	1.1
168.06548	3.8
180.06606	0.4
192.06494	0.3
200.10654	0.6
214.08638	0.3
244.09760	0.3
256.09821	0.4
260.12872	1.1
274.10690	5.5
286.10730	1.3
320.12756	0.4
332.03586	0.3
340.06140	0.2
344.18430	0.3
362.23071	0.4
374.45474	0.3
375.05621	1.7
376.05582	0.4
380.14896	47.4
381.15234	3.1
393.06665	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.284
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
52.92863	5.1
55.05506	23.5
57.07069	14.3
67.05499	22.4
68.46136	6.4
69.07074	28.8
71.08614	7.0
71.60405	7.3
79.05478	11.3
79.37064	5.4
81.07052	42.8
83.04971	6.7
85.06522	7.6
89.34879	6.7
91.05481	15.5
93.07057	32.9
95.08622	30.7
97.06525	14.8
105.07026	16.8
107.08589	36.7
108.79124	7.0
109.06523	13.1
109.10152	14.9
111.04444	35.4
111.08040	7.5
119.08595	6.8
121.06535	7.6
121.10139	12.3
123.08079	12.0
123.11704	10.4
125.06001	20.3
127.07599	9.7
133.10069	10.4
135.08083	22.5
135.11714	17.1
137.05980	8.2
138.06561	5.8
138.10281	32.9
145.10217	7.3
147.11568	6.2
149.13196	7.5
165.12781	10.3
166.85707	6.5
189.12645	7.1
221.19035	9.2
231.17578	6.2
305.24695	75.8
306.25143	6.2
314.77136	6.3
319.26266	27.4
347.25803	100.0
351.28854	29.4
361.27353	7.6
379.28580	46.1
380.17334	25.9
400.05231	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	379.226
Annotation	17beta-(Benzoyloxy)-B-norandrost-4-en-3-one
Peak:m/z	Relative Intensity
53.03935	2.7
55.01854	3.4
55.05513	27.8
57.03429	4.1
57.07066	2.5
61.01150	26.3
67.05517	9.8
69.03413	2.2
69.07052	4.0
70.06593	11.7
71.58090	2.0
72.04502	3.9
72.08138	6.6
75.20847	1.7
78.03751	3.5
79.05478	7.0
81.07062	8.7
83.04957	2.7
83.08144	3.1
83.08618	52.4
84.08139	7.6
85.06535	2.1
86.05584	2.8
86.06068	41.0
86.09692	7.9
91.05494	8.2
91.33470	1.6
93.07044	4.3
95.04960	6.3
95.08578	5.6
97.10134	2.5
98.06070	10.4
98.65355	1.7
101.09644	7.9
102.03745	6.0
103.05453	1.7
105.07014	5.2
107.04953	12.5
107.08619	1.7
109.06493	3.6
109.10136	2.0
110.07173	3.3
111.04453	1.7
113.05982	4.1
114.09129	2.1
115.08691	21.2
115.82003	1.8
117.07020	2.4
119.08571	2.6
120.04819	2.7
120.08081	4.9
121.06529	3.8
121.10089	2.3
123.04421	3.4
123.08040	2.0
124.07555	2.3
125.09632	1.8
129.10231	2.8
131.04898	1.9
131.06308	2.2
131.08588	2.8
132.04810	3.0
133.06447	3.6
135.08052	4.2
142.08624	5.8
143.08908	2.1
145.06560	2.2
147.08044	1.9
149.05984	1.7
149.07402	5.6
158.08432	2.9
160.57948	1.9
161.09950	34.5
163.11250	1.9
175.07550	1.9
182.15465	2.2
184.07361	2.9
189.09073	1.7
210.14842	2.5
222.09113	7.6
249.16327	100.0
250.16530	2.4
264.12534	2.0
269.15286	2.0
274.11987	2.1
287.16354	11.4
293.52963	1.6
361.21564	38.3
379.12912	2.3
379.21133	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	379.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
55.01881	0.4
55.05509	3.1
55.93521	0.6
56.05025	1.1
56.96549	1.3
57.03429	1.5
57.07069	1.0
58.06599	4.6
61.02920	1.4
61.04047	0.5
63.83635	0.4
67.05497	1.9
69.03416	0.8
69.07063	2.1
70.04077	0.6
70.06599	0.8
71.60300	0.7
72.04494	0.5
72.08152	6.4
72.93775	0.9
73.02921	0.7
78.67271	0.4
79.05482	2.7
80.82937	0.4
81.03416	1.3
81.07048	5.9
83.08618	2.5
84.08150	3.0
85.02896	1.2
85.06493	0.4
86.05648	0.3
86.06059	12.4
86.09699	63.8
87.10036	0.8
90.94833	0.7
91.03968	0.6
91.05474	1.8
93.07046	1.7
95.04971	1.3
95.08617	1.1
98.09681	1.8
99.08099	0.7
105.07036	1.5
107.04958	1.7
107.08604	0.9
109.10154	1.6
111.05529	0.5
112.11236	0.7
114.12843	0.9
115.05414	0.7
115.08668	1.0
116.96375	0.7
119.08585	1.0
121.06470	0.6
121.10143	0.8
125.01554	9.3
127.08669	2.9
128.10706	11.4
129.06569	25.2
130.07779	4.6
133.10164	0.7
139.03079	1.6
140.10724	0.8
141.10223	8.3
145.10066	0.9
146.97498	0.6
147.08095	0.6
151.03090	2.0
153.10202	0.9
159.11284	13.3
165.04660	26.4
171.11279	22.6
182.07329	1.0
196.16971	1.0
229.07416	1.1
236.11954	4.8
238.13570	5.6
247.08609	1.2
273.04190	1.1
273.18381	0.6
280.14597	5.8
323.15167	3.4
361.11484	0.5
379.21445	100.0
380.21744	5.2
380.25638	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.161
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	0.6
69.94742	2.7
70.06591	88.0
71.04987	1.4
71.06941	0.8
72.08156	1.3
79.05524	0.6
84.08124	0.7
85.02937	0.4
88.03987	1.8
95.05013	0.6
98.03536	16.5
98.21479	0.7
98.97604	1.5
107.04958	15.5
109.76048	0.5
113.07130	0.8
116.07091	22.2
116.98671	0.7
118.18913	0.5
136.08682	0.6
140.04543	6.4
147.04436	1.3
150.06638	1.8
152.08258	1.0
158.05617	24.9
158.97362	0.7
164.08195	7.6
167.85321	0.5
168.07626	1.1
169.02583	0.6
176.98384	0.5
182.09258	1.4
190.02304	0.5
192.07645	0.6
196.07156	4.0
196.18016	0.5
210.08728	22.7
212.10292	0.7
224.47850	0.5
228.09749	4.0
233.02737	1.7
234.98987	1.5
238.08284	0.8
244.53819	0.5
255.10869	2.3
256.09293	3.6
273.11935	100.0
274.12222	1.9
372.59372	0.5
379.03018	0.7
379.16159	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
67.81661	0.8
69.03410	1.6
70.02940	2.5
70.06594	2.4
70.28310	1.9
70.28709	1.9
72.08132	1.4
84.08135	3.2
91.50785	0.8
98.20820	0.9
101.00867	6.1
105.26719	0.8
113.03551	1.1
115.91177	0.9
119.01922	23.5
131.01941	5.7
133.03491	2.1
137.02972	5.8
143.01889	14.7
145.03439	3.0
147.05037	9.6
149.02956	2.2
153.03958	2.7
155.01924	1.7
161.02962	41.2
162.03093	1.6
165.06104	3.0
171.05019	71.3
172.05186	1.4
173.02956	6.5
177.02455	2.4
183.05080	3.2
189.02437	2.4
189.06076	100.0
190.06250	2.5
191.04013	2.7
201.02499	1.5
201.06078	9.5
203.03987	12.5
207.07076	0.9
212.07675	2.7
213.06200	1.2
219.03493	1.2
219.07184	2.8
221.05058	2.3
225.03650	1.5
231.07140	31.4
232.07260	1.1
243.03444	1.1
255.04683	1.2
259.06583	6.8
261.08054	4.8
263.06073	6.1
265.04126	1.9
272.52481	0.8
319.08777	0.9
337.10086	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.01870	2.7
57.03436	0.9
61.02929	0.3
65.03936	2.4
67.80634	0.3
68.99795	0.3
69.03413	1.8
70.06583	0.9
70.25721	0.9
71.01334	0.6
71.04995	0.7
73.02916	0.4
79.05470	0.4
81.03409	2.2
81.07050	0.3
83.04972	0.4
84.04504	0.3
84.08101	0.4
85.02898	5.1
86.09663	0.3
87.04433	0.3
91.05473	100.0
92.05809	0.7
93.07063	0.4
97.02869	1.6
97.06552	0.4
98.06015	0.3
99.04449	2.7
103.03929	3.8
103.05423	0.5
105.07043	2.1
107.04932	1.2
109.02869	2.7
115.05451	1.0
117.07005	5.4
119.08557	0.7
120.08101	0.4
121.06551	0.6
122.06679	0.3
127.03908	4.5
128.06210	2.6
129.05470	0.7
129.06992	6.3
131.04953	0.4
131.08575	0.8
133.06491	1.4
137.05965	0.7
141.06973	0.7
143.08559	3.5
145.04968	3.4
145.06483	4.3
147.08009	1.4
149.05963	0.5
150.07785	0.3
153.06982	1.4
155.04909	1.7
155.06044	0.6
157.06493	1.8
159.08043	0.5
161.05917	0.5
162.04124	0.5
169.06528	0.6
171.08040	3.9
173.05975	3.6
175.07512	1.9
181.06517	0.9
187.05969	0.6
199.07521	6.8
217.08623	4.1
218.96233	0.3
234.13295	0.4
235.09669	0.7
259.09570	0.4
260.11490	0.4
277.10693	0.8
303.78528	0.3
327.07651	0.3
372.45471	0.2
379.21533	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1574
Annotation	Abafungin
Peak:m/z	Relative Intensity
50.91169	0.3
53.23523	0.3
56.96556	0.6
66.22004	0.3
70.06590	1.8
70.75084	1.0
72.93803	0.6
74.06062	0.6
84.08147	0.5
85.02901	0.5
86.09694	0.6
90.94835	0.3
91.05462	0.4
98.97564	0.5
107.04934	2.0
109.76273	0.4
110.07124	0.3
113.42670	0.4
119.04912	1.2
122.06009	0.7
130.23161	0.3
132.95799	0.5
134.06012	1.3
134.99678	0.4
144.95831	0.4
147.04420	2.0
150.05490	0.9
152.07033	2.4
153.07388	0.5
158.97366	0.8
177.00772	0.4
180.80232	0.3
182.06340	0.4
184.49979	0.4
216.97972	0.6
217.10477	10.1
228.04863	0.4
233.02654	2.1
234.98993	4.3
235.99196	0.3
237.02745	0.4
253.00024	0.8
273.07236	0.4
273.11884	0.7
276.92004	0.3
289.03714	1.1
319.04730	0.8
335.12732	0.5
354.19330	0.3
379.15726	100.0
380.16058	2.6
384.43402	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28036	1.5
56.96553	3.2
70.06580	5.0
70.14890	7.1
72.93784	1.5
91.05495	8.0
94.82250	1.4
98.21454	2.0
100.13783	1.5
101.07140	1.8
107.04945	8.2
110.07168	3.9
119.04937	19.9
147.03221	2.8
147.04402	51.7
150.96831	1.9
159.77966	1.3
164.86266	1.8
169.01180	2.0
169.02579	17.4
175.89270	1.5
178.39189	1.7
181.01729	1.9
187.03821	1.7
187.93399	1.6
194.53603	1.6
223.04401	2.9
233.02672	100.0
234.99030	9.3
247.04504	2.1
265.05576	3.7
267.32611	1.8
272.16000	2.7
273.16171	1.7
289.03610	2.3
354.23792	1.7
379.06308	22.5
379.10541	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70350	0.7
59.43987	0.7
66.04562	0.9
91.05450	5.2
98.20776	2.0
107.04936	1.3
150.07722	1.1
227.05205	1.6
271.04202	2.0
293.09888	5.3
306.02682	0.8
317.09906	1.5
335.10986	34.4
336.11374	1.7
379.09952	100.0
380.10153	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	379.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33964	0.8
55.05499	1.1
56.05017	1.4
60.04529	0.8
65.03934	1.5
67.05506	0.8
69.03418	1.2
69.07056	1.0
70.06584	7.5
70.16856	2.9
72.08145	3.2
72.39960	0.7
72.79265	0.7
74.02433	3.0
74.06067	0.8
79.05461	1.3
81.07088	1.0
84.04529	4.1
84.08137	3.2
85.02899	1.9
86.09683	4.2
87.05569	0.8
91.05474	16.2
93.07043	1.1
94.06513	0.8
95.04959	1.1
95.08575	0.7
97.02878	1.2
98.21434	0.9
100.93543	0.7
102.05557	1.0
107.04951	6.2
110.07158	1.2
111.04490	0.8
111.05456	0.7
113.34138	0.7
116.01704	1.0
116.98622	0.9
117.03367	0.9
119.01941	1.3
120.08060	1.4
121.02861	20.1
121.06367	0.7
127.00006	3.5
129.10255	1.8
130.04984	2.6
130.08626	1.7
145.02844	2.1
150.07753	32.8
150.09084	2.3
151.08194	13.5
162.04091	1.4
162.26538	0.7
164.77872	0.7
167.03201	1.0
177.05438	3.3
186.05388	0.8
187.07509	0.7
189.09094	0.9
196.09613	4.4
197.10219	0.8
200.12849	2.7
217.04727	1.0
221.40326	0.8
227.05289	1.4
241.11908	3.5
244.09471	1.4
259.12894	4.0
271.04254	2.6
275.08917	9.8
293.09995	3.5
311.09790	1.0
315.67807	0.7
335.10971	11.3
372.14896	0.7
379.09988	100.0
379.21555	36.4
380.10278	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	378.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	0.3
67.05499	0.6
68.63358	0.2
69.03415	0.3
69.07064	0.2
70.06591	1.2
71.04978	0.3
71.31818	0.4
72.08135	0.3
77.07684	0.2
79.05470	0.6
81.03410	0.5
81.07043	0.5
83.08620	0.2
84.08128	0.3
85.02895	0.6
86.09690	0.4
91.05466	0.5
93.07005	0.4
94.04034	0.5
95.04984	0.3
95.06081	0.2
97.30048	0.2
105.07014	0.2
107.04956	2.1
107.08612	0.3
108.05611	0.3
109.05115	4.3
110.07155	0.3
120.08061	0.3
123.06713	0.3
126.09077	0.2
130.12270	0.3
133.05098	2.2
135.05406	0.3
137.04556	0.2
148.50177	0.2
150.07738	100.0
151.08084	0.6
164.07045	0.2
200.05598	0.2
211.13155	0.3
228.15996	0.2
272.18542	0.4
334.18713	0.3
360.20377	1.5
378.21338	83.2
379.21631	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67308	0.2
55.05518	0.3
56.96555	0.4
57.03416	0.4
60.04492	0.3
67.05497	0.4
69.03414	0.4
69.07038	0.6
70.06590	3.3
71.59442	0.5
72.08149	0.6
74.02445	0.5
79.05480	0.5
81.03396	0.4
81.07053	0.7
82.04013	0.4
84.04484	1.0
84.08122	1.2
85.02882	1.1
86.06065	0.3
86.09688	1.1
87.04462	0.3
91.05472	0.7
93.07032	0.6
94.04047	0.5
95.04945	0.6
95.06047	0.4
95.08593	0.3
103.02149	0.3
105.07024	0.4
106.06647	0.3
107.04951	3.0
109.05125	4.3
110.07130	0.4
116.07088	0.5
116.98620	0.3
118.06538	0.3
120.08083	0.4
121.02856	3.3
123.06676	0.4
129.10220	0.3
130.04932	0.3
131.04961	0.6
131.08458	0.3
133.05107	2.1
135.05437	0.3
136.07529	0.3
150.07739	100.0
151.08165	0.3
177.00743	0.4
177.05420	0.4
196.09738	0.8
241.11789	0.6
243.08757	0.5
259.12878	0.9
349.49197	0.3
360.20218	1.5
378.21338	84.1
379.21664	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	378.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.05501	1.4
57.03421	1.0
62.97539	0.6
64.99900	0.5
67.05494	1.7
69.03432	1.4
69.07055	1.6
69.60956	4.1
70.04081	0.7
70.06595	3.2
71.04995	3.7
72.08144	1.9
79.05466	2.7
81.03431	0.6
81.07037	2.7
83.04977	1.0
83.08643	0.7
84.04475	0.8
84.08119	0.8
85.02898	4.9
86.09732	0.6
87.04463	1.6
91.05481	2.5
93.07037	1.8
95.04970	2.9
95.06057	0.7
95.08600	3.0
97.02908	1.0
97.06509	1.0
97.10140	0.7
103.05468	2.2
105.07019	1.9
106.06522	0.7
107.04945	100.0
107.08577	1.3
108.05276	2.2
109.02821	0.7
109.06483	0.8
109.10204	0.6
117.06990	0.6
118.06479	0.6
119.04900	1.5
119.08524	1.2
120.08095	90.7
121.06503	0.9
121.08407	1.5
123.04410	1.8
129.05461	0.7
131.04918	2.4
133.10094	1.1
136.06187	2.8
136.07587	3.9
146.97452	0.5
147.04422	1.0
149.05951	2.0
150.07744	0.7
161.13225	0.8
162.05595	0.5
165.05470	2.9
166.08621	93.8
167.08948	1.5
182.08167	3.1
190.37331	0.6
193.12297	0.8
248.16367	1.2
272.12729	5.0
299.05478	1.6
311.85971	0.5
378.15442	1.0
378.22302	3.8
378.26379	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	378.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38786	1.4
53.76774	1.4
55.01856	2.9
55.05497	5.5
56.96547	2.8
57.07071	34.9
58.23140	1.3
66.10318	1.1
67.05498	11.2
68.61586	1.3
69.03403	1.8
69.07063	100.0
70.06577	3.2
70.07834	5.6
70.15685	2.2
70.16082	3.3
71.08630	11.5
74.45002	1.4
78.06666	1.3
79.05487	2.4
80.05006	1.5
81.07046	3.2
83.04938	2.5
83.08626	2.0
91.05447	3.5
93.07053	2.2
97.06527	2.7
98.09695	11.6
98.99997	4.0
99.08114	6.8
105.07020	2.1
108.08128	7.0
108.08772	1.3
109.10132	9.5
109.27043	1.3
113.01554	3.3
115.07553	17.6
116.98514	1.4
119.08585	2.3
122.06007	5.0
126.99478	10.1
129.01015	15.6
136.06491	2.7
136.07568	56.7
136.08672	12.4
141.01015	21.8
154.09798	1.6
155.02570	9.5
167.10593	1.9
173.11655	2.2
176.08197	1.5
178.15907	12.9
192.93738	5.8
196.17030	2.7
197.07265	59.4
199.09464	1.7
206.15413	5.4
224.14198	2.8
224.16429	55.1
225.06839	3.1
247.08426	1.5
250.15498	6.6
251.16264	4.8
252.58748	1.7
277.00461	5.2
278.01300	1.7
309.20581	10.2
312.40988	1.5
346.02664	3.2
360.14777	10.8
378.15802	67.9
378.26379	36.8
379.16110	3.9
391.14484	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	378.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.6
56.80131	0.9
57.07074	32.4
62.03272	0.9
67.05489	1.3
67.91330	0.9
69.07068	100.0
70.06562	1.0
70.07453	1.3
70.07844	7.6
71.58802	1.0
72.08146	2.7
81.07024	0.9
89.63910	0.9
91.05508	1.0
95.08623	1.2
96.41367	0.9
99.00010	5.7
99.03781	0.9
103.03112	1.5
105.24710	0.9
107.04983	0.9
108.02930	0.9
113.01555	3.7
113.02292	1.1
115.06795	1.7
115.07573	27.3
126.99462	9.9
129.01036	16.9
141.01013	22.8
155.01233	1.6
155.02585	7.5
161.09648	1.0
197.07289	80.9
198.07648	2.6
225.06793	5.7
296.91531	0.9
310.76620	1.0
360.29010	1.1
366.65100	0.9
378.15677	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	378.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.3
56.96554	1.5
57.03435	1.0
61.02901	0.7
65.03924	2.7
69.03412	2.0
70.06599	4.4
71.32132	1.1
73.02904	0.6
76.64158	0.6
79.05491	1.7
81.94210	0.6
83.54410	0.6
84.08140	0.7
85.02899	5.1
92.04997	38.2
93.05783	3.9
94.06563	5.9
95.04967	2.0
97.02905	1.5
98.03534	0.9
98.97565	0.8
103.22631	0.7
107.04945	100.0
108.05292	1.7
110.06032	59.4
116.07087	1.7
119.01897	1.9
121.86461	0.7
127.03934	0.8
131.01833	1.1
133.67192	0.5
136.86046	0.7
137.03000	0.9
140.04523	0.8
140.84517	0.6
143.01926	1.1
145.09990	0.5
152.07100	1.7
157.07187	1.8
161.02968	3.0
171.05009	4.7
173.03049	1.0
189.06108	3.9
193.90941	0.8
199.01993	0.6
201.06065	0.7
203.04016	1.0
231.07196	1.9
251.78801	0.6
254.10263	1.5
272.11243	70.3
273.11728	3.9
274.64951	0.6
343.69992	0.7
378.15512	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.9
53.03940	1.0
55.05504	2.4
57.07071	31.2
57.47917	0.5
58.04214	0.9
67.05489	1.3
69.07062	100.0
69.44538	5.4
70.07451	0.9
70.07849	7.9
73.02887	3.0
78.16850	0.6
80.05508	1.0
89.06026	6.5
91.05478	2.6
93.07047	2.9
95.04963	2.2
98.20788	1.1
99.00021	4.5
102.06794	1.6
103.03117	1.3
113.01549	3.0
115.07557	32.9
121.06498	7.6
124.08052	0.7
126.99465	11.5
129.00050	0.8
129.01019	14.8
133.08556	3.4
136.08678	2.4
139.00594	1.2
141.01007	19.6
146.98454	0.5
147.08034	0.7
154.09753	1.6
155.02580	7.6
161.09570	1.1
165.09157	1.2
197.07271	85.8
198.07605	2.3
225.06729	5.1
232.47755	0.7
235.05081	0.7
263.04694	1.6
308.48444	0.6
337.04239	0.6
378.15668	9.0
379.15796	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1456
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03941	1.6
55.01868	1.2
57.03439	9.5
59.04985	1.1
61.02926	4.5
61.44442	0.8
61.83069	0.9
68.18042	0.8
69.03429	14.3
70.06569	2.8
70.17403	2.1
70.17780	1.4
71.01357	1.8
71.04980	3.8
72.08128	1.6
73.02909	1.9
75.04459	2.7
81.03410	4.9
84.08147	2.3
86.09689	1.8
99.04436	5.6
100.81619	0.8
115.83695	0.8
117.05464	1.6
120.08080	2.1
130.06509	1.2
145.07605	3.0
166.86385	0.8
170.07152	2.1
172.08701	36.9
174.10159	1.3
185.09775	1.8
190.09718	2.1
198.06610	8.8
200.08194	4.3
216.07672	21.5
218.09123	1.3
219.56021	0.9
243.08772	81.5
244.09309	1.3
359.13538	4.2
377.14554	100.0
378.14819	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37059	1.5
55.05482	5.4
56.96550	3.7
67.05478	5.1
69.07044	4.0
69.63608	1.9
70.04054	3.3
70.06581	2.5
73.91087	1.7
76.92271	1.7
77.00877	2.7
79.05476	3.6
81.07053	9.5
81.85847	1.8
84.08120	2.0
85.02899	2.3
91.05453	6.5
93.07018	5.3
95.04967	3.2
95.08597	4.8
97.02858	2.2
97.06557	3.9
98.20746	2.9
105.07015	9.1
107.04950	16.0
107.08569	5.9
109.06433	2.2
109.10133	3.2
116.98599	3.5
117.07032	2.4
119.01826	2.2
119.08542	4.2
121.06449	2.9
121.10137	2.7
123.11684	2.7
127.00021	5.0
129.07016	2.9
131.08571	2.4
133.06493	2.2
133.10083	2.7
143.08505	2.7
145.10135	3.3
157.06429	2.0
157.10181	3.0
159.11606	2.0
161.13213	2.2
173.05887	3.0
177.00690	2.0
229.12039	17.8
247.11833	1.8
249.09724	5.8
267.10709	7.6
273.10992	30.3
283.13864	2.7
289.14157	2.7
291.11819	8.1
309.11703	8.3
317.11429	1.9
327.57767	1.8
333.13104	18.8
334.10907	2.4
377.11987	100.0
377.19479	4.6
377.24020	3.8
378.12253	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	377.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.7
55.93543	0.7
56.02910	0.7
56.96553	0.9
58.99569	0.9
60.31011	0.7
60.73655	0.7
61.01138	2.2
65.03930	0.6
67.05489	1.2
70.06583	5.5
70.20104	2.8
70.88610	0.7
76.02227	9.3
79.05467	1.9
81.03429	0.8
83.01685	0.8
84.04479	1.3
84.08103	0.9
85.02901	0.8
86.00645	3.9
86.09684	2.4
88.02190	2.4
88.03959	0.7
94.06561	2.9
95.04963	3.5
96.08093	2.3
106.06544	1.2
107.04946	36.3
108.05229	1.0
116.07072	0.9
120.04447	1.0
120.08096	1.3
122.02730	1.1
122.05141	1.5
122.06018	24.7
123.06817	0.7
124.07559	5.5
129.10268	0.9
132.01143	4.4
134.06004	54.9
135.06328	0.8
136.07570	1.3
137.00558	1.7
138.05478	1.0
139.02145	1.0
140.07048	1.4
148.07607	1.4
149.07085	2.7
150.05501	24.5
152.07053	100.0
153.07388	2.3
154.08626	1.4
160.06384	0.7
163.08630	1.3
164.07129	1.1
165.06598	1.3
168.06573	2.7
173.07104	0.8
175.08701	4.5
176.09380	5.2
177.07811	0.8
180.04779	2.4
182.06339	42.3
183.06656	1.1
184.04305	4.9
186.05800	2.6
191.07932	0.8
193.09729	0.8
209.07399	2.7
219.07555	3.4
220.08284	0.8
226.05336	18.0
226.07747	2.1
227.08430	5.9
228.10416	1.1
230.11298	0.9
232.99564	1.5
237.08694	3.6
237.10890	0.9
246.11214	7.5
246.95694	0.8
256.09662	1.7
258.11096	1.6
270.06546	0.8
271.07431	14.9
275.99387	0.9
277.88916	0.7
299.13840	1.5
333.12613	12.3
377.04114	1.1
377.11664	36.7
378.02463	2.7
378.11685	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2481
Annotation	Spiramine W
Peak:m/z	Relative Intensity
59.86693	0.3
67.05482	0.5
69.70866	1.9
78.17281	0.3
79.27256	0.3
79.94070	0.3
79.94830	0.3
81.07066	0.4
83.98689	0.3
87.04461	19.3
87.71035	0.3
88.82290	0.3
91.05451	0.4
98.20671	0.4
106.06541	3.3
107.04928	0.9
107.07324	0.5
117.05724	0.9
118.06546	6.5
119.07291	0.3
120.08121	0.4
130.06451	0.9
131.07301	4.5
132.08080	3.3
133.08820	0.8
134.09630	1.2
144.08031	0.5
145.08821	0.4
146.09631	6.1
148.11215	0.7
158.09625	0.4
160.11217	4.7
161.11792	0.5
162.12715	0.5
172.11165	0.7
174.12743	1.3
186.12730	0.4
218.11722	0.5
232.13268	1.4
244.20592	6.3
272.20065	47.3
273.20438	1.9
290.21112	13.1
291.21436	0.4
358.23541	0.7
376.24802	100.0
377.25137	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	377.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26944	0.6
51.39207	0.6
53.03933	0.9
58.99569	1.7
61.01146	2.5
67.05496	0.9
70.06584	0.8
70.75617	1.8
76.01828	1.0
76.02223	10.8
79.05489	1.7
81.05794	0.8
84.08131	0.6
86.00642	4.1
86.09695	1.2
88.02217	2.0
88.03996	1.1
91.05446	0.5
94.06567	3.1
95.04958	3.4
96.08130	1.5
106.06555	2.3
107.04208	1.6
107.04951	33.0
110.03611	0.6
116.17607	0.6
120.04479	1.2
122.02749	1.0
122.06026	23.8
123.06831	1.2
124.07583	5.4
132.01143	4.1
134.06015	60.6
136.07576	1.4
137.00555	1.9
138.05524	1.5
139.02159	0.7
140.07033	2.1
140.82664	0.7
146.06010	0.9
148.07562	1.6
149.07082	2.8
150.05499	23.4
152.07062	100.0
153.07446	1.9
154.08638	1.6
161.07170	0.7
163.08650	1.0
164.07097	1.0
165.06606	1.2
166.07323	0.8
167.36301	0.6
168.06592	3.4
175.08623	4.0
176.09442	6.5
180.04829	2.7
182.06349	43.8
184.04305	4.3
186.05850	2.7
191.08125	0.9
193.09720	1.7
209.07477	2.7
212.53339	0.6
218.44823	0.7
219.07692	4.1
220.08357	0.8
225.13000	0.7
226.05359	16.8
226.07579	1.5
227.06389	0.7
227.08470	5.1
228.10246	1.1
237.08766	3.1
238.08745	0.7
246.11246	7.7
256.09695	1.7
258.11261	1.7
266.20847	0.7
271.07483	13.5
299.13998	1.0
333.12665	9.7
353.98019	0.6
377.11615	25.8
378.12112	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25055	0.3
54.74884	0.3
55.05479	0.3
58.93315	0.3
59.93255	0.3
67.05499	0.3
69.03387	0.4
79.05457	0.5
85.27274	0.3
87.04464	16.0
91.05465	0.7
93.07039	0.6
106.06562	2.9
107.04927	1.1
107.07341	0.4
115.51690	0.3
117.05756	1.0
118.06537	7.5
119.07307	0.4
120.08112	0.5
121.06492	2.6
130.06532	0.7
131.07310	3.3
132.08101	2.6
133.08861	0.6
134.09622	0.9
139.94456	0.3
145.08801	0.4
146.09653	5.8
148.03943	0.7
148.11185	0.5
149.04268	0.5
158.09679	0.5
160.11223	5.0
162.12764	0.4
166.04985	0.5
172.11237	0.7
174.12712	0.7
186.12729	0.3
188.14400	0.4
192.93666	0.4
202.15939	0.4
204.10225	1.0
218.11787	0.3
222.33257	0.3
232.13309	1.0
244.20616	3.3
256.09564	1.8
272.20078	42.1
273.20444	2.0
290.21143	18.3
291.21429	0.7
302.12115	1.2
358.23862	0.6
376.24811	100.0
377.25015	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	376.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.4
54.61854	0.9
55.01872	1.3
55.05509	10.5
56.05023	2.0
57.03428	3.0
65.03928	1.4
67.05505	15.0
68.05018	1.1
69.03425	2.3
69.07072	4.7
69.93019	1.1
70.06581	3.7
71.04986	3.2
71.60114	1.2
79.05488	22.6
80.04991	2.2
81.03410	24.7
81.07052	16.7
82.06584	3.3
83.04978	6.5
83.08614	8.7
85.02904	1.2
85.06541	1.1
87.04501	1.3
91.05476	32.4
93.07026	10.3
94.06568	2.5
95.04956	9.7
95.06069	1.4
95.08576	6.3
96.08134	2.0
97.02879	1.6
97.06515	2.6
97.10160	1.1
103.05459	23.2
105.07025	48.6
106.06606	1.1
107.04942	11.1
107.08599	6.2
108.08183	1.2
109.06512	1.2
109.10145	1.5
110.09660	1.3
111.08109	4.8
111.10087	1.0
115.05466	1.5
117.07014	5.3
118.06541	4.5
119.07310	13.4
119.08564	6.0
120.08099	100.0
121.06509	1.9
121.08389	2.0
121.10143	4.2
123.09189	1.4
123.11672	1.4
125.09678	1.5
128.06161	1.1
129.07008	10.5
130.06522	18.1
131.04922	6.3
131.08560	6.5
132.08069	5.5
133.10130	3.1
134.09581	1.2
138.09134	1.6
139.09503	1.5
141.06934	1.3
143.07356	1.3
143.08522	2.0
144.08070	4.6
145.08853	2.3
146.05934	1.3
146.09628	6.4
147.08006	2.2
147.11690	5.1
148.03929	1.5
149.04289	1.2
149.05908	1.4
149.09572	5.0
156.08078	7.7
157.06483	1.0
157.08929	1.2
157.10152	4.5
158.09668	2.4
163.07420	1.0
166.08638	29.9
166.12315	1.8
167.08942	4.1
167.10580	1.3
170.09654	2.1
171.10521	1.3
172.11320	1.5
173.04295	1.3
174.09221	1.5
175.11148	8.8
176.10712	1.7
188.07047	1.2
191.05333	2.4
192.07617	0.9
192.10100	1.5
193.12241	26.6
194.11826	1.2
196.12778	1.0
200.14423	1.2
201.07806	1.1
204.06508	1.1
205.07069	1.4
210.14934	2.7
211.13290	39.3
220.09624	2.8
228.16051	1.4
240.17558	3.0
258.18488	1.5
263.39941	1.0
268.16925	8.2
272.19980	1.5
284.20215	2.2
286.17996	60.7
287.18451	2.1
294.18573	3.3
302.12061	3.0
302.21152	4.0
304.19052	75.2
305.19537	1.8
312.19580	8.3
314.17459	4.8
330.20596	24.1
332.18579	21.8
332.22577	1.6
348.21658	4.6
358.20084	4.2
376.21146	25.2
376.25165	2.3
398.76666	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
55.01876	1.2
55.05490	1.0
56.05029	0.8
56.96570	3.3
57.03427	2.0
61.02926	2.0
67.05504	1.1
69.03434	6.2
69.07056	0.8
69.64321	5.1
70.04079	1.5
70.06596	5.0
70.06925	0.8
71.04984	1.6
72.08147	1.5
73.02908	1.3
79.05483	0.8
81.03414	4.4
82.06572	1.4
84.04517	4.1
84.08152	6.1
85.02905	24.0
85.04834	0.7
85.08481	1.3
86.06074	0.8
86.09704	2.3
87.04485	1.1
88.60310	0.6
91.03946	1.4
91.05491	2.3
91.14525	0.6
93.07058	1.1
95.04967	0.8
96.04476	1.8
97.02880	7.0
98.97564	0.7
99.04421	0.9
102.05521	1.2
107.04943	7.8
107.08556	0.8
109.02879	1.3
110.07168	0.8
112.11208	1.1
116.98653	0.7
120.08087	0.8
121.06511	2.4
122.06043	0.7
127.03942	4.0
127.04787	0.6
128.07065	2.2
129.10252	0.9
130.05011	2.7
130.08652	2.1
131.05386	0.8
131.08992	1.6
137.05977	100.0
145.04944	6.9
146.99757	0.7
147.04384	1.5
147.07616	3.1
147.11278	2.5
148.07982	1.1
148.11636	1.3
150.05421	0.8
151.07530	1.5
152.07053	1.4
158.99673	1.8
161.01273	0.7
168.86609	0.6
177.00638	3.2
179.07034	35.9
180.08701	2.0
190.68768	0.8
197.08086	4.9
211.13350	1.7
212.13695	1.3
213.99731	0.7
214.10786	0.7
223.15224	0.9
231.17757	1.1
237.02914	1.3
239.02348	1.0
250.14337	2.5
251.14624	3.5
252.08438	0.9
252.12415	1.2
268.15543	0.8
269.15729	0.7
270.13522	0.9
305.03510	0.9
332.18832	1.3
358.18552	0.9
358.23981	2.3
376.15240	1.5
376.19690	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35286	0.7
55.01862	1.3
55.05488	1.4
56.05016	2.8
56.05260	0.7
56.96550	1.0
57.03408	0.8
58.99291	1.0
58.99583	18.8
60.08152	0.9
61.01141	0.7
61.02913	1.0
64.58315	0.6
67.05495	2.7
68.39297	0.6
69.03422	1.0
69.06722	1.1
69.07066	16.4
70.02955	1.2
70.06590	17.0
70.98951	1.1
70.99291	1.1
71.04976	0.7
72.08152	4.0
72.87367	0.6
73.01126	1.7
74.00665	36.4
74.06069	1.1
76.02229	5.4
76.03992	3.3
77.95840	0.6
79.05479	1.2
80.05008	1.0
81.07069	4.1
83.06091	2.9
84.04501	27.2
84.08133	7.0
84.23578	0.8
85.01105	2.8
85.02893	1.6
85.03995	0.9
86.00648	5.0
86.06056	1.3
86.09705	10.5
86.99043	10.4
88.02216	3.7
88.03972	1.0
91.05450	1.9
93.07040	3.5
95.04938	1.0
95.06032	0.7
95.08583	0.7
97.02916	1.1
98.09679	1.1
99.05571	0.9
101.04225	3.1
102.05540	2.0
104.10699	1.3
105.07050	1.1
107.04938	2.0
110.07162	3.5
110.09684	1.1
112.11228	0.9
113.04285	1.1
114.03754	0.8
115.05780	0.9
116.01672	49.2
116.07092	2.5
120.08070	5.0
127.05761	6.6
129.06563	3.6
129.10240	4.1
130.04997	5.0
130.06503	0.9
131.04597	0.6
132.01146	4.0
136.07491	1.6
139.05797	0.8
140.07021	1.2
141.06567	0.7
142.03262	4.4
144.01143	21.8
144.08424	15.2
146.11830	0.8
146.84262	0.7
156.08430	4.8
159.04759	1.9
162.02197	100.0
163.02463	0.8
170.02725	1.5
177.03267	1.8
179.04881	1.4
184.07445	1.6
202.08974	3.7
222.18584	0.8
229.11977	0.7
230.08463	12.2
242.08450	2.7
243.08168	0.9
245.05922	1.3
247.11092	7.8
248.16435	0.9
273.12613	1.2
301.12088	3.9
308.18994	0.9
330.10135	3.0
332.20715	2.0
340.21280	1.1
358.09427	0.8
358.22510	1.2
376.10849	1.0
376.15448	2.0
376.23257	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59981	2.1
53.03941	3.2
55.05499	6.6
56.96570	12.9
57.03423	2.9
58.99586	12.0
60.04511	3.3
64.57336	2.3
67.05477	4.0
69.03426	21.1
69.07058	2.7
70.06583	17.3
71.58507	3.1
72.08128	5.5
73.02891	4.6
76.02222	16.7
77.31348	2.2
79.05476	6.8
81.03393	5.1
81.07042	8.2
83.04972	9.5
84.04476	8.1
84.08131	11.5
85.02905	16.7
86.00648	28.7
86.06093	3.0
86.09704	15.9
86.99018	3.4
88.03973	3.6
89.00596	4.0
91.05462	15.2
93.07040	31.9
95.04977	19.3
95.06059	4.7
95.08584	4.1
97.02866	5.4
97.06512	2.7
98.97558	5.0
99.04400	4.1
105.00063	10.5
105.07040	25.4
107.04967	20.1
107.08573	7.0
109.06497	6.4
110.07162	4.8
111.04443	7.0
112.08699	2.4
112.33340	2.5
113.05975	3.5
115.02159	4.2
116.98624	5.2
117.00058	13.7
119.01875	4.0
119.04947	5.1
119.08552	9.7
121.06462	12.0
121.10153	4.8
122.02724	100.0
123.08044	8.8
124.07600	3.0
127.02118	3.1
127.03946	12.3
128.06279	2.5
129.10228	4.2
130.04936	2.8
131.08574	5.7
132.01143	51.8
133.06465	10.7
133.10115	31.4
134.99603	3.7
135.01126	3.4
135.04361	3.0
135.08089	5.4
137.05994	4.1
145.10114	14.4
146.99559	2.7
147.04402	7.0
147.07994	6.5
149.09584	5.8
151.07550	5.8
153.09093	4.5
156.07710	2.7
159.08049	3.0
160.08861	3.5
161.09610	20.7
173.09561	8.0
175.07742	2.1
175.11092	5.9
177.00616	3.2
177.09052	2.9
179.07124	3.7
179.09413	2.2
179.10681	19.6
189.09033	6.1
191.10594	11.0
193.00137	2.5
193.06789	3.8
197.08069	7.5
201.09184	3.2
207.10150	9.7
211.07846	4.0
213.04332	4.6
219.10182	16.8
234.98964	3.5
237.02774	3.0
237.11198	31.4
239.02228	7.4
243.13510	2.8
247.44215	2.8
251.07407	3.7
255.12195	8.3
257.03391	6.3
257.08456	4.5
260.09799	3.6
269.08380	17.5
270.14383	2.6
287.09467	23.2
340.11902	2.8
358.13095	6.7
359.11536	39.9
360.11960	2.8
376.14224	68.9
376.18811	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	376.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	12.7
62.79476	1.1
69.07063	1.7
69.94502	5.6
72.35947	0.9
77.41010	1.1
85.49049	1.0
93.72604	0.9
97.02886	3.3
98.97572	1.0
101.00861	6.4
110.63084	1.0
116.98637	1.7
119.01917	100.0
120.02004	2.9
128.03050	1.7
133.02843	3.3
134.99696	3.0
137.02953	77.3
138.03075	2.9
139.87378	0.9
142.03488	2.8
146.04123	1.3
153.00914	1.0
159.05026	1.7
160.04596	1.1
170.04102	14.5
174.06197	2.8
177.00941	9.0
178.01071	2.8
179.00755	3.5
183.04921	2.3
188.05161	11.6
193.05550	1.3
198.06088	2.2
201.05995	1.5
214.99590	2.2
215.03905	1.2
216.07222	1.1
217.01143	2.3
219.02026	7.9
219.99977	1.9
220.02090	2.4
221.01862	3.5
223.00137	3.1
225.00938	1.1
225.05867	2.6
228.08249	1.2
233.04921	1.7
234.07201	11.5
235.02135	1.7
236.99796	1.4
241.01123	46.5
242.01364	1.5
243.01848	1.6
249.09698	5.0
249.96089	1.1
250.99429	1.8
252.08293	24.6
258.99933	1.9
259.02200	38.5
259.04794	2.2
260.00067	1.2
260.02432	1.8
261.00137	1.8
261.03040	20.5
262.03070	7.6
263.02850	8.7
264.02820	2.8
265.02402	1.2
267.10632	31.9
269.00607	25.6
274.97424	2.2
275.09958	1.1
276.98285	1.0
277.00922	5.5
278.01132	2.3
279.00964	2.2
283.00021	3.3
284.00168	1.1
284.99847	1.2
287.01666	55.0
288.02066	1.3
290.12204	1.3
292.02249	2.4
297.07495	1.4
299.52975	1.2
301.01093	7.8
302.01096	2.7
303.00992	4.7
307.05933	1.4
310.03293	1.3
316.94971	2.2
325.06882	8.1
334.95615	1.5
343.07990	8.5
356.93289	1.6
370.93839	1.2
372.95779	1.7
376.09225	1.5
394.10123	1.4
398.94308	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22655	1.5
51.81509	1.4
52.37172	1.6
53.94106	1.4
55.05502	5.3
57.07076	8.7
67.05489	3.7
69.07067	52.9
70.78747	3.1
70.79100	2.3
79.05511	3.6
81.07043	7.1
83.08617	9.9
85.65501	1.7
90.35245	1.4
91.05482	2.7
93.07021	3.7
95.08588	4.8
105.07038	2.7
107.08559	1.7
109.10161	2.5
121.10215	2.1
129.48260	1.7
142.07750	3.1
152.61984	1.7
155.08585	3.1
157.10104	13.2
159.11667	3.0
165.07024	2.0
169.10118	2.0
179.08563	3.7
180.09280	2.0
181.10121	5.9
182.10884	2.7
183.11652	2.0
184.45816	1.6
193.10149	5.6
194.10980	3.8
195.11662	8.3
196.12361	2.1
197.13257	1.6
207.11694	6.6
208.12471	5.3
209.13252	10.9
210.14206	1.7
211.14793	3.8
213.35013	1.6
219.11827	1.8
220.12524	2.7
221.13266	5.4
222.13989	2.4
223.14868	10.9
234.14082	4.0
235.14815	21.0
248.15663	1.8
249.16376	27.3
250.17117	13.9
251.17944	16.6
277.19528	1.7
331.61621	1.7
340.63263	2.1
375.25677	4.1
375.30441	100.0
376.30786	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.4
55.01884	0.9
55.05503	9.1
57.03452	0.9
57.07073	2.7
62.43969	0.8
63.08121	0.8
63.13623	0.9
63.24119	0.8
65.03919	1.3
67.05495	15.0
69.07058	6.8
71.05012	1.3
79.05486	22.0
81.07049	30.2
83.04982	1.2
83.08620	3.0
89.06026	8.7
91.05470	31.3
93.07033	40.7
94.07356	1.5
95.04958	23.7
95.08600	24.6
97.06521	5.4
103.05457	5.7
105.04501	1.9
105.07021	100.0
106.07331	2.6
107.08581	23.9
107.09282	1.6
109.06501	8.1
109.10149	11.9
113.23350	0.9
115.05469	3.4
117.06989	9.8
119.05033	0.9
119.08566	42.1
121.05638	1.8
121.06496	29.7
121.10123	35.4
122.06835	4.4
123.08054	3.1
123.11698	3.7
128.06215	6.3
129.07001	7.5
130.07796	4.2
131.08559	22.1
132.09395	1.3
133.08607	5.3
133.10114	22.9
135.08081	2.0
135.11702	9.6
141.06987	2.3
142.07773	11.1
143.08543	15.7
144.09366	4.9
145.06418	1.3
145.10106	28.9
146.10683	1.0
147.08008	2.7
147.11650	10.1
149.13240	1.1
153.06981	2.1
154.07790	1.9
155.08496	5.1
156.09331	4.3
157.10114	21.3
158.10846	1.7
159.08075	1.8
159.11676	13.8
161.09605	5.4
161.13260	2.8
163.11150	1.3
165.07011	3.3
165.09094	5.2
166.07709	2.2
167.08528	3.9
168.09319	2.2
169.10097	8.2
170.10867	1.8
171.11659	11.2
172.12556	1.0
173.09654	1.9
173.13254	7.9
175.11201	3.4
175.14812	4.0
177.11395	1.0
179.08563	3.3
180.09329	1.6
181.10144	4.7
182.10832	3.0
183.11713	7.6
185.13193	4.6
187.11151	2.5
187.14856	6.2
192.09395	1.1
193.10118	3.8
194.10956	2.5
195.11687	5.5
196.12381	2.6
197.13177	5.4
199.11195	1.3
199.14809	3.0
201.16434	3.1
207.11694	3.2
208.12469	2.0
209.11539	1.1
209.13268	5.5
211.14766	3.7
213.12779	1.2
213.16498	1.3
213.52388	1.0
220.12405	1.5
221.13261	2.0
223.14809	3.7
225.12756	1.2
225.16507	1.6
229.34424	1.1
233.13327	1.9
235.14742	2.7
237.16591	1.3
239.17871	1.9
249.16338	1.1
251.17921	2.2
253.15913	2.1
253.19431	2.4
263.17920	1.2
265.19257	1.3
266.20465	1.4
271.15332	6.2
274.12796	1.0
279.21280	1.3
279.89011	1.1
281.18933	1.7
309.93784	0.9
319.20471	1.3
375.26785	16.3
376.27158	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17113	0.9
55.01879	1.0
55.05510	7.0
56.05026	5.5
57.03438	1.2
57.05816	1.4
58.06604	1.6
60.04254	1.3
60.04525	15.3
60.05640	1.4
62.21881	1.0
69.03423	2.1
69.07053	4.7
70.06592	31.4
70.29876	1.0
70.30183	4.9
71.04967	1.0
72.08156	100.0
74.06076	2.0
76.03985	1.1
81.03416	1.6
82.06563	1.4
83.06109	1.4
83.08629	1.1
84.04511	8.5
84.08144	32.3
85.02887	1.9
85.08493	1.6
86.06055	1.6
86.09707	78.0
87.05580	7.3
87.10040	1.4
88.03983	3.5
91.05472	2.8
93.04537	1.2
95.04974	1.2
96.04500	1.0
102.05556	3.4
107.04961	5.5
110.03557	2.0
110.07159	7.6
112.08717	2.0
114.63570	1.0
115.08635	2.1
116.07095	2.5
119.04922	1.8
120.08087	8.7
125.07108	1.2
128.04544	8.4
128.10738	6.2
129.10245	16.9
130.05005	4.1
130.08615	2.6
132.10213	2.7
136.07576	2.5
143.08209	1.3
143.11801	13.6
147.11249	3.0
148.42395	1.2
156.07629	1.0
159.11305	1.8
159.30780	1.1
161.35387	1.0
171.11314	6.5
173.12866	40.1
175.10760	19.2
175.12111	1.6
176.11017	1.0
183.11252	1.3
187.10756	4.4
189.12338	2.6
195.90968	1.0
197.12697	1.3
201.12383	17.8
205.09972	1.0
205.11874	5.5
213.09061	2.0
213.60362	1.2
243.07272	2.1
269.15955	1.3
270.18027	1.9
300.19186	1.6
375.16058	1.2
375.22739	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	375.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.01854	1.8
55.05507	6.6
56.96554	2.2
57.03431	7.9
57.07071	1.4
61.02937	1.4
65.03932	1.1
67.05501	14.6
69.03418	2.0
69.07066	9.0
70.06584	0.8
71.04980	2.1
71.08624	2.7
71.59507	0.6
71.59922	0.9
73.02921	1.0
79.05488	12.8
81.03400	1.9
81.07056	14.9
83.04977	2.3
83.08614	2.7
84.04488	2.4
85.02906	8.0
85.06537	1.7
87.41122	0.5
88.11275	3.3
91.03979	0.9
91.05478	12.0
93.07043	12.7
94.07407	0.8
95.04959	6.9
95.08605	7.1
97.02874	1.4
97.06525	5.2
97.10170	1.6
98.97533	0.9
102.05550	3.2
103.05447	1.9
105.07026	14.5
107.04952	100.0
107.08581	4.5
109.06520	2.7
109.10150	3.8
110.07185	1.1
111.08067	1.1
115.05441	4.1
117.07013	8.2
118.06544	0.7
119.04942	0.6
119.08570	5.4
121.02850	2.1
121.06500	2.8
121.10126	5.3
122.10496	0.6
123.04402	1.3
123.08057	2.2
128.06253	1.8
129.07001	2.9
130.05002	16.1
131.00090	0.8
131.04932	2.6
131.08563	4.4
132.05717	0.7
133.05460	1.0
133.06490	21.9
133.10104	3.8
134.06868	0.8
135.08043	1.1
135.11690	3.6
136.08823	0.6
136.13554	0.6
137.06009	0.7
139.11163	1.0
139.15802	0.5
141.06981	1.1
143.08537	1.9
144.05688	2.2
145.06479	77.3
145.10129	1.6
146.06834	1.2
146.09648	0.6
147.08046	6.4
147.11693	1.0
148.03894	3.0
149.01218	2.3
149.06042	1.1
149.13319	0.7
151.11160	1.0
155.06036	2.1
156.13873	1.7
157.06483	25.9
157.10097	1.4
159.08054	16.6
159.11674	2.0
161.05975	27.0
161.09628	1.9
161.13203	1.1
161.26149	0.6
165.06944	1.0
166.05008	1.9
167.02231	0.9
167.08527	0.9
171.08034	10.8
171.11729	0.9
172.13295	1.6
173.05917	0.8
173.09595	5.8
175.07559	0.7
176.14359	8.2
177.00700	1.0
177.12750	0.9
183.08005	4.6
185.09618	5.9
187.07613	0.8
187.11125	2.9
189.12759	1.4
195.08064	1.5
195.13789	1.8
197.09589	3.6
199.11189	2.1
200.12811	67.0
201.09007	0.8
201.13066	1.0
206.20506	0.8
207.13864	1.7
209.09549	1.3
223.11192	1.7
237.59045	1.0
244.09659	1.7
244.59819	1.8
245.09906	1.1
252.59698	1.4
255.17535	1.4
265.15891	2.0
272.27786	0.7
283.16940	7.6
285.13043	0.8
288.15936	2.4
301.11963	2.5
301.17981	21.5
302.18161	1.0
325.62433	0.9
339.19717	1.7
375.21689	23.1
375.26508	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	375.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.8
56.05029	1.6
67.05505	5.1
68.05025	1.0
69.03428	1.3
69.07082	1.0
70.06599	3.2
71.05997	2.4
71.06344	1.7
72.08148	1.9
79.05502	3.8
81.03409	13.1
81.07039	3.8
82.29199	1.0
83.04980	5.2
83.08621	4.9
84.04499	66.3
84.08127	1.5
85.02900	3.3
86.09707	1.6
91.05495	4.5
93.07030	3.0
95.04971	4.4
96.04472	4.4
96.46043	1.0
98.97580	3.4
101.07138	4.6
101.22380	1.2
102.05524	3.0
105.07037	3.9
107.04937	6.0
107.08575	2.0
108.05299	1.7
110.95135	1.3
111.08060	1.9
119.01646	1.2
119.08566	2.2
120.88305	1.0
121.02852	3.9
121.10138	1.5
122.03216	2.0
129.07007	1.7
130.04997	90.6
131.08560	2.1
133.10146	1.6
147.07637	100.0
147.11583	1.9
148.06064	2.6
149.09625	3.7
151.03809	1.4
157.10091	3.2
175.11189	1.3
177.00656	1.4
183.83464	1.0
193.12195	8.0
194.15396	1.8
199.79753	1.2
202.45358	1.2
204.13823	2.2
210.14856	1.7
211.13293	22.4
212.52815	1.2
250.14352	12.7
268.15500	5.4
331.18939	3.5
357.20221	1.6
375.21747	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01858	0.6
55.05504	0.6
56.96555	1.9
57.03418	1.0
60.98565	0.4
61.02909	0.5
65.03937	1.1
67.05486	1.2
69.03416	2.0
69.07026	0.5
70.06583	2.2
71.04990	0.5
71.59808	0.5
72.08143	1.5
79.05479	1.3
81.03432	1.0
81.07045	1.3
82.06567	0.5
83.04966	0.5
84.04504	1.2
84.08125	0.9
84.96032	1.0
85.02892	2.7
86.09692	2.1
87.04472	0.5
87.60928	0.4
89.03897	1.6
91.05474	1.9
92.04956	0.6
93.07023	1.6
94.06548	1.7
95.04948	1.0
95.06091	0.4
95.07323	1.2
95.08596	0.7
96.08119	2.1
97.02880	1.5
97.06516	0.9
98.09692	0.6
98.97574	3.4
105.07011	0.9
107.04955	3.0
108.08102	1.4
109.10123	0.6
110.09687	3.3
110.97576	0.5
112.98132	0.5
113.83372	0.4
116.04970	8.2
116.98617	3.8
120.08100	2.9
121.06470	0.5
121.10172	0.8
122.06033	3.0
125.01531	1.9
127.03879	0.7
128.98590	0.9
132.08028	0.4
134.05995	1.4
134.99615	2.4
136.07536	1.9
137.05971	0.6
138.09113	4.5
143.11780	0.6
144.04434	16.7
144.08112	0.5
145.04980	0.5
146.06033	1.7
146.77818	0.5
146.99634	1.2
148.03926	1.1
148.07538	1.2
152.07030	0.5
158.99622	1.1
161.01215	1.0
162.05493	8.4
166.08632	10.0
170.99611	0.7
172.03923	68.8
173.04268	1.2
177.00710	1.4
188.07019	1.0
190.04993	10.0
201.00694	0.5
204.06546	100.0
205.06880	1.8
205.09720	0.7
219.01776	0.9
222.18547	1.1
231.06746	0.7
237.02780	2.4
279.10880	0.6
289.09485	1.5
301.07068	1.8
301.11661	1.0
307.10635	9.1
315.09885	0.8
317.06403	0.7
325.11578	1.6
339.13052	0.7
349.11557	1.1
357.14398	15.2
358.14603	0.6
375.03970	2.2
375.11722	0.9
375.21921	1.1
393.04675	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44304	1.1
55.05502	2.6
56.22997	1.1
56.96554	2.1
65.03936	8.3
67.05493	3.3
69.03417	2.3
69.07055	2.4
70.04082	2.4
70.06582	1.9
70.33686	1.1
70.80534	3.5
71.04949	1.3
72.08167	1.3
72.93783	1.7
74.67413	1.2
79.05482	5.5
81.03382	2.9
81.07056	6.3
83.08601	1.8
84.00677	1.2
84.08157	1.6
85.02886	2.2
90.94836	2.4
91.05473	3.9
92.04977	3.4
93.07029	5.2
94.06564	4.6
95.04955	2.8
95.07328	2.5
95.08593	3.0
96.08116	5.5
97.02859	1.6
97.06537	1.8
98.97529	1.6
103.05460	1.3
105.06984	3.1
107.04956	20.6
108.05301	2.9
108.08099	8.1
110.07150	1.4
110.09665	7.4
116.98573	1.9
119.08570	1.6
120.04453	8.3
120.08111	5.1
121.10114	3.0
122.06043	5.8
123.11703	1.4
124.07589	2.4
132.95837	2.7
136.07564	3.6
138.05432	1.8
138.09145	7.9
144.04436	2.2
146.06026	3.0
148.03923	100.0
148.98990	1.3
149.04280	1.6
150.96898	2.5
152.07088	1.4
158.97418	4.9
162.05589	1.8
162.96898	1.8
166.04994	55.5
166.08624	19.0
172.03920	6.0
174.96863	3.8
176.98428	2.3
186.96887	2.7
190.04926	7.4
199.12302	1.9
204.06580	9.4
216.97934	1.3
222.07402	1.4
227.11841	1.6
231.36235	1.2
234.99026	18.0
240.83731	1.1
241.07335	1.4
252.15962	2.3
253.00124	1.9
255.07016	3.0
255.11270	20.4
258.00555	1.3
259.08548	3.8
267.06699	2.6
269.13614	1.3
270.16779	1.2
273.12280	11.5
277.09445	1.8
283.10825	18.5
285.10095	1.9
301.11816	97.7
302.12180	3.1
319.12943	13.7
325.11526	1.5
330.98074	1.2
339.87256	1.3
343.12872	16.8
357.09903	4.1
371.22397	1.2
375.11121	5.8
375.15067	2.1
375.23071	1.5
385.20663	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	9.2
55.05509	8.4
56.05022	4.2
61.93177	4.0
64.48778	4.5
64.73565	4.8
65.03944	8.7
67.05509	14.5
69.03375	4.3
69.07063	7.9
70.06598	30.9
71.01337	5.5
71.59065	4.8
72.08162	14.2
79.05491	13.4
81.07045	5.7
84.04529	7.6
84.08144	20.1
85.02921	7.2
86.09696	31.0
91.05483	88.8
93.07053	10.5
95.04971	14.2
103.05489	9.1
105.03401	21.3
105.07035	10.4
107.04955	32.2
109.06496	9.5
110.07177	11.5
111.04454	4.4
117.06951	5.2
119.04948	98.6
120.08131	12.1
121.06474	6.9
123.08067	6.6
124.05254	6.5
125.06001	5.9
127.01262	7.4
129.07013	6.6
131.04941	10.8
133.06493	15.7
134.06033	6.7
137.05968	26.5
147.04393	29.2
151.03908	100.0
151.05086	8.9
151.07533	49.4
152.07056	11.5
153.05487	6.9
161.05995	10.3
163.03894	5.2
165.05402	9.8
175.07571	8.1
178.06303	15.4
179.07033	23.2
187.07631	7.7
195.06444	5.1
196.07304	10.6
253.13112	4.8
292.54532	5.1
375.13770	6.1
375.19403	5.7
382.99255	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	375.1329
Annotation	N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide
Peak:m/z	Relative Intensity
53.00316	0.5
55.02984	0.5
55.05508	1.8
56.96564	1.3
57.03439	0.4
57.07074	17.5
58.51814	0.3
61.02916	0.4
63.05930	0.3
64.23616	0.4
66.29720	0.3
67.02999	0.6
67.05504	2.4
68.03765	2.2
69.03418	0.6
69.07064	48.3
70.04063	1.1
70.06711	1.4
70.07442	0.6
70.07841	3.4
72.83923	0.3
79.05492	1.3
81.03410	0.3
81.07066	1.9
83.04882	0.5
83.08609	0.5
85.02898	0.7
86.09691	0.4
87.00031	0.6
91.05465	1.6
93.07052	1.4
94.04099	0.4
95.04837	9.1
95.08591	0.9
96.05621	1.0
97.02871	0.9
97.06538	1.5
98.99994	1.3
100.05095	8.3
101.21172	0.3
103.03104	0.4
105.07030	1.5
107.04937	3.4
107.08585	0.7
108.05616	0.5
109.06503	0.4
109.07607	0.4
109.10149	0.7
110.07177	0.4
111.04459	0.9
112.05103	1.4
113.01548	1.3
115.07565	5.3
117.06989	0.5
119.08596	0.7
121.06494	0.9
121.10153	0.8
122.03521	5.4
122.07151	1.0
123.04369	0.6
123.08096	0.3
125.01533	0.7
126.65347	0.3
126.99454	5.5
129.01024	13.5
129.06943	0.3
130.41425	0.3
131.08549	0.7
133.06483	0.7
133.10127	0.5
134.07225	0.6
134.99612	0.4
136.08685	4.4
137.09479	0.4
138.06645	1.3
139.00594	1.1
140.04535	2.6
140.08199	0.4
141.01009	17.8
141.04631	0.6
143.03860	0.3
143.08545	0.8
144.00792	0.4
144.09262	0.4
145.06502	0.4
145.10091	0.7
147.08096	0.4
150.10249	1.5
151.07329	1.3
155.02582	4.3
157.06380	1.9
159.11716	0.4
161.09642	0.9
163.05898	0.5
163.07268	12.1
164.08138	30.5
165.01036	1.2
166.98946	1.3
167.02591	1.5
169.04153	32.8
170.04483	0.5
172.08836	0.8
174.06659	0.6
178.09746	3.4
179.02611	1.3
179.10526	18.8
180.10835	0.3
181.04175	0.6
182.03519	0.4
185.09515	0.5
186.06654	0.9
191.04143	0.4
191.06743	10.2
192.03279	1.7
196.07034	11.3
196.08823	0.6
197.07274	23.9
198.07565	0.5
206.09120	0.8
207.05714	6.4
209.03531	2.3
210.04329	2.1
220.02745	7.0
221.03477	0.4
222.04295	3.7
225.06860	1.2
228.11401	0.6
248.05939	0.5
248.13799	12.6
249.14105	0.5
250.03766	3.2
264.08948	5.3
278.10721	0.4
288.09048	1.3
306.10043	4.0
352.05664	0.6
375.13290	100.0
376.13589	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	375.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00316	0.5
55.02984	0.5
55.05508	1.8
56.96564	1.3
57.03439	0.4
57.07074	17.5
58.51814	0.3
61.02916	0.4
63.05930	0.3
64.23616	0.4
66.29720	0.3
67.02999	0.6
67.05504	2.4
68.03765	2.2
69.03418	0.6
69.07064	48.3
70.04063	1.1
70.06711	1.4
70.07442	0.6
70.07841	3.4
72.83923	0.3
79.05492	1.3
81.03410	0.3
81.07066	1.9
83.04882	0.5
83.08609	0.5
85.02898	0.7
86.09691	0.4
87.00031	0.6
91.05465	1.6
93.07052	1.4
94.04099	0.4
95.04837	9.1
95.08591	0.9
96.05621	1.0
97.02871	0.9
97.06538	1.5
98.99994	1.3
100.05095	8.3
101.21172	0.3
103.03104	0.4
105.07030	1.5
107.04937	3.4
107.08585	0.7
108.05616	0.5
109.06503	0.4
109.07607	0.4
109.10149	0.7
110.07177	0.4
111.04459	0.9
112.05103	1.4
113.01548	1.3
115.07565	5.3
117.06989	0.5
119.08596	0.7
121.06494	0.9
121.10153	0.8
122.03521	5.4
122.07151	1.0
123.04369	0.6
123.08096	0.3
125.01533	0.7
126.65347	0.3
126.99454	5.5
129.01024	13.5
129.06943	0.3
130.41425	0.3
131.08549	0.7
133.06483	0.7
133.10127	0.5
134.07225	0.6
134.99612	0.4
136.08685	4.4
137.09479	0.4
138.06645	1.3
139.00594	1.1
140.04535	2.6
140.08199	0.4
141.01009	17.8
141.04631	0.6
143.03860	0.3
143.08545	0.8
144.00792	0.4
144.09262	0.4
145.06502	0.4
145.10091	0.7
147.08096	0.4
150.10249	1.5
151.07329	1.3
155.02582	4.3
157.06380	1.9
159.11716	0.4
161.09642	0.9
163.05898	0.5
163.07268	12.1
164.08138	30.5
165.01036	1.2
166.98946	1.3
167.02591	1.5
169.04153	32.8
170.04483	0.5
172.08836	0.8
174.06659	0.6
178.09746	3.4
179.02611	1.3
179.10526	18.8
180.10835	0.3
181.04175	0.6
182.03519	0.4
185.09515	0.5
186.06654	0.9
191.04143	0.4
191.06743	10.2
192.03279	1.7
196.07034	11.3
196.08823	0.6
197.07274	23.9
198.07565	0.5
206.09120	0.8
207.05714	6.4
209.03531	2.3
210.04329	2.1
220.02745	7.0
221.03477	0.4
222.04295	3.7
225.06860	1.2
228.11401	0.6
248.05939	0.5
248.13799	12.6
249.14105	0.5
250.03766	3.2
264.08948	5.3
278.10721	0.4
288.09048	1.3
306.10043	4.0
352.05664	0.6
375.13290	100.0
376.13589	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	375.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	3.4
56.05023	3.1
57.07072	32.5
60.04992	0.8
67.05479	3.6
69.07065	100.0
70.04069	7.4
70.07428	1.6
70.07832	7.6
70.66404	2.2
79.05481	3.0
81.03373	0.8
81.07033	3.6
83.04827	1.4
83.06123	0.9
83.08582	1.1
83.35464	0.9
91.05471	3.7
92.71309	0.9
93.07041	2.4
95.04948	2.0
95.08565	2.1
97.06509	1.2
98.99990	3.4
100.05098	10.0
105.07007	2.0
107.04941	3.3
107.08574	1.5
110.03500	2.9
110.07135	1.8
113.01543	2.8
115.07565	38.5
117.06988	2.9
119.08567	2.6
121.06508	1.3
121.10100	1.1
126.99450	8.1
128.06189	1.2
129.01028	15.4
129.07002	2.6
131.08563	4.1
133.10110	1.6
141.01013	20.4
143.08563	2.5
145.10085	2.4
150.10251	3.5
155.02562	8.8
155.19254	0.7
157.10069	1.9
159.11604	1.6
161.09601	1.1
164.08067	2.1
169.04102	2.7
171.11679	2.4
173.13268	1.4
185.13376	1.1
191.06691	2.3
197.07277	65.9
198.07611	1.4
205.10094	0.9
207.05750	1.8
210.04430	1.0
222.04265	2.5
225.06693	7.3
248.13753	1.8
249.40115	1.1
250.03719	2.5
258.79794	1.1
278.10562	2.0
283.20483	2.8
294.10019	68.3
295.10309	3.2
301.21573	1.8
306.09995	3.2
347.13611	1.5
370.15433	4.0
375.13263	15.3
375.25226	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	375.1324
Annotation	N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide
Peak:m/z	Relative Intensity
50.12474	0.4
53.03930	0.6
54.10519	0.5
55.02977	0.5
55.05500	1.2
56.96558	0.8
57.03423	0.9
57.06824	0.6
57.07075	10.3
59.67010	0.4
62.22448	0.5
67.02961	1.1
67.05493	2.6
68.03762	2.9
69.03394	0.7
69.07063	28.3
70.04072	2.8
70.06580	0.6
70.07840	2.1
71.60016	0.8
79.05473	2.2
81.07037	1.5
83.04897	1.0
83.08632	0.5
91.05475	2.8
93.07023	2.1
95.04831	9.1
95.08563	1.2
96.05608	0.7
97.06517	1.2
98.50014	0.5
98.99992	0.6
100.05090	3.2
105.06997	2.8
107.04953	3.3
107.08584	1.4
108.05647	0.5
109.05128	2.3
109.10115	0.6
113.01527	0.7
115.07561	2.3
117.07004	1.7
118.48398	0.5
119.08563	2.1
121.10081	0.8
122.03499	8.4
122.07204	0.5
123.08103	0.5
126.99448	2.5
129.01031	6.4
131.08559	1.5
133.06473	1.0
133.10117	0.9
136.06226	1.2
136.08699	1.9
139.00714	0.6
140.04561	4.3
141.01013	9.1
143.08548	1.5
145.10106	2.0
151.07283	4.3
155.02629	2.4
157.06371	0.7
157.10120	1.2
159.11641	1.2
163.07263	40.6
164.08090	35.2
164.09544	0.8
169.04137	7.7
171.11658	0.5
173.13179	0.6
178.09758	1.1
179.02512	0.6
179.06505	0.5
179.10513	7.4
185.13275	0.6
191.06738	30.1
196.07022	27.4
197.07269	13.3
198.07524	0.5
205.51096	0.5
206.09126	1.3
209.03537	0.8
210.04231	0.6
220.02728	1.7
222.04291	1.0
225.06792	0.9
231.05684	0.5
248.13803	19.8
256.45920	0.6
264.08920	1.5
273.22318	0.9
301.21616	2.2
312.55231	0.5
347.13577	1.0
370.15439	2.8
375.13272	100.0
375.25763	3.1
376.13504	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	375.107
Annotation	Eriostemin
Peak:m/z	Relative Intensity
55.05492	1.9
56.96541	2.2
57.07062	0.9
67.05496	2.5
67.68137	0.8
69.03416	1.0
69.07047	2.3
69.80701	5.3
79.05477	2.1
81.07026	3.2
83.08568	1.0
85.02879	0.8
91.05467	2.2
93.07041	2.0
95.08611	2.4
97.06549	1.0
97.10165	0.9
105.07018	2.3
107.04940	11.8
107.08567	1.3
108.02074	1.3
109.10150	1.0
116.45774	0.8
119.08562	1.5
121.10148	1.3
125.01553	1.3
130.20015	0.9
131.08556	1.9
131.94481	0.7
133.10121	1.2
135.04382	1.0
137.02322	2.3
139.61734	0.8
145.06429	1.9
145.10068	1.3
147.11613	1.3
154.02599	1.3
157.06526	1.7
157.10231	0.8
163.03842	2.2
164.08202	0.8
177.69525	0.9
178.06239	2.6
179.07028	0.9
181.04950	1.2
197.05942	2.5
201.43954	0.9
225.05379	4.0
243.06584	4.7
243.67738	0.9
253.04965	2.0
254.05640	0.9
257.96475	0.9
269.04236	1.7
270.05203	2.9
271.05997	1.6
286.08276	1.4
298.04724	9.1
299.05252	4.2
313.03421	0.9
314.07828	25.5
315.04828	1.2
315.08115	1.6
317.06583	1.5
326.04190	7.6
331.08063	4.3
342.07330	15.7
343.07953	1.7
344.05115	2.6
345.05899	3.3
346.06888	2.0
359.07571	32.6
360.08231	12.7
375.10706	100.0
375.29883	1.8
376.11166	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	374.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.05509	2.5
55.89879	0.3
57.07060	1.0
67.05495	2.7
69.03406	0.4
69.07066	3.8
71.15152	0.7
73.26177	0.3
79.05494	2.3
81.03436	0.3
81.07059	3.6
83.08616	2.0
89.06028	1.7
91.05469	5.7
93.07039	10.7
95.04961	3.2
95.08594	3.1
97.10166	1.4
99.08038	0.4
103.05463	5.0
105.04508	0.5
105.07021	9.8
107.08588	1.4
109.10146	1.2
111.08099	0.6
119.08578	1.4
121.06493	100.0
121.10078	2.0
122.06810	1.0
123.11700	0.7
128.06056	0.3
131.08543	0.7
133.08569	0.6
133.10114	0.8
135.11670	1.0
138.09128	24.1
143.08543	0.7
145.10106	1.0
147.08090	0.3
157.10115	0.7
159.11673	0.4
164.06978	0.5
165.09099	1.3
169.10057	0.4
173.13242	0.4
198.94269	0.4
234.14691	0.4
254.24797	0.6
269.15112	0.3
271.15488	1.0
374.30490	23.0
375.26550	0.5
375.30756	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01865	0.9
55.05490	0.4
55.93525	0.4
56.05027	0.6
57.03429	0.5
60.04513	0.3
61.02922	0.5
67.05493	0.4
69.03427	2.4
69.07077	0.4
70.06591	1.5
71.04995	0.5
71.20499	0.5
72.08154	3.0
72.93774	0.4
73.02914	0.6
79.05485	0.5
81.03417	3.7
81.07053	0.3
82.06557	0.8
83.08614	0.3
84.04504	0.8
84.08142	12.0
85.02907	4.1
86.09702	4.1
87.00824	1.6
91.03973	0.3
91.05479	0.4
95.04964	0.8
97.02897	1.8
98.97578	0.3
99.04456	0.9
104.07079	0.4
105.01885	1.2
105.07003	0.4
107.04954	2.0
109.02878	2.8
110.07148	0.4
112.11242	1.3
116.07097	0.3
116.13984	0.3
117.01870	0.5
120.08160	0.3
123.04461	0.3
127.03913	100.0
128.04233	0.9
128.07051	2.3
129.01904	0.4
129.10248	1.3
130.04991	1.0
130.08652	2.9
132.10193	0.2
135.04240	0.3
136.06139	0.4
137.05951	0.5
141.10260	0.3
143.11824	0.7
145.02855	0.5
145.04967	0.8
147.04407	0.9
147.07632	0.5
147.11275	2.2
158.99593	0.3
159.02898	1.2
178.05795	0.6
190.97929	0.8
193.12234	0.6
202.97833	0.3
205.11871	0.5
208.98967	0.5
211.13310	0.9
218.97394	2.6
220.98820	0.4
222.96960	0.3
228.16017	0.4
230.17546	0.8
236.98503	2.1
244.26215	0.3
254.17520	0.5
260.98337	0.4
268.15860	0.3
268.19058	1.0
331.22141	1.3
343.84299	0.3
357.23807	1.7
373.17709	0.3
375.16400	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66581	0.8
53.32343	0.7
55.97104	0.8
55.98999	0.9
56.96286	1.5
56.96560	24.1
70.51426	1.4
71.95258	4.7
72.96024	0.8
74.97609	0.9
84.96021	1.6
97.96827	1.2
97.99243	0.8
99.65963	0.8
105.06983	1.5
107.08643	1.1
110.97581	3.7
115.97823	1.7
116.98586	1.7
128.98595	11.1
131.00136	0.8
133.98875	1.7
146.99628	15.3
153.12366	0.9
161.01218	2.5
165.00732	3.2
169.05321	1.1
170.01236	0.9
175.06575	0.9
179.02194	1.3
185.04778	1.2
189.04292	2.1
190.05043	0.9
193.03795	1.1
203.05931	1.5
222.04305	0.9
228.41058	0.8
252.10284	1.9
259.12189	1.8
263.09586	6.1
265.11041	0.9
270.11322	1.0
281.10474	1.1
282.11075	1.2
295.12579	1.2
303.12708	1.8
315.16254	32.0
321.13678	1.1
331.15781	1.7
333.17331	100.0
334.17706	5.1
351.18387	43.3
352.18643	2.5
356.18933	10.6
357.19116	1.0
374.00708	0.9
374.19907	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	374.202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51270	0.9
56.96548	2.9
61.02924	1.6
65.14006	1.1
69.03419	3.1
69.67740	6.9
70.06580	3.3
71.04986	1.1
71.06926	1.0
72.08127	1.0
79.21862	0.9
81.03407	1.5
84.04508	1.5
84.08135	3.5
85.02892	7.8
86.09685	4.0
87.04460	1.6
89.06025	56.8
95.06054	1.2
97.02864	2.6
106.35101	0.9
107.04977	4.7
107.07056	6.1
127.03876	3.9
129.10220	1.3
133.08604	24.2
144.07573	1.0
145.04915	1.2
147.04399	4.5
150.05551	1.3
151.09665	3.1
163.03851	1.0
177.11243	5.7
195.12271	100.0
196.12724	2.2
212.14597	1.4
237.02882	1.1
242.63641	1.2
276.07541	2.2
285.07941	1.4
333.10287	1.3
357.07767	1.5
375.12100	1.1
375.16620	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01239	0.8
53.03931	1.2
55.01860	1.4
55.05496	3.5
56.96538	1.4
57.03417	1.6
57.07046	1.0
58.99570	4.2
59.04983	3.6
61.02887	0.8
62.99065	0.8
65.03927	3.0
67.05495	11.1
69.03426	5.6
69.07057	4.9
70.06578	4.4
71.04994	4.8
72.08144	2.0
73.01128	4.7
73.02892	0.8
74.00652	1.7
74.06066	1.0
76.02216	7.6
79.05481	6.3
79.69650	0.9
81.03402	3.3
81.07047	10.1
83.05013	0.9
84.04494	2.6
84.08118	2.4
85.01132	0.9
85.02904	5.4
85.40283	0.9
86.06065	1.1
86.09206	1.3
86.09703	19.4
86.99043	2.4
87.00815	1.9
87.04459	15.4
88.02218	8.4
88.03979	2.2
91.02166	8.3
91.05484	16.0
93.07034	16.1
93.97760	1.0
95.04962	84.0
95.08597	5.1
96.05249	1.0
96.08121	1.1
97.02897	1.8
97.06532	2.2
97.95722	0.8
98.06052	1.0
99.02675	1.8
99.04436	1.6
100.02195	5.8
101.00596	6.0
102.05543	2.0
105.00067	5.3
105.01874	1.9
105.07029	14.2
107.04962	4.4
107.08581	15.3
108.08134	0.9
109.02935	1.2
109.06506	10.1
109.10146	17.3
111.02598	1.1
113.06078	0.9
116.01688	5.2
117.07039	1.0
119.01634	100.0
119.08585	8.1
120.08121	1.2
121.06493	1.7
121.10137	16.6
122.02716	44.6
123.08074	2.1
123.11711	2.0
124.07532	1.2
125.09631	1.2
126.03683	1.7
127.02154	1.7
127.03919	2.2
131.08559	3.3
132.10222	1.7
133.06465	1.1
133.10109	5.7
134.02707	1.2
135.08028	2.6
135.41209	0.8
136.06134	1.1
137.05881	0.8
137.09550	0.9
138.09183	1.5
139.11131	0.8
142.07747	1.5
143.08524	3.2
144.04701	2.5
145.03146	4.6
145.04936	1.9
145.10123	4.6
146.02701	6.3
147.05554	2.2
147.11662	12.3
149.09605	10.0
149.13229	3.1
151.03889	2.0
155.08492	1.2
157.06458	1.3
157.10144	5.9
159.11711	5.3
161.09628	3.1
162.05780	1.3
163.02740	1.1
163.05733	1.1
164.03755	1.2
166.08609	2.1
171.11644	0.9
172.04184	5.4
173.02766	1.5
173.13231	1.5
175.11186	1.4
175.14830	2.1
181.06828	1.2
189.06598	2.0
189.16328	1.6
190.05356	8.1
191.03705	11.6
191.08080	2.2
197.13094	1.2
198.05817	2.2
199.14790	9.8
205.09041	1.0
207.05354	1.5
208.06378	50.9
212.03952	1.6
215.14017	5.3
216.06862	3.3
217.15852	15.7
234.07909	1.3
235.16905	2.8
243.13399	5.6
251.08199	0.9
270.11548	1.6
293.14352	10.4
293.64514	2.2
306.03525	1.0
320.16641	1.8
338.17776	4.8
342.14383	3.3
350.94839	1.3
356.18814	10.5
356.22433	1.2
374.20529	7.8
375.11298	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.5
55.01858	5.6
55.05510	16.2
56.96550	5.7
57.03415	4.7
57.07069	5.3
59.05007	3.2
61.02932	2.8
64.39171	2.1
65.03934	4.5
67.05499	38.8
69.03411	11.1
69.07064	100.0
70.04064	9.7
70.06574	6.9
71.04976	5.7
71.31057	2.3
71.59536	4.0
71.59933	2.8
72.08144	3.5
73.01111	2.2
74.00651	4.6
79.05483	23.1
81.03403	11.7
81.07050	79.7
83.04976	13.3
83.08611	7.7
84.08125	3.6
86.06059	4.7
86.09701	5.4
87.04470	5.8
88.03979	39.9
91.05479	27.0
92.05788	3.3
93.07041	39.7
95.04960	42.3
95.08605	31.5
97.02869	4.3
97.06525	17.5
97.10144	7.3
98.09682	3.2
103.05531	3.0
105.07027	27.1
106.06581	2.7
107.04955	28.9
107.08588	37.7
109.05850	4.1
109.06519	31.5
109.10144	45.0
110.07188	3.9
110.09709	3.3
111.08066	4.6
111.11712	4.1
115.05497	2.7
116.01563	2.9
116.03469	2.5
117.06997	5.1
119.01642	14.8
119.08552	17.1
120.01159	6.1
120.08127	3.2
120.99550	10.7
121.06503	15.7
121.10134	20.8
123.08099	12.0
123.11696	26.2
125.09624	20.8
129.06960	6.2
131.08565	8.3
133.10129	8.9
134.99606	3.4
135.08057	12.2
135.11693	21.1
137.09595	12.2
138.02216	12.1
145.10104	21.3
147.11673	11.5
148.03943	11.4
149.09615	7.6
149.13245	6.5
151.11162	9.8
157.10085	3.2
159.04494	2.8
159.11647	19.3
161.13297	6.3
163.04005	3.5
163.11133	16.4
164.04271	4.2
166.04990	7.9
166.08728	2.7
175.14902	2.9
177.12787	6.8
177.16481	3.4
188.04143	3.4
190.05057	2.6
201.16370	14.2
206.04805	19.6
214.05713	3.8
219.17422	60.8
220.17696	3.1
242.19008	2.4
255.11342	2.7
262.40988	2.2
268.14026	3.9
283.11047	3.3
284.13647	3.1
285.10040	5.3
301.11841	11.0
312.13263	4.5
343.13016	3.9
356.15598	6.3
374.09201	2.7
374.14090	4.1
374.23007	7.6
374.26971	13.1
375.15555	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	374.196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.3
53.03936	1.0
55.01858	0.5
55.05507	1.8
55.67193	0.3
56.96553	0.6
57.03425	0.4
57.07066	1.9
61.02925	0.3
67.05506	1.4
68.03767	0.3
69.03436	0.4
69.07060	5.0
69.56643	1.2
69.57079	0.9
70.04075	0.4
70.06560	0.4
71.04986	0.3
72.08148	0.4
73.02919	0.3
79.05487	2.3
80.05013	2.6
81.03407	0.6
81.07070	1.3
83.04992	0.3
83.08605	0.8
85.02913	0.4
91.03939	0.3
91.05486	1.0
93.05767	0.5
93.07028	0.8
94.06570	7.6
95.04947	2.5
95.08606	0.7
97.02893	0.5
97.06498	0.3
97.10155	0.7
100.05089	0.6
105.04519	0.4
105.07037	0.9
107.04950	100.0
108.05251	1.5
109.10146	0.5
110.06023	1.0
115.03103	0.3
115.07537	0.6
118.06509	0.2
119.08653	0.4
120.08115	0.4
125.09663	0.3
126.05509	1.1
129.01009	0.9
129.06992	0.3
131.08598	0.4
131.27797	0.3
133.10112	0.3
133.79929	0.2
134.09653	0.3
136.08711	0.5
138.05499	10.8
141.01047	1.2
145.10124	0.3
163.07298	0.9
164.08163	2.3
169.04161	2.6
173.11867	0.3
176.14342	0.4
179.10509	1.3
191.06744	0.8
196.07109	0.7
197.07272	1.4
204.13799	0.9
207.05795	0.4
220.02690	0.5
220.88324	0.3
222.14888	7.1
232.13301	1.3
248.13815	1.1
250.03796	0.3
250.14395	6.3
251.14700	0.3
268.15433	39.9
269.15604	1.2
306.10110	0.6
333.19144	0.4
350.94620	0.4
374.15231	0.5
374.19604	4.6
374.26785	1.3
375.08804	0.5
375.13315	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	374.1962
Annotation	3-epi-2,18-Dimethoxyschelhammericine
Peak:m/z	Relative Intensity
53.03930	0.2
55.01863	0.3
55.05504	0.5
56.96555	0.4
57.03431	0.2
61.02911	0.2
65.03938	3.2
67.05493	0.6
69.03422	0.4
69.07076	0.3
69.80602	0.3
69.81003	0.8
71.01346	0.3
71.04964	0.2
73.02933	0.2
79.05486	0.5
80.05047	0.2
81.03439	0.3
81.07042	0.5
82.07387	0.1
83.08622	0.2
84.08136	0.2
85.02906	0.3
91.05460	0.5
93.03362	0.2
93.07037	0.3
94.06569	0.6
95.04988	0.2
95.08597	0.2
97.02885	0.3
97.10160	0.2
105.07029	0.3
106.06529	0.4
107.04961	0.5
107.08601	0.3
108.08131	0.4
109.02928	0.3
109.10171	0.2
111.04444	3.1
112.07594	0.6
114.16675	0.1
118.94983	0.1
119.08611	0.2
121.02866	100.0
121.10183	0.2
122.03188	2.1
124.07582	1.9
127.03960	0.2
129.64435	0.1
133.10139	0.2
134.10522	0.1
146.09612	0.1
147.11685	0.2
158.09821	0.1
162.09200	0.3
165.05499	0.3
170.11745	0.2
176.10718	0.2
190.12343	0.2
202.12198	0.2
216.13806	0.2
218.15482	0.5
226.08580	0.9
227.09470	0.6
236.16446	5.5
237.16800	0.2
254.17506	11.3
255.17926	0.4
267.08966	0.2
273.10251	0.2
285.10132	0.4
312.23300	0.2
356.18576	6.6
357.19073	0.4
374.19650	6.2
374.26971	3.6
375.20035	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87037	0.6
53.03926	0.7
54.51109	0.6
54.82198	0.6
56.96551	1.0
57.03435	0.8
57.79447	0.6
60.04520	6.6
61.02913	1.8
69.03424	2.6
69.07056	0.7
70.06203	3.5
70.06583	5.8
71.04990	15.1
72.08150	1.2
73.02901	1.1
74.06074	0.8
77.03919	0.7
79.05487	1.5
80.99775	0.6
81.03403	1.2
84.04511	0.7
84.08144	4.0
85.02905	6.0
86.06058	2.7
86.09704	1.7
88.07626	24.1
95.04963	2.0
96.34997	0.6
97.02886	3.3
98.21489	0.8
99.04449	1.0
104.07133	1.3
104.34999	0.7
106.08660	77.8
107.04946	100.0
107.09023	0.8
108.05278	2.1
108.15324	0.8
116.98634	0.9
119.01907	1.3
121.06511	1.2
127.03887	2.2
129.10246	1.6
130.08643	1.8
133.03439	0.7
133.14894	0.7
136.06186	1.4
140.99425	0.6
145.04968	0.8
147.07626	0.7
148.09724	2.8
194.08237	0.8
203.09261	0.8
212.12825	2.7
232.08215	0.8
232.11794	2.0
237.02753	0.9
250.12923	2.1
250.97928	0.6
268.13898	51.9
269.14304	1.5
374.18085	19.9
375.18387	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1725
Annotation	7beta-Hydroxycatuabine D
Peak:m/z	Relative Intensity
64.62660	0.2
69.03391	0.4
70.06560	0.6
70.93652	0.5
71.04965	0.2
72.08154	0.2
73.22215	0.2
81.03400	0.3
84.08105	0.4
85.02872	0.6
86.09682	0.8
91.05488	0.9
93.07018	0.2
95.04926	0.2
96.08110	0.2
97.02863	0.3
98.20874	0.2
98.98454	2.3
101.13942	0.2
105.07055	0.2
106.06542	0.2
107.04939	0.5
109.02869	0.2
111.66147	0.2
118.06537	3.9
119.07283	0.2
120.08062	0.2
124.99998	8.8
127.03883	0.3
132.08060	1.2
133.08850	0.7
134.09601	0.3
144.08078	8.1
145.08890	0.3
146.09625	1.4
157.06346	1.0
158.09608	2.7
159.10435	0.9
160.11183	0.7
162.09116	2.4
172.11191	2.7
173.11960	0.2
176.10797	1.7
176.14336	17.9
177.11429	0.8
190.12225	1.4
194.02960	1.1
202.15894	46.7
203.16234	0.7
212.03981	1.3
220.16945	100.0
221.17279	1.2
243.13524	0.2
247.85196	0.2
265.31604	0.2
266.00107	0.2
300.13568	9.2
356.16309	0.5
374.17285	16.0
374.25034	0.6
375.17581	0.2
382.96002	0.2
393.06750	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.4
55.01862	1.8
57.03439	2.2
64.49637	0.4
65.03925	0.5
69.03425	6.0
69.29273	2.1
69.29697	2.4
70.06573	1.3
71.01364	0.8
81.03403	3.0
85.02895	6.3
87.00832	3.9
87.04498	0.5
91.05473	29.3
95.04975	0.6
95.47522	0.4
96.04493	0.4
97.02885	10.9
99.04463	2.9
105.01851	3.6
107.04945	23.5
108.05331	0.5
109.02869	1.1
109.10210	0.4
115.03929	1.0
119.03563	0.4
119.29686	0.4
127.03903	10.8
127.04800	0.8
136.06178	100.0
137.04587	0.5
137.19916	0.4
143.03345	0.7
145.04959	6.8
148.06155	3.3
213.03970	0.6
231.04973	5.2
242.10352	57.6
243.10674	1.4
249.06071	2.1
306.09329	0.5
324.79477	0.4
374.14566	27.1
375.14978	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74623	0.8
53.03946	1.0
55.01849	0.8
56.05019	1.7
60.04514	0.9
61.02938	1.1
69.03414	1.6
70.06576	2.6
70.33454	1.7
70.33847	1.8
71.01329	0.9
71.04983	0.9
72.08146	1.0
73.02896	1.5
74.06084	4.2
79.05492	1.7
81.03414	1.6
82.50829	0.8
84.04527	2.0
84.08125	2.5
85.02903	2.4
86.09702	4.2
90.05561	2.8
95.04935	2.0
97.02882	3.1
98.06047	0.8
99.00802	0.8
99.04457	1.0
102.05544	8.4
104.12560	0.7
106.08701	0.9
107.04948	100.0
108.05301	2.1
116.07103	1.8
119.04938	1.0
120.08091	3.0
122.07147	0.9
125.02348	3.8
126.05479	0.8
127.03897	3.5
130.05011	0.9
133.04941	1.0
136.06177	60.8
137.04608	1.2
144.06577	2.1
145.68353	0.8
147.04379	1.8
163.03893	1.3
166.08597	1.0
168.06606	0.8
169.14265	0.8
172.06041	1.4
190.07088	12.1
208.08215	2.9
210.05530	0.8
242.10309	1.7
250.09200	8.7
268.10291	75.0
269.10495	1.3
270.12894	0.9
350.94769	1.3
374.15012	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	374.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.3
55.05496	1.1
56.05022	1.3
56.96555	0.9
57.03420	2.2
61.02908	2.6
63.02382	0.5
64.03084	0.7
65.03931	0.9
67.05495	0.9
69.03425	4.0
69.82439	0.6
70.03455	3.3
70.06581	5.9
71.04957	1.3
72.08141	1.7
72.93797	1.0
73.02888	0.7
79.05471	1.7
80.05003	0.9
81.03409	9.2
81.07037	1.2
82.14783	0.6
83.00584	0.7
83.06091	1.8
83.08603	1.6
84.04510	3.3
84.08137	3.0
85.02892	17.0
85.04839	0.9
86.09692	2.2
87.04459	1.3
89.03905	5.3
90.05564	3.1
90.60029	0.7
91.03934	1.3
91.05463	2.2
92.17178	0.7
93.07016	1.4
95.04935	2.0
97.02872	5.1
98.09684	1.0
98.97537	0.7
99.04427	1.0
101.07142	1.3
105.06999	1.2
107.04941	13.0
107.08561	0.7
108.05296	3.4
109.02859	1.9
110.07150	1.1
111.04414	1.0
117.03370	16.0
119.04893	0.8
120.08093	1.0
121.02856	8.0
122.03185	5.0
123.04412	0.6
127.03906	3.0
127.41983	0.6
129.06580	3.0
129.10225	1.4
130.05009	3.8
130.07002	0.8
131.05286	0.8
132.95833	0.8
134.03621	1.9
135.04419	2.2
139.45290	0.6
143.00723	0.8
145.02832	44.7
145.04953	3.7
146.03200	0.9
147.04396	1.5
147.07697	2.2
149.05957	7.2
149.09671	0.7
150.96942	0.7
153.05447	1.4
162.07666	0.7
163.03828	3.5
167.01826	0.7
174.98717	0.6
177.05458	100.0
178.05792	1.7
180.08733	1.7
193.12225	4.4
194.02951	1.6
195.06514	43.7
196.06822	0.7
210.14896	3.3
212.03961	2.8
218.97444	2.0
228.16005	0.7
232.99396	1.0
236.11023	0.8
236.16412	0.7
236.98380	1.6
238.14571	0.6
253.11752	0.8
254.12132	1.4
254.17610	0.8
262.89532	0.7
267.09790	0.8
267.15906	3.4
268.10007	1.2
285.16986	2.0
286.89304	0.7
302.19635	1.0
312.18134	0.9
328.20956	1.0
330.19086	1.4
350.94690	0.9
374.09351	3.8
374.21964	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03733	0.7
53.03936	2.0
55.01870	3.7
57.03424	2.6
61.02912	3.0
64.13586	0.7
65.03937	2.0
68.99798	1.6
69.03423	14.4
71.03148	1.7
71.04972	1.7
73.02913	2.4
81.03414	9.3
84.04490	1.5
84.47804	0.7
85.02901	46.9
86.09695	4.9
87.00825	18.4
89.49114	0.7
91.05479	100.0
92.05827	1.5
97.02893	15.8
99.04447	6.3
99.92825	0.7
105.01864	24.4
105.07052	1.7
108.04484	2.2
108.28618	0.8
109.02872	10.3
115.03941	1.0
117.01841	0.9
126.05493	0.8
127.03911	36.0
129.01869	2.0
129.07037	1.8
132.10233	0.9
133.06421	0.9
145.04948	17.7
145.06599	1.8
147.02873	1.7
157.06483	1.8
159.02902	8.4
162.21133	0.8
171.08058	1.4
175.07516	1.9
181.06537	0.9
189.03964	3.4
199.07574	1.8
209.53635	0.7
213.03828	1.6
230.06604	0.9
231.04979	9.7
242.35223	0.7
249.06102	1.6
321.09598	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
53.21769	0.7
55.01876	1.5
55.05491	1.3
56.05030	3.0
57.03440	0.8
58.06594	1.0
60.04535	2.1
60.08185	0.7
61.02919	2.3
62.36172	0.8
67.05506	1.4
68.05015	1.2
69.03442	5.2
69.07064	2.0
70.06594	20.3
70.97734	1.1
70.98069	0.9
71.04996	1.3
71.06931	1.4
72.08154	12.0
73.08480	1.0
74.06078	1.7
76.02213	1.2
79.05492	2.3
80.04993	1.0
81.03406	4.6
81.07054	0.9
82.06572	1.5
84.04497	8.3
84.08147	14.6
85.02903	18.1
85.08435	1.2
86.06050	1.5
86.09701	13.5
87.10027	0.9
88.03984	1.5
89.03924	5.0
91.03943	1.2
91.05469	3.4
93.07067	1.4
93.36827	0.8
94.06536	1.0
95.04974	1.5
97.02888	5.4
102.05550	0.9
103.05484	1.7
104.10722	1.4
105.07057	1.3
107.04956	7.9
109.02877	1.6
110.07157	5.5
112.08739	1.4
114.05522	1.0
115.08723	1.0
116.07122	2.6
117.03376	15.7
120.08108	6.3
121.06538	1.3
125.00072	0.9
127.03922	3.4
129.06961	1.6
129.10240	10.4
130.05005	2.9
130.06577	1.0
130.08606	0.9
130.10573	1.5
133.06505	1.2
134.03625	2.5
135.04439	4.3
136.07620	1.3
145.02843	44.5
145.04951	3.7
145.06464	1.1
147.07620	1.5
149.05983	6.4
151.10986	0.7
153.05418	1.0
157.06519	1.6
159.09129	0.9
163.03944	3.5
175.07457	0.9
177.05469	100.0
178.05812	2.6
180.08664	1.5
184.07315	1.8
186.05534	1.1
193.12268	2.4
194.11693	0.9
195.06526	44.6
210.14815	1.6
225.09253	0.8
228.08420	1.0
244.10603	1.1
250.14490	0.8
267.15775	1.3
374.21512	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2372
Annotation	Asperugin C
Peak:m/z	Relative Intensity
53.03951	5.5
55.01874	6.9
55.05504	21.9
56.96554	10.9
57.03425	7.4
57.07072	5.0
58.10704	3.8
60.04503	6.2
61.12741	4.6
62.09667	4.5
65.03938	7.1
67.05501	76.3
68.99776	5.8
69.03407	4.2
69.07077	19.4
69.96840	21.7
70.06590	9.3
72.08153	7.7
73.02908	4.8
77.20291	4.1
79.05491	52.3
81.07057	93.8
83.05000	5.3
83.08632	14.7
84.08142	6.9
85.06571	6.5
86.09724	4.5
87.00829	10.8
90.29475	4.6
91.03913	5.4
91.05466	58.1
93.07048	73.2
95.04974	20.3
95.08601	61.6
97.02933	4.3
97.06504	7.7
97.10184	10.8
98.05678	4.3
98.97575	9.1
103.05476	6.1
105.07034	55.1
107.04952	42.2
107.08589	66.0
109.06522	23.9
109.10148	47.1
111.04462	10.9
111.08101	5.8
116.98611	9.6
117.07037	21.0
119.08582	44.2
121.06490	10.5
121.10146	57.8
123.11691	27.6
125.05989	54.8
125.09656	5.5
128.06245	6.8
129.06992	19.9
129.10316	5.4
131.04884	7.2
131.08580	34.2
133.10121	47.2
135.08020	9.7
135.11667	28.4
137.09607	7.0
139.03932	9.7
141.07031	4.4
142.07716	5.2
143.00153	6.0
143.08585	24.8
145.06461	5.5
145.10121	51.6
147.08041	9.4
147.11661	30.7
149.01247	9.4
149.13277	20.3
153.05476	50.8
155.07051	26.3
155.08528	17.1
157.10152	26.8
159.08046	7.7
159.11681	46.4
161.13277	19.0
167.07056	4.8
168.09306	6.7
169.10126	16.9
171.11696	18.0
173.13295	16.7
175.14821	19.5
177.00754	11.5
181.08669	8.1
181.10107	10.2
183.11703	22.5
185.13298	13.1
187.14845	9.7
189.00671	4.6
189.09137	6.3
189.16370	8.3
191.10674	5.9
195.11694	11.9
197.13326	9.4
199.14839	12.4
201.12720	11.5
201.16354	32.1
203.05344	4.8
203.18159	4.9
205.19539	15.0
209.13289	11.1
211.14925	6.5
213.12828	4.7
213.16257	6.7
215.17972	10.9
217.12215	7.0
221.13301	7.9
225.16394	5.6
233.18933	10.9
235.14905	7.0
239.56616	4.4
241.21687	9.9
251.20267	5.9
253.25198	5.1
255.13916	5.4
263.17822	6.9
277.19601	10.8
279.03754	6.4
281.22977	5.0
283.11963	12.4
291.21033	12.2
298.49512	4.6
301.19528	7.1
309.22186	8.5
319.20508	11.6
319.64081	4.9
337.21622	85.7
355.22748	100.0
373.18350	41.4
373.23703	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.6
55.01858	3.0
55.05513	21.3
56.96562	11.1
57.03434	9.0
57.07068	4.0
60.73542	1.9
65.03943	3.1
67.05506	74.2
68.99797	6.6
69.03418	5.6
69.07064	22.7
70.06587	7.0
70.73496	5.1
71.04984	3.4
72.08146	3.2
79.05490	29.8
81.03398	2.3
81.07056	100.0
83.04992	4.2
83.08617	19.9
84.08125	5.4
85.02908	3.1
85.06538	4.7
86.09708	3.5
87.00826	22.1
91.04002	2.3
91.05460	26.5
93.07040	38.0
95.04951	5.4
95.08604	76.1
97.02887	2.6
97.06521	6.4
97.10172	9.7
98.97603	9.7
99.08111	2.9
100.11266	2.4
105.01843	2.8
105.07035	22.9
107.04968	18.3
107.08594	29.0
109.06502	10.2
109.10155	64.3
109.92673	2.1
111.08109	3.2
111.11729	5.0
112.99152	2.5
115.05508	2.3
116.98598	10.4
117.07013	9.5
119.08582	16.1
120.72219	2.1
121.06560	4.3
121.10131	37.8
121.10922	3.9
123.08073	3.9
123.11712	47.0
125.05991	7.4
128.63965	2.0
129.07008	5.7
131.00180	2.7
131.08574	16.1
133.06464	2.7
133.10133	17.0
134.99646	5.9
135.08043	3.8
135.11710	27.3
137.09607	6.1
137.13252	7.1
142.07832	2.5
143.00188	2.4
143.08566	6.5
145.06516	3.8
145.10135	14.2
146.99667	4.9
147.08109	2.7
147.11687	8.2
149.01186	13.5
149.05975	2.8
149.09650	2.7
149.13260	17.6
151.11206	3.4
153.05516	4.9
155.07039	2.6
155.08531	3.0
157.06522	3.0
157.10204	3.4
158.99706	4.2
159.11693	12.0
161.01201	4.9
161.09657	3.6
161.13257	5.7
163.11266	3.2
163.14836	4.5
164.19504	2.8
167.02258	4.9
167.08450	2.4
169.06503	4.2
169.10106	3.2
171.11682	2.8
173.13319	5.4
175.14899	2.7
177.00769	10.4
183.08469	2.9
183.11705	3.2
184.07306	3.7
189.00717	5.8
197.13219	2.5
199.07565	8.9
201.16469	4.5
203.17911	2.8
205.19514	27.4
209.13342	3.1
211.09790	5.0
211.59962	2.6
215.17973	9.7
217.15848	4.3
218.73901	2.3
219.01782	2.5
223.20587	9.4
233.18999	17.1
241.21613	16.0
243.14012	2.3
249.18503	6.6
251.20020	3.7
261.02966	2.6
267.20819	2.1
273.18359	4.9
279.03934	6.5
282.58911	2.7
283.09253	2.6
283.11826	13.7
283.61990	5.7
291.12585	3.0
291.19623	7.8
292.12552	6.3
293.05728	2.9
309.21326	2.7
311.06494	2.4
321.05008	5.7
337.21646	11.4
341.19455	2.6
355.22784	10.4
364.14618	12.2
364.64432	4.3
373.14142	4.0
373.23776	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	373.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.4
55.01872	4.0
55.05513	18.4
57.03436	22.8
57.60747	2.1
59.05005	4.2
65.21085	2.0
67.05505	83.0
69.03069	3.7
69.03427	51.2
69.07041	4.1
71.04987	10.2
73.02907	3.1
79.05481	4.4
80.67472	2.1
81.02971	3.9
81.03416	53.0
81.07056	17.9
83.04979	23.8
83.08605	7.6
85.02904	19.7
87.04474	4.7
91.05486	10.5
93.07021	4.8
95.04964	4.5
95.08587	9.0
97.02888	28.3
97.10184	4.1
99.04465	12.6
105.07055	3.0
107.08587	3.9
109.02872	15.9
109.10161	75.1
111.04433	10.1
111.08061	3.2
111.64500	2.0
119.08589	6.9
125.09632	6.1
127.03897	24.4
129.05466	7.3
137.09599	5.2
140.90547	2.1
143.08539	2.6
155.10666	4.7
157.10112	3.0
173.04506	4.4
173.11731	60.3
189.11237	6.2
208.39908	2.1
209.11763	4.3
229.14319	11.4
286.42737	2.9
299.14960	12.6
310.20343	2.5
355.26483	3.5
373.18546	100.0
390.48615	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	373.1756
Annotation	GS-2
Peak:m/z	Relative Intensity
55.05503	1.1
56.96557	1.7
57.07068	1.0
61.02920	0.8
65.03925	0.5
65.20677	0.4
67.05492	1.5
69.03419	0.7
69.07056	4.6
70.04082	0.6
70.07391	1.2
70.66289	1.0
73.02917	0.8
79.05489	1.1
81.03403	1.3
81.07049	1.3
83.04945	0.7
83.08598	0.7
85.02910	0.6
89.03918	1.8
91.05457	1.0
93.07040	0.8
93.57229	0.4
94.06573	0.6
95.08624	0.8
97.02882	1.2
105.07006	1.0
106.06564	0.5
107.04949	1.0
107.07332	2.2
107.08554	0.8
107.09290	0.4
108.08108	1.8
109.10130	1.1
113.04616	0.4
114.03014	0.6
116.04974	7.1
116.98640	0.7
120.04456	1.5
120.08156	0.5
121.10111	0.6
122.09659	3.0
131.00127	0.6
132.04364	0.5
134.05969	0.8
135.06830	0.8
138.05487	0.4
143.08405	0.5
144.04425	15.7
145.05202	0.5
149.01205	0.9
150.09134	14.4
162.05476	6.5
163.03925	0.5
167.02299	0.7
172.03920	63.3
173.04294	0.6
176.06999	1.1
177.00751	0.6
199.06805	0.4
200.07300	0.8
204.06543	100.0
205.06918	1.0
211.09818	1.0
236.09180	0.5
251.08565	0.8
255.08942	0.4
284.08347	0.5
292.12411	3.7
341.14920	13.3
350.17145	0.6
373.08838	1.6
373.14194	0.8
373.18823	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
55.05516	2.6
56.05028	1.5
57.03427	1.6
60.04517	2.4
60.05624	0.6
62.02991	0.6
65.03940	2.4
67.05485	1.6
68.04994	0.6
69.03412	0.7
69.04589	0.5
69.07068	3.5
69.75481	0.5
70.06592	16.6
70.07391	0.7
70.78846	0.6
71.04968	1.3
71.06965	0.5
71.58580	1.0
72.08154	6.1
74.06078	1.1
76.02217	1.0
77.01083	0.6
79.05491	1.5
81.07043	1.1
83.04977	0.7
83.06097	9.1
84.04501	19.3
84.08138	11.5
85.02892	0.6
85.08485	0.6
86.09702	26.6
87.05582	0.5
87.10041	1.0
88.02200	0.6
88.03969	0.8
91.05435	0.8
93.07045	1.3
95.04955	0.9
95.06087	0.7
95.08596	0.7
96.01889	0.6
97.06519	0.6
98.10457	0.5
98.98489	0.7
100.07557	0.5
100.11266	0.7
101.07142	6.9
102.05523	1.9
103.05450	0.8
104.05305	0.5
104.10738	2.8
105.07023	1.6
107.04950	45.4
107.08595	0.6
108.05280	0.8
109.10175	0.6
110.07160	4.1
111.04443	1.9
111.84749	0.5
112.08675	0.6
115.08691	0.6
116.07090	1.3
119.04916	0.6
120.08099	5.4
121.02864	50.0
121.06419	0.6
122.03210	0.9
122.10425	0.9
124.07560	0.6
125.00021	0.9
129.06595	16.3
129.10240	6.7
130.04999	14.4
130.08662	0.7
132.10201	3.9
133.06499	2.3
136.06158	1.9
136.07600	0.9
137.05969	0.7
138.05527	3.2
140.11551	0.7
143.11807	0.7
147.07605	5.5
147.11359	0.6
149.06085	0.5
152.10687	0.7
157.13431	0.6
159.09113	1.1
166.08638	0.6
169.13403	0.7
172.00772	0.5
182.15466	0.8
183.15706	0.5
184.07356	2.1
185.16377	0.6
187.08577	0.7
190.08623	2.9
193.12061	2.8
196.14467	4.1
197.12875	2.9
201.05490	0.9
203.05208	3.6
207.11272	3.4
210.14880	0.8
211.13118	2.6
211.26752	0.5
213.80536	0.5
214.15489	1.8
224.13885	1.1
229.14305	1.2
231.15831	0.8
232.16225	6.0
235.10638	2.9
242.15034	1.6
249.08905	1.5
250.07126	0.7
253.11801	6.9
267.09811	4.7
337.62921	0.6
338.19415	1.0
355.12994	0.6
355.23355	2.1
373.18317	100.0
374.18564	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75939	0.3
53.03923	0.5
56.05019	0.5
56.70504	0.3
65.03927	3.5
68.80336	0.3
68.99773	0.4
79.05504	0.5
83.06094	10.5
84.04497	19.4
85.02888	0.8
86.09695	0.5
95.04956	1.3
95.86620	0.4
101.07135	10.5
102.05510	0.6
107.04945	75.7
108.05286	1.4
111.04432	3.5
121.02856	100.0
122.03223	1.6
124.07574	0.9
129.06592	22.8
130.04991	22.8
138.05493	4.3
142.91576	0.3
147.07629	10.9
160.29967	0.4
190.08588	5.3
201.05504	0.7
207.11270	5.2
221.09280	0.4
235.10797	4.8
236.09154	0.8
249.08696	2.1
250.07060	1.6
253.11816	12.3
267.09741	11.7
299.04358	0.4
327.13455	0.4
350.36356	0.3
355.12921	1.2
373.13947	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.9
56.96545	0.9
67.05495	2.3
69.54240	0.6
69.55984	5.4
70.06592	1.3
79.05486	1.7
81.03412	1.9
81.07065	1.4
84.49203	0.6
85.02885	1.4
89.25933	0.8
91.05485	2.0
92.91660	0.8
93.07040	1.7
95.04954	1.3
95.08557	1.0
98.20759	1.6
98.97564	0.8
101.00889	1.1
105.07020	1.5
107.04947	6.2
109.02841	0.7
119.01910	5.5
120.08119	1.1
121.10185	0.9
124.07618	0.8
131.01918	2.4
132.07994	0.7
136.07588	1.5
137.02907	1.0
143.01973	0.9
143.08449	0.8
145.03459	2.1
147.04390	1.0
155.01845	1.4
157.03467	0.8
161.02954	1.8
163.03912	1.1
172.03900	2.3
173.02962	1.5
173.06038	0.8
176.06580	0.7
187.00835	0.9
199.03896	3.4
201.05515	1.4
203.04063	1.2
203.07341	0.8
204.06532	2.8
213.05359	1.4
217.04916	1.6
250.12149	1.0
267.11093	1.0
267.13699	1.6
271.04141	1.3
273.66919	0.8
283.13181	0.8
287.14584	3.0
305.14493	3.2
306.70819	0.7
311.12717	4.0
321.12238	1.7
323.15332	2.8
325.11310	1.3
329.15704	18.1
355.15649	1.8
373.14630	100.0
374.15384	3.7
379.78055	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1262
Annotation	3,5,6,7,8-Pentamethoxyflavone
Peak:m/z	Relative Intensity
55.05501	2.8
56.05030	3.8
56.96558	3.7
57.03431	1.0
58.06588	1.6
60.04515	2.8
60.95835	1.1
67.05495	1.9
69.03401	1.3
69.07066	2.6
70.06588	28.0
70.82896	2.6
70.83261	1.5
71.06917	1.8
71.62976	0.9
72.08155	21.0
74.06094	1.6
75.09225	1.2
75.32100	1.0
79.05493	1.8
83.06083	2.6
84.04496	12.0
84.07628	1.5
84.08142	29.8
85.02887	2.9
85.07646	2.6
86.06059	1.4
86.09706	28.2
87.05572	1.6
88.03966	2.9
91.05442	9.2
93.07066	1.8
97.02856	2.0
101.07129	1.7
102.05519	3.2
102.96871	1.3
104.10764	1.5
105.07024	1.4
107.04953	10.1
109.02857	1.0
110.07172	6.2
112.08752	1.4
115.08600	1.2
116.07096	1.4
116.98614	1.9
117.05759	1.5
120.08107	6.5
121.02890	5.6
121.06496	1.3
121.10095	1.4
128.98657	1.0
129.06592	2.6
129.10239	21.1
130.04994	3.8
130.06519	1.5
130.08624	1.4
134.99686	1.2
136.06238	1.1
136.07506	1.5
138.98935	1.8
143.11777	2.3
144.08151	1.1
147.07637	2.2
147.11284	1.5
157.13364	1.4
175.08731	1.6
175.11946	1.3
184.07326	2.8
185.07118	3.0
187.06322	1.9
187.10867	1.1
199.18048	1.4
205.07498	1.2
223.01212	1.2
224.17609	1.1
227.08089	6.8
229.07443	7.3
229.14636	1.0
241.02065	3.1
242.18614	1.6
244.10876	3.4
247.08557	8.7
252.08919	1.2
331.06729	3.7
373.12527	100.0
373.28046	2.8
374.12943	4.0
391.13229	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.8
56.05030	3.8
56.96558	3.7
57.03431	1.0
58.06588	1.6
60.04515	2.8
60.95835	1.1
67.05495	1.9
69.03401	1.3
69.07066	2.6
70.06588	28.0
70.82896	2.6
70.83261	1.5
71.06917	1.8
71.62976	0.9
72.08155	21.0
74.06094	1.6
75.09225	1.2
75.32100	1.0
79.05493	1.8
83.06083	2.6
84.04496	12.0
84.07628	1.5
84.08142	29.8
85.02887	2.9
85.07646	2.6
86.06059	1.4
86.09706	28.2
87.05572	1.6
88.03966	2.9
91.05442	9.2
93.07066	1.8
97.02856	2.0
101.07129	1.7
102.05519	3.2
102.96871	1.3
104.10764	1.5
105.07024	1.4
107.04953	10.1
109.02857	1.0
110.07172	6.2
112.08752	1.4
115.08600	1.2
116.07096	1.4
116.98614	1.9
117.05759	1.5
120.08107	6.5
121.02890	5.6
121.06496	1.3
121.10095	1.4
128.98657	1.0
129.06592	2.6
129.10239	21.1
130.04994	3.8
130.06519	1.5
130.08624	1.4
134.99686	1.2
136.06238	1.1
136.07506	1.5
138.98935	1.8
143.11777	2.3
144.08151	1.1
147.07637	2.2
147.11284	1.5
157.13364	1.4
175.08731	1.6
175.11946	1.3
184.07326	2.8
185.07118	3.0
187.06322	1.9
187.10867	1.1
199.18048	1.4
205.07498	1.2
223.01212	1.2
224.17609	1.1
227.08089	6.8
229.07443	7.3
229.14636	1.0
241.02065	3.1
242.18614	1.6
244.10876	3.4
247.08557	8.7
252.08919	1.2
331.06729	3.7
373.12527	100.0
373.28046	2.8
374.12943	4.0
391.13229	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	5.2
56.05034	4.1
56.79928	1.6
56.96556	2.2
58.06609	2.7
59.44514	1.8
60.04502	3.3
60.16081	1.7
65.03927	2.7
67.05493	3.5
69.03412	3.8
69.07051	3.2
69.39439	13.9
69.39851	4.8
70.06590	25.9
72.08147	27.4
73.02931	3.6
74.06039	3.3
75.09225	1.9
76.65588	2.3
79.05492	4.5
81.03409	5.3
81.04532	4.6
81.07053	4.7
82.06593	2.1
83.06106	13.7
83.06580	2.3
83.08618	4.3
84.04497	27.9
84.08143	20.6
85.02893	7.9
86.06069	4.2
86.09695	13.9
87.04440	5.4
89.06026	81.2
91.05448	4.9
93.07036	3.4
95.04948	4.7
95.06107	4.8
96.04478	2.1
97.02882	4.7
97.06538	1.8
98.06052	5.4
100.11247	3.6
101.07144	11.9
102.05535	3.0
103.05434	2.1
105.06991	3.5
107.04951	100.0
107.07018	4.1
107.08618	2.5
108.20350	2.0
109.06415	2.0
109.10121	2.4
110.07149	10.5
111.04438	5.5
112.07599	1.8
112.08698	3.1
112.11211	5.2
116.98616	2.4
119.04945	2.8
120.08080	5.3
121.02859	84.7
124.07550	2.9
124.08714	4.3
128.07028	2.1
129.06567	23.8
129.07336	2.0
129.10223	6.1
129.13882	3.3
130.04138	3.1
130.04994	27.0
131.07002	1.8
133.08595	62.1
136.06184	16.5
136.07587	3.9
138.05475	5.7
138.77933	1.9
140.30312	1.9
146.06010	2.7
146.16499	8.1
147.04401	2.6
147.07611	11.9
157.06349	7.3
165.02100	5.7
177.11229	19.9
179.26468	2.2
182.15482	3.1
183.15817	4.6
190.08615	7.9
192.03242	15.1
192.06569	3.1
193.04004	5.7
201.05388	3.1
207.11292	4.9
210.04272	47.4
210.07584	6.8
210.14790	2.9
211.04454	2.2
211.15242	6.2
221.13855	2.1
234.99036	2.6
235.10727	5.5
239.14926	4.5
253.11801	14.0
256.09705	2.0
266.17325	3.4
267.09680	13.3
283.17459	2.6
284.18469	3.2
293.12885	2.0
327.20093	38.6
337.24573	2.3
338.21521	5.6
354.19193	2.3
354.23566	2.9
354.27301	10.1
355.24319	4.2
372.09625	29.5
372.14136	3.6
372.20496	6.0
372.24997	9.2
373.13837	6.7
373.18701	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	372.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13263	2.7
56.96565	7.3
59.44001	2.7
60.77818	3.2
67.05499	3.6
71.59319	5.8
77.00907	25.5
79.05494	4.3
81.07072	6.4
84.08133	4.6
86.09669	3.3
91.05451	6.9
93.07015	4.5
95.01939	27.6
95.08575	2.9
100.02499	3.8
105.07024	9.0
107.04978	4.1
113.93420	3.5
117.07018	5.9
125.08790	3.1
131.01953	4.7
131.08582	7.7
136.56699	2.7
143.08528	7.1
157.10158	4.5
187.08195	3.3
202.95959	2.9
203.09186	4.8
205.09244	6.1
221.10213	5.9
246.01833	3.7
247.11731	5.5
273.13385	16.9
275.15134	4.4
291.14505	9.9
295.15320	4.1
296.14853	4.6
313.16431	41.9
314.16916	4.5
331.17609	100.0
332.17804	9.0
336.17596	3.5
349.18842	34.8
354.19229	13.4
372.19006	2.9
373.18573	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	372.249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.4
56.96555	1.8
57.03444	1.1
62.06086	1.4
64.79301	0.7
67.05497	2.8
69.07068	0.9
69.33704	2.0
69.34120	5.9
70.06583	2.2
71.08634	1.5
72.08179	0.8
78.22594	0.8
79.05492	1.5
81.07062	2.8
83.08633	1.2
84.08142	1.3
86.06062	2.2
86.09703	100.0
87.10047	1.4
90.03413	0.8
91.05477	1.7
93.07025	1.8
94.07395	0.7
95.04965	1.1
95.08577	1.7
97.06560	1.0
99.08121	0.9
107.04956	5.1
107.08621	1.5
108.05285	1.0
109.10169	1.2
114.05556	1.6
119.08562	1.1
121.06523	1.4
131.04903	0.8
133.10049	1.0
146.11755	17.8
146.12946	1.1
157.06453	1.0
171.11539	0.8
180.26016	0.8
189.11238	1.1
227.13878	3.8
234.46317	0.8
253.11165	1.2
259.20193	4.4
271.12213	1.4
285.00696	0.8
286.08224	0.8
294.24207	0.8
349.16876	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86181	3.7
53.03934	4.6
55.01870	6.7
56.05018	3.8
56.96550	6.6
57.03436	10.6
57.70465	4.0
61.02921	12.9
63.16734	5.0
69.03434	39.3
70.03028	23.2
70.06596	37.4
71.01353	6.1
72.08154	9.5
73.02919	74.8
73.04750	8.8
81.03403	4.9
83.41141	3.9
84.04495	13.4
84.08157	29.0
85.02428	8.2
85.02906	100.0
86.09713	12.3
91.03951	5.5
91.05807	62.4
97.02895	59.8
98.21511	4.4
98.97591	8.8
99.04443	8.4
103.03999	4.7
105.40974	4.0
107.04935	19.6
109.02870	10.1
110.07153	10.4
115.03933	30.7
116.07131	4.5
116.98660	4.1
117.12945	3.9
127.03906	33.9
129.10265	11.9
133.04945	35.5
136.07596	9.9
145.04962	62.5
147.06516	5.1
147.19261	4.3
163.05998	25.6
164.80228	4.0
195.01730	6.8
195.32797	4.4
223.06065	5.0
230.68623	4.5
241.07050	6.9
250.09494	4.1
259.08090	7.4
269.97943	13.6
286.01028	16.0
304.02197	5.4
325.37778	4.7
356.07083	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	372.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96293	0.7
56.96561	9.2
57.86909	0.3
67.05504	0.5
69.07067	0.7
70.34997	1.5
71.95261	0.9
72.96037	0.6
77.37012	0.3
91.05456	0.4
98.97546	0.9
110.97587	1.1
116.98637	0.9
128.98575	1.8
137.02675	0.4
146.99652	3.2
149.01237	1.1
151.00656	0.4
155.03775	0.6
157.01688	0.6
161.01199	0.6
165.00725	0.6
169.05392	0.4
171.03290	1.5
175.02818	0.4
183.03346	0.5
185.04820	1.3
189.04305	1.4
199.06384	3.0
203.05899	4.0
205.07486	0.8
207.05257	0.4
207.27895	0.4
210.02022	0.5
211.06407	0.8
213.07880	0.8
217.07458	7.3
219.03302	0.6
221.06905	0.9
223.02794	1.3
223.06432	0.6
223.08504	1.2
225.04361	0.5
225.07898	0.4
226.05139	1.3
229.07318	0.8
237.04324	3.6
237.07980	0.5
239.09471	0.5
241.03883	0.6
241.07475	0.5
249.08037	0.6
251.05859	0.6
253.11084	0.8
255.05363	1.3
262.08673	1.0
267.09213	1.9
271.12167	0.5
279.08972	0.8
280.09763	3.0
281.10428	0.6
285.09882	0.8
298.10733	1.9
299.11844	0.4
307.15866	2.1
325.16867	0.7
331.15631	15.9
332.16171	0.8
348.18295	0.4
349.16818	100.0
350.17105	3.5
367.17886	5.5
372.18451	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	372.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26483	0.4
53.03925	0.4
55.01863	1.3
55.05508	9.3
56.05027	0.6
56.31887	0.3
57.03437	9.9
57.07086	0.6
59.04998	0.7
59.87608	0.3
60.04520	0.5
64.56059	0.3
65.03918	0.6
65.51688	0.3
66.76941	0.3
67.05504	4.4
69.03412	0.9
69.07068	36.1
70.06594	5.0
71.04985	2.2
71.06910	0.3
71.57908	0.3
72.08160	2.1
73.06530	0.8
79.05077	0.5
79.05495	6.9
81.03384	0.5
81.07056	9.7
83.04990	4.0
83.06087	2.1
83.08605	1.5
84.04499	4.9
84.08148	3.3
85.02911	0.5
85.06526	0.5
86.06075	0.4
86.09702	4.0
91.05444	0.7
93.07043	13.9
95.04976	0.9
95.08601	6.5
97.06526	6.5
97.09544	0.5
97.10170	8.8
98.06026	0.6
98.98470	1.9
101.06001	1.5
101.07130	1.7
102.05546	0.4
105.07029	0.5
107.04959	11.3
110.07162	1.1
111.04433	0.5
111.11716	3.4
115.11144	0.7
120.08121	1.6
121.02868	14.7
121.10146	12.5
124.01583	0.4
124.07635	0.4
129.06593	3.3
129.10229	1.7
130.05006	3.3
136.07571	0.5
137.05931	0.4
138.05524	0.8
139.11180	14.6
147.07645	1.5
155.01013	0.7
157.12256	2.7
173.02068	0.5
184.07327	0.8
190.08656	0.8
200.16515	1.8
207.11288	0.8
207.14867	0.4
216.06177	0.5
231.15909	100.0
232.16240	1.5
233.19173	0.3
235.10797	0.5
249.08800	0.4
253.11856	1.1
264.15637	0.3
267.09860	1.2
320.64929	0.4
372.18756	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27017	0.7
56.96287	1.4
56.96561	27.7
57.07074	12.5
67.05507	0.9
70.04068	0.8
71.35080	1.0
71.35385	0.8
71.95249	3.2
74.97600	1.0
79.05486	12.6
81.07034	1.5
87.04467	5.0
91.05475	6.7
98.97585	1.6
105.07009	1.6
107.08601	2.7
109.06523	1.2
110.97652	0.9
115.97848	0.9
116.98596	1.2
121.01723	1.0
121.51869	0.8
123.01178	1.9
126.87855	0.8
128.98590	5.3
133.01718	1.1
134.99608	1.2
141.02226	1.9
144.95721	0.8
146.99625	7.6
149.01248	0.8
155.03818	1.5
159.03311	1.0
161.01250	1.8
165.00731	1.5
167.03871	0.8
169.01779	0.9
169.05435	1.1
170.07130	1.4
171.03331	2.6
173.04791	3.9
181.05460	0.9
184.08736	2.4
185.04790	1.2
187.02805	2.1
189.04329	3.9
191.04291	0.8
191.05956	4.2
195.06979	1.6
197.04993	1.1
199.06483	2.6
201.08041	1.6
201.28099	0.8
202.05087	1.0
203.05849	4.5
205.07436	1.2
211.06570	0.9
217.07443	5.2
219.09018	2.4
223.06436	1.0
225.04370	2.5
225.08049	1.3
227.05881	1.6
229.07457	2.4
237.02061	0.8
237.04396	0.9
241.07501	1.2
243.09068	9.6
245.06941	1.4
247.08455	1.8
252.15004	2.1
253.07532	1.3
255.09044	2.3
261.10120	5.7
266.10553	1.6
267.09033	0.9
268.09747	1.4
270.15985	3.5
271.08493	1.8
273.10132	2.5
279.99490	0.8
281.10596	1.4
299.11752	2.3
305.10278	1.0
318.04797	0.9
329.14063	1.7
331.15768	57.0
332.16165	1.8
349.16837	100.0
350.17215	2.9
367.17926	17.5
372.18298	18.7
372.22833	3.9
372.31042	2.5
373.18811	1.7
390.19403	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	372.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59015	0.8
54.81783	0.7
55.01867	1.4
55.05509	8.2
56.05033	1.1
57.03435	5.6
60.04505	1.1
62.05791	1.5
62.06091	25.1
67.05504	5.3
69.07070	30.4
69.48766	4.0
69.49190	2.3
70.06596	10.5
71.04998	1.6
72.08149	3.4
79.05499	4.2
81.07063	6.7
83.04977	2.6
83.08606	1.1
84.04493	2.6
84.08162	5.0
86.06084	0.8
86.09701	6.6
86.19838	0.8
93.07043	9.6
95.08624	6.4
97.06545	5.4
97.10165	6.2
97.81609	0.7
98.06045	0.9
98.98470	24.3
101.05999	0.8
105.07053	0.8
107.04960	1.8
109.10175	1.3
110.07178	1.7
111.11716	2.7
116.99458	1.1
120.08096	0.9
121.10156	8.5
123.14949	0.7
124.01584	1.4
129.10236	1.9
139.11185	10.5
142.02605	1.0
155.01048	34.4
157.12207	1.9
173.02109	5.6
200.16499	4.9
231.15923	100.0
232.16351	1.0
282.10873	0.7
293.11450	2.0
311.12537	16.3
329.14035	1.1
354.16806	2.7
372.17697	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	372.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.01862	2.1
55.05521	1.1
56.05024	3.3
57.03416	2.4
58.06599	1.8
60.04527	2.5
61.02917	2.0
67.05495	0.9
68.05029	0.9
69.03423	6.7
69.65371	0.7
69.94318	3.7
70.06593	18.2
71.04988	0.9
71.06916	1.4
72.08168	6.2
73.73184	0.7
74.06081	1.1
79.05479	3.1
79.76385	0.7
81.03404	2.9
83.04999	0.8
84.04510	7.2
84.08141	7.9
85.02907	17.8
86.06062	8.7
86.09705	5.1
88.04018	1.0
91.05383	1.7
91.05801	4.1
92.05706	1.6
93.07040	4.2
95.04958	2.5
95.08642	0.8
97.02904	6.2
99.04515	0.8
102.05527	1.4
103.05476	6.7
103.98764	0.7
105.07032	14.2
107.04952	100.0
108.05307	2.1
109.02897	1.7
110.07162	3.1
115.05492	0.7
115.08652	1.1
116.07125	1.4
117.07012	1.4
119.04968	2.5
119.08570	1.0
119.21213	0.7
120.08105	1.7
121.06503	19.5
123.04424	5.7
127.03891	4.5
129.07014	1.4
129.10251	3.3
130.04999	1.3
131.04913	4.5
132.08081	1.2
132.10258	1.5
133.06491	27.1
133.08757	0.8
134.05956	0.9
135.06830	1.5
136.07590	2.5
137.06046	1.6
145.04956	2.2
145.06471	5.7
146.06004	1.2
146.09612	1.2
147.04416	1.4
147.06810	0.8
147.08055	3.7
148.07573	3.2
149.05974	43.6
150.09140	30.2
151.07553	2.4
157.06549	1.0
159.06792	1.2
160.07576	1.8
161.08299	0.9
162.09137	12.7
164.10696	4.5
166.08615	1.9
167.07025	7.0
174.09128	5.7
175.07571	3.0
190.08644	1.0
192.10184	24.8
193.08620	4.8
210.11258	15.0
211.09492	0.7
240.13498	0.9
269.97937	1.2
285.01297	0.8
286.01102	1.8
312.14343	6.3
354.15579	2.2
372.16461	9.1
373.13980	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.8
55.01869	5.4
55.05512	2.4
56.05046	3.4
57.03439	5.6
60.04528	4.2
61.02921	8.2
63.96017	1.3
65.03938	1.4
68.05035	1.5
69.03429	20.3
69.82976	5.1
69.83385	2.7
70.06591	18.3
70.89837	1.4
71.04987	3.2
72.08167	5.1
73.02924	4.0
74.02063	1.3
74.06097	1.7
78.70638	1.4
79.05495	3.5
81.03411	11.0
81.07072	1.8
82.06564	2.3
83.04998	1.8
83.06121	4.6
83.24609	1.4
84.04498	11.1
84.08121	7.8
85.02901	51.5
86.06080	5.0
86.09696	7.6
87.04483	3.2
91.03989	1.7
91.05459	8.2
93.07060	3.5
95.04974	2.3
95.06113	5.1
97.02889	19.8
99.04468	3.5
100.07630	2.3
100.11257	2.3
101.07129	3.2
103.03985	1.6
103.05464	8.2
103.68550	1.3
105.07021	16.8
106.06548	6.5
107.04953	100.0
108.05294	2.0
109.02887	5.4
110.07172	7.8
111.04472	3.5
112.07589	1.5
112.08770	2.7
116.07146	1.6
117.07019	2.4
119.08643	3.0
120.08085	3.2
121.02868	22.0
121.03712	2.0
121.06502	16.4
123.04460	4.7
127.03914	8.3
129.06902	4.9
129.10257	4.0
130.05032	5.9
131.04958	5.5
131.07301	2.0
132.08092	2.7
133.06488	41.3
135.08105	3.0
136.06183	1.9
137.05989	1.9
145.04996	10.9
145.06496	3.2
146.06035	1.9
146.09671	4.1
147.04376	2.9
147.07988	6.1
148.07582	6.0
149.05986	45.2
150.09142	31.9
151.07532	2.9
157.06499	3.9
159.06802	1.6
162.09138	14.8
163.06125	1.7
163.07480	2.0
164.10800	3.6
166.08640	3.2
167.07040	10.8
174.09157	12.1
174.13535	2.0
175.07487	7.7
176.10809	2.3
182.15411	1.5
183.15741	2.5
190.08591	3.1
192.10201	34.8
192.14711	4.0
193.08624	5.6
193.10414	2.0
201.05527	2.2
207.11345	1.6
209.15334	1.9
210.04404	9.8
210.11258	52.3
211.15213	3.9
215.13916	1.4
250.09325	1.9
253.11980	2.9
267.09814	2.8
302.99780	1.8
338.21347	1.8
355.24219	2.4
372.09702	3.7
372.16644	15.8
372.20963	5.4
373.14194	7.6
373.18237	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	372.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.2
55.01861	6.7
55.05499	7.8
56.05023	8.3
57.03431	3.9
60.04520	7.9
61.02929	12.0
62.06065	2.6
68.05027	3.3
69.03425	26.6
69.07055	4.3
70.02966	2.5
70.06592	69.8
70.16979	10.8
71.04955	2.6
71.06920	3.1
72.08149	26.0
73.02910	6.7
74.06097	3.2
79.05489	8.0
81.03416	13.6
81.07063	2.6
82.06563	3.9
83.06109	4.1
83.08609	5.4
84.04494	23.0
84.08139	38.7
85.02901	69.9
86.06065	7.9
86.09704	35.7
87.04441	3.0
88.04012	2.9
91.03961	2.8
91.05411	3.2
91.05832	3.4
93.07049	4.1
94.90888	2.5
95.04951	4.8
97.02880	25.4
98.20690	2.3
99.04443	3.5
100.02195	2.9
102.05524	3.6
103.05462	12.8
105.07035	22.7
105.97822	3.2
107.04951	100.0
109.02839	5.9
110.07175	14.6
111.08073	3.1
112.08701	2.9
115.08691	4.0
116.07079	5.8
117.06990	3.5
119.04910	4.6
119.08588	5.6
120.08107	10.9
121.06499	23.1
123.04441	4.5
127.03912	16.7
129.06993	10.4
129.10225	15.1
130.04973	4.9
131.04935	7.3
132.08055	4.9
133.06468	46.3
136.07552	3.2
141.10252	2.5
143.11864	2.4
145.04951	13.3
145.06448	9.1
146.06071	3.4
146.09654	5.5
147.06757	3.0
147.07950	5.1
148.07550	9.5
149.05969	62.7
150.09135	42.2
151.07536	3.8
156.07649	2.5
157.06517	8.1
159.06621	2.3
160.07663	4.2
162.09126	17.3
162.58995	2.6
164.10748	2.9
167.07019	11.4
174.09106	18.7
175.07532	9.3
187.52032	2.3
192.10196	38.7
193.08643	10.4
193.10411	2.4
210.11264	65.0
213.11191	3.5
231.12276	8.0
263.21704	2.9
372.16443	16.0
372.21097	5.4
373.13818	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	372.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
56.93382	0.9
56.96562	2.0
60.04512	1.5
69.03076	1.0
69.03417	5.8
70.06585	10.1
71.06889	1.1
71.58758	1.0
71.59127	1.5
79.05485	1.9
81.03404	2.6
82.06544	1.2
84.04489	1.5
84.08120	1.6
85.02890	4.5
86.06058	9.7
86.09663	1.5
87.04462	14.3
91.05779	3.9
95.04954	1.7
97.02886	10.5
98.06048	20.8
98.97587	2.2
99.04445	1.3
103.03902	1.1
104.07087	3.7
107.04948	100.0
108.05269	2.7
109.02840	2.4
110.06026	1.7
112.07605	1.2
116.07093	7.0
116.98613	1.8
121.06493	1.2
124.07606	1.6
126.80676	1.0
127.03912	2.6
128.07065	5.8
134.03609	1.7
134.06099	1.1
134.99675	1.2
135.23764	1.1
136.06184	3.4
143.05826	1.1
146.05922	1.3
146.08063	1.5
146.99626	1.1
147.06447	1.3
148.07549	1.6
149.05936	1.1
150.05521	1.2
151.07445	1.1
164.07074	2.5
168.50398	1.1
180.03897	1.1
182.08087	7.4
192.06564	1.7
194.08173	4.1
210.11237	1.3
212.09157	1.6
230.10228	14.8
237.02933	2.2
248.11282	71.5
249.11714	1.4
250.28662	1.0
260.04401	1.9
266.12363	23.5
323.10776	1.1
354.15103	7.5
372.16284	10.9
372.20306	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.3
55.05508	4.3
55.93515	5.7
56.94303	3.1
57.06858	0.9
57.07075	10.4
63.19312	1.1
65.06170	0.9
66.39018	0.8
67.05495	4.4
68.94291	1.2
69.07061	11.5
70.07840	2.0
70.50108	3.2
70.95866	5.9
72.93782	13.6
76.31481	1.0
79.05477	6.9
81.03404	1.9
81.07052	4.3
83.04855	2.4
84.65560	0.9
88.96878	2.6
89.94018	1.0
90.94823	8.6
91.05466	14.5
93.07039	4.8
95.04957	1.9
95.08582	1.8
97.02880	1.2
103.46972	0.9
105.07030	11.5
107.04952	21.5
107.08578	2.2
108.95821	4.6
109.10158	1.1
110.03542	1.4
112.00784	2.3
115.05450	1.3
115.07565	8.1
117.07021	3.1
119.08613	6.1
124.07553	3.0
128.96326	1.7
129.07002	2.4
131.08530	2.1
131.97472	1.9
133.10115	1.3
134.97379	1.5
138.98398	2.2
141.07024	1.5
143.08595	2.3
144.99463	2.9
145.10202	1.6
146.97397	2.2
147.11700	1.6
148.98952	1.6
151.02040	2.0
153.04654	3.3
154.97911	1.5
159.00984	1.3
161.09624	1.7
162.96883	1.6
164.99936	5.1
165.97069	1.8
166.97929	2.4
167.10583	2.8
170.97308	1.3
175.02066	1.1
176.91003	6.4
178.97942	3.8
179.01573	1.7
180.99466	1.6
181.04135	24.2
182.04503	1.8
183.98149	1.1
184.98946	2.1
187.00586	1.7
189.03633	1.0
190.74097	0.9
192.99399	2.5
193.03044	1.6
195.01060	1.7
196.06485	27.5
196.99095	1.1
197.06786	1.5
199.00496	1.3
199.02080	2.3
200.02835	1.4
201.03596	2.0
204.90535	10.9
207.01050	1.5
213.03699	2.4
214.04420	1.4
215.05118	2.0
218.92058	2.8
220.98941	1.1
225.03673	1.6
227.05278	3.1
228.05432	0.9
229.06993	1.2
231.00896	1.2
236.99690	1.0
239.05229	2.5
240.05927	1.6
242.07794	1.1
243.06786	4.0
251.05215	2.0
252.05916	1.6
253.06802	1.6
254.07239	1.6
266.17438	6.7
267.10748	1.4
271.09845	1.4
274.98306	20.4
275.07370	1.4
275.98810	1.0
277.06686	2.0
279.08295	7.2
281.09824	12.2
283.11462	3.5
285.11835	2.2
289.08929	1.3
301.08929	1.6
325.08716	1.7
327.10330	2.7
329.09058	0.8
329.11948	41.6
331.13522	100.0
332.13800	4.9
347.13126	1.4
349.14508	13.7
370.14517	2.9
372.01028	10.7
372.16272	9.6
372.21628	4.7
372.30753	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.0954
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.5
53.03932	1.1
55.01856	0.8
57.03432	2.4
61.02918	2.6
65.48541	0.4
69.03426	7.6
70.06586	3.2
71.04982	1.5
71.35317	0.9
72.08147	0.9
73.02907	2.2
77.54351	0.4
79.05478	0.6
81.03404	2.7
85.02897	20.1
86.09692	1.3
87.04458	2.9
89.06024	0.5
91.03931	1.3
91.05474	1.4
97.02894	5.5
99.04440	2.0
101.02286	0.4
102.04654	2.6
103.03925	0.6
107.04942	2.8
109.02865	1.8
111.04446	0.4
119.01626	1.1
119.04909	0.7
119.24681	0.4
120.08114	0.5
121.06538	0.6
122.02707	0.8
122.99969	7.9
127.03907	5.2
129.04517	0.9
136.06021	0.4
136.07552	0.4
137.01538	0.7
137.62968	0.4
138.01038	3.5
145.04985	3.6
149.05994	0.4
153.02101	0.9
157.06339	7.9
165.02136	4.3
180.03229	3.3
192.03220	77.2
193.03906	2.5
194.04834	0.5
194.09279	0.5
210.04276	100.0
211.04607	1.8
227.12814	0.6
233.05809	1.4
240.10162	0.7
243.49452	0.4
252.05237	0.7
258.11249	0.6
266.15652	0.5
273.12875	0.4
286.10660	0.7
328.21036	0.7
336.17487	0.4
354.08450	0.4
354.13318	0.5
372.09625	5.5
372.14218	0.8
372.23660	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	3.5
55.93514	5.8
56.94298	2.7
56.96547	3.0
57.07061	2.7
67.05483	6.5
69.07049	6.0
69.41870	1.8
69.65258	10.3
70.04058	1.8
70.95844	3.5
72.93771	13.0
79.05468	5.6
81.03390	2.6
81.07034	7.6
88.07610	2.5
90.94819	7.0
91.05462	13.1
93.07033	6.7
95.08594	4.8
98.20735	2.8
105.07005	13.6
107.04945	10.5
107.08628	3.1
108.95866	5.2
115.07539	2.5
117.07001	4.6
119.08572	8.4
126.98392	2.4
129.07013	3.1
131.08531	2.1
133.10135	2.9
143.08492	2.7
144.99416	2.4
145.10110	3.1
147.11646	2.7
150.96867	2.2
153.04747	2.5
164.99980	3.9
176.91119	2.1
178.97861	4.4
181.04131	6.6
183.98151	2.7
184.98880	3.8
192.99620	3.0
196.06454	10.0
201.03604	2.4
203.01617	2.2
204.90506	2.8
214.99898	1.7
216.99359	2.2
227.05193	3.3
242.03699	1.9
243.06779	3.4
267.10770	3.4
274.98303	5.1
277.06842	2.0
279.08310	9.7
281.09888	12.5
283.11652	3.4
285.11813	3.0
289.08884	2.7
329.11954	37.2
331.13495	100.0
332.13870	3.1
349.14645	7.8
370.14447	5.6
372.01001	3.7
372.16693	11.2
372.20877	10.8
372.25699	2.1
372.30597	3.2
372.34808	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	372.0954
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.5
53.03932	1.1
55.01856	0.8
57.03432	2.4
61.02918	2.6
65.48541	0.4
69.03426	7.6
70.06586	3.2
71.04982	1.5
71.35317	0.9
72.08147	0.9
73.02907	2.2
77.54351	0.4
79.05478	0.6
81.03404	2.7
85.02897	20.1
86.09692	1.3
87.04458	2.9
89.06024	0.5
91.03931	1.3
91.05474	1.4
97.02894	5.5
99.04440	2.0
101.02286	0.4
102.04654	2.6
103.03925	0.6
107.04942	2.8
109.02865	1.8
111.04446	0.4
119.01626	1.1
119.04909	0.7
119.24681	0.4
120.08114	0.5
121.06538	0.6
122.02707	0.8
122.99969	7.9
127.03907	5.2
129.04517	0.9
136.06021	0.4
136.07552	0.4
137.01538	0.7
137.62968	0.4
138.01038	3.5
145.04985	3.6
149.05994	0.4
153.02101	0.9
157.06339	7.9
165.02136	4.3
180.03229	3.3
192.03220	77.2
193.03906	2.5
194.04834	0.5
194.09279	0.5
210.04276	100.0
211.04607	1.8
227.12814	0.6
233.05809	1.4
240.10162	0.7
243.49452	0.4
252.05237	0.7
258.11249	0.6
266.15652	0.5
273.12875	0.4
286.10660	0.7
328.21036	0.7
336.17487	0.4
354.08450	0.4
354.13318	0.5
372.09625	5.5
372.14218	0.8
372.23660	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45425	1.7
51.32866	1.5
53.03939	2.5
55.01860	3.2
55.05511	35.5
55.63192	1.5
56.96565	24.9
57.03433	20.2
57.07075	14.6
65.03931	2.7
67.05503	81.2
69.07069	31.7
71.04983	5.4
71.08630	28.0
71.59459	3.2
71.95270	2.4
79.05492	32.7
80.13725	1.8
81.07058	100.0
83.04982	6.4
83.08613	27.2
84.08146	2.0
85.06548	4.3
85.10168	20.2
88.06986	1.9
91.05451	24.7
93.07038	33.2
95.04993	4.8
95.08608	82.9
97.06525	6.8
97.10185	4.9
99.08097	27.6
101.05991	2.4
105.07027	19.3
107.04955	2.4
107.08590	25.2
107.55511	1.8
109.10140	22.6
111.08088	3.2
113.09641	33.6
117.07023	4.3
119.08573	16.0
121.10139	17.7
123.08128	3.8
123.11694	11.9
125.09580	3.1
127.11230	1.8
129.05449	2.1
131.08548	9.5
133.10133	15.0
135.11656	14.5
137.13266	8.3
139.11147	2.1
145.10115	5.9
147.06511	2.4
147.11687	20.3
149.13272	13.9
151.11127	2.2
151.14841	3.0
159.11722	4.8
161.13266	9.6
163.11195	3.2
163.14813	7.4
165.12761	4.9
167.14319	6.1
173.11911	2.2
173.13309	7.3
175.02707	2.1
175.36081	1.8
177.12769	2.2
179.14334	6.4
185.04945	3.8
187.06453	4.6
189.04427	2.8
191.14299	2.5
195.13835	5.0
197.04927	2.8
199.06468	5.3
203.05873	9.2
205.07538	4.1
205.34404	1.8
211.06467	2.6
215.05904	31.5
217.07516	9.8
223.16879	2.7
227.05684	2.4
229.07469	11.8
233.06967	28.3
233.22639	4.5
243.21066	7.1
245.07018	2.5
247.08575	12.0
253.18024	3.3
261.22147	9.8
279.23184	29.8
317.17770	2.4
335.18677	6.2
353.20062	8.2
353.27081	9.5
371.21399	16.8
371.27765	7.7
372.24454	2.3
389.17416	3.6
389.22119	50.6
390.22443	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62630	2.3
53.03949	3.8
55.01869	5.2
55.05515	41.9
56.96566	28.1
57.03442	21.1
57.07072	8.0
67.05505	87.8
69.03437	4.5
69.07069	70.5
69.76051	7.0
69.76481	9.3
70.06612	3.4
71.04996	4.3
71.08638	6.3
72.08157	4.1
75.37244	2.5
79.05494	36.0
81.07059	100.0
83.04982	7.8
83.08618	19.1
85.06552	6.8
91.05421	16.5
91.65396	2.5
93.07049	52.0
95.04983	3.1
95.08607	69.2
96.08926	4.1
97.06528	15.1
97.10178	15.1
98.47885	2.4
100.55035	3.2
105.07050	13.3
105.17352	2.7
107.08615	25.4
109.06509	3.8
109.10159	43.8
111.04436	3.0
111.08106	5.5
111.11704	2.8
119.08574	10.4
121.06511	3.0
121.10152	28.7
123.08096	3.7
123.11686	14.8
125.09637	4.9
131.08577	8.8
133.10162	6.2
135.08051	4.2
135.11653	14.7
137.09634	3.7
137.13275	10.3
137.34744	2.9
139.11191	10.6
145.10109	6.2
147.06465	4.5
147.11705	5.9
149.13246	9.9
151.14873	5.0
161.13239	4.2
163.14893	5.0
173.11797	12.0
173.13333	7.6
178.47124	2.6
185.04839	5.5
187.06390	3.8
187.14832	3.7
199.06441	3.2
203.05885	8.3
215.05922	20.8
217.07483	9.9
227.67009	2.6
229.07469	15.5
233.07014	18.9
243.21176	6.6
247.08574	14.8
261.22186	14.3
263.06686	3.0
265.85309	2.6
270.05838	2.6
279.23227	28.6
284.13278	2.5
317.17825	3.4
335.18942	6.7
353.20096	12.2
353.26898	12.4
371.21481	21.3
371.28043	46.2
389.22119	60.2
390.22638	3.7
394.22849	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62630	2.3
53.03949	3.8
55.01869	5.2
55.05515	41.9
56.96566	28.1
57.03442	21.1
57.07072	8.0
67.05505	87.8
69.03437	4.5
69.07069	70.5
69.76051	7.0
69.76481	9.3
70.06612	3.4
71.04996	4.3
71.08638	6.3
72.08157	4.1
75.37244	2.5
79.05494	36.0
81.07059	100.0
83.04982	7.8
83.08618	19.1
85.06552	6.8
91.05421	16.5
91.65396	2.5
93.07049	52.0
95.04983	3.1
95.08607	69.2
96.08926	4.1
97.06528	15.1
97.10178	15.1
98.47885	2.4
100.55035	3.2
105.07050	13.3
105.17352	2.7
107.08615	25.4
109.06509	3.8
109.10159	43.8
111.04436	3.0
111.08106	5.5
111.11704	2.8
119.08574	10.4
121.06511	3.0
121.10152	28.7
123.08096	3.7
123.11686	14.8
125.09637	4.9
131.08577	8.8
133.10162	6.2
135.08051	4.2
135.11653	14.7
137.09634	3.7
137.13275	10.3
137.34744	2.9
139.11191	10.6
145.10109	6.2
147.06465	4.5
147.11705	5.9
149.13246	9.9
151.14873	5.0
161.13239	4.2
163.14893	5.0
173.11797	12.0
173.13333	7.6
178.47124	2.6
185.04839	5.5
187.06390	3.8
187.14832	3.7
199.06441	3.2
203.05885	8.3
215.05922	20.8
217.07483	9.9
227.67009	2.6
229.07469	15.5
233.07014	18.9
243.21176	6.6
247.08574	14.8
261.22186	14.3
263.06686	3.0
265.85309	2.6
270.05838	2.6
279.23227	28.6
284.13278	2.5
317.17825	3.4
335.18942	6.7
353.20096	12.2
353.26898	12.4
371.21481	21.3
371.28043	46.2
389.22119	60.2
390.22638	3.7
394.22849	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.9
55.05516	33.4
57.07072	14.5
59.83882	5.2
62.05653	5.2
67.05506	77.8
69.07086	46.0
71.08630	38.1
79.05482	36.1
81.07055	100.0
83.04982	10.7
83.08607	26.3
88.32202	4.7
91.05456	11.5
93.07041	34.1
95.08611	81.5
97.06535	9.4
97.10162	23.0
99.08098	28.3
101.05974	6.2
105.07017	15.4
106.15983	5.2
107.08579	37.7
109.10166	38.9
119.08552	10.2
121.10135	18.5
123.11623	5.9
125.09613	19.1
131.08522	6.6
135.11700	27.3
137.13191	10.6
147.11679	20.8
149.13295	7.1
153.12712	11.9
161.13182	7.8
163.11229	10.4
163.14847	8.9
165.12782	7.0
173.11804	9.3
173.13280	10.4
187.14967	8.5
223.95796	5.8
243.21086	11.1
254.93567	5.6
255.13200	5.5
261.22061	34.9
279.23187	70.7
353.26944	39.7
371.27716	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	371.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.4
56.05037	3.5
59.04987	0.6
60.04527	1.3
60.05626	0.6
66.09125	0.6
67.05494	1.6
67.10119	0.5
69.03416	0.6
69.04533	0.7
70.02950	0.6
70.06590	19.2
71.57912	1.0
72.08153	7.1
73.04746	1.2
73.06556	0.8
74.06081	1.2
79.05502	1.1
80.05775	0.6
81.07027	0.8
82.06612	0.6
83.04979	0.8
83.06116	1.2
84.04496	6.7
84.08145	12.5
85.02899	0.9
85.08501	0.6
86.06047	0.6
86.09705	11.3
86.10216	0.4
87.04481	3.8
88.03986	1.2
89.06030	100.0
90.06355	1.0
90.47600	0.7
91.05830	7.6
93.07037	0.6
95.04956	1.2
95.06143	0.8
95.08594	1.0
98.09691	0.7
101.06004	1.1
101.07227	0.9
102.05549	1.6
103.05451	1.7
104.05334	0.8
104.10800	0.7
107.04955	5.7
107.07074	7.0
107.08603	0.7
110.07163	4.4
111.04456	0.7
111.05601	0.6
112.08729	0.7
113.07142	0.6
116.07079	0.9
120.08093	7.5
121.08462	0.7
123.04433	0.8
129.05516	0.9
129.10229	6.0
130.05035	0.9
130.08661	3.5
131.04965	0.8
131.07048	1.3
133.08595	42.3
135.07996	0.7
147.06528	1.4
147.07715	0.6
173.09319	0.7
177.11232	8.9
179.26543	0.7
184.07442	1.1
191.14357	1.8
201.12521	1.1
209.15396	1.9
265.16077	0.6
268.97958	1.5
285.01144	2.1
303.02161	1.2
335.17068	1.1
353.18286	1.5
355.06979	1.1
371.16757	2.8
371.22461	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	371.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	11.3
55.05502	35.5
56.96532	8.9
57.07071	7.7
67.05505	100.0
68.05813	9.9
69.03420	9.3
69.07064	26.0
69.50952	63.7
69.75861	7.9
70.06582	23.9
71.04989	32.4
72.08155	9.4
72.11564	7.3
79.05489	48.1
81.03457	9.1
81.07056	77.9
81.59951	10.4
83.04964	9.1
83.08615	11.8
84.08138	22.2
85.06549	27.4
86.09709	31.0
87.00842	20.8
91.05434	30.0
91.05865	24.6
93.07042	63.6
95.04951	10.5
95.08600	85.7
97.02923	10.3
97.10144	12.8
98.20776	20.5
98.67291	8.5
101.06046	12.8
105.07024	35.1
107.04959	73.6
107.08598	38.1
109.10138	36.5
110.10525	12.5
114.09142	12.7
117.07053	13.5
119.08584	23.5
121.06477	17.9
121.10107	68.8
123.04436	8.2
125.09685	10.7
129.05492	12.7
129.06982	10.8
131.04988	8.4
131.08565	14.0
133.10153	24.1
135.11688	19.0
145.06497	17.7
145.10040	11.1
147.06497	11.2
147.11671	15.2
159.08118	9.8
183.11604	9.1
203.17964	27.3
211.10936	11.1
213.16493	12.7
220.21956	8.9
221.18903	9.8
234.06671	10.2
239.20059	30.9
268.97769	11.4
285.01025	14.6
318.13776	10.2
353.20963	11.7
371.14267	56.0
371.21271	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.1
55.01861	4.2
55.05507	32.5
57.03428	5.9
57.07047	4.7
59.72411	4.7
67.05501	84.9
68.05811	6.0
68.29807	3.8
69.07059	17.9
69.55205	9.5
69.55628	25.1
70.06583	19.6
71.04993	38.7
72.08140	9.6
75.01147	4.1
79.05486	54.6
81.03409	7.8
81.07056	100.0
83.04978	9.8
83.08607	13.3
84.08148	10.5
85.06534	19.2
86.09684	7.4
86.60188	3.9
87.00806	13.0
91.05470	29.4
91.05875	11.6
91.10219	4.7
93.07032	55.4
95.04952	12.9
95.08047	7.3
95.08604	82.6
97.02900	4.1
97.06543	12.7
97.10153	5.1
98.21474	9.2
101.06063	5.2
105.07033	23.2
107.04960	23.5
107.08600	38.8
109.06502	5.8
109.10163	35.2
110.78775	4.3
111.08052	8.1
115.05501	4.3
117.07001	8.5
119.08559	16.6
120.08109	4.7
121.06499	7.6
121.10145	88.3
123.08062	4.7
123.11726	10.5
125.09628	8.0
129.07011	6.5
129.10274	4.9
131.08562	12.5
132.10162	5.9
133.10118	25.3
135.08086	8.8
135.11688	34.9
145.10170	7.5
147.06549	7.1
147.11687	17.1
149.09615	4.9
149.13226	5.9
159.11703	8.7
161.13281	7.5
165.12759	6.6
187.96208	3.9
203.17915	35.4
213.16460	7.2
221.18982	15.3
230.14655	5.6
231.17421	9.4
239.20079	41.6
247.16914	5.2
248.16518	5.8
249.18494	13.5
261.14902	5.1
268.97968	8.4
285.00925	7.0
308.10938	4.2
353.21219	5.9
371.14780	28.9
371.22043	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2064
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03931	4.1
55.01867	2.2
55.05498	3.0
57.03420	5.1
57.55446	1.7
57.88581	1.5
60.05641	3.2
61.02919	3.2
67.05495	4.6
69.03426	17.7
69.07059	3.3
69.71516	11.2
70.06561	1.9
71.04978	2.5
72.08152	2.1
75.02834	1.8
79.05478	4.5
81.03419	8.6
81.07040	4.7
83.05012	2.8
83.08631	2.1
85.02895	34.9
89.06007	6.9
91.03966	1.7
91.05457	4.3
93.07050	4.3
95.04988	4.5
95.08604	4.4
97.02888	11.3
97.64442	1.9
98.21469	3.4
105.07025	3.8
107.04948	9.3
107.08609	9.3
109.02904	2.5
109.06519	7.1
109.10165	2.7
119.08573	2.6
121.10169	8.9
123.08056	7.1
123.11720	3.5
127.03905	6.4
131.08450	2.4
135.08087	2.5
137.05984	5.3
137.09616	8.8
144.17308	2.0
145.04958	8.5
147.11606	2.7
148.05275	1.9
149.09618	7.9
149.13240	5.2
149.75531	1.8
151.11180	30.5
159.13406	1.8
162.05467	2.2
165.12752	47.9
167.07063	3.3
172.57130	1.9
191.14310	7.8
209.15364	100.0
210.15729	4.2
213.05525	2.3
267.17035	5.5
309.19373	4.4
340.97849	1.7
353.17917	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81958	0.5
54.35389	0.5
55.05507	0.6
60.25521	0.5
68.05040	0.8
70.06588	100.0
70.54568	1.9
71.04980	2.0
71.06898	0.5
71.57230	0.4
72.08145	3.2
80.33946	0.5
81.07047	2.8
84.08136	0.6
85.02910	1.0
88.03973	2.9
88.81828	0.5
91.05806	1.3
93.13077	0.5
97.02859	0.6
97.07670	0.9
98.03532	17.9
100.87450	0.5
107.04944	2.8
108.08166	1.0
108.44930	0.6
110.09684	1.5
112.05082	1.4
116.07087	23.2
117.49072	0.5
121.06590	0.7
123.04456	1.4
123.05654	0.6
123.09211	0.6
130.06134	0.6
135.04564	0.6
136.05096	0.7
136.08658	0.7
140.04539	6.8
147.79544	0.5
149.05960	0.6
150.06654	2.2
152.08162	5.5
152.14331	11.3
158.05603	18.7
164.08200	5.5
166.05005	0.6
168.07668	1.2
178.09743	10.8
179.03368	2.3
192.11308	2.4
194.09309	0.7
196.07187	3.0
196.10834	1.7
210.08725	13.8
212.10313	4.9
228.09781	3.1
238.08223	1.0
238.11859	19.1
240.13617	0.7
256.09335	1.8
256.12924	8.3
273.11908	12.8
285.00690	0.8
308.16040	3.4
309.19226	8.9
326.17044	1.4
353.18161	53.5
354.18390	1.6
371.19226	36.5
371.23743	1.4
372.19443	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51101	1.3
55.01877	1.1
55.05496	1.3
56.00406	1.1
56.96549	2.0
57.03414	1.3
68.05012	2.0
70.06586	100.0
70.85999	2.6
71.04988	2.3
71.06950	1.0
72.08144	3.0
73.04736	1.4
79.05499	1.6
81.07040	3.3
84.08128	2.0
85.02907	1.5
85.07626	1.1
88.03993	2.6
88.20962	1.0
89.06017	2.0
91.05309	1.3
91.05796	16.1
95.04954	1.4
98.03537	17.6
100.27781	1.2
105.03374	1.4
107.04955	7.7
112.05118	1.3
116.07072	22.1
119.04912	1.4
123.04420	6.2
133.02850	2.9
134.03581	1.3
136.05067	2.0
136.06174	2.6
137.05977	1.9
140.04556	9.2
147.04341	2.0
147.06487	2.8
150.06598	2.1
151.03894	1.4
152.08218	4.1
152.14320	9.4
158.05597	19.7
163.02744	2.3
164.08157	7.6
178.09801	7.3
179.03392	9.4
182.09236	1.5
192.11295	2.6
194.13771	1.2
196.07137	2.8
196.10820	3.2
205.03891	1.8
209.04831	1.4
210.08740	17.1
210.12410	1.2
212.10309	5.1
213.09790	1.2
219.95393	1.4
228.09755	3.6
238.11839	17.0
256.09201	2.2
256.12878	10.1
268.97766	3.6
273.11877	13.1
275.96539	1.2
285.01041	3.1
292.23706	1.2
297.72473	1.3
303.01794	1.8
308.16080	3.3
309.19156	8.7
326.17010	2.0
353.18112	37.7
355.06876	3.1
371.00739	1.3
371.19217	48.0
372.19693	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	371.16
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84731	0.3
51.12662	0.4
53.92714	0.4
56.05033	0.9
56.92611	0.3
65.03934	4.1
67.05498	0.6
70.06579	0.5
71.20707	0.7
72.08129	0.5
73.02877	0.4
76.96576	0.5
79.05482	2.5
81.03421	0.9
81.07061	0.9
81.80592	0.4
84.04497	18.2
85.02883	1.1
89.06018	0.5
91.05470	0.5
93.07024	0.4
95.04938	1.0
97.02869	0.5
103.05466	0.8
105.07020	88.0
106.06548	55.7
106.07314	1.8
107.04942	2.8
111.04453	3.5
118.06493	0.5
120.08127	0.6
121.02858	100.0
122.03160	2.2
122.09657	36.9
123.09984	0.6
130.04982	2.9
137.06001	0.4
163.77501	0.4
167.06995	0.6
187.12303	5.1
188.10690	21.9
189.11079	0.6
205.13342	18.1
206.13779	0.7
230.87263	0.4
233.12831	18.8
234.11234	18.5
235.11618	1.1
248.16478	0.5
251.13892	35.0
252.14236	1.2
325.15298	0.5
353.14880	2.8
354.20850	0.6
371.15997	2.7
371.20496	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.0
57.03421	3.6
57.43916	1.9
61.02916	3.9
69.03427	11.9
70.06590	9.2
70.25657	3.4
70.26020	6.2
71.01356	2.4
74.02428	14.1
81.03426	4.6
82.02921	2.2
84.08118	1.6
85.02895	35.1
88.04018	2.1
91.05795	5.9
92.04986	2.5
94.06561	80.8
95.72744	1.6
97.02872	9.8
99.00807	9.2
99.04462	2.4
103.03883	1.8
104.04980	5.5
107.04940	22.1
108.05268	2.1
109.02870	4.6
111.04465	2.1
115.03956	1.7
116.07111	2.4
117.05724	2.4
118.06528	31.1
120.04457	37.6
123.04443	2.2
123.05553	3.4
126.12805	2.5
127.03913	6.1
130.06512	4.4
132.04460	7.1
132.08073	6.1
134.05933	2.5
136.06183	5.0
136.07561	44.2
141.07858	1.9
145.04958	2.1
146.05991	63.2
146.08040	3.6
150.05486	18.9
152.08160	3.2
158.05894	2.3
160.07544	6.5
162.05528	2.2
163.02620	2.1
163.08661	7.2
164.07063	5.2
170.06017	7.2
172.07550	2.5
174.05510	24.2
179.03386	4.9
183.07018	2.0
184.07687	3.8
186.05544	1.9
186.09067	2.0
188.07091	5.5
190.04988	5.7
191.05544	2.2
192.06537	100.0
196.07542	4.4
198.05602	2.2
202.08731	1.9
209.09195	72.3
213.87108	1.7
214.08598	2.6
216.06654	2.7
218.06578	4.2
233.09253	2.7
234.07584	7.0
236.07246	2.9
244.09648	2.5
247.04910	2.1
251.10339	3.1
262.10651	3.9
270.07477	12.6
280.11792	3.6
285.00912	2.5
298.12894	3.9
300.08542	5.1
303.01843	2.0
318.09659	13.0
335.12433	2.5
336.10706	5.9
353.13449	2.9
353.17957	4.1
371.00232	3.0
371.10245	2.3
371.19162	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.5
56.05031	3.4
57.03427	1.8
58.06575	0.9
58.99579	6.9
60.04524	1.3
60.05641	2.9
67.05504	8.1
68.05846	2.7
69.03413	1.5
69.07053	1.9
70.06592	19.8
70.07644	2.0
70.08051	2.7
72.08154	13.2
73.04775	1.1
76.02228	14.2
76.83788	0.8
79.05487	2.4
80.05000	1.5
81.07048	2.4
83.06100	1.3
84.04504	28.6
84.08129	9.1
85.02889	1.5
86.09707	13.0
86.99051	8.5
90.18982	0.7
91.05868	6.7
93.07040	1.0
94.06620	0.9
95.04984	2.2
95.08591	1.3
97.07822	0.8
98.20773	1.2
101.06011	1.3
102.05544	2.6
104.10728	0.9
105.07020	1.6
107.04952	100.0
107.08636	1.1
108.05270	1.9
109.10128	3.9
110.07177	3.5
110.10493	3.7
111.04394	1.3
116.07095	1.2
119.01639	16.6
120.08090	2.9
121.06545	1.6
121.10120	1.3
129.10190	4.3
130.05003	8.0
131.04933	1.3
133.06493	2.1
136.04274	73.4
137.04700	1.1
142.03207	5.1
146.06010	4.2
147.06483	1.1
156.07678	1.0
157.06676	0.9
170.02722	1.7
173.11763	1.9
174.12149	1.8
181.14043	0.9
184.07346	1.8
202.05229	4.4
203.11827	0.8
205.06404	2.0
209.15402	1.4
229.14258	2.2
230.14682	12.6
242.08325	2.1
248.05910	5.7
265.08517	30.6
268.97830	1.5
285.00977	1.9
286.01288	0.9
327.20288	2.0
336.21585	0.8
371.12225	1.4
371.16476	4.8
371.23038	1.0
386.22214	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16840	0.5
55.05510	0.6
56.96557	0.7
57.61569	0.6
63.08237	0.6
64.80639	0.6
69.03400	0.8
70.06572	1.5
72.08142	1.0
80.15282	0.6
81.07024	1.0
85.02891	0.6
86.09693	2.1
89.06014	1.4
98.21517	1.0
98.97587	0.6
101.00819	0.9
107.04951	2.4
119.01889	2.0
121.02845	1.1
131.01906	1.6
142.77296	0.5
145.03413	0.7
149.09584	0.6
161.02934	1.7
173.02946	0.9
175.04443	0.6
217.04897	0.7
221.05128	1.5
225.09644	0.6
227.05281	0.7
242.05754	0.8
271.04303	1.5
285.12762	2.3
303.12878	2.3
309.13092	0.7
325.14322	1.1
327.14133	22.8
328.14899	0.6
353.14063	2.6
354.56711	0.5
371.13098	100.0
372.13263	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	371.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.7
53.03945	1.2
55.05508	6.7
55.94993	0.7
56.96564	2.2
57.03426	0.7
57.07074	27.3
58.07410	7.8
61.02919	1.4
67.05506	8.6
68.05842	1.2
69.03416	1.0
69.07066	100.0
70.04081	1.7
70.07401	31.0
70.07836	6.3
70.76122	2.3
71.08190	1.7
73.02910	0.8
75.00032	1.7
76.99738	3.5
79.05492	2.8
81.03410	1.5
81.07056	5.8
81.14121	0.8
83.04983	1.2
83.08612	2.2
85.02912	1.7
89.06060	1.2
91.03970	1.1
91.05476	3.3
93.07043	3.2
94.04174	0.7
95.04964	2.1
95.08599	2.2
97.02888	1.6
97.10153	1.7
99.00027	1.5
100.99712	2.1
102.00037	0.8
105.07041	1.1
107.04939	2.3
107.08601	2.0
109.06537	1.0
109.10160	3.9
111.04412	1.2
113.01569	1.5
115.01284	1.7
115.07565	10.7
116.07893	4.4
119.08579	2.1
121.06480	4.4
121.10171	1.4
125.09657	1.5
126.99479	3.4
127.99839	1.6
128.99159	4.8
129.01030	6.6
129.99524	1.9
130.01399	2.2
131.00729	8.8
132.01076	2.7
133.10109	1.4
135.08025	1.0
137.05972	1.0
139.06357	0.8
141.01021	6.8
142.01389	3.0
143.00728	10.4
144.01042	4.9
146.03015	1.4
147.11758	0.9
155.02573	2.6
156.02950	1.4
157.02313	4.7
157.04041	1.7
158.02745	3.4
159.03740	2.3
161.13313	0.7
171.11673	1.3
173.11650	1.3
179.08569	0.7
185.03061	1.1
186.02466	1.2
191.02707	1.8
197.07271	13.1
198.07613	19.5
199.06975	23.2
200.07320	16.6
207.13806	0.8
228.06818	1.0
229.14313	0.8
231.10759	1.5
242.10144	2.2
243.09438	2.4
244.09846	2.6
255.14816	0.9
256.02069	0.9
262.63623	0.7
289.51627	0.8
299.08063	0.8
310.23267	0.8
322.20111	0.9
351.20108	1.4
371.09271	65.3
371.24301	2.2
372.08701	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	370.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.01870	10.2
55.05507	58.4
56.05029	18.5
56.96561	2.6
57.03432	3.4
57.07058	4.0
58.06593	11.0
59.04980	3.2
60.04527	4.8
62.06091	6.6
62.59250	2.6
67.05505	33.6
68.05020	5.0
69.03425	12.7
69.07065	61.2
70.02952	3.1
70.04065	9.8
70.06593	27.0
71.04987	4.7
72.04512	43.9
72.08161	5.9
74.06076	29.9
79.05486	37.3
80.05024	12.3
81.03410	13.3
81.07050	51.1
82.06583	9.7
83.04977	8.5
83.08605	34.3
84.04505	9.1
84.08173	6.0
85.02895	4.9
85.05282	4.8
85.06548	3.0
86.06059	25.8
86.06433	2.3
86.09699	7.5
88.07623	27.6
91.05474	28.4
93.07031	30.6
94.06563	13.9
95.04966	11.5
95.06129	3.3
95.08602	27.5
96.04543	2.8
96.08147	5.4
97.06556	10.2
97.10159	45.1
98.06068	10.1
98.09737	2.6
98.21527	6.0
100.07635	8.8
102.05537	4.2
102.09188	4.5
105.07015	29.2
107.04949	26.1
107.08569	30.0
108.08122	10.0
109.06514	6.6
109.10153	12.0
110.06119	3.3
110.09686	4.3
111.08095	8.3
112.07619	7.4
114.05519	8.5
114.09152	46.6
116.07076	14.0
117.07059	8.3
119.08562	19.1
120.08145	5.5
121.02870	7.5
121.06498	4.3
121.10178	9.9
122.03244	4.2
123.08081	6.1
123.11761	3.5
124.07624	3.2
125.09626	33.9
126.09171	7.5
128.07083	3.3
129.07011	4.9
131.08603	9.7
132.10205	77.7
132.11162	5.2
133.10117	19.4
133.41870	2.6
135.08057	6.1
135.11691	4.7
136.07556	5.4
136.11256	2.7
141.09071	2.6
142.12300	9.2
143.08502	3.3
145.10153	8.3
147.11682	10.2
148.07620	4.3
149.09621	7.8
154.12289	7.6
156.13846	5.2
158.96220	2.6
158.97552	4.9
159.11716	3.4
161.13231	7.3
163.11189	3.7
166.12296	10.9
171.11612	3.4
172.13365	9.4
175.11281	3.4
176.14362	3.3
179.14426	3.7
182.15443	5.0
183.11870	2.5
184.13327	50.4
189.11240	26.5
193.12245	16.8
194.15341	2.6
194.93459	20.8
196.13364	5.8
198.14952	2.7
204.06566	2.9
204.13719	2.8
211.13287	49.4
211.15230	3.7
215.12906	3.4
222.15019	6.8
224.16380	4.9
227.14871	3.7
231.54672	3.2
240.16029	9.4
248.16528	3.2
254.17607	8.5
256.19128	2.8
258.17117	17.9
260.16461	2.9
263.96829	11.5
266.17468	28.0
270.17010	17.6
272.18530	42.1
273.18689	4.7
275.20065	31.2
284.18616	5.0
291.19684	7.8
292.22696	48.5
296.18726	7.4
310.23907	10.9
334.23785	8.6
352.24777	48.7
370.14536	4.7
370.19144	6.1
370.25992	100.0
388.88062	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	370.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57291	0.8
52.54947	0.7
52.66617	0.7
53.03931	1.0
55.01860	1.2
56.05040	0.6
57.03445	0.8
60.04522	1.0
61.02899	1.3
68.05021	1.7
69.03423	6.1
69.07056	0.9
69.50756	6.5
70.06590	31.1
71.06933	0.8
72.08141	2.3
73.02882	1.2
79.05478	1.4
80.05011	1.4
81.03414	1.6
81.04535	1.5
83.06120	1.0
84.04499	1.7
84.08126	1.9
85.02911	4.7
86.06081	1.8
86.09678	1.2
87.04462	19.1
95.04959	2.7
95.06081	3.1
97.02865	2.1
97.06492	0.9
98.03577	1.4
98.06052	88.7
98.09706	1.0
98.97575	1.0
99.06395	1.6
102.05506	0.8
103.03926	2.6
107.04952	88.3
108.05263	3.0
109.02856	0.9
110.07162	3.1
116.07088	36.5
119.05022	0.9
119.08590	1.2
120.20228	0.9
122.09686	1.5
123.04437	1.8
124.08707	1.4
125.07146	1.9
126.05511	15.3
127.03903	1.4
127.87504	0.8
130.04973	0.8
131.03407	4.5
131.04866	0.8
133.02744	0.9
133.06459	1.6
136.07568	2.4
148.05003	1.4
158.05611	2.7
160.06061	1.5
168.06351	0.7
176.04543	24.0
178.07135	1.3
179.03371	2.5
179.08276	1.0
180.66193	0.7
200.09227	1.3
208.07158	30.1
208.09470	1.4
208.14551	0.9
213.03717	0.7
222.94884	0.7
228.06496	1.6
228.08649	20.3
238.11885	2.0
246.09839	1.5
256.12885	2.3
264.10779	100.0
265.11145	2.3
352.22079	1.2
353.18222	1.7
370.15164	1.5
370.19214	2.3
370.23511	6.1
371.19370	3.8
392.91168	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52511	1.8
53.03937	3.3
53.35253	1.7
54.54062	1.6
55.01865	8.6
55.05517	35.8
57.03443	12.7
57.07079	4.4
65.03938	4.1
67.05505	100.0
68.05817	2.1
69.03431	3.6
69.07069	18.4
69.88229	11.1
71.04992	1.9
71.08626	3.9
79.05067	2.7
79.05494	44.6
81.03368	2.2
81.07059	62.0
83.04980	6.2
83.08620	17.2
85.06516	4.3
91.05474	24.5
93.07044	43.5
95.04965	9.3
95.08608	33.5
97.06537	10.6
97.10172	25.3
99.08070	4.2
105.07033	24.6
107.04945	2.2
107.08599	53.8
109.06511	5.5
109.10153	57.9
111.08063	5.0
117.07021	7.5
119.08586	14.8
121.10129	20.0
123.08088	2.6
123.11708	7.5
125.09635	22.8
129.07030	2.7
131.08595	10.9
133.10120	16.7
135.08076	3.9
135.11691	23.8
137.09631	3.3
143.08536	2.3
145.10117	7.3
147.11679	9.6
149.09631	2.6
149.13298	10.6
151.11159	5.6
153.12772	2.0
157.10054	1.8
159.11684	6.7
161.13226	5.8
163.11197	2.6
163.14854	5.4
165.12788	2.0
169.12305	2.0
171.10091	1.9
171.11594	3.7
173.11758	4.6
173.13177	3.8
175.14821	5.4
177.12720	1.7
179.14386	3.3
181.12163	2.6
185.13264	4.5
187.14862	2.9
189.11237	17.2
189.12759	3.3
193.15833	3.9
195.13783	2.1
201.87872	2.1
210.97560	1.8
227.12753	8.8
236.35776	1.8
241.19510	5.5
245.13826	6.6
259.20575	18.5
277.21613	44.9
277.24359	3.3
335.78384	1.9
341.00851	1.7
351.25333	23.0
352.25833	2.1
369.26508	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	369.2632
Annotation	Carboprost
Peak:m/z	Relative Intensity
50.41204	3.5
50.41438	3.3
53.03933	7.0
55.01863	6.6
55.05504	42.5
56.96567	3.6
57.03430	32.3
57.07059	11.4
59.04985	4.8
64.33041	3.6
65.03944	6.9
67.05497	100.0
69.03407	7.1
69.07059	35.7
71.04980	8.0
71.08654	3.6
71.59172	4.5
71.59560	4.2
79.05487	84.3
81.03402	4.1
81.07051	91.5
83.04958	9.2
83.08619	21.8
85.06538	8.0
91.05473	61.4
93.07035	93.3
95.04959	11.0
95.08598	82.2
97.06512	16.0
97.10149	22.0
99.08071	7.1
105.07023	56.7
105.64490	3.6
107.04914	6.1
107.08584	73.3
109.06509	7.8
109.10144	72.1
111.08042	5.2
115.05431	3.7
117.07051	21.5
119.08582	42.8
121.06479	7.0
121.10127	50.1
123.08035	17.4
123.11691	12.4
125.09643	17.9
128.06163	3.4
129.06996	13.4
130.07758	3.9
131.07022	5.5
131.08524	33.3
133.10092	36.3
135.08015	7.3
135.11691	40.5
137.09584	7.9
139.11174	5.2
143.08537	16.2
143.25339	3.5
145.10117	31.4
147.07974	4.2
147.11668	29.0
149.09604	6.0
149.13243	20.4
151.11142	5.5
153.09071	3.7
155.08586	3.9
156.09325	6.3
157.10052	16.6
159.11678	26.1
161.09586	4.1
161.13251	13.0
163.11191	7.3
163.14819	5.3
165.12711	8.5
169.10063	7.3
171.11681	20.2
173.11729	4.2
173.13246	9.9
175.11194	4.9
175.14824	13.0
177.12830	4.5
179.14236	6.0
183.11713	6.7
185.13255	14.2
187.14766	26.2
189.11192	11.1
189.12706	5.1
191.14331	4.4
197.13164	4.2
199.14810	9.7
205.15845	12.2
207.13803	5.5
213.16432	6.3
221.19014	4.3
221.34523	3.4
227.12749	8.2
241.19479	18.6
245.13657	3.7
259.20569	41.2
277.21591	80.1
329.14355	7.3
351.25333	46.6
369.23447	5.3
369.27484	16.3
370.19931	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	369.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.1
55.01863	5.1
55.05260	3.3
55.05504	34.2
56.96559	3.0
57.03428	10.3
57.07071	9.7
67.05499	100.0
69.03422	6.6
69.07062	21.7
71.04980	4.6
71.08630	12.4
71.59155	4.3
72.16906	2.0
75.37814	2.3
79.05485	49.9
79.86393	2.5
81.03403	4.5
81.07050	69.9
82.06513	2.8
83.04969	9.6
83.08625	16.3
85.06548	4.0
91.05480	26.4
93.07040	60.2
95.04968	9.0
95.08604	43.0
97.06540	6.8
97.10158	21.0
99.08088	9.3
101.30020	2.7
105.07006	30.7
107.04945	6.8
107.08588	57.1
107.09296	4.8
108.08905	2.8
109.06490	6.1
109.10146	61.9
111.08064	4.1
117.07006	10.1
119.08573	21.8
121.06534	3.8
121.10136	25.7
123.08013	3.9
123.11734	6.8
125.09584	20.2
129.07008	3.4
131.08582	9.4
133.10132	19.4
135.08038	6.5
135.11681	25.9
137.09590	3.9
143.08536	4.6
143.10732	2.6
145.10130	8.9
147.11646	17.3
149.13251	12.8
151.11182	8.2
157.10115	4.4
159.11699	11.0
161.13242	9.9
163.11264	2.9
170.45476	2.4
171.11725	5.8
173.11763	5.6
173.13202	4.5
175.14819	7.2
177.12801	3.4
179.14320	28.5
185.13251	5.1
189.11229	16.0
189.12741	4.5
191.14374	2.5
199.14824	3.6
207.13817	5.5
227.12668	12.7
231.03362	2.9
231.07536	3.1
241.19464	5.0
245.13858	9.5
259.20535	19.7
277.21609	59.2
294.19241	2.4
298.82162	2.3
351.18567	2.7
351.25290	35.0
369.14136	3.4
369.26529	5.7
370.31046	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	369.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	7.0
55.01872	15.2
55.05510	71.7
55.05781	3.5
56.96550	9.5
57.03440	23.5
57.07060	8.1
59.04995	1.8
65.03932	2.3
67.05503	93.5
68.47659	2.1
69.03393	3.2
69.06724	3.2
69.07069	40.2
69.29131	15.1
69.29556	8.3
69.65212	2.1
70.06612	3.3
70.97216	1.9
71.04988	6.8
71.08632	38.7
75.53030	2.0
79.05492	58.8
79.60606	2.1
80.05806	2.5
81.03434	12.4
81.07056	100.0
83.04979	12.0
83.08611	38.9
84.08099	3.4
85.06528	7.3
85.10175	6.5
86.09685	7.6
89.59677	2.2
91.04897	2.9
91.05473	47.1
93.06480	3.2
93.07042	51.8
95.04969	22.3
95.08604	51.1
97.06540	18.8
97.10167	11.5
99.08090	32.7
104.10696	3.1
105.07027	35.4
107.04939	9.0
107.08583	35.3
107.57858	2.3
109.06532	10.9
109.10162	31.3
111.08064	12.5
111.11700	2.5
113.09634	11.5
115.05373	2.7
117.07011	5.9
119.08572	33.3
121.10130	26.6
123.08038	6.1
123.11700	13.6
125.00019	4.6
125.09654	12.4
128.06157	3.2
129.06966	7.4
131.08542	7.6
133.10135	19.3
135.08038	5.0
135.11682	16.3
137.09601	6.7
139.11195	10.4
143.08577	3.6
145.06526	2.0
145.08992	2.0
145.10094	10.0
147.11691	32.2
147.88921	2.0
149.09576	5.9
149.13255	18.9
151.11179	24.1
151.14833	2.7
153.12753	3.5
157.06503	2.4
157.10168	4.1
159.11697	6.5
161.09586	3.0
161.13239	9.4
163.11160	10.6
165.12753	27.3
171.11673	6.7
173.11726	9.0
173.13196	5.0
175.11208	5.8
175.14807	4.1
177.12813	2.7
179.14301	7.5
181.12195	4.2
184.07326	19.3
185.13254	3.6
189.11205	5.8
193.12201	4.2
193.15768	2.8
199.14836	2.4
207.13733	2.7
221.15320	3.5
227.12796	2.5
229.14343	6.8
231.21046	5.0
241.19496	5.2
249.09239	2.5
249.22089	5.7
259.20551	8.2
277.21628	64.3
288.98572	2.1
295.22745	8.0
351.21405	2.5
351.25244	13.7
369.18820	11.6
369.22296	17.5
369.26373	27.0
370.17871	2.9
387.19519	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	369.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60447	3.3
53.03930	8.8
55.01862	11.4
55.02130	3.3
55.05262	5.0
55.05509	73.7
57.03441	36.7
57.07059	9.6
67.05173	5.7
67.05503	89.5
67.67114	3.6
69.03410	4.1
69.07067	48.3
69.38158	28.5
71.04975	7.3
71.08630	43.5
79.05487	41.9
79.99207	3.2
81.03408	9.2
81.06586	5.6
81.07052	100.0
82.92412	3.7
83.04962	12.2
83.08617	60.3
85.06535	7.0
88.84639	3.4
91.05476	48.1
93.07046	50.2
95.04945	14.1
95.08600	43.3
97.06559	17.2
97.10152	10.2
99.08089	36.8
105.07025	36.8
107.04933	6.8
107.08598	38.5
109.06507	11.5
109.10158	34.7
111.04320	3.7
111.08076	19.3
113.09677	5.0
117.07014	5.5
119.08585	36.9
121.10126	25.5
123.08037	6.5
123.11687	14.1
125.09609	9.7
129.07016	4.9
131.08521	8.5
133.10147	23.2
135.11682	15.2
137.09639	7.9
137.13319	3.6
139.11153	9.2
143.08557	4.9
145.10135	7.0
147.11668	40.3
149.13235	23.4
151.11174	21.8
155.47792	3.9
156.30627	3.7
159.11725	7.1
161.13268	13.1
163.11244	8.8
165.12831	21.8
167.14392	3.7
171.11673	4.2
173.11723	9.1
175.14828	6.9
177.12701	6.0
179.14294	11.7
195.13673	4.3
200.34149	3.5
249.22212	6.7
259.20526	11.2
269.17575	6.6
277.21631	64.7
278.21735	4.7
283.45059	4.2
295.22604	12.7
322.00858	4.0
351.25217	14.7
369.21973	5.4
369.26379	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.1
55.01859	8.6
55.05510	54.5
56.96555	14.4
57.03432	23.3
57.07074	17.7
61.02911	4.0
65.03932	2.9
65.65089	2.6
67.05500	100.0
69.03418	6.9
69.07070	64.7
70.06577	3.7
71.04981	11.1
71.08631	36.9
71.60764	4.8
79.05492	66.6
81.03413	17.3
81.06577	4.7
81.07052	92.4
83.04980	14.6
83.08620	31.4
84.06436	3.2
85.02899	9.0
85.06533	10.7
91.03942	7.2
91.05482	44.0
93.07039	65.8
95.04956	25.5
95.08611	51.4
97.02862	4.6
97.06532	16.1
97.10185	24.3
99.08092	35.8
100.45808	3.2
105.07032	37.3
107.04935	14.4
107.08596	46.6
109.06505	9.6
109.10155	37.7
111.08089	10.1
116.96480	3.0
116.98495	3.4
117.07002	11.0
118.98003	14.3
119.08593	31.0
121.06483	3.7
121.10135	23.0
123.08047	11.5
123.11703	5.0
125.09655	17.9
129.06973	10.3
130.98050	5.7
131.00053	4.0
131.08569	17.7
132.99561	29.1
133.10088	24.7
135.08037	8.8
135.11699	21.5
136.99022	7.9
137.09615	4.2
142.98003	30.2
143.08531	9.2
144.99556	21.5
145.10129	12.2
147.11696	20.9
148.98973	4.3
149.09627	5.9
149.13300	17.1
151.00615	12.9
151.11172	46.3
155.98766	9.8
156.99554	13.9
157.10138	6.9
159.01128	5.9
159.11694	10.1
160.99066	5.6
161.13249	19.6
163.00623	10.5
163.11198	14.9
163.14862	5.0
165.12756	7.5
168.99529	5.6
171.01158	9.6
171.11684	9.5
172.99043	9.5
173.11739	24.0
174.99181	3.8
175.00613	10.7
175.14850	4.1
176.98540	37.4
177.12711	4.8
179.00087	4.3
179.14333	10.5
183.01189	4.9
185.02666	7.2
185.13235	6.7
187.00613	17.9
189.11217	19.4
189.12694	4.6
191.00113	49.9
195.13823	6.7
197.13234	3.4
201.02219	10.4
203.00105	6.3
203.02020	4.6
205.01637	26.7
211.00537	5.7
213.02216	4.5
215.03821	5.3
217.01688	5.8
219.03131	4.5
221.15387	6.3
227.03757	4.1
227.12769	14.6
229.07477	8.4
229.14427	6.1
231.21138	4.4
237.07909	3.5
241.05316	5.3
241.19569	7.8
245.13858	11.0
247.08530	7.9
249.22198	3.9
253.05330	3.7
253.18010	7.8
255.06828	6.5
259.20578	14.7
269.10526	4.2
269.17426	14.8
272.07199	3.9
275.05823	7.8
277.21585	63.0
283.11969	5.0
287.11627	9.2
293.07208	3.4
347.15311	8.0
351.12711	13.6
351.25333	32.0
352.12787	3.5
365.16428	10.5
369.09387	4.1
369.13644	14.5
369.19809	3.6
369.24332	10.5
370.11768	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	369.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.01860	11.0
55.05511	68.7
56.96544	5.2
57.03437	29.3
57.07052	7.4
57.23215	2.2
59.10719	2.3
62.15248	2.1
67.05504	85.6
69.03432	4.8
69.07063	33.5
70.65500	3.7
70.65840	5.7
71.04977	7.7
71.08627	42.0
79.05494	40.5
81.03406	6.0
81.07056	100.0
82.07372	2.5
83.04971	8.2
83.08622	54.5
85.06522	7.6
85.10184	6.0
91.05486	37.2
93.06479	3.7
93.07047	44.4
95.04954	16.3
95.08605	41.7
97.06512	14.2
97.10165	8.4
99.08089	37.3
99.85346	2.5
105.07031	33.6
107.04958	4.4
107.08593	30.3
109.06509	6.9
109.10168	22.6
111.08098	21.2
113.09628	6.5
117.07027	8.7
119.08592	30.9
119.10239	2.3
119.35468	2.8
121.10143	23.5
123.08035	5.4
123.11683	12.6
125.09625	5.4
129.07018	5.5
131.08543	9.8
133.10123	23.5
135.07996	2.8
135.11662	12.0
137.06004	12.1
137.09596	5.2
139.11194	8.3
143.08562	4.1
145.10130	6.8
147.11705	38.0
149.09619	6.0
149.13274	16.9
151.11191	17.7
151.47775	2.7
157.10092	7.5
159.11697	6.6
161.13249	11.6
163.11168	7.6
165.12735	18.1
167.14256	4.1
171.11661	4.5
173.11775	6.1
175.11201	6.1
175.14827	4.5
179.14310	10.3
189.12674	4.5
193.12170	4.8
229.14363	5.7
241.19481	4.0
249.22272	4.9
258.72540	2.4
259.20493	9.6
275.19962	3.5
276.20474	4.4
277.21616	55.7
278.21832	2.9
295.19461	2.7
295.22543	11.1
351.25104	7.5
369.19998	2.6
369.26477	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	369.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.7
55.01878	15.3
55.05516	46.6
56.96558	6.9
57.03441	24.0
57.07067	8.2
65.03922	3.5
67.05508	100.0
69.03407	4.1
69.06790	2.6
69.07075	33.7
70.22540	9.7
71.04991	8.2
71.08628	21.6
72.45941	2.7
77.75702	2.9
79.05497	60.5
80.86594	2.9
81.03445	7.0
81.07061	94.5
83.04967	9.0
83.08620	22.0
85.06533	5.2
91.05480	35.5
93.07053	69.7
95.04974	15.4
95.08611	46.5
96.62343	2.8
97.06552	17.4
97.10168	8.9
97.70428	3.0
99.08102	21.5
105.07024	31.6
107.04954	5.8
107.08590	47.8
109.06516	7.6
109.10162	33.4
111.04440	6.1
111.08080	7.4
117.07024	11.6
119.08576	23.0
121.06548	5.5
121.10167	24.9
122.44571	3.3
123.08067	7.3
123.11742	7.3
125.06045	3.3
125.09633	10.8
127.11209	3.2
129.07028	6.8
130.99989	3.5
131.08577	11.1
133.10136	19.4
135.08002	4.6
135.11713	20.6
137.05977	41.0
137.09596	3.7
139.11177	3.7
145.10114	5.6
147.11720	14.9
149.01152	3.0
149.13306	21.6
151.11176	31.6
157.10152	4.6
159.11714	11.2
161.13277	12.4
161.22581	3.1
163.11197	6.4
165.12671	5.5
171.11752	6.8
173.11743	12.2
173.13181	5.1
175.11182	4.4
175.14786	6.6
177.12730	4.6
179.14293	4.0
181.12212	3.6
189.11212	4.1
190.39169	3.3
195.12009	3.2
195.13831	9.6
203.86453	2.9
209.20296	3.4
227.12813	8.0
229.14388	6.9
231.17542	3.7
241.19617	4.8
249.18571	5.3
253.18076	4.5
259.20615	10.2
269.17581	27.8
277.18030	20.2
277.21634	39.1
295.18958	7.9
351.18552	3.8
351.25323	22.2
369.26114	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	369.2422
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
52.95739	6.8
53.03924	7.0
55.05494	27.0
57.07062	28.4
67.05499	41.0
69.03427	6.7
69.07051	31.0
69.64566	14.5
69.64982	33.4
70.67023	5.2
76.43657	5.5
79.05489	31.9
80.08746	5.4
81.07052	52.4
83.08622	14.0
83.11954	6.2
85.06511	6.3
91.05480	48.0
93.07037	53.5
95.04948	28.6
95.08595	81.4
97.06510	12.3
105.07018	60.3
105.56070	5.9
107.08591	49.4
109.06494	21.8
109.10167	36.9
111.08092	38.8
117.07023	14.5
119.08568	100.0
121.06487	11.7
121.10133	45.4
123.08031	11.5
123.11674	13.5
128.06203	10.2
129.06979	17.0
130.07803	5.7
131.08554	44.8
133.10138	54.7
135.08044	24.3
135.11661	18.2
137.05959	68.2
141.06979	11.0
142.07751	16.7
143.08582	33.8
144.09282	12.2
145.10130	61.1
147.08025	22.6
147.11690	20.0
149.09595	26.0
155.08531	17.0
156.09319	12.9
157.10121	36.8
159.08070	19.9
159.11662	42.5
161.09602	9.1
161.13264	10.9
163.07481	10.5
167.08646	6.1
169.10143	14.8
170.10869	7.2
171.11630	31.3
173.09547	7.5
173.13225	25.8
175.11235	7.7
175.14847	30.0
177.09143	6.6
177.12657	8.1
181.10092	13.5
183.11667	25.5
185.09531	9.1
185.13200	22.4
187.11209	8.7
187.14806	25.7
189.12831	10.8
191.14398	9.3
193.10081	11.9
195.11719	18.2
196.12486	8.7
197.13206	18.0
199.14842	13.9
205.15814	13.0
209.13225	17.4
210.14012	8.3
211.11070	10.4
211.14850	9.7
215.14308	7.9
221.13326	7.8
223.14793	13.0
225.12775	7.1
225.16420	9.8
229.12254	11.9
233.15312	11.1
235.14801	9.7
255.13914	8.0
257.15488	13.2
265.19479	10.9
351.23108	23.3
369.24173	72.0
393.34036	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	369.227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67001	0.5
53.03935	1.2
55.01867	7.2
55.05511	6.1
57.03441	3.3
57.07072	1.4
67.05508	6.8
69.03423	0.9
69.07070	6.8
69.85683	3.4
70.06567	0.7
71.04993	0.9
71.08625	0.8
79.05498	7.7
81.07059	29.8
83.04970	2.9
83.08614	2.5
91.05488	4.0
93.07058	6.8
95.04942	1.5
95.08605	6.6
97.06542	1.7
97.10147	0.8
105.07032	4.6
106.16814	0.6
107.04929	0.7
107.08601	5.3
109.06510	11.5
109.10139	3.3
111.04442	16.7
111.08034	1.3
119.08573	5.4
121.10152	5.1
123.08056	2.5
123.11716	2.0
125.05980	6.7
131.08585	3.0
133.10147	5.1
135.08086	3.3
135.11682	4.6
137.05980	100.0
137.13239	2.1
138.06317	2.5
139.07536	0.8
143.08566	1.4
145.10136	2.0
146.07201	0.7
147.08047	1.7
147.11693	7.0
149.09630	4.5
149.13257	1.6
151.07539	2.2
151.11189	0.7
157.10153	2.0
159.11736	1.1
161.09625	5.8
161.13283	2.3
163.11206	3.2
163.14786	1.0
165.09119	2.1
167.10683	1.0
171.11682	1.4
175.11183	5.4
175.14801	1.4
177.12758	1.1
179.10718	2.0
181.12242	0.8
185.09612	0.6
189.12758	1.1
193.12158	1.4
197.07240	0.7
197.13306	0.7
203.17976	6.7
205.19464	0.7
213.16406	2.1
215.14323	0.6
221.19066	2.0
231.17451	12.6
232.17740	0.9
241.15942	1.7
249.18484	13.5
259.17026	0.8
277.17996	54.0
278.18311	2.3
295.15820	1.3
295.19043	13.2
295.22360	0.9
351.21661	5.2
369.22763	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75629	0.7
55.05498	3.5
56.96563	43.5
67.05494	1.7
68.65013	0.8
69.07065	1.0
71.95262	5.1
72.96033	2.1
79.05450	1.2
81.07057	1.7
83.08599	2.0
84.96032	1.0
86.16096	0.7
91.05497	1.3
93.07034	1.4
95.08601	1.1
98.21527	1.4
105.07007	1.0
107.08576	1.5
110.97542	3.3
115.00658	1.0
128.98578	4.6
133.10153	1.0
137.02707	1.7
141.02280	1.1
146.99660	5.2
147.03297	1.2
151.00659	0.9
155.03743	2.7
159.03340	1.0
169.05371	1.6
171.03294	2.0
173.04895	1.0
185.04832	1.9
187.06412	1.1
189.04198	1.5
195.06885	1.6
199.06413	4.9
203.05875	3.4
205.07404	1.9
207.06918	1.3
209.08446	1.1
211.06406	1.3
211.10071	0.7
213.08002	10.9
215.05794	1.1
217.07454	10.3
217.18024	0.8
221.08603	1.8
222.07732	1.2
223.06357	1.0
223.10075	1.4
225.07948	4.4
225.11600	1.3
227.09492	1.9
229.07379	1.4
231.06749	1.3
231.09030	21.3
236.09581	1.1
237.07965	1.0
239.09537	9.5
241.11081	10.6
243.09084	4.7
245.10602	3.1
251.09418	5.1
253.11142	1.1
255.09027	7.1
257.10623	16.5
259.12173	20.0
267.09134	0.9
269.10608	35.6
273.10120	7.1
275.11679	7.0
277.21432	1.0
282.13824	1.1
287.11649	23.6
292.12225	3.0
299.35156	0.8
309.17273	1.1
315.16238	1.7
333.17477	6.9
351.18375	18.5
369.19464	57.2
370.19666	1.4
374.19876	1.2
387.20526	100.0
388.20901	2.4
391.95953	0.9
392.31320	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76897	0.6
51.22242	0.6
52.13489	0.7
53.03953	1.2
55.01860	1.3
55.05511	9.8
55.36990	0.7
56.05843	0.9
56.96565	43.5
57.03446	1.8
57.07069	4.4
57.17202	0.6
58.06589	0.7
60.04522	1.4
67.05508	6.7
69.03427	0.8
69.06713	1.3
69.07064	16.8
70.06574	1.3
70.07394	1.3
70.07828	1.1
71.08620	1.4
71.60012	1.3
71.95260	5.3
72.08146	0.8
72.96031	2.2
74.97626	1.2
75.00024	1.1
79.05505	5.8
81.07056	5.1
83.04965	1.2
83.08607	4.6
84.96038	1.1
85.06565	1.2
86.09703	2.2
91.05467	4.1
91.97832	0.7
93.07062	4.8
93.39243	0.8
94.07434	0.8
95.04955	2.1
95.06080	0.9
95.08591	4.4
97.06520	1.1
97.10136	1.7
98.97627	0.8
105.07037	3.2
107.04955	2.3
107.08585	3.4
109.06519	1.3
109.10154	2.3
110.97568	1.8
112.07577	1.0
113.01525	1.4
113.43144	0.7
115.07552	1.9
117.07021	1.4
119.08527	3.8
121.06499	1.0
121.10102	2.2
123.01188	2.3
125.09619	1.6
126.10065	0.9
128.10692	1.4
128.98602	3.1
129.01035	2.1
129.06963	1.5
131.00781	0.9
131.08568	1.8
133.01695	1.1
133.10115	1.4
133.98880	0.7
137.02771	1.3
139.00615	0.9
141.01027	2.5
141.02211	2.0
142.01375	0.8
143.00763	1.4
143.08533	0.9
144.03232	1.0
145.10107	2.2
146.99626	4.5
147.08005	0.9
147.11650	1.0
149.01204	1.1
149.09558	0.8
155.00011	0.7
155.02618	1.0
155.03778	3.1
155.08734	0.8
157.01797	0.9
157.10146	1.3
158.97667	4.4
159.03357	1.8
159.11717	1.0
160.97327	4.9
161.01128	1.0
165.00682	1.4
165.02116	0.9
167.03766	0.8
167.10634	1.2
169.01656	1.3
169.05379	0.9
171.03322	1.8
171.11665	0.9
173.04900	1.9
173.11789	1.0
181.05319	0.9
183.06837	1.2
185.04810	1.9
187.02731	0.9
187.06351	1.1
189.00597	1.0
189.04369	2.7
189.07938	1.4
189.11198	1.1
191.05910	1.2
193.07492	0.8
195.06935	1.2
197.04738	1.0
197.07309	2.9
198.07657	2.5
199.06566	5.4
201.07964	0.9
203.05922	3.5
205.07455	1.0
207.09021	0.8
211.06425	2.0
213.07950	11.2
215.02319	0.9
215.05916	1.0
217.07443	10.0
219.09036	2.4
221.08646	1.1
225.07985	4.4
229.07487	12.9
231.06746	1.1
231.09035	21.3
236.09512	0.9
237.07916	1.4
239.05785	0.9
239.09491	5.5
241.07465	1.3
241.11137	8.0
243.09052	7.1
245.10498	1.0
247.08530	14.7
251.09537	6.4
253.11162	1.2
255.08994	4.5
257.10565	4.7
259.12164	14.4
261.10068	1.5
267.08984	1.1
269.10593	45.3
271.12180	1.1
273.10104	2.2
274.18933	0.9
285.10226	1.0
287.11639	29.2
291.21384	1.3
292.12003	3.5
309.22372	1.2
310.13193	2.0
315.16272	0.9
323.18753	1.0
333.17371	18.5
339.18326	0.7
351.18423	36.6
351.23169	3.9
369.09747	3.3
369.19476	100.0
369.24222	14.5
370.00580	1.2
370.08954	6.7
370.19705	3.8
374.19937	3.8
387.20538	69.3
388.20828	3.3
392.20959	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01758	1.9
53.03937	5.3
55.01860	3.5
55.05503	6.1
56.96550	2.2
57.03421	4.2
57.41637	1.9
59.04978	2.3
59.61779	2.1
61.02910	5.3
67.05487	7.2
67.95399	2.0
69.03423	20.3
69.07050	4.4
69.73035	14.3
70.04073	3.5
70.06585	11.7
71.01330	2.2
71.04967	4.3
72.08154	3.4
73.02899	3.1
79.05468	5.9
81.03408	9.5
81.07066	10.9
83.04967	16.6
83.06086	8.1
84.06425	2.6
84.08102	2.2
85.02898	37.5
86.09709	2.8
88.03980	3.3
91.05464	23.5
93.04521	5.6
93.07053	10.7
95.04967	13.8
95.06080	11.4
95.08598	6.6
96.06401	3.3
97.02879	12.3
97.06525	4.8
99.04490	3.4
105.07018	21.3
105.67379	2.0
107.04954	38.4
107.08580	11.1
109.02883	7.8
109.06489	10.1
109.10130	6.3
110.07163	34.7
111.07474	13.5
116.98616	1.8
117.03329	2.1
117.06976	3.4
119.04908	4.0
119.08562	16.4
120.08167	2.4
121.02927	2.2
121.06519	14.8
121.10162	9.8
123.04406	6.0
123.08043	8.4
123.11699	2.8
125.09637	2.2
127.03876	9.9
128.06148	2.2
129.06993	2.9
129.10277	1.8
131.08542	6.2
133.06448	4.2
133.10124	23.2
135.04427	2.1
135.08078	11.4
137.05949	2.9
137.09631	13.3
141.06638	7.6
141.60089	2.0
143.08543	6.8
145.04959	8.3
145.10104	12.4
146.07300	2.5
147.04308	2.4
147.08032	6.4
147.11636	11.3
148.93541	5.5
149.09613	36.5
149.13231	2.2
151.11169	100.0
156.09357	5.0
157.07193	8.6
159.08023	7.7
160.08789	3.3
161.09590	15.0
161.13240	8.8
163.11176	26.4
171.11700	6.1
173.09573	2.1
173.13263	4.0
174.07657	4.0
174.10420	19.1
175.11128	3.4
177.05286	2.6
177.12701	2.0
178.97870	3.6
179.10637	27.3
187.11159	4.8
189.12735	63.4
191.14281	57.8
194.08209	2.6
205.12225	11.1
207.06494	5.3
207.13786	78.8
208.14279	2.9
220.97177	2.5
234.98959	2.6
236.96660	7.9
260.18301	2.5
278.19446	4.3
282.97330	4.6
305.20502	3.4
315.07156	2.0
323.21597	17.1
369.22311	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.6
55.01846	4.3
55.05499	2.0
56.96564	2.1
57.03430	8.8
61.02926	9.3
61.49094	1.2
69.03087	1.8
69.03429	29.0
70.06590	15.6
71.04980	2.9
71.17531	3.0
72.08117	2.7
73.02896	4.8
74.06073	1.3
75.04462	4.0
79.05475	4.3
81.03417	12.2
84.04462	3.3
84.08132	4.8
85.02901	61.0
86.09689	4.3
87.04464	9.1
91.03940	2.3
91.05469	6.9
95.04947	2.3
97.02882	20.7
97.06557	1.8
98.06054	8.7
98.97588	3.4
99.04426	3.2
101.02444	2.0
103.03920	2.7
103.05451	4.3
104.05783	1.3
105.07024	28.3
107.04953	21.0
108.05295	2.8
109.02911	6.1
110.07191	2.4
115.03944	1.4
115.05460	2.1
116.07096	4.3
116.98591	2.5
117.07036	1.4
118.51649	1.2
119.04946	6.6
119.08487	1.3
120.08119	2.9
121.06475	2.5
123.04385	1.3
126.05507	1.5
127.03917	16.2
128.06190	1.7
129.07010	1.6
131.04935	3.7
131.07037	1.7
133.02843	1.6
133.06485	100.0
134.06810	3.2
135.04372	1.4
137.05972	1.6
143.08450	2.1
145.02867	1.7
145.04953	5.3
145.06456	4.7
145.08595	1.5
146.99567	1.5
147.04390	10.4
153.05501	1.2
159.08086	1.6
161.05954	4.6
163.03862	4.4
164.07037	2.1
171.08054	9.8
175.03911	4.4
177.00598	1.6
177.05373	1.5
179.03381	2.2
182.08070	2.9
207.06612	10.5
207.10146	1.9
217.09848	1.7
219.01808	2.3
234.99089	1.9
236.96545	1.3
237.02690	6.5
263.10196	1.6
264.10764	9.4
369.21320	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.5
55.01871	4.8
55.05521	1.4
56.05023	3.1
57.03444	10.7
59.04987	1.2
60.04512	2.9
61.02927	7.0
69.03435	21.6
70.06595	29.2
71.04988	2.4
71.58265	2.0
72.08158	6.1
73.02914	4.1
75.04485	2.4
79.05486	4.5
81.03419	8.1
82.06583	1.3
83.06094	1.6
84.04507	14.0
84.08133	11.4
85.02904	54.6
86.03196	1.3
86.09710	7.7
87.04469	4.4
88.04007	1.7
91.03938	2.4
91.05476	1.6
95.04958	2.4
97.02888	18.7
97.75166	1.2
98.06060	1.5
99.04462	4.6
103.03987	2.7
103.05477	4.3
105.07034	27.7
105.50822	1.0
107.04955	91.4
109.02857	7.3
110.07178	5.3
115.03915	1.9
115.05459	1.9
115.08678	1.7
116.07092	1.5
117.07041	1.5
120.08117	3.6
126.05430	1.3
126.90443	1.2
127.03917	12.2
127.08686	1.8
128.06226	2.0
129.10248	5.6
130.05009	6.0
131.04939	4.5
133.06490	100.0
134.06847	3.6
136.07605	3.8
143.08575	3.3
145.04970	5.5
145.06474	4.7
146.05977	1.4
147.07672	1.5
155.08197	1.8
163.66068	1.3
171.08046	11.9
176.04541	1.4
207.10225	2.5
208.07164	2.3
264.10526	1.4
273.96957	1.1
323.15793	1.7
352.13864	2.9
369.16669	5.5
369.22855	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99831	1.1
55.05505	3.5
56.05027	4.1
56.96296	1.5
56.96564	26.6
60.04518	3.3
61.91492	1.1
62.30740	1.2
66.19424	1.0
67.05521	1.3
68.05025	1.7
69.07057	2.6
70.05246	3.5
70.05647	1.4
70.06593	35.0
71.06905	1.6
72.08156	11.1
72.95975	1.0
74.06076	2.5
78.73299	1.2
79.05476	1.2
81.03381	1.3
81.07054	1.3
83.06131	1.0
83.08642	1.1
84.04508	7.5
84.08145	16.9
84.96030	9.4
85.02887	2.1
86.06033	1.1
86.09700	17.9
87.10038	1.6
88.03985	1.8
91.05477	10.9
93.04494	1.3
95.04958	1.2
97.96792	3.9
98.09646	1.1
98.97585	34.4
102.05531	2.2
102.97079	1.9
104.10739	2.6
107.04957	5.3
110.07168	11.5
110.97572	6.9
112.08720	2.4
115.97817	4.4
116.98620	34.1
119.04978	2.2
120.08126	9.0
124.99989	2.7
128.98605	18.4
129.10258	7.6
130.05023	1.8
131.00156	3.2
133.98882	3.4
134.99655	30.5
136.07576	2.9
140.00208	1.5
140.98628	1.7
143.00145	3.1
146.99655	25.8
149.01277	2.8
152.98624	3.4
153.00743	3.7
154.98186	1.0
158.01317	1.3
158.99680	8.0
161.01224	8.5
162.99121	2.8
165.00745	5.3
170.99681	6.9
172.07582	1.2
173.01228	2.3
175.03952	1.6
175.12090	1.2
176.02428	1.3
177.00719	15.6
178.16403	1.1
179.02255	3.1
183.03322	2.6
184.07320	7.3
185.09818	2.6
186.10516	1.2
189.00717	7.7
195.01781	4.3
201.00792	1.9
207.01643	1.8
207.03304	13.0
207.06534	4.2
219.01761	12.7
225.04340	9.7
234.56622	1.2
237.02798	45.1
241.12993	1.3
242.03374	1.5
246.27240	1.2
249.04460	3.1
255.03949	6.2
260.04446	2.6
261.04529	2.2
267.05347	1.9
280.74411	1.0
308.69940	1.1
309.06442	17.2
327.07495	100.0
328.07721	1.4
339.99402	1.2
350.09164	7.3
369.08627	16.6
369.12967	1.8
369.22772	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
55.01863	0.7
55.05493	1.1
56.96560	0.5
57.03427	0.8
61.02921	0.3
65.03641	0.4
65.03934	3.9
67.05489	1.2
69.03423	2.6
69.07068	0.3
70.06588	1.2
71.04985	0.7
71.60269	0.4
72.08145	0.4
74.02427	0.6
75.03204	0.6
77.78286	0.2
79.05482	1.1
81.03407	6.8
81.07046	1.3
83.04992	0.5
83.08615	0.4
84.04510	0.3
84.08123	0.4
85.02896	4.1
87.00822	0.8
88.03988	4.8
91.00917	0.3
91.05462	1.6
93.07064	1.2
95.04951	2.6
95.06069	1.3
95.08609	0.9
97.02875	2.9
97.06524	0.6
97.10173	0.3
99.04436	1.4
105.07040	1.3
107.04942	2.1
107.08595	0.5
109.02863	3.1
109.06474	0.3
109.10141	0.4
110.07135	0.5
111.04433	3.9
112.11268	0.3
113.07102	0.3
116.13255	0.3
116.90453	0.3
116.98636	0.3
117.07005	0.3
119.04902	0.5
119.08575	1.0
120.08122	0.6
121.02855	100.0
121.03867	3.0
121.06473	5.5
121.10181	0.4
121.61124	0.2
122.03191	0.6
122.06838	0.9
123.04478	0.4
127.03890	3.3
129.07008	0.3
131.08508	0.4
133.06479	0.3
133.10118	0.5
134.83276	0.2
134.99651	0.3
135.11678	0.4
136.07552	0.3
137.01390	0.8
137.05994	0.9
137.09656	0.3
139.03894	1.7
139.04860	0.3
143.08562	0.3
145.06505	0.3
147.04305	0.3
165.09074	0.3
168.13838	0.2
168.76630	0.2
175.03911	0.5
175.07552	0.4
177.05379	0.3
186.14914	0.2
188.45117	0.2
193.12181	0.3
199.07523	1.0
205.06526	0.3
205.12294	0.2
207.06516	1.0
231.04996	0.5
249.10350	0.3
263.11807	0.7
265.06912	1.5
265.13403	0.3
289.10840	0.3
289.14288	0.4
306.20709	0.7
307.15341	0.7
307.20990	1.7
309.12421	1.2
315.86194	0.3
330.20181	0.3
337.10880	0.8
339.12173	0.5
351.07175	0.7
368.26517	0.2
368.73160	0.4
369.08487	0.4
369.14313	2.4
369.18597	0.5
369.22598	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.0
55.01886	11.0
55.05517	48.2
56.05843	7.7
56.96569	10.8
57.03440	36.2
58.03769	8.3
67.05511	57.7
68.05842	13.7
69.03425	6.3
69.07082	27.0
70.06599	8.0
70.30134	8.4
70.30486	13.1
71.08634	10.3
75.04502	5.3
79.05500	55.3
80.05814	17.2
81.03428	9.5
81.07060	76.8
82.07390	19.5
83.04994	6.0
83.08628	26.1
84.08139	7.7
84.08935	4.6
85.06546	9.4
91.05474	48.1
92.05810	18.0
93.07047	49.5
94.07369	25.6
95.04967	20.6
95.08603	39.6
96.05293	7.8
96.08948	14.7
97.06541	10.7
97.10168	6.9
99.08096	12.9
105.07037	46.6
106.07384	19.8
107.04950	26.3
107.08611	40.5
108.05325	9.1
108.08942	22.0
109.06517	20.3
109.10145	23.2
110.10519	4.4
111.08127	5.9
112.08403	5.2
117.07050	16.8
118.07362	15.3
119.08605	43.7
120.08904	21.0
121.10143	25.7
122.06917	5.6
122.10503	13.1
123.08105	4.9
123.11678	5.1
125.09626	8.2
126.10017	5.6
129.07045	9.1
131.07059	12.3
131.08568	29.7
132.08922	18.2
133.10143	27.8
134.10489	17.7
135.08026	8.5
135.11728	6.8
136.12030	6.7
137.09677	5.0
143.08502	6.4
144.08951	5.7
145.10098	26.0
146.10483	21.2
147.11678	21.1
148.12054	11.7
149.09660	17.7
149.13232	6.1
150.09975	17.8
157.10126	8.8
158.10551	4.8
159.11726	18.1
160.12036	21.5
160.63763	4.0
161.13254	5.7
163.11211	6.4
164.11562	8.9
165.12874	7.1
165.60115	4.3
166.13123	9.2
166.58969	4.4
169.10081	4.5
172.12022	5.9
173.13332	6.8
174.13588	7.0
184.12093	5.1
185.13359	7.5
186.13647	12.8
202.16750	6.4
203.14345	9.6
204.14644	16.1
215.17972	4.9
217.07579	5.7
219.17522	29.0
220.17799	69.5
229.88835	4.3
240.18344	8.5
248.20869	4.2
257.19043	8.7
258.19394	18.0
275.20032	28.6
276.20435	100.0
277.21588	5.4
294.21466	19.2
299.24789	4.7
350.24005	49.7
368.18054	9.5
368.24774	19.8
369.15063	6.3
369.19421	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	368.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12764	4.1
52.23501	3.7
52.54058	3.3
53.03934	4.1
53.09746	3.7
55.01862	10.9
55.05515	35.6
56.05843	4.7
56.96556	10.5
57.03441	27.1
58.06602	8.8
60.04527	39.9
61.40025	3.7
62.48884	3.4
63.36641	3.4
65.03935	3.8
67.05508	58.2
68.05820	8.2
69.03423	7.4
69.07076	32.8
69.67047	26.4
70.06599	9.0
71.04975	7.6
71.08638	7.8
72.26682	4.0
79.05493	53.8
80.05021	6.0
80.05794	7.3
81.03403	4.5
81.07055	86.0
82.06596	4.7
82.07349	8.0
83.04962	17.9
83.08612	17.1
84.04496	4.3
84.08150	6.7
85.06535	6.4
86.09727	9.3
91.05474	42.3
93.07050	49.3
94.07375	9.3
95.04967	21.6
95.08601	38.7
96.08926	6.9
97.06512	13.9
97.10149	14.8
98.21531	7.0
99.08070	6.4
100.07619	5.1
102.26343	4.1
105.07020	38.0
106.07370	8.4
107.04948	15.0
107.08595	46.3
108.08128	7.8
108.08898	5.1
109.06508	30.3
109.10154	13.3
110.06057	4.7
111.08115	4.1
112.07560	6.5
117.07013	14.3
119.08578	26.6
121.06538	7.1
121.10155	26.3
122.09651	4.7
123.08054	12.6
123.11716	4.7
125.09636	11.1
128.10655	6.2
129.07008	6.1
131.08575	14.7
133.10143	17.0
134.10455	6.1
135.08070	8.5
135.11679	13.4
139.11316	3.7
143.08525	6.1
145.10114	13.0
147.11676	18.1
149.09641	11.4
149.13235	7.1
151.98271	4.5
152.10652	3.9
157.10248	4.8
159.11736	4.6
160.11998	5.4
163.11217	7.1
164.33046	4.5
165.12759	10.8
170.11800	4.6
180.13809	7.4
182.15387	14.5
189.11273	10.1
196.13321	8.3
197.07303	6.1
208.13367	13.2
217.15810	4.3
219.17494	4.0
220.17822	5.8
220.33121	3.9
224.16426	31.3
226.14313	5.3
244.09442	7.7
255.08969	6.3
256.09503	6.8
258.19299	10.6
262.10333	5.4
268.15338	6.4
270.17288	4.7
273.18469	13.4
274.10452	6.9
275.20010	5.9
276.20346	31.5
290.21194	22.3
291.19479	16.9
294.21011	5.0
308.22052	22.1
350.17126	18.0
350.23367	30.0
368.17841	20.7
368.24463	100.0
369.25616	4.7
386.19220	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	368.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.2
55.01855	5.6
55.02464	1.5
55.05505	25.9
56.05017	1.9
56.96546	4.8
57.03443	7.3
57.07068	13.3
58.06596	7.8
59.04996	2.3
60.04522	33.6
65.03905	2.0
67.05501	28.7
67.36249	1.5
68.04997	1.8
68.05833	2.8
69.03423	4.7
69.07063	63.9
70.04060	5.0
70.06583	3.5
70.07396	1.5
70.07832	2.4
70.56342	1.8
70.66008	1.5
70.66333	4.2
71.04990	10.9
72.04517	2.0
75.00026	3.3
79.05485	28.1
80.04995	1.7
80.05814	2.1
80.83762	1.4
81.03396	4.3
81.07053	29.1
81.46284	1.4
81.54305	1.4
82.07365	2.8
82.15771	1.4
83.04958	7.0
83.08603	16.3
84.08139	12.7
84.08892	1.7
84.56878	1.4
85.06521	4.6
86.09698	37.6
88.07610	4.6
91.05481	16.9
93.07043	26.0
94.07354	2.2
95.04983	11.8
95.08627	14.9
96.08108	3.9
96.08961	2.0
97.06512	5.6
97.10149	17.7
100.07614	2.9
105.07024	13.3
106.06527	2.2
106.07271	1.5
107.04956	9.0
107.08591	14.6
108.08100	2.3
109.06500	8.8
109.10143	7.3
110.09652	2.5
111.04430	4.1
111.08064	2.6
112.07603	31.1
113.01582	1.6
113.05991	4.1
115.07572	7.1
117.06986	7.3
119.08578	8.1
120.08128	2.0
121.06496	7.4
121.10143	13.7
122.09669	11.5
123.08041	8.9
125.09610	15.8
126.09122	1.7
126.99477	5.0
128.04556	37.6
128.06134	2.0
128.10707	41.3
129.01022	7.9
129.07010	2.9
129.11020	1.8
130.08623	4.0
131.08557	8.9
133.10101	5.8
134.09660	1.7
135.08072	8.4
135.11700	4.3
137.09587	3.2
138.12749	1.9
141.01039	9.3
143.08546	2.3
143.32271	1.6
145.06456	3.4
145.10135	6.8
147.08022	3.4
147.11653	3.8
148.11151	3.1
149.09615	3.3
153.09166	1.9
153.12776	1.9
154.08604	6.4
155.02553	4.9
157.03972	3.9
158.97578	8.4
159.11655	4.1
161.09602	2.6
163.11227	4.0
169.10065	2.3
172.09718	11.6
173.11711	1.7
173.13130	2.0
177.12776	3.4
180.13821	11.4
187.11150	3.1
189.11205	14.1
191.10724	2.8
195.13831	2.2
197.07262	25.2
217.15866	3.0
223.13321	4.7
224.16383	2.1
229.07480	5.1
236.24724	1.5
241.09764	2.9
242.52994	1.5
247.08556	7.0
248.16353	1.8
272.20050	2.8
273.18506	10.6
276.20401	6.2
290.21179	12.1
291.19473	21.2
308.22253	20.4
332.22223	3.8
333.17545	1.8
350.23260	20.6
351.18256	2.5
368.09259	28.6
368.15292	6.8
368.24329	100.0
369.09445	3.1
369.19421	9.0
369.24323	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	368.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.4
53.32150	0.7
55.01866	7.0
55.05504	1.7
57.03431	7.1
58.00619	0.8
61.02917	7.1
67.05497	2.1
68.99783	2.2
69.03423	37.2
69.07062	1.6
69.77524	2.3
69.77942	2.6
70.06598	0.9
71.04986	4.2
72.08146	1.4
73.02907	5.7
79.05474	1.5
80.02140	0.8
81.03413	23.5
81.07039	2.4
83.01322	1.2
83.04951	1.0
83.08621	0.9
85.02897	100.0
87.00824	43.2
87.04440	1.3
91.03963	1.4
91.05460	1.8
93.07038	1.4
95.04983	1.1
95.06057	1.1
97.02276	1.7
97.02885	32.1
99.04443	11.7
101.02393	0.9
105.01857	69.7
105.07016	1.5
107.04956	3.1
108.04493	2.1
109.02104	1.5
109.02869	29.5
110.38301	0.8
112.26942	0.8
112.69155	0.8
114.09184	1.0
115.03953	1.1
117.01830	3.7
119.08526	1.0
121.06537	0.8
126.05490	1.3
127.03904	69.6
129.01822	3.0
131.93175	0.8
133.10088	0.8
145.04947	35.1
145.10152	0.9
147.02861	2.2
159.02888	14.3
171.02840	1.1
189.03922	3.7
207.06502	1.1
211.13242	1.9
213.03970	2.8
230.06773	1.7
231.04962	17.5
249.06015	2.9
308.22162	0.8
368.20767	2.9
368.24661	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	368.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64384	0.5
53.03919	0.6
54.35727	0.4
55.05505	0.6
56.05030	1.3
57.03459	0.4
67.05509	2.3
68.05028	1.0
69.03444	0.6
69.07068	0.8
70.06588	1.7
70.28324	0.8
70.28728	1.4
71.04969	0.8
71.85601	0.4
72.08118	0.5
79.05479	2.1
81.04525	1.7
81.07057	4.1
82.05309	1.8
83.06097	16.4
83.08606	0.6
84.08127	0.6
85.02882	0.8
86.09705	0.8
87.04416	0.4
91.05479	2.4
92.81492	0.4
93.04521	10.2
93.07055	2.2
95.04958	0.6
95.06085	16.3
95.08612	1.8
97.06512	0.4
107.04949	3.2
107.06071	1.6
107.08615	1.3
109.07642	0.8
110.07159	74.5
111.05568	2.0
112.08713	1.8
113.07117	1.8
120.05585	2.0
120.08128	0.5
121.07644	1.3
121.10154	0.6
131.05998	0.7
131.08533	0.8
131.78566	0.4
133.10182	0.6
136.07535	1.5
138.06688	0.7
147.04465	0.6
149.13275	0.5
156.07692	5.0
166.06152	0.7
178.72520	0.4
247.10812	0.6
259.18002	2.3
277.19086	9.1
286.19229	1.6
287.17685	0.5
295.20181	0.5
304.20251	5.8
305.18460	0.6
307.20148	0.7
322.21240	30.5
323.21606	0.8
324.22769	1.5
350.20477	1.1
368.21765	100.0
369.22195	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	368.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
55.05509	1.5
56.05029	1.5
56.96596	0.8
60.04509	1.1
61.02921	0.7
63.89881	0.8
67.05482	1.6
68.05022	1.2
69.07060	0.9
70.02956	1.6
70.06593	100.0
71.06941	1.1
71.57890	1.1
72.08152	4.2
75.48719	0.7
79.05492	1.8
81.04529	0.8
81.07055	1.5
83.06097	6.9
84.04501	2.6
84.08165	4.9
85.02914	0.7
86.09707	4.9
88.03993	24.8
91.03960	0.6
91.05474	4.9
93.04520	3.7
93.07034	1.3
95.04967	1.5
95.06087	5.4
95.08643	0.9
97.06494	0.9
103.05471	5.7
104.10751	1.4
105.07042	1.8
107.04956	57.4
110.07171	24.1
112.08767	1.4
113.07117	1.0
115.05476	1.3
116.07066	1.0
117.07059	2.1
119.04939	3.8
120.08118	2.5
121.06541	1.9
128.06232	1.5
129.06993	5.0
129.10245	2.5
130.06520	1.3
131.04939	19.7
131.05933	1.0
132.05719	6.5
133.06523	1.6
135.04407	0.7
136.07578	1.9
141.07025	1.2
144.08105	0.8
145.06499	9.4
147.04417	0.8
149.06018	1.7
156.07721	1.7
157.06509	10.0
163.07481	1.4
169.06456	4.9
175.07585	2.0
184.07364	1.9
188.07167	0.7
190.07770	1.8
193.10043	0.9
202.07784	1.5
203.08664	1.7
205.10139	1.6
207.08029	1.3
215.08591	2.5
218.07295	2.5
219.08144	1.3
220.08893	2.1
221.09584	2.8
223.07683	1.6
223.11098	1.0
223.40297	0.8
231.08195	0.7
233.09555	3.6
235.11139	6.8
245.09615	1.8
247.07535	1.2
248.08334	1.1
249.09108	7.4
251.10678	8.5
261.09134	9.3
262.09732	1.3
263.10678	14.7
275.10687	2.1
277.18982	3.2
287.10776	1.8
304.20193	1.8
322.21255	9.4
330.34949	0.7
338.13928	1.5
350.13950	1.5
368.17426	1.4
368.21829	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.4
56.96556	0.3
57.03435	0.7
59.04976	0.3
59.31704	0.3
61.02928	1.0
65.03926	0.4
69.03429	2.6
70.06581	1.2
71.58930	0.5
73.02885	0.8
81.03403	1.4
85.02896	6.0
87.04467	0.6
89.03915	0.7
91.03937	0.4
94.57416	0.3
95.04981	0.4
95.06062	0.4
97.02885	2.3
98.97584	0.5
99.04436	0.7
107.04952	4.1
109.02861	0.9
110.07159	3.3
112.45606	0.3
116.98594	0.4
118.06504	0.3
120.08110	0.4
121.02867	1.4
123.04401	0.4
127.03899	1.3
132.04436	7.1
134.08080	0.3
135.04388	1.0
145.02855	0.6
145.04942	1.3
146.05988	0.8
147.49188	0.3
149.02341	1.4
153.82466	0.3
156.07684	2.8
159.42593	0.3
160.03902	0.5
163.03889	3.0
176.07164	0.4
177.01823	1.2
178.04980	67.4
178.98628	0.3
179.05302	1.6
188.07086	0.6
189.07431	1.5
206.04469	100.0
207.04811	2.4
219.01831	0.3
231.08470	0.4
236.13676	0.4
243.85989	0.3
262.11786	1.5
368.09741	0.9
368.15680	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	21.3
57.03429	3.5
57.07067	16.2
65.03906	5.7
67.05503	44.1
69.03420	6.2
69.07060	23.5
69.85978	17.1
71.04979	5.6
79.05489	38.0
80.96057	3.1
81.07051	59.0
83.04971	7.0
83.08605	11.7
85.06512	5.5
85.19976	3.0
91.05471	55.7
93.07037	91.6
95.04964	40.6
95.08601	69.5
97.06535	18.1
105.07023	95.1
107.08593	60.5
109.06498	18.3
109.10156	36.5
111.08123	3.4
115.05453	4.4
117.04137	3.2
117.07008	23.6
119.08572	100.0
121.06516	9.3
121.10124	49.3
121.95819	3.0
123.08019	10.0
123.11710	14.8
128.06216	13.7
129.07030	20.6
130.07742	10.7
131.08556	59.2
133.06465	5.2
133.10126	62.6
135.08075	19.3
135.11673	23.4
137.09654	6.4
141.06915	6.8
142.07774	24.4
143.08563	43.1
144.09271	7.6
145.10114	73.5
146.07230	7.0
147.08060	11.3
147.11681	22.9
149.09604	18.2
149.13286	5.3
155.08548	10.5
156.09344	16.2
157.10120	55.6
158.10884	7.4
159.08017	6.7
159.11688	46.0
160.12186	3.9
161.09604	46.4
161.13211	9.8
163.11200	7.3
165.07126	3.2
166.07726	3.0
167.08565	8.9
169.10127	17.1
170.10875	9.2
171.11691	31.0
172.12456	5.0
173.09619	6.0
173.13292	24.6
175.11220	9.7
175.14868	19.2
179.08522	8.9
181.10167	10.3
182.10907	7.9
183.11702	18.6
184.12564	3.4
185.09674	4.6
185.13293	19.8
187.11101	4.4
187.14827	13.8
193.10149	5.5
194.10855	6.0
195.11708	12.7
196.12534	4.8
197.13269	17.6
199.14816	15.3
201.12776	4.2
201.16367	7.8
207.11719	7.4
209.13255	21.7
210.13916	3.9
211.14847	9.0
213.12756	5.5
213.16429	6.9
220.12224	3.4
221.13234	5.3
223.14877	6.6
225.16312	4.1
227.14226	25.2
229.15808	3.8
237.16394	5.2
239.17889	7.9
253.19551	5.6
255.17494	6.2
265.19522	5.7
269.18893	4.6
275.17941	3.6
349.25192	8.9
367.26434	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	367.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.5
55.05503	27.2
57.07061	19.3
67.05490	48.2
69.07070	24.1
69.65094	5.4
70.09583	31.1
71.04990	16.2
79.05500	30.4
81.07059	52.3
83.04973	7.6
83.08645	12.3
85.06535	8.7
91.05472	66.5
91.73824	6.0
93.07039	87.7
95.04973	43.0
95.08599	55.8
97.06539	9.7
98.20753	6.6
105.07027	93.3
107.08598	61.2
109.06509	22.8
109.10156	45.4
117.07023	19.4
119.08578	100.0
121.06493	13.1
121.10150	49.4
123.11709	14.5
128.06206	19.7
129.07018	16.0
130.07805	6.3
131.08572	62.9
133.10120	61.2
135.08055	21.3
135.11700	25.4
137.09576	7.0
142.07758	15.7
143.08589	40.4
144.09326	9.9
145.10135	61.2
147.08000	10.5
147.11732	19.2
149.09631	17.9
155.08636	16.0
156.09360	16.8
157.10129	52.5
158.10902	10.3
159.11687	45.1
161.09636	38.3
161.13364	9.5
163.11162	10.9
168.09413	6.7
169.10106	32.3
171.11713	24.3
173.09576	12.0
173.13258	25.8
175.14871	17.2
179.08534	11.9
181.10091	11.4
183.11697	25.3
184.12433	8.1
185.13252	19.1
187.14818	12.7
194.10938	11.3
195.11717	16.6
197.13283	14.4
199.14864	17.4
209.13290	15.3
211.14819	12.6
213.12889	6.4
227.14339	25.3
237.16289	7.0
239.17998	12.2
265.19373	6.5
267.89154	6.1
327.05350	6.0
367.21182	14.3
367.26096	15.6
380.89117	6.6
387.46622	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.6
54.18290	1.7
55.01874	19.8
55.05511	39.3
56.33391	2.2
56.65341	1.6
57.03439	27.2
57.07069	6.5
65.03938	3.8
67.05505	100.0
69.03430	10.3
69.07071	23.2
71.04990	8.0
71.08627	9.2
71.58901	2.3
79.05495	58.9
79.05969	3.0
81.03419	15.2
81.07059	93.9
83.04975	19.8
83.08619	18.6
85.02905	2.7
85.06548	10.0
91.05480	83.2
93.07043	53.1
95.04968	29.6
95.08606	43.4
97.02884	2.9
97.06539	9.9
97.10181	7.1
99.04436	3.0
99.08067	9.4
101.06059	1.8
105.07032	58.1
107.04952	19.9
107.08593	53.9
109.06508	13.5
109.10159	52.4
109.10916	3.0
111.04455	3.0
111.08099	6.2
112.96474	2.0
113.09697	2.4
115.05493	3.2
117.07012	12.0
119.08591	21.4
121.06531	6.8
121.10147	11.4
123.04473	2.6
123.08061	11.5
123.11694	9.6
125.09634	12.6
129.07021	3.1
130.07820	2.8
131.08574	12.3
133.06499	2.8
133.09111	3.7
133.10127	75.1
135.08076	7.6
135.11710	13.9
137.09587	18.1
143.08575	5.4
145.06514	1.9
145.10139	11.9
147.11633	10.8
149.09633	9.0
149.13257	4.9
151.11182	42.7
152.11523	2.0
157.10095	2.3
159.11699	8.2
161.09697	2.6
161.13223	3.1
163.11165	13.8
163.14781	2.6
165.09077	4.1
165.12791	2.5
169.10176	3.0
169.12219	6.5
173.09589	2.8
173.13322	4.9
177.12752	6.3
179.10638	2.2
187.14819	2.3
195.13872	2.1
215.12730	2.3
229.19441	2.5
247.20572	4.4
253.14377	6.7
257.18927	4.2
275.20029	32.6
275.22769	3.4
293.21078	8.6
349.23807	5.2
367.24771	21.2
368.25049	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.7
55.01866	9.6
55.05511	20.6
57.03436	18.7
57.07079	2.2
59.43005	2.0
65.03930	2.5
67.05504	60.7
69.03420	4.2
69.07072	31.0
70.03358	5.3
70.03773	7.8
71.05001	4.3
79.05489	44.3
81.03428	5.0
81.07054	100.0
83.04959	5.8
83.08617	17.9
85.06509	3.3
91.05472	36.6
93.07039	40.1
95.04967	11.3
95.07989	2.4
95.08604	43.9
97.06531	16.5
97.10175	5.4
99.08095	2.6
104.10715	2.2
105.07026	39.9
107.04917	10.9
107.08595	29.2
109.06514	14.1
109.10145	18.1
111.04485	2.6
111.08102	3.1
117.07002	13.1
119.08579	31.5
121.06528	3.7
121.10152	18.7
123.08077	7.6
123.11732	10.4
125.09615	5.6
129.07028	5.0
131.08566	16.0
133.10109	24.1
135.08066	5.8
135.11685	9.9
137.09616	5.8
143.08537	3.9
145.10115	19.7
147.08076	3.6
147.11674	19.2
149.09576	11.2
149.13246	8.1
151.11182	4.1
155.08557	3.3
157.10172	4.5
159.11703	12.0
161.13293	5.6
163.11176	8.7
165.12746	5.2
169.10223	3.1
171.11674	3.5
173.11848	2.5
173.13326	5.9
177.12732	4.9
183.11679	3.6
185.13281	3.4
187.11165	3.1
194.05400	2.8
201.20589	2.7
212.90462	2.4
213.16451	2.6
229.19507	3.0
239.17986	7.9
247.20534	4.5
257.18942	8.9
275.20071	70.1
293.21204	4.2
349.23520	14.4
367.24957	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.3
54.00096	1.6
55.01861	6.1
55.05507	19.8
56.96552	3.0
57.03432	19.5
57.07071	4.5
60.63714	1.5
66.79669	1.5
67.05500	28.5
69.03431	2.3
69.07064	27.7
70.07387	1.7
70.29979	3.6
70.30394	5.2
70.95843	1.9
71.04975	2.1
71.08624	21.1
72.93775	4.1
79.05481	28.3
81.03400	3.4
81.07053	31.7
83.04980	5.1
83.08611	7.1
85.06525	4.1
90.94834	4.9
91.05473	27.5
93.07039	27.1
95.04961	6.3
95.08598	23.4
97.06527	5.6
97.10162	9.3
99.04450	1.9
99.08072	13.5
105.07030	24.4
107.04933	8.6
107.08588	20.2
108.95896	2.5
109.06507	5.5
109.10130	10.7
111.08071	4.2
113.09618	2.1
114.03017	30.0
117.07019	8.3
119.08585	16.5
119.70696	1.9
121.06512	5.4
121.10148	12.5
123.08087	3.5
123.11713	4.2
125.09625	4.9
128.04553	100.0
129.01067	2.5
129.06987	4.8
131.07025	2.2
131.08575	12.4
133.10126	11.7
135.08011	2.0
135.11707	5.4
137.09636	2.9
139.11153	1.7
143.08546	4.2
145.10120	8.3
147.11647	6.4
149.09619	6.8
149.13301	3.1
151.11116	2.1
155.08557	1.9
157.10127	4.7
159.11691	7.4
163.11171	2.2
164.99933	2.5
166.98997	3.1
167.10681	3.1
169.10103	1.8
171.11726	2.3
173.13242	2.6
177.12721	2.9
183.11705	2.8
185.13219	5.8
185.84789	1.9
189.11224	4.4
194.10938	2.0
201.16364	3.4
203.14354	3.8
211.09358	3.3
219.17418	64.1
239.17950	1.9
245.04718	5.7
247.20598	2.6
267.06705	3.0
275.20023	22.9
276.20428	2.2
283.06439	2.5
293.21082	72.2
294.21439	2.9
312.03726	8.7
349.14661	5.1
349.23880	12.3
367.17209	2.6
367.21146	5.0
367.25009	30.8
368.31329	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	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.9
55.01867	14.9
55.05514	38.7
56.96555	6.7
57.03432	36.3
57.07077	6.7
59.68966	4.3
67.05499	75.1
67.69771	3.8
69.07068	38.8
70.22215	18.2
70.22624	7.8
71.04993	7.6
71.08633	14.0
79.05495	70.5
81.03406	7.0
81.07053	92.0
83.04979	11.1
83.08613	19.9
85.06553	10.7
91.05478	74.7
93.07044	69.7
94.26558	4.6
95.04975	15.1
95.08602	65.8
97.06544	17.9
97.10139	11.9
98.21417	5.3
99.08106	5.5
105.07032	60.7
107.04971	12.1
107.08591	45.5
109.06523	24.4
109.10147	30.9
111.08112	6.3
113.05992	4.8
117.07030	25.3
119.08573	51.2
121.10140	26.5
123.08124	10.3
123.11701	5.2
129.07010	9.9
131.07047	11.9
131.08553	32.7
133.10130	44.0
135.08052	10.5
135.11722	17.5
137.09639	10.7
143.08566	7.1
145.10117	32.1
147.11678	29.9
149.09612	20.2
149.13258	7.8
151.11197	7.5
157.10202	6.9
159.11693	32.0
161.13286	6.6
163.11194	11.5
165.12759	9.6
173.13258	8.5
175.11116	5.1
177.12750	8.9
185.13306	11.1
187.14865	5.8
189.11238	7.1
201.16457	11.9
203.14349	17.6
205.15822	6.5
219.17422	54.1
220.17909	5.5
229.19614	5.6
239.17952	13.2
257.18991	26.3
267.15930	5.0
273.09998	6.7
275.20059	100.0
275.22797	8.4
276.20361	6.4
288.51013	4.8
293.20975	29.9
349.16879	6.2
349.23718	30.9
367.17947	17.5
367.24689	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46136	4.7
53.03920	5.7
55.05511	35.5
56.96557	15.6
57.03434	35.4
58.97194	4.8
60.22171	5.3
67.05502	53.9
69.07064	53.3
70.12570	27.7
78.71838	4.7
79.05497	54.0
81.03410	9.2
81.07061	57.1
83.04959	12.7
83.08611	15.7
85.06539	11.2
91.05478	57.7
93.07045	48.5
95.04961	13.2
95.08614	45.9
97.06504	10.2
97.10153	8.8
98.21534	5.0
105.07028	61.7
107.04945	22.1
107.08574	32.9
109.06511	10.6
109.10160	14.2
111.08084	9.2
117.07005	20.3
119.08571	36.2
121.06458	9.7
121.10155	17.3
122.82869	6.2
123.08073	6.3
125.09624	11.4
129.06996	8.4
131.07033	19.8
131.08548	31.1
133.10130	30.4
133.98936	6.2
135.08073	7.9
135.11667	11.2
143.08582	8.6
145.10069	25.9
147.08026	7.2
147.11673	19.6
149.08560	4.8
149.09613	23.6
159.11676	28.5
161.13304	6.0
163.11234	10.9
171.03300	6.4
171.11668	6.9
173.13219	9.2
183.11707	6.0
185.13263	20.0
199.06451	10.2
201.16409	10.0
203.14244	8.5
217.07487	18.9
219.17459	48.1
227.05916	11.3
227.12656	5.7
229.19423	7.0
239.17879	7.3
248.92221	5.0
257.19006	21.2
261.12854	6.2
275.20087	100.0
293.20978	10.8
334.23138	5.8
349.16922	6.8
349.23666	46.8
367.17841	20.0
367.24728	50.5
385.18903	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.7
55.01859	12.4
55.05509	63.9
56.96534	4.9
57.03421	26.9
57.07066	10.8
65.03953	4.9
65.22337	4.9
66.41320	4.1
67.05505	69.8
69.03422	7.1
69.07071	30.5
69.95605	13.0
69.96022	11.1
70.06558	5.2
71.04986	6.4
71.08636	62.6
79.05499	52.5
81.03429	8.7
81.07058	68.3
83.04981	9.2
83.08622	21.1
84.49445	5.0
85.06573	6.9
88.71294	4.0
91.05475	34.8
91.83065	3.9
92.96497	4.2
93.07048	48.3
95.04977	21.2
95.08600	41.1
97.06524	7.5
97.10182	24.4
98.20764	5.4
99.08082	42.7
105.07021	32.2
107.04948	12.4
107.08601	33.4
109.06537	10.5
109.10140	15.0
111.08073	8.1
116.98549	4.8
117.07009	13.9
119.08586	13.6
121.06553	9.6
121.10135	18.0
123.08083	4.7
125.09629	26.7
125.71067	4.1
131.08580	13.8
133.10112	29.1
135.08076	8.2
135.11702	8.9
137.09589	6.6
139.11195	5.5
143.08527	5.9
143.10716	4.8
145.10156	9.6
145.29491	4.8
147.11726	9.8
149.09619	13.2
149.13239	10.6
151.11171	8.4
151.45535	4.8
153.09171	4.5
159.11691	10.8
165.12764	11.1
173.13275	5.3
174.98965	4.3
189.00568	8.7
189.11211	16.4
246.23605	4.7
247.20576	4.9
257.19064	6.2
259.97791	5.5
275.20087	37.3
293.17874	6.1
293.21115	100.0
340.76227	4.9
349.23868	7.8
367.24643	80.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.5
55.01872	11.5
55.05511	35.3
56.71449	2.0
57.03439	18.1
57.07060	3.7
61.02931	21.4
65.03947	2.8
67.05508	46.9
69.03434	9.5
69.07069	35.5
69.28805	15.1
69.67534	1.8
71.04993	4.1
71.08289	2.2
71.08633	30.6
72.93807	1.8
73.02907	9.4
79.05492	35.8
81.03410	8.4
81.07059	48.0
83.04967	8.8
83.08615	14.7
85.02918	20.2
85.06526	4.7
91.03956	13.4
91.05483	24.6
93.07050	29.7
94.07372	3.2
95.04978	12.6
95.08607	27.6
97.02887	15.9
97.06511	5.1
97.10188	11.6
99.08095	22.5
105.07012	15.8
106.96337	2.2
107.04941	5.2
107.08591	20.0
109.06524	5.9
109.10155	16.5
111.04491	2.1
111.08085	2.2
111.11754	2.4
117.07034	6.3
119.08570	10.6
121.06484	4.7
121.10133	9.1
123.08048	4.3
123.11704	2.8
125.09602	12.4
127.03874	3.8
128.06206	3.0
129.07028	2.1
131.08566	9.0
132.59892	1.8
133.10133	11.6
135.08051	4.1
135.11659	10.8
137.09610	5.1
139.11200	3.4
140.98436	2.9
141.07018	2.3
145.10138	8.0
147.11665	5.2
149.09625	4.6
149.13274	7.0
151.11189	9.7
153.12685	2.7
155.00053	2.6
159.11700	5.2
163.11183	5.8
164.98489	4.1
166.98528	3.2
167.10747	5.0
169.01544	2.3
173.13351	2.0
176.96915	2.3
177.12798	6.9
178.98468	3.0
189.00610	4.1
189.11266	3.1
191.14374	2.5
192.83371	1.9
217.14319	2.6
219.17497	3.1
229.19652	2.3
233.67000	1.9
247.20570	3.1
257.19034	2.7
265.21539	3.1
275.20096	28.5
293.21109	100.0
294.21384	5.8
311.02863	3.0
334.15433	3.4
349.23792	3.5
367.24838	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2479
Annotation	(-)-Isomuronic acid
Peak:m/z	Relative Intensity
53.03928	3.6
55.01863	6.5
55.05510	26.3
57.03443	11.2
57.07065	3.4
59.33794	1.6
67.05179	2.4
67.05507	37.7
69.03413	4.4
69.07066	17.6
70.77594	5.2
71.04974	3.5
71.08634	19.3
79.05073	2.2
79.05499	32.0
81.03419	4.5
81.07057	39.6
83.04987	9.2
83.08632	10.2
91.05482	24.5
93.07044	29.7
95.04977	11.4
95.08610	21.7
97.06543	4.8
97.10172	8.9
99.08096	13.4
101.74186	1.8
105.07041	21.9
107.05003	9.2
107.08596	20.8
109.06556	10.1
109.10140	15.7
111.08067	2.6
117.07029	9.3
118.35129	1.9
119.08580	15.1
121.06507	12.2
121.10149	9.8
123.08085	4.5
125.09616	8.0
128.06158	1.8
129.06969	4.3
131.08580	18.0
133.06506	2.8
133.10121	20.2
135.08052	5.3
135.11668	6.7
139.11195	6.2
143.08627	2.1
145.06479	3.4
145.10101	13.5
147.08101	2.3
147.11684	11.2
149.09634	6.3
149.13232	5.1
151.11188	6.2
157.10117	4.0
159.11722	7.2
161.09615	5.8
161.13191	2.1
163.11176	7.5
171.11736	1.9
173.09630	2.6
173.13275	4.6
177.12721	5.2
183.11635	2.2
187.11235	3.1
189.11218	3.5
191.14365	3.5
201.12886	2.4
207.13792	2.7
215.17847	1.9
229.19536	2.1
239.18034	2.7
247.20555	4.1
257.18982	12.8
275.20053	100.0
276.20468	3.5
293.21124	33.3
319.67810	1.8
349.23795	26.4
367.24713	46.7
368.24905	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	17.4
55.05511	67.8
57.03432	14.6
57.07108	6.7
59.54942	7.6
61.16401	7.1
67.05511	64.6
68.27934	6.7
69.07071	20.9
70.65364	22.9
70.65756	7.0
71.04973	10.5
79.05498	100.0
81.07049	60.0
81.18979	6.6
83.04970	25.0
83.08615	36.5
91.05466	40.3
93.07055	49.8
95.04942	9.5
95.08605	27.5
97.06511	16.1
97.10165	37.5
105.07049	46.7
107.04952	37.6
107.08594	70.2
109.06494	7.7
109.10136	24.9
117.07018	13.0
119.08611	34.9
121.10159	26.8
123.11700	7.6
125.09630	34.6
129.07016	9.4
131.08527	19.5
133.10123	29.2
135.08102	11.5
147.11700	15.8
149.09641	74.2
155.43489	9.0
159.11716	13.8
167.07062	7.4
169.12241	7.7
173.13353	9.0
189.11214	20.9
227.12752	17.4
245.13881	15.8
257.08411	9.5
257.19058	19.9
275.20078	97.0
349.23660	28.1
367.24469	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	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04025	2.4
53.03937	5.8
55.01870	16.0
55.05508	34.9
57.03431	20.1
60.89756	1.9
65.03947	4.4
66.81951	1.8
67.05500	58.3
69.03414	6.3
69.07065	35.2
69.42271	13.3
69.42682	3.6
71.04983	4.3
71.08632	4.3
74.75200	1.9
79.05489	52.8
81.03399	2.6
81.07052	100.0
83.04964	6.6
83.08616	14.9
85.06521	6.2
90.60390	1.8
91.05474	39.5
93.07038	44.8
95.04969	13.4
95.08595	41.2
97.06527	21.7
97.10138	10.8
98.20796	4.4
99.08102	5.7
102.23990	2.0
103.03962	2.2
103.05493	2.5
103.63435	1.9
105.07025	43.2
107.04957	12.1
107.08583	33.0
109.06495	13.6
109.10154	21.4
111.08037	4.7
117.07017	12.7
118.07436	2.2
119.08572	35.1
121.06522	5.3
121.10152	17.8
123.08069	8.1
123.11710	11.1
125.09612	11.9
129.07028	4.0
131.08556	19.6
133.06471	2.4
133.10115	28.6
135.08043	7.0
135.11690	11.7
137.09674	4.6
142.07664	1.9
143.08556	3.9
145.10107	23.7
147.11682	24.0
149.09604	16.7
149.13228	7.0
151.11166	4.8
154.50366	1.8
155.08524	3.5
157.10110	8.3
159.11647	11.6
161.13242	6.7
163.11154	11.2
165.12770	5.4
169.10182	1.9
171.10208	4.8
171.11644	5.1
173.13261	6.7
175.11139	4.5
177.12756	4.5
179.14323	4.1
183.11699	2.3
189.11226	7.1
191.14307	2.0
193.12294	2.6
201.12727	2.7
229.19527	3.4
233.18994	4.2
239.17978	3.4
240.11256	1.9
247.20607	7.0
251.19949	3.2
257.19037	8.3
265.21707	3.9
269.17337	4.8
275.17255	3.9
275.20044	60.3
276.20401	2.5
293.21085	17.0
349.23682	20.2
367.18246	2.7
367.25082	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	367.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.2
55.01876	18.0
55.05255	2.7
55.05505	30.4
56.96547	4.5
57.03439	16.7
57.07063	3.4
64.96966	1.6
65.03928	3.1
66.82822	1.3
67.05499	51.9
69.03405	6.1
69.06719	1.8
69.07066	28.1
70.35664	2.3
70.36044	2.9
71.04977	5.7
73.64936	1.5
79.05489	53.0
80.05785	1.7
81.03402	3.5
81.07051	100.0
83.04988	12.4
83.08622	14.1
84.50165	1.4
85.06510	5.8
91.05474	42.1
93.05527	1.4
93.07031	46.7
95.04974	13.8
95.08046	2.4
95.08600	35.9
97.06521	19.4
97.10122	7.8
98.20820	1.8
99.08071	6.6
105.04462	1.6
105.07022	47.7
107.04958	11.6
107.08583	31.2
109.06512	15.2
109.10143	18.9
111.08065	5.5
112.69600	1.4
113.06033	1.7
117.07017	15.4
119.08561	34.3
119.51994	1.4
121.06517	7.3
121.10133	20.0
123.08066	6.3
123.11680	9.3
125.09613	7.9
129.07031	4.8
131.08557	18.6
133.10124	26.0
134.10410	1.5
135.08046	7.9
135.11664	9.5
137.09618	7.2
143.08557	3.0
145.10121	18.0
147.07976	2.3
147.11676	18.6
149.09612	19.3
149.13214	7.1
150.99454	1.7
151.11130	4.4
155.08601	1.5
157.10133	7.1
159.11693	14.6
161.09596	1.6
161.13255	5.9
163.11145	11.1
165.12726	5.1
171.10292	1.7
171.11700	4.9
173.13211	7.5
175.11110	3.3
177.12730	4.3
183.11664	3.7
185.13231	2.8
187.11377	1.5
187.14798	3.1
189.11224	3.8
193.12277	2.4
195.13768	2.5
197.13223	2.5
201.16319	1.9
215.14055	1.5
227.12668	2.8
229.07556	2.8
229.19496	3.6
233.15285	2.3
233.19037	2.1
239.18004	6.8
247.08569	4.1
247.20538	8.2
251.20140	1.6
257.18945	9.4
269.10687	2.3
269.17383	2.4
273.10080	1.8
275.20032	73.8
276.20386	3.7
293.21149	8.2
309.20505	2.0
347.15500	2.3
349.17044	2.2
349.23770	16.5
366.16498	2.8
367.24817	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.9
55.01867	16.7
55.05504	27.9
56.96551	6.6
57.03427	12.8
57.07070	23.2
58.06592	3.9
60.04526	3.3
67.05499	52.9
68.05846	2.0
69.03412	4.9
69.07060	100.0
69.72886	1.4
70.07835	6.0
70.15966	6.1
70.16332	2.7
71.04976	4.3
75.00029	2.5
79.05486	45.9
80.05809	1.6
81.03418	4.2
81.06571	3.0
81.07049	60.9
82.07375	1.4
83.04990	7.3
83.08625	12.5
85.06544	4.8
86.09700	3.0
88.39759	1.5
89.82614	1.3
91.05473	32.0
93.07034	35.5
95.04955	13.7
95.08595	27.5
97.06522	21.1
97.10165	13.4
98.21488	1.9
98.97593	2.0
99.00002	3.7
99.08089	2.3
102.41376	1.3
103.05456	1.8
105.07023	33.2
107.04932	21.4
107.08584	33.5
108.05289	2.5
109.06504	8.2
109.10148	17.8
111.08054	4.2
112.07603	3.9
113.01545	2.8
115.05433	2.4
115.07561	15.0
116.06108	1.4
117.07005	9.5
119.08559	24.1
121.06475	4.9
121.10136	16.2
123.08066	6.7
123.11687	7.7
124.85931	1.5
125.09626	14.6
126.99484	8.6
128.10721	3.4
129.01024	11.7
129.07030	2.6
131.08556	13.9
133.06540	1.6
133.10133	15.8
135.08072	5.8
135.11696	9.0
137.09596	4.4
141.01003	16.8
141.06973	2.8
143.08534	2.3
144.03209	2.7
145.10095	16.0
147.11687	12.6
149.09598	21.9
149.13225	6.6
151.11206	2.8
154.08652	2.2
155.02568	6.2
155.08578	1.9
157.03981	3.1
157.10095	2.9
158.97650	3.6
159.11647	8.2
161.09604	3.9
161.13242	5.4
163.11140	8.6
165.12799	2.8
169.10146	3.6
171.10158	6.6
171.11575	3.1
173.13268	6.8
177.12727	4.0
184.02634	2.1
185.13223	1.8
187.11140	1.7
187.14757	1.9
189.00481	2.2
189.11224	9.4
189.12683	1.6
195.13777	1.6
197.07289	47.2
197.13309	2.7
199.14792	1.8
205.12402	2.3
208.86459	1.5
223.13338	3.6
225.06761	2.2
227.12747	4.5
229.07573	1.8
229.19495	3.5
233.18954	2.3
236.46800	1.5
239.17946	6.0
241.07527	1.5
241.09790	4.3
243.09048	3.3
245.13843	3.9
247.08578	1.7
247.20636	3.5
255.09096	3.7
257.19043	8.4
261.10150	2.2
265.21439	2.0
269.17392	4.2
273.09970	3.2
273.18451	2.2
275.20041	51.7
276.20377	4.5
290.21143	2.8
291.19470	2.9
293.21057	2.5
308.22144	2.9
309.20593	2.3
349.16882	5.7
349.23813	19.7
350.23404	4.1
367.17789	10.3
367.24957	15.8
368.09280	31.6
368.24292	18.1
385.18692	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	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.9
55.01867	16.7
55.05504	27.9
56.96551	6.6
57.03427	12.8
57.07070	23.2
58.06592	3.9
60.04526	3.3
67.05499	52.9
68.05846	2.0
69.03412	4.9
69.07060	100.0
69.72886	1.4
70.07835	6.0
70.15966	6.1
70.16332	2.7
71.04976	4.3
75.00029	2.5
79.05486	45.9
80.05809	1.6
81.03418	4.2
81.06571	3.0
81.07049	60.9
82.07375	1.4
83.04990	7.3
83.08625	12.5
85.06544	4.8
86.09700	3.0
88.39759	1.5
89.82614	1.3
91.05473	32.0
93.07034	35.5
95.04955	13.7
95.08595	27.5
97.06522	21.1
97.10165	13.4
98.21488	1.9
98.97593	2.0
99.00002	3.7
99.08089	2.3
102.41376	1.3
103.05456	1.8
105.07023	33.2
107.04932	21.4
107.08584	33.5
108.05289	2.5
109.06504	8.2
109.10148	17.8
111.08054	4.2
112.07603	3.9
113.01545	2.8
115.05433	2.4
115.07561	15.0
116.06108	1.4
117.07005	9.5
119.08559	24.1
121.06475	4.9
121.10136	16.2
123.08066	6.7
123.11687	7.7
124.85931	1.5
125.09626	14.6
126.99484	8.6
128.10721	3.4
129.01024	11.7
129.07030	2.6
131.08556	13.9
133.06540	1.6
133.10133	15.8
135.08072	5.8
135.11696	9.0
137.09596	4.4
141.01003	16.8
141.06973	2.8
143.08534	2.3
144.03209	2.7
145.10095	16.0
147.11687	12.6
149.09598	21.9
149.13225	6.6
151.11206	2.8
154.08652	2.2
155.02568	6.2
155.08578	1.9
157.03981	3.1
157.10095	2.9
158.97650	3.6
159.11647	8.2
161.09604	3.9
161.13242	5.4
163.11140	8.6
165.12799	2.8
169.10146	3.6
171.10158	6.6
171.11575	3.1
173.13268	6.8
177.12727	4.0
184.02634	2.1
185.13223	1.8
187.11140	1.7
187.14757	1.9
189.00481	2.2
189.11224	9.4
189.12683	1.6
195.13777	1.6
197.07289	47.2
197.13309	2.7
199.14792	1.8
205.12402	2.3
208.86459	1.5
223.13338	3.6
225.06761	2.2
227.12747	4.5
229.07573	1.8
229.19495	3.5
233.18954	2.3
236.46800	1.5
239.17946	6.0
241.07527	1.5
241.09790	4.3
243.09048	3.3
245.13843	3.9
247.08578	1.7
247.20636	3.5
255.09096	3.7
257.19043	8.4
261.10150	2.2
265.21439	2.0
269.17392	4.2
273.09970	3.2
273.18451	2.2
275.20041	51.7
276.20377	4.5
290.21143	2.8
291.19470	2.9
293.21057	2.5
308.22144	2.9
309.20593	2.3
349.16882	5.7
349.23813	19.7
350.23404	4.1
367.17789	10.3
367.24957	15.8
368.09280	31.6
368.24292	18.1
385.18692	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	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.7
55.01859	12.4
55.05509	63.9
56.96534	4.9
57.03421	26.9
57.07066	10.8
65.03953	4.9
65.22337	4.9
66.41320	4.1
67.05505	69.8
69.03422	7.1
69.07071	30.5
69.95605	13.0
69.96022	11.1
70.06558	5.2
71.04986	6.4
71.08636	62.6
79.05499	52.5
81.03429	8.7
81.07058	68.3
83.04981	9.2
83.08622	21.1
84.49445	5.0
85.06573	6.9
88.71294	4.0
91.05475	34.8
91.83065	3.9
92.96497	4.2
93.07048	48.3
95.04977	21.2
95.08600	41.1
97.06524	7.5
97.10182	24.4
98.20764	5.4
99.08082	42.7
105.07021	32.2
107.04948	12.4
107.08601	33.4
109.06537	10.5
109.10140	15.0
111.08073	8.1
116.98549	4.8
117.07009	13.9
119.08586	13.6
121.06553	9.6
121.10135	18.0
123.08083	4.7
125.09629	26.7
125.71067	4.1
131.08580	13.8
133.10112	29.1
135.08076	8.2
135.11702	8.9
137.09589	6.6
139.11195	5.5
143.08527	5.9
143.10716	4.8
145.10156	9.6
145.29491	4.8
147.11726	9.8
149.09619	13.2
149.13239	10.6
151.11171	8.4
151.45535	4.8
153.09171	4.5
159.11691	10.8
165.12764	11.1
173.13275	5.3
174.98965	4.3
189.00568	8.7
189.11211	16.4
246.23605	4.7
247.20576	4.9
257.19064	6.2
259.97791	5.5
275.20087	37.3
293.17874	6.1
293.21115	100.0
340.76227	4.9
349.23868	7.8
367.24643	80.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	10.1
55.01862	15.5
55.05509	32.7
56.96527	4.0
57.03440	32.7
64.60291	4.0
65.03929	3.5
67.05503	96.5
69.03423	13.6
69.07066	48.4
71.04015	9.6
71.04969	6.5
71.08632	8.1
75.04446	3.9
79.05490	58.3
81.03416	7.0
81.07056	100.0
83.04984	10.0
83.08618	19.2
85.06539	4.1
91.05478	54.3
93.07040	64.6
95.04959	19.8
95.08604	52.9
97.06529	17.0
97.10157	13.2
99.08102	6.5
99.48032	3.8
100.11214	4.2
105.07028	56.0
107.04950	37.1
107.08593	37.0
109.06487	16.5
109.10152	29.5
111.08069	9.5
114.11527	4.0
117.07003	18.8
119.08571	41.3
121.06488	5.8
121.10149	21.8
123.08058	8.5
123.11679	8.7
125.09599	8.1
131.07040	5.7
131.08577	23.8
133.10149	35.8
135.08032	8.7
135.11690	14.7
137.09639	11.6
139.11180	5.7
143.08540	3.8
145.10133	22.0
147.11697	17.6
149.09592	25.6
149.13257	9.3
151.11165	5.4
157.10193	4.7
158.09978	9.1
158.11755	3.4
159.11684	15.2
161.09622	4.9
161.13321	8.6
163.11179	14.0
165.12782	10.4
169.10100	3.6
173.11797	7.4
173.13251	7.2
177.12691	8.5
185.13191	6.4
189.11127	6.2
197.13228	4.4
219.17442	10.2
229.14381	4.6
229.19501	4.0
239.17986	3.9
244.09958	7.3
247.20644	9.0
257.18985	14.7
261.12732	21.6
275.20068	65.4
293.21060	13.5
325.86673	4.4
349.23825	17.7
367.24811	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	367.209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	0.7
53.03933	0.9
55.01838	2.1
55.05510	6.0
56.96561	3.7
57.03408	2.8
57.07052	0.7
61.02883	1.0
67.05176	0.9
67.05499	13.1
69.03415	1.7
69.07072	6.8
70.06561	1.6
71.04974	1.5
72.08108	0.8
73.02905	1.0
77.00816	0.7
78.58334	0.7
79.05494	9.0
81.03381	2.7
81.07057	13.5
83.04976	1.2
83.08588	2.8
84.04479	1.5
84.08134	1.0
85.02866	1.0
85.06522	0.9
86.09695	0.9
88.11242	1.8
91.05477	7.8
93.06568	0.7
93.07042	8.9
94.07307	0.7
95.04928	2.7
95.08609	8.5
97.02874	0.9
97.06492	2.1
97.10137	2.9
103.05443	0.8
105.07029	7.5
107.04945	7.2
107.08586	5.4
109.02834	1.2
109.06474	2.8
109.10156	4.3
110.07158	1.0
111.08021	1.2
115.05385	0.7
117.06989	2.3
119.08575	5.1
121.06485	2.8
121.10088	2.9
123.08013	1.6
123.11653	0.9
125.09637	1.7
129.06984	3.9
130.07715	1.0
131.04822	1.5
131.08586	4.5
133.06511	1.0
133.10066	2.8
135.08020	1.6
135.11667	1.6
137.05887	1.5
137.09532	1.2
141.05435	0.8
141.06865	2.0
143.08502	2.0
145.06491	4.9
145.10141	3.5
147.11607	2.9
149.02284	1.2
149.09558	1.4
149.13168	1.2
151.03897	8.0
151.04984	1.3
151.11160	0.7
155.04907	0.8
155.08519	1.4
157.06432	3.1
157.10049	1.7
159.08017	2.1
159.11618	2.1
163.11108	2.1
167.08524	1.3
169.06430	1.9
169.10101	1.4
171.07991	2.0
171.14844	0.9
173.09561	0.7
173.13275	0.9
177.12697	1.2
183.07994	1.5
183.11543	0.9
185.09584	0.9
195.08034	2.0
195.11610	0.9
195.13712	0.8
197.09595	2.3
197.13208	1.0
199.14275	0.9
201.09679	1.0
209.09615	0.8
211.11157	1.9
215.10982	1.2
217.07443	0.9
217.15375	0.9
223.11093	1.1
225.12627	1.9
227.14186	0.8
231.10800	1.2
237.12677	1.9
239.11322	0.9
241.07253	1.0
253.13002	1.0
255.13712	2.7
257.12338	1.5
257.18942	1.5
259.08466	2.9
261.10040	0.9
269.10489	1.4
269.17368	1.0
271.13855	1.3
273.14728	2.9
275.20078	4.7
281.12753	1.1
285.09882	1.6
287.11633	1.2
299.13348	1.1
323.15128	2.0
339.23007	0.8
349.21503	4.3
367.20786	100.0
368.17728	1.4
368.21765	2.2
385.19370	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99236	1.0
55.01859	2.1
55.05511	6.0
56.96564	58.9
57.03431	1.5
58.79140	0.9
67.05495	5.3
69.07025	2.0
71.08627	1.1
71.95263	5.8
72.96008	1.7
74.97594	1.3
79.05473	2.9
81.07043	4.4
82.68750	1.2
83.08601	2.4
84.96006	1.3
85.65364	0.9
90.18736	0.9
90.66850	0.9
91.05456	3.0
93.07024	3.0
95.08600	2.5
97.96792	2.0
98.20742	3.2
98.66381	1.1
102.97038	1.4
104.97881	1.0
105.00114	2.0
105.07008	2.5
107.08608	1.7
109.06482	1.7
109.10179	1.6
110.97557	2.1
115.97845	1.3
117.06963	1.0
119.08537	2.1
121.10130	1.6
123.01189	3.3
124.27152	0.9
125.09588	1.2
127.00631	1.2
128.98566	2.7
131.08501	1.5
133.10110	1.2
137.02751	1.3
139.00627	1.8
140.38690	1.1
141.02194	3.2
145.01703	1.3
146.99617	2.2
151.00732	2.3
155.03856	2.4
157.01698	2.0
159.03220	1.7
163.02765	1.2
165.00684	1.3
167.03839	1.9
169.01703	4.3
169.05333	1.1
171.03305	5.2
175.02754	2.8
175.04196	1.1
181.05345	3.0
183.03239	3.9
185.04817	3.4
187.02763	4.2
189.04340	5.7
191.05864	1.8
193.03790	1.4
193.05391	1.4
195.03122	1.4
197.04846	11.7
199.06424	4.9
201.04358	13.3
203.05891	5.6
204.06744	1.4
207.09000	1.1
209.04897	2.7
211.06395	4.3
213.04182	1.4
213.07938	1.1
215.05884	11.7
217.05353	4.8
217.07463	9.5
219.05266	10.6
223.06438	3.9
225.07910	1.9
227.05861	3.0
229.07393	5.1
231.06949	2.5
235.06383	5.1
237.07951	18.0
239.05853	1.3
239.09538	11.8
241.07445	2.8
243.08989	2.4
247.06401	3.1
249.07971	12.0
251.09586	1.4
253.07529	7.1
255.09032	23.2
257.10638	6.0
265.07504	2.2
267.09045	22.8
271.08441	3.8
273.10144	3.4
275.20001	3.0
285.09982	9.4
293.20895	1.8
331.15726	6.8
349.16885	15.3
349.23581	1.4
367.17859	66.1
368.18127	1.5
385.18961	100.0
386.19461	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	367.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.3
56.96567	55.8
57.03430	2.4
67.05492	4.1
69.07059	3.2
71.08627	1.3
71.95264	4.6
72.96064	1.1
73.19259	0.9
74.97611	2.9
79.05486	2.5
81.07047	3.4
83.08605	3.1
84.96026	1.8
85.75664	0.9
85.81839	0.9
91.05460	3.6
92.98629	1.0
93.07027	3.3
93.92777	1.0
95.04981	1.4
95.08598	3.6
97.06490	1.1
97.10173	1.3
97.96845	1.5
98.21617	1.6
105.00166	1.6
105.07040	2.4
107.08588	1.4
109.06464	1.3
109.10142	1.4
110.97599	2.5
111.08025	0.9
119.08609	2.4
123.01214	5.2
128.98584	5.4
131.08580	1.7
133.10133	2.8
133.98891	1.3
137.02771	2.2
139.00641	1.4
141.02228	3.4
143.08577	0.9
145.10109	1.5
146.99681	2.8
151.00705	1.5
153.02182	1.4
155.03772	2.3
157.01758	2.0
159.03256	1.2
163.04385	1.3
167.03838	1.8
169.01703	3.4
169.05423	1.4
171.03282	4.2
173.04842	1.9
175.02791	2.1
181.05373	3.9
183.03325	3.8
185.04865	3.8
187.02808	3.4
187.06427	1.2
189.04340	3.4
191.03845	1.2
191.05983	1.2
195.03374	1.1
197.04871	10.3
199.06389	4.7
201.04337	12.9
203.05893	4.0
205.05565	1.2
205.07503	1.9
209.04930	2.0
211.06419	4.5
211.08330	0.9
213.04262	1.1
215.05884	14.8
216.06639	2.0
217.05368	4.1
217.07483	8.4
219.05295	9.5
219.06812	1.4
219.17438	1.4
221.08458	2.3
223.06416	2.7
223.08444	1.3
224.05760	1.3
225.08040	2.1
227.05855	2.1
229.07455	4.2
231.06978	1.5
235.06401	6.2
237.08025	19.4
239.07344	1.2
239.09599	12.2
240.09131	1.3
241.07451	2.6
243.09149	1.5
247.06436	2.4
249.07974	11.7
253.07465	8.2
255.09059	22.9
257.10550	4.9
260.09573	1.3
265.07529	2.2
267.09061	23.7
271.08514	2.5
273.10196	2.2
275.20126	4.5
278.10617	1.3
285.10019	9.2
293.21063	3.0
294.80283	1.1
319.55899	1.1
331.15762	8.1
349.16852	14.8
349.23596	1.5
367.17902	63.7
368.18130	3.3
385.18979	100.0
386.19208	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	367.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01837	1.1
55.05479	1.8
55.39355	0.9
56.96562	35.8
57.03424	1.6
67.05475	3.9
69.07039	3.3
70.28529	1.9
70.28924	1.5
71.95238	3.6
72.96018	1.4
74.97581	1.4
79.05473	6.0
81.07048	14.8
83.08604	1.2
84.96001	1.0
91.05464	2.3
92.64213	0.9
93.07053	1.1
95.04956	1.0
95.08576	3.2
97.96793	1.4
98.21400	1.1
98.97556	1.0
105.06989	2.6
107.04923	1.3
107.08580	1.9
110.97528	1.2
115.97805	0.9
116.98527	1.3
119.08530	2.0
128.98599	4.7
131.08556	1.2
133.10051	1.7
137.02658	1.3
143.00052	1.0
146.99614	6.3
149.09634	1.3
155.03755	2.5
159.03200	1.2
161.01231	1.3
165.00664	1.3
165.05763	0.9
169.77338	0.9
171.03253	2.6
173.04836	1.1
185.04840	2.2
187.02808	1.1
187.06297	1.8
189.04236	1.5
195.06862	1.9
199.06415	3.9
201.04138	1.2
203.05809	4.0
205.07332	1.0
211.06369	1.6
213.07919	7.6
217.07457	6.0
219.17320	1.1
221.08615	1.0
223.02704	1.4
223.06276	1.2
223.08435	2.7
225.07977	4.5
229.07458	4.4
231.09021	17.9
237.07965	1.7
239.09628	5.1
241.11121	4.0
243.09076	6.1
247.06245	0.9
247.08432	5.0
249.07822	0.9
251.09554	5.2
253.11127	1.0
255.09058	7.9
257.10565	4.4
259.12213	8.0
269.10568	37.0
270.10904	1.1
271.12039	1.3
273.10056	7.8
275.20090	4.5
279.09036	1.5
280.09729	2.1
287.08582	1.7
287.11609	23.7
292.12079	2.6
297.10120	5.7
298.10660	1.3
315.11081	3.3
331.15720	8.9
349.16794	20.8
349.23627	1.4
367.17749	100.0
368.18213	4.5
385.14413	1.5
385.18967	25.3
386.19339	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1864
Annotation	20,21,21-Trifluoro-3-methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol
Peak:m/z	Relative Intensity
50.01566	0.2
52.03129	0.2
53.03928	0.4
55.01826	0.7
55.05471	0.3
56.04987	0.5
57.03410	0.2
65.03934	1.4
67.05502	1.7
70.06541	0.4
71.01311	0.2
71.08628	3.1
78.45676	0.2
81.03369	0.3
81.07006	0.7
83.06085	1.2
84.02094	0.2
84.04499	8.2
85.02891	0.8
88.11265	16.4
91.05434	0.5
92.07319	0.2
93.06990	0.2
95.01341	0.2
95.04977	1.4
98.06052	3.5
102.05532	0.3
105.06980	0.3
107.04917	0.6
107.08527	0.2
108.02081	2.3
109.02872	0.4
109.92888	0.1
111.04409	0.6
115.95184	0.2
117.06932	0.2
119.08524	0.2
121.03978	0.1
121.06513	0.2
121.10123	0.2
125.05945	0.2
127.03774	0.2
130.04999	2.3
131.08556	0.2
136.01520	0.5
136.83572	0.2
137.05908	0.2
140.89529	0.2
141.05460	4.3
151.03900	100.0
151.04977	7.1
152.03084	0.3
152.04199	1.5
153.13863	4.5
154.12263	7.3
168.06552	0.5
171.14922	18.5
172.15344	0.3
199.14407	18.5
200.12819	6.7
201.13129	0.1
213.09561	0.2
215.11128	0.2
217.15466	11.2
218.15804	0.2
229.53731	0.2
231.10841	0.3
253.12918	0.3
271.14154	0.4
275.20099	0.2
281.13562	0.3
321.18332	0.5
328.73886	0.2
349.17453	1.3
362.41031	0.2
367.21182	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	367.179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.6
55.05506	5.4
56.96564	53.4
57.03435	4.9
63.34844	1.3
66.83095	1.3
67.05489	9.4
68.83681	1.3
69.07066	5.6
69.48820	3.7
69.49229	6.8
70.06612	1.4
71.95253	6.1
72.96038	3.0
74.97628	1.5
79.05490	10.4
81.07059	27.3
83.04987	1.9
83.08611	2.5
87.72225	1.1
91.05485	5.8
93.07066	6.0
95.04973	1.9
95.08607	7.5
97.06514	2.9
98.97583	1.3
105.00217	1.5
105.07028	5.6
107.04972	3.7
107.08591	6.9
109.06518	1.4
109.10151	3.5
110.97585	3.0
111.09781	1.2
115.97832	1.7
116.98637	1.4
117.06989	2.9
119.08581	4.6
121.10142	3.4
123.01232	1.5
125.09609	3.2
128.98593	8.1
130.87099	1.2
131.08585	3.8
132.50343	1.3
133.01762	1.3
133.10149	2.7
135.07953	1.6
137.02780	3.5
141.02292	2.1
143.08575	1.4
145.10097	2.4
146.99640	8.6
147.11674	1.5
149.09613	1.6
155.03838	2.6
157.01779	2.3
159.03300	1.9
159.11726	2.7
160.00446	1.3
161.01187	2.6
165.00862	1.6
169.01762	1.5
169.05360	1.7
169.71324	1.5
171.03244	2.1
173.01176	1.5
173.04863	2.7
183.03239	1.4
183.06747	1.6
185.04926	2.3
187.02858	2.2
189.04338	3.6
189.11249	1.7
195.06934	1.4
197.04819	1.6
199.06447	5.7
201.04326	2.1
203.05902	6.8
205.07414	1.9
211.06512	2.3
213.07985	13.5
217.07481	10.6
219.17293	1.5
223.08490	3.2
225.08034	4.9
225.93915	1.7
229.07445	6.9
231.09026	26.8
231.11249	2.1
233.54469	1.4
234.72830	1.4
237.04401	1.3
237.07918	2.4
239.09552	6.6
241.11131	5.4
243.08972	8.4
244.09660	1.4
247.08525	6.2
251.09415	6.3
253.11118	1.5
255.09073	9.4
257.10614	6.1
257.18976	2.1
259.12183	9.9
259.19913	1.3
269.10605	51.4
271.12036	1.9
273.10092	7.7
275.20016	5.6
279.09146	3.4
280.09686	2.5
285.10117	1.6
287.11661	32.9
292.12140	2.2
293.21085	1.6
297.10110	4.4
298.10861	3.3
315.11148	4.6
331.15744	10.4
349.16739	30.2
349.23416	1.8
367.17862	100.0
367.21405	31.3
368.18182	4.0
372.18604	1.6
385.14346	2.7
385.18961	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68595	1.3
55.01874	4.2
55.05507	4.7
56.05026	2.0
57.03425	6.5
58.06575	1.4
60.04525	4.9
62.02458	1.6
67.05489	4.6
68.05052	1.6
68.25312	1.3
69.03433	15.0
69.07075	2.8
70.06593	22.9
70.37162	1.2
70.84456	3.3
71.01358	2.1
71.04992	6.2
72.08155	9.2
72.95586	1.4
77.61028	1.6
79.05492	4.5
81.03401	9.5
81.07047	4.5
84.04510	3.8
84.08142	9.6
86.09702	16.2
87.05577	2.1
87.10046	4.3
91.05493	8.3
93.07040	2.7
94.06567	1.7
95.04983	2.2
95.08616	2.1
97.02886	3.1
99.04439	7.4
103.33311	1.2
104.10748	2.0
105.07035	4.1
106.06562	1.5
107.04969	8.9
107.08603	3.1
108.08112	1.9
109.06516	1.4
109.81530	1.2
110.07179	3.9
112.07581	1.3
116.07088	2.0
117.05515	4.5
118.06527	4.4
119.08578	2.1
120.08115	9.9
121.04037	1.6
121.08426	2.8
122.09698	4.2
128.10765	1.6
129.06982	2.3
129.10220	4.5
130.06502	1.9
131.04897	1.9
131.08574	2.8
133.06512	1.9
133.10161	1.7
134.09613	2.8
135.06560	5.0
135.11693	1.5
137.05907	1.4
139.05034	2.4
145.06451	4.2
145.07613	12.3
145.10071	1.6
146.05975	1.4
147.09149	8.3
157.06447	1.9
158.09326	1.6
159.08038	6.2
159.09210	16.3
166.08745	1.5
169.06471	3.4
173.12852	8.3
174.13260	7.5
175.08636	3.3
184.07436	1.6
185.10809	5.0
187.08678	3.9
190.09743	53.7
191.08153	100.0
197.10732	4.2
199.12416	2.1
202.12662	2.1
208.11568	2.5
213.10321	2.8
215.11812	3.8
225.10225	4.5
227.11963	1.6
231.15855	2.7
232.16898	1.8
233.09424	1.6
241.41969	1.5
243.11342	3.5
263.13882	3.1
271.10764	5.0
289.11850	12.2
293.19400	4.9
306.14487	37.2
307.12982	3.4
324.15497	13.8
324.21573	2.2
349.21494	1.6
350.23325	2.2
367.16238	36.5
367.22955	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	367.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90901	0.7
55.05301	0.7
55.05513	7.1
56.96566	54.1
57.03427	2.1
57.07061	0.8
64.37518	0.6
66.65424	0.7
67.05512	5.7
67.11620	0.7
69.07067	4.4
70.75200	1.9
71.95260	4.2
72.96051	1.4
74.41821	0.8
74.97612	2.8
79.05502	4.4
81.07072	4.9
83.08620	1.9
84.96012	1.3
85.06574	0.7
91.05463	4.5
92.98637	1.3
93.07043	3.9
95.04974	1.4
95.08604	3.2
97.06507	1.2
97.10176	0.8
97.96843	2.2
98.97591	1.1
99.08091	0.9
105.00153	1.4
105.07024	3.3
107.04969	1.0
107.08601	2.4
109.06511	1.2
109.10130	1.7
110.97570	2.0
115.97799	1.6
116.98603	0.9
117.07042	1.2
119.08559	2.7
120.43571	0.9
121.06471	0.8
121.10154	1.8
123.01197	4.1
125.09619	1.9
128.98621	3.9
131.00105	1.0
131.08566	2.0
133.01735	1.1
133.10127	1.9
133.98882	1.1
134.16920	0.7
135.11678	1.0
137.02762	2.0
141.02254	3.2
143.08548	0.9
145.01701	1.1
145.10120	1.5
146.99672	3.8
147.11635	1.6
149.01286	0.8
149.09644	1.5
151.00659	1.7
153.02287	1.6
155.03801	2.8
157.01730	2.5
159.03252	1.8
159.11716	1.4
165.02260	1.2
167.03851	1.9
169.01727	3.4
169.05383	1.1
171.03235	5.5
173.04857	1.2
173.13297	0.9
175.02798	1.8
176.65875	0.7
179.03802	1.3
181.05330	4.5
183.03259	3.6
184.00484	0.8
185.04832	3.8
185.13339	1.1
187.02733	3.9
187.06412	1.0
189.04349	3.9
191.03915	0.8
191.05896	1.1
193.05292	0.8
197.00993	0.8
197.04848	10.0
199.06419	3.4
201.04337	15.5
203.04066	0.8
203.05885	3.2
204.06718	0.9
205.03810	1.1
205.07402	1.6
207.06956	1.3
209.04893	1.9
209.08568	1.2
211.06432	4.7
213.04332	1.5
213.07919	1.0
215.05949	11.0
216.06702	1.4
217.05365	6.4
217.07487	9.4
219.05339	10.0
219.07066	1.1
219.17343	2.1
221.04973	1.0
221.08591	1.8
222.07770	0.8
223.06393	2.1
223.08315	0.9
225.08023	2.8
227.05875	2.8
227.09518	1.3
229.07411	4.6
231.06990	1.8
235.06403	6.7
237.04381	1.1
237.08008	17.1
238.08160	1.0
239.06009	1.0
239.09566	12.2
241.07556	3.2
243.08968	1.5
245.10548	1.2
247.06438	3.3
249.07982	12.8
251.09566	1.0
253.07491	6.8
255.09076	20.9
257.10635	6.1
257.18912	1.0
260.09610	1.3
262.11111	1.2
265.07407	2.3
265.11197	0.9
267.09045	23.6
268.09464	1.4
271.08493	3.5
273.10089	3.5
275.20172	3.9
278.10690	1.5
285.10077	8.2
290.10513	1.1
293.20969	2.0
319.15839	1.0
331.15793	8.1
349.16843	13.0
349.23315	1.1
367.17902	71.0
368.18375	3.0
372.18027	1.2
385.18964	100.0
386.19513	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	367.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.05506	3.5
55.93518	5.1
56.94304	3.7
56.96545	0.9
57.03422	1.6
57.07063	1.9
61.69131	0.6
64.04323	0.6
64.75813	0.6
65.03935	1.3
67.05499	23.1
68.05824	0.6
68.94295	0.7
69.03408	1.0
69.06751	0.8
69.07058	6.9
69.86420	2.5
69.86829	1.2
70.95858	6.8
71.92988	2.1
72.93389	1.4
72.93777	17.5
74.95342	0.6
79.05475	6.6
81.03394	2.0
81.07041	8.7
83.04956	1.1
83.08633	1.5
88.96884	4.4
89.94048	0.8
90.94814	14.1
91.05460	7.0
93.07034	5.4
95.04967	1.5
95.08597	6.4
100.96893	1.1
102.94792	1.4
104.96379	0.8
105.07025	4.3
106.97906	0.7
107.04933	1.6
107.08568	2.6
108.22307	0.7
108.95840	4.0
109.06485	1.3
109.10117	2.6
113.96383	1.9
115.07571	0.9
116.96342	2.6
117.07030	1.8
119.08570	2.2
121.06480	0.8
121.10128	1.4
122.97485	0.9
123.11658	0.8
126.98398	1.9
128.96342	4.4
130.97881	2.4
131.08536	1.9
131.97411	0.9
131.98668	0.7
132.95828	2.8
133.10120	1.4
134.97394	3.6
134.98888	1.1
136.08684	0.7
136.95302	1.4
138.98393	2.2
140.98450	1.1
140.99953	1.0
142.97897	2.4
143.00752	1.0
143.08560	1.2
144.95830	1.5
144.99484	3.1
145.06442	1.1
145.10114	1.8
146.97392	4.4
148.98944	4.2
149.00290	0.7
149.09622	1.0
150.96904	3.5
150.98123	0.7
151.02002	3.6
151.97638	1.2
152.99889	1.0
154.97884	2.7
156.99478	2.0
157.02129	0.7
158.97311	1.5
159.01041	1.3
160.98915	2.2
162.96880	2.3
164.98581	0.9
164.99899	3.1
165.03651	2.4
166.97876	1.5
166.99963	0.9
168.99460	2.3
170.97427	1.4
171.00909	1.5
172.98959	4.7
174.99019	0.8
175.00488	1.4
178.97916	2.9
179.01547	1.1
180.99435	1.5
183.01001	2.4
183.98181	0.8
184.98936	2.2
185.02628	1.0
187.00507	2.7
189.00536	1.3
189.03612	1.4
190.99976	0.9
192.99420	2.8
193.03061	1.0
194.42517	0.7
195.01181	1.1
196.98946	1.2
197.02588	1.0
199.00519	1.5
199.04106	0.9
199.06967	2.8
201.02055	5.9
207.01111	1.1
209.02617	1.1
211.04092	1.1
213.02074	2.3
213.03801	1.1
215.03461	1.3
215.05334	1.1
220.98949	0.8
225.03775	0.7
229.05193	2.2
237.01958	0.9
239.03575	2.9
241.04967	0.9
245.04686	2.8
255.06818	2.3
257.04581	5.4
257.08313	8.2
259.06274	4.9
271.06287	2.2
273.07788	1.5
275.05734	65.3
275.20035	2.0
276.05902	1.0
279.08365	3.6
280.09903	1.3
281.10028	3.3
283.11493	2.0
285.07822	1.6
297.07907	2.5
298.07327	7.1
299.09329	1.2
311.09357	0.9
315.08847	5.5
319.13501	0.9
327.10611	0.8
329.11990	4.9
331.13477	4.7
339.78802	0.7
347.13120	2.1
349.14554	68.0
350.14941	1.5
367.15628	100.0
367.23090	2.6
368.15921	2.6
390.17154	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51059	1.1
56.96555	3.1
57.03429	1.1
61.02896	1.2
69.03414	3.2
70.06582	12.3
70.79099	1.2
71.06969	1.1
71.58877	1.4
71.59252	1.2
73.02909	1.3
81.03425	1.5
84.04450	1.2
84.08134	4.6
85.02900	13.9
86.06061	1.3
95.04967	1.3
97.02882	3.1
98.06056	1.5
99.04445	1.7
103.03929	2.7
107.04943	8.8
109.02836	1.3
110.07174	1.5
116.07047	1.8
116.98456	1.6
117.05737	1.5
118.06533	19.5
119.04983	1.5
120.08136	1.4
127.03862	1.5
127.08665	3.2
129.07091	1.2
130.06512	6.8
132.04443	2.6
132.08081	6.8
142.06494	1.4
143.07303	4.7
144.08070	14.4
145.07578	2.3
146.05998	57.8
147.04430	1.6
154.01535	1.1
155.08159	2.6
156.08067	10.3
158.09595	2.1
159.09175	3.0
160.07582	4.0
163.03937	2.8
165.00658	1.2
165.06935	2.0
168.08032	4.3
170.06061	6.8
171.09190	1.4
172.07613	1.6
178.04996	25.2
180.08005	1.2
182.05998	1.9
184.07552	5.1
188.07050	100.0
202.08650	4.5
205.09721	34.2
206.04482	34.9
206.06442	1.8
217.09830	1.4
224.96931	1.4
229.09767	3.7
230.08086	26.9
238.52530	1.3
247.10764	8.6
258.11273	3.1
276.12204	1.9
307.04675	3.0
331.12909	4.6
332.11206	5.0
349.14096	1.5
350.12311	12.1
358.61270	1.2
367.10110	4.5
367.15128	4.4
383.56543	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
54.36600	0.7
55.01868	2.4
55.05297	0.6
55.05513	6.6
55.48158	0.6
56.96567	1.1
57.03441	6.3
57.07056	1.1
65.03934	1.2
67.05178	1.1
67.05511	15.6
69.03414	1.6
69.07067	7.6
69.34645	6.7
70.06586	3.0
71.04984	1.6
71.08648	1.0
72.08149	1.5
77.00903	1.1
79.05495	14.8
81.03427	2.5
81.07056	22.6
81.60550	0.7
83.04983	1.9
83.08614	3.3
84.04527	0.8
84.08148	2.2
85.06549	1.4
86.09692	1.6
91.04964	1.3
91.05486	13.6
91.06029	1.3
93.07042	11.3
95.02010	0.8
95.04968	6.6
95.08604	10.7
97.06544	3.2
97.10204	1.5
99.08127	1.4
103.05463	7.6
105.07042	12.7
107.04958	100.0
107.08580	7.1
108.05322	1.7
109.06506	3.8
109.10155	4.2
110.07195	0.9
111.08071	1.8
115.05457	2.7
117.07018	4.6
119.04939	3.4
119.08607	8.1
120.08116	1.1
121.02858	1.0
121.06517	3.0
121.10120	5.4
123.08099	2.2
123.11684	1.9
125.09634	1.5
127.07513	0.8
128.06276	1.0
129.07001	3.3
129.10150	0.7
131.04929	34.9
131.08574	8.5
132.05717	3.1
133.06567	1.3
133.10136	7.3
135.08083	1.4
135.11700	2.4
136.06189	9.7
137.04581	6.0
137.05780	1.3
137.06560	2.8
137.09636	1.3
141.06960	4.3
143.08565	2.2
145.06508	4.0
145.10123	5.9
147.11681	6.0
147.55946	0.8
149.09613	3.0
149.13223	1.3
151.11177	0.8
153.07071	0.9
157.06534	2.5
157.10168	1.4
159.08043	2.0
159.11713	3.5
160.11795	0.7
161.09669	1.1
161.13295	1.7
163.11198	1.7
165.12828	0.8
169.06483	12.3
169.09999	0.8
170.07236	1.8
171.08034	1.6
171.11754	1.6
173.09610	0.9
173.13301	1.4
177.12741	1.6
179.08591	1.4
184.07402	0.8
187.07590	1.7
187.11113	0.7
187.14857	0.9
191.08549	1.6
194.07220	0.9
199.07381	0.8
202.07800	4.6
204.08559	0.9
205.06548	1.2
205.09059	0.9
207.08113	1.9
213.09221	2.2
215.08566	2.4
216.09331	1.0
217.10199	2.4
218.81851	0.7
219.08018	3.2
219.17465	1.0
220.08803	6.6
221.09599	0.8
226.07639	1.7
227.05997	1.3
231.08076	2.3
231.10492	1.4
233.09816	1.3
233.19128	0.9
235.07530	1.1
235.11172	7.6
239.18007	1.7
244.08784	1.3
245.09668	5.9
246.10420	1.9
247.07605	2.8
247.11372	1.2
247.20445	1.4
248.08226	4.8
257.18982	4.1
261.09079	2.2
263.10663	22.6
264.10962	1.6
273.09036	1.7
275.10577	1.1
275.20053	14.7
277.08759	0.9
291.10049	1.3
307.11154	2.1
309.15262	1.3
312.55692	0.9
331.17603	1.8
349.10815	1.7
349.14737	1.2
349.19598	2.9
349.23788	5.0
350.23309	2.8
367.15411	14.8
367.20999	22.8
367.25021	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	367.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.4
56.05030	3.1
62.98626	0.3
65.03938	3.2
67.04211	0.3
68.99802	0.3
69.03401	0.4
70.06577	1.3
70.38604	0.6
70.38992	0.8
72.08141	0.6
72.60245	0.3
73.01134	1.4
79.05460	0.4
81.07001	0.4
81.11326	0.3
83.06102	0.5
84.04501	12.3
84.08143	0.4
85.02899	0.5
86.09683	0.4
87.04478	0.5
90.03776	11.7
91.05424	0.3
95.04974	0.5
97.02841	0.3
98.14778	0.3
102.05533	0.4
105.07005	0.4
107.04974	1.7
108.08170	0.4
110.06034	4.3
111.04434	4.0
118.03239	11.8
121.02863	100.0
122.03188	0.6
122.06055	0.6
123.04441	0.4
123.79357	0.3
128.05267	0.6
129.06583	0.7
129.10323	0.3
130.04999	9.4
131.00027	0.3
137.04654	0.4
138.05498	1.3
147.04424	1.0
149.09578	0.5
155.06404	0.7
156.04771	18.3
175.03937	1.2
183.05858	1.6
184.04268	16.9
187.11214	0.4
201.06996	1.6
229.06406	11.6
230.04810	2.4
237.02730	0.4
247.07475	24.7
248.07915	0.4
250.07127	1.0
285.89478	0.3
298.83578	0.3
307.06393	0.4
349.04483	0.4
349.08649	1.1
367.09625	1.4
367.18188	0.6
369.78860	0.4
390.50885	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41144	0.4
53.03938	1.3
55.01871	1.0
55.05486	0.9
57.03446	0.5
57.07053	0.5
67.05492	1.7
70.84593	1.2
70.84918	0.5
79.05489	2.9
81.07060	1.4
83.08608	0.7
91.05482	2.5
91.72331	0.5
93.07047	1.3
95.04970	2.8
95.08625	0.7
97.06504	0.5
103.05460	6.1
105.07030	1.0
107.04952	100.0
107.08571	1.2
108.05284	1.7
109.10133	0.9
115.05465	1.4
117.07035	1.1
119.04937	2.0
119.08666	0.5
121.10125	0.6
125.09587	0.6
126.36424	0.6
128.06218	0.5
129.07010	0.9
130.24849	0.5
131.04924	35.8
131.08546	1.0
132.05698	2.3
133.06544	0.7
133.10039	0.7
141.06972	3.9
145.06490	3.5
147.04364	0.7
157.06525	1.0
160.43510	0.5
165.06996	0.7
169.06483	11.3
170.07300	1.2
171.08057	0.7
178.07829	0.8
179.08554	0.8
184.07257	0.8
189.07004	0.9
191.08505	1.1
192.09343	1.6
194.07326	1.0
202.07776	5.1
203.08559	1.0
205.06407	0.8
206.07178	0.7
207.08083	2.6
207.11838	1.0
215.08559	1.9
216.09348	1.1
217.10104	1.8
218.07336	0.8
219.08101	3.2
219.17299	0.6
220.08852	6.2
221.09666	0.6
226.07785	1.1
227.08546	0.8
231.08066	1.8
233.09618	0.9
234.06802	0.7
235.07617	0.9
235.11143	8.1
244.08752	1.2
245.09595	5.3
246.10451	2.3
247.07518	3.5
248.08344	5.5
257.19070	0.6
262.00305	0.5
262.09918	0.7
263.10666	26.1
264.11108	1.1
275.20059	1.4
349.19617	0.5
360.39020	0.5
367.16388	0.8
367.20889	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	367.0208
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44521	0.3
69.44932	0.9
70.13440	0.2
70.24454	0.1
82.99905	0.3
86.68540	0.2
97.02868	0.4
101.00862	0.4
110.35334	0.2
119.01913	6.8
120.01982	0.2
121.01685	0.2
122.97840	0.2
134.99846	0.3
137.02953	5.8
138.03021	0.2
140.98830	0.2
142.03552	0.2
153.00929	1.0
158.99896	0.6
165.99646	0.2
169.59637	0.2
177.00946	20.6
178.01053	1.6
179.00710	0.8
182.99843	0.7
193.04083	0.3
195.02020	0.5
200.02530	0.4
201.00935	0.9
216.39299	0.2
217.04079	3.3
218.03926	0.3
219.02002	26.7
220.02133	1.7
221.01747	0.8
222.02043	0.2
225.00797	2.1
232.95012	0.2
234.99974	0.4
236.00012	0.5
236.99780	0.5
242.03534	0.7
242.99442	0.3
243.01965	4.7
244.02304	0.2
253.01031	0.2
254.01201	0.2
255.00812	0.2
256.95175	0.5
259.00018	0.6
260.00110	0.7
260.04660	0.2
261.03052	100.0
262.00061	0.4
262.03149	6.0
262.99927	0.3
263.02902	2.3
264.03082	0.3
266.03607	0.5
274.96335	0.2
275.04514	0.2
277.00937	1.4
278.01129	0.9
279.00882	1.5
280.00967	0.5
281.00592	0.3
282.99918	0.9
284.00067	1.0
284.04645	6.9
284.99832	0.7
285.04797	0.5
285.99719	0.2
286.04532	0.2
286.99475	0.3
301.01019	3.0
302.01123	2.5
303.00851	1.9
304.01135	0.4
305.00681	1.2
307.06137	0.3
319.02173	0.3
320.02322	0.3
321.01825	0.2
322.01883	0.2
323.01755	0.2
324.94003	0.4
325.01108	0.3
326.01785	0.2
342.95432	1.0
343.02393	1.0
343.95197	0.2
344.02188	1.0
345.02036	0.2
354.93585	0.2
356.93457	0.5
361.03656	0.2
361.46240	0.2
361.95883	0.2
362.03134	0.3
362.46426	0.2
367.02151	0.5
372.96558	0.2
373.94443	0.2
374.94800	0.3
385.03214	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	366.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.05267	2.1
55.05513	27.1
57.07076	3.4
60.08148	3.2
60.08441	1.2
65.03947	2.3
67.05505	66.0
69.06683	1.7
69.07068	29.3
70.20260	5.8
70.38670	1.1
70.70793	1.2
71.04995	2.7
73.02898	2.7
74.39930	1.2
79.05493	12.9
81.07054	63.6
83.08623	12.8
84.42587	1.0
85.06532	1.6
91.05482	6.1
93.07043	10.5
95.08604	41.0
97.06544	2.0
97.10169	3.3
99.04449	2.1
105.07022	3.0
107.08572	6.6
109.06438	1.4
109.10155	13.9
110.74537	1.2
119.08582	3.0
121.10154	4.6
123.08124	2.2
123.11716	4.0
133.10109	1.7
135.11749	1.8
137.13220	2.6
145.05859	1.4
147.11636	1.2
163.14761	1.6
289.75174	1.2
301.80276	1.2
307.26300	100.0
308.26587	4.0
310.17828	1.4
354.55362	1.4
366.33679	77.7
367.33978	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	366.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.4
53.03938	1.3
55.01876	0.7
55.05495	1.1
56.05029	0.4
57.03447	0.5
59.04999	0.8
63.03480	0.3
67.05502	2.2
67.80701	0.3
67.94491	0.3
69.03415	0.4
69.07053	0.8
70.06584	1.0
70.64545	0.4
70.64909	1.1
71.04986	1.0
72.08144	0.7
77.03920	0.4
79.05494	2.5
81.03419	1.1
81.07050	2.9
81.22823	0.3
82.06562	0.5
82.19584	0.3
83.04994	0.4
83.08592	0.4
84.04517	0.6
84.08149	0.9
85.02897	0.5
86.09692	0.5
89.97324	0.3
91.05479	5.4
92.05008	1.2
93.07036	6.5
93.76141	0.3
94.06563	8.2
95.04972	3.5
95.08604	1.4
97.06523	2.0
97.10162	0.7
103.05467	3.4
105.04507	0.6
105.07021	1.0
106.06528	0.3
106.26535	0.3
107.04949	100.0
108.05259	1.8
109.06552	0.4
109.10133	0.5
118.06543	3.1
119.04930	0.8
119.08559	0.6
120.08096	0.7
121.06499	49.6
121.10110	0.7
130.06531	0.4
131.08575	0.4
132.08105	0.6
132.95811	0.4
134.09636	0.3
135.11653	0.4
135.52785	0.3
136.06409	0.6
136.07574	4.4
137.04593	0.7
137.05956	0.6
138.09174	0.5
147.11667	0.7
148.07585	0.4
150.96867	0.5
154.08626	12.9
158.97356	0.5
162.09132	3.5
163.09924	0.8
166.08672	0.3
166.12326	0.5
176.10730	0.4
176.98433	0.4
180.13814	0.5
182.15421	1.1
184.13367	1.5
192.10170	0.9
195.13806	0.7
198.14917	0.6
200.10712	0.4
202.12311	0.6
202.14236	0.7
210.14888	2.8
211.13361	0.5
228.13748	1.6
228.15991	1.7
230.15388	5.1
242.11810	0.5
260.12823	19.9
261.13217	1.0
292.19040	3.0
302.17468	0.7
304.19067	2.5
322.20148	4.8
323.20062	0.3
330.20685	1.3
348.21686	36.5
349.22037	1.2
358.48355	0.3
366.17169	3.3
366.22751	25.1
367.15295	0.5
367.22849	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.4
53.03936	1.3
55.01859	0.6
55.05493	0.9
56.05022	0.5
57.03418	0.6
67.05481	1.0
69.03422	0.6
69.07053	0.6
70.06583	3.4
70.95625	0.5
70.95969	0.8
71.04980	0.7
72.04496	0.6
72.08150	3.5
74.00626	0.3
79.05474	1.1
80.05013	0.4
81.03427	0.4
81.07036	1.4
82.06571	0.6
83.08641	0.3
84.04502	1.1
84.08145	3.4
85.02891	0.4
86.06059	0.4
86.09681	1.6
90.54718	0.3
91.05469	6.9
92.04996	1.0
93.07034	10.6
94.06522	0.8
95.04974	3.3
95.06082	1.1
95.08605	0.8
97.02875	0.4
97.06511	1.0
98.06053	0.4
102.05479	0.4
103.05453	6.5
105.04465	0.8
105.07005	1.3
106.06550	0.7
107.04938	5.0
108.08086	1.3
109.10090	0.4
110.07180	0.4
110.09672	0.9
117.05759	0.4
117.07060	0.4
118.06524	3.3
119.07279	0.6
119.08521	0.3
120.08090	1.3
121.06492	100.0
122.06830	0.7
128.06175	0.6
129.10320	0.3
131.08488	0.5
132.01138	0.4
132.08078	1.1
136.05168	0.4
136.06177	6.0
136.07545	0.8
137.04559	0.7
140.43655	0.3
141.13893	0.3
143.08556	0.5
145.10081	0.7
150.07828	0.6
154.08603	0.5
158.08150	0.3
161.10797	0.4
162.09123	3.5
166.12263	1.5
171.08061	0.8
172.09711	0.5
176.10678	0.7
184.13303	4.0
196.03969	0.4
201.08960	0.6
202.14325	4.1
202.15924	0.5
210.14911	0.7
211.13445	0.5
217.10732	0.3
228.15807	0.6
230.15347	4.6
236.16318	0.5
248.16397	0.3
260.12952	0.5
260.16208	0.6
262.18094	0.6
266.17404	0.4
277.19083	2.1
292.19046	2.5
294.72797	0.4
304.18588	1.1
322.20096	40.6
323.20563	1.1
343.17993	0.3
348.21664	11.2
348.26425	4.5
366.22760	32.7
366.26871	1.3
367.23056	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68439	0.9
55.01861	2.0
55.05510	3.2
56.05043	1.7
56.05835	1.9
57.03432	3.5
58.00835	1.1
58.06581	1.0
60.04525	22.5
67.05499	3.5
68.21937	1.0
69.03433	4.9
69.07059	1.7
70.06592	22.4
71.01334	1.3
71.04991	1.7
71.59052	1.4
72.04474	1.4
72.08150	6.1
79.05484	3.0
81.03405	3.1
81.07048	4.8
82.06578	1.3
83.04980	1.1
83.08614	1.2
84.04511	3.7
84.08131	8.8
86.09706	76.8
87.05591	16.8
88.03982	2.4
91.05476	5.3
92.05822	1.1
93.07059	1.9
94.06571	1.1
95.04980	2.1
95.08581	1.8
97.02915	1.4
97.10174	1.1
99.04479	1.1
103.05463	3.4
105.07011	3.3
107.04957	7.1
107.08617	2.2
110.07161	5.8
110.09692	1.3
115.05511	1.9
116.07103	1.4
118.06538	3.6
120.08113	49.0
121.08388	1.5
122.09749	1.1
128.10728	10.5
129.06944	1.3
129.10214	3.4
131.04942	1.9
131.08559	1.2
132.10196	1.8
133.06509	2.0
133.10130	1.4
134.09705	1.3
135.06525	1.6
135.08052	1.6
136.07564	2.5
137.04620	1.7
144.08076	2.0
145.06523	2.1
145.07645	3.7
147.09196	2.5
159.08049	1.6
159.09212	3.8
162.05463	1.1
162.09145	4.6
166.08659	12.2
169.06482	4.1
171.07916	1.0
173.12863	100.0
174.13197	2.2
187.07451	1.9
189.11197	1.4
190.09776	13.5
191.08183	25.2
194.15485	1.8
199.18423	1.1
201.12355	20.0
207.07700	3.3
207.11313	9.3
219.13345	1.5
230.15440	4.6
235.10718	2.1
260.13043	1.2
271.10797	1.9
274.18729	1.7
279.17056	1.7
289.11923	2.4
292.18921	7.4
306.14490	10.6
307.12698	1.2
318.15814	1.3
324.15640	3.8
348.26624	1.2
366.18890	1.3
366.22827	17.0
367.16785	8.7
367.22986	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	366.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10961	1.2
53.03936	5.5
53.99652	1.1
55.01879	8.5
55.05501	4.7
57.03438	6.3
61.02929	6.7
68.99773	2.5
69.03074	2.2
69.03426	34.1
69.38027	12.8
70.06593	2.0
71.04990	4.2
72.08153	1.7
73.02901	5.6
79.05481	1.5
81.03414	23.7
81.07025	1.9
83.08590	3.0
85.02902	100.0
87.00829	39.1
91.03959	1.6
91.05475	2.4
93.07024	2.2
95.08620	2.6
97.02891	32.4
99.04440	13.0
101.53327	1.2
105.01863	64.6
107.04945	13.0
108.04465	3.4
109.02875	29.9
111.08051	2.8
115.03908	1.8
117.01852	2.3
121.06484	3.6
123.08086	1.4
126.05502	1.4
127.03914	70.5
129.01797	2.9
129.52281	1.2
135.08023	1.7
136.05139	2.0
136.06177	36.8
141.09138	1.8
145.04955	37.1
147.02925	2.7
147.04366	1.2
151.07512	1.7
154.08746	1.7
155.20003	1.2
159.02887	14.4
163.11308	1.3
171.02917	1.4
189.03891	2.6
209.11745	5.1
213.03926	1.9
231.05017	21.7
249.06024	4.6
260.12759	1.9
295.11792	3.8
321.07047	1.5
331.09680	1.7
348.20541	4.0
348.26373	1.5
366.21259	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	366.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.6
55.01862	9.6
55.05504	21.0
57.03432	8.5
61.02911	6.3
67.05481	5.1
68.99808	2.1
69.03420	39.0
69.07066	1.7
70.06586	5.4
71.04987	4.7
71.60163	2.2
72.08125	3.1
73.02901	5.5
76.56281	1.4
79.05489	3.8
81.03411	23.1
81.07052	4.7
83.08609	12.6
83.95052	1.6
84.08100	2.1
85.02894	100.0
86.09685	1.9
87.00818	40.7
87.04473	2.2
91.03934	2.5
91.05470	7.4
93.07022	8.0
95.04960	2.5
95.06073	3.3
95.08606	3.8
97.02883	40.8
97.06519	1.5
99.04465	12.6
103.05448	3.0
105.01855	68.5
105.06975	3.8
107.04939	15.5
107.08577	3.1
108.04486	2.1
108.05244	1.6
109.02867	23.1
112.23602	1.7
115.03912	1.8
117.01818	2.2
117.06960	2.3
119.03544	1.8
120.08071	2.6
121.06497	29.7
122.06049	1.9
123.02871	1.6
123.08060	2.4
126.05529	2.0
127.02951	3.2
127.03899	65.5
128.04218	3.5
129.01834	3.3
129.10312	1.6
131.08600	2.4
136.06174	93.3
137.04562	3.3
137.05960	1.8
145.04947	35.9
147.02867	1.9
155.07069	2.1
159.02881	12.1
168.13873	2.3
189.03967	3.9
191.10684	1.9
204.06514	1.7
213.03825	3.0
215.44510	1.5
228.13777	2.0
231.04956	16.1
248.07825	2.2
249.05977	4.4
306.20590	3.4
333.18448	1.6
348.20087	9.2
348.26178	2.1
365.81009	1.6
366.21832	29.3
366.72153	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	366.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12786	0.2
53.03926	0.3
55.01854	0.4
55.05499	0.8
56.96551	0.9
57.03418	0.7
57.07064	1.9
58.32528	0.2
61.02902	0.6
65.03938	3.1
67.05498	1.9
67.18349	0.2
68.95770	0.2
69.03416	0.6
69.07063	6.6
70.03354	1.1
70.04057	0.7
70.06576	0.2
70.07808	0.2
71.04961	0.2
73.02914	0.3
79.05476	1.2
81.07066	1.1
83.04895	0.6
84.08160	0.2
85.02896	0.7
85.06516	0.2
91.03935	0.2
91.05466	1.0
92.05807	0.3
93.07028	0.9
95.04420	0.2
95.04937	1.2
95.08611	0.6
97.02895	0.5
98.20709	0.3
98.97590	0.2
99.00001	0.2
104.03488	0.3
105.07024	0.5
107.04948	13.4
107.08588	0.6
109.06506	0.4
109.10153	0.2
110.03526	0.3
111.04423	3.2
112.04633	0.3
113.06036	0.6
115.07546	0.4
119.08573	0.5
121.02858	100.0
122.03179	0.6
122.09653	0.4
123.08043	0.2
126.99425	0.8
129.01028	0.7
133.10094	0.2
134.99684	0.3
135.08070	0.2
135.11649	0.2
140.10693	6.6
141.01047	0.7
145.10074	0.3
151.04507	0.3
154.78876	0.2
155.02551	0.3
155.06845	0.3
158.06677	0.4
161.03029	0.3
175.04640	0.3
181.99442	0.4
190.94891	0.3
197.07307	2.9
198.92865	0.3
216.96419	0.5
222.02359	0.3
223.02757	0.5
240.03458	2.9
241.03772	4.0
243.09038	0.4
246.14880	7.4
259.08444	0.3
260.12796	7.8
272.12848	0.8
274.18774	0.5
285.10159	0.6
292.19974	0.3
297.09866	0.3
323.02347	0.3
348.15750	0.5
349.16156	0.3
349.24036	0.3
366.04471	0.6
366.12131	2.3
366.16919	6.2
366.22833	0.6
367.17978	0.8
372.52255	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0366
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48692	0.6
52.11485	0.6
69.94325	3.8
92.94020	0.6
119.01909	7.1
119.62907	0.5
134.99692	0.9
137.02956	7.7
153.00909	0.9
159.29247	0.6
162.47144	0.6
177.00940	27.1
178.00938	1.6
179.00632	3.0
180.83881	0.6
182.99821	0.6
193.04099	0.8
195.01833	0.7
200.02574	0.9
216.98804	1.2
217.04022	2.3
218.03596	1.2
219.01979	36.4
220.02107	2.0
221.01721	4.4
225.00972	1.4
231.95601	1.4
232.95105	1.0
234.99959	7.9
236.00111	2.1
236.99835	2.4
240.98915	1.3
242.03625	2.4
243.01939	5.2
252.97325	0.7
253.01028	3.5
254.01184	1.7
255.00824	1.4
255.95427	2.1
259.00006	13.0
260.00021	2.8
260.04666	2.5
261.00046	6.2
261.03033	100.0
262.00085	1.4
262.03162	4.1
263.02838	6.4
264.03073	0.9
264.98959	1.5
277.01028	21.8
278.01169	5.3
279.00845	11.2
280.00861	3.6
281.00583	0.8
282.99948	23.0
283.06219	1.1
284.00073	2.6
284.04517	3.5
284.99686	2.1
285.99860	1.7
291.99716	1.0
301.01019	68.9
302.01102	8.4
303.00854	6.1
304.00940	5.6
305.00665	1.2
315.00958	1.1
319.02036	6.5
324.02045	2.2
324.08472	1.3
324.93967	1.0
325.00882	3.0
341.02518	1.2
341.95813	3.4
342.01913	16.1
342.95206	2.5
343.02057	25.0
344.02390	1.1
351.46204	0.8
351.95517	1.1
360.03036	2.3
360.46350	0.9
360.95975	1.5
361.03156	10.7
366.02481	3.1
383.96783	0.8
384.03186	6.5
385.03296	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	366.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.6
56.96542	1.8
57.03423	1.0
57.07064	0.7
58.80874	0.6
60.04515	0.6
67.05476	1.0
67.58385	0.7
69.03391	1.6
70.06577	3.4
71.06107	4.2
71.32483	1.2
72.04485	2.4
72.08119	0.7
73.02894	1.3
74.00276	0.7
74.00658	7.3
76.02226	4.7
77.00615	4.2
84.04474	2.4
84.08102	0.9
85.02871	2.5
85.06512	2.0
86.06059	20.9
88.03988	3.8
89.07111	0.7
89.51134	0.6
95.04948	1.6
95.06059	2.5
97.02862	1.1
98.06041	4.0
98.97577	1.8
99.05592	0.8
101.23492	0.6
102.03761	24.0
102.05598	0.7
107.04961	6.3
108.05339	0.6
110.07161	1.0
113.05978	1.9
114.03725	0.8
115.08699	6.8
116.98611	3.3
118.02413	1.0
118.03232	17.1
120.01155	67.4
121.01462	0.6
124.07565	1.1
126.05493	0.7
128.05283	1.5
128.98602	1.8
130.03215	8.3
130.08658	1.1
131.07127	0.7
134.99640	1.3
136.06136	2.7
139.03886	0.7
142.08629	5.7
144.04741	2.9
146.99596	3.3
147.05850	50.1
148.04248	13.8
156.04715	3.4
162.02142	2.2
163.03827	0.7
165.00670	0.8
165.06929	4.3
166.07248	0.8
168.95918	0.8
173.07434	11.7
183.47919	0.7
184.09669	2.5
189.00633	1.0
189.08823	0.8
191.04822	1.4
192.01752	1.4
192.14934	3.6
194.05203	1.2
204.06303	3.7
204.12283	1.5
205.01588	1.0
207.07999	1.7
210.02953	1.5
217.01561	1.8
218.01889	1.7
218.09456	0.8
219.01756	1.3
219.07961	7.0
234.10933	3.2
234.98932	1.0
236.10616	100.0
237.02847	1.0
237.10817	1.3
246.03040	1.2
246.09035	1.9
246.97713	0.7
259.11249	1.0
264.03934	1.2
297.64389	0.7
306.04855	0.7
307.04633	1.7
307.44330	0.6
326.09601	1.0
342.07401	0.7
348.15826	28.3
366.07617	1.1
366.11554	26.9
366.16263	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.28
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04821	1.5
55.01854	2.6
55.05516	20.1
56.05025	6.5
56.05834	1.9
56.55756	1.8
57.03420	4.3
57.07070	3.9
60.04514	5.2
65.03931	1.8
65.13648	1.6
67.05505	53.5
68.05010	6.5
69.07075	27.7
70.02939	3.3
70.06577	5.3
72.04524	2.4
73.02921	2.9
74.02435	2.0
75.79683	1.7
79.05499	25.5
80.05009	5.2
81.07063	52.9
82.06570	3.5
82.07377	2.0
83.08621	12.3
84.04488	3.8
84.08147	2.0
87.05600	21.2
88.03982	6.8
91.05486	16.5
93.07053	29.8
94.06548	3.4
95.04980	4.4
95.08615	42.9
96.08124	4.5
97.10169	6.8
98.09737	2.5
98.98448	2.2
99.00809	2.1
100.04013	4.2
102.05546	1.9
105.07037	12.3
107.04942	3.8
107.08593	12.5
108.04476	2.4
108.08111	2.8
109.06515	3.5
109.10157	14.4
110.06039	3.2
110.09657	4.6
111.11691	3.1
114.05489	5.3
117.07013	5.0
119.08569	8.3
121.10155	16.8
122.09653	2.2
123.11677	3.4
126.05536	3.4
128.03371	2.5
131.08594	4.7
133.10103	8.1
134.09685	2.1
135.08043	3.0
135.11697	10.8
136.11203	2.6
137.13173	2.5
140.07011	1.9
143.08572	1.9
145.10133	3.0
147.11673	6.3
148.11189	2.2
149.09531	1.7
149.13255	7.9
150.12799	1.8
151.14810	2.0
154.04930	4.5
154.08585	1.6
155.01012	3.4
159.11705	1.9
161.09668	1.9
161.13246	2.0
163.14819	2.3
168.10124	1.9
177.09772	1.6
187.14807	1.9
189.76334	1.6
217.15846	3.7
231.21115	4.4
233.22673	3.8
242.90442	1.8
250.25357	7.0
260.23737	13.0
262.25290	6.5
273.18484	6.5
276.26849	9.8
291.19531	2.0
302.24734	3.5
304.26120	2.1
306.24237	6.2
319.27405	11.6
320.25885	9.9
321.29141	2.9
347.21982	2.0
347.26132	2.1
348.25357	2.6
365.10687	3.6
365.23206	9.4
365.27939	100.0
366.28235	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	365.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.9
55.05515	23.7
56.05011	6.0
57.03407	3.6
57.07059	7.4
60.04504	6.3
65.03937	2.6
67.05505	58.4
68.05010	7.4
69.06722	2.8
69.07064	33.6
70.02931	3.3
70.06578	4.0
70.92833	1.8
71.08630	2.4
71.60059	2.6
73.02923	2.7
73.62756	1.7
74.02406	4.8
79.05495	27.8
80.05003	5.2
80.05805	3.2
81.07058	57.1
82.06572	3.8
83.08628	11.3
84.04485	5.2
84.08145	3.5
86.02421	3.6
86.09669	1.9
87.05586	26.2
88.03978	9.0
91.05477	15.8
93.07050	30.5
94.06551	3.5
95.04961	3.3
95.08604	49.1
96.08100	5.6
97.10144	6.7
98.98436	2.4
99.00772	3.7
100.03971	3.8
105.07015	11.1
105.23227	1.9
106.54044	1.6
107.04946	2.0
107.08601	17.0
108.04483	4.0
108.08076	2.3
108.19435	1.6
109.06496	5.4
109.10156	15.4
110.09650	2.7
114.05511	4.0
117.07002	4.1
119.08590	9.7
120.08097	2.1
121.10154	16.4
122.09695	2.4
123.11678	4.5
124.11256	2.7
126.05460	2.5
128.03410	4.0
128.07138	2.0
131.08534	4.5
133.10100	7.8
135.08020	6.4
135.11671	13.0
136.11172	2.1
137.13248	5.9
142.98727	1.8
145.10085	3.9
147.07942	2.2
147.11627	4.9
148.11183	4.2
149.13254	7.9
151.14793	2.8
154.04936	5.4
155.01042	4.3
159.11678	2.9
161.13271	2.8
163.14833	3.3
233.22565	3.5
250.25334	10.8
260.23749	14.4
262.25308	5.0
273.18423	7.3
276.26901	8.3
277.27185	1.9
280.34052	1.9
302.24734	4.1
306.24417	9.3
319.27521	14.8
320.25623	9.7
321.28873	3.0
348.25415	4.2
365.10410	2.8
365.23123	10.6
365.27908	100.0
366.28317	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	365.2681
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
51.37127	0.2
55.05510	1.2
57.03407	0.3
57.07067	3.0
60.04529	0.3
61.62705	0.2
67.05492	1.5
67.45061	0.2
68.27559	0.2
68.59818	0.2
69.03409	0.3
69.07061	1.8
69.79883	1.1
69.80299	0.4
76.88332	0.2
79.05486	1.4
81.07053	2.1
83.04944	0.3
83.08608	0.6
85.06528	0.8
91.05463	1.6
91.79223	0.2
92.31123	0.2
93.07032	2.2
95.04954	1.6
95.08583	1.7
97.06520	0.6
98.21487	0.2
105.07009	1.9
107.08581	1.4
109.06507	1.9
109.10166	1.0
111.08073	0.4
117.07037	0.7
119.08546	1.9
121.06494	0.5
121.10140	1.2
123.08054	3.7
124.08846	1.9
125.05974	0.3
125.09564	0.3
128.06155	0.3
129.06964	0.6
130.07846	0.3
131.08537	0.9
133.06532	0.3
133.10135	1.1
135.08040	1.1
135.11708	0.5
137.05980	0.4
137.09599	0.4
138.06755	0.2
142.07773	0.5
143.08528	1.5
145.10129	0.9
147.11665	0.4
149.09586	0.4
151.07524	4.0
151.11177	0.6
152.08308	6.9
152.23398	0.3
155.08537	0.7
156.09422	0.4
157.10107	2.1
159.07971	0.2
159.11705	1.1
161.09540	0.4
161.13235	0.4
165.09094	10.1
166.09808	0.8
169.10115	0.7
170.10867	0.4
171.11674	1.0
173.09697	0.2
173.13246	0.4
175.11165	0.3
177.12758	0.4
179.10626	2.1
181.10135	0.6
181.12193	0.4
182.10912	0.4
183.11656	0.7
185.13272	1.6
187.11182	0.7
187.14790	0.6
189.12643	0.3
191.10500	0.3
193.10202	0.4
193.12207	0.4
194.11006	0.4
194.13000	3.5
195.11717	0.6
197.13210	0.5
203.54338	0.3
205.15872	0.3
207.11742	0.5
207.13765	1.5
209.13266	0.5
211.14767	0.4
213.12749	0.5
217.16002	0.3
221.13303	0.5
221.15260	0.4
223.14845	0.5
235.14771	0.4
235.16930	0.6
247.14677	0.3
249.16335	0.5
249.18582	0.9
255.17496	0.2
263.20087	1.8
265.19269	0.3
277.21591	0.4
291.01965	0.4
291.19708	0.4
319.26270	1.1
324.10071	0.2
347.25842	17.4
348.26132	0.7
365.26859	100.0
366.07681	1.2
366.27219	4.6
367.44275	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2683
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
52.04644	0.3
55.01828	0.4
55.05450	1.7
57.03390	0.7
57.07010	2.0
57.07303	0.5
57.61106	0.3
67.05492	2.5
69.03394	0.4
69.07060	2.8
69.36425	3.0
71.04931	0.4
71.08582	0.7
75.20816	0.3
78.52272	0.3
79.05472	1.9
81.07048	3.4
82.32313	0.3
83.04913	0.4
83.08535	0.9
85.06538	1.7
89.96854	0.3
90.44359	0.3
91.05408	1.3
93.07034	2.0
95.04892	0.8
95.08595	2.7
97.06450	0.8
97.79883	0.3
98.20684	0.6
98.27778	0.3
99.08088	0.4
105.06952	1.2
107.04865	0.5
107.08595	2.3
109.06495	2.7
109.10078	1.3
109.10769	0.4
111.04359	1.0
111.08002	0.5
113.06010	1.6
117.06933	0.5
117.67410	0.3
119.08524	0.9
121.10068	0.9
123.08065	5.4
124.08857	0.6
125.05912	1.2
125.09597	0.6
129.06992	0.4
131.08521	0.7
133.10039	1.1
135.08028	1.7
135.11612	1.2
137.05888	1.4
137.09547	0.8
139.07361	0.5
145.10081	0.6
147.11613	0.5
149.09531	0.4
151.06433	0.3
151.07527	3.4
152.08311	3.5
153.08702	0.4
157.10023	0.4
159.11630	0.5
161.13155	0.6
163.11108	0.5
164.08316	0.5
165.09094	14.3
165.12675	0.6
166.09805	0.9
175.11139	0.7
177.09058	0.5
177.12637	0.6
178.09750	0.5
179.10712	2.0
179.14189	0.6
193.12164	1.3
195.13763	0.6
207.13737	0.6
208.14612	1.8
209.15323	0.4
219.13661	0.7
221.15326	2.2
235.16850	0.6
249.18387	0.7
263.20029	3.9
273.18387	0.8
291.19513	1.4
305.24741	4.8
319.26285	4.5
347.25772	48.1
348.26184	1.8
365.26834	100.0
366.27167	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23452	2.5
53.03936	3.6
53.45844	2.4
55.05497	15.3
57.07077	14.5
67.05499	32.0
69.03402	8.4
69.07062	39.7
70.07372	3.8
71.04967	5.0
71.59560	2.6
79.05486	27.0
81.07046	26.8
83.04974	5.1
83.08598	7.2
85.06506	6.5
86.06057	48.3
87.04463	5.3
87.06375	8.7
89.05985	3.4
91.05473	35.8
93.07038	35.6
95.04954	40.0
95.08597	36.6
97.06496	6.2
97.10138	4.1
103.05465	3.9
104.07090	12.8
105.07002	44.6
107.08582	28.6
109.06484	14.0
109.10139	19.9
115.05362	4.2
115.07500	2.9
117.06982	15.1
119.08559	53.2
121.06494	8.5
121.10098	17.6
123.08027	8.1
123.11662	2.6
124.08660	5.5
126.99416	3.0
128.06207	9.3
129.01022	2.7
129.07014	13.1
131.08563	22.9
133.10120	19.5
135.08051	14.5
135.11674	12.5
141.06931	2.9
142.07784	12.5
143.08540	29.8
144.09309	10.3
145.06448	4.3
145.10100	31.0
147.08028	8.5
147.11688	7.4
149.09567	5.1
153.06998	3.4
155.08501	12.7
155.10567	3.2
156.09335	13.1
157.10091	40.0
158.10869	3.8
159.08061	3.5
159.11678	28.1
161.09561	10.1
161.13237	5.0
165.06943	5.7
165.09152	3.6
167.08553	8.7
168.09309	8.4
169.10126	16.5
170.10829	6.7
171.11624	21.3
172.12497	3.1
173.09602	7.5
173.13214	8.8
175.11154	4.7
179.08549	7.4
180.09323	5.6
181.10069	15.7
182.10899	6.4
183.11662	24.9
184.12503	3.1
185.13260	28.1
187.11148	9.2
187.14751	10.9
189.12892	4.4
193.10092	16.7
193.12195	10.6
194.10809	8.4
195.11687	30.8
196.12447	7.5
197.07233	7.0
197.13208	19.3
198.07561	7.2
199.06978	3.9
203.14246	4.3
205.10106	3.6
205.15868	7.8
206.10931	6.2
207.11690	18.3
208.12404	11.5
209.13258	21.6
210.10422	3.0
211.14786	11.4
213.12735	12.9
219.11670	5.4
220.12415	7.8
221.13248	13.8
221.15115	3.3
222.13954	7.6
223.14896	18.5
225.16353	3.4
227.14314	6.2
233.13231	6.5
234.13962	4.2
235.14772	7.6
236.15559	3.5
237.16321	10.0
239.14293	4.1
241.15862	6.1
247.14777	4.9
248.15463	3.5
249.16463	13.4
250.17140	3.6
251.17900	9.1
255.17212	3.8
259.14719	3.1
261.16321	5.7
263.17850	10.5
265.16077	3.9
265.19360	7.1
267.17422	5.9
269.19092	3.9
277.00464	4.1
277.15717	3.0
281.18982	4.3
289.19406	4.6
291.16989	4.4
291.19757	5.0
299.17905	4.2
307.20621	4.8
309.18265	4.8
329.22665	5.0
337.25290	2.8
347.23398	27.4
365.10565	4.8
365.14520	5.5
365.24643	100.0
366.13861	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.9
53.32149	2.0
54.94968	2.0
55.01865	3.0
55.05512	14.4
57.03431	2.5
57.07071	15.8
59.04991	4.7
65.03928	3.4
67.05499	32.4
69.03414	8.1
69.07059	17.7
69.64259	3.2
69.64664	11.4
71.04973	2.9
74.57837	2.1
79.05486	24.3
81.03421	2.4
81.07048	24.8
83.04972	4.9
83.08591	7.6
85.06526	7.8
85.83743	2.1
91.05476	33.6
93.07046	33.3
95.04955	43.9
95.08599	33.1
97.06506	6.3
105.07017	52.3
107.04958	3.1
107.08596	29.5
109.06476	22.3
109.10137	18.0
115.05423	6.1
117.07010	13.0
119.08571	59.8
121.06482	5.5
121.10133	14.6
123.08021	7.1
123.11710	3.1
125.09607	3.2
128.06216	12.0
129.06979	14.6
130.07776	4.3
131.08560	27.6
133.06494	3.1
133.10121	21.0
135.08060	14.8
135.11682	10.4
137.09647	2.4
138.74820	2.2
141.06975	9.3
142.07773	19.2
143.08554	36.7
144.09291	8.7
145.06479	4.0
145.10115	34.9
147.08009	7.4
147.11662	7.0
149.09584	4.3
151.07527	8.3
153.06989	3.7
154.07703	3.8
155.08553	12.8
156.09308	15.9
157.10115	54.9
158.10919	3.6
159.08011	7.9
159.11691	26.3
161.09654	11.6
161.13223	8.0
163.14914	2.4
165.06927	6.6
166.07718	3.7
167.08533	7.7
168.09425	4.8
169.10103	23.0
170.10887	11.3
171.11693	26.2
172.08838	2.9
172.12366	3.4
173.09566	6.3
173.11876	2.2
173.13245	9.5
175.11189	5.7
177.12750	2.4
178.07547	2.3
179.08517	9.2
180.09341	6.8
181.10152	15.1
182.10898	7.6
183.11664	23.6
184.12457	4.0
185.13246	59.3
187.11203	12.9
187.14752	13.6
189.12686	2.3
192.09291	5.2
193.10129	19.9
194.03296	2.1
194.10883	11.0
195.11670	30.3
196.12331	8.1
197.13261	19.6
198.13884	3.4
199.14777	4.8
201.12692	4.4
203.14273	5.9
205.10074	3.2
205.15898	7.0
206.10851	4.4
207.11646	21.2
208.12396	10.6
209.13274	23.0
210.13908	2.8
211.11147	3.5
211.14755	11.8
213.12727	10.4
213.16441	3.2
217.10121	2.3
217.15820	2.9
218.10828	2.2
219.11620	8.1
220.12447	3.9
221.13223	17.7
222.13968	8.8
223.11247	3.6
223.14897	16.0
224.15202	2.9
225.12679	6.1
225.16257	4.6
227.14238	5.5
231.11533	3.9
232.12482	4.4
233.13301	9.9
234.13965	3.9
235.14816	6.7
236.15546	5.8
237.16402	11.8
238.17027	4.2
239.14305	5.2
239.17772	2.2
241.15796	7.4
245.13193	3.5
246.13988	2.7
247.14778	7.7
248.15601	2.7
249.16371	10.7
251.14200	2.9
251.17856	10.1
253.15804	2.7
255.17426	6.1
256.18130	2.7
258.13956	4.1
261.12430	2.5
261.16345	4.6
263.17938	5.9
263.20102	68.0
265.15891	4.5
265.19452	9.8
267.17493	4.5
269.18912	3.5
273.16174	3.6
275.17917	2.8
277.15851	4.9
279.17514	2.6
281.18875	5.7
282.19510	3.1
289.19406	5.2
291.17181	7.1
291.19617	7.3
299.17917	2.3
305.18906	2.5
307.20471	6.8
309.18381	5.0
314.20364	3.2
317.18790	2.3
337.25314	2.4
347.23492	27.9
365.24664	100.0
366.24817	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	365.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55951	1.1
53.03924	1.8
55.01861	1.3
55.05504	7.8
55.42848	1.1
56.86985	1.1
57.07076	11.3
58.99867	1.0
59.04983	1.1
60.41342	1.2
65.03948	1.1
67.05501	15.0
69.03432	2.0
69.07062	8.4
70.85285	2.2
71.04991	1.7
71.08655	1.2
79.05492	11.5
81.07053	12.0
83.04950	3.0
83.08601	4.5
85.06522	6.0
91.05471	12.3
93.07034	17.3
95.01968	1.2
95.04955	18.3
95.08595	12.4
95.64968	1.2
97.06509	3.6
97.36973	1.0
103.05440	1.3
105.07030	18.3
107.08582	13.8
109.06480	5.5
109.10145	6.8
111.08075	1.7
115.05431	3.2
116.06458	1.2
117.07002	5.1
119.08576	19.1
121.06531	3.1
121.10156	6.3
123.08080	9.3
124.08786	1.6
125.09605	2.3
128.06218	3.6
129.07022	6.9
131.08536	9.3
133.10114	10.9
135.08026	7.1
135.11665	3.8
137.05907	2.0
137.09613	2.3
141.06987	2.9
142.07779	5.7
143.08542	12.9
144.09309	1.4
145.10103	13.9
147.08015	2.5
147.11661	3.6
149.09604	3.3
151.07556	5.6
152.08337	5.7
153.06993	2.4
155.08548	5.1
156.09299	6.6
157.10110	16.3
158.10753	1.5
159.08040	2.9
159.11688	14.1
161.09601	3.2
161.13255	4.7
163.11169	1.7
165.06978	2.2
165.09087	16.2
166.07713	1.7
167.08534	1.8
168.09297	1.6
169.10138	7.5
170.10826	3.5
171.11687	7.8
172.08859	1.2
172.12436	2.1
173.09579	2.2
173.13245	3.6
175.11180	2.2
177.09116	1.3
177.12674	1.8
179.08536	3.3
179.10619	2.9
180.09317	2.6
181.10103	4.3
182.10822	2.7
183.11703	11.0
185.09578	1.5
185.13229	16.0
187.11163	4.2
187.14825	4.9
189.12695	2.2
193.10115	5.8
193.11845	1.2
194.10844	3.4
194.12930	2.1
195.11722	10.2
195.13524	2.0
196.12454	4.0
197.13271	8.8
199.11185	2.6
199.14813	4.3
203.14366	1.5
205.15857	2.6
206.10878	2.4
207.11653	6.0
207.13631	1.8
208.12418	4.5
208.14388	1.5
209.13217	9.0
210.13974	2.0
211.11171	2.2
211.14828	4.7
213.12701	3.5
219.11620	2.9
220.12521	2.0
221.13210	7.0
221.15273	2.5
222.14026	2.6
223.14766	5.6
225.12668	1.9
225.16316	2.2
227.14302	2.3
232.12218	1.5
233.13127	1.7
235.14806	3.0
235.17017	1.3
237.16403	3.1
237.86684	1.4
238.17110	2.3
241.15785	1.7
245.13283	1.2
247.14714	2.3
249.16357	4.8
249.18634	2.1
251.17917	4.9
253.15907	1.5
259.14777	2.7
263.17856	3.1
263.20142	4.4
265.15833	1.4
265.19333	2.7
267.17548	2.1
269.19019	2.6
271.14090	2.0
277.15790	1.4
281.18845	2.4
289.19485	1.5
291.17224	3.2
291.19955	1.7
305.24734	2.8
307.20468	1.8
309.18372	2.5
319.26273	3.2
347.26132	36.1
365.27209	100.0
366.07602	2.6
366.26901	4.0
368.72281	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67753	2.8
53.03934	4.7
55.05513	25.0
57.03422	7.4
57.07072	48.7
59.04998	3.5
60.36457	3.4
61.02914	5.1
65.03936	3.1
67.05498	47.3
69.03413	11.2
69.07063	40.2
70.04048	3.8
73.02905	3.9
79.05480	29.6
81.03407	4.0
81.07052	44.0
83.04910	12.3
83.08609	15.2
85.02906	6.4
85.06539	6.3
91.03938	6.8
91.05473	41.4
93.06458	4.9
93.07028	42.2
95.04961	41.2
95.08601	33.9
97.02884	10.7
97.06503	6.0
97.10149	3.2
102.09154	10.9
105.06330	2.0
105.07018	58.5
107.04919	5.3
107.08576	38.2
109.06505	12.4
109.10150	25.7
111.08055	4.5
115.05457	6.3
117.06998	12.8
119.08573	48.0
121.06483	8.4
121.10138	37.5
123.08087	5.5
123.11763	5.2
128.06226	6.4
129.06981	13.3
130.07780	6.2
131.08554	37.5
133.10112	23.7
135.08020	15.7
135.11691	9.0
137.09709	3.9
141.06960	4.9
142.07776	13.1
143.08546	36.1
144.09341	4.6
145.10127	37.3
147.08101	8.1
147.11646	15.1
149.09621	12.1
149.13249	5.9
153.06955	4.0
155.08531	14.5
156.09338	14.0
157.09869	46.7
158.10838	5.4
159.08113	5.6
159.11661	19.6
161.09590	9.8
161.13251	6.8
163.11192	4.3
164.98447	12.3
165.04659	8.4
165.07001	6.6
167.08553	8.8
167.10535	7.0
168.09375	9.3
169.10136	19.9
170.10870	7.5
170.91507	3.6
171.08049	3.8
171.11678	19.8
173.09613	5.8
173.13245	33.3
175.11247	6.0
177.12781	3.7
179.08577	10.6
180.09332	6.9
181.10150	17.1
182.10938	7.1
183.11644	21.7
184.12453	3.5
185.13223	12.5
186.96954	4.6
187.11217	8.1
187.14798	5.3
189.12682	6.2
191.14346	22.3
192.09317	5.7
193.10095	14.3
194.10866	8.3
195.11696	20.4
196.91336	5.0
197.13217	12.7
198.91118	5.3
199.11125	9.1
199.14813	8.1
201.12738	7.0
205.09982	5.3
206.10916	6.6
206.99387	4.1
207.11635	19.8
208.12459	9.8
209.13249	19.8
210.10439	5.2
210.14067	3.8
211.11264	3.6
211.14822	13.6
213.12811	5.1
216.15167	3.0
217.15929	3.8
219.11655	7.2
220.12375	4.8
221.13268	13.9
222.14017	5.4
223.14813	10.5
225.12703	7.1
225.16191	4.5
227.14305	3.2
233.13164	8.2
234.13971	4.0
235.14813	8.5
237.16296	6.7
239.14258	3.2
241.15942	4.5
243.11583	3.5
245.13188	4.6
247.14706	6.1
249.12738	4.5
249.16446	11.7
251.14549	3.8
253.15865	4.4
255.17300	4.2
259.14618	4.1
263.17889	11.2
265.15723	9.0
265.19449	4.6
267.17331	8.1
267.99512	4.0
268.98938	6.5
269.18719	3.9
273.18661	4.5
278.16885	3.7
281.19031	7.6
282.19812	6.6
291.19730	20.9
309.02649	7.2
309.18527	4.7
319.24365	4.1
329.22461	3.5
333.15244	3.8
347.23676	23.8
364.36041	3.4
365.24759	100.0
366.01517	4.4
366.25192	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	365.2473
Annotation	Quinestrol
Peak:m/z	Relative Intensity
55.01871	4.2
55.05511	21.6
56.96569	3.4
57.03417	8.4
57.07057	14.5
58.07380	2.8
65.03912	3.3
67.05501	36.5
69.03424	6.8
69.07057	39.7
69.29115	13.7
69.29546	19.7
70.07384	5.6
71.04983	5.5
74.02435	4.8
79.05479	30.0
81.03403	5.2
81.07047	34.2
83.04970	8.7
83.08603	8.6
85.06541	9.6
86.14617	3.3
91.05471	40.3
93.07036	39.0
95.04969	33.4
95.08602	22.2
97.06519	8.1
97.10144	5.9
98.21587	3.9
102.97087	3.5
103.69163	3.0
105.07026	51.5
107.04949	6.2
107.08596	28.9
109.06509	14.6
109.10127	18.3
111.08035	4.6
115.05414	3.3
116.07119	3.0
117.07021	15.4
119.08566	45.2
121.06505	5.2
121.10155	26.6
123.08056	11.3
123.11656	4.1
128.06194	7.8
129.06964	16.7
130.07896	3.8
131.08571	31.8
133.06456	6.3
133.10103	24.7
135.08064	14.7
135.11664	8.3
139.11267	3.9
141.07013	6.9
142.07788	13.5
143.08527	24.9
143.13925	3.1
144.09354	3.5
145.10118	33.6
147.08029	10.4
147.11659	14.2
149.09612	13.0
149.13197	4.5
155.08591	14.6
156.09337	10.5
157.10117	33.5
158.10875	6.0
159.08057	5.3
159.11632	15.9
161.09595	11.6
161.13228	6.3
165.06984	6.0
166.07729	4.1
167.08545	7.0
167.10751	6.4
168.09343	8.6
169.10115	16.1
170.10878	5.0
171.08134	4.4
171.11681	15.3
173.09627	5.3
173.13248	26.0
175.11139	5.3
177.12682	7.3
179.08560	6.2
181.10110	16.1
182.10936	6.1
183.11674	24.1
185.13245	10.7
187.11150	9.0
187.14806	7.4
189.12711	4.6
191.14273	16.3
193.10118	14.3
194.10858	7.8
195.11693	12.9
195.13573	5.4
197.13297	14.9
199.06915	4.3
199.11197	6.6
200.07368	4.4
201.12672	7.5
203.05289	3.6
206.10922	6.8
207.11658	18.4
208.12485	4.8
209.13235	12.3
211.11099	4.8
211.14780	8.6
213.12729	3.4
215.14383	4.7
216.15131	3.7
217.15790	3.9
219.11665	3.8
221.13205	13.7
222.13998	4.1
223.14848	9.7
225.12788	6.3
225.16362	3.8
233.13245	9.1
235.14813	6.1
237.16377	9.0
245.13087	5.5
248.15755	3.7
249.16425	13.4
251.17874	4.4
253.15894	5.8
255.17426	5.4
259.14838	4.0
263.17941	9.2
265.15921	5.1
265.19525	3.8
267.17633	5.1
269.19040	4.2
273.16074	5.1
273.18689	5.9
281.18958	6.1
291.16794	4.4
291.19574	14.2
297.18515	4.8
347.23709	21.2
365.10593	7.2
365.15878	8.8
365.24698	100.0
366.24866	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	365.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.8
55.01871	19.1
55.05514	21.5
56.96557	3.6
57.03434	46.3
67.05503	40.2
69.03418	5.2
69.07066	17.3
69.79621	7.4
69.80025	16.8
70.06581	3.2
71.05016	5.7
76.89889	3.0
78.59350	3.4
79.05490	63.2
81.03425	5.7
81.07050	41.3
83.04987	6.8
83.08616	7.2
85.06551	10.1
91.05479	54.6
93.07038	52.1
95.04963	26.2
95.08604	24.8
97.06546	6.5
97.10136	4.6
99.08080	4.7
105.07027	41.1
107.04964	32.4
107.08589	36.4
109.06513	75.5
109.10171	9.1
111.04577	2.8
111.08146	3.2
113.05981	6.2
115.05435	6.6
117.07021	32.3
119.08584	26.9
121.06536	11.4
121.10143	10.4
123.08056	9.4
125.09653	4.6
128.06226	7.0
129.07021	18.2
131.08569	35.1
133.06476	7.5
133.10130	14.2
135.08049	67.2
135.11688	6.7
137.09647	5.3
141.06956	5.4
143.08530	16.4
145.06516	5.5
145.10115	23.9
147.08040	18.9
147.11716	7.3
149.09615	18.0
149.13274	7.9
151.11292	4.7
155.08493	5.2
157.10114	18.2
158.97652	3.3
159.08055	12.4
159.11699	16.7
161.09610	28.5
161.13269	3.8
163.11211	9.4
169.10149	4.0
171.11678	9.1
173.09639	6.0
173.13261	3.7
175.11186	17.1
177.12740	9.1
183.11630	4.8
187.11089	4.5
187.14825	3.3
189.11209	6.5
189.12775	6.5
195.11787	4.9
199.11250	5.7
199.14861	8.3
201.12733	9.4
211.14551	3.6
217.15865	25.0
227.17929	5.7
237.16486	4.2
245.18961	13.1
248.25659	3.2
255.17474	14.6
273.15536	6.4
273.18478	100.0
291.19479	21.5
347.22208	10.0
365.11478	3.7
365.19278	32.9
365.23337	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.7
55.01856	11.6
55.05509	38.6
56.96556	6.6
57.03437	92.2
57.07059	4.2
57.72415	3.6
59.04996	6.6
65.03916	4.7
67.05179	5.1
67.05507	84.5
69.03441	28.8
69.07062	19.1
70.06565	4.5
71.04990	8.9
71.58860	6.1
79.05495	97.3
81.03401	7.3
81.07054	90.3
83.04965	11.7
83.08600	13.9
85.06535	12.8
91.05483	88.1
93.07046	75.5
95.04967	25.9
95.08601	52.2
96.02894	3.9
96.91869	3.8
97.06524	16.8
97.10175	4.1
97.84821	3.4
99.08075	4.5
105.04491	4.6
105.07034	61.2
107.04953	100.0
107.08591	39.4
109.06515	41.2
109.10126	15.7
111.08096	6.1
113.05991	5.8
115.05449	6.0
117.07011	25.3
119.04928	5.8
119.08580	43.8
121.06521	20.5
121.10136	25.6
123.08058	9.1
123.11703	7.2
125.09581	5.6
127.07529	31.8
128.06203	9.6
129.07043	23.8
131.08569	38.5
133.06487	19.4
133.10132	27.5
135.08051	37.7
135.11682	11.8
137.09599	7.5
141.06929	3.7
142.07701	4.6
143.08565	21.0
145.10114	25.8
147.08044	14.4
147.11667	19.6
149.09599	22.5
157.10150	14.3
159.08086	4.9
159.11685	11.6
161.09698	21.4
161.13220	5.0
163.11226	8.2
165.08992	4.1
169.10120	4.3
171.11665	13.2
172.47736	3.2
173.09650	5.0
175.11194	9.9
177.12753	5.5
183.11655	4.3
185.13248	8.0
187.14767	8.8
189.12709	8.4
199.11212	5.2
199.14803	8.0
201.12825	5.0
203.14394	5.6
205.15919	7.3
217.15955	24.3
218.27068	3.5
221.15273	6.9
227.17993	4.7
245.18980	10.6
249.14825	8.8
255.17390	5.5
263.19968	4.8
273.18478	55.7
273.28894	3.6
291.19537	53.7
340.78857	4.0
347.22125	7.7
365.23206	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.7
55.01860	17.2
55.05515	50.9
57.03442	28.4
57.07063	3.9
64.43482	4.0
67.05507	90.5
69.03420	12.7
69.07069	46.4
72.93766	4.7
79.05495	75.2
81.03419	16.3
81.07060	79.7
83.04503	4.3
83.04955	20.6
83.08620	12.7
85.06554	4.5
91.05490	67.1
93.07041	59.6
95.04977	25.2
95.08610	60.6
97.02896	14.4
97.06530	10.2
97.10187	13.3
98.21545	9.8
105.07034	45.9
107.04936	20.3
107.08615	40.0
109.06520	14.2
109.10159	27.2
111.08085	9.6
117.06998	13.7
119.08572	29.8
121.06500	7.7
121.10159	19.9
123.08091	15.0
123.11702	6.4
125.09644	15.5
128.06174	4.8
129.07010	13.0
130.08067	3.9
131.08577	26.8
133.06499	14.8
133.10155	31.6
135.08043	25.1
135.11674	10.8
137.09599	11.1
139.11208	4.7
140.98450	4.2
143.08586	11.8
145.06476	4.3
145.10085	14.1
147.08044	13.4
147.11716	13.2
149.09589	19.0
149.13277	6.5
151.11188	14.9
157.10130	7.7
159.08104	7.9
159.11818	5.4
161.09636	13.7
163.11189	7.9
173.09627	5.9
175.11205	9.9
177.09109	6.1
182.45766	4.3
189.11230	5.6
223.13370	25.8
227.17920	4.6
245.19110	6.9
255.17480	5.2
263.20074	5.6
273.18573	52.2
291.19580	100.0
292.19904	4.5
365.23163	89.4
365.27396	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	365.2321
Annotation	Florxenilide C
Peak:m/z	Relative Intensity
55.01863	14.5
55.05504	26.0
55.05751	5.4
56.96548	8.0
57.03437	76.2
65.03914	7.9
67.05508	42.2
69.07061	13.6
70.84898	16.0
73.00785	5.7
79.05486	59.1
81.07049	36.3
81.07449	5.6
83.04967	9.4
83.08614	13.2
85.06532	14.9
91.05473	84.6
93.07035	48.8
95.04941	15.4
95.08603	20.9
99.08071	6.5
100.36102	5.9
105.07028	56.2
107.04960	30.9
107.08586	36.1
109.06508	80.9
115.05499	7.3
117.07011	49.6
119.08550	40.1
121.06467	13.4
121.10107	10.0
122.22131	5.2
123.08031	9.5
128.06206	13.9
129.06987	21.8
131.08583	42.2
133.06502	10.7
133.10127	20.7
135.08034	64.9
137.09601	7.5
140.95081	6.8
141.07031	9.0
143.08568	24.4
145.10161	27.6
147.08064	20.6
149.09615	7.3
149.13254	9.1
157.10080	31.8
159.11694	17.4
161.09586	33.0
169.10213	6.4
171.11661	15.7
173.13333	8.4
175.11148	11.2
177.12778	6.1
183.11668	8.0
189.12695	8.5
195.11694	7.7
199.14912	12.6
201.12769	11.8
217.15811	48.1
245.18979	11.2
255.17407	13.2
273.15607	4.3
273.18484	100.0
291.19601	15.1
312.16321	6.4
347.15744	5.7
347.22073	18.8
365.16104	8.7
365.23209	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	365.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57855	4.5
51.71046	4.9
53.03931	5.9
53.74859	5.4
54.44910	4.6
55.01862	17.9
55.05520	30.5
56.96558	22.0
57.03438	67.0
65.03959	6.2
67.05507	53.4
69.03429	16.3
69.07066	20.9
71.43942	7.7
76.05437	5.0
79.05492	70.2
79.93684	4.9
81.07067	55.9
83.04981	5.2
83.08604	13.2
84.65856	5.8
85.06537	10.2
91.05477	100.0
91.06017	8.1
93.07047	45.2
95.04946	11.2
95.08603	36.1
97.02917	4.9
97.06513	8.4
97.10164	14.6
105.07038	52.8
107.04948	27.0
107.08600	24.6
109.06516	53.5
109.10146	13.1
111.08052	6.8
115.05449	7.9
117.07030	37.5
119.08579	42.0
121.06458	7.9
121.10133	21.1
121.45274	4.8
123.08055	6.5
125.09619	9.2
128.06224	8.8
129.07028	34.2
131.07092	5.4
131.08565	40.6
133.06537	10.3
133.10132	19.8
135.08040	41.7
135.11717	8.1
137.09634	7.1
141.06966	7.6
143.08609	27.3
145.10097	33.6
147.08081	37.6
147.11694	12.6
149.09618	10.9
149.13255	6.1
155.08551	7.5
157.10114	34.1
159.08070	11.9
159.11687	16.6
161.09581	23.2
163.11230	5.9
171.11732	14.9
173.09644	6.4
173.13342	7.6
175.11174	13.8
177.12776	6.6
183.11647	11.4
185.09587	5.9
199.11121	8.0
199.14798	18.2
201.12746	21.1
217.07460	5.6
217.15869	39.4
223.13344	5.5
237.16499	6.0
241.13271	4.8
245.19057	5.7
255.09224	5.3
255.17474	12.5
259.08643	8.6
269.10556	14.0
273.15756	9.4
273.18491	84.2
290.67105	4.8
291.19449	33.2
293.17343	5.1
295.12161	21.3
313.13147	15.7
347.22232	13.6
361.99600	5.2
365.15948	9.8
365.19830	5.4
365.23257	51.3
383.17453	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	365.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	12.7
55.01860	20.0
55.05260	3.1
55.05506	43.1
56.96557	4.2
57.03435	35.5
57.07065	25.8
59.04994	17.4
65.03931	3.5
67.05499	99.6
69.03417	12.5
69.07062	78.1
69.65816	15.8
70.04070	4.0
70.07848	4.8
71.04982	8.1
73.02917	3.3
79.05486	86.9
81.03424	15.1
81.07051	98.9
83.04984	24.3
83.08609	14.5
85.02862	3.9
85.06540	9.4
87.97375	2.7
91.05476	100.0
93.07042	84.1
94.07394	2.6
94.18961	2.6
95.04953	31.3
95.08601	43.5
97.02885	3.9
97.06511	10.5
97.10162	6.7
98.21488	3.2
103.05435	5.3
105.07021	78.6
105.76439	2.6
107.04945	35.0
107.08583	60.1
109.06519	17.2
109.09446	5.3
109.10149	53.5
111.04419	4.8
111.08051	15.0
113.05994	7.4
115.05453	2.8
115.07554	8.4
117.07012	19.8
119.08578	31.6
121.06505	15.6
121.10148	30.0
123.04416	4.5
123.08082	8.8
123.11691	11.2
125.09617	5.1
128.06212	5.9
129.01060	6.2
129.06995	12.4
131.04861	3.5
131.08563	34.3
133.06482	16.5
133.10120	97.2
135.04391	2.7
135.08043	28.2
135.11685	16.1
137.05936	3.7
137.09622	6.4
139.07523	7.3
141.01007	7.4
142.07768	4.6
143.08533	14.8
145.06448	4.3
145.10104	13.4
147.08041	11.2
147.11674	10.9
149.09610	24.3
151.11171	43.7
157.10106	12.0
159.08026	11.4
159.11699	12.1
161.09605	18.1
161.13214	5.0
162.09952	3.1
163.11163	7.9
169.10187	4.1
169.12250	7.2
171.11681	7.9
172.70480	2.7
173.09621	5.0
173.13176	3.4
175.11162	9.2
177.09077	9.1
177.12691	4.6
183.11636	4.8
185.13171	5.6
187.11166	6.7
187.14778	4.0
189.10971	2.9
189.12682	6.0
193.12183	4.4
197.07246	19.9
199.14804	3.1
201.05403	3.7
215.10915	6.1
223.13237	11.2
227.17981	3.1
243.10170	30.2
245.18983	9.8
253.14305	26.8
255.17303	3.9
263.20035	7.5
268.98840	5.3
269.13834	4.8
273.18460	43.4
291.19507	49.7
309.14859	7.2
347.12534	2.9
347.22046	4.2
365.14520	5.2
365.23187	62.5
383.14999	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	365.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.1
55.01870	7.7
55.05508	37.0
55.93520	4.6
56.94304	2.3
56.96553	1.3
57.03431	11.9
57.07071	13.0
58.07407	1.9
65.03925	1.7
66.54047	0.9
67.05500	37.3
68.29440	1.0
69.03428	13.1
69.07064	63.9
70.04073	11.6
70.07389	4.1
70.07838	6.0
70.10017	3.8
70.95859	5.6
71.04971	2.6
71.19522	0.8
71.93007	0.9
72.93780	11.0
79.05490	29.7
81.03416	7.1
81.07051	29.4
83.04978	5.8
83.08614	13.2
85.06525	1.5
88.96906	3.7
90.94828	7.6
91.05469	18.4
92.14236	1.1
93.06461	1.4
93.07039	19.7
95.04962	10.7
95.08594	12.5
97.02892	16.6
97.06522	4.3
97.10166	19.8
105.03403	1.3
105.07023	15.2
107.04955	10.2
107.08582	16.4
108.95856	2.6
109.06502	4.3
109.10144	11.0
110.03505	4.5
111.08086	2.1
115.07565	7.3
116.07885	2.5
116.96338	1.9
117.07005	8.2
119.08566	12.7
121.06493	4.3
121.10138	5.8
123.08057	5.5
125.09619	14.4
128.06270	1.6
128.96375	1.0
129.07004	4.9
130.97908	1.2
131.08553	7.5
133.06520	1.2
133.10115	5.9
134.97379	1.1
135.08060	5.7
135.11670	3.1
137.05905	1.3
137.09566	3.8
137.53038	0.9
138.98376	2.0
139.84557	1.1
143.08551	3.9
144.95848	1.1
144.99432	2.4
145.06331	1.6
145.10100	7.2
146.97383	2.4
147.08012	5.7
147.11658	3.4
147.96536	1.2
148.98907	2.7
149.09625	1.9
149.13203	2.6
150.96921	1.1
150.98393	1.1
151.02068	1.5
151.11200	1.3
152.11531	1.1
153.09140	2.5
156.99506	1.8
157.10101	3.6
158.97470	0.9
159.11671	2.7
161.09633	3.4
162.96838	1.2
163.11162	2.8
164.99991	3.6
165.09125	2.9
166.97943	1.3
167.10516	1.3
168.91849	6.5
168.99469	1.1
169.92236	2.6
170.91565	10.9
171.10266	1.4
171.11690	2.2
172.99007	2.1
175.11162	1.6
177.12747	2.1
178.89642	1.0
178.97906	2.3
179.05101	1.1
179.10646	1.1
180.99448	1.2
181.12331	0.9
183.98199	1.1
184.98997	2.6
186.01224	1.3
187.00475	1.6
189.02065	1.2
189.03571	1.0
189.11191	8.5
189.12671	1.3
192.99435	2.4
193.12210	1.6
195.01089	1.1
195.13812	2.0
196.91371	16.4
197.91759	8.1
198.91077	26.4
198.92865	2.0
199.00369	1.0
201.03604	2.6
205.12155	2.2
210.92908	1.8
211.93240	2.8
212.92581	5.7
213.01912	1.2
213.03757	1.7
215.03601	1.5
221.02713	1.2
223.13264	33.7
225.02086	1.4
227.05316	1.2
229.05145	1.8
237.43266	1.0
245.19078	1.9
253.05182	2.1
255.06805	1.8
255.17526	1.7
259.06137	1.5
263.03598	1.4
263.20093	2.0
266.99207	8.8
267.06509	5.5
267.99518	19.7
268.98914	29.0
271.06274	9.4
273.18527	11.6
281.04636	1.6
283.06302	2.4
285.07721	7.2
287.07297	1.5
291.19516	100.0
292.19812	2.3
299.05771	4.5
307.09851	3.6
308.09537	1.7
322.07361	1.2
329.12051	2.8
335.13116	2.8
345.11356	2.1
347.09036	1.9
347.13022	27.5
348.13162	3.4
365.02417	1.4
365.14093	8.8
365.23187	40.0
366.01611	2.1
366.14532	1.6
388.15424	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.9
55.01861	6.1
55.05510	14.2
56.96297	2.8
56.96564	40.4
57.03438	56.7
65.03937	4.1
67.05505	62.6
69.07054	10.3
70.72922	5.3
70.73263	4.4
71.04991	4.3
71.08617	3.0
79.05493	36.5
81.03413	5.6
81.07063	36.3
83.04983	5.0
83.08624	5.6
84.01478	2.2
85.06541	39.5
91.05482	41.7
93.07053	33.9
93.41177	2.7
95.04971	64.1
95.08608	21.3
95.59604	2.4
97.02903	2.5
97.06523	4.9
97.10130	4.0
98.46418	2.1
98.97583	5.1
99.08066	2.7
105.07038	30.3
107.04949	19.3
107.08575	21.2
109.06516	50.4
109.10114	4.7
111.08057	4.0
113.06003	100.0
115.05473	2.7
116.98611	7.1
117.07016	16.3
119.08561	12.0
121.06497	7.6
121.10101	7.7
123.08073	4.6
125.57835	2.3
129.06989	10.7
131.00191	3.9
131.08582	19.7
133.06506	4.6
133.10121	16.0
135.08058	41.0
135.11687	8.7
143.00095	3.1
143.08501	8.3
145.10126	12.8
146.99651	4.1
147.08057	8.7
147.11710	5.4
149.01230	7.0
149.09622	8.8
155.08527	3.1
157.01863	3.6
157.10106	8.6
159.07925	4.2
159.11687	7.8
161.09615	11.3
161.13268	4.4
167.02260	3.6
171.03311	3.7
171.11690	6.0
173.13242	6.2
175.11096	5.2
177.00702	6.1
183.11703	3.7
185.04765	3.0
185.13249	5.9
189.12697	3.5
189.16534	2.8
191.02309	3.8
193.12227	4.9
199.06425	3.5
199.11200	3.1
199.14806	5.2
217.07378	4.3
217.15897	16.6
219.17503	2.6
239.09654	3.3
245.18874	4.5
253.10893	2.8
255.17288	3.3
256.46799	2.4
261.11743	3.2
269.10605	6.0
273.18469	29.6
277.11279	4.6
277.21661	3.8
279.12674	19.1
284.12738	16.8
284.62820	4.5
285.09903	3.3
291.19568	24.9
293.05396	2.6
295.12088	15.7
313.13037	5.5
344.67175	3.0
347.22156	3.2
365.15808	4.8
365.23096	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	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	4.2
53.03933	15.1
55.01863	17.5
55.05270	4.9
55.05512	53.0
56.96556	11.3
57.03187	5.1
57.03434	59.3
60.04520	4.2
65.03922	5.9
67.05174	6.6
67.05505	93.7
69.03435	18.8
69.07070	24.8
70.06605	28.3
71.01327	5.1
71.04984	10.5
71.29014	3.4
71.58768	6.5
72.08130	18.5
72.08503	4.6
79.05492	95.0
81.03402	13.1
81.07056	100.0
82.07413	4.7
83.04969	22.2
83.08623	21.1
84.04491	7.9
84.08156	26.7
85.02917	4.3
85.06537	11.5
86.09723	22.1
91.05482	86.7
93.06478	6.3
93.07043	86.0
95.04972	23.2
95.08610	58.5
97.02856	6.1
97.06513	11.6
97.10161	24.2
99.04410	6.4
99.08097	6.7
103.05490	7.4
105.07030	64.0
107.04952	51.1
107.08595	57.9
109.06518	43.4
109.10177	28.7
110.07153	8.3
111.08088	9.3
117.07035	37.6
119.08583	49.3
120.08069	6.4
121.06501	18.0
121.10125	25.7
123.08093	21.8
123.11672	6.6
125.09622	18.4
128.06216	7.2
129.06978	16.2
129.10211	4.4
131.08559	46.4
133.06471	14.1
133.10168	24.3
134.99599	5.1
135.08066	36.9
135.11681	13.0
136.06195	58.2
137.09634	12.0
141.06982	5.0
143.08543	16.0
145.06514	7.3
145.10114	26.3
147.08028	17.3
147.11641	13.4
149.09590	17.7
149.13292	6.0
152.05646	6.2
153.04068	27.5
154.02437	5.5
155.08563	7.7
157.10112	17.3
159.08049	11.6
159.11708	19.4
161.09602	23.3
161.13248	9.4
163.11214	14.5
167.08641	4.6
169.10095	7.1
171.10304	5.4
171.11699	16.7
173.09592	6.7
173.13121	5.2
175.11156	14.5
175.14754	4.0
177.12711	7.7
183.11710	7.2
184.07437	8.2
185.04245	5.3
185.13268	8.4
187.11119	6.3
189.11192	25.2
189.12743	8.5
195.11711	4.9
199.14842	7.9
201.12662	9.4
201.16261	5.6
203.05215	9.8
217.15849	13.1
219.13911	4.4
227.17917	8.0
230.07744	6.4
235.16937	15.4
237.16364	4.7
245.18974	14.2
255.17461	20.2
261.12228	5.1
263.20215	4.9
273.18478	86.8
287.11603	5.2
291.19495	31.4
341.08664	4.7
347.22186	12.4
348.20630	9.8
360.32684	4.0
365.10666	21.2
365.15179	6.5
365.19260	22.0
365.23239	65.8
366.21072	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	365.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
55.01863	8.0
55.05506	35.7
55.93512	3.5
56.94301	2.2
57.03431	14.0
57.07060	2.6
59.05005	1.4
65.03924	1.7
67.05496	39.2
69.03420	14.3
69.07059	57.1
69.92055	1.9
69.92457	4.7
70.95854	3.1
71.04962	2.4
72.93786	7.2
79.05486	36.1
81.03420	6.3
81.07050	30.3
83.04975	5.5
83.08607	11.6
85.06524	2.3
88.96888	2.9
90.94814	4.7
91.05467	22.2
93.07036	25.1
95.04949	12.7
95.08030	2.0
95.08595	18.0
97.02867	11.6
97.06503	4.9
97.10178	13.9
98.21419	1.5
103.05450	1.1
105.07008	17.5
107.04935	9.0
107.08587	17.5
108.95871	2.1
109.06489	6.8
109.10143	10.9
111.08071	3.7
113.05987	3.8
115.05431	1.7
116.06218	1.5
117.06993	8.2
119.04916	1.8
119.08563	16.3
121.06499	5.4
121.10112	7.8
123.04446	1.1
123.08064	5.0
125.09608	15.0
128.06230	1.9
129.07007	3.6
131.08548	10.1
131.25909	1.1
133.06465	4.7
133.10130	7.6
135.08046	7.1
135.11652	4.3
137.09584	4.9
141.06976	1.7
143.08525	4.3
144.99423	1.8
145.10121	7.7
147.08017	7.5
147.11703	3.9
148.99007	1.5
149.09608	3.8
149.13213	3.6
150.98265	1.2
151.02025	1.6
151.11201	2.4
153.09100	1.5
154.44571	1.0
155.08571	1.9
157.10188	3.0
159.07967	1.3
159.11710	3.5
161.09637	3.9
162.96890	1.4
163.11139	2.3
165.09125	2.5
169.10146	1.7
169.12186	1.3
171.10162	1.3
171.11778	2.3
173.13280	1.8
175.11195	3.9
177.12729	1.3
189.11200	8.0
189.12679	1.7
195.13757	1.9
199.11253	1.9
205.12231	1.7
221.15161	1.6
223.13264	21.4
224.79469	1.3
227.12697	1.5
245.04701	1.5
245.18929	1.7
249.14827	2.1
255.17418	2.0
259.06235	2.0
263.20139	2.5
271.06308	4.1
273.18484	24.9
291.19510	100.0
292.19879	1.9
297.16971	1.7
311.09357	1.5
329.12115	1.7
347.12988	27.1
347.22281	2.1
348.13593	1.9
365.13824	6.0
365.23187	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	365.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78458	0.7
53.03929	2.7
55.01864	6.5
55.05508	30.0
57.03429	10.0
59.04979	1.5
65.03928	1.2
67.05499	29.5
69.03425	11.7
69.07062	41.2
69.39194	4.8
69.39622	2.4
71.04979	2.4
79.05486	24.9
81.03415	4.7
81.06567	1.5
81.07047	24.9
83.04981	3.9
83.08606	9.9
85.02946	1.0
91.05476	17.0
93.07037	19.2
95.04959	8.6
95.08600	12.0
97.02885	15.7
97.06515	3.1
97.10158	18.1
105.07017	10.9
107.04951	7.2
107.08585	15.6
109.06474	3.8
109.10139	9.8
111.08028	1.5
115.05459	0.8
115.99995	0.7
117.07015	5.9
119.08575	12.3
121.06467	3.2
121.10146	5.6
123.08042	4.5
125.09627	13.7
129.06989	2.8
130.07759	1.5
131.08540	8.4
133.06479	2.1
133.10127	5.4
135.08032	4.7
135.11668	2.9
137.09596	3.3
137.98903	0.8
141.07051	0.7
143.08546	3.0
143.10623	0.9
145.09093	1.1
145.10089	6.8
147.08031	5.4
147.11707	3.6
149.09607	1.4
149.13248	2.9
151.11186	0.8
153.09154	1.3
157.10123	3.8
159.08098	1.4
159.11682	2.8
161.09573	3.0
161.13278	0.9
162.10361	1.4
163.11148	1.6
165.09116	2.4
169.10017	1.0
171.10191	1.6
171.11649	1.7
173.09587	0.9
173.11716	2.1
175.11122	2.2
177.12746	2.2
179.10519	1.0
187.11069	0.9
189.11195	6.5
193.12120	0.8
195.13776	1.6
205.12225	3.1
223.13277	33.5
224.13649	1.0
227.12749	2.0
227.17896	1.6
245.19009	2.2
249.14766	1.4
255.17427	1.6
263.20035	1.2
270.55460	0.8
272.75040	0.7
273.18469	13.9
284.12695	1.8
285.09985	1.9
291.19516	100.0
292.19836	2.9
347.22153	1.7
365.23151	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.9
53.03935	2.4
55.01870	7.7
55.05508	8.7
55.93522	0.9
56.08113	0.8
56.96554	3.1
57.03434	54.3
57.07060	1.9
58.52357	0.8
61.02930	0.8
65.03923	2.9
67.05502	46.5
69.03413	2.9
69.07065	7.1
71.04977	4.1
72.93785	1.9
79.05491	23.9
79.05956	1.2
80.27158	0.9
81.03413	3.9
81.07053	20.2
83.04976	3.0
83.08626	4.1
85.02882	2.1
85.06540	36.0
90.94843	1.0
91.05470	23.0
93.07039	19.2
95.04964	59.6
95.08602	11.9
97.06506	3.6
97.10175	1.2
99.04467	1.6
103.05450	1.6
105.07027	19.3
107.04954	11.3
107.08594	14.1
109.06510	51.9
109.10149	3.1
111.04428	1.1
111.08033	2.5
113.06002	100.0
114.06343	1.1
115.05458	0.9
117.07012	12.0
119.08567	12.0
121.06490	4.2
121.10135	6.4
123.04336	1.2
123.08060	4.6
125.09668	1.5
128.06224	1.9
129.06999	5.7
130.07785	1.8
131.08546	12.0
133.06491	3.2
133.10123	6.5
135.08051	36.8
135.11653	6.7
137.09601	2.4
141.07007	1.2
142.07768	1.6
143.08533	8.6
145.06511	1.5
145.10107	9.6
147.08040	6.5
147.11674	2.4
149.09579	6.6
149.13234	2.7
151.01855	1.2
155.08565	1.2
157.10098	5.4
158.97597	2.4
159.08028	2.7
159.11658	5.5
161.09618	7.2
161.13184	1.6
163.11172	3.9
165.09137	1.1
169.10069	1.4
171.11664	4.0
173.13258	4.4
175.11142	2.5
177.12740	3.0
179.14394	1.1
181.10168	1.1
183.11676	1.9
191.14330	1.1
195.13795	1.4
197.13092	1.0
199.11203	1.5
199.14769	3.2
201.12773	2.5
217.15868	17.0
219.13818	1.4
226.61543	0.9
227.17804	1.4
229.07503	1.3
233.15410	3.0
237.16293	1.6
245.19016	3.3
255.17531	1.8
267.08832	1.2
273.18454	25.8
285.10147	2.1
291.19534	31.4
291.22812	1.6
347.12717	2.0
347.22073	2.4
365.15253	3.5
365.19305	3.3
365.23181	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	365.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94714	1.5
53.03930	5.4
55.01867	11.8
55.05257	2.1
55.05503	31.2
55.93513	6.1
56.94289	3.5
56.96543	3.2
57.03431	16.1
57.07051	5.2
57.41924	1.3
59.04994	1.9
60.75734	1.7
60.98339	1.5
65.03925	3.3
67.05499	47.2
68.11940	1.5
69.03421	13.1
69.07059	64.4
70.04062	7.0
70.95844	6.5
71.04984	2.8
71.59616	1.9
71.92979	2.6
72.93776	18.4
79.05486	46.8
79.05957	2.8
81.03415	13.4
81.07052	40.5
83.04951	9.0
83.08611	14.9
85.02894	2.4
85.06530	3.2
88.96873	5.1
90.94800	14.6
91.05466	32.7
92.42379	1.6
93.07036	29.9
95.01332	1.7
95.04961	15.3
95.08598	18.0
97.02879	12.6
97.06533	7.6
97.10155	17.1
103.05448	1.8
105.07020	23.9
106.97929	3.4
107.04265	1.9
107.04938	13.6
107.08583	21.0
108.95850	6.0
109.06512	10.4
109.10154	16.0
111.04452	1.8
111.08080	3.5
115.05422	2.1
116.96382	1.9
116.98517	1.7
117.07002	8.8
119.04922	2.4
119.08566	18.4
121.06503	7.7
121.10146	10.4
123.08099	7.7
123.10708	1.5
123.11652	2.0
125.09608	17.9
125.96107	1.8
126.98419	2.3
127.07497	2.4
128.06267	1.7
128.96361	1.7
129.06973	6.1
131.08560	11.4
132.84337	1.5
133.06465	3.5
133.10097	10.1
134.97418	2.6
135.08000	7.6
135.11667	4.6
137.09602	5.9
138.98399	2.8
141.06920	1.9
142.97870	1.9
143.08531	5.9
144.99458	3.7
145.06433	2.9
145.10078	8.7
146.97383	3.3
147.08043	8.2
147.11642	5.0
148.98944	3.9
149.09579	4.4
149.13245	3.8
150.96837	3.4
151.11177	1.8
155.08546	2.0
156.99440	2.8
157.10098	3.4
159.08022	2.0
159.11618	4.8
160.98875	2.3
161.09663	4.9
162.96896	1.8
164.98367	2.1
164.99858	2.1
166.97890	3.5
168.99503	2.0
171.11627	2.8
172.98978	3.3
173.13171	2.7
175.11226	2.9
177.12773	2.4
178.97881	3.0
179.10655	1.7
180.99486	2.4
183.11664	2.0
184.98964	3.2
185.13342	2.8
187.00568	2.9
187.14890	2.6
189.11246	8.7
189.12665	2.4
192.99524	3.1
195.13640	2.2
199.00520	3.2
200.02789	2.4
201.03595	2.3
213.03560	3.7
214.04112	2.2
215.03560	2.8
217.15817	2.8
223.13249	24.6
227.05313	2.7
227.12856	2.5
227.18059	2.0
233.02679	1.8
241.05055	1.8
245.04649	2.0
245.18973	3.8
253.05217	5.5
255.17313	2.3
259.06219	19.5
261.04257	3.2
263.20026	2.6
271.06281	26.0
272.06528	1.6
273.18484	24.9
277.06982	2.3
281.09952	1.7
282.08029	4.2
291.19501	100.0
292.19901	3.1
294.07816	4.4
299.93219	1.6
329.11795	1.7
345.11893	2.0
347.13022	68.0
348.13330	5.7
365.10226	2.9
365.14084	16.3
365.19116	2.4
365.23108	47.3
365.33600	3.8
366.23273	2.0
388.15656	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	365.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.7
55.01875	9.1
55.05511	9.3
56.96565	5.2
57.03433	50.0
57.07079	6.1
57.18010	1.1
61.02916	4.1
65.03928	4.2
65.63188	1.0
65.78697	1.0
67.05500	53.8
69.03418	3.9
69.07067	9.6
70.73229	2.8
71.04996	5.6
73.02903	2.1
75.04456	1.7
79.05489	28.6
81.03410	6.8
81.07054	24.6
83.04971	5.0
83.08612	3.7
84.04517	4.6
85.02888	2.6
85.06540	36.7
91.03925	1.2
91.05476	28.7
93.07040	22.1
94.06556	4.0
95.04964	63.7
95.08032	1.3
95.08604	14.5
97.02888	2.1
97.06551	5.6
97.10197	1.3
98.97568	1.7
99.04453	1.7
99.08071	1.3
103.05366	1.4
105.07018	19.7
107.04951	74.2
107.08592	18.2
108.05292	2.3
109.02862	1.4
109.06512	54.5
109.10128	5.2
111.04321	0.9
111.08060	2.5
113.06001	100.0
115.05467	2.0
116.14355	5.0
116.98646	1.0
117.07011	11.0
119.04942	1.0
119.08591	10.3
121.02859	13.9
121.06482	6.1
121.10162	6.3
123.08060	4.8
127.03928	1.6
128.06206	1.6
129.07010	6.6
129.71182	1.1
130.05037	1.3
131.08553	16.0
133.06493	3.6
133.10118	8.4
135.08049	44.5
135.11650	6.2
136.07559	1.3
137.05959	1.3
137.09634	1.1
141.01167	0.9
141.06976	2.0
142.07738	1.8
143.08554	8.2
145.10092	12.0
147.08040	6.6
147.11664	3.6
149.09625	6.3
149.13251	3.7
152.51945	1.0
153.09167	1.1
154.08652	6.7
155.08546	1.4
157.10143	7.8
159.08029	3.3
159.11661	7.0
161.09607	10.1
161.13229	2.5
163.11186	3.1
165.09193	1.1
165.12790	1.1
169.10277	1.2
169.48495	1.0
171.11671	3.8
173.13261	2.8
175.11192	4.4
177.12758	3.7
182.15387	3.5
183.06709	1.6
183.11780	1.4
185.09412	1.2
185.13228	1.7
187.11217	1.4
189.12694	2.4
189.16335	1.7
193.12152	1.6
195.11815	1.1
195.13837	1.4
196.93118	1.7
197.07283	1.4
198.09146	5.3
199.09538	2.3
199.11157	1.8
199.14809	4.1
199.18037	3.6
200.10733	1.2
201.12727	3.3
202.58044	1.2
210.08955	1.4
212.10284	1.3
217.07455	1.4
217.15891	16.9
227.17720	4.7
228.15904	1.9
233.15356	2.0
237.16362	2.0
245.18655	5.7
255.08977	1.2
255.17474	2.8
258.11243	8.6
260.12833	10.2
261.10126	0.9
267.09033	4.2
267.15997	1.4
268.09280	2.3
273.10361	1.7
273.18469	35.4
283.06216	1.8
285.10101	6.7
286.10431	2.3
291.19522	36.5
292.13306	7.0
292.19879	1.3
305.13660	1.4
347.22058	2.4
365.15732	16.2
365.23154	12.9
366.16443	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	365.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.9
53.35815	2.2
54.11401	2.7
55.01876	13.6
55.05509	45.9
55.90439	2.3
56.96559	5.5
57.03195	3.3
57.03439	46.4
57.07080	3.7
65.03931	5.1
67.05501	99.0
69.03423	6.9
69.07059	29.3
69.31649	4.9
69.32059	18.6
70.06573	7.3
71.01354	25.8
71.04984	8.4
72.08150	4.2
77.03942	2.5
79.05492	97.5
81.03415	6.5
81.07052	100.0
83.04940	12.2
83.08628	18.9
83.80635	2.2
84.08138	5.2
85.06522	4.8
86.09689	5.4
91.05481	82.1
91.55815	2.9
92.76511	2.5
93.06475	5.0
93.07044	99.1
95.04974	27.6
95.08609	82.8
95.09126	1.7
97.06541	13.4
97.10178	12.7
98.11745	2.4
103.03916	4.1
103.05428	3.3
105.03392	2.9
105.07024	59.4
107.04957	27.0
107.08595	61.1
109.06530	26.8
109.10149	34.4
111.04462	2.9
111.08057	14.4
112.11303	2.7
115.05419	4.5
117.07024	31.0
119.04905	4.6
119.08576	59.5
121.06494	17.2
121.10144	35.5
123.08078	24.9
123.11691	6.9
125.09615	11.9
128.06212	5.6
129.07002	16.8
131.08566	36.5
133.06519	14.0
133.10109	43.4
135.08038	20.3
135.11674	20.7
137.09608	17.1
143.08565	20.5
145.06467	2.9
145.10123	37.1
147.08046	35.8
147.11646	20.1
149.09621	13.3
149.13234	5.1
151.11081	5.9
155.08484	3.4
157.10114	16.1
159.08058	4.2
159.11690	15.7
161.09633	25.8
161.13255	7.5
163.11186	27.6
165.09125	11.9
165.12730	3.0
169.10078	5.7
171.11734	12.9
173.09613	8.1
173.13223	9.2
175.11203	12.6
175.14842	3.0
177.12767	6.1
181.10211	5.2
183.11649	4.9
185.09607	4.7
185.13223	7.2
187.11191	4.9
187.14774	3.1
189.11185	7.7
189.12743	5.2
195.11720	5.4
199.14893	4.5
201.16397	8.1
203.17978	5.2
211.14740	3.2
213.12703	3.6
213.16382	7.3
215.14207	2.8
217.15794	4.4
219.17450	6.9
221.18979	2.7
227.17931	13.4
231.17427	3.9
235.16896	5.4
237.16402	5.7
245.09831	2.6
245.19019	21.2
247.16878	4.3
249.18468	7.5
255.17511	19.7
261.18478	3.4
263.20163	15.4
273.18488	93.9
291.19513	34.1
293.21042	4.5
347.22202	10.9
365.10803	4.9
365.19159	17.8
365.23233	84.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.7
53.04162	0.7
55.01869	9.8
55.05508	27.0
56.96553	3.6
57.02814	0.8
57.03180	1.0
57.03434	11.9
57.07055	1.4
59.05003	0.9
67.05501	32.3
69.03432	14.2
69.07063	42.3
70.59193	2.7
71.04984	2.6
76.93970	0.8
79.05488	29.3
79.16458	0.8
81.03426	6.8
81.07054	26.9
83.04957	4.9
83.08191	1.1
83.08616	10.5
85.02885	1.1
86.61184	0.8
91.05482	17.9
93.07035	19.3
94.04200	0.9
95.01308	1.4
95.04958	8.8
95.08604	11.8
97.02889	17.5
97.06501	2.8
97.10163	16.6
105.04523	1.1
105.07017	12.5
107.04967	8.8
107.08592	15.3
109.06498	3.3
109.10152	11.3
111.04437	1.0
111.08062	3.7
117.07030	8.5
119.04930	0.9
119.08585	12.2
121.06481	3.2
121.10123	5.3
123.08073	4.5
123.11623	1.2
125.09619	13.4
128.06232	1.2
129.06989	3.7
131.08549	7.6
133.06491	3.1
133.10132	6.9
135.08058	5.1
135.11694	3.4
137.09616	3.7
143.08534	3.1
145.06448	1.1
145.10089	6.0
146.07268	0.8
147.08028	7.1
147.11650	2.6
149.09592	1.9
149.13226	2.5
153.09081	1.1
155.03761	1.1
157.10056	1.4
159.08043	1.2
159.11682	3.5
161.09619	3.3
161.13184	1.1
163.11154	1.7
165.09084	2.5
169.10225	1.5
171.11632	1.8
173.11713	1.3
175.11111	2.0
177.12740	3.6
179.10727	1.1
185.13277	1.2
187.11150	0.9
189.11238	6.3
189.12692	1.2
191.14413	0.9
193.12234	1.3
195.13783	3.0
199.11232	0.9
205.12177	2.6
213.07901	1.4
223.13269	31.8
227.12729	1.9
227.18007	1.4
229.07550	1.4
231.09033	2.0
241.07436	1.3
245.19034	2.2
247.08504	2.1
249.14784	1.0
255.17473	2.3
259.08505	1.3
263.19958	1.1
271.08365	1.2
273.18494	20.1
285.10080	2.3
291.19519	100.0
292.19907	2.1
347.22095	1.1
365.16162	1.6
365.23175	61.5
366.23630	1.6
383.17477	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13269	4.0
53.03950	7.7
55.01674	2.5
55.01880	26.6
55.05267	3.6
55.05512	43.8
56.96569	17.0
57.03159	3.5
57.03438	69.3
57.07046	4.9
65.02502	2.7
65.03927	4.9
67.05505	90.2
69.03426	23.0
69.07072	40.6
69.29458	35.3
70.06570	3.4
71.04976	9.8
79.05494	99.1
81.03426	6.8
81.07056	85.5
83.04960	13.8
83.08623	17.7
85.06535	16.4
86.09731	3.2
87.67462	2.9
91.05483	97.3
93.06475	5.6
93.07041	85.6
95.04985	33.9
95.08607	46.2
97.06512	14.2
97.10151	14.3
97.69717	3.5
103.05436	4.7
105.07031	64.8
107.04295	5.4
107.04955	67.1
107.08594	44.9
109.06515	63.8
109.10149	15.5
110.07154	4.1
111.04437	7.5
111.08101	6.8
113.06001	24.3
115.05463	5.8
117.07024	43.9
119.08587	45.5
121.06512	20.6
121.10147	25.0
123.08089	15.8
123.11700	3.5
125.09657	8.2
127.07556	5.2
128.06215	5.5
129.06993	23.7
130.07768	4.5
131.07050	5.8
131.08574	47.1
133.06459	15.8
133.10120	29.6
135.08064	60.4
135.11676	13.3
137.09625	12.0
140.31061	3.8
141.06982	5.5
143.08537	21.2
145.06490	3.6
145.10120	31.4
147.08051	31.0
147.11688	14.3
149.09607	13.6
149.13309	8.3
151.11145	8.8
155.08488	6.4
157.10107	21.6
159.08028	11.1
159.11693	15.8
161.09613	25.7
161.13280	9.3
163.11131	8.7
165.09218	3.6
169.10072	5.3
171.11627	11.9
173.09641	7.1
173.13326	5.9
175.11165	19.3
177.12767	7.6
181.10062	3.9
183.11687	9.3
185.09631	5.3
185.13362	9.3
187.11105	3.6
187.14751	5.3
189.11182	8.2
189.12717	7.6
191.10710	4.2
193.12234	4.1
197.13261	5.2
199.11192	5.1
199.14839	12.0
201.12697	7.8
203.14279	4.5
205.12341	3.1
205.15883	3.8
207.13840	3.9
213.12825	3.7
217.07350	5.8
217.15910	27.7
223.13304	9.4
227.18019	7.1
231.08994	6.1
237.16391	4.6
245.18970	12.7
255.17317	10.1
269.10620	21.5
273.10068	4.7
273.18478	100.0
277.56924	3.6
284.37015	3.3
287.11676	10.6
291.19537	57.7
295.11972	6.9
303.19370	5.5
315.51746	3.0
347.22287	9.2
365.19135	15.4
365.23184	70.2
365.31967	4.4
383.17282	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	365.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37240	0.8
51.49283	0.8
53.03951	1.9
53.29802	1.0
55.01865	1.5
55.05509	52.4
56.05026	2.5
57.98807	1.3
58.99584	28.7
62.20078	0.8
67.05489	1.8
67.62173	0.9
67.94984	0.8
70.06592	2.0
71.04890	2.0
72.08153	2.7
76.02222	2.2
76.79531	0.9
77.46046	0.8
79.05473	1.2
80.05002	0.9
81.07058	2.0
83.08615	90.9
84.04501	43.7
84.08103	1.4
84.08918	1.1
85.02899	1.5
86.99049	43.0
88.26664	1.0
91.05482	2.2
92.29706	0.8
95.04935	1.1
97.02856	1.4
97.06505	2.3
97.89845	0.9
100.11275	1.2
101.09657	23.8
102.05547	5.8
105.07069	1.0
107.04964	4.5
109.06504	1.0
110.07131	1.2
119.01637	100.0
120.08048	1.0
121.06494	3.6
123.04462	1.7
130.04990	5.4
134.02740	0.9
136.04297	2.0
136.06163	2.5
137.04587	11.9
137.06476	1.1
142.03197	5.6
159.08411	4.5
201.09322	1.1
202.05373	2.0
219.10486	83.4
220.10811	1.3
234.98976	3.1
236.13152	26.4
245.09076	1.3
284.81125	0.9
287.10226	1.7
292.99310	1.0
294.18820	1.4
302.14337	2.6
305.11411	1.9
319.12949	1.0
322.20041	1.0
339.13544	0.9
347.12286	2.5
348.14865	2.0
358.76477	1.1
364.26318	1.0
365.13345	2.4
365.16977	6.5
365.26035	1.6
368.21365	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	8.2
56.96563	79.6
57.03430	6.1
61.02922	5.9
67.05517	15.5
69.03423	3.4
69.07060	11.0
69.52783	19.9
70.95854	6.4
71.04991	3.1
71.95256	7.5
72.08154	4.0
72.93797	6.3
76.85958	3.0
79.05476	16.2
81.03427	9.3
81.07059	12.1
83.04985	4.9
83.08610	4.5
85.02893	7.3
90.94858	3.5
91.05482	9.8
93.07046	10.5
95.04964	10.5
95.08618	6.9
97.02906	5.6
98.20746	5.8
105.07020	10.2
107.04973	8.9
107.08595	7.9
108.95892	2.8
109.06543	4.0
109.10159	6.8
110.97593	2.9
117.07028	5.9
119.08579	10.2
123.08064	5.5
128.98625	7.3
131.08582	7.3
133.06505	3.6
133.10129	4.7
135.08073	3.0
135.11723	4.8
143.08481	2.9
145.10120	5.5
146.99669	8.0
147.03300	3.0
147.11816	3.5
149.09601	2.9
150.58444	2.6
153.77455	2.7
155.03769	4.5
157.10088	3.1
161.01205	2.8
169.01794	4.2
171.03305	8.5
173.04915	3.7
183.03333	5.9
185.04897	7.1
187.02795	3.3
189.04330	9.2
190.32686	2.7
199.06421	7.6
203.05954	13.9
211.06398	4.8
213.08044	4.7
215.03787	3.3
215.05911	5.6
217.07401	20.4
225.08093	4.6
227.05948	5.8
229.07335	4.9
231.09013	5.7
237.07938	5.8
239.09712	5.5
241.07466	5.4
243.08986	6.7
245.07005	5.9
247.08569	6.7
253.11108	32.6
255.09041	27.3
257.10596	5.3
259.06348	7.2
259.08777	3.8
261.10193	6.6
267.09091	4.3
269.10687	12.5
271.06265	6.8
271.12137	43.4
273.10159	25.4
273.18347	6.6
277.08765	4.2
277.11432	3.8
279.09122	7.2
285.10187	12.6
287.11691	8.9
291.19495	5.0
293.10568	8.7
295.12344	14.7
297.10126	11.9
311.11667	4.9
313.13309	7.0
321.17715	3.1
323.11804	6.2
329.14352	12.6
333.09821	5.5
347.15430	69.1
347.19266	5.4
365.16464	100.0
383.17517	18.9
388.17709	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.4
53.03933	0.6
55.01855	1.1
55.05510	1.3
56.05024	0.8
56.96553	0.6
57.03431	1.5
60.88231	0.2
61.02908	0.3
65.03934	1.8
67.05496	4.7
69.03417	0.4
69.07062	7.8
70.06580	1.2
71.01334	0.3
71.04999	0.3
71.59593	0.3
72.08137	0.7
79.05483	2.8
81.03406	1.0
81.07064	2.5
83.04983	0.6
83.05619	0.4
83.06096	6.3
83.08601	0.8
84.04499	16.5
84.08138	0.6
85.02882	1.2
86.09705	2.1
87.04443	0.3
91.05466	2.7
93.07027	2.6
95.04964	2.1
95.08611	1.7
96.04462	0.5
97.06526	1.4
97.10130	0.5
98.35297	0.2
101.07140	4.1
103.05461	0.3
105.07027	2.5
106.78876	0.3
107.04948	11.7
107.08598	1.5
108.02090	2.0
108.05288	0.3
109.02838	0.4
109.06532	0.8
109.10146	0.8
110.03516	0.8
110.07144	0.3
111.04448	0.6
111.08058	0.4
112.01538	0.3
113.07125	1.3
115.05444	0.4
117.07005	0.8
119.08585	1.9
121.02876	0.4
121.06496	1.2
121.10131	1.0
122.06049	0.5
122.07045	0.2
123.04443	1.1
123.08048	0.5
123.11687	0.4
125.09595	0.5
128.06192	0.3
128.07120	0.3
129.06580	12.4
130.04988	7.2
131.08574	1.4
133.06465	1.2
133.10104	0.9
135.08054	0.7
135.11665	0.4
136.01494	0.5
136.06163	1.7
137.04608	0.5
137.05907	0.4
137.09630	0.4
139.11116	0.3
141.05469	4.7
141.06592	0.4
141.06982	0.2
143.08582	0.7
145.10110	1.1
147.07806	1.0
147.11682	0.6
149.09584	0.8
151.03896	100.0
151.04974	6.4
151.12282	0.4
152.04262	1.1
152.05679	2.6
152.10684	4.9
153.04079	3.6
153.05997	0.5
154.02452	0.7
154.04338	0.3
157.10124	0.6
159.07928	0.4
159.11681	0.6
161.05989	0.5
161.09642	0.7
163.11154	0.6
167.08644	0.3
168.06540	1.4
169.13356	8.9
171.11591	0.3
175.07475	0.3
175.11121	0.3
175.14815	0.3
185.09546	0.4
187.07492	0.3
193.12073	0.3
197.12834	12.6
198.11276	0.7
201.38290	0.3
205.06458	0.2
209.09497	0.3
215.07109	0.7
215.13881	7.8
241.08725	0.4
245.18918	0.4
255.17381	0.3
259.09821	0.4
273.18445	2.1
279.09790	0.4
280.08020	0.4
291.19635	0.6
297.10837	1.1
303.17807	1.7
309.11288	0.6
321.14771	0.7
341.54691	0.3
347.16043	0.8
347.45331	0.3
364.69498	0.4
365.10187	0.5
365.13538	0.6
365.17307	1.4
365.23914	2.2
366.21613	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46430	0.7
51.23177	0.7
53.03932	1.9
55.01856	2.8
55.05507	4.9
55.93521	8.7
56.94302	3.9
56.96551	1.0
57.03431	6.0
57.07059	1.2
67.05502	10.7
69.03415	1.9
69.07065	25.2
69.84997	2.4
69.85410	2.4
70.75025	0.7
70.95860	7.3
71.04980	0.8
71.93001	1.9
72.08134	1.0
72.93783	21.1
73.94548	1.2
79.05489	11.3
81.03410	5.6
81.07045	12.1
83.04980	1.6
83.08607	2.6
85.06551	1.9
88.96915	4.3
89.94022	1.1
90.94827	14.4
91.05475	11.9
93.07039	7.0
95.04951	4.8
95.08593	4.9
97.02903	1.4
97.06538	1.1
97.10136	1.7
98.20741	1.6
105.07020	7.8
107.04944	3.4
107.08571	4.9
108.95855	7.4
109.06510	4.5
109.10135	2.2
113.06004	1.8
113.96400	2.2
116.96382	1.8
117.07008	4.2
119.08613	3.9
121.06467	1.1
121.10124	2.6
123.08031	1.6
125.09626	2.0
125.96107	1.2
126.98440	1.2
127.07565	2.2
128.06218	0.9
128.96344	3.7
129.07013	3.1
130.97905	3.7
131.08571	3.2
131.98724	1.1
133.10106	2.8
134.97400	2.1
134.98894	1.0
135.08002	1.9
136.95267	1.2
138.98393	4.0
140.99916	1.1
141.06921	1.1
142.97919	2.3
143.08539	2.0
144.95761	0.9
144.99445	4.2
145.10106	2.6
146.97362	3.7
147.07933	1.4
147.11702	2.2
148.98965	5.9
149.00458	1.1
150.96884	2.4
150.98404	2.0
151.02051	2.4
151.97697	1.2
152.98363	0.8
153.00000	1.2
154.97861	0.8
156.99472	2.5
157.10143	1.3
158.97388	2.3
160.06932	0.8
160.98904	1.3
161.09624	1.4
162.01283	0.8
162.96884	4.0
164.98621	1.3
164.99969	6.6
165.03714	0.8
165.97107	1.7
166.97858	4.0
168.99393	1.3
170.97375	1.6
171.01025	2.5
172.98970	3.5
173.13219	1.2
175.00549	1.3
175.02061	1.6
176.98451	2.9
178.97887	3.7
179.01474	1.8
180.99435	2.5
183.00969	1.4
183.98213	1.6
184.98953	4.7
186.01263	2.2
187.00516	3.8
189.03627	2.2
189.11325	1.0
192.99463	4.0
193.03099	1.0
195.01088	1.9
196.98940	2.2
197.02585	2.2
199.00566	2.5
199.02138	2.4
199.04134	1.1
200.02895	2.0
201.02045	1.1
201.03568	4.5
205.01376	1.1
207.01071	2.9
209.02550	1.2
211.00449	1.9
212.02850	1.8
213.01866	1.8
213.03674	4.1
214.04456	1.4
215.03473	4.8
215.05415	1.3
216.99550	0.9
219.00888	0.8
220.99011	1.3
221.02528	1.9
223.13300	2.0
225.03741	4.3
227.03297	1.0
227.05373	6.1
229.06808	1.1
233.02693	1.1
233.04765	1.2
235.04141	1.4
237.01973	1.3
239.05177	1.6
241.05121	3.3
247.00552	1.1
249.02286	1.0
251.03589	1.2
253.05144	8.6
255.06737	1.3
255.17433	0.9
259.06213	8.0
269.04578	1.0
269.08377	2.5
271.06250	58.4
272.06372	1.7
273.18454	3.5
275.07349	2.8
277.06821	1.4
279.08417	3.9
281.09692	1.5
282.08115	1.0
287.07556	0.9
289.09180	0.9
291.19504	10.3
293.08228	1.3
294.07874	6.3
297.07816	1.0
299.10956	2.5
301.12302	1.3
319.13663	1.1
327.10443	1.2
329.12003	3.4
345.11554	1.5
347.13016	100.0
348.13376	4.0
364.33127	1.5
365.14117	15.6
365.23010	7.8
388.15656	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	365.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16349	1.3
53.00291	1.4
53.03926	1.9
54.22180	1.1
55.05513	9.8
55.11055	1.2
55.93515	10.0
56.94293	4.6
56.96473	1.2
57.07074	31.6
58.07397	4.5
60.63795	1.3
67.05502	11.4
69.03404	1.8
69.07063	79.8
70.04070	18.1
70.07390	8.4
70.07835	15.3
70.33746	4.3
70.95854	11.4
71.08159	2.9
71.92980	2.3
72.93781	24.7
79.05482	9.0
81.03413	4.1
81.07063	6.2
83.04866	3.6
88.96891	6.2
90.94814	17.5
91.05491	7.1
93.07027	5.1
95.04974	2.5
95.08609	2.8
97.06504	2.0
98.20856	1.6
101.09651	2.5
105.07001	5.8
107.04965	1.7
107.08587	4.8
108.95851	5.4
110.03522	9.5
111.03834	1.6
113.96396	2.1
115.07567	18.2
116.07881	2.3
116.96349	3.7
117.07001	1.7
119.08540	1.8
121.10126	1.5
126.35204	1.2
126.98409	3.0
128.96361	7.1
129.07004	2.0
130.97905	3.4
131.08588	2.5
131.97470	1.9
131.98663	1.9
132.95834	1.3
134.97375	2.3
134.98840	1.8
136.95366	1.2
138.98409	4.8
140.96230	1.3
142.97906	3.0
144.95811	3.1
144.99457	4.7
145.10075	1.5
146.97380	5.3
148.98900	5.9
150.96861	1.7
150.98439	1.9
151.02045	3.5
154.97891	2.7
156.99478	1.9
158.97397	3.2
159.00984	2.0
160.98990	1.7
162.96869	2.8
164.99988	5.8
165.03583	2.3
165.97107	2.3
166.97905	5.7
168.91881	12.3
168.99472	2.2
169.92172	6.4
170.91571	21.5
170.97366	1.9
171.00993	2.4
172.98981	3.9
174.96471	1.8
175.00513	1.8
176.98445	4.3
178.97897	3.5
180.99443	2.4
183.98207	2.8
184.93130	2.4
184.98935	3.7
186.01180	1.8
187.00500	3.5
189.03633	2.2
192.99365	3.0
195.01067	2.1
196.91365	38.1
196.98943	1.9
197.02582	2.7
197.91681	23.4
198.91063	59.9
199.00475	2.9
199.02142	1.9
200.02777	1.8
201.03612	5.3
203.01642	1.6
205.03053	1.6
207.00977	1.7
209.02635	2.5
210.92892	5.3
211.00529	1.4
211.93266	3.9
212.92604	10.9
213.01942	1.5
213.03722	2.6
215.03635	7.9
215.05423	1.7
221.02438	1.4
225.02011	1.8
226.94228	1.3
227.03502	2.3
233.02568	2.1
233.04651	2.3
235.04413	1.4
235.51199	1.2
241.05229	3.9
245.04654	2.2
251.03590	2.5
253.05136	13.9
259.06262	12.0
261.04190	1.4
266.32275	1.2
266.99164	18.8
267.97241	0.8
267.99506	48.9
268.98883	69.4
269.04843	2.6
269.08353	3.2
271.06259	100.0
272.06537	3.6
273.18442	1.6
279.08359	2.0
281.09738	2.4
289.07269	6.0
291.19470	4.1
294.07764	9.0
297.07574	1.6
327.10535	1.2
329.11911	2.7
345.11551	2.8
347.13019	86.0
348.13309	5.2
365.02133	2.9
365.14127	21.4
365.23233	5.2
366.01620	4.7
388.15631	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	365.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.1
56.96550	4.4
60.04515	5.5
61.01139	36.9
67.05480	3.2
68.89523	2.9
69.07047	3.6
70.06583	18.5
71.58962	4.0
72.04509	22.7
72.08123	4.5
73.02908	3.8
74.02419	3.5
76.63829	2.4
78.03781	18.8
84.04495	10.7
84.08135	10.1
85.02903	4.8
86.06041	8.1
86.09702	6.9
87.00816	17.7
88.02196	4.5
91.05453	4.4
95.04964	4.3
96.08112	3.7
98.06004	3.7
98.97579	4.0
99.05554	13.4
102.03737	23.6
103.02144	41.3
104.01676	2.8
107.04961	18.7
113.06018	5.0
114.03754	9.4
114.05518	63.6
116.01672	2.7
116.07067	3.1
116.98583	3.8
119.04930	6.2
120.04788	48.3
120.08079	15.2
121.02850	18.0
124.07534	3.8
126.05534	3.0
127.03930	3.9
129.10172	4.2
130.05016	8.7
131.06343	6.4
132.04774	19.0
136.06163	12.0
138.05482	8.3
142.08624	9.0
146.02718	14.6
146.05960	3.2
146.99873	3.0
147.01086	23.2
147.04417	13.7
147.05855	2.5
148.06187	6.1
149.07408	40.5
151.64461	2.4
159.05878	9.4
161.01213	3.1
164.03773	12.5
174.05803	9.6
175.05376	4.5
182.08075	4.3
184.09639	6.1
190.10892	24.6
191.07178	2.4
191.08478	65.9
194.17439	2.9
203.05165	3.0
203.08215	6.2
217.06381	9.8
218.04790	2.9
234.13498	22.3
234.99121	3.1
235.05087	6.0
235.07454	100.0
245.05740	3.6
245.11357	4.0
261.12558	3.1
303.13651	29.9
347.12646	23.2
365.05777	3.4
365.12085	30.5
366.17599	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	365.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.7
55.01859	1.4
55.05506	2.2
55.93522	4.8
56.94286	2.5
56.96546	1.4
57.03416	3.1
61.53254	0.7
67.05504	4.6
69.03424	1.0
69.07049	3.0
69.66129	4.7
70.04058	1.5
70.06583	1.7
70.95562	0.8
70.95872	7.2
71.06904	0.7
72.93782	13.6
74.95386	0.9
79.05116	0.7
79.05497	7.8
81.03405	2.2
81.07058	4.7
83.04971	0.8
85.06499	0.8
88.96877	2.8
90.94822	9.7
91.04961	0.9
91.05474	7.4
93.07037	4.2
95.04946	2.2
95.08600	1.5
97.02869	0.7
98.21444	1.4
105.07024	4.5
107.04930	3.2
107.08572	2.9
108.95856	3.8
109.06494	2.2
113.06009	1.3
113.96363	1.3
115.05450	0.8
116.96350	1.5
116.98660	1.1
117.07001	2.0
119.08564	2.9
121.06517	1.1
121.10159	0.9
126.98451	1.7
128.96329	2.3
129.06976	2.2
130.97903	1.9
131.08533	2.4
132.03284	0.7
133.10120	0.8
134.97369	2.1
134.98924	1.0
135.08054	1.8
136.24554	0.7
136.95334	1.6
138.98352	4.2
141.06953	0.9
142.97867	1.3
143.08549	3.4
144.99461	3.6
145.10103	1.1
146.97351	2.7
148.99004	1.7
149.00494	1.0
149.09564	1.0
150.96915	1.9
150.98422	1.5
151.02016	1.2
151.97690	0.8
152.96388	0.8
154.97859	0.8
155.08586	1.4
156.99501	1.1
159.01028	0.9
159.11707	0.8
160.98956	2.3
161.09610	0.7
162.96887	1.2
163.00523	0.8
164.99950	5.1
165.93356	0.8
165.97083	1.3
166.97902	2.0
168.99419	1.6
170.97374	1.2
171.01041	0.8
172.98932	2.1
175.00548	1.6
175.01944	1.1
176.98444	1.5
178.97920	3.4
179.01511	1.6
180.99451	1.8
183.98116	0.7
184.98924	3.2
186.01208	1.8
187.00490	2.7
187.02008	1.0
189.03574	1.2
192.99469	3.2
194.97575	0.8
195.01004	1.1
195.04683	0.9
196.99034	1.1
197.02635	0.9
199.00455	1.6
199.02089	1.7
200.02800	1.5
201.03577	3.5
205.03197	1.0
207.01053	1.8
211.00670	1.2
213.03613	2.2
217.02911	0.8
219.01100	1.0
220.99069	1.3
221.02682	1.0
223.04095	1.2
227.05296	1.9
231.01129	1.0
233.02596	1.3
235.00534	1.0
241.05042	3.9
247.08475	0.8
249.05824	1.2
253.07147	1.0
255.06557	1.6
257.04681	1.2
259.06284	10.0
261.04199	1.7
261.10242	0.9
264.05804	0.8
271.06351	1.7
273.18506	1.6
277.06738	2.3
279.08270	4.6
281.09967	3.5
282.07843	0.9
285.10077	2.1
291.19504	2.7
299.10941	1.0
301.28851	0.9
302.29434	1.3
305.08398	2.4
323.09329	1.1
327.10345	1.0
329.11826	3.7
345.11493	3.0
347.13016	100.0
348.13242	2.7
364.33072	4.9
365.14102	38.5
365.23303	2.6
365.29379	0.7
365.33463	3.9
388.15674	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	365.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92289	0.6
56.96552	0.7
63.61047	0.7
64.20578	0.6
70.65853	2.0
70.80516	0.6
77.69892	0.5
79.20587	0.5
79.64932	0.7
86.59942	0.6
93.99516	0.6
98.97604	1.1
116.28397	0.6
116.98646	0.9
119.01912	1.8
125.75751	0.6
131.01895	0.8
133.03439	1.0
161.02985	1.3
173.02977	1.7
177.42235	0.7
184.97484	0.7
185.04204	17.9
203.05254	38.9
235.01013	0.7
245.05089	2.5
253.06557	0.6
263.01044	0.7
263.06171	0.7
365.10538	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.6
56.05050	1.9
60.04515	2.8
67.05496	1.0
68.05032	1.0
69.03418	1.1
69.07065	0.9
69.97476	4.8
70.06594	25.3
70.31670	0.8
71.06914	1.6
72.08151	12.2
73.02916	1.3
74.06074	1.3
77.71014	0.8
83.06112	0.9
84.04503	5.5
84.08147	23.6
85.02892	2.9
85.08502	1.0
86.06081	1.4
86.09708	9.6
87.04434	1.0
91.05488	2.6
93.56456	0.7
95.25746	0.7
97.02914	1.0
98.97610	1.1
102.05571	0.9
103.05496	2.1
107.04915	2.0
110.07158	6.3
112.11250	1.3
116.07115	1.5
117.96104	0.9
120.08109	20.1
121.08430	1.3
128.98627	0.9
129.10236	11.7
130.04984	1.6
130.06506	1.0
130.10550	1.1
131.04933	1.4
136.07617	1.5
138.50075	0.9
144.99615	0.9
177.03186	0.9
185.04234	4.4
190.10881	1.2
202.06084	1.3
237.02895	1.8
268.12881	1.0
365.12094	100.0
366.12314	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	365.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	10.9
60.04495	2.7
69.69279	11.7
69.69682	3.9
70.06584	19.2
72.08138	8.6
81.03437	4.4
81.07029	3.7
84.04492	8.2
84.08130	13.1
85.02866	4.4
86.09681	4.7
91.05451	2.4
97.02905	3.5
98.15973	2.5
98.97530	3.1
107.04949	18.1
109.06506	3.1
110.05996	3.2
114.05490	3.2
116.07063	3.7
116.98582	7.1
118.13075	2.6
119.04929	3.5
120.08144	4.5
121.02862	14.2
127.06144	4.6
128.98625	2.5
129.10213	6.4
130.04959	2.6
134.99661	5.4
138.05453	3.5
145.60391	2.7
146.99661	6.0
147.04382	5.5
163.03882	4.9
182.08150	4.5
185.04216	69.9
191.06970	4.1
203.03143	17.4
203.05113	4.1
203.65399	2.5
219.01764	3.3
235.07474	4.3
237.02864	5.9
239.02283	7.2
245.11267	4.0
257.03162	3.4
292.39340	2.7
353.66174	2.8
365.08459	100.0
383.06741	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	365.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.6
56.96555	1.1
64.13188	0.5
67.05499	0.6
67.39606	0.4
69.07072	0.8
69.92439	2.6
70.06585	2.6
70.95844	0.9
71.04986	0.5
72.08127	1.8
72.93777	0.7
76.26825	0.4
79.05482	0.8
81.03368	0.8
81.07023	0.8
84.04488	0.5
84.08115	2.0
85.02882	1.1
86.09724	2.4
91.05451	1.7
93.07059	0.6
95.06056	1.1
98.20778	1.0
98.97565	0.9
102.05570	0.6
105.07071	0.5
107.04946	6.5
110.07134	0.9
110.97490	0.6
113.44639	0.5
114.98424	1.6
116.98650	0.7
123.04363	0.6
129.10205	0.6
130.05005	0.9
132.95805	0.9
132.99490	1.1
134.99628	0.6
137.08315	0.7
139.53247	0.5
140.14059	0.5
146.11572	0.5
148.99023	0.5
150.96822	2.5
150.99084	1.2
158.97397	0.8
160.98956	4.6
162.02185	0.9
162.96857	0.6
170.06299	1.2
171.00531	1.7
179.00034	5.0
185.04210	6.8
190.96504	0.6
193.00194	1.2
203.03139	100.0
204.03491	2.2
205.01654	0.5
218.99527	4.4
223.01350	0.6
234.98964	1.6
237.02736	0.6
244.05928	0.9
245.09261	1.0
249.00533	1.0
259.10892	1.3
259.20151	0.8
263.10172	0.9
278.81876	0.5
279.59137	0.5
287.10275	0.8
292.99634	0.6
295.03384	0.9
305.11407	2.0
323.12354	0.7
333.10870	0.6
336.87720	0.5
365.08426	26.5
365.13290	2.3
365.20746	1.0
366.08383	0.6
383.08466	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.4
55.05270	1.9
55.05512	33.4
57.07055	3.5
57.68420	1.4
60.08149	4.5
62.17292	1.3
64.07053	2.1
65.03927	3.5
67.05505	70.8
69.06733	2.2
69.07072	29.3
69.57158	1.6
70.12875	6.2
71.04980	3.6
73.02908	3.4
77.39022	1.4
79.05492	48.0
79.60389	1.3
81.07057	62.3
83.08613	9.2
85.06502	2.2
86.09739	1.5
89.26791	1.3
91.05483	16.6
91.45028	1.5
93.07043	52.2
95.04967	5.7
95.08602	42.0
97.10160	4.4
99.04451	3.1
104.65533	1.4
105.04476	2.0
105.07030	9.4
107.08598	23.8
109.10139	12.9
119.08560	6.5
121.10149	17.4
123.08103	1.6
123.11736	2.8
131.08595	2.1
133.10118	2.6
135.11678	8.1
137.22168	1.4
145.10106	2.1
147.11707	3.4
149.13231	5.7
159.11739	2.4
162.95636	1.5
163.14771	2.5
164.71014	1.3
177.16333	1.9
305.24731	95.2
306.47488	1.5
311.26129	1.6
364.32089	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.7
55.01842	1.4
55.05511	32.2
57.03423	0.9
57.07046	2.1
58.83332	0.7
60.08164	5.1
65.03905	2.9
67.05503	69.2
68.05789	0.7
69.07067	27.0
69.46379	3.4
69.46809	2.6
71.04965	2.3
73.02881	1.9
74.32238	0.7
79.05492	44.6
81.07056	54.8
83.04947	1.8
83.08620	10.1
85.06517	1.3
86.09674	1.6
87.04470	0.9
91.05481	19.1
93.07040	46.7
95.04454	0.6
95.04974	4.8
95.08603	38.4
97.02880	0.8
97.06493	2.2
97.10155	3.2
98.20789	1.3
99.04456	3.8
99.08005	0.9
101.06023	0.8
105.04507	0.9
105.07028	9.4
107.07890	1.2
107.08590	23.4
109.06483	2.7
109.10148	11.6
111.08030	0.7
117.06989	2.2
119.08553	6.4
121.09324	1.0
121.10136	16.7
123.08039	1.6
123.11729	3.3
125.09621	0.8
131.08511	2.4
133.10136	4.5
135.07977	0.8
135.11679	7.5
145.10101	1.6
147.11659	2.5
149.09549	0.7
149.13245	4.9
161.13339	0.9
163.11227	0.7
163.14775	2.3
173.13158	1.0
175.14824	1.3
177.16403	1.0
180.19986	0.7
187.14824	0.8
188.52705	0.7
277.21747	0.9
305.24728	98.8
306.25009	2.6
364.32080	100.0
365.32327	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69736	0.4
55.01878	0.5
55.05503	2.0
57.07071	4.5
65.03949	0.6
67.05502	8.7
68.05030	0.6
69.03424	4.7
69.07063	11.6
69.95216	1.7
70.07390	0.4
70.07855	0.5
71.08646	0.5
77.03935	0.4
79.05488	5.6
81.07046	7.3
83.04969	0.7
83.08626	0.7
85.02779	0.4
85.06519	0.6
86.06062	100.0
87.04461	18.5
87.06399	0.8
89.06034	0.6
91.05463	3.8
93.07044	7.8
95.04960	2.5
95.08601	6.4
97.06535	0.5
98.21453	0.5
98.99992	0.5
103.05523	0.6
104.07098	25.2
105.07018	8.9
105.07671	0.8
106.07457	0.4
107.04913	0.5
107.08585	5.4
109.06520	0.7
109.10126	3.1
113.01530	0.5
115.07560	1.2
117.07024	0.8
119.08575	3.8
121.06481	0.8
121.10149	4.8
122.07126	0.7
123.08063	0.6
123.11710	1.1
126.99492	0.9
129.01035	1.5
129.07013	0.9
131.08553	2.8
133.06448	0.4
133.08640	0.4
133.10110	2.1
135.08096	1.0
135.11697	2.4
140.08112	0.4
141.01027	1.8
142.07811	0.6
143.08563	1.9
145.10118	2.5
147.08055	0.6
147.11668	1.2
149.09627	0.9
149.13278	1.2
155.08563	0.5
156.09311	0.8
157.10138	1.8
159.08038	0.5
159.11676	2.3
161.13287	1.2
163.11186	0.6
163.14784	0.7
165.09157	0.8
169.10081	0.7
171.11664	1.4
173.13313	1.5
175.14742	0.4
179.08542	0.5
181.10054	0.5
183.11713	0.9
185.13248	1.4
187.14825	0.7
193.12296	0.6
195.11713	1.2
196.12602	0.5
197.07288	5.7
197.13231	0.8
207.11606	0.8
209.13152	1.0
221.13261	0.9
223.14755	1.0
236.14029	0.6
243.21140	1.0
251.17973	0.5
261.22095	3.9
263.17947	0.6
265.15961	0.4
266.99185	0.5
347.23801	1.4
364.14001	3.0
364.17966	1.0
364.28510	2.3
365.14639	0.7
365.24487	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	364.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.2
53.03938	0.4
55.05500	0.4
57.07071	0.8
67.05499	0.7
69.07059	1.0
70.85172	0.4
70.85474	0.4
79.05485	2.5
81.07072	0.4
89.06013	0.3
90.30871	0.2
91.05477	1.7
93.07036	0.8
95.04964	1.2
95.08595	0.4
97.10141	0.2
103.05451	2.4
105.07027	100.0
106.07355	1.1
107.04942	0.5
107.08598	0.4
108.85687	0.2
117.07036	0.4
119.04979	1.2
119.08596	1.5
121.06493	2.2
129.06984	1.2
131.08578	0.7
133.10153	0.4
135.08087	0.4
145.06473	0.4
145.10208	0.4
147.08046	6.2
149.09613	5.6
157.10193	0.3
163.11160	0.7
165.09108	11.1
173.09590	0.4
191.10660	0.8
197.13179	0.2
223.11046	0.3
225.12729	1.8
241.12239	0.4
251.14262	1.4
291.19623	0.5
364.15805	0.5
364.22546	1.3
364.32324	0.3
365.23657	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64240	1.5
53.03925	1.5
55.01883	1.3
55.05499	5.6
56.05032	5.0
56.96553	2.8
57.03432	2.6
58.06600	1.9
60.04531	2.3
62.06083	21.3
64.26456	1.4
67.05494	9.6
68.05016	3.5
69.03430	4.0
69.07047	5.1
70.02942	1.5
70.04060	3.9
70.06582	43.2
71.04988	3.2
71.59450	2.8
72.04507	13.4
72.08146	7.3
74.06073	5.8
75.17704	1.4
79.05482	10.1
80.04990	4.2
81.03405	20.6
81.07050	13.5
82.06571	5.4
83.04968	3.3
83.08608	5.2
84.04494	5.1
84.08115	9.1
85.02903	3.8
86.06047	8.8
86.09697	5.3
86.32254	1.4
87.04456	6.8
88.07627	4.6
91.05482	8.6
93.07029	11.7
94.06542	3.4
95.04951	6.3
95.06081	5.2
95.08621	7.7
96.04498	1.7
96.08118	2.8
97.02877	1.7
97.06516	5.8
97.10134	2.0
98.06052	18.3
98.97541	1.4
100.07603	4.4
102.05500	1.7
103.05460	1.6
104.07079	4.9
105.07021	5.0
106.06525	1.9
107.04939	16.6
107.08601	3.7
109.06532	2.2
110.07179	4.5
111.08083	2.0
112.07600	6.3
112.08749	2.2
114.05546	1.8
114.09126	1.9
116.07092	9.9
117.06907	1.3
119.04910	3.1
119.08588	2.2
120.08118	4.2
121.06480	2.1
121.10131	4.3
124.07590	5.0
126.09174	2.3
129.07007	2.0
129.10197	3.5
131.04938	1.8
133.10098	2.3
136.06152	1.5
138.05522	2.4
138.12749	2.0
145.06418	1.7
146.06015	2.3
147.04379	9.4
147.08008	2.2
147.11615	2.2
149.09637	4.9
152.05737	2.3
157.10077	3.1
158.08102	2.8
162.96815	1.4
170.08139	1.4
171.11304	2.1
182.15392	6.4
190.08603	4.4
191.06924	2.0
192.13741	2.9
193.12222	19.4
199.10806	2.7
210.14871	47.5
211.13293	3.5
226.17917	3.2
228.15941	11.7
230.13812	1.7
234.98982	4.0
236.16411	4.3
237.02698	1.8
254.17534	6.6
258.17026	2.1
263.13971	4.6
267.15881	12.7
284.18561	3.4
285.16937	14.4
292.99527	1.6
302.16177	2.8
302.19620	42.5
320.16983	5.9
320.20654	12.8
328.20990	3.4
346.18500	6.2
346.22198	100.0
347.22537	2.8
364.10645	3.1
364.15253	3.1
364.19257	6.7
364.26254	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2118
Annotation	Consiculine
Peak:m/z	Relative Intensity
53.03942	2.0
55.01874	2.4
55.05502	1.8
57.03426	1.4
61.02916	1.0
65.03922	0.6
67.05504	7.9
69.03421	0.7
69.07056	2.3
70.00362	2.2
70.06608	0.5
70.95838	0.5
71.04981	0.9
72.08150	1.2
77.03898	0.6
79.05493	8.2
81.03423	4.9
81.07056	8.4
83.04984	3.0
83.08633	0.8
85.02901	1.7
85.06550	0.6
91.05475	13.2
93.07045	18.1
95.01340	1.6
95.04963	9.1
95.08598	2.4
96.04520	0.6
97.02861	0.9
97.06512	3.7
98.21562	0.6
103.05461	8.0
105.04498	1.2
105.07021	3.6
107.04950	20.0
107.08601	3.5
109.06516	1.7
109.10156	1.0
111.04457	2.5
111.08070	1.0
117.07009	3.3
119.08547	3.3
121.06499	100.0
121.10133	5.3
122.06795	2.5
123.04409	1.0
123.08085	0.7
129.05525	0.5
129.07014	1.5
130.38301	0.5
131.04938	1.4
131.08565	3.0
133.10143	1.2
135.08087	1.0
135.11694	4.5
136.07579	1.0
137.05960	1.5
138.09135	9.0
143.08551	1.1
145.06494	2.1
145.10127	7.5
146.10477	0.6
146.32681	0.5
147.08037	1.3
149.09602	2.1
153.12737	0.8
155.08578	2.4
157.10126	0.6
161.09683	0.9
163.11174	7.7
173.09618	8.7
181.12251	1.7
185.88658	0.5
191.10664	5.7
193.12256	1.2
208.13319	1.6
209.11778	1.2
226.14372	4.4
227.12659	3.8
232.16885	0.6
273.18503	1.3
275.05756	0.6
285.10184	0.7
293.18604	0.5
321.11426	1.3
328.18829	3.2
346.20114	76.4
347.20422	4.1
364.15411	3.7
364.21118	2.1
364.25183	1.8
365.15314	0.7
365.19357	2.3
365.23288	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01863	5.8
55.05500	4.8
56.12342	0.5
56.96567	1.3
57.03424	2.3
57.07070	0.9
59.04997	0.7
60.01369	0.5
60.04510	0.8
61.02888	0.6
65.03951	1.1
67.05166	0.8
67.05500	13.3
69.03417	1.1
69.07061	4.6
70.06567	1.7
70.58803	1.8
71.04979	2.4
72.08142	2.2
72.93795	0.9
73.02917	1.2
79.05486	8.9
81.03411	3.4
81.07051	9.9
83.04974	17.0
83.08634	2.9
84.04487	0.7
84.08141	0.8
85.02888	2.6
85.06522	1.5
86.06056	0.6
86.09696	0.8
87.04458	1.6
89.19327	0.5
91.05479	11.1
92.05788	0.6
93.07039	15.4
95.04975	5.0
95.08591	5.3
96.08913	0.7
97.02871	1.2
97.06518	4.2
97.10163	1.3
98.97531	0.6
99.04448	2.3
99.08089	1.3
103.05468	3.4
105.07018	4.8
106.35887	0.5
107.04948	10.6
107.08580	5.7
108.95754	0.5
109.06499	1.4
109.10143	4.8
110.05988	0.5
110.09737	0.5
111.04436	30.8
111.08067	10.0
111.94447	0.5
116.98646	0.5
117.07000	2.7
119.04919	1.2
119.08579	5.0
120.08123	0.9
121.06494	100.0
121.10117	6.2
122.06036	0.6
122.06843	1.7
123.08035	0.7
123.11662	0.6
125.05991	2.1
129.05524	0.8
129.06973	1.1
129.98093	0.5
131.08539	3.6
133.10092	1.7
134.09677	0.9
135.07985	1.2
135.11676	8.6
136.07602	0.7
137.05962	7.8
137.09583	0.7
138.09125	28.1
141.47499	0.5
145.06436	0.8
145.10101	7.8
147.08122	1.1
147.11716	3.1
149.05878	0.6
149.09596	2.3
153.12735	10.7
155.08530	1.2
157.10106	0.7
161.09613	0.9
163.11159	16.8
169.02625	0.6
173.09592	3.8
175.11246	0.6
176.07050	0.9
176.96873	0.8
181.12209	17.2
182.12498	0.9
191.10652	17.2
193.12282	1.2
194.93398	0.9
198.09087	0.8
208.13319	0.7
209.11684	6.6
210.08954	0.9
211.10002	0.6
211.13232	0.9
227.10510	1.2
227.12770	23.6
228.13298	0.6
242.17552	0.7
260.20081	1.2
273.18503	1.2
278.15390	0.8
290.81073	0.6
293.18628	1.2
299.05231	0.5
302.17343	2.8
303.13446	0.7
304.13428	0.7
318.20602	0.9
328.19095	1.3
329.17392	2.3
346.20105	40.0
347.20361	1.2
349.13049	0.6
364.15378	10.3
364.21057	7.8
364.25113	4.8
365.15726	0.8
365.19431	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89865	0.7
52.05067	0.7
55.05500	2.4
57.07082	22.9
67.05495	1.7
69.07070	80.7
70.07851	3.9
70.65837	2.3
81.07047	1.6
85.06512	0.9
86.06057	1.9
89.06065	1.0
90.57112	0.7
97.06402	3.2
99.00021	2.4
99.14812	0.9
102.41178	0.7
103.03124	1.3
105.07043	1.4
111.07748	0.7
113.01544	1.8
113.17065	0.6
115.07573	9.2
121.06493	1.2
124.03902	0.7
126.99491	8.3
129.01041	11.0
140.11841	3.0
141.01028	15.2
143.23637	0.8
153.12614	2.8
155.02591	6.8
180.11322	5.0
185.11603	3.0
189.10268	0.7
197.07283	37.2
225.06754	1.4
237.18394	4.1
364.17868	100.0
365.18158	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	364.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41102	0.2
53.03941	0.2
55.01873	0.4
55.05509	0.9
56.05043	0.2
57.03441	0.2
67.05500	1.4
67.05811	0.2
69.03447	0.4
69.07072	0.4
69.93465	0.7
69.93892	0.3
70.06591	0.8
70.31828	0.2
71.05003	0.3
72.08154	0.6
79.05499	1.5
81.03418	4.1
81.07052	1.1
83.04982	0.7
83.08618	1.3
84.04500	0.3
84.08154	0.2
85.02899	0.6
85.03364	0.2
85.06564	0.2
86.09661	0.3
91.05481	2.0
93.07026	1.1
94.04051	0.5
95.04957	1.5
95.06082	0.6
95.08607	0.4
97.06532	0.5
97.10165	0.3
103.05474	0.2
105.07038	1.2
107.04945	2.4
107.08581	0.7
109.06524	0.2
109.10140	0.2
110.07172	0.2
111.08076	0.5
115.05454	0.2
117.07061	0.2
119.03536	1.2
119.08606	0.9
120.08117	0.3
121.06496	0.9
121.10151	0.6
129.07010	0.7
131.08571	0.6
133.06497	0.3
133.10121	0.6
136.06181	100.0
137.04614	1.4
137.06502	1.0
142.07770	0.2
145.10133	0.3
147.11681	0.6
149.09538	0.4
150.07709	0.4
152.05675	4.8
153.04106	0.5
157.10178	0.9
161.05930	0.3
164.06955	0.3
164.09569	0.2
166.08710	0.2
172.03790	0.2
174.07771	1.5
175.11143	0.9
177.07748	0.3
178.08636	1.3
186.07849	0.2
190.13448	0.4
190.34863	0.2
191.70288	0.2
193.12195	1.6
198.09308	0.2
210.14909	0.2
211.13242	1.8
231.12181	0.2
258.11240	0.2
273.13522	0.3
282.29608	0.2
302.17462	2.1
305.57703	0.2
310.16556	0.5
319.12997	0.2
320.18488	0.6
320.23077	0.4
325.11743	0.3
328.17590	0.6
335.12552	0.2
346.18805	2.2
364.19717	31.6
365.19922	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2639
Annotation	13alpha-(Caproyloxy)lupanine
Peak:m/z	Relative Intensity
53.03941	2.3
55.01857	1.4
55.05517	14.9
56.05019	6.1
57.07065	2.6
58.06594	3.7
58.41083	1.6
60.04508	6.2
64.99865	1.4
65.03936	1.6
67.05502	91.1
68.05033	6.9
69.07066	16.0
69.79572	2.7
69.79978	5.9
70.02940	6.3
70.06570	6.8
72.04494	1.8
72.74877	1.3
73.02884	2.5
74.02449	2.5
79.05495	38.6
80.04992	4.0
81.06588	3.3
81.07055	63.5
82.06567	5.7
83.08614	7.4
84.04478	4.3
84.08127	5.6
86.02421	2.3
86.57732	1.4
87.05073	2.1
87.05580	29.3
88.03989	8.2
91.05474	27.9
93.06481	2.6
93.07041	39.3
94.06533	3.6
95.04936	6.9
95.08605	56.1
96.08105	5.4
97.10200	1.8
98.09694	2.3
99.00812	3.5
100.03949	3.9
102.05514	2.2
105.07024	20.9
106.06512	1.9
107.08595	23.2
108.04476	3.1
108.08092	3.2
109.06505	2.2
109.10146	24.8
110.05981	1.8
110.09660	5.3
114.05497	4.5
117.07011	7.6
119.08593	14.2
120.08127	1.7
121.10149	16.8
122.09667	3.3
123.11710	5.6
124.11250	4.2
126.05489	3.2
128.03421	2.8
128.07066	2.1
131.08578	8.5
133.10130	12.8
134.09685	1.9
135.11697	13.3
136.11174	3.3
137.13245	1.9
138.12779	2.1
143.08546	3.5
145.10130	5.6
147.11658	9.5
148.11176	4.4
149.13255	7.9
150.12741	2.5
154.04997	6.5
154.67728	1.6
159.11655	5.2
161.13240	6.0
162.04486	1.6
162.12851	1.7
173.13309	4.2
175.14818	3.7
189.16368	2.4
196.13351	1.4
203.17877	2.0
229.19518	3.3
231.21147	7.7
248.23721	5.4
258.22220	12.4
260.23691	6.2
271.16666	1.8
274.25348	8.3
292.11630	1.8
300.23111	4.7
302.24512	2.2
304.22787	7.4
317.25854	13.5
318.24356	2.2
319.27374	5.1
346.23499	2.3
363.21402	14.5
363.26337	100.0
364.26709	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	363.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97845	1.7
55.05497	8.1
57.07057	4.9
67.05496	7.9
69.07076	12.7
70.42185	3.6
70.42583	4.2
71.08623	2.0
79.05493	4.4
81.07060	13.7
83.08620	5.0
91.05441	2.3
93.07052	8.6
95.08609	11.1
97.06479	2.2
105.07036	2.5
107.08590	5.3
107.90179	1.7
108.14721	2.0
109.06517	9.4
109.10149	7.5
111.08086	3.8
119.08585	5.5
121.10114	4.7
122.27503	1.9
123.08066	66.5
123.11709	2.1
131.08546	2.0
133.10081	3.4
135.08028	6.7
135.11681	3.3
137.09686	4.3
137.13229	2.3
146.38824	2.0
147.11742	2.6
149.13264	3.0
166.72308	1.7
173.13191	1.9
179.14331	15.3
307.22711	11.3
331.26331	8.1
363.28928	100.0
364.29236	3.4
373.10272	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	364.019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00271	0.4
55.01851	0.4
55.05507	5.4
55.93486	0.3
57.07074	23.2
62.96381	0.8
67.05482	1.5
69.07064	44.3
70.04079	3.2
70.07412	1.0
70.07845	14.3
71.59460	0.4
72.08121	0.5
72.91909	0.3
79.05477	0.8
81.07040	0.8
82.04055	4.4
83.04841	36.2
83.92117	0.4
84.98432	0.5
86.06065	0.7
87.08099	0.4
87.93722	0.4
88.07597	1.5
90.60210	0.3
91.05474	0.4
93.07011	0.6
97.06504	0.9
105.06932	0.4
110.03520	18.5
115.03781	0.6
115.07557	12.5
125.05845	4.2
145.96858	1.1
147.96518	2.0
152.08141	0.9
167.10536	34.7
168.10864	0.6
168.91869	32.9
172.96648	1.0
174.96500	1.8
182.93457	2.5
194.91560	0.5
195.92053	0.5
196.91356	100.0
197.91704	1.2
208.92487	1.4
210.92923	13.7
224.88506	0.4
224.94460	2.4
232.02383	0.6
245.46950	0.4
265.99722	0.5
266.99170	78.4
267.99530	1.7
271.28409	0.7
346.11823	1.7
363.21198	0.8
363.33035	4.2
364.01920	35.2
364.12711	1.1
364.21509	1.0
364.33200	0.9
365.02167	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.6
55.01886	2.5
55.05510	20.9
56.05045	9.6
56.96556	6.0
57.03415	2.6
57.07079	3.5
58.06601	3.1
59.62269	2.1
60.04514	6.3
65.03939	2.7
67.05506	92.1
67.27180	1.9
68.05023	5.6
69.07066	16.8
69.53155	17.1
70.02946	7.7
70.06577	9.1
73.02907	2.6
74.02443	5.3
79.05063	3.5
79.05493	53.4
80.05016	5.7
81.07058	77.2
82.06581	4.3
83.08617	7.0
84.04509	2.8
84.08138	7.8
86.02419	2.8
87.05590	27.8
88.03976	10.2
91.05478	34.6
93.07040	49.9
94.06570	4.1
94.56970	2.1
95.04953	4.9
95.08607	60.6
96.08143	6.5
97.10181	4.3
98.20835	4.0
100.03992	2.8
102.05571	3.0
105.07033	28.1
107.04952	2.8
107.08593	26.0
108.04455	3.0
109.06512	2.0
109.10146	23.6
110.09682	5.7
112.11221	2.2
114.05534	5.2
117.07025	8.4
117.72537	1.8
119.08593	17.1
120.08052	2.1
121.10146	18.4
122.06039	2.0
123.11708	6.2
124.11212	5.6
126.05481	3.1
129.07011	3.9
129.99933	2.1
131.08574	11.6
133.06175	3.4
133.10117	18.4
135.11691	14.7
136.11168	2.9
137.13268	3.3
142.80902	2.2
145.10135	10.3
147.08076	2.4
147.11671	11.5
148.11090	2.2
149.13268	11.9
154.04977	6.8
157.10126	2.3
159.11697	5.9
161.13222	5.2
162.12726	2.4
163.14819	4.2
165.99493	2.0
171.11676	3.2
173.13237	3.7
174.12949	2.0
175.14818	5.5
176.14374	2.1
178.16045	1.8
184.07272	2.5
187.14818	2.2
229.19537	3.2
231.21054	8.9
248.23775	16.5
258.22150	11.4
260.23782	6.7
271.17014	2.1
274.25235	8.6
286.77734	1.9
289.18103	4.7
300.23206	5.1
302.24857	3.2
304.22748	7.4
317.25879	15.9
317.29422	2.7
319.27560	5.5
331.15720	3.8
349.16858	7.9
363.21408	48.2
363.26392	100.0
363.33109	4.1
364.21695	5.7
364.26660	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	363.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19899	3.5
53.03934	7.6
55.01861	6.0
55.05511	26.2
56.96563	7.7
57.03434	28.7
57.07070	5.1
57.97369	3.1
59.04993	5.1
61.02924	7.2
63.47358	3.3
67.05502	53.8
69.03423	14.8
69.07063	33.2
71.04990	76.2
73.02900	14.4
75.04485	8.0
79.05491	32.0
81.03410	13.0
81.06572	5.6
81.07051	95.9
81.07518	6.9
83.04978	17.3
83.08610	13.3
85.02902	95.1
85.06536	5.7
87.04460	12.0
90.37860	3.2
91.05469	36.7
93.07039	66.2
95.04961	22.7
95.08599	98.6
97.02885	7.1
97.06524	11.5
97.10167	6.5
99.04453	13.3
103.05464	3.5
105.07016	73.6
105.07677	6.1
107.04950	22.4
107.08582	90.4
109.06529	20.5
109.10142	80.3
111.04456	11.6
112.99983	9.7
113.06033	5.8
116.22337	3.3
117.07008	15.9
119.08567	91.3
121.06497	27.8
121.10127	56.3
123.08083	15.5
123.11698	23.8
125.05990	4.3
125.09635	12.4
129.05482	25.2
129.06985	7.6
131.08566	33.7
133.06493	5.5
133.10110	57.0
135.08038	9.7
135.11667	41.8
137.05962	7.4
137.09651	7.3
137.13243	9.9
139.11095	3.7
141.06996	4.2
143.07047	9.9
143.08522	15.8
144.09393	4.2
145.10109	56.1
147.06589	4.5
147.08063	7.0
147.11671	52.3
149.09616	13.3
149.13242	15.9
151.07545	5.8
155.08513	6.1
156.09274	3.8
157.10114	27.2
158.10941	4.9
159.08093	10.3
159.11682	69.0
161.09619	11.4
161.13249	35.5
163.11165	7.2
163.14815	5.9
165.09125	4.4
168.09378	4.1
169.02629	4.5
169.10085	7.4
171.11641	19.7
173.08147	4.2
173.13235	28.3
175.11191	4.4
175.14856	19.9
177.09079	3.7
177.16364	6.6
181.10056	3.7
183.11627	8.0
185.13220	14.3
187.11217	5.8
187.14778	17.5
189.16380	3.8
193.12227	4.1
194.93486	6.6
195.11696	4.4
195.93849	3.3
196.93152	5.8
197.13242	10.1
197.90207	3.6
198.31401	4.3
199.14841	10.9
201.16357	30.3
202.77489	3.4
203.17941	100.0
209.13292	5.0
211.14877	6.2
213.16432	8.2
215.17957	57.1
217.19449	16.2
223.14783	7.0
225.16281	4.8
227.14487	5.6
227.17987	16.6
229.19514	15.3
229.32457	3.7
231.21101	6.3
233.15407	5.5
238.03796	6.1
239.17915	9.0
241.19533	19.1
243.21074	8.3
253.19533	8.3
257.19016	4.7
259.20563	6.9
269.19070	6.7
271.16922	6.0
271.20590	10.7
283.20444	8.0
287.19864	5.2
289.17731	7.7
298.46890	3.4
301.21475	6.1
309.22052	6.8
327.23251	19.5
335.12802	4.9
345.11224	4.5
345.24161	38.6
346.97821	4.2
363.12720	7.0
363.17795	6.5
363.21387	7.6
363.25192	92.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2162
Annotation	Juruenolide D
Peak:m/z	Relative Intensity
53.03941	2.7
53.67561	1.4
55.01878	8.5
55.05512	21.9
57.03434	21.9
57.07077	3.0
58.15493	1.6
59.21731	1.5
62.24890	1.9
62.37742	1.6
65.03941	2.3
67.05502	28.6
69.03447	1.6
69.07070	9.2
70.06584	5.0
70.72967	4.3
74.97764	2.0
79.05493	28.2
81.03402	1.7
81.07050	29.1
81.57718	1.9
83.04972	5.9
83.08617	6.7
91.05482	26.9
93.07043	20.8
95.04960	5.0
95.08607	14.6
97.10178	8.1
105.07026	19.8
107.04967	8.6
107.08576	18.7
109.06507	8.0
109.10164	8.7
113.00011	21.6
115.05479	2.5
117.07021	12.5
119.04955	2.8
119.08569	18.2
121.06501	7.7
121.10146	6.3
123.08066	6.2
125.09637	8.4
128.06279	2.7
129.06993	7.2
131.08592	13.2
133.06491	8.5
133.10110	8.2
135.08047	16.7
135.11685	3.8
137.09610	7.2
141.07126	2.0
143.08582	5.3
145.06516	4.1
145.10132	11.3
147.08002	9.6
147.11703	4.9
149.09607	6.1
153.09146	6.9
155.08484	2.8
157.10110	3.7
159.08055	14.1
159.11726	4.6
161.09648	6.8
161.13226	3.2
163.07555	12.3
163.11209	2.5
169.02608	15.8
169.10155	2.6
171.11720	6.2
173.09621	7.0
173.13254	3.0
175.11180	2.3
177.09090	2.2
183.11757	2.7
185.13158	2.0
187.14821	5.3
189.11189	4.3
189.12807	7.0
201.12645	1.9
205.15942	4.1
215.14276	4.9
225.16389	3.1
233.15347	13.4
243.17476	7.8
253.15965	5.1
261.18570	9.8
271.16904	19.1
289.17957	100.0
290.18262	1.8
307.19061	3.4
314.24619	1.6
320.68695	1.7
363.17596	2.4
363.21576	18.4
363.25543	9.9
363.29980	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.0
55.05504	11.3
57.03439	100.0
62.59197	3.0
67.05508	20.3
69.07069	4.7
70.60881	3.1
71.59201	4.7
76.13033	2.9
79.05499	22.9
81.07059	24.7
83.04963	3.9
83.08662	3.3
86.09728	3.0
88.07637	4.1
91.05486	35.5
93.07031	20.7
95.04962	5.5
95.08603	18.7
97.06499	3.4
105.07034	26.2
105.69447	3.0
107.04955	12.0
107.08597	13.6
109.06521	11.3
109.10136	3.6
109.76778	2.9
117.07019	15.0
119.08599	20.8
121.06506	6.6
121.10141	10.6
125.05994	3.6
129.07014	8.4
131.08536	19.6
133.06485	6.5
133.10164	8.1
135.08023	5.1
141.06920	4.3
143.08562	7.7
145.06477	3.7
145.10143	15.5
147.08064	8.2
147.11711	5.1
149.09579	5.1
151.07608	3.6
155.08611	4.8
159.08044	8.3
159.11737	5.7
161.09665	7.6
161.13332	3.0
163.07593	2.9
169.10129	4.2
171.11725	8.2
173.09639	6.6
187.14786	14.3
189.12683	4.0
197.13326	6.4
201.12512	3.7
205.15965	14.1
208.50198	3.3
215.14328	9.8
225.16309	3.3
233.15343	25.4
243.17450	7.2
253.16284	3.5
261.18552	11.7
271.16943	9.9
271.28445	3.8
289.18051	19.4
326.92126	3.2
363.21698	21.4
363.33215	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	363.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.8
55.05497	15.9
57.03439	100.0
57.07066	4.0
67.05502	31.5
69.03429	4.6
69.07060	7.0
71.04997	4.5
71.60142	5.3
79.05497	34.9
81.03400	3.3
81.07056	41.4
83.04984	8.6
84.62840	3.6
84.89857	3.4
85.06537	3.9
86.37839	3.1
88.07605	4.1
91.05485	45.7
93.07040	28.8
95.04949	9.4
95.08611	26.7
97.06525	4.3
104.11613	3.7
105.07024	36.3
107.04978	10.5
107.08598	21.8
109.06507	8.3
109.10184	6.2
111.04467	3.6
115.05424	7.2
117.07012	19.8
119.08586	21.6
120.58031	3.2
121.06474	11.0
121.10169	16.2
123.04398	3.6
128.06282	5.6
129.07095	8.6
131.08578	29.6
133.06516	8.6
133.10115	10.9
135.08084	8.4
135.11678	4.0
137.05994	4.4
141.06972	5.1
145.06509	5.6
145.10098	18.5
147.08070	7.7
149.09680	5.9
150.04231	3.3
151.07549	14.8
155.46411	3.4
157.10147	5.0
159.08057	15.0
159.11658	8.8
161.09645	7.2
161.13278	3.8
163.07623	4.8
169.10133	5.6
171.11732	8.3
172.95190	4.4
173.09598	18.7
173.13301	3.9
175.07593	4.2
175.11194	4.4
177.12741	4.7
183.11749	5.3
187.11185	4.7
187.14836	12.0
189.12733	6.4
197.13329	7.2
205.15862	20.1
215.14323	14.8
233.15428	32.6
243.17387	16.1
253.15793	5.9
261.18521	13.8
271.16968	41.5
289.17978	46.5
290.18326	3.7
363.21613	37.5
363.33044	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	363.2141
Annotation	Hydrocortisone
Peak:m/z	Relative Intensity
53.93973	0.8
55.01846	0.5
55.05499	1.7
55.28498	0.6
56.96554	2.2
57.03419	1.0
57.07064	1.7
60.84370	0.6
61.02914	1.3
67.05502	3.5
69.03426	1.1
69.07055	3.3
70.04078	0.9
70.07826	0.6
70.94225	0.8
71.59597	0.7
73.02908	0.7
78.89761	0.7
79.05471	2.6
81.03397	1.0
81.07053	2.3
83.04993	0.7
83.08617	1.1
85.02901	1.5
91.05465	2.7
93.07034	1.9
95.04981	1.8
95.08598	1.7
96.08146	0.7
97.02862	0.9
97.10159	1.2
105.07014	2.1
107.04925	1.9
107.08580	1.7
109.10146	1.4
115.07590	0.6
117.06990	0.7
119.08548	1.6
121.10115	1.0
121.14883	0.7
121.81651	0.6
131.08569	0.9
133.10115	1.1
134.73041	0.5
135.11656	0.8
137.05734	1.8
137.09601	0.8
143.66064	0.5
145.10135	1.1
177.05252	0.8
196.91252	1.3
205.09726	0.7
227.05684	1.0
234.77104	0.7
235.13008	1.4
236.63495	0.7
243.05219	1.3
266.99277	2.3
297.98175	0.7
345.13943	0.8
349.16901	0.7
363.21402	100.0
364.21323	3.4
377.12878	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.3
55.02995	0.3
55.05494	0.9
56.96543	0.3
57.03424	0.8
57.07076	1.1
60.95636	0.2
65.13939	0.2
67.05500	1.5
69.03413	0.3
69.07048	0.8
70.04066	3.1
70.06574	0.2
70.42799	0.2
70.66242	0.7
72.08138	0.4
79.05479	1.0
81.03424	0.5
81.07047	1.1
83.04840	2.7
83.08593	0.3
89.78833	0.2
91.05463	2.3
93.07063	1.2
95.04946	0.6
95.08588	0.9
97.02858	0.4
97.06538	0.6
97.10179	0.4
98.03513	0.5
98.21583	0.3
100.05087	0.8
105.07016	0.9
106.96567	0.2
107.04942	0.7
107.08611	0.5
109.06484	0.3
109.10140	0.6
110.03512	1.1
111.00020	0.3
111.04306	4.5
113.00008	0.5
115.05457	1.4
115.15539	0.3
117.05727	0.4
117.07015	1.9
118.06534	29.7
118.24744	0.2
119.06841	0.3
119.08588	1.9
121.06505	0.4
121.10105	0.6
123.08127	0.3
125.09583	0.4
126.02972	1.0
126.99497	0.3
128.00224	0.5
129.01054	0.4
130.06505	0.5
131.08585	0.4
132.08076	1.6
133.06487	0.4
133.08862	0.7
133.10146	0.4
134.09641	0.3
135.08011	0.4
135.11688	0.3
141.00977	0.3
142.06512	1.9
143.07336	1.9
143.08325	0.4
144.04385	0.4
144.08081	9.5
144.09216	0.5
145.06462	0.4
145.10080	0.3
146.06001	40.8
146.09631	2.2
147.06314	0.6
147.08029	0.4
150.96843	0.3
157.06346	3.5
157.10078	0.6
159.08051	0.7
160.07558	0.7
165.02130	1.0
165.09065	0.3
166.00613	0.3
167.29530	0.3
169.02597	0.3
170.06015	3.2
176.14336	100.0
177.14661	2.4
180.03270	0.5
185.05800	1.1
188.07054	25.8
189.07375	0.5
191.02597	0.3
192.03233	0.7
194.93362	0.5
195.93666	0.3
196.93129	0.9
216.13748	1.2
220.02698	6.3
221.03072	0.2
234.14806	1.8
238.03761	43.3
239.04092	2.3
271.16965	0.5
289.17883	0.9
294.10089	1.6
335.08307	0.6
363.04199	0.3
363.20688	21.6
364.03687	0.3
364.15707	1.2
364.20465	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83269	29.3
55.05511	56.6
57.07064	76.7
67.05499	82.3
69.07066	83.7
69.15434	25.7
69.27226	27.6
70.92504	76.6
71.27235	25.6
73.78036	23.0
79.05512	67.3
81.07048	100.0
83.04905	28.2
87.04482	60.2
88.73565	26.8
91.05461	65.8
93.07037	63.4
95.08595	62.5
105.07027	55.1
107.04963	46.6
107.08579	64.0
113.00024	44.0
116.98595	30.6
119.08592	72.1
121.10193	39.3
128.22301	31.4
133.10161	39.9
147.11659	29.7
161.06474	31.9
173.13327	31.9
185.13248	27.2
210.93011	31.1
234.06923	30.5
239.91583	40.0
259.20627	59.3
266.99097	46.3
268.19601	25.3
351.58994	28.5
363.19000	52.0
363.23254	43.0
364.01703	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.2
58.06038	0.2
64.90025	0.2
67.05497	0.2
67.68703	0.2
69.03424	0.3
69.07050	0.2
69.87101	1.2
70.04077	0.2
70.65656	0.2
77.53215	0.2
79.05473	0.5
81.03418	0.2
84.08118	0.2
91.05476	1.1
93.07040	0.2
95.08655	0.3
96.00287	0.2
98.20766	0.3
103.05471	0.4
109.10152	0.3
110.03535	0.4
115.05455	1.0
117.05758	0.4
117.07023	1.6
118.06535	28.5
119.06837	0.4
122.07131	0.5
123.08006	0.3
130.06529	0.4
132.08066	2.6
133.08861	1.3
134.09628	0.7
136.01790	0.2
136.05048	0.6
136.08702	2.8
142.06563	1.6
143.07329	2.1
144.04449	0.6
144.08075	10.5
145.06442	0.3
146.06000	44.9
146.09602	1.8
147.06317	0.9
147.10394	0.3
147.11731	0.2
150.06636	1.0
160.07539	0.4
164.08157	0.4
165.08975	0.9
169.02579	0.2
170.06004	4.6
176.14334	100.0
177.14688	2.4
188.07054	31.3
189.07370	0.8
216.13831	1.0
234.14871	1.8
289.18039	0.5
294.08212	2.5
295.08554	0.2
335.08047	0.3
363.20679	18.9
364.15439	0.7
364.20969	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98054	10.7
56.96558	15.6
57.07073	26.6
67.05500	31.0
69.07061	38.0
69.34969	100.0
69.35369	22.7
79.05518	21.5
81.07037	21.8
87.04456	13.2
88.16163	9.7
93.07030	25.1
95.08603	14.6
96.44209	13.1
98.21484	23.4
98.64220	11.0
105.07017	22.9
109.10151	11.5
133.10173	16.4
135.11693	12.6
187.64323	11.5
217.23677	10.9
237.64514	13.3
298.90430	10.6
363.25717	13.9
367.57550	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	362.2323
Annotation	Tricalysiamide C
Peak:m/z	Relative Intensity
55.05474	1.0
57.03405	0.5
57.15815	0.3
57.60583	0.3
67.05473	1.4
69.07044	0.7
69.49193	0.3
70.06561	1.3
70.62243	0.4
70.62600	0.9
72.08154	0.3
81.03391	0.5
81.07025	1.2
85.02834	0.3
87.04443	0.4
91.03910	0.3
91.05456	1.3
93.07006	0.9
95.04935	0.7
95.08568	0.9
97.06492	0.6
97.10134	0.3
105.06992	0.9
106.06530	1.3
107.04940	1.7
107.07294	0.3
107.08585	0.5
109.06490	0.4
109.10140	0.5
115.05397	0.5
117.05759	0.8
118.06528	3.5
119.08556	0.7
120.08073	0.6
121.02881	0.4
121.06458	1.3
129.06984	0.9
130.06552	0.4
131.07269	1.7
131.08493	0.4
132.08101	1.7
132.95773	0.4
133.08792	0.3
133.10109	0.6
134.09613	1.0
144.08060	1.3
146.09644	3.4
158.09650	0.9
159.08058	0.6
160.11188	2.4
161.09624	0.3
169.02571	0.3
172.11198	1.5
174.12790	1.5
174.96895	0.5
179.09415	1.3
188.14305	0.5
190.08620	14.6
191.09294	0.7
192.10007	0.7
194.93373	0.5
198.02435	0.5
202.08554	1.6
202.15889	0.6
203.09584	0.4
204.10196	7.8
205.10878	1.2
216.10100	0.4
218.11745	22.3
219.12125	0.7
224.10240	0.5
230.15356	0.4
232.13338	3.2
234.14972	0.6
244.20543	2.0
246.14886	2.2
260.16235	0.7
272.20074	5.2
272.23672	0.9
274.17935	0.8
288.19632	0.7
289.17618	0.3
290.21204	0.5
300.23105	0.7
316.19000	0.8
316.22690	14.3
317.23151	0.4
330.73077	0.3
344.22174	100.0
345.22537	4.3
362.23215	97.0
363.11984	1.0
363.23660	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	363.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.4
55.02992	0.5
55.05495	1.0
57.03428	0.8
57.07065	2.2
67.05486	1.2
69.07046	0.8
70.04070	6.9
78.48747	0.3
79.05475	1.2
81.03410	0.6
81.07050	1.1
82.04050	0.4
83.04842	7.5
83.08600	0.5
91.05466	1.1
93.07041	0.4
94.04111	0.3
95.04950	0.7
95.08598	1.0
97.06508	0.9
97.10162	0.7
98.03519	0.4
98.20678	0.7
98.99999	0.4
100.05070	1.4
105.07003	0.5
107.04936	1.4
107.08585	0.6
108.85778	0.3
109.06532	0.4
109.10121	0.4
110.03507	3.5
111.04298	7.6
113.00011	0.5
113.01512	0.4
117.07043	0.5
118.06537	2.5
119.08569	0.8
119.29877	0.3
121.06497	0.6
122.71217	0.3
123.08072	0.5
124.49078	0.3
125.09553	0.3
126.02965	2.4
126.99454	0.6
127.03790	0.8
128.00232	1.5
129.01018	0.6
131.08514	0.3
135.08026	0.6
138.01045	0.6
138.10213	0.6
139.00490	0.6
141.01019	0.8
144.08064	1.0
145.10037	0.3
146.06020	3.5
146.07094	0.7
157.06352	6.6
157.10118	0.4
159.08066	0.7
165.02185	2.7
166.00574	0.7
166.09746	0.4
169.02609	0.7
170.05945	0.4
173.09689	0.4
174.06587	0.6
176.14328	8.4
178.00568	0.5
179.06744	0.4
180.03235	1.9
185.05779	2.2
188.07059	2.3
191.02444	0.7
192.03206	2.4
193.01608	0.9
194.93532	0.7
195.93831	0.6
196.93141	1.2
203.06865	0.4
209.03455	0.7
220.02721	13.9
221.03064	0.3
238.03754	100.0
239.04124	3.5
271.16980	0.4
289.17984	0.9
294.10077	3.2
335.08328	1.0
363.13419	0.4
363.21243	1.5
363.26883	0.7
364.03625	0.5
364.15274	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45745	0.1
57.03440	0.8
63.69481	0.1
64.14254	0.1
69.03429	2.1
69.07096	0.2
70.06602	0.9
71.51533	0.2
71.51880	0.2
72.08148	0.6
73.02927	0.3
74.06084	0.4
78.85557	0.2
84.04509	0.7
84.08148	0.8
85.02907	4.7
86.09694	1.1
86.78948	0.2
88.04012	0.2
94.04052	0.5
97.02894	3.9
98.02393	0.2
100.65601	0.2
102.05507	0.3
107.04951	0.3
110.07172	0.3
112.05082	0.2
113.00019	12.9
114.96951	0.2
115.03910	0.9
119.03549	1.3
129.10281	0.3
131.01041	0.2
136.06187	100.0
137.04576	1.3
137.06619	1.1
140.07050	0.2
149.13211	0.1
151.01579	1.1
174.89742	0.1
179.01028	2.4
182.08110	0.2
187.14432	0.3
189.03232	0.2
196.63277	0.2
200.09204	0.5
215.02000	0.1
215.13869	0.2
227.03160	2.5
227.05208	0.2
230.02452	0.2
231.09682	0.2
268.36749	0.2
338.56219	0.2
362.08585	4.0
362.13403	0.1
363.08731	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	1.0
55.01874	2.2
55.05293	0.5
55.05532	2.0
56.96572	0.6
65.03945	0.5
67.05502	3.8
69.03442	1.2
69.07066	4.1
70.05276	1.1
70.05668	1.2
70.06622	1.5
72.08175	1.2
72.82918	0.5
73.02947	1.7
73.06579	1.3
74.52815	0.4
75.85365	0.4
78.00072	0.4
79.05489	13.3
81.02953	0.4
81.03407	8.5
81.07089	1.9
83.04980	0.5
84.08143	0.7
86.09733	0.5
87.04475	0.9
91.05471	6.5
92.05002	3.6
93.03426	0.5
93.05819	0.9
93.07034	6.2
95.04962	7.1
95.06071	0.6
95.08631	1.4
97.02936	0.6
97.06554	1.6
103.05497	1.4
105.07020	5.1
106.06573	1.6
107.04945	4.6
107.08580	9.3
109.06520	1.1
109.10178	0.5
117.05762	0.7
117.06993	2.3
118.06532	12.8
118.07335	0.8
119.04942	0.4
119.06029	0.4
119.07365	0.9
119.08578	3.4
120.08107	1.1
121.02874	2.6
121.06497	15.8
125.01608	0.6
125.06045	0.5
128.06232	1.1
129.07019	1.0
130.06522	1.1
131.04935	0.9
131.08582	2.4
132.08112	1.9
132.95857	0.9
133.06531	0.8
133.10124	4.5
134.09631	0.7
135.08109	0.5
136.06116	0.6
137.05952	1.1
141.07014	1.5
142.07877	0.4
143.08536	5.0
144.96022	0.5
145.06506	2.1
145.10149	2.2
147.04373	1.1
147.08022	0.9
149.05966	2.6
150.96910	0.9
151.07570	1.2
153.07172	0.5
155.08574	1.2
157.06512	0.6
157.10077	3.1
158.97575	0.6
159.08022	4.6
159.11737	1.0
161.05972	13.7
161.09608	22.0
162.10011	0.7
162.96916	0.7
167.08574	3.8
169.10126	1.3
171.08087	2.0
173.09644	1.2
174.96898	2.0
175.07567	0.8
177.09167	0.7
179.08614	0.7
181.10150	1.7
183.07990	1.0
183.11716	0.9
185.09653	4.8
187.07655	0.7
187.11177	1.3
193.10089	0.5
196.24557	0.5
197.09651	1.1
197.13243	1.0
199.11208	0.6
202.15915	2.9
203.10614	0.8
205.08591	1.2
206.09151	0.8
207.11647	2.7
209.09599	1.0
209.13266	0.6
211.11098	2.2
213.09052	0.8
213.12715	0.7
217.10152	0.8
225.12740	4.4
227.14478	0.6
230.15395	15.6
231.10193	1.9
232.13417	1.3
235.11183	4.8
237.12805	2.5
248.16502	1.8
249.11214	5.6
253.12193	5.2
255.13795	1.1
258.18546	0.6
271.13290	13.1
281.11703	5.2
295.11841	1.7
299.12762	16.2
316.22690	1.6
317.13803	100.0
318.14075	3.8
321.05209	0.5
339.03125	1.1
344.22177	34.5
345.13116	1.8
362.16138	19.0
362.23172	48.9
362.26636	2.5
363.16541	0.8
363.23462	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11852	4.5
50.26070	5.1
50.31039	3.5
55.01861	9.7
55.05508	52.1
57.07079	9.5
67.05504	50.2
69.07059	33.4
71.20964	8.9
79.05062	7.0
79.05496	100.0
81.03420	11.0
81.07057	50.5
83.04998	10.1
83.08621	23.7
91.05481	61.6
93.07048	40.3
95.04961	16.6
95.08600	35.3
97.06546	5.0
97.10164	41.0
97.79592	4.1
105.07017	48.8
107.04961	36.9
107.08581	53.5
109.06532	8.4
109.10149	22.1
111.08089	7.3
117.07007	20.4
119.04946	14.3
119.08575	52.4
121.06496	13.5
121.10155	17.9
123.11699	4.6
125.09642	30.7
129.07010	4.9
130.66518	3.7
131.08598	26.3
133.06506	14.6
133.10130	29.0
135.08046	11.1
135.11713	15.9
137.13226	5.0
143.08589	9.5
145.10083	28.0
147.08012	6.8
147.11687	16.3
149.13251	17.5
153.12747	10.0
153.66379	3.9
157.10120	10.2
159.11705	12.0
161.09543	4.8
161.13231	7.1
163.11246	4.8
171.11665	9.3
173.13271	18.1
175.11197	4.8
175.14815	65.2
187.14790	15.3
189.11168	24.6
189.16321	5.5
201.16441	8.7
207.13777	7.2
215.14417	8.6
215.18060	4.6
217.15785	8.5
233.15361	35.9
273.18433	10.3
320.25858	5.8
325.25214	7.5
343.26492	35.2
361.24551	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	362.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.2
56.94284	2.1
62.26190	1.2
67.05507	2.7
69.80173	2.6
69.80580	4.9
70.06588	1.7
72.08146	1.5
72.93773	5.6
79.05502	1.9
81.07035	3.5
87.04474	2.1
90.94828	4.6
91.05473	2.4
93.07037	1.5
95.08590	1.5
100.10001	1.3
105.07017	2.0
105.47647	1.3
107.04939	3.1
108.95817	2.3
114.94829	1.7
115.42056	1.2
116.96344	1.8
119.08633	1.4
121.06470	1.6
132.95836	57.8
133.10107	2.1
134.97389	4.5
144.95834	11.8
145.10136	1.4
146.97437	1.4
150.95680	2.3
150.96890	39.2
155.97412	4.5
160.69861	1.4
162.96887	15.8
173.98444	1.6
174.96883	100.0
186.96863	3.2
188.98366	1.5
192.97896	15.6
200.94835	17.5
204.97948	1.7
215.99541	3.3
216.97951	5.3
218.95901	14.3
222.15108	1.7
230.95856	3.8
234.99060	3.2
241.97502	2.1
242.95836	8.8
260.96942	26.6
278.98004	10.7
283.08932	1.6
301.99539	2.9
312.11124	1.8
316.09570	3.3
320.99030	2.8
334.10812	2.2
362.27124	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	361.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75145	0.5
57.07070	100.0
58.07398	1.1
60.04519	0.5
66.01629	0.4
69.07079	1.0
71.59670	0.7
79.05489	1.8
83.05898	0.4
91.05485	3.0
95.04978	1.9
98.09679	1.0
104.05027	1.0
105.07016	3.7
106.06548	10.7
113.01559	2.1
114.01873	0.6
115.01248	1.1
118.06506	3.9
121.03516	0.5
129.01013	0.6
131.00757	0.6
133.07605	3.4
139.00574	0.5
141.00258	0.4
141.01071	3.3
142.01360	1.1
143.00731	3.0
143.07028	16.5
146.06026	0.9
147.08009	0.7
169.10161	0.4
175.08710	1.2
181.65088	0.5
191.07680	0.5
201.13908	1.4
201.43729	0.5
219.14925	15.0
220.15276	0.8
226.48940	0.5
259.14404	38.1
260.14786	2.2
277.15479	3.7
278.02448	0.4
361.03424	1.1
361.20831	2.0
361.29086	0.5
362.02637	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49334	1.8
65.03920	6.8
70.06598	10.3
70.18327	4.2
70.18743	7.0
79.56345	2.5
81.07050	2.5
82.06542	2.6
84.08121	1.8
84.09653	1.8
86.09680	3.7
89.06013	4.7
91.05436	4.5
92.04992	3.5
93.03412	3.4
93.07041	4.6
94.06553	9.1
95.04160	1.7
95.07323	7.1
96.08124	15.6
97.06506	3.1
107.04944	6.2
108.08121	12.7
110.09683	26.8
110.58098	4.6
114.09143	7.1
116.04969	1.9
118.06510	4.1
120.04479	5.6
120.06245	2.0
120.08110	21.2
122.05977	3.5
123.06745	2.2
124.07568	4.4
129.10056	2.1
132.10222	4.8
132.95801	4.2
134.02626	1.9
134.05978	3.2
136.07594	17.0
138.09145	34.5
144.04430	7.8
146.06010	45.7
148.03926	74.9
148.07542	4.4
149.04248	3.0
152.07077	1.9
154.08617	3.3
162.05508	3.3
164.07059	14.1
166.05011	28.4
166.08636	100.0
167.09012	2.6
172.03949	18.8
174.96854	6.1
176.12761	2.7
177.48111	1.9
190.04979	71.9
196.68082	2.2
199.12247	5.6
200.09355	2.5
213.10226	2.8
224.10283	8.0
227.11870	2.9
253.13271	3.2
255.11247	19.2
256.12952	3.4
257.12805	3.3
271.14404	6.5
273.12320	16.4
281.12769	6.1
283.10742	13.5
299.13940	28.1
301.11829	56.0
317.14853	3.7
319.12845	4.5
325.11722	2.6
333.14456	4.5
343.12787	8.5
361.13873	5.1
361.18036	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	361.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.4
55.05503	4.7
55.93518	2.5
56.05024	9.9
56.96329	1.8
56.96570	14.7
60.04515	2.2
65.03946	2.4
67.05495	6.0
69.03409	4.0
69.07067	4.0
70.02946	2.5
70.06589	36.6
71.04988	3.2
71.59651	4.3
72.08140	6.7
74.02432	19.8
79.05488	6.2
81.03407	14.2
81.07052	7.7
83.04984	5.0
83.08604	5.6
84.04498	22.9
84.08124	8.7
84.96038	4.9
85.02913	4.8
86.09697	11.6
87.05593	25.2
88.03985	4.7
91.05457	9.9
93.07061	5.4
95.04965	8.0
95.08586	5.2
96.04464	2.6
96.08125	3.1
97.02899	2.6
98.97581	28.3
101.07096	2.3
103.05473	2.6
104.05350	4.2
105.07037	4.6
107.04942	23.5
110.07121	2.0
110.09705	2.6
110.97541	4.1
113.00023	2.6
114.09129	2.6
116.03449	7.2
116.98619	19.1
119.04953	12.4
119.08568	5.3
120.08107	24.3
121.08433	3.7
121.10130	5.1
123.04423	12.8
124.04765	6.6
128.98604	7.0
129.10265	4.5
130.04990	14.0
131.08450	2.5
132.10283	2.5
133.06073	100.0
133.10078	2.9
134.99641	15.5
136.07565	5.2
137.05969	2.6
138.09123	4.3
143.00095	5.0
144.98079	2.2
146.99670	7.3
147.04404	27.9
147.07582	3.0
148.03922	6.2
150.96832	2.7
152.98621	3.3
153.00697	4.5
158.99718	10.5
161.01219	7.3
161.02948	3.1
165.10208	3.1
166.08687	7.0
168.06561	2.6
169.02596	8.0
170.99629	6.6
173.01176	2.4
177.00713	10.4
189.00726	3.9
190.04918	5.1
193.12207	10.7
194.11821	7.0
211.13280	18.4
212.12843	4.2
214.12616	2.8
215.01675	15.9
219.01799	6.6
223.04529	6.8
229.09810	3.1
237.02843	23.6
254.13800	11.5
255.03798	3.4
275.07941	7.1
276.13275	3.4
289.05603	4.2
293.09064	63.3
293.12326	3.9
295.98795	2.5
299.13788	4.0
301.11865	8.1
305.04959	2.2
311.09982	11.7
316.10626	3.2
317.17142	9.1
317.87271	2.5
335.10077	8.3
347.17160	4.0
361.14337	4.9
361.20309	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	361.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.9
55.05496	2.8
56.05030	5.3
56.96553	0.8
57.03421	0.7
57.77525	0.7
57.85836	0.6
65.03928	1.1
67.05489	4.3
69.03418	0.7
69.04552	1.2
69.07063	0.9
70.04070	6.6
70.06568	0.8
71.04974	2.1
72.08143	1.6
75.00048	0.7
75.18462	0.5
79.05501	3.5
81.03421	0.9
81.07050	4.7
83.04950	3.0
83.06102	0.9
83.08607	1.0
84.08147	0.9
87.04453	0.9
91.05470	3.4
92.04991	0.9
93.07040	1.5
95.04950	4.4
95.06089	0.7
95.08590	1.3
96.05622	2.2
97.02862	0.7
97.05624	0.5
97.06508	0.8
100.05092	0.9
104.04974	1.7
105.07009	2.6
107.04934	4.0
107.08579	1.7
108.05596	2.7
109.02750	0.9
109.06434	0.7
109.07636	3.5
109.10155	0.8
109.63662	0.6
110.03499	3.4
110.06032	3.2
117.07059	0.7
119.06049	2.5
119.08537	0.8
119.67584	0.6
120.05577	2.1
121.06377	4.4
121.10111	1.1
122.07146	8.1
123.08065	0.8
124.05058	1.7
131.08571	0.8
133.06471	0.6
133.10114	1.2
134.07115	12.9
135.08025	3.1
136.08691	48.1
137.05881	0.6
137.09468	5.6
139.92606	0.7
142.07794	0.7
145.10114	1.1
146.05975	1.4
146.07121	22.9
147.07898	10.8
147.11592	0.6
149.07404	1.0
150.06618	28.9
158.97708	0.7
161.05923	1.0
164.08182	19.2
165.08974	35.0
169.08421	1.3
173.05893	1.5
182.09267	1.6
194.93408	0.7
201.09126	0.6
202.15932	1.5
203.16309	1.8
204.06613	0.6
204.12645	0.6
205.04141	2.5
205.25360	0.6
208.02670	1.0
219.01802	0.9
220.02679	0.7
228.11490	0.7
236.02170	1.2
244.02328	0.5
248.05920	1.0
263.08209	3.1
264.09033	0.8
274.07394	9.4
274.21710	1.2
275.22055	2.2
287.16354	0.7
290.21158	0.8
292.08447	100.0
293.08743	2.0
361.11639	12.5
361.15829	1.1
361.20810	2.6
361.25458	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	361.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19559	1.4
55.05505	2.7
56.05040	2.1
56.96563	32.0
57.03436	1.3
60.04527	1.5
61.98931	1.3
66.94219	1.2
67.05503	4.5
68.05016	1.4
69.03425	1.9
69.07096	1.3
69.55707	1.3
69.61871	10.3
70.06590	23.3
71.04997	1.6
72.08146	9.6
79.05476	2.3
81.03415	1.7
81.07050	3.9
83.08611	1.5
84.04494	5.3
84.08143	10.3
84.96034	11.1
85.02895	2.7
86.09698	13.4
88.04006	1.4
91.05454	3.2
93.07043	2.7
95.05006	1.4
95.08632	2.0
97.06503	1.8
98.09693	1.6
98.97581	40.7
102.97080	2.0
105.06997	2.0
107.04967	5.9
107.06130	1.8
109.10161	3.4
110.07170	4.6
110.97552	9.7
116.98616	49.4
119.01935	1.5
119.08575	1.8
120.08119	6.1
128.98601	23.0
129.10233	4.3
131.00169	3.6
133.06509	2.2
134.99658	32.1
140.00197	1.9
140.98602	1.9
143.00185	4.1
144.98157	2.5
146.99664	31.4
147.08061	1.9
147.11372	1.7
149.01308	3.5
152.98624	4.6
153.00708	3.0
158.01288	2.2
158.99649	12.6
161.01224	12.7
162.99152	9.4
165.00711	4.4
170.01270	2.8
170.99657	10.7
173.11722	4.1
175.06422	3.3
177.00716	22.0
179.02359	2.2
186.10295	1.5
187.11162	1.6
189.00742	8.9
195.01758	4.4
199.06471	5.8
201.00690	3.5
211.06267	1.8
217.07434	2.4
219.01765	23.1
237.02815	61.9
241.07567	3.2
242.03415	1.7
247.07744	1.3
253.07399	2.9
255.03946	6.4
260.04465	4.6
273.35083	1.3
287.19910	1.4
296.75577	1.3
301.06976	0.9
301.09558	51.3
319.10638	100.0
320.11026	2.4
342.12207	9.9
343.12680	1.5
361.11639	15.9
361.16187	1.5
361.18021	1.4
363.20419	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.9
55.05496	2.8
56.05030	5.3
56.96553	0.8
57.03421	0.7
57.77525	0.7
57.85836	0.6
65.03928	1.1
67.05489	4.3
69.03418	0.7
69.04552	1.2
69.07063	0.9
70.04070	6.6
70.06568	0.8
71.04974	2.1
72.08143	1.6
75.00048	0.7
75.18462	0.5
79.05501	3.5
81.03421	0.9
81.07050	4.7
83.04950	3.0
83.06102	0.9
83.08607	1.0
84.08147	0.9
87.04453	0.9
91.05470	3.4
92.04991	0.9
93.07040	1.5
95.04950	4.4
95.06089	0.7
95.08590	1.3
96.05622	2.2
97.02862	0.7
97.05624	0.5
97.06508	0.8
100.05092	0.9
104.04974	1.7
105.07009	2.6
107.04934	4.0
107.08579	1.7
108.05596	2.7
109.02750	0.9
109.06434	0.7
109.07636	3.5
109.10155	0.8
109.63662	0.6
110.03499	3.4
110.06032	3.2
117.07059	0.7
119.06049	2.5
119.08537	0.8
119.67584	0.6
120.05577	2.1
121.06377	4.4
121.10111	1.1
122.07146	8.1
123.08065	0.8
124.05058	1.7
131.08571	0.8
133.06471	0.6
133.10114	1.2
134.07115	12.9
135.08025	3.1
136.08691	48.1
137.05881	0.6
137.09468	5.6
139.92606	0.7
142.07794	0.7
145.10114	1.1
146.05975	1.4
146.07121	22.9
147.07898	10.8
147.11592	0.6
149.07404	1.0
150.06618	28.9
158.97708	0.7
161.05923	1.0
164.08182	19.2
165.08974	35.0
169.08421	1.3
173.05893	1.5
182.09267	1.6
194.93408	0.7
201.09126	0.6
202.15932	1.5
203.16309	1.8
204.06613	0.6
204.12645	0.6
205.04141	2.5
205.25360	0.6
208.02670	1.0
219.01802	0.9
220.02679	0.7
228.11490	0.7
236.02170	1.2
244.02328	0.5
248.05920	1.0
263.08209	3.1
264.09033	0.8
274.07394	9.4
274.21710	1.2
275.22055	2.2
287.16354	0.7
290.21158	0.8
292.08447	100.0
293.08743	2.0
361.11639	12.5
361.15829	1.1
361.20810	2.6
361.25458	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	360.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.7
55.05506	40.9
56.96551	8.7
57.03429	9.2
57.07076	9.8
63.68044	6.7
67.05221	6.7
67.05505	84.4
68.40704	8.6
69.03413	11.7
69.07072	56.1
70.04065	12.9
70.06584	11.3
70.73129	23.7
71.04990	61.5
72.08133	12.7
79.05489	71.1
81.07058	59.3
83.04989	9.9
83.08599	17.5
85.02898	8.1
91.05470	48.8
93.07040	100.0
95.04952	23.5
95.08597	41.2
97.02888	8.1
97.06504	14.0
97.10144	21.1
98.97581	11.4
103.05444	6.8
105.07013	26.5
107.04951	50.6
107.08611	38.3
109.10154	58.3
116.98571	9.3
117.06999	11.4
119.08540	21.5
120.08112	49.3
121.06475	20.2
121.10144	76.2
125.09619	18.7
129.06976	7.6
131.08588	10.0
133.10114	14.9
134.99551	9.8
135.08109	7.1
135.55576	7.0
145.10132	7.8
148.07590	14.9
148.75922	8.0
153.12743	43.2
155.10696	7.7
155.81400	7.6
157.10156	10.7
159.11697	9.0
165.07010	14.3
166.08635	16.1
173.11740	94.8
179.08618	8.8
180.09320	9.8
189.11203	17.3
208.22182	6.7
215.06224	24.5
217.05923	26.7
253.98763	7.4
272.20001	19.6
275.20056	50.1
333.12280	10.8
342.20920	8.8
356.13608	23.6
360.28992	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	6.5
56.96552	2.6
57.03430	1.4
57.07060	2.1
58.86666	1.1
59.04996	1.6
67.05502	16.4
69.07048	5.8
69.41721	11.5
70.04063	4.0
74.07385	1.2
79.05497	6.4
81.07051	8.1
83.08626	2.2
84.48909	1.2
85.02852	1.1
91.05453	7.0
93.07026	5.6
95.04961	1.5
95.08607	6.2
97.06536	1.4
97.10159	4.8
105.07019	5.3
106.06512	1.8
107.04940	3.5
107.08560	9.2
108.35283	1.2
109.06528	2.4
109.10143	12.5
112.79623	1.3
117.07014	1.9
118.06551	5.8
119.08560	2.8
121.06483	2.1
121.10183	1.5
123.08092	1.3
125.09628	5.4
129.07014	1.7
132.08083	2.9
133.10103	2.3
135.08038	2.3
137.09619	1.6
145.10080	2.5
146.09627	3.3
147.11754	2.2
153.09081	1.7
155.10687	2.3
160.11194	2.1
165.07021	3.5
173.11737	16.7
178.07840	1.5
179.08510	6.7
180.09293	5.8
181.09856	1.3
187.13268	12.3
188.14357	3.2
194.53648	1.3
203.12737	3.9
215.06190	3.5
216.17456	2.3
217.05821	6.3
244.20506	2.1
253.03601	1.5
272.20068	26.0
275.20142	4.7
281.10550	1.6
290.21136	9.1
299.11670	2.5
360.04010	2.2
360.28949	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.5
55.01859	5.1
55.05498	8.5
56.05028	5.1
56.96557	2.6
57.03431	2.5
67.05497	13.2
68.05014	2.9
69.03413	3.8
69.07066	17.1
70.06586	16.8
71.04992	5.3
71.60423	3.9
72.04535	2.4
72.08151	7.7
79.05498	13.2
80.04998	2.9
81.03423	18.9
81.07054	15.8
82.06571	3.6
83.04974	7.0
83.08607	8.6
84.04500	4.7
84.08128	6.2
85.02917	2.7
86.06042	3.8
86.09703	74.9
87.04461	3.9
91.05463	10.9
93.07039	8.0
94.06565	3.3
95.04978	11.3
95.08596	9.1
96.08134	3.7
97.02856	2.8
97.06505	4.5
98.09690	3.1
98.97582	4.0
104.29103	2.3
105.07042	9.2
107.04955	33.7
107.08577	5.5
108.08147	2.2
109.10165	3.0
111.08070	4.8
112.11224	3.0
116.98642	4.4
119.08574	5.0
120.08127	3.5
121.06466	2.4
121.10106	5.6
127.55934	2.4
129.07033	2.9
129.10252	3.1
131.08624	3.1
132.10202	48.0
133.10130	4.3
134.99579	2.6
137.16672	2.3
138.09100	3.2
138.12813	3.0
143.43542	2.2
147.11670	4.8
148.03893	2.9
149.09619	5.2
157.10161	6.1
166.08653	4.4
166.12341	4.0
175.11176	4.6
178.12296	2.5
180.06583	3.3
182.79771	2.5
184.13306	10.2
193.12209	22.4
196.13240	4.8
198.09052	2.2
210.14937	7.6
211.13272	53.5
211.15268	3.7
213.14980	3.4
226.08640	2.5
234.18440	2.4
237.02855	4.7
238.86214	2.8
252.19589	55.3
253.20003	2.8
254.10233	9.1
270.20648	100.0
271.20966	2.8
296.22211	13.1
298.20129	5.3
301.11945	3.1
314.13718	4.0
314.23203	5.9
316.14487	4.0
316.21210	52.9
317.21643	2.7
342.13342	4.4
342.22775	15.2
360.13309	32.2
360.16245	3.3
360.20636	4.8
361.13641	8.2
372.90622	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2167
Annotation	Comosivine
Peak:m/z	Relative Intensity
51.02370	0.2
53.03936	0.7
55.05509	1.7
57.07059	0.4
58.51274	0.2
59.11880	0.2
67.05491	0.5
68.05040	0.2
68.47919	0.2
69.07065	2.0
70.04078	0.2
71.21346	0.4
72.93750	0.2
77.03922	0.2
79.05483	1.6
80.05015	0.8
81.07045	0.7
83.08608	0.6
91.05455	0.4
93.07021	0.5
94.06561	3.3
95.04963	1.6
96.08101	0.4
97.10179	0.5
103.05498	0.2
104.72530	0.2
105.04475	0.3
105.07034	0.3
106.06538	1.2
107.04948	100.0
108.05270	1.0
108.08134	1.7
112.07600	3.5
115.07565	0.2
119.08579	0.2
120.08051	0.3
121.06491	0.8
121.10086	0.2
122.84788	0.2
124.07581	9.9
125.09583	0.3
126.09171	0.2
129.01024	0.2
141.01027	0.2
144.60345	0.2
170.11674	0.2
179.08473	0.3
190.15790	0.2
197.07286	0.7
200.14342	0.2
218.15422	1.7
231.12064	0.4
236.16443	11.0
238.93593	0.2
254.17497	45.7
255.17743	1.1
266.17383	0.2
272.20010	0.2
314.17560	0.2
333.87292	0.2
342.17078	0.3
360.21674	13.2
360.28329	1.6
361.11401	0.4
361.21991	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.22
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	12.7
56.96567	5.6
57.03416	4.8
58.77816	3.5
58.99572	4.4
60.36127	3.3
62.20883	3.2
63.50002	3.0
67.05500	18.8
69.07072	21.6
70.06601	17.4
71.05004	20.0
71.58503	4.1
71.58901	3.8
72.08141	10.0
76.02229	12.6
79.05502	29.2
81.07059	100.0
83.08601	10.0
84.04510	4.0
84.08128	8.2
86.09725	9.2
86.99030	6.9
88.02219	4.9
89.69302	3.4
91.05482	16.9
93.07045	58.9
95.04951	3.6
95.08613	37.5
97.06544	4.3
99.08067	5.1
103.65910	3.3
105.00093	4.6
105.07034	35.1
107.04940	15.3
107.07880	3.6
107.08593	59.9
107.67357	2.9
109.10148	36.4
112.15236	3.4
116.06279	3.4
119.08582	46.2
121.10155	14.9
122.02723	66.8
123.11689	17.6
127.11241	10.3
129.10236	4.5
133.10144	46.0
134.02809	3.8
135.11694	96.6
147.11670	30.8
149.13254	9.0
150.79248	4.0
151.11172	3.3
153.12730	28.9
154.36400	3.2
161.13280	11.0
163.14830	3.9
164.03464	3.2
164.04897	3.4
175.14764	6.8
176.65709	3.3
185.09962	3.6
189.09378	3.3
203.17987	32.4
221.15428	5.7
221.18968	9.1
234.99010	3.8
342.20801	7.7
360.20078	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	360.2131
Annotation	Leu-Leu-Asp
Peak:m/z	Relative Intensity
55.05495	1.2
56.05031	2.9
60.04506	1.1
62.74112	0.6
67.05481	1.8
68.05017	1.5
69.07076	10.2
70.02964	0.9
70.06593	22.4
70.92723	1.4
70.93056	1.0
72.08152	9.7
74.06068	2.0
79.05480	1.1
81.03403	0.9
81.07051	2.4
83.06103	0.9
84.04503	4.9
84.08139	6.5
85.02909	1.2
85.39319	0.9
86.06028	1.0
86.09705	100.0
87.10047	3.2
88.03985	3.9
91.05492	1.5
95.08636	1.0
96.08115	0.9
98.02445	0.9
98.06063	1.2
102.05551	1.3
103.05438	1.0
104.05358	1.2
104.10785	0.9
107.04959	2.8
110.02407	1.1
110.07158	4.4
112.07657	0.9
112.11244	0.8
113.10766	0.9
114.05529	1.1
116.07081	1.6
116.98640	0.9
120.08112	5.9
124.67814	0.7
129.10252	4.0
130.05005	1.3
132.10205	5.5
133.10208	0.8
133.99228	0.7
136.07558	1.7
138.09084	0.8
141.10240	2.2
148.12259	0.8
149.02367	1.8
150.68259	0.7
155.11836	0.9
156.10262	1.5
159.09222	1.4
160.57988	0.7
163.03963	1.4
166.08658	1.8
170.47818	0.7
181.09662	0.7
183.11276	6.3
184.07341	1.1
200.14053	0.9
201.12373	15.5
201.14188	1.8
212.09200	1.5
214.18056	1.2
218.45396	0.7
229.11861	13.7
235.08382	0.9
235.15196	0.8
247.12877	10.1
252.16071	0.8
280.10718	1.0
316.19839	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40455	0.5
53.03930	1.0
55.01868	0.7
55.05507	2.6
56.05033	0.7
57.03408	0.5
58.06591	0.8
58.99580	0.6
60.04513	1.7
63.65243	0.5
67.05503	2.7
68.05021	2.0
69.03429	1.3
69.07061	1.5
69.30697	0.5
69.50645	3.2
69.51054	1.2
70.06600	2.8
72.04511	0.6
72.08140	1.6
73.02889	0.5
76.02219	0.7
79.05482	2.5
80.04998	2.3
81.03405	3.4
81.07050	5.2
82.06564	1.5
83.04963	1.9
83.06094	0.7
83.08599	0.7
84.04491	1.1
84.06870	0.8
84.08128	1.2
85.02884	1.1
85.07644	0.6
86.00642	1.0
86.06052	0.7
86.09692	2.1
87.04456	4.7
89.06045	0.6
91.05474	2.2
92.05013	0.9
92.14659	0.5
93.07039	3.8
94.06561	2.5
95.04946	3.7
95.08622	1.1
96.04492	2.8
97.02885	0.8
97.06522	1.0
97.10202	0.6
98.06087	0.9
98.20661	1.0
99.04476	0.5
105.07001	2.3
106.06496	1.1
107.04931	4.6
107.08562	1.5
108.05262	0.6
108.08128	1.2
109.06475	1.2
109.10119	0.9
110.06030	4.5
114.05523	1.7
117.00071	1.0
118.06536	0.8
119.04980	0.9
119.08521	1.2
120.08112	1.0
121.05216	0.5
121.06519	0.9
121.10136	0.5
122.02731	1.9
122.06014	1.9
123.06795	0.5
130.16954	0.5
131.07068	0.8
131.08162	1.6
132.01128	0.8
132.06549	1.5
132.08403	0.6
133.10043	0.9
134.05978	0.7
135.04413	1.4
135.06847	0.6
135.11649	0.9
136.07584	2.6
137.05948	1.7
138.05492	0.7
138.09102	0.9
140.07045	3.7
145.10132	0.9
147.04448	1.1
147.11691	1.0
149.05887	0.7
163.03862	2.5
165.05455	18.7
166.05853	0.5
168.06656	0.5
175.09741	0.5
175.11166	0.8
181.04895	1.1
185.13312	0.6
186.07594	1.7
193.12189	1.6
203.10573	0.6
211.13260	0.6
220.16957	0.7
221.11679	8.3
222.14819	0.8
224.16446	0.6
230.15387	0.6
232.17012	0.6
234.14777	0.6
240.15916	0.7
247.12943	0.6
248.16495	4.4
250.18039	1.0
260.16440	1.5
266.17419	3.2
270.19089	0.7
278.17560	4.2
288.15973	0.9
296.18567	0.9
302.79465	0.4
306.16995	2.4
316.19482	3.9
324.18027	5.7
342.14938	0.6
342.19028	5.1
360.20114	100.0
361.20468	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	5.6
56.05025	13.9
60.04519	8.9
60.05625	3.3
69.07056	3.6
70.06588	75.8
71.06917	7.0
71.09138	3.4
71.57917	5.8
71.67963	3.5
72.08153	60.0
74.06081	8.6
79.05530	4.2
83.06099	4.8
84.04504	26.4
84.08143	53.2
85.02924	6.2
86.06042	3.6
86.09700	100.0
87.05595	4.1
87.10024	8.0
88.04004	7.0
91.05455	3.3
93.07034	5.6
95.04939	4.8
102.05502	8.7
103.05467	33.0
107.04974	19.9
110.07168	16.6
112.08704	6.1
115.08754	3.5
116.07082	4.9
119.04961	5.9
120.08104	14.4
121.06530	4.6
122.86481	3.5
123.04499	4.0
125.90881	3.2
127.84125	3.1
129.10223	32.3
130.08626	5.3
131.04922	70.4
133.06416	5.9
144.06483	5.0
145.04922	3.9
157.13484	5.2
163.07568	22.8
170.05998	4.6
177.03706	4.0
181.13289	3.5
184.07376	4.9
199.18001	12.0
215.14035	4.1
217.83517	3.9
241.27074	3.7
255.55249	4.1
312.02798	3.9
316.19550	8.6
360.17270	4.5
361.14523	4.6
361.19623	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	360.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.1
65.24731	0.6
68.43620	0.6
69.07066	1.1
70.06593	4.1
70.18375	2.1
72.08158	9.3
75.05610	0.7
84.04490	2.7
84.08150	2.5
85.02922	1.2
86.09707	100.0
87.05595	8.7
87.10013	1.2
88.03999	0.9
89.98200	0.6
98.09702	0.8
99.05589	2.1
106.54459	0.5
107.04953	1.2
110.07172	2.3
115.05054	14.2
115.05819	1.0
115.08721	0.7
120.08064	0.6
125.03458	0.5
127.05028	6.4
129.10257	2.1
130.05006	1.0
132.10208	1.4
143.11794	15.7
147.07663	0.7
148.06070	1.5
155.11810	1.3
171.11304	5.5
172.07167	8.2
183.11349	1.8
185.16498	5.5
189.12387	5.3
200.14075	1.1
213.16020	1.6
228.13380	0.8
229.09496	0.6
239.14999	1.2
240.13416	1.3
246.14502	1.3
247.13043	0.9
257.16098	16.7
277.29538	0.6
285.15591	3.0
314.18066	0.6
342.17761	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	5.4
57.03428	9.7
60.95779	6.0
61.02913	10.8
69.03430	31.7
70.06589	38.8
71.58768	7.6
73.02892	10.6
81.03436	11.1
85.02901	100.0
91.03957	16.4
97.02880	39.1
109.02904	9.5
119.01872	14.0
119.04884	7.4
127.03919	45.3
135.04921	6.6
138.61832	5.7
145.03496	9.2
145.04938	44.7
147.04381	23.7
161.02954	7.8
163.05972	11.3
173.02986	7.9
185.46715	6.3
223.04491	8.3
234.18649	6.8
245.05084	12.1
245.11180	8.8
301.00412	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	360.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.01862	1.5
55.05516	3.1
56.05021	1.3
57.03416	1.0
58.06601	0.9
58.99573	1.4
59.04977	0.9
60.04517	1.2
67.05505	3.5
68.05020	2.4
69.03418	1.4
69.07069	1.6
70.06575	3.2
71.04980	0.7
71.59378	0.8
72.04506	0.9
72.08138	1.7
76.02222	3.4
76.67343	0.5
79.05490	5.1
80.05016	3.2
81.03419	3.9
81.07053	11.2
82.06567	1.5
83.04990	3.0
83.06086	1.2
83.08598	0.7
84.04498	2.1
84.06887	1.4
84.08130	2.1
85.02888	3.4
85.06540	0.7
86.00661	4.0
86.06075	1.5
86.09705	2.1
86.99046	0.9
87.04465	0.6
91.05483	5.4
92.04985	1.3
93.05802	0.7
93.07035	6.6
94.06565	2.5
95.04967	4.5
95.08600	2.2
96.04472	2.9
97.02901	1.7
97.06528	0.9
97.10127	0.6
98.06044	0.7
105.00067	1.9
105.07019	3.7
106.06562	0.6
107.04955	5.3
107.08566	3.3
108.05245	0.6
108.08106	1.0
109.02808	0.5
109.06504	4.1
109.10149	1.1
110.06049	3.7
111.04435	0.7
112.07555	0.6
114.05508	1.8
117.00056	2.4
117.07004	0.7
118.06515	0.8
119.04958	2.6
119.08570	2.1
120.08090	1.3
121.06477	1.8
121.10150	1.6
122.02740	10.0
122.06001	2.9
123.04419	0.9
123.08018	0.5
123.11689	0.6
123.99878	0.6
124.02110	0.6
125.06021	0.5
125.09666	0.7
127.07571	0.7
129.10277	0.9
131.08249	2.1
132.01134	5.0
132.06555	2.0
132.08467	0.8
133.06450	1.1
133.10132	2.2
135.04417	2.8
135.11693	4.0
136.07561	1.9
137.05971	6.7
137.09573	1.0
138.05464	1.1
140.07085	2.5
142.07722	0.8
145.06522	0.7
145.10149	2.9
147.04416	1.8
147.08005	0.8
147.11658	2.8
149.09584	1.3
152.07019	1.0
157.10081	1.8
159.11674	0.6
160.08856	0.5
161.09569	1.1
163.11116	2.5
165.05469	94.9
166.05881	1.0
174.21652	0.6
175.11211	3.7
185.09543	0.6
186.07608	1.3
193.12219	4.0
196.13112	0.5
198.07558	0.6
203.10640	1.7
204.13925	1.0
215.01614	0.6
220.16957	1.4
221.11710	42.3
222.14929	1.3
223.13225	0.8
230.15443	0.7
232.17058	1.0
232.31084	0.6
234.14790	0.7
240.15950	0.6
248.16423	5.0
250.17972	1.7
253.08485	0.7
260.16428	1.5
266.17447	2.6
268.09924	0.6
270.18982	1.3
271.09967	0.8
278.17566	3.7
288.15997	1.1
306.17041	3.1
315.19238	0.6
316.19458	6.4
324.18021	5.3
342.13531	1.3
342.19073	5.5
360.20123	100.0
361.20514	1.0
373.18900	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	19.3
57.07077	100.0
67.05499	34.8
69.07057	17.4
70.31577	18.0
70.31967	15.3
71.08642	62.1
72.05284	8.0
74.29152	7.9
79.10578	7.8
81.07045	36.8
83.08636	25.3
85.10175	55.2
88.07598	12.7
93.07029	8.9
95.08595	55.4
97.10183	13.0
105.07037	9.3
109.10155	30.1
111.11743	11.5
137.13254	8.7
232.86536	8.1
293.24826	8.2
341.30493	64.3
359.37207	64.6
373.41568	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	360.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
55.05511	1.7
56.05033	0.9
57.03461	0.7
60.04522	0.9
61.02930	0.6
65.03951	0.8
65.30389	0.5
67.05500	1.2
68.05012	0.6
69.03436	1.8
69.07081	1.2
70.06586	8.4
71.05024	0.6
71.33229	1.1
72.08160	2.6
79.05503	1.3
81.03411	2.3
81.07086	0.6
83.04968	1.0
83.08621	0.8
84.04500	1.8
84.08147	1.4
85.02899	4.4
86.09696	7.5
88.03993	1.1
91.05482	2.1
93.07036	0.8
95.04977	2.0
97.02898	1.6
102.05547	0.8
104.05325	0.6
105.07024	0.8
107.04946	10.3
108.05309	0.6
110.07172	1.2
111.04454	1.0
112.07594	0.7
114.05527	1.2
116.07064	0.7
117.07001	0.5
119.04968	0.7
119.06081	1.0
119.08576	1.0
120.08106	1.1
121.02849	2.7
128.07050	0.7
130.05016	0.6
132.06564	0.6
133.02872	2.2
134.06006	0.9
135.04404	2.1
137.05983	2.6
138.05449	1.4
138.06387	0.6
140.06943	0.6
146.06091	0.6
147.04379	0.8
148.06010	1.4
149.02332	100.0
150.02638	1.0
150.07747	21.2
152.07057	1.5
153.07829	1.8
160.04614	0.9
160.61438	0.5
161.06036	0.6
163.03894	67.9
164.04250	1.2
165.05438	1.6
165.06642	1.2
167.03386	2.4
180.08684	1.1
181.04948	27.2
182.05463	0.5
190.05109	0.5
201.12254	1.0
211.13231	0.5
229.11818	0.7
229.15498	1.3
237.58536	0.5
254.11275	1.2
261.14828	0.5
279.11639	0.9
342.14694	0.5
342.19083	1.0
360.15414	3.7
360.20087	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	359.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.8
55.01847	1.0
55.05511	4.2
56.05024	2.5
56.96552	1.2
58.06576	3.1
61.84766	0.8
62.43940	1.1
64.03001	0.9
67.05509	4.9
68.05006	2.6
69.03438	1.1
69.07058	2.9
70.06582	9.5
70.24399	4.3
71.04983	2.0
72.08149	6.1
79.05475	4.0
80.04995	1.8
81.03416	10.9
81.07043	6.7
82.06563	1.6
83.04974	2.7
83.06110	5.9
83.08610	4.4
83.09295	0.9
84.04477	2.0
84.06882	7.3
84.08154	6.5
84.51546	0.9
85.02888	1.4
85.07661	34.0
86.06055	2.5
86.09700	6.4
87.04473	1.3
87.09187	1.3
87.10060	0.9
89.06004	2.2
90.05540	3.7
91.05474	4.8
93.07029	4.0
94.02920	1.0
94.06533	0.9
95.04963	5.4
95.08582	2.2
97.02886	0.9
97.06538	2.5
103.03916	2.7
103.05429	1.0
105.07030	4.3
107.04265	1.7
107.04939	14.3
107.08572	1.9
108.05256	1.1
109.06503	1.6
110.07149	1.3
110.52886	1.0
111.08058	1.9
114.05550	1.1
116.07079	1.2
116.98598	1.2
119.08551	2.8
120.08094	1.7
121.10167	1.3
125.09629	0.8
129.06978	1.4
129.10234	3.8
129.61473	0.9
131.08153	100.0
133.10121	2.9
137.05917	1.5
138.05458	1.3
146.01234	0.9
147.06604	1.1
147.07610	6.7
147.11583	2.5
149.09676	1.2
157.10097	2.2
160.02859	0.9
169.09729	1.1
169.93871	0.9
174.49657	0.8
175.11151	2.7
193.12245	10.0
196.13351	1.1
205.31093	1.1
206.01599	1.5
207.21939	0.9
211.13287	16.9
215.01576	1.2
233.02763	1.0
236.16444	1.5
251.17493	1.4
257.02710	2.0
262.18015	1.9
269.18524	3.7
280.15427	1.2
297.21683	6.3
306.17023	2.6
315.19156	16.1
324.18063	13.1
341.20630	2.4
359.12921	1.1
359.17337	1.6
359.21918	5.1
360.20084	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	359.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.0
56.05038	2.5
57.03436	4.5
58.99582	2.7
60.04500	2.5
67.05490	6.6
69.03427	4.8
69.07066	5.9
70.06593	23.0
71.58028	2.7
72.08153	12.9
74.31142	2.4
76.02234	4.5
79.05493	9.0
81.03424	4.2
81.07058	14.4
83.06061	2.2
84.04508	16.8
84.08141	16.7
85.02887	10.6
86.09706	100.0
87.05594	2.4
88.03999	3.6
90.97107	2.5
91.05476	11.7
93.07036	13.1
95.04981	4.3
95.08608	6.2
97.02914	3.1
98.98475	7.2
102.57427	2.0
105.07018	10.2
107.04969	13.8
107.08596	38.3
109.02843	2.4
109.06458	2.8
110.07120	3.9
111.05555	2.5
112.11221	2.2
116.01649	2.5
116.07099	3.2
117.07024	2.9
119.08602	6.2
120.08130	6.9
121.06510	4.0
121.10176	8.8
129.10217	10.0
130.05026	5.3
131.08524	2.9
132.10222	5.1
133.06508	4.2
133.10130	22.5
137.05981	2.7
143.11803	30.3
149.09618	6.0
151.11206	10.9
153.89607	2.4
155.11751	4.8
161.09589	5.9
162.02197	2.5
167.10654	12.9
171.11334	8.5
179.10663	17.9
183.11317	2.8
189.12315	14.4
197.11736	96.0
198.12196	2.5
200.14032	7.2
201.12361	6.9
215.10667	5.5
228.13498	4.2
229.51352	2.5
231.13847	2.5
313.28003	2.4
341.21976	2.8
344.97287	2.5
359.16751	8.6
359.20670	3.8
363.35629	2.1
368.49438	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	359.17
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
57.03428	2.1
61.02928	1.6
61.56414	0.7
67.05493	1.9
69.03419	4.6
69.59197	5.6
70.06580	4.6
71.04983	1.0
72.08141	1.4
73.02904	1.0
79.05480	2.3
81.03416	2.1
81.07047	2.6
81.96743	0.7
84.04488	1.1
84.08128	1.9
85.02901	18.7
86.09694	4.5
91.03940	0.9
91.05466	5.6
93.07031	8.4
95.04972	2.9
95.06105	1.1
95.08597	1.6
97.02889	3.6
99.04500	1.0
103.05447	1.1
105.07036	8.2
107.04962	4.2
107.08591	21.3
109.02937	1.6
109.06544	1.7
109.10154	1.9
113.07101	0.8
119.04932	1.1
119.08574	3.1
121.06489	3.0
123.04429	0.9
123.08087	1.0
123.11716	0.9
123.31936	0.7
127.03916	3.9
130.05006	0.9
131.04921	3.0
131.11790	1.0
132.10165	0.9
133.06421	1.2
133.10130	21.2
134.10452	1.0
135.11687	19.8
136.07581	1.3
136.12019	0.8
136.25772	0.8
137.05981	2.0
137.09557	1.8
140.95622	0.7
145.04926	1.7
151.11195	1.2
161.09628	13.0
163.07480	0.9
170.03062	0.8
179.09071	1.7
179.10661	35.0
197.11720	100.0
198.12068	2.8
359.10184	1.1
359.17047	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.2
55.01868	2.3
55.05507	7.6
56.96550	2.8
58.99562	2.9
61.02915	1.7
65.03929	9.3
67.05505	7.4
69.03407	1.9
69.07059	2.3
70.06583	1.8
71.04962	1.3
71.59734	1.3
71.60136	1.6
72.08144	1.7
73.02906	1.5
79.05473	5.0
79.10362	1.4
81.03417	2.7
81.07057	9.4
83.08600	4.4
84.05612	1.5
84.08153	2.1
85.02896	2.0
86.99027	4.1
91.05470	8.2
92.03171	1.4
92.05003	4.9
92.05769	1.7
93.07025	5.7
94.06552	2.4
95.04953	3.2
95.06065	1.5
95.08591	4.9
97.02867	2.2
105.07014	5.8
107.04939	4.0
107.07314	4.0
107.08582	5.1
108.08107	14.0
109.06498	3.1
109.10114	2.9
110.06045	3.0
116.01677	16.6
116.04990	4.1
119.08567	3.8
120.04472	12.1
121.06496	2.4
121.10092	2.9
122.06027	8.0
122.09680	6.3
131.08549	2.2
133.10112	3.9
135.08017	1.8
136.07576	4.2
138.05489	2.0
138.09116	3.4
143.08575	1.4
144.01146	5.1
144.04449	5.4
145.10130	2.0
148.03925	100.0
149.04247	2.8
150.09131	47.3
150.10323	2.3
156.10175	4.4
157.10178	1.9
160.97275	1.5
162.02194	17.8
162.05515	6.8
166.04996	66.7
171.08308	1.3
172.03923	33.1
173.04431	1.5
173.05931	3.1
175.14757	1.6
190.05013	14.3
192.93654	1.7
204.06538	59.8
205.06894	2.0
222.07701	1.4
229.13380	1.6
240.76582	1.4
244.40388	1.2
257.12863	20.1
262.11087	4.1
285.12329	95.2
286.12543	4.0
327.13385	17.8
341.15024	1.4
359.20172	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	359.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91154	0.5
61.42197	0.4
65.93383	0.5
67.05505	0.6
69.07040	0.5
69.80162	1.9
69.80564	1.0
70.06590	1.7
72.08127	1.1
77.07790	0.4
78.84383	0.5
79.05497	0.6
81.03384	0.5
81.07048	0.8
84.08122	1.1
85.02914	0.8
86.09697	1.7
93.06976	0.5
95.04948	0.5
95.06097	0.5
95.23956	0.5
97.24050	0.5
107.04947	1.4
109.06438	0.6
111.05592	1.0
119.01929	3.5
131.01920	1.3
137.06027	0.5
138.81520	0.5
143.01866	0.8
145.03488	2.5
155.01884	0.9
157.03424	0.7
161.02956	0.7
171.93730	0.6
173.02968	1.3
180.23660	0.5
187.00890	1.0
212.52370	0.5
213.09778	0.7
227.05252	0.7
271.04239	1.3
273.13214	2.6
291.12909	2.3
309.13934	1.2
315.14127	16.5
327.10611	0.6
341.20657	0.8
359.13104	100.0
360.13434	2.3
377.01752	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	359.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18834	0.6
60.04478	0.7
70.06584	1.0
70.71682	1.3
70.72025	0.9
72.08125	1.0
81.03410	0.8
81.07053	0.7
85.02888	1.0
86.09703	1.3
97.02888	0.7
101.00851	0.8
107.04926	1.7
111.05566	0.7
119.01867	3.0
127.00043	0.8
131.01917	1.2
145.03430	1.5
155.01868	1.1
157.03529	0.7
163.04475	0.9
168.37379	0.7
173.03088	0.7
185.02850	0.8
187.00900	0.8
271.04251	1.3
273.12949	1.8
291.12854	2.6
309.14154	1.4
315.14105	16.8
359.13083	100.0
360.13434	1.9
377.01825	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	358.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75477	0.8
55.05503	0.9
56.99631	0.7
67.05472	1.1
70.06582	3.5
71.58238	1.3
72.08136	2.6
79.05456	1.0
81.07034	2.3
84.08135	1.4
86.06055	3.8
86.09707	100.0
91.05484	1.0
93.07022	0.8
95.08638	0.9
99.08044	0.8
104.10725	0.9
107.04945	2.0
110.07162	0.9
114.05527	1.8
128.07085	1.1
132.10167	1.5
132.43982	0.8
165.74278	0.9
191.41801	0.9
199.14339	0.9
227.13953	4.6
233.58128	0.8
245.18591	7.1
259.16418	0.8
268.62531	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	25.4
60.16052	20.4
60.16803	19.8
61.62712	26.3
64.46281	22.3
67.05486	100.0
69.07061	95.7
70.55997	81.9
71.04971	40.7
79.05475	74.8
81.03414	28.5
81.07045	78.9
89.04021	20.9
91.05473	54.7
93.07018	51.2
95.04965	31.8
95.08591	63.6
97.06540	71.8
105.06989	34.5
108.27367	26.6
108.54891	21.4
109.06470	36.5
109.10130	24.5
115.07558	33.4
131.08543	39.7
135.11679	28.9
147.11649	23.7
149.30476	24.2
157.93396	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	358.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
53.62931	1.9
55.05506	14.5
56.96548	4.5
57.03411	4.8
57.07065	3.7
67.05509	14.6
69.03414	3.1
69.07059	18.2
69.56988	10.2
69.57415	6.2
70.04078	20.6
71.04986	4.1
79.05067	2.0
79.05493	29.0
79.07790	2.3
80.05012	13.0
81.03416	6.9
81.07053	13.9
83.04973	4.7
83.08607	3.4
85.02900	2.9
91.05468	36.6
93.07024	11.9
95.04955	10.9
95.08588	10.9
97.06522	60.9
97.10143	3.2
99.08067	3.3
103.05459	20.2
105.06412	3.0
105.07010	15.3
107.04945	18.8
107.08570	7.6
109.06464	4.2
109.10149	2.9
113.05975	2.0
115.07559	7.4
117.07009	6.9
119.08595	5.8
121.06488	4.3
121.10156	5.0
123.08073	2.3
124.19886	2.2
128.06186	2.1
131.04898	5.8
131.08539	5.3
133.10104	6.9
135.11661	5.6
139.03113	2.7
143.08533	3.2
144.57626	2.0
145.10106	5.6
147.11719	2.5
155.08492	2.3
159.11713	2.9
165.06961	4.8
167.07263	2.1
168.08112	5.7
169.08844	2.3
170.09634	16.2
177.12767	2.1
179.08498	8.7
180.09314	5.7
182.09616	21.7
184.11203	11.7
195.13646	2.5
215.02618	12.9
215.06264	4.2
217.02249	25.5
223.99547	2.8
228.10144	17.9
250.98343	22.2
251.99112	8.1
252.98076	9.3
253.98752	3.9
266.18976	3.1
288.95755	51.0
289.96030	4.2
294.18460	18.4
310.18008	2.9
312.19547	91.2
313.19815	4.9
324.06754	2.2
340.18884	4.7
357.99350	2.3
358.04465	4.2
358.20074	100.0
359.20355	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	358.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.5
57.07067	1.3
58.99568	4.7
59.04998	4.7
67.05505	7.1
69.03419	2.1
69.07062	27.9
69.33070	7.7
71.04984	3.2
73.01139	6.1
74.00631	2.2
76.02229	6.8
79.05488	3.8
81.07053	23.3
83.08623	2.1
83.54641	0.9
86.99033	3.1
87.04460	17.5
88.02216	4.0
88.03987	2.6
91.02170	10.9
91.05472	3.6
93.07037	10.4
94.06554	1.4
95.04956	19.3
95.08585	10.4
97.06510	2.4
97.10162	1.3
98.06090	1.2
99.02671	1.4
100.02209	3.7
101.00606	6.1
105.00104	5.1
105.07034	7.2
107.04942	9.6
107.08576	11.4
108.05315	1.0
109.06511	8.2
109.10133	8.4
110.45192	0.8
111.08096	2.1
113.15366	0.9
113.21865	0.8
117.07054	1.3
117.33292	0.9
119.01629	100.0
119.08546	5.5
121.06474	1.7
121.10148	7.4
122.02718	53.0
122.06068	1.2
123.08071	2.0
123.11671	8.2
124.07585	3.6
125.09636	4.5
126.03746	1.4
127.02118	1.1
129.03682	1.3
131.08572	3.2
131.36880	1.1
133.10139	3.1
135.08052	3.8
135.11693	4.5
137.09665	2.3
139.11201	1.2
144.04805	2.2
144.09290	1.0
145.03139	5.1
145.10127	6.5
146.02692	2.8
146.05899	0.9
147.11630	2.2
149.09592	2.0
149.13234	5.4
151.11186	3.7
157.10046	1.0
159.11674	5.7
161.13266	1.9
162.05765	1.8
163.11203	2.8
172.04163	5.7
173.02736	1.3
173.13316	1.3
176.12077	1.0
177.12791	1.3
177.16389	1.1
190.05280	10.2
191.03705	14.1
191.05312	1.4
198.05740	1.0
201.16331	11.3
204.06534	1.3
205.06932	1.4
208.06372	47.4
214.17928	5.5
219.17416	18.8
241.89450	1.0
251.14803	1.2
252.10187	10.8
322.18250	4.6
340.19299	2.8
343.40845	1.1
358.20358	4.1
367.67462	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.6
55.01868	1.3
55.05509	6.6
57.03437	1.4
57.07062	3.2
58.99577	5.1
59.04995	4.2
61.01123	1.1
61.02951	0.9
62.57533	0.8
65.03931	2.9
67.05500	13.9
68.42513	1.0
69.01308	0.9
69.03423	5.4
69.07060	47.7
70.06585	2.7
71.04978	6.2
71.59783	1.6
72.08149	2.2
73.01145	7.4
74.00661	2.1
76.02213	8.1
77.98379	1.0
79.05489	10.8
80.05015	0.9
81.07047	46.9
83.08616	3.3
84.08109	2.4
85.01104	2.3
85.02879	1.6
85.06529	1.5
86.00645	2.8
86.06058	4.0
86.09698	35.4
86.99065	3.0
87.02669	2.4
87.04465	26.2
88.02209	6.5
88.03970	4.6
89.03937	0.9
90.05531	1.2
91.02164	11.5
91.05478	10.6
92.05784	1.2
93.07035	25.3
94.06586	2.2
94.07400	1.1
95.04957	17.5
95.06059	1.2
95.08598	18.6
96.08139	1.6
97.06532	4.9
97.10130	1.4
98.06061	1.5
99.02692	3.6
99.04433	1.1
100.02193	10.0
101.00594	6.8
103.02190	1.3
103.05502	2.0
104.07087	1.1
105.00095	5.1
105.07011	14.0
107.04948	11.6
107.07854	2.0
107.08576	26.2
107.09281	1.6
108.05302	1.4
108.08123	2.4
108.08907	0.9
109.06505	12.1
109.10140	16.2
109.10825	1.4
110.06051	2.6
110.07158	1.8
111.08087	3.3
113.05999	1.5
115.02157	1.9
115.03922	4.4
116.01704	2.0
116.04977	1.0
117.07042	2.4
119.01632	100.0
119.08570	9.0
120.01166	1.5
120.04465	2.2
120.08115	1.8
121.06459	6.7
121.10133	10.1
122.02711	54.2
122.06000	4.7
123.08067	5.5
123.11697	16.2
125.09624	5.8
126.03716	2.6
128.07094	3.1
130.07811	1.1
131.08559	6.2
132.01155	3.9
133.10110	5.8
135.08035	6.8
135.11690	13.6
136.07576	2.8
137.05992	1.2
137.07899	1.3
137.09625	3.6
139.11171	1.2
140.07114	1.5
141.38406	0.9
143.08542	2.4
144.04533	3.8
145.03186	5.1
145.04811	1.8
145.10110	15.4
146.02698	8.0
146.05977	1.6
147.08012	1.0
147.11655	5.3
149.09630	3.3
149.13251	8.9
151.03952	1.0
151.11165	5.2
157.06421	1.0
157.10153	2.5
158.10767	0.9
159.11662	13.2
161.13260	4.0
162.05617	1.1
163.11200	6.5
164.03758	1.5
165.57658	1.0
166.08614	2.1
172.04105	15.5
173.02699	3.0
173.04295	7.0
173.13222	2.3
174.05704	1.3
175.14873	1.5
177.12878	1.3
177.16367	1.5
186.05835	1.7
187.04213	1.4
190.05276	8.9
191.03693	13.1
191.17880	1.0
196.02824	1.2
198.05797	2.3
200.02327	2.1
201.12788	1.1
201.16379	16.6
204.06560	12.1
205.06882	14.5
208.06367	38.9
212.95599	1.2
216.07053	1.1
219.13907	2.5
219.17422	28.2
227.06178	0.9
227.13916	1.4
228.10559	3.8
237.14809	2.1
245.18646	3.3
251.14622	2.2
269.15652	1.5
273.12259	1.0
279.11234	1.0
291.10794	1.5
322.18311	8.1
326.20486	2.1
340.19348	2.7
343.11176	4.8
358.19751	3.4
359.19931	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	358.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96647	2.9
51.09885	3.3
55.01875	4.9
55.05496	8.9
56.05022	3.3
56.96550	5.6
57.03418	5.9
57.20316	3.2
58.99578	4.7
59.05000	6.0
59.35736	3.1
61.01159	4.3
65.03892	3.0
67.05495	20.9
69.03422	5.0
69.07066	57.8
69.59252	28.4
70.06575	12.9
71.04981	13.6
72.08141	8.1
73.01122	8.6
73.02888	3.6
76.02242	8.4
79.05479	22.1
81.07048	59.3
82.06578	6.3
83.04988	5.4
83.08630	7.9
85.02906	5.1
85.06512	4.6
86.06054	6.9
86.09698	47.8
86.99054	3.9
87.04462	28.3
88.02198	5.6
91.02144	9.8
91.05467	19.5
93.07036	28.4
94.06553	11.7
95.04997	20.6
95.06111	4.3
95.08588	24.1
97.06519	14.0
98.06002	4.9
98.09693	3.5
99.02715	5.1
100.02216	9.3
101.00584	5.5
105.00076	5.3
105.07008	18.6
107.04948	62.9
107.08588	31.6
108.05273	15.1
108.08146	4.5
109.06505	11.9
109.10130	20.0
110.06052	6.0
110.09640	4.9
111.08080	4.1
114.05522	4.5
116.04985	6.7
117.06960	3.7
118.03371	3.2
119.01633	100.0
119.08555	12.5
120.08069	6.4
121.02845	8.1
121.06497	8.8
121.10101	11.5
122.02709	53.3
122.06037	27.4
123.04453	3.8
123.08027	7.1
123.11671	15.0
125.09663	5.3
126.03689	3.9
128.07056	15.4
128.13287	4.3
131.08562	4.9
133.10107	8.2
135.08054	7.7
135.11676	11.4
135.99385	3.3
136.07600	9.4
137.05986	6.3
140.07080	5.6
144.04472	8.0
145.03149	7.7
145.04770	9.9
145.10085	14.5
146.02695	9.2
146.05975	4.3
147.11708	6.4
149.09569	6.2
149.13232	10.4
151.11160	7.1
158.97639	5.3
159.11693	18.6
162.05644	4.4
163.11182	9.9
166.08553	4.7
172.04013	29.9
173.04289	29.3
173.13240	5.0
190.05354	8.4
191.03781	12.4
201.16347	21.5
204.06569	47.8
205.06885	46.2
208.06361	39.5
219.17406	22.9
228.10547	4.7
249.57094	3.8
251.14661	5.5
272.05304	12.5
279.35211	4.0
279.58157	10.7
288.58514	12.8
310.48306	3.7
312.16876	4.0
322.18350	8.2
340.19345	4.9
358.14774	6.6
358.19333	31.0
359.15836	53.4
359.19821	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	358.201
Annotation	Protostephanine
Peak:m/z	Relative Intensity
52.49855	0.2
53.03930	0.4
55.05503	0.9
57.06812	0.3
57.07068	2.8
60.58524	0.3
67.05489	0.5
69.56818	0.5
69.57222	1.8
70.04075	0.7
73.05634	0.3
78.84756	0.2
79.05492	1.3
80.04998	0.6
81.07009	0.4
82.06580	0.6
83.08626	0.4
91.05460	0.9
93.07044	0.5
94.06557	5.2
95.04946	1.1
95.07334	0.3
95.08568	0.5
95.59486	0.2
96.08134	0.4
98.21468	0.6
98.97642	0.2
106.06551	0.8
107.04943	66.0
108.05275	0.6
108.08122	2.4
110.06056	0.4
118.06579	0.3
119.04964	0.4
120.04469	0.6
120.08117	0.5
121.06486	1.1
121.10154	0.4
122.06010	1.8
124.07569	2.0
131.04938	0.4
136.07547	2.0
137.05785	0.3
146.06006	0.4
165.06970	0.6
168.08066	0.7
170.05988	8.2
172.07802	0.3
179.08525	1.2
180.09338	0.9
183.06842	0.4
184.07559	2.2
185.08342	9.0
186.09122	2.0
196.07573	1.0
198.09099	4.3
200.10684	1.0
206.15361	0.5
210.09158	0.5
211.09895	1.1
211.89087	0.3
212.10735	2.6
214.08640	1.9
214.10390	0.3
215.06212	1.0
216.10114	0.4
216.13860	0.7
217.05928	0.4
218.15410	1.2
224.16476	0.4
228.10155	1.2
229.10971	1.1
230.11688	0.9
231.12245	2.1
234.14899	1.6
236.16428	1.9
247.05035	0.5
252.15919	4.7
264.15857	1.0
268.16965	0.6
275.04541	0.4
296.16412	1.0
302.05673	0.3
314.17429	1.6
340.19101	0.6
358.20074	100.0
359.20490	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	358.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82766	5.5
52.87284	5.6
55.01873	6.7
55.05501	7.8
56.96547	10.7
67.05500	9.1
69.59560	14.8
69.59985	31.7
70.06593	32.9
72.08138	27.9
79.05476	12.6
81.07045	18.8
84.04507	13.7
84.08127	26.3
86.09702	58.8
91.05477	13.7
93.07038	11.0
95.04903	9.7
103.05489	11.9
107.04955	100.0
107.07092	5.6
109.06460	7.1
109.10207	5.3
117.07006	12.4
119.04900	11.4
120.08127	7.2
121.06480	7.2
122.18974	5.4
123.04413	13.6
129.07005	16.9
129.10204	8.8
131.04938	52.6
136.07565	11.4
145.06512	27.0
146.05928	7.4
146.11760	7.7
148.07501	8.9
149.06018	11.9
157.06525	29.6
159.08104	8.8
161.05905	7.1
162.09096	14.6
174.09142	10.5
175.07637	8.4
181.06433	6.9
184.07375	5.8
185.16455	16.7
192.10217	22.6
194.07120	6.2
207.07924	10.1
225.09154	22.7
233.09558	6.1
237.09100	15.5
247.47635	6.3
249.09196	7.4
251.10455	7.6
263.10645	12.0
267.10083	11.9
268.13245	35.9
280.13226	8.0
298.14438	16.2
309.04990	5.6
310.14355	11.3
322.14264	7.1
333.95483	5.9
340.15250	18.3
350.91415	6.5
358.16476	29.1
359.19873	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	357.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	31.0
56.05849	2.9
57.03423	4.4
57.07082	14.4
63.70026	2.0
67.02357	1.8
67.05505	28.3
69.07069	41.4
69.99577	3.3
69.99988	6.4
70.06602	12.1
71.08622	9.5
73.02923	1.9
79.05497	18.3
81.07050	31.4
83.08619	26.8
85.10161	4.6
88.07619	9.8
89.07953	3.3
91.05450	2.7
93.07046	19.5
95.08611	29.1
97.06534	10.1
97.10173	15.7
102.09172	3.0
103.03905	2.8
106.08662	7.7
107.08566	16.5
109.10135	16.2
111.08070	4.6
111.11745	5.1
121.10142	33.3
123.11710	5.2
125.09635	2.1
133.39909	2.0
135.11691	23.9
137.13237	2.6
139.11160	1.8
149.13261	16.7
149.91811	2.4
151.14894	3.4
151.94487	2.0
163.14832	3.4
165.16342	2.7
247.24216	28.5
265.25284	20.6
283.26144	2.3
335.20709	2.3
339.28992	12.4
339.34512	6.3
357.26089	12.9
357.35553	100.0
358.26080	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	358.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92353	0.6
53.03916	0.7
55.01863	1.9
55.05512	28.6
56.05023	1.8
57.03434	9.2
60.04506	1.5
60.56824	0.5
62.52253	0.6
63.58477	0.6
65.03969	0.7
67.05512	5.0
68.05006	0.7
68.36130	0.5
69.03414	2.0
69.07070	7.1
70.02934	0.7
70.06593	25.8
70.97955	0.8
70.98296	0.9
71.06914	1.8
72.08158	8.9
74.06052	1.2
74.21939	0.6
76.02187	0.7
79.05495	11.6
81.07054	7.9
83.04970	2.7
83.08158	0.6
83.08621	11.1
84.04499	6.2
84.08144	14.8
84.30459	0.6
85.02906	1.2
85.08490	0.7
86.06066	1.2
86.09220	1.2
86.09708	17.3
87.10027	0.8
88.03971	1.7
91.05471	0.7
91.21059	0.5
95.04931	0.7
95.08588	1.1
97.10169	24.3
98.06057	0.6
98.98441	2.3
102.05558	1.7
103.05433	0.7
105.07014	0.7
107.04958	3.0
107.08598	10.3
110.07149	3.8
111.09148	0.7
112.08697	1.2
115.08694	1.2
116.07074	2.5
120.08091	2.4
125.09635	15.2
127.08726	0.8
129.10228	7.1
130.05011	1.5
132.10240	1.1
136.07607	1.4
143.10648	2.4
143.48430	0.6
147.07654	0.7
147.11284	1.1
157.13365	0.7
173.02094	1.0
184.07368	0.6
186.14911	1.6
195.11269	0.7
215.13925	0.7
217.14351	100.0
218.14684	1.3
245.14775	0.7
257.02655	0.7
329.20172	0.7
351.50409	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2996
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
51.20781	3.8
53.03933	5.5
54.41251	3.2
55.05509	56.0
56.13302	3.8
56.85675	4.1
57.03428	15.3
57.07073	53.9
67.05499	73.9
69.07062	93.2
69.56459	20.0
69.56869	7.6
71.08624	28.5
72.74749	3.6
79.05479	47.4
81.07051	78.9
83.08612	69.9
85.06526	7.0
85.10165	15.7
87.04448	10.8
88.07574	4.2
91.05433	5.9
91.44125	4.3
93.07037	67.8
95.04983	5.2
95.08603	82.8
97.06522	29.7
97.10175	41.8
99.08072	5.1
107.08593	43.0
108.03011	4.2
109.10152	48.8
111.08070	9.0
111.11692	21.5
121.10133	100.0
123.11680	19.5
125.09698	4.4
135.11670	72.3
137.13245	7.4
139.04071	5.1
139.11089	8.9
149.13226	30.4
151.14806	9.8
153.12755	6.2
163.14809	14.1
165.16353	12.9
167.14186	4.1
177.16324	8.8
191.17928	4.9
205.19569	5.5
247.24223	65.0
265.25223	57.2
276.73416	4.7
283.26355	4.3
290.08344	4.1
339.28946	43.3
350.90402	4.6
357.35550	14.2
362.70715	4.7
368.84079	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	357.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.1
55.05512	47.4
57.03429	9.1
57.07075	25.5
67.05180	3.0
67.05505	42.1
69.06722	4.8
69.07069	62.9
69.28116	6.1
69.28458	31.5
70.06582	12.2
71.08628	17.2
74.83627	2.5
79.05497	32.5
81.07055	55.8
83.08618	43.6
85.10166	10.2
88.07646	13.2
91.05448	6.1
93.07042	39.7
95.04966	3.8
95.08604	52.3
97.06524	23.1
97.10168	33.4
102.09180	4.4
103.03948	5.3
106.08652	4.0
107.08582	29.3
109.10146	32.5
111.08073	9.8
111.11712	9.5
111.76750	3.2
121.09324	3.7
121.10150	55.1
123.11692	9.8
125.09602	5.4
125.13203	3.4
129.05482	4.8
131.08568	3.6
135.11705	44.1
137.13300	3.6
139.11263	4.6
149.13261	18.6
151.14821	5.9
163.14783	9.9
165.16412	5.1
177.16406	4.2
181.15855	2.9
247.24203	45.0
265.25241	34.8
268.75320	3.1
339.28882	21.6
339.34372	4.0
340.29123	3.2
357.35565	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	71.5
57.03423	17.0
57.07072	40.6
58.72132	6.0
67.05505	62.7
69.07069	97.7
69.73914	6.3
70.06580	10.5
71.08634	32.6
71.58321	8.6
75.71172	5.6
79.05492	52.4
81.07060	97.8
83.08617	75.0
85.10130	12.6
91.05445	9.3
93.07043	73.4
95.08612	80.5
97.06559	31.6
97.10185	42.0
107.08590	55.5
107.10199	6.5
109.10163	40.3
111.08067	9.2
111.11717	19.7
121.10152	100.0
123.11718	20.2
125.09644	13.4
131.08530	7.7
135.11697	73.4
137.13269	10.3
139.11086	10.5
147.50800	6.1
149.13272	27.7
151.14830	11.6
157.73784	7.9
163.14780	15.2
165.16348	11.5
177.16368	9.9
197.79539	6.0
247.24207	76.1
265.25266	53.3
297.00848	6.2
306.83725	6.5
310.88315	8.1
339.23355	13.4
339.28873	39.7
357.24252	28.5
357.31454	8.3
357.35556	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	357.2998
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
50.41341	11.2
54.31260	9.1
55.05515	56.4
57.03420	10.8
57.07063	43.9
67.05505	61.7
69.07070	92.7
70.72194	23.5
70.72523	19.4
71.08621	30.0
79.05487	61.2
81.07059	100.0
83.08621	55.8
85.10168	22.7
93.07053	59.9
95.08599	81.2
97.06525	24.7
97.10172	34.6
107.08608	54.9
109.10160	54.7
111.08067	14.6
111.11740	16.2
121.10142	95.7
123.11696	21.7
135.11664	74.3
137.13206	14.6
149.13226	41.4
153.12679	12.8
163.14880	19.3
168.16524	9.4
181.61273	10.1
195.17244	10.7
247.24248	82.4
265.25174	50.0
294.43478	10.9
339.29010	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	72.6
57.03412	13.6
57.07072	57.5
65.31583	9.9
67.05500	84.3
68.56719	13.6
69.07079	95.9
70.71313	27.4
71.08630	27.0
79.05481	38.9
80.16640	10.4
81.07047	100.0
83.08620	62.1
85.10190	20.9
89.91850	10.9
93.07025	67.6
95.08609	72.6
97.06542	31.2
97.10162	23.2
107.08611	51.3
109.10124	39.2
111.11658	13.8
121.10133	84.7
124.28067	10.6
135.11678	47.0
140.66603	12.2
149.13240	19.4
163.14777	12.1
189.16299	16.0
225.11160	13.2
247.24266	56.6
265.25244	43.5
339.28845	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	357.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86693	0.4
52.10621	0.4
55.05514	0.9
56.96563	0.9
57.03439	0.5
67.05497	1.6
69.03429	0.6
69.25088	3.3
69.25510	1.2
70.06593	2.5
72.08153	1.0
79.05503	1.1
81.03429	1.4
81.07056	2.1
83.04993	0.5
84.04476	0.6
84.08137	1.7
86.09691	1.4
88.04060	0.4
91.05471	1.6
93.07032	1.3
95.04982	0.9
95.08606	0.7
97.02892	0.9
99.04379	0.4
105.07013	0.5
107.04961	3.2
107.08568	0.6
109.06522	0.4
110.07162	0.6
111.04445	0.9
117.07026	0.6
120.08118	0.5
121.02856	0.5
121.06503	0.8
125.06026	0.5
127.01139	0.4
129.10320	0.5
131.04913	0.8
133.06476	0.4
137.05974	4.6
144.77122	0.4
145.06465	0.7
147.04442	0.5
151.03891	2.8
153.05467	0.6
167.53397	0.4
169.53615	0.4
172.03940	0.7
175.07504	0.4
182.68283	0.4
184.07353	0.7
195.08055	0.6
237.14854	0.5
239.09515	0.6
247.13397	0.6
255.09169	0.6
257.10748	0.7
269.12366	0.5
275.11423	0.5
283.06268	1.6
283.08832	0.8
283.15002	0.4
301.09616	1.7
309.04385	0.5
325.16052	0.6
333.76321	0.4
357.18820	100.0
358.19180	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	357.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.6
57.07071	100.0
58.07417	1.3
69.07082	0.6
79.05524	0.6
98.25870	0.6
105.07056	2.2
149.74359	0.6
209.11797	1.1
215.19121	0.6
230.53871	1.1
245.13144	0.8
262.15326	0.7
357.35645	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.6
55.01853	0.7
55.05505	1.1
56.96552	1.5
67.05495	2.0
69.03408	0.9
69.07056	1.6
69.32234	4.8
70.06564	1.4
71.05002	0.8
72.08127	0.6
79.05475	1.5
81.03397	2.0
81.07033	2.3
83.04983	0.6
84.04501	0.7
84.08120	0.7
85.02887	1.4
86.09701	1.1
91.05482	2.5
93.07024	1.9
94.06526	1.1
95.04954	1.3
95.06100	0.8
95.08614	1.3
96.08120	0.6
97.02872	1.1
97.06505	1.1
105.07021	1.6
107.04944	7.6
107.08568	0.8
108.05276	0.6
108.08111	0.7
109.02888	0.6
109.10155	1.1
116.04957	3.1
116.98579	0.6
117.06995	0.8
119.01644	1.2
119.08593	1.4
121.02843	0.9
121.06504	0.9
121.10129	1.2
122.02720	0.9
122.06046	1.0
124.07578	0.7
131.08549	1.0
132.50409	0.5
133.06506	0.7
136.07568	2.3
137.05933	2.7
138.09126	0.8
144.04443	5.9
146.05968	1.2
146.97345	0.8
151.03941	0.8
157.09995	0.6
159.11575	0.7
159.97697	0.5
162.05525	2.5
165.98177	0.5
166.08693	0.6
172.03920	22.3
173.04294	0.9
190.04962	0.7
204.06558	33.5
205.06870	1.5
210.41330	0.5
262.89575	1.1
263.89572	0.9
265.05215	1.2
283.06204	4.0
286.89432	0.8
287.89594	0.8
288.27313	0.6
301.07510	0.8
325.11569	0.8
325.20346	0.8
339.12216	0.6
351.94778	0.9
357.14859	3.4
357.18790	100.0
358.19193	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83743	0.2
53.03933	0.3
55.01867	0.4
55.41731	0.2
65.03932	0.7
67.05489	0.9
68.05009	0.4
69.03415	0.3
69.69975	1.5
69.70386	0.4
70.06591	1.4
71.04981	0.3
79.05485	0.8
81.03414	0.8
81.07044	0.6
84.04489	0.5
84.08103	0.4
86.09692	0.7
89.03901	2.1
91.05447	0.6
93.07026	0.7
94.06571	0.5
95.04946	0.6
95.06096	5.3
95.07330	0.3
95.08590	0.3
96.08127	0.9
97.06497	0.3
98.20605	0.3
98.97579	0.3
103.05466	0.4
103.74664	0.2
105.07047	0.4
107.04947	1.7
108.08100	1.0
110.09666	1.4
113.07119	5.6
114.08366	0.2
114.09165	0.3
116.04974	10.3
120.08086	1.8
121.06470	0.5
122.06047	1.8
127.03899	0.4
130.05013	0.3
132.04463	0.3
134.06004	1.1
136.07578	2.1
137.05943	2.0
138.09148	1.1
144.04440	19.3
145.05083	0.4
146.05934	0.8
147.11629	0.4
148.07542	0.8
149.05867	0.3
151.03868	0.3
162.04128	0.4
162.05498	7.0
166.08652	2.3
171.04437	0.2
172.03922	62.1
173.04295	1.0
174.05489	0.5
189.04143	0.3
190.05002	0.7
193.06297	0.3
193.70293	0.3
204.06548	100.0
205.06863	1.8
251.13901	0.3
265.05130	0.4
279.06799	0.4
283.06271	1.1
301.07260	0.4
307.20444	0.3
311.14139	0.3
325.21100	3.9
329.14938	0.3
339.09012	0.3
339.13269	0.6
357.14853	2.5
357.18994	0.8
357.23849	3.2
377.28772	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37871	0.1
59.06120	0.1
63.02369	0.2
65.03928	0.7
67.05487	0.2
67.16779	0.1
69.03441	0.1
69.07086	0.1
69.57767	0.9
70.06564	0.2
75.02361	0.1
76.03124	0.1
77.03931	0.1
79.05495	0.5
79.44687	0.1
81.03392	0.2
81.07062	0.2
82.06589	0.2
86.09711	0.3
89.03905	2.9
91.05456	0.4
92.04972	0.3
93.03384	0.2
93.07035	0.7
94.06559	0.8
95.04959	0.3
95.07345	0.4
95.08624	0.1
96.08118	0.9
97.02908	0.2
97.06523	0.2
103.05412	0.2
105.06986	0.1
107.04941	1.0
108.08112	1.2
109.02848	0.1
110.09672	1.6
116.04966	12.1
118.06527	0.2
120.08089	1.2
121.07516	0.1
122.06018	2.4
124.07572	0.2
131.04964	0.1
131.08493	0.1
132.04433	0.4
132.08095	0.1
133.05258	0.1
134.05991	1.2
136.07570	2.0
137.05952	0.5
138.05415	0.1
138.09137	1.3
144.04433	22.6
144.88815	0.1
145.04948	0.3
146.06001	1.1
148.07530	0.5
154.08606	0.2
160.03899	0.1
161.04645	0.3
162.05493	8.2
166.08623	2.0
172.03914	74.2
173.04277	1.3
174.05443	0.6
176.07022	0.2
189.04189	0.4
190.04958	0.8
197.98727	0.1
202.13333	0.1
204.06538	100.0
205.06868	2.0
208.10330	0.1
223.12152	0.2
231.08806	0.2
236.09276	0.3
251.11693	0.3
279.11139	0.2
297.12018	0.2
307.09897	0.2
325.11664	0.5
325.20163	0.3
329.14743	0.2
339.13269	0.6
357.14212	1.9
357.18655	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.4
56.96547	0.3
61.79245	0.3
63.07363	0.3
65.03923	1.1
65.52694	0.3
67.05498	0.3
70.06573	1.2
71.59656	0.6
72.08128	0.5
79.05466	0.8
81.04528	0.7
81.07062	0.5
84.04478	0.8
84.08120	0.5
85.02874	0.3
85.35044	0.3
86.09711	0.7
86.14044	0.3
87.04474	0.3
89.03914	2.2
91.05453	0.6
93.07010	0.6
94.04131	0.4
94.06540	0.9
95.04965	0.3
95.06071	0.5
95.07403	0.3
95.08588	0.3
96.08126	0.5
98.97565	0.3
101.07174	0.3
103.05431	0.5
105.07020	0.7
107.04939	1.9
108.08122	1.6
110.09668	1.2
115.05399	0.3
116.04967	9.0
116.67617	0.2
117.07010	0.3
120.08067	1.2
122.03635	0.7
122.06013	2.2
124.07561	0.5
127.34753	0.3
129.51720	0.2
133.06444	0.5
134.05980	1.1
136.07585	2.9
137.05966	10.4
138.09145	1.6
143.04878	0.7
144.04431	17.3
146.05989	1.9
147.04309	0.3
148.07648	0.4
150.94952	0.3
151.03903	3.4
161.06003	1.4
162.05490	6.4
163.71410	0.3
166.08588	1.6
167.07156	0.4
172.03914	61.4
173.04295	1.1
174.05499	0.7
190.04968	1.1
203.07031	0.6
204.06540	100.0
205.06856	1.7
251.11749	0.5
269.12808	0.4
275.37592	0.3
325.11700	1.0
327.12106	1.3
329.14822	0.6
339.12906	0.7
351.94568	0.4
357.13742	3.6
357.19916	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48672	0.5
52.28425	0.4
54.68343	0.5
56.05030	0.8
58.40882	0.4
65.03931	4.5
84.04502	17.7
91.05477	90.5
92.05806	1.5
105.37238	0.5
108.08115	26.6
111.04437	3.6
116.04978	0.6
121.02864	100.0
121.03872	3.5
122.03227	1.4
130.04987	2.5
144.04442	0.8
172.03889	4.3
173.10742	3.5
174.09140	18.1
191.11777	17.5
204.06575	6.6
204.08510	0.8
219.11290	18.9
220.08015	0.3
220.09680	14.0
237.12331	26.5
246.12328	0.5
250.07150	0.6
262.38657	0.5
311.13791	1.1
339.13367	2.0
357.14514	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	357.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.3
54.22781	0.2
55.01850	0.4
55.05503	0.3
56.96542	0.4
57.03428	0.3
59.64895	0.2
65.03925	0.9
67.05492	0.8
69.03407	0.4
69.07061	0.4
70.06583	2.2
71.60030	0.4
72.08140	0.7
76.03162	0.4
79.05480	0.9
81.03391	0.5
81.07034	0.6
83.06116	0.3
84.04490	0.6
84.08131	0.8
85.02895	0.3
86.09686	1.1
89.03902	2.0
89.59734	0.2
91.05457	0.7
92.05042	0.3
93.07034	0.8
94.06573	0.5
94.90372	0.2
95.04964	0.7
95.06068	0.4
95.07345	0.4
95.08575	0.4
96.08126	0.7
97.02885	0.4
97.06513	0.7
98.97578	0.4
103.05470	0.3
105.07034	0.6
107.04943	3.4
107.08624	0.3
108.08096	0.8
109.37808	0.2
110.07174	0.4
110.09677	1.1
111.05543	0.4
116.04967	8.4
116.07069	0.3
117.06991	0.2
119.04893	0.3
120.08092	1.1
121.06472	0.3
121.10068	0.3
122.06022	2.1
129.10176	0.3
132.04428	0.3
134.05997	1.0
136.07567	1.9
137.05965	5.2
138.09111	1.3
143.04828	0.3
144.04430	16.3
145.04926	0.2
146.05975	0.7
147.04411	0.4
148.07523	0.5
151.03877	1.0
152.07048	0.3
161.05945	0.4
162.05486	6.0
166.08601	2.1
172.03917	57.2
173.04303	1.3
175.08694	0.3
176.07004	0.3
189.04149	0.3
190.05009	1.0
203.07027	0.3
204.06537	100.0
205.06897	2.3
265.09631	0.2
281.07932	0.2
325.11884	0.4
327.12247	0.9
339.13202	0.7
339.19220	0.4
357.14178	2.2
357.19098	0.7
358.13300	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.4
56.96546	1.7
57.03428	0.6
64.80179	0.4
65.03934	1.0
67.05473	1.8
69.03410	0.7
69.07043	0.8
69.38031	0.5
69.77465	1.0
69.77866	2.4
70.06589	0.7
73.02874	0.7
79.05483	2.3
81.03397	1.9
81.07042	1.9
83.08582	0.7
85.02901	0.8
85.06614	0.5
89.03883	2.0
91.05463	2.9
93.05759	1.1
93.07035	2.4
94.06543	2.7
95.04957	0.9
95.08595	1.0
96.08105	1.1
97.02879	1.1
105.07016	1.0
107.04932	2.9
108.07423	0.9
108.08110	15.5
108.08852	0.8
110.09655	0.9
116.04197	0.8
116.04967	10.0
116.98469	0.5
118.06490	1.5
119.08570	0.8
120.08072	2.0
121.10133	0.7
122.06029	4.4
124.07568	0.9
129.06943	0.6
131.08522	0.8
133.10141	0.6
134.05971	3.1
135.08052	0.6
136.07565	19.8
137.05893	0.6
138.09111	1.8
138.98828	0.5
144.04428	18.2
145.04900	0.6
146.05989	25.6
148.07521	0.9
152.07069	1.3
158.97614	0.9
162.05499	8.8
164.07050	3.2
166.08647	2.3
172.03914	61.8
173.04311	0.8
174.05481	5.2
176.07089	0.6
177.00627	0.5
177.81938	0.5
180.06581	1.0
190.04849	1.2
192.06573	0.7
194.08092	1.9
196.09950	1.0
199.12289	0.5
204.06543	100.0
205.06862	1.8
206.08044	1.9
206.09738	0.8
208.10027	0.8
209.10701	0.7
211.12259	0.9
223.08594	1.6
223.12006	0.6
224.09256	0.6
229.13390	1.6
235.08612	0.8
236.07300	0.5
236.09337	2.8
237.10176	0.7
239.11475	0.7
243.11154	0.5
251.11874	2.3
264.08926	0.9
267.08826	0.6
269.12766	5.3
279.11148	1.1
283.06287	0.6
285.09900	0.8
287.89606	0.6
295.22757	0.8
297.12326	5.0
301.95883	1.0
307.10840	0.5
315.13196	0.6
325.11755	6.4
329.14822	3.7
339.13492	1.1
343.12802	3.7
351.94815	0.6
357.14407	33.1
357.27319	0.7
358.14728	1.2
369.32520	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03994	0.3
55.01913	0.2
55.05562	0.5
56.05071	0.3
56.96630	0.2
57.07116	0.3
60.67508	0.2
65.04011	0.9
67.05579	0.9
69.03513	0.6
69.07140	0.8
70.06664	1.7
71.05048	0.3
71.60361	0.3
72.08205	0.3
78.85673	0.2
79.05565	0.8
81.03489	0.7
81.07108	0.5
82.06624	0.3
83.05028	0.3
83.08655	0.4
83.91512	0.2
84.04565	0.6
84.08211	0.5
85.02989	0.4
86.09769	0.6
87.04502	0.3
89.03901	1.6
91.05508	0.6
92.05145	0.2
93.05837	0.2
93.07106	0.7
94.06639	0.7
95.05051	0.4
95.06142	0.4
95.08668	0.3
96.08131	1.0
97.02922	0.4
97.06590	0.4
100.03423	0.2
100.04034	0.9
100.11314	0.8
101.11629	0.2
103.05524	0.5
105.07017	3.1
107.04945	3.6
107.08636	0.3
108.08118	1.4
108.23802	0.2
109.02922	0.3
110.06110	0.3
110.07221	0.2
110.09695	1.3
111.04489	0.6
112.07677	0.3
114.09164	1.4
115.05508	0.3
115.09548	0.3
116.04965	8.7
118.06500	0.2
120.04520	0.3
120.08163	0.9
121.02916	0.5
121.06544	0.4
121.10123	0.3
122.06013	2.3
122.09637	1.0
124.07627	0.3
127.03950	0.8
128.07060	0.4
129.10339	0.2
130.05090	0.2
132.04466	0.3
134.06046	1.0
136.07552	3.4
137.05957	1.4
138.09161	1.4
141.11485	0.2
144.04428	18.4
145.04961	0.5
146.05977	1.6
148.03915	0.6
148.07607	0.9
149.06035	0.3
151.03920	0.5
154.08591	0.2
160.07518	0.2
161.05960	0.3
162.05496	8.5
163.07487	0.2
166.05046	0.5
166.08640	2.4
167.07007	0.2
172.03912	61.1
173.04277	1.2
173.05853	0.2
174.05513	0.5
176.07034	0.3
182.15454	0.3
190.04935	1.0
204.06534	100.0
205.06874	2.6
210.14679	0.3
218.03452	0.5
222.07352	0.2
234.11073	0.8
234.14803	0.6
237.09886	0.2
251.13857	1.5
259.04868	1.0
269.12805	0.3
279.10818	0.3
283.10745	1.1
297.12289	0.3
307.09268	0.3
311.13397	0.3
325.11868	1.2
327.11768	0.3
329.14694	0.3
339.12671	0.9
357.11823	8.5
357.18686	0.5
358.11978	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
56.05019	0.9
56.96550	0.5
58.99577	2.6
67.05459	0.4
69.03439	0.4
69.68648	0.4
70.06584	3.0
70.11487	1.7
72.08160	0.6
76.01817	0.7
76.02225	7.7
79.05479	1.4
80.05022	0.7
83.06094	0.9
84.04499	26.4
84.08135	2.4
85.02880	0.9
86.09694	0.7
86.99049	2.8
88.03986	0.4
95.04967	1.8
95.06084	1.5
96.06413	0.6
102.05527	1.2
105.00083	4.1
107.04950	100.0
108.05281	2.4
110.99870	0.4
112.08684	0.5
112.11270	0.6
119.04906	0.4
122.02722	46.8
129.10274	0.5
130.04997	15.3
130.05942	0.9
142.03209	4.6
147.04463	0.9
148.05994	0.4
188.03755	5.5
205.06438	0.4
228.06917	2.0
233.05942	1.3
234.04306	6.3
251.06963	40.7
252.07254	0.8
260.84686	0.5
357.07269	0.4
357.11093	2.1
357.21997	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1334
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
53.03934	2.1
54.95931	1.8
55.01867	20.7
56.36668	2.5
57.03445	2.6
61.44927	1.8
65.03929	4.6
67.05504	5.4
69.03426	3.0
69.07046	2.2
70.06588	5.5
70.69662	1.6
70.75748	3.9
70.76118	3.6
72.93796	1.8
76.72954	2.4
79.05492	7.7
81.03421	3.0
81.07054	8.9
84.08131	6.1
85.02932	3.0
86.09696	3.0
89.03909	4.3
91.05466	9.9
93.07015	3.9
94.04180	7.4
95.04960	7.4
97.02902	1.9
99.04456	3.3
103.05462	5.0
105.07051	7.0
107.04949	28.8
109.02911	2.6
109.06507	6.1
111.04442	8.2
115.05446	7.3
116.04984	9.2
117.03340	2.1
121.06499	4.2
122.03638	15.0
122.06028	2.2
125.05991	4.2
131.04912	7.6
133.06490	6.4
136.07558	3.3
137.05974	100.0
143.04948	4.1
144.04466	18.7
144.05629	3.1
145.02785	2.9
145.06485	2.8
146.03629	6.4
147.04379	5.8
149.05963	3.7
150.03050	2.1
151.03928	5.4
153.05475	3.2
155.04886	5.4
156.97818	3.9
157.06502	2.7
158.37743	1.8
159.04456	2.3
160.05208	3.3
161.04741	3.6
161.05972	30.0
162.05475	6.5
162.06779	4.9
163.07454	3.8
165.05505	35.6
165.06926	6.0
166.08723	2.6
167.06992	2.1
172.03926	52.7
172.05193	3.2
173.05971	2.6
174.98914	2.3
175.07555	8.4
177.05450	13.8
178.07745	2.6
179.08575	4.6
181.06508	3.5
183.04399	2.7
183.07988	2.0
187.07541	6.7
189.05505	4.1
189.07016	11.2
190.07750	12.1
191.06984	2.5
191.08517	17.1
194.07307	4.4
195.08080	5.3
197.06105	2.8
200.04538	2.8
202.07800	5.9
203.07022	10.6
203.08676	3.5
204.06561	86.3
205.06522	8.2
206.07265	4.4
207.08121	14.2
208.08846	4.5
215.06882	10.6
216.12346	2.7
217.06528	5.3
218.07275	24.7
219.08075	28.9
220.05257	3.0
220.08784	4.4
221.05957	3.6
222.06808	3.1
223.07428	4.3
229.06384	11.3
231.08032	5.7
233.05975	3.2
233.09593	4.3
234.06752	11.1
235.07521	24.5
236.08334	7.9
237.05525	2.1
245.06007	6.9
246.06779	20.1
246.20874	2.2
247.07530	35.9
248.08353	7.0
249.05521	3.4
249.09122	13.5
250.06238	3.4
250.09755	3.4
250.15549	3.8
251.07101	6.4
251.10690	6.3
253.08537	3.5
255.05235	2.7
257.05948	9.0
258.06653	2.5
259.07468	3.3
261.09113	38.0
261.55273	2.1
262.06238	6.6
263.07001	17.6
264.07758	15.9
265.08514	10.5
267.06885	2.0
267.10001	4.5
268.07043	2.3
269.08112	2.4
274.06259	16.0
275.07047	15.4
276.07852	3.9
277.08618	23.9
278.09317	6.4
279.06839	3.8
279.10056	19.9
281.07990	3.6
283.09518	9.8
284.10388	3.1
289.08600	51.5
290.09244	8.3
291.06534	6.2
292.07245	6.3
293.08231	3.2
293.11795	2.9
294.08871	6.0
295.09680	6.1
306.08801	12.7
307.09637	90.9
308.10049	5.4
309.11044	18.1
321.07559	3.9
321.11224	62.9
324.09961	2.4
325.62274	2.0
327.12274	18.7
339.12332	35.8
357.12888	7.5
357.17657	5.2
357.21375	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
56.96550	1.4
57.03415	1.8
60.04489	0.6
69.03428	2.8
69.63455	4.6
71.34135	0.5
73.02894	2.6
77.00898	1.1
81.03414	3.3
85.02867	1.7
97.02874	4.7
98.97551	1.6
99.04450	0.8
99.81815	0.6
101.00859	1.4
102.94349	1.1
109.02882	4.2
113.03450	0.9
115.02397	1.2
115.03904	0.8
116.98605	1.9
119.01911	7.4
120.95385	0.9
126.02675	1.2
126.75765	0.6
127.02568	1.2
129.52315	0.6
131.01900	2.0
132.52744	0.7
133.03452	1.7
134.96980	1.7
134.99704	1.9
135.99893	0.7
137.02924	2.2
138.05540	0.9
138.52838	0.6
138.96396	2.0
140.97995	3.4
143.01933	1.0
145.03441	2.6
148.03012	1.2
152.97894	3.4
156.97475	26.9
156.98778	1.3
157.03458	4.8
157.97531	0.9
158.99002	1.9
159.01382	0.7
161.01038	0.6
161.02998	4.6
170.99026	61.0
171.99098	2.1
174.53868	1.0
174.98529	36.9
175.04608	1.2
175.98521	0.8
176.46790	0.6
176.97968	0.9
177.00954	12.3
177.02405	0.4
178.01035	1.8
180.97394	2.9
182.99013	10.6
185.02975	2.6
189.00078	100.0
190.00150	3.0
190.99347	0.8
194.00609	0.9
194.99034	17.8
196.96858	1.0
197.00592	24.5
198.00601	0.8
198.98524	44.4
199.98660	1.5
201.00060	13.4
203.02393	0.9
203.03952	3.3
205.00392	1.1
206.00609	0.7
206.99040	1.0
209.00574	14.2
210.98555	2.9
212.01450	1.4
213.00075	94.3
214.00293	3.8
215.01648	32.0
216.01857	1.6
216.99562	14.7
217.03955	0.8
218.99149	1.1
219.01964	6.9
220.02100	2.7
221.05058	1.6
221.99991	0.7
222.04773	0.7
222.98514	4.7
225.00136	6.1
227.01645	41.6
228.01836	1.4
229.00253	1.9
230.00676	0.7
231.01128	30.4
232.01361	1.2
235.99277	0.6
236.01625	2.4
237.00060	14.9
238.97575	0.8
239.01613	2.6
240.99586	10.0
243.01396	1.7
245.00116	1.2
245.02885	5.3
246.98795	1.3
247.01535	3.1
250.00702	0.8
250.03278	0.7
250.97598	0.8
251.01601	1.1
252.99602	2.2
254.02563	0.8
255.01128	69.3
256.01227	3.0
256.96567	0.7
259.00467	1.1
261.00311	1.0
261.03046	1.9
264.99548	1.6
271.01044	1.2
272.99487	0.9
273.02185	13.4
278.02753	3.4
279.01053	3.2
282.97839	0.8
283.00607	2.3
287.00967	1.6
289.02246	0.9
291.00427	1.9
292.00543	0.8
296.98990	1.1
297.02145	9.1
298.02109	0.8
301.01672	99.8
302.01889	5.7
315.00284	2.9
315.03308	21.4
316.03503	1.3
319.02740	11.5
320.02374	1.0
333.01334	2.6
333.04767	6.8
339.03214	1.0
342.04575	1.2
357.04300	72.3
358.04483	5.7
375.05527	23.8
376.05560	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.254
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03434	0.5
55.05509	1.3
56.05022	0.7
56.89647	0.4
57.03437	0.5
59.05002	0.7
61.02913	1.3
67.05499	3.4
68.05017	5.4
68.60024	0.4
69.03418	0.5
69.07062	1.4
70.06584	4.0
71.04984	1.9
71.06796	1.1
72.04510	0.6
72.08144	1.1
76.02208	0.6
79.05495	2.7
80.05024	0.7
80.93973	0.4
81.03374	0.6
81.07050	5.7
82.23480	0.4
83.04984	0.4
83.06095	14.1
83.08615	0.8
83.90074	0.4
84.04506	1.4
84.08135	2.4
85.02894	1.3
85.06535	0.6
86.06080	0.5
86.09691	4.4
88.04005	0.9
91.05483	1.4
93.07049	2.1
94.06555	1.1
95.06081	100.0
95.08592	1.4
96.04494	0.5
96.06406	1.1
97.06532	1.2
100.03977	0.7
102.05571	0.4
105.07031	1.4
107.04944	15.8
107.06010	2.7
107.08591	1.0
108.05296	1.9
109.07635	1.7
109.10115	0.6
110.07158	0.8
111.05540	1.4
112.08718	36.7
113.07114	7.7
114.09143	0.5
117.07038	0.5
119.04913	0.7
119.06064	0.5
120.08089	1.6
121.07623	4.8
121.10133	0.6
122.02713	2.0
122.07175	0.8
128.03395	1.9
129.10234	1.1
130.05005	1.5
131.04913	1.0
131.08592	0.7
133.06560	0.5
133.10123	1.0
135.08125	0.5
135.09113	0.5
135.11652	0.9
136.07542	0.6
138.10234	2.8
143.05173	0.4
147.04396	1.9
147.07639	0.6
148.07553	1.1
149.09612	0.5
149.13264	0.6
159.08038	0.7
159.11627	0.5
160.05998	0.6
164.07043	0.4
172.03925	0.5
176.07053	0.5
194.05725	0.8
194.08127	0.6
195.01143	0.8
204.06505	0.8
232.08139	1.3
235.12601	0.4
250.09280	0.8
259.18054	4.6
262.89301	0.7
265.19162	0.5
277.19080	19.8
289.19116	1.0
295.20181	1.3
306.21774	1.0
307.20102	5.4
321.18027	0.9
321.21585	0.6
324.22781	61.0
325.23132	3.0
338.15671	0.8
339.19073	1.7
339.22711	1.2
350.94745	0.5
356.21719	3.8
356.25421	48.9
357.11484	0.7
357.15604	0.6
357.19949	0.6
357.25696	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	356.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.5
56.05031	0.9
57.03432	0.7
60.33049	0.5
67.05486	1.7
68.05026	5.7
69.03418	1.3
69.07069	1.0
69.80274	3.2
70.06595	7.0
72.08137	1.2
73.02901	0.8
74.87215	0.6
79.05486	1.6
81.03388	0.5
81.07034	1.8
83.04982	1.2
83.06100	18.5
84.04506	2.3
84.08142	3.6
85.02895	1.3
86.06061	1.1
86.09698	2.2
88.03983	0.5
88.87764	0.6
91.05435	1.1
93.07025	1.6
95.06084	97.8
96.06419	0.9
97.06502	1.1
98.09718	0.5
99.04438	0.6
100.07618	0.9
103.73131	0.5
105.07009	0.9
107.04955	9.9
107.08601	0.9
108.05292	0.9
110.07149	1.9
111.04429	1.9
112.08725	18.1
113.07114	10.6
116.81010	0.5
116.98655	0.5
119.04951	2.3
119.08585	0.9
120.08076	0.8
121.06586	0.5
121.07614	0.7
121.10089	0.8
122.02715	1.0
123.04452	1.2
128.85719	0.5
129.10251	1.0
134.99638	0.5
135.11674	1.1
136.06171	0.5
137.05925	0.5
138.10213	0.9
145.02846	1.1
147.04404	5.4
147.67126	0.5
148.07579	1.4
149.09547	0.7
156.07692	0.9
163.11171	0.7
164.21135	0.5
177.05482	1.2
180.85316	0.5
181.12138	0.5
189.60443	0.5
220.92084	0.5
244.88361	0.6
250.09235	0.6
250.11845	0.8
251.06892	1.0
262.89499	1.8
286.89484	2.5
288.85535	0.6
296.19699	3.0
304.90558	1.1
308.93472	0.6
320.19806	1.2
321.18054	2.0
327.19135	4.7
338.20663	1.7
339.19113	13.1
350.94669	4.0
351.94659	0.9
356.21765	100.0
357.22165	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.5
55.05511	3.1
57.03436	18.0
57.26083	1.4
67.05492	5.3
69.03427	1.9
69.07071	17.3
70.06606	9.6
70.17912	7.5
71.04984	4.6
72.08154	28.5
73.08485	7.8
79.05489	9.4
80.05006	8.6
81.05336	2.6
81.07067	7.9
84.04526	2.8
84.08141	4.0
85.02918	1.7
85.06562	1.7
86.09709	91.3
91.05441	20.7
92.05811	1.6
93.07037	5.6
94.94802	2.1
95.04968	6.2
95.08591	2.6
97.06524	2.7
97.10156	2.0
100.11221	3.0
103.05560	1.7
105.07024	11.7
107.04948	18.7
107.08589	4.0
109.06503	7.3
110.07156	1.8
116.04989	2.1
117.07032	2.4
119.04916	2.5
119.07816	1.5
119.08574	10.0
120.08143	2.0
121.06491	4.7
121.10136	2.5
123.08066	5.4
123.09972	2.1
125.06011	2.8
129.07028	3.6
131.08575	2.2
132.10223	13.8
133.06493	5.5
133.10126	6.5
134.09641	5.6
135.04420	17.4
135.09972	6.5
137.05978	8.7
143.08546	3.3
144.04413	2.1
145.10120	4.4
147.08040	39.2
149.05981	3.6
151.07545	100.0
161.09622	21.0
163.11264	7.8
165.05534	4.7
165.09114	3.3
172.03937	5.4
179.10661	14.0
189.09117	22.0
192.13823	3.2
193.14133	4.0
204.06548	7.8
206.11794	6.5
207.08221	3.3
207.10178	58.7
208.10497	1.8
220.13315	4.0
224.12756	3.0
225.11081	2.0
247.18845	5.5
264.21487	2.2
274.18015	30.6
285.18817	3.5
292.19064	45.1
293.19437	3.2
310.88083	1.7
320.18567	68.0
321.18677	2.6
338.19547	7.3
339.23404	9.6
356.21509	2.3
356.26120	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	356.12
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41455	0.6
55.01871	1.0
57.03440	1.0
69.03426	0.8
70.06587	5.0
71.57331	1.0
72.08125	1.6
73.04749	1.3
76.03972	1.0
83.06103	1.5
84.04517	3.2
84.08142	4.1
85.02905	1.5
86.09689	1.5
91.05809	9.0
92.05678	1.8
92.06210	0.8
93.24940	0.7
104.68823	0.7
107.04940	2.8
110.07192	3.4
119.22096	0.7
120.08112	0.8
129.10234	1.3
129.82857	0.7
130.04994	1.4
133.04967	0.8
133.06447	0.7
136.06186	100.0
137.06575	1.5
150.42160	0.7
165.10132	0.7
178.07222	0.7
206.04890	0.7
251.96620	0.7
268.10397	21.7
269.10703	1.1
269.97919	1.6
276.07623	1.0
285.01065	1.3
286.01044	1.3
287.00867	0.9
356.07150	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.2
56.96289	2.1
56.96560	31.1
57.07058	3.6
62.18042	1.1
67.05502	1.6
67.44008	1.0
69.07065	2.0
69.50859	1.1
70.04061	1.9
70.09629	3.7
70.10033	1.9
71.95258	4.7
72.96029	1.6
74.97592	2.2
76.36420	1.1
79.05480	2.4
81.07047	2.8
84.96040	2.2
91.05458	1.7
92.98617	1.0
95.08607	2.0
97.96827	1.3
105.07037	2.0
107.08597	1.5
110.97585	4.5
123.01210	2.1
128.14412	1.2
128.98584	11.4
132.19923	1.3
133.98875	1.6
134.99696	2.2
139.03070	1.4
141.02206	1.5
145.08493	1.2
146.99643	16.6
155.03758	2.1
160.48907	1.1
161.01225	4.3
161.04826	1.3
165.00699	4.3
171.03235	1.3
179.02254	1.5
189.04326	2.2
203.05930	3.8
215.06079	1.6
224.66708	1.3
227.09421	1.9
241.11215	2.1
243.26730	1.1
259.12170	1.5
262.89175	1.3
263.09564	2.2
270.11475	1.3
281.10727	1.4
286.96066	1.7
303.12527	2.5
308.93677	1.3
315.16257	37.3
316.16605	2.4
331.15808	4.1
333.17340	100.0
334.17807	4.4
349.17032	1.2
350.94553	2.2
351.18411	33.1
352.18839	2.1
356.18851	21.9
356.27875	1.4
357.14655	3.5
357.19873	3.6
374.19925	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	356.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94961	2.8
55.05499	8.1
55.93538	3.2
56.05857	2.9
56.51139	2.8
56.96547	9.5
57.03429	3.2
67.05501	18.5
69.03426	5.7
69.07049	8.4
70.04057	3.1
70.06583	9.1
70.21894	2.7
70.41228	11.2
70.95840	4.0
72.08128	4.6
72.93789	5.7
79.05494	16.2
79.64793	3.1
80.05822	3.4
81.03418	28.0
81.07041	17.9
82.03714	4.2
82.41031	2.5
83.04951	5.2
83.08604	6.2
84.08116	4.9
85.02892	4.7
86.09702	3.9
90.94816	7.8
91.05484	14.8
92.05836	4.7
93.07025	14.1
95.04958	9.9
95.06080	7.2
95.08591	10.1
97.06503	3.5
97.10148	3.5
98.97585	8.4
105.07024	9.3
106.07378	6.0
107.04945	29.6
109.06513	5.5
109.10149	4.6
114.30665	3.2
116.98626	7.8
117.07038	2.7
119.03089	2.6
119.08591	8.9
120.08125	4.3
120.08932	5.0
121.02901	5.3
121.06525	2.7
121.10136	4.1
126.98412	3.2
129.07031	6.9
131.08549	4.8
134.94435	3.2
134.99690	5.5
137.05945	4.3
138.10275	4.0
145.10144	3.6
147.11693	3.7
148.12000	3.8
149.05988	5.1
158.97610	4.9
158.99651	5.4
159.04297	3.7
163.03934	11.1
164.04175	8.2
164.07101	5.5
164.99928	3.3
172.03764	3.4
177.00742	4.7
195.38885	3.3
199.02020	3.0
200.04233	7.3
204.06532	10.7
213.05591	3.8
214.05672	3.6
226.06012	3.2
256.65247	7.5
262.89496	11.6
265.05215	30.4
265.65710	7.7
268.14182	20.6
283.06268	100.0
286.54550	3.0
286.89496	16.2
306.07898	8.3
308.93466	4.4
312.13263	4.3
338.14545	11.0
350.94644	15.3
356.15851	5.5
356.21710	4.0
356.28818	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	356.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.6
59.82072	0.7
60.95945	0.6
61.02920	0.8
65.03927	1.9
67.05496	1.6
69.03419	1.0
69.29981	7.4
70.06585	4.9
72.08116	1.5
79.05470	1.2
81.03430	1.0
83.06125	0.7
84.04487	1.4
84.08116	2.0
85.02883	1.8
85.10139	0.8
86.09707	1.8
87.53922	0.7
91.05470	12.8
95.04971	1.4
95.06087	4.7
95.08600	7.1
97.02926	0.7
100.91872	0.7
105.07001	0.9
107.04289	1.0
107.04942	8.9
108.05249	2.4
112.08697	0.8
113.09624	9.2
119.04092	1.4
119.04933	24.4
120.08115	1.2
121.02867	1.7
121.07576	1.5
128.03413	1.2
129.10205	1.1
131.10661	13.9
137.05914	1.2
138.10214	0.9
141.09052	1.1
145.61865	0.7
147.04396	100.0
148.04706	1.6
148.07541	1.6
164.07022	1.3
177.11281	4.1
201.05380	0.7
202.05872	0.9
217.06499	0.7
232.08179	1.5
250.09219	1.2
269.19434	1.5
286.89355	0.9
296.10837	0.9
324.09482	0.9
324.22717	1.1
356.21823	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.284
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
55.01854	7.6
55.05507	42.4
57.03428	13.5
57.07067	18.1
64.08572	4.8
67.05500	88.6
69.03390	5.0
69.07062	52.1
69.76511	15.8
69.76935	14.4
71.08607	11.5
79.05495	27.5
81.07052	100.0
83.08617	31.4
83.77378	5.5
85.06516	5.9
85.10216	4.6
91.05466	26.4
93.07050	34.6
95.08601	89.1
97.06526	11.4
97.10146	23.6
98.21455	6.2
105.07029	20.8
107.08582	26.1
109.10147	54.1
111.11710	10.3
119.08549	24.2
121.10133	28.0
123.11701	20.8
129.05470	5.2
133.10117	21.4
135.11678	16.8
137.13271	9.3
147.11656	15.8
149.13242	19.5
151.14798	7.8
161.13261	14.4
163.14789	10.2
165.16435	8.0
175.14798	8.1
189.16351	9.8
245.22713	51.7
263.23730	54.0
337.27307	28.2
350.50616	4.5
355.28201	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	355.284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62270	4.4
55.05503	33.1
56.28011	4.6
57.03429	10.6
57.07066	28.5
58.86863	4.7
60.01074	4.4
67.05501	75.8
69.07066	34.1
69.44147	38.6
79.05482	31.4
81.07058	100.0
83.08607	31.7
91.05482	20.1
92.26069	4.3
93.07043	36.7
95.08604	74.7
97.06529	13.2
97.10162	19.7
98.20731	12.1
99.98542	5.1
105.07018	20.0
107.08575	24.0
109.10148	34.5
111.11713	10.9
116.15690	5.0
119.08560	12.4
121.10136	26.6
123.11723	26.5
123.12466	4.6
133.10150	15.8
135.11690	16.6
137.13303	9.8
147.11713	6.8
149.13252	13.1
151.14822	10.7
161.13258	12.9
162.91722	5.2
163.14818	13.9
165.25043	4.8
175.14781	12.3
245.22701	37.4
263.23727	44.5
265.55103	5.0
303.12323	6.3
305.89529	4.7
311.25226	5.5
337.27292	22.5
355.28268	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2841
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.01892	9.4
55.05516	44.9
57.03423	17.7
57.07073	15.1
67.05504	85.7
69.07067	46.6
70.30182	9.1
70.30530	22.5
79.05509	31.6
79.46617	5.7
81.07063	100.0
83.08629	34.1
91.05497	24.4
93.07045	34.4
95.08612	92.2
97.06512	7.6
97.10162	25.2
105.07070	13.1
107.08618	26.2
108.56809	6.6
109.10172	43.0
111.08054	7.4
119.08590	11.5
121.10134	34.1
123.11724	22.6
133.10136	19.1
135.11755	13.0
137.13266	10.1
147.11728	11.6
147.19753	6.3
149.13274	12.1
161.13295	14.9
163.14864	13.1
165.16364	7.8
175.14862	12.9
180.74135	7.0
196.54765	6.8
221.55394	6.3
245.22630	51.2
251.62187	6.0
263.23694	48.6
323.46793	7.0
337.27542	34.5
355.28430	7.1
365.42572	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	355.2841
Annotation	1-Monolinolein
Peak:m/z	Relative Intensity
53.81340	6.2
55.01860	5.9
55.05513	46.9
55.60595	4.6
56.38800	5.5
57.03428	14.7
57.07068	19.1
57.81963	4.8
60.51969	4.8
61.15903	4.6
62.06559	5.1
66.70247	5.8
67.05505	74.6
69.07075	48.4
69.53279	47.3
71.04971	5.1
71.08640	8.9
79.05503	25.7
79.17129	5.6
81.07053	100.0
83.08615	35.2
88.07650	6.4
91.05472	22.9
93.07047	28.3
95.08601	92.0
96.08920	7.1
96.47914	5.3
97.06532	9.7
97.10164	28.4
98.21465	11.6
99.08062	9.3
105.07039	17.5
107.08578	21.2
109.10161	44.5
111.08197	6.5
111.11723	12.0
119.08578	16.9
121.10139	26.6
123.11713	22.5
133.10144	18.7
135.11708	17.6
147.11687	11.9
149.13237	17.5
151.14903	6.8
161.13301	13.4
163.14818	11.1
175.14835	8.8
179.17989	8.6
184.77055	5.7
189.16426	8.5
210.86920	5.7
245.22615	45.0
263.23737	40.3
319.50259	6.0
337.27344	32.8
355.28735	8.6
356.35385	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	355.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78665	1.8
53.03942	2.3
55.01859	1.7
55.05514	37.0
56.70844	1.6
57.03435	9.1
57.07071	16.0
65.03930	2.7
66.83496	1.8
67.05505	74.3
67.84275	1.5
68.05814	1.7
69.07068	47.8
70.06593	2.1
71.04983	2.1
71.08629	7.3
71.58505	2.4
73.04748	2.0
73.79014	1.6
75.04478	1.9
79.05491	26.0
81.07056	100.0
83.05002	2.7
83.08621	31.8
85.06528	3.2
85.10166	4.8
85.16775	1.6
85.62897	1.6
91.05411	16.6
93.07043	34.1
95.04967	3.2
95.08608	85.5
96.08936	2.5
97.06541	11.4
97.10171	26.6
99.08096	4.7
103.66766	1.9
105.07020	18.5
107.08597	24.6
109.10154	45.3
110.10461	3.2
111.08070	5.2
111.11725	8.0
113.09639	3.2
119.08572	15.4
121.10145	33.4
123.11710	24.0
125.09620	3.9
125.13295	2.5
127.11211	1.7
129.05458	2.6
133.10130	16.3
135.11697	20.8
137.09624	3.4
137.13219	8.7
139.11201	2.1
141.12784	2.1
147.11671	14.6
149.13269	19.2
151.11205	2.5
151.14848	9.7
161.13261	12.8
163.14830	15.6
165.12721	3.0
165.16400	8.1
175.14873	13.9
177.16414	4.1
179.17950	4.4
189.16368	5.6
193.15993	2.1
203.17973	3.9
245.22655	51.0
263.23694	45.4
285.00928	3.0
303.02036	2.3
337.27472	20.1
355.28595	4.9
356.35272	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	355.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.2
56.84853	0.7
56.96555	0.9
57.03440	1.9
57.07077	1.0
67.05497	2.4
68.05032	1.0
69.07063	2.9
70.06603	4.3
71.58942	1.1
72.08156	100.0
73.04749	0.9
73.08464	0.9
79.05483	3.0
79.57110	0.7
80.05015	43.1
81.03436	0.8
81.07049	3.1
82.06583	1.0
84.08145	2.2
86.09708	6.1
91.05849	5.0
93.07055	1.7
94.06562	3.0
95.04983	1.6
95.08603	1.4
97.10179	1.0
105.07017	2.3
106.06551	1.5
107.04944	6.7
107.08598	1.4
109.06506	1.1
119.04900	0.9
119.08552	1.0
120.08088	4.0
121.06536	0.9
121.29492	0.8
122.09663	13.1
129.06985	0.8
132.10197	0.9
133.06517	1.4
133.10095	0.8
134.09647	42.9
135.04391	1.4
136.11208	1.5
137.05898	0.9
145.06482	0.9
147.08026	1.4
147.10515	0.9
148.11205	2.5
151.07549	5.5
157.06590	1.4
161.09668	1.0
174.12726	3.7
181.06390	1.0
184.07306	1.0
185.05873	0.9
187.24776	0.8
189.09143	1.2
192.13834	26.7
194.15385	1.5
207.10207	3.1
218.19174	1.0
222.34459	0.8
228.17549	1.5
245.20197	0.8
246.18535	31.3
263.21143	8.5
264.19598	3.4
274.18091	1.1
284.18558	14.9
285.00958	1.5
286.20297	1.3
292.19278	1.2
320.18530	3.1
337.24829	3.0
338.19226	1.5
338.23233	29.2
339.23834	1.2
355.06891	1.0
355.13348	2.3
355.25909	86.3
356.26358	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	355.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
55.01875	0.9
55.05513	4.9
56.96581	0.5
57.03440	1.9
58.06603	1.1
67.05499	2.3
68.05030	2.1
69.03453	0.6
69.07078	2.1
69.54845	4.3
70.06595	4.8
72.08157	100.0
73.04749	0.6
73.08486	1.5
79.05482	3.4
80.05017	38.9
81.05333	0.8
81.07062	2.3
82.06593	0.7
83.08620	1.3
84.08145	2.0
85.02898	0.8
86.06030	0.5
86.09703	8.2
87.10030	1.5
91.05879	2.8
92.59105	0.6
93.07027	1.6
94.06576	3.1
95.04952	0.9
95.08609	1.6
97.02899	0.6
97.10157	1.3
102.05459	0.6
104.10721	0.5
105.07034	1.6
106.06554	1.4
107.04967	2.4
107.08569	1.8
108.08125	0.6
109.06490	0.8
110.07181	1.0
110.09692	0.6
111.08092	0.7
117.07008	1.9
118.07370	0.9
119.08601	1.0
120.08140	2.8
120.08897	0.7
121.06494	0.5
121.08885	1.2
122.09665	20.0
128.10744	1.6
131.08545	1.2
132.08089	1.0
132.08961	0.7
133.10129	0.8
134.09657	32.2
135.10492	0.5
135.11600	0.5
136.06258	0.6
136.08423	1.3
136.11235	1.4
139.12312	0.7
146.09720	0.6
148.11238	1.6
151.40408	0.5
159.08037	0.8
159.11737	0.8
163.07474	1.1
164.07893	0.7
174.12747	3.4
178.09358	0.7
181.08611	0.7
184.07349	0.9
191.08665	0.5
192.13829	19.7
193.14195	0.6
194.15489	1.7
205.08537	1.5
206.08913	2.8
210.14873	3.8
218.19150	0.6
223.07677	0.7
228.17490	1.1
235.07404	0.8
235.13327	0.5
246.18546	25.3
247.18741	1.0
248.16350	0.7
261.09232	0.7
263.21149	8.4
264.19559	13.9
265.19940	1.4
266.17465	1.3
268.97940	0.9
273.14063	0.6
276.19339	0.5
284.18597	13.7
285.00977	1.0
285.18896	0.6
286.20023	0.8
291.17865	4.1
309.18869	1.8
337.24881	9.7
338.19815	1.0
338.23245	24.7
339.23642	1.4
355.07025	1.1
355.17126	1.6
355.25925	70.6
356.21582	0.9
356.26105	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	1.9
67.05488	3.5
69.03384	1.2
70.06583	1.8
71.59418	1.3
73.02916	1.4
73.04745	1.7
78.23476	1.1
82.06580	6.0
84.04469	1.9
91.05830	8.8
98.06057	1.7
107.04939	6.2
108.55907	1.1
110.06031	19.5
121.02853	2.8
126.05506	6.9
128.07085	2.4
136.07568	60.1
138.05492	2.6
140.06995	1.4
146.06021	1.4
147.04390	2.3
152.07108	3.0
157.52438	1.2
158.97368	1.2
163.03801	2.2
164.07053	100.0
165.07317	1.0
182.08110	82.0
188.75627	1.3
198.09155	1.6
230.08141	1.3
234.98991	1.4
244.70506	1.3
255.11397	1.4
256.09775	1.8
259.10757	1.8
268.97803	3.6
285.00958	1.8
286.89697	1.3
301.11844	2.0
302.10156	4.4
319.12811	6.5
320.10938	1.4
332.93674	1.5
350.94659	2.7
355.01175	4.3
355.06857	3.3
355.10965	1.4
355.15311	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.1
55.05515	1.6
56.96590	0.9
62.06088	1.5
65.03925	1.0
67.05495	2.6
69.03398	1.3
69.31508	0.9
70.06581	2.1
71.58582	0.7
72.93765	1.4
73.04774	1.2
74.60473	1.0
79.05494	0.8
81.03413	1.1
82.06574	5.7
84.08124	1.1
85.02900	2.0
89.03944	1.0
91.05812	8.2
93.07019	1.6
95.04963	0.8
95.08595	1.0
97.02870	1.9
98.06046	1.6
98.97567	0.9
107.04941	5.3
107.30033	0.8
108.08151	0.9
110.06039	16.5
121.02864	1.5
126.05484	6.7
128.07109	1.2
132.95796	1.2
135.04405	1.0
136.07564	56.5
137.07951	1.3
138.05516	1.9
140.07068	1.3
145.02818	1.0
147.04367	1.0
150.96902	1.8
152.07042	1.6
156.06598	1.2
158.97322	1.1
162.96980	0.9
163.03853	4.9
164.07054	100.0
165.07446	1.7
170.42085	0.8
176.98465	1.4
182.08115	77.9
183.08490	0.9
183.72388	0.9
184.06024	1.2
194.97449	3.4
209.12810	0.8
210.96880	3.4
212.98477	2.9
228.97963	3.9
234.99033	4.0
237.00768	1.0
252.97867	4.7
256.09714	1.0
259.10706	1.0
262.89484	1.5
264.97806	1.7
268.97836	1.9
278.99509	2.1
285.01041	2.7
286.89413	1.8
288.97964	1.5
301.11807	2.0
302.10181	2.1
319.12845	2.8
320.11176	1.1
336.99905	1.9
350.94775	2.7
355.01077	13.7
355.06641	2.0
355.10760	1.3
356.01410	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.011
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46157	0.7
55.93512	2.6
56.94294	1.7
56.96549	1.3
58.02856	0.8
60.04513	0.7
69.03435	4.7
70.06582	3.9
70.09753	3.2
71.04986	1.2
72.08118	1.3
72.93780	7.9
73.02879	1.4
73.04746	1.2
76.28631	0.8
79.05470	1.7
81.03406	4.5
81.06992	0.8
84.04488	1.1
84.08131	1.9
85.02903	3.9
88.96912	0.8
90.94833	5.1
91.05748	3.1
95.06111	0.8
97.02866	4.6
98.06032	0.7
99.04438	1.5
99.05534	0.8
100.05098	5.3
106.06561	1.6
107.04944	9.8
108.08083	2.2
108.15806	0.8
108.95889	1.4
109.02870	1.9
110.07156	1.4
116.98588	1.0
117.75338	0.7
121.02859	3.7
121.06470	1.3
124.07563	5.4
127.03857	0.8
128.96326	1.8
129.10307	0.8
131.04909	1.7
132.04449	0.9
132.95839	6.7
133.07567	3.0
134.06001	0.9
136.07565	2.6
143.05553	1.1
144.95840	3.8
146.97363	1.0
147.04343	1.2
150.10271	0.8
150.96857	4.0
152.07059	3.0
158.97394	11.1
161.07092	2.6
162.96875	2.5
163.03853	2.3
165.97122	1.1
168.95863	3.5
170.97412	2.1
173.07069	0.9
174.96915	1.2
176.96301	1.2
176.98431	5.3
178.97887	2.3
183.98170	2.7
184.98405	1.9
186.96863	3.7
188.98369	0.9
190.09872	1.2
193.04919	1.6
194.97389	15.6
196.98955	2.6
198.96857	3.2
200.98383	2.0
202.09694	1.1
204.07716	1.7
206.09222	1.3
210.95000	1.6
210.96872	20.0
211.97313	1.6
212.98434	17.4
216.07645	0.9
216.97968	5.9
220.95293	2.0
220.98645	0.9
221.10353	1.6
224.98460	1.8
227.97307	0.7
228.97910	24.7
229.98219	1.9
233.10204	1.4
233.95915	1.3
233.98418	0.9
234.96634	2.0
234.98918	16.1
236.98369	0.9
238.96428	4.7
246.96916	3.5
248.98206	0.9
249.09886	4.5
251.97269	0.9
252.97888	32.1
252.99925	1.6
254.99138	0.9
256.97406	4.3
260.98398	3.0
262.89389	2.0
264.97900	6.3
266.99265	1.0
268.97675	1.5
270.98953	1.8
276.97876	6.0
277.12030	1.3
278.99472	22.1
282.98956	2.5
286.89301	1.8
288.97794	5.3
294.98798	1.5
295.12906	1.3
297.00903	1.1
302.01123	0.9
302.77121	0.8
306.98895	1.7
312.15396	1.1
318.99026	2.5
337.00009	18.1
337.15182	1.8
350.94666	2.3
355.01065	100.0
355.16089	44.5
356.01166	5.3
378.02667	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	354.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.9
53.54837	2.4
55.05509	15.7
55.31991	2.4
57.03419	3.6
57.07064	7.7
65.03938	5.9
67.05505	100.0
68.05844	27.0
68.21412	2.4
69.07063	14.1
69.38000	3.1
69.38399	20.1
70.07412	6.5
71.08630	4.3
72.13785	2.4
78.41976	2.2
79.05494	54.9
79.07311	2.5
80.05831	16.1
81.06583	4.9
81.07056	96.2
82.07392	40.1
83.08612	8.7
83.38509	2.4
84.08941	2.6
85.06532	6.2
87.50990	2.6
91.05460	21.9
92.05827	15.4
93.07040	55.8
94.07369	34.2
95.04936	3.5
95.08610	62.5
96.08930	32.5
97.04761	2.6
97.10190	2.6
98.20827	5.3
99.08083	4.8
101.86399	2.4
105.07049	19.6
106.07359	13.6
107.08594	32.5
108.08923	28.0
109.10153	21.5
110.10487	14.5
113.09633	3.4
117.06981	9.6
118.07378	7.4
119.08597	7.6
120.08916	8.5
121.10143	28.3
122.10479	16.7
123.11681	9.5
124.12013	8.1
131.08571	17.1
132.08894	15.5
133.10141	8.3
134.10443	8.0
135.11682	19.6
136.12021	16.0
137.13252	6.8
138.13545	3.0
145.10141	14.3
146.10403	11.9
147.11690	9.5
148.12012	6.0
149.13260	14.7
150.13580	13.6
159.11687	7.4
160.12018	8.3
161.13255	4.7
162.13597	9.1
163.14816	7.5
164.15178	10.0
173.13281	7.9
174.13570	14.9
176.15112	3.4
177.16289	3.8
178.16696	6.2
187.14857	7.0
188.15176	9.3
202.16823	4.1
234.23022	6.7
243.21065	3.6
244.21414	37.1
261.22012	16.9
262.22495	86.8
263.22714	3.9
335.53918	2.5
336.26172	6.9
354.27142	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	354.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.6
55.05291	2.1
55.05513	15.6
56.05821	3.6
57.03419	4.7
57.07067	11.3
58.07399	2.9
65.03929	2.5
66.85948	2.2
67.05500	92.0
68.05834	25.4
69.07059	21.2
70.07391	2.9
71.05000	2.5
71.08603	3.7
71.12797	6.2
71.56837	2.0
79.05487	60.7
80.05823	21.8
81.07052	100.0
82.07386	35.9
83.08596	8.6
84.08923	2.1
85.06519	4.7
86.06834	1.8
91.05473	29.4
92.05801	10.0
92.06290	1.9
93.06465	4.2
93.07036	74.0
94.07361	31.7
94.85458	1.8
95.04963	7.5
95.08600	67.0
96.08928	30.4
97.06506	4.8
97.10142	7.9
98.06835	3.0
98.10477	2.1
99.08070	5.6
105.07017	19.2
106.07374	11.8
107.08588	34.6
108.08920	19.5
109.06509	3.8
109.10139	28.1
110.10486	14.6
111.11602	2.0
113.09673	2.6
117.06987	6.6
118.07347	5.8
119.08561	14.3
120.08915	10.3
121.09269	3.3
121.10124	25.4
122.10461	16.6
123.08035	3.3
123.11684	11.2
124.12026	7.8
131.08572	18.6
132.08875	17.8
133.10133	9.1
134.10457	7.6
135.11664	21.5
136.12013	18.1
137.09631	2.3
137.13246	6.3
138.13577	3.7
139.11168	2.7
145.10103	11.7
146.10423	12.7
147.11667	10.3
148.12035	9.9
149.13240	14.7
150.13570	17.6
151.14832	2.8
152.15137	3.2
154.13148	2.4
159.11693	8.6
160.12036	9.8
161.13242	5.7
162.13564	8.7
163.14810	13.4
164.15155	16.6
170.41243	2.2
171.11650	2.2
173.13266	11.1
174.13573	14.0
176.15135	2.7
177.16376	2.7
178.16681	6.2
187.14749	5.8
188.15158	9.0
202.16670	4.7
206.16183	2.5
215.02533	7.5
220.17670	2.3
229.07408	2.5
234.22894	10.2
243.21051	6.4
244.21379	39.0
248.98531	2.6
261.22055	16.8
262.22476	95.2
280.23279	2.8
284.96310	10.4
294.24197	2.1
336.26187	11.4
353.99640	3.0
354.26660	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48830	0.8
52.76263	0.8
53.03928	2.3
55.01860	1.6
55.05264	1.3
55.05510	16.2
56.05851	4.8
57.03439	8.2
57.07066	3.3
58.03753	1.2
58.07404	1.1
65.03937	4.1
66.04272	1.1
67.05503	95.2
68.05836	31.7
69.07066	14.8
69.56355	0.7
70.07396	3.5
71.04983	2.6
71.08620	1.6
75.04453	1.4
79.05490	40.9
80.05825	15.5
80.06246	1.6
81.07055	100.0
82.07382	36.4
83.04967	1.4
83.08615	7.8
84.08921	2.2
85.06534	3.0
90.26443	0.9
91.05463	18.3
92.05806	9.3
93.07037	51.0
94.07368	22.5
95.04969	4.0
95.08604	67.5
96.08930	32.6
97.06526	2.8
97.10146	2.4
98.21565	2.6
99.08078	1.3
100.11232	2.0
105.07035	12.9
106.07353	8.0
107.08591	29.4
108.08920	16.9
109.06488	2.2
109.10150	29.9
110.10482	18.1
111.08088	2.0
115.05420	1.0
117.07016	7.4
118.07344	5.0
119.08564	9.4
120.08899	7.7
121.09325	1.7
121.10138	21.9
122.10473	16.3
123.08099	1.1
123.11711	14.9
124.08342	0.9
124.12033	12.5
131.08575	13.0
132.08893	10.2
133.10150	7.3
134.10477	7.7
135.11690	19.1
136.12016	14.4
137.13266	4.5
138.10013	1.0
138.13597	3.5
139.11212	1.2
140.11415	1.1
145.10117	8.7
146.10446	9.8
147.11717	6.9
148.12019	6.1
149.13258	12.9
150.13602	12.7
151.14828	0.8
152.15137	1.4
153.12756	1.0
154.13057	1.3
159.11708	8.7
160.12029	7.8
161.13277	4.3
162.13559	7.3
163.14848	6.4
164.15170	9.4
165.12791	1.6
173.13283	8.2
173.20712	0.9
174.13608	11.0
175.14818	1.8
176.15147	2.9
177.16319	2.0
178.16673	2.3
187.14795	3.6
188.15146	7.1
190.16725	0.9
192.14642	1.8
201.16335	1.1
202.16721	2.9
206.16231	1.7
215.50153	0.9
220.17743	1.5
230.72481	1.6
234.22940	3.6
243.21027	4.3
244.21416	20.2
257.66248	0.8
261.22101	17.8
262.22470	92.4
263.22812	2.4
264.23956	1.0
279.22852	1.1
280.23462	6.9
318.25244	1.3
336.26147	11.4
348.92908	0.9
354.27188	24.4
355.06866	1.0
355.27255	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03902	0.7
55.01815	3.1
55.05455	4.2
56.04987	0.4
56.96531	0.5
57.03365	0.5
57.07066	2.4
60.04491	0.3
63.73652	0.4
67.05497	4.9
69.03382	0.8
69.07066	1.9
69.61776	0.4
70.04038	0.7
70.06581	1.7
70.06870	0.5
70.12358	0.7
70.12764	1.4
71.01292	0.4
71.04961	0.6
72.04458	1.5
72.08090	1.2
74.06023	1.2
74.09657	1.1
79.05495	4.8
80.04955	1.1
81.03414	5.8
81.07051	4.8
82.06506	1.4
83.04907	1.3
83.06049	0.4
83.08603	2.6
84.04485	3.1
84.08126	0.7
85.02840	0.8
85.06490	0.8
86.09618	0.5
88.07578	0.5
91.05469	5.8
91.40059	0.4
93.07040	4.5
94.06509	1.2
95.04964	2.4
95.08605	3.7
96.08046	1.1
97.02847	0.5
97.06456	1.0
97.10146	0.9
98.06023	0.5
100.07549	1.1
100.11265	2.0
103.05389	1.1
105.03290	0.4
105.07021	3.0
106.06506	0.4
107.04955	3.2
107.08582	1.9
108.08038	1.3
109.06469	0.6
109.08876	0.3
109.10155	1.8
110.05969	0.7
110.09625	0.7
111.04395	0.6
112.07545	1.3
115.05390	1.0
115.37933	0.4
115.64552	0.4
116.07056	0.4
117.06971	1.0
119.04887	1.4
119.08585	2.5
120.08040	0.8
121.06508	2.6
121.10133	2.3
122.09680	1.8
123.04346	0.4
123.11649	0.4
124.07578	7.2
126.09063	0.8
128.06184	0.4
129.06934	1.5
130.06487	0.6
131.08490	1.2
133.06403	0.7
133.10048	1.4
134.09612	0.8
135.04318	0.5
136.07536	0.9
136.11180	2.4
137.05907	0.4
138.09122	2.1
138.12726	0.8
139.09837	1.4
140.10689	0.8
141.06946	0.9
142.12187	1.5
143.04892	0.5
143.08469	0.6
145.06409	0.8
145.10036	0.5
146.05971	0.6
147.04387	3.0
147.11610	1.5
149.05962	0.5
149.09561	0.7
150.12685	0.4
151.33058	0.4
152.10693	4.7
153.06987	2.3
153.11421	0.8
154.12248	6.0
156.13828	5.5
157.06407	1.1
157.10121	0.5
159.04382	0.9
161.05899	1.1
163.03893	3.8
164.07002	0.7
165.12701	0.7
166.12257	6.1
167.08418	0.6
167.12964	1.0
168.13774	1.4
169.06398	0.7
171.04332	0.5
171.07947	0.5
171.14879	0.8
172.03786	0.4
173.02309	0.7
173.05925	1.5
175.03883	2.9
175.07401	0.5
175.11115	0.5
177.05475	0.7
180.13666	0.4
181.06458	2.6
182.15334	1.0
183.08058	0.4
184.13313	5.8
185.05963	1.1
187.03813	1.2
189.05405	1.4
192.32100	0.4
193.06468	0.4
195.07982	0.6
197.05919	1.6
199.03856	3.5
199.07567	2.3
200.04570	0.4
201.05461	2.5
207.06474	6.0
210.14844	0.9
211.07478	0.8
213.05409	3.1
214.41466	0.4
217.04951	4.6
222.14963	0.7
225.05414	1.3
227.06998	0.9
228.15869	0.5
233.05235	0.4
237.12627	0.5
239.07034	0.6
239.10587	0.6
239.14177	0.5
241.08626	0.6
243.06445	0.7
246.18463	1.0
248.16492	0.4
250.17979	0.8
264.19547	1.5
265.12164	0.8
266.17532	2.5
266.20132	0.4
267.13806	4.9
280.19080	2.9
281.18411	2.4
283.13257	1.0
283.20337	0.6
285.14746	0.5
292.22620	1.2
293.11646	1.3
301.12155	0.5
308.22092	2.3
309.14700	1.0
309.22501	0.4
310.23730	100.0
310.75388	0.4
311.12808	2.2
311.16193	0.4
311.24048	6.5
312.25226	1.2
323.09128	0.4
336.25824	0.5
337.14426	3.8
353.64807	0.5
354.26413	65.6
355.15491	4.1
355.26791	5.1
373.16373	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2635
Annotation	Methyl tumonoate A
Peak:m/z	Relative Intensity
51.94074	3.7
53.03938	2.0
55.01868	3.1
55.05502	11.4
56.96548	1.3
57.03425	6.7
57.07067	6.3
57.07308	1.1
60.04535	1.2
62.06084	100.0
63.06421	1.6
65.03922	1.2
65.49652	1.0
67.05170	1.3
67.05501	20.9
67.09374	0.9
69.03436	2.7
69.04525	1.6
69.07065	15.4
70.04082	2.0
70.06593	1.7
71.04990	7.6
79.05486	21.3
79.34711	1.0
80.05003	1.0
81.03413	8.6
81.07049	21.1
82.06539	1.7
83.04983	4.9
83.08595	5.7
85.02914	1.1
85.06533	1.6
86.06046	1.5
91.05461	19.3
93.07039	23.2
94.06540	1.2
95.04964	5.3
95.08604	14.9
96.08098	1.7
97.02896	2.1
97.06538	4.2
97.10156	3.7
98.06047	3.9
99.08094	1.5
102.94843	1.1
103.05467	1.1
105.07015	12.5
107.04935	8.3
107.08584	13.4
108.05283	3.1
108.08098	1.8
108.08905	1.1
109.06506	2.5
109.10129	6.7
110.07176	14.0
110.09619	1.3
111.08048	6.1
115.05495	1.4
117.07000	5.7
118.94335	1.0
119.08557	8.9
121.06467	3.9
121.10120	8.9
121.35233	1.1
123.08067	2.7
123.11689	1.9
124.11221	3.4
125.01540	2.0
125.09596	2.7
129.07004	3.7
131.08557	7.8
133.10161	6.4
134.09628	1.5
135.08037	1.6
135.11734	2.1
137.09569	1.5
138.12764	6.2
141.11127	1.1
142.07809	1.1
143.08546	2.7
144.08055	1.2
145.08360	1.2
145.10100	5.6
146.97424	1.6
147.04472	1.2
147.11658	5.1
149.09602	3.0
151.11139	1.5
154.12283	1.6
157.10085	2.0
158.97597	5.0
159.11679	3.9
160.97342	9.2
161.05855	1.3
161.13254	2.6
163.03902	2.9
165.12743	1.1
171.08011	1.3
171.11699	2.6
173.02332	1.8
173.13261	3.5
175.11292	1.3
184.13268	2.7
185.13339	1.6
187.03947	1.8
187.14828	1.8
189.11169	1.5
189.12807	1.2
193.12315	1.5
196.13336	5.0
198.14911	1.4
205.15941	1.7
210.14900	10.7
213.05524	1.3
214.14362	3.5
216.98082	1.6
224.16319	1.4
228.15918	14.0
229.19534	1.3
236.16373	1.4
238.18210	1.4
248.20074	1.4
257.19022	2.2
266.21194	5.8
267.13770	3.3
275.04214	1.1
275.20059	9.0
277.21524	1.8
280.22641	1.5
293.20972	2.2
294.24023	5.9
300.23294	1.4
311.12491	1.6
318.20825	2.1
318.24219	10.5
328.09692	3.7
336.25305	94.6
337.26126	5.6
340.09671	10.4
354.01398	3.1
354.11145	5.4
354.14359	4.1
354.26456	33.0
355.11243	1.8
355.15088	1.8
355.22534	1.7
355.26468	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	354.1909
Annotation	Platyphylline N-oxide
Peak:m/z	Relative Intensity
57.05814	1.4
67.05508	3.5
69.07065	10.6
70.25542	6.2
72.08163	3.1
73.47395	1.3
79.05497	5.1
81.03413	2.9
81.07063	2.2
83.04967	5.6
84.08151	2.4
86.09707	100.0
91.05442	9.3
93.07034	7.0
95.04954	5.1
105.07030	4.9
107.04946	4.8
107.08609	3.6
109.02843	1.6
115.05448	1.8
116.97184	1.6
117.07014	21.4
119.08611	4.4
121.06469	2.2
123.04408	7.3
128.10712	3.6
131.08572	12.0
132.10219	5.3
133.06474	4.0
133.10129	3.9
135.08040	16.9
135.11658	1.9
145.06503	3.1
149.09644	3.4
159.08052	10.5
161.09602	2.3
163.07536	10.5
177.09129	8.1
181.08598	7.1
187.05849	1.8
187.07645	4.8
188.05377	1.3
203.04117	1.4
205.08592	30.8
205.10339	2.6
211.11566	1.3
242.89754	1.6
244.17058	2.0
248.16510	2.7
262.18042	6.7
272.16272	2.0
277.97305	1.5
290.17514	45.0
308.18530	31.0
336.17996	2.8
341.90030	1.3
376.80640	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89470	1.2
53.03927	4.6
53.12747	1.1
55.01867	6.5
55.05485	1.5
56.96513	1.2
57.03428	5.8
61.02913	5.1
67.05496	1.8
68.99777	2.6
69.03423	37.5
69.07053	1.4
69.28093	2.9
69.28498	12.8
70.06577	3.0
71.04969	4.1
73.02911	6.4
81.03414	23.4
84.08101	2.2
85.02897	100.0
86.09672	1.4
87.00821	51.1
87.04481	2.3
91.03917	1.5
91.05457	1.3
93.07035	1.5
95.48251	1.2
97.02883	33.0
99.04451	12.3
105.01855	78.9
107.04935	4.4
108.04466	2.8
109.02864	27.5
117.01852	2.8
121.06456	2.4
126.06613	4.0
127.03903	75.4
129.01857	3.2
137.06038	1.8
145.04950	29.9
147.02898	2.8
159.02872	12.8
171.03004	1.7
189.03926	3.0
194.45963	1.3
213.03979	3.0
223.76337	1.3
231.04985	19.1
249.06017	4.7
354.19925	2.8
354.23755	1.9
355.17282	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1909
Annotation	Platyphylline N-oxide
Peak:m/z	Relative Intensity
53.03938	0.8
54.67229	0.4
55.01853	1.2
55.05502	0.7
55.79081	0.3
56.96561	0.5
57.03429	3.2
61.02913	1.5
69.03429	3.7
69.07057	0.6
69.54511	2.1
69.54919	0.6
70.06596	2.0
71.01346	1.6
71.05003	0.7
72.08152	1.3
72.22427	0.4
73.02914	3.2
75.04463	0.4
79.05475	0.5
80.05015	0.4
81.03418	1.2
81.07058	0.8
82.06594	0.5
82.08721	0.4
83.08595	0.4
84.04469	0.6
84.08127	0.6
85.02905	4.5
86.09710	1.8
87.00804	0.7
87.04449	0.9
91.05464	5.4
92.05812	0.7
93.07033	1.7
95.04941	1.3
95.06084	0.8
95.08601	0.5
97.02885	2.9
97.06567	0.5
97.07632	0.5
98.06048	0.5
98.20720	0.6
98.97569	0.6
99.04436	0.4
103.05437	0.6
105.01871	1.4
105.07024	0.8
106.06549	0.5
107.04957	8.1
107.08604	0.7
108.08121	0.8
109.02856	1.1
109.07640	3.5
110.07174	0.5
115.03928	1.7
116.98650	0.4
117.07009	0.4
118.06540	7.5
120.08096	0.9
121.06505	4.7
121.10134	0.5
125.02312	0.8
126.06631	2.9
127.03891	1.1
132.08096	3.8
133.04967	1.3
133.08862	1.6
133.09879	0.4
134.09674	0.8
136.07588	0.7
145.04997	0.4
146.09639	2.9
147.04398	0.7
156.31459	0.4
159.02895	0.5
160.07565	0.5
160.11261	2.1
161.13239	0.5
162.03056	0.5
163.07510	0.6
170.80331	0.4
172.03944	0.9
175.13557	0.8
176.14340	45.7
177.14772	0.6
189.15091	2.4
190.15820	0.4
201.05438	0.5
204.06581	1.5
204.14967	5.9
218.15379	25.7
237.02785	0.6
244.16942	0.8
248.13881	0.8
248.16451	15.0
252.07666	0.4
262.17990	0.5
268.19183	0.5
271.41064	0.4
278.17493	10.6
308.18616	4.4
310.19104	0.5
327.07489	1.2
336.18127	0.8
336.21722	0.8
354.19098	100.0
355.15430	0.6
355.19449	2.9
369.08633	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94714	4.8
54.46194	5.0
55.01873	9.4
55.05500	22.0
57.07059	19.8
67.05498	68.7
69.07056	29.2
69.46307	35.8
69.46717	10.5
71.08623	7.8
79.05486	18.3
81.07056	100.0
83.05000	8.6
83.08609	25.7
91.05444	5.6
93.07023	16.5
95.08598	79.6
97.10162	16.0
98.20797	11.8
104.37061	6.5
107.08556	6.5
109.10163	38.7
123.11694	17.7
135.11673	8.1
137.13239	9.4
149.13240	7.1
157.76270	5.7
186.15923	5.4
262.16708	6.7
335.29373	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47892	0.4
53.03939	0.7
57.03436	0.7
60.04527	4.0
67.05493	0.7
68.05044	0.5
68.99768	0.9
69.03418	2.1
70.06593	3.1
71.04980	1.3
71.59934	0.7
72.04527	0.8
72.08138	1.4
73.02900	0.7
79.05489	1.6
81.03402	1.7
84.04490	1.3
84.08138	3.8
85.02897	6.1
86.06052	2.6
86.09706	0.8
91.05437	1.1
93.07018	0.8
93.74084	0.5
95.04957	3.8
95.06092	1.6
96.04485	1.0
97.02884	1.2
98.06038	0.5
98.97606	0.7
99.04430	1.0
103.05463	0.5
105.04526	0.8
107.04946	100.0
108.05291	1.5
110.07142	0.7
111.04418	2.0
112.03954	0.6
112.08684	0.9
114.05541	4.0
115.06298	0.5
116.07075	0.7
116.98528	0.6
118.06479	0.6
119.04887	0.6
120.08110	0.8
121.06486	3.2
122.75892	0.5
123.04410	10.3
127.03876	1.2
129.10237	0.6
130.05005	0.7
132.05597	1.0
132.06557	14.0
134.03616	1.7
134.06015	0.5
135.04408	0.8
136.06099	0.6
137.05980	1.0
141.05479	1.7
145.04962	0.8
147.04401	1.0
150.79623	0.5
160.05057	7.9
163.03896	1.1
164.06995	0.5
168.10272	0.7
175.03925	0.5
178.96521	0.5
190.53537	0.5
192.07700	19.1
192.10170	4.7
193.04970	1.4
193.07973	0.6
201.05571	1.1
207.06540	0.9
210.07549	1.0
230.10297	0.9
248.11275	43.8
249.11617	0.5
256.99756	0.5
272.11044	0.6
346.76236	0.5
354.16043	2.1
354.20593	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03930	2.6
55.05517	19.0
57.03439	6.6
57.07072	5.8
65.03931	5.2
67.05503	95.7
69.07073	12.8
71.08640	2.6
71.59366	2.3
71.59768	2.8
79.05016	2.0
79.05494	55.6
81.07056	100.0
83.04982	4.7
83.08620	11.3
85.06562	3.3
85.10175	2.5
91.05482	26.0
93.07043	77.1
95.04969	6.6
95.08604	77.6
97.06515	3.7
97.10179	2.7
99.08109	4.7
105.07037	24.0
107.08594	42.1
109.06531	6.7
109.10143	31.9
111.08089	3.0
113.09648	2.5
117.07002	10.4
119.08593	13.2
121.06432	2.3
121.10149	34.2
123.08054	12.1
123.11694	9.4
125.09654	2.7
127.07522	2.3
131.08560	25.4
133.10121	13.3
135.07991	1.9
135.11685	22.4
137.09605	3.0
137.13237	7.2
143.08582	2.8
145.10135	17.1
147.11697	12.9
149.09621	2.7
149.13255	18.0
151.11176	2.3
151.14854	2.1
153.12881	2.4
159.11687	13.7
161.13310	7.2
163.11176	3.0
163.14861	16.4
173.13264	16.0
175.14807	3.1
177.12842	2.7
177.16418	7.0
187.14873	7.7
191.14224	2.5
197.39182	2.0
201.16362	3.1
205.15895	3.1
217.19594	2.2
233.22670	6.9
243.21104	31.4
261.22137	68.3
279.19644	7.0
279.23029	2.7
323.16797	2.0
335.25778	5.9
353.03305	2.0
353.18185	3.2
353.22986	42.0
353.26819	5.1
378.12305	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.5
55.05511	12.8
57.03435	6.4
57.07066	5.5
67.05511	100.0
69.07073	11.0
71.01437	4.4
71.05003	3.2
72.46297	1.9
79.05502	40.5
81.07063	96.6
83.04973	2.1
83.08616	6.7
85.06553	2.3
91.05482	22.0
93.07053	55.0
95.04985	5.4
95.08614	69.4
97.10193	3.7
99.08102	2.5
105.07037	18.2
105.48897	2.1
107.08596	34.9
109.10162	37.9
111.08068	2.5
117.07018	7.7
119.08608	17.4
121.10150	28.0
123.11715	20.5
131.08571	20.8
133.10133	13.9
135.11696	19.5
137.13274	8.6
145.10136	14.8
147.11679	9.2
149.09657	2.4
149.13274	20.6
151.11168	2.2
151.14793	3.0
159.11688	16.7
161.13281	7.0
163.14822	11.8
173.13266	13.5
175.14876	3.2
177.16422	6.6
179.14415	2.8
187.14790	10.0
191.14136	2.2
193.54697	2.0
196.68301	2.1
201.16441	2.8
233.22745	3.0
243.21112	17.5
261.22168	82.1
279.23178	4.1
335.25906	7.5
353.26904	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	14.3
57.03435	9.4
57.07066	8.6
67.05505	86.1
69.07058	18.1
70.44030	13.0
71.08645	6.2
79.05495	52.5
81.07059	100.0
83.08627	13.2
85.06544	10.9
85.10169	6.1
88.25894	4.4
91.05469	26.6
93.07045	74.7
93.71069	4.2
95.04949	7.9
95.08610	65.1
97.06539	6.2
99.08083	7.8
103.03897	7.3
105.07033	25.2
107.08601	45.9
109.10164	29.9
113.09667	8.8
116.73969	4.5
117.07019	10.8
119.08586	12.2
121.10159	36.6
123.11729	10.7
131.08549	22.3
133.10158	21.4
135.11691	27.1
145.10106	20.5
147.11653	8.1
149.09543	5.8
149.13271	23.3
151.14767	6.4
159.11720	15.4
161.13356	9.5
163.11162	7.0
163.14816	31.0
173.13284	24.9
175.14856	6.0
177.12631	6.8
177.16425	19.1
187.14827	11.8
233.22704	19.9
243.21062	53.7
261.22165	87.9
261.87122	4.6
302.19202	5.4
335.25858	6.5
353.26926	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
52.57236	2.3
53.03947	4.0
55.05512	14.9
55.82719	2.1
57.03424	7.6
57.07067	4.9
62.70070	2.5
64.11816	2.3
65.03929	4.1
67.05503	95.5
69.07072	14.7
79.05491	43.0
81.07057	100.0
83.08598	6.2
85.06538	4.2
91.05477	17.9
93.07037	51.6
95.08601	70.1
97.10112	3.8
99.08072	2.9
105.07025	12.3
107.08598	35.7
109.06529	2.8
109.10162	32.9
112.63976	2.5
113.99383	2.4
114.96939	2.7
117.07018	6.8
119.08575	16.0
121.10149	27.8
123.11698	20.7
131.08543	21.4
133.10130	11.3
135.11717	20.6
135.51689	2.3
137.13239	8.3
145.10158	15.0
147.11678	12.1
149.13248	20.7
151.14873	2.8
159.11678	12.9
161.13245	10.9
163.14809	11.3
173.13283	14.6
187.14789	8.1
233.22617	3.9
243.21054	16.8
261.22119	82.9
279.23181	6.7
335.25806	10.2
337.68781	2.8
353.27011	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61498	0.5
50.83554	0.6
53.03948	2.4
55.05510	14.9
57.03436	6.4
57.07077	4.2
57.18719	0.6
57.60664	0.6
65.03934	3.2
67.05503	99.2
68.05843	1.3
69.07065	14.3
70.09839	2.0
71.04996	2.0
71.08647	2.8
75.04469	2.1
79.05492	42.3
80.05845	1.0
81.07055	100.0
82.07383	1.3
83.04987	0.9
83.08620	7.1
83.97523	0.5
85.06551	2.0
85.10151	0.7
91.05481	20.3
92.05753	0.8
93.07040	53.9
94.07390	1.1
95.04950	3.4
95.08604	70.9
96.08972	1.0
97.06525	2.3
97.10142	3.0
99.08099	1.6
103.05470	0.6
105.04555	0.7
105.07031	17.4
106.07350	0.8
107.08590	34.7
109.06519	2.4
109.10155	37.7
111.08054	1.4
111.11777	1.1
113.09683	1.0
117.07011	8.9
119.08576	13.7
121.10141	29.0
122.10477	0.8
123.08079	1.7
123.11706	20.2
124.12074	0.6
125.09623	1.0
129.07011	1.3
131.08569	20.8
133.10124	11.7
135.08130	0.6
135.11687	23.6
135.12718	1.3
136.11984	0.7
137.09631	1.9
137.13248	6.7
139.11195	1.4
145.09036	1.1
145.10118	14.2
147.11702	10.2
149.09700	0.9
149.13251	17.5
151.11198	1.2
151.14819	2.2
153.12704	1.2
159.11688	13.5
159.49477	0.6
161.13269	7.7
163.11221	1.3
163.14821	11.0
165.12718	1.0
170.53931	0.6
173.13255	13.1
175.14830	2.7
177.12775	1.3
177.16391	4.1
179.14238	0.6
184.61603	0.6
187.14832	8.0
191.14275	1.4
191.31198	0.6
201.16335	3.0
205.15930	1.0
215.17949	0.8
219.17383	0.7
233.22635	2.9
243.21089	16.7
259.08398	0.6
261.22134	77.0
262.22440	2.4
279.23227	5.4
317.24863	1.0
335.25821	6.9
353.26822	15.6
354.27094	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.43869	2.8
53.11393	2.5
54.16100	2.4
55.05511	13.4
55.05729	2.6
57.03430	6.7
57.07071	4.1
57.80625	2.5
65.03938	4.2
67.05503	91.1
69.07053	11.6
71.04935	2.8
71.43714	4.0
79.05066	4.3
79.05486	40.9
81.06580	5.6
81.07055	100.0
83.08615	10.2
91.05473	19.9
93.07038	47.8
95.04982	3.9
95.08606	80.9
97.06521	4.5
97.10149	4.7
99.08070	3.7
105.07047	16.1
107.08601	30.5
109.10144	34.8
110.19276	2.9
117.07005	8.8
119.08596	13.9
121.10146	32.3
123.08093	2.8
123.11696	20.0
131.08562	17.9
133.10136	14.1
135.11687	21.9
137.13232	9.4
143.39636	2.6
145.10107	11.9
147.11716	7.5
149.13300	17.1
159.11688	14.1
159.27782	2.7
161.13268	8.9
162.38979	3.0
163.14853	14.5
173.13271	15.9
175.14832	4.1
177.16382	4.6
187.14774	7.9
201.16252	5.9
243.21097	11.1
261.22137	80.4
279.23111	7.3
335.25732	6.5
353.27151	14.5
357.37717	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	353.268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
53.89193	1.3
55.01867	1.5
55.05502	13.0
57.03428	4.8
57.07067	5.3
65.03927	3.3
67.05495	92.5
69.07062	14.9
70.22266	3.9
71.04977	4.5
75.04486	1.6
75.85056	1.1
79.05482	46.6
81.07047	91.9
83.04976	1.4
83.08617	8.2
85.06529	2.0
90.47736	1.1
91.05470	24.0
93.07031	58.5
95.04968	3.4
95.08595	69.6
97.06523	4.4
97.10181	2.7
98.21386	1.4
99.08076	1.8
105.07020	19.3
107.08579	41.5
109.10143	39.9
109.10906	1.5
111.08093	1.3
113.09651	2.7
117.06989	10.2
119.08569	15.7
121.10126	38.5
123.11700	22.4
125.09595	1.8
129.06993	1.6
131.08554	22.8
131.09509	1.7
133.10104	13.8
133.10963	1.6
134.88200	1.2
135.11668	28.7
137.09669	2.0
137.13246	7.7
145.10106	16.2
147.11699	11.6
149.13235	20.9
151.11292	1.8
151.14816	4.5
153.12755	1.8
159.11662	15.8
161.13237	11.2
163.14777	11.7
165.12817	1.4
173.13211	17.0
175.14845	4.1
177.16435	4.3
179.14313	1.5
187.14789	12.5
191.14270	1.3
201.16391	2.6
205.16060	1.2
215.18060	1.3
218.49930	1.1
233.22621	5.2
243.21062	24.8
261.22110	100.0
262.22537	1.8
266.76883	1.1
279.23059	3.8
335.25830	5.2
353.26813	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03933	2.9
55.01850	1.4
55.05508	14.6
57.03438	5.5
57.07071	16.1
65.03916	2.3
67.05498	95.5
69.07066	14.6
69.07413	1.9
69.31391	5.7
69.31825	3.7
71.04971	4.1
71.08628	1.4
75.04453	1.4
79.05486	40.8
81.07050	100.0
83.04972	2.1
83.08613	7.3
84.18803	1.0
85.06523	3.7
91.05471	24.3
93.07033	57.1
95.04951	4.2
95.08595	73.0
97.06512	2.8
97.10162	3.4
99.08066	2.6
105.06302	1.1
105.07018	18.7
107.08586	32.1
108.51036	0.9
109.06470	1.9
109.10148	38.3
111.11717	1.1
113.09667	1.0
117.06987	7.2
119.08576	14.2
119.40967	0.9
119.48279	0.8
121.09309	1.6
121.10136	27.6
123.07992	1.2
123.11696	18.5
125.09566	1.4
129.07016	1.4
131.08548	20.6
133.10135	11.4
135.11674	23.9
137.09634	1.1
137.13254	7.7
139.11134	1.1
145.10114	14.3
147.11674	9.8
149.13248	19.5
151.11180	1.4
151.14793	2.0
153.12755	1.3
159.11682	12.2
161.13240	9.1
163.14803	9.9
165.12787	1.4
165.16565	1.0
173.13260	15.6
175.14778	2.2
177.16406	4.9
177.72729	0.9
179.14217	1.7
187.14833	8.6
201.16371	1.1
205.15771	1.8
215.17964	1.2
217.19609	1.1
233.22629	3.0
243.21078	17.8
261.22116	75.8
279.23080	6.1
317.24884	1.2
335.25800	10.3
353.26791	16.8
355.88690	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.1
55.01859	1.6
55.05510	16.0
57.03429	7.0
57.07071	17.5
58.07401	1.3
65.03928	3.6
67.05499	100.0
68.05845	1.5
69.07063	48.4
70.04073	1.8
70.04874	4.7
70.07391	5.7
70.07809	1.8
71.04976	2.6
71.08631	2.6
73.83673	1.1
75.04470	1.5
77.03900	1.1
77.17527	1.2
79.05487	45.8
79.23658	1.0
81.07049	98.6
82.07395	1.2
83.08619	7.4
85.06550	2.0
85.10134	1.0
91.05470	24.5
93.07037	55.8
95.04960	4.2
95.08597	79.8
96.08919	1.6
97.06526	3.6
97.10159	4.2
99.08099	2.3
103.85958	1.2
105.07015	20.4
105.07674	1.7
106.07236	1.1
107.08588	38.5
107.09285	2.3
109.06506	1.9
109.10146	39.0
110.07153	2.2
110.10551	1.4
111.08106	1.4
111.11749	1.1
113.09654	1.6
115.07553	5.7
117.07009	8.1
119.08573	15.4
119.82159	1.0
121.10129	29.8
123.08043	2.6
123.11703	22.9
125.09641	1.6
126.03004	3.5
129.01062	1.9
129.07005	1.3
130.01395	1.8
130.07733	1.3
131.00758	2.8
131.08554	21.6
133.10120	12.7
135.08047	2.0
135.11676	27.5
137.09695	1.7
137.13255	9.1
139.11198	1.3
141.01019	3.5
142.01350	1.9
143.00697	2.6
143.08546	1.6
145.10109	14.9
147.11678	10.3
149.09561	1.7
149.13242	19.3
151.11159	1.5
151.14783	2.2
153.12779	1.7
155.02460	1.4
157.10123	1.3
159.11667	14.6
161.13237	8.5
163.11217	1.8
163.14780	9.7
163.72374	1.1
173.13264	14.8
175.14818	4.0
177.12645	1.2
177.16362	5.0
179.14346	2.0
187.14767	9.3
191.14503	1.3
197.07333	5.4
198.07544	8.4
199.06961	12.2
201.16414	2.7
205.15814	1.5
223.16905	1.4
224.10252	1.3
233.22652	3.7
243.21068	23.4
251.48854	1.0
261.22113	91.7
262.22574	2.1
269.18594	1.0
269.24359	1.1
279.23050	5.4
317.24854	1.4
335.25830	11.0
339.70370	1.2
353.10852	5.1
353.26978	21.1
354.10394	6.4
358.04529	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.2
53.53596	2.8
55.05498	15.0
57.03427	5.7
57.07081	4.9
67.05500	92.8
69.07050	15.3
71.04968	3.9
79.05051	5.4
79.05489	53.4
81.06591	5.3
81.07053	100.0
83.08590	9.9
91.05489	27.9
93.07034	55.3
95.04923	4.5
95.08598	76.1
97.10150	5.5
99.08054	4.2
105.04516	3.8
105.07023	19.2
107.08572	36.3
109.10144	35.0
117.07027	13.0
119.08582	16.2
121.10144	39.3
123.11697	25.0
131.08559	27.6
133.10127	13.3
135.11681	34.7
137.13333	4.5
145.10112	15.8
147.11668	11.6
149.13257	22.3
151.11139	4.0
151.14786	4.6
159.11687	14.6
161.13219	10.2
163.14809	11.3
173.13251	19.0
175.14781	4.6
177.16434	5.8
187.14835	8.0
190.64301	4.0
207.37364	3.4
243.21103	18.8
261.22137	87.6
279.23264	4.1
311.00613	3.5
329.69397	4.3
335.25754	6.3
353.26932	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	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.9
53.79211	3.8
55.05512	21.5
57.03436	4.6
57.07065	10.8
67.05503	100.0
68.07375	3.4
69.07068	12.1
71.04339	6.6
71.08628	4.3
79.05495	70.5
80.10654	3.3
81.07051	94.6
82.21545	3.6
83.04990	3.7
83.08607	10.7
91.05483	33.5
93.07038	77.9
95.04937	4.4
95.08608	81.8
97.06512	3.7
99.08102	5.0
105.07043	24.9
107.08617	36.0
109.10168	29.1
117.07008	11.5
119.08593	13.1
121.10149	35.3
123.11698	11.1
131.08559	27.2
133.10136	13.7
135.11685	29.0
137.13283	5.7
145.10118	19.2
147.11674	13.8
149.13234	21.7
151.14822	7.7
159.11676	11.3
161.13278	15.1
163.14803	17.0
173.13229	13.9
177.16388	9.7
187.14851	10.5
201.16437	4.7
233.22749	4.1
243.21107	33.4
261.22128	80.5
353.26660	7.2
378.44415	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	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03939	3.6
53.91772	2.5
55.05515	13.8
57.03437	3.2
57.07069	5.6
65.03941	5.4
67.05505	86.1
69.07068	17.6
69.38029	9.3
69.38458	14.5
71.05006	3.6
71.08636	3.0
76.28992	2.3
79.05492	44.5
81.07057	100.0
83.08591	5.7
91.05478	21.9
93.07039	64.6
95.04974	4.4
95.08607	74.8
95.31855	3.1
97.06517	3.4
105.07031	17.8
107.08591	40.9
109.10152	42.6
117.07028	8.4
119.08587	18.6
121.10146	30.7
123.11694	19.7
131.08585	28.2
133.10161	17.4
135.11673	29.9
135.12392	2.5
137.13248	9.5
137.26857	3.1
145.10153	18.2
147.11671	8.7
149.13242	25.3
159.11664	12.3
161.13251	10.0
163.14824	10.1
173.13306	14.9
175.14844	4.5
177.16339	3.4
187.14835	10.2
201.16362	5.3
237.54028	2.9
243.21143	17.4
261.22141	96.5
279.23325	3.7
335.25696	5.0
353.26852	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.268
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03935	3.4
55.05511	15.8
57.03425	4.9
57.07069	21.0
58.07417	2.0
61.43836	1.6
65.03932	3.8
67.05499	89.4
69.06721	3.0
69.07065	50.1
69.72565	13.0
70.07388	9.0
70.07825	3.5
71.04980	2.0
71.08604	7.3
79.05051	3.3
79.05486	48.9
81.07052	100.0
82.11113	1.8
83.08604	7.3
85.06538	4.2
91.05479	24.6
93.06464	4.0
93.07039	64.3
95.04946	4.2
95.08599	67.6
96.08876	1.9
97.06525	3.0
97.10155	3.5
99.08083	5.9
105.07010	18.7
107.08586	39.2
109.06525	4.5
109.10148	27.3
111.08061	2.5
112.68923	1.9
113.09622	2.0
115.07555	9.6
116.07844	2.5
117.07050	8.6
119.08551	12.8
121.09302	3.0
121.10140	33.2
123.08076	2.0
123.11674	12.2
125.09600	2.5
128.99132	2.9
129.01016	2.3
131.00769	2.7
131.08575	17.5
133.10130	12.3
135.11690	27.0
137.13226	7.7
141.01028	3.5
142.01378	2.6
143.00673	2.9
145.10095	16.3
147.11670	12.1
149.01163	1.7
149.13229	20.5
151.14748	4.7
151.86053	1.8
157.02112	2.1
159.11662	13.7
161.13255	11.3
161.14389	2.2
163.03877	2.6
163.14790	16.2
168.03944	2.1
168.58994	1.9
173.13214	18.9
175.14775	4.4
177.16415	5.7
187.14815	8.2
191.14264	2.4
197.07242	7.2
198.07668	9.7
199.06955	17.1
201.16232	2.2
210.98561	1.9
217.19473	1.9
226.07054	3.2
227.06444	2.1
233.22571	6.4
236.16406	2.1
237.16777	3.1
243.21082	29.2
261.19370	4.1
261.22122	74.4
272.20013	1.8
279.23077	3.1
294.21274	1.9
326.93256	2.2
335.25470	7.7
353.17230	9.9
353.25583	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	353.2684
Annotation	Grandilobatin A
Peak:m/z	Relative Intensity
53.28756	1.7
55.05503	15.2
57.03427	2.1
57.07061	7.3
67.05501	23.9
69.03414	3.3
69.06719	2.4
69.07062	28.3
69.53868	3.3
69.54262	14.6
71.04984	3.9
71.08630	24.0
71.52267	1.7
76.79061	1.8
79.05485	12.7
81.07054	42.3
83.04998	2.2
83.08622	10.0
85.06525	4.5
91.05472	11.1
93.07034	21.1
95.04971	9.4
95.08598	30.7
97.06516	6.3
97.10139	3.8
99.08076	18.2
105.07017	17.0
107.04900	2.3
107.08572	11.7
109.06519	29.2
109.10150	11.8
111.08083	2.6
117.07054	2.8
119.08572	19.0
121.06537	9.5
121.10139	8.5
123.08053	3.6
123.11679	4.1
125.09638	2.4
131.08559	6.3
133.10129	12.5
135.08051	8.3
135.11678	8.0
137.09579	1.9
137.13248	2.6
139.11148	5.8
141.09171	2.1
141.12755	2.0
145.10106	5.2
147.11641	4.9
149.09598	3.4
149.13283	3.1
159.11661	2.8
161.13217	4.6
163.11136	4.9
165.12741	54.8
165.14116	3.1
175.14780	4.2
177.12779	6.9
201.16499	2.2
209.18980	13.5
210.25761	2.2
219.17323	2.8
237.18581	2.6
279.19504	3.6
279.26859	2.1
289.25211	25.1
295.69327	1.9
299.23633	3.2
307.26318	4.0
317.24744	80.8
335.25772	100.0
336.26047	2.8
349.33130	1.9
366.38229	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
55.01893	2.0
55.05506	17.2
57.03420	4.8
57.07066	11.0
58.12416	1.8
65.03938	2.0
66.61028	2.0
67.05503	87.0
68.05818	2.0
69.07062	19.0
70.09446	10.3
71.04989	3.4
71.08638	3.5
79.05489	63.2
81.07052	100.0
82.07402	2.5
83.04974	1.9
83.08592	9.9
83.39469	2.0
85.02901	2.6
85.06536	5.0
85.10166	2.9
91.05478	31.0
92.05770	2.4
93.07043	69.0
94.07409	2.7
95.04946	7.6
95.08598	68.6
97.10150	6.0
99.08089	4.5
99.51359	1.9
103.71062	2.0
105.07022	26.1
107.08582	48.8
109.06493	3.7
109.10146	31.7
111.08087	3.7
113.09656	3.4
117.07014	11.7
119.08567	21.5
120.08918	4.1
121.10145	31.7
123.08051	2.7
123.11714	12.8
123.12452	2.1
125.09628	2.7
129.06966	3.7
131.08565	25.7
133.02849	2.6
133.10159	13.5
135.08034	2.5
135.11710	28.2
137.13258	6.0
142.07855	3.6
143.08575	2.6
145.10114	23.5
147.11700	15.2
149.09622	2.4
149.13258	22.2
151.14803	4.2
156.09261	2.1
157.10141	6.4
158.10890	2.4
159.11690	17.3
161.09558	2.2
161.13257	11.3
163.11107	2.8
163.14798	18.6
165.94189	3.0
171.11674	3.4
173.13239	16.8
175.14806	4.8
177.12717	2.4
177.16402	7.8
184.27542	1.9
187.14832	10.3
191.14348	2.2
197.13232	4.3
201.16348	4.7
205.15979	2.6
215.14333	4.5
225.16553	2.4
233.22678	7.4
241.28200	2.2
243.21075	31.9
246.12611	2.5
261.22116	74.4
262.86191	2.1
276.20560	3.0
279.22641	2.4
293.23029	5.7
295.20526	2.1
335.25888	4.7
353.19073	4.7
353.24982	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	353.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.9
67.05484	2.7
69.07075	1.0
69.42319	5.0
69.42728	1.7
70.06577	0.6
77.00912	0.9
79.05476	2.1
81.07053	1.8
82.07390	0.7
93.07043	3.0
94.07387	0.8
95.08613	1.6
99.86600	0.8
105.07009	1.4
107.08593	1.4
119.08559	1.2
145.10086	0.8
147.11697	1.0
243.14478	1.9
253.12894	1.0
261.21255	1.6
283.96347	0.8
335.20834	0.9
353.22946	100.0
354.23157	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	353.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70721	2.2
53.03922	3.8
55.05510	20.7
56.96564	2.2
57.03432	3.2
57.07079	4.4
60.95826	3.0
65.03925	3.1
65.65341	2.4
67.05501	90.5
67.17299	2.2
68.05817	3.5
69.07064	20.2
70.07356	2.6
70.85577	7.3
71.04972	7.7
71.08620	4.2
79.05489	53.3
80.05017	3.7
80.05827	3.6
81.07051	100.0
82.07375	3.7
83.08607	11.6
85.06515	5.9
88.06327	2.1
91.05482	32.2
93.07037	72.7
95.04964	13.5
95.08602	75.5
97.06510	6.8
97.10130	6.4
99.08072	5.9
105.07023	34.8
107.08588	52.0
109.06482	4.4
109.10146	31.2
113.09633	2.8
117.07015	12.6
119.08568	23.2
120.08850	2.5
121.10139	35.9
123.08043	4.3
123.11699	15.0
125.09604	3.1
127.69421	2.1
131.08549	30.7
133.10130	22.6
135.08046	5.5
135.11681	29.6
137.13240	8.1
142.07773	5.2
143.08566	7.2
145.10088	23.0
147.11667	16.0
149.09628	5.4
149.13261	17.7
152.70183	2.2
153.33731	2.2
155.08557	2.8
157.10112	16.1
159.08067	3.3
159.11661	18.9
161.09595	8.8
161.13257	11.6
163.14818	14.8
169.10103	3.8
170.82866	2.5
171.11737	5.0
173.09549	3.7
173.13248	21.6
175.11174	2.7
175.14838	3.8
177.12810	3.3
177.16364	8.3
183.11690	2.8
185.13281	4.1
187.14795	13.9
189.16231	2.2
195.11737	3.3
197.13208	5.0
201.16466	3.2
205.15875	2.8
209.13295	3.3
213.12820	3.6
215.14299	7.3
223.15239	3.2
223.97916	2.4
233.19055	3.0
233.22632	8.4
243.09367	2.3
243.21071	29.1
249.99408	2.9
257.10733	2.3
261.22113	71.5
262.22437	3.0
274.24893	2.3
275.22202	3.2
276.20398	9.5
284.50244	2.6
293.23032	17.7
295.20453	3.7
296.83600	3.1
335.24124	3.9
335.26379	4.2
353.16080	7.2
353.24826	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	353.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89524	0.8
60.77452	0.9
69.86647	2.0
69.87059	3.3
71.51144	0.8
73.82021	0.8
113.96703	0.8
123.55243	0.9
143.38867	1.0
152.43723	1.0
187.48300	0.8
189.61674	1.0
208.51108	1.0
215.11407	1.3
253.12840	1.0
335.20871	1.6
353.22989	100.0
354.23288	5.2
371.22742	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	353.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.9
56.96554	0.7
58.99863	0.5
60.04539	0.6
67.05505	2.2
69.07053	1.5
77.00903	1.5
79.05493	1.6
80.05026	1.1
81.03437	0.4
81.07027	1.5
81.91096	0.4
82.97425	0.4
83.04981	0.7
83.08575	0.7
84.08124	0.5
91.05480	5.8
92.05806	1.0
93.07032	1.5
93.47774	0.4
94.07379	0.5
95.01939	1.1
95.04955	0.4
95.08601	1.2
97.02911	0.4
97.10174	0.5
98.20692	0.9
99.08099	0.5
100.90667	0.5
105.07024	1.3
107.05019	0.8
107.08587	1.1
110.07126	0.9
119.08575	0.8
125.01523	1.3
125.09679	0.5
127.01296	0.4
131.08510	0.6
131.35913	0.4
133.10065	0.9
145.10181	0.5
149.18901	0.5
158.97598	1.2
160.97302	2.0
201.09718	0.6
213.09711	0.9
215.11327	1.9
231.10802	1.1
233.12416	0.7
243.14458	1.7
253.12881	2.0
271.13889	2.6
276.20432	1.0
293.23117	2.2
317.19659	0.7
335.20645	4.1
353.22934	100.0
354.01367	1.9
354.23190	3.3
371.22864	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
56.05030	0.7
56.96556	2.4
57.03424	0.7
59.04991	0.3
59.76176	0.3
60.04521	0.6
69.03416	1.6
69.07057	0.6
69.42957	0.9
69.43374	2.4
70.06593	2.9
72.08159	1.1
74.02435	0.8
74.06097	0.6
75.67357	0.4
76.04026	0.4
79.05472	0.4
81.03408	1.6
84.04498	1.1
84.08140	4.5
85.02908	2.2
86.09690	1.2
87.05589	4.6
88.04008	0.4
90.94820	0.6
91.05480	10.2
92.04989	0.8
94.06559	1.6
95.04974	0.5
97.02905	2.9
98.97559	0.8
99.00808	0.6
100.99130	0.9
104.05008	0.7
107.04955	1.6
109.02905	0.5
109.06511	0.6
110.07155	2.2
110.97576	0.7
115.03949	1.3
115.05033	2.2
116.98592	0.7
118.06528	1.6
119.00203	0.7
119.04944	9.3
120.04475	6.3
120.08116	0.6
121.06508	1.3
127.03913	1.0
128.04929	0.4
128.07106	0.5
128.98604	1.5
129.10226	2.0
130.02919	0.5
130.06525	2.5
130.08693	0.4
132.04448	0.9
132.08112	0.8
132.95819	0.9
134.05992	0.5
134.99702	0.5
136.07579	100.0
137.07939	1.4
144.07993	0.4
144.95959	0.4
144.98143	0.9
146.06006	7.1
146.99661	1.8
148.07570	1.1
150.05580	0.5
156.04407	1.0
156.08109	0.8
158.06041	2.9
158.07225	0.5
160.07571	1.3
162.05481	1.1
162.96947	0.4
162.99182	0.9
165.00732	1.1
165.05461	0.5
168.08093	1.0
170.06026	1.1
172.97525	0.4
174.05504	1.0
176.07088	0.8
178.29327	0.3
180.06662	0.6
180.08142	0.7
182.08148	0.6
183.01735	0.7
183.06770	0.7
184.07608	3.8
185.08284	1.1
186.05537	1.1
186.09195	0.8
186.96892	0.8
188.07210	0.5
189.00717	0.4
190.05019	1.6
190.98622	2.2
192.06520	1.4
193.09726	3.4
196.07607	2.7
198.05486	0.9
198.09175	1.5
202.08638	1.3
204.06660	0.6
207.06911	0.6
208.07573	1.9
208.99706	3.6
212.07098	0.8
214.08681	1.7
214.96535	0.5
214.98560	0.7
221.09241	1.6
222.05644	0.5
222.07678	1.6
224.07115	0.8
226.08629	1.7
227.00603	0.5
232.97552	0.7
232.99615	4.2
234.99168	0.5
236.07101	1.7
238.08759	0.7
239.10283	8.4
240.06627	0.9
240.13437	0.4
244.09691	2.3
244.97423	0.5
251.00699	2.6
252.06593	0.5
254.08136	1.2
258.07712	0.7
262.10931	1.1
263.00873	0.4
264.06616	1.0
270.07648	3.0
272.09402	0.4
278.11392	1.2
280.11868	0.5
282.07544	2.0
288.08517	0.5
300.08612	2.1
318.09665	3.0
335.13382	0.7
336.10760	0.8
353.21683	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.084
Annotation	7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
Peak:m/z	Relative Intensity
55.44643	1.5
56.83174	1.5
56.96558	5.9
57.03426	2.3
68.18922	1.4
69.03431	4.5
71.58260	2.6
73.02904	3.8
85.02907	6.3
94.93003	2.7
97.02902	3.2
98.97584	5.4
100.99152	2.0
110.48608	1.5
111.79169	1.5
111.80050	1.4
116.98619	3.2
119.01865	1.9
119.63295	1.5
127.03941	3.9
131.00195	3.6
131.69797	1.5
138.05563	2.3
139.91438	2.4
143.01927	3.5
145.05009	1.6
146.99701	2.5
149.01221	16.5
161.02948	5.0
167.02313	6.5
173.02969	5.2
174.04599	2.0
174.26921	1.5
183.05016	1.7
191.02278	1.8
191.03944	3.4
203.04117	2.1
208.97298	4.9
208.99731	2.4
232.99741	4.2
233.05255	2.0
245.05141	4.3
251.00832	1.6
263.06168	3.8
272.06525	11.9
275.06097	2.0
293.05396	12.7
311.06540	10.9
319.72073	1.5
353.08450	100.0
354.09045	3.6
365.09094	2.5
365.99472	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	13.9
55.05513	3.2
56.96558	13.6
57.03424	8.7
57.61621	3.1
60.04512	2.9
61.02921	8.5
65.03937	6.2
67.05500	8.4
69.03427	34.0
69.07053	5.1
69.19019	2.9
69.46059	29.8
70.06577	11.4
71.04989	7.7
72.08144	4.4
72.93771	4.7
73.02899	12.9
74.02435	12.5
81.03409	26.8
83.01316	3.9
83.04985	3.3
84.08136	8.2
84.96000	4.5
85.02911	30.4
87.04465	7.4
91.05461	10.6
92.04976	11.5
94.06556	20.3
95.01314	4.9
95.04955	6.2
96.04459	4.2
97.02891	61.5
98.06004	4.6
98.97564	13.4
99.00797	12.4
99.04440	4.7
104.04986	6.1
106.06512	4.6
107.04948	37.9
109.02851	7.8
110.06036	4.1
111.04435	7.0
115.03930	23.1
115.05357	4.1
116.98614	12.9
117.05741	5.7
118.06543	25.6
119.01801	5.5
119.04928	7.8
120.04457	93.4
120.08099	3.9
121.02820	6.3
123.04433	7.9
127.03901	16.7
128.02365	6.0
128.07060	9.5
128.98584	8.5
129.07001	3.7
130.02858	11.3
130.06519	39.8
131.04955	3.1
132.04445	11.1
132.08066	13.7
132.95796	8.3
133.02789	4.7
134.99638	8.8
136.07582	77.1
140.02228	3.7
142.06494	9.1
144.04420	7.0
144.08008	4.5
145.05177	4.1
146.05994	100.0
146.97398	5.3
146.99628	7.6
147.04398	6.7
148.07545	8.8
149.01167	7.6
150.05486	8.1
150.96840	4.4
151.03838	5.4
155.02859	5.6
156.04433	16.1
156.07996	15.9
158.06017	43.3
158.97462	4.1
158.99634	4.9
159.06812	10.0
160.07585	19.1
161.01215	6.0
161.02434	6.0
162.05455	15.0
164.07005	3.4
167.07303	4.2
168.08101	17.5
170.05995	24.0
170.09615	7.4
170.99576	6.4
172.07571	17.9
174.05530	16.0
174.09142	5.6
177.00697	13.1
179.03476	5.8
180.08066	17.0
182.03320	7.0
182.06120	7.3
183.06767	18.1
183.98186	6.6
184.05992	6.3
184.07570	76.5
185.08305	16.7
186.05504	26.1
186.09013	18.2
188.07057	10.7
189.00668	7.6
190.04959	20.3
190.98586	3.4
191.03891	16.1
192.06560	25.6
194.06013	13.0
196.07545	40.9
197.08328	4.6
198.05458	13.2
198.09123	28.3
200.04318	5.1
200.07080	8.4
200.12117	3.1
201.00670	3.9
202.08604	22.3
204.06506	11.4
207.06857	5.6
208.07547	31.1
208.99586	5.1
209.09207	4.8
210.15599	3.5
210.96800	5.0
212.07051	19.2
214.08595	26.4
216.10263	5.0
219.01790	7.4
220.07541	7.4
220.09560	3.9
222.05466	6.4
224.07111	16.6
225.07861	4.8
226.08586	28.6
227.96985	4.2
232.09679	7.4
232.97383	8.8
232.99580	7.3
234.99046	6.8
236.07104	18.3
237.02769	8.2
238.08658	7.4
239.10281	6.2
240.06548	16.4
242.05476	7.7
244.09697	37.3
252.06522	8.5
254.08133	33.4
258.07590	7.3
262.10767	29.2
263.06006	10.4
264.06531	14.1
270.07602	53.0
272.06519	63.5
272.09167	6.6
272.56641	8.9
276.07571	7.0
280.11856	12.9
282.07584	31.6
288.08820	8.2
290.10297	3.6
300.08643	49.5
317.11285	8.0
318.09671	82.9
320.58661	4.2
335.12302	8.0
336.10632	18.8
353.01886	4.3
353.08469	22.4
353.12927	3.1
354.00415	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	352.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	29.5
67.05505	77.7
67.29498	15.1
69.07068	19.0
70.00044	47.7
70.00456	29.3
70.06585	66.7
79.05495	67.0
81.07046	68.1
82.06568	29.3
91.05469	23.2
93.07045	34.1
95.08618	53.8
96.97366	16.0
105.06999	16.9
107.08643	22.8
109.10192	37.4
115.90260	17.9
126.12782	38.5
154.12238	28.5
166.15944	31.7
209.38240	20.7
212.16432	53.1
220.16959	17.4
252.19604	45.3
259.09235	16.6
302.57974	15.5
352.28412	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.8
55.01871	10.4
55.05516	42.9
56.05034	8.8
56.05844	11.7
56.96568	4.8
57.03440	22.1
57.07063	7.8
58.03769	3.2
58.06588	13.0
60.04522	8.6
60.78034	3.0
62.06860	3.2
65.03925	4.9
67.05508	97.4
68.05839	21.6
69.07074	33.8
70.07392	8.2
70.14442	11.9
71.04984	6.6
71.08639	34.6
72.08965	12.6
72.30466	2.8
79.05495	70.6
80.05034	3.5
80.05830	22.9
81.03415	10.2
81.07056	100.0
81.50269	3.0
82.07380	29.8
83.04980	9.8
83.08617	16.3
84.08184	3.4
84.08941	5.9
85.06554	4.6
91.05488	49.8
92.05807	19.3
93.07050	69.5
94.06569	5.1
94.07367	30.5
95.04974	23.1
95.08611	63.1
96.05301	5.2
96.08952	15.1
97.06516	8.6
97.10174	7.9
98.09737	3.9
98.10479	3.5
99.08086	28.8
100.07650	6.0
100.08419	8.0
105.07038	45.6
106.07372	18.9
107.04925	4.8
107.08604	40.9
108.05269	3.1
108.08948	18.3
109.06496	10.8
109.10156	31.3
110.06815	7.5
110.10491	11.3
111.04448	5.0
111.08096	4.2
113.09630	4.4
117.06998	6.8
118.07305	5.8
119.08589	37.4
120.08930	11.6
121.10151	28.2
122.10494	13.3
123.08096	3.1
123.11718	7.1
124.12077	3.2
125.09679	5.8
126.09919	4.7
126.12922	3.4
129.07027	4.9
131.08575	13.7
133.06566	3.3
133.10136	26.5
134.10477	13.6
135.08046	4.7
135.11694	24.8
136.12057	15.4
137.05988	39.6
137.09633	13.2
138.06320	24.5
138.09949	3.3
143.08607	3.7
144.08905	4.6
145.10152	18.4
146.10481	9.0
147.11713	22.9
148.12033	12.5
149.13258	14.2
150.13583	12.5
150.62514	3.4
151.11197	11.5
152.11543	11.6
154.12270	48.2
159.11703	8.4
160.12030	6.0
161.13318	20.8
162.09914	3.6
162.13625	17.2
163.11191	7.9
163.14821	7.7
164.11531	9.2
165.09106	3.5
165.12660	3.8
166.13118	4.3
171.11621	5.2
172.12068	6.1
172.13364	25.6
173.11821	4.9
173.13257	7.1
174.04027	3.4
175.14748	3.0
176.11580	5.4
176.15199	8.8
178.13184	4.2
179.14247	15.2
180.14720	18.6
185.13194	4.5
186.13538	3.9
196.13373	13.0
214.16779	3.8
216.68645	3.0
232.17738	4.6
232.21477	4.4
242.19893	14.9
250.18813	3.7
259.20499	4.5
260.21042	26.2
261.22095	5.5
274.21326	3.1
275.20047	11.4
276.20514	3.6
278.18402	16.1
278.21939	32.5
292.22797	14.2
306.24118	2.9
334.24188	4.6
352.18927	15.2
352.25510	76.6
353.19122	3.7
370.19839	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	352.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.4
55.01860	4.2
55.05297	1.6
55.05511	19.3
56.05028	8.3
56.96553	4.1
57.07074	7.3
58.06584	5.5
60.04521	14.9
65.03945	2.4
67.05501	37.6
68.05022	2.2
69.03413	1.6
69.07067	43.1
69.38766	3.0
69.39169	12.8
70.06580	5.9
70.07394	2.4
71.04977	2.2
72.08156	2.5
79.05485	27.3
80.05019	30.8
80.05789	1.7
81.03400	3.6
81.05774	1.8
81.07053	27.9
82.06596	5.4
83.04990	3.7
83.08626	7.7
84.08144	2.0
91.05474	26.5
93.05777	1.7
93.07038	25.6
94.06557	18.4
95.04963	9.8
95.07348	4.7
95.08598	22.2
95.09174	2.4
96.08118	4.0
97.06547	3.8
97.10163	6.5
98.09696	3.8
98.20737	2.9
100.07590	4.2
105.07027	29.9
106.06557	5.6
106.07233	1.5
107.04959	4.0
107.08576	25.3
108.08109	13.7
109.06526	4.4
109.10142	15.6
110.09661	2.4
111.08096	2.7
115.07557	2.9
117.06294	1.4
117.06998	7.1
119.08568	17.7
120.08107	5.4
121.06474	1.6
121.10122	8.8
122.09666	2.4
123.08064	1.9
125.09658	2.5
125.67798	1.5
129.00967	1.6
129.06998	2.5
131.08560	11.4
133.09203	2.2
133.10133	17.5
134.09633	2.9
135.08130	1.9
135.11690	4.8
136.11166	2.4
137.09630	3.9
138.10252	1.6
138.12746	2.0
140.10719	1.9
141.01039	3.4
143.08556	4.1
145.10115	8.6
147.11679	11.8
148.11223	4.5
149.09634	4.1
149.13260	1.9
150.12781	3.5
154.12276	17.7
157.10130	4.2
159.11703	7.9
161.13246	4.9
162.12808	1.9
163.11172	4.9
171.11700	3.9
172.13318	7.7
173.13309	4.5
175.14868	1.9
176.14261	1.8
177.12740	7.3
179.14223	2.5
180.13843	2.8
183.11768	1.8
189.11223	2.2
189.12878	1.9
192.13844	3.3
196.13329	4.8
197.07288	6.5
198.14964	1.6
204.13803	23.0
206.15419	5.3
208.13422	1.5
210.14978	3.7
222.14870	30.0
223.15540	4.0
224.16447	5.9
231.84586	1.7
236.16389	2.2
238.91487	1.4
239.17911	3.0
250.18044	1.6
254.17357	1.9
257.19009	10.4
272.20200	3.0
274.21680	24.5
275.20038	45.3
282.14536	3.4
290.21170	5.6
292.22684	100.0
293.20941	4.1
316.22665	5.2
334.13312	2.0
334.23749	32.0
352.18625	5.7
352.24890	75.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
55.01857	2.9
55.05509	13.0
56.05009	4.5
56.96561	1.9
57.07075	3.2
58.06591	3.0
60.04520	14.3
63.65674	1.7
65.03924	2.8
66.02734	1.9
67.05163	2.7
67.05499	31.9
69.06712	2.9
69.07063	36.9
70.04058	3.4
70.06580	4.5
71.11810	4.6
72.63419	1.7
78.38856	1.9
79.05489	32.7
80.05011	39.0
81.03410	2.9
81.07052	26.3
82.06559	2.6
83.04937	4.1
83.08611	8.2
84.08134	3.7
85.06524	2.0
91.05475	26.0
92.04980	2.7
93.05820	2.1
93.07041	19.6
94.06566	20.5
95.04958	7.9
95.07352	3.3
95.08605	17.1
96.08141	3.3
97.06509	4.8
97.10154	7.5
98.09689	3.1
105.07028	32.6
106.06554	3.8
107.04967	3.3
107.08578	25.4
108.08096	11.7
109.06539	5.1
109.10132	7.9
117.07012	7.5
119.08582	17.5
120.08093	4.0
121.06541	2.4
121.10136	9.7
122.09679	2.4
124.11290	2.2
125.09618	6.9
129.07008	2.4
131.08559	11.6
132.08078	2.5
133.10124	13.5
134.09657	5.2
135.08041	2.3
135.11659	2.5
136.11203	3.1
137.09590	3.5
138.10210	3.4
138.12740	3.3
145.10120	8.1
147.11691	10.2
148.11195	4.3
149.09616	4.1
154.12276	3.1
157.10109	3.8
159.11671	6.0
161.09581	2.5
161.13252	5.6
163.11232	3.6
171.11729	2.6
172.13345	2.5
173.13292	3.2
176.14331	4.1
177.12714	5.2
183.11620	2.0
187.11119	2.7
188.48744	1.8
189.11195	4.8
197.07149	2.5
197.13182	2.5
204.13826	24.9
206.15387	7.7
210.14911	5.1
222.14861	30.7
223.15575	2.9
224.16449	8.2
236.16605	2.2
257.19077	10.0
258.12576	2.0
272.20059	4.3
274.21655	19.2
275.20029	42.1
277.34464	1.8
290.21170	6.4
292.22668	100.0
293.20731	3.8
310.23911	2.7
316.22705	4.4
334.23697	18.4
352.21619	81.5
352.24982	48.9
353.16205	3.1
353.22061	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.5
55.05514	5.7
55.05740	1.1
56.05032	1.8
57.03423	2.0
57.07064	1.6
58.06596	2.5
60.04519	4.1
60.56298	0.9
67.05501	8.6
68.05836	1.6
69.03445	1.1
69.07072	6.3
70.06601	1.0
71.08624	2.2
71.59158	1.0
77.00919	1.2
77.05006	0.9
79.05494	8.9
80.05791	1.0
81.03409	1.5
81.07056	8.7
82.07391	2.3
83.04974	1.4
83.08610	2.2
85.10176	1.1
91.05477	6.1
92.05795	1.2
92.76031	0.9
93.07034	7.2
94.06561	1.3
95.04952	2.2
95.08611	6.3
96.02041	1.0
96.08926	1.0
97.06546	1.8
98.09653	0.9
99.08067	1.5
100.07618	0.8
105.07023	5.6
106.07388	1.6
106.63421	0.8
107.04971	1.2
107.08598	6.4
108.08130	2.4
108.08907	1.8
109.10139	2.3
110.10490	1.0
111.08080	2.2
113.09626	1.0
114.09994	0.9
117.07017	2.1
119.08575	6.0
120.08118	1.0
120.08944	0.9
121.10155	2.0
122.09669	1.7
122.10488	1.0
123.08074	1.3
130.30757	0.8
131.08546	1.2
132.08101	2.0
133.08887	3.2
133.10127	3.7
134.09625	1.7
135.11739	2.4
135.98465	0.8
144.20787	0.8
145.10107	4.0
147.11711	2.3
148.12094	1.0
149.09605	0.9
149.13286	1.1
151.11208	1.7
151.21703	0.8
152.11595	1.0
159.11678	1.8
160.11226	2.3
161.13258	1.6
162.12750	11.9
162.13803	1.0
163.11224	4.4
173.13257	1.2
177.12740	11.5
180.13826	17.6
185.04227	2.8
194.15369	1.8
198.14838	2.2
202.09918	1.0
212.16499	2.5
213.49831	0.9
215.37909	0.9
216.11494	1.9
236.16458	1.1
254.12978	1.8
257.18976	0.9
260.21033	1.0
272.14120	3.1
274.21625	1.8
275.20071	7.4
278.22009	3.4
292.22754	5.2
293.21521	0.7
334.19775	2.6
334.23959	1.5
352.21671	100.0
352.25098	21.3
353.15747	4.0
353.22061	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	352.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
55.01869	5.1
55.05506	29.1
56.05018	2.3
56.05820	1.0
56.96547	1.8
57.03417	2.8
57.07070	4.6
60.04506	3.0
61.02888	1.0
65.03933	0.9
67.05501	17.8
68.05016	0.9
69.03416	2.8
69.07068	7.9
69.36812	2.5
69.37234	6.6
70.06583	1.5
71.04969	1.9
71.08620	2.3
72.08140	1.2
74.97372	0.8
79.05486	16.7
80.05009	2.8
81.03412	2.5
81.07050	21.5
82.02934	1.0
82.06561	3.6
82.07372	1.0
83.04959	4.0
83.08614	12.6
84.08140	4.3
91.04967	0.9
91.05482	8.6
93.07042	12.9
94.06562	3.0
94.07339	1.7
95.04966	14.6
95.08590	9.8
96.04465	4.4
96.08067	0.9
97.06500	2.1
97.10157	19.0
98.21503	2.1
99.08099	1.0
105.07034	7.6
106.06538	2.4
106.07270	1.0
107.04933	6.9
107.08585	11.9
108.08082	1.4
109.06501	4.3
109.10111	4.7
110.06034	3.1
111.08079	2.6
112.11232	1.4
117.06994	3.1
119.08569	5.6
120.08100	1.4
121.06481	3.0
121.10144	3.6
122.10484	0.9
123.08045	2.5
123.11692	1.7
124.11205	2.7
125.09630	10.9
129.06955	0.9
131.08560	3.7
133.06552	1.0
133.10112	3.6
135.08014	2.8
135.11674	7.1
136.12065	1.1
137.09612	1.6
138.12769	2.7
140.14339	18.7
145.10071	3.5
147.08028	1.4
147.11653	2.8
149.09598	5.6
151.11194	1.4
153.12746	2.3
154.12257	20.9
157.87415	0.8
159.11658	1.6
160.31186	0.9
161.13200	1.7
163.11136	5.6
164.14323	1.7
165.12724	2.2
166.12248	2.2
168.13878	1.7
173.13235	1.0
176.14275	1.6
177.12700	2.8
177.27921	0.8
179.10600	0.9
179.14320	1.8
180.13837	3.6
181.12245	3.5
182.15376	8.2
189.11208	3.7
190.16064	1.1
197.07352	1.9
208.13263	3.7
217.07480	1.3
222.14882	2.8
223.13188	5.5
226.14619	1.0
229.07477	2.8
236.16440	2.2
246.22195	2.0
247.08392	2.4
247.20554	1.3
259.20453	1.1
260.20956	1.7
264.23260	2.7
274.21631	8.8
275.20068	10.2
292.22684	34.0
293.21060	40.4
310.23737	20.1
310.27209	0.8
334.23767	12.9
352.24811	100.0
353.25116	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	352.2117
Annotation	Stemonidine
Peak:m/z	Relative Intensity
53.03934	2.0
54.73708	0.5
55.01859	0.8
55.05508	2.1
56.05029	1.9
56.96553	1.1
58.99586	0.6
60.52484	0.5
64.01752	0.6
67.05498	2.5
69.03418	1.4
69.07053	2.2
70.06586	4.4
71.04984	1.1
71.59879	1.0
72.04494	0.7
72.08135	2.9
79.05484	2.8
81.03407	1.8
81.07063	3.2
83.04963	1.1
83.08605	0.9
84.04502	0.8
84.08136	2.4
84.96064	0.6
85.02892	1.9
86.09702	2.7
87.04454	2.5
91.05480	11.0
93.07040	14.8
94.06544	0.8
95.04979	4.4
95.06051	0.8
95.08604	1.8
97.02889	0.9
97.06519	1.6
98.09713	0.7
103.05463	8.6
105.04506	1.2
105.07004	1.7
106.94067	0.7
107.04955	16.5
107.08581	1.3
108.05284	2.1
109.10166	1.5
110.07178	0.8
119.08560	0.8
120.08118	2.9
121.02835	1.6
121.06505	100.0
122.06063	1.0
122.06819	3.0
123.04418	2.4
128.07114	0.7
133.06523	0.7
133.10126	1.2
136.06197	1.5
147.04401	0.9
148.07513	0.7
152.05688	3.9
154.12285	4.8
169.66853	0.7
172.13310	11.5
182.15492	1.1
184.13322	1.5
188.07068	1.2
197.01122	0.6
210.14931	1.5
211.13341	1.5
219.10112	1.6
228.14049	0.8
228.15849	3.3
230.15443	2.4
232.15433	7.2
247.17751	0.6
248.16402	1.3
260.13660	0.8
266.17572	0.8
292.19070	20.0
293.19461	0.8
334.16580	0.8
334.20090	6.5
345.04507	0.9
352.21216	54.7
352.24530	2.0
353.06601	0.9
353.14227	0.9
353.21503	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.2
53.03939	0.6
55.01859	0.2
55.05503	0.7
56.05025	0.4
56.96553	0.2
57.03421	0.4
57.07063	0.5
58.96172	0.1
60.04516	0.5
63.11322	0.2
67.05164	0.2
67.05499	1.9
68.05015	0.2
68.05804	0.2
69.03416	0.2
69.07054	1.9
70.04052	0.2
70.07349	0.1
70.18695	0.3
70.19090	0.4
71.04992	0.2
71.08595	0.1
77.03935	0.3
79.05486	2.7
80.05006	1.2
80.05788	0.2
81.03403	0.2
81.07045	1.6
82.06571	0.2
83.04970	0.3
83.08596	0.4
83.96857	0.1
84.08130	0.2
86.09671	0.2
87.04487	0.2
90.21577	0.1
91.05474	1.5
92.05791	0.2
93.05776	0.2
93.07034	1.5
94.06561	1.0
94.07375	0.4
95.04959	1.9
95.06023	0.2
95.08574	1.0
96.08109	0.3
96.08934	0.2
97.06525	0.2
97.10139	0.5
105.04491	0.2
105.07033	1.4
106.06580	0.2
106.07332	0.2
107.04943	100.0
107.08567	1.4
108.05272	1.8
108.08099	0.4
108.08882	0.3
109.06526	0.4
109.10146	0.4
110.07156	1.2
112.07592	0.5
113.29858	0.2
114.05553	0.2
115.07497	0.2
117.06918	0.3
119.08558	0.9
120.08918	0.2
121.06439	0.5
121.10118	0.9
122.09659	1.5
122.10463	0.2
125.01500	0.4
125.09584	0.4
126.41529	0.2
131.08559	0.6
133.10114	0.9
134.09604	0.2
134.10490	0.2
135.11642	0.4
136.11118	0.2
136.12024	0.2
137.05952	0.7
138.06320	0.3
138.09067	0.2
140.10686	25.1
141.11044	0.3
144.07970	0.3
145.10101	0.3
147.11664	0.7
148.12047	0.2
149.09612	0.4
150.09146	0.3
150.13792	0.2
152.10710	0.5
157.10114	0.2
158.97652	1.4
159.11659	0.2
161.13141	0.3
173.13225	0.2
175.14775	0.2
177.12746	0.2
189.11203	0.2
199.06964	0.4
201.53026	0.2
204.13788	0.4
206.15434	0.2
214.98412	0.4
222.14890	0.5
222.18416	0.2
224.16414	0.5
242.19861	0.3
242.57939	0.1
244.13319	1.0
245.13582	0.3
246.14876	22.5
247.15176	0.3
250.18820	0.1
257.18918	0.2
259.20618	0.2
260.20859	0.6
272.19699	0.2
274.21527	0.6
275.20032	1.3
278.18362	0.4
278.21735	0.2
290.20947	0.2
292.22665	2.9
296.09656	1.1
299.52368	0.2
334.23718	0.7
337.16187	0.4
352.01767	0.3
352.14322	0.7
352.18958	5.8
352.24927	2.1
352.28519	0.8
359.25540	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1616
Annotation	trans-Zeatin-riboside
Peak:m/z	Relative Intensity
51.86564	0.2
55.01867	0.4
55.05506	0.7
56.05043	0.8
56.96561	0.4
57.03430	0.6
57.07067	0.5
59.16949	0.3
60.04522	0.7
66.87064	0.3
67.05505	1.2
68.05015	0.4
69.03427	0.4
69.07061	0.6
70.02940	0.4
70.06594	10.8
70.09320	1.4
71.06921	0.5
72.08157	3.3
73.02911	0.5
74.00686	0.5
74.06097	0.3
79.05489	0.4
83.06140	0.4
84.04517	1.7
84.08138	3.5
85.02898	0.7
86.09706	3.2
88.03977	0.4
91.05466	1.5
97.02950	0.4
98.09705	0.4
107.04928	1.5
107.08611	0.5
110.07174	1.2
112.08767	0.3
115.08712	0.5
116.07159	0.3
119.03568	1.1
119.82969	0.3
120.01174	2.8
120.08115	3.1
121.06447	0.4
121.08440	0.5
123.04413	0.4
129.10234	2.6
135.06680	0.3
136.06186	100.0
137.04546	1.1
137.06525	1.3
148.06177	2.9
149.09607	0.3
159.06721	1.9
159.07841	0.4
166.08711	0.4
173.08308	0.4
175.09781	0.6
175.11949	0.4
184.07269	0.7
185.08231	5.6
187.08588	0.5
193.09631	0.6
194.03787	0.3
202.10880	9.1
220.11931	98.1
221.12228	2.3
268.31760	0.3
278.47675	0.3
333.22409	0.4
352.16180	6.5
352.25812	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1603
Annotation	(+)-Validoxylamine G
Peak:m/z	Relative Intensity
50.92626	5.0
55.05503	19.4
56.05040	31.4
56.96558	8.7
57.03428	10.3
57.07076	7.1
58.06596	8.1
65.64599	4.9
67.05507	13.7
67.65229	4.6
69.03439	33.8
69.07073	9.3
70.06595	58.5
71.01355	6.4
71.04967	6.7
71.57565	4.8
72.08163	28.6
73.02916	8.8
74.06075	29.7
76.96320	5.7
79.05478	6.5
81.03432	10.4
81.07085	7.4
82.06581	13.9
83.04972	49.9
83.06087	6.5
84.04500	21.5
84.08152	39.4
85.02915	34.8
85.06547	18.5
86.06050	9.8
86.09718	8.3
88.03987	7.5
95.04979	15.5
95.06214	5.7
96.04501	5.8
97.02908	20.4
98.03562	8.1
98.06065	9.6
98.09692	43.6
99.04476	16.8
100.16051	5.6
100.99125	5.5
101.07128	6.2
102.05549	6.3
102.36243	5.3
107.04892	5.8
108.08134	6.2
109.02892	10.2
110.06057	19.8
110.07154	32.7
111.04449	10.3
112.07622	8.3
113.02351	7.0
113.06046	24.8
114.09184	67.6
116.04533	4.9
119.05016	5.9
120.08116	23.2
123.04469	8.1
123.06642	6.4
125.02385	7.7
126.05515	16.4
126.09142	37.2
127.03920	18.1
127.08520	5.4
128.07091	13.7
129.05438	8.2
129.10258	18.0
130.08672	5.4
136.06212	21.3
136.07559	55.7
137.05984	8.0
138.05504	6.0
138.07669	4.9
144.10219	12.0
145.04959	9.2
154.08653	11.4
162.07774	10.7
163.08553	21.7
164.09247	13.0
164.11842	4.9
168.06564	12.5
169.04994	7.6
172.09706	45.6
180.11169	8.3
186.07674	16.9
190.10760	24.7
203.10382	33.1
220.12999	7.2
233.00063	7.3
276.06689	5.2
298.12903	16.3
316.13855	28.8
317.12305	7.5
334.14923	46.7
335.14560	7.4
352.16074	100.0
353.16467	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	352.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	7.3
55.01854	10.9
55.05500	4.8
56.96552	10.4
57.03423	9.0
59.24961	3.3
61.02920	7.8
67.05492	13.0
68.99776	3.9
69.03142	3.3
69.03427	41.5
69.07062	90.6
70.06578	11.8
70.54427	9.7
71.04987	11.2
72.08146	9.6
73.02892	7.5
74.00642	6.1
79.05481	11.1
81.03421	21.2
81.07048	17.0
83.04973	3.4
83.08612	5.2
84.04486	5.8
84.08134	7.6
85.02423	6.3
85.02902	100.0
85.06525	4.0
86.09693	16.7
87.00822	46.5
87.04420	5.8
91.05463	27.4
93.07034	11.3
95.04960	5.8
95.06084	3.4
95.08608	7.9
97.02873	62.1
97.06511	15.1
97.10152	3.2
98.97588	4.8
99.04449	12.0
105.01859	98.1
105.07023	6.7
107.04943	42.7
107.08586	6.6
108.04450	5.1
108.37807	3.2
109.02882	28.7
110.02359	4.6
110.07159	7.7
113.10783	3.5
116.98604	5.5
117.01808	5.1
118.03674	4.2
119.08576	4.3
120.01119	6.6
121.02877	4.1
121.06451	5.5
122.02757	7.4
123.04448	6.7
127.03911	90.9
129.01851	3.9
131.08574	3.6
132.10254	5.7
141.10191	9.7
145.02899	6.0
145.04939	58.6
146.03113	5.1
147.04391	6.1
159.02896	10.6
163.00749	4.9
166.08609	10.8
173.05869	4.1
177.05479	10.4
177.12636	4.2
178.05748	12.7
181.01700	11.7
187.10750	6.8
189.03972	4.0
195.10152	4.0
195.13759	9.8
200.13919	4.4
212.09116	7.5
212.16435	3.8
213.03970	3.6
213.14915	17.3
217.04825	4.0
229.11862	10.0
231.04982	25.1
246.14485	10.3
248.16440	3.5
249.06000	11.5
260.13571	5.0
264.15829	4.5
271.12964	8.1
274.08887	3.5
316.15787	7.0
316.19232	3.9
330.14294	3.6
334.11157	8.8
334.16888	23.9
352.17471	10.7
352.21762	8.1
352.26016	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	352.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69905	4.9
55.05513	6.7
56.05024	13.4
56.96542	7.8
57.03422	9.6
58.06602	12.7
60.04525	13.7
67.05499	8.6
69.03415	12.3
69.07049	7.3
70.06244	8.6
70.06594	100.0
71.08103	4.8
71.31108	11.0
72.08163	57.3
74.06078	11.1
81.03436	5.8
84.04504	57.9
84.08154	83.3
85.02907	31.8
86.09711	45.9
86.37901	5.0
87.05588	6.6
88.03976	9.7
91.05475	10.9
95.06091	6.0
96.10409	4.9
97.02888	14.2
103.05442	7.8
107.04950	13.6
110.07140	34.2
116.07113	12.5
117.06987	6.9
118.06534	23.3
120.08120	47.9
127.03883	7.6
129.10257	35.8
130.05006	8.4
130.06509	33.4
132.08067	14.7
134.06116	5.5
136.07581	29.8
143.07292	12.6
144.08099	96.9
147.11406	6.7
156.07866	9.5
159.09174	14.3
160.07550	47.3
160.63736	5.2
166.08627	6.9
168.08002	6.6
172.07556	93.1
177.10240	5.4
184.07397	5.3
190.08630	22.0
237.02809	13.8
249.16194	5.6
258.16214	5.6
263.17355	5.8
308.16022	6.6
352.25916	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1543
Annotation	Dehydroglaucine
Peak:m/z	Relative Intensity
55.01889	0.4
55.05508	1.1
56.96548	0.4
57.03434	0.4
65.03934	3.7
67.05502	1.1
69.07063	0.5
70.06576	0.9
71.01359	0.4
71.04982	0.3
71.59454	0.4
72.08138	0.8
79.05489	1.1
81.03411	0.6
81.07040	1.1
82.06576	0.4
83.08607	0.5
84.04482	0.6
84.08124	0.6
85.02894	0.5
86.09712	0.4
87.04457	0.3
88.11280	0.4
91.05479	1.6
93.07020	0.6
94.06575	0.5
95.04953	0.6
95.08617	1.0
97.02897	0.3
98.97540	0.4
100.07602	0.3
100.11265	1.1
105.07034	0.8
106.06525	0.4
107.04948	15.2
107.08570	0.5
108.05289	0.5
108.08105	2.3
109.02815	0.3
109.10176	0.3
111.04439	4.5
116.98571	0.4
118.06541	0.4
120.08038	0.4
121.02863	100.0
121.03878	3.8
122.03209	1.7
122.06032	0.3
124.07564	0.4
126.09119	1.8
133.10135	0.4
134.99666	0.3
136.07594	1.4
141.11501	0.4
146.05969	0.4
152.07040	0.6
160.97374	0.3
164.07059	1.7
182.15421	0.9
188.10655	0.5
210.14963	0.3
214.12335	1.5
223.25854	0.3
228.15959	0.3
230.11719	0.4
232.13359	1.0
246.11269	3.2
258.11295	2.1
264.15887	0.4
309.21640	0.4
334.23752	0.4
352.15405	61.7
353.15823	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	352.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92741	0.5
51.02372	0.5
53.03939	0.9
55.05502	2.1
56.96535	0.7
57.07072	32.5
58.81017	0.5
65.03947	0.6
67.05502	3.0
69.07064	100.0
69.40701	4.9
70.04082	0.8
70.07409	1.8
70.07847	6.8
71.08620	1.1
79.05484	1.5
80.05825	0.5
81.07050	1.4
85.06528	0.6
91.05447	1.3
92.83931	0.5
93.07027	0.8
95.04973	1.0
98.21518	1.1
98.88370	0.6
99.00002	5.3
106.06578	0.7
111.04458	1.2
113.01559	2.6
114.03027	1.1
115.07561	21.7
124.07601	0.9
126.99456	9.6
128.99150	1.2
129.01031	13.0
130.59988	0.6
131.00751	1.5
134.07207	0.7
135.08003	1.0
139.00572	0.8
141.01013	17.3
141.02072	1.0
143.00748	1.6
148.08734	1.4
150.10313	2.9
150.70781	0.6
155.02583	6.9
157.02333	1.0
161.09677	0.8
178.09821	0.9
183.00317	1.0
190.09825	0.9
194.09282	1.3
195.10004	0.6
197.07277	66.4
198.07689	2.0
199.06966	4.2
225.06654	4.1
236.16614	0.8
239.06557	2.0
252.03439	1.2
260.20987	0.7
265.58173	0.6
306.08252	2.8
334.23895	0.8
352.10760	2.9
352.24985	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75520	4.3
55.05518	4.8
56.05024	5.9
57.03421	6.5
58.06585	7.0
61.02911	4.4
69.03432	9.8
70.06591	57.9
71.56600	8.0
72.08159	23.4
74.06090	5.3
79.31294	4.6
84.04484	22.8
84.08141	35.5
85.02906	28.4
86.09717	33.6
88.03971	7.3
91.05467	5.3
97.02882	12.8
98.97604	5.4
102.05534	5.9
107.04946	10.9
110.07153	19.9
118.06517	17.7
120.08104	20.7
129.10234	13.4
130.06532	29.3
132.08096	8.2
136.07567	10.5
139.14453	4.8
143.07275	8.1
144.08086	81.1
159.07704	5.4
160.07593	34.0
169.65805	5.0
172.07576	100.0
190.08585	28.0
191.70143	4.7
271.98526	5.5
352.11246	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14905	1.8
53.00293	3.0
53.03930	6.0
54.02330	2.1
54.72929	2.0
55.01854	7.1
55.05267	2.3
55.05510	42.5
57.03435	28.9
57.07062	7.5
65.03912	4.4
65.55715	2.4
67.05500	99.6
69.03416	2.9
69.07065	34.6
71.04979	2.9
71.08624	55.9
71.44289	4.7
79.05486	80.2
81.03419	11.4
81.07050	93.8
83.04977	13.7
83.08614	22.9
85.06535	7.1
90.01298	2.0
91.05473	63.7
93.07034	100.0
95.04947	24.1
95.08599	59.8
97.06531	15.9
97.10152	18.7
99.08086	44.1
105.06291	2.6
105.07014	50.3
105.07610	1.9
107.04940	12.4
107.08585	61.8
109.06496	7.3
109.10143	36.7
111.08083	7.0
113.09608	3.8
115.05431	2.6
117.07000	14.4
119.08573	45.7
121.06496	3.7
121.10139	51.1
123.08091	3.9
123.11703	8.3
125.09605	7.8
129.06998	7.0
131.08569	14.5
132.28064	2.1
133.10117	38.2
135.07983	2.4
135.11679	53.6
136.11896	2.2
137.09636	6.0
137.13217	2.3
138.12859	2.1
140.14320	3.9
141.09062	3.0
142.07693	2.5
143.08557	5.9
145.10109	16.3
147.11665	25.9
149.09669	3.3
149.13249	23.8
151.11159	21.8
153.12750	4.1
154.12314	3.3
157.10107	7.4
159.11710	10.5
161.13237	30.1
163.11145	9.3
163.14763	6.4
165.12790	4.9
167.10603	4.0
171.11703	8.2
173.13242	5.9
175.14827	9.7
177.12738	7.8
179.14305	99.4
180.14714	2.2
182.15474	2.6
185.13255	6.1
187.14827	2.6
189.11133	5.6
189.12730	3.1
199.14771	7.2
203.14246	2.6
208.13377	2.9
208.17377	2.0
213.16377	2.9
220.89003	2.1
221.15344	5.3
231.21175	4.1
235.16995	5.7
241.19476	17.2
259.20563	41.7
260.20712	2.2
277.21603	51.2
292.22748	7.0
293.21075	6.8
310.23920	4.5
351.25281	74.5
352.24979	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.8
55.05509	19.1
57.03424	9.2
64.44453	2.8
67.05502	52.3
69.07069	18.2
70.10827	4.1
70.11164	14.2
71.04980	5.0
75.04469	5.2
79.05492	72.4
81.07047	57.1
83.04983	2.9
83.08593	7.7
84.99712	3.0
85.06541	4.4
90.16440	3.3
91.04962	2.9
91.05472	56.8
93.07040	100.0
95.04958	9.0
95.08614	38.6
97.06501	4.1
99.08081	3.6
103.38362	3.2
105.07028	60.5
107.08585	58.4
107.63152	3.2
109.06536	3.2
109.10152	16.8
111.08020	3.9
111.12566	3.0
117.07030	10.4
119.08578	55.0
121.10140	40.7
123.11704	3.7
129.06992	9.7
131.08559	14.0
133.10124	44.7
135.11685	43.5
142.00316	2.9
143.08557	6.9
145.10146	23.5
145.11108	3.8
147.11681	45.9
149.13252	23.5
155.22939	3.1
157.10118	9.9
159.11696	14.2
161.13243	43.9
163.14769	7.9
171.11674	10.0
173.13309	12.1
175.14804	14.9
177.12744	4.2
185.13206	9.0
199.14748	6.4
217.19449	3.6
231.17403	5.2
231.20996	3.9
241.19504	35.4
259.20584	81.2
277.21655	10.0
333.24347	3.5
351.25211	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.3
55.05508	20.6
56.96568	4.3
57.03421	11.1
57.07066	10.2
57.54786	1.6
63.20154	1.6
65.03949	3.4
67.05502	64.4
69.03457	2.4
69.07064	25.4
70.04082	4.9
71.04980	4.0
71.08638	3.2
71.25063	3.3
75.04463	2.0
76.05259	1.7
77.03939	1.7
79.05490	81.0
80.05868	1.8
81.07054	67.8
81.99603	1.7
83.04977	2.5
83.08607	13.2
85.06555	5.2
91.05482	54.2
91.08804	1.9
93.07039	100.0
94.07397	3.0
95.04445	1.8
95.04942	8.7
95.08602	48.3
97.02975	1.8
97.06536	5.2
97.10184	3.8
99.08104	4.2
105.04549	3.0
105.07026	66.6
107.04969	3.7
107.08586	61.2
107.09263	3.5
108.08949	3.4
109.06544	5.2
109.10155	15.2
111.08136	3.5
113.09669	2.6
117.07024	11.3
119.08572	48.9
121.10143	50.7
122.10507	1.7
123.08073	2.9
123.11737	5.4
129.07040	6.8
131.08551	23.9
131.09346	1.9
133.10121	53.7
134.10498	2.3
135.08118	2.6
135.11682	58.1
135.12665	3.1
137.06029	3.5
137.09572	2.0
141.07024	1.8
142.07689	2.2
143.08545	11.9
144.09355	2.2
145.10114	26.0
146.10626	1.7
147.11691	48.1
149.09647	3.1
149.13246	26.1
151.11296	1.9
157.10110	9.1
159.11668	20.5
161.13240	36.1
163.11223	3.3
163.14853	10.3
167.08501	1.8
169.10257	1.9
171.11688	13.2
173.13216	14.1
175.11189	3.6
175.14832	12.9
177.12779	3.8
181.10167	2.7
185.13287	11.6
187.14867	2.9
189.12724	1.8
189.16479	2.2
191.14275	2.2
195.11882	1.8
195.13670	1.9
197.07356	4.1
198.71362	1.9
199.14955	5.3
201.79608	1.8
207.13759	1.8
213.16466	3.6
215.34210	2.1
217.19572	4.7
222.17348	2.1
231.21159	6.9
241.19484	28.5
259.20557	92.8
260.21002	4.6
263.21918	1.8
277.21609	19.9
333.17627	3.0
333.24496	8.5
351.18265	9.8
351.25476	66.7
352.25821	3.6
369.19724	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.9
53.03930	3.9
55.01858	1.9
55.05508	14.9
56.06121	1.4
57.03428	4.0
57.07072	22.3
57.40773	1.5
58.24930	1.5
58.50958	1.7
62.35187	1.6
65.03928	1.7
67.05169	2.3
67.05501	35.6
69.07061	76.7
70.05591	6.5
70.07835	5.2
71.04977	1.9
75.04472	1.9
77.03896	1.7
79.05488	56.3
81.07055	41.2
83.08607	5.4
85.06537	4.2
90.33501	1.6
91.05470	46.2
92.05795	1.4
93.07034	69.2
95.04957	7.1
95.08595	29.0
97.06514	3.8
97.10191	2.8
99.00024	2.1
99.08102	2.6
105.07027	57.3
107.08586	37.3
109.06483	2.8
109.10157	9.0
113.09616	2.7
115.07554	17.7
117.06997	9.9
119.08572	46.3
121.10137	24.1
126.99477	6.9
128.06235	2.6
129.01044	10.5
129.06984	8.6
131.08551	18.2
133.10120	48.2
133.11079	3.4
135.11670	34.1
135.60144	1.8
137.29567	2.1
141.01022	10.8
143.08553	9.0
145.10126	20.2
147.11678	47.3
149.09628	3.6
149.13258	19.6
155.02551	5.7
156.22583	1.7
157.10118	6.5
159.11668	20.2
161.09538	1.7
161.13257	35.6
163.11182	2.6
163.14809	7.1
168.08749	1.8
171.11687	11.1
173.13300	10.1
174.78102	1.6
175.14767	13.6
177.12758	1.9
185.13240	11.4
187.14799	2.5
197.07280	63.5
199.14807	7.7
213.16388	2.9
214.47359	1.5
215.17920	1.7
217.19414	2.3
225.06757	4.9
226.59830	1.6
231.17285	2.0
231.21017	7.8
241.19490	31.3
259.20560	100.0
260.20865	3.9
277.21536	3.9
288.32767	1.9
333.24240	2.5
340.84656	1.6
349.34570	1.8
351.25262	49.3
352.10519	2.0
352.25812	2.1
359.66431	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.0
55.01863	7.8
55.05506	39.1
56.96559	10.7
56.96798	1.8
57.03433	28.2
57.07074	8.0
65.03926	3.8
65.42475	1.7
67.05499	99.0
69.03407	2.5
69.07061	33.2
69.82826	1.4
70.86613	4.8
71.04984	7.2
71.08235	1.6
71.08625	48.6
79.05486	73.9
79.52917	1.9
81.03408	7.4
81.07050	89.4
83.04968	16.1
83.08604	20.2
85.06532	8.9
91.04893	2.0
91.05470	54.2
93.07034	100.0
94.06523	1.5
94.07364	2.2
95.04948	18.2
95.08599	62.6
97.06515	12.4
97.10152	10.2
99.08080	35.4
103.05444	1.9
105.07017	50.9
107.04934	6.7
107.07852	3.3
107.08583	64.3
109.06501	6.6
109.10145	29.9
111.08065	4.7
113.09674	2.3
116.98478	1.8
117.07002	11.5
119.08565	40.9
120.08085	2.0
120.08926	1.8
121.06497	4.3
121.10128	45.2
123.08073	5.8
123.11684	6.5
125.09595	8.1
127.11189	1.9
128.06206	1.7
129.07008	5.3
129.07907	1.6
130.07773	2.3
131.08549	13.5
133.10127	35.4
135.08008	2.9
135.11679	47.0
137.09621	5.6
137.13226	1.8
139.11122	2.1
141.09143	4.2
143.08539	5.4
145.10106	15.8
147.11682	28.5
149.09633	3.1
149.13242	18.7
151.11160	20.8
153.12653	2.6
157.10120	6.1
159.11696	13.1
161.13254	25.7
163.11195	9.9
163.14816	4.9
165.12770	4.6
169.02563	2.5
171.10181	2.1
171.11725	6.7
173.11884	2.5
173.13277	8.5
175.11188	1.9
175.14810	9.1
177.12720	6.8
179.14293	89.7
181.12215	2.8
185.13278	6.8
187.14835	2.2
189.04308	2.2
189.11234	6.2
189.12727	2.3
191.14386	3.3
195.13739	2.2
197.07297	2.9
199.14825	3.3
203.05984	3.3
203.14326	1.9
209.08189	2.2
209.10237	1.6
213.16344	2.5
221.15352	3.4
231.17496	2.5
231.21066	4.8
235.16869	4.7
241.19453	10.2
248.10956	1.8
249.22301	1.7
259.20581	44.9
277.21616	46.3
278.21976	2.0
291.02176	1.7
292.22699	7.7
293.21072	6.4
302.26480	1.7
310.24069	1.8
311.90335	1.6
333.17209	1.8
333.24161	2.1
334.23782	2.7
351.18536	18.7
351.25287	70.4
352.24969	12.9
369.19424	22.7
370.19794	3.6
374.19717	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39345	1.1
53.03938	4.9
55.01873	3.0
55.05259	2.4
55.05506	32.8
56.96552	2.7
57.03433	44.9
57.07069	23.6
58.86448	1.2
59.04982	1.4
65.03919	3.8
67.05499	65.5
68.05832	2.1
69.03393	1.8
69.07059	27.8
71.04972	5.5
71.59480	1.6
74.23231	1.3
75.65507	1.2
79.05486	72.6
81.03346	1.7
81.07048	88.9
83.04970	4.4
83.08611	18.4
83.46574	1.4
85.06533	7.8
91.05473	58.1
93.07034	100.0
95.04954	9.6
95.08594	60.9
97.06521	7.0
97.10149	5.9
99.08080	5.2
102.96342	1.3
105.07017	51.9
106.07356	1.2
107.04963	1.3
107.08585	57.4
108.08987	1.3
109.06526	5.4
109.10149	25.5
111.08078	5.1
112.07601	3.7
115.07534	2.5
117.07001	15.3
119.08571	44.9
121.10131	43.3
123.08062	4.1
123.11723	6.1
125.09618	3.1
129.07047	6.1
130.80826	1.1
131.08554	22.5
133.10114	39.4
134.10445	1.8
135.08054	2.5
135.11673	39.9
137.09621	3.5
137.13213	1.8
139.11142	2.6
143.08566	8.1
145.10097	16.9
147.08101	1.5
147.11670	36.9
149.09630	3.9
149.13232	27.5
151.11220	1.8
157.10144	8.2
159.11703	15.4
161.13255	25.5
163.11166	4.2
163.14812	5.6
165.12753	4.8
169.10069	1.3
170.10838	1.6
171.11705	10.1
173.13239	8.7
175.11252	1.3
175.14796	11.1
177.12746	3.0
177.16385	1.8
179.14389	1.8
185.13246	11.6
187.11159	1.3
187.14755	12.5
189.12726	2.7
197.07249	4.1
197.13301	1.6
199.14772	7.6
201.16347	2.2
203.18015	2.5
205.15950	5.6
213.16435	3.4
217.19347	2.0
221.19016	3.7
231.21124	4.5
235.16899	1.7
241.19470	19.4
247.00795	1.5
259.20547	57.8
260.20963	2.3
273.00842	1.7
277.21591	19.5
291.02106	3.6
293.21133	1.6
329.70267	1.5
333.24280	5.2
351.25317	66.0
352.25494	3.7
369.19574	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	5.4
55.05522	21.7
57.03436	9.8
57.07071	6.8
65.03953	4.2
67.05506	60.1
67.71406	3.5
69.07079	18.9
70.15717	16.6
71.08628	3.6
75.04477	5.1
79.05492	64.8
81.07062	75.3
83.04952	5.4
83.08627	10.7
85.06538	6.9
91.05482	73.4
93.07047	74.3
95.04985	7.6
95.08605	51.4
97.06561	5.2
97.10163	8.3
99.08101	15.0
105.07026	55.0
107.08575	47.4
109.10142	20.1
110.36530	3.4
115.05449	5.8
117.07026	15.4
117.41342	3.3
119.08586	61.0
120.08857	3.8
121.10146	42.9
123.11730	10.9
129.07018	12.5
131.08571	30.4
133.10121	45.1
135.08136	5.7
135.11700	29.9
143.08575	12.9
145.10141	27.9
147.11679	44.8
149.13297	25.1
151.11197	4.4
157.10115	12.1
159.11708	26.8
161.13266	72.1
163.11113	5.0
163.14859	12.4
171.11694	23.9
173.13358	20.0
175.14813	31.9
177.12750	6.9
179.14317	4.9
185.13251	19.1
189.12778	4.6
199.14778	11.9
203.14250	5.9
213.16345	5.7
215.17998	5.1
217.19467	6.2
231.17389	7.8
231.21080	16.6
241.19449	51.6
259.20587	100.0
275.09912	3.9
277.21606	9.7
288.79626	3.9
351.25317	75.6
352.25320	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.2
55.01870	8.8
55.05517	20.9
57.03435	11.3
57.07068	6.5
62.28976	3.0
65.03918	4.9
67.05505	68.2
69.07068	25.1
69.45428	33.9
71.04980	5.4
79.05492	51.7
79.92088	3.8
81.07058	64.2
82.73502	3.6
83.08615	14.0
85.06522	7.7
91.05474	45.6
93.07047	90.1
95.04955	11.2
95.08612	46.2
97.06516	5.3
97.10168	5.6
99.08105	7.7
105.07029	55.6
106.07330	4.5
107.08592	41.6
109.10142	26.0
117.07012	13.5
119.08593	53.4
121.10155	41.5
123.07986	6.7
129.07025	10.2
131.08580	20.0
133.10136	41.4
135.11687	32.5
143.08577	10.3
145.10141	20.8
147.11697	41.8
149.09575	3.9
149.13277	20.5
151.11230	7.6
157.10158	11.7
159.11703	16.1
161.13257	59.0
163.14833	16.1
171.11649	14.6
173.13278	14.7
175.14873	30.4
177.12761	5.4
179.14319	5.2
185.13255	14.2
187.14813	6.8
189.12758	8.8
199.14825	11.0
203.14276	3.5
209.33731	3.8
212.15448	3.4
212.30185	3.6
213.16454	5.4
215.18130	4.1
217.19524	8.4
231.17398	4.4
231.21098	11.1
241.19519	43.2
242.19850	3.5
259.20593	100.0
277.21591	17.1
313.72964	4.1
333.24222	11.3
340.49017	3.9
351.25317	77.3
351.29550	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11591	1.3
53.03950	1.5
55.01877	6.9
55.05510	14.1
56.96559	2.7
57.03442	9.7
57.07073	3.0
63.52697	1.1
64.69428	1.3
67.05175	2.0
67.05505	30.5
69.07071	12.7
69.35132	5.0
69.35558	7.5
71.04995	1.6
71.08609	4.5
71.16524	1.1
79.05492	39.0
81.03389	2.0
81.07055	60.7
83.04970	3.4
83.08614	7.6
85.06540	2.0
91.05482	28.7
93.07049	43.1
95.04942	4.7
95.08608	28.7
97.06549	3.4
97.10172	2.0
99.08082	5.0
105.07035	30.5
107.08589	27.1
109.06516	12.6
109.10133	9.7
111.04430	14.2
111.08067	2.1
117.07012	6.0
117.07737	1.4
119.08582	20.3
121.06473	1.4
121.10139	22.0
123.08058	2.8
123.11731	3.2
125.05986	3.2
128.06270	2.0
129.06978	4.8
130.07791	1.2
131.08543	10.2
133.10121	25.8
134.10486	1.7
135.08029	3.2
135.11688	19.6
137.05972	100.0
137.09581	1.7
137.13289	1.9
138.06273	1.3
143.08531	4.4
145.10130	8.7
146.06093	1.2
147.11676	26.8
149.09625	3.2
149.13252	11.8
151.07527	2.7
151.11159	4.1
157.10129	6.0
159.11676	9.5
161.09625	6.1
161.13260	17.4
163.11145	3.4
163.14838	2.6
165.09145	2.2
171.11687	4.8
173.13206	4.5
175.11180	5.3
175.14876	7.0
177.12772	3.1
179.10709	2.0
179.14287	3.5
185.13252	4.5
189.12790	3.1
199.14821	2.4
203.14279	1.8
203.17938	6.1
213.16353	3.9
221.18973	1.4
231.17468	10.7
231.20934	3.8
241.19504	9.1
249.18503	9.5
259.20563	36.2
260.20862	1.3
277.17953	28.4
277.21509	7.5
278.18515	1.7
295.19022	5.9
333.17368	3.8
333.24164	3.0
340.84512	1.4
351.18198	5.1
351.21570	3.6
351.25244	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	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94770	1.9
53.00311	2.7
53.03936	9.6
53.04170	2.1
55.01872	24.9
55.05267	3.2
55.05511	42.3
57.03440	29.8
57.07060	13.3
59.04982	2.3
65.03925	5.0
67.05506	100.0
68.05843	3.3
69.03426	3.0
69.07072	30.4
69.60136	3.6
69.60543	14.1
71.04967	6.0
71.08632	74.3
79.05492	66.2
80.75867	2.1
81.03407	14.6
81.07058	82.9
83.04982	15.4
83.08619	24.2
85.06540	5.6
85.10199	14.7
87.14922	2.1
91.05482	53.2
93.06481	4.1
93.07045	70.4
95.04979	22.4
95.08605	53.0
97.06504	12.0
97.10155	12.4
99.08094	63.6
105.06396	3.8
105.07028	44.8
106.07295	2.9
107.04961	13.7
107.08593	45.7
109.06506	9.3
109.10149	30.4
111.08080	39.2
113.09628	13.9
115.54316	1.9
117.07014	10.5
119.08572	24.5
121.06525	3.6
121.10149	27.6
123.08014	4.3
123.11701	5.2
125.09621	10.0
129.06990	6.4
131.08589	11.1
133.10135	24.9
134.10548	2.1
135.08069	3.2
135.11719	22.0
137.09639	5.2
137.13214	2.3
139.11191	4.3
141.12740	3.4
143.08578	6.1
145.10107	16.5
147.11728	19.5
149.09633	4.5
149.13306	13.7
151.11180	41.5
151.86322	2.3
153.12721	3.1
157.10129	6.7
159.11673	6.0
161.09637	2.4
161.13266	23.8
163.11179	24.4
163.14838	4.0
165.12737	13.6
167.10678	2.5
171.11676	8.9
173.13210	2.7
175.11208	4.3
175.14815	6.0
177.12744	4.2
179.14305	27.8
185.13240	6.5
189.12698	5.8
199.14740	2.4
210.25014	2.6
221.15314	5.8
231.21086	4.2
235.16832	2.6
241.19440	8.2
243.10667	3.2
249.22131	5.5
257.19073	2.7
259.20587	17.1
275.20142	2.6
277.21619	65.9
278.22031	3.2
281.37503	2.4
282.89697	2.2
292.09665	5.7
295.22641	2.9
323.49963	2.0
351.21283	38.0
351.25253	43.7
352.25665	3.5
374.28207	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.4
53.14634	1.2
55.01869	8.0
55.05510	16.4
57.03436	9.3
57.07073	3.0
65.03930	2.7
67.05175	2.5
67.05505	33.0
69.07069	12.9
69.80341	4.7
69.80749	2.5
71.04985	2.4
71.08635	2.8
75.04461	1.3
79.05496	42.1
81.07059	66.0
83.04980	3.2
83.08618	6.9
85.06564	2.1
91.05483	35.6
93.07048	44.6
94.07384	1.9
95.04979	5.3
95.08606	26.3
96.08172	1.3
97.06535	3.4
97.10168	2.0
99.08090	3.7
105.04529	1.3
105.07034	31.8
107.08595	30.2
109.06519	16.1
109.10144	8.5
111.04441	16.8
111.08091	2.4
117.07024	7.5
119.08583	29.7
121.10143	24.8
123.08096	3.1
123.11681	2.8
125.05987	5.0
129.07021	4.3
131.08572	14.8
133.10146	25.5
135.08063	3.4
135.11688	27.2
137.05981	100.0
137.09610	2.3
137.13283	3.1
138.06361	2.1
142.98003	1.5
143.08546	5.6
145.10106	12.5
147.11687	24.9
149.09651	5.2
149.13281	12.7
151.07529	2.1
151.11189	3.4
157.10138	5.5
159.11710	11.8
159.47372	1.4
161.09613	8.2
161.13263	18.6
163.11150	6.1
163.14838	4.9
165.09192	2.1
171.11676	7.5
173.13281	5.3
175.11241	4.4
175.14796	8.5
177.12709	2.2
179.14366	2.5
181.12195	1.4
185.13297	6.5
187.14841	2.2
189.12715	1.9
199.14810	5.6
203.14294	1.3
203.17999	5.6
213.16347	4.0
217.19533	1.6
221.19060	2.3
231.17487	10.4
231.21140	5.4
241.19525	15.3
249.18513	8.8
250.18834	1.4
259.20584	40.4
277.18018	30.5
277.21606	8.9
295.18988	6.7
333.20435	2.4
333.24240	4.4
347.60492	1.3
351.12595	2.9
351.21405	51.9
351.25366	21.7
352.21735	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.5
54.97442	1.2
55.01850	1.5
55.05503	14.5
56.00159	1.3
57.03441	6.3
57.07054	3.7
65.03907	2.4
67.05500	39.1
69.07063	13.9
69.99581	6.8
71.04977	2.7
75.04462	2.2
79.05486	57.1
81.07050	55.1
83.04970	1.3
83.08621	6.4
85.06535	5.2
91.05475	44.5
93.07033	81.6
95.04954	5.3
95.08596	40.2
97.06507	4.2
97.10172	3.6
99.08100	4.2
105.07023	52.2
105.34299	1.2
106.07386	1.8
107.08585	47.3
109.06503	2.7
109.10131	14.7
113.09631	2.4
115.05547	1.8
117.07001	10.3
119.08567	46.4
121.06480	1.2
121.10133	40.9
123.11672	4.6
125.09601	1.6
129.06990	5.9
131.08569	22.8
133.10117	47.9
135.08075	1.5
135.11682	42.0
143.08540	8.4
144.09441	1.3
145.10114	22.5
147.11676	45.7
149.09631	3.6
149.13239	26.1
151.11102	1.9
157.10133	11.2
159.11670	17.6
161.13229	37.5
163.11189	3.2
163.14798	9.9
171.11673	11.0
171.72322	1.3
173.13258	11.7
175.11227	2.6
175.14813	16.3
177.12749	2.6
185.13277	11.9
187.14839	3.5
189.12773	2.7
189.16400	1.8
199.14751	8.8
201.16457	1.4
203.14362	2.9
213.16379	5.1
215.17990	3.5
217.19499	3.9
231.17435	4.4
231.21089	8.3
241.19482	36.5
259.20560	100.0
260.20966	5.2
277.21606	14.4
315.22952	1.6
333.24170	9.0
351.21704	2.5
351.25281	67.6
352.25461	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.3
55.01859	9.2
55.05506	22.0
57.03437	13.2
57.07058	5.5
65.03925	3.1
67.05499	50.1
69.03412	2.3
69.07063	23.2
70.04073	18.6
70.85020	5.3
71.04961	2.9
71.08620	2.2
73.06555	1.7
79.05482	70.3
81.07047	83.8
83.04982	2.3
83.08619	9.5
83.52615	1.8
85.06520	3.5
87.60426	1.7
91.05470	53.7
93.07031	96.8
95.04958	8.5
95.08591	44.4
97.06528	6.2
97.10162	4.0
98.72477	1.6
99.08075	5.2
105.07013	55.3
107.08585	54.9
109.06490	13.8
109.10143	18.8
110.07156	3.4
111.04428	13.2
111.08085	2.0
111.74818	1.9
117.07014	12.2
119.08566	57.1
121.06506	2.5
121.10124	38.5
123.11671	4.9
125.05956	3.8
129.06981	7.9
131.08545	23.2
133.09102	2.5
133.10117	47.7
135.08109	4.3
135.11684	44.0
137.05960	100.0
137.09607	4.4
137.13284	2.8
138.06317	2.0
143.08557	12.0
145.10101	26.6
147.11667	54.2
149.09637	6.3
149.13235	28.5
151.07524	2.4
151.11218	3.9
157.10078	11.3
158.97641	3.2
159.11661	21.3
161.09615	6.5
161.13239	41.9
163.11160	7.6
163.14807	9.6
165.09122	2.7
165.12602	2.0
167.10605	2.4
169.00529	3.3
171.11702	13.0
173.13252	9.4
175.11179	6.6
175.14804	16.9
177.12772	4.6
177.16348	2.1
179.10629	2.0
185.13197	12.9
187.14856	4.8
189.12747	5.3
189.16414	2.5
199.06967	1.8
199.14822	5.1
203.17989	8.2
213.16409	5.4
215.17963	2.8
217.19501	6.0
231.17409	13.7
231.20999	8.6
241.19489	38.2
249.18431	7.9
259.20541	94.5
260.20883	4.1
275.20020	2.7
277.17957	32.6
277.21548	13.3
278.18207	2.3
295.10287	2.0
295.19135	6.4
332.01273	1.8
333.24088	9.6
351.21249	23.1
351.25247	56.9
352.14532	2.3
352.21341	2.8
352.25177	5.8
352.29391	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13175	0.7
53.03945	2.7
54.38422	0.8
55.01866	1.8
55.05505	16.2
57.03432	5.6
57.07064	6.0
65.03934	1.8
67.05502	44.9
68.34451	0.9
69.07065	19.9
69.41634	0.8
69.41935	8.7
70.04059	0.9
71.04987	2.6
71.08627	2.8
75.04480	2.4
77.03924	1.3
79.00652	0.9
79.05487	57.9
80.05834	1.6
81.07050	50.0
82.21545	0.8
83.04977	2.1
83.08601	7.2
85.06535	4.6
91.05471	56.5
91.62309	0.8
93.07034	74.5
94.07378	1.0
95.04965	9.6
95.08598	34.0
97.06531	3.7
97.10173	2.5
99.08083	5.1
103.05446	0.8
105.07023	64.7
107.08583	44.3
109.06532	3.5
109.10143	11.1
111.08102	2.1
113.09634	2.4
115.07578	2.2
117.07009	14.9
119.08569	60.1
120.08916	1.1
121.06515	1.1
121.10129	32.4
123.08087	1.5
123.11721	2.2
128.06232	1.8
129.07021	9.1
130.07785	1.4
131.08554	22.3
133.10118	53.8
134.10585	1.2
135.08107	2.6
135.11681	31.6
137.05997	2.4
137.09599	2.4
142.07808	1.3
143.08531	12.5
145.10118	27.9
147.07997	1.1
147.11673	48.3
149.09613	2.1
149.13251	22.0
151.11159	1.2
157.10117	11.8
158.97690	1.0
159.11682	19.6
161.09656	2.0
161.13243	43.4
162.13628	1.0
163.11145	4.7
163.14828	7.0
165.12814	1.4
169.10178	1.2
171.11664	15.1
173.13246	12.1
175.11270	3.1
175.14803	22.0
177.12733	4.5
177.16451	1.6
185.13264	15.2
187.14871	3.9
189.12715	4.4
189.16328	1.3
191.14281	1.0
193.15919	1.1
197.07320	3.8
199.14772	9.9
203.14311	2.2
213.16420	4.1
215.18016	2.4
217.19560	2.6
220.26910	0.9
231.17520	2.6
231.21025	9.5
241.19495	36.1
242.19940	1.5
247.14722	1.0
259.20547	100.0
260.20984	3.3
277.18481	1.5
277.21603	5.6
287.50836	1.0
292.22876	1.3
351.12430	1.4
351.21640	4.7
351.25372	52.3
352.25522	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	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39111	1.4
51.02382	1.3
51.70511	1.4
51.92830	1.2
53.03927	2.3
55.01860	2.8
55.05509	21.1
57.03437	7.4
57.07061	3.7
65.03932	2.0
67.05500	45.9
69.07066	18.0
69.41909	13.0
71.04971	3.7
75.04476	1.9
79.05486	68.7
81.07051	63.0
83.04950	2.0
83.08617	10.0
83.71921	1.4
85.06525	4.5
88.66630	1.6
91.04890	1.6
91.05474	56.4
93.07037	86.3
94.07372	1.6
95.04955	5.3
95.08598	43.2
97.06509	3.7
97.10178	2.0
99.08093	4.4
105.07024	60.6
106.07364	1.5
107.08582	56.4
109.06522	3.1
109.10155	17.0
111.08088	2.9
111.62278	1.4
117.07000	13.2
119.08572	57.9
121.10136	46.2
123.11672	2.9
125.09666	1.8
127.11185	1.5
128.06195	2.7
129.05487	1.9
129.06990	6.5
131.08577	21.3
133.10112	49.6
135.08102	3.4
135.11684	44.8
137.09636	1.7
143.08545	10.1
145.10112	23.6
145.38908	1.5
147.08078	2.0
147.11673	53.3
149.09630	3.2
149.13240	29.4
151.11148	2.7
152.61063	1.6
157.10110	10.1
159.11674	20.1
161.09634	2.8
161.13246	44.9
163.11125	2.8
163.14821	9.7
171.11671	13.0
173.13252	11.4
175.11232	2.8
175.14818	21.6
177.12730	4.1
179.14290	1.3
185.13260	15.8
187.14751	3.6
189.12721	3.0
199.14807	9.2
203.14287	3.5
207.13910	2.1
213.16434	6.1
215.17935	2.9
217.15950	1.8
217.19550	5.2
231.17397	3.8
231.21075	10.0
235.16876	1.6
241.19493	37.4
259.20557	100.0
260.20926	3.3
277.21515	15.2
304.58078	1.4
333.24167	12.8
351.21689	2.7
351.25290	69.0
352.25409	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.1
55.01867	6.1
55.05510	33.4
57.03435	15.2
57.07082	5.3
67.05508	100.0
67.05875	6.2
68.73832	3.7
69.03426	3.9
69.07076	24.5
70.50282	11.7
71.04990	4.9
71.08630	44.2
76.56181	3.3
79.05494	72.2
81.03417	10.5
81.07059	83.6
83.04983	9.4
83.08632	20.2
85.06547	6.1
91.05484	66.9
93.07051	79.8
95.04978	18.0
95.08611	41.0
97.06540	7.9
97.10178	11.2
99.08089	40.6
105.07030	51.4
107.04974	8.2
107.08598	46.6
109.06532	5.7
109.10162	27.5
113.09637	4.4
117.07021	13.2
119.08579	39.9
121.10165	33.0
123.08044	4.7
123.11714	3.5
125.09618	8.0
129.07027	6.5
131.08549	16.0
133.10139	37.6
135.11693	31.6
137.09602	6.0
143.08549	9.0
143.43686	3.6
145.10100	19.6
147.11681	34.4
149.13269	21.5
151.11189	25.1
157.10172	9.2
159.11693	12.3
161.13274	36.5
163.11191	10.9
163.14864	7.4
171.11711	14.3
173.13300	12.6
175.14851	13.2
179.14352	25.5
185.13266	9.8
189.12767	3.8
197.21173	3.8
199.14899	6.7
208.54851	3.3
231.21199	3.9
241.19441	22.9
249.22263	3.7
259.20587	56.7
277.21661	37.7
333.16098	4.3
351.17657	7.0
351.21463	12.3
351.25296	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2317
Annotation	2-Geranyl-3,5-dihydroxybibenzyl
Peak:m/z	Relative Intensity
53.03934	8.7
55.01855	6.2
55.05500	14.3
57.03433	6.6
57.07063	7.4
59.04989	3.2
67.05200	3.4
67.05502	33.7
69.07070	19.8
71.04987	4.7
71.08620	5.4
71.59723	5.1
79.05470	27.9
81.07058	39.3
83.08603	8.3
86.03564	9.1
87.04455	4.3
91.05465	37.9
93.07047	46.5
95.04970	13.4
95.08605	43.5
97.06547	7.3
99.08083	4.8
105.07017	51.1
107.08581	43.9
109.06489	7.8
109.10165	26.2
111.04436	5.0
111.08054	11.7
115.05449	4.3
117.07004	10.4
119.08578	58.6
121.06437	6.2
121.09309	5.5
121.10143	56.3
123.08056	6.1
123.11711	11.6
128.06248	4.1
129.06981	11.6
130.07773	4.7
130.97316	3.0
131.08569	31.9
133.10112	35.0
135.08046	5.6
135.11699	22.5
137.05991	17.3
141.07047	5.3
142.07759	8.6
143.08566	26.0
145.10118	47.2
147.11668	22.6
149.09596	6.1
149.13263	6.4
155.08582	5.9
156.09309	10.0
157.10094	27.3
159.08031	4.3
159.11714	28.0
161.13272	15.8
163.11194	4.0
167.08574	5.5
168.09387	6.0
169.10123	14.6
170.10901	6.9
171.11670	22.5
173.13249	18.1
175.14850	9.4
177.12756	4.7
179.14288	5.9
180.09375	5.1
181.10106	12.7
183.11661	16.8
185.13245	14.6
186.14014	4.6
187.11240	4.4
187.14827	24.5
193.10190	7.9
194.11011	4.2
195.11688	17.8
197.13239	14.9
199.14854	11.8
201.12773	4.4
201.16454	3.8
203.32634	3.7
207.11714	5.8
209.13232	22.4
210.14177	4.0
211.11215	10.7
211.14771	12.3
213.16414	5.5
221.13199	5.5
223.14775	6.3
225.16403	10.0
227.14323	5.9
229.12231	10.9
231.11664	4.1
235.14790	8.2
237.16336	9.7
239.17915	6.2
240.18600	4.1
241.19400	6.8
251.17970	4.5
252.18642	7.9
259.20590	19.1
265.19678	8.5
277.21719	7.9
293.19012	5.1
295.16977	6.1
305.22849	5.8
309.22034	4.9
333.22113	19.2
351.23004	100.0
352.23645	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	351.2317
Annotation	3,5-Dihydroxy-4-(3',7'-dimethylocta-2',7'-dienyl)bibenzyl
Peak:m/z	Relative Intensity
50.35546	2.7
51.55400	3.1
53.03936	3.4
55.01858	5.2
55.05507	12.7
57.07071	17.0
67.05496	29.9
69.07059	47.2
70.07415	5.9
70.07838	3.3
71.33312	5.9
71.81735	3.0
79.05484	26.4
81.03391	3.3
81.07050	29.8
83.08604	6.4
86.81170	3.6
91.01813	3.1
91.05476	25.4
93.07038	34.2
95.04927	14.8
95.08610	32.1
97.06516	7.5
97.10152	3.4
105.07019	50.0
107.04933	4.9
107.08593	34.1
109.06490	6.9
109.10162	26.7
111.04440	3.4
111.08051	15.1
115.07559	4.6
117.07023	11.5
118.00048	2.8
119.08576	51.8
119.42411	3.5
121.06516	3.3
121.10146	56.7
123.08098	5.7
123.11681	7.9
128.06201	5.0
129.06990	11.1
130.07797	2.9
131.08551	31.6
133.10120	36.1
135.08046	7.5
135.11673	14.6
137.05991	23.3
139.07463	5.3
142.01309	3.5
142.07785	5.7
143.08543	19.8
145.10118	40.7
147.11620	15.5
149.09622	3.9
153.07002	3.6
154.07860	3.3
155.08560	11.8
156.09325	8.3
157.10121	30.5
158.10854	5.0
159.08031	6.6
159.11678	26.6
161.13272	9.8
163.11124	8.8
165.07150	3.2
167.08528	5.6
168.09296	8.3
169.10149	13.5
170.10841	8.4
171.11693	18.7
173.13298	19.7
175.14832	9.9
179.08484	4.6
181.10088	9.0
182.10878	6.4
183.11688	19.4
184.12349	3.0
185.09587	4.1
185.13284	12.5
187.11171	6.5
187.14827	21.9
193.10182	6.3
194.10834	4.9
195.11690	13.6
196.08852	3.2
196.12415	5.5
197.13298	14.2
199.06952	5.3
199.14786	7.3
207.11714	7.9
209.13232	20.4
211.11186	11.6
211.14781	16.4
213.12808	3.5
213.16389	5.3
219.11693	4.3
221.13243	5.4
223.05190	4.2
225.12656	5.2
225.16397	7.3
229.12262	11.8
235.14818	5.2
237.16377	8.7
239.17940	6.2
251.18031	4.3
252.18716	7.7
259.20477	4.8
265.19489	10.6
277.15659	3.0
295.16937	5.4
305.22607	5.3
308.21542	5.8
333.22040	11.8
351.13257	11.7
351.23001	100.0
352.12195	8.7
352.23465	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	351.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22909	1.4
53.03947	1.8
54.46673	1.1
55.01866	11.5
55.05506	9.3
56.96559	2.5
57.03430	6.9
62.63290	1.1
67.05504	24.3
69.07071	9.3
69.66631	6.5
71.04980	1.2
71.08623	4.1
79.05490	23.4
81.03409	1.4
81.07056	42.8
83.04987	4.2
83.08620	5.2
84.97291	1.1
91.05476	17.7
93.07043	27.2
95.04963	2.3
95.08604	19.0
96.43541	1.1
97.06538	1.6
97.10166	2.0
99.08091	3.3
105.07040	17.2
107.08589	16.9
109.06516	11.7
109.10168	6.2
111.04448	13.3
111.08082	1.6
116.44241	1.1
117.07024	4.0
119.08567	17.4
121.10141	15.0
123.08092	2.0
123.11717	2.0
125.05981	3.5
129.06982	1.7
130.16687	1.1
131.08524	6.2
133.10144	14.2
133.34442	1.1
135.08086	2.4
135.11678	16.2
137.05974	100.0
137.13234	2.7
143.08545	2.9
145.10110	5.2
147.07991	1.9
147.11696	17.0
149.09615	2.8
149.13255	7.7
151.07576	2.8
151.11186	2.3
157.10110	2.4
159.11708	5.1
161.09615	5.3
161.13264	10.6
163.11174	4.7
163.14853	2.0
165.12813	1.2
167.92101	1.3
171.11705	3.9
173.13245	3.6
175.11206	5.0
175.14824	4.6
177.12762	1.7
179.10789	1.6
179.14287	3.0
185.13272	4.1
193.07834	1.2
199.14909	1.7
203.17984	6.3
207.75572	1.3
213.16376	3.7
221.18987	2.8
223.14915	1.5
231.17476	9.7
241.19510	6.8
249.18539	10.2
259.20557	17.9
277.17999	29.6
277.21548	6.0
295.19000	6.9
333.17471	3.5
333.24133	1.7
351.18277	3.7
351.21637	5.1
351.25308	14.1
369.19025	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22909	1.4
53.03947	1.8
54.46673	1.1
55.01866	11.5
55.05506	9.3
56.96559	2.5
57.03430	6.9
62.63290	1.1
67.05504	24.3
69.07071	9.3
69.66631	6.5
71.04980	1.2
71.08623	4.1
79.05490	23.4
81.03409	1.4
81.07056	42.8
83.04987	4.2
83.08620	5.2
84.97291	1.1
91.05476	17.7
93.07043	27.2
95.04963	2.3
95.08604	19.0
96.43541	1.1
97.06538	1.6
97.10166	2.0
99.08091	3.3
105.07040	17.2
107.08589	16.9
109.06516	11.7
109.10168	6.2
111.04448	13.3
111.08082	1.6
116.44241	1.1
117.07024	4.0
119.08567	17.4
121.10141	15.0
123.08092	2.0
123.11717	2.0
125.05981	3.5
129.06982	1.7
130.16687	1.1
131.08524	6.2
133.10144	14.2
133.34442	1.1
135.08086	2.4
135.11678	16.2
137.05974	100.0
137.13234	2.7
143.08545	2.9
145.10110	5.2
147.07991	1.9
147.11696	17.0
149.09615	2.8
149.13255	7.7
151.07576	2.8
151.11186	2.3
157.10110	2.4
159.11708	5.1
161.09615	5.3
161.13264	10.6
163.11174	4.7
163.14853	2.0
165.12813	1.2
167.92101	1.3
171.11705	3.9
173.13245	3.6
175.11206	5.0
175.14824	4.6
177.12762	1.7
179.10789	1.6
179.14287	3.0
185.13272	4.1
193.07834	1.2
199.14909	1.7
203.17984	6.3
207.75572	1.3
213.16376	3.7
221.18987	2.8
223.14915	1.5
231.17476	9.7
241.19510	6.8
249.18539	10.2
259.20557	17.9
277.17999	29.6
277.21548	6.0
295.19000	6.9
333.17471	3.5
333.24133	1.7
351.18277	3.7
351.21637	5.1
351.25308	14.1
369.19025	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.214
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
53.03944	1.0
55.01878	1.6
55.05506	5.1
56.96555	2.2
57.03438	2.7
57.07075	0.9
57.35002	0.8
67.05504	10.5
68.05830	0.8
69.07056	3.4
71.08643	6.0
71.59363	1.3
79.05495	6.2
80.05815	1.0
81.07054	7.3
82.06508	0.9
83.08624	2.5
91.05481	6.8
93.07053	7.1
95.04967	2.2
95.08624	5.5
97.06442	1.0
97.46464	0.9
99.08116	4.3
105.07038	4.1
107.08574	5.7
108.08952	1.2
109.06513	1.1
109.10172	2.5
111.08099	1.5
112.82295	0.9
117.07024	1.9
119.08590	2.3
121.10150	2.6
123.11723	1.1
129.06993	1.0
131.08572	1.7
133.10133	2.7
135.11726	1.6
145.10120	3.5
146.72032	1.0
147.11676	2.7
151.11229	1.8
159.11729	1.8
161.13275	1.7
163.11211	1.9
171.11758	1.7
179.14336	1.0
185.13199	0.9
190.11760	0.9
241.11128	2.1
241.19473	1.3
253.11151	3.2
259.12280	2.8
259.20502	2.0
271.11938	5.2
274.41599	0.8
277.21375	2.9
333.19525	1.7
351.21399	100.0
351.24521	4.9
352.21573	2.5
369.19980	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33383	0.5
55.05501	0.6
56.66156	0.5
57.03414	0.7
59.91565	0.5
63.16460	0.5
67.05492	1.8
67.71259	0.5
69.07066	0.9
71.43684	0.9
79.05494	2.6
81.07056	2.6
81.66071	0.6
82.07358	0.5
83.97385	0.5
89.40404	0.5
91.05467	1.7
93.07053	2.7
95.04946	0.8
95.08591	0.9
105.07013	2.4
107.08617	1.2
109.10170	1.0
117.06986	1.1
119.08573	1.5
121.10129	0.9
131.08557	0.8
133.10114	0.8
135.11679	1.0
145.10057	0.8
147.11710	0.8
149.13258	0.9
151.47661	0.6
236.59714	0.6
255.08980	0.6
257.12424	1.1
259.20609	1.5
277.21503	1.5
281.13644	0.9
300.96097	0.6
333.20129	2.4
348.16437	0.5
351.21408	100.0
352.21722	2.7
369.20975	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.214
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
67.05490	1.4
71.04593	1.6
84.85970	0.9
93.07041	0.9
95.08553	1.0
95.52160	0.8
100.39387	0.8
105.07124	0.9
107.08603	0.9
116.41375	0.7
119.08584	1.1
137.05962	1.2
149.13173	1.2
189.51329	0.8
256.88284	0.8
276.34802	0.8
351.21411	100.0
352.21646	2.1
356.66064	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2135
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
50.83944	0.6
52.62574	0.6
55.01866	0.7
55.05501	2.5
56.96547	1.6
57.03429	1.3
57.07060	0.6
67.05501	5.0
69.07063	2.4
71.04441	1.4
71.04790	0.6
71.04972	0.6
74.79820	0.7
77.00891	0.6
79.05510	3.1
80.05006	0.8
81.07050	3.8
83.08587	0.9
83.85485	0.7
91.05473	2.5
93.07035	3.5
95.04987	1.1
95.08593	2.8
99.08057	1.4
105.07012	2.5
107.08587	2.2
109.10121	1.8
119.08580	2.2
121.06525	0.9
121.10136	2.5
131.08569	0.8
133.10152	2.8
135.11687	2.1
141.32225	0.6
142.97998	0.7
145.10114	1.0
147.11659	1.0
156.09387	0.8
159.11664	0.9
161.13242	1.2
171.11642	0.8
176.98502	0.9
179.14270	0.8
199.14789	0.7
239.11308	1.0
257.12305	1.8
259.20557	2.0
275.19913	1.2
277.21725	1.6
292.22632	1.9
351.12360	2.3
351.21390	100.0
351.66531	0.6
352.21747	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2137
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
58.15855	0.6
58.44023	0.5
60.89178	0.5
64.97871	0.5
69.88013	3.6
81.07051	0.6
93.12818	0.7
103.07323	0.8
122.97062	0.6
125.81846	0.6
135.72328	0.6
141.49727	0.6
156.84425	0.7
181.35710	0.7
201.20996	0.6
225.64603	0.8
265.89297	0.7
333.19818	0.9
351.21381	100.0
352.21552	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76385	0.6
54.29617	0.6
55.01867	1.4
55.05487	1.9
56.05019	2.8
56.96562	1.1
57.07072	16.0
64.99827	0.6
66.37929	0.6
67.05499	5.6
69.03420	0.7
69.07059	1.2
70.06604	3.4
70.12954	3.1
72.08138	1.7
73.02917	0.7
74.06069	2.4
79.05478	2.8
81.03390	1.2
81.07044	2.7
83.04965	0.9
83.06069	0.7
83.08604	1.4
84.04528	1.4
84.08129	2.1
85.02888	1.3
86.09706	1.1
91.05480	2.0
93.07028	1.8
95.04960	1.6
95.08598	1.2
98.06028	0.9
102.05509	2.0
105.07031	2.2
107.04975	4.3
107.08546	0.9
107.95074	0.6
109.10193	3.4
111.04397	0.8
117.07008	1.1
119.08528	1.6
120.08103	1.3
121.06518	0.8
123.08122	0.8
126.12789	1.5
127.11218	5.6
129.10266	0.7
131.08562	1.1
133.06458	1.5
147.04401	1.5
152.14343	23.0
166.57016	0.6
182.15405	32.6
184.07278	1.3
228.15944	100.0
229.16295	1.8
263.13031	0.8
287.18100	0.7
305.19501	3.0
307.15338	3.9
333.13214	0.8
351.13647	0.8
351.19205	2.4
351.23843	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01862	2.2
55.05500	2.9
56.05027	1.0
56.96554	1.1
57.03436	0.7
57.07072	18.6
61.02921	0.8
65.03933	3.2
67.05500	5.5
69.03411	1.4
69.07062	2.9
70.04057	0.6
70.06583	1.4
71.00191	1.1
71.04994	0.9
72.93797	0.6
79.05482	5.2
81.03403	2.3
81.07061	5.8
83.04970	0.8
83.06091	2.2
83.08587	1.1
84.04499	22.8
84.08135	1.1
85.02885	2.5
85.06544	0.8
85.10183	3.8
88.04003	0.7
91.05469	4.2
91.07303	0.7
93.07037	3.7
95.04942	2.0
95.08610	3.9
97.02875	1.2
97.06492	0.7
97.10159	1.3
98.06055	4.6
98.97549	0.6
99.04424	0.7
99.08074	0.9
102.05524	1.1
102.12811	50.0
103.05464	1.3
105.07044	4.0
107.04955	3.0
107.08602	1.7
108.08091	0.8
109.02875	1.2
109.06527	1.2
109.10132	1.5
111.04432	3.0
115.05462	0.9
117.07033	2.0
119.04905	1.0
119.08588	2.5
121.02862	100.0
121.03873	3.0
121.10151	1.5
122.03178	0.9
123.04430	2.2
127.03929	0.7
128.19810	0.6
129.06995	1.1
130.05009	7.6
131.04904	1.5
131.08566	1.1
133.06505	1.6
133.10139	2.0
135.04413	1.4
137.05942	1.2
137.09622	0.9
141.06981	1.1
143.04912	0.8
143.08533	1.3
145.06514	1.9
145.10141	1.7
147.04390	1.3
149.05943	1.4
155.08517	1.2
157.06462	1.0
157.10179	0.8
159.11719	0.7
161.05983	2.7
163.03932	0.9
163.07404	0.9
165.07024	1.1
167.15439	8.0
168.13834	21.2
169.10081	0.7
170.96632	1.2
173.05975	2.7
175.03914	0.9
175.07578	1.8
181.00534	1.3
181.06491	0.7
183.08162	0.7
185.16479	23.4
187.07529	2.4
189.05461	2.2
189.09120	0.8
201.09076	0.9
213.15976	20.1
214.14384	25.0
214.16071	1.0
215.06339	2.1
215.14494	0.8
221.04424	1.5
231.17029	34.6
233.11745	0.7
241.12411	0.9
251.10748	0.8
253.02811	0.9
259.13159	1.1
269.11786	2.0
287.12799	1.6
305.13693	0.9
305.18692	1.5
315.12286	2.7
315.16003	2.8
333.13351	14.3
333.17432	3.5
351.09897	3.7
351.13907	1.4
351.18845	3.4
351.22794	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
55.01856	1.6
55.05254	0.5
55.05504	5.2
56.96558	22.4
57.03434	3.8
57.07059	0.9
59.04992	0.3
62.73913	0.3
65.03918	0.9
67.05496	14.5
69.03407	0.5
69.07063	5.5
69.93101	2.2
70.04060	1.2
71.04964	0.8
71.08622	4.5
71.95260	2.6
72.96016	0.5
74.97590	1.1
79.05046	0.6
79.05486	8.5
79.86783	0.3
81.03364	0.6
81.06569	0.7
81.07047	13.7
83.04959	1.3
83.08613	2.8
84.96016	1.1
85.06524	0.8
89.50412	0.3
91.05466	7.2
92.05789	0.3
92.98629	0.4
93.07034	12.0
95.04969	1.7
95.08595	8.8
95.47395	0.3
97.06518	1.4
97.10145	1.4
97.96804	1.2
98.97562	1.7
99.08074	2.8
100.99135	0.4
103.00710	0.9
105.07012	6.8
107.04958	0.8
107.08580	7.3
109.06523	1.0
109.10145	3.3
110.97562	1.5
111.08085	1.2
111.11751	0.5
115.00679	1.5
115.97826	0.6
116.98592	1.1
117.07031	1.7
119.08563	6.5
121.01719	0.8
121.10120	4.3
123.01186	0.7
123.08029	0.5
123.11710	1.6
125.09600	0.5
128.98595	3.4
129.07008	0.7
131.00124	0.3
131.08551	1.7
133.01697	1.5
133.10104	4.7
133.98853	0.5
134.99649	1.3
135.11699	3.4
137.02736	0.8
137.09610	0.8
137.13240	0.5
141.02231	0.7
143.00175	0.6
143.08528	1.0
145.01685	0.4
145.10127	2.0
146.99640	3.9
147.03178	0.5
147.11668	4.1
149.09557	0.7
149.13216	2.7
151.02795	0.4
151.11179	2.5
153.02188	0.5
155.03772	1.3
157.01755	0.4
157.10100	1.2
159.03300	1.1
159.11652	1.9
159.37158	0.4
161.01208	1.1
161.04883	0.5
161.13235	3.4
163.11154	1.0
163.14827	0.8
165.00719	0.7
165.12762	1.0
169.01685	0.7
169.05307	1.1
171.03267	1.9
171.11661	1.4
173.04828	0.9
173.13222	1.2
175.02751	1.0
175.11192	0.5
175.14835	1.6
177.12711	0.4
179.02191	0.5
179.03731	0.5
179.14236	1.7
181.05345	1.0
183.03281	0.7
185.04857	1.6
185.13254	1.3
187.02727	0.6
187.06424	0.8
187.14787	0.6
189.04318	3.2
189.12758	0.6
193.03792	0.6
195.06902	0.7
197.04852	1.5
197.08569	0.5
198.05571	1.0
199.02713	1.1
199.06384	10.2
199.08252	0.5
199.14705	0.6
201.04356	0.8
201.07930	0.7
203.05869	2.9
205.05377	0.4
205.07277	0.4
207.05270	0.5
211.06398	0.9
213.04343	0.9
213.07971	2.3
215.05907	0.9
215.09378	0.6
216.06760	0.7
217.07458	17.9
219.08969	0.4
221.06995	0.4
222.08014	0.6
223.06429	4.1
223.10077	0.5
225.04253	1.3
226.15573	0.4
227.09418	0.4
229.07494	2.4
231.05530	0.4
231.09077	1.9
231.17305	0.4
231.21065	1.0
239.05794	1.0
239.09459	0.7
240.08971	1.2
241.07433	20.8
241.11008	3.8
241.19536	1.9
242.07814	0.4
243.09033	1.0
247.08540	1.9
249.22107	0.9
251.61378	0.4
257.06955	0.5
257.10489	0.6
259.08505	33.6
259.12088	6.4
259.20554	4.4
260.08881	1.0
261.09995	0.4
263.09525	0.6
264.09048	1.5
264.42966	0.4
267.09058	0.7
271.08820	0.4
277.09561	6.8
277.21634	5.5
281.10605	1.4
282.09991	2.8
285.09811	0.5
299.11581	2.7
299.36136	0.4
300.11404	0.4
313.81808	0.3
315.16342	1.1
317.12573	0.5
333.17307	13.2
351.18353	100.0
351.24780	11.2
352.18777	4.1
369.19489	14.0
370.19479	0.4
374.19876	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82475	0.9
55.01862	3.2
55.05510	26.9
56.05027	3.9
56.96566	22.4
58.99576	2.9
60.04504	1.4
62.69921	0.9
69.03436	0.9
69.07067	2.0
70.06593	22.0
71.06929	1.9
71.57082	1.9
71.95248	2.7
72.04517	1.2
72.08152	7.4
73.02892	1.0
76.02224	1.3
77.76866	0.9
79.05477	4.5
80.05017	1.0
81.07055	2.4
83.08617	52.0
84.04503	26.4
84.08149	11.0
84.96033	1.1
85.02882	1.7
85.04826	1.3
86.06078	5.8
86.09700	13.5
86.99046	2.0
87.02680	1.7
87.05567	1.4
88.03972	1.3
89.00596	1.1
91.05473	2.1
95.04955	3.0
97.96758	1.7
98.06035	1.6
98.97582	65.8
101.09652	9.0
102.05495	1.6
103.05476	3.6
105.00092	27.0
105.07033	35.1
106.07363	1.4
107.04964	8.4
109.06435	1.0
109.94778	1.1
110.07143	3.6
110.97582	2.5
113.05972	1.7
114.03761	1.0
115.02145	2.9
115.05418	1.4
115.08672	1.9
115.97810	2.8
116.07077	1.1
116.98615	63.9
120.08119	5.8
121.06496	0.9
124.07632	1.0
125.07137	1.3
126.05519	4.1
128.98584	3.5
129.10229	5.0
130.04991	4.8
130.06500	1.1
130.08609	1.0
132.04781	6.6
133.03188	41.4
133.06487	100.0
133.98889	1.2
134.06819	3.8
134.99655	47.6
136.07648	1.4
140.00240	1.6
142.03226	4.4
142.08609	2.6
143.11852	1.0
145.06508	2.0
146.99599	3.9
147.08113	1.1
150.05804	4.2
153.00677	5.2
158.01288	2.0
158.99606	3.8
159.06342	1.3
159.08382	2.8
170.99623	2.3
174.05856	1.7
174.09076	1.4
175.08832	1.4
176.08957	1.8
177.00728	5.0
184.07335	2.9
185.07518	1.0
187.07799	1.9
188.03792	1.3
195.01863	1.0
203.05199	1.5
203.08589	1.1
204.08598	1.3
205.08910	27.3
221.09535	38.5
222.09528	3.4
222.11588	7.7
225.04335	1.3
231.03275	16.1
232.03537	1.3
237.02789	1.3
249.04343	49.4
250.04622	3.3
267.05411	6.7
272.05963	3.8
273.33212	1.2
291.05579	1.8
333.14734	14.1
351.10437	10.3
351.15695	3.3
352.14221	1.3
369.08463	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69112	1.6
58.62251	1.8
61.66785	1.5
69.90155	9.6
69.90566	2.9
98.97630	1.8
119.01897	3.2
131.01884	2.0
133.03490	2.1
145.03427	5.3
173.02991	6.3
201.05905	2.2
207.02847	2.2
221.05154	2.6
231.02881	3.0
238.71471	1.8
251.50027	1.8
272.07684	1.9
279.08704	1.8
291.09290	2.7
309.10205	2.1
333.06720	2.6
351.06833	100.0
351.10504	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	351.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.05520	0.8
55.71231	0.6
56.05040	2.6
56.74727	0.6
67.05492	2.0
70.06592	5.4
71.59025	0.8
72.08120	1.2
72.93798	0.8
74.06075	0.8
79.05487	3.2
81.03437	0.9
81.07041	1.4
82.06575	1.2
84.04503	2.4
84.08138	100.0
85.02911	0.7
86.09702	2.0
87.02688	1.1
91.05474	4.5
93.07031	3.7
95.04956	1.3
95.08604	2.2
97.01085	0.6
97.02889	1.0
98.97585	0.9
99.02674	1.3
101.07102	0.7
102.96808	1.2
103.96664	0.6
104.98296	5.2
105.07013	0.7
107.04961	4.4
110.06017	1.3
110.07185	1.7
112.07611	1.0
119.04932	2.7
120.08106	2.8
121.06515	4.6
123.08079	0.8
125.04190	4.0
127.08748	0.6
128.07080	1.3
129.10222	1.9
130.08633	5.8
132.95839	1.3
134.99684	0.6
136.07568	1.2
138.09109	1.1
139.07484	0.7
142.99878	0.8
144.95930	0.8
145.01390	0.6
145.02776	2.0
147.04427	5.9
147.11234	1.8
150.09167	1.0
150.96886	0.9
153.03708	1.2
157.06810	0.6
158.97411	1.2
159.02977	3.8
159.04263	1.0
159.07771	0.7
166.99892	0.8
174.96832	0.8
176.10620	0.8
176.98425	0.7
177.04060	1.1
177.05482	2.6
177.43857	0.6
186.96764	0.9
187.02457	10.1
192.13747	1.5
192.96394	2.2
193.08630	1.1
194.99545	1.9
204.13794	1.0
205.03502	7.1
206.15381	1.1
216.97903	0.6
223.10751	0.7
234.99002	8.4
253.00125	1.8
269.18469	1.2
270.09802	29.2
287.12411	1.6
288.10849	7.9
292.99533	4.4
333.13004	29.1
351.00235	1.0
351.10394	2.8
351.14047	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93504	1.3
56.94302	1.8
62.80646	0.4
68.57166	0.4
69.03413	0.8
70.06569	1.6
70.95855	2.7
71.34614	0.5
71.34962	0.8
71.92983	0.4
72.93777	6.8
74.95332	1.0
81.03405	0.7
84.04469	0.3
84.08162	0.7
85.02890	0.7
86.87059	0.3
86.95338	0.4
88.96882	1.6
90.94823	6.1
91.05439	0.4
97.02853	1.0
102.94819	0.8
104.96338	1.4
107.04942	1.2
108.95844	1.2
114.94769	0.7
114.98421	1.6
116.96322	1.1
118.94315	0.8
123.00169	0.4
126.94813	0.4
128.96309	1.1
130.97878	1.1
132.95825	18.3
132.99437	0.7
134.97380	1.5
136.95282	1.0
139.36069	0.4
140.96315	0.9
144.95805	5.3
145.02844	1.3
146.97350	1.4
148.98933	1.0
150.96869	7.9
156.95822	0.8
158.97380	17.4
160.98940	2.6
162.96884	4.7
163.00507	0.4
166.97871	0.7
168.95795	2.9
170.97369	0.5
172.98894	0.7
174.96875	17.5
176.98428	9.8
177.05428	1.4
179.00038	1.8
184.98950	1.0
186.96873	5.7
187.00514	1.1
188.98430	1.5
190.96385	1.0
192.97899	1.3
198.96822	1.9
199.00519	0.7
202.99931	2.4
204.97968	2.4
205.01613	1.0
214.99989	1.9
216.97916	11.8
217.01228	0.4
226.96321	0.8
227.00105	0.9
230.99496	1.4
234.98967	100.0
235.99240	1.5
239.00003	2.1
249.00584	1.5
253.00023	18.2
258.00595	3.2
273.00497	1.1
275.02109	7.6
286.86011	0.4
289.03720	0.5
291.01489	0.5
292.99503	26.9
293.99820	0.5
297.94128	0.4
305.03134	11.7
309.04807	0.4
323.04144	1.3
334.01868	0.5
351.03683	2.7
351.10645	1.9
351.16376	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0683
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	12.8
69.03438	3.1
69.09967	2.8
69.49143	2.8
70.06573	4.5
71.59638	3.8
72.08112	4.6
73.02905	3.0
84.08159	3.5
84.95998	5.5
85.02927	3.3
86.06081	3.7
97.02900	3.3
98.97563	27.4
101.00867	9.3
107.04948	14.3
116.98630	16.5
119.01897	29.9
121.01656	10.5
127.02368	3.3
128.67731	3.0
128.98582	10.4
131.01891	16.3
133.01613	4.1
133.03476	10.3
134.99648	5.0
137.02963	4.0
143.00104	5.0
143.01857	6.4
145.03568	15.5
146.01210	3.3
146.99651	8.0
147.05016	6.5
155.01897	11.8
156.98195	3.3
157.03491	11.0
158.99626	4.1
161.01176	3.7
161.02946	13.3
163.04486	5.6
170.99648	6.8
173.02930	26.6
174.99110	7.4
175.04549	6.0
177.00824	6.7
185.02969	9.3
189.00629	10.9
189.06088	3.9
191.03935	3.9
193.00249	15.7
201.00772	4.2
201.06046	4.5
203.04024	8.7
207.02867	5.0
215.04022	3.8
217.00111	11.0
219.01711	6.5
219.03563	9.0
221.03217	4.9
221.05086	4.4
231.03304	5.0
231.07220	3.5
235.06601	13.5
237.02774	14.4
245.11353	4.5
249.02621	7.7
251.04332	42.9
253.07704	16.4
261.08212	5.0
269.05368	18.7
289.07703	11.6
291.09286	13.9
293.07123	13.7
333.06439	12.0
351.06686	100.0
352.02893	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85351	0.7
55.05508	4.1
56.05032	1.0
57.07070	1.1
58.06596	2.7
67.05497	3.7
68.05022	1.7
69.03417	1.1
69.07065	1.8
70.06590	83.0
70.36525	1.7
70.36926	1.5
72.08152	44.0
73.61054	0.8
79.05489	2.7
81.03403	2.5
81.07031	4.0
82.06577	2.6
83.04997	1.2
83.08607	2.4
84.08128	8.2
85.02911	1.0
86.06080	2.2
86.09716	2.2
87.04465	2.0
91.05483	1.8
93.07030	2.3
94.06557	12.8
94.07114	1.3
95.04978	1.9
95.08611	3.1
96.08125	15.5
97.06464	1.1
97.10179	1.2
99.04478	1.0
105.07001	1.3
106.06557	2.9
107.04987	4.2
107.07354	1.8
107.08553	1.8
108.08115	27.3
108.08867	1.4
109.10112	0.9
110.07152	0.8
110.09673	39.9
112.11243	1.9
115.04118	0.9
118.06532	1.5
119.07306	1.5
119.08576	1.0
120.08103	14.3
121.06515	0.9
121.08852	1.6
122.02731	1.3
122.09662	12.3
123.11681	0.9
124.07596	0.9
124.11243	0.7
127.12317	21.9
130.06526	1.8
132.08116	4.8
133.08852	2.1
134.09628	6.0
137.59181	0.7
146.09642	0.8
148.11232	1.2
174.05475	1.1
190.15884	1.7
193.12282	1.9
194.04340	0.9
204.08643	1.3
206.15375	4.7
211.13319	6.1
212.16443	10.2
218.15367	8.1
220.16934	1.1
222.03990	0.7
224.07976	0.8
224.16434	17.9
236.16432	15.5
236.18784	0.9
238.17999	53.2
239.18471	1.0
244.16953	3.4
246.18605	2.8
250.15483	0.9
262.18011	34.7
263.20923	0.9
264.19608	10.6
279.20578	3.0
281.22223	100.0
282.22534	1.2
304.00342	0.9
332.20432	1.1
333.25320	6.2
350.12427	2.5
350.19638	2.3
350.27979	35.4
351.28296	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2686
Annotation	Neovasipyridone A
Peak:m/z	Relative Intensity
55.05510	24.0
56.05051	5.8
57.07076	9.5
58.02945	15.4
58.06609	9.2
62.67451	4.4
67.05495	43.1
69.07071	48.4
70.06577	24.5
70.84902	17.8
71.08632	45.1
72.08144	6.5
79.05484	43.4
81.07048	54.5
82.06574	14.8
83.08613	16.0
84.04490	7.2
84.08145	33.3
86.09708	7.9
88.10754	9.0
88.11262	100.0
91.05473	26.1
93.07029	41.4
94.06567	45.5
95.04932	9.3
95.08592	43.6
96.08124	16.9
97.10168	11.7
105.07033	17.3
107.08572	24.0
109.06475	5.7
109.10167	11.9
110.09628	10.1
112.07571	8.5
114.09173	9.1
119.08573	14.4
120.08104	7.5
121.10155	22.1
123.08028	6.3
124.11233	16.3
125.09627	4.9
129.81561	5.9
131.08574	6.9
133.10197	12.1
134.09630	5.6
135.11673	7.4
136.11230	9.7
147.11711	7.2
152.10681	6.9
156.13869	10.3
164.14354	11.7
170.15416	9.0
173.13290	5.7
212.16475	23.3
220.16922	8.3
236.07121	5.1
238.18147	5.2
252.19606	18.8
266.24905	6.3
280.19257	7.3
292.22699	16.8
332.25937	9.6
350.27078	86.9
350.34070	77.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04676	0.2
53.03945	0.7
55.01883	0.6
55.05504	1.4
56.05046	0.4
56.05860	0.3
56.57795	0.2
56.96566	0.3
57.03432	0.3
58.06606	0.5
67.05521	0.4
69.03428	0.8
69.07082	0.4
70.06586	8.4
70.55384	0.7
70.55735	0.4
72.08151	4.5
73.02898	0.3
77.03934	0.3
79.05492	1.8
80.05026	0.3
81.03411	0.8
81.07047	0.5
82.03794	0.3
82.06567	0.5
83.04992	0.3
83.08632	0.6
84.08135	0.9
85.02917	0.4
86.06067	0.7
86.09711	1.2
87.04459	1.4
89.06010	0.8
91.05486	1.1
93.06535	0.2
93.07037	1.4
94.06567	1.5
95.04966	1.9
95.06072	0.6
95.08609	0.4
96.08117	1.8
98.06055	0.6
99.04473	0.3
100.07592	0.3
100.11249	3.1
101.11586	0.7
103.05457	0.6
105.07011	0.6
106.06560	0.3
107.04945	100.0
108.05277	2.0
108.08108	3.0
109.10210	0.3
110.07182	0.3
110.09675	3.3
111.04439	0.4
112.11313	0.3
116.98626	0.3
119.04874	0.3
119.08608	0.4
120.08101	1.7
121.06492	34.8
122.06848	0.9
122.09653	1.1
127.03933	0.3
127.12307	2.2
128.07111	0.4
131.08569	0.3
132.08107	0.6
133.08688	0.3
134.09648	1.0
136.07538	0.4
138.02225	0.5
138.09125	25.7
139.09474	0.5
145.10156	0.3
146.09633	0.3
147.11661	0.5
148.11206	0.8
158.11731	0.7
162.12694	0.3
178.08589	0.7
182.15451	0.6
185.56761	0.2
190.13426	0.5
190.15874	0.3
191.08099	0.7
192.08440	1.0
206.15356	0.5
209.16505	0.3
210.14897	0.7
212.16414	0.7
218.15390	0.7
220.16946	1.3
224.16394	1.6
227.17508	0.4
227.67642	0.5
236.16428	1.0
238.18007	4.6
242.11685	0.3
244.13345	11.1
245.13574	0.5
262.18024	2.9
264.19540	1.1
267.09109	0.3
272.10938	0.4
276.72809	0.3
277.22894	1.1
281.22223	9.3
285.74454	0.3
304.13678	0.4
306.21262	0.7
314.12027	0.3
324.61786	0.3
332.12982	0.5
332.21051	0.3
333.25085	0.4
343.30429	0.5
344.30756	0.6
350.16452	1.3
350.19431	1.6
350.23343	0.8
350.27798	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1344
Annotation	MITOMYCIN B
Peak:m/z	Relative Intensity
53.03928	0.8
55.01858	1.4
57.03428	2.7
59.04990	0.3
59.10094	0.3
61.02921	1.8
69.03423	8.1
69.99335	0.2
70.06573	0.9
70.84818	0.4
70.85173	0.5
71.01348	0.6
71.04982	2.6
72.08144	0.4
73.02898	1.1
79.05463	0.3
81.03410	1.5
81.07022	0.4
87.04457	0.5
91.05458	0.9
97.02875	0.7
98.06037	0.7
99.04443	2.4
102.40206	0.2
105.07003	0.5
107.04949	0.4
117.05580	0.4
118.06534	4.3
120.08068	0.8
127.12263	0.3
130.06554	0.3
131.06012	0.3
132.06819	0.3
132.08060	1.3
134.09634	0.3
145.07594	15.8
146.08310	0.9
147.09154	21.0
148.09489	0.4
157.07620	0.6
158.11739	1.1
159.09160	9.8
160.09935	1.6
161.10728	1.1
170.08340	0.3
171.09114	0.5
173.07100	1.0
173.10735	1.1
175.08682	1.5
184.09967	0.8
185.10707	3.5
186.11447	0.5
187.08630	0.9
187.12251	0.7
189.10211	1.1
191.08133	100.0
192.08517	1.8
197.10716	1.5
199.08746	0.8
199.12234	1.5
200.09525	0.3
201.10234	0.9
213.10201	1.9
215.11786	1.6
216.05568	0.6
216.07658	11.8
219.11215	0.5
225.10237	1.1
231.11264	0.6
233.09180	0.7
233.12859	0.5
238.17966	0.3
243.11301	0.4
245.09143	0.5
245.12903	0.4
262.18112	0.3
263.13864	7.8
271.10754	0.8
281.22232	0.6
288.19525	0.4
289.11792	3.9
304.18912	0.5
307.12845	59.0
308.13174	1.2
332.20886	0.4
350.13425	52.9
351.13562	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94067	0.9
53.03942	1.0
55.01863	1.4
56.96546	1.0
69.03434	1.1
69.07064	0.9
70.04056	1.0
70.06580	5.0
70.20743	2.3
72.08144	1.5
72.93783	1.7
73.02912	1.5
74.00652	1.1
75.41462	0.7
79.05481	1.4
84.04490	1.4
84.08121	2.3
85.02910	1.5
86.09724	0.7
88.03983	1.3
92.01688	3.1
95.04956	1.4
97.02876	1.1
98.06064	0.9
98.21441	0.9
98.97589	2.2
102.98531	1.1
107.04948	100.0
108.05292	1.8
110.07172	1.2
116.98615	1.8
119.04915	1.5
120.01160	4.3
120.08057	0.9
120.99551	14.1
128.98552	0.8
129.10219	0.8
132.95850	2.4
134.99591	0.8
136.07605	0.9
138.02191	55.0
145.02829	1.1
146.99640	1.2
147.04424	3.2
148.04752	0.7
149.97278	0.9
150.96895	1.3
152.05351	1.1
158.97394	1.9
159.04510	0.7
162.80215	0.7
167.00076	0.8
174.96846	1.0
176.98477	1.0
177.05490	1.9
186.97000	0.8
194.99461	0.8
216.97980	2.0
226.05377	1.7
234.98969	9.1
237.02791	1.9
244.06354	4.1
253.00130	1.5
292.99518	4.6
293.09042	1.8
350.00977	1.9
350.09119	1.6
351.09650	1.1
368.01865	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2737
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05523	7.8
57.03438	3.2
67.05502	8.8
69.07076	11.4
71.04976	1.5
71.36555	2.3
79.05471	5.8
81.07059	13.5
83.08605	4.0
91.05479	4.1
93.07023	8.0
95.08613	11.8
97.06545	2.5
105.07021	6.5
107.08574	6.7
109.06507	11.6
109.10147	4.5
111.08064	1.7
115.11115	1.4
117.07001	1.6
119.08578	5.4
121.10146	3.6
123.08069	74.9
123.11655	2.7
124.08459	2.0
131.08607	3.2
133.10126	4.9
135.08070	7.3
135.11684	3.2
137.09573	5.8
145.10156	1.9
147.11667	3.1
149.09694	1.7
159.11711	2.4
175.14859	2.3
175.76192	1.6
177.32150	1.7
179.14302	5.9
221.37312	1.5
228.95491	1.5
232.39725	1.5
257.19031	2.0
275.20087	3.3
293.21164	18.6
331.06824	1.5
331.26382	2.9
349.27380	100.0
350.27740	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	350.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
53.86653	0.6
55.05514	3.8
55.05733	0.7
56.96553	2.2
57.03416	1.1
57.24189	0.8
57.98802	0.8
58.01043	0.5
58.06577	0.6
58.66164	0.5
58.99582	11.9
61.02939	1.0
65.03925	4.0
67.05498	2.4
69.03417	1.2
69.07062	1.0
69.43371	4.5
69.76736	0.5
70.06586	16.9
70.65160	0.6
71.04981	1.2
72.08153	8.8
73.02908	1.1
76.02223	19.9
79.05489	3.1
81.03429	3.6
81.07066	2.6
82.03716	0.7
82.06566	1.4
83.04982	1.5
83.08609	2.1
84.04472	0.6
84.08113	2.7
84.11990	0.6
85.02887	1.1
85.06568	0.5
86.09708	3.1
86.99047	7.7
87.04457	3.6
89.05992	0.6
91.05474	100.0
92.05810	1.6
93.07044	2.0
94.06541	2.7
95.04991	3.5
95.06055	1.5
95.08583	1.0
96.08119	3.6
97.02918	1.1
97.06515	0.8
98.06088	1.0
98.09696	0.6
98.20792	1.2
98.97578	2.6
100.11263	4.5
101.02339	0.6
101.11614	0.9
103.05453	0.8
105.00083	10.5
105.07042	1.5
106.06574	1.0
107.04947	55.0
107.08611	0.8
108.08112	5.2
108.39680	0.6
109.06508	0.5
109.10202	0.8
110.07182	0.8
110.09672	6.9
111.04414	1.5
116.07099	0.6
116.98619	2.1
119.08591	1.2
120.08099	5.3
121.02872	1.3
121.06498	18.7
122.02719	49.1
122.06823	0.6
122.09655	2.0
123.04395	0.9
127.12323	3.4
129.10136	0.6
131.00084	0.9
131.08580	0.9
132.08104	1.1
134.09671	1.5
134.99681	1.1
136.07549	0.8
138.09129	13.5
138.10184	0.8
140.10634	0.8
147.04364	1.1
147.09128	0.8
149.01219	2.5
152.05698	1.2
156.03581	0.9
157.10146	0.8
158.11792	1.7
158.99660	0.8
161.01299	0.6
167.02246	1.0
177.00723	1.5
182.15451	0.9
187.07948	0.9
191.08183	1.1
193.12206	1.4
195.04761	0.8
210.14929	2.0
211.13306	2.0
211.15157	0.7
212.16545	0.7
218.15440	1.8
219.01678	0.9
224.16357	2.8
227.17719	0.7
227.67863	0.7
228.05809	0.6
228.56032	0.7
236.04791	0.5
236.16508	2.4
238.18002	8.7
243.08881	1.6
243.59027	3.1
244.13264	7.5
244.15268	0.6
246.18767	0.7
259.13358	1.1
259.60321	1.3
262.17981	5.6
264.16077	0.6
264.19626	1.6
267.08939	0.9
268.10687	0.7
268.60861	2.4
276.19547	0.8
276.72794	0.6
277.23044	1.3
279.20163	0.8
281.22238	19.9
290.12103	1.3
291.15869	0.6
293.05728	0.7
304.19214	0.8
307.14835	2.4
324.61661	10.4
325.11807	2.5
332.93515	1.2
333.25238	1.2
343.30814	1.2
344.31281	0.9
350.19467	3.4
350.23294	4.0
350.28058	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	349.2735
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
51.10943	0.3
55.05510	4.1
57.03417	0.5
57.07089	1.6
67.05503	4.1
69.07065	9.4
70.39339	0.3
71.04977	1.5
71.08620	0.7
73.06566	0.3
77.41540	0.3
79.05489	3.1
81.07047	7.3
83.04968	0.8
83.08614	3.1
85.06537	0.7
91.05470	1.5
93.07056	4.5
95.04956	0.6
95.08599	6.6
97.06548	1.7
97.10155	0.8
99.08141	0.3
104.45354	0.3
105.07015	2.7
107.08585	4.0
109.06509	9.6
109.10140	3.1
111.08067	1.8
117.07029	0.4
119.08556	3.2
121.06498	0.8
121.10134	3.5
122.07278	1.0
123.08060	58.7
123.11659	1.9
124.08431	0.5
125.09686	0.6
131.08534	1.0
133.10112	3.1
135.08041	4.3
135.11705	1.9
137.09610	3.5
137.13260	0.5
145.10097	1.0
147.11652	2.0
149.09598	0.7
149.13261	1.9
151.11166	0.6
159.11691	1.1
161.13269	1.1
163.11159	0.5
165.12701	0.5
167.14247	0.6
173.13231	0.4
175.14861	0.6
177.12727	0.5
177.16370	0.4
179.14299	13.6
181.91713	0.4
187.14716	0.4
193.15907	0.6
233.19026	0.6
275.20108	1.6
281.21021	0.6
289.25110	0.8
293.21085	17.3
303.26727	0.5
307.22644	0.7
331.26309	3.8
349.27350	100.0
350.27597	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	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
50.30470	0.5
55.01876	0.7
55.05519	4.2
57.03442	0.8
57.07076	2.7
67.05508	6.0
69.07069	9.4
70.83470	1.6
71.04997	1.7
71.08635	1.5
79.05499	4.2
81.07063	10.7
83.04987	1.1
83.08638	3.4
85.06534	1.0
91.05473	2.6
93.07056	5.3
95.08614	8.0
97.06522	1.6
97.10201	0.8
99.08083	1.3
99.48327	0.7
104.93799	0.5
105.06419	0.5
105.07030	3.3
107.08603	5.5
109.06525	15.3
109.10154	2.6
111.08076	1.8
119.08588	4.0
121.10156	4.0
122.07286	1.1
123.08075	64.7
123.11689	1.9
124.08412	0.8
131.08582	1.0
133.10146	3.1
135.08049	5.0
135.11699	2.2
137.09630	3.0
137.13239	0.9
145.10141	1.5
147.11664	1.3
149.09642	1.0
149.13245	1.4
152.99678	0.6
159.11707	1.8
161.13280	1.7
163.60527	0.5
165.12804	0.9
167.14247	0.6
177.12709	0.9
177.43425	0.7
179.14320	42.8
180.14626	0.7
193.15878	1.0
205.63144	0.5
233.19054	0.7
263.20197	0.9
275.20105	1.3
289.25275	1.2
293.21130	15.9
303.26938	1.0
307.22617	1.3
331.26288	4.5
349.27393	100.0
350.27795	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	349.2734
Annotation	17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one
Peak:m/z	Relative Intensity
50.49466	0.6
53.03936	1.1
55.01860	2.3
55.05290	0.8
55.05507	7.7
56.96566	1.8
57.03424	2.6
57.07071	7.9
67.05501	14.7
67.96766	0.8
69.03412	1.2
69.07067	14.5
69.30912	2.5
69.31334	5.6
70.04063	0.9
71.04949	1.1
77.57413	0.7
79.02228	0.8
79.05486	11.3
81.03420	1.3
81.07050	19.3
83.04968	3.6
83.08611	3.7
85.06534	1.9
91.05474	10.2
93.07030	15.4
95.04955	2.8
95.08601	18.5
97.06530	2.5
97.10164	1.7
98.21558	1.4
105.07017	14.6
107.04964	1.2
107.08588	21.4
109.06525	4.9
109.10143	7.2
111.08096	1.2
117.07018	2.5
119.08570	16.7
121.06504	2.4
121.10131	13.8
123.08052	12.5
123.11706	2.2
125.09598	1.4
128.41295	0.7
129.06953	0.7
131.08575	5.9
133.10124	11.1
135.08052	7.9
135.11691	6.3
136.08783	1.7
137.09602	4.9
137.13231	2.4
140.68848	0.7
143.08481	0.8
145.10112	6.0
147.11676	5.6
149.09596	6.5
149.13239	2.7
151.11151	1.7
157.10146	1.1
159.11691	3.9
161.13249	5.2
163.11214	2.2
163.14841	4.5
165.12704	3.6
167.14238	0.9
169.10129	0.9
171.11784	1.8
173.11917	0.8
173.13237	4.1
175.11205	0.9
175.14827	2.8
177.12764	2.3
179.06036	0.7
179.14313	10.8
187.14854	0.9
191.14323	6.6
193.94215	0.8
194.93375	4.4
205.15895	0.8
218.53937	0.7
219.17609	0.9
229.19472	1.1
233.19269	0.8
247.20396	0.8
257.19009	1.7
275.20035	6.8
277.18875	0.9
285.25809	2.1
293.20969	1.0
300.45386	0.8
303.26794	25.7
303.30301	1.3
331.26297	100.0
332.03043	1.1
332.23074	1.0
332.26758	2.8
349.16809	1.8
349.23575	5.7
349.27365	8.9
350.23560	1.4
367.18018	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.2
55.05510	22.3
57.03432	6.9
57.07047	5.2
66.64243	3.3
67.05499	45.2
69.03418	6.0
69.07063	31.8
69.83295	12.5
69.83710	7.4
71.04987	8.8
79.05487	39.5
81.07053	64.7
83.04976	4.7
83.08617	9.3
91.05478	53.5
93.07042	79.5
95.04977	29.7
95.08594	48.4
97.06515	9.6
98.20800	5.7
103.05481	4.5
105.07024	100.0
106.85814	3.1
107.08584	63.2
109.06516	15.5
109.10146	44.9
111.08068	5.1
115.05399	4.2
117.06988	20.7
119.08572	96.1
121.06493	7.5
121.10136	79.3
123.08065	19.4
123.11680	9.9
128.06239	11.0
129.07025	20.0
130.07794	8.5
131.08545	57.7
133.10127	62.4
135.08035	10.8
135.11714	19.5
135.12624	3.4
137.09692	4.2
141.06970	4.8
142.07750	18.2
143.08548	31.7
144.09325	8.2
145.10110	53.0
147.08049	8.7
147.11705	20.4
149.09610	7.9
149.13324	3.5
155.08548	13.3
156.09366	9.5
157.10127	39.7
158.10825	5.9
159.07976	4.7
159.11694	24.1
161.09598	20.8
161.13280	11.9
163.11182	3.6
167.08592	9.9
168.09477	5.2
169.10136	22.8
170.10948	4.1
171.11679	21.1
173.09648	4.3
173.13258	23.0
175.14850	9.4
179.08562	13.4
179.14311	16.7
181.10110	15.7
182.10854	7.7
183.11696	17.0
185.13237	19.2
187.10970	3.9
187.14807	20.1
189.12715	4.5
194.10909	11.3
195.11743	14.6
197.13280	14.3
199.11252	4.8
199.14830	14.5
201.12924	3.5
201.16383	5.9
206.11053	3.5
207.11678	5.3
209.13268	19.6
211.14818	11.7
213.12668	5.1
221.13182	6.5
223.14833	8.6
225.16284	8.1
227.14278	7.2
235.14816	4.6
237.16533	3.5
239.17984	13.2
241.16039	4.2
251.18068	5.0
253.19444	6.0
255.17525	3.6
257.19064	6.8
265.19580	5.6
275.20105	13.9
305.09872	8.6
349.24545	45.6
350.26523	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	349.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67165	2.6
52.26305	2.3
53.03937	4.0
55.01881	2.5
55.05504	20.7
57.03424	5.5
57.07064	6.8
64.24371	2.5
65.03939	5.1
67.05502	39.0
69.03398	3.8
69.07062	20.3
70.72742	7.0
71.04996	4.9
77.03930	2.7
79.05488	35.7
81.07052	47.7
83.04977	3.8
83.08608	7.1
89.06100	2.2
90.69878	2.3
91.05473	59.8
93.07043	69.5
95.04947	29.2
95.08607	51.7
96.15563	2.1
97.06509	9.1
97.10172	2.6
103.05445	4.2
105.07022	100.0
106.37441	2.6
107.04919	4.0
107.08595	62.6
109.06525	12.4
109.10140	40.0
111.08101	2.8
115.05458	4.9
116.06233	2.8
117.06993	23.3
119.08578	91.5
121.06497	9.7
121.10137	85.2
123.08085	19.9
123.11703	18.0
128.06227	8.8
129.06982	16.9
130.07799	8.4
131.08562	50.0
133.06494	2.6
133.07593	2.9
133.10118	47.6
135.08022	14.0
135.11670	17.3
137.09578	3.1
141.06966	5.4
142.07770	17.9
143.08551	36.7
144.09344	8.0
145.06493	3.1
145.10112	51.2
146.07246	2.8
147.08012	7.0
147.11684	18.1
149.09599	8.4
149.13214	2.8
153.06972	3.5
154.07784	2.8
155.08536	17.0
156.09343	11.6
157.10110	45.8
158.10899	5.8
159.08087	3.6
159.11676	28.3
161.09569	18.1
161.13203	13.8
165.07146	2.8
166.07776	3.7
167.08609	5.1
168.09325	4.6
169.10095	19.4
170.10907	4.4
171.11691	19.2
172.12234	3.3
173.09642	6.8
173.13251	19.1
175.11255	3.3
175.14816	9.6
179.08572	9.9
179.14294	12.2
180.09338	4.2
181.10112	11.2
182.10922	6.5
183.11671	17.9
184.12485	4.3
185.09679	3.2
185.13283	15.8
187.14813	21.1
189.12837	3.8
193.10136	5.6
194.10962	6.7
195.11682	15.7
196.12503	4.7
197.13234	15.9
198.13972	2.8
199.14868	9.0
201.16362	2.6
207.11740	3.5
208.12383	3.8
209.13234	22.9
210.14110	3.9
211.14839	10.7
213.12668	4.3
213.16417	7.3
221.13223	3.6
223.14815	8.3
225.16367	6.9
227.14262	11.8
233.13266	3.3
235.14862	3.0
237.16321	6.2
239.14368	3.5
239.17964	8.5
247.14708	2.8
251.18040	6.5
253.19524	4.0
255.17505	3.1
261.16345	3.1
265.19501	6.0
266.20163	3.3
267.21146	4.1
275.17603	2.5
275.20224	3.8
293.18942	6.0
321.25748	3.6
330.30252	3.0
331.23907	5.6
348.85324	2.7
349.24997	58.3
350.25644	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	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.2
55.01860	5.4
55.05513	22.7
57.03435	71.5
60.35966	3.3
61.02911	4.2
65.03934	5.9
67.05510	57.8
67.80025	3.1
69.07066	20.9
69.28215	37.6
71.04962	3.9
72.08150	4.1
73.02931	4.6
75.00578	3.0
76.81364	3.2
79.05063	5.7
79.05495	79.6
81.07056	66.8
83.04947	3.8
83.08625	13.3
85.06536	14.4
91.05476	85.6
93.07043	73.5
95.04967	9.2
95.08603	41.3
97.02897	7.0
97.06521	6.3
97.10178	6.3
98.20721	6.7
99.04447	5.3
105.07026	62.3
107.04939	4.9
107.08591	32.4
109.06519	26.1
109.10154	19.3
111.08059	5.0
116.91093	3.5
117.07022	27.7
119.08572	63.0
121.10167	24.7
123.08054	9.1
129.07001	8.1
131.08569	37.5
133.03448	8.2
133.10132	31.2
135.08035	6.6
135.11693	10.9
137.09642	4.1
143.08582	14.5
145.10091	28.7
147.11720	23.1
149.09584	8.7
149.13225	3.8
153.12885	4.2
155.08572	4.3
157.10153	7.7
159.11688	26.2
161.02974	5.0
161.09683	4.0
161.13266	9.1
163.11198	4.8
171.11743	3.8
173.13254	12.8
185.13231	18.1
197.13193	4.4
201.16359	6.7
203.14304	10.6
206.34013	3.3
219.17439	100.0
220.17641	4.5
220.74345	3.4
229.19519	3.7
229.70682	3.3
239.17947	9.5
257.19031	23.5
275.20078	36.2
277.17758	3.9
301.20102	8.2
349.23633	38.9
363.83847	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	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.3
54.48666	1.5
55.01871	16.9
55.05508	51.3
56.96543	2.8
57.03431	20.6
57.07067	3.8
57.26365	1.5
57.35617	1.5
57.93552	1.7
64.86905	1.5
65.03921	2.5
67.05500	66.9
69.03406	4.6
69.06490	1.8
69.07062	37.3
70.06573	1.5
71.04988	5.5
71.60346	1.9
71.60780	2.3
77.48512	1.6
79.05485	100.0
80.05806	1.8
81.03406	10.7
81.06570	3.3
81.07049	61.0
83.04978	24.0
83.08613	14.6
85.06532	3.0
91.05472	60.8
93.07037	66.5
94.07372	2.4
95.01307	5.7
95.04954	21.2
95.08597	38.6
97.06525	21.5
97.10156	15.6
99.28367	1.7
103.05413	2.8
105.04436	1.5
105.07015	54.2
105.44934	1.4
106.07292	2.2
107.04281	3.4
107.04947	33.8
107.08582	60.6
109.06510	8.7
109.10148	19.1
109.58094	1.5
111.08066	4.3
115.05453	2.9
116.98447	4.7
117.07011	21.0
119.08570	36.5
121.06483	5.4
121.10132	26.3
123.08086	8.2
123.11718	3.8
125.09618	18.1
128.98433	2.8
129.06981	4.4
131.00049	11.4
131.08548	24.6
133.10121	32.5
135.08025	11.3
135.11688	11.2
137.09624	3.2
138.12769	2.5
139.07477	2.3
140.98425	16.0
141.07007	2.1
143.00002	11.6
143.08557	3.2
145.01566	2.0
145.06435	2.1
145.10118	21.2
146.99530	3.3
147.08104	3.9
147.11673	19.2
149.01102	2.9
149.09602	48.0
149.13246	5.1
153.99199	2.8
155.00002	3.9
157.01553	3.3
157.10129	3.9
158.99655	2.0
159.11694	16.5
161.01041	3.0
161.09641	2.8
161.13260	7.0
163.00380	2.3
163.11160	6.4
163.14807	4.1
166.99994	4.6
167.03615	2.3
169.01634	3.1
169.10144	5.3
169.12303	3.2
171.03264	2.0
171.11671	3.7
173.11769	4.3
173.13274	8.5
174.98981	20.3
175.11159	2.1
177.12770	5.2
179.03719	1.9
179.14285	11.4
181.01627	3.6
183.03185	2.9
183.11632	2.4
185.01001	7.6
187.11179	3.1
187.14806	2.1
189.00539	20.2
189.11160	7.8
189.12695	1.8
191.03786	1.8
195.03151	2.1
197.13322	2.6
199.02660	6.9
201.00575	5.7
201.12859	2.3
203.02072	10.9
205.12288	2.7
208.13310	2.1
209.01047	1.9
209.04941	2.2
209.15396	4.5
211.02477	2.7
215.02176	3.4
219.06686	2.0
223.13249	4.8
225.04228	2.5
227.05724	2.7
229.19528	5.3
239.05814	2.6
247.20602	3.2
253.07144	3.8
257.18787	9.7
273.18475	6.0
275.20050	48.6
276.20502	4.8
290.21143	2.9
291.19543	6.5
295.12158	3.0
308.22162	4.3
309.50885	1.7
321.13834	1.9
331.15729	1.9
349.13089	83.4
349.16724	6.3
349.19965	2.3
349.23618	36.8
349.27213	2.9
350.13449	9.5
350.23196	21.1
367.14465	4.8
372.18579	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49611	1.6
53.03942	3.6
55.01857	5.8
55.05513	11.2
55.63597	1.8
56.96567	68.5
57.03433	22.9
62.91911	2.0
67.05506	30.5
67.85900	1.9
69.07072	34.3
69.94876	10.7
71.95264	4.0
72.96035	2.1
73.50179	1.8
74.97582	2.2
79.05492	31.0
81.07057	32.5
83.04992	3.1
83.08617	6.8
84.96041	2.3
85.06537	5.7
87.16377	1.7
91.05481	43.1
93.07045	38.5
95.04968	9.4
95.08604	20.2
97.06527	5.4
98.20858	2.3
105.07028	44.5
107.04954	6.7
107.08595	24.0
109.06530	12.3
109.10156	8.7
110.97601	4.2
115.05476	2.8
117.07017	20.7
119.08574	29.2
121.06503	5.1
121.10153	11.4
123.01199	2.4
123.08069	9.9
123.11707	2.5
123.34661	2.0
128.98616	11.9
129.06978	6.3
131.08572	25.9
133.10118	24.1
135.08069	4.7
135.11714	4.4
137.02701	2.9
140.98506	3.0
141.07024	3.1
142.07777	2.3
143.08539	7.3
145.10150	26.6
146.99648	13.4
147.08054	3.5
147.11694	18.1
149.09607	7.5
149.13257	2.9
151.11069	2.5
155.03847	2.4
155.08633	1.9
157.10159	5.8
159.11697	22.4
161.01192	2.9
161.09604	4.6
161.13258	7.5
163.11168	5.0
165.00760	3.2
169.10141	3.4
171.03207	2.3
171.11821	3.4
173.04944	4.1
173.09584	2.4
173.13251	9.5
175.11232	3.2
175.14899	3.1
177.12772	3.6
177.65599	1.9
179.14282	7.3
183.03333	2.4
183.06909	1.9
183.11597	3.2
185.04919	2.7
185.13246	10.6
187.06453	2.5
189.04385	5.4
197.13264	3.0
199.06406	12.1
201.16319	2.3
203.05960	7.2
203.14287	6.4
205.07394	3.2
207.06982	2.0
211.06488	4.0
213.07991	2.6
213.16321	2.5
215.05608	1.7
215.17839	2.9
217.07495	18.7
219.13882	2.4
219.17413	9.0
223.02863	2.3
223.06516	2.7
223.08577	6.0
225.07964	5.5
227.05959	2.0
229.07484	10.1
229.19556	2.4
231.08963	3.5
237.04408	3.1
237.08031	5.7
239.09746	2.1
239.18053	8.9
243.09055	6.1
247.08548	8.0
253.11072	5.6
255.09070	30.4
256.09470	1.9
257.19006	23.6
261.10083	3.0
269.10635	2.6
271.18936	1.9
273.10080	21.8
275.20041	52.7
276.20374	3.9
278.10675	3.0
280.09714	4.7
293.21143	2.7
297.10028	2.5
298.10916	2.9
303.16339	10.6
304.19827	1.9
321.17471	5.2
331.15753	38.8
331.19281	3.4
332.16217	2.3
349.16858	100.0
349.23746	36.4
349.27380	5.3
349.30841	2.0
350.17334	10.3
350.23972	3.2
367.17941	42.5
368.18066	2.7
372.18399	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	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.6
55.05516	27.8
57.03437	36.4
65.03944	3.0
67.05496	43.2
67.84682	3.2
69.07065	15.2
70.84752	8.0
70.85081	3.4
71.04988	3.0
72.89790	3.0
79.05490	72.7
81.07067	43.8
83.04994	7.1
83.08620	13.3
85.06528	8.3
91.05480	85.3
93.07040	56.8
95.04967	14.1
95.08613	32.7
97.06535	5.1
97.10175	7.7
103.05392	3.2
105.07028	100.0
106.07410	3.2
107.04957	5.0
107.08595	59.7
109.06508	11.5
109.10165	11.5
117.07018	40.2
119.08575	62.7
121.10152	15.2
123.08056	5.5
125.09618	5.9
129.07001	13.2
131.08562	49.8
133.10153	39.4
135.11682	9.5
141.06984	4.0
142.07794	4.1
143.08592	19.5
144.09373	4.3
145.10120	94.9
147.11679	41.2
149.09615	12.9
157.10120	15.3
159.11707	56.5
161.09578	4.5
161.13280	13.4
163.11198	4.1
169.10144	8.6
171.11678	14.7
173.13252	14.1
175.14801	5.7
177.12671	4.8
183.11670	10.1
185.13281	24.5
197.13237	11.6
201.16328	3.6
203.14340	13.0
207.58517	3.2
211.14790	5.1
219.17451	24.2
229.19518	9.3
239.17921	31.3
244.37436	3.0
257.19016	61.9
275.20062	47.4
288.05344	3.4
294.85941	3.1
331.22580	6.7
349.23688	77.8
350.24094	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	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05757	2.1
53.03929	6.1
55.01865	5.6
55.05510	22.5
57.03436	89.1
57.07087	1.7
59.96997	2.0
65.03914	3.4
67.05502	49.4
69.06787	1.5
69.07066	17.5
70.49899	2.1
70.50247	5.7
71.04994	2.3
79.05490	79.6
80.05837	1.8
81.03358	1.8
81.07058	52.3
83.04961	4.0
83.08614	15.5
85.06542	14.4
91.05476	93.7
92.05806	1.9
93.07040	79.8
94.07380	1.8
95.04978	14.1
95.08604	44.5
97.06507	7.4
97.10168	4.5
99.08074	6.6
105.04523	2.2
105.07025	100.0
106.07344	2.8
107.04912	4.2
107.08597	43.7
109.06504	12.7
109.10164	11.3
111.08065	6.0
115.05442	3.1
117.06226	3.0
117.07011	43.9
119.08574	86.4
121.06505	3.6
121.10134	21.5
123.08060	5.6
123.11684	2.4
125.09605	2.3
128.06168	4.7
129.07004	22.2
130.07771	2.9
131.08557	45.4
133.09117	2.1
133.10127	42.5
135.08043	5.9
135.11690	12.7
137.09624	3.6
141.06937	4.3
142.07747	3.6
143.08557	22.4
144.09343	2.2
145.10115	55.9
146.10417	2.4
147.08020	2.0
147.11679	34.5
149.09615	9.1
149.13106	2.4
151.11226	2.8
155.08528	3.3
157.10156	24.8
159.11688	72.3
160.12038	2.4
161.09555	6.1
161.13246	25.0
163.11169	6.0
165.12642	1.9
169.10126	8.9
171.11755	9.5
173.13260	21.4
175.11151	5.2
175.14777	12.3
177.12683	2.7
181.10204	1.9
183.11658	9.4
185.13255	44.3
191.14186	3.7
197.13245	8.7
199.14691	2.7
201.12717	2.8
201.16367	7.0
203.14301	26.5
211.14786	2.6
215.17928	3.5
219.17419	50.4
221.15260	6.2
229.19493	6.3
239.17970	21.5
247.17244	1.8
257.19000	43.1
275.20059	59.5
276.20212	2.9
277.17935	7.6
319.97223	2.1
331.22668	5.0
349.19745	11.9
349.23660	71.8
350.23932	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	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.2
55.01875	6.7
55.05510	37.2
57.03439	50.9
65.03939	4.6
65.84019	3.7
67.05507	48.4
69.07063	18.1
69.80586	23.4
71.04979	7.1
77.06805	4.0
79.05494	100.0
81.06640	5.4
81.07066	50.3
83.04978	7.8
83.08623	14.5
85.06541	10.3
91.05479	96.3
93.07049	67.6
95.04956	13.8
95.08616	32.6
97.06520	6.6
97.10174	13.0
98.71262	4.0
105.07031	99.1
107.04975	7.7
107.08605	85.2
109.06509	13.0
109.10159	12.1
117.07024	38.4
119.08598	65.5
121.10152	18.9
123.08045	5.3
125.09636	10.4
128.06244	5.6
129.06975	9.6
130.07736	4.8
131.08569	40.3
133.10156	45.9
135.08041	5.0
135.11743	9.2
136.88399	3.6
141.07048	6.1
143.08577	15.4
145.10120	88.6
147.11668	42.6
149.09645	19.6
155.08566	5.0
157.10121	17.6
159.11710	50.0
161.09570	5.5
161.13243	14.4
163.11163	7.5
169.10123	7.5
171.11691	12.2
172.19446	4.0
173.13261	23.3
175.11205	4.8
175.14839	7.9
181.12175	5.2
183.11678	12.1
185.13268	24.9
189.11200	8.8
194.57216	3.9
197.13275	9.7
203.14345	17.8
211.14796	9.2
219.17455	18.8
229.19641	7.1
239.17984	20.9
250.05766	4.2
257.19000	63.1
275.20053	61.1
331.22653	6.5
349.19730	7.9
349.23761	80.2
350.24097	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	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.8
55.05519	18.0
57.03439	74.1
65.03952	3.8
67.05500	48.1
69.07069	17.6
70.33715	13.9
71.05018	6.2
79.05493	75.9
81.07059	52.1
83.04977	3.8
83.08604	8.9
85.06534	7.9
91.05479	80.0
93.07050	83.8
95.04961	16.0
95.08616	48.1
96.50024	3.2
97.06529	7.1
99.08108	4.4
103.05493	4.1
105.07034	100.0
107.04937	5.1
107.08588	40.7
109.06524	15.0
109.10162	12.2
111.08102	5.6
117.07025	37.7
119.08582	73.9
121.06509	3.9
121.10139	20.3
123.08082	6.9
123.11767	4.5
128.06288	4.2
129.07001	16.4
131.08585	43.0
133.10126	37.7
135.08043	6.3
135.11671	12.1
137.09622	5.5
141.94435	3.7
142.07819	3.5
143.08597	17.5
145.10132	62.3
147.11691	37.6
149.09615	8.4
151.11247	4.5
157.10098	19.9
159.11694	66.0
161.09676	6.4
161.13239	21.2
163.11168	4.5
169.10133	6.4
171.11649	4.2
173.13258	15.3
175.14842	12.7
182.23366	3.8
183.11690	7.3
185.13292	37.2
197.13257	9.8
199.14795	3.8
201.16415	6.4
203.14299	14.3
211.14880	4.9
219.17392	31.6
221.15253	3.6
229.19411	5.2
239.17947	13.7
257.19000	40.1
275.20102	53.0
349.19867	5.6
349.23651	61.9
350.24216	4.5
361.44873	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41036	2.1
53.03929	4.3
55.01854	7.1
55.05500	23.6
56.96557	46.7
57.03432	64.2
57.07072	9.8
61.02917	3.8
65.03942	2.1
67.05496	55.9
69.03432	3.5
69.06716	3.2
69.07061	47.8
69.26027	6.2
69.26439	17.5
70.07386	2.0
71.04971	7.0
71.95244	5.2
79.05486	81.9
81.03410	3.2
81.06570	3.6
81.07049	67.2
83.04961	5.3
83.08611	11.3
84.96008	3.2
85.02897	4.8
85.06531	8.8
88.12379	2.1
91.05466	80.3
93.07033	78.9
95.04961	13.6
95.08597	41.6
97.06488	10.1
97.10155	7.5
98.97542	2.5
99.04474	2.1
99.08105	3.1
103.05408	3.5
105.07018	100.0
107.04942	15.8
107.08584	55.3
109.06506	17.4
109.10164	13.3
110.97610	3.8
111.08068	4.9
113.00018	4.2
113.06041	2.5
115.07564	6.6
116.06184	2.4
116.98544	3.2
117.06995	39.5
119.08565	70.5
121.01743	3.0
121.06477	5.7
121.10122	19.4
123.08042	4.4
123.11678	4.2
125.09628	5.9
128.06203	5.1
128.98587	5.3
129.07010	15.3
130.07780	3.4
131.00044	3.4
131.08549	44.6
133.10106	45.5
135.08043	8.2
135.11682	10.2
137.02698	2.0
137.09567	6.9
140.98439	3.7
141.01057	2.3
141.06956	5.2
143.08559	21.4
145.10106	60.0
146.99637	9.5
147.08003	4.1
147.11671	45.7
149.09633	13.8
149.13248	4.1
151.11150	3.2
154.99969	5.4
155.08533	4.3
157.10130	17.8
159.11670	60.0
161.01233	2.6
161.09598	5.4
161.13226	20.3
163.11133	8.3
166.99940	3.3
169.02684	4.3
169.10110	8.9
171.03304	2.9
171.11665	11.0
173.13251	18.3
174.98975	3.7
175.11256	5.4
175.14877	10.4
177.12724	3.2
181.01744	2.4
183.11673	10.7
185.04823	2.1
185.13246	36.5
187.02791	3.0
187.11133	3.1
187.14824	4.4
189.11238	6.3
191.14351	2.5
197.07272	9.1
197.13245	8.6
199.06378	2.8
201.16394	6.6
203.14311	20.2
208.42404	2.1
211.06326	2.4
211.14677	2.8
215.17896	3.2
217.07529	3.5
219.17403	33.0
221.15231	4.5
229.07399	3.0
229.19508	6.6
239.17947	23.2
243.08926	4.5
247.08405	4.5
257.18976	50.8
267.09018	2.9
275.20038	59.8
276.20465	4.0
277.11063	11.3
277.17859	4.9
283.08652	2.3
285.10300	3.0
293.21127	2.2
294.09976	15.0
295.12344	5.2
313.14719	4.9
319.12170	2.8
331.15710	53.3
331.22430	4.0
332.15955	3.5
349.16656	65.1
349.19852	72.1
349.23737	81.4
349.30438	3.3
350.16959	4.1
350.20483	4.0
350.23810	5.0
366.35114	2.3
367.17889	5.0
372.18457	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	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.4
55.01860	9.7
55.05510	23.7
56.96564	34.5
57.03439	27.1
57.07073	4.9
63.48898	2.5
67.05508	48.2
69.07063	36.5
70.05089	3.0
70.05417	13.6
79.05058	4.2
79.05489	50.2
81.03412	4.5
81.07053	50.9
83.04965	12.0
83.08604	8.0
85.06540	3.3
91.05477	65.6
92.05804	2.7
93.07042	56.1
95.04953	16.1
95.08607	34.8
97.06523	7.8
97.10199	3.7
99.08087	3.6
105.07024	69.1
107.04981	14.7
107.08598	37.0
108.92593	2.6
109.06519	15.1
109.10168	12.6
111.08092	3.1
115.05455	4.0
117.07023	27.3
119.08581	41.5
121.06507	20.7
121.10119	21.8
123.08052	10.5
123.11701	4.6
125.09605	3.7
128.98557	3.6
129.06987	10.4
130.07838	2.8
131.08566	37.9
133.10132	33.9
135.08073	10.1
135.11671	13.2
137.09549	4.1
141.07047	3.6
143.08569	12.2
145.10115	41.3
146.99678	4.6
147.08028	4.0
147.11673	28.3
149.09596	8.6
149.13225	7.5
151.11224	5.3
155.08527	4.8
157.10132	13.2
158.95412	2.5
159.11690	33.9
161.09663	7.0
161.13242	12.6
163.11171	7.1
165.12715	4.2
169.10184	5.4
171.11742	11.2
173.09631	4.3
173.13242	22.2
175.14835	3.8
177.12772	7.7
179.14211	4.6
181.85587	2.5
183.11604	7.2
185.13275	11.1
187.11137	3.8
187.14900	4.0
191.14278	4.5
197.13162	4.2
199.06372	6.0
201.12801	4.7
203.05910	3.8
203.14423	5.4
207.13800	2.7
211.06367	4.7
213.08020	11.1
215.18016	3.7
217.07501	9.2
219.17513	8.8
229.07494	18.0
229.19527	9.3
231.09012	16.4
239.17929	16.2
243.09103	7.1
247.08510	16.4
247.20615	3.6
254.10718	2.8
257.18976	31.9
267.09164	2.9
269.10580	6.7
275.20050	100.0
276.20370	4.8
285.10141	4.6
293.21143	4.5
305.57190	3.2
307.15991	3.4
331.15857	7.1
349.16785	14.9
349.20129	5.2
349.23572	55.7
349.27139	5.1
367.17825	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	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81909	2.0
51.11231	2.2
53.03929	6.5
54.05819	2.2
55.01857	6.2
55.05505	30.5
56.96539	9.5
57.03433	56.5
57.07061	5.4
63.27416	2.6
65.03921	5.3
67.05172	4.1
67.05497	58.5
67.69924	2.2
69.07064	29.7
70.04035	2.7
71.04970	6.4
71.30132	4.5
75.04469	2.4
79.05486	68.0
81.03406	4.0
81.06580	2.8
81.07050	70.8
83.08614	16.1
85.06513	8.7
91.05467	89.7
92.05807	3.6
93.06460	4.3
93.07033	67.0
95.04973	13.7
95.08601	41.1
96.70351	2.1
97.06535	11.5
97.10153	6.7
99.08061	3.8
105.04488	3.9
105.07020	100.0
106.07336	3.7
107.04929	10.7
107.08585	49.5
109.06490	17.2
109.10152	15.2
111.08032	4.7
115.05441	4.0
117.06210	3.3
117.07016	43.3
119.08569	68.8
121.06490	4.6
121.10129	22.8
123.08004	7.2
128.06207	5.6
129.06976	16.6
131.08546	50.0
133.10100	43.2
135.08014	5.8
135.11649	8.5
137.09596	3.1
141.06906	4.9
141.31195	2.2
143.08553	18.8
145.09045	3.7
145.10115	53.6
147.08038	2.9
147.11658	35.7
149.09596	11.1
151.11183	2.8
155.08502	4.6
157.10100	18.3
159.10533	1.9
159.11674	54.7
161.09544	4.0
161.13190	17.7
163.11157	8.7
165.12744	2.7
169.10132	8.7
171.11620	12.4
173.13258	18.7
175.11102	6.7
175.14824	5.8
177.12799	3.0
183.11667	7.7
185.13213	25.7
187.11205	3.7
189.12689	3.3
197.13252	8.7
199.14731	3.8
201.16318	5.7
203.14296	12.9
203.27975	2.5
211.14720	2.7
215.17880	5.4
219.17404	22.3
221.13292	2.4
221.15279	2.6
229.19420	5.0
239.17923	21.5
257.18967	46.1
275.20016	60.5
276.20364	4.6
296.51199	2.6
331.15656	3.6
331.22577	4.3
349.16489	3.7
349.19791	17.6
349.23660	85.6
350.23856	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	349.237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09478	2.1
53.03939	5.3
54.87825	2.3
55.01866	10.6
55.05503	60.9
56.96562	15.6
57.03433	36.2
57.07065	7.8
65.03930	3.7
67.05499	77.8
68.05801	3.1
69.07060	38.8
69.56934	17.3
71.04984	4.0
71.08628	8.7
72.93797	2.4
79.05484	86.0
81.03403	7.9
81.07047	81.9
82.07386	5.1
83.04969	8.8
83.08609	37.6
85.06531	6.1
91.05473	84.4
92.05811	4.3
93.07030	58.5
95.04969	17.0
95.08595	44.4
97.06535	16.5
97.10168	11.3
98.97545	2.7
99.08099	5.1
103.05466	3.4
105.07018	100.0
107.04945	17.8
107.08582	63.6
109.06517	12.9
109.10146	24.9
110.10474	5.5
110.96799	2.5
111.08070	7.5
113.09629	3.2
116.98597	3.2
117.07005	31.1
119.07780	4.7
119.08574	62.7
121.06483	7.3
121.10138	18.7
123.08035	4.9
123.11726	3.6
125.09599	9.4
128.06189	4.1
128.98450	2.2
129.06964	14.9
130.07767	2.7
131.08548	45.8
133.10117	43.6
135.08060	4.9
135.11702	15.0
137.09618	3.9
141.07013	5.0
143.08534	20.1
145.10104	98.0
147.08058	4.5
147.11676	42.8
149.01233	4.3
149.09613	16.5
149.13258	7.0
155.08546	10.0
157.10115	14.4
159.11670	63.5
161.09605	5.1
161.13193	13.1
163.11148	7.9
169.10149	8.4
171.11693	19.8
173.11755	12.9
173.13274	15.1
174.12035	7.2
175.11214	4.1
175.14790	5.8
177.12732	2.7
179.14268	4.0
183.11703	11.5
185.13211	14.5
189.11209	6.1
195.13812	3.2
197.07336	4.9
197.13235	10.0
201.16290	3.3
203.14333	5.9
211.14929	2.9
215.17888	4.8
219.17467	15.9
221.15398	4.8
229.07327	6.7
229.19482	6.3
231.08998	3.3
239.17899	29.3
241.11034	2.9
247.08469	6.4
247.20584	4.7
255.37604	2.9
257.18997	75.0
258.19415	4.1
258.24545	3.5
259.12228	6.0
267.09088	5.4
269.10416	13.6
275.20023	53.6
278.21954	3.6
285.10037	9.4
287.11731	8.0
303.11206	9.6
331.22589	3.5
333.17313	5.7
349.15289	5.6
349.19763	67.8
349.23746	93.1
350.12799	4.1
350.19971	3.8
350.23956	7.1
350.28781	3.8
351.18353	11.7
369.19379	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61613	1.8
53.03934	12.0
55.01862	21.0
55.05264	3.2
55.05505	45.0
56.96557	57.0
57.03430	25.1
57.07053	5.9
57.47176	1.8
57.78838	1.9
64.13416	1.8
65.03928	4.5
67.05499	81.2
69.03402	5.3
69.07059	59.7
69.62032	14.8
70.04063	4.7
71.04983	5.0
71.95235	5.7
74.97614	1.9
79.05486	100.0
80.05817	3.5
81.03406	18.3
81.06575	3.9
81.07047	79.6
83.04968	18.6
83.08593	13.2
84.95989	2.2
85.06490	3.9
85.78577	1.9
91.05468	80.1
93.06475	4.3
93.07037	76.6
94.07419	3.3
95.01306	12.1
95.04954	25.2
95.08598	53.2
97.06509	23.7
97.10166	9.4
98.20738	3.7
98.97584	3.1
105.07019	81.0
107.04942	37.3
107.05653	1.4
107.08587	57.2
108.08925	3.4
109.06524	14.8
109.10143	24.8
111.08075	6.2
115.05440	3.3
117.07011	28.5
119.08567	49.8
121.06463	8.5
121.10131	24.3
123.04468	3.0
123.08112	9.5
123.11656	5.6
125.09618	11.7
128.98564	7.6
129.06969	6.8
131.08554	32.7
133.06419	2.6
133.10109	47.5
135.08025	8.5
135.11664	14.3
137.02719	3.3
137.09607	4.7
139.07552	2.2
141.06943	6.5
143.08456	6.2
145.06454	2.8
145.10101	29.9
146.99629	7.2
147.11673	31.2
149.09610	29.8
149.13228	8.3
151.11157	3.4
155.03763	5.2
157.10092	6.4
159.11670	24.7
161.09651	2.3
161.13277	10.7
163.11140	7.4
163.14862	3.1
165.12764	2.6
169.10136	5.5
169.12270	1.9
171.03276	3.6
171.10272	2.0
171.11650	8.1
173.11902	2.1
173.13231	10.6
175.14813	2.4
177.12701	9.1
179.14261	17.3
183.11685	2.6
185.04825	3.0
187.06461	2.3
187.11119	7.7
189.04369	3.0
189.11142	6.5
189.12697	2.2
191.14299	2.5
197.13177	4.8
199.06393	7.5
203.05896	4.6
205.12254	3.6
209.15314	3.9
211.06354	3.3
213.07965	11.5
215.17691	2.7
217.07437	12.4
225.07947	3.8
229.07445	15.9
229.19495	5.7
231.08992	19.2
236.09564	2.0
239.09447	3.1
239.17912	3.6
241.11159	2.8
241.14288	2.0
243.09111	11.8
245.10764	2.2
247.08466	13.2
247.20514	6.1
255.08902	4.4
257.10556	2.4
257.18985	14.0
259.12119	6.4
261.09964	5.3
265.66507	2.1
267.16068	2.2
273.09976	2.4
275.20023	71.7
276.20291	4.1
293.21060	2.3
295.12119	4.5
297.13712	3.0
331.15753	33.9
332.15482	2.7
349.16739	71.6
349.23608	51.7
350.17081	7.8
350.23724	3.4
367.17923	24.2
372.18323	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	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
55.01869	8.0
55.05505	17.1
57.03437	12.8
57.07059	2.9
58.87997	1.3
62.66141	1.1
65.03934	2.5
67.05500	32.8
69.03426	1.4
69.07063	18.6
70.06589	1.5
71.04977	2.3
71.12099	1.9
71.12415	1.8
77.00871	1.1
77.72436	1.1
79.05489	35.1
80.98717	1.3
81.03400	4.1
81.07051	47.1
82.07378	1.2
83.04971	5.1
83.08611	6.3
85.06548	2.1
91.05473	36.2
93.07043	31.3
95.04990	7.1
95.08597	22.4
97.06532	10.7
97.10159	2.7
103.05442	1.8
105.07022	41.4
106.07372	1.7
107.04952	7.2
107.08588	25.0
109.06522	7.8
109.10138	11.9
109.79115	1.3
111.08072	1.7
112.99946	1.2
117.06998	12.7
119.08573	28.7
120.08887	1.6
121.06480	3.3
121.10134	11.4
122.14339	1.1
123.08058	4.2
123.11692	1.6
125.09618	4.1
129.06984	3.7
130.07777	2.3
131.08572	20.0
133.10115	23.3
135.08034	3.9
135.11678	7.2
137.09610	1.9
141.06938	1.7
143.08517	5.4
145.06494	1.6
145.10112	25.8
145.68376	1.2
147.07996	1.7
147.11670	13.2
149.09593	6.8
149.13226	4.1
151.11186	1.8
155.08572	1.9
157.10135	4.9
159.11668	15.8
161.09552	1.6
161.13222	5.2
163.11140	6.1
163.14780	1.9
169.10110	3.4
171.11644	2.8
173.13281	7.6
175.11153	2.2
177.12755	1.8
179.14244	2.0
183.11671	2.5
185.06606	1.3
185.13257	2.4
187.11172	2.2
191.14203	2.0
197.13264	1.8
213.16403	1.5
217.98041	1.2
229.19490	3.8
239.17923	5.3
247.20561	3.0
257.12305	2.3
257.18973	15.1
265.21628	1.3
275.20041	29.5
276.20398	2.4
281.12347	1.9
331.18317	2.6
349.19736	100.0
349.23773	37.3
350.19916	6.4
350.23798	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	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.3
54.42994	2.5
55.01862	4.5
55.05304	2.2
55.05508	25.5
56.96538	3.4
57.03433	32.1
57.07070	2.6
67.05160	3.9
67.05498	41.6
69.07062	14.5
70.04063	3.2
71.04983	6.4
71.44199	3.3
79.05054	4.2
79.05486	47.4
81.03397	3.4
81.07044	46.9
83.04961	4.4
83.08606	11.5
85.06560	5.5
91.05471	62.6
93.07042	45.3
95.04956	13.6
95.08597	42.8
97.06514	9.0
97.10114	4.7
103.05418	3.5
105.07018	83.4
107.04932	6.3
107.08584	31.9
109.06514	11.1
109.10152	12.2
111.08051	5.5
112.39931	2.2
117.07005	27.6
119.08565	59.0
121.06506	2.1
121.10125	16.8
123.07999	3.9
123.11684	2.6
125.09624	4.0
127.68197	2.2
128.06183	3.2
129.06998	14.2
130.07703	3.9
131.08560	38.5
132.51263	2.2
133.10124	34.2
135.08034	5.1
135.11665	10.7
139.28091	2.1
141.07031	4.4
143.08546	14.0
145.10103	58.4
147.11674	28.8
149.09563	10.1
149.13223	2.6
155.08539	4.4
157.10127	19.0
159.11684	65.4
161.09630	5.2
161.13235	12.5
163.11163	7.7
169.10141	6.5
170.10864	2.2
171.11708	11.8
173.13232	18.5
175.11139	3.1
175.14781	5.3
183.11647	8.6
185.13217	13.6
187.11139	2.2
187.14731	2.7
197.13213	7.5
198.97986	2.3
199.14717	3.1
201.16336	4.3
203.14278	5.8
211.14742	4.2
215.17944	3.3
219.17397	19.0
229.19470	8.3
239.17918	20.3
257.18991	55.4
258.19553	2.6
275.20038	42.0
276.20456	3.8
277.17953	2.6
285.09906	3.2
326.32010	2.6
331.22388	3.1
349.19705	17.9
349.23669	100.0
350.23962	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2354
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
55.05484	3.5
57.03417	4.5
57.07062	2.5
59.24493	2.0
67.05495	8.6
69.07067	6.0
70.85332	5.5
71.08665	2.3
71.62510	2.2
79.05480	8.9
81.07040	12.9
88.11253	2.1
91.05476	13.2
93.07036	13.2
95.04956	3.3
95.08610	6.3
97.06552	2.7
97.10180	2.7
105.07035	10.4
107.04940	4.9
107.08586	6.9
109.06489	2.8
109.10143	2.9
114.79240	2.2
117.07035	4.8
119.08586	8.9
121.10153	4.9
123.08109	4.3
131.08583	5.9
133.10121	7.3
135.11662	2.5
143.08591	2.5
145.10097	6.5
147.11681	4.7
149.09608	2.8
159.11652	9.4
163.11150	3.2
167.07077	5.2
172.95253	4.9
173.13248	2.2
179.14299	7.1
185.13297	4.3
190.96248	3.0
219.17415	2.8
239.11420	1.9
257.19022	5.9
275.20013	6.5
275.26279	2.3
349.07306	2.8
349.23532	100.0
349.27316	8.8
349.32339	3.6
350.24017	4.4
367.08221	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.05503	4.0
57.03432	3.4
57.07068	4.1
67.05508	4.6
69.07058	5.5
69.54430	9.7
71.08618	3.1
71.71388	1.1
73.64481	1.1
79.05501	7.2
81.07053	7.2
83.08643	3.1
85.10170	1.5
88.11261	3.6
89.11618	1.2
91.05486	8.0
93.07032	9.4
95.04975	2.1
95.08591	6.0
97.10176	1.4
97.91875	1.1
105.07047	8.4
107.04970	2.9
107.08608	4.7
109.06528	2.8
109.10133	3.4
111.08134	1.6
117.07008	4.1
119.08582	5.5
121.06519	3.5
121.10168	3.0
122.93620	1.2
123.08083	2.8
131.08548	4.7
133.10121	3.5
135.08034	2.1
135.11719	1.4
143.08551	2.2
145.10130	3.8
147.11610	3.3
149.06015	6.1
157.10159	1.7
159.11717	2.1
160.82504	1.1
163.04015	1.5
163.07545	4.6
163.11070	1.2
167.07040	13.2
169.02562	2.1
171.11696	1.7
172.95284	1.2
173.13240	3.0
177.12715	2.1
179.14362	2.5
185.13344	1.5
191.07111	1.7
191.10597	1.1
215.18105	1.2
219.10110	1.7
219.17424	2.1
223.26311	1.2
235.13203	1.4
236.16466	1.2
237.16821	3.3
257.18976	2.5
275.20148	3.4
276.80310	1.3
285.22232	1.2
289.21588	2.9
291.71677	1.3
293.23053	3.9
307.22650	2.5
313.21298	1.4
331.22577	5.0
349.23520	100.0
349.27060	4.9
349.32639	3.0
350.23969	6.5
350.27615	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45624	0.9
51.00898	0.8
51.47059	0.9
53.03936	1.2
53.54142	0.8
55.01868	2.1
55.05504	6.2
56.96558	2.7
57.03429	7.2
57.07068	5.6
59.04986	0.9
61.02921	1.0
61.18021	0.9
67.05496	14.4
69.03420	1.8
69.07059	7.8
70.04045	1.5
70.06590	1.9
70.85299	1.1
70.85614	1.8
71.05009	1.5
72.08127	0.8
79.05484	14.8
81.03421	2.2
81.07050	18.2
83.04945	1.3
83.08610	2.7
85.02914	1.2
85.06544	1.5
91.05468	16.1
93.07040	14.8
95.04975	2.2
95.08594	10.5
96.05615	2.0
97.06537	2.2
97.10162	1.8
98.97530	1.2
99.08113	1.1
105.07027	17.4
107.04972	1.9
107.08595	8.9
109.06506	4.1
109.10163	3.0
111.08115	1.3
115.05459	1.4
117.07016	9.2
119.07735	1.6
119.08560	13.5
120.78506	0.9
121.06444	1.3
121.10145	4.8
123.08053	1.7
125.09632	1.0
129.06996	3.0
131.08546	8.5
133.10118	8.5
134.07187	1.7
135.08069	2.2
135.11699	2.2
135.37807	0.9
136.05060	1.2
138.10255	11.3
141.07030	0.9
143.08559	3.3
145.10121	14.9
147.08044	1.4
147.11658	7.4
148.08659	4.5
149.01205	1.8
149.09650	2.3
149.13261	1.2
151.11115	1.4
155.08542	1.3
157.10164	3.5
159.11673	13.3
161.13243	3.2
163.11147	2.5
166.09785	5.0
169.10175	1.4
171.11722	3.0
173.13293	3.9
177.00696	1.2
183.11684	2.4
185.13257	2.9
187.11092	1.0
187.14873	1.3
197.07346	0.9
197.13214	1.7
202.73813	1.0
203.14378	1.0
213.07799	1.1
213.09662	1.4
219.17517	3.2
222.12457	2.5
229.19508	1.8
231.10864	0.9
234.16035	3.5
239.17941	4.5
245.12497	0.9
247.20529	1.2
257.18991	9.4
263.12518	1.3
268.13342	1.2
275.20059	10.4
280.16537	8.1
331.18576	3.1
331.22568	1.0
340.15311	1.5
349.19882	100.0
349.23813	21.5
350.20190	2.2
358.17648	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1983
Annotation	(plusmn)-JWH 073 N-(3-hydroxybutyl) metabolite-d5
Peak:m/z	Relative Intensity
50.00210	0.4
55.01865	0.9
55.05507	2.9
56.96545	1.3
57.03423	2.3
57.07068	0.8
59.21406	0.5
61.02925	0.6
67.05499	5.2
69.07058	4.3
69.88544	2.2
71.95212	0.4
79.05493	6.5
81.03429	0.9
81.07049	5.7
83.08593	0.9
91.05470	5.6
93.07035	5.5
95.01936	0.5
95.04955	1.3
95.08597	3.3
97.06511	1.5
97.10173	1.1
105.07022	5.9
107.04936	1.3
107.08592	4.8
109.06485	1.3
109.10152	1.4
113.00011	0.7
113.96011	0.4
115.07581	0.6
116.98648	0.5
117.07011	2.2
119.08563	3.5
121.06509	0.6
121.10139	1.4
123.08097	0.5
123.11692	0.5
125.09647	0.7
129.06995	0.9
131.00061	0.5
131.08524	2.7
133.10101	2.6
135.08026	0.7
135.11661	1.0
137.05762	2.8
140.98439	1.1
143.08575	1.1
144.78737	0.4
145.10132	3.1
147.11678	1.8
149.09596	1.0
149.13254	0.6
154.99962	0.6
157.10109	0.8
159.11673	2.4
161.13266	0.9
163.11217	0.9
164.61737	0.4
171.11694	0.7
173.13242	1.1
174.99020	0.5
179.14345	0.5
189.00694	0.6
197.07237	0.6
219.17406	1.3
221.11435	1.1
235.13037	2.1
239.17812	0.9
253.12802	1.1
257.19019	3.2
271.13809	1.2
275.20065	4.3
291.39050	0.5
294.10172	0.9
331.19193	0.5
349.19864	100.0
349.23535	6.6
350.20071	3.2
350.23636	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51713	0.6
53.03934	1.7
55.01867	4.1
55.05513	7.7
56.57013	0.6
56.96549	1.3
57.03439	5.3
57.07069	1.0
64.51875	0.5
65.03948	1.0
67.05500	14.5
69.03431	0.7
69.06711	1.0
69.07066	11.7
69.88812	1.7
69.89205	1.3
71.04993	0.6
77.00906	1.1
77.03926	0.6
79.05052	1.1
79.05488	16.0
81.03401	1.2
81.06577	0.9
81.07053	17.0
81.29501	0.7
83.04957	2.9
83.08607	2.3
91.05476	16.4
93.07034	14.9
93.85181	0.5
95.04990	3.2
95.05480	0.5
95.08602	10.6
96.08141	1.9
97.06535	4.9
97.10165	1.7
105.07029	15.0
107.04949	3.5
107.08588	11.1
109.06499	2.7
109.10152	3.7
111.04202	0.8
111.08120	1.1
113.00014	2.9
117.07025	6.2
119.08581	11.2
119.09429	0.6
121.06535	1.1
121.10146	5.5
123.08084	1.5
123.11732	1.1
125.09631	1.0
129.07022	1.5
130.07779	0.8
131.08569	8.8
133.06480	0.6
133.10107	8.4
135.08070	1.9
135.11720	3.7
137.05756	1.3
137.09628	1.2
141.07014	0.8
143.08556	1.2
145.10100	7.3
147.08049	0.7
147.11678	6.2
149.09604	3.6
149.13284	1.6
151.11192	0.8
155.08542	0.6
157.10138	1.5
159.11684	5.2
161.09554	0.7
161.13275	2.5
163.11162	2.9
169.02611	3.5
169.10143	1.2
171.11749	1.6
173.13257	2.8
175.11288	0.7
177.12785	0.8
177.64012	0.6
179.14313	1.3
181.05415	0.6
187.11108	0.7
197.07295	1.1
201.09752	0.9
201.12619	0.6
201.16312	0.6
213.16458	0.9
225.11070	0.7
229.19589	1.5
239.11394	0.6
239.18002	1.6
243.10843	0.6
247.20645	1.8
253.12828	1.7
257.12329	1.1
257.19055	3.5
261.14719	2.8
271.13715	1.5
275.20068	11.8
279.14398	0.7
294.10025	2.2
297.15421	0.6
331.22754	0.9
349.19867	100.0
349.23792	13.3
350.20120	2.0
350.23889	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	9.2
56.96561	100.0
57.03418	8.2
57.07068	4.5
67.05502	17.2
69.07054	13.8
71.60652	3.7
71.95260	12.5
72.96051	4.3
74.97601	4.8
78.51642	2.7
79.05470	11.9
81.07043	20.4
83.57645	2.5
84.22839	2.5
84.96017	3.0
91.05466	14.5
93.07031	20.0
95.04973	6.9
95.08603	11.4
97.06544	4.2
98.97537	3.7
105.07024	16.8
107.04939	3.5
107.08607	16.0
109.06506	5.0
109.10146	7.0
110.97566	6.1
112.37003	2.3
116.98635	3.5
117.07011	4.6
119.08564	15.2
121.06501	6.0
121.10133	10.0
123.01186	5.9
123.08058	4.5
128.98561	12.9
129.06937	2.6
131.08559	8.9
133.10135	12.7
135.11731	3.8
137.02713	5.4
141.02188	3.7
143.08604	2.7
145.10117	9.7
146.99628	13.9
147.11662	5.7
149.01273	3.2
153.02252	3.7
159.03247	3.8
159.11714	5.6
161.13313	3.2
163.11258	4.1
169.01804	5.4
171.03250	10.3
173.13268	3.7
175.02777	3.5
183.03253	4.3
185.04903	9.1
189.04324	14.9
191.05945	4.1
195.06937	3.2
197.04872	4.5
199.06442	11.1
203.05917	14.8
209.04970	2.9
211.06395	6.5
213.07985	11.5
215.05928	4.3
217.05490	4.1
217.07442	22.5
223.02750	2.8
223.08443	2.7
225.07944	8.4
227.09555	5.8
229.07460	9.9
231.06944	4.0
231.09041	11.5
237.04230	3.0
237.07988	6.1
238.91522	2.5
239.09492	8.0
239.18195	3.5
243.09108	9.2
245.10562	8.3
249.08176	6.5
251.09596	10.6
255.09003	37.2
257.10590	5.2
257.19055	7.8
267.09018	41.3
269.10559	66.6
270.11142	3.7
271.12207	2.8
273.09991	28.1
275.20032	29.0
278.10574	3.9
279.08917	3.6
280.10110	3.4
285.10092	58.5
286.10376	4.2
287.11673	23.1
291.12711	7.0
292.12244	7.2
293.21033	2.9
295.12225	3.7
298.11121	3.4
303.11191	8.0
307.12234	2.6
308.11575	6.1
309.13797	9.7
310.13617	3.0
331.15756	26.7
349.16812	76.8
349.23267	14.1
349.27582	4.2
350.17130	2.8
367.17932	44.5
372.18201	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72043	6.9
55.05501	8.9
56.96558	71.3
57.03431	10.2
67.05502	25.4
69.07065	21.4
70.04072	100.0
70.21375	6.4
71.03815	8.8
71.04404	14.1
71.20705	15.7
79.05485	25.9
80.63057	7.0
81.07055	31.4
84.96012	6.4
91.05486	18.8
93.07035	22.7
95.08582	11.2
95.85574	7.8
105.07031	23.9
107.08597	22.3
109.10061	7.4
119.08589	11.7
121.06495	14.2
121.10155	7.7
128.98643	11.6
131.08569	15.1
133.10120	14.3
135.11699	8.5
145.10054	13.7
146.99632	6.9
147.11678	14.1
149.09509	7.9
159.11725	12.3
185.04855	6.5
194.93323	8.5
199.06471	12.6
211.06242	7.9
213.08031	19.5
217.07457	17.9
229.07518	35.7
231.09006	41.2
243.09018	14.5
247.08505	33.3
255.08925	9.1
257.19061	8.6
261.10031	13.5
269.10706	21.9
275.20035	52.0
285.10089	20.1
287.11600	12.7
331.15756	18.9
349.16986	74.4
349.23761	19.7
367.17850	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1774
Annotation	Funebrine
Peak:m/z	Relative Intensity
52.86629	0.6
53.03936	0.9
55.01853	3.0
55.05490	2.8
56.42268	0.7
56.96562	48.0
57.03417	3.1
67.05492	5.8
69.06753	0.8
69.07065	7.0
70.04068	7.8
71.04388	1.0
71.59772	0.8
71.95257	4.4
72.96037	0.9
74.97584	1.3
76.86427	0.7
79.05486	9.1
80.22655	0.7
81.03409	0.9
81.07040	7.7
83.04971	1.4
83.08573	1.0
84.96016	2.5
89.44797	0.7
91.05479	5.8
93.07024	4.8
95.04964	1.6
95.08580	3.9
97.06541	4.6
97.96828	1.4
98.97572	2.1
105.00137	2.0
105.07029	5.5
106.33207	0.8
107.04942	2.1
107.08576	4.5
109.06488	2.5
109.10171	1.1
110.97559	3.3
115.97794	0.8
116.98562	2.4
117.06974	2.6
119.01601	0.8
119.08589	3.5
121.10123	2.0
123.01169	3.1
123.08050	0.7
123.11653	0.9
128.98598	9.5
129.07018	1.0
131.00055	1.9
131.08563	2.0
133.10115	3.0
134.99614	1.6
135.11720	0.9
137.02725	2.3
140.98424	2.4
141.02180	1.9
143.00050	2.1
145.01773	0.9
145.10100	3.7
146.99638	10.6
147.03296	1.6
147.11690	1.5
148.12813	0.7
149.01161	1.1
149.09570	1.1
153.02176	1.1
155.00008	0.8
155.03740	3.0
155.36656	0.7
157.01730	1.4
159.03261	1.3
159.11714	2.1
161.01208	1.3
163.11261	1.1
165.00729	1.7
167.00038	1.8
167.03683	1.6
169.01660	2.7
169.05365	0.9
171.03265	4.1
173.01353	0.8
173.04869	1.8
174.99019	1.7
175.02782	1.3
177.04335	1.6
179.02296	1.2
179.14319	1.6
181.01595	0.9
181.05348	1.8
183.03313	1.2
185.04860	3.2
187.02773	3.1
187.06384	1.0
189.00572	2.1
189.04425	3.5
189.05859	1.0
191.05824	1.2
195.03159	0.9
195.06873	1.1
197.04745	1.7
199.06371	6.9
201.04309	1.9
203.05908	4.7
205.07454	3.1
207.06940	1.2
211.06372	2.2
215.03999	0.9
215.05882	1.0
217.05513	0.9
217.07440	12.2
221.08574	1.6
223.02751	2.3
223.06490	1.3
223.08499	3.9
225.04228	1.0
225.07922	2.6
227.09575	1.4
229.07484	2.4
229.19472	1.0
231.09044	1.4
235.06367	0.9
237.04330	2.0
237.07935	3.4
239.05771	0.8
239.09607	3.6
241.07407	1.3
241.11197	1.4
243.08960	4.7
247.10266	0.8
249.08060	1.1
251.09587	4.3
253.11142	2.3
255.09012	15.6
257.10672	2.0
257.19067	1.1
259.12238	1.1
261.10010	1.1
263.09567	3.1
265.11182	1.5
267.08813	1.0
269.10596	3.9
271.12207	1.1
273.10080	11.1
275.09705	0.8
275.20044	4.7
277.08154	1.4
277.11026	8.7
278.10889	1.3
279.09152	1.3
279.12711	2.5
280.09888	4.1
281.10565	5.6
283.12222	1.2
291.12610	2.3
293.10669	1.4
295.12106	2.8
297.10138	1.0
297.13431	1.1
298.10977	2.3
299.11710	4.0
313.15070	1.1
321.17114	1.2
331.15759	50.2
332.16104	1.6
349.13419	6.0
349.16855	100.0
349.23758	4.0
350.17148	3.7
367.17908	28.0
372.18454	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	349.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
55.05501	3.7
56.96565	39.5
57.03439	6.5
67.05504	8.1
69.07061	4.3
71.08625	1.5
71.40257	1.4
71.95264	5.2
72.96035	1.4
74.97593	1.0
79.05492	9.1
81.07051	9.9
83.04980	1.1
83.08607	1.6
84.96030	1.5
91.05484	11.9
93.07037	9.9
95.04953	2.4
95.08596	7.0
97.06491	1.3
97.96808	1.2
98.97514	1.2
99.08084	1.7
105.00172	0.9
105.07028	11.5
107.04935	1.8
107.08602	4.8
109.06514	1.8
109.10149	1.4
110.97571	2.9
113.06036	0.8
115.97830	1.5
117.07027	4.4
119.08575	8.3
121.06498	0.8
121.10123	2.7
123.01180	2.5
123.08076	1.4
128.06201	0.8
128.98602	7.8
129.07008	1.4
131.00034	2.0
131.08582	6.7
133.10112	5.7
135.08034	1.3
135.11696	1.5
137.02721	1.3
140.98444	1.5
141.02225	1.9
143.00070	1.8
143.08557	1.9
145.01678	1.0
145.10120	5.0
146.99660	6.7
147.03258	2.1
147.11673	3.1
149.09532	1.9
150.35309	0.7
151.04318	0.9
153.99225	1.5
154.99992	1.9
155.03851	1.6
157.01579	0.8
157.10132	1.4
159.11716	5.0
161.01207	1.4
161.09660	1.5
161.13266	1.5
165.00719	1.6
165.02164	1.1
167.00085	1.4
167.03801	1.1
169.01651	2.9
169.05321	1.6
169.10165	1.4
171.03291	0.9
171.11748	1.1
173.04837	2.0
173.13278	2.0
177.12785	2.2
179.14413	0.8
181.01566	1.2
183.03281	1.4
183.06918	0.8
185.04816	2.0
185.13246	2.3
187.02742	3.0
189.00618	1.2
189.04340	1.7
195.03308	1.0
195.06918	1.5
197.04874	0.9
199.02745	0.8
199.06389	2.1
201.16443	0.8
203.05814	1.4
203.07503	1.3
203.14368	1.1
207.06981	1.0
209.04924	0.8
213.07837	1.0
217.07495	2.9
219.17416	4.7
221.04752	1.1
221.08565	1.6
225.07930	1.7
229.19609	0.9
233.08536	0.9
235.06410	1.3
239.09636	3.7
239.18037	2.2
243.09036	1.1
247.10220	1.2
249.07928	1.0
251.09496	4.4
253.11119	1.5
255.09032	1.0
257.10626	2.3
257.18973	5.1
263.09592	1.1
265.11072	1.8
269.10666	3.8
271.12305	1.3
275.19968	6.2
277.11102	10.7
279.12564	0.9
283.12234	1.0
291.12683	1.7
293.10419	1.0
293.14288	1.2
295.12146	3.0
297.13577	0.8
313.14658	2.5
331.15775	51.0
332.16241	1.2
349.13669	4.5
349.16837	100.0
349.23038	10.0
350.17114	2.4
354.17374	0.7
367.17932	8.2
372.18478	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	349.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12621	0.6
55.01848	2.4
55.05495	1.8
56.96558	37.9
57.03411	0.7
57.07061	0.9
64.59113	0.8
65.61019	0.7
67.05509	4.2
69.07058	8.3
70.03683	1.0
70.04063	11.1
70.47522	2.7
71.95260	4.7
72.96055	1.9
74.97589	1.0
79.05486	7.7
81.07046	5.8
83.08598	1.1
84.96022	1.7
85.06509	0.7
91.05482	4.6
93.07036	3.7
95.04929	1.6
95.08584	2.6
97.06519	2.7
97.10217	0.8
97.96806	1.5
98.21364	0.9
98.97580	2.0
105.00147	1.2
105.07024	5.1
107.04932	2.0
107.08569	3.7
109.06507	1.8
109.10110	0.9
110.97537	4.9
115.68775	0.7
116.98544	2.0
117.06986	2.2
119.08541	2.3
121.06493	1.4
121.10160	1.4
123.01183	1.8
123.08006	1.4
125.09595	1.0
128.98570	9.5
131.00038	2.1
131.08534	1.4
133.01758	1.0
133.10094	2.2
134.99643	1.3
137.02742	2.1
140.98424	2.4
141.02202	2.5
141.92908	0.7
143.00070	2.0
145.10089	1.7
146.99629	10.4
147.11659	1.9
149.01128	1.1
149.09618	1.2
153.99216	1.0
155.00006	1.7
155.03763	2.0
157.01630	1.1
159.11804	0.9
161.01146	2.2
165.00577	1.6
166.99986	1.3
167.03763	0.8
169.01704	2.6
169.05394	1.1
170.01195	0.8
171.03242	2.8
173.04794	1.2
173.13228	1.0
174.99014	2.1
177.02078	0.9
179.14253	1.0
181.01584	1.3
183.03249	1.8
183.11581	0.9
185.04875	1.8
187.02768	1.7
187.06339	1.4
189.00510	1.9
189.04280	2.2
193.05325	1.4
195.06924	0.9
197.04889	1.4
199.02635	1.4
199.06360	6.2
201.00504	0.8
203.01953	0.8
203.05827	3.1
203.07515	1.0
205.07460	3.1
207.06944	1.4
209.08553	0.9
211.06413	3.0
215.05963	1.3
216.52061	0.9
217.07416	10.5
219.06964	1.0
221.06729	1.4
221.08589	1.5
223.02693	2.8
223.06491	1.4
223.08563	3.3
225.04213	1.3
225.07965	2.7
227.05879	1.4
227.09492	1.3
229.07404	2.0
231.09073	1.0
237.04269	1.9
237.07944	3.4
239.05754	1.3
239.09502	2.0
243.09055	4.5
251.09549	2.5
253.07610	0.9
253.11031	3.3
255.05150	1.0
255.06148	1.0
255.09024	17.8
257.10568	1.5
257.18997	1.4
261.10110	2.4
262.08737	1.0
263.09601	1.4
265.04987	0.7
265.11139	1.0
269.10513	2.7
271.12198	1.4
273.10013	14.4
275.09470	0.8
275.20065	4.2
277.08270	0.8
277.11090	5.1
278.10660	1.1
279.09052	1.7
279.12540	1.1
280.09830	5.5
281.10492	4.7
283.12247	0.7
289.14655	0.9
295.08295	0.9
295.12115	1.5
297.10196	1.5
297.13675	1.8
298.10889	2.4
299.11688	1.8
303.16333	0.9
307.16010	1.4
321.17230	1.0
331.15741	45.5
332.15924	1.9
349.13385	5.8
349.16843	100.0
349.23819	2.9
350.16943	3.7
367.17911	30.7
368.18076	0.9
372.18393	7.6
373.18881	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03617	0.4
53.03973	1.3
55.01903	1.2
55.05537	1.0
56.96572	0.4
57.03459	0.9
61.02951	0.9
67.05541	1.4
69.03422	5.1
69.07079	0.5
70.06631	1.2
70.71793	0.8
71.01389	0.7
71.04983	3.8
72.08198	1.2
73.02924	0.6
79.05548	1.7
81.03415	4.5
81.07096	1.9
82.07417	0.5
83.05016	0.6
84.04521	1.0
84.08206	0.4
85.02942	0.5
85.06573	0.5
85.61801	0.4
87.04507	0.4
91.05469	5.3
92.05872	1.7
93.07024	4.3
94.07382	2.0
95.05014	1.6
95.08587	0.8
97.02952	1.4
97.06528	1.0
97.10205	0.5
98.06883	0.6
98.97545	0.5
99.04427	2.0
103.05462	2.1
104.05838	1.0
105.07085	1.0
107.04948	3.5
107.08617	0.9
108.04565	0.7
108.05338	0.6
109.10232	0.5
117.05566	0.5
118.06603	0.6
119.05000	0.5
119.08599	0.7
120.08215	0.6
121.06496	16.9
121.58950	0.4
122.06833	11.0
131.08574	0.6
132.08105	0.7
133.10179	0.7
136.07623	1.5
136.82080	0.4
137.07980	1.1
145.07602	3.7
147.09145	8.1
147.10202	0.5
157.07658	1.2
159.09154	14.2
160.09973	1.8
161.10733	0.4
168.06635	0.6
170.08435	0.8
173.07124	0.9
173.10802	0.9
175.08723	1.6
182.08264	0.8
182.15434	0.7
184.09944	1.1
185.10724	5.9
186.11472	0.6
187.08661	2.4
187.12256	4.7
189.10222	0.8
190.09741	14.3
191.08141	36.2
192.08624	0.8
193.10475	0.5
195.13985	0.6
197.10789	2.8
199.08713	1.4
199.12312	2.9
200.09354	0.7
201.10181	0.7
202.09737	0.5
210.14912	1.2
211.08582	0.5
211.15282	1.0
213.10194	6.1
215.11830	2.2
217.09702	0.5
225.10237	2.1
227.08044	0.5
227.11736	0.9
228.15973	0.9
229.16316	1.9
231.11293	1.3
243.11212	2.6
245.09225	0.5
245.12949	1.4
253.09654	1.0
263.13992	1.3
267.11258	0.5
271.10696	4.1
278.19424	0.8
289.11801	44.3
290.12009	0.6
305.19495	1.7
306.14450	100.0
307.14645	1.8
331.12851	0.9
331.20981	1.4
332.12378	11.2
349.14703	2.4
349.21957	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	349.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57712	1.7
53.03949	2.8
54.22228	1.5
55.01864	2.3
55.05517	5.9
56.05034	9.5
57.03440	10.4
58.99594	14.6
60.04519	2.9
65.03934	2.5
68.05010	2.2
68.43038	1.6
69.03443	2.0
69.07064	5.2
69.51425	4.4
69.51846	8.8
70.06593	42.7
71.06919	2.2
72.08153	12.8
74.06087	2.0
76.02236	13.5
79.05492	14.4
80.05025	1.5
81.03411	4.5
81.07058	100.0
82.07381	2.2
83.06086	4.7
84.04503	93.6
84.07644	2.2
84.08143	40.8
85.01122	4.7
85.02919	2.5
85.04854	2.2
85.08495	1.8
86.00673	8.3
86.09706	26.9
86.99055	12.5
87.02695	56.8
88.03989	2.9
91.05473	6.4
93.04524	3.1
95.04960	3.1
97.06530	3.0
98.06067	2.1
98.09698	5.6
98.20788	3.8
99.08090	13.7
102.05534	4.4
104.10740	2.9
105.00106	14.6
105.07037	3.7
107.04952	39.3
110.07166	29.8
111.04493	1.9
112.11288	2.8
113.04286	2.7
119.08593	3.1
120.08086	5.4
121.02861	33.2
121.06509	3.2
122.02728	60.4
122.07138	2.3
123.04419	2.7
126.05508	2.1
129.10246	12.8
130.05008	17.5
130.06519	9.2
130.08643	5.6
132.01161	23.3
132.04477	3.4
133.06473	5.5
136.07587	3.0
137.64850	1.8
142.03226	6.3
142.04980	2.0
145.06485	14.8
146.05998	2.5
147.06474	2.7
147.06825	2.8
147.08055	18.2
147.11305	6.2
156.08554	3.6
157.06641	3.1
158.05994	5.2
159.04767	17.4
159.08043	2.1
167.09322	3.2
173.05994	10.7
173.12883	2.3
174.09529	2.0
175.08742	11.0
175.11995	1.8
183.11378	1.6
184.07304	2.9
188.03798	3.9
193.04303	1.9
195.08728	3.5
202.08972	90.8
203.07372	33.7
203.09267	2.9
210.11356	3.1
220.09953	11.7
221.09184	9.0
234.04373	4.8
234.99205	1.5
269.64636	2.8
273.11996	1.7
286.11127	4.0
306.12027	4.8
331.13150	4.5
332.11594	4.0
347.94946	1.9
349.08847	3.2
349.14175	7.7
358.14560	1.7
363.74469	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0893
Annotation	Pibocin B
Peak:m/z	Relative Intensity
56.96567	7.1
58.13748	7.8
71.58617	10.7
85.57468	5.7
94.93021	8.7
97.02890	6.6
98.97545	8.6
101.00895	12.7
107.04923	12.3
116.98626	6.8
119.01922	40.2
131.01906	24.6
133.03459	10.9
137.02972	8.1
142.64778	6.7
155.01836	6.9
161.02945	11.0
168.99850	8.8
187.00880	13.1
187.03925	9.0
199.00826	7.9
215.00380	24.0
216.13179	6.7
229.06700	12.1
247.03041	41.4
248.89691	8.5
349.03009	19.5
349.08893	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1283
Annotation	5'-Hydroxymonocillin III
Peak:m/z	Relative Intensity
51.14781	1.2
55.01872	3.1
55.05509	8.8
56.05027	2.5
56.96561	2.6
57.03418	3.2
58.99591	1.5
60.04516	2.0
61.01175	1.4
67.05499	6.2
69.03414	4.2
69.07074	2.6
70.06590	19.7
71.16396	3.8
72.08167	8.2
78.56586	1.5
79.05496	4.0
81.03409	5.4
81.07061	6.1
82.06584	2.2
83.04961	1.4
83.08615	3.6
84.04502	4.2
84.08147	10.3
85.02914	10.8
86.09706	12.0
87.55250	1.3
91.05470	7.6
93.07036	4.7
95.04951	1.7
95.08604	2.0
97.02883	2.5
98.09692	2.7
98.97564	2.1
98.98493	1.5
99.04456	2.0
100.11266	25.9
103.05488	1.5
105.07034	3.1
107.04946	4.9
109.02901	2.0
110.06084	1.7
110.07177	3.4
111.02682	1.2
111.04433	3.4
115.05457	11.9
116.07101	2.1
116.98598	2.2
117.07007	2.6
120.08088	6.2
121.10162	2.2
122.02666	1.9
123.04420	3.4
127.03924	2.2
128.07092	3.1
129.06982	2.9
129.10252	5.7
130.05042	2.2
130.06564	1.7
131.04898	2.8
131.08575	4.3
132.12621	1.4
134.99605	2.3
141.07005	18.5
141.11497	2.4
144.05650	1.6
145.06380	3.7
146.99678	1.6
157.06429	2.4
159.08060	10.4
159.09181	2.1
163.64328	1.8
169.06490	100.0
170.06856	2.7
171.04425	1.6
171.08023	2.8
182.15448	6.3
184.07370	1.9
185.05977	2.7
187.07555	10.0
191.08138	3.5
199.07555	1.8
209.16408	1.8
210.14915	7.7
213.17720	2.4
227.17570	7.5
236.62982	1.6
276.72736	7.3
277.23004	1.8
289.11682	4.2
306.14587	5.8
340.25885	2.2
340.47220	1.5
343.30612	6.3
344.30951	2.1
349.27017	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78996	0.8
55.05505	0.8
56.05009	1.2
57.03435	1.6
58.99574	1.6
69.32957	1.5
69.33361	6.4
70.06574	3.2
72.08130	1.2
76.02219	1.7
79.05480	2.1
81.07059	14.4
84.04498	10.7
84.08142	1.7
86.09687	1.9
86.99039	2.6
87.02687	5.9
91.05485	1.0
97.02919	1.2
97.06497	0.8
98.21447	1.5
99.08092	2.3
102.05523	0.9
105.00060	1.3
107.04950	2.9
119.04951	2.7
122.02717	10.6
123.04437	0.8
130.04988	1.6
132.01140	2.1
136.07530	1.0
147.04398	9.2
155.01955	0.9
159.04730	2.0
185.04204	53.3
187.03662	13.5
202.08968	16.3
203.07373	4.4
220.09995	2.6
223.04454	1.0
234.99095	2.3
236.68112	0.8
236.98589	1.0
286.11209	0.9
289.05402	1.1
321.85693	0.8
349.08926	100.0
350.09277	1.8
367.08743	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01877	1.3
55.05509	2.2
56.00069	1.0
56.96547	1.6
57.03411	2.8
58.99561	1.6
60.04509	0.9
61.02905	1.9
67.05490	1.7
69.03431	2.0
69.07046	1.6
69.35397	4.8
69.35822	4.6
70.06583	7.8
72.08144	3.6
72.93790	1.7
73.02910	2.0
76.02218	2.2
79.05480	3.0
81.03425	1.4
81.07053	14.2
81.98212	1.1
84.04502	15.0
84.08150	4.1
84.96023	1.1
85.01131	0.9
85.02898	3.2
86.06074	1.2
86.09703	4.6
86.99030	2.7
87.02679	7.9
91.03955	1.6
91.05474	14.4
93.07046	1.1
97.02846	1.5
97.06512	2.2
98.97581	3.9
102.05548	1.4
103.60327	1.0
107.04945	7.9
110.07195	1.9
112.07544	1.5
116.98562	1.8
117.02813	1.0
119.04919	5.3
120.08130	2.1
122.02735	11.1
129.10233	1.4
130.04994	3.3
132.01149	2.1
146.05988	2.6
147.04399	10.1
148.04730	1.4
156.08440	1.1
159.04774	3.5
166.58792	1.0
167.10509	1.0
168.06578	1.5
177.03291	1.0
185.04190	48.5
185.77141	1.1
187.03648	100.0
188.03902	1.5
202.08943	14.8
203.07405	4.2
214.06805	1.6
216.07852	1.9
218.97438	1.6
220.10091	3.8
224.05817	1.0
226.06891	1.1
234.99001	1.3
237.02890	1.3
247.04523	1.4
283.08643	1.1
327.07724	1.4
328.79929	1.0
331.13208	1.8
349.08920	48.0
349.13519	1.5
349.18234	4.4
367.08908	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80947	0.8
56.98888	0.9
58.99860	1.8
60.04523	1.4
68.98292	1.1
70.06584	5.1
70.30087	3.8
71.34370	0.9
77.00901	2.6
82.99840	2.3
84.08138	2.4
85.02887	1.1
86.99338	1.1
95.01881	1.0
97.02892	1.3
101.00878	18.9
102.00992	1.2
105.00347	3.9
113.00867	8.3
115.02412	2.8
116.07104	1.4
119.01919	100.0
120.01985	1.3
123.01450	1.1
126.98832	1.1
129.10190	1.3
131.01906	73.1
132.02011	1.0
133.03470	13.1
136.04634	1.1
137.02954	19.2
142.03496	2.1
143.01886	9.5
143.06512	1.4
144.99774	5.2
145.03438	7.5
147.01477	1.6
149.01826	2.0
149.02959	24.9
151.04512	2.0
154.03554	2.4
155.01881	9.9
157.03459	3.8
159.06142	1.3
161.01717	1.3
161.02972	19.7
163.00893	1.8
163.02855	0.9
163.04503	2.3
168.99823	23.6
171.01421	1.2
171.05042	1.4
172.99348	2.8
173.02960	27.5
174.03252	1.4
175.04533	1.5
175.11870	2.6
177.02502	2.6
179.03999	1.4
180.99817	5.0
184.04683	1.3
185.02882	5.1
185.06657	1.4
187.00880	40.1
187.05667	1.7
188.01039	1.4
191.00305	2.1
191.03972	5.5
196.04620	2.3
196.99283	12.1
199.00876	20.4
201.02431	5.1
203.04079	5.5
205.01860	1.7
210.02498	1.9
211.00749	1.4
213.02354	4.6
215.00365	71.8
216.00537	1.9
217.01949	3.7
219.03494	9.9
221.05099	5.3
222.02625	1.5
223.02940	1.2
227.00377	3.7
229.01927	16.7
229.05641	4.0
231.03493	10.0
233.01494	5.1
238.01900	5.0
239.06116	5.6
241.01930	6.3
241.05702	1.5
245.01433	3.9
247.03000	80.9
248.03136	3.0
251.02568	1.5
257.01376	1.9
259.02957	19.4
270.04559	7.1
277.04132	6.7
282.04706	1.7
289.04037	12.6
307.05444	1.4
317.03427	5.9
349.06006	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	348.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66322	1.2
52.95436	1.4
52.95683	1.1
55.05515	9.1
56.05022	1.6
56.96547	2.5
57.03434	3.5
59.02187	1.3
60.04536	1.5
62.41117	1.2
67.05487	5.0
68.05030	13.7
69.07056	1.6
69.71413	3.7
69.71835	5.0
70.06601	11.9
71.04966	1.7
72.08162	6.8
75.12726	1.2
79.05498	6.3
80.05024	25.6
80.05876	1.9
81.03378	2.0
81.04523	1.4
81.07079	7.3
82.06556	1.9
83.04990	1.4
83.06091	5.2
83.08611	4.8
83.47488	1.2
84.04499	4.2
84.08151	7.0
84.22904	1.1
86.09689	4.6
91.05469	4.9
93.07037	5.1
94.06570	17.8
95.06094	100.0
95.08559	3.0
97.10169	2.0
98.97546	2.4
100.11264	7.3
104.10751	1.8
105.07012	5.5
106.06561	4.6
106.07317	1.6
107.04953	4.0
107.08588	3.1
108.08082	2.2
109.10117	1.5
112.07616	1.3
112.08729	1.3
115.05423	2.0
117.06939	1.4
118.06541	2.5
120.08096	4.4
121.10137	1.4
126.05503	1.3
129.07019	1.5
129.10249	2.2
130.06561	1.5
131.08531	2.5
132.08086	4.2
133.10121	2.0
134.99641	1.5
136.06183	11.6
145.07547	2.2
157.10068	2.5
159.11758	1.4
162.10339	6.8
172.08806	1.6
174.10271	37.4
174.12756	5.1
176.14404	1.9
182.15427	2.4
184.07355	3.0
186.12764	9.4
188.11821	2.1
192.13838	3.9
204.13858	2.5
210.14868	4.2
214.30833	1.4
222.14966	1.9
231.09404	1.4
243.64354	1.5
245.61310	1.5
260.16476	3.3
268.18073	28.9
269.10605	1.6
277.19086	3.7
284.17487	3.1
286.19138	44.6
302.18649	4.8
304.20197	98.6
305.20499	3.2
323.08026	1.8
341.09076	1.5
343.30588	1.4
348.19141	21.1
348.26596	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	348.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01836	3.6
55.05502	27.9
56.96561	5.9
57.03433	14.0
57.07035	2.6
58.58649	2.5
59.04982	3.0
63.95502	2.6
66.65287	2.2
67.05499	71.5
69.03412	4.6
69.07067	12.1
71.04970	4.1
71.08622	4.0
72.08135	5.4
73.02902	2.9
79.05067	2.6
79.05486	32.5
81.03393	3.1
81.07045	44.1
83.04955	3.2
83.08610	19.6
84.04477	3.5
85.06533	2.8
91.05470	30.8
93.07032	27.5
95.04942	6.9
95.08595	20.9
97.06505	4.3
97.10146	13.5
99.08062	5.0
105.07017	25.0
107.08582	22.2
109.06516	6.0
109.10143	62.4
111.08086	3.9
117.06992	10.3
119.08568	26.4
120.89503	2.6
121.06485	5.5
121.10125	9.7
123.08077	5.1
123.11709	4.0
125.09617	11.2
129.06981	5.4
131.08530	17.8
133.10118	18.7
135.07997	3.3
135.11644	6.7
137.09554	4.2
143.08553	4.9
145.10092	26.8
147.11685	12.2
149.09557	2.7
149.13239	7.0
155.10687	12.1
157.10127	5.6
159.11661	14.4
161.13232	6.9
163.11169	3.6
165.12709	2.5
169.10161	4.9
171.11548	4.2
173.11729	100.0
173.13257	6.3
183.11697	3.4
185.13301	4.2
189.11230	13.3
190.14290	3.1
195.13913	5.5
213.14854	5.3
219.17424	2.8
239.17953	6.6
257.19058	14.4
275.20059	11.8
277.18997	4.5
277.21637	20.9
285.10138	5.9
295.22614	7.7
303.10974	6.1
330.20569	3.4
348.18304	5.9
348.22021	3.3
348.26038	7.9
349.15488	4.5
349.19727	31.4
349.23758	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0702
Annotation	Adenosine 3'-monophosphate
Peak:m/z	Relative Intensity
55.93517	0.3
56.05003	0.3
56.96554	0.4
57.03421	0.6
58.06593	0.2
60.04509	0.7
61.02896	0.2
69.03425	1.8
70.04369	0.6
70.04778	0.5
70.06573	1.1
72.08141	0.4
72.93771	0.3
74.06062	0.3
81.03407	0.4
84.04492	1.0
84.08153	1.1
85.02419	0.4
85.02901	6.1
86.06059	0.3
86.09691	1.0
88.95579	0.2
91.05437	0.5
94.04037	0.3
95.04970	0.3
95.28918	0.2
95.49474	0.2
97.02883	2.1
98.97546	0.5
98.98454	1.9
102.05542	0.4
107.04955	1.8
107.20028	0.2
109.02924	0.3
111.04333	0.2
115.03952	0.4
116.98596	0.5
119.03538	0.9
119.04926	0.5
123.04417	3.3
126.05508	0.8
127.03939	0.3
129.10237	0.6
132.10268	0.3
134.99635	0.3
136.06174	100.0
137.04614	1.4
137.06552	0.5
143.05644	0.3
144.04034	0.9
145.04994	0.3
147.04407	1.1
147.11296	0.3
151.03931	0.8
154.05042	0.3
158.99783	0.2
161.01161	0.3
163.02737	0.3
164.99501	2.2
169.04971	1.9
176.08209	0.5
186.05063	1.0
188.08165	0.4
189.08704	0.7
213.01627	0.6
214.06134	0.5
217.08221	0.9
219.01633	0.3
220.41795	0.2
237.02785	0.6
265.27817	0.3
303.10825	0.4
330.05786	0.5
348.07004	7.4
348.12796	1.5
348.16403	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2218
Annotation	(+)-chimonanthine
Peak:m/z	Relative Intensity
53.03932	3.3
55.01870	5.2
55.05510	15.5
57.03439	99.4
65.03925	3.7
67.05185	2.6
67.05508	45.6
69.07054	9.7
69.80353	13.2
71.04975	3.6
79.05058	3.7
79.05493	40.4
81.03423	5.5
81.07063	34.0
83.04946	3.8
83.08627	11.2
84.08125	2.9
85.06546	19.2
89.83517	2.1
91.04909	4.1
91.05482	81.7
93.07048	35.8
95.04966	12.3
95.08614	20.9
97.06509	6.5
99.08065	2.6
103.05466	6.5
105.03427	2.4
105.07033	48.7
107.04945	10.7
107.08598	14.7
109.06512	37.4
109.10166	6.6
111.08051	5.1
115.05442	4.3
117.07011	49.6
119.08591	27.7
121.06487	3.5
121.10151	9.1
123.08046	5.2
125.05994	2.6
128.06227	10.2
129.06999	32.3
130.07805	2.3
131.08572	45.9
133.06494	6.1
133.10146	15.5
135.08051	11.0
135.11722	2.7
137.09651	5.9
141.07056	11.4
142.07787	7.2
143.08577	24.5
145.06483	8.6
145.10114	31.2
147.08047	24.9
147.11661	4.6
149.09628	6.7
155.08563	8.1
156.61800	2.2
157.10147	30.6
159.08034	5.8
159.11711	14.9
161.09653	22.9
161.13188	2.6
163.11169	3.9
168.09363	4.2
169.10115	3.6
171.11676	13.9
173.09589	4.3
173.13232	8.5
175.11195	14.0
181.10143	2.7
183.11711	14.1
185.13289	4.4
195.11751	3.3
197.13332	3.3
199.11128	4.2
199.14816	14.4
201.12775	18.1
217.15866	27.1
237.16492	6.0
255.17497	6.8
273.18463	24.0
347.22952	100.0
348.23169	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	347.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37643	2.4
53.03940	4.8
55.01882	14.1
55.05510	54.0
56.96561	10.0
57.03439	70.5
59.04952	3.2
65.03951	4.8
67.05170	4.2
67.05505	51.8
67.44743	2.5
68.31788	2.4
69.03429	5.2
69.07072	19.5
69.38271	25.1
71.05001	4.1
78.65602	2.3
79.05489	59.4
81.03407	4.1
81.07060	69.5
83.04966	6.5
83.08619	17.7
85.06529	10.9
91.05480	100.0
92.47842	2.7
93.07049	39.1
95.04958	9.6
95.08619	23.6
97.06512	5.3
97.10167	33.0
98.21494	5.3
103.05479	4.0
105.06388	3.9
105.07040	49.4
107.04926	10.3
107.08595	24.8
109.06528	29.6
109.10139	14.1
111.08112	3.2
113.09684	3.2
115.05445	5.8
116.06268	3.3
117.07019	49.5
119.04993	3.3
119.08575	48.1
121.06515	7.6
121.10130	10.3
125.09624	26.1
127.18185	2.8
128.06215	9.9
129.07011	26.4
130.07755	3.9
131.08563	48.5
133.06491	4.0
133.10167	12.6
135.08038	13.8
135.11723	4.1
141.06999	5.9
142.07846	7.6
143.08574	23.6
145.06480	6.3
145.10126	43.8
145.11179	4.8
147.08061	33.5
147.11768	4.7
149.09610	6.2
149.13312	3.9
155.08522	8.2
157.10127	19.8
159.08067	5.1
159.11722	15.8
161.09633	14.0
163.11159	6.0
169.10190	6.5
171.11667	14.7
172.89088	2.8
173.09567	4.4
173.13246	6.4
175.11159	11.4
181.10086	3.3
183.11639	6.6
185.13310	4.9
187.10951	2.9
189.11256	13.4
189.12762	4.1
195.11737	7.3
199.14880	11.2
201.12791	9.3
217.15848	27.1
227.12646	5.2
227.18016	4.0
237.16251	4.9
245.19270	3.0
255.09203	5.3
255.17416	11.9
269.10529	4.2
273.18497	38.9
291.19656	3.4
347.13226	3.6
347.18201	4.6
347.22168	29.7
367.17926	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	347.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.0
55.01870	3.9
55.05514	17.8
57.03440	100.0
65.03949	2.4
66.98679	1.8
67.05508	35.8
69.07065	9.6
69.30853	18.9
71.05012	2.6
79.05062	3.1
79.05497	38.7
80.53814	1.6
81.03426	2.6
81.07062	28.9
83.04962	2.4
83.08639	10.6
85.06543	18.4
91.05484	81.8
93.07053	30.5
95.04965	7.1
95.08617	17.0
97.06513	6.9
97.10178	3.3
98.21529	4.0
99.08087	1.9
103.05446	3.9
104.56406	1.5
105.04539	1.7
105.07037	42.9
107.04972	6.8
107.08591	15.0
109.06516	40.2
109.10174	4.8
111.08059	3.2
115.05452	6.4
116.06242	3.6
117.07024	45.3
119.04951	2.1
119.08576	26.6
121.06487	3.2
121.10154	9.2
123.08107	2.9
125.05986	2.5
125.09666	1.7
128.06212	7.2
129.07001	27.2
130.07828	2.5
131.08580	36.3
133.06459	6.0
133.10123	12.6
135.08057	12.3
135.11676	3.4
137.09589	3.9
141.06992	6.4
142.07790	4.0
143.08549	20.3
145.06470	5.9
145.10129	27.3
147.08028	25.4
147.11661	5.0
149.09631	5.0
149.13234	3.4
150.18802	1.9
153.07013	2.3
155.08543	7.5
157.10117	23.6
159.08028	3.8
159.11705	17.0
161.09634	15.3
163.11154	3.1
164.27374	2.0
167.08633	2.1
169.10176	4.3
171.11703	9.8
173.09624	5.3
173.13266	7.4
175.11185	8.3
181.10156	3.3
182.97073	1.6
183.11694	10.5
185.13145	2.1
187.11131	1.7
189.12778	2.5
195.11693	4.2
197.13277	2.5
199.14838	11.4
201.12764	13.4
211.14842	2.0
217.15886	32.3
219.13785	3.0
237.16429	4.4
255.17448	9.7
273.18518	17.3
275.16443	3.3
291.19662	2.5
308.12561	1.9
347.22217	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	347.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.7
55.05494	2.6
57.03426	1.3
57.07070	4.9
67.05477	2.9
69.07038	2.3
70.06597	4.5
70.10070	3.1
71.08620	1.4
79.05470	2.6
81.07058	4.0
83.00595	0.7
85.06564	1.7
88.07632	6.1
89.07939	2.2
91.05463	2.3
93.07026	2.4
95.08575	2.7
97.06502	1.0
97.70412	0.7
102.09168	3.1
104.60978	0.7
105.06998	1.5
107.08588	2.6
109.06504	3.3
109.10184	0.7
112.77204	0.8
119.08552	1.7
121.10143	1.8
123.08044	4.5
129.06953	1.0
131.08556	1.6
133.10156	1.0
134.91637	0.9
135.08041	6.8
135.11670	1.3
137.05945	2.9
147.07990	1.0
147.11630	1.0
149.09598	0.9
151.07599	1.8
159.11697	0.9
165.12721	2.5
177.12700	2.4
179.10406	0.9
179.14267	1.2
191.14224	1.0
193.12190	1.8
207.13756	3.5
273.18286	1.0
284.29526	1.7
285.29816	10.6
291.19492	1.1
309.81998	0.9
318.66345	0.9
319.26230	1.8
329.32593	0.8
347.21817	100.0
347.25833	23.2
347.33411	30.1
348.22250	3.5
351.64691	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47827	0.6
57.07083	0.8
67.05495	1.0
69.07053	0.8
70.84777	1.6
81.07038	1.0
95.08599	0.9
98.99953	0.7
105.06993	0.8
109.75626	0.6
135.07990	0.8
193.12161	0.7
200.28192	0.6
211.44756	0.6
235.13060	1.1
249.14583	1.0
347.21896	100.0
348.22205	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	347.2191
Annotation	Cortexolone
Peak:m/z	Relative Intensity
55.05490	1.0
56.96552	1.6
57.07059	1.3
58.06581	0.5
67.05479	0.8
69.07051	1.2
69.75364	3.5
70.04060	0.7
70.06573	1.7
70.19159	0.5
71.06900	0.6
77.15691	0.5
79.05490	1.6
81.07052	1.3
83.08572	0.6
88.07615	2.0
89.07957	0.7
91.05483	1.1
93.07025	1.5
95.04965	0.9
95.08557	1.3
98.20829	0.9
102.09175	0.9
105.07002	1.5
107.08530	1.2
109.10121	0.6
119.08562	1.1
121.10169	0.8
133.10086	1.0
135.08072	0.9
137.05893	0.7
147.11595	0.6
245.10498	0.6
256.12070	0.6
261.14621	4.3
285.29803	4.1
329.14203	0.8
347.21899	100.0
347.33386	11.6
348.21753	2.8
348.25714	1.3
365.16568	1.2
367.10074	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1313
Annotation	Nordercitin
Peak:m/z	Relative Intensity
56.43847	1.3
57.03422	1.3
60.04509	1.4
66.01102	1.2
70.06587	12.9
70.68195	2.5
70.68596	2.4
72.08157	5.9
74.06068	1.2
84.04485	3.8
84.08155	9.3
85.02881	2.6
86.09705	6.7
97.02880	2.5
103.05474	1.1
107.04922	2.2
110.07173	1.8
119.01969	1.4
119.41144	1.2
120.08069	3.4
123.43916	1.2
129.10254	5.5
130.04993	1.5
130.27209	1.3
136.06177	14.7
136.07594	1.8
146.06026	1.6
167.06818	2.8
185.04239	3.3
185.07861	14.2
203.05272	14.0
205.41382	1.4
247.93867	1.4
249.21286	1.1
285.12997	7.1
301.12579	76.1
302.13034	2.2
329.11914	1.4
331.92813	1.3
347.13104	100.0
348.13574	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	347.2191
Annotation	Cortexolone
Peak:m/z	Relative Intensity
55.05497	2.0
56.96539	1.0
57.07073	4.4
67.05512	0.6
69.07055	1.5
70.06561	0.8
81.07056	1.1
83.08620	0.9
91.05479	0.8
93.07059	0.8
95.04952	0.6
95.08587	0.8
107.08527	0.7
114.09080	0.6
117.06979	0.7
119.08550	0.8
120.00240	0.5
131.08577	0.7
135.07944	0.6
149.01184	1.1
151.38741	0.7
156.03635	0.8
192.93744	1.7
217.89540	0.6
229.43364	0.7
235.12967	0.9
236.97401	1.1
249.14677	1.1
257.22977	0.9
265.14185	0.9
312.12708	0.7
347.21893	100.0
348.04190	1.6
348.22202	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	347.1311
Annotation	Nordercitin
Peak:m/z	Relative Intensity
54.87971	0.7
55.93518	0.8
56.96559	3.2
69.03419	1.3
70.06574	2.7
70.20140	3.8
70.21113	0.7
72.08146	1.9
81.03425	1.4
83.05031	0.8
84.04469	1.7
84.08146	2.1
85.02905	3.9
86.09703	2.2
90.94836	1.0
91.05472	1.9
97.02901	1.8
98.21485	1.1
98.97579	2.4
100.07645	0.8
105.07027	2.1
107.04935	5.2
115.03288	1.3
116.07103	0.9
116.98619	2.5
119.04971	1.5
124.72101	0.9
127.03795	1.0
129.10242	2.3
130.04958	1.6
132.95909	0.9
133.06485	6.5
134.99585	1.3
136.06177	1.0
146.99693	1.5
147.04379	4.5
151.07521	3.1
157.93427	0.8
161.01221	1.5
163.03835	1.3
177.00728	1.9
185.07869	3.9
189.00613	0.9
203.05193	2.0
219.01752	1.1
220.95575	0.8
234.99023	3.0
237.02859	1.8
301.12564	12.6
317.03595	0.8
347.04242	2.6
347.13092	100.0
347.16833	15.3
348.13486	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	347.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51582	0.5
54.12434	0.5
55.05488	1.9
55.93520	7.5
56.94299	3.1
56.96548	1.0
57.03421	1.7
57.07059	0.5
65.87452	0.6
67.05483	1.8
69.03411	0.9
69.07052	0.6
69.72744	3.3
70.95858	6.3
71.92986	1.1
72.93391	0.8
72.93780	13.0
74.95349	0.9
79.05474	3.4
81.03381	1.5
81.07046	3.3
88.96900	2.8
89.94009	0.7
90.94817	10.8
91.05472	7.5
93.07014	1.4
95.04956	1.7
95.08575	1.4
104.96333	0.6
105.07007	5.0
107.04934	1.3
107.08556	1.0
108.95850	3.5
109.06485	1.3
113.96385	1.0
113.97622	0.7
115.05457	0.9
116.96326	1.2
117.07009	1.5
119.08548	1.7
126.98426	1.9
128.96323	1.7
129.06966	1.6
130.97884	1.7
131.08546	1.9
131.98628	0.7
133.10136	1.0
134.97357	1.3
136.95335	0.6
138.98367	2.7
140.99960	0.6
141.07001	0.7
142.97893	1.8
143.08539	1.8
144.95808	1.1
144.99449	2.0
145.10120	0.9
146.97389	2.1
146.98839	1.2
148.98915	2.3
149.00427	0.9
150.96838	0.5
150.98412	1.5
151.02032	2.2
152.96385	0.5
152.99992	0.8
154.97887	1.0
156.99467	1.2
158.97351	1.0
159.01054	1.2
160.98947	0.6
162.96933	1.2
164.99960	4.8
165.97144	1.3
166.97894	3.7
168.95775	0.6
168.99466	1.0
170.97432	0.6
171.01030	0.9
172.98929	1.5
175.00554	0.7
175.01938	1.1
176.98422	1.4
178.97859	4.2
179.01581	1.1
180.99432	1.9
182.97334	0.6
183.01030	0.7
183.98161	1.9
184.98978	3.0
186.01266	1.5
187.00502	1.1
189.00011	0.7
189.03658	1.4
192.99432	2.4
193.03064	0.9
195.01021	1.2
196.98962	2.0
199.00467	1.2
199.02058	1.0
200.02841	1.9
201.03645	2.6
203.01613	0.7
204.99570	0.6
205.03189	0.6
207.01154	1.3
208.99002	0.6
209.02632	2.1
211.00418	0.8
212.02873	1.3
213.01894	0.9
213.03606	4.2
214.04381	0.7
215.01512	0.9
215.03511	1.4
215.05200	2.4
217.03163	0.7
219.01105	0.8
220.98898	0.9
221.02490	0.8
223.00418	1.2
223.04083	0.8
225.03561	2.3
226.04350	1.5
227.05251	6.5
228.05447	0.8
229.06688	2.3
231.01077	0.7
235.00479	1.1
235.04276	0.7
237.01837	4.1
237.04091	0.7
237.05798	0.8
238.04347	1.3
239.05203	5.1
240.05907	1.1
241.06766	2.5
245.06308	1.0
250.04674	0.9
251.03479	0.9
253.05064	2.9
255.06781	1.8
259.06226	1.2
264.06146	0.7
267.08261	0.8
271.06204	7.7
275.07245	4.3
277.06653	1.2
279.08371	4.2
281.09787	2.0
289.08768	2.0
291.06775	0.7
294.07907	0.8
297.09369	0.9
299.10992	2.6
301.12210	1.0
305.08463	0.7
325.08752	1.2
327.10455	1.4
329.11707	3.0
345.11526	1.7
347.12994	100.0
348.13232	4.3
365.14026	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	347.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41419	1.2
50.41650	1.2
51.67035	1.0
55.05519	6.7
56.05039	13.3
57.52761	1.0
58.06607	1.3
58.99591	7.3
60.04525	1.7
61.01147	2.1
62.06073	1.2
64.61023	1.1
67.05518	2.5
68.05026	3.8
69.07058	2.0
70.02969	1.8
70.06592	15.5
71.58560	1.6
72.04505	1.7
72.08159	11.3
73.01129	1.8
74.00650	9.8
76.02232	9.0
76.04007	1.8
79.05496	6.9
80.05008	3.0
81.03416	8.4
81.07056	7.9
82.06567	2.0
83.06087	1.4
84.04047	1.3
84.04504	13.7
84.08149	14.8
84.73882	1.0
85.01131	9.4
85.02905	1.5
86.00653	44.1
86.02409	1.2
86.09701	11.8
86.99062	1.5
87.02681	4.2
87.58003	1.1
88.02232	5.6
88.03987	2.6
91.05475	4.2
93.07038	2.5
95.04984	2.2
95.08608	5.1
96.08145	2.1
98.09689	20.2
98.98476	2.2
100.02200	2.2
102.05547	7.3
105.07034	4.6
107.04963	5.2
107.08599	1.2
110.07169	4.0
110.09669	3.9
110.91048	1.0
112.03998	4.6
112.11240	1.4
113.04236	19.4
114.03786	1.9
115.03273	7.9
115.05805	3.6
116.01688	7.8
116.07024	1.6
119.04932	1.4
120.08134	6.4
122.09711	6.1
123.04411	1.2
123.08103	2.5
124.03940	1.6
127.05824	2.0
129.10228	6.5
130.05006	5.1
130.06825	4.1
130.08604	2.3
131.08565	1.3
136.06197	3.8
136.07504	2.2
139.05765	2.3
143.02788	2.7
144.01201	1.3
144.08057	2.0
145.06078	2.1
146.02574	1.1
146.06032	3.3
155.00972	2.7
156.08429	74.2
156.10205	17.4
157.08728	1.4
158.06006	2.7
162.02225	2.5
169.08528	1.4
172.05473	1.1
172.07516	1.6
184.07423	1.6
187.10661	1.1
189.03351	3.9
193.12259	3.8
198.09477	11.2
216.06860	5.4
218.05951	5.8
226.08966	59.8
227.09265	1.5
242.08432	1.6
244.07526	2.4
244.10043	46.9
245.10193	1.3
254.08568	7.7
259.11118	100.0
260.11475	4.3
272.07013	1.6
303.20035	2.2
311.10349	2.1
329.11572	5.7
329.21091	1.7
347.12756	6.5
347.22260	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	347.1233
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
54.85586	0.6
55.01865	2.7
56.05040	0.7
60.04522	1.1
65.03949	4.3
67.05497	6.8
68.05020	0.6
68.61865	0.6
70.06580	4.1
70.85857	2.1
72.08139	2.1
74.00651	0.8
79.05475	1.4
81.03398	1.6
81.07036	1.7
82.06596	1.0
84.04497	1.4
84.08141	1.8
86.06034	0.6
86.09709	2.3
91.05481	1.7
92.04998	12.7
93.07040	1.4
94.06531	1.4
95.04977	3.2
96.04501	1.5
97.06487	0.7
98.60563	0.7
103.05440	0.6
107.04939	7.6
107.12585	0.6
108.04492	1.3
108.08131	0.6
110.06004	1.5
120.04454	7.1
120.08080	1.8
121.06433	0.7
122.06027	2.3
123.04462	0.7
127.03884	0.7
129.10231	1.6
130.04939	0.6
134.05994	2.9
136.06207	2.1
136.07585	1.8
137.05965	1.0
138.05482	14.0
146.06024	1.4
148.03978	0.8
153.06920	1.5
155.08469	0.8
162.05522	1.0
164.07060	8.6
166.04999	10.1
166.06332	1.3
170.06064	0.7
170.09644	2.4
172.07515	1.7
176.07106	1.6
182.06476	1.1
182.08116	8.1
183.06831	1.7
184.07672	0.9
184.11237	0.8
185.10741	1.9
186.09177	1.5
187.08714	1.0
193.12233	1.0
196.07565	2.1
198.07640	1.1
198.09190	9.3
199.08585	3.4
200.09335	1.8
200.37129	0.7
201.10287	1.5
208.06075	2.9
208.13309	0.8
210.09183	1.8
212.07127	1.1
212.10770	3.1
213.06622	1.6
213.10220	7.9
214.08621	2.5
214.10895	1.9
215.08134	2.1
223.08717	1.0
224.07135	0.7
226.08673	16.8
227.08104	6.8
227.11815	1.8
228.08803	1.4
229.09729	1.5
231.11296	1.1
237.10133	1.1
238.08540	1.6
239.11702	0.7
240.10258	5.0
241.09720	26.3
242.08127	1.8
242.10437	3.9
243.11096	0.9
251.08199	0.7
255.11263	5.8
256.09702	3.9
257.19608	0.7
258.11285	2.0
259.10822	6.2
260.11566	1.3
265.09717	2.2
266.08084	1.2
267.11353	3.3
268.09698	8.0
269.09180	7.1
270.07480	0.7
273.12384	1.7
275.10181	0.8
283.10779	7.3
284.09045	3.9
286.10745	5.1
287.10229	15.6
293.09064	1.3
301.11838	18.0
302.10175	0.9
303.19751	0.8
311.10205	5.5
312.08508	0.9
319.12857	6.0
329.11240	5.8
330.09708	1.0
347.12369	100.0
347.21686	4.3
348.12845	5.0
348.20190	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.8
55.01877	3.2
55.05506	6.2
56.94316	1.2
56.96559	8.2
57.03427	5.2
57.07060	1.6
61.02920	3.7
61.46899	1.2
65.03943	1.3
67.05500	15.8
69.03423	3.4
69.07056	7.9
69.65797	4.5
69.66226	5.1
70.04075	100.0
70.06586	1.6
70.95853	1.4
71.04977	2.4
72.08127	1.6
72.93769	3.6
73.02916	2.2
74.56402	1.2
74.97233	1.3
77.76080	1.2
79.05492	12.4
81.03416	7.0
81.07057	15.2
83.04958	2.9
83.08610	4.7
84.08138	1.9
84.96049	2.1
85.02897	4.9
85.06538	2.1
90.94826	1.5
91.03951	3.0
91.05475	12.8
93.07040	11.9
95.04948	9.8
95.08595	8.1
97.02901	2.7
97.06536	2.9
97.10167	2.5
98.20721	1.7
98.97581	18.3
99.04430	1.8
99.47872	1.4
105.07047	7.8
107.04945	6.8
107.08574	9.2
109.02847	1.4
109.06489	2.6
109.10150	5.7
111.08083	1.4
115.07609	2.0
116.98622	16.7
117.07014	4.0
119.01883	1.3
119.08567	6.0
119.09946	1.4
121.06512	4.9
121.10136	5.8
122.09661	1.6
123.08031	2.6
124.08651	2.2
125.01581	1.4
125.09634	1.4
126.09155	2.1
128.06168	1.5
129.07007	2.7
131.00172	5.5
131.08537	4.3
133.06436	1.7
133.10118	6.0
134.99695	8.3
135.08011	1.7
135.11696	1.8
140.98637	1.3
143.08560	3.4
145.10106	3.3
146.97397	1.6
146.99599	1.6
147.08058	1.4
147.11664	3.6
149.01236	8.1
154.06860	2.3
157.10088	2.6
158.99640	6.8
159.11661	2.9
160.97487	4.1
161.13231	1.9
167.02318	1.6
173.01248	7.3
173.11746	5.3
173.13159	1.8
174.96973	1.3
177.00711	14.4
184.10907	2.1
191.02315	8.8
193.12337	3.2
195.01794	2.3
195.13751	6.3
200.07370	7.1
201.00662	1.9
202.98631	3.6
213.14873	6.0
214.03760	2.1
219.01814	5.4
219.75186	1.3
229.08861	1.6
235.16933	3.4
244.99728	5.8
247.08667	2.7
263.00775	3.1
271.05881	1.4
273.18491	2.0
275.20111	9.4
283.06143	1.9
346.20242	2.8
347.13049	3.6
347.18103	3.9
347.22226	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	346.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09303	14.3
55.05504	37.6
56.03311	15.9
57.03436	24.3
66.22609	16.1
67.05495	65.1
69.07076	23.3
69.85346	100.0
74.47633	18.9
79.05514	25.8
81.07043	43.8
83.08615	18.1
91.05496	32.4
93.07043	26.9
95.08599	24.1
105.06996	25.5
106.11221	15.9
107.08597	18.5
109.10212	18.5
114.44507	18.1
117.07052	25.0
131.08577	21.6
157.10001	22.5
173.11812	44.1
180.70381	16.4
197.07874	17.1
275.20135	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.9
55.01875	1.3
55.05504	6.9
56.96539	5.8
57.03422	3.8
57.07060	1.8
60.04505	1.5
61.02919	1.8
67.05225	1.2
67.05503	14.1
69.03410	2.2
69.07064	11.2
70.04071	100.0
70.50641	5.0
71.04995	2.3
73.02912	2.2
75.20332	1.1
79.05483	11.6
81.03407	4.3
81.07050	18.1
83.04951	1.8
83.08598	5.1
84.08128	1.6
84.50523	1.2
85.02901	2.5
85.06519	2.1
91.03969	1.9
91.05464	12.3
93.07036	12.1
94.07393	1.4
95.04979	6.7
95.06059	1.9
95.08593	8.3
95.09060	1.0
97.02879	2.6
97.06522	2.6
97.10161	1.9
98.97575	18.9
99.08060	1.9
105.07008	6.5
106.74482	1.1
107.04957	5.8
107.08568	7.1
109.06490	2.9
109.10152	5.5
115.07536	1.4
116.98610	15.6
117.07001	3.0
119.08563	7.0
121.06494	4.5
121.10126	5.5
123.08080	1.9
124.08657	1.6
127.03893	1.3
129.07022	1.7
131.00168	5.4
131.08566	3.9
133.10075	6.5
134.99673	12.1
135.11638	3.3
140.00179	1.9
143.08533	2.3
145.10095	3.2
146.99590	1.2
147.08089	1.5
147.11688	2.6
149.01183	9.2
149.09531	1.8
149.13263	2.5
153.00684	2.1
157.10097	2.3
158.99586	5.7
159.11734	3.0
160.97417	4.3
162.99110	1.4
167.02217	1.9
171.11674	1.4
173.01282	6.8
173.11736	3.7
173.13144	1.4
177.00708	12.6
177.12714	1.6
181.27295	1.4
191.02260	11.7
195.01668	1.5
195.13739	6.1
200.07382	4.4
201.00697	2.1
201.16357	1.6
202.98627	5.6
211.13348	2.1
213.14708	6.3
213.16637	1.3
216.06882	2.6
217.07449	1.6
219.01598	6.0
220.99554	1.5
229.07314	2.1
235.16916	2.3
244.99803	7.3
247.08485	1.8
257.19003	2.2
263.00681	2.6
275.20071	9.5
329.20685	1.4
346.04129	1.9
346.20352	1.8
347.18152	4.3
347.22284	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	346.2013
Annotation	(R)-bevantolol
Peak:m/z	Relative Intensity
50.98515	0.4
51.02371	0.4
53.03943	1.6
55.01867	1.4
55.05498	2.0
56.96547	1.1
60.04524	2.5
61.02909	0.5
65.43154	0.3
67.05514	2.8
69.03423	0.4
69.07052	1.3
70.02678	0.4
70.04071	0.4
70.06586	1.0
70.73165	0.9
71.04953	0.5
72.08140	0.5
79.05487	1.5
81.03412	0.9
81.07047	2.5
82.06573	2.1
83.04968	1.1
83.08614	0.5
84.04486	2.7
84.08138	1.0
85.02903	0.9
87.04458	0.4
90.54683	0.4
91.05476	9.8
93.06463	0.7
93.07039	13.0
94.06573	0.5
94.07355	0.5
95.04962	3.9
95.08610	1.4
96.04475	0.4
97.10160	0.5
97.75068	0.4
97.96844	0.4
98.06061	2.2
98.97596	0.9
99.04477	0.4
100.07623	0.4
103.05473	9.4
105.04561	0.6
105.07034	1.2
107.04948	9.0
107.08600	1.0
108.05273	0.5
108.08162	0.5
109.02911	0.4
109.06509	0.4
109.10175	0.9
110.06031	12.0
110.10432	0.4
111.04424	1.0
111.08066	0.7
116.98634	0.9
119.01794	0.4
119.08546	0.9
119.85741	0.4
121.06496	100.0
121.10123	1.1
122.06024	0.8
122.06834	2.0
124.07606	0.5
126.09160	0.7
131.00168	0.4
131.08556	0.9
133.06454	0.6
133.10136	0.5
134.06032	1.0
136.07545	0.5
137.05933	0.9
138.09122	3.3
145.10146	1.0
149.09669	0.5
152.14412	0.6
153.12650	0.6
161.02969	0.5
162.12778	0.6
163.11183	0.9
164.80586	0.4
166.12312	0.9
173.11797	0.7
174.09189	1.4
176.10695	0.5
180.13789	2.9
184.13394	0.6
190.12277	2.8
191.02284	0.6
208.13310	26.3
209.11766	0.6
209.13667	1.0
226.14381	14.1
227.12721	0.4
229.07451	0.6
240.10216	0.7
244.99771	0.5
302.17477	2.1
328.19174	1.3
328.24722	0.4
346.20093	33.0
346.23709	2.2
347.20450	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.2
55.01867	0.3
55.05511	0.4
55.89678	0.2
56.05020	0.4
56.96548	0.3
60.87554	0.2
64.97856	0.2
66.20680	0.2
67.05502	1.0
69.03438	0.5
70.06586	1.3
70.47143	0.7
72.08156	1.1
79.05473	1.0
80.05023	0.3
81.03416	0.9
81.07049	0.8
82.06570	0.4
83.04990	0.4
84.04488	0.6
84.08135	0.6
85.02902	0.3
86.06048	1.1
86.09688	0.8
87.04456	1.2
91.05483	0.9
92.04992	0.5
93.07019	0.5
95.04964	1.1
95.08568	0.3
96.08140	0.2
97.02921	0.3
97.06526	0.3
98.06033	0.8
98.97584	1.7
100.07598	0.3
102.05562	0.3
104.07098	0.9
105.07008	0.5
107.04950	100.0
108.05277	1.4
110.02722	0.4
112.07593	0.3
116.07069	0.3
116.98618	1.6
118.08636	0.4
119.08620	0.3
120.04445	0.4
120.08073	0.3
121.06522	0.4
124.07600	0.5
130.08678	0.3
131.00218	0.4
134.08115	2.1
134.99695	0.6
135.08115	0.2
137.28137	0.2
140.07013	0.3
142.08615	0.2
149.01210	0.4
158.99655	0.6
160.97591	0.3
166.08588	0.4
169.07599	0.3
173.01239	0.5
176.98355	0.2
177.00760	1.0
191.02377	0.6
193.12315	0.5
196.09892	0.2
198.09334	0.2
201.00685	0.2
202.98694	0.3
211.13309	0.7
213.08983	1.3
219.01712	0.4
226.08727	0.4
238.17987	1.5
241.09746	0.9
244.99608	0.3
256.19031	2.1
269.09293	0.3
284.15186	0.6
284.18539	0.5
287.10226	0.3
301.11777	0.3
302.19858	1.3
310.16440	0.3
319.12927	0.3
328.17529	2.0
328.21246	0.6
346.09146	0.2
346.16852	0.7
346.21933	1.0
347.12454	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	346.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.8
54.97633	2.7
59.05737	2.7
60.04525	4.7
69.03419	8.6
70.06597	18.3
71.56898	3.0
71.57272	3.3
72.08159	36.0
74.06091	4.1
78.03613	2.5
79.05495	9.2
79.96421	2.4
81.03408	3.9
84.04529	6.3
84.08140	10.2
85.02899	23.9
86.09702	28.2
88.92649	2.3
91.05524	3.4
93.07068	3.7
94.06590	3.2
95.04976	12.3
97.02910	7.9
103.54330	2.8
107.04957	100.0
108.05298	2.8
109.02884	2.9
110.09561	3.2
120.08125	25.9
121.06516	4.4
123.04430	19.1
124.07567	6.0
125.05994	30.6
127.03923	7.3
129.10240	4.1
130.19186	2.8
131.04941	4.6
133.05205	3.9
136.07581	20.2
138.09152	4.6
148.07584	31.3
149.05992	12.3
149.96175	2.9
166.08652	37.4
167.07066	4.7
184.09708	31.8
185.16493	14.9
213.16040	2.8
231.21265	2.9
260.10449	2.7
346.14587	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	346.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41139	2.3
53.03947	6.4
55.01855	4.0
56.05043	2.9
57.03426	4.3
60.04522	3.9
61.02920	7.0
63.53164	2.5
67.05503	3.3
69.03428	15.9
69.95837	12.9
70.06593	10.1
70.91350	2.3
73.02901	3.6
79.05497	11.5
80.05028	2.5
81.03430	8.2
84.04505	4.8
84.08155	4.2
85.02901	34.1
86.06033	3.7
89.88438	2.6
91.05480	5.5
93.07048	6.0
94.06575	5.8
95.04961	22.9
97.02885	11.2
97.06564	3.9
98.97584	3.7
103.05508	3.1
107.04951	100.0
108.05278	2.8
108.08118	7.4
109.02891	8.0
110.06094	4.5
110.09706	2.8
111.04433	38.0
119.04937	3.2
120.08093	26.7
121.06503	14.0
123.04417	27.8
124.07596	8.7
124.11229	2.8
125.05985	45.2
127.03986	6.3
131.04950	4.9
136.06149	6.1
136.07574	37.7
137.05904	2.8
138.09158	7.3
140.07031	4.6
145.04973	3.8
148.07559	21.4
149.05975	13.7
166.08641	74.7
167.06990	5.6
177.00900	2.5
184.09674	47.6
235.38664	3.0
274.57953	2.4
298.78131	2.7
346.15137	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	345.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67122	0.4
56.05029	1.4
60.04520	0.4
70.06604	2.6
70.83447	1.0
72.08150	0.9
73.66415	0.4
83.06081	1.8
84.04495	0.6
84.08121	1.8
86.03548	2.3
86.09713	0.6
86.88988	0.5
95.06087	1.7
96.04523	0.5
100.91999	0.4
104.05003	0.8
105.03371	0.9
105.05773	1.3
106.06539	0.8
111.05556	4.6
120.04475	3.4
123.05536	1.5
125.05841	0.9
126.06622	3.4
129.10249	1.5
130.06558	0.4
132.04454	25.6
132.08096	1.0
132.61685	0.5
134.06018	5.0
137.04724	3.0
146.02371	0.5
147.04335	0.4
148.03877	0.9
150.05499	3.3
151.06149	14.2
158.05978	0.5
160.07657	0.5
166.07185	0.7
174.07912	0.6
177.04135	0.7
187.08647	0.7
188.11809	0.4
194.06720	4.1
195.07520	0.6
202.09767	1.8
203.08147	1.2
208.08253	0.4
214.09531	0.5
215.08321	0.4
216.11279	0.5
227.09262	0.6
230.09276	1.2
231.07724	2.3
232.10796	1.7
242.09238	4.4
255.08957	0.5
257.10321	6.1
259.11893	11.0
284.11432	4.1
301.14056	1.0
302.12454	18.2
313.66653	0.5
327.11987	3.2
345.13052	100.0
346.13333	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77468	2.3
53.03936	3.4
55.01871	3.1
56.05029	2.9
57.03431	6.6
60.59719	2.2
61.02920	8.4
67.05506	2.5
69.03419	17.0
69.92134	7.9
69.92558	4.0
70.06602	13.6
71.04993	3.9
72.08147	6.9
73.02915	3.2
74.02434	6.7
75.54693	2.0
79.05468	3.5
81.03421	6.6
81.56316	2.8
84.04493	4.0
84.08154	6.0
85.02900	73.0
86.09704	10.1
87.04473	3.0
87.05595	9.1
91.03953	3.7
93.07013	3.1
95.04955	6.0
97.02881	24.6
98.05984	3.1
98.20805	3.2
99.04425	4.4
107.04951	100.0
108.05283	11.0
109.02895	7.7
115.03924	3.8
120.08075	4.1
121.06469	4.3
121.40801	2.0
123.00288	2.0
123.04427	7.1
124.07569	2.2
125.05985	4.2
127.03906	20.5
127.18121	2.0
133.05092	1.9
133.06084	44.7
134.06447	8.9
136.07561	5.5
137.05962	3.1
138.09123	4.8
145.04933	25.3
148.07555	10.7
149.05965	22.5
163.05969	3.9
165.09186	2.4
166.08653	20.0
167.07060	8.5
173.06038	3.1
180.08669	7.5
184.09644	19.1
185.07829	4.2
203.05330	5.4
215.07016	6.9
225.11050	2.6
240.10637	3.9
247.99956	2.5
255.44096	2.2
257.08044	2.6
275.09250	2.8
285.13150	5.1
301.12582	36.5
346.14883	6.5
346.21893	3.9
347.13049	56.7
347.16736	5.3
356.86209	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	345.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	1.0
58.02837	0.8
64.07618	0.8
68.05048	0.9
69.03401	1.3
70.06580	4.0
71.59736	1.3
72.08160	1.1
73.45982	0.8
77.58740	0.7
79.05495	1.2
81.03409	1.0
84.04494	12.3
84.08138	2.3
85.02893	3.3
86.09675	1.9
92.01697	16.9
96.04492	5.4
98.97580	1.0
100.07612	3.2
107.04204	1.9
107.04948	51.3
110.02729	100.0
110.07137	1.1
111.05545	2.0
111.06773	2.0
111.09197	1.1
116.98561	1.1
120.04455	1.1
120.05296	1.0
120.62639	0.8
126.06622	1.0
130.04979	3.7
132.04434	7.1
134.05986	1.7
134.99670	0.9
137.04643	0.8
137.05989	0.8
147.04370	4.0
148.04800	5.2
148.05894	1.2
151.06172	3.0
156.06494	1.7
157.07333	1.9
158.02751	3.8
165.05467	2.0
166.05846	2.3
176.03717	5.3
189.06346	1.2
216.06862	5.5
221.05954	1.5
222.04295	6.6
239.06949	14.8
242.09291	1.9
257.10272	1.7
259.11893	2.7
282.07864	2.5
302.12433	4.7
327.12030	1.2
328.08362	3.1
345.13379	24.8
345.22113	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	0.5
58.06590	0.4
63.80826	0.3
63.96808	0.2
68.59048	0.2
69.00890	0.4
69.03421	0.3
69.07057	0.4
70.06577	1.0
71.59524	0.5
72.08146	0.3
75.67847	0.2
79.05503	0.6
81.04543	0.3
83.06091	1.7
84.08125	0.4
86.03542	1.8
86.09687	0.5
86.98110	0.2
91.05460	0.5
95.06082	1.7
96.04489	0.4
104.04975	1.0
105.03358	0.5
105.05763	0.6
106.06532	1.1
107.04942	1.3
111.05549	4.9
113.07124	0.5
116.98630	0.2
117.05746	0.4
120.04460	3.1
121.02856	0.5
123.05541	0.7
123.06741	0.3
124.05067	0.5
125.05849	0.7
126.06628	2.6
127.05044	0.4
130.06477	0.6
132.04443	25.0
132.08055	0.9
133.05235	0.5
134.06003	5.5
137.04668	2.6
137.05785	0.6
138.06573	0.3
140.08189	0.6
146.02319	0.4
148.03920	0.6
150.05479	4.3
151.06136	12.6
152.04558	0.4
158.05962	0.4
159.05495	0.3
166.07280	0.9
174.06636	0.3
174.07933	0.3
177.04048	0.7
183.44849	0.3
185.07104	0.4
187.08688	0.8
194.04948	0.2
194.06712	4.6
195.07527	1.0
196.04253	0.3
202.09737	2.0
203.08186	1.3
204.06561	0.6
206.06844	0.5
208.08257	0.3
214.09789	0.4
216.11292	0.9
230.09282	1.8
231.07668	1.6
232.10748	2.3
233.07986	0.3
233.13954	0.4
242.09207	5.2
252.09091	0.3
255.08813	0.4
257.07654	0.4
257.10315	5.5
258.08627	0.6
259.11887	12.4
274.12936	0.4
277.12943	0.6
284.11353	3.0
285.11426	0.4
301.14139	0.6
302.12442	18.5
327.11972	2.6
345.13025	100.0
346.13248	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	345.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80586	0.7
54.55323	0.7
70.83091	2.1
72.62235	0.7
82.53457	0.7
98.97556	1.0
101.00904	0.9
116.98565	0.9
119.01929	6.7
134.99719	1.4
137.02975	3.5
142.03482	0.8
153.00922	1.0
171.01381	1.0
176.98445	0.9
177.00961	14.9
178.01036	1.8
179.00749	1.2
182.99945	1.5
197.78249	0.6
201.00932	4.2
216.98834	0.8
218.03500	0.9
219.02014	100.0
220.02092	6.4
221.01753	2.0
229.04178	1.0
235.00035	8.4
236.00130	1.5
240.36368	0.7
240.99049	0.9
242.03593	5.7
242.99634	0.7
243.01999	1.9
253.01031	2.7
255.01935	2.8
256.96616	13.1
257.96671	1.7
259.00006	12.0
260.00095	3.5
260.96057	1.0
261.00140	1.6
261.03009	9.5
262.03137	1.6
263.02893	1.4
273.03043	2.0
274.97684	4.8
277.01041	17.7
278.01071	3.6
279.00690	1.4
279.98294	1.7
280.96555	1.1
282.97260	0.5
282.99994	19.6
284.00015	3.7
284.99905	1.9
298.97702	33.6
299.98013	1.3
301.01050	46.9
302.01190	8.7
303.00922	3.0
314.95844	0.9
316.95560	1.6
319.02121	3.8
321.05225	1.0
321.99310	5.1
324.02802	1.6
325.93936	1.1
328.44287	3.9
328.94272	2.0
329.44098	0.9
339.45721	1.5
339.95462	1.7
340.45233	1.1
344.94852	2.1
345.02017	1.7
354.93689	1.3
356.96820	1.8
357.96744	3.2
362.96359	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03033	7.8
55.05508	16.2
56.96562	12.2
58.92678	7.8
60.04518	11.7
67.05491	36.9
68.01286	8.9
69.07063	18.5
70.06590	28.1
71.59272	17.3
79.05492	33.6
81.07046	35.4
84.08143	18.5
86.09690	9.5
91.05489	23.7
92.24178	7.7
93.07063	40.4
95.04971	15.7
95.08609	36.7
102.27462	8.4
105.07018	24.3
107.04945	30.6
107.08594	23.8
108.36643	8.4
109.06508	8.7
117.06950	10.4
119.08583	27.7
121.10134	21.0
123.08068	17.4
129.10225	10.7
131.08536	12.0
132.08858	12.7
133.06435	13.6
135.08069	9.5
137.09593	12.1
143.81938	7.8
145.10098	23.3
147.08034	16.1
157.10098	17.6
159.11641	10.4
161.09552	11.8
163.11160	58.4
165.08945	11.9
175.11356	12.8
184.50778	8.0
234.94864	9.0
255.17447	19.3
273.18475	100.0
291.19510	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.6
55.01866	5.5
55.05509	15.2
56.96566	3.1
57.03428	14.0
57.07067	5.1
67.05501	30.0
69.03429	4.3
69.07065	39.2
71.04988	12.0
71.33887	7.0
79.05489	38.8
81.02981	3.3
81.03409	15.6
81.07053	28.0
83.04990	4.8
83.08611	7.8
84.08120	3.3
85.06575	3.3
91.05460	19.8
93.07034	19.5
95.04983	17.1
95.06064	5.1
95.08597	15.5
96.64743	3.0
97.02866	3.5
97.05906	5.9
97.06525	100.0
97.07146	6.8
103.60032	3.2
105.07027	17.7
107.04951	9.2
107.08579	17.2
109.06513	7.8
109.10144	6.4
115.07557	22.6
117.07014	10.1
119.08598	12.1
121.06530	5.5
121.10136	7.9
125.64326	3.6
129.07025	4.3
131.08565	11.9
133.10115	11.0
134.24109	3.0
135.08044	4.7
135.11700	7.4
145.10153	8.1
149.13306	4.7
157.39439	3.6
158.97565	4.6
159.11687	8.9
171.11671	3.8
175.11127	4.6
177.12743	7.5
180.63893	3.7
186.12802	3.4
195.13841	4.8
214.15907	5.2
275.05505	3.1
276.84216	3.3
277.28381	3.6
291.19531	6.9
344.21973	5.7
344.25870	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	344.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.8
55.05495	34.5
56.96552	17.0
57.07057	8.4
58.00703	8.3
67.05497	85.8
69.03415	17.4
69.07062	60.5
70.04070	52.8
70.92184	25.1
71.04977	16.6
79.05494	68.9
81.03410	24.1
81.07047	89.4
81.38017	8.7
83.04951	18.9
83.08604	11.7
84.08125	11.2
85.02868	11.5
91.05477	55.2
93.07054	52.9
95.04953	25.9
95.06098	17.0
95.08611	100.0
96.08893	9.6
97.06512	18.2
98.97559	18.3
105.07012	46.1
107.04977	43.4
107.08570	47.4
107.99824	8.4
109.06503	17.8
109.10139	30.6
117.07016	13.8
119.08546	39.5
121.06525	20.5
121.10138	25.0
123.08054	28.3
123.11652	10.0
125.09615	12.0
131.08543	19.0
133.10130	28.7
134.99664	12.2
135.08051	13.6
135.11700	9.7
145.10092	21.8
147.11696	17.4
149.09552	10.7
151.11200	10.4
157.10159	11.7
158.49063	8.9
158.97598	23.6
159.10178	26.6
159.11644	17.2
161.09630	9.8
163.11185	11.1
169.12239	13.0
171.56201	9.2
206.92538	13.1
211.13292	14.2
239.16380	9.5
256.08191	12.3
263.20044	25.9
270.09903	11.2
291.19482	18.8
309.20712	16.4
313.11899	15.3
344.11395	10.5
344.25912	39.1
345.13412	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	37.1
61.13969	20.0
67.05495	81.3
69.07082	34.1
71.04998	27.5
71.08638	19.6
79.05492	99.5
81.07072	100.0
91.05460	46.1
93.07030	70.7
95.04956	26.3
95.08593	61.6
97.06551	39.5
105.06994	39.6
107.04964	29.9
107.08572	43.8
109.06492	34.1
115.07565	23.6
117.07022	45.3
119.08607	32.4
121.10130	24.7
131.08591	38.9
133.10124	37.4
145.10127	22.0
173.13252	20.1
175.11191	23.6
187.04631	18.2
222.22577	21.2
268.96500	20.9
329.97763	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	11.5
55.05489	30.8
56.96564	15.0
57.03427	15.5
58.43736	8.6
67.05507	71.6
69.03409	17.9
69.07070	52.4
70.04077	49.6
70.06588	14.1
71.04973	23.1
71.59677	11.6
71.87708	9.3
79.05489	63.8
81.03417	20.6
81.07049	100.0
82.07410	12.0
83.08611	17.7
85.02891	15.2
85.06580	11.5
91.05484	60.6
93.07023	45.1
95.04965	29.8
95.08606	88.2
96.08942	9.8
97.06524	19.5
97.10168	11.2
98.97581	14.6
99.08083	11.5
103.05470	11.0
105.07024	48.1
107.04938	37.1
107.08576	38.7
109.06531	25.1
109.10136	37.4
116.98589	21.2
119.08553	26.6
121.02917	9.5
121.06490	19.4
121.10127	26.8
123.08044	30.1
123.11680	14.0
125.09635	11.9
131.08588	13.2
133.08575	10.5
133.10098	31.5
134.99661	25.8
135.08061	10.0
135.11707	15.5
139.11237	9.6
145.10056	19.5
147.11699	24.1
151.11201	12.7
157.10164	11.2
158.97597	21.4
159.10057	20.0
163.11111	15.0
173.13405	8.2
183.13795	10.2
191.40549	10.0
193.12306	9.5
221.15477	8.2
256.08505	9.8
263.20062	21.3
266.94891	12.2
291.19540	14.6
298.49854	9.2
327.12946	10.6
344.26120	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05061	7.2
53.03944	10.2
55.01858	19.7
55.05506	51.6
56.96558	8.3
57.03417	20.1
67.05502	84.8
68.95982	6.9
69.03415	18.6
69.07052	36.6
70.04070	15.5
70.48402	7.5
71.04974	23.4
71.11557	9.2
71.11893	13.5
71.26954	8.3
78.02814	7.5
79.05482	91.4
81.03411	28.0
81.07052	100.0
83.04953	20.1
83.08598	32.4
85.02878	15.5
87.04450	14.3
91.05474	79.5
93.07053	76.2
95.04970	39.2
95.08617	50.4
97.06536	17.3
97.10175	14.4
99.08091	7.8
104.99228	8.0
105.07001	38.4
107.04937	17.7
107.08603	40.4
109.06502	19.3
109.10140	31.4
109.42400	9.5
111.08070	22.2
114.09113	10.7
119.08569	34.6
121.06499	20.3
121.10112	55.6
123.08033	14.3
124.19140	9.9
125.09603	17.9
131.08548	19.4
133.10112	44.0
135.08078	15.4
135.11659	20.2
137.09584	13.9
145.10100	18.0
146.10493	13.5
149.09586	21.6
157.10081	9.0
159.11682	9.9
167.10649	17.1
175.11115	13.1
179.10663	9.2
214.15990	10.8
228.59352	9.6
257.09930	8.6
258.22150	55.5
291.19321	9.1
344.25839	94.5
345.09995	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	344.228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62906	1.9
55.05501	12.6
56.05033	11.0
58.06592	2.1
60.04527	7.0
66.85346	2.0
67.05497	4.1
69.07066	5.9
70.02941	3.4
70.06592	61.5
70.10903	6.6
70.11308	4.6
71.04955	3.1
71.06918	2.2
72.08158	54.2
74.06084	5.2
75.85681	1.9
79.05475	2.9
80.05041	3.5
81.03413	4.0
83.06128	1.8
83.08609	2.8
84.04505	20.7
84.08142	41.7
85.02916	8.4
85.08481	3.0
86.09703	59.8
87.04511	2.4
87.05579	4.7
87.10074	3.0
88.03988	6.2
89.06031	100.0
91.05471	3.0
95.06088	3.2
97.77359	2.0
99.04472	1.8
100.67401	2.0
101.00650	2.3
102.05537	5.5
107.04958	8.7
107.07067	4.7
108.05256	2.0
109.02899	2.8
110.07176	9.4
112.08719	3.8
114.05515	2.3
115.05040	2.7
115.08678	4.2
116.01654	2.5
116.07084	3.7
117.06947	1.9
119.08511	2.2
120.08115	8.0
121.06544	2.4
129.10237	26.7
130.05022	3.6
130.06532	2.2
130.08630	2.4
130.10550	2.8
132.04436	2.2
132.10194	2.3
133.08607	60.1
136.07593	4.1
137.02837	2.5
141.10271	2.7
142.03249	19.5
142.04968	2.0
143.11816	4.7
147.11269	2.4
155.11848	3.2
156.07761	3.1
162.02229	4.7
170.02725	5.0
177.11241	17.5
182.08234	2.0
184.07370	2.3
186.12474	6.7
189.12532	2.5
201.12346	2.5
214.11769	3.0
239.14934	4.4
245.05991	2.2
251.06557	2.1
283.17505	4.4
284.65942	2.3
326.19388	2.1
327.20132	19.3
329.68948	2.0
345.12085	8.0
345.22043	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	344.2221
Annotation	Polysignine
Peak:m/z	Relative Intensity
53.03915	0.4
55.05459	1.5
55.05696	0.5
56.05022	0.4
56.96514	1.3
57.03395	0.5
58.53858	0.3
67.05451	1.5
69.03382	0.7
69.07069	2.1
70.06540	0.7
70.38513	1.1
72.08091	1.1
79.05490	5.2
80.04967	1.0
81.03361	0.6
81.07050	2.8
83.04978	0.5
83.08562	1.1
84.08098	0.5
84.96004	0.4
85.02860	0.7
86.09666	0.4
91.05473	5.0
93.07035	3.6
94.06501	1.0
95.04913	0.9
95.07298	0.4
95.08591	2.5
98.06003	0.6
103.05457	11.6
105.07021	3.1
107.04951	9.5
107.08587	2.6
108.08109	17.3
109.06487	0.4
109.08846	1.1
109.10101	0.9
110.06014	0.4
110.09619	1.6
115.05392	0.5
116.98580	0.5
117.06952	0.5
119.08530	0.7
120.08108	3.7
121.06477	0.8
121.08816	0.5
121.10116	0.7
122.06000	0.4
122.09664	9.6
123.10384	1.5
123.11672	0.4
126.36008	0.4
129.06905	0.4
130.05713	0.3
130.06517	4.2
131.04022	0.4
131.04927	5.7
131.08492	0.5
132.08032	1.4
133.10095	0.7
134.09624	1.0
135.11697	2.4
136.07523	0.6
136.11206	4.9
137.13225	0.6
138.09076	0.9
140.07010	0.5
144.07971	0.4
148.07576	0.5
148.11174	0.6
149.05943	0.6
150.12773	25.8
151.13570	8.3
152.14339	3.8
153.15019	0.5
154.15846	0.4
158.09587	0.4
161.02869	0.4
164.14352	0.4
166.08669	0.7
166.12192	0.4
170.09584	0.7
172.13312	0.7
180.10181	4.3
189.05412	0.5
190.04906	0.6
195.16026	0.3
200.14342	2.7
208.13310	0.5
209.14050	0.7
212.14352	0.4
226.15804	0.8
228.10167	1.4
230.11691	0.8
232.13121	0.5
234.14777	0.7
238.17995	0.4
246.11238	0.4
246.14909	2.2
252.15923	4.0
254.18994	3.1
256.13278	0.6
270.14792	1.9
280.83386	0.4
298.18021	1.5
300.19559	100.0
301.20001	2.9
302.21185	3.5
311.45041	0.4
326.12003	0.5
326.19614	3.3
326.23145	0.5
344.22189	69.1
345.10822	1.3
345.22626	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	344.2218
Annotation	Polysignine
Peak:m/z	Relative Intensity
52.44025	0.3
55.05478	1.0
67.05463	1.3
67.07015	0.3
68.04990	0.4
69.07034	1.4
70.06561	0.4
70.72882	0.7
70.73219	0.4
77.36630	0.3
79.05489	5.4
80.04977	1.0
81.07053	2.6
82.06507	0.5
83.08578	0.5
84.08118	0.5
85.02867	0.4
91.05470	4.6
93.05756	0.3
93.06573	0.3
93.07039	3.8
94.06533	0.8
95.04950	0.5
95.07322	0.4
95.08584	2.2
96.08094	0.6
97.02918	0.4
98.97557	0.4
103.04798	0.6
103.05458	11.1
105.07016	3.2
107.04284	0.6
107.04950	7.0
107.08568	2.4
108.05243	0.4
108.08105	14.4
109.08866	1.0
109.10114	0.9
110.09642	1.2
117.07013	0.7
119.08542	0.7
120.08095	3.7
121.06501	0.8
121.08862	0.4
121.10102	0.7
122.09653	10.1
123.10468	1.6
129.06917	0.4
130.06514	3.4
131.04912	5.1
131.08501	0.4
132.08063	2.6
133.10057	0.6
134.09660	0.7
134.99635	0.3
135.10692	0.3
135.11656	2.3
136.11212	4.8
137.13211	0.7
146.09543	0.4
148.11131	0.4
149.05986	0.4
150.12764	23.8
150.96846	0.5
151.13560	7.8
152.13135	0.4
152.14325	4.3
153.12752	0.5
153.14967	0.5
158.09595	0.4
162.12784	0.4
164.14265	0.8
166.08611	0.7
166.12209	0.3
170.09538	0.7
173.68138	0.3
174.09114	0.4
179.14345	0.6
180.10185	5.6
180.21130	0.3
182.09622	0.3
184.11305	0.3
198.12708	0.4
200.14322	1.3
209.14063	0.4
226.15829	0.8
228.10173	1.5
230.11687	0.4
240.10599	0.3
246.11192	0.9
246.14885	1.9
247.03641	0.3
254.19026	3.0
256.13379	1.0
258.14905	0.4
270.14832	2.6
292.45071	0.3
298.18069	1.0
298.21692	0.5
300.19550	100.0
301.19867	4.3
302.21115	3.9
336.19812	0.3
342.23511	0.3
344.22177	57.0
345.22522	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	344.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73708	2.5
55.05503	8.6
55.93516	3.7
56.05012	9.2
56.96555	6.9
57.03424	4.5
57.07083	5.3
67.05503	27.9
68.05026	3.9
69.03424	40.9
69.07064	19.2
70.02936	11.2
70.04072	7.0
70.06571	8.7
70.72887	4.4
70.73235	5.1
70.95850	3.4
71.04958	5.9
72.04501	4.0
72.93768	7.0
79.05477	17.8
80.04995	3.8
81.03380	5.0
81.07053	27.6
82.06596	8.0
83.04932	3.8
83.08607	6.0
84.04488	12.5
84.08134	21.2
85.02866	3.5
86.06072	6.7
86.09686	3.9
87.04464	62.5
88.03994	24.8
90.94804	4.7
91.05483	23.8
93.07037	16.7
94.06552	6.5
95.04936	7.9
95.08610	22.6
96.08121	3.8
97.02898	3.9
97.06539	4.3
98.06040	11.2
100.03949	5.9
102.05532	37.4
105.07024	15.8
107.04933	6.4
107.08643	6.2
109.06538	3.7
109.10135	11.7
110.06007	3.7
112.07596	89.6
117.07005	3.5
119.08554	16.4
120.06615	3.6
120.08041	5.8
121.06519	6.3
121.10110	6.9
124.07539	3.1
129.07007	5.1
130.05014	7.9
131.08595	6.1
133.10127	8.7
134.99663	5.4
137.09564	3.2
140.07060	62.5
143.08540	4.6
145.10121	3.9
147.08031	3.6
147.11647	6.1
149.09653	5.5
158.08185	18.0
160.97345	8.5
163.11229	6.1
173.11761	5.9
174.07584	10.1
180.13768	6.6
180.99594	3.2
193.12270	3.3
206.92624	4.2
208.13445	5.6
222.14894	3.4
231.03331	4.3
237.19060	3.3
267.08438	4.0
279.08078	5.5
281.10132	3.7
294.16943	3.5
297.09198	5.2
298.20157	6.5
300.17944	15.2
308.18472	7.4
326.19598	19.4
327.10306	6.3
344.11407	6.3
344.20670	100.0
344.25708	13.9
344.31647	3.3
345.11316	19.7
345.20529	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	344.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
57.03415	1.4
61.02908	1.3
61.93415	0.4
65.03919	0.9
69.03425	3.3
70.06592	2.5
70.91062	0.9
70.91384	0.5
72.08140	0.7
73.02888	0.5
73.04546	0.4
76.29029	0.4
81.03391	1.7
84.04459	0.6
84.08120	1.6
85.02898	17.1
86.06027	0.5
86.09691	1.0
88.50177	0.4
91.03955	0.6
91.05473	6.3
95.04963	0.6
97.02890	3.0
99.04451	0.6
107.04944	3.6
109.02862	1.3
117.90878	0.6
119.04086	1.1
119.04932	19.0
123.04435	2.4
127.03894	2.7
129.10201	0.9
136.62155	0.5
145.04921	3.6
147.04393	100.0
148.04753	1.8
149.47729	0.4
163.06049	0.4
165.05458	45.2
166.05812	0.6
180.08717	1.3
182.08101	0.5
242.83533	0.5
269.01819	0.4
298.01062	0.4
344.13135	0.8
348.73163	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.2
55.01892	6.3
55.05504	19.3
56.96567	2.3
57.03442	9.7
57.07076	11.7
59.04989	5.5
61.02901	1.5
65.03929	2.4
67.05169	2.2
67.05504	33.3
67.87061	1.3
69.03426	13.7
69.07059	8.4
69.84099	2.9
69.84507	6.2
71.04992	25.7
77.03912	1.7
79.05052	2.5
79.05489	32.1
81.03406	4.4
81.07053	36.8
83.04967	7.7
83.08620	3.6
85.02905	1.5
85.06535	5.9
91.05475	47.3
92.05791	1.3
92.91127	1.3
93.07040	80.1
94.07361	2.0
95.04963	64.5
95.08603	97.3
97.06535	19.0
98.20762	1.6
103.05456	3.8
105.03362	1.5
105.04565	1.7
105.07027	97.6
107.04929	4.9
107.08586	63.4
108.05762	2.3
108.08850	1.4
109.06515	17.7
109.10139	5.5
111.04415	1.5
111.08069	2.6
115.05449	8.5
116.06258	2.9
117.07011	34.4
119.04931	2.4
119.08572	32.6
121.06501	18.4
121.10139	22.1
122.07259	2.1
123.08066	32.9
123.11641	1.5
125.05992	2.5
125.09618	1.6
128.06209	4.7
129.06998	7.0
130.07774	21.2
131.08560	11.2
132.35117	1.2
133.06491	8.3
133.10130	18.8
135.07088	2.3
135.08057	29.6
135.11694	19.0
137.05956	2.6
137.09630	6.0
141.06999	2.1
142.07764	3.6
143.08559	14.0
144.09346	2.8
145.06462	3.6
145.10120	100.0
146.07146	1.5
146.10550	1.6
147.08040	17.2
147.11649	7.5
149.09612	8.1
151.07535	50.5
152.07852	1.8
153.09059	5.2
155.08531	2.8
156.09367	4.2
157.10139	12.3
159.07986	6.0
159.11693	11.2
161.09647	12.4
161.13263	4.8
163.07516	2.1
163.11179	72.5
164.11595	2.4
165.07057	1.9
165.09103	22.7
167.08592	2.1
169.10164	6.0
171.11700	5.9
173.09596	7.2
173.13210	5.0
174.10378	1.8
175.11185	6.6
175.14844	1.9
177.09085	8.0
179.07039	4.3
179.08556	1.6
179.10747	3.6
181.10118	2.8
181.12241	2.2
182.10892	2.9
183.11691	5.1
185.09572	2.0
185.13229	3.1
187.11168	8.1
189.09123	2.8
189.12712	11.8
191.10684	2.4
191.14342	3.7
192.09189	1.3
195.11581	1.5
197.13300	4.8
199.11209	1.5
199.14891	2.5
201.12724	2.2
203.14320	12.2
207.10175	3.8
207.11978	2.5
207.13666	7.8
209.13304	3.6
209.15350	3.4
213.12720	2.8
213.16370	2.5
215.14322	4.5
217.12337	2.8
221.13362	1.8
221.15349	34.4
223.14841	2.6
225.12798	2.1
227.14301	2.8
230.12984	1.3
233.15416	3.6
241.15839	3.8
243.13860	3.5
245.15381	3.5
251.14151	1.5
263.16406	6.3
268.18311	1.4
269.15332	4.6
274.19333	3.0
283.20453	1.4
286.19260	6.3
287.16391	4.1
287.20126	4.0
307.20612	3.1
317.18185	1.6
325.21628	12.9
343.13620	2.7
343.22678	92.7
344.23035	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	343.2266
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03932	7.9
55.01855	5.1
55.05510	25.1
57.03430	12.7
57.07067	23.5
58.07385	2.1
59.04996	5.9
65.03910	3.4
66.92842	2.4
67.05167	2.9
67.05501	34.4
69.03421	11.5
69.06732	3.4
69.07066	44.1
70.07378	5.8
70.07791	3.2
71.04998	23.5
71.20384	2.7
71.20745	5.1
76.96077	1.9
79.05491	30.4
80.36346	2.1
81.03412	5.2
81.07050	30.6
83.04955	8.7
83.08646	2.2
83.67523	2.2
85.06533	6.7
91.05477	44.1
93.07041	85.8
95.04964	70.5
95.05920	2.1
95.08599	93.8
95.81315	1.9
96.95934	1.9
97.06511	20.6
103.05463	3.4
105.07025	95.5
107.04932	5.7
107.08588	67.7
109.06511	20.4
109.10131	8.5
112.25182	2.1
115.05424	7.3
115.07557	10.6
117.07004	35.0
119.08575	30.9
121.06507	18.6
121.10148	21.8
123.08061	34.5
125.05980	2.7
126.99487	2.6
128.06221	2.8
128.84332	2.0
129.01033	5.1
129.06967	6.2
130.07782	17.2
131.08534	8.3
133.06459	6.8
133.10135	16.8
135.08046	31.5
135.11710	20.5
137.05873	2.6
137.09612	5.4
141.00958	5.7
141.06914	2.5
142.01276	2.2
142.07751	3.7
143.00793	2.9
143.08560	13.2
144.09326	2.5
145.06421	3.1
145.10117	100.0
145.11269	5.2
147.08043	20.0
147.11694	4.4
148.08835	2.3
149.09587	7.3
151.07532	53.8
153.09053	4.8
155.02576	2.8
157.10088	7.8
158.10973	2.2
159.08014	5.1
159.11681	11.5
161.09612	10.4
161.13214	6.2
163.11169	78.5
165.09105	20.2
167.08588	2.3
169.10072	2.6
171.11639	6.0
172.08670	2.0
173.09627	5.0
173.13292	7.8
177.09087	9.2
179.07016	6.5
181.10100	3.2
181.12241	3.3
183.11659	3.7
187.11179	3.6
187.14828	3.2
189.09103	3.5
189.12718	11.6
191.14290	5.9
193.12230	3.5
197.07271	15.7
197.13229	4.2
198.07629	5.7
199.06985	13.8
199.11174	2.4
203.14330	12.7
207.10081	2.5
207.13783	10.8
209.13248	3.6
209.15286	4.3
211.14613	3.5
215.14316	5.0
217.12138	2.4
221.15353	34.8
227.14293	2.2
233.15326	4.5
236.80768	2.4
241.15628	3.2
243.13747	2.5
257.15274	2.8
263.16449	7.3
269.15277	5.0
281.88809	2.6
286.19214	6.8
325.21671	13.2
343.08191	3.8
343.13226	3.7
343.18784	8.4
343.22610	95.2
343.26788	4.6
344.07333	6.6
344.22977	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	343.2266
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03941	4.8
55.01855	7.9
55.05505	22.3
57.03423	8.0
57.07077	19.2
59.04981	6.6
67.05499	39.8
69.03419	12.5
69.07047	7.3
69.33956	24.2
70.04057	3.9
71.04992	21.4
79.05489	28.3
80.03069	2.4
81.03394	3.9
81.07055	36.6
81.23331	2.2
83.04975	6.1
85.06551	5.3
91.05473	40.3
93.07040	88.9
95.04359	3.3
95.04967	61.7
95.08601	91.6
97.06516	15.7
98.17577	2.8
98.21508	5.4
100.52844	2.3
105.07027	100.0
106.07384	3.1
107.04988	2.9
107.08588	61.9
108.05715	2.8
109.06505	21.3
109.10146	6.3
111.08053	3.8
114.79426	2.5
115.05442	8.8
117.07005	39.1
119.08570	31.1
121.06499	23.3
121.10131	16.7
123.08048	29.4
129.06999	6.2
130.07785	18.5
131.08571	10.3
133.06490	7.7
133.10158	19.3
135.04498	2.6
135.08038	31.3
135.11685	19.0
137.09612	6.0
142.07782	3.2
143.08537	15.5
145.06418	4.3
145.10114	92.1
147.08064	13.8
147.11745	3.1
149.09604	7.0
151.07542	53.7
153.09152	5.2
155.00287	2.8
155.08516	4.3
156.09308	3.9
157.10152	9.2
159.08070	4.3
159.11671	11.0
161.09593	9.8
161.13255	2.9
163.11179	80.0
165.09093	21.3
169.10132	6.0
171.11638	6.7
173.09589	4.3
173.13255	4.8
175.11203	6.2
177.09109	8.2
179.07063	3.1
179.08524	3.5
181.12291	2.5
183.11641	4.8
185.09666	2.4
185.13220	4.6
187.11176	7.0
189.12743	15.5
191.14330	4.3
197.13220	5.5
203.14351	12.5
207.10091	3.1
207.13820	7.9
209.13278	3.3
209.15358	5.7
221.13394	2.8
221.15369	31.7
223.14774	3.4
233.15401	3.0
241.15971	2.7
243.13922	2.7
245.15320	3.3
263.16541	9.3
286.19312	6.2
287.16388	5.1
319.11963	2.6
325.21555	11.9
329.16714	2.6
343.22656	95.4
344.22830	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	343.2267
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03938	7.0
55.01855	5.9
55.05506	17.5
55.83468	1.7
57.03431	12.6
57.07069	12.0
59.04992	6.1
61.29789	1.6
65.03934	2.3
67.05502	33.8
69.03432	12.9
69.07072	8.1
69.73206	1.3
69.92050	8.4
70.04076	1.6
71.04634	2.2
71.04989	22.2
73.68311	1.4
76.92207	1.5
79.05491	22.1
81.03400	4.4
81.07056	33.0
82.90974	1.4
83.04991	8.1
83.08590	3.2
85.06526	4.5
91.05476	40.8
91.66131	1.4
93.07038	79.1
94.07375	2.5
95.04965	66.2
95.08601	87.6
96.08878	1.5
97.06533	13.2
103.05465	3.2
105.07024	94.3
105.15976	1.4
106.07343	1.8
107.04935	6.1
107.07857	3.1
107.08591	62.7
109.06507	19.1
109.10140	6.0
111.08076	2.5
115.05474	8.3
116.06200	2.9
117.07012	37.3
119.08575	40.2
121.06493	24.2
121.10139	21.9
122.07246	3.5
123.08057	32.7
123.11697	1.9
125.05978	4.0
128.06215	2.5
129.06982	7.0
130.07793	20.8
131.08589	14.6
133.06503	8.5
133.10138	19.8
135.04474	1.8
135.07082	2.6
135.08051	29.1
135.11665	15.2
137.05949	3.1
137.09610	8.2
142.07806	4.0
143.08574	13.0
144.09288	1.9
145.06483	3.3
145.10117	100.0
146.10490	1.7
147.08025	15.3
147.11690	6.0
148.70284	1.4
149.09612	7.2
151.07536	62.8
153.09071	4.1
155.08551	4.0
155.20662	1.7
156.09256	2.0
157.10164	12.9
159.08005	6.8
159.11696	8.1
161.09604	10.0
161.13240	5.2
163.07466	2.1
163.11169	72.3
165.06964	2.4
165.09103	17.1
169.10117	3.0
171.11638	8.4
173.09599	7.0
173.13249	6.1
175.11180	6.4
177.09074	7.0
179.07024	4.9
181.10118	2.7
181.12175	3.2
183.11694	2.9
184.87871	1.5
185.09596	2.4
185.13258	4.1
187.11217	7.4
187.14711	2.3
189.09099	2.7
189.12753	13.4
191.10640	2.4
191.14308	3.6
193.10179	2.8
195.11688	3.2
197.13286	5.5
199.11174	2.0
199.14783	2.1
201.12727	2.5
203.14258	10.2
207.10167	5.2
207.11971	2.7
207.13779	9.3
208.12398	1.7
209.13324	2.6
209.15375	4.5
211.11168	1.6
215.14270	3.6
217.12291	4.6
221.15332	33.0
221.17300	2.6
223.14812	3.7
225.12688	2.2
233.15346	4.0
241.15909	2.9
242.51982	1.8
245.15463	1.8
251.43423	1.6
263.16370	7.5
265.19675	1.7
269.15341	5.1
269.18851	2.3
286.19318	7.4
287.16425	3.8
287.19873	2.9
307.20523	1.7
325.21707	12.3
343.13278	4.9
343.22653	92.1
344.23013	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	343.2263
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
51.60069	2.3
53.03940	4.5
55.01861	6.9
55.05507	19.1
57.03417	10.7
57.07068	17.3
59.04983	4.4
65.03947	2.7
67.05216	2.6
67.05503	28.7
69.03424	14.2
69.07051	7.6
70.31431	2.0
71.04984	21.1
71.12447	5.5
73.93805	2.3
79.05482	28.6
81.07043	30.7
83.04977	4.8
85.06510	5.0
88.12707	2.2
91.05471	38.4
93.07033	83.0
95.04958	62.7
95.08595	86.9
97.06519	18.1
105.04536	2.9
105.07021	89.8
107.04912	4.1
107.08583	57.0
109.06517	19.5
109.10133	4.3
115.05444	9.4
117.07005	39.6
119.04914	2.4
119.08559	29.6
121.06500	19.7
121.10117	19.1
123.08058	31.0
123.11636	3.6
125.05992	3.1
128.06206	6.9
129.06972	5.7
130.07768	23.2
131.08543	10.5
133.06448	4.4
133.10104	20.4
135.08034	22.5
135.11685	20.8
137.05960	4.9
137.09618	7.4
142.07736	3.9
143.08569	14.2
145.10109	100.0
146.10442	3.6
147.08031	17.5
147.11684	5.5
149.09593	8.4
151.07518	58.0
153.09052	3.8
155.08495	2.6
156.09332	3.5
157.10100	12.2
159.11700	10.0
160.97346	3.0
161.09590	8.2
161.13272	2.6
162.94582	2.7
163.11150	70.9
165.09094	16.8
165.48019	2.3
171.11644	6.5
173.09596	5.0
173.13245	4.0
175.11130	5.3
177.09027	6.5
179.07030	5.8
183.11685	2.9
185.13208	3.7
187.11214	6.2
189.12704	14.4
191.10628	2.7
191.14345	4.3
197.13251	5.5
203.14317	11.5
207.10069	3.9
207.13777	10.9
209.15268	5.6
215.14383	4.3
221.15318	30.4
225.12671	3.3
227.14104	3.8
233.15315	3.3
241.15852	3.4
263.16431	10.4
269.15231	3.0
274.19482	4.3
286.19266	3.9
287.16431	3.6
287.19794	3.8
325.21585	12.9
343.22638	89.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.9
55.01878	14.1
55.05514	10.7
56.05021	1.5
56.96558	1.7
57.03432	7.6
65.03939	1.6
67.05506	20.6
68.32705	2.0
69.03430	10.8
69.07063	7.3
69.63398	11.8
70.06589	8.3
71.04992	22.7
72.08138	3.0
76.18176	1.7
79.05498	30.4
81.03422	20.0
81.07056	27.9
81.07520	2.3
83.04990	8.3
83.08617	6.9
84.04495	2.8
84.08150	5.0
85.02908	3.5
85.06553	2.5
86.09701	4.5
87.04480	4.3
91.05482	18.2
93.07038	26.1
95.04968	22.3
95.08603	19.3
97.06534	61.3
97.10167	4.6
98.21479	3.0
99.04478	2.2
100.11263	2.1
105.07043	14.5
107.04954	49.4
107.08603	14.7
109.06508	6.8
109.10159	5.0
111.04435	9.4
111.08080	4.4
117.07019	8.8
119.08571	14.0
121.06503	16.8
121.10156	13.1
123.08082	15.6
125.06019	6.1
125.09615	2.5
129.06956	3.2
131.04913	3.5
131.08582	14.7
133.06482	5.0
133.10141	5.1
135.08073	9.0
135.11734	3.2
137.05956	3.1
137.09592	2.3
139.07481	2.7
140.11604	1.6
141.06970	2.0
143.08585	2.2
145.06563	1.7
145.10124	12.4
147.08040	3.7
147.11707	4.2
149.09605	10.8
151.07556	2.6
153.09103	2.2
155.08580	4.3
159.08067	1.9
159.11714	6.9
160.05225	2.0
161.13260	3.9
163.11203	7.0
165.09175	1.5
165.12781	5.3
167.10751	2.1
169.10143	3.7
171.11708	4.1
173.13254	3.6
175.07480	3.2
184.07352	1.8
187.11229	2.3
187.14847	14.0
189.11189	2.2
189.12769	1.7
197.13280	8.3
201.05458	3.0
205.15933	12.3
215.14339	23.5
223.07574	4.4
223.13309	13.4
223.16891	2.0
233.15372	37.9
249.09184	2.8
251.16441	100.0
253.08635	2.4
266.09387	1.9
269.10760	2.2
269.17520	5.7
271.13995	2.7
287.11646	2.2
307.09689	4.3
307.19220	2.7
325.10910	4.3
325.20074	26.8
343.13239	4.4
343.17252	2.6
343.21188	7.1
343.30661	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95398	0.9
53.03945	2.3
53.04197	0.8
55.01865	3.0
55.05493	3.2
56.96553	2.0
57.03422	4.5
57.07061	2.7
61.02927	6.3
67.05485	2.8
68.05000	2.3
69.03424	18.1
69.07064	3.0
69.53677	7.1
70.02945	0.9
70.06582	11.9
71.04971	4.2
72.08146	3.1
73.02907	2.2
79.05485	5.7
80.05034	1.0
80.99785	0.9
81.03405	8.0
81.07059	9.5
83.01299	0.9
83.04974	8.1
83.06090	2.8
84.04494	2.6
84.08131	2.3
85.02897	44.7
85.06541	1.5
86.09686	4.1
87.04466	3.4
87.05566	1.0
87.10052	0.9
88.03976	3.1
91.03938	4.0
91.05464	9.7
93.07042	11.4
94.04192	0.9
95.04964	21.2
95.06079	23.3
95.08574	2.0
96.05824	1.5
96.06397	6.7
97.02886	12.3
97.06512	3.8
98.06029	2.4
98.20739	1.8
99.04453	3.2
103.03934	1.8
103.05495	1.5
104.91158	0.9
105.07024	9.6
107.04948	22.9
107.08582	11.6
108.05258	2.0
109.02842	6.0
109.06521	4.5
110.07198	1.5
112.08719	6.3
112.09369	0.9
113.07149	2.1
113.09074	2.2
114.03777	1.1
115.05444	2.7
116.01659	1.1
117.07011	4.2
118.06564	1.6
119.04951	1.6
119.08572	6.5
120.08071	1.6
121.06488	5.0
121.10126	11.1
122.03639	1.3
123.04401	2.6
123.08060	1.8
125.05978	18.7
126.05587	1.0
127.03905	11.9
129.10246	2.3
130.04982	1.0
130.07764	2.9
133.02846	2.3
134.08195	0.9
135.04427	1.2
135.11670	6.8
136.07558	1.7
137.05968	10.8
137.09560	1.0
138.05432	1.3
142.03259	1.2
142.08647	1.0
145.04953	11.5
145.06078	1.6
145.10118	15.4
146.05977	1.7
147.04395	2.1
147.08047	2.2
149.01198	1.8
149.05928	2.4
150.06709	1.4
151.03975	1.3
158.03751	1.1
158.06036	1.2
159.04463	1.1
160.05145	1.4
161.09555	1.8
162.02106	1.4
163.11171	100.0
164.11612	1.9
165.05441	1.4
165.12779	2.7
167.07132	1.4
172.03909	2.1
173.05975	1.9
175.07500	1.5
175.11159	1.9
177.06917	1.7
181.12230	23.0
183.10223	1.3
186.03084	1.3
189.05386	2.0
190.05049	5.6
193.12122	1.1
194.07263	2.0
201.05554	6.0
201.07141	1.2
205.06462	6.8
207.06395	1.2
207.08104	1.4
211.13220	1.4
219.06401	1.8
221.06012	1.1
222.06708	4.6
223.13223	1.6
233.05994	3.8
234.06804	1.6
237.09122	3.4
249.05252	1.1
250.06236	6.3
251.07063	1.6
252.59496	2.2
253.08716	0.9
261.60233	1.1
264.07932	1.7
265.08606	10.1
271.09604	3.4
278.05795	2.3
278.19504	1.4
279.10181	1.6
283.09647	2.7
292.07260	3.9
293.08188	6.1
297.11252	3.5
301.10510	1.9
307.09570	8.7
308.20413	1.6
310.08322	1.1
324.61484	1.7
325.10718	10.3
325.16699	2.2
325.23123	9.7
325.84140	1.0
327.86249	0.9
343.01215	1.1
343.13284	5.8
343.17175	1.2
343.24194	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	343.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40680	0.3
53.03951	0.7
56.05035	0.7
58.06593	2.6
67.19649	0.3
69.03419	0.7
70.06594	2.3
71.57665	0.4
72.08148	0.8
79.05499	0.8
83.06108	0.4
84.04475	0.6
84.08150	0.8
85.02898	1.6
85.07662	19.4
86.06055	0.8
91.05443	0.5
95.04971	1.7
97.02879	0.7
98.06059	0.4
107.04948	100.0
108.05287	1.5
114.05526	1.0
119.04937	0.8
123.04414	2.4
131.08157	68.0
132.08453	0.6
136.07568	2.4
147.04395	1.2
164.10728	0.5
165.05443	1.8
182.08112	1.2
237.12320	33.0
238.12585	0.9
307.16675	0.6
343.12027	0.8
343.16501	2.0
369.62405	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.6
55.01863	3.7
55.05511	3.2
57.03423	5.7
57.07056	2.5
58.06607	1.4
61.02932	6.6
64.36136	1.1
67.05499	3.0
68.05036	2.0
69.03075	1.5
69.03429	22.6
69.07058	3.5
70.06592	7.0
70.56393	1.5
70.56746	3.6
71.04985	3.7
72.08153	3.5
73.02915	2.2
79.05505	6.5
79.86552	1.3
80.05013	1.4
81.03415	10.3
81.07059	8.6
83.04979	12.5
83.06091	2.9
84.04509	1.4
84.08119	2.4
85.02904	57.3
85.07674	5.2
86.06075	2.8
86.09708	3.4
87.04443	4.4
88.04035	2.0
91.03960	3.7
91.05493	6.4
93.07034	11.5
95.04966	25.7
95.06083	20.7
95.08608	3.3
96.04480	1.3
96.06403	6.6
97.02901	15.5
97.06532	5.8
98.06036	1.4
99.04467	4.4
105.07011	7.4
107.04955	45.0
107.08573	10.9
109.02862	7.1
109.06528	3.5
112.08714	3.8
113.07138	2.6
113.09087	2.8
114.05499	1.9
116.07093	1.5
117.06989	3.0
119.08562	4.1
121.06514	3.1
121.10126	12.6
123.08088	1.4
125.05991	32.7
127.03910	14.2
129.07021	1.6
130.07813	1.7
131.08154	22.9
132.06551	2.4
133.10133	1.5
135.11694	5.5
137.05920	3.1
145.04958	15.4
145.10143	14.1
147.07899	1.4
147.11694	1.4
161.09618	1.3
163.11185	100.0
164.11569	2.1
165.12776	4.4
167.07053	1.5
169.04961	1.8
170.48920	1.4
175.11060	1.9
181.12236	32.3
181.13799	1.3
189.35724	1.2
190.05005	4.2
193.12192	2.6
205.12242	2.8
211.13310	2.7
223.13300	1.6
237.12312	10.1
254.17348	1.5
278.19482	1.4
325.23230	12.8
343.16730	2.5
343.24283	15.8
344.20694	23.0
344.24789	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	343.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	14.2
55.93539	6.7
56.05033	10.4
56.96566	27.7
61.60900	5.7
67.05494	19.1
69.03432	9.7
69.07079	6.3
69.79600	34.0
70.06586	32.0
72.08150	18.7
76.16042	5.2
79.05495	21.5
81.03458	6.1
81.07052	23.0
84.04495	9.4
84.08134	17.4
86.09705	22.9
91.05419	26.2
93.07056	12.2
95.04961	21.6
95.08605	17.7
97.06546	8.5
98.20842	10.8
103.05482	7.8
105.07033	11.7
107.04294	8.8
107.04964	100.0
107.08620	8.6
108.05254	9.1
108.13183	5.0
109.06549	6.0
109.10124	8.3
117.07019	8.0
119.04968	11.4
119.08533	6.7
121.02885	9.0
121.06518	8.4
121.10145	9.5
129.07013	6.6
129.10211	8.6
131.04947	35.6
137.06006	7.2
138.34798	6.0
143.37567	6.4
145.10167	8.1
174.31921	6.5
181.08006	5.6
184.07298	7.7
195.08092	8.2
212.08379	5.9
213.07985	6.9
217.07713	6.7
221.09685	6.1
223.07523	9.7
231.08076	6.8
233.15350	9.3
234.06895	8.4
235.07552	7.6
236.08284	5.6
249.09172	19.6
269.10547	43.9
287.11676	65.3
325.18262	8.3
331.32471	6.1
343.14355	17.1
343.17752	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	343.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63311	10.2
55.05503	31.1
56.96567	86.6
57.03421	20.0
65.03934	11.7
65.35385	11.0
65.95940	10.1
67.05486	44.3
69.03416	16.6
69.07068	26.9
70.06591	83.8
70.94050	20.6
71.04991	12.9
72.08149	52.0
72.39478	11.1
79.05473	28.3
81.07049	42.0
81.11531	11.1
83.04981	14.9
83.08588	12.8
84.04492	20.5
84.08140	61.5
84.96029	41.9
86.09699	67.4
87.10016	11.4
91.05473	51.3
93.07052	22.0
95.04971	26.8
95.08620	20.8
97.06507	24.6
98.97579	60.7
102.97069	13.6
104.10741	23.5
105.07037	20.6
107.04945	80.9
107.08615	21.5
108.05347	14.1
109.10149	25.3
110.06069	12.3
110.07153	19.4
111.07473	11.9
116.98636	61.8
117.89680	12.2
119.08630	13.3
121.02904	16.3
121.10107	15.0
128.98642	22.4
129.10254	14.2
131.04930	14.9
131.08562	17.9
133.06467	12.6
134.99658	43.5
137.06041	13.8
139.06482	10.9
146.99628	10.9
149.01317	13.3
159.11841	12.7
161.01276	20.5
162.02194	15.6
177.00710	46.0
184.07341	35.6
219.01675	16.1
237.02846	47.0
251.16498	17.9
255.14970	17.8
259.76617	11.7
269.10645	60.9
287.11673	83.5
301.09619	49.7
310.12888	14.6
319.10620	100.0
325.11490	21.4
343.17667	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	343.065
Annotation	Unknow
Peak:m/z	Relative Intensity
68.14779	2.2
70.06565	3.4
70.93692	5.0
180.00420	3.8
183.31044	2.8
212.02713	2.5
287.03406	2.7
325.09241	3.5
343.06497	100.0
343.10092	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	343.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.2
55.01869	9.6
55.05497	19.4
56.05050	6.4
56.96562	26.9
57.03435	9.9
60.04511	7.7
67.05493	24.4
69.03423	13.6
69.07078	8.7
70.06584	53.5
71.59187	11.9
72.08151	25.2
75.83284	6.9
79.05500	18.7
81.03407	12.4
81.07051	21.3
83.08641	8.0
84.04513	25.2
84.08131	28.5
86.09706	60.5
86.70736	6.7
91.05473	65.4
93.07054	17.4
95.04962	18.1
95.08603	17.5
97.06525	6.9
105.07030	23.0
105.07715	6.2
107.04951	100.0
109.02877	14.7
110.07155	10.4
116.07123	6.9
120.08112	23.8
121.10178	11.0
128.06209	21.0
129.06996	19.1
129.07936	6.5
131.04893	11.6
131.08516	9.6
133.06290	6.0
134.99629	7.5
136.07545	6.9
137.06003	10.1
143.08559	16.2
145.10162	6.2
171.08113	14.4
172.07446	8.3
178.40610	6.6
184.07335	16.1
193.09511	7.4
199.07526	14.9
207.07983	7.5
231.09145	13.7
235.07428	10.8
249.09132	9.3
250.06252	9.1
251.09491	8.4
253.08321	8.8
265.08612	10.5
269.10596	45.8
287.11862	39.9
293.02155	7.9
298.29315	7.0
307.09665	12.9
325.10666	12.1
343.17453	46.2
343.22925	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
60.75299	2.2
70.06588	2.7
70.74188	6.7
78.09612	2.1
126.03311	2.0
181.27588	2.1
204.44284	2.4
343.06454	100.0
343.09927	3.8
343.15268	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	342.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95261	0.8
55.05503	2.4
57.07075	22.3
62.06089	3.1
63.27457	0.8
67.05495	3.2
69.07059	4.0
70.42065	2.8
71.08630	12.5
72.08150	1.2
73.02917	2.1
79.05482	1.5
81.07053	4.1
82.49195	0.8
83.08619	2.9
85.10170	5.4
86.09717	1.0
95.08604	4.8
95.41084	0.9
97.10189	1.6
109.10152	1.6
115.80393	0.8
174.18562	3.7
230.24846	3.3
283.26303	100.0
284.26733	3.6
310.81970	0.8
323.89758	0.9
342.33597	30.9
342.37332	74.5
343.34018	1.7
343.37979	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.7
55.01865	7.4
55.05507	55.6
57.03433	4.7
57.07067	15.4
59.16848	2.3
66.47524	2.1
67.05495	19.3
69.03427	8.0
69.07066	45.3
69.28874	19.0
69.29285	7.7
71.04980	2.7
75.02289	2.0
79.05486	40.6
79.62666	2.3
81.07040	27.4
83.04978	6.3
83.08609	35.7
91.05456	19.7
93.07029	29.1
95.04974	5.1
95.08585	15.7
97.06438	9.5
97.10162	76.3
105.07019	23.1
107.04925	3.0
107.08582	100.0
107.09285	4.9
109.06514	6.8
109.10157	7.5
111.08063	3.0
116.98551	2.9
117.07025	6.2
119.08575	11.4
121.10136	4.9
123.08076	3.2
125.09620	78.9
129.06982	2.6
131.08578	5.5
132.96077	2.9
133.10120	9.8
135.08047	18.4
135.11678	6.7
141.07101	2.8
143.08563	2.8
145.10118	17.9
147.07965	3.0
147.11696	8.7
149.09598	4.3
151.07500	4.6
153.09122	17.3
157.12305	7.9
159.11653	4.0
160.95567	9.5
163.11131	12.5
169.10156	2.6
171.10234	3.7
173.13239	3.7
174.97144	5.0
181.12155	12.0
185.11571	2.7
187.11200	4.3
200.87233	2.6
203.12758	88.7
204.10417	2.2
204.13052	3.3
204.18294	2.6
221.15408	2.7
231.03427	15.2
239.17783	4.3
257.18973	11.6
272.38950	2.8
275.20071	38.9
289.21579	14.3
290.21808	3.0
307.22610	6.1
324.22501	2.6
342.07681	18.9
343.13153	6.6
343.22656	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	342.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	15.0
55.05505	48.1
57.03428	47.3
57.07070	40.6
67.05503	100.0
69.07072	83.8
70.06569	16.6
71.04977	19.7
72.08121	24.9
79.05492	61.7
81.07053	85.1
83.05011	26.8
83.08613	22.9
85.06543	20.4
91.05476	77.1
93.07049	86.7
95.04977	21.5
95.08608	76.1
97.06519	28.9
97.10168	21.7
98.09707	22.9
104.89603	19.7
105.07033	67.7
107.08588	61.3
109.06513	16.9
109.10144	38.2
119.08569	33.8
121.10146	43.5
123.08067	17.0
123.11809	17.6
131.08542	28.9
131.81697	17.6
133.10159	34.6
135.11731	30.8
145.10106	29.0
147.11606	21.6
157.82430	19.8
213.15015	19.5
275.20047	27.3
301.20187	17.5
314.88004	16.7
316.51483	20.1
319.21149	56.4
337.22198	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39646	13.9
55.05494	39.7
57.07068	38.0
67.05494	88.2
69.07052	65.5
70.01723	13.4
70.84849	41.2
79.05471	44.2
81.07053	100.0
83.04946	20.0
83.08631	17.3
91.05473	43.3
93.07029	60.7
95.04955	23.2
95.08585	47.2
98.09688	18.8
105.07017	46.5
106.62180	13.0
107.08553	45.0
109.06494	13.9
109.10120	16.6
117.06992	31.4
119.08588	30.6
121.10137	21.4
133.10120	46.5
135.11691	32.2
145.10139	26.0
147.11665	19.6
157.10139	27.3
159.11707	36.8
163.11174	14.2
171.66843	14.0
173.13232	15.6
177.12732	16.0
181.12175	17.2
205.10065	12.7
274.09842	15.4
275.19943	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1334
Annotation	Eletefine
Peak:m/z	Relative Intensity
56.96535	0.7
65.03889	0.5
67.05470	1.1
69.03426	12.4
69.68091	2.6
69.68512	0.7
70.06568	0.9
70.64599	0.4
72.08141	0.4
76.43455	0.4
79.05473	0.5
81.07040	1.0
83.04951	0.4
83.08552	0.6
87.04465	16.1
91.05436	0.7
92.42732	0.4
95.04953	0.5
95.06104	2.3
95.08557	0.8
97.37695	0.4
98.97565	1.1
105.07032	0.5
107.04942	2.4
107.08574	0.7
112.08692	0.7
115.42155	0.4
146.05951	0.4
147.08078	0.4
147.11613	0.5
148.03925	3.1
165.07031	0.6
166.04973	2.1
192.08025	1.5
199.06203	1.5
210.05511	1.1
210.09114	0.5
220.07654	0.8
220.10251	0.6
227.05766	0.6
228.10141	1.1
238.08591	1.0
239.09415	0.5
240.10187	0.7
241.07306	2.8
255.08861	0.6
256.09668	100.0
257.09964	1.9
267.08914	1.0
283.10947	0.4
296.12790	6.0
297.13940	0.4
301.11932	1.3
305.82104	0.5
324.12286	26.5
324.22559	0.8
342.13348	81.3
342.22324	1.9
343.13766	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.176
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05045	4.3
57.03418	8.2
69.07038	3.8
70.06591	88.5
71.08627	8.9
71.21569	5.0
71.21894	4.3
72.08149	13.9
79.05479	5.9
81.07057	19.4
84.04492	9.1
84.08139	23.2
85.02902	13.7
86.06084	8.8
86.09697	33.3
97.02888	4.3
99.08063	23.9
107.04961	18.2
109.06526	21.7
110.07130	13.5
112.08778	5.4
117.09130	100.0
120.08095	8.6
127.03891	3.7
127.07542	44.4
129.10246	7.9
130.04979	5.1
131.77835	4.5
163.09647	17.7
164.13130	7.7
183.14867	6.3
198.92812	4.8
243.09796	4.5
266.40594	3.7
342.16803	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	342.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	2.5
53.03951	3.8
55.01881	6.4
55.05506	32.5
57.03423	3.2
57.07074	51.3
62.70905	2.5
63.53788	2.3
67.05501	23.1
67.35826	2.5
69.03423	5.0
69.07063	100.0
70.04070	23.2
70.07864	4.5
70.65396	6.1
70.65749	5.7
79.05477	29.2
81.07048	30.1
83.04942	6.2
83.08604	13.9
91.05474	21.8
93.07051	20.4
95.04974	11.1
95.08583	16.2
97.06519	9.8
97.10164	32.3
103.03136	3.1
105.07027	28.1
107.05004	4.3
107.08595	41.4
109.06551	6.5
109.10139	6.0
111.08128	3.0
115.07566	18.8
117.07001	7.1
119.08586	15.3
121.06553	3.0
121.10128	6.3
125.01529	7.0
125.09621	30.1
129.01001	4.6
131.08607	6.7
133.10139	10.6
135.08049	11.4
135.11708	6.2
139.00517	2.7
139.03088	4.1
140.45605	2.5
141.00977	3.0
145.10141	13.6
146.97618	23.4
147.11696	7.6
149.09607	5.2
153.09129	7.4
156.09393	3.2
158.97597	18.1
159.08031	3.8
159.11722	6.7
161.13278	5.3
163.11128	4.1
167.10530	4.0
174.97124	48.2
176.98663	12.8
186.97098	5.9
188.98706	10.3
195.05685	3.1
203.12729	30.9
209.07257	13.2
245.04955	72.3
245.07475	5.5
246.05316	6.6
257.19067	4.7
275.20001	34.3
289.21606	5.1
342.07663	27.2
342.33667	3.6
343.17285	2.4
343.22656	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	341.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	13.8
56.05023	1.9
56.54900	1.0
57.07074	6.0
60.04510	3.2
67.05497	5.4
68.05025	4.9
69.06725	1.4
69.07066	15.9
70.02930	2.0
70.06573	4.2
71.08627	2.9
72.04507	1.3
73.02911	2.1
79.05472	1.4
81.07046	3.3
82.06573	3.4
83.08611	10.5
84.04498	3.9
84.08106	2.3
85.10194	1.2
86.02416	2.9
87.05582	14.7
88.03985	4.9
95.08617	5.9
96.08135	3.3
97.10180	6.5
98.09702	1.9
99.81588	1.1
100.03956	1.6
102.05518	3.0
109.10152	2.1
110.09671	1.4
110.87044	1.3
111.11755	1.3
114.05517	4.1
125.29750	1.1
128.07062	3.8
142.08557	5.9
185.13251	1.2
226.25270	17.7
229.90656	1.6
236.23735	26.0
238.25172	7.4
250.25302	2.6
252.26845	3.2
278.24753	5.2
282.24295	28.9
288.97421	1.4
295.27448	19.1
296.25815	9.1
297.29095	2.4
324.25317	48.5
325.25659	1.7
340.78055	2.2
341.27988	100.0
342.28329	3.3
364.82004	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47050	1.0
55.05506	3.4
56.96558	1.4
57.03433	1.3
67.05493	4.3
69.07070	1.7
70.06598	1.9
71.59113	2.3
72.08152	1.3
73.36823	1.2
79.05499	3.2
81.03429	1.8
81.07062	3.1
83.04994	1.3
83.08617	1.4
84.08132	1.4
87.75784	1.1
91.05452	2.4
93.07025	4.0
95.04988	2.5
95.08601	4.5
97.06513	1.1
100.11228	1.4
107.04942	7.8
107.08604	2.4
109.10138	1.8
111.04445	1.7
117.07046	2.3
119.08557	2.3
121.06512	1.2
122.06027	2.0
123.08026	1.3
131.04901	2.7
131.08537	1.3
133.10124	1.1
135.08025	1.2
137.06036	1.0
143.08601	1.3
145.06509	1.2
147.08073	1.3
147.11755	1.3
163.44608	1.1
181.06424	1.9
204.06551	3.3
207.10251	1.2
210.06746	2.3
223.13315	1.3
263.45657	1.2
332.50558	1.4
341.12442	10.2
341.19339	100.0
342.19733	3.0
359.02628	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.7
55.05505	2.8
56.05019	1.6
57.03409	1.8
57.41257	1.0
65.03943	1.1
67.05487	2.0
67.80190	1.0
68.05029	2.3
69.03426	1.6
70.06577	4.2
71.04970	1.0
71.60043	1.8
72.08150	2.1
75.02694	3.9
79.05481	4.8
81.03415	1.8
81.07049	3.0
83.06102	2.9
84.04488	4.1
84.08128	4.0
85.02885	2.6
86.09688	3.3
91.05458	11.5
93.07069	1.2
94.04166	3.9
95.05009	2.2
95.06079	29.8
96.06406	3.5
103.05469	8.4
105.07023	18.4
107.04951	8.3
109.06484	2.3
111.04443	1.5
112.08788	2.3
113.03499	3.1
113.07124	22.5
115.05444	8.8
117.06992	2.1
118.04128	1.6
119.04929	4.7
119.08565	6.2
120.08086	1.5
121.02881	6.3
121.06491	2.4
122.03661	8.0
128.06207	2.6
129.07024	6.9
129.10210	2.1
130.05032	1.6
131.04903	9.4
131.08571	1.9
132.05673	4.1
133.06473	13.8
137.05962	100.0
143.04944	2.2
144.05733	3.3
145.06465	2.8
147.04385	7.3
147.08051	6.6
149.01175	1.3
149.05933	1.8
151.03886	1.3
151.07516	2.8
157.06439	3.5
158.06355	2.2
159.08018	7.9
160.05193	4.9
161.05952	30.7
161.09615	1.2
162.06615	2.4
163.07478	5.2
172.05188	7.3
174.06755	2.3
175.07526	41.5
177.09164	1.8
179.07039	2.5
185.05956	2.2
187.07520	30.9
189.09073	4.5
190.07771	3.5
191.08511	7.5
199.07526	4.7
202.07779	3.3
203.08536	7.8
207.08719	2.1
208.08806	1.4
213.40266	1.1
217.08586	6.0
218.07289	1.5
219.07979	8.9
220.08716	1.7
221.09465	2.5
230.07422	1.3
231.07988	6.6
232.08788	1.9
233.06076	1.3
233.09711	1.5
235.07327	1.4
235.10971	1.4
236.08337	2.3
237.09061	1.5
240.07819	2.1
247.07593	6.2
248.08298	5.4
249.08975	2.7
251.10664	13.0
253.08658	1.7
255.06580	1.2
259.07553	2.7
263.10663	5.0
264.07968	1.2
265.08542	2.9
270.09012	1.9
271.09558	3.0
276.07819	3.1
277.08560	1.9
279.10120	12.8
281.08029	1.5
291.10126	11.5
292.10602	1.3
296.10406	3.1
309.11319	5.1
311.12729	13.0
323.12921	9.5
323.16208	2.4
323.19501	2.5
341.10376	1.5
341.14093	9.1
341.20370	39.5
342.66949	1.2
344.08032	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.6
56.96555	0.7
57.03421	0.3
57.07070	0.7
65.03939	1.0
67.05491	1.0
69.03422	0.3
69.07079	1.6
70.06595	1.0
70.07401	0.4
71.24689	0.2
71.59389	0.2
72.08154	0.3
76.03123	0.3
79.05496	1.3
79.54707	0.2
81.03414	0.6
81.07050	0.9
83.08623	0.7
83.99610	0.2
85.02891	0.3
86.70896	0.2
89.03914	2.9
91.05463	1.0
92.05007	0.3
93.07034	0.8
94.06541	0.3
95.04967	0.6
95.08614	0.7
97.02866	0.3
103.05468	0.2
105.07011	0.5
106.06553	0.3
107.04964	0.5
107.07318	0.6
107.08590	0.5
108.08092	1.2
109.06532	0.3
109.10133	0.4
110.09661	0.3
116.04976	13.1
116.98548	0.3
117.07039	0.4
119.08560	0.6
121.06525	0.3
121.10124	0.6
122.09693	1.2
123.08015	0.2
131.08582	0.4
132.04446	0.3
134.06013	1.2
136.07538	0.2
138.09227	0.3
144.04442	23.8
145.04961	0.5
145.10052	0.2
146.05998	0.3
150.09140	2.8
157.10172	0.2
159.11688	0.3
161.09607	0.3
162.05508	8.7
172.03928	70.6
173.04247	1.3
176.07048	0.3
189.04175	0.2
190.04915	0.4
199.07031	0.4
200.07288	0.7
204.06554	100.0
205.06889	2.2
207.74976	0.2
225.57021	0.2
274.08115	0.5
285.07373	0.2
300.09537	0.3
309.12405	0.3
310.97516	0.2
317.06485	0.2
331.65353	0.3
334.10477	0.2
341.14853	0.6
341.21970	0.4
341.28000	0.7
357.43793	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.138
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.01856	3.7
55.05512	4.2
56.96553	4.7
57.03421	3.7
57.07058	1.5
65.03944	2.0
67.05499	9.1
69.03424	1.8
69.07054	4.8
70.06585	2.3
71.04984	6.5
71.59853	2.0
79.05496	7.5
81.03426	3.2
81.07048	7.6
83.04983	1.8
83.08606	3.0
84.08157	1.9
85.02922	1.8
86.09719	1.8
87.59599	1.3
91.05465	10.1
93.07042	5.1
94.04188	2.6
95.04960	6.1
95.06082	6.1
95.08614	4.8
97.06503	2.0
97.10168	1.7
98.97601	1.9
99.04479	1.6
103.05459	2.0
105.07015	8.4
107.04936	11.9
107.08611	3.5
109.06509	4.7
109.10159	3.8
111.04465	2.6
112.08677	2.4
115.05440	3.3
116.98583	2.0
117.06989	2.3
119.04913	2.5
119.08571	4.1
121.06500	4.4
122.03638	8.1
123.08113	1.8
125.05969	2.4
125.09667	2.2
128.06181	3.1
129.06995	10.1
131.04921	3.2
131.08577	4.5
133.02847	8.1
133.06419	1.5
133.10132	5.1
134.99690	2.7
136.07564	1.7
137.05963	100.0
139.07550	1.4
143.04939	2.5
143.08505	2.3
144.04457	1.7
144.05685	4.2
145.06480	4.8
145.10002	1.6
147.07985	2.4
147.11687	3.0
149.05963	6.4
151.03877	2.3
151.07616	8.1
153.05495	1.6
157.06474	6.6
158.97597	2.6
159.08093	1.9
159.11772	2.1
160.05212	6.4
161.05998	4.0
163.07561	2.8
165.05487	4.4
165.06883	1.6
167.06947	1.8
168.05644	2.5
172.03932	11.3
172.05244	3.5
174.06731	8.6
175.07549	19.7
177.05505	9.0
177.06828	1.6
177.09074	2.4
177.12766	1.7
179.07018	3.5
179.08499	1.8
183.07935	1.7
187.07535	33.2
187.09140	2.2
189.09102	12.2
196.05215	5.2
199.07547	4.8
202.07776	4.2
203.08487	14.2
204.06534	16.8
205.06558	3.4
205.08496	3.2
208.08803	2.0
211.07521	20.0
212.04678	1.7
213.05479	3.8
217.08563	17.9
218.07309	2.5
219.08069	11.6
220.08900	6.9
221.09579	2.2
224.08260	2.5
225.05496	3.4
227.07036	17.3
228.07800	3.2
231.08041	15.2
232.08804	3.1
233.05896	3.6
233.09528	3.7
234.06752	2.9
237.09111	3.3
239.07034	16.2
240.07748	12.4
241.08669	1.8
247.07510	7.3
248.08250	24.2
249.09268	3.5
250.06297	2.7
251.10672	5.0
253.12189	1.8
255.06534	11.2
256.07248	11.5
259.07614	6.4
260.08206	2.2
261.09216	2.2
262.09857	2.8
263.07266	2.5
263.10660	20.1
264.07806	2.9
265.08524	7.3
268.07355	4.1
269.07983	2.0
270.08868	26.6
271.09607	45.4
273.09283	1.6
276.07700	11.6
277.08456	6.9
278.06042	1.6
278.09274	2.1
279.10098	9.7
280.10858	2.8
281.11725	3.5
283.09531	14.3
291.10117	58.0
292.10941	3.6
293.08072	6.2
293.11389	1.6
294.18829	1.9
296.10434	8.1
297.11273	3.9
308.10333	7.8
309.07541	2.7
309.11218	3.3
311.12704	13.6
313.14304	3.3
323.12723	39.2
323.23553	1.6
341.13901	26.2
341.22778	9.8
360.10730	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1382
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
51.32060	1.0
51.50512	0.9
55.01860	1.6
55.05491	1.2
55.76434	0.9
61.02900	1.5
67.05492	2.5
69.07058	1.8
69.67597	7.9
70.06586	1.7
71.04979	4.8
72.08135	1.3
73.02880	1.0
79.05466	4.3
81.07039	4.2
84.08146	1.9
85.02887	1.9
85.40736	1.1
86.09714	2.4
91.05449	6.7
93.07038	2.9
94.04169	3.3
95.04976	2.1
95.06069	2.9
95.08602	1.7
96.06427	1.9
97.06550	1.9
98.20760	2.2
103.05479	2.2
105.03378	1.4
105.07025	2.5
107.04968	6.6
108.05227	1.2
109.06498	3.0
109.10119	1.2
111.04408	2.3
115.05431	2.3
117.07062	1.0
119.04948	2.9
119.08556	1.2
122.03657	7.3
125.06016	1.4
128.06235	2.0
129.06992	7.1
130.06548	1.6
131.04922	3.7
131.08516	1.6
133.02837	5.9
133.06418	1.4
133.10114	1.2
137.05968	100.0
138.06253	1.5
143.04927	1.3
144.05687	2.9
145.06450	3.0
146.03523	1.4
147.04398	2.7
147.07909	1.1
149.05959	4.5
151.03923	2.1
151.07588	5.8
151.08588	1.3
153.05461	1.5
157.06487	3.5
160.05197	3.8
161.05977	1.5
161.09656	1.1
163.07533	3.3
165.05472	5.1
165.06906	1.8
168.05722	1.1
172.05176	5.4
174.06743	6.9
175.07545	19.9
177.05461	7.0
177.09068	3.2
179.07005	4.0
185.06075	1.3
187.07529	28.2
189.09102	11.4
190.07841	1.3
191.08514	3.3
196.05197	4.7
197.05914	2.1
199.07568	4.5
202.07735	5.9
203.08549	14.5
205.06531	1.8
205.08617	1.8
209.16524	1.1
211.07500	18.8
212.04788	1.4
213.05434	3.6
217.08566	12.7
218.07277	2.0
219.08017	7.7
220.08809	6.9
225.05420	1.9
227.07016	16.0
228.07753	2.8
231.08014	14.4
232.08762	2.1
233.05930	3.9
233.09633	1.4
234.06776	2.1
235.07513	1.9
236.08214	1.9
237.09055	1.9
239.07004	13.9
240.07825	12.8
241.05032	1.7
241.08542	2.1
247.07565	5.6
248.08315	24.2
249.09044	3.9
250.06256	1.9
251.10583	4.9
253.08473	2.9
255.00429	1.1
255.06535	12.1
256.07260	7.8
259.07474	5.8
260.08136	2.6
261.09061	2.3
263.07639	1.6
263.10645	16.9
264.07870	2.0
265.08594	4.8
268.07248	4.7
269.08209	2.0
270.08853	25.6
271.09613	39.7
276.07791	13.3
277.08643	6.8
279.10095	10.0
280.11038	2.0
281.08243	1.4
281.11597	2.6
283.09607	11.3
290.09201	1.1
291.10123	56.1
292.10806	4.6
293.08157	6.1
293.11108	1.3
295.09586	2.1
296.10437	6.1
297.11325	3.5
305.11398	1.6
308.10254	5.9
309.11447	1.6
311.12756	9.6
313.14322	1.2
323.12759	34.0
341.13724	21.0
341.22461	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	341.138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01857	1.9
55.05497	3.5
56.96568	5.7
57.03431	1.0
57.07061	1.4
57.75524	0.9
61.02910	1.4
65.03928	2.9
67.05499	4.9
69.03407	2.0
69.07046	4.9
70.06574	3.0
71.04980	2.3
71.60225	1.5
72.08153	1.5
78.66206	0.9
79.05478	6.0
80.04990	1.1
81.03403	3.6
81.07030	6.3
83.04955	1.7
83.08587	2.0
84.08125	1.3
85.02890	2.5
86.09686	1.7
87.04410	1.1
91.05474	8.6
93.07041	3.4
94.04154	3.3
95.04973	6.5
95.06094	4.0
95.08603	2.6
96.04399	1.1
96.05290	1.7
96.06430	1.6
97.02859	1.8
97.06506	1.5
98.97562	3.0
100.11235	2.3
103.05429	2.8
105.07019	7.1
107.04952	7.1
107.08595	2.1
109.02864	1.5
109.06504	3.2
109.10153	1.2
111.04435	2.7
111.08041	1.2
112.08716	0.9
115.05462	3.6
116.98585	2.8
117.07022	2.5
118.06529	2.1
119.04889	5.4
119.08543	5.0
120.05273	2.6
121.02847	20.3
121.06498	2.6
121.10155	1.2
122.03660	8.1
123.04428	7.0
124.04774	2.6
124.61698	1.0
125.09584	1.0
128.06232	2.5
128.98637	1.0
129.06984	4.2
131.04906	3.5
131.08559	2.1
132.05696	3.8
133.06465	2.8
133.10112	1.2
134.99596	1.3
137.05963	100.0
138.06297	2.7
143.04898	1.3
145.06447	2.6
145.10117	1.0
146.99640	1.2
147.04332	4.3
147.08047	4.8
149.01205	2.2
149.05969	2.1
149.09625	1.1
151.11093	1.0
152.06169	1.2
155.04831	1.2
156.03552	0.9
157.06485	2.0
159.08034	2.2
160.05190	1.7
161.01192	1.2
161.05948	10.3
162.06668	1.5
163.07457	1.3
165.05444	1.4
165.06941	1.7
167.02246	1.6
167.07085	1.3
167.08476	1.0
171.08118	1.0
172.05264	0.9
174.06738	1.5
174.98914	1.0
175.07536	36.8
176.14322	10.4
177.00662	1.0
177.09120	2.4
177.14676	12.1
178.07715	1.2
187.07489	7.3
189.00526	1.1
189.07153	1.1
189.09053	3.5
190.07750	3.4
191.08524	7.2
193.12169	1.1
197.01270	1.3
199.07532	9.0
202.07820	3.4
203.08502	6.0
204.06598	1.4
207.08025	1.1
208.08740	1.8
211.07431	0.9
213.00720	2.5
217.08598	2.1
218.07217	2.3
219.08066	11.1
219.10133	1.6
220.08765	2.9
231.01718	2.3
231.08017	7.6
232.08667	1.4
235.07466	1.9
235.11293	1.0
236.08014	1.5
237.02715	1.9
238.09689	2.7
238.59810	1.3
247.07527	3.2
248.08289	4.0
249.09088	1.9
251.10652	10.2
259.07559	3.9
263.06772	0.9
263.10617	2.8
264.07922	1.0
265.08612	1.2
268.65799	1.0
272.14023	4.3
276.07813	1.6
277.08548	2.2
279.10138	6.6
280.10965	2.1
291.10141	6.7
292.10910	3.5
293.08224	1.1
294.18954	1.2
295.13516	1.1
303.10886	3.6
309.11090	1.5
311.09479	1.4
311.12766	8.6
319.12189	4.8
323.12778	3.8
341.10440	1.1
341.13821	7.3
341.19281	16.4
341.22726	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	340.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31412	19.9
55.05528	22.8
66.72437	18.5
67.05512	32.3
69.07073	30.5
69.24879	17.0
70.06595	82.2
81.07071	33.9
95.08599	32.7
98.21577	30.1
113.30205	24.0
154.67715	18.5
158.23828	18.4
168.17494	100.0
198.14766	93.0
294.82004	21.6
340.28549	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	341.1378
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
52.02841	0.9
55.01873	1.6
56.96571	0.8
61.02924	1.9
67.05492	1.3
68.05035	1.1
69.03421	1.2
69.38005	8.5
70.06573	1.9
72.99219	0.8
79.05479	2.5
81.07072	1.7
84.04523	1.0
84.08164	0.9
85.02911	2.4
86.09660	0.8
91.05469	9.0
93.06983	1.6
94.04176	2.9
95.04962	1.8
95.06081	6.7
96.06419	1.9
96.08124	1.6
97.02869	1.1
100.11249	1.5
101.80067	0.9
103.05488	1.6
105.07050	4.3
107.04939	16.2
107.05609	1.2
108.05290	6.4
108.08111	2.4
109.06527	1.0
109.10155	1.2
111.05555	2.0
115.05444	4.2
117.07024	5.3
119.04922	2.1
119.08580	9.0
121.06509	2.7
122.03661	7.1
128.06235	2.9
129.06998	6.4
131.04898	1.6
132.05698	7.2
133.06477	2.9
136.06203	3.6
137.05965	100.0
138.06290	1.5
145.06439	4.7
146.03662	1.4
147.04381	4.8
147.08064	12.1
149.05978	2.3
149.88556	0.9
151.07530	2.1
153.01842	1.2
155.06056	0.9
157.06480	3.0
159.08028	1.6
160.05208	5.4
161.05963	9.4
162.06720	1.8
163.07289	1.5
165.07083	1.2
171.08116	0.9
174.06856	1.3
175.07542	67.2
176.07889	0.9
177.09081	4.5
179.05533	0.9
179.07088	1.8
185.06001	2.5
187.07610	5.5
189.06931	1.0
189.09142	3.0
190.07784	2.7
190.13385	6.8
191.08580	5.7
191.13702	9.0
191.15012	0.7
199.07542	3.0
202.07796	2.9
203.08530	5.4
210.17882	0.8
217.08626	2.4
218.07312	2.0
219.08028	7.0
220.08853	2.7
221.09576	1.0
231.08044	4.0
234.06796	1.2
234.12495	1.2
235.12599	1.0
236.08273	2.0
237.09038	0.9
247.07501	4.7
248.08264	3.8
251.10677	8.5
259.07526	2.7
260.08316	1.5
260.12814	1.8
263.10681	2.8
264.07761	1.1
264.49512	0.9
265.08475	1.4
276.07751	1.6
277.08606	1.2
279.10150	9.8
281.08200	1.2
291.10117	6.6
292.10785	1.3
297.03757	1.0
297.17740	1.3
302.04230	2.6
303.01840	1.3
308.10358	1.3
309.11111	1.9
311.12766	8.1
323.12643	4.6
325.42114	1.0
326.11069	2.0
341.13663	15.5
341.22424	3.0
342.06210	2.4
350.94864	0.9
359.01004	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.0
55.93502	0.4
57.03431	1.0
67.05491	1.2
68.05029	3.0
69.07056	0.8
70.06584	1.5
70.85045	1.2
71.04996	0.5
72.08142	0.5
79.05496	1.3
80.05008	0.6
81.03414	2.8
81.04532	0.4
81.07050	1.8
83.04984	0.8
83.06105	8.4
83.08607	0.7
84.08138	1.1
85.02894	3.7
86.06041	0.5
88.04001	0.4
91.05463	1.3
93.07056	1.1
93.81754	0.4
95.06087	76.5
97.10141	0.6
97.50271	0.4
105.07016	1.2
107.04952	2.2
107.06066	2.8
107.08577	0.5
112.08722	20.4
113.07127	11.8
119.08574	0.8
120.08109	0.6
121.07607	1.2
125.48210	0.4
129.07112	0.5
130.05019	0.4
131.04926	0.9
133.07607	1.8
134.08363	0.5
136.06186	1.8
147.11635	0.5
151.08650	0.6
162.47108	0.5
193.12271	0.9
217.91383	0.4
234.09650	0.9
275.17517	1.2
293.18570	9.4
303.21045	0.4
304.20245	1.0
305.18625	2.5
311.19571	2.0
322.21274	1.5
323.19635	13.0
340.22302	100.0
341.22513	2.5
344.44955	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2843
Annotation	N-oleoyl glycine
Peak:m/z	Relative Intensity
51.17549	0.4
53.03924	0.7
55.01873	0.5
55.05507	14.8
56.05030	1.5
57.03421	0.5
57.06856	0.4
57.07072	4.3
60.04522	33.4
67.05174	0.7
67.05501	11.3
69.07063	24.1
71.04406	0.7
71.04681	0.7
71.05026	1.3
71.08611	1.7
71.09000	0.4
77.89445	0.6
79.05482	3.1
81.07048	17.7
83.04984	0.9
83.08612	17.0
91.05472	5.2
93.07047	4.9
93.37546	0.5
95.08604	15.4
95.09218	0.9
97.06509	1.5
97.10166	9.9
97.10779	1.0
99.08106	1.0
105.04954	0.5
105.07027	4.3
107.08603	3.0
109.06533	1.1
109.10143	9.2
111.08064	1.1
111.11700	2.9
113.09602	0.8
115.07604	0.9
119.08567	4.8
121.10126	2.4
123.08076	1.3
123.11691	3.1
127.11182	0.8
128.14342	3.0
131.08574	0.5
133.10104	4.3
135.11664	2.1
136.11165	0.8
137.09578	2.3
137.13226	0.9
142.15903	12.0
147.11682	4.0
149.13257	1.3
151.11197	1.4
151.14828	0.7
154.12260	5.9
161.13242	2.2
163.14832	0.9
165.12779	1.7
165.16418	0.8
168.13852	0.6
168.17409	0.7
172.13301	2.4
175.14812	1.6
179.14307	1.2
181.15887	0.6
182.19002	1.4
184.16870	0.5
189.16309	0.8
193.15923	1.1
196.13283	0.9
240.43420	0.5
242.21107	0.6
245.22610	3.7
262.25146	0.5
263.23700	5.5
280.23297	0.6
280.26358	12.9
298.27429	14.3
322.27353	3.8
340.28439	100.0
341.18594	0.6
341.28766	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	340.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77866	0.2
52.17623	0.2
55.05513	0.6
56.96572	0.2
57.03423	0.2
67.05505	0.7
69.07066	0.4
70.04593	1.0
70.04921	0.2
70.06580	0.8
71.04990	0.3
72.08153	0.6
79.05486	0.7
81.03422	0.5
81.07067	0.7
83.08628	0.3
84.04480	0.4
84.08150	0.6
86.06078	2.3
86.09707	100.0
86.89069	0.2
87.08120	0.3
87.10047	0.7
91.05486	0.6
92.05795	0.2
93.07053	0.4
95.04945	0.2
95.08598	0.4
96.87604	0.2
100.11266	0.7
104.10752	0.4
105.07020	0.3
107.04958	2.3
111.04485	0.3
114.05535	2.0
117.07035	0.3
119.08554	0.2
121.02834	0.2
125.09631	0.2
129.07069	0.2
131.04956	0.6
145.06496	0.2
148.07599	0.2
149.05974	0.2
150.09335	0.2
154.06468	0.2
172.95291	0.2
182.15482	0.3
184.07365	0.3
199.14453	0.5
210.14954	0.2
224.16663	0.2
227.13907	8.8
237.09297	0.2
267.06918	0.3
285.07681	0.2
310.14526	0.3
322.07166	0.2
322.14325	0.3
340.11890	0.3
340.15570	0.6
341.15674	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.6
57.03435	0.5
67.05498	1.2
68.05014	2.6
69.03421	0.6
69.07056	0.7
70.06590	0.7
71.04982	0.4
71.06483	0.7
71.06856	0.7
79.05463	1.7
80.05005	1.2
81.03404	1.9
81.07060	1.9
83.04974	0.5
83.06100	6.1
83.08599	0.6
85.02904	2.3
91.05482	1.0
93.07026	1.1
94.06528	0.5
95.06084	61.8
97.06505	0.5
97.33065	0.4
98.09821	0.3
105.07042	0.9
107.04935	1.3
107.06071	5.8
107.08563	0.3
109.07640	0.5
112.08723	11.6
113.07117	9.4
119.08579	0.8
121.06721	0.4
121.07628	3.9
121.10141	0.4
123.09200	0.8
125.39828	0.3
129.86421	0.3
131.08551	0.4
133.07611	3.9
135.09160	0.5
139.03831	0.3
147.11726	0.4
149.07033	0.5
159.92590	0.4
175.11150	0.5
193.12268	0.6
207.07716	0.5
243.87975	0.3
257.16440	0.8
259.17981	0.7
261.16046	0.5
275.17441	3.3
287.17566	0.9
293.18564	16.8
304.20251	0.9
305.18506	4.4
311.19580	2.7
322.21179	1.4
323.19614	15.3
339.23566	0.3
340.22284	100.0
341.22623	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	340.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.2
55.01860	5.6
55.05494	5.0
55.93524	2.1
56.96558	1.7
57.03175	1.4
57.03421	8.1
61.02937	6.8
67.05499	5.6
67.05840	1.4
68.05009	3.5
68.53678	1.5
69.03065	2.5
69.03423	32.8
69.07092	3.3
70.06583	14.2
70.99527	3.0
71.04984	6.7
72.08151	6.4
73.02902	6.0
75.57301	1.5
79.05479	5.6
80.05011	2.1
81.02967	2.5
81.03413	29.3
81.07045	5.6
83.04973	6.2
83.06087	6.2
83.08614	4.1
84.04496	25.7
84.08150	6.7
85.02899	95.9
86.09708	5.4
87.00826	40.2
91.03949	2.9
91.05472	5.5
93.07045	3.9
95.04971	5.0
95.06086	73.0
95.08601	2.5
97.02885	33.1
97.06625	1.3
99.04445	12.3
100.11238	1.5
102.05502	1.4
103.03949	1.4
103.05524	1.4
103.42033	1.3
105.01859	66.3
105.07027	4.6
107.04942	17.2
107.06046	3.0
108.04484	2.2
109.02872	23.8
110.07176	4.2
111.05534	2.1
112.03783	2.3
112.08726	18.8
113.07117	12.2
115.03968	2.1
117.01830	3.0
119.04976	1.9
119.08548	3.3
120.08099	6.0
121.06467	1.4
121.07630	2.2
121.10129	2.3
127.03905	66.2
129.01849	1.8
129.10193	2.6
130.04996	34.8
131.04822	1.2
131.08606	1.8
133.06618	1.5
133.07635	3.4
133.10162	2.0
137.06047	1.4
145.02812	1.4
145.04948	26.0
147.02951	1.8
147.11647	2.3
151.08469	1.4
159.02892	12.2
173.33719	1.2
175.11229	3.2
178.05812	2.0
189.04008	3.4
193.12170	7.0
204.13808	1.9
207.07652	2.0
211.13290	17.0
213.04037	1.8
231.04979	16.8
249.06097	3.7
293.18607	10.4
305.18597	2.8
311.19626	2.7
317.02484	6.5
322.16205	2.7
322.21347	3.5
323.19547	12.0
340.22302	100.0
341.20840	5.1
350.67288	1.4
353.69653	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.6
53.16133	1.8
55.01861	4.7
55.05497	2.4
56.05040	2.0
57.03428	4.1
58.79653	1.5
59.05001	1.8
60.04521	1.7
61.02908	4.3
68.05014	3.5
69.03426	24.9
69.34929	3.3
69.35271	17.7
70.02946	1.8
70.06588	8.3
71.04993	1.8
72.08125	1.7
73.02912	2.9
79.05486	3.6
79.65155	1.6
81.03417	14.1
81.07052	4.2
83.06102	8.4
84.04490	6.8
84.08131	3.8
85.02903	62.3
86.06055	13.2
86.09691	5.1
87.00821	30.0
87.04451	6.0
91.05462	3.0
95.04974	2.8
95.06084	67.9
97.02873	17.1
98.06049	1.8
99.04456	7.4
102.74628	1.9
105.01863	45.4
107.04954	25.3
107.06042	3.8
109.02862	13.9
110.07126	1.9
111.05566	1.9
112.08717	18.7
112.29651	1.6
113.07137	9.6
113.07799	1.6
117.70240	1.7
121.07593	2.2
124.07554	3.4
127.03914	41.0
128.07146	1.9
129.01833	2.4
129.10207	2.1
130.04997	3.5
130.08669	2.9
131.04486	4.4
133.07616	1.8
137.05977	2.0
140.07048	3.2
145.04950	20.3
148.05978	1.6
152.07106	4.2
159.02899	5.6
163.38066	1.6
180.06575	2.9
181.06139	1.7
189.03970	2.0
193.02988	1.6
198.07628	4.9
231.04985	11.0
234.09702	24.3
249.06010	3.1
261.59076	1.8
268.11670	2.8
275.17172	1.9
293.18515	9.7
305.18555	3.1
322.07181	2.4
322.21219	2.3
323.19720	13.3
338.31873	1.5
340.22293	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	3.2
55.93515	4.8
56.94303	1.9
56.96549	2.1
57.07058	3.3
57.27759	1.5
61.02922	2.0
61.28183	1.8
62.19473	1.4
62.83545	1.5
64.07784	1.5
67.05494	5.5
69.07059	7.0
70.04071	4.3
70.26323	3.6
70.26727	5.2
70.95855	5.3
71.04981	3.4
71.92999	2.9
72.93787	13.0
79.05489	2.8
81.03428	2.6
81.07046	6.2
83.06088	2.1
85.02898	3.2
88.96889	2.1
90.94841	11.8
91.05471	3.1
95.06086	9.5
105.07039	2.0
107.04960	2.3
107.08611	2.4
108.95845	3.0
112.08722	2.1
114.61925	1.7
115.07591	2.6
116.96385	2.1
128.96309	3.7
134.97441	2.5
138.98439	2.8
144.95775	2.2
144.99521	2.1
146.97404	2.9
151.02051	9.5
151.97659	1.7
154.97841	1.8
155.98782	1.6
156.99425	1.8
159.00993	2.0
165.00024	2.6
179.05141	3.4
184.01851	1.9
187.00513	2.1
197.07228	1.7
199.06917	2.5
229.05222	3.2
241.05162	8.8
247.06522	1.8
253.05197	2.1
255.06720	15.0
257.08282	2.5
267.06738	6.0
271.06314	1.7
273.07828	100.0
285.07785	15.5
291.08978	6.9
296.09326	10.2
299.09390	92.6
299.12875	2.5
300.09668	2.7
317.10452	35.4
340.08398	1.9
340.12006	8.1
340.18793	4.1
340.22302	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.1
55.05503	1.4
56.05036	0.9
57.03421	1.6
60.04514	2.8
67.05486	1.4
68.05020	4.1
69.03423	6.8
69.07053	1.0
69.47408	0.6
70.06578	4.4
71.04984	1.2
71.59608	0.8
72.08144	1.5
73.02902	1.0
74.02427	1.0
79.05485	2.2
80.05006	1.2
81.03411	4.1
81.07040	3.0
83.04979	0.9
83.06097	7.4
83.08620	1.1
83.39394	0.6
83.61877	0.5
84.04490	4.4
84.08109	2.6
85.02903	8.7
86.06059	37.5
86.09687	1.0
87.00823	1.9
87.04457	17.0
88.15842	0.6
89.06024	1.1
91.05440	1.3
93.07031	1.5
94.06553	1.2
95.04999	2.4
95.06083	72.9
95.08578	1.4
96.04473	0.8
96.08126	1.9
96.84776	0.6
97.02896	2.5
98.06042	5.6
99.04456	1.1
100.07587	1.1
102.05505	1.3
103.03932	1.9
104.07111	0.7
105.01865	4.2
105.07009	1.8
106.06587	0.6
107.04946	50.3
107.05988	4.6
107.08582	0.8
109.02864	1.7
109.07632	0.9
110.07159	1.2
112.03954	0.6
112.07564	1.9
112.08725	15.3
113.02284	0.8
113.07114	10.4
114.05529	1.6
119.06094	0.7
119.08580	0.7
120.06566	4.1
120.08099	1.4
121.06506	0.8
121.07620	3.1
121.10122	1.1
122.06029	0.6
123.09190	0.8
124.07571	11.0
126.05485	1.0
127.03898	3.4
128.07062	9.2
129.10196	0.9
130.04979	2.0
131.04454	0.6
132.08095	0.8
133.06665	0.6
133.07611	2.4
133.08546	1.1
133.10138	0.7
136.07603	0.8
140.07059	9.1
142.08598	1.3
145.02859	0.9
145.04970	1.3
146.08099	1.0
147.11624	0.7
148.06055	2.7
151.08681	0.5
152.07060	15.9
154.13480	0.5
157.09972	0.7
160.07532	0.9
168.06514	5.7
170.08116	2.3
177.05437	1.2
178.05806	2.0
180.06555	11.0
188.09177	1.0
193.12210	0.9
198.07602	14.0
206.10201	3.2
211.13251	0.6
216.08632	4.7
231.05025	1.0
234.09709	69.2
235.10085	1.2
257.16614	0.8
275.17523	2.3
287.17459	0.7
293.18579	11.2
305.18549	4.4
311.19589	2.1
322.21216	1.3
323.19629	15.8
340.22293	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.01866	2.0
55.05508	8.4
55.93512	5.1
56.94304	5.5
56.96539	1.0
57.03421	2.1
67.05498	5.2
67.23844	0.8
68.05006	2.1
68.94274	1.4
69.03417	2.1
69.07057	4.1
69.72781	2.0
69.73193	3.8
70.06592	2.6
70.95863	9.3
71.93001	1.7
72.93784	24.0
79.05486	5.5
81.03024	0.8
81.03418	7.7
81.07059	4.1
82.06570	1.9
83.04957	2.5
83.06093	3.0
83.08603	4.4
84.04509	0.9
84.08114	1.7
85.02888	2.7
86.09709	1.7
87.04437	0.9
88.03978	1.1
88.96896	5.2
90.94820	13.5
91.05471	11.1
92.05795	2.3
93.07032	3.9
94.06564	1.7
95.05021	3.9
95.05493	1.8
95.06082	28.2
95.08580	1.3
97.06531	2.3
97.10154	1.0
98.09709	1.0
98.21381	1.3
100.07626	1.5
100.11255	15.3
103.05452	0.8
105.07015	3.7
106.97966	1.2
107.04964	8.2
107.06076	1.4
107.08562	2.1
107.95066	1.3
108.08080	1.6
108.95850	4.6
109.06528	1.1
109.10154	1.2
109.64199	0.9
110.06027	1.5
111.04453	1.6
112.08711	7.8
113.07119	2.7
113.96368	1.7
116.96324	1.8
117.06980	1.0
118.94301	1.2
120.08072	0.9
121.02884	4.7
121.06442	1.9
121.10078	1.1
122.03188	2.5
122.06017	1.4
122.09632	1.1
125.96119	1.0
126.19814	0.8
126.98395	2.1
128.07036	2.0
128.96344	5.2
129.07034	1.9
130.97897	2.6
131.08571	2.3
132.95822	1.3
133.07628	1.0
133.10078	1.1
134.97389	2.0
134.98911	2.3
136.95338	1.8
138.98395	7.8
140.07037	1.3
141.11453	0.9
142.97896	2.0
144.95828	2.8
144.99460	3.6
145.06415	1.0
146.03195	1.3
146.97383	4.4
146.98880	2.2
147.11794	0.8
148.98967	2.7
149.00426	1.9
150.98419	3.3
152.96370	1.5
152.99947	1.1
154.97850	2.5
156.99458	2.9
158.97458	1.3
159.01013	1.8
160.98972	1.4
162.96904	2.0
164.98682	1.6
164.99983	16.4
165.03664	1.5
166.97891	11.9
168.99429	2.0
170.97423	3.6
172.98984	4.2
174.09145	2.2
174.36977	0.9
175.00467	1.7
175.09508	2.7
178.05823	1.3
178.97905	11.4
180.99466	5.3
182.15408	5.1
182.97369	3.8
183.01016	2.0
183.98291	1.0
184.98932	6.6
186.01158	1.2
187.00502	2.8
187.02049	2.4
188.01566	0.9
188.98300	1.0
189.03561	7.0
191.01628	1.3
192.99432	3.3
193.12117	1.4
194.94160	1.4
195.01088	2.9
196.98930	4.4
198.96912	0.9
199.00554	1.7
200.98447	3.4
207.01070	2.0
208.98862	1.1
209.02585	2.5
209.16451	1.9
210.14870	6.5
211.00578	1.6
211.13286	1.0
211.92519	1.0
212.98573	1.1
213.02113	1.1
213.17781	1.8
214.99911	2.4
215.01668	1.6
215.03511	0.8
217.03101	8.9
219.01146	1.9
219.04579	1.6
220.98953	1.3
223.00658	1.0
225.02097	2.2
227.17511	5.6
233.02533	1.6
235.04170	3.0
237.05647	4.2
239.03702	1.6
243.01134	1.0
245.02536	1.4
249.02090	1.7
251.03560	1.1
253.05196	7.4
255.06770	3.4
261.02048	3.0
263.03632	15.2
271.06244	10.9
273.07776	3.3
276.72748	3.2
279.03073	1.9
281.04688	47.6
293.18542	4.3
299.05750	100.0
300.06122	1.7
304.06232	2.0
305.18314	1.7
313.07568	1.2
317.06802	18.3
322.07251	9.1
322.10211	1.0
323.19556	5.1
340.08545	2.2
340.18536	1.5
340.22202	36.7
343.30673	3.0
344.30417	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.253
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03951	2.9
55.05511	17.8
56.96559	3.2
57.03432	6.7
57.07068	7.1
61.96160	2.1
64.90746	2.0
65.03954	2.8
67.05508	100.0
69.07071	18.2
71.04994	4.5
71.08633	2.9
74.66931	2.1
76.30544	1.9
78.89245	2.1
79.05499	46.1
81.03423	2.8
81.07059	95.4
83.04967	1.9
83.08623	10.3
85.06529	3.7
91.04958	3.1
91.05484	28.3
93.07050	61.6
95.04969	4.6
95.08609	78.1
97.06516	4.8
97.10140	2.3
99.08073	4.0
105.07028	24.9
107.04917	3.9
107.08597	44.6
109.06510	5.0
109.10160	45.9
116.98659	3.6
117.07012	10.8
119.08584	16.3
120.96034	1.9
121.06493	2.5
121.10156	39.9
121.11015	2.9
123.11716	18.1
131.08577	24.3
133.10135	16.9
134.99646	2.7
135.11688	29.6
137.09683	2.0
137.13260	7.9
143.10504	2.2
145.10115	18.4
147.11668	16.8
149.13281	19.8
159.11691	18.2
161.13251	6.6
163.14801	8.5
173.13307	16.2
175.14818	2.8
177.12811	2.7
187.14798	4.1
202.18852	2.0
214.28116	2.1
219.21204	3.4
223.29129	2.0
229.19518	25.6
247.20580	67.9
248.20898	3.7
265.21634	5.2
283.16965	11.6
296.82339	2.8
297.26038	3.1
321.24225	4.1
339.25314	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	339.2527
Annotation	Havardic acid C
Peak:m/z	Relative Intensity
55.01877	2.4
55.05505	19.7
57.03437	2.1
57.07070	20.4
61.02902	2.7
67.05499	24.5
69.03410	4.0
69.07061	25.3
71.04987	2.8
71.08626	11.1
71.59254	2.3
72.04515	10.4
73.02898	4.5
79.05487	12.8
81.07052	36.9
83.04971	3.9
83.08615	10.3
85.02892	2.7
85.10175	19.9
89.06036	3.2
91.05474	7.9
93.07032	17.3
95.04964	10.7
95.08037	3.1
95.08598	34.0
97.02866	5.2
97.06520	6.3
97.10170	6.6
103.02473	1.6
104.65509	1.9
105.07030	16.2
107.08582	16.1
109.06502	31.8
109.10147	10.2
111.08035	2.6
113.09635	18.9
117.06973	4.1
119.08585	12.8
121.06489	10.2
121.10133	10.1
123.08082	5.2
123.11690	3.8
125.09630	2.6
131.08549	5.9
133.03461	7.2
133.10106	3.7
135.08046	9.1
135.11685	3.2
137.13284	2.0
145.10115	8.4
147.11697	5.2
149.13219	2.8
151.04500	6.8
153.12709	4.9
155.10725	2.1
159.11700	2.3
163.11064	2.5
173.13264	4.6
175.04446	4.1
175.11214	2.0
175.14789	2.9
177.12714	2.9
179.14290	54.5
181.15923	11.4
183.11671	2.0
187.04529	4.2
191.14302	7.0
193.04994	4.3
201.06113	3.5
201.12599	1.8
205.15851	3.0
209.15314	3.3
211.04497	3.2
217.05551	3.2
219.17368	2.2
220.06882	2.8
229.96124	1.8
251.16350	8.1
257.22702	2.6
265.25235	3.8
275.23660	19.7
285.22165	3.3
293.24786	4.2
295.08789	6.6
303.23166	52.9
304.23419	3.9
321.24207	100.0
322.24554	7.9
326.79199	1.9
333.24915	2.7
339.18970	6.5
339.28171	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	339.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	15.9
55.05508	32.8
56.96563	15.9
57.03435	8.1
67.05508	64.4
69.03415	7.3
69.07068	20.1
71.58878	9.0
73.76186	5.2
79.05492	32.0
81.07053	65.0
83.04978	20.4
83.08625	14.3
91.05476	49.8
93.07053	39.8
95.04984	15.3
95.08621	34.5
97.06538	14.1
97.10168	18.9
105.07034	37.8
107.04962	10.5
107.08595	42.1
109.06532	13.0
109.10165	49.7
111.08096	13.1
116.98685	6.2
117.06991	13.5
119.08591	26.9
121.06504	8.6
121.10147	13.1
123.08097	12.8
123.11745	7.3
125.09642	17.5
126.13776	5.5
131.08598	14.3
133.10139	46.8
135.08040	12.1
137.09602	41.7
149.02344	12.8
149.09631	8.2
151.11189	17.0
159.08099	9.6
161.09648	7.9
163.07553	7.1
167.05560	6.1
183.10190	23.2
183.13850	7.3
192.95419	5.8
197.13264	5.4
244.03140	5.3
247.16943	10.1
247.79079	5.5
259.00885	5.6
261.18546	9.1
265.18076	6.8
271.16962	17.0
274.97736	8.8
279.19742	6.8
283.16931	12.0
289.17975	100.0
289.20901	11.0
292.98514	7.6
307.19016	22.1
339.21616	26.6
340.28247	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	339.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62810	16.8
54.07188	16.6
55.05498	35.1
60.74110	17.5
67.05501	76.1
69.07062	40.0
69.54157	18.0
71.45356	18.6
72.50764	16.7
73.48061	21.2
79.05486	56.4
81.07073	100.0
82.07394	32.5
93.07030	50.1
95.08591	61.7
105.07018	21.9
107.08591	24.6
109.06517	25.0
113.54710	18.0
135.11693	18.6
139.07573	18.0
159.11636	22.3
289.17990	43.2
339.27011	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03736	4.2
53.03945	23.8
53.04159	4.2
55.01860	15.7
55.03004	8.0
55.05512	42.5
57.03442	18.9
57.07063	15.4
64.99309	3.9
67.05502	87.3
68.05847	5.8
69.03406	8.2
69.07066	65.0
69.77694	22.6
70.07391	6.5
71.04990	32.9
73.02905	4.5
73.06555	16.5
79.05492	63.1
81.03393	34.8
81.07055	89.9
82.04070	13.3
83.04973	84.6
83.08630	8.2
85.06543	11.8
91.05473	56.7
93.07033	78.8
95.04958	37.8
95.08600	51.1
97.06541	18.4
97.10159	6.8
99.04446	11.1
99.08093	6.9
100.05100	64.9
101.05437	6.8
101.06041	4.4
101.09650	40.3
102.10005	12.8
105.07032	43.3
107.04941	35.2
107.08586	29.1
108.05670	3.9
109.06514	24.7
109.10152	17.3
111.04440	9.2
111.08109	9.3
114.06659	12.6
115.07549	7.8
117.06998	21.9
119.04909	5.0
119.07834	6.3
119.08556	30.8
121.06494	9.3
121.10150	19.1
123.04423	6.9
123.08066	16.4
125.05978	14.4
127.07545	3.4
129.06999	16.8
129.09109	7.9
131.04852	3.8
131.08559	30.6
133.06485	16.0
133.10123	21.9
135.08034	10.2
135.11679	17.0
137.09666	4.5
141.07013	5.1
143.00749	4.1
143.08563	13.8
145.06500	9.3
145.10132	17.6
146.07224	4.9
147.08044	13.4
147.11673	14.5
149.05916	6.4
149.09673	6.3
149.13292	12.4
151.07555	10.7
151.11169	5.0
155.08539	10.9
157.10120	9.9
159.08051	13.5
159.11655	21.8
161.09604	17.4
161.13274	3.8
163.07559	11.1
163.11168	12.9
171.11700	14.1
173.09621	8.6
173.13225	7.0
175.11241	6.0
177.09073	8.3
177.12767	16.7
183.10101	6.5
185.13277	4.6
187.11168	12.7
189.12743	10.1
191.14270	6.3
196.06038	5.3
199.07169	4.9
199.11183	6.3
205.12135	5.5
205.15884	8.2
207.13744	11.2
210.04280	6.0
217.12302	7.4
219.13698	6.4
221.15453	5.0
225.06079	6.7
225.16487	5.0
226.05614	11.8
233.15396	15.4
237.14905	10.4
243.17406	10.6
253.15913	10.5
261.18460	20.2
271.17014	26.0
289.14929	7.5
289.17981	100.0
292.98517	5.3
303.19543	15.9
307.09610	3.9
307.19122	5.5
321.20587	19.5
339.12994	23.6
339.18408	18.2
339.27875	6.8
340.12231	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.2
55.01863	16.1
55.05506	42.1
56.27047	4.3
56.96565	17.1
57.07062	4.7
62.11402	5.0
63.47435	5.3
63.80340	4.6
67.05503	52.9
68.04771	4.8
69.03439	5.7
69.07067	22.4
71.59205	8.3
79.05486	27.2
81.07046	40.4
83.04989	6.7
83.08616	19.7
85.02907	9.1
91.05474	40.8
93.07048	37.1
95.04980	14.0
95.08601	32.0
97.06537	10.6
97.10173	22.6
105.07033	30.0
107.08581	33.3
109.06552	13.6
109.10143	41.3
111.08109	10.8
116.98641	6.3
117.07028	12.2
119.08562	31.1
121.10148	14.3
123.08091	12.3
125.09638	16.5
131.08559	13.5
133.10100	42.4
135.08046	10.7
137.05974	6.3
137.09608	35.0
143.01654	4.9
143.08554	6.2
145.10052	10.4
147.11664	7.9
149.02386	9.0
149.09596	9.8
151.07430	5.3
151.11168	13.1
159.08081	10.6
159.11737	6.8
161.09708	7.7
163.07581	9.4
165.09125	5.4
173.09575	7.9
177.00227	5.2
183.10156	18.6
183.11571	5.9
183.87750	5.5
191.10651	9.2
193.04993	5.2
203.12862	8.1
237.11166	5.8
241.02695	5.0
243.17288	5.9
247.16916	10.4
253.15834	5.9
261.18488	10.2
271.17026	16.7
275.20090	6.7
279.19724	8.8
289.17953	100.0
307.19049	21.5
339.21964	15.3
339.28162	5.3
340.28125	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	339.2067
Annotation	Epicainide
Peak:m/z	Relative Intensity
53.03934	0.6
54.20267	0.3
55.05504	0.9
56.05035	0.4
56.09312	0.3
57.03426	0.4
58.01593	0.3
62.05132	0.3
66.67822	0.2
67.05507	0.3
69.07089	0.5
69.26334	0.4
69.26733	2.9
70.06586	0.9
72.08142	1.7
73.08487	0.4
78.91197	0.2
79.05479	1.7
81.03409	0.4
81.04530	0.5
81.07060	0.3
82.06582	1.4
84.04521	0.4
84.08141	63.1
85.02885	0.3
85.08478	0.4
86.09708	1.2
87.04459	0.3
89.06013	0.4
91.05474	0.8
93.07051	0.4
95.04987	1.3
95.06094	0.6
96.08125	4.1
97.06534	0.5
98.09689	16.7
105.04529	0.4
105.07032	0.3
107.04951	100.0
108.05284	1.9
110.09736	0.3
112.08715	0.4
112.11263	0.8
120.08111	0.5
125.10751	4.8
127.12323	0.6
134.06154	0.3
136.07568	3.4
145.06534	0.3
147.08110	0.3
150.09114	0.7
162.09152	0.7
176.10745	1.2
177.05374	0.5
190.12283	2.4
191.08154	2.3
204.13896	0.8
205.09703	1.8
225.16754	0.6
231.14937	2.5
232.15605	2.2
233.16473	12.2
234.16942	0.4
240.81323	0.3
242.11713	3.5
307.12802	0.5
322.25528	0.5
339.16046	1.1
339.20685	27.1
339.84845	0.3
340.21558	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	12.9
55.01851	7.0
55.05511	25.7
57.03433	8.7
57.07066	9.4
59.04959	2.7
62.98251	10.3
63.72776	1.8
65.03921	2.9
67.05503	41.3
69.03415	3.9
69.07068	14.0
71.04987	23.1
71.95318	1.7
73.02911	1.9
77.00847	2.5
79.05064	2.4
79.05489	38.4
81.03411	25.5
81.07053	54.4
83.04555	2.0
83.04980	28.7
83.08611	5.7
84.91240	1.5
85.06509	6.1
91.04980	2.3
91.05481	36.6
93.06490	2.6
93.07040	42.0
94.07355	2.0
95.01911	3.7
95.04967	16.2
95.08049	2.2
95.08601	32.2
97.06507	5.3
97.10142	2.9
98.20736	2.5
101.05945	2.1
105.07015	24.8
107.04950	21.0
107.08600	13.6
109.05897	1.6
109.06513	19.0
109.10140	8.6
110.06973	2.1
111.04425	2.9
111.08047	5.0
113.05993	1.5
117.07034	11.4
119.04900	3.0
119.08569	19.3
121.06484	10.1
121.10145	10.8
123.04386	3.4
123.08094	10.5
125.05971	3.4
125.09608	2.3
128.06194	2.5
129.06999	10.9
131.01854	2.2
131.07024	2.6
131.08560	18.8
133.06451	6.8
133.10129	14.8
135.08003	8.5
135.11697	10.4
137.09537	3.2
139.07562	1.6
141.06975	4.3
142.07738	1.9
143.08562	10.6
145.02364	1.6
145.06439	7.3
145.10110	10.5
147.08006	8.0
147.11642	6.0
149.09558	5.6
149.13225	4.3
151.11113	1.9
151.44800	1.7
155.08456	4.8
157.06468	1.6
157.10088	7.8
159.08055	10.3
159.11658	10.4
161.09570	10.6
161.13199	3.9
163.07455	2.2
163.11113	4.7
165.09053	2.4
169.10112	9.6
171.11720	8.3
173.09503	5.2
173.13203	7.2
175.11150	8.0
175.14957	1.6
177.09087	2.7
177.12762	10.2
179.10669	2.1
181.09982	1.7
183.10168	3.5
183.11661	3.6
187.11217	7.6
187.12596	1.7
187.14696	2.1
189.12708	2.7
191.14259	3.5
195.10187	2.3
197.13202	3.1
199.11053	2.1
201.12688	4.1
205.12155	2.8
207.13809	10.0
215.14275	3.1
217.12212	4.0
219.13730	5.9
221.15421	2.9
229.12512	2.1
231.13762	3.5
233.11723	3.0
233.15306	6.2
237.14815	5.1
239.09370	1.7
243.17374	3.6
253.15866	3.7
261.18466	7.1
263.16266	4.7
269.11172	5.7
271.16910	18.2
289.17944	44.3
299.18378	4.6
303.19485	22.3
315.17966	3.6
317.19620	10.5
321.17184	7.6
321.21155	9.5
335.20654	15.0
339.18872	100.0
340.19177	3.1
358.22083	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	339.1546
Annotation	Aziridyl benzoquinone
Peak:m/z	Relative Intensity
53.03944	1.1
54.01079	0.5
55.01866	1.0
55.05518	1.3
56.05001	0.6
57.03423	2.5
61.02913	1.6
65.03920	0.8
67.05496	1.6
69.03419	4.9
69.07089	0.7
69.98042	1.7
69.98457	1.1
70.06574	1.6
71.01331	0.9
71.04977	1.7
72.08148	5.0
73.02901	1.3
73.08494	0.8
79.05481	2.2
81.03429	1.2
81.04526	1.3
81.07041	1.2
82.06592	1.4
83.08585	0.7
84.04517	1.2
84.08135	21.5
85.02885	1.0
86.06056	0.8
86.09696	1.0
87.04443	1.4
89.06020	1.5
91.05474	3.4
93.07049	1.3
95.04985	0.6
95.06061	1.6
95.08589	1.1
96.08125	1.5
97.06513	1.9
98.09692	4.2
99.04442	1.8
100.11254	0.6
105.07011	1.0
107.04945	33.1
109.02863	0.6
112.08665	0.9
117.06969	0.7
118.06536	2.2
120.08096	1.1
121.06456	0.9
123.04398	0.7
124.07501	0.6
125.10730	1.3
130.04991	0.8
130.06546	0.6
130.08580	0.7
131.08562	0.8
132.07993	0.7
135.24190	0.5
135.75789	0.6
136.07590	1.3
140.45616	0.5
145.06529	0.7
145.07591	11.9
145.10129	0.9
147.08078	1.1
147.09163	9.0
159.09158	3.2
160.09973	0.6
168.10002	0.6
173.07098	1.6
175.08687	0.7
177.05466	0.9
185.10753	1.7
190.12190	0.7
191.08139	100.0
192.08452	1.7
197.13205	0.5
205.09702	54.4
206.09972	1.4
213.10152	0.5
219.08092	0.7
219.10059	0.8
224.16476	0.9
225.16656	1.3
231.14961	0.7
232.15660	0.9
233.05801	0.7
233.16414	3.3
263.13922	2.4
289.11868	1.1
307.09662	0.6
307.12827	10.6
311.12949	0.6
322.26071	1.2
327.07339	0.6
338.67130	1.0
339.15482	84.4
339.20273	6.2
340.15741	1.6
340.22153	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03725	0.2
53.03941	1.7
55.01859	0.5
55.05497	0.4
57.03423	0.6
60.27710	0.1
61.02917	0.2
63.02369	0.1
65.03936	3.3
66.13728	0.1
67.01863	0.2
67.05513	0.3
68.99776	0.7
69.03422	4.4
69.07071	0.2
69.64324	0.3
69.64742	0.9
70.04066	0.2
70.06586	0.8
71.04982	1.3
72.08136	0.5
73.02899	0.2
73.08523	0.2
76.76258	0.2
79.05488	0.7
81.03412	10.8
81.07053	0.4
83.04982	0.7
84.04495	0.3
84.08132	0.5
85.02901	3.8
86.09704	0.3
87.00831	1.6
87.04507	0.1
88.07631	0.4
88.56835	0.3
89.06032	0.2
89.98933	0.1
91.05473	100.0
92.05804	0.6
93.07030	0.4
95.04963	0.6
95.06088	0.2
95.08592	0.3
97.02885	1.8
99.04443	2.1
103.05442	0.4
105.01861	0.5
105.07032	0.7
107.04949	1.2
107.08573	0.2
109.02870	8.9
109.06518	0.2
111.04430	1.0
111.05582	0.3
115.03975	0.2
115.05452	0.4
117.07018	0.6
119.04936	0.4
119.08546	0.3
120.08093	0.3
121.02859	0.3
122.06003	0.1
123.04424	0.6
124.07632	0.2
125.02385	0.3
127.03908	8.4
128.06212	0.2
129.01866	0.3
129.05476	0.4
129.07001	0.6
131.04927	0.4
131.08557	0.2
133.06476	0.4
135.04385	0.5
136.07553	0.2
137.02278	0.2
137.05971	0.5
138.12787	0.4
139.13127	0.3
141.07016	0.2
143.08528	0.3
145.02832	0.3
145.06494	0.5
147.04433	0.5
147.08078	0.2
149.05998	0.2
151.03915	0.7
153.06935	0.3
155.04912	0.2
159.11758	0.2
161.05963	0.4
161.44545	0.2
165.05501	0.2
168.13858	0.4
169.14151	0.4
170.14487	0.2
171.08012	0.2
173.06030	0.2
175.07530	0.2
177.05406	0.7
189.05495	0.3
193.05014	0.2
199.07524	0.4
204.06573	0.2
207.06534	0.3
213.03992	0.4
214.14418	0.6
215.14801	1.0
216.14972	1.2
217.04938	0.2
217.08636	0.2
224.54601	0.2
231.05035	0.4
231.11935	0.2
235.05972	0.4
253.07108	0.3
265.14304	0.2
278.09265	0.2
279.10339	0.2
307.09564	0.4
339.12381	0.7
339.18768	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	0.6
53.03947	0.9
55.05509	4.4
55.12301	0.5
57.07072	100.0
58.07417	1.0
59.04993	3.2
60.04522	0.6
64.33334	0.5
67.05501	5.3
67.36237	0.5
69.07062	5.8
70.06601	0.7
71.08636	1.1
71.11394	1.2
76.67460	0.5
79.05505	2.1
81.03442	0.6
81.07050	9.5
83.05004	0.6
83.08604	3.1
85.06548	3.2
91.05486	2.2
93.07050	2.4
95.04979	2.2
95.08608	4.7
97.06526	3.3
97.10149	1.1
105.07005	1.1
107.08604	1.1
109.06513	5.1
109.10164	2.3
110.07291	2.6
111.04460	0.5
111.08095	1.1
113.06024	1.0
119.08549	1.2
121.10143	1.1
123.11699	2.6
125.01557	1.2
125.06007	2.2
126.99492	0.7
127.07581	0.9
129.01044	1.1
131.07065	2.1
133.10152	1.2
135.11697	1.7
137.05992	6.4
137.09607	0.9
137.13295	0.9
138.06711	0.7
138.99457	15.4
139.00529	1.1
139.03148	0.8
139.19408	0.5
142.15836	0.6
146.07292	0.6
147.11774	0.7
148.12506	0.8
149.13292	1.2
150.14032	1.9
151.14809	0.5
153.04613	0.5
153.09264	0.6
154.12268	1.0
154.98999	0.9
155.07027	5.2
156.09361	1.0
158.97621	3.1
164.90863	0.6
165.01102	0.7
165.12766	1.0
167.02654	0.6
169.12187	0.9
179.02713	0.6
182.19154	0.5
194.32745	0.5
195.02150	0.9
197.11740	1.2
209.03677	0.7
209.13437	0.6
211.05211	1.2
212.99573	1.5
219.05782	0.7
225.03145	0.7
237.06824	1.9
237.09004	0.6
238.27892	0.6
244.00424	0.8
245.22786	0.7
247.05154	0.6
253.06104	0.7
263.23645	1.4
265.06281	8.9
279.28012	1.3
280.26361	5.7
281.09479	2.0
283.07306	11.4
283.10425	0.8
283.24936	0.6
287.08432	0.5
297.29010	6.0
321.12476	4.5
322.27475	0.6
339.13596	23.5
339.16809	0.9
339.30203	11.5
340.14169	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.105
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96540	1.8
57.92548	0.6
63.32005	0.6
68.96633	0.6
69.03400	0.8
70.06573	2.0
70.44581	2.4
77.18845	0.5
81.07031	1.0
83.06107	0.9
84.04501	1.8
84.08113	1.4
85.02879	1.3
91.05457	0.7
95.06093	9.5
96.22562	0.6
97.06522	1.1
98.09651	0.6
98.97587	1.0
107.04929	2.5
110.07106	0.6
112.08727	1.1
116.09518	0.7
116.98624	1.5
119.04922	0.9
124.04823	0.6
124.07568	0.7
130.04930	0.7
134.99661	1.1
137.05968	1.7
141.00188	0.7
146.99597	0.7
147.04395	2.8
149.05945	0.6
156.49847	0.7
161.01170	0.9
163.12297	3.9
164.07001	0.9
175.12387	0.9
177.00713	0.8
177.05295	0.7
181.13245	0.6
185.04207	2.4
186.54951	0.6
186.86780	0.6
187.02773	0.7
193.13358	3.5
207.11365	0.8
210.16014	12.8
212.98451	1.7
213.00601	1.5
237.02798	1.9
261.09546	0.7
283.00851	0.7
321.08136	1.0
321.19141	4.7
339.10440	100.0
357.04840	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0475
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74298	9.7
56.96556	14.7
57.03439	14.4
61.02900	9.9
69.03404	21.9
70.26821	10.2
71.34358	20.1
73.02903	36.9
84.04495	16.4
85.02894	47.2
85.07557	11.3
91.05433	16.8
95.31741	9.4
97.02872	17.8
98.97592	27.8
105.02195	12.7
107.04904	20.3
116.98617	26.0
119.01907	41.3
119.04931	30.5
120.10934	10.9
121.01662	24.1
131.01837	13.3
133.01682	19.0
134.99696	19.1
135.03209	17.8
143.01855	16.3
145.01724	14.2
147.03232	36.8
147.04391	100.0
151.04691	10.1
153.04276	11.8
157.01585	15.2
159.03203	16.3
161.02939	22.3
163.02713	10.5
164.07140	17.4
173.01239	13.9
173.02820	25.7
175.02791	18.7
177.00711	18.7
177.04285	13.9
179.02063	12.6
185.02939	11.8
191.02225	14.5
197.02931	14.4
213.04524	12.6
219.01726	46.8
237.02803	38.5
245.05275	12.1
251.04381	35.4
279.07556	17.9
297.08554	21.9
309.04968	21.1
327.05927	12.8
339.04813	46.0
339.11057	12.5
345.59137	10.1
357.06741	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	339.0475
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26843	3.4
55.05505	6.7
56.05020	6.5
56.96295	4.9
56.96560	82.6
58.52961	3.4
60.04514	5.0
67.05508	4.8
69.03431	6.5
69.52644	3.3
70.06584	32.9
70.98132	3.6
71.59295	6.5
72.08150	11.4
74.06101	3.8
79.05497	4.1
81.07023	6.5
83.06083	9.3
84.04466	7.8
84.08132	18.1
84.96031	21.2
85.02893	8.4
86.09698	14.0
87.05567	4.3
91.05468	8.4
95.06065	7.7
97.02863	6.8
97.06543	4.0
98.97573	44.3
107.04955	31.2
108.05346	4.2
110.06076	4.9
110.07084	5.0
110.97554	7.2
116.98613	46.6
119.04929	10.0
122.05973	4.6
123.04397	4.9
124.07569	6.9
128.98601	17.2
129.10245	7.3
130.05022	6.0
131.00111	6.6
132.57991	3.6
134.06007	4.5
134.19241	3.6
134.99658	33.8
136.07591	23.4
143.00093	9.7
146.05907	3.8
146.99620	31.7
147.03308	4.1
147.04344	19.9
148.04753	3.6
149.01253	5.2
151.00597	4.0
152.07047	25.7
158.99609	9.9
161.01221	33.6
162.99156	6.1
164.07076	26.8
165.00775	10.0
169.01682	26.7
177.00748	10.9
177.05447	12.8
179.00134	6.6
179.02287	11.3
182.08101	15.2
187.02769	40.3
189.00734	6.4
194.99696	12.2
197.01276	19.8
201.00735	6.0
205.03790	7.2
213.00674	100.0
213.02695	5.9
214.00784	4.8
219.01758	44.8
227.02109	18.2
231.01765	26.6
232.13983	4.3
233.14371	6.5
237.00644	5.4
237.02771	72.3
255.01653	19.2
267.01816	23.7
279.01785	4.4
281.03223	5.7
285.02701	30.1
303.13458	15.7
321.02704	8.0
325.67432	4.3
339.03915	80.7
339.15274	3.8
339.19785	6.7
340.04086	6.6
340.22278	4.7
357.00974	6.0
357.04852	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.28
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
55.05511	2.2
56.05039	0.6
56.96575	0.5
57.03434	1.1
57.07060	0.5
58.06605	0.5
61.02939	0.4
65.03934	0.8
67.04263	0.7
67.05508	2.6
67.45641	0.4
68.05034	0.6
69.03418	0.6
69.07060	2.3
70.06599	2.2
71.05003	1.2
71.08638	0.6
72.08150	100.0
72.93777	0.5
73.08493	1.2
79.05501	2.4
80.05013	1.0
81.03411	0.7
81.07070	2.2
82.06572	21.8
83.04981	0.5
83.08612	0.7
84.04514	1.6
84.08138	20.9
85.02910	1.3
85.04847	0.4
86.09699	8.5
87.04516	0.4
87.60912	0.4
88.11254	3.3
89.11593	0.9
91.05473	4.4
93.07036	2.2
94.06580	1.2
95.04962	0.9
95.06099	0.5
95.08591	1.4
96.08154	2.1
97.08916	1.1
98.06062	1.2
98.97592	0.5
105.07014	2.4
106.06558	0.7
107.04957	4.9
107.08592	1.3
108.08108	4.5
109.06533	0.7
109.35339	0.4
110.06053	0.4
110.09687	1.5
112.11240	5.9
116.98648	0.4
117.07005	0.8
118.06560	0.6
119.08601	2.0
120.08111	2.6
120.08805	0.4
121.02860	7.2
121.06518	1.3
122.03188	5.1
122.06039	0.9
122.09692	1.3
123.08069	0.4
124.07561	0.4
130.06561	0.5
131.06848	0.6
132.07993	0.4
132.10208	1.2
133.06482	0.6
133.10149	1.1
134.09660	1.1
134.99530	0.4
135.04405	2.4
135.10011	0.5
135.11729	0.6
136.07593	0.5
137.05980	1.1
143.08588	0.9
145.10181	0.8
146.06010	0.7
147.04318	0.5
147.08006	2.0
147.11639	0.4
148.07671	0.4
151.07513	1.0
154.12273	0.9
155.12599	1.2
160.11201	0.5
161.09627	3.5
162.97029	0.6
163.11195	0.4
171.14949	1.3
172.03975	0.7
172.15271	1.0
174.09177	0.5
177.05475	0.8
179.10703	1.1
183.88593	0.4
188.07077	0.5
189.09103	2.3
199.14444	0.6
200.12817	1.1
200.14603	0.7
201.13199	1.6
204.06517	0.9
207.10132	2.8
211.45302	0.4
217.15359	2.0
218.11772	0.7
218.15839	2.6
222.14706	0.4
224.16440	44.0
224.36148	0.4
225.11217	0.4
225.16751	0.9
226.17984	2.9
232.16936	2.0
250.18027	4.0
252.19707	0.6
267.20648	10.2
267.23550	0.7
268.21091	0.5
269.22195	2.7
274.18021	5.8
275.18213	0.6
278.98163	0.4
292.19052	2.2
311.12955	0.4
320.18616	3.7
320.26266	0.5
321.25357	24.4
322.25769	0.9
338.15985	0.9
338.19730	1.5
338.27972	34.5
339.13416	0.8
339.28372	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
55.01877	2.3
55.05509	4.4
56.05030	0.7
57.03441	1.8
58.06605	2.0
59.05013	0.5
62.04445	0.4
64.10359	0.4
65.03947	0.4
67.04241	0.8
67.05504	3.2
69.03441	0.6
69.07063	1.7
69.50016	2.7
70.06586	3.7
71.05009	0.6
72.04512	0.6
72.08157	100.0
73.08497	0.5
79.05494	3.7
80.05025	1.1
81.03413	1.1
81.07041	3.5
82.06580	23.5
83.05009	0.9
83.08636	1.7
84.04502	4.5
84.08145	25.3
85.06556	0.7
86.09688	2.1
88.77071	0.4
91.05485	4.4
91.56065	0.4
93.07040	3.1
94.06583	1.4
95.04977	1.3
95.08624	2.5
96.08144	1.9
97.06522	1.0
97.08939	1.5
97.10141	0.5
97.70483	0.4
98.09721	1.0
98.21452	0.9
100.11234	2.3
104.13402	0.4
105.07059	2.7
106.06602	0.6
107.04961	6.9
107.08598	1.8
108.08134	4.0
108.21174	0.4
109.06506	0.9
110.07155	0.9
110.09689	1.5
111.04467	1.1
112.11240	6.2
117.07014	1.3
118.06559	0.8
119.08595	2.0
120.08105	3.9
121.06554	0.5
122.09701	1.1
123.04424	0.7
123.08086	0.8
129.07066	0.8
129.10255	0.8
131.04936	0.9
131.08580	1.5
132.35191	0.5
133.06471	0.7
133.10149	0.9
135.08061	0.5
135.11736	0.5
136.07529	0.6
137.05995	0.6
140.10695	3.0
145.07629	0.6
145.10110	0.8
147.08035	0.5
147.09247	0.6
147.11691	1.4
153.05486	0.5
154.12257	4.5
155.08504	0.5
159.11678	0.9
161.13272	1.7
163.98576	0.5
168.10257	2.8
171.11679	1.3
171.14955	1.2
182.15590	0.8
191.08177	5.2
191.14351	0.6
201.12627	0.9
205.09714	3.1
206.15410	0.5
207.13802	3.3
210.14925	0.5
219.13815	1.1
224.16458	45.1
225.16794	0.9
226.17992	3.0
232.16995	1.8
237.15004	0.5
247.13295	2.0
250.18024	4.1
252.19635	0.5
264.15927	0.7
265.14291	1.2
267.20694	10.0
269.22263	2.6
281.18646	2.0
321.25360	26.4
322.25717	0.7
338.24435	1.7
338.28012	29.3
339.15121	2.5
339.18079	4.6
339.28268	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2688
Annotation	Melophlin I
Peak:m/z	Relative Intensity
50.48453	1.2
53.03940	2.0
55.01860	6.1
55.05511	11.3
56.96556	4.3
57.03434	2.4
57.07074	2.9
57.36314	1.4
62.06090	100.0
65.03925	1.8
66.57210	1.2
67.05510	19.6
69.03418	4.0
69.07084	7.0
70.06589	1.7
71.04985	1.5
71.08628	14.8
71.67976	1.3
72.08141	3.7
79.05495	18.0
81.03418	4.3
81.07056	18.1
83.04963	5.1
83.08605	4.0
83.19685	1.4
84.04498	2.5
84.08139	3.0
85.10188	7.1
86.06080	2.4
86.09686	2.1
91.05479	12.5
93.07033	12.6
94.04270	1.5
95.04975	7.1
95.08603	13.5
97.06519	2.0
97.10179	1.8
98.06048	5.7
99.08083	12.2
105.07034	10.4
107.04948	11.7
107.08603	8.4
108.05277	4.0
109.02891	1.4
109.06528	2.9
109.10146	3.7
111.08089	2.0
112.07561	1.6
113.09650	6.5
113.10339	1.3
117.07000	2.6
119.04949	1.3
119.08587	5.4
120.08115	1.7
121.06489	1.7
121.10144	3.9
124.11175	3.0
129.07042	1.6
131.04895	3.1
131.08559	3.7
132.05296	1.9
133.10114	5.3
135.11694	3.1
143.08588	2.1
145.10129	4.5
147.11667	5.9
149.09615	3.6
149.13246	2.6
151.11180	4.6
157.10133	1.8
161.13217	3.9
163.11197	2.2
165.12750	3.4
171.11763	2.6
196.13329	5.3
208.17020	6.4
214.14412	9.9
222.18507	9.8
226.18034	8.0
232.08438	2.0
240.19606	12.0
259.20581	4.0
262.09427	2.0
262.24463	1.5
264.15906	1.6
277.21613	4.7
320.25858	88.8
321.25894	2.3
338.14407	4.9
338.23740	1.8
338.27063	18.6
339.17719	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	338.2688
Annotation	Melophlin I
Peak:m/z	Relative Intensity
54.17877	1.8
55.01865	2.4
55.05514	9.5
56.05851	1.9
57.03432	3.1
57.07069	3.8
62.06090	94.2
67.05508	28.5
68.05835	4.8
69.07067	10.9
70.07411	1.9
70.94327	3.8
71.04987	2.7
71.08629	23.4
72.08163	3.3
79.05495	17.6
81.07057	29.5
82.07399	4.2
83.04961	3.5
83.08610	3.2
85.06548	2.5
91.05481	8.1
93.07043	23.5
94.07385	3.8
95.04968	2.5
95.08599	21.2
96.08933	4.9
97.06511	3.8
97.10146	3.7
98.06047	3.1
99.04466	1.9
99.08091	17.0
100.11225	1.8
105.07008	5.5
105.12283	2.1
107.08606	11.1
108.08931	2.1
109.10186	6.4
116.98679	2.4
117.07035	2.5
119.08573	5.1
121.10099	9.3
123.11646	2.4
125.09628	2.0
133.10136	4.5
135.11688	7.8
145.10110	5.2
149.13210	2.8
151.11185	7.0
161.13310	7.0
163.11157	3.7
179.14311	13.1
217.19469	2.5
220.73126	1.9
222.18491	19.4
233.00116	2.2
240.19591	27.2
259.20465	2.6
269.01788	2.1
277.21729	4.4
297.28210	2.4
317.90643	2.2
320.25833	100.0
321.23941	3.4
338.23477	4.2
338.26950	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	338.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.5
55.01866	2.2
55.05514	12.0
56.05041	11.8
57.03426	1.1
58.93866	1.2
59.04996	10.1
63.54967	1.4
63.73444	1.1
65.03947	2.2
67.05505	33.3
69.03426	18.1
69.07069	73.3
69.97908	5.3
70.06594	2.9
70.07404	1.1
71.04986	1.9
72.08164	2.5
74.06081	13.5
79.05493	13.7
81.07044	10.3
83.04984	16.9
83.08623	4.7
84.04459	2.1
85.06540	3.0
91.05476	21.6
93.07045	23.8
95.04968	13.2
95.08605	100.0
95.57278	1.2
97.06515	9.8
98.20874	1.7
102.05537	27.1
103.05482	2.2
105.07030	54.0
106.07373	1.7
107.04967	3.7
107.08595	24.8
109.06511	8.9
109.10159	13.4
111.08074	1.7
115.05438	1.7
117.07008	3.5
119.08591	18.3
120.06580	6.5
120.08081	1.2
121.06499	15.7
121.10145	13.5
123.08066	28.6
128.06184	1.6
129.07001	5.6
130.07761	1.4
131.08572	27.4
133.10129	87.7
134.10475	1.9
135.08044	15.2
135.11688	4.7
137.09666	6.3
137.12450	1.3
143.08539	11.2
144.09312	2.5
145.06447	2.3
145.10112	15.6
147.08003	1.8
147.11707	2.5
149.05952	8.4
149.09575	8.2
149.13260	3.2
157.10132	1.6
158.10890	7.0
159.08072	5.4
159.11688	3.6
161.09641	10.0
163.14822	4.2
171.08012	2.8
172.08839	3.5
173.09631	3.4
173.13274	32.1
174.13669	1.6
175.11169	2.0
175.14908	1.6
177.09076	2.0
183.11691	1.9
186.10390	2.9
191.14307	11.4
201.12737	16.9
211.74185	1.2
219.13736	8.1
237.14818	9.5
252.19473	1.5
283.14474	1.3
338.19608	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	338.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.6
53.03943	0.7
55.02994	4.5
55.05498	3.0
57.07070	31.5
58.07399	0.6
59.04981	1.3
62.63544	0.5
67.05502	3.4
68.05827	0.5
69.04548	1.1
69.07060	100.0
69.30145	5.5
70.07406	2.2
70.07840	5.1
73.06555	4.2
79.05486	1.8
81.06240	0.5
81.07058	1.9
82.04053	8.3
83.04849	3.3
83.08639	0.5
84.05614	0.7
85.06567	0.8
87.08080	1.0
91.05498	1.2
95.04977	1.0
95.08588	0.9
96.05609	2.1
96.90236	0.4
97.06448	2.7
99.00001	4.1
99.08099	1.6
100.05092	36.0
100.08836	0.5
101.09645	35.6
108.05635	0.5
111.04411	1.0
111.08075	1.4
112.08856	0.6
113.01559	2.5
114.06638	8.4
115.07552	21.1
116.07841	0.6
118.18806	0.4
126.06553	0.5
126.99442	9.0
127.07485	0.9
129.01025	13.9
129.09091	4.4
138.06676	0.7
139.00546	1.4
141.01004	16.3
141.02083	1.0
142.01353	0.7
143.02560	0.6
145.06491	0.9
145.08467	0.6
147.10124	2.5
150.10226	3.1
151.10725	0.5
155.02579	7.0
160.08812	2.0
161.09621	0.8
169.04147	1.2
171.02135	0.8
174.06613	0.8
178.09760	1.5
185.03592	3.2
186.06639	0.9
188.08130	1.0
190.09978	0.6
192.03384	0.6
195.05740	3.7
196.17050	0.6
197.07266	59.6
198.07591	2.9
207.05669	2.5
210.04248	6.8
222.04303	1.2
224.05811	14.6
225.06754	3.3
238.03781	2.7
250.03755	0.9
255.07788	1.6
278.10489	2.6
302.15082	0.6
306.09860	0.6
325.60538	0.5
338.09070	1.1
338.12595	17.3
338.27414	2.0
339.12857	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.05516	42.1
57.03438	30.6
57.07064	5.7
63.34249	1.2
65.03928	4.0
67.05508	88.1
69.07072	48.7
69.07455	1.8
69.46344	11.1
71.04974	1.9
71.08612	2.6
79.05495	23.8
81.07061	89.6
83.05004	1.6
83.08150	1.8
83.08623	30.2
85.06535	2.2
91.05486	15.8
91.45615	1.3
93.07049	22.1
95.04963	2.6
95.08613	67.9
96.08961	1.3
97.06519	7.3
97.10172	13.6
105.07045	11.3
107.08595	11.8
109.06480	1.6
109.10159	27.0
111.08072	3.6
111.11700	4.0
116.22149	1.5
119.08595	9.0
121.10149	8.3
123.11703	13.7
125.09634	2.0
133.10120	9.0
135.11717	6.7
137.13226	6.1
147.11691	5.3
149.13310	4.2
151.14832	2.3
153.12811	1.9
161.13251	5.4
163.14838	3.0
175.14833	4.0
189.16327	1.5
244.40437	1.4
245.22655	4.0
255.16319	1.3
263.23526	6.3
283.93280	1.3
337.27374	100.0
338.27515	6.1
350.58643	1.3
359.08478	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.5
56.96559	0.9
57.03437	0.4
57.07077	0.9
61.02916	0.5
67.05502	1.8
67.78181	0.3
69.03434	0.6
69.07074	1.7
70.04075	100.0
71.04369	0.4
72.08152	0.4
73.02924	0.5
79.05467	0.5
81.03430	0.6
81.07059	1.2
82.04077	0.4
83.04856	1.0
84.08156	0.5
85.02899	0.4
85.06532	0.8
91.03972	0.5
91.05495	0.8
93.07032	0.6
95.04963	0.5
95.06091	0.5
95.08628	0.5
96.05649	0.4
97.02895	0.5
99.00005	0.8
105.07056	0.6
107.04979	1.1
109.10155	0.9
110.68712	0.3
126.00231	0.3
135.64276	0.3
136.07654	0.3
136.08665	0.7
146.97452	0.4
147.11658	0.3
151.03098	0.8
154.09805	1.7
154.98964	7.2
155.00174	0.5
158.97682	0.7
182.09314	0.5
182.98447	2.3
197.07254	0.5
209.03708	0.4
217.05876	0.5
229.07509	0.4
238.18102	0.7
245.04773	0.4
247.08609	0.6
248.05807	2.0
256.84457	0.3
263.70505	0.3
285.10110	0.7
320.11722	1.1
338.12601	5.4
338.27124	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	37.0
57.03423	22.3
57.07068	12.5
58.00933	5.6
59.62949	5.5
67.05509	100.0
69.07066	46.4
69.65555	38.1
73.52097	5.2
77.45297	5.2
79.05479	21.5
81.07057	89.5
81.54208	6.3
83.08607	22.3
88.45653	5.9
90.02023	5.3
91.05487	14.8
93.07037	20.8
95.08612	86.2
97.06529	6.9
97.10184	11.1
105.07044	14.0
107.08590	11.7
109.10152	31.2
119.08584	9.7
121.10134	17.7
123.11676	11.0
133.10159	8.3
154.73413	7.0
155.46518	7.5
230.36923	6.9
337.21674	13.8
337.27408	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
54.81441	0.5
55.01877	1.8
55.05514	47.7
57.03440	30.0
57.07080	6.6
59.05004	0.6
65.03943	3.5
67.05506	100.0
68.05826	1.1
69.03455	0.6
69.07070	58.3
70.04565	1.0
70.04974	2.3
70.07403	0.8
70.90163	0.5
71.04998	2.8
71.08630	2.3
79.05495	27.2
81.07058	98.2
82.07397	1.4
83.04984	2.6
83.08622	26.5
84.08971	0.8
85.06546	3.4
85.10174	0.8
91.05483	17.1
92.05814	0.6
93.07046	26.3
95.04979	2.3
95.08609	73.7
96.08932	1.3
96.17725	0.5
97.06522	5.6
97.10175	13.2
99.08109	2.3
101.05994	0.6
103.83415	0.5
105.04546	0.9
105.07037	11.3
107.08591	12.5
109.06541	1.5
109.10159	26.3
110.10474	0.9
111.08099	2.9
111.11716	3.0
113.09651	0.7
115.58092	0.5
119.08594	8.6
121.10152	11.1
123.08066	1.1
123.11713	11.8
125.09675	1.8
127.11201	0.6
130.94467	0.6
131.08572	0.7
133.10132	10.5
135.11703	6.2
137.09624	1.6
137.13243	3.7
138.52867	0.5
139.11197	0.8
147.11707	5.3
149.13258	3.6
151.11217	1.6
151.14839	1.4
153.12701	1.0
161.13275	4.8
163.14815	3.8
165.12785	0.9
165.16438	0.8
167.14276	0.6
175.14783	3.5
177.16425	1.1
177.31503	0.6
189.16368	1.4
203.18108	0.8
245.22737	1.8
263.23773	4.1
313.85464	0.5
337.27368	83.5
338.27670	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	337.2733
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
52.78662	0.4
53.03942	3.0
55.01874	1.4
55.05510	48.0
56.40609	0.5
57.03436	31.4
57.07078	7.3
59.04986	0.8
59.96536	0.5
65.03946	3.3
67.05502	100.0
68.05823	1.0
69.07066	53.7
70.07410	0.6
70.10081	2.3
71.04987	2.8
71.08630	2.1
72.49050	0.5
79.05492	26.6
79.37870	0.5
79.67685	0.5
81.07053	87.3
82.07396	1.2
83.04969	2.9
83.08614	25.9
85.06550	2.1
85.10184	1.3
91.05479	17.5
93.07038	23.9
95.04972	2.4
95.08602	65.2
95.21840	0.6
95.95040	0.5
96.08937	1.0
97.06521	4.6
97.10170	11.7
99.08088	1.2
105.07028	11.2
107.08587	11.5
109.06542	1.3
109.10150	23.0
111.08087	2.4
111.11691	2.5
114.98528	0.7
119.08570	9.1
121.10145	11.2
123.08084	1.0
123.11694	10.6
125.09630	1.5
127.11221	0.6
131.08516	0.8
133.10126	8.4
135.11699	5.3
137.09624	1.8
137.13274	4.0
139.11206	0.8
147.11678	5.1
149.13252	2.7
151.11166	1.0
151.14813	1.9
153.12759	1.4
161.13280	3.7
163.14836	2.5
165.12747	0.7
165.16408	0.5
169.91966	0.5
175.14825	4.0
177.16469	0.7
179.14194	0.6
189.16362	0.9
245.22722	1.9
263.23682	2.6
337.27350	78.7
338.27682	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2736
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03936	3.5
55.01876	2.2
55.05511	46.8
55.50947	1.4
57.03439	29.8
57.07077	10.5
65.03926	3.6
66.90246	1.1
67.05506	97.2
69.07071	52.1
69.07452	1.9
70.77935	3.6
71.04981	2.8
71.08619	3.6
71.53568	1.3
79.05494	26.2
81.07058	97.6
83.04981	3.6
83.08619	30.0
85.06521	2.3
85.10165	1.3
91.05482	15.8
93.07048	24.4
95.04915	1.5
95.08607	76.8
96.08937	1.8
97.06528	4.9
97.10162	14.7
99.08086	2.7
105.07034	11.0
107.08595	13.1
108.63681	1.2
109.10159	32.0
110.07649	1.3
110.10503	1.2
111.08113	2.0
111.11716	3.8
119.08574	9.1
121.10144	11.7
123.08054	2.0
123.11706	12.1
125.09652	1.7
125.27560	1.2
133.10136	11.7
135.11696	5.1
137.13257	4.1
146.36145	1.2
147.11703	7.0
149.13268	3.6
151.14781	2.0
161.13258	5.5
163.14825	3.9
165.16469	1.9
168.44231	1.4
174.83383	1.3
175.14815	3.4
189.16365	1.5
212.48991	1.4
245.22662	2.5
263.23697	5.3
337.27374	100.0
338.27655	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	337.2737
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03931	3.4
55.01875	2.2
55.05511	51.1
57.03436	33.4
57.07076	7.9
65.03932	4.0
67.05504	99.2
69.07069	52.1
69.07455	1.5
69.39299	12.1
71.04990	1.4
71.08634	2.5
73.06518	1.3
79.05063	2.2
79.05491	27.5
81.07056	100.0
83.04964	2.0
83.08152	1.9
83.08617	31.0
85.06519	1.9
91.05475	16.4
93.07043	26.4
95.04981	1.6
95.08604	72.1
95.87837	1.2
96.08939	1.7
97.06530	4.4
97.10176	12.6
99.08105	2.3
99.32626	1.5
105.07027	10.1
107.08596	15.0
109.10154	32.6
111.08091	3.4
111.11784	1.4
119.08586	8.1
121.10135	13.3
121.29285	1.2
123.11697	12.7
125.09602	1.9
133.10114	8.5
135.11688	5.3
137.09627	2.5
137.13188	3.4
139.11160	1.7
147.11673	6.2
149.13245	3.1
151.14832	2.6
161.13243	4.3
163.14847	4.0
165.16365	1.9
175.14793	2.6
189.16447	2.0
203.58580	1.2
245.22707	4.5
263.23764	6.6
309.91211	1.3
337.27365	98.4
338.27539	3.4
352.00598	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.05510	44.7
55.21374	1.2
57.03152	1.8
57.03435	31.1
57.07072	6.7
65.03930	3.6
67.05505	96.2
69.07066	51.2
69.42816	12.1
71.04967	1.7
71.08634	2.9
77.77124	1.2
78.36597	1.2
79.05070	1.8
79.05493	22.4
80.60995	1.3
81.07058	92.2
82.07365	2.8
83.05003	2.1
83.08617	29.2
85.06530	2.2
91.05484	15.7
93.07047	22.6
95.04971	2.0
95.08607	71.5
96.08955	1.3
97.06521	5.4
97.10162	15.1
99.08111	1.6
105.07032	11.2
107.08608	12.1
109.10153	27.7
111.08118	3.3
111.11687	3.0
119.08583	8.7
121.10132	10.8
122.10513	1.3
123.11716	11.3
125.09620	1.6
133.10143	7.2
135.11679	8.1
137.13226	4.7
147.11668	6.1
149.13252	4.2
151.14798	2.0
158.75461	1.1
161.13290	4.6
163.14845	4.3
173.87213	1.6
175.14821	3.4
189.16432	1.5
211.28502	1.3
245.22614	3.4
263.23648	6.7
325.86462	1.3
337.27359	100.0
338.27689	5.5
340.94626	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
54.81441	0.5
55.01877	1.8
55.05514	47.7
57.03440	30.0
57.07080	6.6
59.05004	0.6
65.03943	3.5
67.05506	100.0
68.05826	1.1
69.03455	0.6
69.07070	58.3
70.04565	1.0
70.04974	2.3
70.07403	0.8
70.90163	0.5
71.04998	2.8
71.08630	2.3
79.05495	27.2
81.07058	98.2
82.07397	1.4
83.04984	2.6
83.08622	26.5
84.08971	0.8
85.06546	3.4
85.10174	0.8
91.05483	17.1
92.05814	0.6
93.07046	26.3
95.04979	2.3
95.08609	73.7
96.08932	1.3
96.17725	0.5
97.06522	5.6
97.10175	13.2
99.08109	2.3
101.05994	0.6
103.83415	0.5
105.04546	0.9
105.07037	11.3
107.08591	12.5
109.06541	1.5
109.10159	26.3
110.10474	0.9
111.08099	2.9
111.11716	3.0
113.09651	0.7
115.58092	0.5
119.08594	8.6
121.10152	11.1
123.08066	1.1
123.11713	11.8
125.09675	1.8
127.11201	0.6
130.94467	0.6
131.08572	0.7
133.10132	10.5
135.11703	6.2
137.09624	1.6
137.13243	3.7
138.52867	0.5
139.11197	0.8
147.11707	5.3
149.13258	3.6
151.11217	1.6
151.14839	1.4
153.12701	1.0
161.13275	4.8
163.14815	3.8
165.12785	0.9
165.16438	0.8
167.14276	0.6
175.14783	3.5
177.16425	1.1
177.31503	0.6
189.16368	1.4
203.18108	0.8
245.22737	1.8
263.23773	4.1
313.85464	0.5
337.27368	83.5
338.27670	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	337.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	20.6
69.07050	25.3
69.35049	100.0
71.04972	17.4
78.68488	10.6
79.05498	23.8
79.07979	12.4
81.07057	48.2
81.65631	10.8
83.08598	13.1
91.05463	25.3
93.07037	36.7
95.04955	16.6
95.08602	43.0
100.06483	10.1
105.07005	55.2
107.08597	41.4
109.10179	27.7
119.08567	43.4
121.10139	40.7
123.11700	41.5
131.08566	18.8
133.10103	27.3
135.08141	19.1
137.09647	11.4
143.08549	20.4
145.10117	40.2
155.74205	10.6
157.10133	34.3
159.11629	18.5
161.09564	15.9
169.10101	14.3
171.11752	15.5
175.14723	16.8
183.11696	20.3
197.13274	35.3
209.13196	13.0
215.14343	14.3
337.25394	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	337.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.0
55.05511	43.7
57.03435	28.6
57.07066	8.5
65.03921	3.0
67.05502	100.0
67.70472	1.3
68.26277	1.1
69.07067	54.1
70.01534	6.5
71.04987	3.1
71.08612	2.4
79.05492	24.6
81.07053	94.3
83.04970	3.0
83.08139	2.2
83.08616	25.9
85.06518	2.6
89.31986	1.3
91.05486	14.7
93.07040	23.7
95.04959	2.9
95.08607	69.0
97.06528	4.6
97.10168	15.5
98.21369	1.8
99.08070	2.4
105.07034	9.3
107.08597	12.1
109.10158	31.0
111.08112	3.1
111.11724	3.1
113.09609	1.7
117.07021	1.6
119.08574	7.9
121.10151	10.6
123.11723	12.0
125.09653	1.9
133.10118	8.7
135.11743	6.1
137.09642	1.7
137.13234	4.5
139.11134	1.9
147.11693	8.6
149.00583	1.2
149.13242	3.5
151.14818	3.3
161.13248	4.8
163.14813	3.8
175.14798	3.1
181.53250	1.3
189.16426	2.4
215.46623	1.3
218.50342	1.6
245.22620	3.5
263.23709	5.0
334.63403	1.5
337.27350	97.5
338.27704	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	337.2369
Annotation	HXB3
Peak:m/z	Relative Intensity
53.03937	0.9
54.03444	2.3
55.05510	11.8
57.03432	5.0
57.07073	17.4
60.95829	3.9
65.03930	1.6
67.05179	1.6
67.05500	21.4
68.05827	2.0
69.07059	18.5
70.07395	0.9
71.08600	2.4
71.94096	0.8
74.99468	0.8
79.05495	7.7
80.05811	1.0
81.06579	1.0
81.07053	20.7
81.71149	0.9
82.07358	2.8
83.04982	4.9
83.08607	5.5
84.24877	0.8
85.06491	1.5
90.24256	0.7
91.05470	5.7
92.05762	0.9
93.07043	9.3
94.07349	2.3
95.04938	1.8
95.06038	1.0
95.08603	16.8
96.05609	42.7
96.08927	1.6
97.06497	3.0
97.10162	2.1
98.99976	0.8
99.08063	2.4
103.39374	0.8
105.07022	6.1
106.07370	0.9
107.08582	7.7
108.08917	1.3
109.06504	2.7
109.10166	6.7
110.10463	1.0
111.04414	4.3
111.08050	1.9
114.06647	12.5
119.08573	5.1
121.10098	3.8
123.08073	8.1
123.11700	2.5
125.05965	2.6
125.09636	1.4
129.01010	2.0
131.08501	1.2
132.97842	1.4
133.10136	4.0
135.08040	1.7
135.11650	2.9
137.05943	1.9
137.13280	1.4
139.11185	0.9
141.00983	3.8
141.05429	1.0
143.08539	1.2
144.97765	0.9
145.10069	2.4
147.11656	2.2
149.13228	1.3
150.98915	3.1
151.07547	9.2
152.08304	4.2
153.12598	1.0
155.02513	1.7
157.10013	1.1
161.13225	1.1
163.11188	1.6
165.09100	14.7
165.12723	1.3
169.00415	1.3
169.04169	1.5
175.11082	1.1
177.09091	1.4
179.10599	2.5
179.14255	1.0
181.12135	1.6
183.11642	0.9
191.10539	1.4
193.12154	2.0
195.10136	2.7
195.13783	0.9
197.07286	4.0
201.19165	0.8
208.14618	1.8
210.12434	2.2
219.13762	4.1
220.08223	0.9
221.15355	4.0
224.05853	5.9
255.69742	0.9
277.21539	2.5
281.05731	4.2
291.23108	7.5
319.15482	3.6
319.22620	53.6
320.23050	1.6
337.16699	10.3
337.23608	100.0
337.27078	12.3
338.12692	11.6
338.23969	2.9
355.17453	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76831	0.4
51.67457	0.6
53.03961	0.4
55.01872	0.6
55.05487	1.2
56.05039	2.8
56.96567	2.9
57.03414	1.2
57.07075	3.0
58.06606	0.6
67.05492	1.2
68.05043	0.4
68.28204	0.4
69.07063	1.5
70.01539	1.4
70.01954	1.2
70.06596	4.7
72.08159	3.0
74.06084	2.4
79.05471	1.0
81.03410	0.6
81.07060	1.1
83.08590	0.6
84.04508	2.7
84.08145	4.2
85.02889	1.4
85.10174	7.2
86.09702	4.8
87.10024	1.0
91.05457	2.3
93.07026	1.3
94.06496	0.5
95.04989	1.1
95.08605	3.1
96.08064	0.6
98.06020	0.5
102.05529	1.8
103.05450	1.3
104.10737	0.6
105.07022	2.5
107.04954	8.6
108.05255	0.9
109.10098	0.6
110.07175	1.0
112.11255	2.5
113.09647	8.6
115.05470	0.4
117.06969	0.5
117.47276	0.5
119.08608	0.6
120.08084	1.3
121.06512	9.7
124.03927	1.0
124.11197	0.6
125.00017	0.6
129.06915	0.5
129.10226	1.0
130.06480	0.8
131.04971	1.1
131.08551	1.1
133.06480	4.2
135.04408	3.3
136.04749	1.0
138.12776	24.2
145.06493	0.6
146.06001	0.6
147.11534	0.5
159.08064	2.3
168.13843	37.3
169.14214	0.7
178.08664	1.1
184.07362	1.3
206.02629	0.6
211.02818	0.8
214.14377	100.0
215.14742	2.0
259.08557	0.8
270.23563	0.4
301.09818	0.4
305.56732	0.5
337.17581	2.2
337.24982	0.6
341.13898	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08532	0.4
56.05032	0.6
58.42265	0.6
58.84222	0.5
65.03939	3.1
68.00470	0.5
69.59866	0.4
70.06554	0.8
70.16905	0.8
70.17302	1.2
71.08274	0.6
71.08622	6.7
83.06092	1.4
83.25874	0.5
84.04495	18.5
85.02892	0.9
88.11260	41.4
98.06043	10.2
98.21593	0.6
102.05531	0.9
111.04420	3.9
111.63486	0.5
118.31384	0.4
121.02856	100.0
130.04980	6.5
153.13869	6.4
154.12251	17.6
171.14909	23.5
172.13400	0.5
199.12827	0.4
199.14395	21.7
200.12805	22.6
217.15453	37.5
235.20711	0.5
241.50842	0.5
259.45657	0.5
289.05145	0.5
291.16965	0.9
319.16571	3.6
337.17505	5.6
357.18961	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.8
55.01857	1.3
55.05497	1.6
56.96545	1.9
57.03440	1.3
67.05495	4.8
69.07066	2.4
70.06606	1.6
70.54603	3.4
70.54965	1.2
79.05476	7.4
80.14066	1.0
81.07059	4.8
84.08136	1.3
91.05484	8.4
91.20391	1.0
93.07048	4.7
95.04980	3.5
95.08597	3.1
103.05469	5.2
105.07025	7.8
107.04951	100.0
107.08614	2.9
108.05271	1.1
109.10130	1.3
110.84488	1.0
115.05473	3.1
117.06994	3.9
119.04923	6.9
119.08576	2.8
120.08133	1.6
121.02862	3.7
121.06526	5.0
121.10120	2.3
128.06238	3.2
129.06984	11.8
131.04924	37.9
131.08549	3.8
132.05692	2.6
133.06473	3.2
133.10156	3.5
135.11691	1.3
140.47513	1.0
141.07001	8.5
142.07774	3.0
143.08600	5.6
144.05634	1.0
145.06493	4.5
145.10124	3.1
147.11649	2.6
149.13329	1.3
152.06206	3.3
153.06992	2.6
154.12282	1.4
155.08536	10.2
157.06487	8.3
157.10146	1.6
158.07260	2.4
159.08028	3.1
159.11746	1.6
161.13232	1.9
165.07010	2.4
167.08513	5.2
168.05710	1.5
169.06499	8.2
169.10190	1.1
170.07309	3.3
171.08038	12.8
172.08690	1.1
173.09619	5.2
178.07826	1.4
179.08583	1.9
181.06450	3.5
182.07306	2.2
183.08054	23.5
185.09561	7.1
195.07962	9.1
197.09618	3.2
201.09084	9.9
202.07845	1.7
203.08598	2.8
207.08113	4.0
208.08810	1.2
213.09047	1.5
215.08580	3.8
215.10568	1.9
216.09410	1.8
219.08058	1.7
220.08838	2.8
224.08337	1.3
227.17894	1.3
228.09210	1.8
229.10168	1.9
231.08084	7.1
231.10005	1.5
232.08748	5.6
233.09634	3.7
237.09125	2.0
239.08669	1.7
241.10124	2.4
244.08853	4.5
245.09593	4.1
245.19118	3.2
246.10394	4.6
247.07526	1.3
247.11179	6.7
248.08392	2.3
249.08931	1.2
253.10095	1.3
257.09518	3.2
258.10422	2.2
259.11246	5.1
260.08337	2.5
261.09192	5.7
261.12704	7.8
262.09903	1.8
263.10666	2.2
271.11261	2.9
273.09128	3.7
273.12732	2.1
274.09900	3.6
275.10776	5.9
276.11377	1.9
277.12207	11.7
279.10565	1.0
279.13919	4.1
283.11124	2.0
286.10028	1.2
287.10596	1.6
288.11404	2.9
289.12222	18.1
291.10614	1.1
291.13800	2.6
291.69641	1.2
301.12152	13.9
307.13235	8.4
319.13290	3.9
337.14359	44.9
338.14926	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.9
55.01865	4.1
55.05504	8.0
56.05033	8.7
58.99574	5.6
61.01138	3.1
67.05489	10.3
68.05024	2.3
69.03439	1.7
69.07060	8.6
70.02932	2.9
70.06599	25.9
70.99580	3.3
71.06918	2.0
71.08640	2.1
71.33138	2.0
71.33511	1.6
72.08154	14.2
73.01119	2.3
74.00663	42.3
76.02239	2.5
76.04010	16.7
79.05488	3.4
80.05038	3.2
81.03409	2.0
81.07060	4.6
84.04508	21.2
84.08152	14.3
85.01117	11.3
85.04026	32.3
86.00658	4.7
86.09698	14.3
86.99043	3.2
87.02708	2.3
88.02209	8.7
91.05474	6.9
92.01707	13.9
93.07047	14.3
95.04984	2.6
95.08599	39.8
97.01121	2.7
99.02670	2.4
104.10701	2.5
105.07022	3.4
107.04962	9.3
110.07147	3.8
110.09692	2.4
112.03949	5.1
112.08704	2.7
112.11239	14.4
113.03526	9.1
114.00133	3.7
115.08692	2.1
116.01678	28.0
119.07112	2.2
120.08111	5.1
121.06496	2.3
122.09661	2.3
123.08078	9.7
124.11203	2.5
127.05773	22.1
128.01611	2.3
128.10674	3.6
129.07077	1.9
129.10231	6.6
130.05016	26.6
131.02666	2.5
131.04512	21.7
135.05695	3.8
136.07616	2.2
136.11208	5.3
142.30836	1.7
143.02747	2.0
144.01152	5.8
147.05620	2.4
153.07306	4.5
155.05229	2.3
157.06496	3.1
159.07809	3.0
160.00656	14.1
162.02209	18.0
167.08205	2.3
170.09988	25.4
170.11769	10.4
171.08359	3.7
177.03294	79.3
178.01707	4.0
179.04865	3.4
180.08499	1.9
181.08856	3.4
189.03279	2.4
190.09348	3.9
198.09467	23.1
200.03793	2.2
216.10527	3.0
217.08971	3.6
219.04358	13.0
219.68033	1.9
228.10426	3.0
244.61961	2.5
256.09982	15.1
263.18231	2.1
266.63696	1.8
268.08844	1.7
273.12689	31.2
274.10892	3.6
283.11157	6.3
301.12155	100.0
319.13107	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	337.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.2
55.01871	15.9
55.05499	7.9
56.96555	2.6
57.03411	4.5
67.05499	18.2
67.34818	2.3
68.57218	2.1
69.03413	8.5
69.07053	8.4
70.04073	2.5
70.06564	2.1
71.04966	4.5
72.08139	2.2
77.03925	3.0
79.05492	32.7
81.03396	6.7
81.07040	11.0
83.04960	6.3
84.04514	2.7
84.08113	4.4
85.02908	3.1
88.11300	3.1
91.05479	35.7
93.07034	40.4
95.04964	25.9
95.08614	11.3
95.31007	2.1
97.06528	10.8
98.21521	5.5
99.04445	7.4
103.05457	7.4
105.07029	100.0
106.07352	2.9
107.04942	37.7
107.08583	6.7
109.06555	4.5
109.10154	5.5
111.41946	2.6
115.05457	8.1
117.07014	24.0
119.04945	5.2
119.08571	12.2
121.02866	9.5
121.06501	82.4
121.10123	3.7
123.08065	3.0
128.06226	6.2
129.06999	16.8
130.07761	10.8
131.04903	3.2
131.08566	25.9
133.06488	38.4
133.10117	14.3
135.08069	3.5
139.07550	2.6
141.06996	13.5
142.07803	5.2
143.08582	13.3
144.05762	2.6
144.09335	14.4
145.06494	24.7
145.10115	91.9
146.10550	3.4
147.08023	5.6
147.11676	6.9
149.06023	3.9
153.06998	5.1
154.07791	11.4
155.08525	11.3
157.06473	4.2
157.10123	5.2
158.07272	26.6
159.04424	5.3
159.08054	24.7
159.11678	43.3
160.97354	2.8
161.09663	4.8
161.97604	2.5
163.07561	2.7
167.08699	3.5
169.10114	20.0
171.07994	4.4
171.11656	3.1
171.14848	2.4
172.08783	13.0
173.09625	69.7
178.07748	2.8
179.08530	12.7
181.06505	4.0
182.07262	6.5
187.11165	85.0
187.12788	4.7
197.05962	4.4
197.09604	30.1
199.03905	3.9
205.12219	16.5
211.07510	3.6
213.05438	2.9
215.10649	87.6
216.10985	3.2
217.15645	2.8
219.48650	2.7
225.05496	6.9
229.36418	2.6
233.11700	30.1
293.59085	2.9
319.13257	3.1
337.10788	4.1
337.14410	15.7
337.20837	3.7
337.25214	3.0
344.25027	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	337.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	4.1
56.05044	1.0
56.96556	2.4
57.07072	36.8
57.46830	1.1
59.04980	1.6
61.02895	1.2
67.05502	8.2
68.51836	1.0
69.00929	1.0
69.07063	100.0
70.04070	25.4
70.07828	3.2
71.04976	1.8
71.59769	1.4
72.08145	9.9
79.05480	4.6
81.03405	1.9
81.07058	5.7
83.04973	2.5
86.09708	5.6
88.07613	2.6
91.05460	4.3
93.07034	4.9
94.04151	1.2
95.03574	5.1
95.04929	2.5
95.06062	5.1
95.08603	2.9
96.01962	2.3
96.05612	1.6
96.08123	2.8
96.67741	1.0
97.06505	4.7
98.99989	4.1
105.07009	3.3
107.04933	1.4
107.08558	2.7
109.06421	1.1
109.10134	1.4
111.04439	1.7
112.07605	2.3
112.08719	1.3
113.01579	1.5
113.04604	52.2
114.03007	31.6
114.09153	8.3
115.07572	8.5
116.98579	1.3
119.08573	2.1
119.93089	1.1
121.10120	1.4
122.06030	2.6
125.04600	10.6
126.99426	5.2
129.01030	13.7
135.11644	1.9
141.01033	12.8
152.02596	5.1
153.04053	8.0
155.02579	3.1
159.11563	1.4
163.09789	4.9
167.02567	2.1
167.09262	2.9
168.02089	2.4
169.04134	4.2
177.07713	2.2
181.10843	34.0
188.91504	1.0
189.11444	1.7
191.09286	2.8
193.12135	3.5
196.08850	2.5
197.07277	30.8
198.62543	1.2
202.38152	1.0
207.05698	4.2
209.10320	50.4
210.10649	1.4
224.08286	6.1
224.93262	1.0
225.06766	2.7
229.07501	2.6
242.09410	2.0
242.24808	1.4
243.25143	1.6
247.08598	2.9
263.03265	1.6
278.10098	1.1
281.10571	1.5
291.24966	1.4
319.09354	2.1
319.18561	1.1
336.30078	10.7
337.02213	1.6
337.10550	21.4
337.26166	1.4
337.30328	5.4
338.12488	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	337.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
70.34379	9.4
70.65379	2.2
71.93246	2.4
80.51449	2.8
103.02435	6.3
115.02452	2.4
119.01929	21.3
121.03499	2.7
127.02399	2.8
131.01927	8.6
133.03461	25.6
143.01915	3.6
145.03452	16.4
151.04517	18.3
155.01941	8.6
157.03438	6.6
159.33525	2.8
161.02982	7.4
173.02960	10.9
175.04535	20.2
177.02455	4.4
181.03430	3.4
187.04521	7.8
189.06198	4.0
201.02342	2.3
201.06067	7.9
203.03918	2.9
211.04590	7.8
217.02019	14.7
217.05606	11.3
229.01913	5.4
235.03008	10.3
235.06714	3.2
277.07748	11.7
279.08917	2.8
295.08777	25.3
311.89853	2.5
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	337.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99877	1.8
60.05622	1.8
69.04955	2.1
70.06597	11.5
70.39777	3.9
70.99864	1.5
77.00912	2.9
82.99845	2.1
85.70754	1.5
100.23019	1.6
101.00880	15.4
103.02437	14.1
104.90342	1.8
105.30322	1.7
113.00875	10.9
114.09158	1.8
114.10323	2.5
116.58095	1.6
119.01923	63.5
121.03473	11.7
127.02413	14.1
131.01907	70.8
133.03500	3.1
137.02975	10.3
139.02406	2.0
143.01917	5.8
145.03467	89.4
146.03542	4.2
147.01370	5.5
149.02975	15.3
151.04514	1.9
153.72800	1.9
155.01903	30.3
157.03473	47.3
158.03615	3.2
159.05051	2.8
161.02980	7.6
163.04533	16.5
167.01920	4.0
168.05072	2.4
171.01343	14.9
173.02962	75.2
173.14023	2.4
175.04558	16.2
177.02428	5.4
183.01421	3.4
185.02983	14.4
189.02464	22.5
191.04080	3.9
193.02017	2.3
199.00958	6.7
199.08478	2.0
201.02374	10.6
203.04016	5.2
211.00848	2.6
217.01945	100.0
217.05367	3.0
218.02115	2.8
219.03618	2.6
221.04974	3.7
229.01921	50.0
230.02182	3.3
235.02979	54.6
236.03194	2.8
239.06091	2.6
247.03044	20.8
247.06628	2.8
253.04121	5.9
258.04510	2.5
265.04077	6.3
275.06039	2.5
277.04111	2.1
319.05185	2.3
324.53964	1.8
337.06100	7.6
337.17175	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	337.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38445	1.9
59.01635	1.4
60.93835	1.6
70.06593	9.4
71.37373	3.3
94.99860	1.7
101.00873	18.4
103.02441	11.8
113.00855	8.3
119.01920	53.8
120.02026	2.5
121.03498	5.8
127.02396	12.0
129.03964	2.4
131.01901	53.7
131.02841	3.6
133.03514	2.7
137.02919	9.7
143.01912	5.6
145.03465	63.5
146.03571	2.4
147.01460	2.7
149.02954	10.5
155.01895	18.1
155.22781	1.8
157.03462	32.4
159.01508	2.3
161.02951	10.4
163.04501	11.0
163.09232	1.6
170.29430	1.7
171.01408	9.7
173.02963	54.3
174.03102	3.4
175.04523	10.8
175.53094	1.6
177.02420	13.5
183.01379	3.8
185.02997	8.7
189.02451	19.0
191.04033	2.7
193.00267	2.5
196.04489	2.7
199.00960	4.2
201.02466	10.5
203.04027	5.8
206.84756	1.7
207.03412	3.8
211.00835	2.5
217.01941	100.0
217.05489	4.5
217.31606	2.0
218.02150	4.9
219.03603	3.0
221.05154	6.1
229.01930	49.6
230.02193	2.6
235.02991	55.2
236.03143	3.9
239.06154	4.1
247.02991	19.2
247.06738	3.5
249.04503	3.5
253.04063	5.9
258.04639	3.4
265.03903	3.5
275.06332	1.8
279.05670	5.8
337.06161	5.0
337.17300	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	336.1917
Annotation	Gly Leu Phe
Peak:m/z	Relative Intensity
55.05513	0.9
56.05017	1.0
56.96554	0.9
57.03432	1.1
67.05497	1.6
69.03397	1.1
69.80537	4.8
70.06583	6.4
72.08140	3.5
79.05484	1.9
81.07035	0.9
83.82288	0.8
84.04500	1.4
84.08128	3.8
86.09705	100.0
87.10043	1.2
91.05447	1.3
93.07046	1.5
98.98428	1.0
99.08068	0.9
103.05470	4.1
104.10698	1.2
105.06997	0.8
107.04935	3.9
108.08108	2.1
110.07162	1.1
113.10797	0.9
120.08105	89.8
121.08429	0.9
124.99978	0.8
129.10239	1.6
130.04977	0.9
131.04913	1.2
132.08121	1.0
132.10172	2.1
143.11797	78.1
149.05974	0.9
166.08643	27.7
171.11285	13.8
177.10260	13.9
184.07283	1.9
189.05620	0.9
205.09692	2.5
219.18210	0.7
236.16438	2.1
262.18042	2.8
301.31528	0.9
336.26273	1.9
347.26166	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.253
Annotation	Neovasipyridone C
Peak:m/z	Relative Intensity
53.03942	1.8
55.05505	13.6
55.10179	1.0
55.61543	1.1
56.05032	7.1
57.03423	1.9
57.07064	3.0
57.28952	1.1
58.06593	2.0
60.04251	1.5
60.04523	21.0
65.03930	2.4
67.05501	40.4
68.05812	1.3
69.03422	1.3
69.07064	14.0
70.06564	2.3
71.04964	2.5
73.55198	1.0
79.05052	2.1
79.05489	32.5
80.05026	1.1
80.05808	2.2
81.07056	36.3
82.06570	4.2
82.07368	1.4
83.04968	1.5
83.08601	5.1
84.08136	1.9
85.06537	1.7
89.05984	1.3
91.05473	19.0
93.07039	34.6
94.06558	7.4
94.07381	2.0
95.04945	4.5
95.07345	2.7
95.08037	2.3
95.08598	27.4
96.08140	4.0
96.08935	2.9
97.06551	1.5
97.10146	2.9
98.09682	11.1
98.20692	2.5
105.07036	14.4
107.08587	17.3
108.08110	2.1
108.08882	1.1
109.06524	2.2
109.10151	12.1
109.90091	1.2
110.09682	2.0
110.10424	2.2
117.06980	2.3
119.08569	7.0
121.10140	16.3
122.09631	1.4
122.10470	1.7
123.11722	2.5
125.09604	1.2
131.08549	4.5
133.10117	9.4
135.11687	10.1
137.09612	2.4
138.12752	4.0
140.10709	4.1
145.10107	2.5
147.11655	6.0
149.09625	2.6
149.13304	6.6
150.12724	1.7
154.12262	11.2
159.11708	2.0
161.13240	3.6
164.14352	19.0
166.12257	1.4
168.13879	2.0
172.13333	7.2
172.92540	1.3
175.14812	2.5
184.13376	2.5
188.58330	1.1
194.15396	1.3
212.16463	1.5
229.90045	1.4
238.18016	1.2
241.19510	2.7
259.20554	4.0
276.23193	5.0
277.21512	7.6
294.24295	15.2
318.24142	5.4
336.25360	100.0
337.25739	3.7
340.15103	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.05505	13.8
56.13444	1.6
56.97953	1.7
57.03432	6.1
57.07072	39.8
63.71243	1.6
65.03950	1.6
67.05505	30.6
68.05843	8.5
69.07065	41.6
69.61790	13.0
70.04070	6.5
76.62086	1.6
79.05497	17.9
80.05811	7.1
81.07054	27.2
82.07379	10.1
83.08611	9.4
87.08096	10.5
91.05463	15.6
92.05814	5.3
93.07040	19.8
94.07358	4.5
95.04945	6.3
95.08608	21.1
96.08950	7.0
97.06501	1.8
97.10155	6.9
99.08103	2.6
105.07027	24.6
106.07353	4.7
107.04893	1.8
107.08604	12.3
108.08922	5.9
109.10152	10.0
110.10493	4.6
111.11692	3.8
113.01566	6.2
114.46507	1.9
115.05399	2.7
117.07013	4.1
119.08594	8.1
120.08892	4.5
121.10132	20.6
122.10461	5.0
123.08051	2.6
123.11743	2.8
125.01554	15.7
129.01015	4.5
129.07004	2.1
131.08543	5.9
132.08936	5.1
133.06483	3.0
133.10106	8.7
134.07251	2.5
134.10463	6.6
135.11694	5.8
136.12007	4.0
139.11159	2.0
141.01015	66.1
141.04683	9.9
142.07822	2.1
143.08536	2.5
144.05753	2.5
144.08881	2.9
145.10071	5.7
146.07268	5.7
146.10466	5.3
147.11676	2.9
148.12057	2.6
149.13242	3.1
151.03079	2.3
153.04703	12.2
155.02580	34.9
156.02829	1.8
157.10138	1.8
158.10580	2.5
159.11673	2.3
165.01013	4.5
167.02475	2.2
169.04141	18.8
170.10536	2.4
171.05679	7.9
172.08801	2.4
173.13228	5.7
174.13541	5.8
179.02580	100.0
181.04135	23.3
183.05760	5.3
184.12457	6.0
186.13464	1.8
188.15244	2.1
193.04137	18.4
197.07295	25.5
207.11519	1.8
219.09412	14.6
239.11969	36.9
240.12440	1.9
244.21446	2.5
249.10490	11.0
252.05363	6.0
262.22385	2.3
267.11429	10.2
278.19778	3.6
290.36374	2.1
304.08368	2.7
313.20374	2.7
318.25061	1.9
336.11136	2.2
336.14774	40.8
336.26224	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.9
52.98391	0.7
52.99407	0.7
55.05496	3.0
57.07071	35.9
63.13205	0.7
67.05510	3.9
67.89606	0.7
69.07063	100.0
70.04054	1.7
70.07434	0.9
70.07836	6.1
75.02373	1.1
79.05476	1.4
81.07052	2.9
81.28351	0.9
83.05038	0.7
84.01870	0.8
84.05600	1.6
91.05522	0.8
93.06998	1.0
94.04198	0.9
95.04926	1.0
97.06527	2.2
98.03548	1.7
98.21619	1.5
99.00012	5.2
101.09649	20.7
105.06982	1.0
111.04457	1.1
112.05087	11.1
113.01542	2.5
115.07572	8.9
119.08472	0.8
125.01527	1.0
126.99474	12.4
127.03123	1.4
129.01018	19.4
129.01924	1.8
129.09102	4.6
134.07130	5.4
138.03064	1.0
138.06604	2.8
139.00604	1.8
141.01009	25.3
147.10220	1.6
148.08694	2.6
152.04558	4.9
155.02588	8.2
162.06630	1.5
166.09767	4.3
168.07771	1.1
169.04147	26.2
169.05519	1.8
171.02086	1.5
177.08987	1.5
178.09705	8.7
179.02606	2.5
193.04137	1.7
194.09262	9.8
197.07278	41.5
207.05748	5.1
209.11574	25.6
220.02721	2.0
222.04121	0.9
223.23593	0.9
225.06786	1.2
248.02185	2.3
262.07419	29.8
304.08466	2.3
330.17239	0.9
336.11087	8.9
336.21768	1.1
336.25598	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	336.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	1.1
55.05497	3.8
56.96556	1.2
57.07073	32.8
67.05502	4.4
68.21900	1.0
69.07063	100.0
70.04071	4.6
70.06551	1.2
70.07454	1.3
70.07838	6.3
79.05480	2.2
81.07057	3.8
84.08132	0.8
91.05481	7.9
93.07030	2.6
95.04998	1.7
95.08612	1.9
97.06494	0.9
99.00001	4.0
103.03160	1.3
105.06995	1.4
107.04948	4.0
107.08582	1.0
109.10132	1.1
112.05084	3.2
113.01554	3.0
114.02955	0.9
115.07563	21.5
121.10114	1.1
124.05040	1.2
126.99461	10.2
129.01018	14.2
139.00594	0.8
141.01009	21.0
152.04532	6.1
155.02568	8.2
161.09604	1.2
166.09741	5.4
181.00484	2.3
197.07275	72.3
198.07668	1.9
208.10796	2.7
209.11549	1.4
224.72156	0.9
225.06743	4.3
229.26785	0.9
230.24815	2.3
238.03745	2.5
250.03836	1.0
295.10208	1.5
318.24350	1.1
336.11096	15.6
336.21942	1.2
336.25653	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	336.1075
Annotation	RD 01A7
Peak:m/z	Relative Intensity
53.21011	1.1
55.01836	1.1
55.04243	1.1
55.05497	3.0
56.96559	1.7
65.03924	5.4
67.05499	13.5
69.03417	1.7
70.06577	7.1
70.95220	2.9
72.08143	2.8
72.88904	1.1
79.05499	2.8
80.05004	1.2
81.03399	2.3
81.07050	1.1
83.04968	10.0
84.04519	2.8
84.08127	4.4
85.02901	2.1
86.09689	2.2
88.07621	2.6
91.05435	1.8
93.03365	2.1
94.06017	1.1
94.06546	6.5
95.04942	3.4
97.02886	1.5
106.06552	2.3
107.04956	10.7
108.04467	2.3
108.65124	1.2
109.02879	1.5
109.05256	1.3
110.06028	4.2
110.07146	1.7
111.04429	4.5
119.04919	1.1
119.07423	1.2
120.08102	3.7
121.02861	3.2
122.06025	6.4
123.04398	2.1
124.07587	9.5
128.06224	4.0
129.07018	1.9
129.10214	1.8
130.06529	1.1
134.06004	5.1
135.04396	1.3
136.03929	3.7
136.07549	2.8
138.05502	1.7
139.03889	15.6
143.07315	1.4
143.08543	2.3
144.08060	2.0
145.10118	1.2
146.06033	2.1
146.09685	1.5
148.03941	2.0
150.05501	12.2
152.07072	16.8
153.06940	2.3
154.04982	4.4
154.94885	1.1
155.07248	2.2
155.08508	2.4
156.07962	2.0
157.06410	1.5
157.08783	1.3
158.09602	2.5
159.06750	1.3
160.03944	4.2
160.07544	3.1
160.11198	1.7
162.05501	3.5
163.03894	1.5
164.06960	1.3
166.05002	2.7
167.03537	1.1
168.06561	14.5
170.09654	5.8
171.08044	5.0
172.07570	1.8
173.08308	2.5
173.09654	1.8
174.05534	1.8
174.09146	10.8
174.14882	1.3
176.03433	1.8
176.07082	2.0
178.04951	6.0
180.08064	1.2
183.06743	2.7
184.07544	3.4
185.04462	2.9
185.05980	2.2
186.09120	3.0
188.07104	2.6
188.09195	1.4
188.10684	9.2
188.12152	1.5
190.08717	1.5
194.04433	1.5
196.06023	13.2
198.09177	11.8
199.07536	5.7
200.07076	3.2
200.10704	1.7
201.07576	2.2
201.09206	3.2
202.08641	9.7
210.09268	1.2
210.45326	1.1
212.07047	5.1
213.07524	1.7
214.08604	4.9
215.09425	1.6
216.06560	2.9
216.08295	2.2
216.10181	28.1
216.12100	2.2
226.06645	2.0
226.08627	21.0
227.07014	10.0
227.09058	3.2
228.06549	2.2
228.10191	2.0
230.08150	7.2
230.10074	1.8
232.86511	1.2
240.06548	6.7
240.08678	1.9
241.09300	1.3
242.07944	1.2
242.10120	1.7
243.08768	1.8
243.11037	1.9
244.09666	37.3
244.11966	2.6
245.09984	1.4
246.07523	1.2
248.09061	1.4
254.07985	9.1
255.06325	1.5
255.08632	1.6
257.08267	1.6
258.07626	3.5
260.09216	1.9
262.10699	2.4
272.09088	78.9
273.09460	3.4
287.09726	3.1
288.08313	1.9
290.09671	12.9
290.12622	4.1
300.08597	100.0
301.08868	3.9
318.09354	37.3
336.10352	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	335.2578
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03931	4.5
55.01868	1.7
55.05267	1.5
55.05511	26.4
57.03198	2.1
57.03438	26.3
57.07062	2.7
65.03951	2.1
67.05502	100.0
69.07070	21.0
69.85125	8.3
79.05490	52.6
81.07057	93.7
83.08611	9.3
85.06527	2.1
89.83752	1.2
91.05473	24.2
93.07041	52.9
93.07633	2.6
95.04956	4.9
95.08602	68.9
97.06518	4.1
97.10166	2.6
105.04528	1.6
105.07022	15.0
107.08591	30.1
107.20458	1.3
109.06505	1.4
109.10149	30.6
111.08118	2.3
117.07011	5.6
119.08594	11.6
121.10132	22.6
123.08030	1.7
123.11710	9.1
126.75136	1.1
131.08536	11.3
133.10109	10.5
135.11679	14.2
137.09619	1.7
137.13234	2.6
145.10136	6.9
147.11676	6.9
149.09647	1.6
149.13281	9.9
151.08759	1.5
159.11671	5.4
161.13278	6.4
163.14807	5.1
173.13252	4.1
175.14874	1.4
187.14867	4.1
189.16335	1.6
243.20990	4.8
261.22177	8.9
271.38580	1.2
292.19510	1.3
301.08737	1.4
317.24677	3.8
335.25790	82.6
336.26035	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	335.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.9
55.01867	2.0
55.05269	1.6
55.05512	24.5
57.03441	28.1
57.07058	2.7
63.91303	1.5
65.03941	3.2
65.57388	1.6
67.05506	100.0
69.07070	19.1
69.59776	9.5
79.05495	51.6
81.07057	90.0
83.04999	2.4
83.08597	9.0
85.06559	2.9
91.05481	27.7
93.07047	56.7
93.07635	3.2
95.04973	5.9
95.08607	68.8
97.06509	2.9
97.10178	3.9
105.07037	19.1
107.08598	28.5
109.06518	2.6
109.10164	30.9
111.08092	1.8
117.07025	5.2
119.08579	12.0
121.10142	25.7
121.57822	1.4
123.08074	1.5
123.11700	10.7
125.09653	1.5
131.08545	9.9
133.10127	9.3
135.11691	16.1
137.13231	5.1
145.10110	5.7
147.11694	6.0
149.13277	7.2
159.11705	4.6
161.13274	7.2
163.14833	4.2
173.13275	6.4
175.14914	1.8
177.16377	1.8
187.14821	3.2
212.29918	1.7
243.21165	7.9
261.22180	7.6
317.24615	3.7
335.25815	78.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.5
55.01853	2.0
55.05263	1.4
55.05505	17.3
56.96550	3.2
57.03431	19.7
57.07077	4.9
57.07292	0.8
65.03922	2.7
67.05497	79.7
68.05809	1.0
69.03435	1.3
69.06719	1.8
69.07061	22.9
70.66892	3.1
70.67249	0.8
71.04973	2.4
79.05486	47.3
81.07048	77.2
83.04989	1.0
83.08611	10.7
85.06523	2.3
91.05466	24.3
93.07034	51.2
95.04956	5.7
95.08597	60.1
97.06481	3.0
97.10138	3.1
99.08076	1.6
105.07018	18.4
107.08582	25.4
109.06490	2.1
109.10146	26.0
111.08087	1.4
117.06995	4.5
118.97980	1.3
119.08568	14.4
121.09297	1.8
121.10129	21.5
123.08059	1.8
123.11697	9.5
129.05412	1.0
129.06926	1.5
131.08528	8.0
132.99567	5.3
133.10124	12.5
135.11678	15.8
137.13249	2.9
142.98003	7.2
143.08533	1.0
144.99542	3.2
145.10098	8.4
147.11697	8.6
148.56064	1.0
148.98994	0.9
149.13231	10.7
151.00565	2.0
155.98727	2.1
156.01141	1.0
156.99532	3.6
159.01089	1.3
159.11687	6.5
161.13242	6.9
163.00702	1.1
163.11142	1.0
163.14763	2.5
168.99539	4.2
171.01114	1.7
171.11635	1.3
172.99051	1.6
173.13234	5.3
175.14798	2.8
176.98524	5.1
179.01674	1.1
183.01094	1.6
183.22643	0.8
185.99585	1.0
187.00554	2.0
187.14760	3.3
191.00117	6.2
193.03212	1.1
197.07243	1.3
201.02148	1.3
203.00092	1.4
205.01659	2.7
211.00642	1.7
214.01791	1.1
215.00015	1.0
217.01662	2.2
243.21147	4.6
247.16916	1.0
261.22070	9.2
271.78369	0.9
277.21494	1.0
317.16824	2.3
317.24768	4.2
331.10501	1.1
335.13150	5.2
335.17480	4.5
335.21829	31.0
335.25748	100.0
336.13004	1.2
336.22089	1.6
336.25961	2.6
353.18771	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2578
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.39473	0.9
52.98018	0.9
53.03941	4.7
55.05507	24.3
57.03436	26.0
57.07064	4.1
64.99951	0.9
65.03930	4.4
67.05499	100.0
69.06712	2.1
69.07061	25.1
71.04989	2.2
71.08624	1.2
71.44364	2.4
71.44742	1.6
79.05487	51.3
81.03412	1.6
81.07050	90.6
83.04990	1.5
83.08612	9.7
85.06529	2.0
91.05470	24.6
93.06117	1.2
93.07035	50.4
95.04948	5.5
95.08599	73.8
97.06532	4.8
97.10168	2.8
105.07027	17.9
107.05004	1.4
107.08579	26.5
107.09274	1.9
109.06523	2.6
109.10153	29.0
111.08086	1.6
117.07001	5.4
119.08590	15.6
121.10143	18.5
123.08047	1.1
123.11698	9.2
131.08562	9.0
133.10132	11.0
135.08084	1.1
135.11696	14.5
137.13252	1.9
142.97968	1.3
145.10126	7.0
147.11687	5.1
149.13254	8.0
153.12738	1.5
157.10112	1.4
159.11673	6.1
161.13297	6.5
163.11189	1.3
163.14842	2.5
171.11639	1.6
173.13242	3.9
175.14853	1.7
187.14836	2.6
193.10229	1.2
238.03775	2.8
243.21057	4.6
244.21579	1.2
261.22083	7.0
317.24716	2.3
335.21902	62.6
335.25821	96.8
336.11014	3.2
336.22189	3.3
336.25998	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2575
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
52.95778	0.9
53.03937	3.0
53.05005	0.8
55.01858	2.7
55.05262	1.4
55.05507	21.0
57.03433	21.8
57.07061	3.8
61.79811	1.0
65.03931	3.3
67.05501	87.8
69.06668	1.0
69.07059	19.5
69.15217	0.9
69.45024	8.0
71.04984	1.8
79.05484	41.1
80.02287	0.9
81.07050	86.2
83.04945	2.0
83.08618	9.7
85.06535	2.2
91.05479	24.3
93.07038	51.5
95.04961	4.6
95.08601	69.8
97.06516	3.4
97.10162	2.5
99.08067	2.1
105.07022	17.1
107.08586	31.2
109.06509	1.8
109.10146	30.8
109.10918	1.5
111.08070	2.6
117.07015	6.4
119.08576	15.6
121.10133	24.9
123.08075	2.1
123.11706	10.9
125.09607	1.4
129.05495	1.7
131.08554	10.6
133.10127	10.5
135.11674	18.8
137.13234	3.4
139.11162	0.9
145.10112	8.9
147.11679	8.6
149.09616	1.1
149.13219	10.6
151.11125	1.3
151.14804	1.1
154.22868	0.9
158.10983	0.9
159.11685	6.1
161.13266	7.6
163.11281	1.4
163.14832	5.2
165.12827	1.4
171.11681	0.9
173.13278	6.1
175.14815	2.4
177.12740	1.6
177.16373	2.2
179.14265	1.2
185.02737	0.9
187.14799	4.0
189.16393	1.3
201.16347	1.4
205.15944	1.1
216.24477	0.8
243.21051	10.4
261.22141	13.5
301.48819	0.9
317.24762	2.5
335.25793	100.0
336.26276	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92375	0.7
53.03947	4.8
55.01873	1.1
55.05514	27.1
57.03440	29.2
57.07084	2.1
65.03947	4.0
67.05507	100.0
69.03437	0.9
69.07070	20.7
70.21689	1.9
70.22095	1.6
71.05001	2.3
77.29993	0.7
79.05006	0.9
79.05495	53.9
81.07060	82.4
83.04978	2.6
83.08619	9.1
85.06556	1.8
91.05486	23.0
93.07048	48.7
95.04983	6.5
95.08612	64.5
97.06546	3.4
97.10178	2.0
99.08076	1.0
105.04533	1.2
105.07034	14.1
107.08601	20.6
109.06527	3.1
109.10159	22.2
111.08080	1.8
111.11733	0.9
117.07019	4.6
119.08599	9.4
121.10155	17.3
121.11034	1.0
123.08082	2.1
123.11735	6.8
130.04436	0.8
131.08585	5.8
133.10143	7.7
135.11713	9.9
136.01978	0.7
137.13255	1.6
145.10081	3.6
147.11678	4.6
149.13277	4.6
151.11310	1.0
159.11757	2.5
161.13234	2.7
163.14891	1.5
173.13286	2.8
175.14746	0.8
187.14883	1.3
200.59700	0.7
220.81329	0.8
261.22168	2.0
335.25821	65.3
336.25983	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2578
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03950	3.2
53.18340	0.7
55.01870	2.7
55.05510	20.1
56.96569	0.7
57.03437	24.8
57.07073	4.5
60.04519	1.8
62.06075	3.4
65.03942	3.6
67.05502	100.0
69.07063	17.1
69.38566	6.2
71.04993	1.9
71.08636	1.0
77.03930	0.9
78.76527	0.7
79.05491	50.6
81.03443	1.0
81.07053	83.6
82.07398	0.9
83.04989	2.2
83.08610	9.4
85.06560	1.7
88.62025	0.6
90.13535	0.6
91.05477	31.8
93.07040	62.4
94.07381	0.9
95.04967	8.0
95.08603	57.8
96.08945	0.9
97.06545	2.4
97.10158	3.1
98.21497	1.7
98.98557	0.6
99.08091	1.7
105.04495	1.4
105.07026	18.8
107.04991	1.6
107.08589	25.3
109.06520	2.3
109.10152	20.2
111.08092	1.4
115.05482	0.7
117.07003	8.6
119.08566	14.0
121.02768	1.0
121.06496	0.8
121.10145	17.7
121.11007	1.1
123.08068	1.9
123.11683	8.2
124.35320	0.7
129.05452	1.9
129.07019	0.9
131.08563	14.9
133.10130	8.7
135.08046	1.1
135.11702	12.4
137.09639	2.0
137.13248	4.1
143.08572	1.1
145.10123	7.8
147.11702	5.2
149.09709	1.6
149.13260	10.8
151.14806	0.8
155.07018	0.7
159.11681	5.3
161.13232	4.6
163.11206	1.7
163.14854	5.8
173.13251	5.4
175.14885	2.6
177.12686	1.1
177.16409	1.3
179.14261	0.7
180.54547	0.8
187.14825	3.3
189.16330	1.2
191.14345	1.1
195.13937	0.7
201.16364	1.2
205.15970	0.8
243.21045	5.2
261.22134	7.9
275.20166	1.4
294.79327	0.8
317.24738	2.0
317.28799	1.3
318.24243	5.2
335.25775	60.2
336.25604	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	335.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.2
55.01857	1.1
55.05258	1.7
55.05507	22.3
57.03436	27.5
57.07069	5.2
65.03926	4.0
67.05502	100.0
67.25451	1.0
69.06718	1.6
69.07066	21.2
70.35838	4.0
71.04976	3.7
79.05489	54.2
81.03400	1.3
81.07052	91.2
82.47208	0.9
83.04974	3.6
83.08614	9.5
85.06553	2.3
91.05473	26.4
93.07038	62.0
95.04957	8.7
95.08599	72.3
96.08922	1.0
97.06528	3.3
97.10154	2.4
105.07018	18.3
107.04974	1.2
107.08588	31.6
109.06533	2.5
109.10153	29.7
111.08002	1.0
117.07019	5.7
119.08570	14.3
121.09314	1.5
121.10136	23.4
123.08096	2.1
123.11684	9.0
123.12287	0.9
125.09620	1.2
131.08566	10.1
133.10135	10.6
135.11678	18.1
137.09592	1.9
137.13248	3.8
139.11185	1.1
145.10127	7.3
147.11670	8.2
149.13260	9.0
151.14862	1.6
158.17070	1.1
159.11687	6.4
161.13210	6.0
163.14784	4.7
165.12755	1.0
173.13277	5.9
175.14832	3.7
177.12668	1.8
177.16388	1.9
187.14812	2.9
232.50500	1.0
243.21162	6.3
261.22104	9.9
317.21365	1.0
317.24789	4.2
335.22626	3.6
335.25784	97.5
336.26129	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	335.2577
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03938	4.0
55.05256	2.0
55.05509	27.2
57.03432	25.4
57.07071	3.0
65.03922	2.5
67.05502	96.6
67.35840	1.4
69.06716	1.9
69.07069	24.2
71.04977	3.2
71.44427	2.8
75.87077	1.4
79.05488	47.3
81.07052	77.0
83.04978	2.6
83.08629	6.7
85.06537	1.9
87.03884	1.4
91.05476	23.1
93.07043	49.5
95.04954	5.2
95.08604	64.5
97.06503	3.0
97.10158	3.4
99.08121	1.4
105.07024	14.4
107.08588	23.4
109.06493	3.1
109.10155	21.0
117.07021	4.0
119.08538	8.8
121.10138	21.0
123.08030	2.4
123.11710	8.8
131.08568	6.5
133.10147	6.6
135.11682	9.5
137.09651	1.4
138.44405	1.5
145.10089	3.2
147.11682	5.3
149.13245	5.6
159.11684	3.7
161.13304	2.4
163.14806	3.1
165.12761	1.3
173.13179	3.5
177.12724	1.2
187.14859	1.4
261.22186	2.6
317.24802	6.0
333.88556	1.4
335.21863	100.0
335.25821	94.0
336.22253	5.2
336.25952	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	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
52.45940	1.1
53.03924	2.8
53.15767	1.0
55.05505	20.7
57.03431	23.6
57.07058	2.5
60.85872	1.1
65.03930	3.7
67.05499	88.1
68.05811	1.0
69.03401	1.2
69.06714	1.6
69.07061	19.8
70.03651	3.4
70.04070	1.9
71.04978	2.3
79.05486	43.6
81.07047	87.9
81.28429	1.0
83.04948	2.0
83.08607	7.7
85.06522	2.2
86.03442	0.9
91.05471	20.5
93.07033	49.3
93.90958	0.9
95.04949	4.2
95.08597	63.2
97.06516	2.8
97.10159	4.0
99.08057	1.5
105.07019	14.8
107.08583	27.9
109.06504	3.3
109.10140	26.5
111.08081	1.6
117.06987	4.5
119.08575	12.4
121.03823	1.0
121.10131	21.3
123.08028	2.9
123.11703	10.5
131.08545	8.8
133.10129	9.8
135.11690	13.5
137.13226	3.6
137.62689	0.9
145.10127	7.7
147.11691	7.4
149.13272	6.9
153.01793	1.0
159.11661	6.6
161.13261	4.7
163.14786	4.6
171.11655	1.1
173.13234	4.6
175.14861	2.1
177.16425	1.7
187.14848	2.6
201.16440	1.3
219.17258	1.0
243.21025	7.1
249.23109	1.0
261.22125	10.0
289.24243	1.0
290.11835	1.1
317.24594	3.8
318.56357	0.9
335.25757	100.0
336.26199	3.0
350.72501	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.3
55.01840	1.4
55.05264	1.7
55.05506	25.8
57.03189	2.0
57.03436	26.0
57.07071	12.8
65.03918	5.3
67.05499	100.0
69.07062	43.3
70.04043	3.0
70.84473	1.9
70.84811	2.7
71.04966	3.0
75.44739	1.5
79.05486	54.9
81.03363	1.5
81.07047	80.3
82.97624	1.6
83.04960	3.9
83.08604	9.0
85.06526	1.8
89.51110	1.4
91.04950	2.7
91.05470	28.1
93.06465	2.9
93.07037	54.0
95.04962	7.8
95.08595	64.0
96.08936	1.4
97.06509	3.6
97.10131	2.4
98.98454	3.1
99.08056	1.8
101.09636	9.9
105.07013	16.5
107.08579	24.9
109.06507	3.4
109.07589	1.7
109.10140	26.7
110.03499	2.5
115.07552	2.8
117.06989	4.3
119.08583	9.9
121.10133	21.4
123.08066	1.4
123.11679	7.5
126.99425	1.6
129.01044	2.5
129.09103	3.3
131.08513	9.2
133.10103	9.0
135.11696	11.8
137.13303	2.3
141.00966	2.6
145.10130	6.6
147.11650	5.5
149.13240	6.1
155.02464	1.8
159.11656	3.6
161.13197	2.8
163.14772	2.3
167.19955	1.3
173.13232	3.9
177.16560	1.5
187.14880	1.9
197.07262	12.4
220.02748	3.0
243.21159	1.9
261.22128	4.7
302.21576	1.5
335.22150	5.8
335.25775	92.7
336.11011	17.2
336.25998	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	335.2578
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.02369	1.6
51.73939	0.9
53.03947	4.7
53.73067	1.0
55.01851	2.3
55.05258	1.5
55.05511	20.2
57.03437	27.1
57.07077	4.6
58.10729	1.0
65.03935	3.2
67.05501	100.0
69.07066	15.5
69.33579	6.1
69.33993	2.9
71.04989	2.1
71.08617	1.7
79.05488	57.9
81.03405	1.6
81.07053	97.7
83.04977	2.6
83.08615	11.6
85.06528	2.0
91.04898	1.4
91.05473	28.5
93.07040	66.3
95.04966	6.6
95.08601	83.1
97.06496	3.1
97.10157	3.8
99.08054	1.2
103.03938	1.8
105.07023	18.6
106.07389	1.1
107.08592	41.8
109.06525	2.5
109.10155	31.7
111.08064	2.1
117.07014	7.7
119.08580	18.8
121.10134	29.3
123.08043	1.8
123.11700	11.1
125.09629	1.0
129.05464	4.9
129.06963	1.0
131.08559	15.8
133.10124	13.4
135.11671	17.2
137.09566	1.4
137.13295	5.3
145.10097	12.7
147.11693	9.0
149.09596	1.5
149.13254	9.8
151.14853	2.0
155.06985	2.4
159.11674	9.1
161.13216	9.6
163.11183	1.5
163.14819	7.4
165.16370	1.2
171.11511	1.1
173.13251	7.5
175.14853	5.7
177.12700	1.8
177.16356	2.2
187.14810	3.8
211.89034	1.1
214.49420	1.0
214.51559	1.0
217.19400	3.5
219.21121	1.3
233.22618	2.4
243.02641	1.0
243.21092	18.2
245.04314	1.0
245.22769	2.5
261.22110	19.1
277.21786	1.3
305.24847	1.0
317.24686	8.3
335.21835	12.6
335.25745	91.8
336.22186	1.1
336.26102	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	335.2577
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.79131	1.1
53.03936	3.9
55.05264	1.4
55.05508	21.0
57.03431	23.4
57.07066	3.3
65.03930	2.8
67.05499	97.9
69.07063	20.0
71.04958	2.2
79.05486	49.7
81.07049	93.6
83.04977	2.2
83.08625	8.6
85.06530	1.9
91.05474	24.3
93.07034	57.3
95.04987	5.5
95.08597	71.5
96.08926	1.3
97.06514	3.6
97.10146	4.3
98.20510	1.7
99.08038	1.5
100.09835	1.2
105.07018	17.5
107.08582	28.6
109.06487	3.1
109.10149	31.1
111.08065	1.7
117.07005	6.0
119.08582	14.8
121.10130	23.4
123.08070	2.0
123.11681	10.7
129.05469	1.4
131.08551	8.3
133.10123	12.6
135.11674	14.3
137.09575	2.6
137.13211	2.7
145.10094	7.4
147.11670	7.7
149.09546	1.4
149.13228	8.7
151.11165	1.4
159.11687	5.3
161.13329	6.2
163.14816	2.7
167.15825	1.0
173.13226	5.5
175.14838	1.8
187.14810	4.4
201.16441	1.9
229.85156	1.1
230.33084	1.3
243.21136	6.5
261.22009	10.4
317.24692	3.2
335.25766	100.0
336.26221	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.12928	1.2
51.02348	1.2
53.03933	4.3
55.01857	3.9
55.05259	1.5
55.05507	23.3
56.05021	1.5
56.05833	1.7
56.96546	2.3
57.03183	2.0
57.03433	26.7
57.07067	7.1
58.06598	1.3
65.03920	3.2
67.05498	100.0
69.07063	20.2
70.04076	1.3
70.06585	2.0
70.49963	3.4
71.04984	2.9
71.08603	2.0
72.08154	1.5
73.02885	2.4
79.05486	62.6
81.03408	2.1
81.07047	93.1
83.04963	2.9
83.08611	11.6
85.06532	2.7
86.06044	1.6
88.07611	6.5
89.07900	1.6
91.05473	35.5
93.07036	68.0
94.07345	1.3
94.09296	1.2
95.04961	8.7
95.08598	84.0
95.40988	1.0
96.08895	1.5
97.06510	5.3
97.10143	6.1
99.04435	1.8
99.08077	2.9
103.03925	1.7
104.07071	1.7
105.04538	1.1
105.07017	30.1
107.04915	2.5
107.08584	41.3
107.82169	1.1
109.06502	3.8
109.10150	33.4
110.06051	2.2
110.10503	1.2
111.06389	1.7
111.08064	2.8
111.11710	1.6
112.46822	1.1
117.07023	7.5
119.08565	22.2
121.10134	26.6
123.08080	2.4
123.11692	12.8
125.09583	2.4
129.05466	4.0
131.08553	22.7
133.10114	18.5
133.95361	1.1
135.08006	1.4
135.11674	17.6
137.09607	1.8
137.13242	4.5
139.11186	1.7
143.08548	2.1
145.10109	13.1
147.11668	9.7
149.09595	3.5
149.13229	10.1
151.11153	1.5
151.14851	2.5
155.07014	1.8
155.08540	1.5
157.10139	2.8
158.10793	1.6
159.07944	1.1
159.11665	13.3
161.09572	1.2
161.13229	9.1
163.11105	1.8
163.14793	8.1
167.10526	1.2
171.11650	3.1
173.13246	11.2
175.14836	4.0
177.16357	3.6
181.10100	1.3
185.13220	2.1
187.14775	6.1
189.16449	1.4
201.16335	2.3
205.15977	1.4
205.88435	1.2
211.06088	1.2
211.14819	1.4
217.19606	1.9
219.17358	2.0
219.20975	1.2
229.11038	1.2
233.22487	2.5
238.03770	2.0
242.24666	1.7
243.21109	19.4
243.24974	7.8
245.22377	1.6
247.12206	2.9
251.08353	1.2
259.12042	2.0
261.22137	18.7
275.19952	3.1
276.20291	1.4
279.23273	1.8
287.27573	2.8
291.23203	1.6
293.23019	3.0
295.78955	1.4
312.08298	2.8
317.17999	1.7
317.25012	8.0
335.13345	2.6
335.18234	2.2
335.21927	18.4
335.25690	78.2
335.29846	28.1
336.11014	1.4
336.26248	2.8
353.19803	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	335.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.9
55.01886	1.1
55.05508	25.9
55.19382	1.1
57.03437	27.0
57.07061	2.3
65.03933	3.8
67.05502	100.0
69.06725	1.6
69.07066	20.3
70.12605	5.6
71.04992	1.8
79.05489	52.3
81.07054	81.1
83.04942	2.0
83.08612	8.7
85.06539	2.2
91.05482	25.1
93.07038	47.7
93.70043	1.1
95.04975	7.0
95.08604	62.8
97.06516	2.5
97.10176	4.4
100.91326	1.1
104.52064	1.1
105.04484	1.5
105.07026	15.3
107.08584	23.4
109.06515	1.7
109.10155	19.9
117.07005	3.3
119.08555	7.5
121.10142	16.5
123.08046	1.6
123.11680	6.5
131.08578	7.4
133.10101	6.1
135.11679	9.8
145.10124	3.9
147.11665	2.8
149.13237	4.0
158.32880	1.1
159.11720	3.5
161.13287	2.5
162.87535	1.3
173.13261	1.6
243.21118	1.4
261.22003	1.7
335.25778	68.8
336.26154	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2577
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03931	3.7
55.05507	19.1
57.03429	23.0
59.78207	2.7
67.05172	6.0
67.05501	82.7
69.07063	17.0
71.03088	7.1
71.04955	3.2
79.05484	36.9
81.06577	4.0
81.07052	72.2
83.04948	3.7
83.08586	8.8
85.44051	2.7
91.05489	17.8
93.07044	43.9
95.04961	3.8
95.08598	62.4
97.10155	7.1
101.65466	3.1
105.07016	13.4
107.08591	21.0
109.10151	30.2
117.06992	6.0
119.08546	16.0
121.10139	16.6
123.11709	9.0
129.33957	2.8
130.23117	3.0
131.08585	7.1
133.10143	4.1
135.11670	12.8
138.49248	3.3
145.10172	5.0
147.11646	7.0
149.13234	5.7
153.23111	3.0
159.11642	5.7
161.13219	4.0
163.14774	3.2
173.13191	3.3
235.98741	3.4
243.21086	3.6
261.22101	8.0
327.82996	2.8
335.17181	3.8
335.25766	100.0
336.26389	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	335.2577
Annotation	fusicocca-1,10(14)-diene-16-(hydroxymethyl)-3,8beta-diol
Peak:m/z	Relative Intensity
53.03935	2.3
54.57338	1.0
54.94766	1.1
55.01862	2.4
55.05302	1.1
55.05513	13.0
57.03435	8.7
57.07066	8.3
65.03935	2.2
67.05499	33.1
69.03411	2.2
69.07066	19.1
71.04665	1.8
71.04990	2.0
71.08631	7.0
79.05494	18.5
81.07056	37.3
83.04980	2.7
83.08620	6.9
85.06525	3.5
91.05471	11.0
92.43443	1.0
93.07037	23.8
95.04959	17.2
95.08601	27.8
97.06544	5.7
97.10155	1.9
99.08092	6.0
105.07020	15.1
107.08603	11.5
109.06510	35.4
109.10145	12.2
111.08097	1.7
111.09190	5.0
115.50641	0.9
117.07001	2.5
119.08572	10.6
121.06477	6.9
121.10133	9.6
123.08052	4.0
123.11712	4.6
125.46465	1.0
131.08589	5.2
133.10133	7.2
135.08046	4.1
135.11655	6.9
137.13242	1.3
145.10109	6.0
147.11682	5.4
149.09644	2.1
149.13243	3.9
151.08705	1.6
159.11671	3.2
161.13234	4.0
163.11134	2.9
163.14774	1.4
165.12744	80.5
167.14397	1.0
173.13261	2.8
175.14836	2.9
177.12732	4.1
177.16386	1.4
179.14215	2.3
179.15633	1.1
187.14857	1.7
191.14151	1.1
201.16391	1.5
207.15060	1.2
217.87929	1.0
219.17404	2.8
234.36208	1.2
261.22134	2.4
271.33902	1.0
279.19519	4.6
289.25244	7.7
299.23636	1.9
307.26364	1.2
317.24771	38.0
318.25101	2.0
335.25784	100.0
336.26138	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	335.219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97550	1.1
53.03931	1.1
55.05512	9.4
57.03437	5.7
58.12408	0.9
61.94473	0.8
67.05502	30.9
69.07056	7.8
71.04971	1.5
71.44200	2.2
79.05057	1.4
79.05490	17.4
81.06576	1.6
81.07052	24.4
83.08608	3.1
91.05473	8.3
93.07041	16.2
95.04957	2.6
95.08600	20.1
97.10185	1.1
105.07017	5.0
107.08581	6.5
109.06528	1.9
109.10137	7.1
117.07035	0.9
119.08582	3.5
121.10111	5.1
123.11707	1.6
131.08563	1.6
133.10139	2.2
135.11665	3.1
145.10097	1.6
147.11620	1.4
149.13243	2.0
160.03282	1.0
175.14969	1.1
212.62767	1.0
218.96330	0.9
238.03763	1.0
277.21835	1.0
287.91635	1.1
294.24295	2.3
317.24689	4.3
335.21866	100.0
335.25778	22.9
336.22092	4.2
336.25577	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	335.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01875	0.7
53.03945	3.1
55.01868	1.4
55.05509	25.6
56.96559	1.2
57.03433	24.6
57.07071	4.9
59.34622	0.5
62.09699	0.6
63.01367	0.6
65.03936	3.3
67.05501	100.0
69.03426	0.9
69.07065	26.2
70.04060	1.7
71.04990	2.3
71.59500	0.7
74.83794	0.6
77.03878	0.8
79.05489	50.9
80.05817	1.0
81.03395	0.9
81.07051	78.3
81.17497	0.6
82.07383	0.8
83.04977	2.9
83.08618	10.4
85.06531	2.0
91.05474	25.9
93.07037	50.7
95.04969	6.7
95.08601	62.3
96.08884	1.0
97.06527	3.1
97.10150	2.8
98.98463	1.0
99.08062	0.9
105.04523	1.3
105.07020	14.7
107.04972	0.9
107.08586	22.6
109.06485	2.2
109.10149	24.2
111.04375	0.7
111.08045	1.4
115.05369	0.5
117.07006	4.2
119.08580	12.1
119.28572	0.6
121.10140	19.9
123.08046	1.7
123.11699	7.0
125.09586	1.2
129.05478	0.7
129.06902	0.8
130.07822	0.7
131.08586	7.1
133.10126	8.5
135.11690	9.9
137.09589	1.1
137.13174	1.5
143.08481	0.7
144.09212	0.5
145.10094	4.6
147.11685	6.1
149.09579	0.8
149.13261	4.3
151.11111	0.5
151.14789	0.6
157.06282	0.9
159.11678	3.7
161.13211	3.2
163.14809	1.5
173.13252	3.5
175.14783	2.0
187.14732	1.4
191.14250	0.8
197.07278	0.8
220.02713	0.9
235.12941	0.7
238.03766	3.4
243.20999	1.2
257.66794	0.8
261.22150	3.4
294.09860	0.9
317.20825	0.8
317.24509	0.8
335.21677	72.8
335.25598	81.3
336.10831	2.2
336.21924	3.0
336.25720	2.4
338.06406	0.6
348.00412	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38893	0.6
53.03943	1.3
55.01860	1.2
55.05507	10.0
56.96554	0.7
57.03434	10.3
57.07066	2.5
58.29397	0.7
65.03936	2.2
65.21389	0.7
67.05500	38.2
69.07064	11.3
70.04082	1.8
71.04984	0.8
79.05489	19.9
81.07051	32.1
82.21633	0.7
83.04968	1.5
83.08624	3.9
85.06535	0.9
91.05466	12.2
93.07038	18.5
95.04967	3.0
95.08599	25.6
97.06508	1.9
97.10168	0.9
105.07040	4.8
107.08587	10.0
109.06538	1.0
109.10146	9.6
111.08069	0.8
117.07013	1.9
119.08589	4.7
121.10115	9.1
123.08087	1.4
123.11711	3.5
131.08565	3.0
133.10112	3.3
135.11650	4.9
145.10146	2.0
147.11685	1.9
149.13258	2.9
159.11696	1.2
161.13232	2.1
169.38715	0.7
173.13290	1.4
175.14845	0.9
187.14809	0.9
197.07201	0.7
261.22263	1.4
335.21906	100.0
335.25806	37.7
336.22281	4.7
336.25903	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.8
56.96572	1.1
57.07052	1.0
67.05501	3.3
69.03417	1.8
69.07055	2.6
70.04066	0.6
70.06592	1.2
70.81068	1.8
71.04990	0.6
75.41388	0.6
79.05479	2.1
81.03403	1.0
81.07059	3.1
85.02885	0.7
85.23933	0.5
86.09701	34.3
91.05471	2.5
93.07048	3.3
94.07906	0.8
95.04962	1.5
95.06079	0.6
95.08585	3.5
98.98457	0.7
103.05466	4.1
105.07030	2.3
107.04953	4.3
107.08587	2.5
109.06508	0.8
109.10152	1.1
117.06992	0.7
119.08585	1.4
120.08096	100.0
121.06483	5.0
121.08397	1.5
121.10143	0.6
123.08054	1.4
128.10706	14.1
128.11649	0.9
131.04941	1.2
133.10152	1.2
135.08047	0.8
147.08110	0.7
151.07585	1.1
156.10190	2.8
160.45204	0.6
161.13326	0.8
163.07547	2.8
180.10187	48.6
181.10532	1.1
189.12651	0.7
197.13144	0.6
207.13863	0.7
215.06340	0.7
219.04831	2.0
335.14310	1.4
335.29883	1.4
341.10745	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79432	0.7
55.05503	1.1
56.08513	0.6
60.95836	2.6
66.92730	0.7
67.05493	2.9
69.62508	4.8
71.66422	0.6
79.05486	2.5
80.05811	0.9
81.07049	2.0
84.08145	1.5
90.85709	0.6
91.05475	2.4
93.07020	2.8
95.08599	1.5
95.36040	0.7
98.98468	1.1
105.07030	1.0
107.04926	1.2
107.08580	1.6
108.08985	0.8
119.08588	1.2
121.10112	1.4
125.37339	0.7
131.08540	1.3
220.11345	0.7
233.44345	0.8
335.18277	100.0
336.18600	2.6
353.15753	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	335.1828
Annotation	Dihydroactinospectacin
Peak:m/z	Relative Intensity
52.27575	0.8
55.01883	0.8
55.05512	1.3
57.03426	1.4
57.07079	1.0
67.05495	3.6
70.06580	2.3
71.59340	1.2
79.05485	2.9
81.07046	3.2
83.08614	1.1
86.09701	0.9
91.05486	2.8
93.07043	2.6
95.08595	3.0
98.98470	1.4
105.06994	1.9
107.04971	2.2
107.08597	1.6
108.78184	0.7
109.10192	1.0
119.08591	1.3
120.40447	0.8
121.10152	1.2
128.71431	0.8
131.65495	0.8
132.10191	0.7
133.10345	0.7
135.11671	0.9
164.83842	0.7
208.55028	0.7
216.62238	0.8
240.76169	0.9
273.26059	4.0
335.18289	100.0
335.24847	2.9
335.29544	6.9
336.18781	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98233	0.3
56.05033	0.6
56.05570	0.3
65.03942	2.7
69.07065	13.5
69.59071	2.3
83.06098	6.7
84.04501	29.6
85.02918	0.6
86.09702	2.8
90.51787	0.3
94.61787	0.4
96.04493	0.4
101.07140	5.8
102.05542	0.7
105.20591	0.3
107.04957	0.3
109.02921	0.4
109.62255	0.3
111.04443	2.7
113.07124	1.4
115.16106	0.3
121.02864	100.0
122.03197	1.4
129.05615	0.5
129.06599	15.7
130.04999	20.3
136.06174	0.8
138.05484	3.4
141.06633	0.6
142.04985	0.5
147.07639	5.1
148.06197	0.4
152.10704	8.4
169.08607	0.8
169.13356	9.1
170.13631	0.3
180.10220	0.8
197.12848	9.0
198.11279	3.0
198.13094	0.5
204.12527	0.9
215.13905	17.9
216.14355	0.4
227.17670	0.3
249.08768	1.2
250.07108	2.5
267.09787	3.1
289.15533	1.0
313.91736	0.3
317.01050	0.4
317.14874	1.7
318.15518	0.3
335.15994	4.9
336.16483	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1392
Annotation	NK 372135C
Peak:m/z	Relative Intensity
55.05508	3.9
56.05034	2.5
56.96553	3.8
57.03442	3.5
57.07869	1.8
65.34595	1.6
67.05501	12.1
68.05028	16.9
69.07065	2.8
70.06602	12.0
70.67312	1.9
71.58150	2.9
71.58529	2.1
72.08153	10.5
74.47038	2.3
79.05493	7.8
81.03402	2.1
81.07047	6.7
84.04495	3.5
84.08139	7.7
86.06075	2.2
86.09711	9.9
91.05474	7.9
93.07024	4.8
95.04986	2.4
95.08610	4.2
103.05464	7.1
104.10752	1.8
105.07021	5.0
107.04958	12.4
107.08582	1.9
109.10191	2.1
110.07163	3.0
112.03957	4.4
112.11189	1.9
115.05455	7.5
117.07012	15.9
118.06558	28.0
120.08122	5.3
124.90214	2.2
125.01608	4.8
129.10228	4.2
130.06528	100.0
131.04933	30.8
131.08577	2.8
132.08084	8.1
133.06487	8.0
135.11713	3.7
142.06506	4.6
143.07372	2.8
144.08080	25.8
145.06500	22.2
145.10110	2.5
146.06010	64.8
147.04489	2.4
148.07584	53.6
152.07137	3.0
155.06046	4.3
157.06541	2.1
159.09196	10.0
160.07579	68.1
160.08839	4.1
162.06866	3.1
162.09154	15.0
166.08641	2.9
168.08112	2.6
169.07724	2.1
170.06013	8.9
184.07433	3.5
188.07080	31.6
203.93585	1.9
206.08124	42.4
243.17346	2.0
248.10596	2.0
248.16429	3.3
261.11606	2.1
262.12360	3.5
284.52005	2.2
289.13400	3.2
318.11215	2.6
335.13950	73.6
335.19116	4.9
335.25662	6.7
336.14191	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	335.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.7
55.01838	1.6
55.05487	1.4
55.84975	0.6
56.96555	4.6
65.03907	0.7
67.05461	1.4
69.03386	1.0
69.07047	1.1
69.22637	0.6
70.06597	3.6
71.04948	0.8
71.59442	0.8
71.95256	0.8
72.08124	1.7
72.08473	0.7
72.47681	0.8
79.05486	1.4
80.04966	0.9
81.03394	1.8
81.07029	1.5
84.04456	1.1
84.08102	1.7
85.02886	0.9
86.06041	1.5
86.09673	1.6
91.05450	1.7
92.05016	0.7
93.07011	0.8
94.06575	6.7
95.04923	0.8
95.08564	0.8
97.06492	0.9
98.05989	1.0
98.97578	26.7
107.04940	4.1
108.04475	4.2
108.05097	1.0
110.06000	1.9
116.07043	0.7
116.98615	24.2
118.06496	0.7
119.98957	0.6
120.04402	2.0
120.08091	0.8
122.05173	0.7
122.06025	13.9
124.07549	1.7
130.06499	0.9
132.08049	1.2
134.06010	0.8
134.99655	14.0
138.05493	1.4
140.00063	0.9
146.05937	1.4
148.03909	4.2
149.01241	0.8
150.05481	2.2
150.09799	0.7
152.07037	2.7
153.00703	1.3
158.09636	1.2
158.98441	1.0
158.99632	10.5
160.07350	0.8
162.05402	0.7
166.05019	7.0
168.06567	2.9
170.08119	1.4
172.98946	1.0
173.07062	1.3
173.10834	1.3
177.00711	18.3
177.06625	0.8
183.09099	3.0
184.07610	0.8
185.07104	0.9
186.07860	2.1
187.08600	2.1
189.04407	1.0
195.01697	1.2
197.10712	2.2
199.08635	1.5
200.02345	1.4
200.09381	1.9
201.06599	1.9
201.10225	3.2
211.08682	7.1
212.07440	1.0
212.09392	6.2
213.06487	1.2
214.07314	7.4
214.10806	0.9
215.08159	8.4
215.11783	3.1
217.09657	1.4
219.01740	2.8
224.09435	0.8
225.10220	5.2
226.10901	1.1
227.08148	6.5
228.08696	4.1
229.06126	1.5
229.09737	8.2
233.03271	4.7
234.98936	1.8
237.02858	1.6
239.08072	5.8
240.06468	1.1
240.08925	23.7
241.09468	1.3
243.07652	3.1
243.11261	19.3
244.08411	1.1
244.59694	0.9
245.09296	2.5
251.04356	0.8
253.09708	11.8
254.10381	2.4
255.11357	0.8
257.09225	8.4
271.10751	17.6
275.04340	2.1
281.09113	2.5
289.11890	3.7
295.03238	1.1
299.10251	100.0
300.10577	1.7
317.11307	98.5
317.20477	3.2
318.11584	2.2
335.08432	1.4
335.12457	5.3
335.15976	0.9
335.19693	1.0
335.23285	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	335.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75141	1.1
56.05016	2.1
60.04528	1.7
63.99012	1.7
69.07058	2.2
70.06593	22.8
71.57358	2.6
72.08137	5.8
74.68484	1.2
75.94364	1.5
84.04507	14.6
84.08145	8.8
85.04826	3.9
86.09709	10.8
95.04967	1.4
95.06102	1.2
103.05467	2.1
105.07038	7.5
106.99668	3.6
107.04964	9.9
110.07178	4.9
116.07083	7.0
116.98616	1.3
118.06548	5.6
119.01931	2.2
119.06889	2.7
120.08121	3.5
129.10254	4.4
130.05032	4.1
133.06491	21.5
133.08437	2.4
135.02765	4.3
136.37428	1.5
142.08630	1.4
143.07024	1.7
144.08128	3.0
145.08440	4.3
146.06000	15.5
147.06363	14.0
152.50740	1.2
155.04680	14.0
159.09187	2.5
160.09523	4.0
171.06207	1.6
174.05516	2.9
188.07097	22.9
189.07414	34.5
195.67772	1.5
201.03740	7.0
201.05424	1.6
203.05281	27.1
205.09724	2.6
206.10069	3.9
221.06693	2.2
226.10652	3.8
229.15517	5.4
233.06557	4.2
251.07822	1.9
318.11829	1.5
335.11014	100.0
335.14600	9.6
336.11334	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88118	2.5
54.24810	2.2
55.13762	2.3
55.65189	2.4
56.05023	5.4
56.96566	28.9
57.03432	2.2
60.04513	6.4
69.03423	2.7
69.07112	2.7
70.06595	36.1
70.59847	5.9
70.60211	3.9
72.08151	11.7
74.06079	4.2
76.51663	2.4
77.69517	2.2
82.06467	2.1
84.04501	14.5
84.08143	28.9
84.96014	10.9
84.96456	2.4
85.02874	4.0
85.04834	3.2
86.06026	2.7
86.09718	16.0
88.03972	3.4
95.08594	2.8
97.02857	4.4
98.21466	2.9
98.97575	63.6
101.07104	2.4
102.97046	2.3
105.07011	4.9
107.04924	9.9
110.07161	9.4
110.97564	7.2
112.08749	2.6
116.07027	3.5
116.87347	2.4
116.98615	66.9
119.01869	3.0
119.06860	3.0
120.08117	4.5
121.06494	2.4
123.05540	6.0
128.07074	3.1
128.98590	22.9
129.10254	11.4
130.05035	4.9
130.06496	4.6
130.14195	2.5
131.00113	3.0
133.06454	10.1
134.99652	42.7
135.18575	2.6
137.02954	3.2
143.00128	5.6
144.98044	2.9
146.05981	6.7
146.99629	33.5
147.06375	5.6
149.01166	2.6
152.98576	7.5
153.00681	6.1
158.01237	3.1
158.99634	17.7
161.01215	10.3
162.99129	4.6
165.00650	5.4
170.99666	14.1
177.00720	28.7
179.02248	3.5
184.07339	3.5
188.07051	5.6
189.00714	9.7
189.07384	11.0
195.01744	4.3
207.01692	2.5
215.05856	2.9
219.01746	18.6
237.02803	45.5
255.03969	3.1
275.07776	11.3
293.09067	100.0
311.10101	19.6
316.10620	9.3
330.68619	2.4
335.09906	68.6
335.14606	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	335.0736
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
69.27100	58.5
69.27425	11.2
72.85480	5.3
98.97559	4.7
107.04930	7.6
119.51157	4.4
153.24019	5.0
156.76108	5.1
180.53047	4.6
335.07336	100.0
336.07718	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	335.0738
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
55.01863	2.1
56.05037	1.3
56.96565	10.9
57.03437	4.2
58.06592	0.7
60.04525	1.3
61.02915	1.8
61.72555	0.5
63.07663	0.6
65.04681	0.5
67.05518	0.6
69.03426	4.7
70.02932	0.9
70.06585	6.5
70.98116	1.1
71.01352	0.7
71.04977	1.0
71.58955	1.0
72.08151	2.1
73.02907	3.1
74.06075	2.4
74.97605	0.7
77.00901	1.1
79.05482	0.7
80.05025	1.1
81.03397	1.1
83.06127	0.6
83.26916	0.7
84.04482	2.3
84.08138	8.0
84.96023	1.8
85.02911	4.9
86.06084	0.9
86.09699	2.7
87.04436	0.9
88.99132	1.6
95.06091	0.7
97.02877	4.1
98.06057	0.8
98.96925	1.1
98.97575	17.0
99.04417	0.8
101.00854	2.9
103.00590	1.1
103.02489	0.7
105.00368	0.7
107.00195	0.9
107.04942	10.5
108.05281	1.2
108.08092	4.2
109.08402	3.8
110.06063	0.9
110.07133	1.2
110.08801	1.0
110.97545	1.1
113.00909	0.8
113.03487	5.5
115.02406	1.6
115.03916	2.5
116.07070	1.6
116.98617	15.6
118.01135	0.6
119.01908	18.5
119.04894	0.7
120.02003	1.4
121.01615	3.7
123.05563	2.8
127.02395	1.5
128.07060	1.4
128.98605	5.0
129.04019	0.7
129.10229	4.4
130.05060	0.9
131.00244	1.2
131.01894	8.2
133.01680	1.8
133.03456	6.1
133.04997	1.9
134.99657	12.7
135.03174	1.0
136.06223	0.9
136.07590	2.0
137.02945	3.4
137.07990	0.7
138.02919	0.9
139.02647	1.0
140.98648	0.8
142.03442	0.7
143.00175	1.6
143.01884	4.5
145.01703	1.8
145.03462	14.3
146.03569	0.8
146.99631	7.8
147.01401	1.2
147.03201	1.7
147.05063	2.9
149.01221	2.4
149.02968	2.5
149.04764	0.9
150.97006	0.8
150.99184	1.0
151.04526	1.6
152.07085	1.8
152.98625	0.8
153.00664	0.9
153.07393	2.1
154.07552	1.2
155.01886	8.7
155.07976	0.7
157.03481	7.5
157.04820	0.8
158.99648	5.5
159.00974	0.7
159.01384	0.7
159.03130	1.2
159.05055	1.0
161.01193	2.5
161.02953	8.0
161.96690	0.9
162.99178	1.0
163.02769	6.1
163.04404	3.4
165.00720	6.6
167.01949	0.8
168.99884	0.9
169.03505	1.7
170.99622	2.0
171.01457	0.7
171.05016	2.3
173.01978	5.9
173.03033	9.3
173.06522	0.6
174.03047	0.8
175.03021	1.1
175.04550	4.5
177.00697	9.9
177.02449	2.2
177.04155	0.8
179.02200	1.6
179.04132	0.6
181.03850	0.7
182.03842	1.2
183.01720	1.0
184.07370	1.5
185.02933	5.7
185.06598	1.1
187.00838	0.8
187.02762	2.6
187.04506	2.7
188.93065	0.6
188.99220	0.6
189.00728	3.8
189.06000	1.2
190.98770	1.2
191.02260	1.3
191.03993	1.9
191.07497	0.7
193.00169	2.2
193.03568	0.9
193.05424	0.6
195.01785	1.5
195.53273	0.6
196.54884	0.7
197.02878	0.8
198.04633	1.0
199.04451	1.5
201.02361	0.9
201.04219	0.6
203.03864	3.4
203.05679	0.8
205.03818	4.4
205.05441	1.0
207.01715	2.4
207.05377	0.9
207.08205	1.1
214.05960	2.6
214.98630	0.7
215.04010	1.4
215.07622	0.8
215.10477	0.9
216.13293	0.8
217.03761	0.7
217.05548	1.4
219.01620	4.5
219.03488	1.4
219.05414	1.3
221.05069	5.4
225.02785	1.0
227.04065	1.0
231.03555	0.8
232.99626	1.1
233.03380	1.8
234.02718	0.7
234.99063	0.8
235.01239	0.8
235.06627	9.7
237.02782	9.9
239.05600	0.8
243.03592	0.6
245.05075	2.7
247.07858	0.9
251.04364	8.1
253.07668	7.5
254.07974	0.7
255.03825	1.5
258.08292	0.7
259.06644	3.7
269.05344	3.2
275.04001	1.0
275.09799	1.4
277.02487	0.8
277.07663	6.4
289.07443	0.6
289.12970	1.0
291.05603	1.5
293.05551	1.8
293.10764	1.8
295.03445	1.3
303.05594	16.6
304.05701	0.6
307.08716	3.9
317.07306	1.7
317.13388	2.9
335.07065	100.0
335.14200	4.9
336.07874	2.3
345.06027	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73455	0.5
56.05003	0.6
56.96283	1.0
56.96556	14.4
68.96552	0.8
70.06585	2.6
71.33060	1.0
71.95261	1.1
72.08166	0.9
72.93778	0.8
79.05482	0.6
84.04509	0.6
84.08128	2.5
84.96004	1.3
85.02891	0.8
86.09706	0.8
88.11700	0.5
95.06072	0.5
97.06587	0.4
98.97572	100.0
107.04956	2.5
110.07202	0.5
116.98608	95.8
118.06557	0.6
128.98608	0.7
129.02248	0.7
129.10240	0.9
131.04848	0.5
134.99643	64.6
140.00177	2.9
144.07954	0.6
145.01740	1.0
146.05988	1.2
146.99692	0.7
147.03285	3.4
147.04381	0.9
147.06326	0.7
150.99178	0.5
152.06958	0.5
153.00681	7.2
153.42049	0.4
156.24652	0.5
158.01228	3.2
158.97472	1.4
158.99638	35.0
159.09254	0.5
161.01292	0.5
162.06851	0.5
165.02953	0.5
165.04343	2.0
171.03300	0.9
172.07571	0.6
173.01099	0.6
177.00696	67.9
184.07599	0.6
187.02731	2.5
188.07074	1.4
189.04370	3.7
189.07303	1.7
195.01755	6.4
200.02289	3.8
200.06982	0.7
201.10144	0.9
205.03807	0.7
209.03276	0.6
215.02269	2.2
216.98000	0.8
219.01743	8.9
229.09688	1.6
233.03288	14.9
234.98976	7.2
237.02771	1.9
238.75815	0.5
243.11273	1.6
245.09192	1.4
251.04356	6.7
253.00087	0.9
256.04974	0.6
258.00543	0.6
271.10822	4.6
275.04364	6.1
280.99298	0.5
287.10205	1.6
289.03690	2.0
289.11884	1.2
299.10168	1.6
315.62955	0.5
317.11127	1.4
335.11377	2.6
335.15744	0.7
353.07410	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.2
63.04659	1.7
64.43243	1.5
67.05494	6.5
69.07031	2.5
69.94983	9.1
79.05494	5.0
81.07050	8.1
82.06568	8.2
83.08614	2.6
88.70023	1.6
91.05489	4.7
92.17538	1.5
93.07045	9.4
94.06583	9.9
95.08604	7.1
105.07031	4.8
107.07346	3.4
107.08598	4.8
108.08128	7.4
109.10162	3.4
119.08555	3.6
120.08092	4.2
121.08923	1.5
121.10145	3.7
122.09664	5.4
124.11219	3.1
131.08543	1.8
133.10121	3.6
134.09634	4.9
136.11234	24.8
142.07373	1.5
144.46744	1.7
302.21567	2.9
302.24829	8.9
306.24152	2.0
318.11267	2.2
334.10913	1.9
334.14523	10.4
334.23886	5.9
334.27423	100.0
334.30905	5.5
335.14426	1.8
335.27905	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
55.05518	6.0
56.05024	2.9
56.96563	0.9
57.03430	2.2
57.07066	3.5
59.88933	0.7
60.04525	100.0
65.03890	0.9
67.05507	15.5
68.05025	1.2
69.07073	7.8
70.06576	1.2
70.63976	2.9
71.08636	1.8
72.04504	3.1
74.06075	1.7
79.05490	7.8
80.05003	1.7
81.07058	11.7
82.06571	2.4
83.08632	6.0
86.06033	1.1
91.05477	5.2
91.57365	0.8
92.05807	1.2
93.07036	5.6
94.07393	0.9
95.04992	1.8
95.08610	10.7
97.06499	1.4
97.10165	3.7
98.98460	0.9
102.05532	2.4
105.06999	4.9
106.07338	1.6
107.04964	1.1
107.08586	3.2
108.08141	1.2
108.08871	1.2
109.10147	6.3
111.11718	1.4
116.01250	1.0
116.07095	1.2
117.07063	1.6
119.08543	2.5
120.06552	1.1
120.08918	1.3
121.10123	2.9
122.10598	0.8
123.11710	2.6
133.10132	2.1
135.11713	2.0
137.13271	1.0
143.08507	0.8
147.11693	1.0
150.02072	0.8
200.01451	0.7
239.23682	1.6
242.20006	1.0
250.25301	1.7
260.21207	1.0
263.23608	1.1
280.26410	8.9
295.05191	0.8
298.27438	17.0
316.28455	36.2
317.28827	1.4
334.24536	4.9
334.29504	22.0
335.18314	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74892	0.1
55.05503	0.2
55.18158	0.1
56.96546	0.2
59.63828	0.1
66.04560	0.2
67.05504	0.3
69.07081	0.2
79.05460	0.2
81.07043	0.2
91.05491	0.3
98.91190	0.1
100.11230	0.2
105.07001	0.2
106.06561	1.2
107.04920	0.2
107.07310	0.3
117.05754	0.7
118.06534	4.4
119.07361	0.2
120.08071	0.2
130.06494	0.5
131.07298	1.3
132.08072	2.2
133.08836	0.4
134.09648	0.7
144.08052	0.7
145.08838	0.2
146.09639	2.9
148.11224	0.3
151.09921	0.4
158.09660	0.2
160.11185	2.2
160.61021	0.1
161.08459	0.2
162.09126	8.3
163.09967	0.3
170.15399	0.3
172.11166	0.4
174.09204	0.2
174.12756	0.5
176.10707	3.6
177.11481	0.8
178.39085	0.2
186.12926	0.2
188.14349	0.3
190.12250	9.8
191.12721	0.2
204.13779	1.6
205.14595	0.4
206.15462	0.3
218.15311	0.2
218.66266	0.2
226.42557	0.2
232.16925	0.3
244.20618	1.6
246.18593	0.2
254.61121	0.1
272.20062	12.0
273.20410	0.5
286.80014	0.2
290.21091	1.7
307.60785	0.2
316.22632	0.6
334.23727	100.0
335.20233	0.3
335.24063	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	334.2375
Annotation	CARBETAPENTANE
Peak:m/z	Relative Intensity
50.67305	0.2
50.71062	0.2
51.72226	0.2
55.05481	0.2
55.95156	0.2
64.58264	0.2
69.03342	0.2
70.85248	0.5
71.46934	0.2
79.05455	0.2
81.07049	0.2
91.05475	0.3
93.07052	0.2
95.62856	0.2
99.42061	0.2
106.06548	1.5
107.04921	0.3
107.07338	0.3
117.05766	0.7
118.06544	4.2
119.07300	0.2
120.08107	0.4
121.06533	0.3
130.06540	0.5
131.07310	1.9
132.08084	2.0
133.08868	0.2
134.09651	0.9
137.08334	0.2
144.08049	0.6
145.08934	0.2
146.09641	4.1
148.11301	0.2
151.09950	0.4
160.11208	2.9
162.09126	7.1
162.12727	0.3
163.09802	0.3
172.11243	0.5
174.09108	0.2
174.12779	0.9
176.10686	4.8
177.11449	0.7
190.12260	12.7
191.12616	0.3
204.13818	1.7
206.15436	0.3
218.15378	0.4
232.16879	0.4
244.20621	2.0
246.18361	0.3
272.20078	12.2
273.20428	0.5
290.21121	1.4
316.19327	0.2
316.22699	0.6
334.23740	100.0
335.24045	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	334.222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.6
56.05011	2.3
67.05233	0.5
67.05500	5.8
69.03420	3.3
69.07047	1.2
70.06585	5.5
71.04878	1.9
74.62406	0.5
79.05482	1.9
81.07046	9.7
83.08617	1.3
83.17686	0.5
84.04499	0.9
86.06059	15.7
87.04459	13.9
87.22024	0.4
91.05469	5.5
93.07031	1.4
95.08597	1.1
96.08115	1.7
98.06043	32.4
104.07112	0.5
105.06997	2.3
105.19115	0.5
107.08577	1.6
109.10117	1.2
112.07577	1.9
117.17441	0.6
123.11688	2.3
124.07575	11.0
131.08559	0.7
133.10107	6.6
147.50946	0.5
151.11154	12.4
160.29437	0.5
168.13843	8.0
186.14856	2.3
208.16943	0.7
236.16447	19.5
237.16734	1.0
272.18533	100.0
273.18927	3.7
309.84561	0.5
316.21155	23.3
317.21564	0.9
334.22244	12.4
335.22583	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07271	0.7
51.30621	0.8
53.03938	1.8
55.01861	1.5
55.05506	9.4
56.05021	1.4
56.05832	1.2
56.96563	1.0
57.03435	6.7
57.07057	1.7
57.20278	0.8
58.03756	1.0
58.06596	23.5
60.04507	2.6
65.03923	1.4
67.05502	21.0
68.05025	0.8
68.05824	2.5
69.07066	9.0
69.33943	8.3
70.06586	1.5
71.04995	6.1
72.08157	1.4
77.02280	0.8
79.05058	1.4
79.05489	20.5
80.05812	2.7
81.03404	1.7
81.07052	21.6
82.06558	1.1
82.07357	3.6
83.04961	3.1
83.08610	4.4
84.08137	9.9
85.06528	1.0
88.04000	1.4
91.05479	26.2
91.75883	0.8
92.05804	4.9
93.07040	22.6
94.07378	4.6
95.04948	4.1
95.08035	1.6
95.08598	16.1
96.08118	1.5
96.08925	3.7
97.06519	1.7
100.07616	5.5
105.07024	27.5
106.07352	3.7
107.04944	2.5
107.08594	14.2
108.08156	1.5
108.08913	2.9
109.06494	1.4
109.10143	6.8
110.06028	1.1
110.09671	0.9
110.10424	1.3
112.07600	15.2
117.06984	6.3
118.07328	1.3
119.08575	23.5
119.92979	0.9
120.08112	1.6
120.08923	4.2
121.06451	1.0
121.10145	7.5
122.10471	2.3
123.08044	1.0
124.07583	8.1
124.11208	2.4
129.05460	1.7
129.06978	1.2
130.07382	0.8
131.08574	8.6
132.08864	2.1
133.10112	15.6
134.09592	2.2
134.10484	4.0
135.11693	4.0
136.12035	2.1
138.09096	1.2
143.08565	2.1
145.10097	7.3
146.10506	2.5
147.11682	9.9
148.12006	2.9
149.09619	1.6
149.13248	1.5
150.13638	1.2
155.06953	1.4
157.10085	2.3
158.10381	1.1
159.11697	7.2
160.12074	2.1
161.13232	4.7
162.13564	2.1
171.11726	2.1
172.12001	2.0
173.13249	4.4
174.13536	1.7
175.14815	1.8
176.15277	1.3
180.13808	1.3
185.13132	1.6
186.13585	2.2
189.12753	1.1
199.14832	1.2
200.15071	1.3
208.13354	1.8
216.18300	1.1
219.74670	1.0
221.15309	1.3
239.17958	1.0
241.19583	1.6
242.19865	7.5
257.19003	2.3
260.20923	5.0
274.21588	1.2
275.20068	20.0
276.20392	1.0
278.21869	1.0
288.23151	1.3
292.22726	3.8
316.19116	0.8
316.22684	12.1
316.28439	2.0
334.23889	100.0
335.18436	2.3
335.24133	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	334.2011
Annotation	alpha-Eucaine
Peak:m/z	Relative Intensity
55.05496	1.4
56.96568	0.4
65.03934	0.5
67.05508	2.3
67.58470	0.4
69.03436	0.4
69.07050	1.1
70.06571	0.6
70.56475	1.1
75.21790	0.3
79.05471	0.6
81.03397	0.4
81.07034	1.4
83.08584	0.5
84.04479	1.0
85.01140	0.3
85.02891	0.5
87.04464	34.4
91.05463	3.0
92.04472	0.5
92.05000	6.7
93.05755	1.2
93.07004	0.7
94.06561	0.9
95.04937	0.9
95.08601	0.5
96.40303	0.3
97.02895	0.4
97.06491	0.4
98.97555	0.4
99.38322	0.4
102.03755	0.4
105.07039	0.8
106.06544	2.1
107.04935	2.5
109.02862	0.6
109.10138	0.7
117.05734	2.3
118.06536	19.2
119.07294	1.7
119.08516	0.5
120.04413	0.5
120.08080	1.4
121.02861	3.2
121.06501	1.0
122.09619	0.4
130.04982	0.6
130.06503	1.9
131.07309	0.7
132.08078	2.5
133.08791	0.4
134.09644	0.9
137.05948	0.5
144.08046	0.7
146.09627	0.7
148.04251	1.1
160.11261	0.7
164.07111	0.8
165.07268	0.4
174.03960	1.6
181.63336	0.4
202.15909	6.4
204.10359	0.4
215.13881	0.8
230.15384	57.9
231.15710	1.3
248.16451	9.5
316.24844	1.2
334.20102	100.0
335.20609	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	334.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.6
55.01881	0.5
55.05500	2.2
56.96554	0.7
57.03429	0.6
61.02918	0.8
65.03933	0.8
67.05502	2.8
69.03429	1.1
69.07068	5.0
70.06592	1.0
70.31181	2.5
72.08146	1.0
72.93784	0.6
73.02917	0.9
76.85028	0.5
79.05487	1.3
80.04998	0.5
81.03432	1.1
81.07063	2.4
82.06574	0.6
83.04979	0.9
83.08635	0.8
84.08128	0.7
85.02895	2.2
87.04463	32.5
91.05479	4.4
92.05001	4.5
93.05794	0.8
93.07040	1.1
94.06549	1.5
95.04945	0.8
95.06092	0.8
95.08591	1.0
97.02891	1.6
97.06506	1.1
98.21351	0.6
98.97568	0.7
105.06985	1.3
106.06555	1.6
107.04952	5.9
109.02834	0.5
109.10126	0.7
110.06040	0.6
110.07171	0.8
117.05714	1.3
118.06541	20.7
119.04954	0.5
119.07305	2.4
119.08568	0.6
120.08107	2.5
121.06487	3.4
130.06544	1.6
132.08063	1.7
133.08803	0.6
133.10097	1.0
134.09595	1.1
138.08994	0.6
146.09593	0.6
150.05479	2.7
158.97621	11.1
159.97806	0.6
161.05911	0.5
166.05002	1.5
174.09166	0.6
174.12819	0.5
180.10223	3.1
191.08183	0.6
193.59235	0.5
200.38892	0.6
202.15904	2.2
204.10275	1.0
218.11707	1.3
228.00838	5.3
230.15382	47.8
231.15625	0.6
236.16672	0.8
244.90468	0.5
246.11288	0.6
248.16455	20.0
275.13879	0.6
311.13040	3.1
316.24841	1.9
317.11142	0.9
334.20111	100.0
335.20297	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13054	1.4
55.31285	1.5
55.93515	1.7
56.96562	3.6
58.06598	2.1
60.04522	2.7
67.50681	1.4
69.03429	3.2
69.68788	9.2
70.06572	6.3
72.93782	3.4
79.05488	2.2
83.04980	2.4
84.08119	3.0
85.02908	6.3
85.07688	2.0
86.09708	2.1
88.86059	1.4
90.94795	3.0
91.71327	1.4
94.04168	2.4
95.04914	1.4
97.02876	4.3
98.97571	2.9
105.07021	2.4
107.04964	11.5
109.02862	1.4
116.98663	2.7
122.03626	4.9
122.06004	1.6
123.05521	2.9
124.07534	1.8
127.03877	2.0
130.06566	2.0
131.08170	3.1
133.06482	2.4
134.99699	2.0
137.05971	100.0
138.00702	1.4
138.06320	1.7
150.96986	1.9
158.97401	3.3
161.98509	1.5
163.03908	1.8
176.98480	2.9
186.96849	2.0
203.06375	1.9
216.98022	2.5
234.98978	10.0
237.02911	2.5
244.02776	1.5
253.06639	1.5
258.79675	1.5
264.39267	1.4
289.03540	3.9
292.04678	5.0
317.03305	1.6
334.13980	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	3.8
56.05029	2.3
69.07043	1.0
70.06590	14.0
70.83607	0.9
70.83936	2.1
72.08146	2.5
79.05505	1.1
79.42635	0.8
82.21386	0.9
83.08611	3.9
84.04504	26.1
84.08137	4.2
84.08958	1.8
86.09705	6.2
91.05459	4.0
107.04942	0.9
110.07150	3.2
116.07073	1.1
117.07024	1.4
118.06532	20.1
120.08088	3.7
129.06673	2.2
129.10263	1.4
130.05035	4.8
130.06514	3.3
130.41513	0.9
132.08107	6.8
141.10181	1.6
142.06517	2.8
143.07320	2.5
144.08080	14.6
146.06004	61.6
156.07666	1.0
157.13338	1.0
159.09180	11.9
169.09691	1.0
170.06000	6.3
170.07246	1.1
188.07065	100.0
189.07405	1.6
205.09714	19.1
225.10165	9.0
263.13803	1.4
271.10928	1.5
317.11227	1.7
334.14487	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	334.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
58.99573	1.3
70.06586	1.4
71.09930	1.3
76.02210	3.6
86.09724	1.3
95.04944	1.2
105.00105	2.0
107.04955	100.0
108.05280	1.9
108.58630	0.5
109.94009	0.5
122.02736	36.8
122.06033	0.5
127.34042	0.5
228.06902	6.8
254.53087	0.6
307.86270	0.7
323.59332	0.6
334.25104	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33485	0.4
55.05495	0.6
56.05027	1.2
56.96562	0.7
57.10915	0.3
69.25678	1.5
69.26104	2.5
70.06596	2.4
72.08144	0.8
75.23143	0.4
83.08602	0.4
84.04504	23.5
84.08134	0.6
85.02911	0.4
86.09702	1.6
91.05470	0.8
98.21503	0.9
102.05573	0.6
107.04962	1.5
110.07141	0.6
115.05456	1.1
116.43956	0.4
117.05743	0.5
117.07018	1.0
118.05690	0.9
118.06539	17.0
120.08067	1.0
123.03844	0.5
129.06541	0.5
130.05009	4.5
130.06482	2.5
132.08087	6.6
135.08006	0.4
142.06523	2.4
143.07314	2.1
144.04416	0.5
144.07002	0.8
144.08084	12.6
144.09221	0.6
146.06004	61.8
147.06357	0.5
153.02002	0.4
157.13347	0.6
158.06012	0.6
159.09177	13.0
160.07562	1.0
169.07581	0.7
170.06021	5.3
177.04977	2.1
177.55109	0.5
186.05415	3.3
187.08662	0.4
188.07062	100.0
189.07359	1.7
197.56230	0.6
205.09720	17.2
210.45421	0.4
225.10202	8.1
227.05847	0.7
271.10709	1.6
317.11188	2.3
334.13989	3.2
346.77554	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66700	0.6
55.01854	1.4
57.03424	1.5
60.04508	0.8
61.02911	0.6
68.47015	0.5
69.00903	0.8
69.03419	1.6
70.06602	2.7
71.04850	1.0
71.09110	0.7
71.09435	1.0
72.08147	3.3
73.02924	0.9
73.08475	0.9
84.04527	1.3
84.08128	3.3
85.02888	2.0
85.05148	1.1
86.03551	4.6
86.05936	2.0
86.09704	3.0
86.16691	0.6
94.13432	0.6
97.02869	2.2
98.03568	0.6
107.04934	1.9
108.08097	0.9
110.07161	0.8
112.06223	1.3
113.04604	9.6
113.05906	0.6
113.06980	0.7
114.03033	0.7
123.02966	0.8
123.05553	1.1
124.03787	0.6
124.07629	0.6
129.10291	0.9
133.05058	0.7
134.58939	0.7
139.02466	1.1
140.05667	2.8
141.04190	3.1
141.06451	100.0
142.04895	1.3
142.07292	4.6
144.02771	0.7
152.05675	29.7
153.04065	1.7
154.07242	2.8
156.05145	1.2
159.09181	0.9
168.05167	4.4
169.05948	49.2
170.06781	7.4
172.09749	1.4
180.05165	2.2
182.06734	0.6
182.64751	0.6
184.04587	1.3
198.06262	1.4
202.05707	25.1
209.05467	0.6
227.06467	2.3
232.06758	1.1
273.10712	5.4
301.10144	11.5
334.10211	1.8
334.14880	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	0.7
56.05025	1.0
56.96555	1.5
63.09026	0.7
67.05508	0.9
69.90163	3.0
69.90573	1.5
70.06596	4.2
71.04984	1.6
72.08152	1.6
77.56989	0.7
82.06581	0.8
84.04501	6.9
84.08118	2.7
85.01128	4.5
85.02900	2.3
86.09704	0.9
95.04952	2.1
95.06084	2.3
95.08586	0.8
98.21632	0.8
102.03780	4.6
102.05548	2.6
107.04955	10.2
116.01735	1.0
116.98643	1.2
118.06555	2.2
120.08044	1.1
127.07570	1.5
130.05020	1.5
132.08115	1.1
144.08066	1.0
146.06030	6.4
147.04460	1.5
155.07098	1.1
156.06564	1.0
159.09236	2.0
172.03700	1.9
172.07578	2.0
172.09781	0.9
188.03751	0.8
188.07071	11.8
205.06375	1.9
205.09763	2.3
210.11017	0.9
211.14217	0.9
225.10417	1.2
226.08661	0.9
227.08267	1.1
228.17085	3.1
234.98907	1.2
243.11380	1.3
253.09964	1.1
257.09015	0.9
271.10858	2.4
283.76624	0.8
286.09552	1.1
289.11844	2.9
309.74637	0.8
317.11285	5.0
334.08960	100.0
334.21066	2.1
335.09128	2.5
335.12689	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37354	0.4
56.96550	2.9
57.03436	0.4
64.62458	0.4
69.57026	2.8
69.57439	1.0
70.06587	1.7
72.08152	1.2
81.07049	1.0
84.04507	2.1
84.08131	1.2
84.96030	1.2
85.01118	0.9
85.02898	1.8
86.09713	0.6
90.06026	0.5
95.04961	0.5
95.06075	1.2
97.02876	0.8
98.97578	5.2
102.05531	0.8
105.07011	1.1
107.04952	5.1
109.06531	1.1
116.98607	4.9
118.06547	0.5
118.26983	0.4
119.01933	0.6
120.08122	0.6
126.09138	1.6
127.03905	0.6
128.98631	1.3
130.04953	0.7
131.01938	0.5
133.06480	3.2
134.99646	3.9
136.07573	0.5
137.05959	0.6
144.08000	0.5
146.05992	2.2
146.99626	1.9
152.98688	0.5
153.00670	0.6
154.08612	2.4
155.07011	1.4
158.97444	0.5
158.99622	1.2
159.09148	0.6
161.01219	1.7
161.02475	0.5
163.70387	0.4
165.00603	0.5
170.99648	1.3
172.03693	1.8
172.09685	3.4
177.00685	2.3
185.04253	0.8
188.07095	2.8
189.00735	0.9
205.06447	0.5
205.09616	0.8
219.01817	1.6
225.10255	0.6
228.17038	1.4
231.02968	0.4
234.98943	1.3
237.02776	4.6
241.02087	0.5
255.03786	0.7
289.03961	0.6
293.09067	7.9
311.10123	2.0
316.10318	0.5
334.08945	100.0
335.09698	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	333.2635
Annotation	9,10,18-Trihydroxystearate
Peak:m/z	Relative Intensity
53.22403	2.0
55.01875	2.5
55.05502	10.1
56.05032	2.7
56.96559	3.1
57.03437	14.9
57.07050	2.1
58.06610	2.2
67.05502	15.8
69.07076	7.1
70.06565	2.0
70.61774	4.3
70.62167	4.3
72.08136	4.2
79.05502	23.6
81.03410	2.2
81.07056	25.1
83.08628	4.8
85.06525	2.4
85.10174	2.4
88.07653	9.2
91.05480	25.0
93.07036	28.0
95.08607	17.6
97.10184	2.5
98.98473	22.2
103.03947	3.5
105.07032	31.5
107.08595	18.0
109.10152	5.5
117.07026	8.8
119.08584	21.7
121.10149	12.1
123.11765	2.3
129.05515	3.9
129.07039	3.7
131.08574	8.4
132.10219	3.7
133.10155	15.8
135.11729	7.3
143.08620	4.1
145.10114	12.4
147.11681	8.2
149.13312	6.8
157.10117	4.0
159.10490	2.0
159.11659	9.4
161.13292	8.6
163.14948	2.6
171.11693	6.8
173.13303	5.8
175.14897	4.5
176.99089	3.2
185.13274	4.9
187.14801	2.4
208.30524	2.0
212.15578	2.2
215.18019	3.5
217.19456	3.0
229.35159	2.3
241.19455	16.4
242.24789	8.8
259.20557	10.5
286.27292	3.9
293.10681	3.1
296.12610	2.2
307.15778	3.1
315.19366	21.7
315.22769	3.5
315.30997	2.0
333.20337	100.0
333.24255	32.5
334.20645	4.3
334.29483	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	333.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.7
53.03949	6.7
55.01858	3.4
55.05511	35.6
57.03436	39.1
57.07062	3.0
64.48064	0.8
65.03931	4.1
65.87562	0.8
67.05505	69.0
69.03422	1.0
69.07070	31.2
70.72734	2.7
71.04981	3.8
73.02918	1.0
75.79047	0.8
77.03915	1.8
79.05493	100.0
80.05834	0.9
81.03410	1.2
81.07056	66.9
82.07393	1.1
82.71299	0.9
83.04973	3.7
83.08620	10.5
85.06528	3.2
91.05482	94.5
92.05804	2.0
93.07044	94.8
94.07341	1.1
95.04974	13.9
95.08604	45.4
97.06518	3.5
97.10162	3.8
98.98463	3.3
99.08098	1.7
103.05482	3.8
105.04528	2.4
105.07034	80.8
107.04952	1.0
107.08591	40.4
109.06545	4.6
109.10161	14.9
111.08077	2.6
115.05452	2.4
116.06226	1.4
117.07027	22.9
119.06038	1.1
119.08585	51.5
120.08812	0.8
121.06532	1.3
121.10140	26.8
123.08057	2.7
123.11721	3.0
125.09633	1.4
128.06267	1.7
129.05481	4.4
129.06993	9.8
130.07745	1.1
131.08566	24.0
133.09116	2.2
133.10129	35.1
133.60629	0.9
135.08067	1.7
135.11693	21.2
137.09666	1.6
141.06905	1.0
142.07762	1.0
143.08578	7.8
144.09280	1.1
145.10133	14.0
147.10507	1.2
147.11679	21.3
149.09612	1.8
149.13251	7.4
157.10109	7.5
159.11700	11.9
161.13272	11.6
163.11137	2.1
163.14850	1.8
169.10184	1.5
171.11742	9.3
173.13290	6.6
175.11272	1.3
175.14862	4.3
185.13203	5.3
187.14822	2.5
189.12689	1.4
189.16415	1.0
199.14833	2.7
201.16510	0.9
203.14348	0.9
212.75578	0.9
231.21030	1.5
238.48141	0.9
241.19510	5.9
251.28780	0.9
259.20554	8.3
271.30200	1.1
275.19894	0.9
277.21597	2.0
303.22879	1.0
315.23196	3.2
333.24240	62.1
334.24506	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	333.2421
Annotation	Dendrinolide
Peak:m/z	Relative Intensity
51.02376	1.5
53.03924	4.4
55.01866	6.1
55.05508	22.0
56.96543	2.8
57.03436	28.2
57.07071	5.6
59.04969	1.4
62.24719	1.1
65.03910	2.1
67.05499	49.6
69.03403	1.5
69.06728	1.3
69.07061	21.9
70.04053	4.4
71.04966	4.2
71.08591	1.5
71.59985	1.1
71.60374	1.8
73.02895	2.9
79.05488	61.2
80.05807	1.7
81.03422	6.1
81.07050	52.7
82.07356	1.4
83.04950	4.2
83.08607	9.8
85.02895	1.5
85.06501	2.4
91.05472	66.1
93.07037	67.3
94.07354	3.0
95.04976	11.7
95.08599	38.0
97.06523	8.4
97.10117	2.5
98.98476	2.1
99.04430	1.8
99.08099	2.0
103.03941	1.4
103.05444	2.9
105.04542	1.4
105.07021	74.7
106.07333	1.8
107.04934	5.0
107.08583	39.6
108.08905	1.3
109.06485	6.9
109.10153	15.1
111.04475	1.4
111.08059	1.4
115.05412	1.6
116.98580	1.3
117.07018	19.2
119.08568	52.3
120.49940	1.2
120.88065	1.1
121.02836	3.8
121.06464	2.6
121.09312	1.7
121.10130	26.9
123.04465	7.2
123.05181	1.3
123.08039	1.8
123.11684	3.7
125.09584	1.9
128.06206	1.5
129.05487	12.5
129.06993	9.7
131.08560	25.5
133.06473	2.6
133.10120	38.7
135.08076	2.5
135.11679	21.1
137.05727	1.5
137.09579	3.5
137.13191	1.1
141.06952	1.7
142.07729	2.7
143.08530	10.9
145.10104	21.6
147.08044	1.9
147.10625	2.2
147.11679	25.9
149.09630	2.8
149.13258	9.7
155.07008	3.3
155.08530	3.0
157.10133	9.2
159.11671	19.0
161.09554	1.9
161.13217	15.8
163.11166	1.9
163.14786	4.6
169.08553	1.6
169.10112	2.3
171.11656	14.3
173.13242	14.6
175.11198	2.4
175.14847	7.3
177.12636	1.5
177.16261	1.7
183.11708	2.2
185.13248	9.8
187.14844	2.9
189.12732	2.2
189.16365	2.2
191.14189	1.4
193.12280	1.7
197.11734	1.7
199.14758	5.0
202.16975	1.4
202.59009	1.6
211.13177	1.4
215.17883	4.4
217.15907	1.6
217.19519	3.9
219.13724	1.3
227.57166	1.2
231.21033	2.9
235.12921	4.8
241.17210	2.1
241.19492	28.1
243.21078	3.3
259.20560	20.2
275.19904	1.7
277.21585	2.2
315.15930	2.3
315.19330	3.6
315.23151	4.2
333.16629	3.1
333.20398	13.2
333.24167	100.0
334.14120	2.8
334.24420	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	333.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	1.3
53.03929	4.6
55.01872	6.8
55.05263	1.2
55.05505	21.8
56.96552	6.4
57.03434	27.1
57.06824	1.0
57.07074	16.2
58.07406	5.3
58.07650	1.1
65.03940	5.2
67.05499	100.0
69.03410	1.3
69.07063	46.9
69.42007	1.1
69.93709	5.6
70.04073	23.6
70.07380	14.3
70.07804	3.8
71.04961	1.8
71.08168	2.0
73.02901	3.1
77.03893	1.2
79.05486	59.5
81.03381	1.8
81.07049	70.1
83.04871	4.8
83.08597	5.5
84.05122	1.2
85.06531	1.3
85.83636	1.0
91.05476	37.9
93.07034	60.4
95.04955	9.7
95.08601	47.5
97.06508	2.4
97.10160	1.4
98.20773	1.2
98.98466	1.8
100.96992	1.0
103.03928	2.5
103.05477	1.4
105.07025	20.8
107.04932	2.3
107.08587	27.7
109.02717	1.1
109.06484	3.7
109.09445	1.7
109.10148	19.9
110.03511	2.1
115.05476	1.2
115.07558	8.4
116.06249	1.5
116.07893	5.8
117.06995	4.2
119.07782	1.4
119.08571	17.2
121.06496	2.4
121.07542	0.8
121.10124	18.3
123.08036	1.2
123.11695	5.6
128.06161	1.4
129.05469	21.6
129.06999	3.0
131.08545	7.6
133.06395	1.2
133.10133	14.9
135.08043	1.5
135.11676	13.4
136.08585	0.9
136.95461	9.0
137.13158	1.8
137.95776	4.1
138.02977	2.2
138.99435	2.7
141.01030	1.6
141.06920	1.1
143.08525	2.8
145.10138	5.9
146.99632	2.2
147.08040	1.0
147.11687	8.8
149.09608	1.3
149.13242	4.5
150.96956	1.3
151.03172	2.1
151.11185	1.2
156.09363	2.9
157.10091	3.1
159.11674	3.8
161.09447	1.3
161.13226	4.5
164.94946	14.9
165.00980	2.2
165.95319	11.0
167.10451	1.9
168.10872	2.1
171.08040	5.3
171.11690	3.3
173.13219	3.2
175.14729	1.9
178.96513	5.2
179.02507	3.1
179.96840	4.3
184.08716	1.3
185.13229	1.3
186.10326	3.7
187.14861	1.1
189.04305	1.1
192.98145	1.3
193.98462	1.8
199.14711	1.2
217.19498	3.1
219.05635	2.7
220.02615	1.5
231.08540	1.0
235.02728	13.2
236.03111	36.8
241.19479	3.5
259.20496	2.0
262.03833	1.6
303.13519	1.0
315.16180	6.2
333.05878	19.0
333.17679	8.9
333.20880	2.9
333.24191	56.8
334.09506	45.5
351.18439	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2419
Annotation	Dendrinolide
Peak:m/z	Relative Intensity
53.03928	3.5
55.01864	4.6
55.05261	0.7
55.05507	13.6
56.96562	0.8
57.03432	28.3
57.07072	3.6
58.06575	3.2
59.04991	0.9
65.03929	3.0
67.05497	47.3
68.05862	0.7
69.06722	0.9
69.07060	13.6
69.82270	2.5
69.82688	1.8
71.04969	3.1
72.08138	1.2
73.02908	1.6
79.05484	51.2
81.03402	3.6
81.07048	49.2
82.07358	0.9
83.04954	2.2
83.08614	6.0
84.08138	1.3
85.06524	1.6
88.03979	4.5
88.07607	2.5
91.05471	46.7
93.07034	61.8
94.07370	1.4
95.04970	6.4
95.08595	38.3
97.06503	7.0
97.10142	2.7
98.97542	0.7
98.98457	1.1
99.04446	0.7
99.08075	1.7
102.01399	0.6
103.03942	3.8
103.05445	1.6
105.07018	59.5
106.07310	0.9
107.04936	1.8
107.08587	37.4
108.08894	0.7
109.06491	2.3
109.10148	15.9
111.08057	2.1
112.07597	1.8
113.09653	0.7
115.05428	1.0
116.06201	0.7
117.07007	13.5
119.08567	43.7
120.08886	1.4
121.06491	2.1
121.10127	28.1
123.08019	2.1
123.11690	4.0
124.07507	0.7
128.06186	1.7
129.05467	10.6
129.06960	8.7
130.07832	0.9
131.08556	22.5
133.06474	0.8
133.10117	34.7
134.10458	1.3
135.08017	1.7
135.10669	1.4
135.11685	25.2
137.09590	1.8
137.13214	1.0
139.11156	0.8
141.06941	0.9
142.07755	1.1
143.08562	7.5
145.10110	22.1
147.07994	1.6
147.10481	1.6
147.11671	25.6
149.09637	3.5
149.13237	15.2
151.11191	1.0
155.06985	5.8
156.09319	0.7
157.10123	7.8
159.10298	0.9
159.11667	18.6
159.13004	0.9
161.09581	1.3
161.13246	22.7
163.11140	0.9
163.14806	6.0
164.15182	0.7
165.12541	0.6
169.08644	0.7
169.10046	1.1
171.11646	11.5
173.13255	15.4
175.07512	1.0
175.11192	1.7
175.14799	10.7
177.12694	2.2
177.16438	1.3
180.13766	1.0
183.10176	0.8
183.11710	1.0
185.13240	11.1
187.14813	3.3
189.12708	1.6
191.14281	1.0
195.13721	0.7
199.14803	6.9
201.16170	0.7
203.14186	0.9
208.13309	2.1
213.16356	2.7
215.17931	6.4
217.15787	0.8
217.19446	6.0
221.15327	1.0
226.14381	1.2
231.21054	2.3
241.19481	38.9
242.24809	1.2
243.21091	4.3
257.18948	0.8
259.20551	21.0
275.19962	4.7
277.21616	4.9
289.21634	1.2
297.21964	1.0
301.11798	0.8
303.23111	1.2
305.20923	1.0
315.15866	1.7
315.19174	2.2
315.23117	3.5
316.19257	0.7
316.22678	3.0
333.20255	37.8
333.24185	100.0
333.30899	2.9
334.20465	1.8
334.23834	19.6
334.29480	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	333.203
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98360	0.6
57.07075	0.9
69.07061	1.2
70.58778	1.0
70.59159	1.6
73.89030	0.5
74.06333	0.7
75.47346	0.5
77.00906	0.7
79.05486	1.0
81.07077	0.7
91.05457	0.8
93.07034	1.0
95.08586	0.6
219.10748	0.6
221.11412	0.7
235.13074	1.2
251.12521	1.5
269.12430	1.2
333.20346	100.0
334.20697	1.8
351.20468	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96951	1.1
55.05518	2.0
56.96571	2.3
57.03437	3.7
67.05507	5.0
69.07066	2.4
69.80408	8.4
77.00932	1.5
79.05488	4.4
81.07058	5.2
83.04955	1.4
83.08649	1.6
91.05491	6.4
93.07071	4.7
95.01931	1.3
95.08620	2.2
98.20780	1.3
98.98451	6.3
105.07035	7.3
107.08613	3.4
117.07034	1.4
119.08587	5.5
119.58714	1.3
121.10123	1.6
130.65256	1.3
131.08572	1.4
133.10132	4.8
143.08578	2.0
147.11700	2.4
161.13263	2.0
171.11678	1.6
185.08041	1.4
201.09792	1.4
222.32222	1.5
241.19579	2.9
247.13142	4.6
257.12399	1.9
263.85065	1.4
294.93152	1.2
315.19376	9.5
333.20410	100.0
333.24188	6.3
334.20560	2.3
351.20078	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37279	0.5
70.12064	2.4
87.71445	0.5
117.23492	0.5
163.30162	0.5
221.11589	0.7
236.03043	0.6
251.12570	0.8
269.12268	0.6
302.99161	0.7
333.20340	100.0
334.20770	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	333.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.4
57.03426	2.6
67.05506	5.1
69.07057	1.4
69.74441	0.7
71.24031	1.6
77.00887	0.9
79.05479	5.4
81.07046	5.5
83.08625	1.0
91.05484	5.4
93.07040	6.9
95.04961	0.7
95.08617	3.8
97.06542	1.0
105.07034	5.9
107.08575	3.8
109.10145	1.5
109.95050	0.8
117.07016	1.5
119.08578	4.5
119.16373	0.7
121.10150	3.1
129.07053	0.8
131.08597	1.9
133.10132	4.1
135.11705	2.9
143.08559	1.1
145.10165	2.7
147.10597	0.7
147.11702	2.7
149.13260	1.2
151.64851	0.7
157.10117	1.2
159.11685	1.6
161.13274	2.7
175.14819	1.0
185.13280	1.7
213.16382	0.9
213.91116	0.8
215.17989	0.9
241.19534	4.6
243.21091	1.0
246.12584	0.8
259.20630	2.2
266.95853	0.7
315.19269	4.5
315.22812	1.4
331.62570	0.9
333.20398	100.0
333.24222	10.5
334.20657	1.6
351.20239	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	333.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12626	0.5
53.27469	0.5
55.05492	0.9
56.96567	0.8
57.03141	0.5
57.03431	1.9
61.78007	0.5
65.80985	0.6
66.11247	0.4
67.05493	3.6
69.07058	1.4
70.15686	1.2
70.16078	1.2
72.89676	0.6
75.40781	0.5
77.00913	1.1
77.86407	0.6
79.05490	4.1
81.07053	3.6
83.08590	0.7
91.05481	4.2
93.07043	3.2
95.01904	0.6
95.05009	0.8
95.08596	2.7
97.06520	1.5
98.98465	2.3
103.05460	0.7
105.07029	5.2
107.08585	1.6
109.10166	1.1
117.07059	1.4
119.08594	2.7
121.10126	1.6
125.12984	0.5
131.08566	1.8
133.10103	3.6
135.11681	1.8
145.10135	1.6
147.11690	1.6
149.05850	0.7
159.11705	1.5
161.13275	0.8
171.11659	1.0
173.13306	1.0
185.13367	0.8
187.08154	0.7
187.47879	0.6
201.09644	0.8
241.19534	1.7
259.20596	0.7
261.14621	1.3
333.20361	100.0
333.23999	5.1
334.20602	3.8
345.47107	0.6
351.19418	0.8
354.30789	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30265	0.6
55.05498	2.4
56.96555	1.9
57.03441	2.9
57.07061	0.6
59.32009	0.7
67.05499	5.7
69.07055	2.1
70.04068	2.7
71.08607	0.6
71.59253	0.9
71.59647	0.8
72.42318	0.6
79.05488	6.6
81.07059	4.9
83.08611	1.5
91.05482	7.2
93.07042	7.3
95.04981	0.8
95.08596	3.7
97.06539	0.9
105.07020	7.8
107.08599	3.7
109.10151	1.2
117.07018	2.1
119.08571	6.2
121.06506	1.3
121.10145	1.5
129.05461	0.9
129.07051	0.8
131.08565	3.3
133.10129	5.2
135.11694	3.1
143.08572	0.7
145.10129	2.5
146.99554	0.8
147.11690	2.7
149.13315	0.8
149.94696	0.6
159.11720	1.3
161.13228	1.4
171.11620	1.1
173.13264	1.0
185.06613	0.7
185.13289	1.0
241.19531	2.6
243.14476	1.7
259.20462	2.9
263.12634	0.8
312.24954	0.7
315.16348	0.9
315.23184	0.9
333.20383	100.0
333.24136	8.3
334.20627	3.1
351.20050	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.9
56.96560	43.1
57.03414	2.2
59.82206	0.5
65.03939	0.5
67.05499	7.4
69.07052	2.0
69.61073	3.4
71.95255	6.2
72.96005	1.2
74.97597	2.5
79.05488	3.7
81.07051	6.0
83.08611	0.7
84.96031	3.1
91.05479	5.7
92.98647	0.9
93.07047	5.2
95.04968	1.1
95.08591	3.7
97.06529	0.5
97.96787	2.0
98.97552	1.2
98.98470	0.6
105.07024	5.8
107.04947	1.2
107.08581	3.4
109.06532	0.6
109.10121	1.6
110.97558	6.9
115.19898	0.6
115.97823	2.1
116.98529	3.8
117.07004	1.3
119.08582	4.5
121.10104	2.1
123.01173	1.8
128.98582	18.7
129.05464	1.2
129.06993	1.3
131.00029	8.0
131.08513	2.0
133.10097	4.5
133.98825	1.6
134.99541	1.6
135.11658	1.5
137.02725	1.9
140.98438	10.6
141.02211	1.9
143.00043	4.7
145.01608	0.8
145.06487	1.0
145.10103	1.4
146.99632	26.7
147.11646	2.0
148.98972	0.8
149.01109	2.0
149.13248	1.0
151.00594	1.0
152.00183	1.3
152.98473	0.6
153.02104	0.8
153.99231	3.2
154.99991	4.1
155.03792	2.0
157.01622	3.1
158.99448	1.3
159.11647	1.6
161.01160	6.7
161.04890	1.3
161.13234	1.2
163.00482	1.2
164.99559	0.9
165.00729	7.3
166.01578	0.6
167.00017	6.1
167.02325	0.6
167.03760	0.7
169.00240	0.7
169.01544	4.0
169.05373	1.0
170.01222	2.0
170.99506	1.6
171.03232	1.5
173.01091	0.6
173.04808	0.7
173.13208	0.8
174.99008	6.6
175.02748	2.0
177.02049	2.3
178.99994	1.4
179.02240	1.9
179.03741	0.6
179.05846	0.8
181.01573	2.6
181.05330	1.0
183.03203	1.5
183.06892	0.6
185.01085	3.4
185.04868	1.4
185.13226	0.8
186.99030	1.0
187.02745	1.3
189.00534	8.8
189.02118	0.8
189.04298	4.6
190.99983	1.2
191.03647	1.6
192.03181	0.6
193.01526	0.8
193.03783	0.7
193.05316	1.0
195.03152	1.5
197.01134	0.7
197.04843	0.7
198.00552	1.0
198.07567	0.6
199.02591	2.5
199.06259	0.7
199.14886	0.7
201.00569	1.7
201.04225	0.8
201.17490	0.6
203.02052	4.5
203.03867	1.0
203.05858	3.1
205.01511	0.8
205.05235	1.3
207.03293	1.2
209.01074	2.7
209.04761	1.6
211.02695	1.3
212.02173	1.1
213.00536	1.3
213.04111	0.7
215.02106	2.3
217.05362	1.1
217.07310	1.2
219.06848	1.1
221.04823	1.1
221.06747	0.7
223.02591	1.5
223.06441	0.7
225.07895	1.3
227.02147	0.7
227.05925	0.8
231.06845	0.8
233.04642	0.6
233.08272	0.9
235.02617	1.1
235.06322	0.8
237.04120	1.0
237.10069	0.6
239.05647	0.7
239.09473	1.0
241.11125	1.7
241.19498	1.4
245.08501	1.1
245.10567	1.1
249.04294	0.9
251.05711	1.0
252.10248	1.8
259.12155	2.2
259.20566	0.9
263.05807	1.1
263.09503	7.4
264.10190	1.1
265.07190	0.9
265.10995	0.7
270.11221	1.2
277.07434	0.8
277.11053	1.5
281.10507	2.2
282.11273	1.2
291.12930	0.8
303.12549	2.7
313.14780	1.5
315.16266	45.3
316.16669	2.0
321.13663	0.7
331.12213	2.7
331.15808	3.4
333.13736	8.7
333.17300	100.0
333.24060	8.5
334.17654	3.9
349.17087	0.6
351.18369	31.8
352.18802	0.9
356.18930	15.6
357.19138	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00312	0.6
51.72556	0.5
55.80869	0.5
56.96561	35.7
57.03423	1.2
67.05489	4.3
67.18401	0.5
69.07043	1.4
71.95256	4.8
72.96020	1.2
74.97598	2.1
79.05490	3.0
80.83791	0.7
81.07040	3.8
81.99568	0.6
84.96004	2.3
91.05465	2.8
92.98635	0.9
93.07011	3.5
94.21827	0.5
95.08598	1.8
97.96784	2.7
98.20716	1.7
98.97574	1.0
105.00148	1.0
105.07021	2.3
107.08593	2.2
109.10127	0.7
110.97558	6.4
115.97835	2.0
116.98518	1.6
117.07018	1.0
119.08554	1.7
121.10109	1.2
123.01200	1.2
128.98592	17.4
129.05484	0.8
131.00027	2.7
132.31836	0.7
133.10106	1.4
133.98863	1.5
134.99602	1.1
137.02724	1.5
140.98434	4.0
141.02240	0.7
143.00058	2.3
145.10106	1.0
146.99632	18.4
147.11694	1.0
149.01080	0.8
152.00114	1.0
153.99138	0.8
155.00008	1.4
155.03793	1.2
156.68527	0.6
157.01587	0.6
159.11650	1.1
161.01195	4.8
161.13287	0.6
165.00700	3.4
167.00026	1.7
167.03769	0.6
169.01653	2.0
169.05464	0.8
170.01242	1.3
170.99483	1.0
171.03281	0.9
174.98965	2.8
175.02779	1.8
179.02281	1.1
181.01530	1.0
181.05316	0.9
183.03290	0.9
185.01114	1.4
187.02777	0.9
189.00591	3.4
189.04355	3.7
199.06410	1.2
201.00537	1.3
201.04248	0.6
203.02156	1.7
203.05890	2.0
205.05440	1.0
205.07455	1.0
217.05299	0.6
221.08563	0.6
225.07912	1.1
227.09521	1.5
230.02580	0.8
231.06868	0.7
231.08926	0.6
235.02634	0.7
236.03307	0.9
241.11131	0.9
243.08945	0.8
245.08398	0.9
245.10646	1.8
253.07248	0.6
259.12088	1.8
259.20654	1.0
263.09543	4.7
264.10168	0.8
265.11261	0.9
277.07489	0.7
277.11087	1.7
281.10541	1.3
282.11456	1.1
283.12195	0.7
291.12698	0.6
295.12097	0.8
303.12637	2.4
313.14502	1.0
315.16269	51.5
316.16681	2.3
317.07669	0.7
321.13562	1.2
331.12311	1.1
331.15799	3.6
333.17325	100.0
333.24091	3.5
334.17673	4.0
351.18393	21.5
352.18750	1.1
356.18903	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	333.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	0.6
56.96547	0.7
60.04510	2.2
61.93373	0.5
69.03426	0.8
69.85310	3.1
70.06586	2.1
72.08135	1.9
74.45679	0.6
81.03389	0.6
84.04497	1.7
84.08148	3.9
85.02890	1.1
86.09708	6.3
87.25752	0.6
96.48138	0.5
97.02923	0.6
98.98463	5.6
102.05546	0.9
105.28381	0.6
107.04942	1.0
115.05048	0.8
120.08140	0.7
123.05540	1.5
129.10252	1.3
136.06128	1.7
143.55113	0.6
153.05235	0.8
161.02901	0.9
171.06287	15.3
171.31837	0.6
173.12859	1.4
185.04207	2.3
187.08554	0.7
188.92424	1.1
203.05266	2.5
203.07597	0.7
213.20648	0.7
219.15662	0.6
230.93416	0.7
261.05801	1.3
315.10565	2.1
333.11542	100.0
334.11862	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93160	0.6
55.01859	0.6
55.05508	1.0
56.96558	1.3
57.03412	1.1
57.67152	0.6
65.03960	0.6
67.05492	1.4
70.06595	0.8
70.94957	1.6
79.05488	1.1
81.07047	1.4
87.68968	0.6
91.05479	14.3
93.07062	1.2
95.08596	1.0
97.62672	0.6
98.98465	4.4
103.05491	0.6
105.07030	1.4
107.04940	2.6
107.08562	1.2
119.04943	28.3
119.08603	0.9
120.05262	1.0
121.10139	1.0
131.08643	0.7
147.04410	100.0
148.04749	2.9
152.61823	0.7
172.95233	1.6
179.11899	0.6
190.96231	1.0
195.95386	0.6
233.33089	0.6
267.91370	0.6
327.67886	0.6
333.20779	0.7
334.29288	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1154
Annotation	Tos-Arg-CH2Cl
Peak:m/z	Relative Intensity
51.63786	1.1
59.20116	0.9
69.62570	6.3
70.06596	2.1
71.54615	1.0
84.08146	2.0
84.28181	0.9
85.02907	1.7
86.09702	2.9
89.42703	0.9
98.21459	2.0
98.98467	3.7
107.04984	1.1
112.11278	1.1
112.62417	0.8
127.86583	0.8
129.10220	1.0
171.06277	4.5
173.12834	1.2
185.04202	1.8
195.84964	1.0
203.07478	0.8
213.20665	1.0
220.29738	0.9
229.00250	1.1
282.80685	0.9
333.11575	100.0
334.11966	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
55.05508	3.7
56.05019	2.5
56.96548	1.0
57.03429	0.8
60.41419	0.8
61.02894	0.7
64.93942	0.5
67.05492	4.3
69.03416	0.8
69.07075	3.0
70.06594	6.8
71.04980	2.3
71.08625	8.5
72.08146	2.5
79.05452	3.1
80.04996	0.9
81.03390	1.6
81.07045	6.5
82.06577	1.6
83.08606	1.2
84.04502	8.0
84.08147	3.3
85.02885	1.4
85.06592	0.8
86.06073	1.7
86.09713	3.4
86.62819	0.7
87.04448	1.9
88.03980	1.0
88.11266	6.5
91.05476	3.4
93.07051	4.3
93.07516	0.7
95.04951	1.6
95.06078	1.3
95.08588	4.1
96.08105	1.6
97.02901	0.9
97.06512	0.7
97.10146	1.0
97.54657	0.7
98.06051	3.6
98.09675	1.2
98.83740	0.6
98.98433	1.7
102.05542	10.8
103.05447	0.6
105.07022	2.0
107.04966	3.1
107.08580	1.9
108.08109	1.3
109.06492	0.7
109.10161	1.3
111.04472	0.9
119.08583	0.9
121.06493	0.7
121.10135	3.5
123.04520	0.7
123.08080	1.2
124.07590	0.7
126.12819	0.9
130.08662	1.1
131.08543	1.4
133.10123	0.8
135.11693	1.4
137.05948	4.5
138.12747	2.7
140.10724	2.3
145.10094	1.6
149.09653	1.7
158.11765	10.4
163.11230	1.2
166.12297	4.5
167.07098	3.2
173.12851	1.1
176.14340	2.3
180.13760	1.7
182.15375	3.6
184.13351	4.6
193.12173	0.8
194.15344	1.5
198.14897	5.5
202.14420	1.1
208.13400	0.7
208.20377	0.9
211.97176	0.7
226.14305	1.2
236.20097	1.9
240.15826	1.3
252.23282	4.3
254.21140	40.2
255.21413	1.3
260.20032	0.8
268.22610	1.3
270.24265	2.8
272.22192	44.6
273.22589	1.2
278.21133	2.6
288.09937	2.1
288.17978	0.9
288.20950	1.2
289.14343	1.8
296.22156	7.1
314.12183	2.3
314.19894	1.1
314.23257	8.2
332.24301	100.0
333.21432	3.6
333.24942	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	332.2429
Annotation	3-hydroxydecanoylcarnitine
Peak:m/z	Relative Intensity
55.01852	1.0
55.05503	2.1
56.05033	1.7
56.96546	0.5
58.06601	0.7
59.56953	0.5
67.05497	4.2
69.03437	0.9
69.07053	1.7
69.98860	1.0
69.99266	1.6
70.02956	0.6
70.06246	0.5
70.06587	5.8
71.04973	1.9
71.08628	7.6
72.08147	1.1
72.76145	0.4
79.05482	3.7
80.05002	0.9
81.03399	1.3
81.07047	6.6
82.06572	1.3
83.08604	1.3
84.04498	8.0
84.08141	3.0
85.02892	0.6
85.06534	0.6
86.06078	0.9
86.09702	2.2
87.04446	0.8
88.03957	0.7
88.11263	7.1
91.05476	2.8
93.07045	4.4
95.04940	0.8
95.08603	3.6
96.04477	0.7
96.08108	0.8
97.06500	1.2
97.10175	0.7
98.06048	1.3
98.09681	1.3
98.21538	0.5
98.97590	0.9
98.98463	1.2
99.08028	0.5
102.04932	0.7
102.05538	9.0
105.07020	1.3
107.04958	3.1
107.08585	1.8
108.05304	0.7
108.08122	1.0
109.06490	0.5
109.10110	1.3
110.05947	0.6
111.04439	0.6
111.08101	0.5
119.08573	1.3
120.08137	0.7
121.06519	1.0
121.10127	3.1
122.03646	0.6
123.04372	0.7
123.11681	0.5
125.09609	0.5
126.12789	1.3
131.08563	1.7
133.10139	1.3
135.11740	0.6
137.05949	5.8
138.12773	3.5
140.10699	1.0
140.14302	0.6
145.10056	0.9
147.11720	0.6
148.11224	0.8
149.09616	1.7
152.14307	0.7
158.11755	6.9
163.11122	0.7
166.12273	3.7
167.07051	5.3
171.75685	0.5
173.09572	0.6
173.12852	0.9
180.13861	1.5
182.15376	4.9
184.13303	4.9
193.12175	0.6
194.15364	1.4
198.14871	5.7
200.16489	0.8
202.14366	1.0
208.13242	0.8
211.07454	0.7
212.16377	0.6
216.15903	0.5
226.14317	1.3
236.20137	1.3
240.15967	1.0
252.23218	4.2
254.21135	37.5
255.21510	0.9
260.20081	1.1
268.22745	0.7
270.24210	3.7
271.09647	0.6
272.11023	0.7
272.22189	43.0
273.02914	0.5
273.22491	1.6
278.21072	3.5
286.12299	0.6
287.13843	0.7
288.10028	3.8
289.14218	2.3
296.22180	8.1
303.12521	0.5
314.12076	1.7
314.19833	0.7
314.23233	10.0
315.13034	0.5
332.24289	100.0
333.14548	0.8
333.21313	0.5
333.24734	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	332.2178
Annotation	Ser Leu Leu
Peak:m/z	Relative Intensity
55.01871	1.0
55.05508	1.4
56.05038	1.2
56.96555	1.0
60.04524	21.8
60.08153	1.3
62.06086	0.9
67.05495	2.0
68.05001	0.8
68.92056	0.8
69.03426	1.5
69.07074	1.7
70.02961	1.3
70.06594	8.8
70.47289	1.9
70.47685	1.5
72.08151	3.0
76.02202	0.9
78.92970	0.9
79.05481	2.2
81.03428	2.3
81.07065	1.7
83.08633	1.1
84.04504	2.3
84.08151	5.9
85.02892	2.2
86.06061	1.0
86.09705	99.3
87.05589	16.3
87.10007	0.8
91.05479	2.2
93.07033	1.8
95.04984	1.7
95.08611	1.3
98.06087	1.2
98.98471	15.4
104.10757	1.3
105.07009	1.3
105.63137	0.8
107.04970	4.1
109.02873	1.0
110.07188	2.1
110.09646	1.2
111.08094	0.9
112.11243	1.1
119.34677	0.8
120.08113	2.8
121.10181	0.8
122.02811	0.9
128.10716	9.3
129.10240	2.1
131.04959	0.8
132.10202	4.6
133.06552	1.1
133.10147	1.0
134.99635	1.3
136.07654	0.9
147.11554	1.1
149.09697	1.0
173.12865	100.0
174.13074	1.2
184.07341	2.1
193.12244	1.3
201.12329	20.1
211.13252	2.6
219.13454	1.2
245.18753	1.4
286.19672	0.8
314.14145	1.2
332.20779	1.3
332.24289	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	332.218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48005	0.8
50.75061	0.8
51.17243	0.7
55.01858	1.1
55.05512	5.8
56.05019	3.0
56.96551	1.5
57.03415	1.5
57.30521	0.8
58.06590	1.5
58.99583	1.3
60.04218	1.1
60.04523	21.2
60.08148	2.3
62.91633	0.8
67.05510	5.6
69.03413	2.7
69.06796	0.9
69.07072	9.5
70.02945	1.3
70.06596	12.4
71.04985	1.5
71.22897	0.8
71.58740	1.2
72.08140	3.4
73.02898	1.2
76.02219	2.4
79.05488	5.7
80.05003	1.5
81.03420	6.7
81.07060	6.7
83.04989	2.8
83.08626	4.3
84.04488	4.5
84.08138	6.2
85.02896	2.7
86.06070	6.0
86.09705	95.8
87.04483	5.2
87.05049	1.3
87.05586	12.5
87.10029	1.4
88.02225	1.5
88.03983	1.2
91.05477	5.8
93.07047	4.6
95.04980	4.8
95.08610	2.0
97.06541	0.9
97.10159	2.2
98.06028	4.8
98.97516	1.3
98.98467	20.1
102.05508	1.6
104.07092	3.1
104.10710	2.4
105.07076	2.1
106.06580	1.0
107.04935	4.1
107.08596	1.6
109.06563	1.0
110.07150	2.9
110.09658	1.1
111.08046	1.1
112.07630	1.3
112.11227	1.6
119.08545	2.0
120.08109	3.7
121.06416	1.1
121.10147	2.0
122.02727	4.7
125.09592	1.4
128.07088	1.9
128.10715	12.8
129.10199	2.9
130.06499	1.2
131.08540	2.0
132.10202	5.1
133.10127	2.4
136.07552	1.0
145.10049	0.9
146.05917	1.0
146.08139	3.1
147.11624	2.4
148.37846	0.9
149.09613	3.8
157.10098	1.8
158.06018	1.6
173.12860	100.0
175.11188	1.8
176.98741	1.2
177.10049	0.9
184.07329	3.0
193.12251	8.7
201.12332	17.9
211.13275	17.3
219.13400	2.4
239.78629	0.8
245.18604	1.1
252.15918	1.9
268.13629	1.8
270.17062	1.3
278.17432	0.9
288.18085	5.3
296.13101	1.0
314.14328	7.1
314.19629	15.7
332.13266	0.9
332.20639	2.3
332.24323	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	332.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.5
56.05038	2.2
67.05499	4.9
69.03423	5.5
69.07052	3.3
70.04066	19.6
70.06590	10.3
70.14653	4.3
71.04987	2.5
79.05489	6.4
81.03384	2.6
81.07049	12.0
82.06557	2.1
83.04977	5.0
84.04507	4.8
84.08141	1.3
84.86376	0.9
85.02886	2.4
86.06061	39.0
87.04457	33.1
87.04961	2.1
91.05475	2.9
93.07034	9.7
95.04961	1.5
95.08617	4.1
96.08121	1.6
97.06538	3.1
97.10120	1.3
98.06046	84.1
104.07082	10.9
105.07014	1.3
107.08593	3.9
109.10158	1.7
112.07572	4.1
121.10115	11.7
124.07600	3.1
126.05508	15.6
126.09187	1.5
128.07022	1.1
131.08575	4.2
133.10193	1.3
134.11588	1.1
137.08472	1.1
138.12749	2.0
139.11176	3.9
140.07063	1.2
142.08603	5.3
147.11679	1.9
148.07518	1.0
149.09619	21.2
154.08589	7.6
156.33896	1.2
158.08090	2.4
166.12277	8.1
167.10649	2.2
170.03314	1.0
184.13312	9.5
193.12267	3.0
206.15414	5.1
210.14914	3.5
211.13280	7.8
224.16423	9.4
228.16051	1.3
234.14944	4.7
252.15939	35.8
260.16431	1.8
270.16849	6.5
278.17673	2.3
288.18021	100.0
289.18353	2.5
296.18622	2.2
314.19583	60.1
315.19864	2.0
332.20685	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	332.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.2
56.05025	1.6
58.43761	0.9
58.53567	0.9
66.81202	1.1
67.05483	4.0
68.05006	1.6
69.03421	6.3
69.07071	2.0
70.01910	0.9
70.06247	1.1
70.06593	12.2
71.04981	3.3
71.38857	1.8
75.86425	0.8
79.05482	8.5
80.60774	1.1
81.03409	2.2
81.07050	9.6
82.06567	1.4
83.04964	6.3
83.08636	5.1
83.72050	1.0
84.04488	3.9
85.02917	1.3
86.06062	44.0
87.04469	34.2
91.05490	2.9
92.42324	1.1
93.07036	12.5
95.08594	3.7
96.08109	1.7
97.06528	3.7
98.06051	92.4
99.06405	1.5
100.07594	1.0
104.07103	5.1
105.07009	2.5
107.04945	1.8
107.08591	2.8
112.07597	3.5
121.10148	11.7
123.11698	1.1
124.07543	5.3
126.05502	17.8
128.07071	2.1
129.06586	1.7
131.08537	4.1
138.12720	2.2
139.11142	2.2
140.07042	1.5
142.08607	7.2
149.09624	20.3
154.08643	7.5
158.08102	1.1
166.12216	7.5
167.10629	1.5
184.13313	12.3
193.12257	1.2
202.14423	1.0
206.15356	5.9
210.14874	1.7
211.13264	2.6
224.16423	8.2
234.14838	6.1
252.15941	35.8
270.17041	3.4
288.18039	100.0
289.18329	4.0
314.19611	26.5
314.23352	1.3
332.20633	19.8
333.14612	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.8
56.05030	4.1
60.53200	1.6
67.05504	9.3
69.03419	7.2
69.07044	2.1
69.54206	11.8
70.04059	2.0
70.06584	4.0
71.04984	3.4
75.72298	1.5
79.05487	7.0
81.03423	5.1
81.07053	15.3
83.04987	4.4
83.08606	5.2
84.04506	7.3
84.08153	2.4
85.02896	2.7
86.06065	28.9
87.04466	30.4
91.05482	4.7
93.07043	11.5
95.04966	3.4
95.08611	5.5
96.08150	3.7
97.06515	6.8
97.10196	2.0
98.06056	24.3
98.21462	3.9
102.05529	3.7
104.07094	15.8
105.07024	5.1
107.08617	3.3
109.25864	1.6
112.07604	7.8
112.91014	1.8
119.08551	3.0
121.06548	1.7
121.10136	5.1
124.07579	4.5
126.09075	1.7
131.08572	4.9
133.10078	2.3
135.11673	2.0
138.09152	2.2
140.07074	3.3
141.98222	1.7
142.08601	5.3
147.11668	3.8
149.09602	17.6
149.13326	1.7
157.10011	1.8
158.08119	4.4
159.11852	2.2
165.12805	2.2
166.12135	2.0
170.12868	6.7
175.11284	2.4
177.12781	2.8
182.15395	4.0
184.13365	5.7
193.12276	7.7
195.13673	2.2
196.89070	1.7
210.14859	10.3
211.13307	11.4
224.16389	2.2
252.15979	7.0
252.27740	1.6
253.26404	1.8
270.17010	8.9
278.17526	4.7
288.18011	12.8
296.18628	4.1
314.19598	100.0
315.19980	2.7
332.20728	3.4
332.24152	3.9
339.62592	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	6.0
55.64783	4.3
56.05025	12.4
56.96559	5.5
57.03425	6.1
57.74988	4.1
60.04509	5.6
61.02924	8.4
64.67540	3.5
68.04992	6.5
69.03429	25.3
69.07046	3.8
69.75567	24.8
70.06593	76.3
71.06939	6.4
72.08144	44.3
74.06078	8.8
81.03426	9.9
82.98469	3.5
83.06107	14.8
84.04504	28.5
84.08149	54.0
85.02906	100.0
86.06067	7.3
86.09705	55.0
91.03938	8.5
97.02898	22.8
98.06071	4.2
98.20844	8.5
98.98473	87.0
99.04433	5.0
102.05516	7.5
103.05477	6.4
104.05264	4.2
107.04948	65.5
109.02859	8.5
110.07142	30.2
115.38416	4.2
116.07076	9.3
116.98677	4.2
116.99506	7.0
120.08092	17.2
121.06512	4.2
127.03913	27.8
129.10226	15.0
130.06531	12.6
130.08670	4.2
133.06407	5.8
135.08051	24.3
145.04951	28.2
145.06534	6.6
171.15068	4.5
173.06064	5.3
176.98886	4.0
180.08739	5.3
184.07346	7.5
188.07069	7.2
201.09079	5.0
215.06912	4.4
219.10211	13.7
234.98969	4.0
250.31741	3.8
250.50227	3.9
261.11292	10.1
315.14471	6.2
333.14600	11.4
350.07047	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	332.1337
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03925	0.9
57.03420	1.9
61.02907	2.0
65.03931	0.7
67.05494	2.7
69.03423	6.5
69.64882	2.6
71.04986	0.6
73.02908	1.9
79.05482	1.7
81.03397	1.9
81.07045	0.6
83.40364	0.4
85.02896	7.0
87.04457	1.3
92.04967	0.7
93.05763	0.7
94.06608	0.5
96.08122	1.2
97.02890	3.0
99.04437	0.7
106.06547	4.9
108.08106	100.0
109.02854	1.1
109.08441	1.1
109.95311	0.5
119.01818	0.5
123.06770	3.8
124.07572	17.7
127.03938	1.1
134.06009	13.7
136.07564	14.1
137.08385	0.7
152.07050	65.3
154.08591	1.7
170.08110	8.4
296.11774	0.5
296.83713	0.5
314.12292	39.4
315.12646	1.0
332.13367	46.7
333.13660	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09749	0.7
53.03931	0.8
55.01854	0.5
55.05502	3.0
56.96544	0.9
57.07069	1.3
58.99572	1.5
60.04523	1.7
65.03931	1.0
67.05503	4.8
69.03431	0.7
69.07071	6.9
70.06588	5.7
70.89258	0.7
71.04978	1.5
71.33665	1.2
72.08139	1.9
74.00655	2.4
76.02222	2.5
79.05494	11.5
79.31091	0.7
81.07053	8.2
83.04517	0.6
83.04970	3.7
83.08654	0.7
84.04507	1.2
84.08120	3.1
85.06530	1.9
86.09702	10.4
86.87803	0.7
86.99030	1.2
87.05586	1.3
88.03999	1.6
91.05476	30.7
93.07047	9.2
94.06569	1.0
95.04963	7.2
95.08608	1.6
97.06548	1.0
98.98457	8.0
99.82908	0.7
101.49937	0.6
103.05435	1.0
104.10681	0.8
105.07027	39.7
107.04940	4.8
107.08570	4.5
108.08132	0.7
109.06519	8.0
109.10110	1.2
110.07127	1.1
111.08067	0.9
117.07021	1.9
119.08583	14.6
120.01145	0.7
120.08076	3.0
122.02721	8.7
122.06083	1.5
123.04362	0.8
123.08083	0.8
123.11676	0.9
125.05978	2.8
125.09629	0.9
128.10692	0.7
129.06973	1.6
129.10272	1.4
131.08556	8.5
133.06511	2.2
133.10124	100.0
134.10435	1.2
137.05978	4.8
145.10123	1.1
147.11685	21.7
149.13263	0.9
151.07533	4.3
151.11182	16.0
153.22618	0.7
155.07013	5.0
157.10094	1.1
165.12769	1.7
173.12840	7.5
175.11179	10.9
193.12236	33.6
201.12329	2.1
211.13258	10.0
250.12653	1.6
268.13708	1.0
296.13089	1.0
297.11566	2.1
314.14145	2.3
315.12595	4.3
332.15274	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	332.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42433	0.6
56.96551	1.7
65.82132	0.6
65.95892	0.7
69.03429	1.1
69.07062	0.8
70.06586	3.8
70.32297	1.8
70.32687	1.4
79.05508	0.6
84.04488	1.8
84.08144	1.5
85.02898	1.6
86.06052	1.3
86.09698	2.6
97.02881	1.4
98.97526	1.4
98.98458	8.9
102.05548	1.0
107.04954	4.5
108.08098	4.4
108.95829	0.7
116.98608	0.9
118.06512	2.1
119.07323	3.1
123.05547	1.3
124.07573	0.8
124.99998	17.2
132.95811	1.1
134.05978	0.7
134.09644	25.2
136.06134	1.6
136.07553	0.8
144.08060	6.9
145.08847	3.3
146.97392	0.7
146.99583	1.1
150.96921	1.7
152.07089	3.1
160.11209	42.7
161.02995	1.1
161.11591	1.0
178.12263	100.0
179.12593	1.8
201.08804	0.8
202.96423	0.9
226.15392	1.0
243.13603	0.8
258.08884	8.6
262.98544	1.9
291.03998	0.9
314.12149	1.5
332.12637	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	332.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92934	0.6
53.03937	0.8
57.03413	1.5
58.57054	0.6
61.02908	2.1
65.03930	1.2
67.05492	2.7
68.16657	0.6
69.03414	7.2
71.59538	0.9
73.02908	2.9
79.05492	1.0
81.03389	2.0
81.07003	1.0
85.02892	8.5
85.68768	0.7
86.06086	0.9
86.09696	0.7
87.04452	1.6
91.03925	0.7
93.05755	0.8
95.85149	0.6
96.08095	0.8
97.02861	4.2
97.23965	0.6
99.04466	1.1
104.10722	2.9
106.06547	4.8
107.04931	1.6
108.08102	100.0
109.02879	1.1
109.08431	1.9
123.06770	4.2
124.07578	16.3
127.03896	1.7
131.01904	0.8
134.05995	11.8
134.83130	0.6
136.07564	13.5
145.04939	0.9
152.07045	73.7
154.08662	1.3
170.08070	9.0
203.04083	0.6
314.12283	39.8
332.13373	50.8
333.13574	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	11.8
57.03440	6.4
57.07073	100.0
57.57259	3.3
57.60609	3.1
67.05496	30.1
69.07056	24.5
70.93910	2.9
71.08624	62.2
81.07041	34.8
83.08628	29.4
84.24307	4.4
85.10172	41.5
91.05509	4.7
93.07077	4.3
95.08602	54.7
97.10165	13.6
98.98458	55.2
105.07043	9.3
109.10159	29.3
120.07066	3.5
120.97051	3.6
123.11719	12.5
125.13366	3.7
137.13274	4.6
140.11356	3.5
145.10080	5.4
176.98967	4.2
198.96422	3.5
221.22585	3.5
229.36363	4.2
234.03532	6.7
239.23688	13.9
242.48198	4.0
257.86255	3.3
313.27313	61.5
331.33844	12.3
353.17889	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	331.2242
Annotation	Deoxycorticosterone
Peak:m/z	Relative Intensity
50.05090	1.0
61.61795	1.1
70.94855	2.5
85.08543	1.3
87.48283	1.1
98.98461	33.5
105.07010	1.4
121.67648	1.1
318.74326	1.3
331.22430	100.0
332.22861	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.2
55.05512	7.8
57.03414	3.7
57.07073	61.9
58.07394	1.8
67.05508	13.7
69.07065	15.8
70.06583	8.5
70.07420	1.5
70.07837	1.0
70.66219	1.1
71.06904	3.4
71.08631	40.6
71.59619	2.1
75.04455	1.2
79.05469	2.1
81.07060	22.4
83.08617	15.0
85.06487	1.2
85.10180	24.4
88.07632	12.0
89.06001	2.1
89.07923	2.2
91.05467	2.9
93.07018	2.3
95.02789	1.2
95.08604	30.6
97.10148	6.1
97.96675	1.2
98.98465	19.8
99.11758	2.9
102.09174	3.0
103.07561	1.2
105.07011	3.6
106.07410	1.2
106.08663	8.9
109.09553	1.6
109.10161	16.0
111.11692	2.0
121.06503	1.8
123.11699	7.0
125.13239	1.2
137.13203	2.9
145.10117	1.4
164.94894	1.9
176.98882	1.3
219.21852	1.1
221.22545	2.3
233.03113	1.4
234.03403	2.5
235.02815	2.9
239.23734	10.5
257.24817	3.9
269.30347	2.6
287.31396	1.6
289.49915	1.4
313.27344	34.4
313.32837	8.2
314.27750	1.9
331.06171	1.5
331.33963	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.8
53.03929	1.8
57.07053	0.8
69.07072	1.4
70.65834	1.7
79.05479	4.0
87.04491	0.8
89.06020	10.9
89.61819	0.6
91.05486	4.2
93.07037	5.2
95.04961	3.9
95.08608	1.1
98.98464	9.3
103.05450	4.7
103.56028	0.7
105.07024	100.0
106.07359	2.1
119.04916	0.8
119.08592	1.6
121.06496	17.7
121.07363	1.1
131.08572	4.3
133.08611	4.1
139.07524	1.5
145.10143	1.7
147.08034	1.9
155.08539	0.9
165.06984	2.3
165.09105	6.9
166.07782	2.1
225.12750	1.7
227.12799	4.6
232.39833	0.8
234.03583	0.8
269.15393	2.0
270.61343	0.8
331.22916	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.8
53.03929	1.8
57.07053	0.8
69.07072	1.4
70.65834	1.7
79.05479	4.0
87.04491	0.8
89.06020	10.9
89.61819	0.6
91.05486	4.2
93.07037	5.2
95.04961	3.9
95.08608	1.1
98.98464	9.3
103.05450	4.7
103.56028	0.7
105.07024	100.0
106.07359	2.1
119.04916	0.8
119.08592	1.6
121.06496	17.7
121.07363	1.1
131.08572	4.3
133.08611	4.1
139.07524	1.5
145.10143	1.7
147.08034	1.9
155.08539	0.9
165.06984	2.3
165.09105	6.9
166.07782	2.1
225.12750	1.7
227.12799	4.6
232.39833	0.8
234.03583	0.8
269.15393	2.0
270.61343	0.8
331.22916	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1877
Annotation	Carnosol
Peak:m/z	Relative Intensity
51.60135	0.6
56.96556	1.5
65.85745	0.6
67.05496	0.7
67.44450	0.6
69.07062	0.7
69.76580	0.6
69.92680	3.8
85.49002	0.6
98.98461	15.3
147.53516	0.7
176.98994	0.8
210.61671	0.7
226.73381	0.8
276.47150	0.7
282.90088	0.7
331.18799	100.0
331.99924	0.7
332.19107	4.2
349.17987	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.5
53.00300	0.5
53.03920	0.6
55.05508	6.8
55.30424	0.5
56.05835	1.3
56.96560	1.2
57.03395	0.7
57.07071	21.1
58.07404	5.7
58.07675	0.8
58.92746	0.4
59.42651	0.5
67.05495	2.5
69.07061	58.0
70.03683	0.8
70.04072	11.6
70.06569	0.5
70.07391	15.3
70.07834	16.9
71.03773	0.7
71.04383	1.2
71.08172	4.4
71.59654	0.6
71.60040	0.5
77.00863	0.5
79.05490	1.6
81.07042	1.3
83.08603	0.5
88.99700	0.7
91.05474	2.1
91.15574	0.4
93.07040	1.3
95.01936	0.5
95.04963	0.8
95.08591	1.0
97.06528	0.7
97.10134	0.8
98.98460	13.2
105.07030	2.2
107.04928	2.5
107.08642	0.7
109.06514	0.8
110.03543	3.7
115.07553	15.3
115.08369	0.8
116.07895	4.3
116.99493	1.1
117.07005	0.6
119.04950	1.6
119.08569	1.5
121.06440	0.7
125.09691	0.6
129.06984	1.1
131.00720	1.5
131.08559	1.4
132.01138	0.6
133.06505	1.2
134.95767	7.7
134.99640	0.5
135.96074	3.6
136.95454	6.0
141.00264	1.0
145.06479	0.5
145.10129	3.8
148.97363	1.5
149.97675	1.2
150.96974	1.4
154.06554	0.5
157.10118	1.1
159.08012	1.4
159.11655	2.9
162.95250	10.3
163.95605	7.4
164.94957	8.3
164.96303	0.6
164.96942	0.6
169.10156	0.8
171.11659	0.5
173.13373	0.6
174.99171	0.7
176.96829	6.5
176.98929	0.9
177.97150	5.6
178.96524	6.6
183.11662	0.8
183.29904	0.5
190.98415	1.9
191.98744	1.6
192.98103	1.7
197.13295	0.7
211.11223	0.5
231.10706	0.6
233.03050	19.6
234.03406	54.1
235.02759	38.0
313.17834	5.1
315.19424	0.5
331.05975	3.2
331.13965	7.7
331.18784	100.0
332.05573	2.0
332.13083	8.5
332.19037	5.6
332.22369	1.0
349.17978	1.0
354.19351	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1534
Annotation	2',3'-Dihydro-jatamansin
Peak:m/z	Relative Intensity
53.88570	1.0
55.05518	8.8
56.96556	6.7
57.07058	4.5
57.65445	1.0
65.03930	4.4
66.47694	0.9
67.05170	1.8
67.05499	24.0
69.07062	2.4
69.57630	8.1
71.04956	1.8
79.05472	3.0
81.07041	3.0
85.06544	15.3
91.05484	9.6
93.07021	2.4
95.08611	3.1
98.98463	88.9
100.98895	2.6
103.05412	1.9
105.07021	3.9
107.08544	1.4
111.38851	1.1
116.99474	4.8
117.06998	3.4
118.32981	1.0
119.04922	3.8
119.08567	2.8
129.07002	2.5
131.04930	7.7
131.08543	5.3
133.06537	1.9
141.06897	1.7
142.07780	1.7
143.08533	1.7
145.06514	2.2
145.10141	7.6
147.04410	17.9
151.03830	1.1
155.08614	1.6
157.10092	1.9
159.04401	9.8
159.11650	4.1
161.05988	3.5
163.03896	3.4
169.10176	1.1
171.04414	3.3
171.11752	1.2
173.05960	1.5
174.99170	3.4
175.03903	100.0
176.04422	1.6
176.98882	4.7
177.05482	13.7
183.74983	1.0
185.13277	1.2
187.03926	18.9
187.07454	1.8
189.05469	13.9
198.06693	2.0
199.03883	7.3
199.07455	1.5
201.05472	4.2
201.09196	1.2
203.03400	3.9
203.07051	2.7
212.04723	1.8
213.05489	3.0
213.09081	1.6
215.07002	4.7
217.04915	2.4
226.06100	5.2
227.06909	2.5
228.07883	1.7
229.08580	29.3
231.10121	19.5
239.17850	1.4
241.08594	19.1
243.10196	17.8
245.08093	2.4
247.09659	43.9
253.08582	1.3
257.18961	1.6
259.09686	16.4
261.11255	1.4
265.10693	1.2
271.09573	2.0
295.13242	3.3
313.14288	13.7
316.05878	1.8
323.24744	1.2
331.08066	3.3
331.15466	11.2
331.18866	6.2
331.22626	4.7
349.16837	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	331.135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75048	0.8
55.01863	0.9
55.05507	4.8
55.93264	0.9
55.93521	14.8
56.94305	5.0
57.07061	2.8
58.07419	0.9
65.03928	1.0
67.05222	0.8
67.05498	9.1
69.03421	1.2
69.07066	8.4
70.07370	1.3
70.95853	12.0
71.78910	0.8
71.92991	3.2
72.93388	1.6
72.93781	26.3
73.94565	1.3
77.03905	0.8
79.05482	13.4
81.03400	2.6
81.07045	9.8
82.95859	1.1
88.96899	6.7
90.94815	17.9
91.05474	28.3
93.07045	8.5
95.04966	4.1
95.08572	2.7
97.06516	0.9
98.20724	2.3
98.98457	11.0
101.80199	0.8
103.05447	1.2
105.07021	24.7
107.04974	0.8
107.08593	4.7
108.95866	8.7
109.06528	1.0
109.10130	1.8
113.96359	1.9
114.86658	0.8
115.05433	1.5
115.07567	0.9
116.96317	2.1
116.99485	0.8
117.07002	7.6
119.04958	1.3
119.08563	17.3
121.06402	0.8
121.10145	1.1
123.94548	1.3
125.96118	1.1
126.98397	2.7
128.06206	2.3
128.96327	3.7
129.06996	6.4
130.97942	1.9
131.08549	5.4
131.97400	2.2
131.98656	2.1
132.95799	1.5
133.10117	4.9
134.97359	1.8
134.98920	1.7
135.08034	1.9
136.95305	1.4
137.97620	1.1
138.98402	6.4
140.01018	0.8
141.06995	3.0
142.97885	2.0
143.08539	4.5
144.95793	1.7
144.99457	5.4
145.10107	6.4
146.97342	4.9
147.11635	4.2
148.98946	4.1
149.00438	1.3
150.96873	2.8
150.98378	2.9
151.02042	2.3
151.97661	2.0
152.96284	1.0
153.00011	1.5
154.97911	1.7
155.08511	1.6
155.98601	1.6
156.99454	1.0
157.10129	1.7
158.97369	1.5
159.00992	1.3
159.11681	1.7
160.98988	1.9
161.13245	2.0
162.95273	1.5
162.96860	3.2
163.95566	1.1
164.64737	0.8
164.99963	10.6
165.97089	2.6
166.97946	4.1
168.95749	0.9
168.99472	1.5
170.97401	2.5
171.01050	1.2
172.98943	2.5
173.13223	0.9
175.02007	1.0
176.98555	1.0
177.03528	1.1
178.97923	6.2
179.01485	2.2
179.05083	1.1
180.99442	5.2
182.97461	1.4
183.98160	2.7
184.99017	4.6
186.01263	3.2
187.00504	2.8
189.00021	1.0
189.03656	2.0
191.01547	1.0
192.99464	5.8
193.03146	3.0
194.97417	0.9
195.00998	2.3
196.98943	2.6
197.99600	1.0
199.00433	3.4
199.02058	2.9
200.02812	3.2
201.01961	1.5
201.03613	3.4
201.99136	1.0
202.97964	1.6
203.01500	1.5
203.05255	1.9
204.02394	1.0
204.66376	0.8
204.99542	1.3
205.03127	1.0
207.01064	2.4
207.04654	1.1
209.02649	1.2
211.00441	1.8
212.02818	1.4
213.02074	1.5
213.03618	5.9
214.04333	3.0
215.05170	3.1
216.99425	2.4
217.03081	1.1
219.01065	1.6
220.98932	2.9
221.02406	1.1
223.04198	2.2
225.03633	2.2
226.04416	1.9
227.05354	5.0
228.05887	1.4
229.06917	1.9
231.01048	1.6
233.02736	1.9
234.03404	3.3
235.00537	1.4
235.02661	1.2
237.03722	1.6
238.04417	3.2
239.05180	3.6
240.05971	3.0
241.05191	2.7
242.07504	1.3
243.04626	1.3
243.06700	4.8
251.05116	1.6
252.05997	2.9
253.06775	4.3
254.07495	2.7
255.06555	1.8
259.06555	0.9
263.04990	1.0
264.06076	1.6
265.06689	1.7
266.07678	1.0
267.08218	1.1
271.10007	2.5
275.07248	2.3
276.08020	1.2
277.06699	3.4
279.08319	13.4
281.09833	22.1
283.11462	8.9
287.07266	1.2
289.08844	2.6
301.08762	3.3
303.10248	2.0
309.09341	1.2
325.08847	2.1
327.10397	5.8
329.11957	79.6
330.12238	3.3
331.13516	100.0
331.22223	2.1
331.26337	7.1
332.13855	1.4
347.13037	3.2
349.14587	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	331.135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75048	0.8
55.01863	0.9
55.05507	4.8
55.93264	0.9
55.93521	14.8
56.94305	5.0
57.07061	2.8
58.07419	0.9
65.03928	1.0
67.05222	0.8
67.05498	9.1
69.03421	1.2
69.07066	8.4
70.07370	1.3
70.95853	12.0
71.78910	0.8
71.92991	3.2
72.93388	1.6
72.93781	26.3
73.94565	1.3
77.03905	0.8
79.05482	13.4
81.03400	2.6
81.07045	9.8
82.95859	1.1
88.96899	6.7
90.94815	17.9
91.05474	28.3
93.07045	8.5
95.04966	4.1
95.08572	2.7
97.06516	0.9
98.20724	2.3
98.98457	11.0
101.80199	0.8
103.05447	1.2
105.07021	24.7
107.04974	0.8
107.08593	4.7
108.95866	8.7
109.06528	1.0
109.10130	1.8
113.96359	1.9
114.86658	0.8
115.05433	1.5
115.07567	0.9
116.96317	2.1
116.99485	0.8
117.07002	7.6
119.04958	1.3
119.08563	17.3
121.06402	0.8
121.10145	1.1
123.94548	1.3
125.96118	1.1
126.98397	2.7
128.06206	2.3
128.96327	3.7
129.06996	6.4
130.97942	1.9
131.08549	5.4
131.97400	2.2
131.98656	2.1
132.95799	1.5
133.10117	4.9
134.97359	1.8
134.98920	1.7
135.08034	1.9
136.95305	1.4
137.97620	1.1
138.98402	6.4
140.01018	0.8
141.06995	3.0
142.97885	2.0
143.08539	4.5
144.95793	1.7
144.99457	5.4
145.10107	6.4
146.97342	4.9
147.11635	4.2
148.98946	4.1
149.00438	1.3
150.96873	2.8
150.98378	2.9
151.02042	2.3
151.97661	2.0
152.96284	1.0
153.00011	1.5
154.97911	1.7
155.08511	1.6
155.98601	1.6
156.99454	1.0
157.10129	1.7
158.97369	1.5
159.00992	1.3
159.11681	1.7
160.98988	1.9
161.13245	2.0
162.95273	1.5
162.96860	3.2
163.95566	1.1
164.64737	0.8
164.99963	10.6
165.97089	2.6
166.97946	4.1
168.95749	0.9
168.99472	1.5
170.97401	2.5
171.01050	1.2
172.98943	2.5
173.13223	0.9
175.02007	1.0
176.98555	1.0
177.03528	1.1
178.97923	6.2
179.01485	2.2
179.05083	1.1
180.99442	5.2
182.97461	1.4
183.98160	2.7
184.99017	4.6
186.01263	3.2
187.00504	2.8
189.00021	1.0
189.03656	2.0
191.01547	1.0
192.99464	5.8
193.03146	3.0
194.97417	0.9
195.00998	2.3
196.98943	2.6
197.99600	1.0
199.00433	3.4
199.02058	2.9
200.02812	3.2
201.01961	1.5
201.03613	3.4
201.99136	1.0
202.97964	1.6
203.01500	1.5
203.05255	1.9
204.02394	1.0
204.66376	0.8
204.99542	1.3
205.03127	1.0
207.01064	2.4
207.04654	1.1
209.02649	1.2
211.00441	1.8
212.02818	1.4
213.02074	1.5
213.03618	5.9
214.04333	3.0
215.05170	3.1
216.99425	2.4
217.03081	1.1
219.01065	1.6
220.98932	2.9
221.02406	1.1
223.04198	2.2
225.03633	2.2
226.04416	1.9
227.05354	5.0
228.05887	1.4
229.06917	1.9
231.01048	1.6
233.02736	1.9
234.03404	3.3
235.00537	1.4
235.02661	1.2
237.03722	1.6
238.04417	3.2
239.05180	3.6
240.05971	3.0
241.05191	2.7
242.07504	1.3
243.04626	1.3
243.06700	4.8
251.05116	1.6
252.05997	2.9
253.06775	4.3
254.07495	2.7
255.06555	1.8
259.06555	0.9
263.04990	1.0
264.06076	1.6
265.06689	1.7
266.07678	1.0
267.08218	1.1
271.10007	2.5
275.07248	2.3
276.08020	1.2
277.06699	3.4
279.08319	13.4
281.09833	22.1
283.11462	8.9
287.07266	1.2
289.08844	2.6
301.08762	3.3
303.10248	2.0
309.09341	1.2
325.08847	2.1
327.10397	5.8
329.11957	79.6
330.12238	3.3
331.13516	100.0
331.22223	2.1
331.26337	7.1
332.13855	1.4
347.13037	3.2
349.14587	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	331.0809
Annotation	3,8-Dimethylherbacetin
Peak:m/z	Relative Intensity
50.03673	0.1
55.01841	0.1
55.05507	0.3
56.79155	0.1
56.96544	0.2
60.26365	0.1
61.46562	0.1
62.96414	0.1
65.03946	0.8
67.05482	0.4
69.03419	0.3
69.07047	0.3
69.41319	1.4
69.41667	0.2
70.06568	0.6
71.04984	0.1
72.08147	0.2
75.10854	0.1
79.05467	0.5
81.03413	0.3
81.07055	0.3
82.62588	0.2
82.71977	0.1
83.04991	0.4
84.04489	0.2
84.08125	0.4
85.02869	0.2
86.06063	0.2
86.09697	0.2
91.05468	0.4
92.02612	1.8
93.03399	1.7
93.07030	0.3
94.04207	0.2
94.06564	0.2
95.01349	0.2
95.04958	0.6
95.08577	0.2
97.02905	0.2
97.06498	0.3
98.97533	0.2
98.98460	4.2
99.04412	0.2
100.11297	0.1
105.07009	0.3
107.04953	0.7
109.02843	0.4
109.06464	0.2
109.10213	0.2
111.04424	0.8
116.99419	0.3
120.02007	0.2
121.02859	1.7
121.06483	0.2
121.10190	0.2
122.03696	0.2
122.06026	0.2
123.04392	0.5
125.02338	0.3
129.06935	0.2
131.04883	0.2
131.08516	0.2
133.02780	0.2
133.06427	0.1
135.04378	0.3
135.08061	0.2
137.02303	0.3
137.05969	1.3
137.09644	0.2
138.03114	0.3
140.04668	1.9
144.08134	0.1
145.06393	0.2
145.10164	0.2
146.06039	0.2
149.01218	0.1
151.03885	1.9
151.07509	0.4
153.05450	1.1
155.04938	0.1
161.06017	0.2
163.03911	0.2
164.07060	0.6
167.03389	20.2
168.03839	0.3
174.99217	0.3
176.98947	0.2
177.05399	0.4
179.03381	0.6
180.04176	0.3
183.04355	0.2
184.03647	0.5
184.05180	0.3
187.07445	0.3
189.06650	0.3
193.04913	0.5
195.07965	0.2
197.04364	0.3
198.09149	0.2
200.04691	0.5
201.10202	0.2
209.15375	0.1
211.12296	0.2
213.05440	0.4
213.20093	0.2
214.06268	0.5
215.06740	0.9
215.11716	0.3
216.04181	0.2
217.04953	2.0
218.05743	0.3
227.03345	0.9
228.04059	0.6
229.09639	0.5
229.13263	0.2
231.06493	3.9
232.07291	1.4
233.04388	0.9
239.08121	0.2
239.11818	0.2
241.04897	0.2
242.05733	3.6
243.06494	6.8
243.11264	0.4
244.07112	0.3
245.04439	1.9
246.05235	0.3
253.09660	0.2
254.08183	0.4
256.03668	0.7
256.08395	1.2
257.04398	0.2
257.08978	0.3
257.12878	0.3
259.05997	4.4
259.08731	0.3
260.06747	3.0
267.11224	0.5
268.09662	0.2
270.05215	0.5
271.06021	3.7
271.10593	1.3
273.04025	0.7
274.04620	0.4
275.09106	0.4
275.13599	0.2
284.03104	0.3
285.07870	0.3
285.12231	1.1
287.05466	4.1
288.06265	8.0
295.10791	0.5
298.04642	0.7
299.05469	5.7
300.05865	0.3
301.03326	0.4
302.07660	0.2
303.13303	0.2
313.11740	2.4
315.04794	0.3
316.05743	23.3
317.06116	0.4
331.08090	100.0
331.12311	4.8
332.08420	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.081
Annotation	Betuletol
Peak:m/z	Relative Intensity
51.37842	0.2
53.03938	0.3
55.05500	0.4
56.96553	0.6
57.03421	0.4
57.07048	0.3
65.03922	0.8
67.05490	0.8
69.03431	0.4
69.07061	0.7
70.06582	0.5
71.04994	0.2
71.59434	0.3
71.59791	0.2
79.05477	0.6
81.03381	0.4
81.07044	0.5
83.04961	0.3
83.08624	0.3
84.08132	0.4
86.06046	0.4
86.09718	0.2
91.05458	0.8
92.02623	2.1
93.03406	1.5
93.07030	0.7
94.06576	0.2
95.04943	0.4
95.08586	0.5
97.02901	0.4
98.98458	6.4
105.07026	0.4
107.04238	0.3
107.04908	1.2
107.08559	0.4
107.51379	0.2
109.02851	0.3
109.06490	0.2
109.10161	0.7
111.04453	0.6
115.58176	0.2
116.98586	0.2
119.08575	0.6
120.02245	0.2
121.02873	1.7
121.06512	0.2
122.03643	0.4
123.04421	0.5
125.02390	0.3
131.08548	0.5
132.36873	0.2
133.06483	0.3
133.10074	0.3
134.99609	0.4
135.04416	0.4
137.05959	1.0
138.03134	0.2
138.05403	0.3
140.04668	2.0
144.08151	0.2
145.10117	0.5
149.06024	0.3
149.09540	0.2
151.03894	2.2
153.05449	1.3
157.10295	0.3
158.97601	0.3
159.11696	0.4
160.97321	0.3
163.03920	0.3
163.97336	0.2
165.06938	0.2
167.03384	19.9
171.04552	0.3
171.11630	0.3
173.05956	0.4
173.09543	0.3
175.52464	0.2
176.98933	0.2
177.00664	0.2
177.05440	0.9
179.03413	0.5
180.04201	0.4
180.06564	1.3
184.03653	0.4
187.07602	0.3
189.05441	0.5
193.04918	0.3
197.04350	0.4
200.04698	0.4
204.07776	0.4
206.05725	0.4
208.06113	0.4
213.05540	0.3
214.06274	0.5
215.07072	1.5
217.04933	2.0
217.08562	0.3
218.05611	0.3
227.03387	0.7
228.04118	0.5
231.02829	0.4
231.06509	4.5
232.07257	1.6
233.04388	0.8
242.05695	3.4
243.06500	6.2
243.11368	0.4
244.06897	0.2
245.04454	2.0
246.05034	0.2
256.03662	0.7
257.04349	0.3
257.12646	0.3
259.05978	5.0
260.06790	2.9
270.05200	0.6
271.06012	3.2
271.10623	0.3
273.03949	0.7
274.04767	0.6
285.07410	0.4
285.12219	0.4
287.05417	3.6
288.06244	7.3
289.06531	0.2
298.04697	0.9
299.05493	6.0
301.03439	0.3
313.11804	1.0
315.04819	0.3
316.05750	22.9
317.06055	0.9
331.08081	100.0
331.97131	0.3
332.08453	2.8
335.23184	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0808
Annotation	3,8-Dimethylherbacetin
Peak:m/z	Relative Intensity
65.03927	0.6
67.01871	0.2
67.05500	0.3
69.28709	1.5
69.29129	0.2
92.02618	2.4
93.03400	2.0
93.07028	0.3
94.04178	0.1
95.01311	0.3
95.04946	0.4
98.97546	0.2
98.98466	0.8
107.08612	0.2
109.02909	0.2
111.04423	0.6
111.94962	0.2
121.02849	1.7
121.10268	0.2
122.03652	0.2
123.04403	0.4
125.02341	0.4
134.21910	0.2
135.04341	0.2
137.02374	0.3
137.05917	0.8
138.03114	0.3
139.03911	0.2
140.04663	2.8
142.05112	0.2
145.02814	0.2
150.03148	0.3
151.03891	1.7
151.04985	0.3
153.05463	1.2
155.03548	0.2
155.04861	0.3
159.08089	0.2
163.03880	0.2
166.02611	0.3
167.03387	23.4
175.07549	0.2
177.05484	0.3
179.03410	0.8
180.04187	0.3
184.03676	0.3
184.05116	0.3
187.07545	0.4
189.05476	0.2
193.04889	0.4
197.04442	0.3
200.04613	0.4
203.07095	0.2
204.07751	0.3
207.02985	0.2
213.05486	0.3
214.06195	0.6
215.07031	1.2
217.04933	2.3
218.05580	0.4
227.03444	0.9
228.04163	0.7
231.06508	4.2
232.07259	1.1
233.04413	1.0
242.05692	4.0
243.06494	6.8
245.04491	2.2
245.06812	0.3
256.03656	0.7
257.04300	0.2
259.05997	4.6
260.06793	3.3
270.05283	0.4
271.05984	3.8
273.03912	0.7
274.04684	0.7
275.09158	0.5
284.02988	0.2
285.07419	0.3
287.05472	4.2
288.06259	7.5
289.06808	0.2
298.04694	0.7
299.05475	5.9
300.06186	0.4
301.03369	0.4
302.07916	0.3
315.05151	0.3
316.05753	25.4
317.06085	0.5
317.11371	0.5
331.08084	100.0
332.08429	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	330.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79025	3.0
52.51379	3.5
55.05511	6.7
57.07080	4.6
67.05503	4.9
69.07064	4.5
69.78858	8.1
69.79269	13.7
70.06591	6.3
71.08631	4.2
72.08146	5.0
81.07056	8.8
81.38165	3.3
87.04469	14.2
88.07639	9.6
96.97175	3.6
98.21465	7.4
98.98469	100.0
99.08088	3.8
100.11256	6.0
102.09179	4.2
102.35262	4.0
116.99490	5.2
117.74976	3.2
174.99263	4.7
176.98808	4.1
189.11194	5.4
215.75117	3.1
270.27982	5.4
276.53345	3.6
330.29990	16.8
330.33841	12.2
351.89841	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	331.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64505	1.8
55.93513	2.0
56.05020	2.1
56.96562	6.0
57.07074	2.3
69.03416	2.6
69.07055	3.8
70.06599	11.5
70.77164	1.9
71.04989	2.0
71.59010	2.0
71.59370	2.8
72.08164	2.6
79.05454	2.4
81.03435	2.8
84.04494	2.7
84.08139	8.1
84.96005	2.6
85.02907	5.5
86.09676	2.4
98.97592	10.8
98.98460	100.0
100.98847	3.3
101.07144	3.9
102.05518	2.2
107.04933	17.9
110.82864	2.1
110.97558	2.4
116.98623	10.1
116.99529	6.0
119.08177	4.4
122.97403	2.5
127.03930	2.5
128.98636	7.6
129.10234	2.6
134.99661	7.4
146.99643	7.9
149.01128	2.1
150.05522	2.8
150.96901	2.4
155.07066	2.6
160.11227	5.7
169.09799	2.2
174.99213	4.4
175.02831	3.9
176.98859	5.6
177.00589	3.5
178.12274	9.4
205.03767	2.6
219.01799	6.2
223.04747	2.2
225.12231	2.6
237.02795	18.4
247.04836	3.0
255.03923	2.6
262.98746	2.2
263.99863	2.5
301.05930	4.0
319.07025	3.1
331.04041	3.1
331.07733	39.7
331.13702	4.0
349.08063	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	330.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02352	0.3
53.00308	0.4
53.03931	0.4
55.05504	8.7
56.19017	0.3
56.96566	1.7
57.07067	41.4
58.07404	1.3
62.96402	0.3
64.96089	0.4
67.05508	3.0
69.03426	0.4
69.07058	92.1
70.04068	8.0
70.05555	1.4
70.07401	3.4
70.07841	13.5
71.08183	0.4
76.82896	0.3
79.05479	1.5
81.07053	1.4
83.04888	0.5
83.08623	1.5
85.06539	0.8
87.91388	0.3
88.99715	0.3
91.05471	0.7
93.07010	0.7
95.04955	0.4
95.08592	0.6
97.06535	0.4
97.10148	3.0
98.98462	2.4
103.03112	0.9
105.02825	1.2
105.06999	0.6
107.08594	1.3
110.03508	3.4
114.00407	0.3
115.07552	25.3
116.07863	1.2
117.08034	0.4
119.08497	0.3
120.42079	0.3
121.10136	0.3
125.01518	0.8
125.09599	3.0
127.01223	0.3
129.01004	1.0
129.99960	0.4
131.00700	0.8
132.96065	0.4
134.95755	23.5
135.08002	0.4
135.96088	0.6
139.00554	0.4
140.99084	0.3
141.00182	0.8
145.06477	0.4
146.99689	0.3
148.97327	3.7
155.02576	0.3
156.01472	0.5
159.07936	0.7
160.08794	0.8
161.95856	0.7
162.95242	51.2
163.95551	1.6
164.96820	5.9
164.98189	0.4
174.96384	1.0
176.96802	21.8
177.97157	0.9
181.04045	0.6
183.03893	0.6
189.11179	4.0
190.98343	5.5
191.98686	0.4
195.05707	1.1
196.06393	0.4
197.05400	1.3
198.06197	0.5
203.97935	0.6
231.03459	0.4
232.03719	1.0
233.03052	100.0
234.03387	6.7
255.09026	0.4
277.21646	2.2
292.42416	0.3
312.19586	0.3
312.75134	0.3
330.05820	4.3
331.05911	0.6
331.15637	1.7
349.16824	3.0
350.17273	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	14.3
57.07067	7.5
58.99586	16.4
61.01146	2.3
61.12683	2.3
67.05498	11.8
69.07076	20.4
70.06597	2.8
71.08636	5.0
71.60239	2.9
71.60603	2.6
76.02228	11.1
79.05466	2.9
81.07046	16.6
83.08629	14.5
86.99059	8.5
87.02685	13.4
88.02200	4.1
88.03999	5.2
91.05454	2.2
95.08614	14.0
97.10164	9.3
98.98470	100.0
101.04250	6.5
105.00082	3.1
109.10142	8.7
116.05290	4.7
116.99486	5.0
123.11698	3.0
137.13206	2.4
140.01086	3.4
155.01158	2.2
174.99208	4.6
176.98982	3.9
195.42152	2.3
226.25288	23.4
241.19897	3.5
284.24100	13.7
313.22037	12.1
330.24579	57.9
330.33508	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	330.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.4
56.96547	1.0
57.03438	1.0
57.07058	3.7
67.05483	4.8
69.07063	7.6
69.64379	6.3
70.04070	100.0
79.05485	3.5
81.07049	4.9
91.05446	3.0
91.47527	0.8
93.07033	5.0
95.08606	3.0
98.98457	9.5
99.08066	2.2
100.11243	2.1
105.07023	2.1
107.08558	1.9
115.07557	1.5
119.08574	1.5
121.06490	6.0
131.08556	0.9
135.11705	1.8
137.47960	0.9
139.11165	1.1
149.80818	0.9
159.11746	0.9
162.95224	2.1
176.96814	2.2
185.99214	0.8
195.13766	2.6
202.67390	0.8
215.05911	0.8
233.03069	5.3
244.67513	0.9
277.21628	2.7
312.19769	1.1
330.05835	3.2
330.20648	4.4
330.33658	1.6
331.18646	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1911
Annotation	Heliotrine N-oxide
Peak:m/z	Relative Intensity
53.03940	5.5
55.01873	4.7
55.05511	4.8
56.05030	1.2
56.96552	1.8
57.03447	1.2
57.07072	1.2
62.74733	1.0
65.03957	1.2
65.37188	0.9
67.05499	24.3
69.03430	3.5
69.07066	7.9
70.06585	3.3
71.04626	1.1
71.04992	4.5
71.59650	1.3
72.08152	3.7
73.02904	1.1
74.06115	1.0
79.05492	15.3
80.04999	1.6
81.03416	13.7
81.07050	20.0
83.04984	10.1
83.08608	1.7
84.08157	2.8
85.02893	2.2
86.06064	37.1
86.09718	5.2
87.04465	11.5
91.05470	12.0
93.07040	14.4
95.01324	2.4
95.04959	14.6
95.08595	3.5
97.02890	1.2
97.06509	5.5
97.10252	0.9
98.98466	21.7
99.04440	1.3
104.07087	11.0
105.07025	5.0
107.04948	25.8
107.08599	7.1
109.02923	1.1
109.06533	4.8
109.10100	2.3
110.06021	1.0
111.04433	11.8
111.08097	3.2
113.51250	1.0
115.07535	1.2
116.98573	1.8
117.07036	8.1
119.08578	5.2
121.06507	6.2
121.10133	12.7
129.06998	2.9
131.04916	3.3
131.08546	6.9
134.95798	1.6
135.08037	2.0
135.11681	10.2
137.05939	1.3
145.06474	6.8
145.10115	17.2
146.11748	1.0
148.02725	0.9
149.09595	2.9
152.07085	1.0
153.07018	1.2
153.12744	3.8
155.08539	11.7
158.97614	5.7
162.95280	2.1
163.11183	18.1
173.09615	23.7
173.10985	1.9
176.98804	1.6
181.12234	9.7
191.10663	17.4
205.48697	1.2
208.13321	1.6
209.11784	5.2
227.12735	15.4
227.14561	1.2
233.03090	4.2
244.13281	2.8
266.17560	1.3
268.19305	1.5
276.15884	3.0
294.17145	1.2
301.56232	1.1
312.18060	100.0
312.21371	3.8
313.18192	2.5
315.08698	1.1
316.05832	1.4
330.07278	1.7
330.13541	1.4
330.17117	4.1
331.08115	4.7
331.12198	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	9.8
57.03426	2.5
57.07080	5.9
67.05209	1.0
67.05505	9.5
68.99791	1.7
69.07073	9.1
71.08624	2.3
71.58389	1.2
79.05492	4.5
81.07056	9.9
83.08620	10.0
85.10149	1.2
93.07037	8.4
95.08606	8.3
97.06536	3.3
97.10184	5.5
98.98464	100.0
105.07076	1.2
107.08602	8.2
109.10152	5.2
111.00793	1.5
111.08072	1.1
112.11989	0.8
116.99523	6.1
121.09311	1.5
121.10139	14.6
122.54804	0.8
123.11683	4.1
124.29009	0.9
125.09583	1.0
129.01846	12.3
135.11687	9.6
137.13257	2.3
139.00278	2.5
140.01086	1.6
141.08650	0.8
146.22386	0.9
148.60338	0.8
149.13225	4.6
150.04233	1.0
153.12849	1.4
157.01302	5.2
163.14809	1.8
171.20796	1.0
174.99203	6.3
176.98930	3.9
185.08141	3.5
219.21089	11.2
226.25296	0.9
237.22166	6.1
240.12346	0.9
255.23210	1.0
311.25897	3.3
330.24783	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
55.05504	4.3
56.05027	4.7
56.38443	1.0
57.03428	2.0
58.18179	0.9
60.04521	3.9
61.02921	2.7
65.03952	1.6
67.05502	1.6
68.05014	1.1
69.03429	8.5
69.07062	2.9
70.02921	1.5
70.06593	34.6
71.04987	1.7
71.19503	2.8
72.08158	20.1
73.02902	1.2
74.06075	4.2
76.02210	2.2
76.88217	1.1
79.05503	6.1
81.03418	4.3
81.07060	5.4
83.06103	4.9
84.04512	10.3
84.08143	20.8
85.02908	21.7
86.06078	1.4
86.09705	35.1
86.99058	1.0
87.05590	1.4
87.10069	1.1
88.03964	1.8
91.05486	49.4
92.05817	5.0
93.07047	2.4
94.06561	3.7
95.04950	5.4
95.08601	1.4
95.84628	1.2
97.02914	8.8
98.06076	1.6
98.09686	1.5
98.98469	100.0
99.04454	2.1
100.98922	1.9
102.05542	3.9
103.05495	3.2
104.10725	1.8
105.07031	10.1
106.06557	2.4
107.04955	46.3
107.07336	1.4
108.08170	1.6
109.02847	2.4
109.06517	7.6
109.74675	1.0
110.07147	8.1
111.04442	1.9
112.08690	2.0
114.09166	1.1
115.05441	1.4
115.08670	1.7
116.07133	1.7
116.98660	1.3
116.99495	4.6
117.05769	2.2
119.01851	1.3
119.04916	3.8
120.05290	1.7
120.08107	33.8
120.08949	2.2
121.06493	1.7
121.08466	1.6
122.02728	1.2
122.09647	5.2
124.62480	1.3
127.03912	3.7
129.06631	4.2
129.10255	14.6
130.05000	1.7
130.08656	1.6
132.08095	31.4
132.10214	2.1
133.06483	12.7
134.06853	1.2
136.07579	18.3
137.07919	14.6
140.07042	1.1
143.11859	1.5
145.05002	3.7
147.11395	1.3
150.09142	48.7
150.96944	1.4
157.06827	2.1
158.99773	1.1
168.10197	13.1
168.99586	1.7
170.00221	1.7
171.19829	1.2
174.09413	2.5
174.99229	2.7
176.98969	3.1
182.00198	1.3
184.07372	1.7
185.16513	3.3
195.07838	1.2
213.16098	1.9
233.05962	1.8
245.04700	2.0
312.14462	1.8
330.04041	3.4
330.15436	4.3
330.19516	4.3
331.13174	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	329.2318
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
53.03934	3.3
53.86401	1.2
55.01861	2.2
55.05511	8.8
56.96554	6.4
57.03422	4.2
57.07076	3.7
58.29583	1.4
61.02905	5.3
63.52682	1.3
67.05495	22.0
69.03412	3.6
69.07059	8.2
70.04065	8.4
70.06554	1.8
71.04975	4.7
71.59750	1.9
72.08122	1.3
73.02882	3.2
79.05487	11.7
81.03393	7.8
81.07056	14.5
83.04946	2.6
83.08610	6.3
85.02902	7.3
85.06505	1.7
86.09692	1.4
90.99574	1.1
91.03930	2.3
91.05478	9.4
93.07032	12.9
95.04944	5.9
95.08603	10.6
97.02886	5.3
97.06516	4.7
97.10152	3.5
98.98460	100.0
99.04456	1.9
99.08070	3.0
100.98894	1.3
101.02374	2.3
103.05438	1.8
105.07015	11.3
107.04939	3.5
107.08589	9.5
109.02851	4.1
109.06499	4.2
109.10152	15.8
111.08047	2.9
116.98631	2.0
116.99478	4.3
117.06999	3.5
119.01912	2.3
119.08591	7.0
121.06493	3.1
121.10129	10.6
123.04426	1.5
123.08060	2.6
123.11674	1.8
125.09618	2.7
127.03905	3.9
129.06967	2.7
131.08569	5.5
133.06509	1.7
133.10077	6.3
134.99658	1.5
135.08006	1.7
137.09566	1.6
139.11169	4.0
142.07690	1.9
143.08575	3.4
145.06459	2.6
145.10124	4.3
147.08093	1.7
147.11679	2.6
149.09590	2.8
151.07484	1.7
155.08582	1.5
157.10188	1.7
158.97615	5.3
159.11636	2.9
161.05942	1.6
161.09671	1.9
161.13275	2.6
171.11679	3.3
173.11717	5.3
173.13133	1.6
174.99210	6.1
175.11145	1.8
176.98901	3.5
183.11633	1.4
185.04832	2.0
185.13145	1.9
193.12212	1.7
195.10146	2.9
203.05846	2.1
203.12769	3.8
211.13170	3.1
214.12289	1.5
217.07416	2.8
219.17474	2.3
223.16867	2.3
225.11171	3.8
229.07455	7.5
229.14331	3.9
243.08820	4.9
247.08441	9.7
248.62030	1.7
267.08957	11.5
268.09326	2.0
275.20023	10.7
283.20551	1.4
285.10086	27.1
286.10458	2.8
293.21121	4.9
303.11182	1.7
308.11658	2.8
311.19958	2.7
329.13907	2.2
329.17242	3.8
329.21164	12.5
329.27954	3.4
330.07480	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	329.2108
Annotation	16-alpha,17-Epoxypregn-4-ene-3,20-dione
Peak:m/z	Relative Intensity
53.03926	1.4
55.01855	1.2
55.05499	10.7
56.91428	1.3
56.96553	3.4
57.07065	3.3
61.02890	1.4
67.05494	8.3
69.03417	3.6
69.07061	6.8
70.06597	2.1
71.04990	2.0
71.59699	2.4
72.08122	1.4
79.05487	9.1
80.05825	1.7
81.03409	1.8
81.07048	9.9
83.04979	7.2
83.08607	6.8
85.02898	1.6
85.06508	2.0
91.05474	10.9
91.72466	1.2
93.07043	16.6
95.04974	10.5
95.06140	1.6
95.08612	8.9
96.32947	1.3
97.06514	5.5
97.10149	4.3
98.98457	100.0
105.07035	16.8
107.04942	2.8
107.08594	15.8
108.08875	2.0
109.06452	7.0
109.10145	6.7
111.08051	2.8
113.09628	1.6
116.99485	4.6
117.06999	5.0
118.02876	1.4
119.04927	1.3
119.08551	9.5
121.06478	6.5
121.10130	14.4
123.08054	5.5
125.09614	4.9
126.10007	2.6
128.06201	1.5
129.07018	3.4
130.07750	2.1
131.08559	11.5
133.10104	13.5
135.08040	4.1
135.11655	2.6
137.05946	1.7
137.09596	2.9
141.06888	1.5
142.07787	4.3
143.08549	5.4
145.06477	1.7
145.10143	9.8
146.07253	2.4
147.08057	2.5
147.11684	3.8
149.09578	5.3
151.07541	2.4
153.09064	1.8
155.08546	4.1
155.10622	1.5
156.09299	2.8
157.10127	10.2
158.10927	1.3
159.08049	1.9
159.11655	10.1
161.09599	8.3
161.13222	1.6
162.95273	1.6
163.11191	2.3
169.10095	3.2
171.11662	5.5
173.09596	6.7
173.13220	5.7
174.99225	6.1
175.07472	1.5
175.11169	4.5
176.98944	4.0
181.10162	2.0
181.12251	1.8
182.11102	2.2
183.11679	5.2
185.09590	3.2
185.13170	3.5
187.11162	2.9
189.11208	3.7
189.12708	1.8
190.11630	3.2
193.10097	2.0
193.12064	2.0
194.11082	1.9
194.53627	1.4
195.11736	3.2
197.13280	2.2
199.11089	2.2
199.14813	4.1
201.12755	3.9
203.10744	1.9
209.13222	3.1
211.11160	2.0
211.14793	3.1
213.12822	2.5
225.16438	2.3
227.14392	2.0
229.15961	2.5
233.03001	3.1
237.91650	1.3
243.17366	1.7
251.18196	1.8
253.15762	3.1
269.18924	1.6
271.16959	2.3
273.14920	1.5
276.20505	3.9
293.18948	2.8
311.19974	8.1
329.06494	1.9
329.17545	1.8
329.21075	37.4
329.24472	2.3
330.05698	2.3
330.21191	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59835	3.2
53.03937	5.7
55.01866	8.8
55.05505	13.7
57.03428	12.1
57.07069	5.9
58.43740	3.7
61.02914	6.6
65.03978	3.3
67.05501	17.1
69.03429	33.3
69.07065	74.2
70.06588	4.7
71.01328	3.7
71.04986	32.5
71.59654	3.9
71.60135	5.7
73.02908	8.2
79.05480	15.9
80.31169	2.9
81.03409	14.3
81.07051	21.6
83.04974	8.6
83.08604	17.1
84.08160	3.8
85.02898	29.1
91.05470	21.4
93.07037	26.1
95.04972	13.1
95.08609	25.6
96.08103	3.4
96.66474	2.7
97.02889	13.4
97.06521	8.0
98.98463	100.0
98.99117	5.0
99.04444	9.6
103.03938	8.3
105.07007	21.0
107.04949	23.7
107.08575	24.3
108.05280	6.2
109.06483	6.6
109.10153	23.7
111.04420	8.8
111.08088	4.0
114.05540	3.9
115.03937	5.4
116.99474	4.8
117.07043	6.9
119.08584	21.8
121.06530	6.7
121.10163	15.0
123.04462	5.5
123.08086	15.9
123.11691	5.0
127.03880	5.2
127.11165	7.7
128.06221	3.6
129.07034	4.6
130.06493	3.9
131.08571	13.2
133.04927	5.2
133.06512	4.7
133.10124	12.0
135.08058	9.9
135.11710	7.4
137.09634	5.6
139.11266	3.4
143.08540	6.7
145.06462	6.8
145.10121	13.4
147.08023	7.6
147.11659	5.6
149.09624	7.9
149.13225	12.2
151.11124	3.8
157.10117	3.7
158.05917	4.0
158.98000	3.0
159.08058	6.3
161.09599	6.6
161.13333	4.2
163.11185	3.0
165.09109	3.8
165.12755	6.4
167.14261	7.3
169.10083	5.1
171.11618	4.0
172.03860	4.5
174.99159	7.0
176.09050	3.5
177.12756	7.0
178.15808	4.1
179.14340	21.4
182.15358	3.6
187.11259	7.4
187.14868	3.7
189.09064	5.8
191.14328	9.3
203.14061	3.6
204.06575	9.4
207.10199	7.5
217.04968	4.3
228.15993	4.3
233.15352	3.9
245.15331	5.3
248.16321	6.2
275.16464	4.3
293.17480	4.5
306.68231	3.1
311.18472	5.1
329.06754	5.4
329.14789	9.2
329.20572	13.6
354.75668	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	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
62.03085	0.8
65.63646	0.7
67.05497	1.3
69.07067	1.8
69.99842	1.6
70.00256	2.9
73.08413	0.7
79.05499	1.7
81.07076	1.9
83.36932	0.8
95.04968	1.3
98.09692	1.5
98.98468	100.0
100.98895	1.1
107.04964	3.7
109.10187	0.9
116.99477	4.7
120.74651	0.9
121.06500	1.1
121.10193	0.9
122.59238	0.9
135.11746	1.0
140.01102	1.0
145.06491	1.0
172.94208	0.8
174.99255	7.0
176.98938	2.0
229.39946	0.9
232.96494	1.3
250.97513	1.3
275.19971	1.2
328.26331	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	329.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90479	0.7
55.01886	0.8
55.05507	3.9
56.96556	1.6
57.07062	1.9
61.20234	0.7
61.22361	0.8
61.42521	0.7
67.05499	3.0
69.03445	0.8
69.07066	6.1
70.04061	1.1
71.60459	1.1
76.69772	0.7
77.00913	1.0
79.05490	2.4
81.03402	1.0
81.07070	3.7
83.04961	0.8
83.08616	2.3
90.31934	0.9
91.05482	4.2
93.07049	4.2
95.04972	1.4
95.08591	2.2
97.06506	0.9
97.10163	3.2
98.10480	1.2
98.98460	49.6
105.07034	2.8
107.04903	2.0
107.08585	4.0
108.08905	2.6
109.06489	1.0
109.10110	1.6
111.08110	1.0
115.07476	1.2
116.99501	2.2
117.07032	0.9
119.08579	1.8
121.06544	0.8
121.10128	3.7
123.08080	1.2
125.09612	3.4
129.07057	1.0
131.08557	1.9
133.10118	1.8
137.05957	1.0
140.01042	0.9
143.08546	1.5
145.06445	1.0
145.10094	1.7
147.11754	0.8
148.97398	1.0
149.09604	1.3
161.09636	1.0
162.77834	0.8
162.95261	1.7
165.07076	0.8
174.99229	3.6
176.98964	1.9
184.08360	1.0
189.11195	2.2
190.11502	1.4
191.12628	0.7
206.09482	1.2
207.09938	2.2
207.13745	1.1
210.41666	0.7
211.07626	0.9
212.07890	2.6
220.07726	0.8
221.08060	1.4
232.03677	1.6
233.02998	3.7
234.09004	3.2
235.09312	4.6
240.90939	2.8
242.85387	0.9
244.74783	0.8
247.90883	0.9
276.20432	2.7
306.91980	2.6
329.13730	7.4
329.17215	100.0
329.20941	4.5
330.17670	1.9
347.17126	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87034	0.6
53.03929	1.0
55.01849	0.7
55.05253	0.9
55.05508	9.2
56.03770	0.7
56.96554	1.0
57.06821	0.9
57.07073	13.9
67.05497	8.9
69.03388	1.2
69.07062	37.8
69.93987	4.7
70.04072	5.7
70.07457	0.7
70.07841	4.4
71.04976	1.0
72.08167	0.7
79.05482	8.3
81.03419	1.4
81.07050	10.3
83.04881	3.2
83.08628	3.7
85.06536	1.1
88.07633	1.1
91.05477	7.1
93.06467	1.0
93.07046	9.5
95.04954	1.9
95.08619	4.6
96.05634	4.5
97.06529	1.4
97.10166	3.9
98.09658	1.0
98.20781	0.9
98.98457	100.0
100.73955	0.9
103.03125	1.0
105.07018	5.8
107.04962	1.5
107.08585	9.0
109.06487	1.0
109.10133	3.9
110.03538	1.2
115.07555	8.2
116.99466	4.8
117.06999	1.4
119.08580	3.8
121.10153	3.0
123.08065	1.2
123.11686	1.1
124.08711	1.1
125.09633	3.6
129.01004	0.9
131.08565	2.1
132.96043	8.6
133.10104	3.9
135.08070	1.7
135.11688	2.3
137.09711	0.9
139.07414	2.7
140.01074	0.9
145.10130	1.7
146.97617	1.9
147.11670	3.4
149.09668	0.9
159.11682	1.6
160.95551	18.7
162.97139	2.7
163.11113	0.8
167.10529	2.3
171.11752	0.7
173.11713	0.9
173.13197	0.9
174.42365	0.8
174.97116	10.9
174.99202	5.7
176.98940	2.8
181.12253	1.3
188.98724	2.7
189.11217	5.3
189.71524	0.7
190.95361	2.0
195.13914	0.7
208.96498	1.1
217.31824	0.8
231.03362	38.8
232.03760	2.4
232.96458	1.9
235.17099	1.1
250.97462	1.2
255.08961	0.8
256.26459	1.5
256.54440	0.8
259.52661	0.8
275.20047	7.0
293.21265	1.0
328.06158	16.0
328.19077	1.0
328.28476	3.1
329.06372	1.8
329.11435	0.9
329.17145	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01859	2.5
55.05509	14.5
56.96555	1.9
57.03429	3.7
57.07067	2.4
65.03928	1.0
67.05499	34.3
69.03429	2.4
69.06713	1.5
69.07064	19.7
70.04079	1.8
71.04975	2.6
71.59415	1.0
71.59808	1.4
73.02943	1.0
79.05489	20.7
79.05952	1.1
79.70947	0.8
80.05786	0.9
81.03409	2.8
81.07048	40.0
82.07365	1.1
83.04978	2.5
83.08617	10.7
84.05605	1.0
85.02876	1.1
85.06542	2.4
85.71743	0.9
91.05471	12.9
91.05993	0.9
93.07035	20.2
95.04964	4.9
95.08604	17.9
97.02887	0.9
97.06525	6.1
97.10166	7.9
98.98457	34.1
98.99110	1.7
99.08102	1.5
105.07023	10.2
106.84571	0.7
107.04957	6.0
107.08583	17.2
109.05791	0.8
109.06532	3.0
109.10145	20.6
111.08085	3.2
113.91972	0.7
115.07581	1.4
116.99493	1.9
117.07020	3.9
119.08576	10.4
121.06514	2.0
121.10130	6.8
122.99981	1.6
123.08067	2.8
123.11693	2.7
124.99695	1.2
125.09639	7.1
129.07028	1.3
131.08548	6.1
132.96077	1.3
133.10120	10.6
135.08064	2.0
135.11653	5.6
137.09671	2.1
139.11166	1.2
143.08559	1.4
145.10069	4.9
147.07996	1.1
147.11687	6.5
149.09634	3.6
149.13239	7.6
151.11166	1.8
154.12262	1.9
155.08580	1.1
155.10695	2.4
157.10130	1.1
158.97585	1.2
159.11679	5.7
159.97900	0.8
160.97328	100.0
161.09743	1.0
161.13315	1.2
161.97711	3.3
163.11191	2.8
165.12721	1.3
169.10193	1.2
169.32664	0.8
171.11600	1.5
172.13339	2.7
173.11746	18.0
173.13167	1.7
174.97137	1.0
174.99258	2.9
175.11272	1.3
177.12794	3.5
177.53198	0.8
179.14313	1.1
183.11597	0.9
187.11177	0.9
188.98773	1.3
189.11223	7.7
193.12283	1.2
195.13785	13.7
195.15479	1.2
201.99901	1.0
208.96407	0.9
213.14885	4.7
222.18336	1.0
223.13376	1.3
231.03406	3.7
239.17950	1.5
257.19104	3.5
274.18933	1.1
275.20047	24.5
292.19910	1.8
293.21167	4.9
310.23672	1.5
328.07980	30.5
328.13705	1.2
328.18896	1.6
328.25058	4.9
329.08282	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	328.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.6
55.01865	8.4
55.05507	57.9
56.96563	3.5
57.07064	12.0
63.00287	2.6
66.75382	2.6
67.05508	28.5
69.03423	5.1
69.07061	76.1
70.04072	7.9
70.07846	5.8
70.73179	9.4
74.06068	6.6
79.05492	34.4
81.07061	32.0
83.04969	5.1
83.08614	40.5
91.05472	19.5
93.07043	18.5
95.04968	6.7
95.08592	14.9
97.06532	3.4
97.10165	70.2
98.98460	88.1
105.07040	27.0
107.04965	9.7
107.08585	83.3
108.10469	2.8
109.06501	3.9
109.10123	6.3
115.07545	6.4
117.06970	3.7
119.08576	13.0
121.10142	8.3
125.09616	62.0
131.08578	7.9
132.96030	4.1
133.10107	10.0
135.08034	6.6
135.11693	6.4
143.10681	3.8
145.10141	13.3
147.11693	6.7
149.09650	15.4
153.09077	3.4
159.11638	6.5
160.95544	16.4
161.13246	4.0
163.11215	7.4
171.10117	6.6
171.76389	2.7
173.13213	3.0
174.97121	4.0
174.99179	8.7
175.11250	2.7
177.12788	2.9
179.14325	4.5
179.60469	2.6
181.12216	4.0
189.11201	87.3
190.95386	8.4
193.84555	3.0
208.96481	7.9
217.90997	2.7
231.03381	27.3
232.96439	5.4
239.17955	3.8
257.18942	15.1
275.20053	100.0
278.11084	3.1
293.21109	7.4
328.06110	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	328.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52744	1.5
57.03412	1.8
57.07070	3.9
57.63786	1.2
59.99618	1.2
59.99980	1.3
69.03416	3.2
70.06588	8.3
70.97482	3.9
72.08153	2.5
73.02924	1.4
75.63024	1.2
75.72742	1.2
81.07028	1.6
84.04490	1.5
84.08138	4.8
85.02903	5.2
85.06542	2.6
85.39016	1.3
95.06080	4.7
97.02888	7.1
98.76656	1.5
98.98471	100.0
99.04472	3.2
107.04971	5.0
109.02853	1.4
109.05110	1.5
110.07170	2.0
113.05998	5.7
116.99502	4.3
126.07725	2.5
127.03928	5.2
129.10223	2.7
133.05244	2.8
136.06215	7.5
145.04964	1.6
148.07594	12.1
149.95586	1.2
150.07784	1.3
152.09305	2.4
166.08678	13.6
174.99232	5.4
176.98906	2.1
178.07251	3.1
196.08286	3.3
221.06561	2.0
225.15953	3.6
275.11121	1.4
284.23355	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	328.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.01865	1.9
56.96550	2.9
57.03426	5.0
57.07073	13.0
58.51955	1.2
60.04543	2.7
61.02942	1.9
67.05502	6.3
69.03433	6.8
69.07072	14.3
70.06614	9.0
70.07852	1.9
70.80274	3.7
71.04983	1.2
72.08150	2.0
73.02902	3.0
81.03416	4.3
84.04504	3.8
84.08128	2.4
85.02916	13.3
85.06541	6.2
86.06074	2.6
87.04463	1.9
90.12881	1.3
90.16374	1.3
92.23161	1.4
95.04957	6.3
95.06055	6.9
97.02890	23.5
98.06064	2.0
98.98462	100.0
99.04449	8.1
103.07572	15.6
104.07127	1.4
107.04953	14.0
108.05263	1.5
109.02876	5.3
110.07192	2.1
113.05993	24.2
115.07582	4.4
116.98675	2.1
116.99496	4.6
123.04414	8.2
127.03934	9.9
129.10226	2.6
129.11229	1.3
130.05046	1.6
131.07001	1.5
132.96071	3.5
136.06143	2.4
145.04974	7.9
148.03969	1.6
148.07549	8.7
149.08112	4.8
156.07741	1.8
160.95552	7.7
162.97028	1.6
166.08604	8.6
167.10443	1.5
174.99251	6.5
176.46632	1.6
176.98920	2.3
186.07605	1.6
204.08716	3.6
206.10278	6.5
221.06581	10.2
225.15991	5.8
231.03368	15.2
237.02875	2.5
252.13351	3.2
257.10248	4.4
275.11279	6.8
284.23306	3.7
293.12393	1.7
328.06021	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.05508	39.0
58.99568	2.5
62.30754	0.7
67.05476	1.2
69.33781	5.2
69.34204	2.8
70.06580	3.5
72.08147	4.3
76.02211	0.9
79.05488	2.6
80.04998	1.1
81.03409	2.4
81.07063	2.1
83.08613	83.2
84.08128	0.8
84.08955	1.3
86.09697	1.1
86.99035	4.2
87.24559	0.7
91.05460	1.7
93.07047	1.4
95.04972	2.3
95.08630	1.1
98.09676	0.9
98.98458	16.5
101.09647	13.3
101.10255	1.3
105.00079	7.0
105.07034	1.0
107.04949	100.0
108.08131	0.9
118.08671	1.1
121.06519	1.0
122.02789	0.9
159.08305	1.7
163.11340	0.9
170.02650	0.9
174.99159	0.8
187.07907	1.1
193.12216	2.3
205.08925	51.2
206.09160	1.2
211.13202	1.5
222.11583	30.6
236.20319	0.7
238.18025	2.6
256.19125	2.3
282.20636	1.7
284.18521	1.4
328.16464	0.7
328.21164	4.4
328.51645	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.7
54.84741	0.6
55.05507	39.5
57.07048	1.1
58.99563	2.3
67.05499	1.1
69.07072	3.9
70.06579	3.3
71.59792	0.9
72.08159	4.6
79.05481	2.5
81.03416	1.7
81.07048	1.5
83.04951	0.9
83.08614	73.9
84.08154	1.2
84.08967	0.7
84.73336	0.7
84.79718	0.6
86.06024	0.8
86.09695	1.4
86.99031	3.6
88.04006	0.7
91.05490	1.4
93.07016	1.2
95.04974	1.6
98.97858	0.5
98.98461	14.9
101.09653	15.7
105.00096	5.1
105.07051	0.8
107.04948	100.0
108.05273	1.6
109.07671	0.7
116.99570	0.7
118.08683	0.9
119.08535	0.9
121.06518	0.8
121.10130	0.8
122.02694	1.3
131.92810	0.6
149.09689	0.7
159.08371	1.8
160.95619	1.5
174.99149	1.0
184.13420	0.8
187.07912	1.3
193.12332	1.5
205.08931	48.9
211.13326	2.1
215.13828	0.8
222.11580	30.6
231.03453	1.7
238.17989	3.3
256.19113	2.0
282.20660	2.5
284.18524	1.8
310.20065	0.7
328.05457	1.3
328.21136	2.8
329.06415	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.2
56.96550	1.8
57.03425	2.6
57.07060	4.3
60.59585	1.3
65.78980	1.5
67.05508	1.5
69.03440	8.9
69.07063	14.7
69.62238	11.4
70.06585	6.0
72.08146	1.7
74.06080	1.8
77.85287	1.4
79.05482	2.4
81.03407	4.0
84.04514	1.5
84.08144	2.0
85.02899	10.0
86.09679	1.6
87.03206	6.5
87.04440	2.8
91.05476	13.7
93.07014	1.7
95.04900	2.4
95.06078	2.0
96.73227	1.6
97.02882	11.3
98.98459	100.0
99.04453	2.5
103.05466	7.6
104.32108	1.5
105.07030	8.0
107.04951	11.6
110.07217	2.0
112.03932	5.8
115.05460	2.0
115.07536	3.5
116.99493	6.6
117.06998	3.2
120.08106	45.0
121.06474	2.4
123.04417	3.5
127.03960	7.5
129.07002	3.1
130.06526	6.5
131.04955	4.6
132.08086	35.6
132.96022	1.7
134.09624	1.7
143.05780	6.1
144.06561	2.1
144.08101	7.3
145.04948	1.8
148.07489	1.6
148.11128	1.8
156.08078	2.9
160.95576	9.1
161.06786	3.4
162.09132	4.2
164.06982	1.5
166.08644	19.2
171.07993	3.4
174.09149	1.5
174.97104	3.8
174.99188	8.0
177.96411	1.7
178.08614	8.1
182.41086	1.3
186.09067	1.9
198.09155	3.5
204.08629	2.6
228.10342	1.5
231.03412	14.7
238.46687	1.6
244.09697	6.6
246.11317	5.9
264.12317	23.5
282.13345	3.0
292.11761	37.0
310.12860	56.8
311.13089	2.4
328.06122	5.0
328.13443	2.2
328.17511	1.8
343.50314	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.01849	1.6
55.05496	1.1
56.96547	0.9
57.07068	0.9
57.43356	0.4
65.03931	0.4
67.05476	1.8
69.03403	1.0
69.07064	2.4
69.85757	0.4
70.04060	0.7
71.04961	0.6
71.60004	0.5
72.08135	1.0
79.05470	1.8
80.05000	1.1
81.03394	0.4
81.07030	1.3
83.08602	0.4
85.02898	0.5
85.06499	0.4
91.05483	2.4
93.07021	1.2
95.04948	1.3
95.08585	1.2
98.98460	16.4
101.96571	0.4
103.05442	0.6
105.07012	1.3
106.07230	0.4
107.04949	20.5
107.08536	0.7
109.10114	0.8
111.08083	0.4
115.05457	0.5
115.07542	0.7
116.98610	0.6
116.99434	0.6
118.06482	1.3
119.04915	1.2
121.06483	3.5
124.07562	1.1
124.99431	0.4
130.06514	2.0
130.93199	0.4
131.04932	0.5
131.08527	0.5
132.96065	0.4
141.06941	1.6
153.06985	4.8
155.08534	5.6
160.94246	0.4
160.95517	0.7
165.06993	20.3
166.07346	0.7
167.08516	0.5
169.06458	1.6
173.11839	0.5
174.97701	0.4
174.99208	1.6
176.99013	0.5
178.07782	0.6
179.08511	1.3
180.08005	0.6
181.06468	1.1
182.07234	0.8
183.08044	21.2
184.08403	0.5
189.07072	2.4
190.95386	1.7
191.05644	0.5
191.07288	7.0
192.08043	2.0
193.06363	3.1
194.07260	1.4
194.09621	1.0
197.05952	3.4
200.10667	1.1
204.08090	4.8
205.08858	5.5
206.09642	38.3
207.08035	2.4
207.10008	1.8
208.96443	1.4
209.08139	0.5
210.06728	1.2
211.07530	45.2
212.07823	1.4
216.08075	6.6
217.08876	9.0
218.09454	1.5
220.07558	16.5
221.08278	5.7
222.09108	12.7
229.07478	0.7
231.03357	1.9
232.07420	0.8
232.96382	1.2
233.08333	15.1
234.09117	90.5
235.07457	1.9
235.09680	7.9
236.08220	0.5
236.16342	0.7
248.07185	0.5
250.97388	0.9
259.09866	1.1
265.10080	0.6
267.10638	0.6
270.09070	1.1
272.10602	0.8
280.23557	0.4
284.10596	1.0
285.10461	0.9
286.11868	0.4
291.10516	0.5
292.11395	0.5
292.19775	0.4
296.62909	0.4
298.12152	0.4
308.11044	0.4
309.11411	2.1
310.12216	3.6
312.10123	1.2
313.11005	0.7
326.11731	2.5
327.12405	0.9
328.13290	100.0
329.13657	7.5
341.35400	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.0
53.45509	1.1
55.01864	1.7
55.05506	15.3
56.96555	3.8
57.03430	4.6
57.07073	14.5
63.44389	1.2
65.03946	1.7
65.48182	1.1
67.05502	20.7
69.03419	2.2
69.07066	34.9
69.71215	5.4
69.71636	3.4
70.04078	3.8
70.07851	2.4
71.04987	3.1
71.08649	2.3
79.05492	15.2
81.03401	3.5
81.07054	30.3
81.54743	1.3
83.04966	3.9
83.08616	11.9
85.06528	3.8
89.06012	2.1
90.69186	1.4
91.05476	22.8
93.07037	37.6
95.04963	34.3
95.08604	35.2
97.06522	9.5
97.10175	3.4
98.98460	100.0
99.08072	1.7
103.05478	1.8
105.07034	30.5
107.04938	3.4
107.08591	17.2
109.06531	7.7
109.10156	15.1
111.11690	2.1
112.34322	1.2
115.05445	1.4
115.07551	6.0
116.06249	1.4
116.99496	5.6
117.07012	7.3
119.08575	32.5
121.06506	7.6
121.10132	16.4
123.08046	6.6
123.11720	5.2
128.06206	2.8
129.06989	4.5
130.07764	2.8
131.08545	13.1
132.96078	3.1
133.06471	1.7
133.10126	26.0
135.08049	4.7
135.11682	6.5
137.09602	3.1
139.11176	1.4
140.01115	1.7
141.06941	1.4
142.07780	6.5
143.08565	9.5
144.09364	2.5
145.10120	16.2
147.11694	6.5
149.09650	2.7
149.13210	1.6
151.11223	3.4
154.07797	1.9
155.08562	3.8
156.09354	4.0
157.10126	14.9
158.10912	2.6
159.08055	2.3
159.11673	17.9
160.95560	11.1
161.09534	6.5
161.13257	3.1
167.08659	1.9
169.10124	4.7
171.11687	7.6
172.12550	1.4
173.13232	8.0
174.97179	4.0
174.99240	13.3
175.14838	10.4
179.08601	2.6
181.10155	3.4
183.11699	7.0
185.13239	4.3
187.11151	3.1
187.14839	6.9
189.16360	2.5
190.95348	2.9
193.10219	2.1
195.11694	1.9
196.12515	1.9
197.13165	6.2
199.14798	5.4
201.12779	1.5
203.14386	2.2
205.10022	1.7
206.10980	1.4
207.11613	2.1
208.96463	1.6
209.13284	4.1
211.14865	6.1
213.16368	1.9
217.15813	1.6
217.19336	2.1
221.13231	2.0
223.14801	2.8
225.16377	2.6
227.14337	1.6
231.03384	18.3
232.96298	2.4
235.14810	2.0
249.16341	2.6
250.97563	2.4
251.18059	1.5
253.15761	1.4
291.21011	2.4
309.22070	2.9
327.07999	2.3
327.25943	12.0
328.06216	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	327.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.2
55.01860	6.2
55.05510	19.1
57.03427	9.3
57.07067	8.1
62.06082	6.3
67.05508	33.9
69.03420	8.6
69.06774	3.3
69.07066	38.5
69.29683	2.9
69.77271	9.2
69.77701	9.9
70.07858	3.8
71.04987	32.9
72.58128	3.3
75.20701	2.9
79.05496	28.3
81.03414	4.0
81.07062	28.0
83.04983	5.3
83.08630	5.9
89.06044	15.9
91.05479	44.4
93.07043	84.6
95.04968	67.5
95.08604	94.1
97.06508	10.4
98.98464	85.8
105.07025	88.0
107.04926	3.8
107.08598	70.7
109.06525	21.4
109.10140	12.4
115.05427	7.6
115.07603	4.2
116.99476	4.1
117.07032	30.0
119.08572	31.2
121.06515	17.7
121.10148	26.2
123.08045	19.0
123.11723	6.1
129.07028	3.6
130.07800	21.6
131.08572	10.5
133.08601	8.7
133.10109	13.5
135.08044	44.5
135.11690	23.2
137.09628	5.8
143.08540	10.6
145.10112	98.0
147.08009	3.6
147.11699	8.6
149.09615	11.4
157.10100	11.8
159.07991	4.8
159.11682	9.9
160.95509	9.8
161.09561	4.8
161.13251	4.8
163.11188	77.1
164.11620	3.2
165.12715	5.5
169.10155	5.4
171.11633	5.1
173.09657	4.8
173.13121	3.6
174.99216	6.9
175.14830	4.2
183.11678	7.0
187.11192	7.8
191.14316	31.6
193.15884	9.1
197.13280	5.4
199.14856	3.8
205.15854	47.9
211.14828	4.5
217.15866	12.3
221.17731	3.4
228.97546	2.9
231.03355	14.1
247.16862	9.5
251.17957	3.3
270.19678	6.1
283.20673	3.9
284.77063	3.3
296.37207	3.3
309.22098	7.0
325.96283	3.0
327.07632	3.0
327.23151	100.0
328.06119	8.0
328.23557	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81075	2.8
53.03948	5.4
55.01866	6.4
55.05505	24.0
57.03427	15.3
57.07064	13.2
57.25122	2.5
60.04516	3.2
60.79993	2.6
66.42550	2.6
67.05498	31.7
69.03416	11.0
69.06715	3.7
69.07059	37.0
69.39807	2.4
70.74128	9.0
71.04974	23.4
79.05490	28.3
81.07054	31.9
83.04976	4.5
83.08614	7.9
89.06020	11.2
91.05476	37.8
93.07038	80.3
95.04960	53.3
95.08597	97.4
97.06506	8.0
98.98455	98.2
105.07017	97.9
107.04978	5.8
107.08581	67.5
109.06517	13.9
109.10133	11.0
113.09608	3.9
115.05441	7.1
115.07595	3.3
116.99506	5.0
117.07002	33.6
119.08567	27.1
121.06490	18.1
121.10133	20.4
123.08051	18.1
123.11697	8.6
125.83629	3.2
129.07018	6.1
130.07790	21.2
131.08574	7.1
133.08607	5.0
133.10106	17.1
135.08038	49.2
135.11662	28.0
137.09540	2.8
140.01181	2.9
142.07761	4.7
143.08559	11.0
145.10109	98.2
147.07974	3.8
147.11705	10.0
148.08731	2.8
149.09576	11.1
157.10129	6.5
159.08090	5.6
159.11717	9.7
160.95593	6.3
161.09633	4.7
161.13342	4.8
163.11166	74.9
165.12740	10.5
169.10059	4.5
171.11647	3.8
173.09645	5.2
173.13219	4.3
174.99240	12.7
175.11256	3.4
175.14883	4.1
185.13277	4.0
187.11166	6.2
187.14955	5.1
191.14285	30.4
193.15862	10.4
197.13255	4.2
201.12776	3.2
205.15854	48.4
213.12692	4.5
217.15916	9.7
223.14859	2.8
231.03360	10.6
247.16919	12.1
258.19757	3.5
270.19818	8.1
289.30606	3.2
298.50842	3.0
309.22147	6.5
312.02808	2.9
327.07706	11.7
327.23184	100.0
327.28787	12.2
328.06088	3.0
328.23416	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	327.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.1
55.01870	3.9
55.05506	16.2
57.03434	3.8
57.07070	17.4
64.01549	2.3
67.05495	37.1
67.05833	4.1
69.03417	3.3
69.07065	39.5
70.11033	10.9
71.04995	2.7
79.05483	28.7
81.03418	5.8
81.07048	43.0
83.04951	4.2
83.08611	7.5
85.06542	6.2
91.05474	67.2
92.05844	3.1
93.07034	100.0
93.07626	5.2
95.04956	96.6
95.08595	66.1
97.06519	19.2
98.20741	3.5
98.98454	43.6
103.05464	3.0
105.07020	83.9
107.04967	3.8
107.08584	48.7
109.06511	16.1
109.10155	25.4
115.05453	8.3
115.07566	6.4
117.07005	28.4
119.08569	82.7
121.06488	23.2
121.10120	37.0
123.08046	16.2
123.11685	10.9
128.06232	8.9
129.06973	12.1
130.07773	7.5
131.08557	38.0
132.96042	5.0
133.06476	5.3
133.10126	55.9
135.08066	11.0
135.11639	13.3
137.09587	3.3
139.11165	3.2
141.06963	4.5
142.07797	14.7
143.08548	26.2
144.09317	9.8
145.10109	54.9
147.08038	2.8
147.11655	18.6
149.09595	7.3
149.13243	3.8
151.11075	3.3
154.07726	3.4
155.08536	8.4
156.09373	10.4
157.10112	37.6
158.10872	6.4
159.08023	4.1
159.11679	49.7
160.95528	10.9
161.09602	15.5
161.13237	10.5
163.11194	4.8
163.14867	4.5
165.07034	5.0
166.07683	3.3
167.08534	6.3
168.09387	3.2
169.10086	18.9
170.10846	4.9
171.11699	24.8
172.12462	3.2
173.09624	3.4
173.13248	19.2
174.97116	3.9
174.99203	5.5
175.11208	2.6
175.14790	20.9
179.08592	6.2
179.10692	2.9
180.09268	3.1
181.10095	7.7
182.10927	4.7
183.11720	13.9
184.12428	4.2
185.13254	11.0
187.11200	9.4
187.14801	20.3
189.12701	5.0
189.16394	3.5
193.10141	7.4
194.10938	3.1
195.11665	6.3
197.13199	13.0
198.13948	2.7
199.11549	2.1
199.14844	15.2
201.12741	3.8
201.16469	3.7
203.14304	3.4
205.26431	2.5
207.11717	6.8
208.12488	2.8
209.13223	11.3
210.14079	2.8
211.14720	12.2
213.16385	5.1
215.14313	5.1
217.15883	8.3
221.13188	5.3
223.14728	4.1
225.16359	7.4
227.14319	4.2
229.15895	2.8
231.03392	24.4
235.14841	6.5
239.18037	4.0
251.56326	2.3
253.15790	2.9
253.19431	2.7
257.19025	2.7
265.19763	2.6
291.21100	4.7
308.24194	2.4
309.22052	13.1
327.23141	24.1
328.06137	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	327.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78669	2.9
53.03943	6.4
55.01873	4.7
55.05505	19.0
57.03418	6.0
57.07067	10.5
59.04990	2.8
60.52266	2.6
65.03936	5.1
67.05500	43.7
69.03402	3.8
69.07058	28.4
70.06386	14.1
71.04996	4.9
76.97418	3.0
79.05488	33.8
81.03412	5.7
81.07054	44.1
83.04945	3.4
83.08602	9.6
85.06551	7.0
91.05476	46.5
93.06564	1.7
93.07033	99.2
95.04960	100.0
95.07970	4.1
95.08597	81.2
97.06499	21.2
98.98456	31.5
103.05451	3.5
105.07016	75.5
107.08591	53.0
109.06506	14.2
109.10152	33.2
115.05464	7.1
116.15894	2.7
116.99415	3.4
117.06976	25.7
119.08570	81.5
121.06479	19.7
121.10129	45.1
123.08042	19.5
123.11708	10.6
128.06206	13.2
129.06973	16.2
130.07773	9.5
131.08551	40.7
132.96135	3.0
133.10124	65.4
135.08051	14.3
135.11682	12.1
137.09628	5.1
141.06955	6.1
142.07773	17.3
143.08548	32.7
144.09319	6.2
145.06575	3.2
145.10106	54.3
147.08057	7.9
147.11630	17.4
149.09653	5.0
149.13280	4.5
153.06972	3.2
155.08525	9.1
156.09344	10.1
157.10106	49.9
157.46103	2.8
158.10950	5.9
159.08025	5.9
159.11674	51.7
161.09605	17.3
161.13286	6.2
163.14825	3.5
167.08600	6.4
168.09364	6.2
169.10077	20.9
170.10933	4.3
171.11676	27.3
172.12393	3.9
173.09593	7.1
173.13242	22.8
174.99207	3.8
175.11185	5.2
175.14787	23.6
177.12834	3.4
179.08548	5.9
181.10165	7.5
182.10863	4.8
183.11696	15.7
184.12471	5.3
185.13255	10.6
186.89212	3.1
187.11163	9.1
187.14810	21.9
189.12987	2.7
189.16338	6.8
193.10117	6.0
194.10875	4.5
195.11649	7.6
196.12498	5.3
197.13234	14.1
199.14828	18.2
201.16397	8.9
205.15778	5.1
206.10895	3.7
207.11668	6.0
209.13271	12.1
211.14813	9.5
213.16412	4.9
215.14203	5.2
221.13263	8.3
223.14862	6.7
225.16408	8.2
227.14360	3.2
229.15871	3.3
231.03439	8.2
235.14801	5.9
239.17950	4.7
253.15961	4.2
291.21210	4.3
299.90781	3.0
309.22147	9.8
327.07797	7.2
327.22955	19.9
328.05997	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	327.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
54.58984	1.1
55.01863	2.3
55.05505	9.1
56.05041	1.2
56.96553	2.5
57.03431	11.5
57.07054	3.8
65.03918	3.3
67.05501	16.1
69.03410	2.7
69.07062	9.6
70.04071	16.1
70.30161	2.8
71.01335	1.4
71.03725	1.2
71.04972	4.6
73.08482	1.2
76.79327	1.2
79.05490	17.5
81.03394	4.3
81.07052	22.7
83.04958	4.0
83.08607	4.2
83.90451	1.2
85.02888	1.8
85.06544	3.5
91.05466	13.8
92.26090	1.3
93.07040	14.9
95.04973	5.7
95.08601	11.4
97.06513	5.6
97.10152	3.5
98.00043	1.2
98.20838	2.0
98.98457	100.0
99.04420	1.6
99.08085	11.5
100.05073	1.8
105.07036	10.9
107.04939	3.1
107.08596	12.2
108.08147	1.6
108.51936	1.2
109.06509	5.5
109.10129	6.1
111.08086	1.7
113.05965	1.8
116.98650	1.1
116.99493	4.4
117.07003	4.7
119.08573	8.6
121.06506	4.0
121.10125	7.0
121.58349	1.3
123.04453	1.4
123.08067	4.1
125.09668	1.9
129.06987	4.2
131.08569	6.3
133.10078	7.3
135.08066	4.9
135.11665	3.1
137.05968	1.7
137.09615	3.4
143.08548	3.6
145.10107	5.2
147.08043	2.0
147.11690	3.9
148.03947	6.8
149.09645	2.3
151.11169	1.6
156.84892	1.4
157.10127	3.9
159.11629	3.0
161.09633	3.3
163.11176	1.8
166.04922	8.2
169.10139	1.6
171.11662	3.5
173.11789	1.5
173.13249	3.1
174.99203	13.1
175.11137	2.0
175.14807	3.1
179.10667	1.8
183.11591	1.3
185.13284	2.6
190.95399	2.9
192.29149	1.5
193.12294	2.2
199.14760	2.3
203.14311	1.6
207.13759	1.8
208.54213	1.4
208.96408	2.8
217.15898	3.3
221.15356	9.8
229.07339	1.6
232.96497	3.5
245.19000	1.9
247.08582	2.3
248.78067	1.2
255.17447	2.2
257.12753	1.7
263.20078	2.3
271.99850	1.5
273.12814	1.9
273.18445	7.5
285.12289	3.3
285.15466	1.7
291.19495	13.2
309.20636	5.7
327.04709	2.7
327.08191	1.9
327.15695	1.3
327.19482	1.6
327.23181	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	327.2166
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
50.80402	1.4
51.06340	1.7
53.03940	2.3
55.01860	3.2
55.05512	19.2
56.96572	4.3
57.03429	10.4
57.07074	4.2
59.31791	1.6
63.43011	1.4
67.05503	19.5
69.03449	3.8
69.07067	21.3
70.06602	2.1
70.31211	5.6
71.04994	5.9
72.08128	1.6
79.05492	16.9
81.03429	6.1
81.07058	28.4
81.35271	1.9
83.04971	3.6
83.08617	12.2
85.06522	2.7
89.06023	3.3
91.05482	10.1
93.07039	16.3
95.04976	11.5
95.08601	23.0
97.06521	7.7
97.10172	17.6
98.98466	100.0
99.08086	8.9
103.05442	1.8
105.07037	13.2
107.04961	7.6
107.08591	14.1
109.06501	4.6
109.10160	7.8
111.08085	2.8
115.07566	6.9
116.98763	2.0
116.99514	8.1
117.07024	4.3
119.08570	10.7
121.06490	14.6
121.10145	6.6
123.08044	17.1
123.11713	3.4
123.17494	1.6
125.09657	13.1
131.08585	6.3
133.06479	1.6
133.10152	4.6
135.08025	3.6
135.11717	2.2
137.06015	1.7
137.09621	2.7
140.01137	1.9
141.09077	3.0
142.07870	1.8
143.08603	3.5
145.10123	6.5
147.08116	3.5
147.11702	3.2
149.09642	2.7
149.13156	2.1
155.08604	1.8
157.10110	2.1
159.11639	2.3
160.95573	4.3
161.09679	3.5
165.06987	3.4
165.09140	1.8
167.10576	2.0
171.11661	1.8
174.99239	9.0
181.12337	2.3
189.11223	12.8
193.12285	2.2
197.93948	1.8
200.10762	3.9
206.09633	3.3
208.96439	1.8
211.07516	3.4
221.15359	8.0
231.03372	10.9
232.96404	2.2
233.08356	2.0
234.09128	7.4
255.17506	2.1
259.13937	2.5
263.20026	2.4
273.18466	16.0
285.15491	4.3
291.19537	23.9
309.20563	5.0
327.04980	2.7
327.19180	2.0
327.23074	3.1
328.06125	6.7
328.13312	5.3
328.19138	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	327.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46378	1.8
51.86082	2.1
53.03932	4.5
54.23451	2.0
55.01861	9.1
55.05506	53.1
56.96556	3.7
57.03426	7.3
57.07064	4.4
59.04988	4.0
59.47110	2.0
59.47952	2.1
61.25480	1.8
67.05501	36.0
68.05870	2.0
69.03411	8.8
69.07073	14.3
70.22614	6.0
70.23010	5.0
71.04983	4.8
79.05485	26.1
81.03394	7.3
81.07051	35.5
83.04955	15.8
83.08612	26.7
85.02899	4.1
85.06522	5.2
89.06059	2.6
91.05478	20.8
93.07042	39.3
95.04959	38.7
95.08602	37.8
97.06537	12.5
97.07044	2.4
97.10165	44.1
98.98459	87.7
105.07034	18.9
107.04917	8.0
107.08594	21.6
107.28975	2.3
109.06490	10.5
109.10143	9.5
111.08073	4.3
113.06007	3.5
116.99461	4.7
117.07011	5.2
119.08585	13.1
121.06485	4.3
121.10140	15.0
121.25391	2.1
123.08062	100.0
123.11700	12.8
125.08750	2.8
125.09629	38.9
129.06998	3.7
131.08549	7.2
133.10133	12.9
135.08061	6.2
135.11679	3.1
137.09647	10.9
139.11177	3.9
141.09113	2.1
143.08551	3.9
145.06483	2.3
145.10097	8.0
147.08072	4.2
147.11702	4.2
149.09624	5.7
151.11133	3.7
153.09137	3.2
155.10623	2.8
157.10107	5.0
159.11649	4.2
161.09587	3.5
163.11171	4.6
165.09106	14.8
169.12259	11.0
171.10153	3.1
171.11658	3.4
173.13211	2.1
174.99208	13.2
175.11092	4.0
187.13318	15.8
189.11221	35.1
190.95340	2.9
206.09630	3.6
211.07570	4.0
211.13251	4.2
223.13219	5.9
231.03435	2.8
233.08093	2.6
234.09116	9.4
245.19066	3.4
249.18408	2.4
255.17339	5.3
263.19992	5.0
270.48871	2.0
273.18509	42.1
273.53622	2.4
291.19540	64.8
292.20068	2.9
295.82797	2.2
309.20502	16.8
327.20056	3.7
328.13364	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	327.2161
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
54.13625	0.8
55.01852	1.2
55.05508	4.3
57.03425	1.3
67.05504	6.5
69.07065	3.7
69.74265	4.8
70.06578	1.3
71.04993	2.2
71.08621	3.7
79.05486	5.0
81.03401	1.1
81.07046	5.6
82.08596	0.8
83.08611	1.7
85.06531	0.9
91.05470	3.8
93.07025	4.4
95.04967	2.7
95.08603	6.4
97.06525	1.5
97.10130	1.2
98.98459	100.0
99.08088	2.6
105.07024	4.3
107.04942	3.2
107.08583	2.5
109.06504	1.6
109.10149	2.4
116.99493	4.4
117.07075	1.3
121.06459	1.3
121.10139	1.7
123.08064	1.8
125.09613	1.7
131.08571	4.6
133.06483	3.2
133.10115	1.1
135.08075	1.1
137.09607	1.4
141.12700	4.1
143.07048	1.8
145.10124	1.2
147.11697	1.6
149.09627	2.2
151.11104	0.9
155.10684	0.8
157.10164	1.1
159.08073	1.0
163.07542	1.2
165.09183	0.9
169.12212	2.6
174.99211	9.8
175.11203	1.1
177.09082	5.2
191.93300	0.7
195.10164	1.5
195.13974	1.1
207.13756	1.0
245.18881	1.0
251.00069	1.2
267.10007	0.8
271.12024	1.0
273.18451	2.8
275.20026	1.3
291.19479	8.5
309.20831	1.0
327.12000	0.9
327.23077	2.1
340.36401	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	0.4
63.73883	0.3
69.07060	1.2
70.06585	3.0
70.20092	1.2
72.08150	0.8
73.06558	1.2
79.05468	0.5
81.07069	0.3
84.08151	0.5
85.02894	0.3
86.09695	0.8
87.04468	3.2
89.06027	100.0
90.06364	0.7
91.05460	0.5
91.07573	0.5
95.04967	0.6
98.98461	16.6
107.04951	22.2
107.07045	4.9
108.05289	0.8
110.07150	0.5
115.07560	0.3
116.07119	0.3
116.99492	0.8
120.08024	0.4
130.06517	7.2
130.08662	0.6
131.06984	0.9
132.04437	2.3
133.08595	45.2
134.08937	0.6
137.05896	0.5
140.48149	0.3
148.07570	0.6
151.09631	0.7
157.07602	5.9
158.06015	5.6
158.07968	0.3
159.06374	0.4
159.09190	0.5
160.95509	0.4
174.99280	2.0
175.07135	0.4
175.08649	8.7
176.08978	0.5
177.11209	8.4
195.12352	0.8
203.08145	11.0
204.06631	0.3
204.08444	0.4
208.02666	0.3
215.13850	0.4
221.09190	7.2
221.13841	0.3
222.09525	0.4
231.03392	0.8
239.14842	1.0
251.00073	0.3
283.17413	0.7
327.04968	0.3
327.13797	0.4
327.20071	2.3
328.06329	0.3
345.13065	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16395	0.4
61.94725	0.4
62.97386	0.3
70.06570	0.4
73.06551	1.3
87.04456	2.2
89.06020	100.0
90.06367	0.5
90.46812	0.4
91.07632	0.4
98.98459	4.9
107.04943	3.2
107.07056	2.4
130.06543	1.1
130.08733	0.4
131.07030	0.5
132.04411	0.5
133.08585	42.3
134.08942	0.5
157.07578	1.1
158.05991	0.9
174.99324	0.7
175.08665	1.1
177.11192	7.6
195.12245	0.5
203.08182	1.6
221.09271	1.1
229.31900	0.5
239.14864	0.9
260.29449	0.4
283.17569	0.9
301.31012	0.4
327.20111	2.5
347.06519	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	0.4
63.73883	0.3
69.07060	1.2
70.06585	3.0
70.20092	1.2
72.08150	0.8
73.06558	1.2
79.05468	0.5
81.07069	0.3
84.08151	0.5
85.02894	0.3
86.09695	0.8
87.04468	3.2
89.06027	100.0
90.06364	0.7
91.05460	0.5
91.07573	0.5
95.04967	0.6
98.98461	16.6
107.04951	22.2
107.07045	4.9
108.05289	0.8
110.07150	0.5
115.07560	0.3
116.07119	0.3
116.99492	0.8
120.08024	0.4
130.06517	7.2
130.08662	0.6
131.06984	0.9
132.04437	2.3
133.08595	45.2
134.08937	0.6
137.05896	0.5
140.48149	0.3
148.07570	0.6
151.09631	0.7
157.07602	5.9
158.06015	5.6
158.07968	0.3
159.06374	0.4
159.09190	0.5
160.95509	0.4
174.99280	2.0
175.07135	0.4
175.08649	8.7
176.08978	0.5
177.11209	8.4
195.12352	0.8
203.08145	11.0
204.06631	0.3
204.08444	0.4
208.02666	0.3
215.13850	0.4
221.09190	7.2
221.13841	0.3
222.09525	0.4
231.03392	0.8
239.14842	1.0
251.00073	0.3
283.17413	0.7
327.04968	0.3
327.13797	0.4
327.20071	2.3
328.06329	0.3
345.13065	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.7
57.03437	0.7
57.07077	0.8
58.73315	0.4
59.05003	0.7
67.05495	3.2
69.03416	4.1
69.07064	2.7
70.06592	7.1
71.10078	0.6
71.10406	0.8
72.08158	3.3
72.92623	0.5
76.77661	0.4
79.05489	2.0
81.07055	3.7
83.04962	2.3
84.08121	0.6
85.06535	0.8
86.09705	1.2
87.00810	0.9
91.05486	2.3
93.07039	8.5
95.04947	2.1
95.08600	4.8
97.06522	1.6
97.10175	0.4
98.98463	100.0
99.08088	0.6
101.06052	0.6
103.05491	0.5
105.07039	1.9
107.04936	2.7
107.08570	2.5
109.06509	1.8
109.10155	1.5
111.04364	0.5
111.08070	2.9
116.99499	3.8
117.07082	0.5
119.08606	1.6
120.08073	0.4
121.06516	2.0
121.10168	1.2
122.06085	0.5
123.08026	1.1
125.05953	0.5
125.09648	0.5
129.05472	1.2
129.09166	0.7
129.70044	0.4
131.08562	0.5
133.10115	1.6
135.11716	2.2
137.05981	1.2
137.09627	0.8
139.07523	3.0
140.01080	1.0
143.07036	0.6
147.11638	0.5
149.05957	1.0
149.09613	0.6
149.13261	0.9
151.10097	0.4
151.11151	2.1
157.08630	0.6
159.11725	1.4
174.99226	9.5
177.12787	2.6
195.13803	4.6
205.12149	0.7
223.13336	1.3
229.11772	0.6
241.14372	7.2
251.00023	1.0
278.17688	0.9
309.13342	3.8
327.14545	2.7
327.17761	58.3
328.18076	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59860	0.4
51.97006	0.5
55.05506	0.7
57.03411	0.6
57.05846	0.5
67.05473	0.7
70.94859	1.2
72.08145	0.6
76.77741	0.4
79.05492	0.5
80.09328	0.5
80.22075	0.5
81.03377	0.4
81.07040	1.0
84.08116	0.7
91.05463	0.8
93.07052	1.2
95.04945	0.6
95.08556	0.5
98.98465	41.6
100.11219	0.5
100.86043	0.5
104.70325	0.4
105.06980	0.6
107.04958	3.3
116.99464	1.6
135.77620	0.4
137.05977	2.0
174.99243	3.9
209.77760	0.5
253.12648	0.5
254.64662	0.5
271.13882	2.0
327.17770	100.0
328.18143	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
55.05501	1.3
56.05040	0.4
56.96565	0.6
57.03432	0.8
65.03938	0.4
67.05502	2.0
68.72350	0.4
69.03425	0.4
69.07057	0.9
69.32589	3.5
70.06599	2.9
70.97274	0.3
71.04961	0.4
72.08144	0.7
77.01608	0.5
79.04199	0.4
79.05504	1.7
81.03439	0.4
81.07061	1.9
83.04954	0.4
83.08621	0.4
84.04510	0.6
84.08140	1.0
85.06561	0.4
86.09713	1.2
91.05473	1.2
93.07034	2.2
95.04969	1.1
95.08607	1.0
98.21502	0.8
98.98469	100.0
100.11264	0.7
104.10754	0.3
105.07036	1.0
105.41890	0.3
107.04957	1.9
107.08594	1.0
109.10158	0.4
111.04429	0.7
114.09148	0.4
116.98676	0.4
116.99503	5.7
119.08579	0.8
120.08111	0.5
121.02878	0.6
121.06504	0.5
121.10106	0.5
125.09625	0.4
129.06996	0.8
131.04926	0.4
131.08571	0.5
133.06091	0.7
133.10117	1.0
135.11708	0.9
136.00908	0.3
137.05969	1.4
137.09590	0.4
140.01071	1.5
149.06052	0.5
149.09575	0.4
151.07489	0.4
163.11230	0.4
174.99231	10.7
184.07370	1.1
189.06807	0.4
234.79420	0.3
235.13174	0.5
241.14374	0.4
249.09245	0.4
251.00072	0.8
254.62636	0.3
271.13992	1.1
273.18695	0.3
277.08658	0.7
291.19449	0.7
309.11191	0.6
327.17786	37.8
328.18054	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72276	0.5
52.49194	0.5
55.01873	1.1
55.05503	1.9
57.03431	1.4
65.69254	0.6
67.05508	2.8
69.03413	0.7
69.07066	1.3
70.06593	1.0
70.84472	1.0
70.84792	1.1
71.05004	0.7
77.01628	0.6
79.05486	1.8
81.07046	3.6
84.04488	0.8
91.05493	2.0
93.07037	2.2
95.08610	2.2
97.06520	1.0
97.10196	1.0
98.98467	100.0
105.07014	1.3
107.04965	2.3
107.08608	1.3
109.01361	0.5
109.06551	0.8
109.10126	0.8
116.99499	3.8
119.08569	1.4
120.08115	1.5
121.10137	0.6
123.08089	1.2
125.09602	1.6
131.08542	0.9
133.10109	0.5
157.03563	0.7
174.99239	10.2
189.11197	0.9
207.08260	0.7
251.00024	1.0
271.13953	1.7
273.18555	1.5
291.19550	4.2
309.07681	0.6
309.20639	0.7
327.17767	83.2
328.18176	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	327.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
55.05500	1.2
56.05039	0.4
56.96575	0.3
57.03423	0.5
65.03952	0.3
67.05496	1.0
67.94665	0.3
69.03442	0.3
69.07063	0.9
70.06591	15.7
71.06918	0.4
72.08152	7.4
77.01629	0.3
79.05489	1.1
81.07059	1.4
82.06525	0.3
83.05001	0.4
83.08617	0.7
84.04489	0.5
84.08139	1.0
86.09698	2.2
91.05477	1.9
93.07048	1.1
95.04951	0.9
95.08589	1.0
98.98464	100.0
102.05535	0.7
103.05447	1.7
105.07021	1.3
106.67072	0.3
107.04948	3.8
107.08600	0.7
108.17957	0.3
109.06527	0.4
109.10197	0.3
110.07185	0.4
111.08083	0.3
115.05438	0.4
116.07101	0.5
116.99516	4.7
117.07034	0.7
119.04958	0.8
119.08595	0.4
121.06452	0.8
121.10190	0.4
123.08068	0.5
126.05519	0.4
129.07018	0.6
131.04924	3.2
133.06500	2.5
135.08043	0.8
135.11690	0.6
137.05978	6.7
139.91463	0.3
140.01086	0.8
145.06476	0.9
145.10130	0.4
147.04436	2.1
147.07977	0.4
149.05988	0.3
151.07571	1.4
157.06487	0.4
161.05902	0.3
163.07530	3.5
169.13338	0.5
173.09619	0.3
174.99231	10.0
177.12756	0.4
189.09108	0.3
197.12801	0.3
201.09314	0.3
201.12373	1.2
217.12247	0.5
221.09343	0.3
229.11833	1.0
229.15497	0.6
241.14268	0.4
251.00090	0.6
251.10599	0.5
263.10648	0.6
291.19437	0.5
295.13306	0.5
297.11188	1.1
309.11166	0.3
326.16928	0.4
327.17749	26.0
328.18225	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1589
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
55.01860	1.4
55.05503	1.2
57.03413	0.8
57.07076	0.6
64.66656	0.4
64.70918	0.5
65.03928	0.5
67.05485	1.6
69.03416	2.3
69.07056	1.5
70.06581	0.9
70.64354	1.5
71.05016	0.4
72.08140	0.4
73.02888	0.7
79.05499	3.9
81.03413	1.2
81.07057	4.1
83.04967	1.1
84.08136	0.7
85.02867	0.6
86.09672	0.6
87.04432	0.7
88.11275	0.5
89.06034	1.3
91.05472	8.2
93.07035	3.8
94.04180	2.5
95.04956	2.1
95.08584	2.1
97.06501	0.8
98.97525	0.7
98.97715	0.7
98.98456	14.2
103.05462	22.1
105.07021	10.4
106.95127	0.5
107.04935	5.9
107.08612	0.9
108.05763	0.6
109.06502	3.1
111.08080	0.7
112.97107	0.4
115.05456	2.0
116.98606	0.8
116.99478	0.7
117.07024	2.3
119.04938	1.8
119.08532	0.6
120.05715	0.6
121.06487	8.0
121.10140	1.2
122.03638	6.6
123.04399	0.7
123.08050	1.6
128.06187	0.7
128.30804	0.4
129.07007	1.0
131.03883	0.6
131.04918	22.8
133.06483	38.3
135.08041	12.2
135.11655	0.6
137.05966	100.0
138.06314	1.4
139.07571	1.1
143.04935	1.8
144.05685	0.8
145.06471	8.8
145.48872	0.5
147.04401	1.9
147.08020	2.3
149.05980	2.7
151.07530	12.9
151.11166	0.7
152.07884	0.6
157.06465	2.9
159.11646	0.7
160.05255	0.5
162.06796	0.7
163.07532	53.2
164.07863	1.1
165.06905	0.6
165.09100	0.8
169.06383	0.5
171.08032	1.8
174.06737	0.5
174.99182	2.3
175.07521	3.6
177.09100	1.4
177.12677	0.8
187.07535	2.0
188.08359	0.8
189.09102	2.7
195.13762	1.7
202.07793	0.7
203.10677	1.7
207.08090	1.0
217.10173	0.8
220.08913	1.4
223.13361	0.6
231.07909	0.6
235.11166	1.8
241.14352	1.9
245.09540	1.3
248.08296	0.7
263.10654	3.7
295.13263	9.0
309.13614	0.5
327.04938	0.6
327.15823	6.5
327.23450	0.6
338.01624	0.6
347.70349	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.2
55.05503	1.5
57.61049	0.7
60.51560	0.5
67.05490	2.2
69.07060	2.3
71.03824	1.4
79.05480	1.4
79.61662	0.6
81.03421	0.8
81.07034	1.9
83.04965	1.0
83.08607	0.9
91.05486	1.9
93.07050	1.1
95.08572	1.3
97.10144	1.0
98.98464	72.2
105.07025	0.6
107.04944	1.1
107.08607	0.6
109.10125	0.6
116.99487	2.3
119.08559	0.8
120.08089	0.9
121.06476	0.8
125.09634	3.5
145.06403	0.6
148.04964	0.7
161.80661	0.6
174.99245	5.5
181.83257	0.7
251.00099	1.0
271.13919	1.5
273.18460	0.8
291.19513	1.6
303.30029	0.6
309.16971	0.9
309.20557	2.0
320.12933	0.6
327.17767	100.0
328.18219	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	327.159
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
53.03943	0.6
55.01869	1.3
55.05494	0.5
65.03951	0.7
67.05498	0.5
68.40995	0.3
69.03441	0.3
69.07055	0.4
69.93250	2.1
70.06577	1.7
72.08153	0.9
79.05493	3.1
81.03387	0.6
81.07040	1.6
84.08122	0.4
86.06058	3.8
87.08119	0.3
89.06025	0.4
91.05479	6.6
93.07046	0.9
94.04184	2.7
95.04954	1.4
95.08589	0.5
98.98463	15.8
102.96987	0.4
103.05463	21.6
104.98497	0.5
105.07030	11.2
107.04279	0.7
107.04948	7.2
109.06515	3.2
115.05496	1.7
115.08707	1.9
116.99489	0.5
117.07016	2.7
119.04934	1.2
119.08611	0.6
120.05695	0.6
120.08138	0.7
121.06501	6.7
122.02834	0.7
122.03652	7.9
123.04453	0.6
123.08064	1.2
128.06213	1.0
129.07004	1.4
131.04922	23.7
133.06485	35.5
134.06827	1.0
135.08049	11.6
135.09117	0.6
136.05231	0.5
137.05969	100.0
138.06317	1.3
143.04900	1.6
144.05682	0.7
145.06476	8.5
147.04407	0.7
147.08061	2.7
147.11655	0.4
149.05949	1.6
151.07539	11.9
157.06496	2.7
161.05963	0.8
162.06810	0.5
163.07539	54.8
164.07835	0.6
166.99992	0.5
171.08023	1.7
172.05217	0.4
174.99207	1.1
175.07471	2.8
175.08804	0.4
177.09081	1.9
187.07510	1.9
188.08264	0.4
189.09007	1.9
194.07339	0.4
202.07710	0.9
203.08318	0.5
203.10684	1.4
205.14352	0.4
207.08003	0.6
211.07690	0.4
217.10126	0.9
219.08043	0.5
220.08791	0.9
221.09268	0.9
235.11098	2.0
236.99022	1.3
245.09575	1.2
247.07585	0.5
248.08304	0.8
250.99925	0.5
253.08641	0.5
255.00034	1.6
263.10681	3.6
265.08450	0.6
295.13242	9.4
303.41974	0.4
327.04214	0.6
327.12396	0.8
327.15839	6.7
327.19205	0.4
335.07260	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23194	0.4
53.03937	1.0
56.05045	0.5
57.07061	0.4
67.05489	0.7
69.07050	1.3
69.59577	3.9
70.06588	1.8
72.08143	0.8
79.05493	2.6
81.03387	0.7
81.07034	0.6
82.02967	0.7
84.04496	0.7
89.06025	1.8
91.05459	0.5
94.06553	1.6
95.04976	2.5
95.06082	0.5
96.04519	0.6
98.21506	0.6
98.98462	15.5
103.05482	0.8
104.04980	1.4
105.03368	1.0
105.05799	1.0
105.07022	0.7
107.04947	100.0
108.05254	2.6
111.05577	2.8
111.08127	0.6
116.99482	0.7
120.04439	2.6
120.08121	0.7
121.06474	0.6
123.04438	0.8
124.05087	0.7
125.05872	0.9
126.06609	2.7
130.06519	30.5
131.04895	0.6
131.06892	0.8
132.04442	27.3
133.06479	1.2
133.08604	0.7
134.05978	4.9
137.04692	2.9
137.05931	3.7
146.05986	1.3
148.07588	1.9
151.06149	11.3
157.07605	21.9
158.05998	31.6
159.06413	1.0
159.09201	1.1
163.07556	1.9
174.99228	1.5
175.08665	38.4
176.09023	1.5
177.04115	1.1
185.07080	1.6
186.05472	1.7
187.08659	1.3
194.06729	3.3
202.09737	1.4
203.08142	34.0
204.06577	2.6
204.08308	1.0
221.09189	29.6
222.09435	0.9
230.09285	0.8
231.03410	0.9
242.09222	3.1
257.10324	2.9
259.11862	5.1
270.97559	0.6
281.12762	1.0
284.11374	1.5
302.12415	8.6
309.12119	0.8
310.10913	0.6
327.12561	2.5
327.19370	0.5
345.13031	25.2
346.13388	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1436
Annotation	(+)-Macrosphelide C
Peak:m/z	Relative Intensity
53.03937	3.9
55.01863	4.8
55.05505	12.5
56.81456	1.5
57.03432	2.0
57.07064	4.3
59.04985	6.9
65.03939	1.9
67.05164	1.9
67.05501	23.0
67.13083	1.4
68.99791	4.1
69.03422	39.9
69.07070	24.6
69.55925	13.1
70.06577	2.0
71.04971	1.9
79.05486	16.9
79.23864	1.3
81.03410	2.1
81.07050	37.4
83.04979	31.7
83.08620	16.1
83.83383	1.4
85.02869	2.5
85.06541	9.6
87.00826	12.8
87.04456	4.9
91.05481	15.5
93.03407	3.1
93.07037	94.5
95.04959	16.6
95.08595	53.1
97.06524	12.4
98.98460	23.5
99.08055	3.3
101.05984	9.8
103.05432	3.6
105.04560	1.6
105.07011	9.6
107.04943	8.6
107.08585	23.3
109.06516	13.8
109.10139	16.6
111.04456	3.9
111.08068	36.2
115.03909	5.4
115.07553	4.3
117.07001	4.1
119.08596	11.9
121.06497	26.5
121.10119	21.7
123.08038	7.1
123.11712	4.5
125.05959	4.0
129.05470	16.6
129.09079	11.0
131.04912	3.6
131.08546	4.8
133.06462	4.5
133.10136	13.7
135.08060	6.6
135.11673	29.6
137.05952	14.2
137.09587	6.6
139.03859	3.7
139.07515	44.7
143.07027	7.9
143.18558	1.7
144.09346	3.8
145.06387	2.6
147.08020	2.0
149.05977	16.3
149.09567	2.5
149.13257	11.3
151.11166	31.2
157.05013	1.8
157.08588	11.5
159.11673	19.0
163.07545	6.1
163.11142	3.4
167.06996	7.8
171.06531	3.7
174.99158	1.6
177.12726	33.8
180.06337	4.9
185.07996	3.5
187.11169	2.2
195.13797	74.9
196.14188	1.7
205.12263	7.8
223.13278	24.0
241.14326	100.0
242.14690	1.8
278.17648	2.5
291.12341	2.5
291.39426	1.8
295.13269	2.1
295.20084	3.7
309.13293	58.5
310.13678	2.6
327.14255	53.1
327.17847	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	327.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.7
56.05032	1.4
57.91542	0.7
62.38230	0.8
69.07055	1.4
69.58084	2.5
69.58514	3.3
70.06579	2.1
72.08154	1.6
79.05482	2.4
82.02920	1.4
83.06120	0.9
84.08130	0.8
86.09663	1.1
89.06020	6.4
91.05486	1.0
94.06557	1.3
95.04963	3.0
95.06068	1.4
96.04484	1.5
97.04013	1.0
98.98453	18.6
99.86688	0.7
103.05504	0.9
104.04977	1.8
105.03396	1.1
105.04494	1.0
105.05760	1.6
105.07002	0.9
106.06541	1.5
107.04944	100.0
108.05283	2.1
111.05553	4.3
120.04461	4.9
123.05592	1.7
124.05035	1.3
125.05823	0.7
126.06606	4.0
127.05045	0.9
130.06512	27.2
131.04932	1.4
131.06889	1.3
132.04439	37.1
133.06465	1.4
133.08582	2.6
134.05997	6.2
137.04718	5.2
137.05878	5.1
146.02257	0.9
146.05997	1.1
147.04311	0.8
148.07556	2.5
151.06134	17.8
157.07600	21.5
158.05994	30.7
159.09123	1.0
160.65297	0.7
163.07549	2.2
174.99232	1.8
175.08655	41.8
176.09007	1.0
177.04060	2.4
185.07216	1.2
186.05522	1.4
187.08670	1.0
194.06755	4.6
195.07367	0.9
202.07628	0.7
202.09717	1.9
203.08133	36.2
204.06601	2.3
216.11244	0.8
221.09175	35.4
230.09140	1.4
232.10898	1.0
242.09219	5.9
257.10309	6.5
258.08817	1.2
259.11874	8.5
281.12860	1.6
284.11368	2.9
302.12436	14.3
309.18024	1.3
327.12390	2.3
327.19290	0.8
345.13025	44.8
346.13513	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.01863	1.3
56.96555	0.8
57.03450	1.0
69.07069	1.9
70.06584	8.5
71.59711	1.0
71.71477	0.8
72.08139	3.9
79.05500	2.1
81.03462	1.1
81.45034	0.7
82.02942	1.2
83.06120	0.8
83.08613	0.9
84.04533	1.3
84.08163	3.4
85.02929	1.1
86.06055	1.1
86.09711	2.5
87.04480	2.3
89.05476	1.8
89.06029	39.1
90.25397	0.8
91.05497	1.0
94.06561	2.4
95.04988	2.3
95.08638	0.9
98.98461	74.5
103.05488	2.1
103.71544	0.7
105.07085	0.8
107.04950	100.0
107.07049	2.1
108.05332	1.1
110.07183	2.2
116.07085	1.0
116.98745	1.2
116.99441	4.1
119.05002	1.1
121.06505	1.3
123.04417	0.8
123.08206	0.8
129.10262	1.1
130.06520	34.0
130.08685	1.0
131.04965	2.0
132.04457	15.3
132.08032	0.8
133.08592	16.4
137.06013	1.0
142.06439	1.1
146.06021	2.0
148.07588	2.4
149.05994	2.4
151.06192	0.9
157.06328	1.8
157.07608	30.6
158.06001	31.2
159.06482	1.0
159.09195	3.3
165.05495	1.0
174.99199	8.5
175.08665	44.1
177.11221	3.7
185.07104	1.5
189.09238	0.8
203.08147	50.2
204.06641	1.9
221.09213	32.5
222.09692	1.0
231.03432	1.3
251.00116	0.8
281.12830	1.4
293.77240	0.8
302.12326	1.0
309.12320	1.4
309.18146	0.9
327.07681	1.0
327.13654	1.7
327.19818	1.0
328.06476	0.9
345.13150	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86287	0.6
53.03949	1.7
55.01876	8.9
55.05509	1.0
57.03418	1.1
67.05492	1.7
69.07054	1.0
69.68082	4.5
70.06581	0.9
71.04977	1.1
79.05495	2.8
81.07066	1.8
83.08637	0.7
85.56482	0.7
88.07648	1.6
89.07948	1.1
91.05471	2.7
93.07011	1.3
95.04979	5.8
95.08607	1.1
98.98468	100.0
100.11249	0.7
103.05477	2.6
105.07043	2.2
107.04951	27.1
107.08618	1.1
115.05447	2.6
116.99503	3.2
117.07039	1.2
119.08607	1.0
121.02869	1.5
121.06536	2.0
123.04421	5.2
123.08060	2.3
125.05959	0.6
129.07024	0.8
131.04922	19.0
131.08505	0.9
132.05717	1.0
133.06519	1.8
135.04446	3.8
135.08009	0.7
137.05971	3.3
143.04948	1.4
144.05659	1.4
145.02864	0.7
145.06479	1.6
147.04465	1.1
147.08105	0.8
149.09636	1.6
151.76181	0.7
155.04950	1.1
159.04314	1.1
160.05186	1.1
161.05966	2.0
165.06979	0.8
171.04443	1.0
172.05217	0.7
174.06776	1.0
174.99232	11.7
175.07552	1.8
177.05484	3.0
178.07712	1.4
179.07079	1.8
179.08623	0.7
181.06499	1.0
183.04561	0.9
185.00284	0.7
187.07564	1.9
190.07751	1.1
190.95386	0.7
191.08624	2.5
193.10043	0.9
194.07335	0.9
195.08116	1.3
200.04840	0.8
202.07767	5.0
203.07002	3.0
203.08656	4.0
205.06462	1.3
207.08072	1.9
208.08923	0.9
209.09703	0.8
213.63406	0.7
215.07028	1.7
215.08766	0.9
218.07346	1.9
219.08066	6.9
220.08809	3.1
221.05931	0.9
221.07782	1.3
221.09644	2.8
231.08041	16.1
232.08778	1.5
233.09590	0.8
234.06714	1.5
235.07564	2.0
236.08319	0.9
237.09003	3.9
243.08046	0.8
247.07526	9.3
248.08372	4.7
249.09094	4.5
250.06320	1.1
258.06787	1.2
259.07529	11.6
259.10004	1.2
260.08380	6.3
261.09064	0.8
263.10654	3.4
264.07834	2.6
265.08521	4.0
266.09235	1.1
273.09219	1.1
273.18588	1.7
275.07092	0.9
276.07825	5.0
277.08664	4.2
278.09430	1.6
279.10147	5.6
281.11838	1.0
291.10147	26.1
291.19461	4.9
294.09064	1.1
297.11246	8.9
305.47452	0.7
309.11194	12.3
327.17764	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
54.97545	1.0
55.01868	21.2
55.05498	10.7
56.05834	1.3
56.31780	1.1
56.96558	1.3
57.03421	1.3
57.07064	4.1
58.60702	1.0
62.46571	1.4
65.03921	2.7
67.05491	3.3
69.03423	5.7
69.07062	6.0
70.03735	1.1
70.06581	3.0
71.59969	1.9
72.08135	3.0
75.75799	1.4
79.05487	4.1
79.66633	1.0
81.03405	3.8
81.07037	6.0
83.04955	2.7
83.08628	5.8
84.08142	2.6
85.02898	1.7
89.06016	4.8
91.05502	6.4
93.07024	3.0
93.45266	1.2
94.04151	2.4
95.04954	3.8
95.08593	2.3
98.09690	3.4
98.98459	100.0
100.07613	2.0
100.11250	26.7
101.10982	1.4
101.11571	5.8
102.04665	2.8
103.05450	4.8
105.07024	5.8
107.04948	17.4
107.08560	2.4
109.02914	1.8
109.06512	5.2
109.10194	1.9
110.07227	1.1
111.04449	6.1
115.05449	3.0
115.59839	1.1
116.99496	4.5
117.06997	2.9
119.04924	6.0
120.08094	1.3
121.06480	1.4
122.03662	5.0
125.06020	2.4
128.06190	1.5
128.07115	1.2
129.06947	1.4
130.04129	5.3
131.04968	5.9
133.06479	4.5
133.08588	3.6
133.10124	1.3
135.04384	1.6
137.05974	44.0
141.11447	1.5
141.61493	1.4
143.06035	1.3
145.06512	7.6
146.03563	3.2
147.04395	15.6
149.05962	2.0
150.06688	1.6
153.05475	3.4
157.06468	3.0
160.95515	1.4
161.05971	17.7
162.06757	16.2
163.07523	2.3
165.05522	16.9
165.06892	2.7
171.04379	1.5
173.06023	6.4
174.99210	8.5
178.07784	5.5
179.08527	2.0
182.15445	6.4
183.15674	3.6
185.06003	7.2
189.06940	2.1
190.07751	1.7
191.08588	5.0
193.10046	4.0
194.07275	1.5
195.07944	1.3
202.07784	11.6
203.08562	13.7
205.06499	2.7
206.07288	3.2
207.08037	4.4
209.16531	2.9
210.14867	4.3
210.93237	1.2
211.15067	2.6
218.07249	1.8
219.08057	12.6
220.08858	4.2
221.05962	1.6
221.09537	6.2
223.07437	1.5
231.03331	2.0
231.08041	24.4
232.08817	1.7
233.09737	1.6
234.06769	5.0
235.07509	5.3
237.09212	1.4
239.07053	3.2
239.10585	1.5
247.07507	7.1
248.08347	5.7
249.09077	12.1
254.09460	1.8
259.07547	16.0
260.08218	2.5
263.10394	1.4
264.07709	2.9
265.08554	2.2
267.10168	1.5
269.11823	1.2
276.07782	3.5
277.08594	40.6
278.08826	1.5
279.10120	5.3
281.11850	2.1
291.10080	13.1
294.08624	1.4
297.11182	25.3
309.11191	38.7
309.22513	1.4
326.28082	7.7
326.76331	12.1
327.04764	5.7
327.12332	4.2
327.20084	1.6
327.23557	3.6
327.28287	15.4
328.06076	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15577	0.3
53.03951	5.5
55.01869	0.4
55.05517	0.7
56.01243	0.2
56.96557	0.6
57.03444	0.5
65.46323	0.2
67.05502	1.2
69.07076	0.3
70.06596	6.5
70.06958	0.5
70.09844	0.4
70.10249	0.9
71.04996	21.4
79.05494	1.0
81.03424	0.7
81.07056	1.6
83.04987	0.4
83.08623	0.3
84.08128	0.5
86.09713	0.6
88.07635	100.0
89.07967	0.8
89.11056	0.3
91.05482	0.8
93.07054	0.8
95.04971	0.8
95.08612	0.6
98.98472	46.9
102.83489	0.2
105.07045	0.8
107.04960	3.1
107.08592	0.5
108.05298	0.4
109.06522	0.7
109.61620	0.2
110.07123	0.3
113.06027	0.3
116.99515	2.5
117.07040	0.4
119.04955	0.3
119.08614	0.6
121.06482	0.3
122.82981	0.3
123.04314	0.3
123.08070	0.6
129.10342	0.3
131.08545	0.4
133.06490	0.3
135.08040	0.5
137.05997	0.4
140.01085	0.6
146.16527	0.3
146.46059	0.3
147.08037	0.3
174.99243	5.0
184.07332	0.3
221.15399	1.4
251.00087	0.6
267.15732	0.5
271.08313	0.4
284.66409	0.3
291.19553	3.3
296.66855	0.2
326.13562	0.3
326.19635	0.6
326.23196	1.1
327.17770	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.057
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	1.2
56.96545	2.6
57.03427	1.5
58.06570	0.8
58.55397	0.6
59.85226	0.6
61.02889	0.6
68.05025	1.0
68.18581	0.6
69.03416	4.2
70.02930	1.5
70.06554	1.9
71.59023	0.6
71.59447	0.8
73.02889	2.4
80.94933	1.3
81.03409	3.5
83.06081	0.8
84.04495	4.3
85.02871	2.6
87.04433	0.8
96.00826	1.1
97.02278	0.9
97.02885	16.9
97.07642	0.7
98.97552	2.3
98.98465	3.4
100.02440	0.9
101.00854	0.7
102.04012	0.6
108.04455	0.7
109.02856	1.9
112.07656	0.6
113.03480	17.7
114.03994	1.1
114.05495	0.8
116.05630	0.9
116.63572	0.7
116.98634	3.6
117.02125	0.6
118.03544	1.1
119.01923	7.8
120.02011	1.5
120.05029	0.6
126.00207	0.6
126.05469	0.9
127.07162	1.9
128.05560	1.1
128.98586	0.9
130.03526	1.5
130.04980	1.4
130.55524	0.6
131.01869	1.2
131.06674	0.6
132.05025	1.2
134.06537	0.8
134.99689	5.0
135.03218	0.6
137.02946	4.2
138.02669	0.6
139.03564	0.9
139.07127	1.6
141.05067	1.7
141.08731	1.9
142.03448	1.3
142.07097	1.4
143.06683	0.7
144.02670	1.2
144.04996	1.1
145.03465	0.8
145.08214	3.7
146.99660	0.9
148.99672	0.6
151.07076	1.1
152.05681	0.9
153.00761	1.8
153.03108	1.4
153.05104	2.1
153.08699	2.2
155.10292	1.2
156.05052	0.7
156.97447	2.1
157.03493	0.7
157.04539	3.3
157.08205	2.4
157.97508	2.0
158.06563	0.6
158.97227	1.3
158.99901	0.6
159.06142	6.9
159.09763	6.0
160.04570	2.3
160.06166	0.6
165.08731	0.9
167.06697	3.8
167.10281	1.0
169.08221	6.2
170.06578	1.1
171.06169	10.1
171.09787	5.2
173.02933	1.2
173.11365	1.8
174.06131	1.3
174.98534	2.8
175.98634	5.3
176.98283	1.6
176.99554	1.2
177.00940	13.5
178.01033	6.4
179.00728	1.9
179.06689	1.5
180.00482	0.8
180.09778	1.1
181.00502	0.7
181.05965	0.7
181.08147	1.6
182.11362	5.9
183.06125	2.3
183.09776	2.2
184.04747	0.6
184.06306	1.8
184.12909	1.4
185.07718	11.4
185.11368	2.3
187.09259	1.5
192.09840	1.7
193.08234	0.7
193.98987	1.1
194.07704	0.8
195.06194	1.1
196.09288	6.1
197.07721	5.2
198.10870	10.5
198.98546	0.7
199.09264	4.3
199.98505	1.8
200.98241	2.1
201.00880	1.4
201.07196	1.9
202.07339	1.6
203.00526	0.6
203.08832	1.0
205.00536	0.7
206.07784	0.9
207.09758	1.0
208.09303	2.1
209.07713	1.4
210.10855	8.9
210.14388	0.7
211.07477	0.7
211.09270	4.1
212.00076	0.8
213.07211	1.6
214.00328	0.8
214.10352	1.1
216.11786	1.1
216.99124	0.9
217.04076	0.9
217.10315	1.0
217.99055	1.4
218.03683	1.0
219.01987	21.0
220.02106	8.7
220.12802	0.8
221.01794	4.0
223.01509	2.8
223.09296	1.4
223.98021	0.9
224.08794	5.7
224.98051	0.9
225.00940	1.0
225.07176	1.1
225.10802	0.7
226.00282	1.0
226.10362	2.1
228.11917	2.6
231.01900	0.9
234.10788	1.3
235.00011	3.3
235.97978	1.0
236.00139	13.5
236.12482	1.7
236.99857	3.3
238.00432	0.8
238.14056	3.1
241.99147	1.5
242.09848	20.0
242.99567	1.1
243.02060	3.9
243.08192	4.5
244.02092	0.8
252.11880	1.8
253.01141	1.9
254.01144	5.5
254.09883	3.6
255.00999	1.5
255.08200	2.3
256.14996	0.8
258.03241	0.8
258.99994	3.6
260.00104	22.7
260.04529	1.4
260.10938	2.1
260.99976	5.7
261.03009	66.0
262.03159	15.9
263.02872	2.4
264.11945	2.0
265.99295	4.8
266.99033	1.2
272.08151	1.1
272.10870	8.3
274.99072	0.6
276.92096	4.5
277.00925	3.2
278.01144	27.4
279.00919	7.2
280.11383	5.1
282.12939	6.6
282.99994	5.3
284.00134	45.5
284.04514	1.5
284.06607	2.2
284.96283	1.8
284.99783	11.8
285.03119	0.9
285.04514	0.9
288.00323	1.3
290.50580	0.8
292.99893	1.4
294.93021	3.6
298.12433	5.3
301.00922	8.2
302.01166	100.0
302.93869	1.3
302.97137	3.9
303.00769	25.9
303.05914	1.3
308.10803	1.3
308.98239	2.2
311.96091	1.2
318.93100	3.1
319.02121	0.7
320.02121	8.1
321.02020	2.1
325.02701	3.1
326.01770	13.3
326.11938	73.9
327.01260	3.0
330.93137	1.2
344.02225	22.5
345.01941	6.2
348.94226	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39983	1.1
53.03937	1.7
55.01850	1.8
55.05514	9.5
56.96547	1.5
57.03423	4.5
57.07075	7.3
59.04993	3.0
59.12009	1.3
65.03934	1.1
67.05507	18.7
68.83427	1.0
69.03426	3.9
69.07065	10.2
69.80839	4.9
69.81248	2.8
70.04073	100.0
70.06571	1.7
71.03755	1.2
71.04412	1.3
71.04980	3.5
72.08141	1.9
73.06552	1.1
79.05489	17.3
81.03414	3.1
81.07057	17.6
83.04977	4.5
83.08607	6.1
85.02908	1.6
85.06541	2.3
86.03547	62.4
86.09692	3.2
87.03281	2.2
87.03870	4.7
87.10036	1.8
89.03952	1.2
91.04938	1.7
91.05476	13.8
93.07033	14.9
95.04947	9.4
95.08601	11.8
97.02884	1.1
97.06516	9.6
97.10159	5.0
98.21437	1.2
98.33647	1.0
99.08093	2.4
103.05463	1.3
105.07017	13.8
107.04977	6.0
107.08588	12.7
108.08135	1.2
109.06513	5.2
109.10148	9.6
111.04427	2.0
111.08102	2.4
113.06024	1.9
115.05437	2.2
116.05002	1.0
117.06997	4.9
119.08567	11.2
121.06489	3.9
121.10134	7.3
123.08081	4.8
123.11748	2.1
124.07606	2.0
125.01558	3.7
125.06004	2.2
125.09654	5.3
126.01842	1.3
127.01219	3.5
129.07018	2.8
131.08566	6.6
133.06493	1.5
133.10135	9.1
135.08041	5.1
135.11691	4.0
137.09615	3.6
137.13182	1.2
143.07050	4.8
143.08571	2.2
145.10135	7.7
147.08076	3.7
147.11708	5.2
149.09622	2.6
149.13272	2.2
151.03148	1.4
151.11183	4.0
152.11464	2.3
153.02782	1.5
155.08557	2.6
157.10170	3.5
159.08058	5.2
159.11716	4.4
161.13203	1.7
163.07535	1.9
163.11127	3.1
169.10223	1.5
171.11673	2.4
173.13297	1.4
181.02887	1.3
181.10100	1.6
182.10931	1.6
183.11707	2.6
187.14847	2.3
189.11234	1.6
190.04979	2.0
195.11641	1.1
198.37753	1.1
199.11165	1.6
205.15939	1.1
209.13350	2.0
221.13266	1.1
223.14940	1.3
233.15398	3.1
233.19019	2.6
244.09734	1.9
246.09674	1.2
253.15848	1.7
257.19138	1.8
271.16870	3.2
275.20062	8.1
279.21414	2.2
289.17975	8.0
307.19052	4.4
307.22440	2.3
311.43942	2.4
325.11636	2.1
325.15018	14.3
325.20950	2.1
326.14383	12.3
348.02524	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.1
55.01860	20.6
55.05515	36.2
57.03418	12.8
57.07068	11.7
67.05496	66.3
69.03412	7.5
69.07069	43.7
69.30915	48.7
71.04959	8.2
72.62816	4.6
79.05492	50.8
81.03423	7.4
81.07048	100.0
83.04961	12.0
83.08609	17.0
85.06519	7.3
86.95033	4.9
91.05467	34.6
93.07041	49.8
95.04940	23.2
95.05995	4.3
95.08614	58.0
97.06511	20.0
97.10160	11.1
105.07024	38.6
107.04959	9.0
107.08587	49.9
109.06487	19.5
109.10126	24.3
111.08088	18.9
117.06987	17.1
119.08593	31.4
121.06490	5.5
121.10117	25.1
123.08054	13.4
123.11666	13.0
125.09647	14.0
127.07569	5.7
129.06943	7.0
131.08537	18.7
133.10155	32.6
135.08054	9.4
135.11694	18.4
137.09581	7.8
139.11142	12.1
145.10124	22.1
147.11667	17.9
149.09576	17.4
149.13246	9.9
151.11197	10.4
157.10080	6.7
159.11691	11.1
161.13284	6.5
163.11118	10.0
165.12732	10.2
171.11650	7.5
173.13284	10.3
175.11192	5.9
187.14842	6.3
207.13754	6.9
239.17979	7.3
242.09154	5.0
257.18997	13.7
263.20010	16.1
275.20035	77.9
283.12360	5.8
289.21515	5.3
293.20935	22.4
307.22647	15.0
316.56152	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.0
55.01881	17.8
55.05510	36.5
57.03429	8.5
57.07064	10.1
61.61279	3.0
67.05157	6.1
67.05497	63.2
69.03417	8.0
69.07060	47.4
70.34676	7.6
70.35068	9.3
70.50829	3.3
71.04998	3.9
71.08617	4.7
77.97073	3.4
78.92308	3.5
79.05484	42.3
80.17997	3.1
81.03418	6.7
81.07047	100.0
82.23239	3.2
83.04971	16.3
83.08611	20.1
85.06527	6.5
88.67634	3.0
91.05465	38.2
93.07047	44.0
93.40011	2.9
93.50945	3.4
95.04962	23.7
95.08601	58.8
96.95941	3.3
97.06500	26.6
97.10163	4.2
99.08076	5.4
105.07017	41.6
107.04939	10.2
107.08575	38.8
109.06491	18.0
109.10127	30.2
111.04459	6.5
111.08018	7.4
117.07005	8.2
119.08577	42.5
121.06476	9.1
121.07619	4.0
121.10136	26.7
123.08062	11.3
123.11721	13.5
124.07628	4.1
125.09618	11.4
127.07537	3.4
129.06924	3.7
131.08565	20.2
133.10133	29.0
135.07980	8.0
135.11668	19.8
137.09569	10.3
143.08533	5.2
145.10106	23.5
147.11674	28.1
149.09656	21.5
149.13211	10.5
151.11165	5.9
153.12762	9.5
157.10147	4.7
159.11739	6.5
161.13239	5.9
163.11192	14.5
165.12744	13.1
169.10123	3.4
171.11667	4.2
173.13254	6.3
175.11166	5.9
177.12679	6.4
181.91389	3.2
185.13223	4.8
190.05040	5.2
193.12383	4.1
197.13275	3.3
207.13792	3.9
229.19641	5.2
231.16000	4.3
239.17889	5.5
247.20709	8.0
257.19022	10.7
263.19958	27.2
275.20013	67.8
289.21765	7.1
293.21152	18.3
295.22650	8.8
307.22723	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07970	0.7
53.03911	0.9
55.05500	2.1
56.05015	2.8
56.94291	1.1
57.03414	0.8
58.06567	1.1
60.04523	11.8
65.03938	0.9
65.52061	0.8
67.05476	2.7
68.05006	2.1
69.03403	2.4
69.07055	1.1
70.02941	0.9
70.06578	5.6
70.95818	1.5
71.11594	2.0
71.11923	0.9
72.08122	2.6
72.93765	2.6
78.73549	0.8
79.05489	4.5
80.04984	2.5
81.03397	2.3
81.07030	3.4
82.06524	2.6
83.04984	1.4
83.08582	1.1
84.04048	1.0
84.04501	17.1
84.08113	3.9
85.02435	1.5
85.02900	20.0
86.06065	6.6
86.09704	10.7
87.04443	1.0
90.24538	0.8
90.94802	2.3
91.05470	15.4
93.07047	6.7
94.06505	1.7
95.01291	1.8
95.04917	1.4
95.06087	5.7
95.08572	1.1
96.04440	1.1
96.06412	1.7
96.08092	2.5
96.49467	0.9
97.02861	1.6
98.06018	2.6
98.09653	1.2
98.97511	1.2
102.05526	10.2
103.05441	1.3
105.06997	1.6
107.04951	32.6
107.08576	4.4
108.05238	1.2
108.08109	46.6
108.95810	1.2
109.06502	0.9
110.07171	1.1
110.09670	5.0
112.03915	1.3
112.08630	1.1
116.07079	1.3
119.04942	1.2
120.08071	2.8
121.02887	1.1
121.06429	1.1
121.10079	1.3
122.09650	5.2
123.10432	2.1
124.07550	1.9
124.11166	1.0
130.04994	82.2
132.10205	10.2
132.95731	1.2
133.02815	1.0
133.10103	1.4
134.09607	2.4
135.04468	1.0
135.11676	7.0
136.07549	1.2
137.05927	2.7
138.09183	1.1
142.04996	1.4
144.95758	2.5
145.06468	1.2
146.05951	1.1
146.97400	1.0
147.04318	2.0
147.07974	1.0
147.09045	0.9
148.11217	1.1
148.98967	1.2
150.12778	12.9
150.96965	1.2
151.02016	0.9
151.13506	2.8
152.14334	100.0
153.14728	1.1
154.15884	4.4
156.04648	1.3
158.97356	2.7
162.96870	2.0
163.03801	2.4
173.12886	5.2
176.98431	2.2
177.05441	1.2
178.15840	2.7
186.96878	1.7
190.04869	3.0
190.15817	1.1
191.08151	3.3
192.99622	1.0
196.16954	41.4
201.05414	1.5
201.12259	1.8
202.05348	1.1
204.97946	1.2
205.06403	2.2
205.56723	1.1
206.08168	0.9
216.97940	1.4
219.07928	2.0
219.11481	1.6
219.13400	20.8
224.12469	1.0
234.98941	8.5
235.18002	3.4
236.16425	1.5
250.06020	1.6
252.99977	1.5
255.14740	1.2
261.19501	1.2
264.15915	16.1
265.08563	1.8
266.17377	1.4
278.19501	1.2
281.18582	89.6
282.18893	2.0
283.20004	2.6
292.07361	1.2
293.07932	2.5
297.12262	1.1
307.09665	3.4
308.18314	4.6
325.03711	11.7
325.10626	2.8
325.21094	82.1
326.03848	1.8
326.21350	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2007
Annotation	Albocycline M-1
Peak:m/z	Relative Intensity
55.01861	3.8
55.05515	10.0
57.03440	12.9
57.07062	1.5
63.74598	1.5
67.05505	31.4
69.03418	3.0
69.07065	10.3
70.84290	3.6
71.04974	4.7
73.04468	1.8
79.05492	21.2
81.03413	14.2
81.07050	20.0
83.04981	5.9
83.08607	2.3
85.06537	4.5
91.05486	15.5
93.07042	18.8
95.04964	11.7
95.08605	100.0
97.06523	5.7
97.10141	4.1
105.07026	16.1
107.04948	14.3
107.08597	5.7
109.06508	6.4
109.10165	4.6
111.08103	3.8
117.07000	6.2
119.08577	9.5
121.06532	10.0
121.10131	4.0
123.04421	2.2
123.08078	29.2
125.09618	1.8
129.07005	2.9
131.08580	7.6
133.06473	3.9
133.10139	5.4
135.08026	4.0
135.11665	1.8
137.06020	1.6
141.09100	6.8
143.08647	1.9
145.10092	5.9
147.11670	2.9
149.09622	2.3
159.08102	3.4
159.10176	44.0
159.11540	2.2
161.13222	2.0
163.48003	1.7
169.10124	2.6
170.15324	1.8
171.11690	2.0
173.13174	1.7
187.14720	2.2
189.11011	1.5
207.13765	3.9
213.05418	1.6
215.14320	2.6
225.69560	1.6
233.15311	11.8
238.14171	1.7
261.18472	7.7
271.17044	2.1
279.19586	5.1
289.17935	6.0
307.19037	4.4
325.20432	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	325.2005
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03941	8.0
55.01856	4.8
55.05507	17.2
57.03428	4.8
57.07066	15.7
58.07388	1.7
65.03929	3.0
67.05503	28.2
69.03410	2.8
69.06709	3.0
69.07059	32.4
69.52926	2.9
69.53329	11.1
70.04070	100.0
70.07396	6.1
70.07790	1.6
71.01353	2.4
71.03764	4.4
71.04407	8.4
71.04987	13.2
79.05064	1.8
79.05487	32.4
79.55863	1.5
81.03416	14.1
81.07050	62.2
83.04974	10.3
83.08607	7.6
84.08158	1.9
85.02886	1.9
85.06472	1.9
85.34097	1.5
87.28574	1.7
91.05468	24.0
93.07030	26.5
95.04960	11.6
95.08598	22.1
97.02881	2.6
97.06532	13.8
97.10164	2.3
99.04447	1.7
99.08066	4.0
100.05090	15.8
105.04501	1.6
105.07027	15.7
107.04951	16.1
107.08600	15.2
109.06515	30.3
109.10124	10.0
111.04465	2.8
111.08081	8.3
113.01634	1.8
115.05452	2.5
115.07552	5.0
116.04989	2.3
117.07039	9.8
119.08583	11.1
121.06486	6.1
121.10119	12.7
123.08031	10.4
124.07570	3.2
125.01541	9.4
125.09598	3.2
126.01881	7.7
127.01211	9.9
127.11195	1.7
128.06197	1.7
129.01038	2.2
129.06964	5.8
131.08574	10.8
133.06461	1.6
133.10132	9.3
135.08022	4.2
135.11665	7.1
137.05908	1.7
137.09634	4.1
139.03036	4.2
139.11169	1.8
141.00993	3.6
141.02803	2.9
141.06999	3.8
142.01413	2.3
142.07811	3.8
143.00717	6.9
143.08540	3.7
145.06487	4.7
145.10165	9.3
146.97458	1.8
147.08025	2.7
147.11674	3.6
149.09621	4.0
149.13269	2.0
150.10260	3.7
151.03084	4.0
152.03409	3.5
153.02850	1.8
155.08511	2.9
156.60216	2.2
157.10100	4.2
159.08032	4.3
159.11687	7.2
163.11220	2.4
165.02777	2.0
167.10707	3.9
168.11342	11.4
169.10168	3.9
169.11577	4.0
171.11711	3.8
173.09706	2.5
173.13181	1.8
177.12749	3.0
179.04373	1.9
183.11699	2.6
185.09584	2.4
187.11171	5.8
190.04990	4.3
191.14262	2.4
195.11761	2.1
196.10811	4.1
197.07208	1.8
197.13150	1.8
198.07594	8.1
199.06992	8.4
199.11157	2.9
219.13725	2.4
220.09608	2.5
224.85150	1.6
233.15388	4.3
237.14861	5.7
241.14333	4.0
261.18533	5.3
271.16949	3.0
285.07507	1.9
285.63821	1.7
289.12918	17.8
289.17819	17.1
290.12296	10.1
297.25894	1.7
303.08795	3.9
307.13818	2.0
307.18939	7.8
325.11923	10.5
325.14941	9.3
325.21664	7.8
326.10870	6.1
326.14511	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	325.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60349	0.5
53.03924	1.1
55.01872	3.7
55.05509	7.1
55.54856	0.5
56.96548	0.9
57.03437	5.1
57.07064	1.4
59.04981	0.7
59.84710	0.5
63.02358	0.6
65.03924	1.9
65.73098	0.6
67.05499	9.4
68.05016	0.8
69.03404	1.6
69.07055	3.8
70.06567	1.0
71.04980	1.6
71.60133	0.8
72.08127	0.8
77.03963	0.7
79.05486	11.9
80.04992	1.6
81.03410	7.0
81.05778	2.2
81.07051	9.5
82.06568	5.4
83.04967	3.0
83.08614	3.2
85.02904	0.8
85.06528	1.2
89.03910	8.9
91.05472	7.7
93.03398	1.3
93.05759	2.8
93.07034	8.0
94.06565	9.5
95.04958	16.2
95.06013	1.1
95.08600	6.0
96.04440	0.8
96.08126	18.2
97.02882	1.2
97.06522	3.0
97.10165	4.4
99.04446	0.9
99.08089	0.7
103.05423	0.6
104.04972	0.7
105.07009	2.7
106.06538	7.5
107.04951	5.2
107.07359	1.3
107.08594	4.8
108.07421	1.0
108.08111	15.4
109.06511	5.6
109.10123	2.5
109.10805	0.6
111.04435	1.3
111.08092	1.2
113.05997	0.7
113.07091	0.7
115.07537	0.8
116.04971	28.1
117.06996	2.4
118.06548	2.8
119.08566	3.4
120.04461	2.4
120.08087	3.6
121.02865	0.7
121.06499	10.0
121.10121	2.1
122.06019	11.3
123.08092	2.9
123.11654	0.6
124.07581	66.4
124.47120	0.5
125.05997	0.9
125.07951	1.4
125.09644	3.3
129.07019	1.5
131.08522	2.5
132.04436	0.8
132.08055	0.7
133.10085	1.6
134.06017	5.3
135.08047	4.0
135.11661	1.6
136.07567	19.8
137.09579	3.1
138.05606	0.5
138.09100	0.9
139.07506	1.2
141.09038	1.0
144.04440	20.8
144.05594	1.1
144.08069	0.7
145.02835	0.8
145.04884	0.8
145.06444	0.7
145.10129	2.2
146.06004	13.4
147.08014	0.9
147.11638	1.1
148.03954	0.9
148.07574	3.9
149.09622	0.7
149.13220	0.6
151.07495	1.4
152.07056	8.9
153.09108	2.2
157.07593	0.5
157.10098	1.2
158.97635	6.3
159.08044	2.5
159.11629	1.0
160.03870	1.8
161.09612	1.5
161.13235	0.6
162.05481	4.7
163.03932	0.9
163.07520	1.2
163.11130	3.4
165.09088	1.1
165.12741	0.8
168.97028	0.6
171.11649	0.6
172.03922	16.3
173.09560	0.6
173.13237	1.4
174.05576	2.6
175.11179	0.7
178.04929	0.8
181.07524	0.6
181.08887	0.6
181.12199	0.9
182.09628	0.8
183.11804	0.7
187.11168	0.6
187.14845	0.8
189.11215	3.1
189.12724	1.0
190.04974	100.0
191.05351	3.7
191.07170	1.0
191.14296	1.0
193.12241	0.9
195.09166	2.4
196.09926	2.1
196.11475	0.6
197.10725	0.7
201.12740	0.8
205.12212	1.4
206.09624	1.0
207.09152	2.2
208.09906	2.2
209.07076	1.5
209.10677	1.3
210.11392	0.9
211.08694	1.0
215.14313	0.8
219.13802	1.8
221.10759	1.9
222.07793	0.9
223.08626	2.1
223.13487	5.7
223.93851	0.6
224.09404	1.2
225.10231	0.8
226.11142	0.7
233.15411	3.4
234.09129	1.3
235.08731	2.1
236.09393	4.5
237.10172	1.8
238.10965	1.0
243.17480	0.9
250.11069	1.0
251.08191	0.9
251.11743	4.9
251.16432	0.8
252.08844	2.6
253.13315	0.6
253.15758	0.8
261.18439	1.5
263.08109	1.1
264.08865	2.2
265.09659	0.8
267.07605	0.9
267.11270	0.8
269.12903	1.3
271.16956	2.8
279.11255	9.0
279.19760	0.6
289.17975	9.6
296.11536	1.1
297.12305	28.8
298.12628	1.3
306.75909	0.6
307.10806	3.0
307.15799	1.0
307.19016	10.5
315.13232	1.1
325.11801	46.7
325.19754	4.3
326.08197	2.0
326.12173	3.6
343.12860	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	325.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31487	1.9
53.03949	3.6
55.01864	4.8
55.05517	9.6
57.03423	4.0
65.03929	2.8
67.05512	21.3
69.03417	3.7
69.07063	5.6
69.45399	12.5
71.04996	2.9
79.05491	29.9
81.03408	4.1
81.07053	100.0
83.04976	4.4
83.08618	3.5
91.05492	11.6
93.07069	10.0
94.88663	1.6
95.04982	9.0
95.08595	8.5
97.06525	14.7
97.10136	3.1
105.07042	8.3
107.04927	8.1
107.08582	10.3
109.02890	3.2
109.06512	64.7
109.10165	7.3
111.08070	2.4
114.81847	2.1
117.07051	4.9
119.08600	8.2
121.06516	2.4
121.10174	3.2
123.04435	19.7
123.08046	4.0
123.11715	2.6
125.09628	3.0
131.08578	3.9
133.10117	11.8
135.08083	6.0
135.11652	2.2
137.09592	4.1
142.62259	1.7
145.06494	1.9
145.10139	4.8
147.08029	2.3
147.11690	2.8
148.44862	1.5
149.09563	2.0
151.07510	11.5
151.11147	4.1
155.08638	2.5
157.10262	2.3
159.08012	3.6
159.11694	3.9
161.09613	6.5
163.07539	3.0
179.10640	4.2
189.09172	3.0
207.10019	2.6
233.15439	4.2
243.17448	3.9
261.18393	10.4
271.16953	5.1
289.17984	23.0
307.19119	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2009
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03947	7.8
54.61193	3.0
55.01870	18.5
55.05511	81.8
56.96572	8.7
57.03436	44.2
57.07073	4.9
58.03870	3.3
59.04988	6.1
66.06248	3.0
67.05504	84.1
69.03422	12.1
69.07064	39.6
70.04076	14.3
70.06617	2.9
71.00040	7.9
71.04983	11.4
72.08181	3.2
77.26626	3.2
77.72343	3.5
79.05493	70.3
81.03425	14.1
81.07057	62.2
83.04983	13.5
83.08618	36.9
85.02889	3.9
85.06563	7.6
86.09695	9.2
91.05473	52.1
93.07038	44.7
95.01340	9.2
95.04962	40.5
95.08612	28.1
97.02844	3.7
97.06528	27.6
97.06961	2.7
97.10171	50.8
98.97587	4.0
99.08102	3.4
100.05124	3.8
105.07018	35.2
107.04950	45.8
107.08594	44.2
109.02861	4.1
109.06523	28.3
109.10162	29.7
111.04486	3.6
111.08079	4.2
115.05466	5.4
116.04896	3.3
117.07001	19.1
119.08569	33.2
121.06520	25.4
121.10166	10.4
123.04446	7.1
123.08054	13.8
124.07580	3.8
125.09614	35.2
129.07034	4.3
131.08540	20.7
133.06490	5.3
133.10088	16.9
135.08051	42.4
135.11694	5.4
136.07600	3.7
137.09622	27.9
141.06921	6.0
143.08549	7.8
145.06497	4.2
145.10086	15.8
147.07979	17.9
147.11694	12.0
149.09593	5.7
151.11200	5.0
153.09109	5.2
155.08542	5.4
157.10146	5.7
159.08046	95.7
159.11668	7.6
160.08525	4.2
161.09605	11.2
161.13187	4.4
163.07541	17.6
163.11154	6.2
169.10112	8.0
170.05226	3.3
171.10229	5.8
171.11693	8.7
173.09569	4.2
173.11835	3.7
175.07549	4.6
175.11176	9.2
177.09094	5.4
183.11797	5.0
185.09668	13.2
189.09259	4.2
189.11238	19.3
190.05051	7.5
193.12234	4.3
215.14365	9.2
219.13884	6.1
233.15309	18.8
237.14946	9.6
243.17447	9.7
253.15860	24.6
261.18475	12.1
271.16919	38.2
275.20090	10.9
289.17972	100.0
297.12228	4.5
307.19019	66.6
307.22159	3.1
325.16568	7.0
325.20264	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2008
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03939	2.1
55.01871	2.6
55.05516	7.2
57.03427	3.4
67.05505	28.2
69.03407	1.5
69.07065	13.9
71.04977	4.2
71.20216	2.4
72.31472	1.1
76.71759	1.0
79.05489	17.9
79.05921	2.0
80.42433	1.0
81.03416	5.9
81.07055	22.6
81.34525	1.1
83.04964	5.0
83.08630	2.0
91.05476	7.3
93.07044	16.2
95.04961	7.3
95.08605	100.0
97.06506	4.3
97.10149	1.4
105.07030	11.8
106.07358	1.5
106.95925	1.4
107.04938	4.3
107.08577	5.8
109.06529	5.7
109.10133	3.2
111.04443	1.4
111.08105	2.5
112.69386	1.0
113.09637	1.2
117.07025	3.4
119.08572	4.6
121.06515	4.0
121.10117	6.2
123.04454	1.5
123.08053	17.9
123.11689	1.7
127.09598	1.2
129.06947	1.2
131.08568	2.5
133.06514	2.6
133.10123	4.3
135.08037	4.7
135.11664	2.0
136.08400	2.7
137.09595	1.5
139.07430	1.2
139.11200	2.8
141.09102	5.6
143.08572	1.3
145.06450	1.8
145.10121	3.2
147.11697	1.4
149.09619	2.1
151.07552	1.4
155.08592	1.3
159.08157	2.2
159.10175	36.0
159.11635	3.1
161.09702	1.3
161.13278	1.3
163.11281	1.6
171.11639	1.4
175.11108	1.8
194.99043	1.2
207.13895	1.5
209.11743	4.2
233.18990	1.8
243.17375	1.4
261.18546	10.2
271.17111	1.4
279.19565	10.8
289.17978	3.8
307.19113	8.0
325.20190	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	325.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.8
55.01868	3.9
55.05501	6.5
56.96555	4.1
57.03426	5.1
64.72423	1.0
65.03927	1.8
67.05508	14.2
68.10632	1.2
69.03432	2.2
69.07054	4.1
69.36113	4.9
69.36539	7.1
70.06583	2.4
71.04984	1.4
79.05491	13.3
81.03412	3.0
81.07058	17.0
83.04980	3.8
83.08597	1.4
85.02912	2.0
85.06553	1.7
91.05490	11.3
93.07045	12.6
95.04976	5.0
95.08607	8.7
97.06544	3.8
97.10178	1.7
105.07025	8.0
107.04949	8.6
107.08591	4.2
109.06518	4.2
109.10159	4.7
111.08131	1.5
115.05396	1.9
117.06998	3.0
119.08581	6.0
119.51575	1.5
121.06531	3.6
121.10146	5.4
123.08092	4.4
129.07028	4.1
131.04904	1.4
131.08571	6.5
133.06532	1.9
133.10139	3.9
135.08073	3.2
135.11676	2.8
139.11208	1.4
145.06433	1.5
145.10115	2.6
147.11682	3.3
149.09633	2.8
157.10172	1.8
159.11700	2.1
161.09621	2.5
165.12721	1.3
171.11740	1.5
173.09946	1.3
173.13258	1.3
175.11194	2.2
187.14758	1.2
189.11301	1.3
189.12842	1.6
191.10643	1.4
193.12274	1.6
233.15396	3.4
251.11220	2.9
255.17482	1.8
265.08704	2.0
269.12415	7.6
272.20175	2.2
273.18555	3.6
287.13449	9.6
288.13660	1.6
289.17935	4.2
290.21133	2.6
291.19635	2.0
307.19159	3.6
310.15155	1.4
325.16241	100.0
325.19937	9.8
326.16544	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.01871	2.1
55.05492	0.5
55.65150	0.3
57.03437	3.3
59.04991	0.4
60.04504	0.6
61.02909	0.8
65.83991	0.3
67.05486	0.4
69.03426	15.6
69.76839	2.1
70.06572	1.2
71.01324	0.8
71.04983	5.4
72.08131	0.9
72.42837	0.3
73.02892	1.1
75.04460	0.4
81.03410	18.8
81.07043	0.3
83.06097	0.4
84.04484	0.5
85.02886	0.6
86.09673	1.0
87.04469	0.5
87.73286	0.3
91.05462	1.3
95.06097	3.2
96.05838	0.3
96.06415	1.4
99.04444	6.8
103.05449	0.4
107.04945	2.7
107.08556	0.4
114.07498	0.5
116.04968	0.8
117.05469	2.1
118.06535	5.9
119.04923	0.3
121.02850	0.5
134.06071	0.4
137.05951	0.4
140.95480	0.3
145.07585	6.9
147.09155	8.5
162.07864	1.4
163.03888	1.1
163.08659	1.4
173.07097	12.3
175.08679	6.4
175.11102	0.6
190.05006	0.4
191.08142	100.0
192.08453	1.5
203.08133	0.7
205.09669	1.0
215.11823	0.4
219.13420	1.0
233.09267	0.8
260.18311	0.4
271.10812	0.8
278.19479	0.6
289.11838	1.9
307.12857	31.0
308.13052	0.6
313.58789	0.4
325.13947	18.8
325.22943	3.8
326.14218	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.3
55.01897	2.0
55.05526	1.3
55.93525	1.5
56.94327	1.9
56.96568	1.3
57.03435	5.6
60.04540	0.6
61.02953	2.7
65.03951	1.4
67.05521	1.3
68.05016	0.8
69.03423	11.9
69.07087	0.7
70.06593	7.9
70.95872	1.3
71.04997	3.0
71.17607	0.9
71.93031	1.0
72.08173	1.5
72.93781	6.4
73.02934	1.8
75.04513	0.7
79.05527	1.9
81.03413	4.7
81.07053	1.4
83.06129	2.3
84.04525	3.4
84.08132	4.7
85.02895	4.3
85.24916	0.6
86.06078	1.2
86.09718	1.3
88.96936	0.7
89.89410	0.6
90.94836	5.3
91.05474	38.5
92.05833	1.6
93.07056	0.9
95.05007	0.6
95.06085	10.6
95.08602	0.8
96.05842	1.1
96.06398	4.1
97.02918	1.2
98.97600	0.9
99.04449	3.2
102.05559	1.1
103.05470	1.4
105.07047	1.2
107.04933	5.9
107.08637	0.8
108.08119	5.2
108.95885	2.1
110.07185	0.9
112.08754	1.6
113.07150	2.0
113.09115	0.9
114.07528	0.8
116.07111	1.3
116.98629	0.7
117.07045	0.7
118.06574	2.8
119.04974	0.7
120.08137	2.7
128.96321	1.1
129.10292	0.9
130.04987	10.5
131.05017	0.7
132.06801	1.2
132.95854	2.5
134.06004	0.8
135.11752	0.9
136.07524	0.8
136.95294	0.9
137.06021	2.1
140.96413	0.9
144.95808	4.8
145.02834	0.6
145.07613	8.5
146.97403	1.3
147.04439	0.9
147.09161	74.2
148.09537	0.6
148.98982	2.0
150.12804	1.7
150.96919	1.9
152.14337	12.3
158.97383	8.5
159.09207	2.3
162.96913	4.4
163.03903	0.9
163.07513	1.0
164.99968	0.9
168.95845	1.8
170.97372	0.9
173.07140	2.4
174.96895	2.5
175.08713	1.4
176.98441	5.0
177.05367	0.9
177.15587	0.6
178.03752	0.7
185.10794	0.9
186.96893	4.2
190.09752	1.5
191.08147	100.0
192.08533	2.4
192.11188	0.6
192.72444	0.6
192.99527	1.7
193.08701	0.7
193.13391	1.5
196.16966	4.0
201.05469	1.3
204.97954	1.7
207.00987	1.6
216.98004	3.1
216.99861	0.7
219.11446	0.6
222.06703	0.8
223.00467	1.0
223.07382	0.6
231.94186	0.7
232.97502	1.1
234.98946	15.7
236.20135	0.8
252.99933	3.0
253.67389	0.6
258.00635	1.1
263.13803	1.8
264.15936	1.6
265.08575	0.8
278.19373	3.1
281.14871	41.7
281.18460	13.4
281.21957	2.1
307.02649	1.3
307.09634	1.0
307.12836	10.2
308.20352	1.8
325.03653	21.8
325.13809	61.3
325.23495	10.2
326.03787	2.0
326.14291	1.2
348.05176	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01653	1.4
55.01868	2.8
55.03012	1.3
56.96563	12.4
57.03436	10.9
61.02920	3.0
69.03415	5.8
69.04540	3.2
69.99215	7.7
70.06569	1.9
71.01352	2.4
72.08133	1.4
73.02907	4.3
79.05480	1.8
81.03368	1.6
84.04499	2.2
84.05606	2.5
84.08144	3.9
84.96049	2.3
85.02901	9.9
94.04049	3.3
96.05611	7.1
97.02904	4.4
98.03541	7.9
98.21354	1.8
98.97581	12.3
99.06696	1.7
106.04028	2.2
107.04937	11.6
108.04416	1.4
109.05093	2.2
110.07112	2.2
110.97594	4.0
111.06700	1.6
112.05114	2.1
113.04562	1.8
114.05585	1.7
115.03934	2.1
116.98598	10.0
121.05105	19.8
122.03496	2.3
123.06675	5.5
124.05062	3.4
125.04597	5.5
125.06953	16.8
126.05373	18.7
126.07714	2.2
127.03839	1.5
127.06159	7.0
128.98595	12.4
133.05009	6.2
134.99658	4.8
135.06635	1.5
136.06178	30.0
137.04558	3.0
138.07748	8.3
139.06148	2.4
143.00143	3.3
143.05663	1.5
146.99641	11.8
148.06166	33.9
149.04593	10.9
150.07730	4.5
151.06134	8.1
151.07227	3.1
152.05632	4.4
152.24297	2.1
152.98666	1.5
153.06442	17.8
154.07245	3.2
158.99680	1.9
160.06154	3.1
160.77440	1.4
161.01172	2.8
163.03792	1.7
163.07372	1.5
165.00684	2.4
165.08826	11.7
166.07249	11.9
170.99658	3.3
175.07237	3.9
176.05667	17.9
177.08868	4.6
177.15010	1.7
178.07219	3.2
181.01678	1.4
189.00697	2.6
193.08318	100.0
201.00735	1.9
202.13330	1.4
211.81859	1.3
214.06721	1.6
219.01768	9.2
219.13354	1.7
235.09375	3.3
237.02806	29.6
255.03889	3.1
266.08789	1.5
280.10477	1.7
297.13083	2.7
320.35941	1.6
325.02347	2.9
325.05927	9.0
325.09167	3.5
325.12415	15.5
325.18378	2.7
343.06992	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1178
Annotation	Mycocyclosin
Peak:m/z	Relative Intensity
53.03922	1.0
54.98549	0.7
55.01848	1.0
55.05495	1.6
56.05018	1.3
56.72702	0.7
56.96536	3.0
57.03409	0.8
57.07041	0.9
65.03916	1.7
67.05509	5.2
69.03400	2.0
69.07064	5.5
69.34913	6.5
70.04044	2.2
70.06556	1.3
73.02904	0.8
77.03895	1.0
79.05484	9.3
80.04993	1.8
81.03382	2.4
81.05755	2.7
81.06657	0.8
81.07051	10.4
82.06557	5.5
83.04974	1.5
83.08614	1.7
84.96018	0.7
89.03909	9.3
91.05473	3.7
93.05747	2.3
93.07035	5.7
94.06567	9.4
95.04971	3.6
95.07305	0.7
95.08600	6.6
96.08124	17.2
97.02859	2.0
97.06506	1.2
98.97567	1.7
103.05433	1.3
104.05020	1.2
105.06998	2.2
106.06559	8.4
107.04967	4.1
107.08603	3.6
108.08113	13.7
109.08492	0.8
109.09533	0.7
109.10154	7.0
110.07126	2.0
110.97565	0.9
111.04375	0.8
116.04973	30.6
116.98586	1.4
117.07012	0.7
118.06500	1.4
119.08521	1.7
120.04450	2.1
120.08099	4.0
121.02949	0.8
121.06463	1.1
121.10137	4.2
122.06028	12.9
123.08009	0.7
123.11734	1.0
124.07583	63.2
125.07870	1.4
128.98570	1.5
130.04967	0.9
132.04463	1.0
134.06009	4.7
134.09634	0.7
134.99655	0.9
135.11684	1.4
136.07559	14.8
138.05499	0.9
138.09096	1.3
139.11174	1.3
144.04440	21.2
145.02811	1.2
146.06001	8.5
146.99620	1.7
148.07561	4.8
149.13225	1.3
151.11166	1.1
152.07068	9.3
153.12735	1.4
160.03926	1.3
162.05498	5.0
163.03857	1.3
172.03922	16.5
174.05510	2.0
182.09737	0.8
190.04974	100.0
191.05380	2.1
195.09137	2.4
203.00969	1.4
204.01903	1.2
206.09808	0.9
207.09155	2.2
208.09871	2.1
209.10695	1.5
210.11357	1.2
211.08665	0.7
221.10844	1.9
223.08635	3.0
223.12270	2.1
224.09514	1.0
226.10909	1.1
233.15359	0.9
234.09091	1.2
235.08662	2.3
236.09438	4.0
237.02834	0.9
237.10133	4.3
239.11781	1.2
251.11800	5.1
252.08954	2.3
253.13297	0.9
263.08072	0.8
264.08844	1.7
265.09717	1.7
267.03305	1.6
267.11349	1.0
269.12784	1.6
277.97070	0.8
279.11243	9.5
281.12833	2.4
285.79770	0.7
296.11484	1.3
297.12305	27.7
298.12653	1.0
302.93921	0.7
307.10678	4.0
315.04892	3.3
315.13345	1.0
323.06006	1.5
325.11819	45.1
325.15884	3.6
325.20035	1.8
326.12177	2.0
343.12921	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	325.1178
Annotation	Mycocyclosin
Peak:m/z	Relative Intensity
53.03925	1.7
55.01863	2.9
55.05508	3.3
57.03423	3.7
61.82144	0.5
65.03924	2.2
65.37447	0.5
67.05499	7.6
69.03426	0.9
69.07044	2.2
69.95276	0.5
70.66381	1.7
71.04979	1.1
74.26141	0.6
79.05054	0.7
79.05482	8.3
80.04996	1.9
81.03411	4.9
81.05779	2.4
81.07046	7.4
82.06574	5.2
83.04958	2.3
83.08608	2.2
85.02901	0.6
85.06512	0.6
89.03916	8.0
91.05475	5.5
92.04947	0.9
93.03392	1.4
93.05778	2.7
93.07030	5.7
94.06016	0.7
94.06560	9.7
95.04964	12.1
95.06005	0.6
95.08600	4.9
96.04485	0.9
96.08122	18.0
97.06506	1.5
97.10155	3.3
99.84489	0.6
103.05426	1.3
104.04948	0.9
105.04489	0.6
105.07008	3.2
106.06542	7.2
107.04945	6.0
107.08543	3.7
108.08109	13.5
109.06496	3.8
109.10124	2.1
111.04401	0.7
111.08031	0.9
113.05979	0.8
116.04970	28.2
117.03339	0.6
117.06960	1.5
118.06519	2.0
119.08546	2.9
120.04487	2.9
120.08081	4.1
121.06504	7.1
121.10112	2.0
122.06028	14.2
123.08087	2.7
124.07580	63.4
125.09620	3.1
129.06993	0.6
130.02744	0.7
130.06581	0.6
131.08551	1.9
132.04382	1.2
132.08054	0.9
133.10106	1.4
134.06029	3.3
135.08041	2.2
135.11673	1.5
136.07567	19.5
137.09607	2.3
138.05492	0.8
138.09143	1.3
141.07024	0.9
143.07085	0.5
144.04434	22.7
145.10095	1.2
146.05998	11.7
147.08003	1.4
148.07530	4.7
149.09584	0.9
151.07468	0.7
152.07054	8.6
153.09103	1.4
155.08492	0.7
157.10092	0.8
158.97620	13.5
159.08026	1.6
159.11612	0.6
160.03949	2.5
162.05504	3.7
163.03867	1.0
163.11151	4.0
164.07063	0.6
165.12808	0.7
169.12236	0.8
170.89865	0.6
172.03909	15.5
173.09647	0.9
174.05528	3.2
178.04980	1.0
181.07512	1.1
181.08920	1.0
181.12051	0.8
182.09682	0.8
183.09108	0.8
189.11153	1.3
189.12701	1.0
190.04976	100.0
191.05316	1.7
191.07207	0.7
191.14282	0.9
193.07530	1.0
195.09148	2.1
196.07515	0.6
196.09888	1.8
205.12166	1.3
206.09770	1.0
207.09171	2.6
208.09875	1.4
209.07137	1.3
209.10703	1.8
211.12379	1.6
212.09444	0.9
219.13771	1.2
221.07138	0.7
221.10664	1.0
222.07874	0.7
222.11449	0.9
223.08617	1.7
223.13495	5.5
224.09470	1.0
225.10320	0.9
229.13342	0.8
233.15311	2.0
234.09113	1.1
235.08626	2.4
236.09444	6.0
237.10136	1.8
238.10954	1.1
239.11694	0.8
243.17401	0.8
249.10143	1.1
251.11800	4.3
252.08969	2.5
252.12558	0.6
253.13353	0.7
261.18408	1.3
263.08124	1.1
264.08936	2.1
265.09628	1.3
267.11322	0.7
269.12799	1.1
271.16940	1.9
278.10748	0.6
279.11279	9.9
282.09827	1.0
289.17984	5.0
296.11472	0.9
297.12314	27.6
298.12781	0.8
307.10782	4.6
307.19019	6.5
315.13245	1.5
325.11789	47.2
325.19348	2.9
326.08127	5.4
326.12204	2.0
343.12851	9.3
344.13098	0.7
347.73947	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03892	0.7
56.96513	0.7
57.03373	0.7
63.04503	0.5
69.03376	1.0
71.04955	0.5
71.58344	0.9
81.03411	6.7
84.04445	0.6
85.02852	0.6
85.98758	0.4
97.02823	1.0
98.97490	1.4
99.04372	0.5
109.02876	7.0
116.98533	2.0
118.03471	0.5
119.01911	5.2
120.95361	0.8
121.01558	0.6
131.01811	1.2
134.99614	1.5
135.29367	0.6
137.02858	1.9
142.03427	0.8
146.42674	0.5
156.97470	15.8
157.03387	1.1
157.97522	0.6
159.06102	0.9
160.04489	1.0
167.01813	0.7
174.98532	24.4
175.98607	1.1
177.00928	8.3
178.00906	0.9
179.00693	0.5
179.99066	0.8
183.06136	3.4
184.96906	0.7
185.02921	1.4
186.02847	0.5
192.98946	0.6
194.99109	2.4
198.98547	6.8
199.98581	0.6
201.00943	0.7
201.07219	4.2
202.97914	0.8
209.00610	0.8
210.98439	0.8
213.00114	2.8
216.99332	3.5
217.03932	1.1
218.03558	1.2
218.99010	1.0
219.02005	11.3
220.02094	2.2
221.01999	1.0
222.01895	2.9
222.98399	2.0
224.99924	3.2
227.01604	1.4
228.97546	0.8
235.00006	13.2
236.00012	1.5
237.00119	2.9
239.01671	0.5
240.99059	2.3
241.99623	0.9
243.02078	1.8
246.98544	2.4
253.01073	4.6
258.97784	0.7
258.99985	19.2
259.97672	0.6
260.00156	1.8
260.04562	1.5
261.00226	1.3
261.03033	23.0
262.03226	0.8
263.02927	0.7
264.99442	12.3
265.99557	0.6
270.98773	0.6
273.98804	1.2
277.01047	26.0
278.01031	2.4
282.01550	0.6
283.00156	51.3
283.05981	4.3
284.00150	4.3
284.04617	0.8
285.00497	0.6
292.00021	1.3
295.01682	0.7
301.01086	100.0
301.07089	2.3
301.97781	1.7
302.01224	10.4
302.05701	2.1
303.01321	0.7
310.95972	1.2
311.46552	0.5
319.02133	7.9
320.02283	1.5
324.02734	2.2
325.01654	45.5
326.01770	3.3
326.11893	1.7
343.02170	25.6
344.02454	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	325.0683
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	17.5
65.56297	12.9
69.03413	36.5
70.06557	15.5
71.56976	16.8
71.57314	16.2
72.08142	23.6
73.02915	15.4
81.03444	13.6
84.08134	58.1
85.02902	74.3
94.92994	20.4
97.02850	20.0
98.97583	24.2
101.79745	13.8
107.04948	24.9
110.07146	15.3
115.03973	12.8
116.98663	18.9
127.03922	38.3
137.57945	15.3
145.04927	22.5
223.03835	14.2
227.33636	15.6
264.02280	20.1
325.03897	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2896
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
54.55815	0.7
55.01898	0.6
55.05515	6.3
57.07073	1.1
60.20114	0.6
62.06089	100.0
65.03940	1.1
67.05507	16.9
69.07066	7.5
71.08652	0.8
71.58733	0.7
71.59156	1.1
79.05502	5.3
81.07064	16.6
83.04990	0.9
83.08614	3.7
91.05495	3.5
93.07056	4.6
95.08607	14.4
97.06506	1.1
97.10173	1.6
98.06047	0.7
104.29897	0.6
105.07057	2.9
107.08618	2.6
109.10146	6.1
110.86807	0.7
119.08598	1.4
121.10165	2.1
123.11738	2.1
133.10155	2.3
135.08112	1.3
135.11685	1.9
137.13257	1.1
147.11662	0.8
149.13300	1.4
161.13289	1.3
240.63371	0.8
245.22769	1.9
263.23700	1.1
306.28052	3.1
307.26401	2.9
324.28705	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	325.0681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	6.2
56.96560	43.5
57.03426	7.4
61.02925	3.6
64.97220	1.4
69.03434	9.6
69.04572	1.9
70.06582	6.8
71.01348	1.9
71.58988	2.9
71.95247	2.4
72.08144	3.0
72.42548	1.6
73.02911	6.4
73.91755	1.4
81.03408	3.9
81.04539	1.8
83.06087	2.4
84.05631	2.9
84.08144	8.5
84.96025	12.7
85.02898	20.1
87.04456	2.2
88.28652	1.7
91.91800	1.7
94.04089	1.7
94.74178	1.7
95.04992	2.0
95.06097	4.1
96.05630	6.4
97.02888	8.8
98.03563	8.1
98.97575	41.4
99.04412	2.0
99.06711	2.7
102.97078	1.9
106.04057	2.7
107.04952	27.9
109.05125	2.0
110.07182	11.7
110.97546	18.7
112.05132	2.7
112.07654	2.2
112.99138	2.8
115.03927	4.0
116.98609	44.0
121.05096	18.9
123.04445	3.0
123.06682	6.4
124.05031	2.0
125.04577	5.3
125.06964	16.9
126.05384	15.1
127.03886	2.9
127.06162	5.5
128.98586	34.4
130.08620	1.8
131.00121	4.9
133.04994	6.6
133.05972	1.7
134.99638	31.2
136.06169	27.0
136.07706	2.2
137.04588	2.6
138.07756	3.9
139.06174	2.5
143.00174	5.1
144.98053	1.8
145.04987	3.0
146.99634	43.4
148.06175	34.3
149.01244	5.1
149.04591	9.9
149.05600	1.7
149.08229	3.1
150.07765	2.7
151.06152	7.6
151.07217	1.9
152.05667	3.7
152.98584	4.1
153.00723	2.7
153.06427	17.5
154.07227	1.9
158.99641	6.6
160.06180	3.4
161.01164	12.7
162.99242	2.8
163.03899	4.2
165.00676	8.5
165.08844	14.2
166.07246	11.7
170.99608	12.7
173.01271	1.8
175.07303	5.5
176.05655	21.7
177.00671	11.1
177.04323	3.5
177.08768	3.3
178.07280	2.6
179.02336	2.5
181.01730	4.9
189.00688	9.0
190.07013	2.1
193.08331	100.0
195.01768	2.5
197.01152	2.5
198.98930	2.0
199.04489	2.4
201.00650	3.3
202.13480	7.1
213.00694	3.1
219.01753	38.1
219.09732	2.3
223.02689	3.9
235.02863	2.1
237.02808	99.9
255.03922	10.1
260.04477	3.4
266.08902	2.0
268.10309	2.1
279.05582	1.9
283.10068	1.8
297.13116	3.2
307.04877	6.2
307.11453	3.1
325.02161	4.0
325.05966	29.8
325.09030	6.2
325.12619	10.6
325.18552	9.2
342.95538	2.0
343.07040	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	324.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
55.01872	2.0
55.05515	11.8
56.05034	7.3
56.96562	4.7
57.03429	5.2
57.07073	2.5
57.23203	1.4
67.05509	14.8
69.03424	4.3
69.07069	19.6
69.31620	15.4
70.06587	5.1
71.05013	1.8
74.06071	11.9
79.05493	21.2
81.03413	2.5
81.07062	23.5
83.04984	3.7
83.08621	5.9
84.04510	2.0
84.08147	3.5
85.06549	2.2
86.09708	4.2
91.05473	18.8
92.05827	1.7
93.07042	47.5
95.04975	6.1
95.08604	35.3
97.06526	6.5
97.10165	3.9
99.08099	14.4
102.05530	15.5
105.07042	25.3
107.04963	11.8
107.08595	100.0
109.06518	6.2
109.10149	16.9
111.08067	3.8
117.07027	6.3
119.08581	23.0
120.06590	22.7
121.06551	3.7
121.10143	50.7
122.10487	1.8
123.08095	4.5
123.11773	1.6
125.09624	2.3
129.06956	1.6
131.08572	5.4
133.10132	21.2
134.99715	1.8
135.08051	2.9
135.11699	15.8
143.08560	1.9
145.10146	29.8
147.11684	19.9
149.09621	13.5
149.13258	58.1
153.09180	1.8
157.10185	1.6
159.11681	5.9
161.13219	4.5
163.11191	32.2
163.14832	2.6
172.95230	9.3
177.12753	4.2
177.16403	22.0
184.07350	2.6
185.13289	1.7
187.14833	35.7
190.96306	6.8
193.12439	1.8
200.09235	2.2
205.15883	63.1
207.43329	1.7
219.07990	3.5
228.97821	2.2
289.18021	2.0
306.20737	2.3
324.18246	3.1
324.21912	10.1
324.25244	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	324.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12566	2.7
55.05507	11.0
56.05032	3.6
59.49696	2.3
63.97581	2.4
67.05505	37.2
69.03452	3.8
69.07066	36.0
71.59986	2.9
74.06083	5.2
79.05491	14.5
81.07054	35.5
82.07356	2.9
83.08623	6.4
87.79483	2.5
91.05499	7.6
93.07053	22.3
95.04948	3.6
95.08604	33.9
97.06539	4.4
97.10178	2.8
99.73795	2.8
100.33192	2.5
102.05560	7.1
105.07037	6.7
107.08596	20.9
109.06551	6.1
109.10157	100.0
110.10427	2.8
118.00472	2.5
119.08548	5.5
121.06535	7.6
121.10145	32.6
123.08091	7.1
123.11709	70.0
131.08580	4.3
133.10114	3.9
135.08069	9.8
135.11708	5.3
135.45741	2.4
137.09618	38.9
145.10133	4.3
147.11707	4.6
149.09615	16.7
161.13245	3.4
177.16396	22.1
177.29886	2.9
187.14906	4.4
202.44220	2.4
205.15909	10.9
233.09686	3.9
238.96988	2.8
261.92685	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	324.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
55.01870	2.0
55.05505	2.8
56.96575	0.9
57.03417	1.7
57.07070	3.4
67.05503	7.7
69.03443	0.8
69.07066	22.6
70.04096	1.5
70.06583	1.0
71.59275	1.3
72.08153	1.2
79.05483	6.4
79.05934	0.8
81.07050	11.9
83.04974	6.0
83.08601	1.2
84.08132	1.2
86.09703	100.0
91.05470	10.7
92.44632	0.9
93.07040	16.6
95.04974	3.1
95.08596	3.2
97.06517	1.6
105.07031	14.0
107.04960	2.4
107.08591	4.3
109.06504	8.2
109.10132	1.9
111.08094	3.1
115.07615	1.1
119.08572	5.4
120.97941	0.9
121.06486	1.6
123.08054	2.6
128.10706	3.9
129.01019	1.5
131.08607	4.9
132.10201	25.9
133.06487	1.4
133.10132	20.8
135.08020	1.5
141.00990	2.1
145.10126	1.6
147.11684	13.0
149.09581	1.6
149.13246	1.0
151.07564	2.3
151.11182	43.0
152.11520	1.1
157.10155	1.3
165.12714	1.8
175.11211	4.0
184.07333	1.1
193.12241	4.5
197.07288	5.4
197.11588	1.2
212.94576	0.9
222.14952	1.5
233.09700	1.5
244.56035	1.0
245.33064	0.8
260.20035	4.9
278.18106	1.3
278.21158	26.3
306.20737	5.2
324.11163	3.0
324.18054	2.2
324.21640	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	324.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74639	1.7
53.03934	5.0
55.01859	3.7
55.05505	13.9
56.05040	10.2
56.96563	6.3
57.03420	6.6
57.07055	2.4
65.03931	2.2
67.05502	16.3
69.03412	3.6
69.07060	18.7
70.04072	6.4
70.06588	4.0
71.59228	2.2
72.08173	2.0
74.06084	16.2
79.05487	22.6
81.03400	3.3
81.07062	28.9
83.04970	2.5
83.08612	7.0
84.04475	2.3
84.08132	4.4
91.05476	21.7
92.05817	4.0
93.07038	56.5
95.04951	7.0
95.08600	45.5
96.08146	2.0
97.06518	7.4
97.10168	3.6
99.08087	10.2
102.05540	23.2
103.05456	4.6
105.07030	33.3
107.04961	8.6
107.08590	100.0
108.08883	3.6
109.06522	7.2
109.10151	22.8
111.08071	4.3
113.09618	3.5
117.07003	6.6
119.08597	21.3
120.06581	30.6
121.06484	4.2
121.10132	53.9
122.10484	2.2
123.08054	4.9
129.06993	2.8
131.08548	8.9
133.06493	6.5
133.10123	19.9
135.08083	4.0
135.11705	16.9
137.09584	3.7
141.20258	2.0
145.10120	32.5
147.11713	26.6
149.09584	14.6
149.13255	49.6
150.13623	2.2
154.94145	2.2
159.11670	4.6
161.13246	3.4
163.11206	31.2
167.06960	2.1
172.95239	9.1
177.16382	37.6
187.14825	36.9
190.96286	7.5
193.12148	3.3
200.09154	3.6
202.10654	3.4
205.15863	70.1
228.97789	3.1
234.07918	5.2
243.08412	3.0
244.92615	2.0
257.18423	2.2
289.18076	2.1
306.20715	3.3
316.99420	2.9
324.21909	16.2
325.16199	3.8
325.19724	27.5
336.64905	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	324.2168
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
53.03942	0.5
55.01876	1.2
55.05511	2.5
57.07070	2.1
67.05505	4.0
69.07065	14.3
70.04075	52.3
70.23895	2.2
71.04976	0.5
79.05482	4.5
81.07056	7.9
83.04983	3.1
83.08614	0.7
86.09701	100.0
87.10048	0.8
91.05474	9.2
91.06008	0.8
93.07040	13.0
95.04953	3.1
95.08599	2.1
97.06557	0.6
100.05089	2.6
105.07024	12.7
107.04958	1.0
107.08585	3.5
109.06514	9.3
109.10140	1.6
111.08068	3.2
115.07598	0.9
117.06982	0.7
119.08573	5.2
121.06461	0.6
121.10136	0.8
123.08086	1.3
125.22144	0.4
128.10695	4.8
129.07069	1.0
131.08582	2.8
132.10197	30.8
133.06525	0.9
133.10124	16.3
136.74570	0.4
141.01041	2.9
143.00764	0.6
145.10107	0.6
147.11681	12.6
149.09618	1.3
149.13286	0.6
151.07593	3.1
151.11174	41.8
154.09682	0.5
155.02582	0.6
155.64316	0.5
156.10181	1.0
157.10109	1.1
165.12752	1.7
167.02588	0.9
167.14421	0.5
169.32741	0.4
175.11163	4.7
181.04143	1.0
193.12234	5.2
196.10841	0.8
197.07208	2.1
210.14902	1.2
222.14929	1.2
260.20074	6.8
278.21136	29.4
279.21362	0.5
301.07343	0.6
306.13608	1.0
306.20633	5.5
324.14734	15.2
324.21649	14.8
325.15155	0.7
331.34125	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1958
Annotation	Carbazoquinocin E
Peak:m/z	Relative Intensity
53.03936	0.7
55.01870	0.7
55.93515	1.2
56.94290	1.4
56.96538	0.5
57.03425	0.4
67.05486	1.3
70.95865	2.5
71.40717	0.5
71.41029	0.4
72.93785	5.2
76.71287	0.3
79.05489	19.6
81.07042	1.1
83.04986	0.4
88.96886	0.9
89.24767	0.3
90.94817	3.4
91.05484	2.2
93.07036	2.0
95.04952	1.9
95.06093	0.8
95.08600	0.5
96.97433	0.3
103.05463	39.8
105.07030	3.9
107.04948	19.8
107.05695	0.6
107.08574	0.3
108.95838	1.4
113.05979	1.5
113.96389	0.4
116.96364	0.5
117.07001	0.5
118.06537	5.4
121.06544	1.5
126.98414	0.4
128.96326	1.1
130.97888	0.9
131.04924	11.5
132.08089	2.2
133.08849	0.8
134.09631	0.7
134.97398	0.9
134.98906	0.6
136.36736	0.3
138.98427	1.2
142.97905	0.6
144.95804	0.6
144.99466	0.6
146.09624	1.7
146.97389	0.8
146.98900	0.4
147.10417	0.3
148.98959	1.0
149.00366	0.4
149.06021	0.8
150.98468	0.5
151.02013	1.3
152.99915	0.4
154.97881	1.3
156.99426	0.5
159.47426	0.3
160.11227	0.9
162.96788	0.4
164.99986	1.4
165.03644	0.7
166.97914	1.6
168.99403	0.6
170.97421	0.6
172.98949	1.3
175.00684	0.6
176.14336	47.0
177.14645	0.7
178.97873	0.7
179.01443	0.4
180.99440	1.3
183.01022	0.4
184.98936	1.3
186.01241	1.1
189.03577	1.8
190.08632	0.4
192.99493	1.5
196.98952	0.5
199.00499	0.5
199.02086	1.5
201.03612	0.5
217.03133	0.6
219.04692	0.6
227.03601	0.8
233.14037	0.6
237.05730	0.8
239.03508	0.4
247.04164	0.6
253.05318	0.3
255.06822	2.1
257.08273	0.6
257.10715	0.8
263.03662	0.4
265.05188	2.4
269.10629	1.4
275.11655	0.5
280.13113	0.4
283.06250	13.3
284.06638	1.0
287.11707	1.1
301.07318	30.4
301.13162	2.0
302.07626	2.7
306.07944	0.6
314.19223	0.3
319.08337	0.7
324.09183	2.4
324.19550	100.0
325.19876	3.6
341.90912	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74767	0.1
55.05507	0.5
56.96564	0.3
57.03449	0.2
57.07071	1.1
59.04984	0.2
60.43600	0.1
67.05504	0.6
69.07063	1.3
69.48708	1.0
69.49123	0.4
70.04070	100.0
71.04992	0.2
73.06550	0.5
79.05482	0.5
79.27200	0.2
81.07055	1.2
82.07374	0.2
83.04946	0.3
83.08628	0.3
85.06533	0.2
86.03545	17.5
86.09200	0.3
86.09698	4.4
91.05470	0.7
93.07048	1.0
94.80388	0.2
95.04975	0.3
95.06080	0.8
95.08605	0.5
98.03571	0.2
99.08083	0.6
103.05441	0.3
105.07022	0.7
107.04953	0.2
107.08584	0.3
107.48106	0.2
109.06506	0.6
109.10111	0.3
110.07154	0.2
112.05102	0.2
115.05442	0.4
116.06204	0.3
119.08552	0.3
121.10146	0.3
125.01533	9.7
128.06239	0.5
128.10765	0.2
129.06976	0.4
130.07770	0.4
132.10158	1.2
132.11003	0.1
133.10133	1.1
135.08144	0.2
136.08685	0.1
139.03070	1.7
140.99167	0.3
141.00998	0.2
142.07788	0.3
143.08568	0.4
143.14072	0.2
144.09351	0.7
145.06479	0.2
145.10077	0.2
147.11714	0.6
151.03079	2.6
151.11172	3.0
163.03110	0.6
165.04639	1.3
168.11377	0.7
177.04665	0.6
179.06224	2.5
181.04114	1.1
193.12238	0.3
196.10825	0.4
199.07031	0.2
215.17943	0.2
250.08865	0.3
255.09413	0.3
260.20203	0.3
269.10504	0.2
274.18829	0.2
278.21191	1.9
287.11810	0.2
301.13150	0.2
306.13525	0.2
306.21054	0.3
324.14709	31.6
324.22546	1.1
325.14981	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.147
Annotation	histidyltryptophyldiketopiperazine
Peak:m/z	Relative Intensity
53.03934	0.8
55.05511	2.1
56.96555	0.5
57.07075	5.7
59.05003	0.8
63.16357	0.3
67.05499	1.4
67.22885	0.4
69.07063	9.4
70.04073	100.0
70.07833	0.6
71.59931	0.6
77.67076	0.5
79.05485	1.0
81.07056	1.4
83.08612	1.1
85.09332	0.4
93.07033	0.7
95.04980	0.9
95.06047	0.5
95.08596	0.5
97.10174	0.5
99.08093	1.7
100.05098	3.5
105.07022	0.7
107.04926	0.4
107.08594	0.8
113.01551	1.0
115.05456	0.9
115.07560	2.0
116.06207	0.5
125.01540	7.0
126.99483	1.0
129.01035	1.5
129.07039	0.8
131.08549	0.4
132.05670	0.7
133.32240	0.4
139.03076	2.9
141.01015	12.6
142.07715	0.4
150.10320	1.9
151.03069	2.5
155.02585	1.0
155.48848	0.4
156.95081	0.4
163.03105	0.9
165.04655	0.4
166.13388	0.6
167.02574	1.5
168.11304	6.0
169.04259	0.4
176.59435	0.4
177.04642	1.0
181.04146	1.0
181.07863	0.5
184.25423	0.4
184.74521	0.4
191.06096	0.4
196.10776	0.7
197.07265	5.4
199.53764	0.4
203.30548	0.4
207.09430	0.5
210.04308	1.0
219.09282	1.9
225.06616	0.4
250.03490	0.4
277.31876	0.4
288.12595	8.8
306.13776	3.7
324.11084	2.8
324.14688	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	324.1471
Annotation	histidyltryptophyldiketopiperazine
Peak:m/z	Relative Intensity
50.38353	0.1
55.05503	0.3
56.96568	0.3
57.07072	1.1
59.05001	0.7
66.93665	0.1
67.05500	0.2
69.07063	0.3
70.04070	100.0
70.43433	0.2
70.43838	0.2
71.04389	0.2
79.05490	0.2
81.07069	0.2
83.08621	0.6
84.05618	0.2
91.05479	0.2
93.07064	0.1
95.04959	0.2
95.06073	0.2
95.08605	0.1
103.05460	0.2
105.03382	0.1
105.07061	0.1
107.08554	0.1
109.10148	0.2
111.87373	0.1
119.08542	0.1
127.11196	0.1
131.04929	0.6
132.05699	1.8
141.01004	10.0
145.06488	0.2
146.07271	0.3
155.02550	0.3
159.18723	0.1
167.02580	2.7
170.69751	0.1
181.04112	0.4
185.92496	0.1
231.09074	0.3
244.76224	0.1
257.10544	0.6
269.10529	0.7
275.11539	0.5
278.97711	0.1
283.12097	0.1
287.11630	0.6
301.13116	1.0
302.90726	0.1
306.13678	0.3
324.14703	29.1
325.15088	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03446	0.6
55.02992	5.2
55.05517	0.7
57.06812	0.7
57.07071	7.7
58.13377	0.4
69.07062	24.3
69.92316	2.2
70.04078	2.9
70.07837	1.2
82.04057	12.8
83.04839	5.7
84.05615	1.3
87.08093	0.9
91.05488	0.6
94.04188	0.4
94.78485	0.4
95.04926	0.4
97.06496	0.5
99.00033	1.0
100.05096	100.0
113.01535	0.6
115.07567	6.2
126.99431	2.1
129.01030	4.1
135.08040	2.6
141.01013	6.7
146.07103	1.6
154.09743	5.2
155.02577	1.4
168.11298	1.1
174.06595	1.8
175.07399	1.6
196.10809	17.6
197.05443	0.8
197.07281	15.7
210.04277	52.8
211.04672	0.7
225.06720	1.6
250.03838	0.8
270.56866	0.4
278.10434	1.7
293.13940	0.4
306.10074	0.5
324.11072	31.4
325.11282	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03446	0.6
55.02992	5.2
55.05517	0.7
57.06812	0.7
57.07071	7.7
58.13377	0.4
69.07062	24.3
69.92316	2.2
70.04078	2.9
70.07837	1.2
82.04057	12.8
83.04839	5.7
84.05615	1.3
87.08093	0.9
91.05488	0.6
94.04188	0.4
94.78485	0.4
95.04926	0.4
97.06496	0.5
99.00033	1.0
100.05096	100.0
113.01535	0.6
115.07567	6.2
126.99431	2.1
129.01030	4.1
135.08040	2.6
141.01013	6.7
146.07103	1.6
154.09743	5.2
155.02577	1.4
168.11298	1.1
174.06595	1.8
175.07399	1.6
196.10809	17.6
197.05443	0.8
197.07281	15.7
210.04277	52.8
211.04672	0.7
225.06720	1.6
250.03838	0.8
270.56866	0.4
278.10434	1.7
293.13940	0.4
306.10074	0.5
324.11072	31.4
325.11282	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54868	0.6
53.00298	0.6
55.02986	0.7
55.05508	1.9
55.70155	0.5
55.88850	0.5
57.07071	29.1
62.09486	0.5
65.85477	0.5
67.05502	2.0
69.07063	100.0
70.04071	2.3
70.07429	0.9
70.07846	6.6
71.05183	1.2
79.05505	0.5
82.04050	0.8
84.05623	0.9
85.06554	0.5
86.99989	0.6
91.05469	1.0
93.07065	0.6
95.04925	1.2
95.06089	0.6
98.99987	4.4
100.05108	12.4
103.03168	0.8
107.04988	0.6
111.04446	0.8
113.01560	2.3
113.05849	0.8
115.07561	20.3
118.09567	0.5
126.99460	10.6
129.01033	15.2
135.04102	0.5
135.08054	1.5
139.00562	1.3
140.04555	1.5
141.01010	17.5
154.09740	2.8
155.02570	8.2
164.08154	1.1
168.11276	0.7
169.04117	3.8
172.51334	0.5
178.09740	0.6
179.10536	1.4
190.09880	0.6
196.10815	6.8
197.07275	58.0
197.11531	1.4
198.07596	1.2
207.05731	2.0
210.04277	1.9
220.02704	0.8
225.06773	3.7
252.07133	0.6
264.08914	1.4
276.22809	0.5
290.90082	0.5
306.10086	1.3
324.11066	36.1
325.11356	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03465	0.8
55.02985	4.0
55.05492	1.5
57.07068	12.1
67.05484	1.8
68.01608	0.5
69.07060	33.7
70.04072	5.8
70.07832	1.8
71.20947	1.1
71.21288	0.5
78.92067	0.5
79.05463	0.7
81.07013	0.7
82.04060	7.2
82.07352	0.5
83.04831	4.5
84.05630	0.7
87.08078	1.2
93.07036	0.6
95.04978	0.6
95.06074	0.7
95.08530	0.6
97.06493	1.1
98.99997	1.2
100.05091	100.0
103.22629	0.5
105.07061	0.6
106.07385	0.7
113.01559	0.9
114.03024	0.9
115.07562	9.2
123.08030	0.6
124.71183	0.6
126.99439	3.1
128.04561	1.7
129.01031	5.2
135.08046	0.8
138.09099	0.6
141.01003	8.3
146.07114	0.9
150.10208	0.5
154.09744	5.1
155.02567	2.5
168.11337	1.1
169.04094	0.5
171.96733	0.5
174.06615	1.4
174.36197	0.6
194.15483	1.1
196.10802	17.7
197.05458	0.8
197.07268	20.6
210.04271	40.4
222.04285	0.6
225.06714	1.9
250.03917	0.9
278.10535	0.9
301.10858	0.8
306.09924	0.7
324.11072	34.9
325.11243	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.8
55.05500	3.4
55.93517	2.8
56.94294	3.3
56.96554	5.0
57.02470	1.6
57.03431	1.6
57.07074	8.2
67.05516	5.7
69.03421	2.1
69.07066	25.9
70.04078	3.3
70.07827	1.5
70.73239	2.4
70.95850	5.8
72.08162	1.8
72.93787	19.4
79.05482	3.7
81.03399	4.7
81.07045	5.6
83.04979	1.8
83.06098	1.5
88.96902	3.4
90.94822	10.8
91.05466	4.6
93.07016	1.7
95.06101	9.1
95.08627	2.7
100.05071	4.5
103.05416	1.6
105.07008	1.9
107.04948	2.7
107.08556	1.2
108.02276	1.1
108.95850	4.8
109.10128	1.5
113.96414	1.5
115.07556	4.9
116.96371	2.0
121.06509	1.4
126.98394	2.4
126.99422	1.8
128.27922	1.3
128.96353	3.5
129.01016	3.6
130.97858	1.6
131.08554	1.4
132.35542	1.2
132.95825	1.2
133.10184	1.5
134.97379	3.4
135.36310	1.1
136.95332	1.5
138.98395	3.5
141.01027	4.6
142.58267	1.2
142.97916	2.0
144.95857	1.5
144.99463	3.2
146.34415	1.2
146.97420	3.2
148.98946	2.6
150.96886	1.6
150.98390	1.8
151.02034	3.8
154.97887	5.5
155.02544	2.1
156.99416	2.8
159.00996	1.7
162.96896	3.4
164.99980	3.0
165.03654	6.2
166.97945	3.7
168.99524	2.6
170.97459	2.2
172.98941	3.4
173.66321	1.3
175.00587	2.0
176.14287	2.1
178.97935	2.2
183.01204	1.9
184.98914	4.2
186.01262	2.7
187.00505	3.4
189.03680	1.9
192.99460	1.7
195.00958	1.6
196.98933	2.0
197.07263	13.2
199.00414	2.7
199.02194	4.0
200.73428	1.4
209.02747	1.3
211.00519	1.7
213.02177	1.8
217.03296	1.9
217.07504	1.5
225.01961	1.4
227.03706	7.8
231.09023	3.1
237.05717	2.2
247.04100	1.3
250.14311	1.4
251.09694	1.6
253.05260	4.3
255.06746	2.8
257.10611	11.2
265.05219	12.9
269.10623	14.7
275.11612	8.9
277.19073	2.5
281.04742	1.8
283.06262	100.0
283.12186	3.9
284.06552	3.4
287.11569	12.1
301.07367	36.7
301.13086	22.5
306.07672	2.5
319.14105	1.2
324.08810	5.9
324.11407	3.8
324.14743	4.5
324.19196	2.5
324.23029	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	324.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.3
55.05506	1.9
55.93515	2.6
56.94306	2.5
56.96557	3.1
67.05515	4.3
69.03438	2.1
69.07050	2.7
69.61291	5.9
70.04073	7.9
70.06591	1.4
70.95525	0.9
70.95858	5.0
71.04994	1.0
71.93000	1.1
72.93788	13.9
79.05485	3.8
81.03422	5.8
81.07044	4.6
82.06570	1.8
83.04966	2.1
83.08592	1.0
84.08128	1.7
85.02893	3.6
85.06520	1.0
86.09689	2.2
88.96907	2.3
90.94823	9.9
91.05476	5.8
93.07038	3.4
94.06543	2.0
95.04977	2.5
95.06065	5.5
95.08601	3.3
96.08128	2.5
98.97572	1.6
105.07038	2.5
106.98009	1.1
107.04946	7.7
107.08595	2.3
108.08102	2.1
108.66653	0.7
108.95865	3.1
109.06535	1.3
109.10153	1.5
112.08800	0.9
113.07104	1.2
116.04993	2.2
116.96349	1.9
116.98563	1.3
117.06989	0.9
119.04941	1.0
119.08569	1.6
120.08021	1.4
121.06503	5.1
122.05995	1.5
124.07603	5.9
126.98371	1.4
127.01206	1.0
128.96330	3.1
130.97917	2.0
131.00171	0.9
131.04916	1.0
131.08527	1.0
133.10127	0.9
134.97444	2.4
134.98866	1.1
136.07602	2.2
136.95329	1.4
138.98405	3.4
140.96272	1.1
142.97845	1.0
144.04436	2.1
144.95792	2.4
144.99487	1.7
145.10051	1.2
146.97420	3.7
148.07579	1.0
148.98961	3.4
150.61375	1.0
150.96928	1.2
150.98410	1.7
151.02086	1.2
151.03969	1.3
152.07030	1.5
153.88609	1.0
154.97899	3.5
156.99438	1.2
158.97440	1.8
159.01035	2.0
160.99026	1.6
162.96861	2.4
164.99971	2.3
166.97913	2.7
168.99475	1.7
170.97421	1.2
172.03986	1.5
172.98988	5.0
177.05421	1.9
178.97832	1.3
179.01570	1.0
180.99449	3.0
183.00958	1.9
184.98978	4.5
186.01271	2.3
187.00420	1.8
187.01962	0.9
188.98448	1.6
189.00021	1.1
189.03696	2.4
190.04996	10.0
190.99995	1.1
192.99509	1.8
196.99005	1.7
199.00494	1.4
199.02161	2.8
201.02087	2.7
207.01044	2.4
209.02632	1.7
209.51010	0.9
215.01604	1.0
217.03154	2.5
219.04701	2.0
220.99013	1.0
221.02666	1.2
227.03650	2.9
239.09569	1.0
244.09723	1.2
247.04272	1.5
257.02472	0.8
261.02161	0.9
265.05203	23.9
265.07745	1.6
277.19211	1.4
279.11368	1.0
280.22778	6.1
283.06253	100.0
284.06628	3.9
297.12326	1.8
301.07281	21.6
305.07654	0.9
306.07837	9.9
306.20844	1.1
324.09204	3.4
324.14789	11.9
324.18655	1.4
324.21967	6.1
324.25638	1.8
325.11713	3.3
343.13242	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22980	3.9
53.03945	8.0
55.01868	8.2
55.05514	33.3
57.03444	48.2
65.03938	5.7
67.05507	63.9
67.83910	4.3
69.03430	50.3
69.07081	20.5
70.33308	4.7
71.04996	9.4
71.60103	6.2
79.05495	80.0
81.03407	12.3
81.07064	76.2
83.08619	14.2
85.06533	11.4
89.01070	3.6
91.05492	61.5
91.72140	3.9
93.07045	70.6
95.04958	23.3
95.08607	57.6
97.06519	7.6
97.10179	9.8
100.11264	3.4
100.25494	3.5
105.07043	49.5
107.04951	100.0
107.08611	38.9
109.06514	26.9
109.10164	17.4
111.08076	4.9
117.07027	25.1
119.08582	37.4
121.06535	9.7
121.10113	20.2
123.08067	6.1
129.07040	17.7
131.08598	29.7
133.06442	7.9
133.10103	19.3
133.86635	4.2
135.08041	23.9
135.11697	13.5
137.09621	8.4
143.08574	12.5
145.10104	29.3
147.08052	14.6
147.11713	10.9
149.09579	18.4
149.13251	4.7
157.10130	12.4
159.11746	10.4
161.09663	14.8
161.13254	8.7
163.11240	6.5
163.14740	4.4
171.11697	15.3
173.13312	6.0
175.11229	10.7
185.13295	9.6
187.14848	14.1
189.12750	7.2
190.19250	4.0
201.12737	5.1
205.15915	7.0
213.12796	4.4
217.15892	15.2
233.15311	4.8
245.19022	9.5
255.17421	12.1
273.18539	34.8
287.19913	4.8
291.19580	16.9
305.21185	18.6
323.18958	5.6
323.25491	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	323.258
Annotation	8(S)-HETrE
Peak:m/z	Relative Intensity
55.05506	51.6
57.03431	24.0
57.07067	10.9
64.69171	5.3
66.24563	5.1
67.05505	99.6
69.07063	59.7
71.58765	9.8
79.05492	22.7
80.98435	5.9
81.07061	93.5
83.04999	8.5
83.08624	22.9
91.05488	24.1
93.07054	33.0
95.04962	6.0
95.08601	98.8
95.09166	7.1
97.06506	9.0
97.10178	11.5
99.08069	8.3
101.05077	5.5
105.07028	17.6
107.08594	20.5
109.10155	33.9
109.77168	5.2
111.04396	6.3
114.68252	6.3
119.08581	14.5
121.10149	9.1
123.11732	14.9
133.10114	9.5
135.11729	15.9
137.09674	6.6
137.13324	9.3
147.11737	7.7
149.13208	7.1
188.32811	5.9
231.21089	11.8
249.22180	8.2
263.31616	5.3
320.20331	5.9
323.25876	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	6.6
55.05510	6.8
57.03436	25.8
57.07079	2.7
65.03944	2.8
67.05506	30.4
69.03446	1.6
69.07053	5.0
71.04979	2.5
71.58941	2.5
79.05497	10.8
81.07053	19.8
83.08620	4.6
85.06547	31.5
91.05466	12.3
93.07045	12.3
95.04967	28.6
95.08605	13.5
97.06516	2.4
98.50787	1.8
105.07019	7.2
107.04951	4.2
107.08614	8.6
109.06523	25.9
109.10146	4.0
111.08134	1.7
113.06008	100.0
117.07006	5.0
119.08582	5.1
120.72974	1.4
121.06501	2.8
121.10137	4.4
123.08022	2.0
129.06999	4.5
131.08565	7.2
133.10139	3.0
135.08061	25.1
135.11694	1.8
143.08600	1.6
145.10101	3.2
145.35367	1.7
147.08073	2.5
149.09579	4.1
157.10143	3.1
159.11708	4.1
161.09586	3.8
161.13269	2.6
169.02597	1.8
171.11748	3.7
177.12784	2.1
195.13567	1.6
199.14856	3.7
201.12874	1.6
217.15872	6.0
255.17497	1.8
273.18506	12.2
291.19559	30.4
305.20969	3.0
323.25726	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	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	19.5
55.01870	10.8
55.05506	15.9
57.03424	12.3
57.07077	5.4
60.05698	2.9
65.03948	4.1
67.05511	46.8
69.07050	13.2
69.58773	21.4
71.04988	13.2
79.05499	49.8
81.03418	42.8
81.07066	100.0
83.04973	6.0
83.08603	7.0
85.06535	8.5
87.82655	2.7
91.05479	35.6
93.07053	53.9
95.04980	18.4
95.05506	3.2
95.08618	34.4
97.06512	6.4
97.10191	3.5
99.08138	3.1
102.50644	3.2
105.07033	24.2
107.04958	22.3
107.08594	23.1
109.06527	86.5
109.10146	7.1
113.05992	5.7
117.07001	15.4
119.08579	13.1
121.06518	7.4
121.10134	13.8
123.08047	17.8
129.07002	7.2
131.08595	23.9
133.06483	6.4
133.10109	12.3
135.07095	5.0
135.08057	46.1
135.11685	23.6
137.09569	4.7
143.08591	6.9
145.06425	7.4
145.10103	11.7
147.08012	4.3
149.09608	10.3
149.13235	12.7
157.10110	5.1
159.11650	23.6
161.09642	8.6
163.11200	8.1
167.10774	4.3
169.10202	6.0
171.11717	3.2
174.68217	3.6
175.11221	3.1
177.12827	17.1
179.14328	11.2
183.11717	4.1
187.11171	4.9
199.14745	5.5
209.15401	3.4
217.15913	19.6
226.36456	3.5
245.18942	3.9
249.18359	4.5
255.17357	4.5
273.18564	27.7
305.17749	5.4
305.21121	63.4
305.24548	3.5
323.22180	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00018	2.1
53.03939	14.4
55.01867	10.6
55.03002	1.9
55.05505	19.8
56.96554	2.3
57.03437	9.2
57.06861	1.4
57.07075	15.3
59.04969	1.9
61.02900	1.8
65.03918	3.4
67.05171	2.7
67.05502	44.8
69.03401	3.1
69.06724	2.0
69.07067	34.7
69.71447	5.3
69.71864	6.1
70.04070	32.7
71.04993	14.6
73.02904	1.8
79.05054	3.6
79.05488	46.6
81.03416	23.1
81.07053	100.0
83.04987	11.5
83.08614	8.4
85.06535	8.5
91.05475	30.6
93.07035	48.8
95.04957	16.6
95.08597	30.1
97.06528	10.1
97.10137	7.1
98.20683	1.9
99.04439	2.2
99.08067	4.5
100.05096	26.6
103.05450	2.2
105.07020	24.0
107.04952	22.9
107.07977	1.8
107.08601	20.3
109.05778	3.1
109.06509	53.1
109.10145	8.7
111.04420	2.6
111.08079	5.2
113.05988	5.0
115.05424	2.2
115.07543	6.6
117.07048	12.0
119.08562	9.9
121.06480	8.7
121.10131	13.3
123.08068	14.0
125.09626	7.2
126.99426	2.3
127.07528	2.3
129.01036	3.1
129.06987	5.1
131.08554	16.2
132.42656	1.8
133.06494	2.8
133.10109	11.5
134.99721	2.7
135.08058	12.0
135.08928	2.3
135.11694	21.6
137.09612	3.8
141.00987	6.7
141.06972	3.5
143.08566	5.6
145.06493	8.8
145.10120	10.5
147.08046	5.0
147.11705	3.6
149.09605	7.1
149.13268	13.4
153.12671	2.2
155.02516	2.4
157.10110	4.4
159.08102	2.6
159.11678	19.4
161.09631	2.8
163.11186	13.7
165.09065	2.8
169.10104	4.8
169.88840	1.9
171.11655	4.3
175.11015	1.7
177.12747	21.2
179.08507	2.5
183.11798	2.7
185.13243	2.1
187.11211	13.6
193.12332	3.5
196.10835	6.7
197.07304	14.7
199.14766	2.1
205.12244	5.3
207.13742	2.2
209.15356	6.4
210.04311	12.1
217.15898	4.7
221.15387	4.5
227.17842	2.0
245.19072	2.5
246.22585	1.9
254.56451	2.1
255.17409	3.0
273.18460	13.9
291.19434	13.6
305.17728	2.6
305.21060	33.9
323.14597	3.9
323.18622	4.5
323.22180	22.5
324.11102	15.1
324.14728	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70007	0.9
53.03934	1.8
55.01864	6.0
55.05507	28.5
57.03418	1.3
57.07067	2.0
59.04999	1.4
62.06078	1.7
62.50416	0.8
67.05495	15.6
69.03419	4.9
69.07062	15.4
69.27637	10.5
71.85713	1.0
79.05053	1.4
79.05481	17.7
81.03404	3.4
81.07048	15.9
83.04967	3.6
83.08611	12.3
91.05462	11.9
93.07034	13.4
95.04966	6.7
95.08604	6.8
97.02887	3.0
97.06517	2.6
97.10160	22.8
98.21468	1.6
105.07027	8.6
107.04946	5.9
107.08582	13.7
109.02863	1.4
109.06487	2.1
109.10150	3.6
111.08060	1.8
117.06975	5.2
119.08578	6.2
119.09346	1.0
119.33068	0.8
121.06522	4.6
121.10123	3.8
123.04381	1.1
123.08047	7.2
125.08748	1.5
125.09623	20.7
129.06966	2.1
130.07777	0.9
131.08542	5.9
133.06468	3.5
133.10112	4.6
135.08017	5.8
137.09584	2.6
143.08537	2.4
143.10696	0.9
145.06577	1.1
145.10114	3.9
147.08022	3.9
147.11650	3.2
148.08899	0.8
149.09633	1.8
153.09111	3.8
156.39816	0.8
157.10086	2.2
157.12238	1.7
159.11662	1.0
161.09641	1.8
162.10370	1.4
165.09103	2.6
171.10138	1.3
171.11633	1.2
173.09547	0.9
175.11110	1.9
177.12689	0.8
189.12660	1.0
197.77870	1.0
199.07042	0.9
203.12761	10.4
223.13235	7.6
227.17770	0.9
237.14767	1.2
237.93713	0.9
245.18896	1.5
249.14890	1.7
255.17461	1.0
262.12045	0.9
273.18460	8.6
281.07028	1.0
291.19516	100.0
292.19806	1.9
305.21082	27.1
305.24612	1.5
323.22037	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	323.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14297	1.1
52.48823	1.2
53.03943	2.9
55.01849	3.0
55.05501	10.8
56.28934	1.2
56.96547	1.7
57.03424	7.5
57.07079	8.0
59.04979	3.0
65.03939	3.0
65.11042	1.2
67.05161	1.9
67.05498	23.4
69.03414	1.7
69.07063	19.8
70.04071	13.4
70.06572	1.4
71.04966	4.5
73.06551	6.5
79.05487	16.5
81.03398	2.5
81.07052	20.7
83.04973	2.8
83.08601	3.7
85.06523	5.4
86.03544	100.0
86.09689	1.6
91.05479	16.0
93.07041	17.0
95.04949	8.7
95.08603	12.9
96.40833	1.2
97.06496	3.6
97.10147	3.7
98.21499	3.9
99.08083	70.6
105.07030	12.1
107.04948	7.7
107.08594	15.8
109.06504	18.1
109.10146	3.8
111.08044	3.3
113.05977	4.0
115.05434	1.9
116.06202	1.7
117.07018	5.9
119.08581	12.6
120.08093	1.6
121.06469	4.6
121.10140	7.7
123.08076	5.8
125.01527	7.7
125.09599	2.3
127.07557	3.3
129.06970	3.9
131.08548	9.2
133.06499	2.2
133.10077	9.4
135.08038	8.4
135.11696	4.6
137.09593	3.5
138.99455	1.7
140.99219	1.7
141.01031	2.6
141.06944	1.4
141.09058	2.3
142.01395	1.6
142.07700	1.5
143.00729	1.6
143.08543	4.2
145.06473	1.7
145.10124	7.3
147.08006	4.2
147.11658	3.2
149.09602	4.7
151.03105	2.8
157.10097	5.7
159.11684	4.1
161.09586	5.3
161.13272	1.3
163.11160	3.5
168.11327	2.0
169.10214	2.1
171.11641	4.4
173.13237	1.4
175.11177	3.6
181.10063	1.5
183.11655	1.3
185.13135	1.7
194.09271	1.7
199.14735	1.5
201.12894	1.2
217.15862	3.9
223.09689	1.2
227.17932	1.9
235.16826	2.1
237.16338	1.7
245.19049	2.3
249.18607	2.0
255.17363	3.3
263.20035	2.5
273.18433	18.8
291.19473	11.6
305.17804	2.0
305.21042	14.0
323.22891	2.2
324.11365	1.3
324.14706	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.0
55.01859	8.8
55.05508	42.8
56.96548	4.8
57.03429	5.4
57.07058	7.2
57.54326	2.2
65.03903	3.2
67.05173	3.1
67.05502	49.7
69.03413	5.0
69.07059	21.5
70.04081	21.4
70.06583	3.0
70.56195	7.8
71.04974	4.5
78.45413	2.3
79.05487	50.1
81.03412	5.3
81.07053	39.4
81.13834	2.7
83.04951	7.7
83.08620	19.7
85.06505	2.8
85.64523	2.0
86.09695	2.5
91.05470	36.8
93.06463	3.2
93.07039	44.1
95.05003	14.1
95.08606	59.3
96.66275	2.2
97.06509	3.6
97.10168	29.8
98.18657	2.2
103.05490	3.2
105.07019	33.1
107.04938	14.9
107.08595	28.9
109.06503	8.5
109.10146	10.2
111.08064	6.8
115.05419	3.7
116.98637	4.1
117.07017	22.3
119.08575	38.6
121.06492	10.1
121.10142	44.0
123.08070	22.9
123.11646	2.9
125.09634	29.3
128.06255	2.9
129.06993	9.1
130.07759	3.0
131.08582	14.3
133.06519	12.1
133.10146	15.5
134.99635	3.1
135.08041	15.2
135.11684	7.0
137.09575	10.4
141.17224	2.2
143.08551	7.4
145.10118	27.4
147.08047	24.2
147.11650	5.6
149.09616	11.5
149.94652	3.8
151.07542	2.8
153.09093	5.8
155.10663	3.1
157.10094	6.9
159.08072	5.8
159.11690	8.0
161.09669	11.0
161.13301	2.8
163.11147	7.4
165.09105	4.1
169.09967	2.8
171.11653	5.4
173.13156	3.6
175.11211	6.8
176.96892	9.2
181.10089	3.3
183.11749	3.7
185.13167	3.0
195.11682	4.4
203.12747	27.4
213.16206	2.8
245.18976	3.6
249.14964	4.3
255.17351	7.9
263.20032	5.4
273.18491	33.8
277.10913	2.3
283.06378	2.3
291.19528	15.5
304.91989	2.5
305.21094	100.0
305.24594	5.7
323.18491	8.8
323.22162	40.3
324.14801	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2217
Annotation	Rapanone
Peak:m/z	Relative Intensity
51.97340	0.9
53.03930	1.5
53.32560	0.9
55.01873	5.5
55.05502	6.8
55.27542	0.9
57.03435	29.4
57.07073	8.2
65.03928	1.8
67.05500	27.6
69.03416	2.3
69.07053	5.4
70.04070	1.2
70.56283	3.4
71.04980	4.1
79.05489	14.6
79.05910	1.8
81.03385	1.0
81.07050	16.0
83.04977	4.6
83.08597	3.0
85.02906	1.5
85.06541	30.8
91.05479	10.0
93.07043	12.0
95.04354	1.6
95.04960	32.4
95.08585	7.0
97.06503	2.9
97.10165	1.7
105.07014	8.2
107.04928	3.9
107.08584	10.0
109.06513	30.0
109.10140	2.6
111.04427	4.5
111.08128	2.4
113.05997	100.0
115.05402	1.1
117.07007	5.2
119.08587	6.9
121.06470	2.2
121.10138	4.3
123.08025	3.0
125.09610	1.1
128.06218	1.0
129.06976	3.1
131.08528	7.1
133.10081	2.6
135.08044	25.4
135.11685	4.3
137.09691	1.1
143.08539	3.8
145.06477	1.0
145.10104	6.9
147.08028	2.0
147.11688	1.5
149.09599	3.7
153.12698	1.9
157.10085	3.2
159.11711	2.9
161.09634	4.5
163.11179	4.0
165.09044	1.3
165.12775	1.3
171.11662	1.4
173.13240	1.3
181.12256	2.7
191.10619	1.5
195.13861	1.2
199.14746	1.7
201.12733	2.0
207.12152	1.0
207.13768	5.6
217.15869	7.3
227.12744	2.5
235.13098	1.0
245.19028	1.6
255.17320	1.6
273.18475	13.9
291.19513	41.3
292.19916	1.6
305.21014	2.3
311.32443	1.0
323.22119	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	323.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.9
55.01875	16.8
55.05508	30.3
55.19760	2.3
56.08828	2.6
57.03432	4.1
57.07068	4.1
67.05165	4.6
67.05499	54.3
69.03418	5.6
69.07073	23.9
69.66553	19.2
71.04988	5.3
79.05056	3.9
79.05492	43.5
81.03407	4.2
81.07054	63.5
83.01339	5.3
83.04970	20.1
83.08630	10.2
85.06523	5.6
90.72246	2.4
91.04952	5.3
91.05478	53.8
93.07038	58.3
93.50460	2.3
95.04967	18.4
95.08598	39.4
97.06516	10.3
97.10184	6.3
98.21497	3.8
105.07021	42.4
105.22732	2.4
107.04929	13.7
107.08585	39.4
109.06499	12.7
109.10150	39.9
111.04435	9.2
111.08092	13.4
117.07016	8.8
119.08566	23.9
121.06496	14.7
121.10140	17.8
123.04439	4.1
123.08077	9.2
123.11710	11.3
125.06085	3.0
125.09608	4.7
127.07496	3.6
129.07014	6.0
131.08551	17.5
133.06505	9.7
133.10126	62.4
135.08037	7.2
135.11691	11.2
137.05957	6.3
137.09630	9.3
139.07503	11.5
143.08545	8.1
145.06458	3.4
145.10133	10.2
147.08072	11.5
147.11644	13.0
149.09593	9.6
149.13235	3.8
151.11168	48.0
153.09210	3.0
157.10103	6.1
159.08005	4.3
159.11690	7.2
161.09616	17.7
161.13225	7.3
163.11192	3.1
165.09096	2.9
165.12749	3.8
167.10661	3.6
171.11696	8.3
175.11198	7.4
177.09100	4.4
179.10681	14.3
181.08694	5.3
183.13736	20.4
187.11064	3.2
189.12796	6.1
199.11156	3.6
203.14400	3.9
207.13872	6.0
217.12175	7.4
227.18094	3.8
235.13454	3.1
245.19060	16.3
245.28326	2.6
255.17546	4.9
259.57104	2.6
263.20050	21.8
273.18439	46.0
291.19537	100.0
305.21191	8.5
323.22186	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.7
53.06437	2.1
54.06132	2.0
55.01867	15.1
55.05509	46.5
57.03426	7.3
57.07064	9.8
59.04991	2.1
65.03923	3.1
67.05502	87.3
69.03420	8.9
69.07062	29.5
71.04990	6.5
71.08617	2.4
71.59462	4.2
73.06588	3.3
79.05053	4.7
79.05489	67.9
81.03421	7.7
81.07055	100.0
83.01343	5.4
83.04978	36.3
83.08602	14.2
85.02896	3.2
85.06532	6.3
91.05476	65.7
93.07037	73.7
95.04958	21.6
95.08601	42.5
97.02869	2.9
97.06535	11.6
97.10155	4.0
99.08049	3.7
105.07024	63.3
107.04970	17.5
107.08586	51.3
109.06525	17.3
109.10150	57.5
111.04445	8.1
111.08093	18.9
113.09657	2.1
117.07018	13.4
119.04931	2.8
119.08588	25.5
121.06492	17.4
121.10136	18.2
123.04432	8.8
123.08038	13.7
123.11713	16.4
125.01409	2.7
125.06006	4.5
125.09628	3.5
129.06981	7.2
131.08540	24.3
132.96060	5.8
133.06496	20.1
133.10126	94.9
134.95778	3.5
135.08038	12.6
135.11684	13.0
137.05972	6.2
137.09647	5.8
139.07533	13.3
139.11066	2.5
143.08522	9.1
145.10121	21.2
147.08017	15.3
147.11679	12.3
149.09583	16.4
151.07469	4.3
151.11179	78.8
152.11652	2.5
153.09117	3.5
157.10138	6.8
159.08040	5.2
159.11717	6.5
160.95557	3.3
161.09641	16.7
161.13290	4.7
162.95288	4.8
163.11163	6.4
165.09148	6.3
165.12830	2.7
167.10773	2.5
169.10071	4.5
171.11693	10.8
173.13297	2.9
175.11183	8.7
177.09097	9.6
177.10495	2.2
177.12726	4.1
179.10692	10.0
179.14206	2.9
181.08646	2.2
183.13805	28.7
185.13164	4.0
187.11223	3.3
189.12805	7.2
193.12222	9.5
199.11136	3.0
203.14418	3.3
207.13800	5.0
211.13286	2.2
217.12317	4.1
223.13242	4.0
227.17839	5.4
229.14296	3.1
231.01962	3.0
232.02840	3.2
245.03668	14.5
245.18977	16.1
255.17484	8.2
263.20111	15.8
266.99826	5.0
273.18478	49.0
280.00543	8.9
281.01233	3.4
291.19522	83.3
305.21146	18.5
323.22119	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.4
55.01871	5.8
55.05507	31.8
56.36345	1.3
57.03450	2.7
64.12495	1.4
64.66684	1.3
67.05500	20.9
69.03429	3.5
69.07059	16.4
70.13814	5.7
70.14210	2.7
73.47614	1.4
79.05491	22.1
79.61447	1.5
80.50168	1.4
81.03414	4.3
81.07056	20.6
83.04984	4.2
83.08607	15.6
91.05482	11.9
93.07043	18.3
95.04453	1.5
95.04955	9.3
95.08615	9.8
95.98781	1.4
97.02929	2.1
97.07677	1.7
97.10162	29.3
98.20889	2.2
102.22314	1.3
105.07028	11.3
107.04947	6.2
107.08580	16.4
109.02934	1.4
109.06480	3.2
109.10149	4.2
111.08080	1.8
117.07018	6.5
119.04967	1.5
119.08572	8.5
121.06538	3.5
121.10143	4.7
123.08069	11.2
125.09620	31.8
129.07036	4.2
131.08569	5.5
133.06509	3.2
133.10130	3.2
135.08052	7.7
135.11670	1.6
137.09604	4.0
143.08604	1.9
145.10120	5.0
147.08047	6.2
147.11780	3.3
148.92662	1.4
149.09621	1.9
153.09100	6.1
157.10110	3.0
157.12206	3.5
159.11682	1.7
161.09637	3.5
162.46347	1.5
164.75449	1.4
165.09109	4.9
171.10243	1.8
171.11674	2.6
171.95428	1.4
175.11194	3.0
183.11774	1.6
187.13210	2.4
189.12721	2.3
193.12283	4.6
203.12738	16.4
221.11716	1.9
223.13248	11.4
225.14923	2.0
237.14810	2.0
238.45441	1.6
247.17015	1.4
255.17468	1.9
263.19998	2.1
273.18481	14.3
291.19519	100.0
305.21072	24.9
314.27847	1.8
323.22162	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	323.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92767	1.4
53.03955	1.5
55.01874	4.4
55.02990	4.4
55.05502	10.3
56.96566	3.9
57.00673	1.4
57.03436	14.8
57.07074	14.9
57.77462	1.4
62.79371	1.4
67.05508	22.9
69.03420	3.4
69.07067	45.4
69.96815	7.9
70.04069	7.8
70.07838	2.2
71.04998	6.0
78.57008	1.3
79.05499	14.2
80.02367	1.4
81.03408	4.8
81.07056	24.8
82.04070	6.3
83.04916	6.6
83.08620	4.7
84.05598	1.7
84.43842	1.4
85.02924	2.1
85.06547	2.9
88.47788	1.4
91.05475	19.3
93.07051	16.6
95.04958	10.9
95.08610	22.8
97.06528	7.2
97.10171	1.7
98.20844	2.5
99.04478	1.5
99.08105	4.6
100.05098	100.0
105.07027	15.5
107.04971	5.5
107.08598	15.3
109.06524	5.4
109.10173	8.4
111.08097	3.6
113.06049	2.2
115.05435	1.7
115.07591	8.3
117.07019	5.8
119.08557	8.1
121.06510	5.0
121.10149	6.1
123.08074	4.0
126.99476	4.1
129.01030	4.7
129.07002	2.6
131.08554	6.7
133.06561	2.4
133.10124	12.4
135.08031	5.6
135.11723	4.6
137.09628	1.9
139.07610	1.7
141.01021	9.5
142.48424	1.4
143.08586	5.5
145.10126	5.6
147.08069	3.6
147.11710	1.9
149.09663	5.0
149.13295	2.8
151.11177	7.9
153.09036	1.8
154.09802	4.2
155.02589	4.9
157.10158	2.9
159.11665	3.0
161.09671	4.0
169.10193	2.2
171.11737	2.9
173.13245	2.5
174.06590	2.6
177.12814	2.6
179.10664	2.8
179.14201	1.6
183.11633	1.5
185.13153	1.6
196.10802	17.8
197.07275	26.5
201.12897	1.6
203.14278	1.7
210.04282	41.1
217.15900	3.1
221.15344	2.8
225.06851	1.8
235.16959	2.3
237.16518	1.8
247.08411	1.8
255.17390	2.7
259.87674	1.5
273.18484	9.9
277.00659	2.0
291.19464	8.1
305.21194	5.0
323.22403	5.2
324.11130	42.6
347.91864	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39950	0.5
51.48307	0.5
53.03931	0.8
55.01864	1.1
55.05512	1.5
56.05029	1.5
56.96563	1.4
57.03442	0.8
59.94633	0.5
67.05512	2.9
69.03391	0.6
69.07046	1.0
70.06580	1.5
71.04996	0.8
71.08628	13.3
71.60368	0.7
74.09719	0.9
74.96893	0.5
76.19378	0.5
79.05484	2.8
81.03410	1.2
81.07047	1.8
81.45470	0.5
83.04891	0.5
83.06082	0.7
83.08609	0.8
84.04498	30.3
85.02882	3.4
86.09685	1.1
87.04442	0.9
88.11263	78.9
89.11599	0.5
91.05490	2.1
93.07016	1.5
94.06523	0.9
95.04958	2.3
95.06120	0.6
95.08605	1.5
97.02904	0.8
97.06540	0.6
98.06056	1.0
98.18185	0.5
98.97575	1.3
102.05528	1.7
103.05428	1.3
105.04441	0.6
105.07050	2.8
107.04948	100.0
107.08561	0.9
108.05288	1.6
109.10166	1.4
111.03027	0.5
111.05637	0.6
113.00000	2.0
114.05492	0.5
115.05436	0.6
116.98643	0.9
117.07047	0.8
119.04937	0.5
119.08585	0.7
121.02827	2.6
121.06487	0.6
122.06024	1.3
123.08028	0.6
130.04021	1.2
130.04985	12.5
131.08450	0.8
133.06418	0.7
134.99626	0.7
135.07980	0.6
136.07487	0.6
137.05937	2.4
137.09558	0.6
146.03671	0.8
146.99593	0.6
147.04425	1.0
149.02663	0.9
149.09741	0.6
151.03932	1.0
155.17424	0.5
161.05942	3.2
164.07320	0.7
166.08632	0.9
167.07031	1.0
169.02660	2.8
171.14922	11.9
172.13275	0.8
176.14351	2.0
188.14285	0.9
199.07532	0.6
200.12805	57.6
201.13141	1.0
203.08466	1.2
203.13931	0.6
217.15456	86.8
218.15695	1.7
219.08028	0.6
231.08014	2.5
237.02672	0.6
244.13277	1.8
248.08200	1.1
259.07529	1.7
260.08234	1.1
260.16470	2.7
263.10522	1.0
276.07837	1.3
283.06030	0.6
291.10080	3.6
305.14005	0.6
306.16910	1.4
306.20593	1.7
308.09543	0.6
323.09311	0.8
323.12830	4.1
323.19568	4.2
324.18347	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.5
55.01868	2.8
55.05514	6.9
57.03439	7.8
57.07072	0.8
65.03925	1.1
67.05506	13.7
69.03414	1.1
69.07072	4.0
69.94737	3.2
71.04980	2.9
77.03887	0.8
79.05492	21.5
81.03412	1.8
81.07065	9.0
83.04954	1.8
83.08611	2.5
85.06553	0.9
86.09706	3.5
91.05482	22.0
93.07043	13.3
95.01248	0.8
95.04974	8.6
95.08610	12.9
97.06527	1.5
97.10175	2.4
103.05460	1.8
105.07033	12.9
107.04957	100.0
107.08594	6.1
109.06514	2.5
109.10175	4.4
111.08052	0.8
113.06049	1.0
115.05460	1.0
117.07011	4.4
119.04942	2.0
119.08575	10.0
121.06532	4.6
121.10161	1.6
123.04478	1.3
129.07054	4.0
131.04916	4.7
131.08574	2.3
133.06502	16.9
133.10147	3.8
135.08017	1.5
135.11665	0.8
137.05984	1.2
137.09622	2.6
143.08554	2.6
145.06483	4.4
145.10091	1.2
147.08047	6.5
147.11693	2.4
149.09622	3.4
151.11192	2.0
157.06500	3.1
157.10138	1.0
159.08014	1.0
159.11638	1.4
161.09685	1.0
161.13184	1.6
167.08609	0.8
169.02643	0.8
169.10121	1.2
171.08139	1.4
185.13260	4.5
203.14369	3.2
213.12738	3.3
221.15326	1.7
231.13948	3.7
249.14874	6.9
261.09818	0.8
267.15884	1.8
278.20917	1.0
305.17477	6.3
323.18469	11.7
323.22174	2.1
324.21915	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01868	0.7
55.05506	2.9
56.05028	5.2
57.64777	0.5
67.05496	3.8
69.03447	0.5
69.07067	1.4
70.04078	1.2
70.06586	1.8
70.63963	1.0
71.04991	1.0
74.02428	1.9
74.06068	2.2
79.05504	3.5
80.05003	1.4
80.05708	0.5
81.07071	4.6
82.06564	3.3
83.04951	1.1
83.08611	1.5
84.04494	1.6
91.05470	1.6
93.05798	0.9
93.07030	2.7
94.06563	39.4
95.04955	0.8
95.08595	4.0
96.04533	0.8
96.08135	2.7
97.10164	0.9
98.97591	0.7
102.05537	3.8
105.07009	1.9
106.06541	6.8
107.04947	0.8
107.07338	7.7
107.08533	1.4
108.08110	100.0
118.06523	1.2
119.07323	1.0
119.08578	1.1
120.08093	11.6
121.02869	0.7
121.06484	0.8
121.08879	1.6
121.10118	0.9
122.05997	0.8
122.09696	4.0
123.08050	2.1
124.07559	1.7
132.08086	5.8
133.08867	2.8
133.10117	0.9
134.09642	8.3
135.10422	0.7
144.08073	1.0
146.09630	2.0
147.09253	0.8
147.10402	2.0
148.07524	1.0
148.11215	2.5
150.09140	2.8
157.10042	0.6
158.09694	1.0
159.10423	0.8
160.07584	0.7
160.11182	1.2
162.12677	0.7
166.08624	1.5
172.13310	1.0
174.12814	1.7
176.14584	0.6
177.10181	0.7
178.08612	2.6
186.12744	0.9
190.15909	4.0
195.11299	1.2
198.13033	0.8
198.14905	1.9
204.13846	2.1
206.15411	1.4
214.90234	0.6
216.13701	1.3
218.15384	22.1
222.14873	4.0
224.16492	0.9
234.14864	7.0
236.16440	66.0
237.16780	1.3
242.15414	1.3
244.16978	1.6
260.16476	5.9
262.18048	11.3
269.16440	4.6
270.14792	0.9
277.19095	0.6
278.17407	0.8
279.20624	4.0
285.07022	0.6
287.17542	5.9
288.15948	3.5
305.18573	8.5
306.17108	2.7
320.23056	0.7
323.19644	58.3
324.19998	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.7
53.03932	2.2
55.01872	1.7
55.05304	0.5
55.05514	5.5
57.03444	6.6
64.56956	0.5
65.03933	1.5
66.27242	0.5
67.05506	12.7
69.03428	0.8
69.07060	2.1
69.43966	0.5
71.05001	3.4
71.06966	0.5
71.41811	0.9
77.03906	0.8
79.05495	19.2
81.03417	1.0
81.07062	7.3
83.04977	1.9
83.08636	2.7
84.45728	0.5
85.06559	0.6
86.14951	0.5
86.94917	0.5
91.05481	18.7
93.03404	0.5
93.07049	12.8
95.04970	8.3
95.08609	11.5
97.06513	1.4
97.10146	0.9
99.08038	0.5
102.58591	0.5
103.05452	1.3
105.04529	1.1
105.07027	9.6
107.04955	100.0
107.08607	4.1
108.05277	1.5
109.06503	1.3
109.10172	4.6
111.08066	1.0
115.05451	0.5
117.07010	4.3
119.04925	2.3
119.08592	6.9
121.06503	4.3
121.10142	1.4
123.08133	0.7
128.06244	1.1
129.06978	2.9
131.04912	5.3
131.08563	2.0
133.06491	17.3
133.10124	1.0
135.08052	0.9
135.11647	0.6
137.09615	2.0
143.08569	2.7
145.06447	2.8
145.10141	0.7
147.08055	6.7
147.11710	0.9
149.06009	0.6
149.09598	2.5
157.06508	2.3
157.10127	1.2
159.08153	0.9
159.11705	0.8
161.09663	0.8
161.13326	1.3
169.37566	0.6
171.08136	1.3
173.13423	0.5
175.11180	0.7
175.14801	0.8
185.13210	3.2
187.11270	0.7
195.11589	0.6
203.12585	0.5
203.14214	2.7
208.35866	0.6
213.12772	3.2
221.15425	1.9
231.13748	2.0
249.14842	5.8
260.04303	0.6
264.18433	0.5
273.18530	0.9
305.17538	5.2
323.18539	7.5
323.22250	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.1
55.01857	4.0
55.05510	8.1
56.96562	2.5
57.03436	15.2
58.63032	1.3
59.90602	1.1
60.19158	1.2
65.03920	2.3
65.04885	1.1
67.05507	20.1
69.03399	2.3
69.07067	7.8
71.04984	2.3
71.59668	1.8
74.01294	1.0
74.11974	1.2
75.35140	1.3
77.03861	1.7
77.07620	1.2
79.05064	2.0
79.05489	27.0
79.56838	1.3
81.03400	2.7
81.07055	17.2
83.04960	3.2
83.08597	4.7
86.58757	1.4
91.05475	32.6
93.07035	21.6
94.83150	1.3
95.04960	11.5
95.08604	15.6
97.06525	2.1
97.10123	1.8
103.05428	2.4
105.07027	18.3
107.04949	100.0
107.08566	6.9
109.06494	4.1
109.10138	4.5
113.00027	1.5
115.05457	1.8
117.06980	7.0
119.04926	3.9
119.08580	9.9
121.06496	5.5
121.10130	4.6
123.04396	2.2
123.08041	2.8
128.06183	1.4
129.06987	5.3
131.04898	6.9
131.08565	5.2
133.06494	19.9
133.10110	4.2
135.08005	2.0
135.11749	2.4
137.09612	2.9
143.08546	4.6
145.06512	5.8
145.10115	4.3
147.08028	7.1
147.11668	2.3
149.05949	1.6
149.09570	4.8
157.06442	3.4
157.10115	3.0
159.10245	1.2
159.11668	2.4
161.13240	3.8
163.11266	1.5
167.08492	1.4
169.32019	1.3
171.08115	2.4
171.11528	2.8
175.14851	1.5
185.13260	5.0
197.13531	1.1
203.14244	3.4
213.12694	4.3
220.46451	1.3
221.15392	2.4
231.13733	3.2
249.14777	7.9
257.10852	1.4
269.10812	1.4
273.18692	1.7
275.11276	1.2
277.17834	1.4
291.19315	1.4
305.17407	3.3
323.18451	19.4
323.22168	2.2
340.70416	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23077	0.6
56.05017	0.8
57.03407	0.6
57.07065	5.6
65.03943	3.3
67.05487	1.7
69.07062	0.8
70.06584	0.7
72.63079	0.6
74.09715	30.2
79.05484	0.6
81.07032	1.2
83.04946	0.6
83.06094	2.7
84.04500	23.9
85.02879	1.8
91.05468	3.3
93.07030	0.8
95.04940	1.1
102.05521	0.7
105.07008	0.9
107.04955	3.5
108.08076	0.7
109.10127	0.9
111.04410	3.2
111.05544	0.7
113.00030	3.3
121.02861	100.0
121.10181	0.6
122.06805	0.7
129.06538	0.6
130.04997	9.2
132.99620	0.6
136.95268	0.6
139.12286	6.4
140.10690	24.5
157.07591	3.0
157.13354	28.8
161.05998	1.2
169.02609	2.7
185.11610	0.4
185.12849	22.0
186.11244	22.7
203.08600	1.0
203.13901	34.5
217.15486	0.9
232.99440	0.9
251.11795	2.4
263.10562	0.6
277.15497	2.1
291.10248	1.1
303.05005	0.7
305.14737	2.9
323.04269	1.2
323.12634	1.0
323.16092	5.4
323.19763	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.4
55.01867	6.3
55.05512	14.7
56.96561	5.6
57.03436	22.7
57.07060	2.6
59.15617	2.0
65.03918	3.2
67.05504	52.6
69.03436	3.2
69.07082	12.3
70.37727	5.6
71.04996	2.9
74.80728	1.5
79.05490	32.7
81.03407	6.6
81.07058	55.3
83.04966	5.9
83.08607	4.8
91.05473	32.6
93.07044	24.1
95.04975	13.6
95.08607	100.0
96.08920	1.9
96.22404	1.6
97.02882	8.7
97.06536	6.4
97.10169	4.3
103.05475	1.7
104.10755	1.6
105.07024	27.6
107.04957	40.5
107.08593	13.8
108.19408	1.8
109.06506	7.4
109.10181	9.3
109.33368	1.8
111.08122	1.8
114.92295	1.6
117.07021	7.7
119.04966	5.2
119.08588	28.4
121.06490	8.7
121.10171	9.7
123.08060	10.1
123.11709	11.7
125.09583	3.2
125.13358	1.7
129.07010	6.4
131.04941	2.1
131.08537	5.9
133.06483	11.9
133.10123	16.4
135.08052	7.2
135.11691	8.5
137.09624	3.6
137.13260	7.0
141.07002	2.1
141.09106	3.3
143.08549	4.2
145.06482	2.8
145.10158	4.0
147.08060	7.8
147.11705	7.5
149.13237	1.9
151.07474	3.1
157.10123	2.8
159.08099	2.4
159.10190	31.9
159.11572	3.1
161.09601	4.3
161.13252	17.1
165.09140	2.0
171.11699	3.0
173.13161	1.8
175.07562	2.0
175.14830	14.9
185.13252	9.2
189.11307	2.0
203.14317	10.8
213.12778	2.5
221.15469	4.1
231.13849	4.7
249.14835	6.1
260.11252	2.0
263.10501	2.0
267.13052	2.3
267.15912	39.7
273.18652	2.1
277.18158	4.0
305.17441	3.8
305.21054	2.1
323.18564	16.0
324.19391	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	323.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
55.05493	1.6
56.96548	1.4
57.03415	0.8
57.07069	0.6
67.05499	2.8
69.03419	1.0
69.07061	1.0
70.04069	1.3
70.26010	1.9
71.04985	1.0
79.05478	2.7
81.03390	1.4
81.07040	3.0
83.04984	0.8
83.08626	0.7
84.08102	0.5
85.02904	1.0
91.05486	4.6
93.05775	0.5
93.07037	2.7
93.07535	0.5
95.04954	1.2
95.08569	2.1
97.06483	0.5
98.75494	0.5
98.97559	1.1
105.07008	1.6
107.04963	2.5
107.08586	1.5
109.10123	1.5
112.99992	1.4
113.06016	0.7
116.98608	0.7
117.07018	0.8
118.06548	1.9
119.08590	1.6
120.08131	0.6
121.06520	1.1
121.10131	1.2
123.08081	0.5
123.11752	0.5
129.06914	0.6
131.08583	1.2
132.10194	1.4
133.10512	0.7
135.08061	0.7
135.11728	0.6
136.11200	4.8
137.05971	0.6
143.08635	0.5
144.08081	0.7
146.06007	3.4
147.11667	1.0
149.09625	0.5
151.07497	0.5
157.09993	0.5
161.06017	0.9
161.09616	0.6
163.11241	0.9
166.08682	0.7
169.02602	1.5
177.93634	0.5
188.07011	3.4
188.20071	0.5
230.21147	1.2
231.21472	2.5
237.13857	0.9
260.12817	0.6
263.10596	0.5
265.05148	0.6
283.06290	2.2
291.10056	0.8
301.07239	1.4
305.17563	0.7
317.06348	1.0
323.14624	100.0
323.26065	7.5
324.14880	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60103	0.8
53.03929	1.0
55.01860	2.2
55.05511	6.9
56.05032	0.9
56.96561	1.8
57.03423	2.0
57.07071	0.8
67.05508	6.9
69.07063	3.3
69.73473	6.0
70.06577	3.2
71.04985	1.2
72.08139	2.4
79.05498	7.7
81.03419	2.2
81.07059	8.0
82.06595	4.9
83.04982	1.6
83.08611	2.6
84.08128	3.0
85.06517	1.3
86.09686	1.4
86.69643	0.8
91.05451	5.1
93.07045	5.0
94.06564	3.2
95.04967	5.9
95.08607	4.5
95.37273	0.8
97.02888	1.0
97.06532	1.0
97.10181	3.9
98.21497	1.4
103.05460	1.1
105.07020	3.6
107.04964	10.5
107.08595	3.5
108.08131	3.4
109.06502	2.1
109.10186	1.9
111.08122	0.8
115.05387	1.0
117.07037	1.9
119.04916	2.0
119.08593	2.3
120.08108	2.9
121.06490	2.3
121.10149	1.9
123.04427	3.1
123.08061	0.9
125.09631	2.9
128.06236	0.9
129.06953	1.1
131.04915	2.4
131.08601	1.6
133.06490	2.6
133.10179	1.0
134.99632	0.8
135.08025	1.9
137.26619	0.8
143.08586	1.8
145.06473	2.3
147.08028	1.3
159.08084	1.1
161.09595	0.9
169.06586	1.1
179.46846	0.7
185.13321	1.4
189.11237	2.6
207.08176	0.9
218.15352	1.3
224.16447	8.4
231.13780	1.5
236.16519	2.4
248.16530	2.1
249.11171	0.9
249.14890	1.9
262.18033	3.8
263.10837	1.1
305.14215	0.9
305.17435	1.8
305.22076	1.0
308.94147	0.9
323.14688	100.0
323.18353	9.3
323.23157	5.7
324.15405	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	323.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01868	2.7
55.05520	7.2
56.96569	5.3
57.03427	4.1
57.07106	0.8
58.19656	0.8
65.03951	1.7
67.05508	9.2
69.03427	2.1
69.07066	3.4
69.60299	8.1
70.06583	1.5
71.04990	1.0
72.08138	0.9
79.05492	12.7
81.03417	2.8
81.07064	11.2
83.04961	1.6
83.08607	2.1
84.08150	1.3
84.96044	1.9
85.06532	1.6
91.05473	9.1
93.07044	5.9
95.04967	8.1
95.08627	6.9
97.06538	2.9
97.10163	3.1
98.97638	1.0
99.08102	3.0
103.05478	7.2
105.07033	4.6
107.04957	100.0
107.08590	5.0
108.05286	2.7
109.06519	3.4
109.10139	2.2
111.08067	1.6
115.05442	3.6
116.98679	1.2
117.07014	3.6
119.04935	2.8
119.08615	2.9
121.02869	1.9
121.06495	2.6
121.10154	3.1
123.04469	1.7
123.08060	1.8
125.05985	1.0
125.09670	4.7
127.07600	1.1
128.06230	1.0
129.06990	2.8
131.04932	36.4
131.08546	2.9
132.05655	3.5
133.06485	3.0
133.10168	2.8
135.04382	1.9
135.08069	3.6
135.11664	1.7
137.02411	0.9
137.05920	1.9
141.06995	4.9
143.08597	1.1
145.06491	3.8
145.10100	1.7
147.08032	1.5
147.11696	1.1
149.09615	1.2
150.20345	1.0
153.09152	1.1
157.06506	2.7
157.10052	1.4
159.08057	1.6
159.11710	1.3
163.11125	1.1
165.03282	0.9
169.06497	12.8
170.00031	1.1
171.08031	1.1
171.11630	1.2
173.13170	1.0
177.00784	1.3
179.08530	1.1
189.11214	2.9
191.08521	1.5
192.09406	1.5
194.07263	1.5
195.11723	1.1
202.07831	5.7
203.08636	1.2
207.08125	2.8
215.08559	2.4
217.10170	2.2
219.08130	4.8
220.08850	6.8
226.07790	1.8
231.08104	2.4
231.11595	1.0
231.13765	2.0
233.09540	1.5
235.11145	7.9
235.58897	1.0
244.08907	2.0
245.09613	5.3
246.10442	1.6
247.07607	3.5
248.08360	4.8
249.15013	1.5
263.10693	22.8
264.11093	1.1
272.12033	1.1
273.18411	1.4
280.26886	1.1
287.16510	1.4
291.19635	1.4
305.08136	2.8
305.17596	1.5
323.09900	1.6
323.18652	3.3
323.22052	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	323.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91916	3.3
60.92318	3.2
70.14407	17.2
89.41873	3.3
94.92994	5.7
98.97552	3.6
112.89610	3.4
122.14986	3.0
141.88295	3.1
142.88196	3.2
161.02945	11.4
161.16959	2.8
173.02953	4.4
203.03908	4.0
222.98759	3.9
229.09978	3.4
230.92125	5.7
248.89645	10.0
323.07318	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1276
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
51.90607	1.0
53.56592	1.1
55.01867	1.3
55.05507	1.1
67.05508	1.1
69.90623	5.8
75.62305	1.0
79.05480	2.1
81.03391	1.4
81.07050	2.7
91.05462	3.2
94.04186	2.0
95.04941	1.5
95.06065	1.2
97.02872	0.9
98.20770	1.1
103.05452	3.1
105.07040	12.5
107.04923	2.8
109.06525	2.5
111.05565	1.4
115.05434	4.0
115.06171	0.9
117.06994	1.0
118.04102	1.1
121.06508	5.6
122.03642	5.2
122.06800	3.1
128.06230	2.3
129.06917	1.0
131.04865	1.9
133.06493	7.1
137.05966	63.9
139.05414	2.3
143.05997	1.0
146.03612	11.1
149.05992	2.0
161.05971	100.0
162.06357	2.1
166.08641	1.6
167.04907	2.2
171.08011	2.8
175.07555	2.1
184.05208	2.4
189.07103	2.1
190.07782	1.6
191.08575	4.2
192.09349	3.3
199.07544	16.4
202.07774	23.2
203.08548	40.0
204.09151	1.9
205.06499	2.3
207.07794	1.1
215.08633	1.8
219.08009	11.3
220.08838	12.3
221.09439	1.5
222.06744	1.0
229.06616	1.3
230.07283	4.0
231.08032	58.1
232.08725	8.9
233.09482	1.1
234.06810	1.4
235.07434	1.6
235.11143	2.3
237.09099	3.3
243.08148	1.5
245.09613	2.5
247.07535	8.6
248.08331	27.5
249.09027	4.3
258.06784	4.6
259.07523	41.3
260.08279	23.4
261.08850	2.7
262.09888	1.4
263.07571	1.6
263.10651	28.2
265.08609	4.1
273.09137	1.6
275.07071	4.4
276.07788	19.1
276.10788	1.4
277.08615	9.2
280.10992	1.5
290.09402	2.0
291.10135	83.6
292.10907	7.3
293.08029	7.6
295.13220	3.8
307.09528	1.0
308.10474	8.9
323.12753	95.7
323.20206	3.2
324.13251	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	322.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.6
57.03447	1.2
57.07057	0.7
60.04518	1.0
62.06091	100.0
63.06432	0.7
65.00168	0.6
65.03959	1.1
67.05506	21.5
69.07066	4.0
70.94206	1.6
79.05498	13.0
81.07056	18.2
83.08629	2.0
84.05627	1.9
91.05479	5.3
93.07045	14.3
95.04980	1.2
95.08613	13.8
95.09236	0.7
97.06567	0.8
97.10191	1.1
98.06102	1.0
101.66689	0.7
101.82177	0.6
105.07051	2.8
107.08593	8.7
108.69351	0.6
109.06567	0.9
109.10164	6.2
117.07093	1.0
119.08610	2.7
121.06491	0.7
121.10163	6.4
123.11691	3.6
131.08615	2.7
133.10152	2.7
135.11737	2.8
137.13254	1.0
144.10222	0.8
145.10176	1.9
147.11748	1.3
149.09671	1.0
149.13275	2.3
159.11740	1.6
161.13293	1.9
163.14876	2.2
165.09222	0.7
172.13361	0.7
173.13318	1.6
177.16469	1.3
186.14957	1.3
187.14886	1.3
200.16570	1.4
201.16763	0.9
214.17938	0.8
243.21281	2.3
261.22076	3.8
304.26483	2.2
305.24847	2.7
316.27811	0.7
322.27533	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	323.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	3.2
60.73529	1.7
61.02909	4.1
69.03424	15.7
69.58159	11.8
70.06593	1.9
73.02914	2.1
81.03416	5.0
84.08147	4.6
85.02895	23.6
86.09709	3.3
87.04479	2.3
91.03957	2.4
95.06017	1.8
97.02884	9.7
107.04948	4.6
109.02872	3.3
126.26031	1.7
127.03941	4.9
143.01054	3.0
161.02104	52.7
177.05585	1.8
181.03513	3.1
185.04208	86.4
197.03049	3.2
203.05270	26.6
203.07062	2.3
239.04059	3.6
251.04066	4.7
263.08292	2.2
323.07358	100.0
324.07236	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	322.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.05510	5.0
57.07067	1.5
60.04529	2.2
60.12236	0.8
61.09425	0.7
62.06091	100.0
65.03935	1.1
67.05505	18.3
69.07075	4.5
69.94418	1.9
69.94840	3.2
71.91006	0.7
72.29728	0.7
79.05064	1.1
79.05502	13.8
81.07061	19.5
83.08622	1.4
85.10204	1.1
91.05480	6.1
93.07053	14.9
95.04984	1.4
95.08610	14.0
98.20835	1.1
99.08068	0.8
105.07027	4.9
107.08598	7.2
109.06519	2.1
109.10152	7.2
112.91422	0.7
117.07025	2.1
119.08566	3.0
121.10146	7.0
123.11718	2.7
129.11562	0.8
130.22466	0.7
131.08528	3.9
133.10155	2.5
135.11720	4.2
137.13261	0.9
145.10155	3.2
147.11650	1.8
149.09633	1.1
149.13274	2.1
161.13239	1.8
163.14839	2.4
173.13295	2.1
177.16371	2.2
186.14888	1.5
243.21158	4.4
261.22095	5.2
304.26306	3.1
305.24615	1.8
322.24039	1.5
322.27423	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	322.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
55.01874	0.7
55.05504	7.1
57.07069	1.6
60.04523	1.0
62.06085	100.0
64.26554	0.7
67.05503	17.9
69.07062	5.3
69.36349	4.0
69.36781	2.8
75.08102	0.6
79.05487	9.1
81.07053	19.3
83.04975	1.8
83.08620	3.0
90.20193	0.6
91.05479	4.4
93.07040	13.2
95.04974	1.9
95.08598	13.5
97.06485	0.8
97.10187	2.4
98.06046	1.0
98.21500	1.7
105.07000	3.7
107.08583	8.5
109.10151	6.3
112.01860	0.6
113.90042	0.7
117.06984	1.1
118.70174	0.7
119.08603	2.8
121.10134	6.1
123.11708	2.7
125.09640	2.2
131.08598	2.6
133.10133	2.6
135.11737	3.2
137.13292	1.4
145.10146	1.6
147.11679	1.2
149.13280	1.6
159.11694	2.0
161.13306	0.9
163.14897	1.0
173.13297	1.5
177.16481	0.8
187.14873	1.0
200.16479	1.0
203.12773	1.2
214.18056	0.7
223.13359	1.4
232.89195	0.7
243.21121	2.5
261.22018	3.6
273.18634	0.8
291.19556	8.2
296.44516	0.7
301.78726	0.7
304.26434	2.2
305.21112	1.9
305.24448	1.2
306.83121	0.7
308.74036	0.7
322.27353	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	322.2739
Annotation	alpha-Linolenoyl Ethanolamide
Peak:m/z	Relative Intensity
53.03945	0.9
53.70167	0.7
54.26939	0.7
55.05507	4.5
57.03442	0.8
57.07061	1.2
57.66265	0.7
59.81940	0.7
60.04522	1.2
62.06088	100.0
63.06441	0.8
65.03956	0.9
67.05501	21.1
69.07066	5.1
70.66152	1.2
70.66491	1.2
79.05495	11.3
81.07059	22.2
83.08644	1.9
91.05468	5.8
93.07036	12.0
95.04987	1.3
95.08604	15.2
97.06543	1.0
105.07005	3.7
107.08595	9.2
109.10160	6.9
119.08575	3.4
121.10150	6.3
123.11720	2.5
131.08572	2.2
133.10143	2.5
135.11705	3.5
137.13177	0.8
141.32051	0.8
145.10127	2.7
147.11740	1.8
149.13261	2.5
159.11700	1.3
173.13275	0.9
177.16438	1.1
200.16457	1.2
243.21101	3.3
261.22137	3.5
301.58575	0.9
304.26294	3.2
305.24826	2.3
316.99356	0.9
322.24136	1.4
322.27417	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	322.122
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05059	1.0
56.96576	1.2
57.60634	0.9
58.21048	0.8
58.94377	0.9
60.04526	1.4
60.05658	1.5
60.07886	1.5
60.08167	23.2
60.58480	0.8
60.75204	1.0
67.04249	84.6
67.29433	0.9
68.04593	1.0
68.05008	2.2
69.93739	1.9
69.94148	4.5
70.06593	15.6
72.08151	2.8
84.04513	2.7
84.08132	5.8
86.09696	2.4
95.06059	1.2
98.00645	10.0
98.21484	1.8
106.79212	1.0
107.04956	1.7
110.07169	4.1
112.08725	1.2
116.07101	1.8
119.04936	2.3
120.08091	8.0
125.01704	100.0
126.02568	6.9
129.10226	3.3
132.74673	0.9
151.02225	1.0
175.11928	1.5
186.07881	1.8
194.04932	1.0
219.05881	98.3
220.06078	2.3
235.05400	1.3
261.09784	0.9
271.71722	1.1
278.13232	69.0
279.13507	1.8
280.22339	1.1
305.16257	1.7
322.12085	1.8
322.18588	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	322.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83624	1.0
52.48930	1.0
53.03942	1.6
53.19083	1.2
55.01881	1.7
55.05507	5.1
56.05042	2.6
56.96561	1.6
57.03423	5.0
57.07070	1.4
59.42165	1.1
63.89062	1.0
65.03922	2.5
67.05517	6.9
69.03425	1.7
69.07062	4.7
70.06586	3.6
71.59366	2.0
72.08138	1.5
72.96655	1.2
74.06063	3.2
79.05495	17.0
81.07059	11.6
83.04940	2.0
83.08627	1.9
84.04523	1.3
84.08138	2.2
86.09715	14.6
91.05486	26.8
93.07047	16.8
95.04994	6.0
95.08603	9.4
97.06524	3.5
102.05545	5.2
103.05468	1.7
105.07032	27.7
107.04977	4.1
107.08596	100.0
109.06483	7.3
109.10175	1.4
111.03140	1.0
117.07059	3.8
118.06501	1.7
119.06077	2.8
119.08589	21.2
120.06589	1.5
121.06474	2.5
121.10152	14.6
123.08092	2.6
131.08598	7.5
132.10216	3.8
133.06541	2.0
133.10144	11.5
135.08080	4.2
140.15033	1.1
141.73279	1.2
143.08643	2.0
145.10153	5.4
147.08061	5.8
147.11693	5.3
149.09627	43.7
150.10074	1.5
159.11667	2.1
161.09627	8.3
161.13257	1.6
163.11166	3.4
175.11278	1.4
175.14839	12.2
185.13306	1.7
191.10716	4.5
203.14413	6.3
220.16823	1.4
230.15385	1.6
261.87857	1.2
270.67621	1.6
276.19598	4.2
299.05939	3.1
304.18918	1.4
322.20352	6.4
323.18411	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	322.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10940	0.4
53.03951	0.4
55.05497	0.7
55.93514	2.3
56.94311	3.0
56.96558	0.5
67.05488	1.6
68.94283	0.5
69.03423	0.5
69.07043	0.8
70.39594	0.7
70.39983	0.9
70.95866	4.0
71.18291	0.4
71.92999	0.9
72.93781	14.9
79.05479	1.7
81.03419	3.9
81.07060	2.0
82.95827	0.6
83.04969	0.6
86.79771	0.4
88.96898	2.3
89.94041	0.8
90.94809	7.3
91.05472	4.0
93.07031	0.9
95.01314	0.5
95.04958	0.6
101.13545	0.4
105.06969	0.5
107.04939	3.0
107.08589	0.6
108.95824	2.2
113.96410	0.7
115.05475	0.5
116.96340	1.4
118.94254	0.4
119.04889	0.7
121.06487	0.5
124.96806	0.4
125.96114	0.4
126.98403	1.9
128.96317	2.5
129.06981	0.8
130.97894	1.2
131.08517	0.5
132.95856	0.6
134.97394	1.2
134.98871	1.5
136.95274	0.8
138.98410	5.5
142.97902	1.7
144.95793	1.5
144.99460	1.6
145.10092	0.5
146.97412	2.3
146.98877	1.9
148.98956	1.6
149.00426	0.5
150.96870	1.0
150.98381	2.2
152.96265	0.9
152.99963	1.2
153.01907	0.5
154.97862	2.2
156.99475	1.0
158.97398	1.0
162.96915	2.6
162.98174	0.5
163.02019	0.7
164.98569	0.9
164.99966	12.4
166.97894	6.7
168.99438	1.9
170.97371	2.1
171.01015	0.6
172.98952	1.9
178.97902	7.9
179.01511	0.8
180.99443	2.5
182.97382	2.5
183.00986	1.1
183.98157	0.7
184.98950	4.2
187.00511	1.1
187.02052	1.2
188.01512	0.7
188.98450	0.5
189.03625	3.8
191.01468	0.7
191.05222	0.8
192.99440	1.9
194.97372	0.7
195.01031	1.7
196.98975	2.7
199.00467	1.5
199.02118	0.6
200.98463	2.7
201.00063	0.5
207.00940	2.3
208.98936	0.9
209.02563	1.4
211.00523	1.5
213.02110	0.8
214.99974	1.5
215.01720	1.1
217.03122	4.3
219.01096	0.7
219.04794	0.8
220.98979	0.7
221.02625	0.5
225.02100	1.5
227.03558	0.7
231.00896	0.5
233.02562	1.3
235.04120	1.9
237.05704	1.9
243.01144	0.5
245.02486	0.9
253.05133	2.5
255.06815	1.9
261.02106	1.7
263.03632	8.8
271.06192	1.7
279.03088	1.6
281.02185	0.3
281.04660	27.0
299.05737	100.0
300.05972	1.6
304.06281	0.6
317.06625	2.0
322.07446	6.9
322.11334	0.8
322.20078	0.8
323.07922	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.242
Annotation	19S-HETE
Peak:m/z	Relative Intensity
51.74957	0.4
53.03915	0.4
55.01854	1.3
55.05257	0.6
55.05507	8.9
57.07068	6.1
59.04982	0.6
61.33626	0.5
66.36597	0.4
67.05502	8.0
69.03413	0.8
69.06710	0.7
69.07059	6.4
71.04981	1.4
71.08633	2.6
71.14898	0.5
79.05495	5.7
81.07043	11.0
83.04974	1.7
83.08613	3.9
85.06554	2.8
91.04965	0.5
91.05473	2.6
91.08160	0.5
93.07036	7.0
95.04938	2.1
95.08600	11.4
95.12505	0.4
97.06534	1.8
97.10152	1.5
99.08073	1.9
105.07024	3.2
107.04957	0.8
107.08575	4.9
109.06505	23.9
109.10155	4.2
111.08068	2.1
113.00005	0.7
116.25072	0.4
117.06991	0.6
119.08588	4.2
121.06483	0.9
121.10125	5.1
122.07284	2.8
123.08055	62.0
123.11665	1.2
131.08553	1.6
133.10133	3.0
135.08035	8.8
135.11693	0.9
136.08789	0.8
137.09630	3.3
137.13245	0.7
138.20781	0.5
139.11169	0.8
143.08557	0.5
145.10118	1.8
147.11682	1.6
149.09586	1.9
149.13235	0.7
159.11717	1.2
161.13260	1.4
165.12746	0.9
167.14316	0.9
169.02682	0.6
177.12755	1.1
179.14296	68.0
180.14522	1.1
187.14674	1.2
193.15834	1.1
205.15858	1.3
247.16968	0.9
261.21939	0.6
265.17947	12.9
289.17801	0.9
303.23212	3.7
321.24207	100.0
322.24454	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	321.9929
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	0.5
66.98877	0.2
70.23806	0.4
70.24219	0.5
71.55151	0.2
72.08118	0.2
84.08160	0.2
97.02880	0.3
98.97558	0.4
113.03426	0.2
116.98643	0.7
118.05548	0.2
119.01922	2.1
133.77490	0.2
134.99672	1.4
137.02960	1.4
140.98840	0.2
142.03484	0.2
153.00792	0.5
158.99916	0.5
174.45738	0.2
177.00951	15.2
178.01041	1.3
179.00694	0.3
182.99808	1.4
185.98457	0.2
187.04333	0.3
195.02063	0.6
201.00923	4.0
201.02811	0.2
202.00963	0.3
202.93504	0.2
205.05573	0.4
209.12476	0.2
213.00081	0.2
218.03583	1.4
219.02002	100.0
220.02132	7.6
220.84007	0.2
221.02289	0.9
224.02417	0.2
232.96605	0.4
234.99918	0.5
236.00171	0.4
236.99519	0.5
237.03114	0.7
237.97173	0.2
238.95602	0.5
242.03592	7.7
243.03777	0.5
247.05136	0.2
255.98105	0.2
256.96625	7.6
257.96741	0.6
258.96329	0.3
259.00052	0.5
260.00183	0.4
260.04773	1.2
261.00333	0.2
261.02914	1.3
265.05197	0.4
269.71768	0.2
272.94571	0.4
274.94385	0.4
274.97650	3.6
277.01083	0.9
278.01257	0.4
279.00983	0.4
279.98227	1.5
280.96460	1.4
282.99991	0.4
290.95663	0.3
292.95236	0.3
297.99326	1.0
298.97672	32.1
299.05432	0.7
299.97733	2.1
301.00998	0.6
303.98108	0.3
307.48526	0.2
314.95663	0.3
316.95493	0.7
316.98770	0.4
317.19806	0.2
321.99283	4.3
322.07239	0.3
322.99454	0.3
328.44217	0.3
328.94101	0.3
340.02161	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2059
Annotation	Smardaesidin F
Peak:m/z	Relative Intensity
53.03949	0.9
55.01861	1.2
55.05512	4.5
56.96543	2.2
57.03423	1.7
57.07074	5.1
59.04983	2.1
65.03931	1.3
67.05496	9.5
69.03430	3.9
69.07068	5.7
70.04074	1.2
70.06570	1.0
71.04975	1.6
71.60048	1.5
72.08137	1.2
72.93829	0.9
73.17232	0.7
79.05488	5.5
81.03405	1.9
81.07052	14.5
83.04969	3.0
83.08595	1.2
85.02890	2.0
85.06541	2.4
90.30077	0.9
91.05469	13.7
92.05811	2.5
93.07032	8.9
95.04955	6.1
95.08040	1.3
95.08604	17.5
97.02856	0.9
97.06512	6.4
99.04433	0.9
105.07020	9.3
107.04950	4.4
107.08589	11.3
108.05746	1.1
109.02861	0.8
109.06522	4.8
109.10150	6.8
111.04417	0.9
113.09660	0.8
116.98611	1.4
117.07021	1.5
119.08600	8.3
121.06535	5.5
121.10124	4.8
122.07275	1.7
123.08066	39.5
123.11699	2.7
125.05952	0.9
125.09610	1.0
127.01266	1.2
129.06966	1.3
130.07809	0.9
131.08539	5.4
132.95859	0.8
133.06500	2.8
133.10156	4.4
134.99626	0.8
135.08054	3.1
135.11661	2.4
136.07602	0.9
137.05968	3.4
137.09604	2.9
138.10208	1.5
141.09096	3.8
143.08548	2.9
145.06537	0.8
145.10095	6.1
147.08023	2.9
147.11711	4.7
149.09584	4.7
150.96838	1.2
151.07535	100.0
152.07945	1.5
156.09358	1.3
157.10109	2.5
159.08023	3.4
159.11711	1.8
160.12421	0.9
160.97360	3.0
161.09589	3.0
161.13191	1.9
161.97652	1.4
162.97038	2.6
163.11156	2.7
163.14748	0.9
165.09122	1.8
165.12654	0.9
169.10120	1.4
171.11656	2.8
173.13243	2.2
174.10435	1.4
174.96916	1.6
175.11176	3.3
177.09149	1.3
178.16013	0.9
179.10655	1.6
187.11168	0.8
189.12733	23.7
191.10660	1.6
191.14328	0.9
192.11482	3.9
193.12282	0.9
197.11705	3.2
207.13794	67.3
208.14130	1.6
219.13815	2.0
231.17505	0.9
233.15356	2.2
247.13303	2.8
247.16777	1.0
257.19345	0.9
267.17413	1.8
285.18390	2.1
303.19455	4.9
303.22757	1.3
321.05606	1.3
321.11145	1.1
321.17093	2.6
321.20578	41.8
322.05090	1.0
322.13141	0.9
322.20538	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.4
53.72404	1.6
55.05493	2.9
56.96555	4.4
57.03437	2.5
67.05499	7.1
69.03415	5.0
69.07056	10.6
69.69628	1.6
70.01683	8.0
70.04073	3.2
70.06593	2.4
72.08195	1.7
79.05487	6.0
81.03418	2.9
81.07062	6.2
84.08143	2.2
85.02910	3.0
86.09700	91.2
91.05485	6.9
93.07055	6.8
95.04955	4.8
95.08611	6.1
96.46682	1.7
98.20834	2.0
98.97581	2.1
103.05468	6.0
105.07027	4.8
107.04947	11.0
107.08581	5.5
109.10166	4.9
119.08549	3.1
119.13140	1.9
120.08102	100.0
123.08112	1.9
128.10713	79.3
129.11087	2.1
131.04912	3.2
131.08592	2.3
132.10234	4.3
133.10150	2.9
134.99562	1.7
145.06491	2.1
146.99461	1.9
149.05988	4.1
156.10202	13.3
158.99551	2.0
166.08624	62.0
174.09123	2.1
178.98366	2.6
195.01132	2.0
204.01817	7.9
206.11584	1.9
230.21098	9.8
266.28116	1.8
271.04691	2.4
275.40073	1.7
285.15152	1.9
289.05734	3.1
303.16144	2.4
304.14865	2.2
315.05014	7.0
321.07953	1.9
321.11243	2.3
321.16888	4.0
321.22644	15.5
322.25876	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	321.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.4
53.72404	1.6
55.05493	2.9
56.96555	4.4
57.03437	2.5
67.05499	7.1
69.03415	5.0
69.07056	10.6
69.69628	1.6
70.01683	8.0
70.04073	3.2
70.06593	2.4
72.08195	1.7
79.05487	6.0
81.03418	2.9
81.07062	6.2
84.08143	2.2
85.02910	3.0
86.09700	91.2
91.05485	6.9
93.07055	6.8
95.04955	4.8
95.08611	6.1
96.46682	1.7
98.20834	2.0
98.97581	2.1
103.05468	6.0
105.07027	4.8
107.04947	11.0
107.08581	5.5
109.10166	4.9
119.08549	3.1
119.13140	1.9
120.08102	100.0
123.08112	1.9
128.10713	79.3
129.11087	2.1
131.04912	3.2
131.08592	2.3
132.10234	4.3
133.10150	2.9
134.99562	1.7
145.06491	2.1
146.99461	1.9
149.05988	4.1
156.10202	13.3
158.99551	2.0
166.08624	62.0
174.09123	2.1
178.98366	2.6
195.01132	2.0
204.01817	7.9
206.11584	1.9
230.21098	9.8
266.28116	1.8
271.04691	2.4
275.40073	1.7
285.15152	1.9
289.05734	3.1
303.16144	2.4
304.14865	2.2
315.05014	7.0
321.07953	1.9
321.11243	2.3
321.16888	4.0
321.22644	15.5
322.25876	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	321.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	0.4
72.08167	0.4
77.98484	0.3
81.03391	0.3
83.12222	0.4
84.08151	0.6
91.05474	2.8
93.07080	0.4
98.21440	0.8
105.07016	0.4
107.04977	0.7
107.08606	0.4
113.89477	0.3
114.37166	0.3
114.97297	0.3
115.05460	2.9
117.05730	0.6
117.07031	4.3
118.06540	51.9
119.07349	2.9
123.44892	0.3
130.06552	0.4
131.08542	0.3
132.08090	1.2
132.35300	0.3
134.09650	96.9
135.10033	0.8
142.06506	4.5
143.07283	5.4
144.04471	0.8
144.08078	22.3
145.06450	0.8
146.06003	100.0
147.06390	1.1
155.06001	0.6
160.07591	1.2
170.03711	0.3
170.06017	7.9
174.09152	1.4
176.07034	0.4
186.23328	0.3
188.07057	89.6
189.07402	0.8
192.10133	2.0
224.16403	1.0
321.11853	0.6
321.15912	9.8
321.25601	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74067	1.2
55.05499	3.7
56.96570	1.7
57.03443	1.5
62.31713	1.2
66.58991	1.3
67.05487	3.8
69.07055	2.1
71.59267	1.5
71.59650	1.3
72.08141	1.4
79.05508	2.3
81.07030	3.6
84.07539	1.2
91.05475	4.0
95.08589	1.7
107.04949	3.6
109.10152	1.9
119.08618	1.4
131.08586	1.7
217.13608	1.5
250.44971	1.4
321.16733	100.0
322.17282	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.1
56.96557	2.9
57.03426	1.7
57.07060	3.4
67.05517	4.9
68.65868	1.0
69.03416	1.5
69.07055	4.4
69.25950	0.9
70.04084	6.1
79.05489	2.2
81.07049	6.4
83.04977	1.0
83.08604	1.8
84.05635	1.4
85.02856	1.2
86.09702	1.1
86.88526	0.9
91.05476	3.6
93.07034	3.3
95.04968	1.2
95.08585	3.7
97.02885	1.0
98.97569	1.4
100.21667	0.9
105.07030	2.8
107.04952	3.2
107.08570	2.5
109.10152	3.3
111.04385	1.2
116.98613	1.5
117.06957	1.2
119.08571	2.6
121.02847	1.5
121.06512	1.5
121.10142	1.6
131.08569	1.6
132.95851	1.7
133.10104	1.3
145.10094	1.2
146.99638	0.9
150.96916	1.1
151.07491	1.2
174.96960	1.5
175.15024	1.0
197.07320	2.9
269.12402	2.5
321.16733	100.0
322.17090	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	321.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54222	1.7
56.96555	2.5
64.51674	1.6
67.05495	4.6
69.03420	2.8
69.07070	2.0
70.06573	1.8
71.59678	1.8
71.60023	2.3
72.08170	2.0
79.05489	2.8
81.03413	2.5
81.07062	4.7
83.08601	1.8
84.08127	3.6
85.35899	1.7
86.06060	2.9
86.09676	2.1
91.05456	4.8
93.07012	4.3
95.04926	2.3
95.08586	2.3
105.06286	1.6
105.07030	3.9
107.04951	8.4
107.08583	2.4
120.04472	2.0
120.08105	2.6
121.06489	2.0
135.07999	1.8
140.07028	2.5
147.11578	1.7
147.75085	1.8
162.05489	8.0
164.07072	2.2
197.05925	1.8
198.09154	2.3
199.08545	3.3
200.09361	3.0
202.12253	3.2
212.10751	4.4
213.06525	5.5
213.10199	2.0
214.07304	2.4
215.08147	14.7
215.11655	3.7
228.08844	10.6
229.09741	5.7
229.13274	5.7
240.10207	2.5
242.10460	4.0
243.11234	27.7
246.06841	4.4
257.12848	24.8
258.11185	26.5
258.13281	2.3
259.27524	2.0
261.09027	6.7
274.06296	2.3
278.09158	2.8
285.12299	100.0
286.12857	3.6
289.08295	5.0
290.09518	2.2
303.13336	27.8
304.11688	12.1
306.08817	2.8
321.11154	12.5
321.18094	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	321.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69677	2.6
54.14808	2.6
55.01870	4.3
55.05495	5.3
56.96557	8.4
57.03432	5.6
61.32115	2.7
64.26604	2.9
65.30684	2.7
67.05495	14.8
69.03405	6.3
69.07056	8.0
70.06585	8.2
70.51961	3.2
70.55375	9.5
72.08150	4.5
79.05493	7.4
81.03417	14.1
81.07056	15.0
83.04978	4.2
84.08150	6.1
85.02893	6.5
86.06120	3.6
86.09700	3.2
90.94810	3.2
91.03935	3.0
91.05476	7.3
93.07034	10.2
94.06561	8.0
95.04962	9.2
95.08604	6.3
104.24936	2.8
105.07030	8.1
107.04950	14.0
107.08575	5.7
108.08105	5.2
108.08909	3.2
109.02811	3.2
109.06521	3.6
109.10143	5.2
111.04417	4.2
119.04970	4.2
119.08569	6.9
120.08097	5.3
121.06474	11.6
121.10136	7.0
122.06033	9.8
123.08050	5.3
129.06982	4.7
131.04892	3.6
133.10097	4.7
135.04388	3.5
136.07573	4.5
138.09140	5.8
145.10085	6.3
146.06070	3.1
147.04405	4.1
147.11766	6.5
150.96956	4.8
162.96945	3.2
164.07079	22.8
174.96864	5.5
178.04993	6.2
182.08148	4.4
190.08685	5.7
201.13853	4.4
202.08739	3.8
202.12270	4.1
212.10695	7.7
214.12308	3.7
216.10172	10.4
218.07155	2.9
227.08301	4.7
229.13370	32.7
230.11749	16.8
233.09784	3.3
244.09659	3.3
246.06946	4.5
257.12842	97.6
258.11221	74.6
258.13705	5.6
259.14374	4.3
261.09207	4.9
285.12378	10.4
286.10638	9.3
289.08521	6.2
289.58371	3.1
303.13333	49.8
303.16434	1.9
304.11737	100.0
306.08731	3.3
321.11224	19.5
321.17126	4.9
321.21454	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
67.05497	12.6
69.03380	1.1
70.06568	3.1
70.88994	2.7
72.08137	2.7
72.76151	0.9
79.05464	1.5
81.07036	3.1
84.08124	3.2
85.02878	1.3
86.09685	1.2
88.53161	1.1
91.05465	3.6
93.05741	1.3
93.07071	1.5
94.06005	1.4
94.06558	15.1
95.04962	2.7
97.06548	1.2
107.04927	3.2
117.07039	1.0
118.06512	4.2
119.04923	1.3
119.08536	1.2
121.06430	1.2
121.10185	1.2
122.06014	44.2
123.04371	1.8
130.06499	9.5
130.08611	5.0
132.08089	6.8
132.95834	2.1
136.07561	66.7
137.05957	1.6
137.07877	1.4
144.08069	4.3
146.05994	15.1
147.04387	3.0
152.07162	1.2
159.09250	2.0
164.07051	100.0
165.07401	2.1
166.49408	1.0
169.07619	1.8
170.05965	1.7
172.09758	1.4
174.96831	1.5
182.08113	63.6
183.08382	1.6
186.12698	2.3
188.07050	16.9
215.08173	1.2
241.05270	1.2
242.11719	5.6
258.11194	1.8
259.14444	15.9
266.30197	1.1
275.10135	2.2
285.12216	1.4
286.10666	1.4
299.05743	1.8
303.13205	1.2
303.16678	1.4
304.11783	3.6
317.06375	1.1
321.18143	2.9
321.21979	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80670	0.5
67.05502	10.2
69.49464	4.8
72.08130	0.7
72.93801	0.6
79.05463	0.8
81.07034	1.4
84.08137	0.7
91.05473	1.7
93.07027	1.2
94.06017	0.7
94.06564	10.4
95.04988	1.1
97.06515	0.7
98.97576	0.8
105.06983	0.6
107.04928	1.8
108.08123	0.9
112.91753	0.5
114.21894	0.6
118.06494	1.6
122.06021	28.6
126.05530	0.7
130.06502	2.7
130.08641	1.0
132.08107	1.8
132.95872	0.9
136.07568	58.7
137.07916	1.0
140.07031	1.2
144.08058	1.2
145.02774	0.7
146.05988	5.3
147.11768	0.8
158.18896	0.6
162.96912	0.8
164.07057	100.0
165.07376	1.5
169.07588	0.9
174.96910	0.7
182.08118	68.2
188.07036	4.6
215.08145	1.7
242.11777	2.1
259.14380	6.3
299.05948	1.0
301.37067	0.7
304.11877	0.9
321.11365	0.9
321.18430	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.8
56.96566	5.1
57.03426	1.2
57.07070	81.5
58.07399	1.0
59.04987	1.9
61.02921	1.8
65.61376	0.9
66.93359	0.9
67.05501	8.3
69.07045	3.5
69.34095	8.9
70.04070	6.5
70.06577	3.4
71.06897	1.3
71.08629	1.0
73.02917	1.0
79.05482	2.7
80.94894	1.0
81.03428	1.7
81.07048	5.0
83.04952	1.1
83.08598	1.1
84.02757	0.9
84.08149	1.2
85.02890	2.1
85.06518	1.6
88.07617	2.7
89.07935	1.7
91.03936	1.6
91.05443	2.3
93.07039	4.9
95.04948	1.4
95.08585	4.1
95.21542	1.2
97.02847	2.0
97.06517	1.8
102.09136	2.0
105.07040	1.8
106.41047	1.0
107.04892	1.5
107.08569	2.9
109.10122	2.9
119.08601	1.1
121.10117	1.4
127.01248	1.1
131.08516	1.1
133.05203	1.8
133.10114	1.3
134.99652	1.7
137.09554	1.2
140.02611	13.2
143.08519	1.5
143.56769	0.8
145.08813	1.6
145.10057	1.0
152.02594	1.1
157.08859	1.7
161.09474	1.0
162.67984	0.9
164.02664	1.0
166.00555	12.1
168.02023	1.8
171.11859	0.9
173.11743	1.6
178.04051	1.0
180.05740	6.0
181.06425	1.3
182.03664	20.0
192.03297	1.4
192.05733	1.5
194.07306	2.8
195.03876	0.9
195.13867	1.4
201.07788	1.0
201.45717	0.8
206.07300	1.7
209.05980	1.3
210.06790	6.7
217.02197	1.0
217.07486	1.8
222.06775	18.9
224.08319	2.5
229.07426	8.3
229.14404	1.2
231.08963	1.7
234.06772	13.7
247.08467	6.4
252.07834	100.0
252.99962	2.3
253.08118	3.6
257.26685	2.9
258.27048	3.2
259.27335	3.7
266.08615	2.8
269.10480	5.0
270.08923	4.3
287.11581	3.7
320.30460	6.0
321.09341	7.6
321.11053	11.5
321.16910	2.0
321.20657	2.9
321.30881	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.5
55.05517	1.7
56.05024	4.4
56.96565	9.4
57.03428	2.9
58.06612	1.6
59.89672	0.8
60.04525	3.4
60.05642	1.6
61.01136	1.1
61.02939	1.7
67.05503	1.0
68.05039	1.3
69.03429	7.8
69.43062	0.7
70.06197	1.6
70.06588	31.1
70.94057	1.1
70.94379	1.2
70.98133	1.1
71.05006	2.4
71.06909	1.5
72.08145	14.1
73.02924	2.8
74.06084	3.4
74.97635	1.0
77.00919	2.9
80.04998	1.1
81.03432	2.7
82.06638	1.2
83.04994	1.1
83.06099	2.0
84.04514	5.6
84.08137	27.1
84.96033	2.1
85.02892	6.5
85.08463	1.7
86.06056	4.6
86.09697	5.1
87.04490	1.0
87.05564	1.5
88.04001	1.1
88.07643	2.0
88.99187	0.9
89.00922	0.8
95.04973	0.8
95.06125	0.9
97.02364	0.8
97.02873	4.1
98.06064	1.8
98.09707	3.9
98.97585	9.4
99.04462	1.8
100.07619	1.0
101.00871	8.5
102.05557	1.7
103.00678	1.5
103.02488	1.6
104.05331	2.6
105.00439	1.0
107.04958	9.9
109.02881	1.3
110.06062	1.6
110.07160	14.5
110.97560	1.0
111.07497	1.0
112.05116	3.1
112.08691	1.3
112.11236	0.9
112.99134	1.3
113.00870	1.5
113.03510	2.7
113.04610	1.2
113.07116	1.5
113.10786	1.0
114.09182	1.0
115.02420	5.1
115.08709	2.2
116.07119	2.9
116.98611	7.7
119.01915	60.4
120.02038	2.1
121.01654	9.9
122.07195	1.1
123.04432	1.0
127.03931	1.7
128.98645	2.9
129.04027	1.7
129.10237	12.4
130.05052	2.4
130.08678	2.4
131.00259	2.6
131.01897	19.0
132.01949	1.3
133.01695	3.4
133.03464	26.7
133.05002	1.4
134.99660	4.1
135.03230	1.6
135.05058	1.6
136.02213	1.1
136.07561	1.8
137.02951	20.9
139.02725	1.8
139.06157	1.0
140.98764	1.3
141.04047	5.9
141.10239	0.9
142.03529	1.6
142.04904	1.1
142.08617	2.3
143.01883	11.8
143.05637	12.3
144.99841	1.9
145.01654	6.0
145.03433	7.3
146.99637	5.1
147.01442	2.0
147.03276	2.2
147.05017	4.6
149.01205	2.2
149.02972	5.2
149.04785	3.2
150.99130	1.5
151.02693	1.4
151.04527	8.8
155.01889	6.3
155.03767	1.0
156.02667	1.6
156.07675	2.5
157.01689	0.9
157.03510	5.3
157.04652	1.6
158.99707	3.5
159.05086	7.0
159.06265	1.3
159.11226	4.6
161.01424	1.5
161.02957	22.7
162.99123	1.4
163.02808	11.4
163.04597	1.7
165.00763	2.2
165.06155	0.9
167.04291	1.2
167.05817	1.3
168.99852	4.3
171.01416	1.7
171.05026	7.5
173.01396	1.9
173.03021	20.4
173.04863	15.7
174.99242	1.1
175.02846	3.4
175.04579	5.1
175.11946	1.1
177.00761	6.3
177.02502	3.8
177.06152	2.4
179.02151	1.2
179.04088	0.9
181.03693	4.2
181.53893	2.9
183.01602	1.0
183.05057	2.3
184.04677	2.1
185.01532	1.1
185.03047	3.9
185.06557	0.9
187.00949	15.0
187.02809	2.8
187.04536	2.2
189.00861	1.5
189.02425	7.5
189.06041	4.7
190.06329	1.3
190.98700	2.5
191.02357	1.8
191.04065	9.7
191.05934	15.6
193.00259	3.4
195.01851	1.4
195.07275	1.3
196.99370	1.8
197.02963	2.1
200.04381	1.0
201.00764	1.7
201.02541	5.3
201.06136	2.5
203.04071	5.3
203.05963	3.1
205.01987	5.8
205.03922	4.7
208.04903	1.3
211.04575	1.3
214.07527	0.9
215.00369	17.4
215.10364	3.5
217.02391	4.4
218.02963	1.4
219.01743	3.1
219.03520	16.1
219.06972	6.3
221.05063	13.7
221.06932	1.2
222.05028	1.0
223.01387	1.5
223.04810	8.5
229.01880	5.6
231.03568	4.0
231.07138	6.8
232.07405	1.3
233.01466	1.6
233.04935	4.0
233.07039	1.6
233.08977	1.4
237.02969	3.4
238.01987	1.0
239.06216	2.4
245.05081	6.2
247.02998	22.2
247.05431	1.5
249.04607	2.4
255.07202	1.5
256.04800	1.5
261.04712	1.3
261.08414	4.0
263.06302	5.8
265.04016	6.9
270.04553	1.4
273.08270	2.4
279.09180	5.6
281.05566	2.0
289.04089	2.6
303.04099	1.0
303.09509	1.2
303.13052	0.9
321.11362	100.0
339.10959	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.037
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	13.0
56.96569	66.4
62.98214	9.9
70.06598	100.0
71.57778	16.9
72.08147	31.3
74.06076	12.6
74.97599	12.3
84.04498	16.0
84.08132	50.8
84.96021	10.8
86.09650	11.8
92.70542	9.9
100.39028	10.2
107.04966	28.6
110.07150	28.5
111.45079	9.3
112.08708	13.6
116.98595	13.5
130.06526	26.0
130.13985	10.3
132.08066	10.8
132.57925	11.4
134.99663	10.2
141.57251	9.3
163.00682	10.8
177.00597	14.4
181.01669	28.0
241.03812	16.1
269.53732	11.4
279.01834	23.2
286.30460	11.8
291.70255	9.8
297.02777	41.7
303.13422	13.7
321.03583	24.8
321.15350	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	320.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72985	0.3
53.08837	0.4
55.01854	0.7
55.05506	3.4
55.93525	0.9
56.05028	4.1
56.96544	1.0
57.03424	0.5
58.06592	4.6
60.04513	0.5
65.03897	0.4
67.05497	5.6
68.05022	0.4
69.03419	0.6
69.07047	2.3
69.66429	0.4
70.06589	3.1
70.53621	0.3
71.04977	1.3
71.59494	0.3
71.59876	0.4
72.08136	1.3
73.06561	0.3
74.06062	0.8
79.05473	2.3
80.04988	0.9
81.03430	0.4
81.07052	5.9
82.06551	1.4
83.04955	0.7
83.08617	1.2
84.04470	0.9
84.08128	4.0
85.02861	0.4
85.06515	1.0
86.09703	0.9
90.05526	1.0
91.05472	3.4
93.07030	2.8
94.06545	0.7
95.04962	0.8
95.06074	1.3
95.08589	1.8
96.08096	0.9
97.02914	0.5
97.06513	0.6
98.06053	3.1
98.09684	1.8
102.05475	0.4
105.07018	2.2
107.04958	3.0
107.08569	4.0
108.08117	0.6
109.06483	0.8
109.10139	4.3
110.05932	0.5
110.07161	0.8
110.09659	0.6
112.11208	0.5
113.06007	0.4
115.05442	0.4
115.42309	0.3
116.07043	0.4
116.98631	0.3
117.07014	0.3
118.04156	0.6
119.04901	1.1
119.08547	0.7
120.08070	0.8
121.06464	0.8
121.10139	1.2
122.02708	0.8
122.06015	0.4
122.20332	0.3
123.11696	1.7
125.06013	0.6
128.07091	0.5
129.10307	0.4
131.04909	0.4
131.08591	0.7
133.10133	2.8
135.11639	0.5
144.10204	0.7
146.03668	0.4
147.04411	3.4
148.04697	0.5
149.01170	0.4
149.09619	0.9
150.96883	0.5
151.11148	1.3
159.08388	1.7
162.05487	1.3
163.03885	0.6
166.15918	1.0
168.13815	12.9
180.13855	1.2
187.13216	2.0
188.06918	0.4
192.93684	0.5
194.15385	9.9
195.09076	0.5
195.15622	0.5
196.10039	0.5
198.14832	2.3
200.02107	0.5
210.14897	0.6
210.53238	0.3
212.16429	51.0
213.16782	1.0
214.10684	0.4
215.08206	0.7
218.08080	0.8
222.14902	1.0
228.10155	0.5
228.15837	0.5
230.09923	0.6
233.87238	0.3
239.11903	0.9
240.15929	3.0
240.22903	0.4
258.16977	100.0
259.17303	3.1
260.62173	0.4
267.11304	0.8
272.11090	0.6
274.10510	3.0
284.18555	0.8
285.12268	2.8
296.99902	0.5
302.12390	0.7
302.19608	4.4
320.11038	0.6
320.20258	1.2
321.17719	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35522	0.8
55.01863	1.1
55.05490	1.5
55.85321	0.7
55.93524	6.0
56.94305	6.6
67.05490	2.8
68.94279	1.1
70.58949	1.6
70.59280	1.1
70.95859	9.0
71.92989	1.9
72.93782	19.9
73.94550	0.9
79.05463	2.3
81.03416	7.1
81.07040	2.1
82.95839	1.7
88.07613	0.8
88.96886	3.5
89.94035	1.0
90.94821	12.0
91.05463	4.4
93.07031	1.1
95.04951	1.2
102.94834	0.8
105.07017	1.7
108.95872	3.7
113.96418	1.8
116.96339	2.7
117.07017	1.1
118.94277	1.1
126.46486	0.7
126.98425	6.0
128.96339	5.2
129.06993	1.2
130.97887	2.4
132.95853	1.0
133.10506	0.9
134.97401	1.7
134.98926	2.2
136.95329	1.0
138.98378	4.3
140.96365	1.1
142.97873	1.8
144.95802	1.8
144.99471	4.0
146.97386	3.0
146.98907	1.1
148.98962	3.0
149.00417	1.5
150.96921	1.6
150.98393	2.0
151.02036	2.4
151.11612	0.8
152.96295	1.0
152.99980	1.4
154.97890	8.4
155.08600	0.7
156.99481	2.2
158.97386	2.3
159.01073	0.7
160.98965	0.7
162.96872	2.0
163.00624	0.9
164.99989	7.1
165.97211	0.8
166.97881	8.5
168.95796	0.9
168.99480	4.6
170.97379	2.1
171.00987	1.2
172.98952	10.8
175.02127	0.9
176.98438	1.1
178.97867	4.2
179.01517	1.1
180.99458	3.3
182.97366	3.8
183.00998	1.3
183.98132	0.8
184.98950	5.8
186.01271	3.8
187.00554	3.3
188.98381	1.1
192.99461	3.7
193.03116	1.2
195.01064	2.1
196.98938	5.4
197.02536	1.4
199.00430	1.7
199.02063	2.3
200.02809	1.5
200.98428	1.8
201.03603	8.9
203.05098	0.9
205.03050	1.8
207.01109	1.8
207.04643	1.2
208.98926	1.2
211.00423	2.9
211.02092	3.3
213.03625	16.7
214.99989	1.7
215.05182	1.9
219.00993	1.3
221.02495	1.3
223.02095	1.1
225.01993	1.3
229.03178	1.0
231.04762	1.7
241.05205	2.0
249.05797	1.3
259.04004	1.4
261.05734	3.1
277.05203	1.9
278.56659	0.8
279.06744	15.4
293.04718	0.9
295.06265	2.6
297.07819	100.0
298.08240	2.0
315.08920	1.3
319.30273	4.1
320.09348	8.1
320.25504	0.9
320.30621	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	320.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96071	0.6
55.05494	0.9
56.05030	4.2
56.96553	0.8
57.98782	0.9
58.06597	0.7
58.99580	8.0
59.90295	0.6
60.04512	1.9
61.01150	1.7
68.05028	27.2
69.03423	1.6
69.61048	4.7
70.02940	1.0
70.06587	14.6
72.08152	4.2
74.06087	0.9
76.02228	27.8
76.04008	13.1
81.04586	0.6
82.06591	0.7
83.06104	1.0
84.04501	40.7
84.08141	7.0
85.02906	0.6
86.06084	0.7
86.09690	6.4
86.99047	2.4
88.02214	100.0
88.03990	3.0
96.04487	2.6
98.06066	3.9
98.21474	1.4
99.05609	1.1
102.05535	1.2
103.05466	0.7
107.04955	1.6
110.07183	4.6
112.02216	1.0
112.08747	0.9
114.04720	1.6
114.05524	32.3
116.01663	6.2
116.07117	1.2
118.06567	0.7
118.84856	0.6
120.08097	4.3
123.62768	0.6
126.03740	2.7
127.05065	1.6
129.10236	3.5
130.04991	5.9
130.06531	0.7
136.07664	1.2
136.08673	0.9
142.03215	2.6
142.04988	12.1
144.01149	2.4
146.02721	1.0
146.06067	1.0
153.04814	1.5
156.07654	0.7
158.06032	0.7
159.09248	1.3
159.38596	0.8
162.02197	10.1
169.92747	0.7
170.02760	0.7
171.05861	1.1
173.98843	0.7
174.02196	10.1
179.04874	7.5
179.21062	0.6
184.07297	3.5
187.07512	0.7
188.07217	0.7
191.04845	39.9
199.05377	5.8
200.03816	1.0
215.04907	1.0
217.06409	5.5
227.04846	2.8
229.06529	0.8
230.30400	0.7
245.05978	3.5
246.02487	0.7
256.07474	1.4
258.09259	0.9
274.11917	1.0
278.13293	1.6
278.93231	0.6
302.08264	1.2
303.06595	0.7
303.12894	0.9
320.15799	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.7
55.05510	17.0
57.07059	3.8
59.05001	1.0
62.62793	1.1
65.03941	1.6
67.05501	44.7
69.07063	18.0
69.38845	3.3
69.39268	6.9
74.88491	1.2
79.05487	77.5
81.07052	51.7
82.06569	4.3
83.04984	2.3
83.08608	6.5
85.06528	2.5
91.05474	22.8
93.07037	100.0
94.06554	3.4
94.07363	1.6
95.04963	9.9
95.08600	38.5
97.06504	1.7
97.10159	4.0
98.21644	2.1
103.01775	1.0
105.04533	2.8
105.07029	15.4
107.08588	58.0
108.08093	1.5
108.08884	1.0
109.06504	1.8
109.10149	17.8
111.08061	1.7
117.07019	2.8
119.08562	11.5
121.10135	48.5
123.08070	2.0
123.11703	5.3
125.09657	1.0
131.08588	6.4
133.10149	11.1
134.09666	1.2
135.11679	48.2
137.13234	1.4
143.08524	1.6
145.10123	4.5
147.11671	6.6
149.12077	1.5
149.13240	38.1
157.10156	1.8
157.20345	1.2
159.11722	3.6
161.13260	2.1
163.14819	13.3
173.13255	3.7
175.14848	1.5
177.12784	1.3
177.16414	3.6
189.16418	1.8
191.14330	1.5
199.14830	1.8
211.79477	1.1
213.16327	1.7
235.16852	1.7
249.18613	1.4
259.20523	1.2
263.20105	1.4
269.22476	1.6
277.21710	3.1
287.23517	5.9
292.22580	1.7
302.24771	4.7
319.26334	51.6
319.30157	2.5
320.25848	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.2
56.04835	0.9
56.05039	9.8
56.96550	0.9
57.05814	2.0
58.76445	0.8
59.06116	1.0
60.04510	1.5
60.05630	2.6
68.05017	2.7
69.03423	1.3
69.04541	2.3
69.07081	0.8
70.06202	1.2
70.06590	22.4
70.40147	3.5
71.04987	1.4
71.06103	1.4
71.06908	1.3
71.93602	0.8
72.08150	8.5
74.06081	1.5
76.02211	2.7
76.03993	1.4
79.05491	1.4
81.03426	1.5
81.07001	1.1
82.05312	0.9
83.06110	4.2
84.04506	8.3
84.08136	12.4
85.04008	1.0
85.07633	1.0
86.09707	8.4
87.05602	2.8
88.02216	9.0
88.03971	1.8
91.05437	1.6
93.04517	1.4
95.06083	4.3
97.02861	1.7
97.03999	1.1
98.07175	1.1
99.08003	1.0
101.00909	1.2
105.03399	1.1
106.06560	1.7
106.89563	0.9
107.04964	1.8
109.02867	1.5
110.07143	5.1
111.05571	9.9
112.08744	2.3
113.07138	4.2
114.05538	4.2
115.08710	1.0
116.07063	1.8
118.06552	2.6
119.01945	3.9
120.04459	3.9
120.08121	5.8
123.05547	1.7
126.06643	5.7
127.07395	2.2
128.08156	1.0
129.10214	6.3
130.04987	1.6
130.06508	3.7
130.08705	1.5
132.04457	15.5
132.05423	1.7
132.08084	3.9
134.06007	4.3
136.07547	2.6
137.04672	2.1
140.08185	3.9
142.05003	2.0
143.01923	5.0
144.08063	1.3
146.06001	4.3
148.03993	2.0
150.05511	10.1
151.06139	9.6
152.07077	1.0
159.09148	3.4
161.02950	7.8
170.06024	1.4
173.06790	1.2
174.02118	1.3
174.05443	1.1
176.07053	1.7
184.04623	1.2
184.07323	1.8
187.08685	5.4
188.07072	6.0
189.06560	1.3
191.04825	4.0
202.09763	4.6
203.08133	5.3
205.09755	2.5
216.11357	2.7
221.05026	1.2
230.09242	3.0
231.07649	29.7
232.10680	1.7
233.09175	0.9
233.13942	7.8
234.12297	1.5
242.09265	3.4
246.08759	1.6
257.10297	6.2
259.11896	28.0
260.10190	2.0
261.13129	2.5
273.08258	1.2
277.12946	100.0
278.13300	3.0
284.11530	2.3
285.08609	1.3
301.14133	1.9
302.12463	56.2
303.12790	2.3
319.15247	71.3
319.86606	1.3
320.15417	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	319.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24660	1.4
51.07380	1.4
53.03943	1.9
55.01863	2.1
55.05501	4.1
56.05020	6.1
56.96555	2.2
57.03429	1.3
57.51566	1.4
58.99586	14.4
61.01159	2.3
67.05495	4.9
68.05014	3.7
69.07056	5.8
70.02916	1.5
70.06596	11.6
71.06912	1.3
71.58888	2.1
72.08152	14.2
74.00645	4.3
76.02216	4.9
76.04005	2.0
79.05479	5.7
81.03403	2.2
81.07056	10.2
82.06595	2.2
84.04497	6.6
84.08154	9.9
85.01134	6.7
86.00655	28.6
86.09706	24.6
87.02684	3.3
87.10025	7.2
88.02197	4.3
88.03970	2.1
89.13925	1.4
91.05471	3.7
93.07027	2.8
94.06567	2.5
95.04977	1.5
95.08608	10.9
96.08094	2.2
97.01099	1.9
98.09697	14.6
100.02180	1.8
101.04215	4.2
102.05550	4.2
105.07041	3.8
107.04939	5.4
108.08134	1.8
110.07178	4.3
110.09672	4.1
112.03964	2.8
112.11246	1.6
113.04222	14.0
114.03784	1.9
116.01662	8.8
116.07101	2.0
118.06541	1.7
120.08099	5.6
121.02867	6.3
122.09657	7.0
123.08051	6.1
127.05790	1.8
129.07330	22.1
129.10326	1.7
130.04994	5.0
130.06798	3.0
133.06563	1.8
136.07581	1.6
139.05803	2.4
143.02739	5.6
144.01166	2.7
145.06120	2.0
146.02675	2.5
146.06000	5.6
147.04408	4.9
147.06300	3.4
156.08421	95.9
156.10184	14.4
159.09145	1.7
162.02248	2.9
184.07373	3.3
188.07050	6.6
189.03290	8.3
189.07416	6.8
198.09474	16.9
205.09732	3.0
206.10074	6.0
213.10626	1.9
216.06990	4.5
216.10533	100.0
217.10838	3.9
226.08961	3.0
242.08516	2.1
248.16530	1.5
259.11121	87.2
260.11511	3.1
270.41373	1.6
301.11752	1.8
319.04480	1.9
319.13205	66.8
320.13528	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	319.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01862	2.1
55.05506	3.5
56.05042	7.7
56.96556	3.0
57.48748	1.2
58.06596	1.7
58.99583	4.2
60.04508	3.7
61.01149	2.1
67.05500	5.5
68.05014	1.7
69.07047	3.8
69.76583	1.0
70.06592	19.3
70.09106	5.5
71.04996	1.3
72.08156	14.7
74.00658	4.4
76.02230	3.8
76.04043	2.0
79.05489	4.1
80.05016	2.6
81.03421	1.7
81.07060	8.8
82.06570	1.4
84.04501	8.5
84.07690	1.5
84.08145	15.0
84.08630	1.8
85.01112	6.7
85.02901	1.4
86.00656	31.8
86.09701	8.5
87.02692	2.9
87.88480	1.3
88.02223	2.5
88.04031	1.2
91.05482	17.3
92.05817	2.6
93.07047	2.7
94.06573	1.8
95.04975	1.8
95.08614	8.4
97.01122	1.5
98.09695	9.3
98.97588	1.9
100.02223	1.6
101.81974	1.2
102.05543	6.4
104.10773	2.1
105.07031	2.6
107.04955	4.6
107.08609	1.4
108.08114	1.3
110.06033	2.0
110.07159	4.0
110.09688	2.7
112.03958	2.6
112.11214	1.9
113.04227	14.8
116.01675	4.7
119.04939	1.2
120.08118	6.8
122.09689	6.4
123.08062	4.8
124.08566	1.2
125.00005	1.5
127.05798	1.6
127.73573	1.0
129.07219	1.2
129.10231	4.7
130.04980	2.9
130.06779	3.5
130.08614	1.5
132.08092	1.7
136.07568	2.2
139.05762	3.4
143.02757	2.3
144.01134	1.7
146.06007	3.7
153.07405	1.4
156.08430	83.2
156.10181	5.7
162.02179	2.4
162.05457	2.1
168.07965	1.3
170.06084	1.2
171.02336	1.2
172.07533	1.9
184.07393	4.2
186.09183	2.2
188.07050	3.0
189.03229	2.5
189.10228	2.6
198.07668	1.5
198.09462	22.6
213.10329	1.9
213.20758	1.1
214.08731	1.6
216.06978	5.0
216.10538	100.0
217.09544	2.1
219.31116	1.2
226.09131	1.9
227.05838	3.4
228.06255	1.4
228.10126	1.8
241.09698	1.6
242.08095	11.4
245.56773	1.4
254.60709	3.9
255.11194	5.6
256.09784	1.6
259.11096	63.3
260.11337	3.2
267.75101	1.1
273.12433	5.2
274.10690	4.9
283.10782	2.3
284.09235	5.4
296.12476	2.4
301.11795	11.1
319.13199	54.9
320.13492	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	319.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.4
53.53560	0.3
55.01887	1.2
55.05517	1.2
55.29038	0.3
56.19848	0.3
56.96572	0.4
64.65325	0.3
67.05513	1.4
69.03439	0.7
69.07081	0.7
69.39373	2.4
69.39793	0.9
69.83830	0.3
70.06586	0.8
72.08166	0.9
79.05503	1.4
79.88988	0.4
80.05055	0.6
81.03435	0.7
81.07078	1.1
82.06606	0.5
83.04982	0.4
84.04529	0.5
84.08150	0.7
91.05499	1.5
93.07056	1.0
94.06567	1.0
95.04979	0.8
96.04488	0.4
97.06539	1.6
105.07051	1.1
106.06622	0.4
107.04966	1.3
107.08602	0.6
108.04487	1.4
109.02903	0.8
109.05299	0.4
109.06538	0.5
110.06016	2.7
110.07211	0.4
111.04498	0.6
119.08620	0.5
120.08106	0.5
121.06557	0.6
121.10183	0.4
122.06025	4.5
124.07610	1.6
128.06253	0.6
129.07022	0.6
130.06607	0.4
131.04979	0.4
131.08618	0.6
132.08173	0.7
133.10120	0.4
134.06001	0.7
134.62979	0.3
135.11641	0.4
136.07588	1.1
138.05551	0.8
140.07080	0.5
140.44705	0.4
141.07034	0.5
143.07315	1.0
143.08470	0.7
144.08147	0.5
145.06490	0.4
146.06030	0.7
146.09583	0.4
147.04369	0.9
147.06746	0.4
148.07570	0.4
149.01250	0.4
149.07138	1.2
150.05505	2.3
152.07048	2.3
155.07306	0.5
156.08133	0.4
157.08904	0.6
158.06020	0.6
158.09654	4.3
159.06784	0.5
159.09201	0.5
160.07610	3.0
160.09918	3.3
160.10977	0.4
162.09164	0.7
163.11165	0.4
164.07083	0.5
167.07260	0.4
168.08101	0.8
169.08873	0.4
170.09647	1.9
171.06766	0.8
172.07610	1.9
172.11195	0.8
173.07133	0.4
173.08420	0.7
173.10710	2.3
174.09142	1.4
174.11525	1.4
175.08670	2.0
175.12331	3.6
176.07104	0.6
178.05028	0.5
184.07593	0.9
184.11223	0.6
185.08354	1.3
185.10815	0.9
186.09138	11.5
187.08614	4.6
188.07036	0.9
188.09416	4.6
188.10733	0.5
189.10243	1.0
190.08720	0.5
196.07539	1.7
198.07823	1.4
198.09323	0.7
199.06325	0.5
199.08427	0.4
200.06970	0.5
200.10701	3.4
201.10182	2.7
202.08755	1.0
202.10974	8.7
203.08116	0.6
203.11781	12.2
204.06580	0.5
204.12166	0.6
210.09152	0.6
212.09369	1.0
212.11086	0.4
213.10194	3.8
214.08640	17.2
215.08138	8.1
216.08896	1.2
217.09673	1.9
217.13264	0.6
218.10379	0.6
224.07018	0.5
226.07465	1.0
227.07985	0.5
227.11697	2.0
228.10196	5.3
229.09738	2.6
230.10258	2.8
231.11288	9.6
232.09569	0.8
238.08810	0.4
240.08807	0.7
241.09714	3.1
242.08142	3.1
245.09125	0.9
245.12823	1.5
247.10754	1.9
255.11273	5.6
256.09650	3.7
257.09180	1.1
257.12857	1.6
258.10056	0.5
259.10770	100.0
260.11060	4.1
272.11142	0.5
273.12320	7.6
273.14917	0.7
275.10529	0.5
283.10739	4.5
283.13535	0.6
301.11807	93.2
302.12140	4.5
319.12833	22.3
320.13110	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43205	0.8
56.96552	3.4
62.58279	1.0
64.46130	0.9
70.06600	4.8
72.08134	2.5
84.08121	3.1
95.08560	0.8
101.00880	2.0
110.07182	8.2
119.01903	7.2
131.01918	2.4
133.03435	1.0
137.02989	0.9
139.03642	1.0
143.01871	2.9
143.05634	1.1
145.03426	1.8
147.04999	1.7
155.01891	1.0
157.03528	1.7
157.04721	19.3
161.02940	5.5
171.05048	14.0
173.49586	0.8
179.52695	1.0
183.05118	1.2
185.04234	4.3
189.06070	13.3
201.06044	2.2
203.03941	1.3
219.39778	1.0
221.05019	5.3
224.02518	1.5
231.07193	2.2
257.05017	1.3
261.04507	1.6
285.27750	0.9
303.55661	1.0
319.09976	100.0
320.10333	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	3.8
70.06593	25.8
71.57727	5.0
72.08166	15.8
74.06110	5.2
81.03402	5.0
83.06097	7.6
84.04492	11.2
84.04968	3.2
84.08149	39.0
85.02911	5.9
86.09717	6.6
87.05571	3.8
87.10062	3.0
88.03970	3.7
93.04521	4.5
96.50067	3.3
101.00905	5.3
102.05531	5.0
105.73141	3.4
107.04971	5.9
110.07167	53.8
116.07062	3.6
116.98599	4.3
119.01917	34.1
120.08108	4.7
129.10260	15.0
130.05019	3.0
130.08675	4.4
131.01926	12.3
133.03458	5.9
133.06110	3.8
137.02943	9.9
143.01892	12.7
145.03464	4.7
149.03000	7.0
155.01910	10.7
156.07668	11.7
157.04686	16.0
159.09097	6.8
161.03001	27.9
170.06027	4.8
171.05014	11.4
173.02911	24.2
173.06573	4.7
175.02834	4.2
175.11920	4.4
184.04558	5.1
185.02837	4.5
189.06097	14.3
203.03812	6.7
204.13464	7.1
217.01904	9.8
217.05595	9.8
219.02657	3.6
221.05020	9.5
238.82568	3.9
247.06699	3.6
301.04190	3.8
319.10403	100.0
319.16071	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	319.0378
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	25.3
70.06599	8.1
70.49069	5.2
70.95864	10.4
71.58704	9.7
72.08133	6.1
72.27776	5.3
72.93790	19.4
84.08148	6.1
90.94832	12.6
91.05481	6.8
93.44347	5.4
107.04958	24.8
110.07166	8.7
112.09261	5.4
116.81438	5.9
116.98621	6.2
117.05750	11.7
118.06561	9.5
119.05003	5.7
130.06523	89.7
131.07307	27.8
132.08083	100.0
132.95839	25.5
134.99672	7.5
143.07281	9.2
144.27637	5.4
146.06013	8.6
147.04378	6.9
150.96899	95.6
156.64558	5.2
158.09669	11.8
159.09171	17.9
161.02966	13.7
169.07698	6.5
170.05984	12.7
177.00792	8.2
181.01736	17.1
185.06964	7.6
187.08720	6.3
188.01517	6.5
192.03314	10.1
199.02713	7.0
201.99617	7.4
211.87166	5.6
214.03168	25.2
217.99092	8.9
220.00612	14.6
220.02737	6.7
221.05031	6.6
231.02141	7.3
232.00520	8.8
235.99791	6.2
250.01622	6.8
258.02142	59.8
261.05536	9.0
274.01593	54.5
276.94946	6.3
277.02643	49.6
277.05035	6.5
294.96268	8.1
302.01196	74.1
302.11255	6.5
319.03812	17.4
319.09860	9.2
319.13495	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2062
Annotation	Tetrabenazine
Peak:m/z	Relative Intensity
51.02368	0.5
53.03935	2.1
55.01643	0.5
55.01863	4.9
55.05502	3.6
56.05022	1.0
56.96547	1.1
57.03423	0.6
57.07053	1.6
62.06086	0.5
65.03920	1.4
67.05497	17.5
68.05000	2.6
69.03429	0.7
69.05811	0.8
69.07066	2.9
70.04051	1.6
70.06590	3.5
71.05003	0.8
72.04483	0.5
79.05486	20.5
79.05953	1.2
80.00719	0.5
80.04994	3.1
81.03403	1.5
81.07043	8.4
81.13543	0.5
82.06565	1.8
83.04966	0.9
83.08586	1.5
84.04473	1.0
84.08100	0.6
85.06521	0.9
86.06058	0.8
87.55094	0.4
88.07613	1.1
91.05466	12.5
91.82819	0.5
93.05766	0.7
93.07036	13.3
94.06560	11.0
95.04956	4.8
95.07329	0.5
95.08603	5.8
96.08118	14.0
97.06502	0.5
98.06036	1.1
103.05459	0.8
105.04531	0.6
105.07008	5.7
106.06517	2.5
107.04949	8.3
107.07352	0.8
107.08582	6.2
108.08108	2.6
109.05249	1.5
109.06481	1.8
109.10177	3.0
110.06013	1.4
112.07610	5.3
117.05746	0.7
117.07005	2.1
118.06543	2.9
119.08583	2.6
120.08086	13.3
120.08928	0.9
121.06474	2.6
121.10153	2.6
122.06035	6.4
122.09656	0.9
122.94092	0.5
123.08090	1.2
124.07566	1.3
129.06987	1.6
131.08568	3.2
132.08081	1.4
133.06500	1.2
133.08836	1.8
133.10129	1.3
134.05972	0.8
134.09616	1.4
134.99612	0.6
135.08078	0.7
135.10774	0.5
135.11681	2.7
136.07558	34.8
137.08273	0.6
138.09111	0.9
143.08511	0.9
145.06548	0.8
145.10109	2.2
146.09637	2.8
147.11670	1.4
148.07558	16.0
148.11127	0.9
149.08374	4.6
149.09491	1.1
150.09134	3.0
156.08109	0.8
156.09290	0.7
158.09584	1.0
159.08076	0.7
159.11623	1.0
160.07582	1.3
160.11165	1.3
161.09583	0.5
162.09134	2.9
162.12828	0.7
162.96992	0.6
163.11156	6.5
170.09633	1.4
171.10347	0.7
171.11671	0.9
172.11191	0.9
174.09081	3.4
174.12756	0.9
176.10722	2.2
177.12851	0.7
184.11198	1.0
188.10719	0.9
195.00732	0.8
223.02715	0.8
224.16359	0.5
229.10968	0.5
229.56552	0.8
241.14290	0.7
247.17422	0.6
250.03708	1.5
262.17871	0.8
272.20096	4.5
274.21643	1.8
282.18582	3.3
288.19586	0.9
290.21069	3.3
300.19547	54.2
301.19888	2.9
318.06918	2.3
318.20602	100.0
318.29807	2.3
319.07065	2.1
319.20920	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	318.2024
Annotation	Leu-Val-Ser
Peak:m/z	Relative Intensity
55.05510	6.9
56.05029	2.1
60.04524	26.0
60.08153	1.0
63.20229	0.8
67.05502	1.3
68.05015	1.0
69.07063	1.7
69.57549	1.1
70.02953	1.6
70.06593	13.6
71.57539	1.3
72.08154	75.6
73.08450	1.4
74.06060	1.4
79.05487	1.0
81.03445	1.0
81.07041	2.6
82.06581	1.0
82.47474	0.9
83.06105	1.0
83.84184	0.9
84.04484	2.9
84.08144	11.3
86.06055	1.1
86.09703	40.8
87.05580	16.9
87.10021	1.5
91.05468	1.7
94.06545	1.7
95.06111	1.1
96.08111	1.6
99.11156	0.9
102.05535	1.3
103.05474	1.7
104.10724	1.3
105.07047	1.5
107.04951	6.5
108.05331	1.2
110.07159	2.7
112.11237	1.4
114.09159	18.7
120.08091	9.0
121.10207	1.1
128.10751	2.1
129.10226	3.8
130.05003	1.3
130.06516	1.7
130.80899	1.1
132.10194	5.5
133.06535	1.6
157.07617	2.6
159.11288	100.0
160.11534	1.0
173.12865	22.2
184.07339	6.5
187.10777	23.2
187.14346	1.2
196.13379	1.1
201.12314	3.7
210.14964	2.9
211.13338	1.6
228.15919	1.7
231.16959	1.1
274.16495	3.2
300.14252	1.1
301.15524	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1813
Annotation	Ile Trp
Peak:m/z	Relative Intensity
52.62232	0.7
56.05042	0.8
60.04535	1.0
67.05471	1.8
68.43977	0.9
69.07055	2.2
69.60529	3.6
69.60957	1.9
70.06596	9.1
71.04980	0.8
72.08159	4.2
75.06071	0.7
79.05468	1.0
79.17318	0.9
81.07053	1.3
84.04498	1.8
84.08150	6.1
86.09705	100.0
87.10040	1.1
91.05475	4.0
93.43691	0.7
97.02931	0.8
98.97574	1.0
103.05459	1.3
104.10738	1.0
107.04947	1.2
110.07148	1.6
110.40362	0.7
113.10781	2.0
115.05498	1.2
116.07107	0.8
117.05795	0.8
117.07009	1.1
118.06551	9.0
120.08108	4.7
125.00003	1.2
129.10257	3.8
130.06532	7.7
130.08585	1.5
132.08099	9.4
132.49118	0.8
137.00555	4.2
141.10216	6.6
142.06525	1.7
143.07286	1.2
144.04486	1.1
144.08070	10.7
146.06009	36.7
159.07954	1.6
159.09174	13.3
160.07654	1.8
170.05951	4.0
184.07465	2.0
188.07062	73.4
189.07449	0.9
205.09720	46.9
206.02756	1.2
216.04344	1.0
262.01758	1.0
273.15771	0.7
282.20761	2.7
286.20065	0.8
291.04388	1.1
301.15430	4.0
318.18137	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	318.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	19.6
56.05031	10.4
57.03410	6.7
67.05482	18.5
69.07066	11.6
69.59506	46.5
70.06591	30.6
79.05476	19.8
80.05029	9.1
81.03417	30.8
81.07040	20.1
82.06578	8.6
83.04977	15.8
83.08601	16.8
90.05550	67.4
91.05450	19.3
92.59298	6.4
93.07024	12.3
94.06541	6.4
95.04939	8.6
95.08622	11.1
101.62609	5.8
105.07024	12.1
107.04965	16.3
107.08633	8.9
111.08018	6.2
119.04904	8.8
129.07031	8.8
131.08528	7.3
132.10225	8.4
133.10120	11.5
147.04388	13.9
147.11577	9.3
149.09637	10.0
154.95787	5.5
157.10164	11.9
166.12236	7.6
175.11192	11.9
190.59442	7.3
192.13786	7.1
193.12228	39.7
196.13274	10.4
210.14854	89.8
211.13295	100.0
224.69020	6.4
228.15955	87.1
242.08096	10.9
254.17528	7.6
256.15491	18.6
260.07193	6.1
274.16516	55.9
282.16940	12.8
300.17987	20.3
301.11771	11.3
318.06863	29.2
340.82343	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	318.1814
Annotation	Ile Trp
Peak:m/z	Relative Intensity
55.05482	0.4
56.05034	1.2
56.96556	0.5
57.03434	0.5
57.05798	0.6
58.06588	0.7
60.04527	0.4
60.08140	0.4
63.44073	0.4
67.05512	0.6
69.07069	14.6
70.06596	3.5
71.11768	0.5
71.12075	0.5
72.08149	2.0
79.05511	0.4
81.07043	0.5
84.04504	0.8
84.08158	2.0
86.09707	100.0
87.10045	0.8
91.05476	0.7
93.07034	0.6
102.02492	0.4
104.10728	0.6
105.07050	0.4
107.04962	1.8
110.07169	0.8
110.09647	0.5
113.10789	0.9
115.05418	0.4
116.89542	0.3
117.05819	0.3
117.07025	0.5
118.06554	5.1
120.08117	1.6
121.02877	0.7
121.06393	0.4
129.10274	1.0
130.06555	1.5
132.08096	2.0
141.10194	2.1
142.06534	0.8
143.07327	0.4
144.08089	4.1
146.06010	19.9
146.09813	0.4
150.62898	0.4
159.09201	4.4
170.06042	1.5
184.07506	0.8
187.08681	0.4
188.07066	46.4
189.07501	1.1
205.09729	31.5
206.09958	0.6
216.10529	0.5
236.40227	0.4
259.11188	0.5
272.39737	0.4
274.16623	0.6
318.18149	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	318.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34435	4.6
53.84600	5.4
55.01869	13.4
56.96545	6.6
57.03422	15.6
69.03421	14.8
70.03011	25.8
70.04057	12.4
70.06581	16.4
71.01357	11.1
71.02460	11.1
71.04892	6.0
72.05626	7.3
72.08154	48.4
73.02911	20.3
73.04034	5.0
84.04504	15.7
84.08136	17.1
85.02898	30.5
86.09702	74.3
89.03518	14.0
97.02909	13.6
97.05125	9.1
98.03547	53.1
98.05924	12.0
98.21455	5.4
98.97591	7.2
99.04319	7.1
100.05098	8.2
102.05566	7.4
107.04941	42.7
108.04369	6.4
109.05106	9.3
110.03523	8.0
115.03913	9.6
115.06176	44.3
116.98582	6.4
124.03825	8.6
125.04593	11.6
125.06977	100.0
126.05367	29.3
126.07742	21.9
127.06166	6.9
129.10231	8.1
130.05006	13.7
130.10561	6.0
133.04939	10.4
134.85254	5.4
136.06194	48.8
137.04604	13.2
140.04518	5.5
140.05579	7.0
141.04079	10.0
141.06468	24.8
143.05638	76.5
148.06081	8.3
152.05711	15.7
153.06467	75.9
154.07228	39.0
157.04871	6.5
158.06712	8.8
159.03256	6.1
164.05681	11.2
170.04533	7.0
177.08766	7.4
182.06787	13.0
185.16458	13.9
186.06232	39.8
257.11237	8.7
275.09824	11.1
285.10626	14.3
294.71063	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	317.9775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	5.1
56.96560	80.3
70.06574	18.4
71.23887	8.3
72.08153	100.0
73.08478	5.5
74.97625	4.9
80.64313	4.2
84.04502	7.2
84.08132	15.3
86.09699	18.0
89.10764	16.9
98.09666	15.1
107.04949	33.8
111.36804	4.1
116.00227	7.5
120.08047	5.5
132.10210	9.7
134.01237	12.8
134.02963	9.2
141.06596	11.7
152.02290	4.4
159.07652	7.0
163.00685	8.2
180.97920	12.5
181.01709	79.6
187.07079	9.2
193.12300	5.1
198.99007	27.2
199.02789	34.4
211.13326	8.2
212.98877	7.6
214.96271	6.0
222.06160	11.0
229.94487	5.0
238.17915	5.4
256.19095	21.9
257.19321	5.1
276.92383	5.6
276.94968	25.4
294.96146	85.2
295.12354	5.2
306.75922	4.8
311.27686	4.6
312.97342	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	317.2473
Annotation	Cannabigerol
Peak:m/z	Relative Intensity
55.05509	14.3
56.96568	12.1
65.03951	1.3
67.05506	22.4
69.07069	13.8
70.10737	6.1
71.02167	1.4
71.04979	3.3
71.95262	1.6
74.97620	1.5
79.05494	18.7
81.07059	23.2
83.08614	5.6
85.06496	1.3
91.05480	40.2
93.07036	19.3
95.04961	4.9
95.08608	20.0
97.06542	1.8
97.10158	2.6
98.21423	2.1
103.05458	1.3
104.06288	1.4
105.07030	60.7
107.08582	14.0
109.06493	2.3
109.10132	6.3
117.07026	11.6
119.08585	52.2
121.06477	2.4
121.10144	6.9
123.11672	2.0
128.98581	1.9
131.08569	16.4
132.09297	1.6
133.10132	36.3
135.08044	1.9
135.11674	4.7
143.08559	2.0
145.10121	13.2
146.99655	3.3
147.11697	24.7
149.13210	1.8
157.10118	3.7
159.11720	10.1
161.13240	17.8
161.14445	1.9
171.11615	2.0
173.13268	6.6
175.14818	12.1
179.02219	1.3
183.11781	1.6
187.14848	3.3
189.16389	2.2
197.13307	1.9
199.14789	1.6
201.16443	1.6
202.78851	1.4
271.23929	1.5
273.08450	1.2
275.19995	3.0
275.23495	1.4
289.25232	1.9
299.23639	11.2
317.06500	8.8
317.18066	20.7
317.24756	100.0
318.24973	4.5
335.18930	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29259	2.0
55.01859	2.5
55.05498	6.6
55.99327	1.5
56.05021	6.0
56.96559	3.7
58.06605	2.4
60.04510	5.6
61.68641	1.8
65.69479	1.8
67.05495	3.9
68.05013	2.0
69.03405	2.0
69.07062	8.1
70.06591	56.1
71.06920	4.0
72.08153	100.0
74.06080	1.8
76.48109	1.7
79.05495	4.5
81.03403	8.6
81.07047	2.2
83.04967	3.4
83.06091	3.4
83.08600	3.7
84.04504	9.3
84.08139	42.4
85.02878	5.6
86.09701	84.5
87.05594	4.5
87.10023	2.7
89.10317	2.8
89.10792	22.5
91.05466	7.5
93.07036	3.4
95.08596	2.7
97.06521	1.8
98.09687	42.9
101.07137	2.5
102.05518	2.8
103.05445	2.3
105.07079	4.6
107.04947	15.6
109.02853	2.2
110.07164	10.2
110.09666	2.7
115.05044	2.1
115.08691	2.5
116.07091	4.9
117.24446	1.8
119.08513	1.9
120.08128	10.2
121.02872	4.1
121.06486	4.9
125.03214	1.9
125.99982	1.7
127.03895	2.2
129.10240	22.3
130.05000	3.1
130.06499	2.6
130.08644	3.7
141.10223	1.8
145.06445	3.2
147.11288	2.6
157.10110	2.9
160.02724	2.0
172.07249	1.9
176.26910	2.0
177.00664	2.4
190.96324	3.2
193.12221	6.2
196.83575	2.0
200.13940	5.7
204.13451	2.2
211.13258	14.6
213.08681	1.8
214.96268	3.1
238.17966	5.7
256.19073	13.6
299.23267	14.0
300.21564	2.3
317.11383	10.6
317.14841	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	317.211
Annotation	15-deoxy-delta-12,14-PGJ2
Peak:m/z	Relative Intensity
55.01861	4.7
55.05511	18.3
57.07056	9.5
59.04983	8.8
67.05500	73.0
68.05816	2.8
68.88181	1.9
69.03393	5.5
69.07049	6.6
69.85217	4.9
69.85619	9.2
71.04998	3.6
73.79451	2.2
79.05478	17.7
81.03404	3.2
81.07054	39.3
83.04974	6.5
83.08595	5.1
85.06491	3.0
91.05478	22.9
93.07041	28.6
95.04964	35.9
95.08600	26.9
97.06509	10.1
105.07019	25.8
107.04948	4.4
107.08585	49.0
109.06512	23.8
109.10151	100.0
110.10388	3.3
115.05446	3.3
117.06999	4.9
119.08576	79.5
121.06491	8.5
121.10121	11.7
123.08067	36.0
123.11791	2.5
125.05991	3.4
129.07025	2.8
131.08542	12.2
133.06482	4.1
133.10146	12.3
135.08055	12.6
135.11670	3.2
137.06042	2.4
137.09612	81.4
138.09923	2.9
139.07510	2.8
142.07716	3.0
143.08537	7.4
145.10117	10.8
147.08067	6.6
147.11638	7.2
149.09578	6.8
151.07532	90.0
152.07874	3.0
153.05478	5.1
153.09079	3.9
155.08578	3.8
156.09372	5.8
157.10155	5.1
159.08002	5.5
159.11702	7.2
161.09634	11.9
161.13246	3.7
163.07568	2.6
163.11136	5.2
165.09085	8.5
167.06978	2.9
171.11693	8.1
173.09641	3.4
173.13260	3.3
175.11116	3.5
177.09117	4.5
177.12758	3.3
179.10718	4.0
181.08585	9.0
181.12126	2.5
183.11609	4.6
184.96164	2.8
189.12720	30.6
191.14265	2.8
197.13306	4.1
199.11078	2.8
203.14362	4.3
207.13818	39.6
208.14264	2.4
211.14522	2.4
213.12624	2.6
215.14284	4.3
221.15408	5.2
225.12883	4.5
233.15317	5.3
237.14815	6.3
238.08746	2.6
241.15738	2.6
243.13817	11.6
256.26340	2.8
261.14755	5.3
281.19110	3.2
299.20035	15.9
317.06653	3.4
317.21082	90.5
318.21411	6.4
318.29971	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	317.182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09334	2.4
53.81757	2.1
56.05035	4.6
56.96560	7.0
59.01900	1.9
60.04526	6.9
60.28591	2.1
62.32552	2.3
67.05521	2.0
69.03437	2.8
69.04532	2.4
69.07072	11.2
70.02962	2.6
70.06591	37.7
71.06948	2.7
71.57337	3.1
71.74078	2.0
72.08158	16.5
74.06046	3.1
75.05615	6.6
83.06082	4.1
84.04502	23.5
84.08147	39.6
85.02943	3.1
85.04037	3.8
85.08447	2.4
86.06067	2.6
86.09706	100.0
87.05589	9.8
88.04003	4.7
90.05561	7.9
96.04491	3.7
96.08152	6.5
97.02924	2.5
98.02422	8.5
98.06065	2.3
98.97585	4.4
101.10787	2.7
102.05536	4.7
102.11157	2.2
107.04960	15.3
110.07161	6.4
115.05089	2.5
116.07140	4.1
116.98664	4.5
120.08125	2.4
124.03963	4.4
124.47791	1.9
129.10225	20.2
130.05028	3.9
130.06532	2.3
134.99580	2.7
136.93126	2.6
138.09149	5.2
141.10228	16.5
143.11798	8.2
146.99654	2.7
147.07703	3.1
147.11272	2.9
148.06104	4.2
152.03423	2.5
154.94147	4.3
155.11803	18.2
157.07587	3.8
169.06252	3.1
172.95244	25.2
174.00842	4.5
183.11284	15.2
186.06807	2.5
186.08760	4.1
190.96320	17.8
197.12813	4.6
200.13931	61.1
209.55135	2.2
214.96361	14.2
228.13516	6.7
232.97363	3.2
244.97360	3.4
260.10486	3.1
283.12921	4.7
317.11996	9.6
317.22067	2.7
334.99902	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.1
55.05495	1.8
56.96564	0.8
57.07062	0.8
63.42292	0.5
64.87357	0.4
65.03931	1.1
67.05501	3.7
69.07050	2.0
70.56715	1.2
71.04990	0.5
72.08145	1.1
74.97136	0.4
78.04711	0.8
79.05489	2.3
81.03419	0.7
81.07049	4.6
83.08604	1.6
90.27100	0.4
91.05477	20.8
93.07029	4.9
95.04963	3.6
95.08600	5.0
97.06498	0.5
97.10158	0.6
98.78129	0.4
98.97580	1.2
103.05440	0.7
105.04479	0.8
105.07032	2.5
107.04935	1.8
107.08598	4.4
109.06497	0.5
109.10149	7.0
114.86081	0.4
116.98579	0.9
117.07005	0.6
119.04947	0.4
119.08572	0.7
121.02869	0.6
121.06499	42.3
121.10128	5.8
122.06857	0.8
123.04426	1.2
123.08088	1.1
123.11723	4.6
124.01521	0.5
125.01525	1.6
129.06990	0.7
131.08601	0.9
133.07520	0.5
133.10164	0.8
134.03644	1.0
134.99672	0.8
135.08034	1.6
135.11681	2.5
137.02361	0.9
141.06932	0.5
145.06444	0.5
145.10115	1.0
147.08057	0.8
149.05971	100.0
150.06342	1.6
151.07542	4.3
158.97641	5.3
159.08034	0.7
161.06006	1.3
161.09593	0.6
163.07541	2.9
166.08658	0.7
167.03398	2.4
167.07037	10.0
171.08064	0.8
172.08841	1.2
173.09584	1.3
175.07545	1.9
177.05460	78.5
177.08965	1.8
178.05794	1.9
179.03441	0.8
185.09692	1.0
187.07539	3.7
187.11147	1.1
189.09102	2.7
191.07080	2.0
191.10553	0.8
194.08192	0.5
195.06526	39.3
196.06898	0.9
201.09146	3.0
203.07054	0.7
203.10666	0.9
209.07887	0.6
211.14783	0.6
215.07057	0.9
215.10672	4.1
217.08527	0.6
219.06557	1.1
220.62363	0.5
221.08170	0.7
228.04234	0.7
229.08626	0.9
229.12198	0.8
231.10097	0.6
233.08052	4.4
234.08008	0.5
235.09624	0.9
243.06499	1.5
243.10236	1.7
247.09669	2.5
260.10062	0.5
261.11142	1.4
271.06070	1.0
271.16925	13.6
274.04675	1.8
274.11481	0.8
285.12466	0.5
289.18488	0.5
299.16391	7.9
300.16675	0.6
302.04239	0.7
311.93839	0.7
317.06522	23.1
317.17603	6.1
317.21103	0.5
318.05856	4.0
318.10690	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52369	0.5
53.03939	1.1
55.05510	2.3
55.97725	0.5
56.96552	0.5
57.07073	0.8
65.03941	0.9
67.05497	4.6
69.07063	3.5
69.66988	1.6
69.67400	1.7
72.08123	0.8
79.05482	3.1
81.03393	0.7
81.07054	5.8
83.08610	1.9
85.02895	0.8
87.81628	0.5
91.05469	10.3
92.14111	0.5
92.43174	0.5
93.07043	5.1
95.04974	3.5
95.06059	0.6
95.08589	3.7
97.06523	0.5
97.10159	1.0
98.20805	0.8
98.97575	0.5
105.04498	0.5
105.07011	2.9
107.04945	49.4
107.08588	4.3
108.05286	0.8
109.06493	0.6
109.10151	9.1
110.14437	0.5
115.05460	0.5
116.98620	1.0
117.07002	0.9
119.08552	1.8
121.06495	45.0
121.10123	6.9
122.10477	0.5
123.04388	0.6
123.08079	1.7
123.11698	6.4
125.01533	1.0
128.06213	0.5
129.07027	0.7
131.70076	0.5
133.10141	1.1
134.03625	1.2
135.08041	1.5
135.11690	2.6
141.06950	0.6
143.08534	0.6
145.06439	1.0
147.08035	1.3
148.07578	0.8
149.05966	100.0
150.06317	1.4
151.07574	3.0
151.08609	0.7
158.07205	0.9
158.97636	1.6
159.08061	0.7
161.06046	0.9
161.09654	1.0
163.07530	3.6
166.08620	1.2
167.03424	0.8
167.07045	10.5
169.09718	0.7
171.08043	1.4
172.08797	1.3
173.09645	1.5
175.07509	2.0
177.05455	78.9
177.08954	1.6
178.05850	1.4
178.07697	0.5
179.07071	1.1
179.08548	6.7
187.07559	3.3
187.11169	1.7
189.09056	4.0
191.07030	2.4
191.10690	0.7
192.93867	0.7
193.04980	0.5
194.07982	0.7
195.06511	36.8
200.08324	0.9
201.09088	4.4
203.10634	1.1
209.07977	0.6
211.10831	1.5
211.15016	0.6
215.07010	0.8
215.10651	5.2
219.06532	1.9
221.08052	0.8
229.08636	1.7
229.12276	1.2
231.10175	0.6
233.08005	3.8
235.09634	1.1
241.12469	0.6
243.06516	0.5
243.10196	2.8
243.17375	0.6
247.09599	3.3
248.09505	1.3
248.11803	13.5
249.12134	0.9
256.14423	0.6
261.11203	2.3
271.16928	16.2
272.17139	0.7
274.04593	0.7
274.11502	0.7
275.12802	0.6
299.16455	7.2
317.06519	8.3
317.14322	1.1
317.17834	5.8
318.05698	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
54.72965	0.5
55.05506	3.4
56.96568	0.5
57.03445	0.5
65.03918	1.2
67.05497	3.6
69.07058	2.9
70.16774	1.8
71.04953	0.8
72.08141	0.5
72.95441	0.5
76.20657	0.5
77.19226	0.4
79.05478	1.9
81.07056	3.9
82.25574	0.4
83.04964	0.6
83.08643	2.7
91.05473	11.9
93.07023	3.8
95.04961	2.6
95.08593	4.9
97.10157	0.9
103.05436	0.8
105.07014	3.6
107.04935	1.6
107.08573	3.4
109.06484	0.5
109.10159	7.2
116.98635	0.4
119.04953	0.7
119.08580	1.2
121.02866	0.6
121.06502	42.6
121.10135	5.3
123.04427	1.3
123.08109	0.8
123.11712	5.6
128.06197	0.6
129.06960	0.8
131.04929	0.6
133.10153	1.1
134.03584	0.5
135.08018	1.5
135.11693	2.2
137.02304	1.4
141.06993	0.5
142.32951	0.5
145.06477	0.8
145.10089	0.7
147.08009	0.9
149.05972	100.0
150.06323	2.3
151.03906	0.5
151.07535	4.1
155.08549	0.8
157.06525	0.5
158.07253	1.0
158.97652	3.4
159.08049	1.7
161.05959	1.4
161.09634	1.2
163.07550	3.0
167.03363	1.8
167.07043	9.5
171.08067	1.0
171.26140	0.4
172.08810	1.3
173.06030	0.6
173.09604	1.9
174.06807	0.6
175.07565	2.5
177.05461	78.6
178.05807	1.7
179.03450	0.7
179.06999	1.0
185.09656	0.8
187.07533	3.6
187.11179	1.4
189.09129	4.9
191.07068	2.6
191.10660	1.3
195.06526	40.3
196.06963	0.9
200.08232	0.8
201.09126	5.6
203.06973	0.9
203.10620	1.4
209.08138	2.0
211.14763	0.6
215.07051	1.7
215.10646	6.4
217.08595	1.8
219.06538	1.5
221.08128	1.0
228.04100	0.6
229.08646	3.5
229.12199	1.3
231.10182	0.8
233.08069	5.5
235.09601	1.6
243.06526	1.4
243.10080	2.8
247.09660	4.2
256.03641	0.5
257.11664	0.6
261.11328	2.5
270.01965	0.5
271.16925	18.3
272.17151	0.9
273.04153	0.5
274.04626	2.1
299.16422	6.8
302.04257	0.7
317.06537	21.8
317.17554	7.9
318.05661	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
55.05497	3.5
64.22143	0.8
67.05505	5.0
69.03415	1.3
69.07056	3.9
69.32544	9.1
70.06574	2.3
71.04953	1.2
72.08149	2.3
79.05499	2.1
81.03406	2.7
81.07045	5.7
83.08620	2.5
84.08115	1.8
85.02902	1.1
91.05471	7.1
93.07044	6.1
94.07375	1.4
95.04984	4.9
95.08591	5.6
97.06487	0.9
97.10162	0.9
103.05459	1.2
105.07018	3.5
107.04945	11.0
107.08558	5.1
109.06417	1.0
109.10146	10.4
110.07211	0.8
111.08158	1.2
115.05335	1.0
119.04917	0.9
119.08598	1.6
121.02848	3.8
121.06492	52.5
121.10121	7.1
121.19653	0.8
122.06828	6.8
123.04457	1.9
123.11691	6.5
128.06221	1.2
131.08531	1.5
133.10103	2.5
135.08022	1.9
135.11658	2.1
137.05980	0.9
143.08524	1.5
145.10217	1.2
149.05968	100.0
151.07558	3.7
151.11165	1.0
152.14365	3.3
153.14668	2.8
157.07574	1.3
159.08061	1.4
161.05963	1.3
161.09697	1.1
163.07576	2.1
164.07138	1.4
167.03395	2.6
167.07048	11.5
172.08809	1.6
173.09581	0.9
174.06718	1.0
175.07466	2.4
177.05457	73.1
178.05838	0.8
187.07503	4.3
187.11072	1.1
189.09111	3.1
191.07066	2.0
195.06517	37.5
197.04652	1.1
201.09096	3.5
203.10622	1.6
206.01640	1.1
209.07936	0.9
210.07880	1.9
215.07158	1.3
215.10678	4.1
217.08575	1.0
219.06525	2.2
223.04123	0.9
229.08655	1.4
233.07993	4.1
235.09547	1.3
243.06514	1.6
243.10179	2.4
247.09657	3.6
253.15881	1.0
261.11249	1.2
271.16888	17.3
272.19995	1.2
273.20358	12.8
274.04721	1.3
299.13608	1.0
299.16327	5.6
317.06461	26.4
317.17923	4.9
317.23013	13.8
318.06824	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	317.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.05500	2.3
55.95784	0.5
56.96563	3.2
57.03435	0.9
65.03943	1.3
66.96946	0.6
67.05494	4.2
69.07060	2.2
69.17870	0.8
71.04964	0.8
72.08150	1.2
73.02923	0.9
79.05482	1.2
81.03392	0.7
81.07050	4.3
83.04964	0.6
83.08631	1.6
85.02873	1.1
91.05478	6.6
93.07043	4.2
95.04970	2.6
95.08595	3.5
97.02876	1.8
98.20685	1.4
98.97576	2.2
105.07025	3.5
107.04960	2.8
107.08562	3.5
109.10149	7.8
116.98630	1.2
121.02824	1.7
121.06499	43.7
121.10137	6.2
122.06802	0.9
123.04424	0.6
123.08044	1.0
123.11690	4.5
124.29171	0.7
128.98596	1.8
129.06978	0.8
133.10153	1.8
134.03598	0.7
135.08060	1.9
135.11676	2.1
143.08546	1.3
146.99602	2.0
149.05972	100.0
150.06314	2.4
151.03897	6.9
151.07526	3.4
152.04163	1.3
153.01950	0.8
158.07309	0.6
159.08035	1.1
161.01300	0.8
161.06015	0.8
161.09718	0.9
163.07524	2.6
167.07037	7.8
170.99638	0.9
171.08101	1.0
172.08806	1.3
173.05981	0.9
173.09607	1.9
174.06802	0.8
175.07556	2.9
177.05463	76.0
177.09007	1.6
178.05754	1.4
187.07523	4.0
187.11147	1.3
189.09102	4.0
191.06964	1.6
191.10587	0.7
194.08191	0.9
195.01347	1.0
195.06522	38.7
196.01949	0.8
196.06851	1.0
201.09116	4.3
203.10704	1.6
215.10596	4.4
216.96523	0.7
217.08543	0.9
219.06567	1.4
221.08099	0.8
229.04951	0.8
229.08582	2.4
229.12070	0.7
233.03159	0.7
233.07996	4.2
235.09654	2.0
243.10178	2.3
247.09711	3.6
261.11179	2.2
267.09186	1.4
271.16910	14.5
283.05402	0.9
285.10083	1.7
299.05511	4.9
299.16412	6.7
300.16937	0.8
306.05655	1.1
315.06229	2.2
317.06583	10.7
317.17493	8.3
318.06876	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00319	0.8
53.03936	1.8
55.05492	2.9
56.96561	1.6
57.03413	0.7
59.04989	0.8
59.19425	0.6
65.03909	1.9
65.57552	0.7
67.01856	0.7
67.05500	4.7
69.03407	1.4
69.07050	2.5
70.06575	1.6
70.91443	1.1
70.91777	1.4
71.04990	10.5
72.08133	3.0
73.02905	0.7
79.05481	2.5
81.03381	1.7
81.07037	4.6
82.07410	0.7
83.08591	1.4
85.02889	1.0
86.09669	1.0
87.04430	0.7
91.05457	6.2
93.03402	0.8
93.07028	3.9
95.04955	4.4
95.08581	3.1
97.06536	1.1
98.09670	0.9
98.12055	0.7
99.08098	2.0
105.04527	0.7
105.07019	2.6
106.06507	0.7
106.96516	0.7
107.04953	4.3
107.08582	2.4
109.06483	0.8
109.10139	9.7
116.98584	0.8
117.07006	0.9
119.08546	1.7
120.08115	1.1
121.02850	1.2
121.06498	44.5
121.10146	3.1
123.04392	5.0
123.08036	2.8
123.11722	1.2
124.01540	0.7
125.02343	0.9
127.11176	2.2
128.06212	1.0
133.10118	1.3
134.03654	1.5
135.08055	2.5
135.11661	1.1
136.07579	1.3
137.02316	4.9
137.05917	0.9
141.05528	0.8
143.08546	3.1
145.06473	1.0
145.10109	1.1
146.06009	1.0
147.08037	1.3
149.05965	83.8
150.06285	1.1
151.03880	1.1
151.07523	21.9
151.11087	1.5
153.12802	0.9
158.06046	1.3
158.09631	1.1
159.07985	1.2
159.11662	1.0
160.08800	0.8
161.09647	1.3
163.03882	1.8
163.07501	3.4
164.07056	3.1
165.05476	2.0
165.09175	0.9
166.08574	1.4
167.03380	7.5
167.07043	8.2
168.55421	0.7
171.08099	0.9
172.08823	1.5
173.06003	0.8
173.09488	0.9
175.07503	2.0
175.11095	1.4
177.05455	62.2
177.09004	2.1
179.03387	2.9
185.09616	0.9
186.09120	8.2
187.02383	1.2
187.07507	1.7
187.11150	0.9
188.08340	1.3
189.09082	2.5
191.07040	2.0
191.10625	3.9
193.04924	2.7
195.06506	3.2
197.04451	1.0
199.11261	0.7
200.04732	1.5
201.09091	1.1
201.13208	1.1
203.10657	14.5
205.12167	1.6
212.10690	1.6
215.07094	3.4
215.10571	4.7
217.08557	1.5
217.12169	1.8
228.04112	1.6
229.05144	0.7
229.08548	2.3
229.13393	13.6
231.10117	10.6
231.13774	1.5
243.06458	5.7
243.10187	2.7
246.05130	1.0
247.09546	0.7
257.04434	1.2
257.15414	0.9
271.06058	3.2
271.14273	3.4
271.16943	12.8
273.03873	1.2
273.20276	0.9
274.04706	6.5
275.13873	2.2
288.06183	1.1
289.14990	1.6
289.17950	16.6
299.05600	1.4
299.13617	1.1
299.16467	8.1
299.23724	0.7
302.04303	5.2
317.06540	100.0
317.14651	2.2
317.17581	21.3
317.25247	3.4
318.06848	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	317.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.7
55.01864	3.3
55.05500	1.6
56.05027	2.4
56.96574	1.1
60.04507	1.3
60.08168	0.9
65.03947	4.6
66.73777	0.6
67.05498	2.5
69.03400	0.7
69.07071	1.3
70.06253	1.2
70.06597	17.2
71.57609	1.5
72.08158	11.7
74.06102	0.9
79.05488	3.2
81.03432	0.9
81.07062	0.8
84.04508	2.9
84.08136	12.5
86.09708	15.0
87.05591	1.4
87.10048	1.0
88.03983	0.8
91.05473	5.9
92.11422	0.6
93.07040	1.3
95.04985	1.9
96.08129	0.9
98.09686	1.4
102.05547	1.3
103.05465	2.4
104.10749	3.8
105.07034	11.9
107.04955	11.7
109.10201	0.8
110.07175	3.2
110.09679	1.3
111.04449	5.4
112.11227	2.2
115.96503	1.0
117.07001	1.6
119.04901	1.2
119.08555	1.4
119.57950	0.7
120.08103	3.2
121.02872	100.0
122.03190	1.5
123.04441	2.6
125.00007	1.9
129.10228	4.3
130.04987	1.3
131.04909	1.5
131.08624	0.9
133.05482	1.0
133.06499	19.5
133.10097	0.8
143.08646	0.9
143.11794	2.0
144.05721	0.9
145.06479	2.0
146.11772	2.1
149.06009	3.6
159.08055	2.0
161.09659	1.7
162.15454	0.8
171.07889	0.8
184.07341	5.5
187.07538	1.7
190.63602	0.7
194.11790	1.2
203.13898	0.9
203.22267	0.7
214.96117	0.8
221.09608	1.1
253.29459	0.8
254.13910	2.8
281.11856	0.9
299.12930	1.1
317.06519	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.9
55.05501	3.9
56.55860	1.5
56.96569	2.3
67.05492	5.6
70.06580	5.3
71.16603	3.4
72.08160	2.8
79.05489	3.6
80.04995	2.0
80.47782	1.4
81.07044	8.8
81.39749	1.6
81.44849	1.6
84.04510	3.7
84.08132	6.0
86.09693	5.9
91.05453	9.2
93.07028	3.6
94.06564	8.2
95.04997	1.8
95.08614	4.0
105.07010	4.4
106.06554	11.7
107.04950	6.8
107.07325	4.2
108.08115	20.8
109.10130	4.0
110.06031	6.3
115.05412	2.1
116.98617	1.8
117.07008	1.6
119.08598	2.3
120.08109	5.3
121.06524	1.7
122.06014	4.5
124.07579	3.2
129.06981	2.0
131.04936	3.4
131.08560	1.7
132.08060	3.1
133.10042	2.4
134.06015	10.4
135.06769	3.7
136.07584	6.9
143.08528	2.9
144.08089	2.2
145.06569	2.0
145.10051	1.7
146.09651	8.7
148.07552	18.6
149.06075	1.6
152.07076	8.8
156.08052	2.5
158.09686	2.4
160.11205	5.1
166.08669	11.5
167.03410	2.4
169.08862	4.1
170.09644	2.3
172.11201	2.0
173.10719	2.7
174.09149	10.8
179.10655	2.0
184.07303	2.0
184.11209	12.8
186.11505	5.1
186.12895	2.8
188.10706	7.9
197.08339	2.8
198.09099	4.7
198.12782	2.4
199.08492	3.4
199.10081	3.7
200.09262	2.6
201.10219	6.0
201.13922	8.8
202.12265	1.8
206.82808	1.6
211.12299	2.5
212.10814	9.8
213.10130	8.4
214.10960	15.3
215.11765	4.5
216.12416	2.9
226.12236	12.9
227.11842	2.0
228.12517	3.7
229.13362	100.0
230.11755	2.0
230.13704	3.5
241.09836	3.1
242.10445	5.0
243.14894	6.1
244.13324	10.6
253.13434	4.0
254.11758	2.9
255.14915	13.2
257.12851	40.8
258.12918	1.9
259.11047	2.1
271.14413	55.1
271.16815	2.1
272.12708	3.1
287.10681	2.1
289.12231	3.5
289.15466	72.8
299.13913	40.2
317.06613	6.6
317.11752	1.9
317.14932	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	5.0
67.03341	5.8
69.07072	6.4
70.06590	37.1
71.18243	4.7
71.18855	9.2
72.08153	59.0
75.05585	7.5
81.03391	6.0
83.06104	6.7
84.04498	19.8
84.08147	100.0
85.02884	14.5
86.09687	23.9
87.05558	7.3
96.71809	6.1
97.02872	6.0
98.68765	5.1
101.00861	9.8
106.61687	6.0
107.04948	11.1
116.07081	20.8
119.01897	28.2
129.10239	57.1
130.04956	10.1
130.08621	19.6
131.01897	18.3
141.06490	7.4
141.10194	6.0
143.01868	7.3
143.11763	19.1
147.07639	7.8
147.11281	17.0
149.02939	6.5
155.01938	12.0
156.07707	6.7
157.03542	5.5
161.03015	13.6
173.02913	34.5
186.08763	7.0
190.96341	12.1
190.99896	5.9
209.74013	5.5
214.96281	7.6
215.00261	5.2
215.03992	10.9
215.07622	7.7
221.05153	5.3
254.14937	5.7
317.06815	24.6
317.10953	8.6
317.18893	36.5
317.22296	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	317.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.4
55.05489	0.7
56.96549	0.3
65.03929	1.1
67.05479	0.7
68.57935	0.2
68.99779	0.6
69.03420	0.5
69.07057	0.5
70.04082	0.2
70.06568	0.9
70.99770	0.3
71.00106	0.3
71.04974	0.3
72.08148	1.2
72.93774	0.3
73.02907	0.3
79.05482	0.8
80.27062	0.2
81.03387	0.3
81.07031	0.9
84.04475	0.7
84.08135	0.6
85.02893	0.3
86.06066	0.2
86.09692	0.6
87.04428	0.2
91.05468	0.9
92.02613	3.1
93.03400	2.9
93.07037	0.5
94.06560	0.3
95.01309	0.3
95.04951	0.6
95.08585	0.3
97.02830	0.3
98.09692	0.2
98.97565	0.3
105.03371	0.2
105.07014	0.6
107.04974	1.5
108.08133	0.4
109.02908	0.3
109.06482	0.2
109.10139	0.6
111.00758	0.3
117.06974	0.3
119.08567	0.4
120.08060	0.2
121.02858	2.4
121.10154	0.2
122.03632	0.4
122.06008	0.3
123.04438	0.5
126.03147	1.5
127.52866	0.2
130.04935	0.2
131.04979	0.2
132.95872	0.2
133.06422	0.3
133.10112	0.5
134.97411	0.3
135.04366	0.2
135.11752	0.2
136.07564	0.5
137.02321	0.6
137.05981	0.7
139.03883	1.6
141.94928	0.2
145.06529	0.5
146.05989	0.3
146.97437	0.3
147.04379	0.2
149.02312	0.3
150.03131	0.3
151.03947	1.4
153.01819	18.3
155.04910	0.5
161.06052	0.2
161.09557	0.2
163.03908	0.5
164.07079	0.4
165.01808	1.5
166.02600	0.5
166.08597	0.3
169.99017	0.2
173.05978	0.7
177.01880	0.3
177.05362	0.5
179.03374	0.4
183.02921	0.5
183.04381	0.3
187.00575	0.4
189.05571	0.3
190.06337	0.2
200.04628	0.6
201.05438	1.7
203.03391	1.6
204.04147	0.4
217.04953	3.0
218.05710	1.7
219.02890	0.6
225.02118	0.3
228.04170	4.0
229.04947	7.1
229.13362	0.7
231.02882	1.0
232.03609	0.3
234.98930	0.6
243.06564	0.4
245.04459	3.8
245.06709	0.2
246.05228	3.3
256.03668	0.6
257.04404	4.5
258.05142	0.2
260.03177	0.7
261.04187	1.8
261.07425	0.4
271.05969	0.4
272.22214	0.3
273.03888	3.8
274.04712	7.8
279.05078	0.3
284.03116	0.9
285.03918	8.9
287.01852	0.4
288.06198	0.4
289.15457	0.6
299.05798	0.3
299.10248	0.4
299.13748	0.3
300.54401	0.3
301.03513	0.5
302.04187	21.7
303.04498	0.3
311.93744	0.3
317.06537	100.0
318.06912	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0652
Annotation	Rhamnetin
Peak:m/z	Relative Intensity
55.01859	0.2
55.05499	0.2
59.36176	0.2
61.46471	0.2
65.03929	0.7
67.01855	0.4
67.05496	0.3
69.48140	0.5
69.48569	0.6
80.02628	0.2
81.03410	0.4
87.02377	0.1
91.05470	0.2
93.03381	0.6
95.04961	1.5
95.99681	0.1
107.04966	0.3
109.02873	0.6
111.04428	0.3
112.12855	0.1
121.02848	1.8
121.06499	0.2
123.00783	0.6
123.04417	5.8
124.01559	1.7
124.05193	0.2
125.02353	1.1
125.05939	0.2
127.03912	0.2
128.06227	0.2
134.03630	0.7
135.04410	0.5
137.02324	5.8
137.03380	0.3
139.03891	0.2
141.05455	0.5
144.05669	0.4
145.02882	0.4
145.06416	0.2
149.02333	0.7
149.05968	0.3
150.03099	0.5
151.03918	1.9
153.05392	0.1
155.04904	0.8
159.08052	0.3
163.03934	1.0
164.04199	0.1
167.03386	8.3
169.06566	0.2
172.05206	0.2
177.05475	0.2
179.03394	3.1
180.04219	0.4
183.04398	0.6
184.05185	0.3
185.04387	0.1
187.03862	0.2
187.07571	0.7
193.05019	0.3
195.06610	0.2
197.04408	1.1
200.04645	1.6
201.05505	0.3
209.04535	0.4
213.05461	0.3
215.07004	3.3
219.02882	0.3
219.06477	0.3
227.03375	0.2
228.04175	2.0
229.04831	0.3
233.08057	0.5
242.05724	0.5
243.06503	7.1
246.05162	0.3
256.03726	0.9
257.04324	0.9
260.06720	0.2
261.07568	1.0
271.05994	3.8
272.06552	0.2
273.03955	1.3
274.04688	8.3
275.05084	0.2
288.06204	1.2
289.07004	0.3
299.05447	1.4
299.72040	0.2
302.04193	4.3
317.06531	100.0
318.06894	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	317.0653
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
52.69748	0.2
56.96568	0.4
65.03940	1.3
68.99793	0.5
69.03449	0.3
69.95930	1.2
70.06573	0.4
72.08146	0.3
72.62469	0.2
74.82781	0.2
76.74014	0.2
81.03381	0.3
83.78142	0.2
85.02947	0.2
86.09733	0.2
91.05487	1.2
91.61736	0.2
92.02621	3.7
93.03399	3.1
93.07023	0.4
95.01328	0.3
95.04985	0.3
97.02876	0.3
98.09666	0.3
98.97591	0.4
107.04934	0.3
107.32381	0.2
116.31839	0.2
121.02860	2.6
124.01551	0.2
126.03143	1.1
128.06186	0.2
129.84920	0.2
136.07564	0.6
137.02327	0.6
138.09200	0.2
139.03889	1.5
145.06410	0.3
146.68556	0.2
150.03149	0.3
151.03868	1.3
153.01811	17.7
163.03938	0.4
164.07013	0.2
165.01846	1.1
166.02612	0.5
166.08606	0.3
170.02119	0.3
173.05959	0.6
177.05504	0.3
179.03311	0.3
183.02893	0.3
183.66203	0.2
187.03828	0.3
194.36290	0.2
200.04651	0.9
201.05450	1.4
203.03349	1.7
204.04227	0.5
210.35475	0.2
217.04933	3.4
218.05716	1.2
219.02934	0.7
228.04140	3.5
229.04932	8.1
229.13254	0.4
230.05412	0.2
231.02879	1.5
239.03246	0.3
243.06535	0.3
244.16702	0.2
245.04436	4.2
246.05228	3.9
254.17514	0.4
255.17740	0.6
256.03632	0.5
257.04419	5.0
258.05026	0.4
260.03217	0.6
261.04233	0.3
261.07529	0.3
273.03900	4.1
274.04678	7.9
284.03156	0.8
285.03915	7.6
286.04654	0.3
287.01614	0.3
288.06143	0.3
290.80554	0.3
299.05624	0.3
299.20334	0.4
301.03418	0.3
302.04172	21.4
303.04184	0.3
317.06528	100.0
318.06927	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37712	0.1
55.01853	0.2
55.05493	0.1
57.03432	0.1
63.95044	0.1
65.03939	0.6
66.01097	0.1
67.01846	0.3
67.05480	0.2
68.99772	0.2
69.03402	0.2
71.42377	0.2
72.08152	0.1
77.03929	0.1
80.02628	0.1
81.03411	0.4
81.07050	0.1
91.05455	0.2
92.85284	0.1
93.03397	0.6
95.01291	0.1
95.04965	1.9
97.60881	0.1
99.04434	0.2
103.95517	0.1
105.03362	0.1
105.06960	0.1
107.01297	0.1
107.04949	0.3
108.02060	0.1
109.02882	0.5
110.03621	0.2
111.04438	0.5
119.04882	0.1
119.08575	0.1
121.02855	1.8
121.06465	0.1
122.03654	0.1
123.00779	0.6
123.04414	5.8
124.01562	1.9
124.05183	0.1
125.02341	1.2
127.03896	0.3
128.06200	0.3
129.06979	0.1
129.19319	0.1
131.04904	0.2
131.08511	0.1
133.02737	0.1
134.03590	0.7
135.04398	0.6
137.02330	5.5
137.03378	0.4
139.03900	0.5
140.04662	0.1
141.05460	0.6
141.06982	0.1
144.05672	0.3
145.02829	0.5
145.06444	0.2
149.02339	0.6
150.03122	0.4
151.03879	2.0
151.05107	0.1
155.04886	0.7
159.08055	0.4
163.03900	1.1
165.05504	0.1
167.03387	8.7
169.06490	0.3
171.04308	0.1
172.05170	0.3
173.05946	0.2
179.03374	3.0
180.04155	0.5
182.03641	0.1
183.04372	0.6
184.05177	0.5
185.04466	0.2
185.05969	0.1
187.03857	0.2
187.07530	1.0
191.03378	0.2
191.06952	0.1
193.04982	0.4
197.04408	1.3
197.06041	0.2
200.04671	1.7
201.05444	0.3
203.03598	0.1
205.08603	0.1
207.02864	0.2
208.03687	0.1
209.04391	0.4
210.03212	0.1
211.03949	0.2
212.04695	0.2
213.05463	0.2
214.06284	0.1
215.06993	3.0
217.05032	0.1
218.05751	0.2
219.02942	0.4
219.06532	0.2
221.04448	0.1
222.60341	0.1
225.05498	0.1
227.06989	0.2
228.04141	2.0
229.04935	0.3
233.08032	0.5
235.06084	0.1
239.03410	0.1
242.05777	0.4
243.06499	7.1
244.07002	0.1
245.04610	0.1
246.05119	0.2
247.05995	0.1
253.04980	0.2
256.03705	1.0
257.04382	1.2
259.06134	0.1
260.06772	0.1
261.07565	1.1
271.03000	0.1
271.06000	3.7
273.03891	1.4
274.04691	7.8
275.04947	0.1
284.03149	0.2
288.06219	1.4
289.06799	0.4
299.05438	1.4
302.04193	4.2
310.31610	0.1
317.06516	100.0
318.06888	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	0.9
55.05514	6.1
56.05036	4.6
57.07081	1.6
60.04526	100.0
63.07273	0.7
65.62978	0.8
67.05502	8.6
68.05030	0.8
69.07070	6.4
71.43994	1.9
72.04503	2.5
72.04890	0.7
74.06073	1.6
79.05488	4.1
81.07047	7.7
82.06581	1.7
83.08615	3.2
86.06043	0.9
90.05560	1.5
91.05457	2.8
93.07040	3.6
95.08601	8.5
97.10173	1.8
103.90171	0.8
106.56267	0.8
107.08598	1.0
109.10140	2.3
119.08599	1.4
121.10131	2.3
131.22321	0.8
135.11668	1.3
202.46080	0.9
250.25237	1.7
262.25189	1.4
280.26364	12.6
298.27441	12.8
316.28464	26.6
317.28574	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.065
Annotation	Rhamnetin
Peak:m/z	Relative Intensity
53.12209	0.2
55.01837	0.2
63.30606	0.2
63.77854	0.2
65.03917	0.5
67.01863	0.3
71.44366	0.3
75.29906	0.2
81.03398	0.5
85.42780	0.2
86.00962	0.2
93.03378	0.6
95.04951	1.7
99.04430	0.3
99.14460	0.2
105.03380	0.3
109.02874	0.6
111.04380	0.4
115.05342	0.2
121.02880	1.9
123.00764	0.6
123.04424	6.6
124.01572	1.8
124.05213	0.2
125.02353	1.1
125.05923	0.2
125.32300	0.2
134.03632	0.7
135.04372	0.5
137.02335	6.1
137.03397	0.5
139.03896	0.4
141.05475	0.4
144.05701	0.3
145.02831	0.4
147.04373	0.2
149.02293	0.7
150.03125	0.5
151.03886	1.8
155.04919	0.7
159.08122	0.3
163.03909	0.9
167.03395	9.0
172.05159	0.3
179.03387	2.7
180.04218	0.5
183.04460	0.6
184.05223	0.4
185.04510	0.3
185.05984	0.3
187.03876	0.2
187.07529	0.8
193.04947	0.3
197.04468	1.1
197.06032	0.3
200.04668	1.6
201.05382	0.5
207.02858	0.3
209.04405	0.5
211.03880	0.3
213.05486	0.3
215.07007	3.0
219.02875	0.4
228.04175	2.0
229.04932	0.4
231.06520	0.3
233.08275	0.3
242.05862	0.5
243.06512	7.6
252.08299	0.2
253.05081	0.4
256.03665	0.6
257.04449	1.0
261.07541	0.8
271.06015	3.3
272.06430	0.2
273.04004	0.9
274.04709	8.8
284.03122	0.4
288.06177	1.1
299.05560	1.2
302.04218	4.6
317.06540	100.0
318.06845	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	316.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79163	0.5
55.05508	1.0
56.05052	0.7
57.03418	0.6
60.08170	1.2
65.33988	0.5
67.05515	1.1
69.07069	0.7
70.06590	2.2
71.04997	0.7
71.59412	1.0
72.08144	1.2
80.05022	1.0
81.07054	2.5
84.08150	0.9
86.06071	0.7
86.09708	1.2
91.05467	5.2
91.80275	0.6
93.07030	12.2
95.04964	1.7
95.08611	2.5
96.08159	0.6
97.06567	0.7
98.06031	0.9
98.09679	1.1
103.05466	5.5
106.12552	0.5
107.04928	2.8
107.08604	1.3
108.08145	0.6
110.09690	1.3
116.10707	0.8
119.04919	0.6
121.06495	91.6
122.06834	1.3
122.09705	1.0
124.11239	0.7
133.10133	0.8
136.11235	2.1
137.02280	0.9
138.02760	0.8
150.12778	2.1
152.14330	34.4
153.14644	0.6
177.05511	0.6
180.10297	0.6
180.13719	0.6
196.17014	2.7
200.10667	2.3
218.11781	3.6
218.15266	0.9
233.02200	0.5
242.15288	1.1
247.20644	0.5
254.21091	1.1
272.20062	100.0
273.20325	4.9
273.22711	0.6
274.21680	0.6
280.22531	0.7
298.23740	8.6
301.06308	0.6
316.05450	6.3
316.08743	1.0
316.22577	97.2
317.06366	3.2
317.22842	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	316.2845
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
55.05510	4.0
56.05027	5.0
57.03438	0.8
57.07075	1.9
60.04526	100.0
61.04851	0.6
65.03939	0.7
67.05507	8.6
68.05030	1.1
69.07074	4.5
70.37871	0.7
71.04793	1.1
72.04518	2.5
74.06079	2.0
76.66470	0.7
79.05506	3.5
80.05026	1.2
81.07056	8.4
82.06568	1.4
83.04984	0.7
83.08654	3.2
85.10203	0.7
86.06079	0.8
88.57612	0.6
90.05541	1.5
91.05512	2.7
93.07030	3.2
94.06588	0.9
95.04948	0.7
95.08609	6.7
97.10172	1.5
99.52035	0.7
107.08617	1.2
108.70984	0.7
109.10172	2.9
111.11727	0.8
119.08595	1.4
121.10155	2.3
122.64855	0.7
123.11727	1.3
133.10139	1.3
149.13351	0.7
179.92595	0.8
191.92296	0.6
250.25284	1.5
262.25372	1.3
263.23810	1.0
268.26300	1.3
280.26389	11.6
281.26593	0.8
298.27426	9.8
316.28452	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	316.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31716	1.6
55.05516	8.5
56.05034	38.5
56.96560	5.0
57.03434	2.2
60.04516	4.8
67.05505	39.3
69.07076	14.0
70.06593	2.9
71.59585	1.9
74.06079	49.8
75.79047	1.5
79.05492	10.8
81.07058	82.2
83.08605	5.6
84.04529	4.0
91.05464	7.4
93.07037	8.5
95.04946	1.8
95.08604	100.0
97.06566	2.1
102.05541	89.0
105.07029	4.7
107.04945	2.1
107.08603	3.7
109.10133	4.2
116.98616	2.1
119.08583	4.0
120.06577	73.3
120.07446	3.7
121.10113	2.9
133.10197	2.2
137.13255	32.8
143.08420	1.6
144.06543	6.9
154.94218	3.5
155.14322	23.8
159.07234	1.9
161.13228	4.0
172.95316	8.2
190.96284	7.1
252.19626	4.0
270.20667	6.2
280.18982	2.1
298.20139	56.7
298.23441	3.9
304.59103	1.6
316.15814	1.8
316.21149	3.2
316.28482	2.9
316.99319	4.8
317.06619	3.0
334.19113	5.4
335.00433	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	1.2
56.05029	2.1
56.96507	0.4
65.03911	0.5
67.05502	6.8
69.03115	0.4
69.03413	3.8
69.07030	1.2
69.28438	4.6
70.06590	6.5
71.04963	0.5
71.26602	0.4
73.23807	0.4
74.55555	0.5
79.05499	2.1
81.07052	11.5
83.04945	0.4
83.08575	1.1
84.04486	0.8
84.08125	0.6
85.02865	0.5
86.06060	16.8
87.04462	14.1
90.04264	0.4
91.05476	4.2
93.07017	1.0
94.06528	0.4
95.04921	0.4
95.08588	0.7
96.08143	2.1
98.06049	33.7
98.97567	0.5
104.07075	0.8
105.07017	2.2
107.04943	0.6
107.08556	1.9
109.10114	1.3
112.07602	1.9
121.02769	0.5
121.10123	0.5
123.04395	1.4
123.11694	2.6
124.06705	0.7
124.07581	12.0
133.09222	0.6
133.10121	6.7
137.02269	1.6
151.11169	12.3
158.11746	0.5
160.95235	0.5
164.07034	0.6
167.03410	2.0
168.13843	9.0
177.00635	0.4
179.03371	0.9
186.14891	2.3
208.16939	1.2
215.07001	0.5
218.15514	0.5
226.06717	1.1
236.16440	17.5
242.58900	0.5
243.06473	1.5
254.17346	0.5
272.18539	100.0
273.18930	1.9
274.04642	1.3
302.04053	0.9
316.05594	0.8
316.17432	0.8
316.21167	24.4
317.06537	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1542
Annotation	O-Methyloduline
Peak:m/z	Relative Intensity
53.03946	0.4
53.34204	0.5
55.01896	0.8
55.05536	1.0
56.05054	0.8
56.96611	0.7
57.03450	0.5
60.04543	0.4
65.03981	0.4
67.05515	2.1
68.05070	1.3
69.03454	0.7
69.07104	1.2
70.06584	2.3
70.96455	0.9
70.96816	0.6
71.05006	0.5
72.08202	1.3
76.34993	0.5
79.05535	1.5
80.05059	0.6
81.03432	0.6
81.07052	3.4
82.06597	0.5
83.05023	0.6
84.04498	6.8
84.08180	1.4
85.02944	1.6
86.06100	1.3
86.09701	6.6
87.04501	1.2
91.05495	2.1
93.07076	1.6
94.06609	1.0
95.06080	0.5
96.04534	1.3
97.06538	0.9
98.06100	1.5
98.97616	0.6
102.05591	1.2
105.07069	1.7
107.04948	9.2
107.05581	0.7
107.08605	0.8
109.10246	0.7
114.05573	1.4
116.98644	0.4
120.08129	0.6
121.02917	0.5
121.06501	11.7
123.11729	0.5
127.03975	0.4
128.10722	0.7
129.10332	0.4
130.05032	1.4
130.06563	0.6
133.10188	1.4
138.05559	0.5
142.04996	0.5
144.06532	2.3
149.09673	1.2
151.11241	1.8
154.05014	0.5
157.13380	1.4
158.11823	1.7
161.09195	2.4
168.06560	0.6
168.08020	0.9
168.13898	1.5
168.44206	0.4
169.08891	1.0
177.12747	0.5
183.06818	0.7
184.07573	1.0
185.12885	0.9
186.14928	1.5
196.07478	2.1
197.08345	26.0
198.09000	1.3
198.12749	0.5
206.15375	0.7
210.11237	4.0
211.06308	4.6
212.07104	1.0
224.07082	0.7
224.16455	0.6
225.07829	38.3
226.08765	2.2
226.12233	19.0
228.13971	0.8
234.14908	3.4
242.24673	0.5
252.15964	3.7
253.11070	0.5
254.11742	71.4
255.12167	3.0
262.14154	0.5
270.12955	0.5
272.12671	0.5
272.16324	0.6
280.15424	1.0
298.19907	2.2
316.15335	100.0
317.06461	1.6
317.15619	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	315.9394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93519	2.4
56.05041	1.7
56.96571	3.0
59.00875	1.6
70.06582	4.3
71.58818	2.5
72.08118	2.5
72.93781	9.6
81.03401	4.3
84.08086	2.4
85.02921	2.4
88.91490	13.7
90.94831	3.1
100.02204	20.0
106.92513	4.4
107.04948	39.5
113.96414	2.3
116.64365	1.7
118.24583	1.9
124.81059	1.7
131.97415	1.9
136.07597	3.8
166.00252	1.6
170.58296	1.8
178.97891	56.6
192.08351	1.9
192.94017	2.5
194.95575	14.0
196.98959	55.3
197.00929	3.3
200.40804	2.2
203.04893	11.0
210.95097	51.9
212.96660	100.0
213.07008	4.1
220.00575	3.7
228.96162	51.2
228.98405	3.6
230.97726	7.1
233.96606	2.2
235.98250	54.4
236.98250	1.8
251.97751	2.0
277.00531	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	316.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36003	1.9
71.57637	3.9
83.72997	1.8
84.08175	2.2
107.98819	2.1
119.01926	31.4
120.02030	4.2
121.01667	4.6
133.86806	2.2
134.99831	3.9
135.62355	2.0
137.02946	17.6
138.03102	4.1
139.02765	2.7
143.27094	2.1
153.01776	2.3
154.78279	2.0
155.01367	4.7
159.86441	1.9
166.35963	2.0
172.10023	2.0
172.33139	2.1
173.09563	4.8
174.09932	2.3
177.00948	42.5
178.01013	14.5
179.00711	13.5
180.00868	3.6
197.00647	3.8
203.02432	2.5
208.95952	2.9
217.04195	3.5
218.03973	2.2
219.02000	56.2
220.02061	15.5
221.01820	19.5
222.01678	2.4
231.99275	2.8
233.96106	2.0
235.00018	2.5
241.69003	2.4
242.03644	3.3
243.02126	7.0
252.94678	8.6
256.96625	14.4
257.96796	5.6
258.96472	8.9
261.03058	100.0
262.03165	17.1
263.02875	10.2
264.03076	7.9
273.94589	2.2
274.06982	3.3
274.94434	2.6
274.97168	10.4
275.97766	5.4
276.04279	2.9
276.97614	4.8
277.00909	4.3
278.01413	2.5
279.00980	4.8
283.00180	3.1
284.00140	3.9
284.04712	7.7
284.99942	3.9
289.95660	3.4
291.95615	2.6
292.03589	2.6
292.08127	3.0
292.97928	3.9
301.01086	11.4
301.46127	2.6
302.01154	9.5
303.00876	11.2
310.46152	13.0
310.96136	27.2
311.46048	12.3
311.95990	3.3
314.95447	2.8
315.95508	2.1
316.07419	24.1
316.95175	5.2
319.46729	9.3
319.96628	17.2
320.46622	8.8
320.96078	2.4
322.47009	7.7
322.97015	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	315.2528
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
53.25163	5.2
55.05515	28.1
56.96558	18.9
57.07072	15.7
60.04514	9.7
67.05504	64.9
67.58289	5.5
69.07062	36.8
69.62595	40.5
71.08624	14.3
74.74844	4.9
77.00890	13.1
79.05489	34.4
81.07052	100.0
83.04971	7.2
83.08620	19.8
85.06540	6.0
91.05491	18.3
93.07046	36.8
95.01926	12.2
95.08606	61.1
97.06551	5.8
97.10138	9.6
98.97549	5.2
103.70065	5.4
105.07020	22.1
107.04973	12.9
107.08594	25.6
109.06504	7.0
109.10145	21.7
111.08073	6.4
116.98627	7.8
119.08563	11.6
121.10155	21.7
123.11701	10.9
129.07002	7.5
131.08565	11.9
134.99638	6.0
135.11647	8.8
137.13235	7.4
141.12755	5.8
141.72424	5.4
145.10130	14.6
149.09648	8.6
159.11687	15.4
165.73042	6.1
177.12766	5.2
181.15855	16.7
185.69733	5.1
261.22263	11.8
279.23135	45.3
315.08133	10.1
315.18057	36.0
315.23181	12.4
324.26981	5.7
333.19016	63.0
334.19458	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	315.2528
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
53.40249	5.8
55.05508	21.0
56.96568	61.7
57.07072	43.6
57.92479	6.2
60.04519	52.7
65.25382	7.1
67.05510	31.7
69.07053	23.2
70.06582	8.5
71.08636	47.6
71.58954	6.3
79.05480	24.9
81.07055	68.1
83.04913	7.1
83.08608	11.5
85.10167	7.0
88.07627	21.1
91.05492	7.3
93.07033	17.5
95.08599	40.0
99.08072	7.7
106.08695	7.3
107.08622	10.0
121.10135	19.4
125.09681	6.7
128.98584	15.3
133.10118	8.2
137.13271	10.9
141.12724	14.1
145.08562	15.8
146.99690	34.0
155.14320	13.8
159.11607	7.8
165.00719	9.3
169.62653	6.4
174.88867	6.1
181.15883	18.8
214.86401	7.4
267.25110	26.6
269.15665	6.4
279.23276	20.1
297.26132	9.8
315.16229	49.7
315.23212	12.5
316.22516	17.6
316.32104	78.8
333.17316	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1225
Annotation	angophorol
Peak:m/z	Relative Intensity
55.01862	2.2
65.03928	2.5
70.06586	1.5
70.78023	0.9
70.83904	2.0
79.05471	0.8
81.03405	1.3
84.08141	1.2
86.09715	1.0
91.05475	2.9
91.97573	0.7
95.04964	2.9
107.04956	34.5
109.06583	0.7
111.04447	3.9
115.05421	1.2
117.07073	1.1
119.04952	1.1
121.02870	100.0
122.03237	0.7
123.04438	8.0
129.07008	0.8
131.04932	6.3
131.08551	6.5
133.06500	1.5
139.59962	0.7
141.06992	2.3
144.05713	7.4
145.06447	2.5
147.04451	1.2
149.06050	1.0
157.06459	1.3
159.08060	30.4
160.08411	0.8
161.05959	1.6
168.05681	0.8
169.07608	1.2
172.88844	0.8
173.06001	2.2
175.07507	4.1
191.07005	10.2
191.08568	1.0
196.57132	0.7
199.07571	0.7
203.06952	1.2
203.08604	1.2
215.08548	0.8
231.08099	2.5
249.09042	4.0
251.10788	1.1
261.09109	2.5
267.10147	17.1
267.12805	1.4
279.10196	3.2
285.11151	1.3
286.82294	0.7
297.11285	2.1
301.60541	0.7
318.25699	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21543	1.0
55.05516	1.1
57.06814	0.9
57.07066	6.8
58.07385	1.6
62.06086	1.8
67.05485	1.5
70.24894	2.5
70.25289	1.7
71.08620	2.6
72.08164	1.7
81.07047	1.8
85.49516	1.0
91.05470	2.8
93.07030	2.1
95.04944	1.2
95.08608	2.2
116.98628	1.2
121.10102	1.2
131.08560	1.6
153.59566	1.1
159.11629	1.1
164.75780	1.0
174.18547	1.2
175.18796	2.2
189.09113	1.1
203.21933	1.8
233.10471	1.3
241.95490	1.0
313.52905	1.0
314.34027	6.1
315.19278	100.0
315.34464	52.8
315.38278	1.8
316.19513	2.0
333.18820	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2319
Annotation	Cannabichromene
Peak:m/z	Relative Intensity
55.01871	1.8
55.05518	14.6
57.07077	11.5
62.58406	1.4
67.05502	7.2
69.07068	66.3
69.23997	1.3
69.69723	9.8
71.08620	4.4
79.05478	9.0
81.07058	11.8
83.08627	14.6
91.05488	6.9
93.07048	18.4
95.04967	1.4
95.08604	14.2
97.02907	3.2
97.10173	2.1
98.21447	2.6
105.07007	8.6
105.55345	1.3
107.08595	15.5
109.10145	4.4
117.07008	4.3
119.08562	7.4
121.06483	2.0
121.10124	7.7
128.06197	1.3
131.08527	6.4
133.06453	3.3
133.10126	4.1
135.11670	2.9
143.08548	6.7
145.06430	2.2
145.10080	8.9
147.08040	2.0
147.11658	4.9
149.06062	1.5
149.13283	12.4
157.10115	5.7
159.11693	3.9
161.05943	2.4
163.07452	1.5
171.08003	3.7
171.11641	3.0
173.09622	2.5
175.07553	2.0
185.13287	3.2
189.09138	2.5
191.10623	3.4
199.11090	2.7
199.14908	4.2
219.21172	1.9
222.96631	1.4
226.17348	1.4
227.14247	2.8
245.15404	2.4
250.59514	1.4
259.16782	1.3
315.23175	100.0
316.23502	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	315.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.01871	18.6
55.05501	0.8
56.96547	1.4
57.03426	0.7
60.95964	0.5
65.20187	0.4
67.05492	1.2
69.07060	0.7
70.06593	4.3
71.58657	0.7
72.08146	1.0
78.32283	0.5
79.05462	1.1
81.03386	0.8
81.07034	0.6
83.04994	0.7
84.08123	3.2
85.02905	0.8
86.09682	2.0
91.05476	6.1
93.07030	4.7
95.04968	3.7
95.08610	0.9
98.97578	0.9
103.05463	17.8
105.04527	0.5
105.07028	1.0
107.04948	11.8
108.05280	1.0
110.07152	1.4
110.58797	0.5
116.98640	0.7
119.04914	1.2
119.08564	0.5
120.08081	1.0
121.02832	1.2
121.06497	11.2
129.10217	0.6
131.04921	40.2
131.08519	0.6
132.05278	1.1
133.06456	0.9
134.99660	0.7
149.05975	100.0
150.06348	1.2
156.13789	0.6
173.05983	0.8
184.07379	0.6
190.05054	0.6
190.29765	0.5
213.04301	0.5
227.11784	0.7
261.09241	0.5
267.10223	1.4
297.11481	0.8
315.09677	0.7
315.13480	0.6
315.17856	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1048
Annotation	S,S,S,-TRIBUTYLPHOSPHOROTRITHIOATE
Peak:m/z	Relative Intensity
55.01670	0.3
57.40438	0.3
68.20528	0.4
70.06573	0.6
70.38396	1.2
72.93785	0.4
74.97061	0.3
89.96405	0.6
97.02915	0.4
101.39843	0.3
102.94942	0.3
107.04961	0.5
110.97609	0.3
114.55209	0.3
116.98613	0.5
134.99603	0.3
151.12044	0.4
153.05302	0.4
161.98486	0.4
162.02197	0.4
184.00618	0.8
185.04129	0.3
196.06668	0.3
202.01546	0.4
205.79681	0.3
226.01593	1.2
244.02756	1.0
274.03717	0.8
285.08221	0.4
286.89606	0.3
292.04858	2.9
315.10464	100.0
316.10880	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40677	0.3
55.01870	5.3
55.05484	0.6
55.48166	0.3
55.93516	2.1
56.94284	1.3
56.96539	1.0
59.04992	0.4
65.03915	0.4
67.05490	1.6
67.49203	0.3
68.99790	1.9
69.03407	0.9
70.06570	0.5
70.95866	3.0
71.92982	0.6
72.93786	7.5
79.05466	1.5
81.03414	4.4
81.07040	2.0
83.04940	0.5
85.02823	0.4
88.96877	1.5
90.94825	4.6
91.05474	2.3
92.68230	0.3
93.07014	1.0
95.04930	1.2
95.08594	0.6
97.06524	0.5
98.20786	0.9
98.97565	0.8
103.05406	0.4
105.07013	1.3
107.04278	0.5
107.04955	7.2
107.08546	0.5
108.05292	2.9
108.95869	2.2
109.02882	1.1
109.10126	0.7
113.96399	0.5
115.05445	0.8
116.96334	0.5
116.98626	0.6
117.06986	0.9
119.04886	0.4
119.08563	0.8
121.02851	1.2
121.06466	0.5
121.10136	0.4
123.00832	0.5
123.04414	0.8
126.98411	1.0
127.03897	0.9
128.96333	2.1
129.06984	0.9
129.75537	0.3
130.97919	1.0
131.04897	1.0
131.08585	0.5
132.95772	0.4
134.97359	1.1
135.04405	0.6
135.08052	0.4
136.95305	0.8
137.02347	18.3
137.03409	2.1
138.02686	0.5
138.98390	1.2
141.01819	11.9
141.06934	0.5
142.97878	0.8
143.08531	0.5
144.95802	1.1
144.99435	1.0
145.06459	0.4
145.10167	0.4
146.97382	2.2
146.98720	0.3
147.04375	0.4
147.08028	0.4
148.98988	2.0
149.02296	1.0
149.05974	0.6
150.96948	0.5
150.98376	0.7
151.03903	0.5
154.97867	1.9
155.03412	0.5
156.99405	1.0
157.06450	0.7
158.97409	1.0
159.00972	0.9
159.07892	0.5
160.98959	0.7
161.05991	0.5
162.96922	2.0
162.98099	0.4
163.03908	3.9
165.00031	1.9
165.01796	4.1
165.97214	0.4
166.97920	2.3
168.99399	1.1
170.97447	0.8
171.04372	0.8
172.98924	1.8
175.00514	0.4
175.07541	0.5
178.97859	1.1
179.01508	0.7
180.99431	1.6
183.01057	1.1
183.02870	5.2
184.98965	2.2
185.05981	1.6
186.01250	1.2
187.00520	1.0
187.03882	1.0
188.98363	0.6
189.03642	1.8
189.05234	0.5
191.01508	0.9
192.99472	1.5
193.03082	0.8
195.01056	0.8
195.02783	0.4
196.98952	1.0
197.02768	0.5
199.00446	0.7
199.02052	2.5
199.03789	0.7
200.98402	0.5
201.02077	1.7
201.03571	0.8
203.07004	0.6
207.01085	1.8
208.99300	0.4
209.02647	0.7
211.00475	0.4
213.02074	0.8
213.05432	1.9
217.03082	0.9
217.05052	1.0
219.01071	0.5
219.04721	0.9
220.99051	0.7
221.02472	0.5
223.04024	0.4
227.03604	1.3
227.11879	0.5
229.07195	0.5
231.06549	1.1
233.02577	0.4
237.05627	1.0
239.03786	0.6
241.04895	3.0
245.02415	0.5
247.04169	0.9
255.11388	0.7
257.04926	0.5
259.06125	2.3
265.05203	19.8
266.05585	0.7
269.04453	0.5
281.04718	0.4
283.06259	72.9
284.06540	3.4
287.05505	2.3
301.07440	1.2
301.11871	1.0
306.07834	7.2
307.08273	0.5
315.04965	100.0
316.05301	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	315.0498
Annotation	Wedelolactone
Peak:m/z	Relative Intensity
53.03941	0.4
55.01627	0.3
55.01869	3.9
55.05511	0.2
56.96573	0.2
57.03424	0.1
65.03936	0.5
67.05486	0.4
67.15468	0.1
68.99785	1.6
69.07054	0.2
70.06587	0.4
71.13564	0.2
71.13886	0.3
72.08124	0.3
79.01843	0.1
79.05505	0.3
81.03403	1.0
81.07044	0.2
86.06091	0.2
88.94281	0.2
91.05463	0.7
93.03381	0.4
95.04961	0.4
99.00803	0.2
103.05467	0.2
105.03375	0.4
105.07058	0.2
107.04921	0.5
109.02870	0.7
113.02353	0.2
115.05440	0.7
117.06974	0.2
121.02861	0.8
123.00803	0.7
123.04428	0.5
127.03886	0.9
129.06978	0.5
131.04927	0.6
133.02904	0.2
135.04373	0.4
137.02336	14.8
137.03404	1.4
139.03859	0.2
141.01811	9.2
141.44304	0.2
143.04951	0.2
144.05725	0.3
145.06514	0.3
147.07973	0.5
148.26831	0.2
149.02333	0.6
149.05984	0.3
151.03885	0.3
157.06477	0.4
159.04411	0.3
160.05226	0.4
161.02351	0.4
161.05965	0.8
162.05495	1.0
163.03896	3.6
165.01817	3.0
167.03383	0.4
167.04938	0.2
169.06493	0.2
171.04410	1.3
175.07518	0.8
183.02866	4.2
183.04478	0.2
185.05934	1.3
187.03912	1.2
187.07523	0.2
188.04662	1.8
189.05438	0.4
191.03288	0.2
193.04987	0.3
199.03883	0.7
203.06989	1.8
213.05466	1.7
215.03351	0.3
216.04164	3.5
217.04916	1.4
219.02844	0.2
227.03415	0.3
231.06508	8.0
231.08824	0.4
241.04962	2.7
244.03664	1.2
245.04366	0.5
246.40405	0.2
259.05994	9.3
269.04465	0.9
272.03159	1.3
284.92053	0.2
287.05475	9.8
297.03857	0.2
297.12195	0.3
297.18835	0.3
300.02594	0.5
315.04938	100.0
316.05273	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	315.0498
Annotation	Gomphrenol
Peak:m/z	Relative Intensity
55.01859	0.8
56.81382	0.5
57.96855	0.6
65.03934	0.7
69.03410	0.7
69.47707	0.6
69.78171	4.1
70.99218	0.7
71.16331	0.6
80.00684	0.6
81.03362	0.8
82.35290	0.6
84.16058	0.6
89.72042	0.6
91.05471	1.8
93.03411	0.8
94.06685	0.7
98.21437	1.4
102.86543	0.6
105.03370	1.1
107.04920	1.1
107.08560	0.7
111.04459	0.7
115.05426	3.4
117.07040	1.1
121.02864	1.2
121.06414	0.7
123.00796	2.0
131.04854	0.7
132.05678	1.1
134.06024	0.8
144.05716	1.7
144.65753	0.7
147.07999	2.3
160.05177	1.7
161.02341	2.2
161.05937	4.6
167.03401	3.1
171.04381	5.9
175.07524	4.5
184.03838	0.6
185.06006	1.1
188.04655	12.6
193.04991	0.8
199.03877	1.4
199.12227	2.0
200.04665	1.5
203.07021	9.6
211.08733	0.9
212.09453	1.5
213.05531	1.2
216.04173	21.4
217.04851	3.3
227.03325	0.8
227.11806	6.2
231.06514	46.0
232.06895	1.2
244.03645	8.0
245.04405	2.3
253.13205	0.9
255.11337	4.4
259.06003	50.1
260.06403	1.2
269.04492	1.1
269.12830	2.4
272.03174	6.9
287.05481	50.6
287.13803	3.8
288.05817	1.5
297.12265	2.0
300.02664	1.5
315.04950	100.0
315.12830	2.1
316.05386	4.0
317.06464	1.2
335.15509	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0499
Annotation	Gomphrenol
Peak:m/z	Relative Intensity
53.03940	0.6
55.01853	0.6
55.05492	0.7
56.96550	0.7
57.03423	0.4
63.79503	0.3
65.03934	0.8
66.04712	0.6
67.05486	1.0
68.99791	0.4
69.03413	0.9
69.07051	0.7
70.04043	0.6
70.06599	0.7
71.04967	0.7
71.59953	0.5
72.08149	0.4
72.93786	0.6
79.01864	0.4
79.05477	0.8
81.03395	1.2
81.07039	1.0
85.02910	0.3
88.62498	0.3
90.94829	0.4
91.05476	2.2
93.03382	0.8
93.07024	0.8
95.04966	0.7
95.08584	0.9
97.02881	3.3
99.04440	0.4
105.03368	1.1
105.07005	0.9
107.04932	1.9
107.08609	0.5
109.02840	0.8
109.10146	0.6
111.04414	0.5
115.05431	3.3
116.98606	0.6
117.07014	1.0
119.01241	0.3
119.08557	0.8
121.02863	0.9
121.06456	0.6
121.10184	0.5
123.00790	1.4
125.02377	0.5
129.06897	0.8
131.04886	0.7
131.08556	0.4
132.05679	0.7
135.08031	0.7
137.02327	1.5
137.05998	0.6
141.01860	0.5
143.04874	1.0
144.05682	1.4
145.03485	0.3
145.06483	0.7
146.03662	0.4
147.04369	0.4
147.08037	1.8
157.06491	0.7
158.97691	0.3
159.07867	0.4
160.05162	2.3
161.02332	1.3
161.05974	3.4
162.05534	0.8
165.07002	0.6
167.03358	2.7
170.03682	0.4
171.04391	6.3
174.03226	0.7
175.07545	4.4
185.05948	0.9
187.07507	0.4
188.04674	11.0
189.05394	0.4
193.04962	1.1
198.03036	0.5
199.03903	2.0
200.04681	0.6
202.02579	0.9
203.03450	0.5
203.05257	0.6
203.07033	9.7
213.05400	0.9
215.03345	0.6
216.04169	19.4
217.04948	2.3
217.12582	0.4
221.05083	0.8
227.03424	0.8
227.11790	0.6
230.05688	0.4
231.06514	40.7
232.06918	0.9
241.04942	0.9
243.06694	1.7
244.03665	7.5
245.04457	2.0
255.11269	1.0
259.06009	44.1
260.06299	0.8
262.89587	0.5
269.04535	2.2
271.02417	0.4
272.03137	6.7
283.06342	0.3
283.09509	0.6
287.05490	48.5
288.05884	1.2
297.12210	0.8
300.02597	2.3
315.04959	100.0
316.05453	4.1
317.06619	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2688
Annotation	(+)-Prosopinine
Peak:m/z	Relative Intensity
50.05086	0.3
55.01871	0.5
55.05514	3.7
56.05032	2.0
56.96570	0.9
57.03451	0.9
57.07077	1.5
58.02966	0.4
60.04528	100.0
61.04865	0.4
65.03970	0.5
67.05509	9.9
68.05051	0.5
69.07073	4.4
70.06602	1.1
70.94717	0.8
71.05005	0.5
71.08639	0.6
72.04524	3.3
72.08183	0.6
73.55206	0.3
74.06081	1.1
77.29414	0.3
79.05500	5.8
80.05025	1.4
81.07066	8.0
82.06585	0.7
83.04984	0.7
83.08614	2.3
84.08157	0.7
86.06091	0.6
90.05574	1.2
91.05483	4.9
93.07045	5.9
94.06602	0.8
95.04977	1.1
95.08620	6.6
96.08162	0.3
97.06521	0.5
97.10191	1.5
98.06100	0.4
98.97606	0.4
105.07013	2.4
106.06650	0.4
107.04978	1.1
107.08617	2.2
108.08096	0.4
109.06538	1.0
109.10145	2.3
110.06052	0.8
112.07628	0.7
115.05483	0.3
116.07092	0.8
117.07053	1.2
119.08578	1.7
121.10148	3.0
123.08083	0.4
123.11716	1.5
124.07623	0.4
131.08549	1.7
133.10143	0.9
133.19850	0.3
134.09688	0.5
135.08066	0.5
135.11725	1.6
137.13249	0.7
140.12396	0.3
142.08669	0.6
143.55937	0.3
145.10153	1.1
149.13251	0.5
158.11598	0.3
159.07986	0.4
170.91969	0.3
192.74532	0.4
207.30576	0.4
231.21140	1.0
243.21141	0.6
248.23808	0.6
256.10501	0.4
260.23853	1.0
261.22162	0.7
266.24496	0.4
278.24814	4.8
291.12613	1.1
296.25845	6.0
309.13708	0.8
314.14224	0.5
314.26904	24.8
315.23337	0.5
315.27075	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1961
Annotation	Heleurine N-oxide
Peak:m/z	Relative Intensity
55.01864	1.2
55.05519	1.9
56.05029	0.7
56.96560	2.3
57.03440	1.0
67.05501	3.7
68.05029	2.7
69.03426	1.5
69.05805	4.5
69.07058	1.3
70.04057	1.3
70.06589	35.5
71.04993	5.4
71.50027	0.4
71.59779	0.5
79.05485	2.8
80.05032	0.8
81.03401	1.8
81.07054	4.4
82.06557	1.5
83.04972	1.1
83.07352	1.7
83.08607	1.1
84.04490	1.1
84.08137	2.3
84.96035	0.7
85.02890	0.9
86.06068	5.6
86.09677	1.2
87.04465	2.6
87.20174	0.4
88.03994	0.7
91.05470	2.7
93.07034	2.7
94.06554	0.6
95.04964	2.3
95.08611	1.7
96.08121	6.3
97.06503	1.3
97.08891	3.8
98.06052	5.3
98.09682	0.7
98.97568	1.9
99.04449	0.4
102.05544	0.7
105.07026	1.8
106.06569	0.4
106.07350	0.4
107.04957	4.5
107.08584	1.8
108.05244	0.6
109.06503	1.5
109.10177	0.9
110.06074	0.5
110.07130	0.4
111.04420	1.1
111.08093	0.6
112.07594	0.9
115.05338	0.4
116.98598	2.6
117.07041	0.6
119.08585	1.5
119.56977	0.4
120.08099	1.6
121.06520	0.8
121.10136	1.3
123.02979	0.4
123.08026	0.5
124.07565	1.2
126.09154	0.9
129.06947	0.4
131.08548	0.9
133.10187	0.6
134.06021	0.5
134.99658	2.2
135.11681	1.2
135.69016	0.4
136.07591	0.7
137.02344	0.8
137.05974	1.0
140.07057	0.5
142.08661	2.8
145.10136	1.2
146.99603	0.6
147.11685	1.4
149.09612	1.0
153.00706	0.5
153.12656	0.6
154.08589	0.5
157.10152	0.6
161.01259	0.7
161.06047	0.6
163.11163	1.2
164.06996	0.5
165.12840	0.4
166.08679	0.8
175.11179	0.6
181.12247	0.5
184.09952	0.6
191.01825	0.4
193.12286	2.0
193.13806	0.4
199.12280	0.9
210.14964	0.6
211.13284	0.6
212.09439	0.7
219.08051	0.5
226.18074	1.5
227.11717	3.9
231.08162	0.7
232.16887	0.4
236.16493	3.3
237.02809	1.1
237.14862	1.4
241.09586	0.5
250.18106	0.7
254.17494	35.6
255.11266	3.6
260.16418	1.4
262.89429	0.8
265.08746	0.6
268.19095	3.7
269.12836	1.7
278.17520	4.0
287.13907	1.5
290.94550	1.2
291.10120	0.8
296.18604	5.7
297.12360	2.5
300.97040	0.4
311.12753	0.6
314.19614	100.0
314.22833	4.2
315.04926	3.3
315.13428	2.3
315.19824	1.9
323.12735	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.0
53.74051	0.7
55.01873	4.2
55.05508	12.7
56.05035	7.9
57.03417	3.0
58.06579	1.6
67.05169	1.3
67.05502	18.9
68.05017	2.7
69.03425	13.4
69.07058	6.5
70.06598	5.9
70.95035	1.8
71.04985	6.9
72.04504	1.5
74.06076	0.9
79.05487	21.3
80.04998	3.7
81.03414	10.3
81.06573	1.5
81.07051	29.4
82.06595	3.9
83.04974	8.4
83.08613	8.2
84.04034	1.1
84.04503	17.2
84.08136	4.2
85.02888	3.5
85.06547	1.9
86.06064	55.2
87.04465	48.7
91.05480	12.3
93.07040	17.8
94.06564	3.2
95.04966	4.8
95.08601	16.2
96.04457	1.4
96.08123	7.3
97.06524	12.8
97.10154	3.3
98.06062	10.5
99.08022	1.0
100.36544	0.7
102.05535	7.6
102.53753	0.7
103.05456	1.0
104.07093	8.7
105.04534	0.8
105.07025	9.8
107.04937	1.3
107.08056	0.8
107.08600	8.0
108.08100	2.2
109.06525	1.5
109.10148	2.1
110.06051	2.6
110.09673	1.7
111.08045	3.0
112.07603	18.2
114.05542	1.7
117.07001	2.6
119.08555	7.4
120.08069	1.2
121.06512	1.3
121.10144	6.4
122.05999	1.2
123.08040	1.7
123.11724	0.9
124.07589	8.2
125.09617	2.6
126.05523	1.1
126.09142	1.8
128.07147	1.0
129.06995	1.9
131.08589	6.5
133.10117	3.6
135.11728	2.5
137.13199	0.8
138.05531	1.3
138.09090	2.0
138.12735	1.2
140.07059	2.9
142.08606	5.6
147.11678	6.0
148.07552	1.8
149.09613	24.8
149.13225	2.2
152.07057	0.9
157.10124	2.4
158.08125	6.6
159.11679	2.3
165.12726	3.4
166.12286	2.2
167.10612	1.5
175.11156	5.0
177.12759	2.8
182.15372	4.7
184.13330	3.0
192.13805	1.7
193.12238	12.5
194.15402	2.5
195.13837	6.0
200.16307	1.1
201.98056	0.9
210.14870	14.6
211.13301	16.0
212.16486	4.8
213.14832	3.2
222.18727	0.9
228.12270	1.3
228.15909	4.3
230.17471	1.7
242.15158	0.9
250.14265	1.3
250.18062	4.2
260.16483	4.3
268.15308	0.8
268.19083	3.0
270.16998	17.8
278.17514	11.0
286.19958	1.3
296.18579	7.3
314.19592	100.0
315.19995	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	314.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.01868	5.2
55.05503	0.5
55.48856	0.3
55.93518	0.7
56.96574	0.6
57.03426	0.6
65.03952	0.6
67.05502	0.6
68.99781	2.3
69.03425	1.3
69.07069	0.4
69.47080	1.8
69.47504	1.2
70.04069	1.3
70.06577	1.1
70.95874	0.7
71.04987	0.9
72.93777	1.9
73.02905	0.4
74.06087	0.4
79.05488	1.4
81.03419	2.3
81.07043	1.2
83.04965	0.4
85.02901	1.5
86.09713	0.3
87.04452	0.5
88.41240	0.3
90.94818	0.9
91.05498	1.7
93.07056	1.3
94.06557	0.5
95.04987	1.7
95.08601	0.6
97.02874	0.9
98.97584	1.5
99.00811	0.4
99.04484	0.4
102.05545	1.1
103.05469	0.4
105.07035	0.6
106.32681	0.4
107.04948	55.4
107.08601	0.7
108.95833	0.5
109.02868	1.3
110.03670	0.7
112.77657	0.4
116.98612	1.5
119.04913	0.4
119.08585	0.8
120.08092	1.3
121.02882	0.7
121.06528	0.4
123.04453	0.6
127.03906	1.5
128.96333	0.5
129.06989	0.7
130.97841	0.4
131.04921	0.7
134.99652	1.5
135.04385	0.5
136.11235	1.3
137.02339	17.5
137.03407	1.9
137.09552	0.4
138.98418	0.4
141.01817	10.8
145.06502	0.5
149.02361	0.6
149.05969	0.5
151.03906	0.5
157.06427	0.7
158.97565	0.7
159.04352	0.4
160.97267	0.5
161.05986	0.6
162.09106	0.5
162.96863	0.6
163.03905	4.1
164.14285	1.6
165.00139	0.4
165.00400	0.6
165.01807	4.5
166.97833	0.6
171.04398	0.5
172.99013	0.5
173.02637	0.8
173.06116	0.4
178.02008	0.6
180.53835	0.4
180.99591	0.5
183.02879	5.8
185.05954	1.1
187.02368	0.8
187.03932	1.1
189.03668	0.7
191.03419	0.5
196.02933	3.0
196.53026	0.6
197.03004	0.6
201.02074	0.4
207.01013	0.6
208.09731	1.1
208.13283	4.0
213.05487	1.4
213.15498	0.3
214.02870	0.4
217.05005	1.3
227.03447	0.4
230.02596	0.4
230.05223	0.5
231.06487	0.9
241.05019	3.3
250.04022	0.7
258.04889	1.3
259.05948	1.8
262.89429	0.6
264.05484	0.8
265.05252	3.9
269.04498	0.5
282.06720	3.9
283.06250	15.9
286.04260	2.3
287.05457	1.6
290.94757	1.1
306.07846	1.4
314.03793	4.0
314.14081	0.9
314.20099	0.6
314.23376	0.4
315.04959	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26248	0.3
55.01855	0.3
55.05513	0.5
56.05032	1.1
57.03416	0.5
58.06598	0.4
60.04511	0.6
60.05651	0.5
61.01151	1.6
68.05025	0.4
69.03431	2.8
69.07072	0.4
70.06593	12.0
71.04974	0.6
71.05593	0.7
72.08152	2.6
74.06063	0.5
75.02699	0.4
79.39819	0.3
79.72927	0.3
81.03403	0.4
81.07055	0.4
83.06097	0.8
83.67919	0.3
84.04507	4.8
84.08138	5.2
85.02915	1.3
85.03974	0.4
85.08498	0.4
86.06069	0.4
86.09704	2.1
86.99034	0.5
87.02660	0.4
90.05547	0.5
93.04528	0.3
95.06090	2.1
96.04452	0.4
97.02890	49.4
99.04450	0.6
107.04951	1.2
108.08056	0.4
109.02864	0.3
110.07161	3.0
111.04397	0.4
111.05613	0.3
112.08715	1.1
112.11226	0.3
116.07078	1.1
116.98655	0.5
117.05466	0.3
119.03551	1.0
127.03932	0.4
129.10240	2.1
130.04987	1.2
135.05452	0.7
136.06184	100.0
137.04553	1.2
137.05772	0.4
142.64360	0.4
143.01581	2.5
143.40138	0.4
145.04947	0.4
148.06157	0.9
152.05695	0.5
152.06990	0.6
152.10690	0.4
156.07668	0.8
161.01425	0.3
161.02669	1.7
164.05684	6.4
171.11243	0.8
172.03926	0.3
176.05742	0.7
178.07249	3.3
179.03674	1.8
185.36639	0.3
199.10712	0.8
211.14433	1.7
213.12256	0.5
221.48535	0.3
231.04349	0.6
248.07805	1.0
250.09430	0.6
270.21722	0.8
278.07089	0.9
296.08124	3.4
313.27328	0.4
314.09122	5.4
314.12375	0.4
314.16797	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54150	0.6
55.05301	0.5
55.05515	5.3
57.03437	11.3
57.07077	49.0
58.07373	0.7
62.90200	0.5
67.05170	0.9
67.05505	10.9
69.07064	8.2
70.10679	2.8
71.04994	0.6
71.08630	33.0
75.04461	0.7
79.05486	1.0
81.07058	14.7
83.08618	8.4
85.06507	0.8
85.10182	17.4
89.06020	1.9
92.07967	0.5
93.07064	1.2
95.08611	16.7
96.09035	0.6
97.10172	5.5
99.11687	0.8
100.45309	0.5
103.07579	1.5
107.04935	0.8
109.10154	7.5
111.11726	1.0
121.10130	0.8
123.11713	2.9
137.13240	1.6
151.14827	0.6
239.23752	2.3
257.24738	3.0
313.27362	100.0
314.17529	0.7
314.27652	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	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14440	0.6
55.05510	5.8
57.03436	16.8
57.07074	60.0
58.64556	0.7
67.05502	11.6
69.07070	9.0
69.92001	0.7
71.04985	0.7
71.08630	36.1
71.19923	1.1
71.20227	0.7
81.07059	14.1
83.08137	1.1
83.08615	11.4
85.09660	1.2
85.10178	19.6
89.06020	2.6
95.08608	21.0
97.10159	5.3
99.11713	0.9
103.07570	1.6
109.10163	9.2
111.11707	1.1
123.11712	4.8
125.13261	1.4
137.13245	1.1
152.94971	0.7
162.30103	0.6
165.16443	0.6
177.22183	0.7
222.94002	0.6
232.43854	0.6
239.23749	3.0
257.24799	4.3
260.05786	0.8
313.27356	100.0
314.27652	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	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	1.0
55.05511	8.2
57.03440	20.2
57.07076	69.7
67.05502	13.5
68.81210	0.8
69.07061	10.8
69.90824	4.4
69.91106	1.5
71.04976	0.9
71.08632	42.0
75.04507	0.8
79.05471	1.4
81.07059	14.4
83.08623	14.3
85.10182	22.6
89.06036	4.3
95.08609	24.3
97.10169	7.1
99.11751	1.5
103.07561	2.6
109.10169	10.5
111.11753	1.9
123.11704	6.1
137.13239	1.4
143.70473	0.8
165.16190	0.7
188.84148	0.8
239.23714	4.7
257.24811	5.8
313.27368	100.0
314.27676	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	10.3
57.03158	1.6
57.03440	28.0
57.07076	85.6
62.36677	0.8
67.05501	16.4
69.06719	1.4
69.07068	15.5
71.08633	47.4
71.43626	2.0
78.36987	0.7
79.05489	1.2
81.07059	21.7
83.08616	17.4
85.06536	1.0
85.10179	27.9
89.06004	4.2
93.07019	1.4
95.08609	32.7
97.10173	9.0
99.11761	1.6
103.07590	3.1
107.08616	1.0
109.10157	13.0
111.11698	1.6
115.15562	1.0
123.11696	7.4
137.13234	1.8
139.31076	0.9
151.14856	1.4
163.44258	0.8
165.16504	1.2
236.84172	1.0
239.23642	5.3
257.24692	8.5
313.27365	100.0
314.27631	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	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00334	0.5
55.05514	4.9
57.03442	8.5
57.07079	47.5
67.05170	0.7
67.05508	8.8
69.07070	6.8
69.26146	0.3
69.83006	1.9
71.05009	0.5
71.08636	28.2
72.08976	0.4
79.05505	0.8
81.07063	11.4
82.35154	0.3
83.08625	7.9
85.06591	0.4
85.10186	16.5
89.06046	1.2
93.07048	0.9
95.08608	15.6
97.10172	3.8
99.11744	0.8
103.07590	0.9
107.08621	0.4
109.10169	6.1
111.11733	1.0
114.73388	0.3
121.10164	0.5
123.11689	2.8
125.13233	0.4
137.13286	1.2
147.56337	0.4
221.22559	0.5
231.44612	0.3
239.23734	2.6
257.24667	1.7
313.27374	100.0
314.27713	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	10.5
57.03196	1.6
57.03440	22.1
57.07078	68.2
57.29496	1.1
67.05506	15.4
69.07069	11.1
70.41445	2.6
70.41832	3.1
70.82916	1.2
71.08633	40.1
81.07060	18.8
81.56524	1.4
83.08624	16.4
85.10181	26.4
89.06039	3.3
93.07051	1.9
95.08607	26.8
97.06496	1.6
97.10168	6.8
99.11710	1.7
103.07536	2.6
107.04961	1.4
109.10162	11.1
111.11707	2.4
116.24709	1.0
123.11700	6.1
125.13271	1.2
137.13264	1.6
151.14749	1.3
239.23697	3.9
257.24817	4.8
313.27356	100.0
314.27563	4.7
314.33749	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85824	0.6
55.05304	0.8
55.05507	9.2
57.03436	24.0
57.07072	72.5
61.89141	0.8
65.03246	0.7
67.05509	13.5
69.06722	1.0
69.07061	12.7
71.04978	0.7
71.08626	41.1
71.43386	0.9
71.43705	0.9
79.05486	1.9
81.07049	15.0
83.04997	0.9
83.08614	12.0
85.10174	20.8
86.06036	0.8
89.06020	3.4
91.05488	1.1
93.07020	1.8
95.08601	22.8
97.10175	7.8
99.11727	1.5
103.07578	2.1
105.13106	0.8
109.10149	10.5
111.11708	1.9
117.09196	1.1
122.87255	0.9
123.11729	6.3
126.31946	0.7
135.11884	0.8
137.10541	0.8
137.13182	1.9
151.14857	0.7
167.09009	0.8
222.43379	0.9
239.23643	3.9
257.24823	5.0
275.89520	0.8
282.81570	0.7
302.84729	0.9
313.27344	100.0
314.27597	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	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72215	0.9
55.05515	10.8
57.03440	25.6
57.07077	78.1
58.07418	1.3
59.05007	1.0
67.05502	14.9
69.07069	13.8
69.38264	1.5
69.38667	7.7
71.04989	1.1
71.08631	51.7
71.74303	0.9
79.05488	1.6
81.07059	21.0
83.08620	16.1
85.09663	1.4
85.10184	26.4
89.06027	4.0
95.08611	29.3
95.65503	1.0
97.10183	8.1
98.21573	1.8
99.11734	1.4
103.07574	3.3
109.10157	14.4
111.11694	2.2
118.27611	0.8
123.11696	5.5
125.13284	1.2
136.21271	1.0
137.13239	2.2
190.96542	1.0
239.23734	3.4
257.24734	9.3
286.25995	1.1
313.27368	100.0
314.27710	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	313.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03001	0.9
51.78695	0.7
55.05507	8.1
57.03437	21.9
57.03712	0.7
57.07072	64.8
67.05504	12.5
69.07071	11.1
71.08626	40.3
73.93756	0.8
75.04476	1.0
77.11646	0.8
79.05490	1.3
81.07055	19.2
83.08614	14.2
85.10177	21.1
89.06012	3.7
92.10977	0.8
93.07027	1.3
95.08595	25.6
97.10163	7.1
98.20711	1.8
99.11713	1.3
103.07568	3.2
107.08537	1.1
109.10149	11.4
111.11723	2.6
117.09119	1.0
123.11683	4.2
125.13261	1.2
130.36635	0.9
137.13264	1.8
139.11143	0.8
216.74959	0.8
239.23576	4.9
257.24741	7.3
296.38638	0.9
313.27344	100.0
314.27744	2.3
314.33615	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	10.1
57.03158	1.5
57.03439	28.4
57.07077	80.0
59.21943	1.0
67.05505	15.3
67.62275	1.2
69.07069	10.6
69.59834	8.1
71.08633	48.7
77.61018	1.3
79.05514	1.3
81.07063	19.7
82.16410	1.1
83.08618	22.0
85.10185	28.7
89.06033	4.1
95.08612	30.4
97.10188	5.7
103.07594	2.9
109.10158	12.9
111.08072	1.4
111.11690	1.8
123.11731	4.0
135.11722	1.5
137.13278	2.3
181.12820	1.1
239.23660	5.6
257.24686	6.0
313.27368	100.0
314.27789	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	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74935	0.9
55.05313	0.9
55.05509	10.9
56.27665	1.2
57.03439	24.3
57.07076	79.2
57.18853	0.9
58.07430	1.1
67.05504	14.4
69.07072	13.3
69.65942	2.5
69.66348	5.6
71.04997	1.4
71.08632	52.8
74.68890	1.1
75.04467	1.2
79.05470	1.1
81.07053	18.4
83.04950	0.9
83.08620	14.5
85.10184	25.7
85.11880	1.0
89.06036	5.3
93.07040	1.7
95.08606	26.9
97.10191	7.1
98.21528	1.0
99.11722	1.4
103.07588	2.2
109.10152	13.1
111.11712	2.3
117.09126	1.6
123.11726	5.8
137.13228	2.1
201.12621	1.2
239.23685	4.9
257.24689	6.1
313.16217	2.3
313.27365	100.0
314.27679	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	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05315	0.9
55.05510	10.0
55.94367	1.0
57.03440	24.7
57.07076	81.7
67.05170	1.4
67.05502	14.1
69.07066	11.5
70.68017	3.3
71.08235	2.5
71.08630	46.2
75.04472	1.6
79.05474	1.4
81.06586	1.3
81.07058	18.7
83.08617	15.9
85.09663	1.5
85.10181	29.2
89.06013	3.9
93.07072	1.4
95.08612	29.0
97.10166	8.7
99.11720	1.8
101.05994	1.3
103.07583	2.9
107.08574	1.2
109.10152	13.4
111.11707	2.5
118.79372	1.0
123.11694	7.4
137.13223	2.0
151.14859	0.9
239.23683	4.2
257.24844	6.8
273.73502	1.0
275.26035	1.4
313.27365	100.0
314.27719	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2369
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
55.01862	23.4
55.05513	42.1
56.96561	15.7
57.03426	15.7
57.07071	50.3
57.75488	6.7
67.05502	93.5
69.07066	38.0
71.04984	29.0
71.08622	60.0
71.59709	9.9
78.93195	6.1
79.05486	43.9
81.03387	6.1
81.07055	77.4
83.04990	17.4
83.08610	42.5
85.06546	11.9
85.10171	10.7
91.05473	42.8
93.07046	66.2
95.04970	16.1
95.08601	61.2
97.06517	26.2
97.10162	37.7
98.97595	25.9
99.08097	33.7
101.51412	7.0
105.07008	37.9
107.04939	7.5
107.08586	53.6
109.10131	51.4
111.08073	8.7
113.09635	8.8
116.98658	31.1
117.06921	6.1
118.12904	6.3
119.08579	33.2
121.06508	17.5
121.10148	25.9
123.11681	7.2
125.09637	31.1
127.11154	13.9
131.08517	17.5
133.10106	24.3
134.99643	41.3
135.08049	7.8
135.11681	23.5
135.26410	6.2
141.12717	64.6
143.08574	9.6
145.10126	19.7
146.97545	7.1
147.11674	14.7
149.13257	7.6
150.52815	6.6
151.11241	13.7
153.12674	11.6
157.10146	8.9
159.07855	7.1
159.11658	9.8
161.13219	10.3
163.11151	12.0
165.12711	9.2
169.12233	20.2
171.11632	11.7
173.13286	11.9
175.14795	13.0
185.13268	6.9
189.11238	31.1
225.51372	7.2
259.20496	10.2
277.21625	96.8
290.94717	31.1
295.22644	100.0
308.95880	6.5
313.21570	20.1
313.27637	10.8
331.08490	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	313.2372
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
55.01860	18.1
55.05267	4.5
55.05511	59.1
57.03429	18.2
57.07062	15.3
57.28556	4.0
59.04994	4.5
67.05505	78.5
69.07060	25.6
69.79669	21.2
71.05002	29.9
71.08631	50.6
79.05495	31.1
81.03410	5.6
81.07059	57.0
83.04972	27.6
83.08617	29.1
85.06541	7.2
91.05480	20.6
93.07034	42.5
95.04961	11.0
95.08611	39.4
97.06529	18.6
97.10178	41.3
98.20773	4.0
99.08096	46.7
105.07050	18.8
107.04889	4.3
107.08586	38.7
109.10148	43.5
111.08051	7.0
117.06990	8.4
117.94988	3.6
118.17493	3.8
119.08566	11.5
121.10114	19.3
123.11683	6.4
125.09651	29.0
127.11195	19.5
131.08592	5.9
133.10123	17.0
135.11684	25.4
137.09610	4.6
141.12738	89.4
143.08569	4.3
145.10098	12.7
149.13199	7.6
151.11169	7.9
152.46481	4.0
153.09213	4.8
153.12750	14.8
161.13275	6.6
163.11176	15.4
163.14886	4.6
165.12775	8.5
169.12230	30.9
173.13200	5.1
179.14331	10.5
181.12218	5.5
189.11205	35.8
192.09227	3.9
193.12303	4.4
201.12729	10.2
236.74156	3.9
241.16930	4.2
241.19481	9.3
259.20648	12.3
270.15527	4.2
271.08624	4.5
276.17200	3.9
277.21603	87.6
295.22668	100.0
313.21283	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	313.237
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
55.01855	2.1
55.05508	10.9
57.03435	2.9
57.52009	1.3
64.35886	1.4
67.05165	2.2
67.05499	28.3
67.71404	1.3
69.07061	20.6
69.07412	2.4
70.04074	4.0
70.56506	4.6
71.04984	4.5
76.13033	1.6
79.05486	10.7
81.07050	19.4
83.04957	2.5
83.08609	8.5
87.79390	1.4
89.64500	1.5
91.05464	9.5
93.07027	17.9
95.04990	2.9
95.08600	100.0
96.08931	2.6
97.06508	4.0
97.10141	1.8
98.97598	3.4
99.08087	2.9
102.56736	1.5
105.07012	5.8
107.08566	8.7
109.06474	2.3
109.10124	7.5
111.08096	3.6
113.09633	41.6
116.98633	3.2
117.07010	2.0
119.08582	4.2
121.10124	10.2
123.08052	1.7
125.09606	2.4
129.07030	1.7
129.09138	2.6
131.08585	2.0
133.10106	4.7
134.99640	3.2
135.11681	4.5
139.11211	3.7
141.56091	1.4
143.08508	2.3
145.10167	2.6
147.11671	4.9
149.09563	2.2
149.13303	3.4
159.11693	2.2
161.13191	1.9
189.90218	1.7
203.12640	2.7
259.20575	3.6
277.21552	16.0
290.94766	3.1
295.22583	3.4
313.21426	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2372
Annotation	7S,8S-Dihydroxylinoleic acid
Peak:m/z	Relative Intensity
50.56178	12.6
54.32036	13.5
54.37056	12.9
55.01868	24.8
55.05505	63.7
57.03433	26.7
57.07082	21.6
60.04548	12.4
67.05500	91.2
68.74779	12.8
69.07062	60.2
71.04974	12.3
71.08610	30.4
71.58888	15.7
79.05502	58.7
81.03426	16.6
81.07044	100.0
83.04966	16.3
83.08622	46.5
85.02927	18.8
91.05476	58.9
93.07043	52.3
95.04974	18.5
95.08593	62.6
97.06501	14.1
97.10180	17.3
105.07030	39.4
107.04962	41.4
107.08611	40.3
109.10192	34.2
116.01707	16.6
117.07014	31.6
119.08597	36.7
120.08138	15.9
121.06494	14.5
121.10158	65.1
123.08060	18.4
123.11749	20.5
125.09623	17.4
135.11678	20.3
147.11650	23.8
151.11131	22.0
159.11673	16.4
171.11650	14.5
173.11862	18.8
185.13333	39.6
221.96542	15.5
225.16438	14.9
277.21716	52.6
295.22662	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	23.4
55.05513	42.1
56.96561	15.7
57.03426	15.7
57.07071	50.3
57.75488	6.7
67.05502	93.5
69.07066	38.0
71.04984	29.0
71.08622	60.0
71.59709	9.9
78.93195	6.1
79.05486	43.9
81.03387	6.1
81.07055	77.4
83.04990	17.4
83.08610	42.5
85.06546	11.9
85.10171	10.7
91.05473	42.8
93.07046	66.2
95.04970	16.1
95.08601	61.2
97.06517	26.2
97.10162	37.7
98.97595	25.9
99.08097	33.7
101.51412	7.0
105.07008	37.9
107.04939	7.5
107.08586	53.6
109.10131	51.4
111.08073	8.7
113.09635	8.8
116.98658	31.1
117.06921	6.1
118.12904	6.3
119.08579	33.2
121.06508	17.5
121.10148	25.9
123.11681	7.2
125.09637	31.1
127.11154	13.9
131.08517	17.5
133.10106	24.3
134.99643	41.3
135.08049	7.8
135.11681	23.5
135.26410	6.2
141.12717	64.6
143.08574	9.6
145.10126	19.7
146.97545	7.1
147.11674	14.7
149.13257	7.6
150.52815	6.6
151.11241	13.7
153.12674	11.6
157.10146	8.9
159.07855	7.1
159.11658	9.8
161.13219	10.3
163.11151	12.0
165.12711	9.2
169.12233	20.2
171.11632	11.7
173.13286	11.9
175.14795	13.0
185.13268	6.9
189.11238	31.1
225.51372	7.2
259.20496	10.2
277.21625	96.8
290.94717	31.1
295.22644	100.0
308.95880	6.5
313.21570	20.1
313.27637	10.8
331.08490	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	313.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	23.4
55.05513	42.1
56.96561	15.7
57.03426	15.7
57.07071	50.3
57.75488	6.7
67.05502	93.5
69.07066	38.0
71.04984	29.0
71.08622	60.0
71.59709	9.9
78.93195	6.1
79.05486	43.9
81.03387	6.1
81.07055	77.4
83.04990	17.4
83.08610	42.5
85.06546	11.9
85.10171	10.7
91.05473	42.8
93.07046	66.2
95.04970	16.1
95.08601	61.2
97.06517	26.2
97.10162	37.7
98.97595	25.9
99.08097	33.7
101.51412	7.0
105.07008	37.9
107.04939	7.5
107.08586	53.6
109.10131	51.4
111.08073	8.7
113.09635	8.8
116.98658	31.1
117.06921	6.1
118.12904	6.3
119.08579	33.2
121.06508	17.5
121.10148	25.9
123.11681	7.2
125.09637	31.1
127.11154	13.9
131.08517	17.5
133.10106	24.3
134.99643	41.3
135.08049	7.8
135.11681	23.5
135.26410	6.2
141.12717	64.6
143.08574	9.6
145.10126	19.7
146.97545	7.1
147.11674	14.7
149.13257	7.6
150.52815	6.6
151.11241	13.7
153.12674	11.6
157.10146	8.9
159.07855	7.1
159.11658	9.8
161.13219	10.3
163.11151	12.0
165.12711	9.2
169.12233	20.2
171.11632	11.7
173.13286	11.9
175.14795	13.0
185.13268	6.9
189.11238	31.1
225.51372	7.2
259.20496	10.2
277.21625	96.8
290.94717	31.1
295.22644	100.0
308.95880	6.5
313.21570	20.1
313.27637	10.8
331.08490	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	313.2372
Annotation	7S,8S-Dihydroxylinoleic acid
Peak:m/z	Relative Intensity
51.76137	4.9
55.01860	12.8
55.05505	24.5
67.05508	47.7
69.07063	32.7
71.04318	6.0
71.04633	8.2
71.04998	8.2
79.05487	25.5
81.07064	35.1
83.08611	15.3
91.05473	17.9
93.07045	35.1
95.08611	100.0
96.69315	5.3
97.06522	5.2
105.06982	13.4
107.04947	13.1
107.08582	19.2
109.10182	11.7
111.08096	7.7
113.09662	31.7
121.10152	15.7
123.08036	6.5
129.09099	5.3
133.10155	10.6
135.11667	7.8
147.11690	14.2
148.15741	4.7
149.13237	7.4
259.20511	7.5
275.19815	4.7
277.21509	27.0
295.22684	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	313.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.4
54.48916	0.5
55.01883	0.6
55.05500	0.7
56.96561	0.9
57.07059	1.4
65.03930	2.1
67.05502	2.2
69.07056	0.9
70.04081	0.9
70.39185	2.3
73.90315	0.6
77.80112	0.5
79.05484	1.7
81.07036	2.3
91.05476	20.7
93.07029	8.3
95.04958	3.1
95.08593	1.6
95.43993	0.5
98.97569	1.4
103.05448	2.0
105.07034	3.5
106.04164	0.8
107.08610	1.0
109.06502	10.9
109.10120	0.7
116.98642	1.3
119.06086	2.7
121.10109	0.9
123.08054	1.9
129.06958	0.6
132.42906	0.6
133.06487	12.0
133.07521	0.7
133.10153	1.4
134.99632	2.2
139.07532	1.8
144.56728	0.6
145.10124	1.5
149.05974	100.0
150.06326	1.1
157.10117	0.8
159.11615	0.7
171.11723	0.8
210.43733	0.6
290.94724	1.9
313.21494	1.4
313.27344	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	313.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	8.4
55.05503	4.7
56.18850	1.5
57.03420	1.6
57.07071	2.6
65.03934	2.5
67.05495	5.9
69.03426	2.2
69.07064	2.7
70.06590	4.8
71.08627	2.2
71.58942	2.7
71.90747	1.6
79.05470	8.5
80.13586	1.5
81.03432	1.8
81.07050	6.7
83.08610	3.4
84.08139	3.6
86.09699	7.0
86.81169	1.7
91.05487	15.4
93.07027	7.8
95.04955	14.1
95.08602	5.3
103.05447	10.5
105.07035	24.5
107.04955	100.0
107.08611	2.7
108.05296	1.9
109.10179	1.8
111.04424	4.3
115.05443	4.3
116.98524	1.8
117.07034	4.6
119.04923	8.0
119.08607	2.3
120.08096	2.1
121.02876	35.6
121.06510	20.8
123.04416	7.9
125.00008	2.4
128.06232	2.5
129.07053	1.9
131.04950	11.2
131.08575	1.6
133.05473	3.4
133.06491	67.0
134.99640	3.3
135.04442	5.1
135.08063	3.5
136.70393	1.8
145.06493	12.7
147.04388	5.4
149.05972	34.5
151.07562	2.2
157.06439	3.0
163.07526	6.7
165.05490	3.7
166.06369	2.8
167.07100	2.7
173.06015	2.0
177.05473	6.6
184.07341	7.4
191.08597	2.6
201.12735	3.0
203.08572	3.1
214.94186	1.9
221.09575	4.3
231.08124	3.8
235.07648	2.7
249.09077	5.7
257.15320	1.9
265.08612	3.6
267.10211	18.4
267.13068	3.3
277.08597	3.2
285.14764	3.7
295.09525	4.5
313.21704	4.4
313.27246	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	313.1432
Annotation	Letestuianin C
Peak:m/z	Relative Intensity
50.98728	0.8
52.59684	0.8
53.03942	1.4
53.32750	0.8
55.01857	2.0
55.05503	2.1
57.03421	1.6
57.07069	1.6
60.04531	1.2
67.05498	2.4
69.03419	1.8
69.07069	5.1
69.60300	3.7
69.60728	2.8
70.06590	1.9
70.07415	1.1
71.08609	1.0
72.08165	1.7
73.02916	1.9
79.05479	6.5
81.03426	1.2
81.07059	2.6
83.08598	1.4
84.08140	2.5
85.02889	4.6
86.09708	1.6
91.05494	7.1
93.07044	5.8
95.04999	5.5
95.08626	1.9
97.02905	1.6
100.67775	0.9
103.05457	8.5
105.04591	1.2
105.07034	28.1
105.63351	0.9
107.04958	100.0
108.05293	2.0
110.75571	0.9
115.03922	1.5
115.05457	2.6
117.07048	1.2
119.04939	3.7
120.08138	1.7
121.06517	12.5
121.10205	1.1
129.07025	1.3
131.04924	3.1
132.05695	1.2
133.06499	80.7
134.06847	1.2
135.08023	1.9
137.05997	2.6
145.06499	6.2
149.05983	20.2
151.07507	2.1
157.06512	3.7
163.07523	5.3
173.03110	1.0
189.09062	1.2
205.82455	0.9
235.07510	1.1
251.10596	1.4
267.10068	1.0
313.27197	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1433
Annotation	Letestuianin C
Peak:m/z	Relative Intensity
52.49385	0.8
53.03955	2.2
55.05499	1.1
56.96552	1.4
57.03416	1.1
57.07069	1.0
65.03937	2.7
67.05504	11.6
69.03410	1.1
69.04555	2.1
69.07065	3.3
69.77837	5.9
70.06569	0.8
70.37843	0.8
71.04987	1.3
78.96267	0.9
79.05491	5.6
81.07054	9.0
91.05478	12.1
93.07022	7.5
95.04964	50.8
95.08598	14.0
97.06564	1.6
98.97577	2.0
103.05484	2.8
105.07050	4.8
107.04955	1.5
107.08597	8.8
109.06509	3.9
109.10156	9.7
115.05471	1.2
116.98624	1.8
117.07023	0.9
119.08577	4.4
121.06501	65.5
121.10139	1.5
123.08068	8.0
128.06229	2.0
129.07028	4.1
131.08545	2.4
134.03613	1.8
134.99675	1.0
135.04430	2.5
135.08063	9.9
137.06004	2.0
143.08565	2.9
145.06471	2.9
146.07233	1.4
147.08038	2.7
149.05971	100.0
149.09618	10.9
150.06323	1.7
151.07533	15.3
155.08569	2.4
157.06514	1.6
158.07254	2.4
159.08076	3.6
161.05981	1.3
161.09654	3.4
161.74557	0.9
163.07549	8.8
165.05472	1.0
165.07004	1.9
166.07745	1.0
167.07040	9.1
167.08449	1.7
169.10146	1.3
170.15381	2.8
171.08025	1.7
172.08803	2.1
173.05994	2.0
173.09641	4.3
174.06808	1.5
175.07547	5.4
177.05463	61.0
177.08984	4.6
179.08594	2.0
181.04945	10.1
181.10130	1.6
185.08174	1.0
185.09700	1.9
186.10576	0.9
187.07559	7.0
187.11229	1.6
188.08322	1.9
189.05499	4.1
189.09105	20.6
191.03384	7.0
191.07021	4.0
191.08548	1.3
192.09352	4.2
193.10112	1.1
195.08041	2.4
196.08824	1.6
197.09569	1.8
197.13257	2.8
198.14880	3.0
199.11171	1.6
201.09122	10.6
203.07024	2.3
203.10674	3.1
205.08502	1.3
207.11723	6.4
209.09570	4.5
209.13165	1.0
210.10443	2.5
211.11186	2.3
212.08301	1.9
215.07085	4.3
215.10674	2.6
217.08607	9.0
220.08800	1.8
223.11201	1.1
224.11995	3.4
225.09056	1.6
225.12755	3.4
227.10626	5.1
229.08647	10.0
229.12222	5.0
229.15897	2.5
231.10228	2.0
234.10371	1.1
235.11220	2.9
237.09140	2.0
239.10568	1.2
239.14285	5.0
242.13084	1.7
243.10204	3.3
243.13698	1.4
252.11435	3.8
253.12173	1.8
255.10223	2.5
257.12247	1.4
257.15344	28.3
258.15607	1.2
267.13794	38.1
271.09866	2.3
271.13239	2.1
285.14856	48.7
286.15179	1.9
295.13272	13.2
313.14273	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	313.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
55.01871	2.8
55.05498	4.6
56.96557	4.9
57.03416	2.3
57.07084	1.8
65.03918	2.4
67.05494	12.2
69.03422	4.0
69.07057	4.2
70.06579	1.9
70.85027	3.7
71.08619	2.4
72.08155	2.8
72.23591	1.4
79.01852	1.4
79.05486	6.9
81.03416	2.7
81.07058	11.2
83.04958	1.6
84.08109	2.6
86.09699	2.2
91.05468	12.7
93.03405	1.3
93.07036	8.3
95.04350	3.1
95.04957	57.1
95.08600	11.6
97.02882	2.8
97.06556	2.0
98.97578	5.9
103.05448	4.0
105.07031	7.0
107.04945	11.5
107.08583	10.4
107.75417	1.5
109.02840	1.5
109.06510	4.7
109.10136	5.8
116.98605	7.3
117.07028	2.4
119.08602	3.2
121.06488	71.1
121.10150	2.3
123.08036	7.8
128.06238	2.9
129.06984	5.4
131.04900	1.9
131.08522	2.6
134.99652	5.7
135.04443	4.0
135.08029	9.5
137.05994	3.8
141.06972	3.0
143.08554	2.1
144.09340	1.9
145.06500	2.6
146.97421	2.8
147.04466	2.1
147.08044	2.7
149.05960	100.0
149.09605	11.2
151.03900	2.0
151.07515	16.0
155.08586	5.2
157.06458	2.0
157.07648	2.9
157.10141	2.4
158.07214	2.7
159.08063	4.1
161.05972	1.8
161.09599	2.0
163.07506	8.6
165.05470	1.5
165.06990	1.9
167.07040	8.8
167.08493	3.1
169.10156	1.7
172.08841	1.7
173.05959	3.1
173.09627	4.5
174.06732	2.1
175.07535	5.8
177.05455	54.1
177.09097	5.6
181.04945	10.7
181.10127	2.5
182.10861	2.1
185.09637	1.6
187.07556	6.0
188.08424	1.6
189.05537	3.2
189.09090	20.9
191.03409	4.4
191.06976	5.0
191.08594	2.5
192.09348	4.2
193.10118	1.6
195.08073	3.2
197.09442	2.2
197.13240	3.6
199.07642	1.7
199.11340	1.8
200.08200	1.8
201.09117	6.4
203.10637	1.8
205.08672	2.2
207.11656	7.0
209.09547	4.4
210.10374	2.6
211.11102	3.1
213.12674	1.8
215.06960	2.3
215.10649	3.5
216.12312	1.8
217.08546	8.4
219.01810	2.3
223.10963	2.3
224.11966	4.2
225.12759	3.5
227.10715	4.0
229.08620	10.4
229.12051	6.8
235.11060	2.8
237.08929	1.8
239.14293	5.7
240.09755	1.6
242.13231	1.6
243.10248	3.8
252.11458	4.4
253.09595	2.0
253.12401	4.8
255.10213	1.9
256.08426	3.0
257.15353	27.6
267.00238	1.9
267.10931	2.5
267.13757	41.8
267.16486	2.8
271.10938	1.5
271.13721	7.7
285.14822	56.1
286.15140	1.7
295.10458	1.7
295.13300	13.2
313.03336	4.3
313.11304	4.2
313.14349	19.7
314.11343	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	313.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01871	7.3
55.05503	5.3
56.05046	2.2
56.96564	2.0
57.07059	5.1
60.04542	2.2
61.02947	1.6
65.03920	2.6
67.05495	4.8
69.07077	2.0
69.81277	1.7
70.06308	1.7
70.06598	18.4
70.61848	1.6
71.08635	5.1
71.58226	2.2
72.08149	12.3
75.52523	1.8
79.05489	5.6
81.03422	3.1
81.07059	5.0
83.08640	2.0
84.04494	5.2
84.08134	10.5
85.02905	2.3
86.09708	15.7
87.09979	2.3
91.05482	19.8
93.07030	5.9
94.04224	3.0
95.04974	9.6
95.08588	4.2
96.24339	1.9
103.05443	12.1
104.10735	6.3
105.07030	7.4
107.04956	100.0
107.08546	2.9
108.05292	2.6
110.07214	4.3
112.11201	2.9
115.05451	18.1
117.07017	3.0
117.82853	2.0
119.04948	24.6
119.08595	3.5
120.05744	12.6
120.08116	2.3
121.02859	7.8
121.06489	7.2
122.06031	1.9
123.04437	4.5
129.06993	4.0
129.10262	4.1
130.05014	2.2
131.04927	32.9
132.05690	7.1
133.06506	6.1
135.04430	5.7
137.02310	7.2
137.06013	2.9
143.04909	20.5
144.05719	8.7
145.06494	7.7
147.04424	7.5
149.05966	5.4
153.07092	2.8
155.04875	2.4
155.06015	2.5
157.06520	3.8
159.04431	5.2
161.05991	3.6
165.07013	5.3
166.07843	3.3
167.08582	5.5
171.04405	47.4
172.04832	2.0
173.05986	2.7
177.05478	7.5
177.06967	2.7
178.07715	2.6
181.06462	6.0
184.07372	7.7
189.05476	9.0
189.06987	2.8
190.07751	8.1
191.08560	17.0
194.07378	4.7
195.08015	5.4
197.09619	2.5
202.07767	3.3
203.08635	4.1
205.06528	5.3
207.08043	6.5
209.09650	5.1
210.06786	2.8
218.07260	5.5
219.08066	32.8
221.06000	3.3
221.09691	2.6
223.07555	13.6
225.09009	10.3
231.08014	8.2
235.07620	3.9
236.08417	2.8
237.09103	34.3
241.08549	15.7
247.07509	26.9
249.09081	7.4
253.08638	27.8
265.08588	86.2
266.08667	4.0
269.08066	3.2
271.09583	3.6
277.08627	8.1
278.17511	4.9
283.09641	29.2
295.09619	19.0
295.20255	5.8
313.10489	9.6
313.16269	4.5
313.19913	22.8
313.27402	2.4
321.47293	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1068
Annotation	5,7,4'-Trimethoxy-4-phenylcoumarin
Peak:m/z	Relative Intensity
52.69947	0.7
53.03952	2.0
55.01868	1.3
55.05503	2.0
56.96574	1.2
57.03437	1.3
57.07097	0.9
64.44341	0.8
67.05511	3.2
69.07066	1.1
70.06590	2.3
71.19664	0.8
71.19997	1.3
72.08159	1.5
72.51160	0.7
73.15574	0.7
75.45133	0.7
79.05500	4.7
81.07053	2.8
83.04964	0.9
84.04519	1.0
84.08134	1.5
86.09692	1.8
91.05470	2.6
93.07030	2.2
95.04977	6.3
95.08607	2.2
97.06516	0.8
104.10775	1.2
105.07036	1.8
107.04955	100.0
108.05295	1.6
109.06538	0.8
109.10172	2.0
111.04422	0.9
112.11206	1.0
117.07030	3.0
119.04948	1.2
119.08578	1.4
120.08117	1.8
121.02843	0.9
121.06499	2.0
121.10171	0.8
123.04410	1.5
123.08064	0.9
127.03925	1.1
131.04924	2.3
133.06502	1.3
137.02306	4.4
145.06487	10.0
147.04414	0.9
149.05972	2.3
157.06522	2.6
158.07297	2.5
159.08131	0.8
165.07008	1.0
171.04472	2.4
177.05502	1.8
181.06418	1.7
184.07394	1.9
189.05475	7.8
190.07759	0.9
191.08763	0.9
195.08170	1.1
201.05411	4.3
202.07805	1.2
203.08557	1.6
207.08189	1.4
215.08521	2.1
218.07286	3.4
219.08072	2.8
221.09718	1.4
223.07533	4.2
226.79358	1.0
231.08044	4.9
232.08563	0.9
233.09573	2.2
234.06673	1.3
235.07536	2.5
236.08298	5.3
237.08998	1.6
247.07608	1.4
249.09030	5.0
251.10579	4.5
265.08612	1.5
277.08551	13.7
281.43246	0.8
285.14963	1.0
295.09641	16.8
313.21167	0.9
315.90515	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
54.44240	0.6
55.01854	2.4
55.05506	3.9
56.96574	0.6
57.03433	3.2
61.02914	0.6
65.03940	5.1
67.05233	0.5
67.05504	5.7
69.03067	0.9
69.03426	11.8
69.07063	2.9
70.06581	0.6
71.04976	2.2
71.59869	0.7
73.02909	0.6
74.23619	0.5
79.05482	2.6
81.03414	19.5
81.07047	3.9
82.04189	2.0
83.04974	5.0
83.08612	2.5
84.08143	0.9
84.21857	0.6
84.25458	0.5
84.89532	0.7
85.02898	9.2
91.05473	3.0
93.03391	1.1
93.07056	3.6
95.01400	0.6
95.04945	3.2
95.08596	3.8
97.02891	4.5
97.06518	1.1
98.97590	0.9
99.04436	1.9
105.03333	0.6
105.07026	1.1
107.04941	4.1
107.08569	1.4
108.02071	3.0
108.36287	0.6
109.02866	4.2
109.06499	0.9
110.03627	0.9
110.07200	0.8
111.04436	8.0
111.08073	7.7
113.09612	0.9
116.70121	0.5
117.06981	1.1
119.08585	0.9
121.02877	1.4
121.06506	2.1
123.04384	1.0
123.08068	1.8
125.06001	3.4
127.03905	2.0
127.07611	0.9
131.08589	0.7
135.04375	0.7
135.08040	2.4
137.09581	0.7
139.07521	7.7
141.05440	3.9
141.09099	5.5
143.34619	0.6
145.10127	0.7
146.97478	0.6
147.04398	0.8
148.78520	0.5
148.80408	0.5
151.03899	100.0
151.04988	7.4
151.07480	3.3
152.04251	1.1
152.07037	1.5
153.09039	0.8
163.03896	0.7
163.11130	0.8
169.04907	5.4
181.04974	0.8
191.10652	1.9
209.11682	4.5
219.06512	2.9
225.10397	1.2
243.73457	0.6
271.10602	0.6
281.87994	0.6
295.08133	8.6
295.11761	5.8
296.08310	0.6
313.10904	2.1
326.47717	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.7
55.05514	72.5
56.05043	12.2
56.05854	12.4
56.28136	2.5
57.03439	26.0
57.07080	30.8
58.02956	4.1
58.03757	5.5
60.04503	3.3
60.32804	2.2
65.03928	2.9
67.05507	49.0
68.05043	12.6
68.05830	10.9
69.07070	100.0
69.92793	10.4
70.06567	5.1
70.07410	19.4
71.08633	14.5
72.08939	3.4
74.06060	2.4
79.05486	33.5
80.05035	3.9
80.05813	5.7
80.67056	2.2
81.07056	56.5
81.56091	2.5
82.06579	9.0
82.07378	15.5
83.04977	5.7
83.08614	39.7
84.08957	12.4
84.69447	2.3
85.10176	5.4
86.06070	75.6
86.06601	3.6
91.05478	16.7
93.07045	32.1
94.06551	5.0
94.07381	7.0
95.04967	3.0
95.08608	53.4
95.12630	2.4
96.08107	3.1
96.08929	14.6
97.06513	9.5
97.10166	28.1
98.06065	2.5
98.06927	2.9
98.10498	6.8
100.07592	5.6
105.07046	14.7
107.08588	18.1
108.08896	5.6
109.10140	22.4
110.10461	3.8
111.08048	4.3
111.11723	4.8
119.08585	6.8
121.10159	18.6
122.10461	11.6
123.08113	2.9
123.11694	10.7
126.09138	3.3
131.04181	2.6
133.10132	8.3
135.11725	11.5
136.12009	9.2
137.13240	4.1
139.11176	2.9
143.57045	2.7
147.11633	6.4
149.13165	3.7
150.13602	3.5
161.13306	2.9
163.14870	4.3
220.21425	4.2
238.22455	4.8
259.24265	5.6
264.26843	10.7
276.26776	6.3
294.27893	81.3
312.12183	5.4
312.15790	3.1
312.26126	89.8
312.31964	4.0
313.26321	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	312.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	64.7
56.05033	12.6
56.05833	11.9
57.03438	20.3
57.07080	29.8
57.68388	4.5
60.04526	6.9
60.98027	4.9
67.05505	56.1
68.05021	14.2
69.07071	97.6
69.44691	46.1
70.07409	14.9
71.08634	16.6
79.05490	30.5
81.03409	6.6
81.07059	66.8
82.06576	13.6
82.07396	8.0
83.08611	45.2
84.08945	12.3
86.06070	100.0
86.09727	5.0
88.83813	5.4
91.05482	19.8
92.02037	4.5
93.07044	28.5
94.06579	8.5
95.04987	9.1
95.08611	65.1
96.08933	8.2
97.06510	9.1
97.10164	26.8
98.10521	9.1
98.24658	5.1
104.10726	4.9
105.07045	20.6
107.08588	16.9
108.08157	8.4
108.08886	5.5
109.10166	28.5
110.10564	5.7
111.11697	5.2
119.08570	12.3
121.10173	20.3
122.10467	12.6
123.11717	9.7
133.10133	8.4
135.11743	7.4
136.12035	8.7
147.11694	11.9
149.13277	6.2
188.51030	5.4
192.61243	5.9
214.94022	7.6
252.15233	5.1
259.24219	7.6
264.26965	6.2
275.20996	6.7
276.27176	7.1
294.21585	11.2
294.27908	90.2
312.12137	14.9
312.15704	6.7
312.26147	74.9
312.32159	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	312.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05649	1.4
70.06577	1.6
70.29932	1.9
70.30296	1.1
70.38280	0.5
85.88469	0.5
94.06573	2.1
110.06043	2.0
116.07092	0.8
121.12614	0.6
130.09760	0.9
138.05499	100.0
139.05830	1.1
139.97598	0.7
171.08478	0.5
175.10628	0.5
175.11826	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	312.1802
Annotation	Phomaligin A
Peak:m/z	Relative Intensity
53.03926	1.5
55.01863	3.2
55.05508	6.2
56.05025	2.2
56.96555	4.0
57.03418	3.3
57.07063	1.5
64.50287	1.2
67.05501	14.7
68.05818	1.1
69.03416	9.2
69.07047	3.1
70.04054	2.1
70.05277	3.9
70.05685	2.9
70.06570	2.3
71.04971	3.8
72.08119	1.4
75.10568	1.2
79.05482	12.1
80.04976	1.9
80.05814	1.5
81.03405	2.7
81.07051	14.1
81.45885	1.1
82.06576	14.0
82.07370	1.8
83.04963	2.5
83.08604	3.0
84.04496	16.6
84.08125	2.6
84.13248	1.2
86.06064	21.8
86.55213	1.1
87.04463	18.8
89.51471	1.2
91.05475	11.0
93.07029	12.4
94.06547	1.6
94.07339	1.2
95.04948	6.4
95.05972	1.3
95.08586	4.8
96.04478	3.2
96.08095	2.3
96.08884	1.2
97.06512	2.1
97.28558	1.4
98.06058	13.0
98.97548	2.7
99.08068	3.3
100.07634	1.8
105.07021	6.7
106.06642	1.3
106.07322	2.3
107.04929	6.5
107.08584	8.3
108.08094	2.1
108.08848	1.5
108.26283	1.2
108.77711	1.4
109.06516	2.4
109.10133	5.0
110.06032	47.2
111.08083	1.6
112.07590	1.1
115.05400	1.5
116.98651	2.1
117.06996	3.4
118.07387	1.4
119.08580	4.4
120.08052	2.4
121.06493	5.3
121.10091	6.3
121.67377	1.2
122.06048	2.1
122.09644	4.1
123.08106	1.8
124.07610	7.3
126.09138	6.5
129.06995	2.0
131.08533	7.2
132.08083	1.7
133.10156	1.7
134.05997	1.5
134.10493	2.0
134.99667	2.4
135.11682	4.0
136.07558	2.0
137.05962	2.4
138.09129	5.3
145.06476	1.4
145.10123	16.9
147.07957	1.4
148.07509	1.9
149.05969	4.5
149.09618	2.5
150.09123	43.0
151.09532	1.3
151.11113	1.5
152.14287	1.4
155.08548	5.2
160.66663	1.4
162.09143	3.9
162.12801	1.4
163.11171	20.5
164.10678	3.3
166.08624	11.9
166.12257	3.1
173.09630	15.6
174.99165	1.4
177.05408	2.4
178.08617	96.5
179.08984	2.1
180.13835	7.2
189.09116	2.0
190.12291	6.9
191.10658	10.4
192.10150	6.4
192.13873	1.5
208.13306	33.0
214.05832	2.6
226.14418	1.8
230.15401	11.4
238.14156	1.4
240.13820	3.9
248.16472	9.1
250.18294	1.8
258.14880	44.5
266.17480	24.3
268.14154	2.8
276.15921	68.8
277.16183	2.9
285.14682	2.7
294.12109	1.6
294.16949	24.4
294.20206	2.0
312.18021	100.0
312.32526	1.4
313.18353	3.7
319.08813	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1592
Annotation	Thebaine
Peak:m/z	Relative Intensity
57.03716	0.4
60.08170	0.5
64.33103	0.4
66.64996	0.4
71.43798	1.0
91.45280	0.4
107.04938	2.0
121.02853	3.2
146.06017	0.6
158.05919	0.5
162.05502	1.2
163.07521	2.4
165.09081	0.6
171.06801	0.5
174.05569	0.5
175.06248	4.1
175.07544	0.7
177.18312	0.4
188.07048	0.6
190.08635	10.6
202.08711	0.8
203.09355	1.2
205.06546	0.6
207.08081	1.0
208.08766	0.5
219.08133	0.5
221.09685	0.5
222.09109	0.5
223.07530	0.5
234.06824	0.6
235.07584	1.7
237.09152	0.6
238.09631	0.7
238.12149	0.6
250.09814	2.5
250.12067	0.5
251.06992	1.4
251.09354	0.9
252.11469	0.8
265.12225	3.3
266.09344	1.4
266.11920	0.8
268.13315	7.0
278.08112	1.4
279.09000	0.8
280.09589	0.5
280.13293	0.6
281.11694	6.2
282.11227	2.9
283.11938	2.6
283.92514	0.6
284.12720	0.7
294.11258	4.0
295.11560	0.5
296.09381	1.4
296.12793	23.8
297.10101	0.9
297.13477	5.7
312.12262	22.7
312.15906	100.0
312.32581	3.1
312.36267	2.5
313.09586	0.6
313.16168	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	312.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
53.95979	0.6
55.01852	2.3
55.05495	1.5
56.05029	1.2
56.96558	1.7
57.03426	2.3
59.04999	0.7
60.04522	5.8
61.02915	1.4
61.69913	0.7
68.05025	0.8
69.03427	3.9
69.65160	4.8
70.06583	6.0
71.01346	1.2
71.04976	0.8
72.04490	0.7
72.08152	10.5
73.02908	2.2
76.83059	0.7
79.05491	1.6
80.05019	7.0
81.03406	2.9
81.07039	2.1
82.06555	1.5
84.04485	2.5
84.08144	9.8
85.02882	5.6
86.09692	3.8
87.04436	1.1
94.06551	1.1
95.04954	1.5
95.06048	0.8
96.04511	0.8
96.08101	2.0
97.02882	5.5
97.07684	0.7
98.06029	1.6
98.09656	1.6
98.97571	2.2
99.00785	1.0
99.04425	1.2
102.05541	0.9
105.07030	0.8
106.06550	1.6
107.04943	95.2
108.05272	3.0
110.06044	8.2
110.07160	1.6
112.07611	1.2
114.05509	2.0
114.09152	1.1
115.03925	1.2
122.06020	10.8
123.04430	0.7
124.03940	0.8
124.07568	3.0
125.02345	6.6
127.03851	0.8
128.06313	0.7
132.06538	1.4
133.05006	1.7
133.06332	0.7
134.05963	4.3
140.07079	3.8
140.08017	0.9
142.08607	1.4
146.99536	0.9
150.05489	4.7
150.07719	3.1
150.09122	2.2
152.07056	6.5
170.08115	13.0
174.01163	0.7
174.11296	1.8
178.07115	3.4
186.11209	1.2
187.54546	0.8
188.09174	9.5
206.10225	100.0
207.10602	1.3
213.12524	0.7
213.42761	0.7
219.01848	0.8
232.11787	9.6
237.02800	1.3
250.12834	81.2
251.13185	1.5
294.15405	12.1
312.14270	10.2
312.16803	5.8
325.06259	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
56.05033	2.8
57.03437	0.9
61.02919	1.6
61.80937	0.6
69.03435	3.5
70.06610	1.4
71.04994	0.7
71.59557	0.9
73.02909	0.8
75.64816	0.6
79.05490	2.4
80.65409	0.6
81.03400	1.6
81.07053	0.7
82.06569	2.2
82.40819	0.6
84.04491	0.7
84.08143	0.8
85.02897	6.8
87.04433	1.0
91.05472	1.8
95.04974	2.6
95.06100	0.7
97.02887	2.6
99.40832	0.7
105.07025	19.6
107.04949	80.9
108.05267	1.2
109.02818	0.7
109.06522	1.5
110.07103	0.7
115.05470	1.0
122.06026	0.7
122.09696	0.8
127.03937	1.3
132.04451	4.7
132.08107	4.0
133.06482	25.8
135.06775	1.5
136.06160	2.0
137.06004	0.7
145.05031	0.8
148.07568	1.1
150.05502	45.1
150.09132	100.0
151.05881	0.9
151.09488	1.6
160.07552	1.9
178.08640	2.1
181.36798	0.7
182.04929	0.9
188.58047	0.9
192.10219	2.1
294.13531	1.1
312.10788	3.5
312.14343	31.1
313.14523	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
56.96551	0.8
57.03418	0.7
60.04518	7.3
61.02924	0.7
69.03439	2.9
70.06585	5.5
70.62565	1.4
72.04499	0.7
72.08137	1.2
72.46779	0.6
73.02917	1.0
79.05486	1.7
81.07038	0.8
82.06580	0.8
84.04492	1.4
84.08140	1.7
85.02895	2.6
86.06052	10.9
87.04461	23.2
92.40807	0.5
94.92745	0.5
95.04951	1.8
97.02869	1.1
98.06049	14.8
100.07594	2.2
102.05514	1.7
103.03945	1.4
104.07089	8.9
107.04945	94.3
108.05302	1.7
109.05123	2.2
110.05986	0.8
110.07182	0.8
112.07643	0.8
116.07096	1.8
120.06587	3.4
121.05105	0.7
124.07564	1.2
125.02317	0.7
126.05500	1.1
128.07071	13.3
133.06471	0.9
135.06673	1.4
136.06151	6.6
137.06552	1.2
138.07744	1.1
140.07050	2.2
142.08629	2.9
146.08122	7.4
150.08034	0.6
150.09143	3.2
152.07045	2.4
152.09277	1.2
162.07764	3.0
163.06161	1.4
163.08061	2.5
164.05641	1.0
164.09346	2.9
170.08105	4.5
176.09137	0.8
178.07239	0.7
180.08844	5.3
180.10423	0.9
181.08295	2.8
188.09161	1.8
206.10225	100.0
207.10573	1.7
213.12314	0.7
232.11826	1.2
250.12851	10.9
294.15213	0.9
312.14050	4.0
313.12396	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1302
Annotation	N,N-Dimethylguanosine
Peak:m/z	Relative Intensity
55.01861	0.6
57.03432	0.6
70.02472	2.3
70.02892	1.1
70.06591	8.8
71.06114	0.6
71.13775	0.7
72.08151	1.0
72.49293	0.5
74.33947	0.5
84.04486	1.3
84.08141	1.2
86.09686	0.7
98.20861	0.9
107.04971	3.0
110.03513	5.2
110.07157	1.9
116.07098	1.3
121.02847	0.8
128.04556	1.2
128.22377	0.6
129.10217	0.9
130.67703	0.7
132.08128	0.8
134.06009	0.9
136.07596	0.9
137.08255	2.8
144.21666	0.7
144.59212	0.6
146.06026	0.7
153.04118	2.2
158.05905	0.7
162.05513	0.9
162.07770	0.9
165.06517	1.1
169.13385	1.6
180.08807	100.0
181.09207	1.4
181.43121	0.6
185.13020	0.6
189.06744	0.6
190.05089	0.5
190.08730	1.9
197.12817	1.7
198.16840	0.6
203.08105	1.2
221.09230	0.9
223.06787	0.6
248.10352	0.7
249.08803	0.8
264.55591	0.5
281.11996	0.7
294.11111	1.5
312.12195	4.6
312.32672	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1228
Annotation	Clausevatine D
Peak:m/z	Relative Intensity
53.91357	0.8
55.05502	2.1
56.96558	2.0
57.45938	0.7
65.03938	1.8
67.05495	2.3
69.07051	0.9
70.06581	0.9
72.08141	0.8
77.14823	0.7
79.05478	2.0
81.03402	0.9
81.07056	3.3
82.07388	0.9
86.09722	1.2
89.96795	0.7
91.05482	16.6
93.07054	1.1
95.04967	2.7
95.08611	1.1
96.08911	0.9
100.11311	0.9
103.05419	0.9
107.04945	3.2
107.08552	0.9
109.10122	1.5
117.06999	0.8
119.04945	27.9
119.08606	1.2
120.08109	1.4
121.02902	1.1
121.06513	2.0
123.04412	0.8
127.39677	0.7
130.34674	0.8
131.98434	0.8
133.10162	0.8
137.06050	0.8
139.34531	0.7
147.04411	100.0
148.04709	1.7
149.01147	0.9
149.06023	1.7
158.10249	0.7
170.06180	0.8
177.05576	1.0
179.26051	0.7
184.07318	1.7
187.15509	0.8
190.08582	1.6
192.08925	0.8
215.07230	0.8
221.09554	0.8
264.10477	0.7
265.08374	1.0
267.10275	1.2
271.04605	0.7
280.10425	0.9
294.11279	1.1
294.16907	0.7
312.12473	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	312.092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.2
56.05020	0.6
56.68491	0.4
56.96566	0.4
57.03432	0.4
57.07063	1.5
63.46503	0.3
67.05489	2.3
69.03415	0.7
69.07055	2.0
70.04070	100.0
70.06592	0.4
71.03767	0.4
71.04406	1.0
71.04992	0.9
71.08624	0.5
71.59734	0.6
71.60082	0.4
79.05473	1.1
81.03423	1.1
81.07056	1.9
82.07383	0.6
83.04942	0.4
83.08611	1.1
84.08141	1.5
85.02924	0.4
88.11270	1.2
91.05470	1.3
93.07037	1.2
94.39630	0.4
95.04964	0.7
95.08588	1.3
96.04504	0.4
96.08938	0.4
97.06518	0.7
98.97555	0.3
100.07635	0.8
101.13334	0.3
105.07034	0.8
107.04949	0.9
107.08575	0.7
109.02874	1.4
109.10123	0.4
113.05964	0.4
116.98605	0.4
117.07023	0.4
121.06516	1.0
121.10155	0.5
126.09151	2.0
126.09969	0.5
133.10081	0.9
135.11725	0.5
136.08545	0.4
151.42030	0.4
156.11264	0.6
157.10168	0.5
161.09564	0.6
171.08147	0.4
176.11641	0.3
179.10747	0.7
207.10152	1.0
213.09718	1.0
231.10716	1.8
234.16127	0.5
236.11397	0.4
276.20187	0.8
294.20993	2.3
312.12958	0.7
312.21722	1.6
312.25208	4.2
313.07187	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.1
55.05514	2.2
56.05024	1.8
56.81754	1.1
57.07062	2.0
57.99245	0.9
67.05492	3.1
69.07054	4.3
70.04074	100.0
71.04980	2.1
79.05502	2.5
81.03410	2.2
81.07039	3.7
83.08616	1.4
84.08134	3.5
91.05464	2.1
93.07029	3.1
95.04918	1.8
95.08565	2.5
97.06516	1.6
97.10173	1.1
98.21566	1.4
100.07598	2.8
105.07010	1.5
107.04980	2.3
107.08644	1.1
108.04401	0.9
108.05180	1.0
109.10129	1.9
126.09148	5.0
133.10123	1.0
134.10420	1.0
134.99623	1.5
136.08479	1.0
177.56790	1.0
220.43549	1.0
229.07457	1.1
231.10756	2.0
240.11572	1.0
294.21326	1.9
299.71402	1.0
307.10370	1.5
312.10733	1.1
312.21774	2.2
312.25015	12.5
313.06970	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	311.2577
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03941	0.8
55.01870	6.9
55.05508	40.4
57.03434	13.0
57.07072	18.6
67.05499	7.0
69.07065	40.8
70.04051	2.2
71.04967	1.1
71.08629	10.4
71.43554	1.4
73.02904	5.1
79.05492	4.6
81.07049	8.0
83.04978	1.3
83.08614	35.4
85.10177	4.1
91.05467	1.0
93.07031	5.0
95.08601	6.8
97.06547	3.0
97.10162	24.9
107.08568	3.1
109.10137	2.5
111.08110	1.4
111.11720	6.9
121.10133	4.6
123.11699	0.9
125.09637	1.2
125.13248	1.2
129.05482	2.3
135.11682	2.6
142.52077	0.5
149.13217	1.8
156.96072	0.6
197.71378	0.6
209.11662	1.0
219.21025	0.9
237.11215	1.1
237.22096	1.7
255.23140	0.8
311.25784	100.0
312.26157	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	311.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	5.3
55.05508	47.1
56.05831	0.7
57.03434	17.3
57.07074	20.4
67.05500	7.7
69.07063	56.3
70.04053	0.8
71.04984	0.9
71.08277	0.9
71.08627	11.7
71.48250	1.7
73.02890	3.2
79.05490	4.7
81.07049	8.8
83.04964	1.4
83.08611	46.7
85.10174	5.5
91.05450	1.1
93.07038	6.0
95.08595	7.6
97.06528	4.4
97.10163	30.9
107.08591	4.4
107.71503	0.8
109.10144	3.2
111.08085	1.5
111.11714	7.3
121.10138	5.8
123.11694	1.8
125.09615	1.0
125.13228	2.1
129.05428	1.9
129.96124	0.6
135.11642	4.5
139.11116	1.5
149.13248	2.4
153.12656	1.0
163.14795	1.3
206.19951	0.7
219.21031	1.8
237.22144	1.1
311.25781	100.0
312.26059	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	311.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	16.6
57.07074	22.0
64.52853	10.8
66.96131	12.8
67.05508	40.5
68.50337	11.0
69.07073	30.1
69.41177	100.0
71.08632	19.3
81.07059	40.2
91.05479	12.7
93.07034	27.9
95.08613	39.1
107.08588	15.5
109.10179	15.9
121.10102	16.5
121.91297	11.2
123.72905	12.1
133.10156	11.5
147.04353	10.1
207.42809	13.0
209.11707	24.8
226.12833	11.9
237.11209	15.9
279.23264	18.5
296.12732	12.4
311.14554	14.2
312.12479	15.7
312.15942	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	311.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.3
55.01851	11.4
55.05507	26.5
57.03438	5.4
57.07054	13.5
57.52455	4.1
62.11795	4.2
64.01311	3.8
65.82637	3.9
67.05499	41.2
69.07065	28.7
70.04074	11.8
71.08624	100.0
71.10020	11.3
79.05500	20.4
81.07056	49.9
83.04940	9.4
83.08601	20.5
91.05459	15.3
93.07025	18.1
95.04961	4.4
95.08588	37.9
97.06537	5.4
97.10134	11.5
99.08089	75.6
105.07029	14.7
105.52048	4.7
107.08589	14.8
109.10160	13.8
117.06995	4.7
119.08555	11.0
121.10126	15.4
123.11664	9.0
131.08595	6.0
135.11716	8.7
137.13214	6.0
147.11667	36.7
149.13217	7.2
151.14861	4.8
153.12685	16.1
161.13208	6.4
163.11133	7.2
163.14792	10.1
165.12715	12.3
167.40187	4.6
173.13283	7.6
181.15871	11.9
209.11708	11.5
237.11316	8.7
243.21124	12.5
261.22067	17.5
279.23218	48.1
311.15067	7.4
311.25900	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	311.2579
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03944	4.3
55.01879	5.3
55.05513	54.3
57.03439	29.6
57.06838	2.0
57.07083	26.7
62.62350	2.0
65.14433	2.1
67.05506	48.3
68.66015	1.9
69.07069	70.2
70.07413	2.6
70.78577	5.2
71.05003	3.5
71.08627	12.4
72.08156	1.8
79.05491	26.1
81.07058	62.1
83.04984	5.4
83.08624	40.1
85.06519	2.3
85.10155	3.7
91.05491	13.3
93.07041	29.5
95.04990	4.8
95.08610	44.1
97.06523	11.2
97.10155	26.2
99.08114	2.5
105.07027	4.0
107.04926	3.3
107.08598	20.3
109.10144	15.0
111.04485	3.4
111.08097	9.5
111.11723	6.8
119.08612	2.5
121.10148	29.6
123.11700	7.9
125.05940	2.8
125.09609	6.2
131.08545	2.7
133.10161	2.8
135.11716	13.0
137.05984	2.1
137.13246	5.6
149.13223	7.3
150.75337	2.2
153.05478	3.7
163.14827	3.5
165.12732	2.2
191.10591	3.0
191.51736	2.1
202.56827	2.0
209.11662	9.6
214.36481	2.2
219.21106	7.5
237.11227	10.1
237.22115	5.4
279.22287	2.3
311.22180	4.9
311.25806	100.0
311.31418	5.0
312.15817	2.6
312.26041	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	311.2578
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
51.77264	1.2
53.03944	1.8
55.01864	1.8
55.05508	62.1
57.03437	35.2
57.07074	25.5
67.05501	46.9
69.07067	83.6
70.04084	1.4
70.65501	3.8
71.04992	2.6
71.08626	13.7
74.51325	1.3
77.03957	1.1
79.05487	22.9
81.07053	57.3
83.04962	3.6
83.08618	45.7
83.09116	2.2
85.06548	2.1
85.10178	6.2
86.06047	4.8
91.05473	5.8
93.07040	25.3
95.04950	2.7
95.08603	44.8
97.06531	7.4
97.10167	25.0
99.08048	2.5
101.05965	1.5
105.07029	2.9
107.08598	14.9
109.10144	16.4
111.08097	7.0
111.11694	6.2
113.09672	1.7
119.08582	2.0
121.10145	26.0
123.11708	10.2
125.09630	3.9
125.13229	1.4
133.10118	1.9
135.11693	18.2
137.13237	5.2
139.11182	3.2
145.10078	1.4
146.50565	1.2
149.13243	9.0
151.14828	1.6
153.12741	2.9
156.86137	1.3
163.14769	3.2
171.84468	1.4
177.16356	2.6
207.08409	1.9
209.11742	4.2
210.89696	1.4
215.77217	1.4
219.21059	4.5
237.11232	4.8
237.22078	4.3
265.21689	1.4
275.07748	1.3
275.20078	2.1
293.21100	5.0
294.27966	5.2
311.25790	100.0
312.26199	4.0
313.89050	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2576
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
55.01855	2.9
55.05506	53.9
57.03434	21.5
57.07074	25.6
67.05496	9.8
69.07064	63.2
69.74605	4.8
71.08273	1.2
71.08628	15.8
73.02908	2.5
73.06541	1.0
79.05496	6.1
81.07050	11.3
83.04923	1.3
83.08613	53.2
85.10184	6.3
93.07032	6.6
95.08589	8.4
97.06510	3.7
97.09535	1.9
97.10162	36.1
107.08574	4.2
109.10129	3.0
111.08066	1.6
111.11715	9.9
121.10141	8.6
123.11729	1.9
125.09636	1.9
125.13293	1.9
129.05458	1.1
133.80820	0.8
135.11694	4.4
137.13278	1.9
149.13243	2.7
153.12689	1.1
163.14951	1.1
219.21057	2.6
237.21988	1.6
311.25781	100.0
312.26044	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2577
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.45477	5.2
55.01856	9.0
55.05506	80.3
57.03437	7.0
57.07066	25.5
61.43739	6.2
66.49515	7.4
67.05499	100.0
69.03405	11.8
69.07066	78.6
69.29073	24.6
69.29499	47.8
70.04060	13.1
71.05004	8.1
71.08627	12.1
73.00647	5.7
79.05481	47.8
81.07053	90.5
83.04972	10.6
83.08614	48.0
91.05467	10.8
93.07041	39.7
95.04942	7.1
95.08610	79.8
97.06534	13.2
97.10159	54.2
98.21581	7.9
99.08075	7.4
105.07016	14.0
107.08578	44.5
108.30704	6.7
109.10146	48.0
111.04456	7.7
111.08117	9.0
111.11682	5.9
117.06973	6.9
119.08562	12.1
121.10129	15.2
123.11709	23.5
125.09625	48.9
131.08572	9.9
131.85579	7.3
132.45360	6.9
133.10136	9.1
135.08009	11.8
135.11670	34.9
137.13261	12.7
141.16713	6.2
145.10193	10.0
147.11684	10.9
149.13177	5.5
153.09100	12.9
153.12738	14.2
155.10765	6.0
163.14775	7.6
195.13715	8.3
201.51392	5.8
203.12808	19.2
209.11748	14.7
218.49728	8.4
234.12292	6.4
237.11180	13.3
243.21049	10.1
243.43819	6.1
261.22220	37.2
279.23206	72.0
311.25842	32.6
324.80533	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01863	2.6
55.05509	61.8
57.03434	27.8
57.07073	32.0
58.95942	1.0
60.54500	1.0
67.05208	1.1
67.05502	10.5
69.07064	72.5
70.04072	9.2
70.06581	1.0
70.07397	0.9
71.04383	1.4
71.08633	18.3
73.02906	2.1
79.05499	7.1
81.07059	14.1
83.04998	1.8
83.08614	59.8
85.10165	8.9
91.05464	1.3
93.07051	9.2
95.04959	1.3
95.08607	10.6
97.06008	1.0
97.06526	6.5
97.10165	41.9
105.07043	2.0
107.08588	7.3
109.10155	4.1
111.04414	0.9
111.08040	2.9
111.11710	13.1
121.10152	8.1
123.11722	1.7
125.09611	2.5
125.13228	4.0
129.09177	1.1
135.11678	5.4
137.13228	1.3
139.11180	2.3
146.11841	0.9
149.13228	4.4
157.10193	0.9
163.14832	2.2
166.19443	0.9
209.11710	2.2
219.21112	2.0
237.11139	2.5
250.13988	0.9
278.82675	0.9
280.52997	0.9
293.21140	1.9
311.25790	100.0
312.00671	1.6
312.04712	1.3
312.26074	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	311.2367
Annotation	14'-apo-beta-Carotenal
Peak:m/z	Relative Intensity
53.03934	5.0
55.01850	4.5
55.05502	24.2
57.07076	6.6
60.69629	3.8
67.05496	43.3
69.07064	72.3
70.65163	3.7
71.51763	7.3
74.18044	3.5
76.86862	3.5
79.05486	26.8
81.03405	5.8
81.07055	48.6
83.08619	12.7
91.05478	40.6
93.07034	100.0
95.04964	63.1
95.08598	87.6
97.06543	28.5
97.10129	10.8
105.06375	6.1
105.07021	72.3
107.08591	42.8
109.06509	17.9
109.10155	33.4
115.05483	6.2
117.07018	14.7
119.08566	71.8
121.06499	17.4
121.10140	47.9
123.08047	18.4
123.11703	18.7
129.06998	5.8
130.07861	5.4
131.08530	19.9
133.10112	43.1
135.08038	14.3
135.11693	15.0
137.09691	5.1
137.13165	6.8
140.52654	4.8
142.07780	10.3
143.08575	10.0
145.10103	45.2
147.11687	31.4
149.13277	6.5
155.08589	6.1
156.09390	4.7
157.10092	31.3
159.08028	5.8
159.11697	46.2
161.09581	7.2
161.13263	11.5
167.08559	5.9
169.10088	8.8
171.11662	21.6
173.13254	11.9
175.14807	14.9
177.16345	18.5
185.13226	10.8
187.11107	4.7
187.14847	7.0
189.16330	14.7
197.13260	12.6
199.14754	8.9
201.16402	14.2
203.17862	7.8
211.14778	9.6
215.17961	9.8
219.17427	9.6
223.14948	7.8
225.16397	4.9
227.92448	5.3
237.16380	5.6
240.75070	4.7
255.12035	4.1
255.21069	7.8
281.18961	4.5
293.22635	9.7
311.23273	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2215
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03949	5.6
55.01876	26.0
55.05514	28.7
57.03435	7.3
57.07071	11.1
57.73046	2.7
59.38496	3.2
65.03956	4.2
67.05507	84.6
69.03413	10.0
69.07070	22.6
69.86217	18.8
70.97039	2.7
71.05008	6.5
71.08636	53.2
74.10281	3.0
79.05499	38.1
81.03415	9.1
81.07060	67.1
83.04993	18.9
83.08608	10.3
85.10180	7.5
87.04472	4.9
91.05476	36.0
93.07038	43.9
94.94164	2.8
95.04979	9.6
95.08608	94.8
97.06539	21.9
97.10156	3.4
98.21391	5.5
99.08095	65.1
105.07017	26.7
107.04926	5.2
107.08586	22.4
109.06493	6.3
109.10155	27.7
111.08079	23.4
113.09625	16.2
115.03885	4.7
117.06974	3.6
119.08598	12.6
121.10133	14.3
123.08078	5.7
123.11702	3.1
125.09661	3.0
127.11190	5.5
131.04880	3.1
131.08574	13.3
133.10156	22.7
135.11699	13.2
137.13260	5.5
139.11192	3.7
141.05510	3.8
145.10133	8.1
147.11691	7.3
149.13274	14.8
151.11224	7.4
153.12759	5.3
159.10190	25.1
159.11624	7.0
162.39771	3.2
163.14799	5.8
165.12801	5.2
167.14337	5.4
173.13281	5.4
210.31474	2.9
229.19513	8.5
247.20586	9.9
265.21625	100.0
293.20975	8.7
311.22232	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
50.60484	2.6
53.03941	4.4
53.80331	2.7
55.01886	7.0
55.05513	26.0
55.45720	3.0
57.03442	16.2
57.07075	8.0
59.04984	4.3
60.04526	3.7
65.03922	4.1
67.05506	89.4
69.07067	21.2
69.45892	26.5
70.04075	27.7
71.04403	3.6
71.04994	7.1
71.08634	5.4
73.41145	2.7
79.05058	5.3
79.05495	60.3
81.03408	3.7
81.07059	100.0
82.07415	3.9
83.04976	7.3
83.08606	10.8
84.88976	2.8
85.06551	5.8
91.05479	31.2
93.07050	48.6
95.04969	17.1
95.08608	79.6
96.08994	3.1
97.06544	9.2
97.10188	7.0
98.21458	6.9
99.08105	6.1
103.05511	3.6
105.07025	18.8
107.04970	8.1
107.08595	39.3
108.34214	2.6
109.06528	6.3
109.10148	38.3
110.12605	2.3
111.08099	5.7
116.26606	2.7
117.07024	11.5
119.08568	18.7
119.51041	2.8
121.06448	3.6
121.10135	37.0
123.08055	4.7
123.11713	9.2
125.09647	10.3
127.01220	7.8
128.01578	7.0
131.08577	19.9
133.10144	13.2
135.11713	23.8
139.11188	4.2
145.10112	17.7
147.11720	7.2
149.09605	3.7
149.13350	5.6
151.11156	2.6
154.03146	4.2
159.11707	12.6
163.11270	5.1
173.13321	5.2
184.26637	2.6
185.13341	3.8
201.16362	26.4
207.08415	3.2
219.17386	18.9
237.18515	5.2
265.21484	4.2
275.20071	8.0
293.21133	9.9
311.15240	10.7
311.22379	21.3
312.12317	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	311.2214
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03936	3.6
55.01868	5.4
55.05505	12.6
57.03430	4.3
57.07076	13.8
65.03941	1.9
67.05501	38.8
69.03413	1.2
69.07063	14.9
70.04075	26.6
71.03777	2.5
71.04401	3.5
71.04984	2.8
71.08620	4.2
71.11813	1.9
71.12145	1.7
79.05485	18.7
81.03415	9.1
81.07053	23.3
82.19209	1.0
83.04968	6.0
83.08604	5.2
85.06534	2.4
85.10184	4.2
85.62160	1.1
91.05470	11.3
93.07040	21.1
95.04974	7.7
95.08601	100.0
97.06534	7.6
97.10179	2.3
98.97569	1.1
99.08083	2.7
105.07030	8.9
107.04958	3.6
107.08582	9.3
109.06538	2.3
109.10160	11.2
111.08080	2.4
113.09640	2.8
117.07013	2.5
119.08566	6.0
121.06536	1.5
121.10139	7.3
123.08046	4.2
123.11685	2.4
125.09622	2.4
129.06987	1.2
131.08560	4.7
133.10127	3.0
135.08081	1.5
135.11642	6.0
137.09666	2.0
141.09111	6.3
143.08571	1.3
145.10117	3.1
147.11694	1.6
149.09514	1.4
149.13246	2.3
151.11243	3.0
153.12749	1.3
157.10187	1.4
159.10167	39.3
159.11522	1.6
161.13269	1.2
163.11188	1.6
165.12744	3.9
173.13174	1.3
177.12759	1.8
181.12265	1.9
182.61841	1.1
191.14232	1.3
201.16328	2.1
209.07304	3.1
209.11635	6.3
219.17419	2.6
229.19672	1.5
237.11229	3.9
247.20567	3.3
255.12340	1.3
265.21616	60.1
266.21994	2.1
275.20053	3.6
293.21176	7.1
311.15417	8.3
311.22211	6.5
311.25662	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	311.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.7
55.01868	72.4
55.05512	36.3
56.96562	7.4
57.03426	6.4
57.07068	28.2
61.49105	3.7
65.03919	5.1
66.28437	4.7
67.05502	43.5
67.05833	5.7
69.03431	7.9
69.07060	51.1
70.04079	60.1
71.03762	4.5
71.04411	8.1
71.04989	15.2
71.08628	5.8
71.59738	6.4
74.08823	3.7
79.05486	42.0
81.07055	47.7
83.04971	53.4
83.08604	11.4
85.06509	4.2
91.05480	26.6
93.07037	35.2
95.04948	20.2
95.08605	34.5
97.06528	100.0
97.10168	12.3
99.04436	5.0
99.08085	6.6
105.07039	25.8
107.04941	12.8
107.08579	38.2
109.06512	6.7
109.10132	19.8
111.04424	18.6
111.08073	9.0
113.06013	25.9
113.09631	5.0
114.93992	3.7
117.07018	4.9
119.08573	13.4
121.06529	10.7
121.10133	18.3
123.08089	8.3
123.11710	4.6
125.05996	21.0
125.09622	50.5
128.01653	4.4
131.08534	15.4
133.10136	10.4
134.99738	4.9
135.08038	6.5
135.11688	18.2
137.09608	5.2
139.07513	4.4
139.11174	16.3
143.08580	6.2
145.10110	12.9
147.11533	5.0
149.09634	11.9
149.13222	4.2
151.11137	4.7
153.05547	6.9
153.12756	12.0
155.08490	4.7
157.10130	7.3
159.11726	9.5
161.13330	4.7
163.11183	27.6
167.10677	18.0
169.10052	7.0
171.11661	7.4
173.13248	7.1
177.12778	7.6
181.12218	10.0
187.11058	4.2
189.11221	6.9
191.14322	4.1
197.13307	4.2
199.13249	4.6
200.07251	7.1
209.09810	5.3
209.11723	59.7
211.28380	3.8
237.11179	48.7
247.10674	13.6
255.12206	11.9
275.20013	41.9
293.17831	4.7
293.21140	71.5
311.11923	7.0
311.15549	17.9
311.20050	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	311.2215
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
55.01878	28.2
55.05271	6.8
55.05515	100.0
57.03430	14.0
57.07060	6.6
58.22485	4.8
59.05008	5.4
62.67058	5.3
63.90078	4.9
65.79047	4.9
67.05507	60.5
69.03421	15.1
69.07056	28.9
71.04605	6.8
71.04967	23.0
71.08630	26.1
79.05484	47.4
79.80453	5.0
81.03428	27.7
81.07056	82.3
83.04980	36.7
83.08616	52.1
85.06535	6.5
91.05486	33.0
93.07059	43.0
95.04967	41.7
95.08597	38.4
97.06528	19.0
97.10162	43.2
99.08108	30.1
100.11230	5.2
105.07027	24.6
107.04998	12.2
107.08591	51.8
109.06503	16.1
109.10152	25.2
111.04451	7.5
111.08059	14.9
117.07034	13.1
119.08562	10.7
121.06472	6.2
121.10118	19.9
123.08029	6.1
125.09628	37.0
129.07002	14.8
131.08563	21.0
133.10138	14.8
135.08073	8.6
135.11636	12.3
145.10083	12.3
147.11668	6.5
149.09581	17.1
149.13251	6.7
157.10127	12.1
159.11703	9.1
163.11198	50.1
165.12755	5.9
167.10701	6.3
173.13246	7.4
175.11241	6.1
177.12793	8.1
179.64180	4.9
185.11636	5.9
189.11160	17.3
193.12215	16.5
195.13760	17.8
211.13269	14.3
223.13324	9.2
229.19502	7.7
247.20680	7.9
257.19012	5.8
275.20029	39.9
293.21130	99.3
296.74750	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2213
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03956	3.5
55.01860	10.7
55.05507	52.8
57.03425	10.0
57.07067	24.1
59.04988	3.3
65.03934	2.8
67.05501	61.3
69.03419	7.0
69.07059	40.8
69.37479	12.3
69.37907	17.6
70.04073	42.8
71.04392	6.9
71.04963	7.4
71.08618	14.8
79.05479	33.9
81.03451	3.2
81.07046	56.1
83.04977	13.4
83.08617	27.5
85.02908	5.0
85.06509	6.6
85.10175	5.5
91.05476	25.2
93.07029	37.1
95.04972	15.7
95.08593	48.9
97.02871	4.3
97.06517	11.2
97.10144	16.7
98.20684	5.1
99.04401	4.3
99.08086	13.4
105.07022	23.5
107.04945	13.5
107.08586	25.8
109.06527	8.6
109.10147	27.4
111.04414	16.5
111.08074	3.7
113.09608	4.4
117.07008	10.2
117.07766	2.9
119.08580	18.4
119.57957	2.9
121.06504	9.2
121.10117	20.0
123.08048	5.4
123.11684	8.9
125.09630	5.1
127.01232	4.3
129.06958	6.1
131.08559	12.3
133.10106	23.8
135.08003	4.4
135.11690	13.6
137.09576	8.7
137.13239	3.7
143.08537	5.7
145.10088	10.6
147.04405	9.7
147.08015	3.9
147.11676	8.5
149.09607	9.4
149.13232	6.2
151.11140	5.6
153.12761	6.3
159.11679	7.8
159.67128	3.0
161.13277	3.9
163.11182	9.6
165.12761	5.0
167.10704	5.1
169.10080	4.1
169.12259	5.2
171.05028	3.6
173.13263	4.1
177.12772	6.4
181.00508	7.9
181.12236	4.7
183.00188	10.3
191.10503	3.5
191.14299	3.6
195.13808	6.2
209.11714	17.7
223.13213	4.2
237.11276	13.9
247.20424	14.1
257.19009	7.7
265.21576	8.7
275.20023	59.2
293.21109	100.0
311.15378	13.4
311.22543	6.4
311.25607	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	311.2213
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
55.01867	40.4
55.05509	57.2
57.03436	8.0
67.05503	48.8
69.03413	8.0
69.07065	25.1
70.33970	4.7
70.34303	17.6
71.04971	16.9
79.05492	57.7
81.06592	5.6
81.07053	73.6
83.04986	41.7
83.08603	30.8
91.05486	37.9
93.07046	36.4
95.04963	16.8
95.08602	31.4
97.06516	40.8
97.10171	33.6
105.07030	24.1
107.04978	7.8
107.08586	100.0
109.06577	10.9
109.10169	10.4
111.04465	4.5
111.08080	11.1
113.05974	7.0
115.73644	5.6
117.06989	7.9
119.08585	15.1
121.06491	6.4
121.10114	12.4
123.08047	9.5
123.11666	4.9
125.05992	8.0
125.09638	67.5
129.07094	4.4
131.08575	14.8
133.10118	12.8
135.08067	8.3
135.11688	11.7
139.11130	5.4
145.10164	10.7
147.11678	12.0
149.09631	12.3
153.09102	8.6
153.12688	10.3
157.10249	4.9
159.11731	8.7
161.13281	4.1
163.11195	9.6
177.12772	9.0
181.12228	7.4
186.13676	4.5
187.63490	4.1
189.11226	26.9
205.12250	7.9
213.14825	5.3
215.53508	4.4
223.13286	18.2
257.18875	6.4
275.20020	65.5
293.21109	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2214
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
55.01875	22.4
55.05513	100.0
57.03418	6.4
57.07054	4.7
60.99872	3.4
65.14440	3.7
66.42454	2.9
67.05177	3.9
67.05504	51.2
69.03413	13.2
69.07061	21.9
70.49730	11.6
71.04989	5.9
71.08635	23.9
79.05073	3.2
79.05495	49.0
81.03426	27.1
81.07056	59.7
83.04984	33.6
83.08147	5.9
83.08614	58.2
85.06534	3.8
88.66053	3.1
91.05486	29.8
91.18879	3.6
93.07038	43.3
95.04960	51.8
95.08606	23.3
96.16416	3.3
97.06516	16.3
97.10159	43.0
99.08105	20.5
100.11265	8.0
101.11563	3.4
105.07028	22.2
107.04929	9.3
107.08589	36.3
109.06502	9.1
109.10128	24.2
111.04444	14.0
111.08060	13.1
117.07005	9.4
117.73399	2.9
119.08568	12.1
121.06474	5.7
121.10143	19.3
121.18902	2.9
123.07999	5.9
123.11656	5.0
125.09628	39.2
127.09201	3.7
129.07001	7.6
131.08600	16.2
133.10088	10.1
135.08031	8.7
135.11682	13.2
139.11179	3.2
145.10066	16.0
147.11720	9.3
149.09676	17.0
151.11176	4.1
153.09143	6.8
157.10025	3.8
159.11681	7.4
163.11182	55.8
165.12726	5.1
167.10745	4.9
172.32001	4.2
175.11131	8.7
177.12778	4.7
185.11681	4.3
187.11206	4.2
189.11230	17.9
193.12201	13.0
195.13811	24.0
201.16458	3.4
211.13359	9.2
219.17386	3.8
223.13293	18.6
229.19531	5.2
245.38834	3.3
247.20711	7.6
257.18872	4.1
275.20068	31.9
283.27670	3.7
293.21100	98.7
294.21478	4.1
296.74884	4.9
311.22232	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	311.2212
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03946	4.4
55.01874	11.7
55.05508	77.6
57.03424	4.9
57.07059	3.9
65.03933	2.4
67.05168	2.8
67.05502	40.7
69.03421	9.2
69.07061	18.2
69.81593	9.7
69.82008	3.5
70.04085	11.3
71.04992	5.2
71.08628	21.0
79.05488	38.6
79.93547	2.3
81.03412	23.7
81.07056	44.9
83.04973	24.0
83.08617	46.1
85.02902	2.4
85.06538	3.7
91.05474	20.8
92.06224	2.3
93.07035	27.4
95.04961	42.9
95.08600	19.6
97.06538	8.8
97.10161	33.9
99.08100	20.2
105.07018	14.2
107.04960	9.6
107.08583	29.3
109.06512	7.2
109.10162	16.8
111.04433	13.2
111.08051	11.0
113.09604	2.4
117.07012	6.8
119.08563	9.4
121.06491	4.7
121.10133	12.1
123.08070	4.8
123.11710	4.0
125.09620	34.8
129.06979	4.6
131.08571	8.3
131.73923	2.4
133.10155	10.8
135.08015	7.1
135.11661	12.4
137.09573	2.4
139.11171	3.5
145.10132	12.8
147.11665	10.8
149.09653	12.3
149.13234	2.6
153.09071	5.1
153.12755	2.7
157.10139	4.2
158.16089	2.3
159.11671	4.4
163.11165	43.5
165.12703	4.8
167.10637	4.8
175.11050	5.3
177.12766	5.8
181.12262	3.1
185.11720	5.8
185.39059	2.1
189.11214	18.8
193.12198	13.3
195.13792	14.8
211.13321	8.4
223.13341	13.2
229.19476	3.5
239.18040	3.1
247.20485	4.6
257.19009	5.9
275.20084	30.6
293.21106	100.0
294.21304	3.4
311.22110	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	311.2214
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
55.01878	5.6
55.05497	22.3
67.05507	45.4
69.07061	12.7
69.45428	12.4
69.45847	27.7
71.04977	5.5
79.05492	31.5
81.07059	47.4
83.08606	9.9
86.27110	4.5
91.05479	18.2
91.90236	6.1
93.07060	25.9
95.04945	4.9
95.08600	31.0
97.06538	5.6
99.74897	5.0
105.07015	20.9
107.04962	20.7
107.08604	15.1
109.06527	4.6
109.10146	13.7
118.65529	4.6
119.08559	18.0
121.10076	11.9
123.08064	6.9
123.11681	7.2
125.09628	5.7
131.08588	6.1
133.10130	11.9
135.11656	12.3
145.10112	9.8
147.11673	5.5
159.11743	6.6
173.22923	5.2
187.07625	9.7
275.20157	28.4
292.93369	4.7
293.21271	7.1
311.18231	100.0
311.21317	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2215
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03957	4.0
55.01864	8.1
55.05513	42.0
57.03437	20.2
57.07071	2.2
57.83669	2.0
65.03942	3.5
65.57297	1.8
66.18527	2.3
67.05502	100.0
69.03428	3.8
69.07076	17.2
70.71988	2.0
70.72353	6.8
71.04990	6.6
71.08622	2.8
72.89908	2.2
73.72653	2.5
74.63272	2.1
79.05064	4.1
79.05495	59.5
80.05794	2.2
81.03409	3.3
81.07057	95.7
82.07386	2.2
83.04978	5.6
83.08617	14.7
85.02945	2.5
85.06535	2.7
91.05480	33.2
91.11069	2.4
93.07049	41.9
95.04977	13.3
95.08608	77.6
97.06541	6.8
97.10188	9.0
99.08089	3.6
105.04476	2.6
105.07031	12.1
107.08585	25.5
109.06492	3.9
109.10149	26.3
111.04479	2.6
111.08089	7.8
113.09641	2.3
117.07018	5.1
119.08570	13.7
121.10135	16.9
123.08038	4.1
123.11721	6.3
125.09636	4.1
131.08560	13.2
133.10129	9.6
135.11685	12.6
137.09604	4.5
145.10106	9.6
147.11708	4.4
149.09654	3.8
159.11717	5.9
163.11200	9.8
173.13229	2.5
177.12796	3.1
185.59061	2.6
195.13841	4.4
201.16420	7.4
211.13293	3.4
219.17523	2.8
252.99670	2.3
275.20132	4.7
276.53616	2.7
293.21158	13.4
308.03824	2.5
311.22147	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2215
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
50.27391	3.5
51.61339	4.0
55.01870	8.1
55.05512	62.2
57.03448	34.6
57.07070	35.4
67.05512	69.2
68.05884	3.3
69.06728	6.9
69.07071	96.7
71.04995	4.3
71.08633	40.9
71.36539	3.7
79.05499	44.8
81.07059	83.6
83.04979	10.5
83.08629	56.7
91.05484	20.2
91.60159	3.7
93.07042	61.0
95.04949	10.7
95.08609	65.2
97.06522	15.9
97.10169	24.7
98.20690	5.9
99.08096	30.2
105.06995	19.9
107.08602	32.6
109.06505	5.3
109.10175	32.0
110.76878	3.7
111.08093	8.1
111.11707	5.7
116.70973	3.5
117.03944	4.1
117.07074	5.4
119.08598	12.2
121.10140	38.9
123.11688	8.8
125.09650	6.3
131.08522	8.4
133.10133	19.7
135.11722	21.5
137.13170	5.4
139.11200	7.7
145.10130	8.6
149.13275	12.3
151.11217	10.0
153.12741	4.8
159.11719	11.6
173.13275	6.7
201.16405	11.2
209.11745	14.5
219.17465	12.1
219.21060	6.6
229.74234	5.9
237.11211	14.3
237.22205	4.2
265.21664	37.7
275.20071	28.1
277.91101	4.1
293.21075	16.7
311.22464	6.4
311.25842	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2214
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03962	3.5
55.01885	4.6
55.05300	3.5
55.05506	38.1
57.03425	5.5
57.07049	7.8
67.05166	5.5
67.05498	85.4
69.03406	7.0
69.07066	20.6
69.79551	20.7
70.04076	31.0
71.04390	5.3
71.04967	11.3
71.08620	42.6
79.05490	23.3
81.03401	9.8
81.07049	38.3
83.04982	31.3
83.08613	17.8
85.02910	4.3
85.06528	6.2
91.05468	24.7
91.77681	3.1
93.07040	39.0
95.04956	21.5
95.08595	62.2
97.06507	8.1
97.10166	5.8
98.21380	7.2
99.04449	4.4
99.08076	33.9
105.07035	13.9
107.04944	4.5
107.08594	12.9
109.06493	7.5
109.10143	49.3
111.04394	5.3
111.08112	4.6
113.05948	4.2
117.07011	7.0
119.08559	28.1
121.06483	5.8
121.10124	17.2
121.59750	3.5
123.08086	6.6
123.11639	4.1
125.09626	9.8
127.11149	5.1
131.08524	9.5
133.10095	19.2
135.11674	10.7
137.09592	16.9
139.11154	57.3
143.08531	5.8
145.10107	7.4
147.11636	6.5
149.09587	9.4
149.13295	3.8
151.11168	27.5
153.53223	3.1
155.10675	38.4
157.10083	5.5
159.11665	7.3
161.09581	10.0
165.12677	6.4
173.11722	26.7
177.12724	10.4
179.10638	6.5
191.14293	5.3
195.13799	9.2
209.85611	3.3
223.13155	4.4
227.41634	3.9
247.20743	5.9
257.19012	10.1
265.21576	8.0
275.20041	40.8
279.20743	4.2
293.17783	4.8
293.21088	100.0
294.21439	5.5
311.15408	4.2
311.22351	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2213
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
55.01877	13.3
55.05512	51.4
57.03425	22.3
57.07066	19.3
67.05495	76.0
69.03438	7.6
69.07057	51.1
69.37359	62.8
70.04066	100.0
71.04414	10.6
71.04978	24.8
79.05486	56.4
81.07052	89.7
83.04976	23.4
83.08611	26.3
91.05472	44.9
93.07047	71.9
95.04941	16.6
95.08607	64.5
97.06535	27.3
97.10171	34.9
99.08074	9.6
105.07039	32.1
107.04933	12.2
107.08592	46.0
109.06505	17.6
109.10155	34.1
111.04438	14.2
111.08075	19.7
112.75845	6.5
117.07020	17.0
119.08578	28.2
121.10146	51.0
123.08053	8.2
125.09628	21.2
131.08566	26.3
133.10123	30.3
135.08040	8.8
135.11708	12.8
137.09660	9.5
139.11183	35.3
141.09111	6.8
143.08449	8.7
145.10030	16.2
147.07924	7.0
147.11685	11.0
149.09593	16.8
153.05473	9.3
153.12769	8.5
156.98676	7.2
157.10098	10.7
159.11700	13.7
163.11264	19.8
173.13242	8.3
187.14755	7.4
189.11197	9.8
201.16368	7.5
203.12775	28.3
209.11736	50.9
237.11208	41.8
257.19019	14.5
268.89334	6.9
275.20013	93.8
293.21036	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2214
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
55.01865	2.0
55.05260	1.1
55.05506	16.2
57.03425	0.8
57.07063	2.7
64.50946	0.6
67.05500	7.6
69.03416	1.7
69.07066	4.5
70.04080	5.9
70.05872	3.1
71.04388	1.1
71.08629	10.5
79.05487	6.4
81.03404	1.0
81.07050	6.7
83.04962	2.6
83.08611	8.2
91.05469	3.0
93.07042	5.1
95.04962	3.7
95.08598	3.6
95.15499	0.6
97.06545	1.1
97.10163	12.9
99.08077	7.0
105.07014	2.0
107.04945	2.9
107.08591	4.7
108.05740	1.5
109.06499	1.7
109.10136	1.7
111.04432	1.8
111.05285	0.7
111.08071	1.1
117.07003	1.6
119.08552	1.5
121.06507	6.3
121.10124	1.4
123.08016	0.7
125.09618	6.7
131.08566	0.8
133.10112	1.1
135.08047	2.2
135.11737	0.9
143.08632	0.8
145.10181	0.6
151.11189	1.4
153.05490	0.9
153.12724	0.7
160.61787	0.6
163.11165	0.8
164.82591	0.6
165.12665	0.9
177.12733	2.2
189.11232	2.8
207.47977	0.6
209.11685	5.1
221.92200	0.7
237.11278	3.1
237.14687	1.0
257.18915	1.3
274.77362	0.6
275.19998	6.2
293.21082	100.0
294.21472	2.2
311.15219	2.7
311.25583	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2214
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03927	2.2
54.36949	2.0
54.50285	2.6
55.01870	18.1
55.05515	26.3
57.03432	5.9
57.07073	16.8
59.04974	2.9
67.05175	3.4
67.05505	38.4
69.03408	4.6
69.07066	23.6
69.57551	16.5
70.04078	100.0
71.03773	9.6
71.04413	14.6
71.04978	8.4
71.08630	5.9
72.08125	2.9
77.92199	2.4
79.05486	35.2
79.85116	2.0
81.03415	2.8
81.07051	49.8
83.04977	20.2
83.08617	21.7
89.83437	2.0
91.05048	2.1
91.05489	21.9
93.07036	30.4
95.04968	9.1
95.08076	2.2
95.08611	27.0
97.06551	23.8
97.10164	20.3
99.08077	5.6
105.07026	21.8
107.04929	5.8
107.08588	50.8
109.06509	7.6
109.10158	12.6
111.04445	9.8
111.08063	4.8
113.05984	7.3
117.07026	4.3
119.08562	10.2
121.06457	2.5
121.10143	10.8
123.08081	4.1
123.11663	3.7
125.05977	5.2
125.09627	40.5
127.01243	4.8
128.01674	3.2
129.06941	3.8
131.08556	8.7
133.10127	12.8
135.08040	4.6
135.11678	7.5
139.11157	3.7
145.10101	4.4
147.11682	7.1
149.09599	8.1
151.11192	2.2
153.05449	4.4
153.12750	3.7
159.11696	3.6
161.13245	4.6
163.11151	12.2
167.10681	2.9
173.13258	2.3
177.12717	4.9
181.12228	6.5
189.07309	2.3
189.11180	11.9
190.08652	3.9
191.10587	4.6
193.12242	3.1
195.32838	2.5
202.26637	2.8
205.12245	3.5
207.08511	3.0
208.47032	2.3
209.11742	31.1
211.13251	3.5
213.14812	2.6
223.13286	9.0
231.58559	2.6
237.11227	27.6
243.50076	2.5
255.12283	3.0
257.19000	3.6
275.20056	33.1
293.21069	28.4
311.15237	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2214
Annotation	Dihydroalbocycline
Peak:m/z	Relative Intensity
55.01867	2.8
55.05509	13.0
57.07062	7.9
58.06598	17.1
59.05004	2.4
67.05501	16.3
67.98230	1.8
69.03409	2.6
69.07066	12.4
70.04075	26.1
71.03766	2.2
71.04409	3.1
71.04964	4.2
71.05302	2.3
71.08629	22.2
79.05470	10.5
81.07053	18.1
83.04967	2.6
83.08613	6.1
91.05472	15.6
92.05817	2.8
93.07035	9.8
95.04959	6.1
95.08596	9.7
97.10143	7.1
99.08086	6.2
105.07030	9.5
107.04967	2.8
107.08597	7.8
109.06506	3.5
109.10154	6.1
114.09164	2.1
119.08591	3.9
121.06493	5.6
121.10140	4.0
125.09600	3.5
131.08583	2.5
133.10136	4.5
135.08031	2.0
135.11694	3.3
143.08575	2.3
143.25648	1.8
145.10034	2.3
149.05974	7.5
158.97610	2.1
165.12778	5.3
177.12732	3.2
191.10712	2.6
209.11728	7.1
210.69556	2.3
237.11182	8.1
255.12285	2.7
266.99255	6.3
275.20087	7.6
293.21085	100.0
311.15359	7.9
311.26065	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	311.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36198	0.8
55.01855	1.3
55.05507	6.4
57.03419	3.3
57.07056	1.1
66.78676	0.9
67.05508	13.6
69.03410	1.2
69.07071	5.0
69.61087	5.8
71.05001	1.0
79.05488	9.8
81.06592	1.0
81.07053	13.6
83.04961	2.2
83.08601	2.9
91.05486	5.7
93.07024	8.0
95.04966	2.5
95.08605	13.8
97.06528	1.6
97.10137	1.1
100.11215	1.3
105.07020	4.0
107.04930	4.0
107.08595	5.2
109.06557	1.7
109.10143	5.0
111.08089	2.6
111.84799	0.8
117.07003	1.7
119.08568	4.1
121.10168	4.8
123.11653	1.4
125.09580	1.2
131.08577	2.1
133.10114	3.1
135.11586	2.0
145.10074	1.8
149.09641	1.3
159.11601	1.1
163.11177	0.9
183.08018	1.0
191.14354	1.1
201.16376	1.2
255.14441	3.2
257.16663	1.1
275.19934	1.5
293.20883	1.9
311.18271	100.0
311.21768	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	311.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.9
55.01868	2.9
55.05514	9.5
57.03432	7.4
65.03922	1.8
67.05502	31.5
69.07071	6.0
69.42377	4.6
69.42799	7.3
70.06567	1.7
71.04996	2.2
77.00902	1.6
78.00967	1.4
79.05495	20.0
79.28442	1.3
81.07063	31.8
83.08608	3.3
87.58147	1.3
89.06189	1.2
91.05481	10.7
93.07053	14.4
93.45587	1.6
95.04970	5.6
95.08610	26.1
97.06529	2.8
105.07033	5.1
107.04926	3.3
107.08613	8.3
109.06507	2.7
109.10155	8.9
113.42658	1.5
116.86308	1.4
117.06998	3.4
119.08575	4.0
121.06509	1.6
121.10154	7.4
123.08054	2.4
123.11661	1.7
131.08633	4.3
133.10155	4.5
134.07146	1.5
135.11681	3.6
143.64754	1.5
145.10136	4.5
155.33731	1.5
159.11714	2.7
169.45279	1.7
183.08014	2.0
190.61786	1.7
237.14886	4.6
255.14388	9.6
311.18314	100.0
311.22083	7.7
312.18738	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	311.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.05517	0.6
56.96552	2.0
57.34262	0.5
65.44462	0.6
67.05505	0.9
69.03401	1.0
70.06589	3.1
71.04976	0.6
75.96754	0.6
77.03925	0.8
79.05481	2.5
81.07049	1.2
84.04483	0.7
84.08120	1.6
84.61755	0.6
85.02890	1.0
86.09678	1.1
87.04438	0.8
89.48234	0.6
91.05442	2.8
93.07031	0.9
95.04940	2.3
95.08600	1.0
96.32230	0.5
97.02893	0.5
98.97590	1.1
103.05484	1.0
105.07005	1.8
107.04944	62.7
107.08565	0.6
107.93202	0.6
108.05264	1.4
109.06557	0.9
116.98607	1.5
117.06969	0.7
118.06528	5.2
119.04983	0.7
119.08549	1.1
120.08100	0.9
121.06461	1.0
121.10091	1.3
122.03727	0.7
123.04427	0.7
128.98643	0.7
129.06944	0.9
130.06514	100.0
131.04938	2.4
131.06860	2.1
131.08513	0.9
132.08080	1.7
133.02774	1.3
137.05966	4.3
143.07274	1.0
144.08064	7.3
145.06445	0.8
146.05997	19.6
147.04405	0.8
149.05971	1.2
150.06793	1.3
151.03873	1.6
154.06502	2.6
155.07289	0.6
156.08195	0.7
157.06540	0.6
158.06027	4.2
159.09172	1.4
161.05981	1.0
161.13240	1.7
169.06516	1.0
170.06018	2.1
175.03926	0.9
176.10649	0.9
182.06007	0.9
185.84084	0.6
187.07457	1.3
188.07051	33.8
190.07741	0.7
191.07191	1.5
191.08684	1.4
192.07864	0.6
200.07050	3.0
205.09723	10.9
206.09669	9.1
207.06412	1.0
216.08081	0.8
217.08893	0.7
219.08005	1.2
220.07474	0.9
221.04326	0.6
222.09135	2.3
229.25732	0.7
230.09744	0.7
233.08296	1.6
234.09111	21.0
235.09711	1.9
236.10773	1.0
237.02852	1.4
248.10617	4.5
251.10606	1.9
252.09631	1.6
261.09131	1.0
279.10269	0.8
294.11221	31.6
295.11536	1.2
295.75858	0.6
309.07614	0.8
311.05569	0.9
311.13092	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	311.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01871	0.5
55.05505	0.8
56.96569	1.3
57.03439	0.6
57.07067	0.4
62.14041	0.3
67.05498	0.7
70.04070	0.4
70.06590	0.8
71.04972	0.4
71.60191	0.5
74.97610	0.4
79.05495	1.9
80.04997	0.7
81.07059	0.9
82.06579	1.0
83.08608	0.4
84.64692	0.3
85.02946	0.4
86.06080	0.3
91.05477	1.4
93.07049	1.4
94.06559	0.6
95.04974	2.1
95.06085	0.4
95.08594	0.7
98.97590	0.9
103.05442	0.4
105.07030	0.8
107.04951	100.0
108.05288	1.6
108.08118	0.8
111.08080	0.4
115.05469	1.3
116.98598	1.2
117.05769	0.5
117.07017	1.3
118.06532	12.6
118.42223	0.3
119.06918	0.5
119.08595	0.4
120.08094	1.0
121.06515	3.2
121.10111	0.5
122.06844	1.7
124.07593	0.3
126.78377	0.3
129.07056	0.3
130.06523	2.1
132.08060	1.9
134.99643	0.6
137.05934	1.6
142.06506	1.5
143.07307	1.2
144.04352	0.4
144.08096	8.5
146.06004	40.2
147.06319	1.0
156.58084	0.4
159.09143	1.4
160.07585	0.5
161.05891	0.5
164.07111	0.4
170.05989	3.2
173.05992	0.4
187.07549	0.4
188.07059	73.3
189.07343	1.9
190.07631	0.4
191.08618	0.5
191.58081	0.3
199.03909	1.0
201.05469	1.4
205.09714	1.4
217.04970	0.5
219.07965	0.7
224.16423	3.6
227.07281	0.4
232.16914	0.5
235.07486	0.4
241.12309	0.5
248.16324	0.4
250.18011	0.5
251.10742	0.9
252.09470	0.7
267.00113	0.6
267.20551	1.1
268.15482	0.4
279.10184	1.0
283.13101	0.5
294.11237	17.7
294.16440	0.6
295.11386	0.9
311.05490	1.3
311.12619	1.9
311.20572	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	311.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19091	1.0
58.56370	0.9
58.59297	1.1
68.76859	1.0
70.93298	1.8
70.93619	1.7
78.32166	0.9
79.05505	1.4
95.04973	1.9
107.04945	84.0
108.05306	1.3
115.05460	1.5
117.07063	1.5
118.06530	14.3
130.06517	17.4
132.08098	3.3
137.05994	4.1
142.06514	1.2
143.07382	2.0
144.08075	9.2
146.05998	54.0
147.06416	2.4
159.09206	4.5
170.06053	2.4
184.76097	1.1
188.07048	100.0
189.07408	2.2
191.08620	1.7
205.09711	31.7
206.09760	1.9
207.00201	1.0
219.08110	2.5
234.09198	2.9
236.46455	1.0
251.10672	3.2
279.10104	2.4
286.99847	1.1
294.11267	5.4
311.12943	2.0
334.50003	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.2
53.03936	0.4
53.34742	0.1
55.01858	0.2
55.05497	0.4
56.96563	0.8
57.03421	0.2
64.66003	0.1
65.03920	0.2
67.05511	0.6
69.03440	0.1
69.07066	0.5
69.98779	0.7
70.04074	0.1
70.06602	0.2
71.04982	0.1
72.08134	0.4
77.03875	0.3
79.05479	1.5
79.70966	0.1
81.03407	0.3
81.07049	0.6
83.08626	0.3
85.02905	0.2
86.09725	0.1
91.05472	0.9
93.07047	0.5
95.04970	1.4
95.06074	0.3
95.08615	0.4
97.06619	0.1
98.97584	0.4
103.05470	0.3
105.04488	0.2
105.07033	0.4
105.62015	0.1
107.04949	100.0
108.05280	1.6
109.06519	0.3
109.10146	0.3
115.05465	1.0
116.98631	0.4
117.05736	0.2
117.07004	1.0
118.06534	12.7
119.06851	0.2
119.08560	0.2
121.02847	0.3
121.06524	0.4
121.10102	0.2
122.03161	0.2
129.07056	0.2
130.06523	6.3
132.08086	1.6
133.10168	0.2
134.99658	0.3
135.08113	0.2
137.05980	0.3
142.06499	1.2
143.07266	1.3
144.04451	0.3
144.08078	8.7
145.06528	0.3
145.08389	0.2
145.10057	0.2
146.06000	39.6
147.06331	0.6
150.99107	0.3
151.31876	0.2
155.06012	0.1
157.06427	0.2
158.05974	0.2
159.08136	0.1
159.09187	1.2
160.07622	0.6
161.05940	0.2
161.09610	0.2
170.05981	2.9
171.04410	0.2
173.05830	0.1
174.99184	0.2
175.03889	0.3
181.10094	0.1
187.07443	0.2
188.07054	76.4
189.05580	0.3
189.07387	1.8
190.13326	0.1
191.08667	0.2
199.03880	2.0
200.07100	0.2
201.05537	0.2
205.09750	1.7
206.09628	0.4
213.05499	0.4
217.04893	1.1
219.08060	0.2
222.09096	0.2
227.07047	0.3
234.09076	1.1
236.10594	0.3
248.10750	0.3
251.10800	0.2
265.13339	0.4
267.00272	0.3
279.09714	0.2
283.13211	0.3
293.11276	0.2
294.11230	18.4
295.11581	0.9
311.12744	1.0
311.19955	0.4
329.12650	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.5
55.05498	2.1
67.05483	3.6
69.07050	1.9
70.04057	3.3
70.06567	4.6
70.07096	6.4
71.04948	1.7
72.08110	1.4
72.93786	1.7
73.02878	2.2
79.05459	6.0
81.07021	4.0
84.08126	2.3
85.02865	1.2
86.09679	2.7
91.05476	12.5
93.07013	1.5
94.04150	4.8
95.04961	2.5
95.08588	2.6
98.21751	1.2
103.05429	4.8
105.03343	2.5
105.07035	12.2
107.04960	14.1
107.08576	2.5
108.08110	2.8
109.06496	4.6
115.05430	4.0
116.98660	1.6
117.06982	1.6
119.04889	1.8
119.08572	1.9
120.08086	1.9
121.02829	2.9
121.06473	3.1
121.10120	2.0
122.03647	10.5
125.07129	1.2
128.06218	1.3
129.06972	5.3
131.04887	3.3
133.02840	11.3
133.06464	11.6
135.04427	1.4
137.05968	100.0
141.06900	1.4
143.04871	1.2
143.06010	1.2
144.05673	3.5
145.06454	5.1
147.04385	1.7
147.07930	1.9
149.06009	6.6
151.07492	2.2
153.06990	1.6
155.04880	7.1
156.05612	1.5
157.06448	6.1
159.08040	9.1
161.05975	20.7
161.13231	1.6
163.07481	1.4
165.05431	3.6
165.06958	4.4
168.05888	1.3
169.06488	1.5
172.05167	2.2
175.07454	3.8
177.05453	1.6
178.07745	2.1
179.08565	1.5
187.07518	28.5
189.06963	6.2
189.08618	1.2
190.07744	20.6
191.08539	43.8
192.08986	1.7
193.06311	1.5
202.07767	3.5
203.08409	2.5
205.06389	2.6
207.08073	6.5
208.08856	7.1
218.07231	14.7
219.08020	55.3
220.08615	5.4
221.06012	2.0
221.09468	2.7
231.08138	1.7
233.09511	2.6
235.07527	8.4
236.08295	12.7
237.08913	3.0
247.07507	22.0
248.08195	4.1
249.09167	1.8
251.10667	74.8
253.08578	6.0
261.09106	4.1
263.07065	1.6
264.07822	9.9
265.08472	3.3
267.16873	2.0
278.09546	2.2
279.07050	2.9
279.10144	57.5
280.10809	5.6
281.08078	7.0
281.11560	2.4
293.15714	1.4
296.10394	6.7
309.11292	1.9
311.12704	54.0
311.16635	6.7
311.19788	3.7
312.13217	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	311.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
53.85627	0.9
55.01862	3.1
55.05510	5.1
56.96564	1.7
57.03420	3.3
60.08148	0.9
65.03923	1.8
67.05507	8.6
67.09269	1.0
68.65114	0.9
69.07058	4.1
69.73769	6.0
70.06580	2.9
71.04986	4.1
72.08144	3.7
76.97629	0.9
79.05499	8.4
81.03415	2.6
81.07059	9.0
82.06581	1.0
83.04964	3.6
83.08598	1.8
84.08116	3.2
85.02911	1.3
86.09704	7.1
91.05482	10.1
93.07045	7.0
94.04182	3.1
95.04956	4.0
95.08604	5.6
97.06521	3.3
97.10138	1.5
99.04462	1.0
102.04704	1.6
102.36870	0.9
103.05466	5.1
104.10724	3.7
105.03403	0.9
105.07040	7.5
107.04957	25.8
107.08601	4.6
109.06544	7.5
109.10142	1.3
110.07205	1.3
115.05463	5.7
116.98540	1.0
117.05706	0.9
117.07030	5.4
119.04953	2.6
119.08552	1.6
120.08096	2.0
121.02863	4.9
121.06477	4.0
121.10155	1.3
122.03666	8.9
123.04423	1.3
123.08108	1.1
124.99998	2.4
125.09645	1.4
128.06221	4.0
129.07005	14.6
129.10243	2.1
130.04143	2.6
130.06523	7.1
131.04927	4.9
131.08551	2.7
131.16544	0.9
133.06500	5.0
133.10114	2.9
135.04402	1.6
135.08044	2.1
135.11679	1.8
137.05977	100.0
138.06326	2.2
138.52945	1.9
141.06952	3.6
145.05423	1.3
145.06493	19.6
145.10104	1.5
146.03636	2.3
146.05989	2.0
147.04367	5.1
147.08011	1.3
149.01244	1.1
149.05949	2.2
149.13237	1.7
150.06761	1.5
157.06496	28.9
159.08058	2.5
159.11670	1.9
161.05974	11.9
162.06757	6.5
165.07059	2.7
169.06502	21.0
173.13287	1.7
175.07587	1.1
177.05397	1.1
177.12892	1.1
178.07784	2.8
179.08580	1.1
181.06499	2.1
184.07318	4.3
187.07585	5.5
188.06958	4.5
189.06995	5.1
190.07718	8.6
191.08528	2.6
191.14215	1.1
194.07335	1.8
202.07826	4.5
202.11661	1.1
203.08572	7.1
204.09273	3.2
205.06387	1.4
205.10088	8.3
206.07230	1.9
207.08122	2.2
215.08569	12.5
216.09039	1.3
218.07225	9.7
219.08022	6.7
219.13800	4.9
220.08774	1.6
221.09682	6.6
223.07654	4.7
229.07556	1.1
231.08047	4.2
232.08832	3.2
233.09636	17.2
234.06886	1.9
234.09419	2.1
235.07622	2.0
236.08127	1.6
237.09158	2.3
237.14783	3.0
238.65259	1.2
240.09885	1.0
241.08537	1.3
243.08061	1.6
244.08702	2.0
246.06700	1.1
247.07614	3.2
249.09186	7.2
250.09816	1.6
251.07031	3.0
251.10728	2.2
260.08325	1.5
261.09106	27.9
262.09988	1.0
265.08603	1.7
265.12234	2.3
266.09387	2.6
279.10092	3.3
281.11713	9.7
293.08392	2.2
293.11667	6.7
294.11316	3.0
311.12744	3.9
311.18335	7.1
311.23688	1.0
312.12366	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
53.13522	1.0
54.64009	1.0
55.01862	2.4
55.05506	4.3
56.65220	1.0
56.96553	4.5
57.03393	1.2
62.60454	1.0
65.03938	1.2
67.05516	5.8
69.07078	1.9
70.06577	4.4
70.87858	1.0
70.88194	2.7
71.04971	1.7
72.08141	2.7
73.72823	1.1
79.05490	8.7
80.56557	1.1
81.03394	1.7
81.07044	7.8
83.04986	2.2
83.08605	2.1
84.08144	3.1
86.09697	7.2
91.05492	10.6
93.07043	5.4
94.04163	3.7
95.04963	3.6
95.08581	4.3
99.08100	1.5
103.05501	5.3
105.07041	6.7
107.04955	30.9
107.08604	3.2
109.06483	5.3
109.10138	2.9
115.05454	7.0
116.98605	1.5
117.07030	5.3
118.06560	1.7
119.04927	3.0
119.08552	1.7
120.08089	2.4
121.02851	3.4
121.06502	4.1
121.10101	1.3
122.03658	7.4
124.99992	1.8
125.09637	1.4
128.06207	3.3
129.07008	14.1
130.04121	2.2
130.06535	13.9
131.04935	5.7
131.08578	2.8
133.06473	4.4
137.05977	100.0
138.06334	1.7
141.06996	4.9
144.08102	1.2
145.06480	21.1
146.03648	3.3
146.05943	6.1
147.04407	4.7
147.07950	1.2
148.31281	1.2
149.05969	3.3
149.13257	1.5
157.06503	25.6
161.05965	12.7
162.06776	7.7
165.06969	3.1
169.06500	21.1
173.13173	2.2
178.07733	2.7
179.08617	1.8
184.07355	3.4
187.07532	4.7
188.07043	10.0
189.07047	3.8
190.07755	8.3
191.08516	2.6
191.14328	1.4
194.07222	1.5
195.07938	1.3
202.07794	3.5
203.08575	7.2
204.09218	2.0
205.10028	9.1
206.09738	1.4
207.08134	2.0
215.08545	15.2
218.07248	9.3
218.24603	1.3
219.08055	5.0
219.13814	1.4
221.09541	6.2
223.07581	7.2
231.08084	5.0
232.08813	3.2
233.09608	16.8
234.06781	1.7
234.09187	2.6
235.07506	1.8
237.09065	2.3
238.65260	1.6
243.08089	2.6
247.07526	2.2
249.09229	6.6
250.09915	2.5
251.07040	4.6
251.10612	1.7
261.09116	22.7
262.09729	2.2
265.12274	1.9
266.09399	1.4
279.10159	1.9
281.09116	1.3
281.11792	9.9
293.08267	2.7
293.11728	5.8
293.21103	1.4
294.11209	4.5
311.09329	2.3
311.12671	1.5
311.18420	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	311.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.8
55.01863	3.6
55.05504	6.3
56.96566	7.3
57.03421	1.9
57.07068	2.3
67.05501	11.3
68.32319	0.7
68.67896	0.7
69.03418	1.5
69.07066	11.0
70.04075	29.9
70.06585	1.1
71.03771	1.4
71.04399	2.7
71.04984	3.6
71.59750	0.9
71.60097	0.8
71.95213	0.7
72.08142	1.2
74.97570	0.8
79.05489	13.0
81.03398	3.1
81.07053	11.7
81.95829	0.8
83.04972	2.0
83.08611	3.3
84.08121	1.0
85.02922	0.8
85.06541	2.8
90.94809	1.1
91.05481	12.1
92.05777	0.8
93.07042	11.8
94.06539	1.0
95.04964	7.4
95.08601	9.6
97.02893	0.8
97.06510	1.3
97.10143	2.1
98.97560	4.6
99.08083	3.5
103.05472	1.9
105.04504	1.2
105.07024	5.8
105.47742	1.1
107.04951	100.0
107.08592	4.7
108.05276	1.1
108.08073	1.3
109.06503	2.0
109.10167	6.0
111.08054	1.4
111.11710	0.9
111.66522	0.8
115.04786	0.8
115.05437	4.1
116.98587	3.8
117.03309	0.9
117.07038	2.0
119.04945	1.6
119.08585	3.6
121.02868	0.9
121.06470	4.0
121.10132	4.8
122.03627	1.2
122.09705	1.0
123.04396	1.8
123.11704	2.3
128.06229	3.6
129.06995	6.5
131.04918	3.0
131.08574	3.7
133.02832	3.1
133.06459	1.6
133.10115	3.2
134.99615	3.9
135.04427	1.3
135.08060	1.5
135.11653	1.9
137.05962	14.7
139.78314	0.8
141.06995	1.7
143.04898	1.3
144.05681	5.1
145.06474	8.6
145.10094	1.4
147.04398	2.8
147.08032	1.2
147.11725	2.3
149.05946	1.8
149.09628	3.2
150.12746	1.2
151.11133	0.8
151.13077	0.8
153.06985	1.7
157.06471	7.6
158.99660	1.1
159.04390	3.5
159.08058	1.6
161.02371	3.7
161.05939	1.5
161.09608	0.8
163.03899	3.4
163.07550	1.1
163.11203	1.3
165.05540	1.0
165.06947	1.5
167.08604	1.0
169.00296	1.1
169.06442	2.2
171.04384	1.4
171.08014	1.8
171.11749	1.0
172.05209	6.3
173.02299	4.1
173.05992	3.7
174.06752	3.1
174.99084	1.1
175.03943	1.9
175.07559	1.9
177.00743	1.2
178.07809	1.3
179.08569	1.3
181.06491	4.7
183.07996	1.7
185.06021	2.4
187.04044	4.7
187.07536	44.5
188.08141	1.5
189.07060	1.7
189.09085	6.0
190.07777	1.8
191.07082	1.0
191.08678	1.2
193.00261	1.5
195.07983	2.7
197.05969	2.1
198.06784	1.2
199.03885	8.9
199.07547	3.1
201.05492	1.0
202.07726	1.6
203.08591	3.4
205.06392	1.2
205.10107	3.3
206.07367	1.2
207.08061	3.3
208.08839	0.9
209.05962	2.2
210.06738	3.4
213.05464	10.6
213.09216	1.0
215.06696	1.6
215.08556	5.9
217.05035	2.2
217.08621	5.6
218.07253	8.8
219.08043	3.1
221.09628	5.5
223.07571	2.2
226.06189	2.4
231.07979	3.8
232.08812	3.3
233.09589	12.5
234.06734	2.9
235.07559	4.3
236.08192	1.2
237.00720	1.1
237.09065	1.3
240.07761	3.3
241.08585	18.5
243.08679	0.9
244.09200	1.1
246.06856	1.5
247.07549	2.9
248.08336	2.0
249.09122	7.8
249.11713	0.8
249.12753	1.0
250.09853	3.1
251.07071	3.0
251.10814	1.7
252.07555	1.1
253.08566	3.2
261.09097	18.1
262.10046	3.2
263.07034	2.6
263.10464	1.8
265.08612	1.7
265.12225	1.5
266.09344	7.9
267.00220	3.5
267.10059	2.7
267.13763	6.4
267.16916	2.4
267.21542	9.0
269.12338	1.2
275.10577	2.1
275.17307	1.0
275.20065	2.2
277.08694	1.2
278.09457	5.7
279.10312	1.2
281.11713	13.0
283.13272	3.4
285.01260	1.2
288.11957	1.2
293.11661	16.7
293.21091	1.4
294.12051	0.8
311.05606	1.4
311.09103	1.2
311.12741	17.6
311.16028	3.7
311.19974	2.9
311.23856	6.1
311.29196	3.8
317.06580	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.01866	1.9
55.05508	5.9
56.05031	2.6
56.96560	2.7
57.03424	4.3
57.07076	1.1
58.99568	1.5
65.03934	1.1
67.05500	13.7
69.07073	2.3
70.04081	1.0
70.06581	3.7
70.09873	4.3
72.08153	3.0
79.05494	15.8
81.03442	1.4
81.07059	11.9
83.04977	3.7
83.08607	2.0
84.08130	3.5
85.01143	5.0
86.09703	3.3
91.05480	16.6
93.07051	13.6
95.04977	7.6
95.08614	7.5
97.06526	2.4
97.10200	1.6
100.11292	1.5
102.03773	12.3
102.05527	7.2
103.05467	2.6
104.10745	2.4
105.04546	1.0
105.07008	8.4
107.04955	100.0
107.08578	4.7
107.46446	1.1
108.05307	1.3
109.06499	4.8
109.10133	3.9
110.89178	0.9
115.05463	2.9
116.01661	1.8
117.07020	8.6
119.04967	1.8
119.08585	7.4
121.02849	2.0
121.06507	5.7
121.10104	2.4
123.04431	1.1
123.08032	1.3
123.11732	1.4
125.00073	1.2
128.06236	2.3
129.06998	4.5
131.04932	7.0
131.08549	8.8
132.05716	4.4
133.06487	3.1
133.10114	1.7
135.08043	2.2
137.05968	3.3
137.09724	1.1
145.06500	4.1
145.10072	4.5
147.04346	1.1
147.08052	6.9
149.05969	2.8
149.09642	1.8
153.06981	1.1
155.08574	1.9
157.06424	1.4
159.08014	1.7
159.11658	1.7
160.05206	3.8
161.05991	4.2
163.11238	1.2
173.13237	9.6
175.06035	2.2
175.07552	41.4
176.07912	1.2
177.09192	1.9
178.07793	2.1
183.11624	1.7
184.07336	1.4
187.07533	2.9
188.03798	2.4
188.07031	1.3
191.08543	2.0
191.14313	8.5
193.10205	2.1
201.12752	3.6
202.07814	3.3
203.08575	3.6
205.06441	16.5
205.08371	2.0
207.08154	2.3
214.93893	1.5
215.08525	1.9
218.07286	1.6
219.07986	2.1
219.13802	13.7
221.09615	10.5
231.07932	2.6
233.09607	3.0
234.09792	1.2
235.07477	1.9
237.14877	2.0
243.08110	1.2
249.09103	6.5
251.07140	1.9
251.10600	1.3
255.90660	0.9
261.09106	5.6
262.09842	1.4
266.09131	1.4
267.10068	1.1
279.10168	1.3
281.11612	4.9
293.11728	3.3
301.66425	0.9
311.12869	5.4
311.18442	12.3
312.12408	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.4
55.05499	7.8
56.96557	4.3
57.03435	5.1
57.06166	2.0
61.02901	2.3
67.05500	14.2
69.03403	2.6
69.07074	6.0
71.04955	4.2
71.58432	2.6
72.08130	4.5
74.05484	2.4
79.05490	14.8
81.03401	3.1
81.07052	15.8
83.04952	2.4
83.08599	3.1
84.08115	3.0
86.09695	4.5
88.98518	2.2
91.05491	13.6
92.58531	2.4
93.07038	12.3
94.04179	6.1
95.04963	13.0
95.08586	8.6
97.06526	3.8
97.10142	2.8
99.08072	4.5
103.05462	6.0
105.07025	9.9
107.04957	100.0
107.08585	8.2
109.06507	7.6
109.10171	5.0
111.04485	2.2
112.79400	2.2
115.05441	6.1
117.07000	6.2
119.04925	5.0
119.08564	5.9
121.02833	7.6
121.06520	3.9
121.10125	7.4
122.03654	6.2
123.04427	3.8
123.08128	2.6
128.06261	4.6
129.06992	17.6
131.04901	12.8
131.08586	3.2
133.06529	2.8
137.05980	74.0
141.06955	3.9
145.06479	15.1
145.10126	3.4
146.03705	2.9
147.04405	4.1
147.11609	3.2
149.05925	3.2
150.06760	3.6
157.06473	34.6
159.08043	4.7
161.05983	7.6
162.06737	7.4
163.11121	3.0
165.09140	2.2
169.06494	11.4
171.08000	2.9
171.11514	2.8
172.05164	5.4
173.13329	3.8
174.06746	3.6
178.07814	2.7
181.06496	3.7
183.08025	2.8
187.07555	22.9
189.07106	4.8
190.07820	6.8
191.08469	4.7
195.08141	3.7
202.07713	3.2
203.08609	6.8
205.10121	9.5
207.08141	3.8
208.08722	2.6
215.08540	12.9
217.08601	5.3
218.07249	11.2
219.08052	4.0
219.92204	2.1
220.08798	2.9
221.09628	9.0
221.53911	2.1
223.07629	4.7
231.08095	3.9
233.09636	20.5
234.06726	2.7
235.07434	5.5
236.08281	4.0
238.91837	2.2
241.08681	7.5
247.07565	4.2
249.09102	8.8
251.10675	16.5
253.08553	3.2
255.10858	2.4
255.27997	2.5
261.09097	29.6
262.09760	3.5
266.09372	3.3
275.19797	6.3
278.09277	3.1
279.10062	3.5
281.11844	13.2
293.11826	8.0
311.14603	22.5
311.18356	9.8
312.12173	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.01866	1.9
55.05508	5.9
56.05031	2.6
56.96560	2.7
57.03424	4.3
57.07076	1.1
58.99568	1.5
65.03934	1.1
67.05500	13.7
69.07073	2.3
70.04081	1.0
70.06581	3.7
70.09873	4.3
72.08153	3.0
79.05494	15.8
81.03442	1.4
81.07059	11.9
83.04977	3.7
83.08607	2.0
84.08130	3.5
85.01143	5.0
86.09703	3.3
91.05480	16.6
93.07051	13.6
95.04977	7.6
95.08614	7.5
97.06526	2.4
97.10200	1.6
100.11292	1.5
102.03773	12.3
102.05527	7.2
103.05467	2.6
104.10745	2.4
105.04546	1.0
105.07008	8.4
107.04955	100.0
107.08578	4.7
107.46446	1.1
108.05307	1.3
109.06499	4.8
109.10133	3.9
110.89178	0.9
115.05463	2.9
116.01661	1.8
117.07020	8.6
119.04967	1.8
119.08585	7.4
121.02849	2.0
121.06507	5.7
121.10104	2.4
123.04431	1.1
123.08032	1.3
123.11732	1.4
125.00073	1.2
128.06236	2.3
129.06998	4.5
131.04932	7.0
131.08549	8.8
132.05716	4.4
133.06487	3.1
133.10114	1.7
135.08043	2.2
137.05968	3.3
137.09724	1.1
145.06500	4.1
145.10072	4.5
147.04346	1.1
147.08052	6.9
149.05969	2.8
149.09642	1.8
153.06981	1.1
155.08574	1.9
157.06424	1.4
159.08014	1.7
159.11658	1.7
160.05206	3.8
161.05991	4.2
163.11238	1.2
173.13237	9.6
175.06035	2.2
175.07552	41.4
176.07912	1.2
177.09192	1.9
178.07793	2.1
183.11624	1.7
184.07336	1.4
187.07533	2.9
188.03798	2.4
188.07031	1.3
191.08543	2.0
191.14313	8.5
193.10205	2.1
201.12752	3.6
202.07814	3.3
203.08575	3.6
205.06441	16.5
205.08371	2.0
207.08154	2.3
214.93893	1.5
215.08525	1.9
218.07286	1.6
219.07986	2.1
219.13802	13.7
221.09615	10.5
231.07932	2.6
233.09607	3.0
234.09792	1.2
235.07477	1.9
237.14877	2.0
243.08110	1.2
249.09103	6.5
251.07140	1.9
251.10600	1.3
255.90660	0.9
261.09106	5.6
262.09842	1.4
266.09131	1.4
267.10068	1.1
279.10168	1.3
281.11612	4.9
293.11728	3.3
301.66425	0.9
311.12869	5.4
311.18442	12.3
312.12408	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1276
Annotation	Harringtonolide
Peak:m/z	Relative Intensity
55.01860	1.5
55.05498	2.1
67.05483	3.6
69.07050	1.9
70.04057	3.3
70.06567	4.6
70.07096	6.4
71.04948	1.7
72.08110	1.4
72.93786	1.7
73.02878	2.2
79.05459	6.0
81.07021	4.0
84.08126	2.3
85.02865	1.2
86.09679	2.7
91.05476	12.5
93.07013	1.5
94.04150	4.8
95.04961	2.5
95.08588	2.6
98.21751	1.2
103.05429	4.8
105.03343	2.5
105.07035	12.2
107.04960	14.1
107.08576	2.5
108.08110	2.8
109.06496	4.6
115.05430	4.0
116.98660	1.6
117.06982	1.6
119.04889	1.8
119.08572	1.9
120.08086	1.9
121.02829	2.9
121.06473	3.1
121.10120	2.0
122.03647	10.5
125.07129	1.2
128.06218	1.3
129.06972	5.3
131.04887	3.3
133.02840	11.3
133.06464	11.6
135.04427	1.4
137.05968	100.0
141.06900	1.4
143.04871	1.2
143.06010	1.2
144.05673	3.5
145.06454	5.1
147.04385	1.7
147.07930	1.9
149.06009	6.6
151.07492	2.2
153.06990	1.6
155.04880	7.1
156.05612	1.5
157.06448	6.1
159.08040	9.1
161.05975	20.7
161.13231	1.6
163.07481	1.4
165.05431	3.6
165.06958	4.4
168.05888	1.3
169.06488	1.5
172.05167	2.2
175.07454	3.8
177.05453	1.6
178.07745	2.1
179.08565	1.5
187.07518	28.5
189.06963	6.2
189.08618	1.2
190.07744	20.6
191.08539	43.8
192.08986	1.7
193.06311	1.5
202.07767	3.5
203.08409	2.5
205.06389	2.6
207.08073	6.5
208.08856	7.1
218.07231	14.7
219.08020	55.3
220.08615	5.4
221.06012	2.0
221.09468	2.7
231.08138	1.7
233.09511	2.6
235.07527	8.4
236.08295	12.7
237.08913	3.0
247.07507	22.0
248.08195	4.1
249.09167	1.8
251.10667	74.8
253.08578	6.0
261.09106	4.1
263.07065	1.6
264.07822	9.9
265.08472	3.3
267.16873	2.0
278.09546	2.2
279.07050	2.9
279.10144	57.5
280.10809	5.6
281.08078	7.0
281.11560	2.4
293.15714	1.4
296.10394	6.7
309.11292	1.9
311.12704	54.0
311.16635	6.7
311.19788	3.7
312.13217	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	311.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.7
55.05490	4.3
56.05031	2.6
56.31369	1.7
56.67934	1.7
56.96545	5.2
57.03421	3.3
59.24848	1.8
60.08149	1.8
65.24597	1.4
67.05484	6.2
69.03407	2.8
69.07055	2.5
70.06596	9.1
71.04970	2.6
71.11861	3.8
72.08150	4.4
77.03863	2.0
79.05488	13.4
81.07024	7.5
83.08615	2.2
84.08141	8.5
84.08562	1.7
86.09716	9.9
88.26759	1.6
91.05481	18.1
93.07048	10.7
93.91401	1.6
94.04169	5.0
95.04941	7.6
95.08631	2.3
98.50738	1.6
103.05445	5.9
104.10706	7.7
105.07034	16.8
107.04958	67.8
107.08582	2.7
108.05305	2.1
109.06530	8.2
110.49044	1.5
115.05450	4.9
117.06977	4.0
119.04946	8.3
119.08536	7.1
121.02860	1.6
121.06496	8.2
121.10137	13.1
122.03653	11.9
123.04379	2.1
124.99991	3.8
128.06200	1.8
129.06976	5.9
129.10181	1.9
130.06464	6.2
130.61659	1.9
131.04893	4.8
131.08539	2.4
132.05670	4.1
133.06456	6.3
137.05977	100.0
138.52937	2.9
144.05627	5.3
145.06441	5.5
147.04343	2.3
147.08031	5.2
147.11606	2.2
149.05991	7.8
149.09731	2.1
149.10759	23.3
151.07489	4.5
155.04919	9.2
155.05984	2.2
156.05656	1.7
157.06416	4.9
159.08081	10.7
160.05173	2.2
161.05981	13.3
165.06924	3.2
172.05191	2.9
174.06708	2.4
175.07541	27.3
178.07623	2.1
179.08481	3.4
181.06461	3.3
184.07289	6.1
187.07555	33.9
189.06914	7.9
189.09029	5.0
190.07753	29.1
191.08546	49.6
191.10295	2.9
192.08894	2.1
195.07944	2.3
199.07457	2.1
202.07666	4.9
203.08522	6.1
205.06410	5.3
206.07249	2.3
207.08035	10.7
208.08844	8.4
209.09473	2.5
215.08524	3.8
217.08521	2.8
218.07260	17.8
219.08047	62.4
220.08725	9.0
221.06029	2.3
221.09605	8.7
223.07381	1.9
223.11302	2.6
231.07896	2.5
233.09616	7.8
235.07550	9.6
236.08328	19.1
237.09004	3.2
241.08606	3.0
246.06778	2.6
247.07527	25.7
248.08192	4.2
249.09079	12.6
250.09724	3.1
251.10643	73.1
252.11029	3.8
253.08652	8.9
261.09158	11.9
263.06946	3.8
264.07825	6.9
265.08450	3.6
266.09338	4.0
278.09293	2.2
278.19699	7.0
279.10144	55.8
280.10693	4.8
281.08307	10.1
281.11688	10.8
283.13266	2.5
293.11511	8.9
294.11191	1.8
296.10403	11.4
311.12662	56.0
311.18066	7.6
312.12570	2.1
318.52789	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
55.05509	1.6
56.05031	2.8
56.96581	0.9
58.99583	2.7
65.00958	0.5
67.05508	1.5
68.05017	0.6
69.07073	0.7
70.06606	1.0
70.38539	1.2
70.38905	1.3
75.02688	1.0
76.02234	2.5
76.04007	1.4
78.35799	0.6
79.05502	2.4
81.03410	0.7
81.07063	1.7
83.04982	0.5
83.08595	0.7
84.04517	1.0
84.08177	0.9
85.01129	23.1
86.09734	1.1
86.16479	0.5
86.99068	0.7
91.05486	1.5
93.07087	0.8
95.04964	2.9
95.08603	1.2
102.03767	46.0
102.05540	26.1
107.04955	100.0
108.05264	0.6
109.06544	0.7
116.01660	6.6
119.08575	0.7
121.10135	0.9
130.88841	0.6
137.05914	1.2
144.01089	1.3
162.02220	2.3
163.11244	0.6
170.16226	0.5
173.13170	0.6
184.07472	0.7
188.03767	8.2
191.14241	0.9
205.06421	74.5
206.06732	0.9
235.81839	0.6
255.09048	0.6
260.60522	0.6
311.18259	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.01877	1.0
55.05507	1.9
56.05025	1.0
56.96559	2.2
60.08113	1.1
65.17150	0.9
67.05497	3.0
67.08955	0.9
69.07059	1.5
69.95238	3.3
70.06582	3.0
72.08161	2.0
79.05508	6.5
81.03413	1.5
81.07044	3.6
83.04961	1.4
84.08144	2.3
86.09694	4.8
91.05471	6.6
93.07039	4.1
95.04971	6.1
95.08585	2.1
96.39417	1.0
98.75304	1.1
102.30429	1.0
103.05461	3.1
104.10734	3.3
105.07021	3.5
107.04953	100.0
107.08580	1.9
109.06501	1.7
110.07181	1.2
115.05446	3.5
115.35756	0.9
117.06941	2.2
119.04939	1.8
119.08588	4.2
120.08099	4.2
121.02880	1.4
121.06481	3.7
122.03649	1.3
123.04401	1.5
125.00005	2.0
129.07007	4.4
130.06540	0.9
131.04922	3.4
131.08575	1.0
132.05717	3.4
133.02809	1.4
133.06494	2.3
133.10120	1.1
137.05965	11.5
144.05701	2.4
145.06480	5.6
147.04453	2.2
147.08014	4.7
149.05965	1.7
155.04782	1.0
157.06477	3.1
159.04321	0.9
159.08028	2.1
160.05185	2.7
161.06009	3.5
163.07562	1.1
165.07002	1.1
170.99785	1.1
172.05173	4.9
172.67151	1.0
172.95251	1.4
174.06758	3.2
175.07539	31.1
175.09042	2.1
177.09163	1.4
178.07780	2.2
180.18933	1.0
181.06511	2.3
184.07378	3.2
185.06070	1.5
187.07532	22.0
188.08272	1.2
189.07207	1.6
189.09056	2.2
190.07797	3.1
191.08577	3.7
195.08092	1.3
195.13794	1.0
199.07556	2.6
202.07779	3.6
203.08534	5.9
204.08911	1.0
205.06522	1.5
205.10185	1.5
205.78709	1.1
206.07242	1.1
207.08110	3.1
208.08765	1.1
210.06798	2.2
215.08434	4.7
217.08620	2.8
218.07350	5.3
219.08035	5.8
221.09612	12.2
223.07568	1.3
226.06360	1.4
231.07944	4.4
232.08839	1.8
233.09602	9.3
234.06741	1.8
235.07562	5.3
236.08234	1.3
238.06216	1.3
241.08595	6.6
247.07527	3.6
248.08348	2.0
249.09140	8.8
250.09969	2.2
251.07091	2.2
251.10704	4.3
253.08658	2.5
261.09085	13.1
262.09811	2.8
263.07123	1.6
263.10538	1.1
266.09424	7.0
275.10706	1.0
277.08798	1.3
278.09384	4.1
279.10034	2.3
281.11722	12.9
283.13196	1.3
293.11786	7.9
294.70703	0.9
296.10614	1.2
311.12604	9.5
311.18542	3.0
312.12268	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.01864	5.7
55.05512	11.7
56.05029	4.5
56.96557	5.2
57.03435	7.5
57.07080	2.0
58.99559	1.5
60.26674	1.3
65.03961	2.2
67.05502	31.7
69.03436	2.7
69.07052	9.0
70.06586	5.0
71.04996	3.7
71.58654	1.5
72.08131	2.3
79.05491	21.1
81.03419	3.0
81.07054	29.4
82.09078	1.3
83.04982	5.5
83.08626	5.9
84.08144	3.7
85.01129	21.2
86.09718	4.6
87.05601	1.4
91.05470	14.0
93.07043	23.2
95.04972	5.6
95.08598	17.8
97.06522	4.5
97.10181	4.4
98.84424	1.6
99.08089	3.7
102.03764	42.9
102.04420	2.8
102.05535	23.0
102.06165	1.9
103.05404	1.8
104.10756	3.2
105.04549	1.5
105.07030	10.9
107.04952	100.0
107.08595	11.8
108.05272	2.1
109.06533	3.9
109.10136	9.0
110.07069	1.5
111.08070	2.1
113.38486	1.5
116.01682	4.3
117.07037	5.4
119.08594	6.9
121.02873	1.7
121.06543	3.8
121.10155	6.3
123.04423	1.4
123.08060	4.5
123.11680	1.7
125.00047	1.5
125.09660	6.7
127.07530	1.5
129.07002	3.2
131.04897	1.8
131.08572	10.4
133.06464	1.5
133.10165	5.2
135.08041	2.2
135.11656	2.5
137.06000	2.2
137.09615	5.3
138.10234	1.4
139.11169	1.8
145.10127	5.3
147.11690	3.8
149.09589	6.6
149.13306	2.2
151.11194	3.1
155.08595	1.9
157.10127	2.0
159.11685	3.4
161.13292	1.5
162.02165	1.7
163.11180	1.7
165.12714	2.0
173.13223	7.7
183.11765	2.3
184.07350	3.2
188.03778	6.6
191.14366	4.1
201.12787	3.2
205.06415	72.6
219.13820	8.4
219.17564	1.3
223.07645	1.3
237.14796	2.2
237.18628	2.9
241.08286	1.4
275.20099	2.6
293.21127	21.4
311.13141	1.8
311.15048	1.5
311.18335	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	310.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22964	0.3
55.01852	0.6
55.05508	2.2
56.04573	0.3
56.05029	0.5
56.96552	1.5
57.03415	1.0
57.07071	0.7
59.04983	0.4
60.13088	0.3
67.05502	3.1
69.03409	0.6
69.07063	7.6
69.91534	1.7
70.04072	28.7
70.06584	0.5
71.04987	0.5
72.08133	0.5
72.93764	0.6
73.06533	1.5
79.05485	4.0
80.05019	0.8
81.03416	0.6
81.07052	4.5
82.06565	0.4
82.07379	0.6
83.04971	0.7
83.08598	1.3
84.08162	0.7
86.06033	0.3
86.09705	1.9
90.94811	0.4
91.05476	2.7
93.07040	4.5
94.06551	0.6
95.04940	1.2
95.08598	3.8
95.86749	0.3
96.08120	0.5
96.08950	0.3
97.06512	1.1
98.09703	1.9
98.10235	0.3
98.97537	0.7
100.11235	0.5
105.07009	1.4
107.04946	9.0
107.08595	2.4
108.08112	10.9
108.08851	0.6
109.06487	0.7
109.08928	0.7
109.10159	1.7
110.06902	0.3
110.09670	2.6
111.08031	0.4
113.05974	0.4
115.07557	1.7
116.98643	0.6
117.07013	0.3
119.08562	1.3
121.06483	1.2
121.10115	1.1
122.09662	8.3
123.08033	0.6
123.10429	1.4
124.11206	0.5
128.06232	0.4
129.06955	0.5
131.04877	0.4
131.08562	0.8
133.10127	0.9
135.11688	2.3
136.06215	0.4
136.11197	2.7
137.05943	1.3
137.13240	0.4
144.05624	0.4
144.95833	0.5
145.06386	0.6
145.10118	0.4
149.09613	0.4
149.13121	0.5
150.12766	16.4
151.13551	5.4
152.14337	5.5
153.12711	0.8
157.06465	0.7
161.13319	0.5
163.03906	0.4
164.14330	1.3
166.12306	0.6
166.15874	3.5
173.02298	0.5
173.06015	0.4
174.06868	0.4
178.15918	0.5
179.14270	0.5
180.10242	0.8
181.06458	0.5
185.05931	0.5
187.07494	3.7
189.09161	0.5
189.43011	0.4
192.17505	1.3
199.03847	0.6
210.14845	1.4
212.16484	3.2
213.05360	0.9
218.07286	0.6
219.08110	0.4
220.20522	2.8
222.14914	0.8
231.08386	0.6
233.09554	1.7
235.07310	0.4
236.16551	2.0
238.21704	0.9
241.08572	1.1
243.09055	1.4
248.08369	0.4
249.09023	0.6
250.08731	0.4
251.09070	0.5
255.10321	0.5
261.09299	2.4
264.19534	0.7
266.21133	100.0
267.00238	0.7
267.13791	0.6
267.21573	2.0
267.23935	0.4
268.22708	5.1
269.08081	0.3
269.10526	0.4
278.09155	0.7
281.11670	1.1
282.24356	0.5
287.11249	0.4
292.19788	1.0
293.11755	1.8
310.14969	1.6
310.23737	66.8
311.12418	1.7
311.20023	0.5
311.23990	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	12.3
55.01858	16.0
55.05509	32.2
56.05837	6.9
56.85824	4.8
56.96567	8.9
57.03431	20.6
57.07066	7.9
65.03950	6.8
66.52938	4.7
67.05500	78.5
68.05824	22.7
69.03440	8.0
69.07057	35.6
70.04073	97.2
70.06591	6.8
70.07378	6.4
71.04980	6.8
71.08630	5.6
71.20440	12.0
72.08152	5.5
77.33420	5.1
79.05491	85.2
80.05826	43.0
81.03413	9.2
81.07051	100.0
82.03727	6.7
82.07392	36.7
83.04975	11.0
83.08621	10.3
85.06545	9.3
86.09720	5.4
87.04485	7.3
91.04972	6.7
91.05484	79.4
92.05825	34.8
93.07044	82.1
94.07369	54.2
95.04965	26.5
95.08604	74.8
96.05299	16.8
96.08935	42.1
97.06527	23.6
97.10168	6.2
98.06834	6.7
99.08075	6.9
105.07025	58.7
106.07365	40.4
107.04955	15.1
107.08570	53.1
108.08925	36.8
109.06508	27.2
109.10151	21.1
110.06840	11.5
110.10484	11.9
110.49432	4.8
110.76978	5.1
117.07029	11.9
118.07352	10.7
119.00297	4.9
119.08573	59.1
120.08913	57.3
121.06486	5.9
121.10118	42.1
122.10487	23.0
123.08062	12.5
123.11658	6.9
124.08412	9.2
125.09628	11.1
129.07022	10.9
130.07413	8.1
131.08546	21.4
132.08858	26.2
133.10124	53.7
134.10464	59.9
135.08073	8.4
135.11722	14.4
136.12047	12.6
137.09610	7.2
138.09979	6.1
143.08514	11.0
144.08902	15.6
145.10115	16.1
146.10458	21.2
147.11664	11.1
148.12030	11.9
149.09637	6.2
157.10107	17.2
158.10417	15.7
158.27206	5.0
159.10199	10.9
159.11647	6.5
160.10672	5.8
160.12007	11.0
162.13542	6.7
172.12027	11.0
173.13278	7.4
174.13597	10.6
176.15160	19.2
177.16513	4.9
188.07016	25.8
189.16280	6.9
190.13115	8.5
190.16719	31.5
199.14857	18.2
200.15140	61.2
206.08145	59.3
212.10481	5.1
217.15848	16.2
218.16196	73.5
219.07982	5.3
228.18233	8.3
233.09764	11.6
236.17313	10.7
246.19252	5.1
258.66971	5.1
264.20334	52.6
274.18658	8.3
275.20303	8.1
292.19913	34.6
293.21017	8.9
310.10751	11.2
310.14896	8.7
310.20844	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.6
53.03938	1.3
55.01860	0.7
55.05494	1.1
56.05017	0.4
56.96552	1.4
57.03416	0.9
67.05500	2.2
69.03413	1.0
69.07053	1.1
70.04076	4.1
70.06575	1.3
70.19050	0.4
70.19385	1.4
71.04986	0.7
72.08148	0.9
72.89693	0.3
77.03925	0.4
79.05470	1.5
81.03421	0.5
81.07047	1.9
83.08578	0.6
84.04498	0.6
84.08113	0.7
85.02857	0.9
88.03986	1.0
91.05470	9.0
93.07033	14.1
94.06566	0.4
94.07344	0.4
95.04950	3.7
95.06066	0.4
95.08598	3.0
96.08914	0.5
97.02869	0.5
97.06530	0.3
98.97536	0.8
103.04778	0.6
103.05459	8.7
104.69167	0.3
105.04522	0.6
105.07016	1.0
107.04280	0.6
107.04945	7.5
107.08580	1.2
108.08133	0.3
108.08900	0.4
109.06496	0.7
109.10146	0.6
111.08089	0.5
112.11245	4.0
115.05477	0.6
116.98591	0.8
119.04935	1.2
119.08574	0.8
120.08937	0.4
121.06492	100.0
122.03665	0.5
122.06815	1.8
126.12729	0.6
129.07097	0.5
130.06548	0.4
130.12270	4.1
133.06511	0.6
134.99654	0.6
137.05952	3.5
137.09578	0.6
138.09123	1.3
146.06026	0.6
146.97444	0.4
147.04387	1.2
149.06105	0.4
150.99062	0.4
151.11134	0.5
154.12270	0.9
155.65393	0.3
158.09987	0.5
158.99557	0.3
161.06021	0.9
166.08601	1.4
170.80733	0.3
172.13297	5.6
175.03882	0.9
177.00726	0.5
187.07529	1.1
188.07074	1.9
190.07681	0.5
190.14362	7.5
191.08563	1.5
199.03891	0.9
200.14339	4.8
201.05492	1.8
204.10486	1.7
207.06522	0.7
208.09738	1.9
218.07249	0.8
219.08112	2.1
227.07103	0.4
232.16972	2.0
241.08553	0.4
242.14708	0.4
247.07466	1.1
250.17986	7.7
251.09073	3.1
251.10931	1.5
264.07922	0.4
267.09906	0.4
274.18668	0.4
279.10211	2.1
281.07852	0.3
282.11859	0.4
283.13260	0.5
292.19025	5.2
296.10446	0.6
310.14783	2.4
310.20093	37.6
311.12616	3.2
311.20361	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
53.21675	0.3
55.01855	0.7
55.05499	0.8
55.23108	0.2
55.65359	0.3
56.05020	0.3
56.96550	1.3
57.03427	0.5
65.03934	0.4
67.05493	2.3
69.03418	0.5
69.07050	1.2
70.04070	0.4
70.06578	1.3
70.13289	0.6
70.13682	0.7
71.04973	0.3
72.08140	0.4
74.97609	0.3
75.44570	0.3
77.03931	0.3
79.05468	1.5
81.03398	0.6
81.07055	1.8
84.04496	0.4
84.08145	0.5
85.02859	0.4
87.04496	0.4
88.03975	1.3
88.04460	0.3
91.05474	8.0
92.05802	0.4
93.07034	12.6
95.04961	3.9
95.06042	0.3
95.08588	4.1
96.05278	0.4
97.06509	0.5
98.97577	0.9
103.05458	7.4
105.04480	0.6
105.07001	0.7
107.04944	4.6
107.08588	0.8
107.58980	0.3
108.08088	0.5
109.02834	0.4
109.06493	0.6
109.10137	0.9
110.07113	0.3
111.07995	0.3
112.11226	4.1
116.98616	0.8
117.07067	0.4
118.06519	0.5
119.04951	0.8
119.08585	0.5
120.08083	0.4
121.06491	100.0
122.06829	2.1
122.09698	0.4
123.04422	1.1
126.12750	0.5
129.06989	0.5
130.06514	2.7
130.12271	1.9
131.04948	0.3
133.10115	0.6
134.99635	0.8
135.08014	0.4
135.11673	0.6
136.07590	0.7
137.05966	1.8
137.09631	1.0
138.09134	0.8
143.04866	0.3
144.08107	0.3
145.02820	0.7
145.06468	0.6
146.06041	1.4
147.04442	0.5
148.07515	0.4
152.07037	0.3
155.10655	0.6
157.06516	0.4
161.05978	0.3
164.06949	0.3
172.13300	3.5
173.05968	0.5
175.03844	0.3
177.00700	0.5
177.05449	1.5
187.07556	0.4
188.07053	2.3
190.12799	0.6
190.14392	5.6
191.08531	0.5
199.03905	1.2
199.07541	0.4
201.05515	1.6
205.09793	0.7
208.09663	2.7
213.05550	0.4
215.06512	0.4
217.05017	0.7
219.08141	0.5
227.07149	0.5
232.16930	5.0
234.09158	0.5
236.13702	0.8
236.46767	0.3
249.09430	0.4
250.18007	8.5
251.08879	1.7
251.18265	0.4
261.09207	0.5
266.21243	1.6
278.08829	0.4
279.10211	0.4
283.13397	0.7
292.19095	5.6
294.11230	0.9
310.17175	1.2
310.20120	33.4
310.23563	2.2
311.05490	0.3
311.12500	1.7
311.20425	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02591	0.2
65.03937	0.2
66.78116	0.2
68.62444	0.2
70.04057	0.4
70.06548	0.2
71.58790	0.4
84.08111	0.3
86.09696	0.4
91.04959	0.4
91.05481	5.2
103.05469	0.3
104.25624	0.2
105.03391	0.4
107.04939	0.5
111.93493	0.2
115.05438	1.1
117.07017	0.4
119.04937	10.4
121.02821	0.3
121.06506	0.3
131.04893	0.3
132.05743	0.3
135.04398	0.4
136.05182	0.5
144.48997	0.2
146.03615	0.5
147.04404	10.1
147.08029	0.3
149.05922	0.3
151.03865	1.1
157.03955	0.8
161.05937	0.3
162.03146	0.3
163.03889	0.8
164.04659	1.6
175.03897	20.7
176.04312	0.3
179.07027	1.1
185.36404	0.2
190.06270	0.3
191.03418	0.5
192.04161	0.4
197.62361	0.2
207.06526	12.4
208.03587	0.5
235.05952	0.7
236.06789	1.6
251.09128	100.0
252.09436	2.1
310.16498	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	310.2009
Annotation	6-Hydroxynobiline
Peak:m/z	Relative Intensity
51.41517	0.4
53.03934	1.7
55.01860	0.9
55.05512	3.1
56.05014	2.2
56.96548	2.0
57.07073	0.6
65.03934	1.3
67.05499	6.8
68.05000	1.2
69.03432	5.2
69.07050	1.7
70.03690	0.5
70.04067	7.1
70.06590	3.4
71.04958	1.0
71.59822	0.6
71.60275	0.6
72.08134	1.5
78.04682	0.5
79.05486	16.3
80.05015	2.3
81.03401	0.9
81.07040	8.3
82.06571	7.7
82.07342	0.6
83.08601	1.3
84.04480	2.0
84.08141	0.9
85.02889	1.4
85.06516	1.0
86.06059	21.1
87.04459	10.7
91.05467	8.0
93.07043	8.5
94.06558	6.0
95.04964	3.4
95.06047	1.0
95.08596	3.5
96.08110	2.5
97.06511	0.7
98.06045	4.5
98.97570	1.4
102.05535	0.8
105.04494	0.5
105.07010	5.0
106.06564	0.6
107.04929	4.3
107.08567	3.2
108.08115	3.5
109.06490	1.3
109.08853	0.5
110.06013	0.5
111.04404	0.8
115.05427	0.7
116.98599	1.4
117.07019	1.5
119.08570	3.3
120.08071	1.7
121.02871	7.0
121.06494	2.8
121.10134	1.0
122.05985	0.6
122.09669	4.2
123.08079	0.7
124.07571	2.0
128.06192	0.5
129.06998	1.3
131.08528	0.9
133.10118	1.5
134.06006	0.7
134.09612	0.6
134.99612	1.0
136.07570	1.5
137.05927	0.6
143.08603	0.9
145.10085	1.2
147.11676	2.8
148.07509	0.8
150.09129	7.5
158.99547	0.6
161.13260	1.0
162.09132	2.0
166.82660	0.5
168.10243	1.4
171.11740	1.7
173.13176	0.5
177.00685	1.0
178.15982	0.6
189.12764	2.5
190.13406	5.4
191.14140	0.6
196.04532	0.9
199.03935	2.5
204.06613	0.7
204.10135	0.6
206.15439	1.8
210.09256	0.6
217.05020	1.0
220.10426	1.6
223.19057	0.5
224.16550	2.4
229.10847	1.0
246.18433	0.8
250.18208	0.6
251.09155	1.7
251.12531	0.8
256.17044	0.5
264.19510	1.0
266.20932	0.6
272.02170	0.5
274.17975	4.8
283.13724	0.5
292.19183	1.4
293.11801	0.6
310.20099	100.0
311.13766	4.2
311.17984	2.8
311.20551	3.1
328.08627	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77250	1.1
53.03914	1.7
55.01866	3.9
55.05487	1.4
56.05031	3.4
57.03427	4.4
58.02959	2.2
59.03731	2.3
60.04520	2.8
60.99155	1.3
68.05038	2.5
69.03429	19.4
70.02941	2.2
70.04089	6.8
70.06594	54.9
70.30591	5.3
71.04980	1.8
72.04537	2.0
72.08149	3.1
74.06097	1.7
76.02237	2.5
78.01804	5.0
79.05495	5.1
80.84597	1.1
81.03403	4.1
84.04504	9.5
84.08144	14.5
85.02911	13.5
86.09698	3.9
87.03217	15.1
87.04455	1.2
88.03972	4.2
91.05480	30.9
95.05005	2.3
96.04491	2.6
97.02893	24.2
97.05273	1.6
98.06072	6.3
99.04449	4.5
100.03963	1.7
102.05585	2.2
103.05464	18.8
105.07039	17.6
107.04956	11.6
108.04507	1.3
108.05244	1.9
109.02863	1.6
110.07151	5.8
112.03969	19.7
114.05525	1.4
115.05440	2.7
116.07101	6.3
117.05737	3.0
117.07005	3.5
118.06512	1.6
119.04922	1.6
119.07362	1.8
120.08109	100.0
121.08433	1.8
124.03963	3.3
126.05504	6.2
127.03916	11.6
128.06218	2.0
129.06972	5.7
129.10220	5.8
130.05025	3.3
130.06526	13.5
130.08582	2.0
131.04932	6.8
132.08089	66.8
133.06458	2.3
133.08485	1.5
134.09650	5.1
136.07562	5.4
143.05782	11.1
143.08501	1.6
144.06621	1.6
144.08066	12.6
145.06396	1.3
148.07635	1.7
149.05934	1.4
156.08041	4.9
158.09673	2.6
160.07666	1.5
161.06848	8.6
162.09152	4.8
164.01779	2.5
166.08656	32.7
168.08084	2.0
171.08018	3.2
173.87619	1.3
174.09242	1.9
178.08646	15.6
179.39233	1.3
181.04402	1.6
186.09131	2.8
188.07076	4.7
191.08566	1.3
195.11250	2.9
198.09169	3.0
200.10741	2.1
202.08615	5.6
204.10130	2.0
206.08113	8.2
210.09177	2.7
213.12325	19.0
216.10294	3.0
220.09566	1.6
228.10255	2.9
229.07390	1.7
233.09601	2.5
237.05542	1.4
244.09621	9.4
246.11241	14.6
264.12302	52.4
274.10651	1.3
282.13409	2.7
288.32581	1.2
292.11798	56.6
293.12018	1.7
307.05569	1.8
310.09552	1.8
310.12833	35.4
310.17688	5.5
311.13123	1.3
312.29074	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	6.8
57.03434	7.0
57.07065	10.5
61.02920	6.9
63.46126	3.5
67.05498	6.5
69.03413	8.6
69.07058	4.9
69.61456	13.4
69.61906	13.1
70.06240	4.5
70.06598	28.7
71.04983	6.3
71.20970	3.6
73.02885	4.4
76.02212	7.4
78.01791	12.6
81.03400	5.5
84.04481	14.5
84.08137	12.7
85.02899	57.3
85.06545	5.3
91.05500	3.9
95.04963	19.1
97.02881	16.2
98.20747	7.3
99.04465	3.2
100.78226	3.4
107.04936	24.7
110.07120	4.3
113.05991	33.9
119.04899	3.8
120.08110	10.7
126.63799	3.4
127.03930	13.6
129.10187	4.1
129.76593	3.4
131.07033	100.0
131.07951	7.0
134.99724	4.9
136.06142	6.8
136.07556	5.2
145.04947	17.4
147.04381	5.9
154.42160	3.3
164.01811	5.8
175.03731	3.8
208.56085	3.6
266.12274	5.1
310.09497	5.0
310.12836	3.6
310.17609	6.6
311.17386	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	309.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41221	4.8
51.61621	4.9
55.01881	8.4
55.05519	39.2
57.03445	6.2
57.07069	11.3
67.05505	71.7
69.07065	37.3
69.10406	5.1
70.04082	14.0
71.08633	24.4
71.59069	7.4
73.43715	4.8
79.05491	51.1
80.25261	5.3
80.41780	4.6
81.03397	7.6
81.07058	76.4
83.04980	11.8
83.08614	17.5
91.05473	40.9
93.07050	49.2
94.69234	4.9
95.04967	28.3
95.08605	43.9
97.06536	15.6
97.10204	17.4
98.06026	7.2
99.08107	12.1
105.07057	27.8
107.04957	6.9
107.08602	45.8
109.06522	14.5
109.10162	27.3
117.07015	10.7
119.08591	26.3
121.10101	25.2
123.08067	9.7
123.11736	10.2
125.09592	12.2
129.07083	5.6
131.08565	11.5
133.10136	22.1
135.11685	13.2
137.09615	10.8
139.11208	8.9
145.10127	8.5
147.11720	16.8
149.13258	10.7
151.11180	14.2
153.09155	5.0
157.10146	8.6
161.13194	10.3
165.12764	6.0
171.11707	7.1
175.14790	8.3
179.14345	6.7
188.07082	9.1
193.15820	5.8
206.08153	16.9
210.00359	5.2
221.15424	8.5
259.20630	12.5
271.62241	5.9
277.21646	84.3
277.24402	8.3
286.60580	5.0
291.19785	5.6
309.24570	23.8
309.29828	100.0
316.87286	5.3
333.45697	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	309.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	2.0
55.01871	17.7
55.05262	1.7
55.05513	18.8
57.03443	8.3
57.07067	7.1
59.04991	1.5
63.03343	1.1
65.03951	1.4
67.05505	38.2
69.03419	4.1
69.07065	12.7
69.26585	1.3
70.04078	100.0
70.10831	2.6
70.11237	3.8
71.03782	3.8
71.04405	9.2
71.08624	3.9
77.36131	1.3
79.05493	21.3
81.03423	3.2
81.07056	35.6
83.04976	4.5
83.08601	9.8
85.06542	2.8
85.10172	5.5
90.27789	1.2
91.05479	17.8
93.07051	18.4
95.04951	6.1
95.08608	31.6
97.06525	6.0
97.10169	2.2
99.08106	4.7
105.07023	11.8
107.04948	12.8
107.08586	9.1
109.06509	5.0
109.10144	12.6
111.08087	18.3
113.09635	8.3
117.07039	2.4
119.08598	9.3
121.06517	2.1
121.10142	9.2
123.08054	3.0
123.11709	4.4
125.01563	1.7
125.09630	2.1
126.01874	1.8
127.01262	1.8
129.06995	2.4
131.08607	6.3
131.09422	1.2
133.06491	1.7
133.10149	8.5
135.08044	4.5
135.11658	3.5
137.09642	1.8
137.13280	1.9
139.11166	1.9
145.10161	3.3
147.08051	1.8
147.11687	7.5
149.09651	4.8
149.13278	2.7
151.11139	3.0
152.03520	1.1
153.12782	1.5
155.10704	2.6
157.10172	4.0
161.13306	3.9
163.11238	2.3
165.12794	10.6
170.20639	1.2
171.11740	1.7
174.98515	2.5
175.11119	1.8
179.14285	1.7
198.98538	2.6
199.14851	2.2
206.08154	1.4
207.13757	1.8
213.00212	1.8
221.15369	1.9
230.68098	1.3
231.21106	2.5
245.89267	1.4
249.22203	3.7
259.20541	2.7
260.88156	1.4
273.18420	2.0
277.18466	1.7
277.21600	32.3
291.19528	4.6
295.22748	2.8
301.01682	3.8
309.15649	13.8
309.20883	2.6
309.24078	8.7
309.63351	1.3
310.14990	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	309.2423
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03943	4.3
55.01630	2.3
55.01873	38.2
55.05266	2.7
55.05510	38.7
57.03435	19.6
57.07069	12.5
60.54647	1.9
65.03922	5.0
65.20583	2.0
67.05505	80.5
69.03428	11.0
69.07066	25.3
69.26241	22.3
70.04076	100.0
71.03767	2.8
71.04389	4.4
71.04983	3.9
71.08632	13.3
73.26034	2.0
76.53497	1.9
79.05494	39.6
81.03403	6.3
81.06582	4.2
81.07055	81.6
82.07387	2.7
82.37506	2.2
83.04987	13.3
83.08612	20.6
85.02895	2.5
85.06518	4.9
85.10172	9.5
91.05472	37.7
93.07038	45.9
95.04967	14.0
95.08604	74.7
97.05980	2.5
97.06533	17.3
97.10157	4.3
99.08096	12.5
105.07027	27.5
107.04959	30.2
107.08599	24.8
109.02865	2.3
109.06564	11.3
109.10139	26.6
111.08081	31.2
111.11756	2.2
113.09630	11.5
117.07006	4.6
118.56192	1.8
119.08586	18.7
121.06511	5.0
121.10139	18.7
123.08057	7.8
123.11681	9.2
125.09589	3.8
126.01900	2.2
126.06702	1.9
129.06987	3.9
131.08545	15.4
133.06487	3.9
133.10115	15.8
135.08037	7.7
135.11682	6.6
137.09604	4.5
139.11140	3.1
143.08572	3.6
145.10129	8.0
147.08044	3.4
147.11681	16.4
148.12068	2.5
149.09628	11.1
149.13248	6.0
151.11198	5.6
153.12729	3.9
155.01102	2.1
155.10677	2.6
156.97458	3.8
157.10112	3.3
159.11691	3.1
161.09621	5.2
161.13248	7.8
163.11174	4.8
165.12746	16.3
168.28522	1.8
171.11671	3.1
174.98563	7.2
175.11243	4.8
175.14781	3.9
179.14348	4.7
185.13190	2.4
187.14883	2.8
193.12265	3.3
198.98502	4.7
199.14722	3.5
201.00261	2.1
213.00111	4.5
217.15820	4.0
217.19470	2.4
221.15274	2.4
231.21272	2.5
240.99760	2.8
241.19650	3.1
249.22072	6.6
259.20648	6.2
263.20007	2.6
263.59961	2.4
273.18539	7.0
277.21631	67.3
277.24670	4.1
291.19492	10.2
295.22617	4.1
301.01770	9.6
309.15860	13.7
309.20551	7.2
309.24194	14.2
310.14874	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	309.242
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
55.01620	2.5
55.01866	31.6
55.05504	20.2
56.96572	1.7
57.03426	3.1
57.07071	10.3
67.05501	25.7
69.07072	12.8
69.80424	6.6
69.80837	4.6
70.04073	100.0
71.03764	3.2
71.04395	5.7
71.04967	3.9
71.08645	3.2
73.02905	1.9
79.05478	15.9
81.03419	3.0
81.07052	29.0
83.04971	9.4
83.08604	11.0
85.06539	2.7
85.10170	9.9
86.27189	1.7
91.05465	20.3
93.07038	20.1
95.04974	10.0
95.08606	27.3
97.06525	11.9
97.10169	3.4
98.21438	1.9
99.08085	3.0
105.07033	16.6
107.04950	3.5
107.08559	9.7
109.06503	5.6
109.10097	9.3
111.08080	30.3
113.09622	10.9
117.07046	3.6
119.08572	10.7
121.06541	3.3
121.10150	11.8
123.04482	2.9
123.08047	5.0
123.11666	4.8
125.09603	3.8
126.01925	2.6
127.01248	2.7
131.08557	3.8
133.10144	9.9
135.11703	6.1
137.09547	1.9
139.11160	2.1
139.90224	2.0
143.08556	3.8
145.10094	3.8
147.11670	10.2
149.09615	6.2
149.13219	4.5
151.11198	3.7
153.12683	2.5
153.31593	1.9
159.11697	3.3
161.13203	3.9
163.11153	4.7
165.12732	15.6
175.14755	2.9
177.16434	1.8
179.14317	4.0
189.12715	2.2
203.14293	2.4
207.13799	3.0
231.21156	3.7
235.13153	2.4
241.19513	3.9
249.22098	4.9
259.20535	4.8
277.21603	58.4
291.19507	3.4
295.22687	5.9
309.15503	20.7
309.23984	8.8
310.14944	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	309.2421
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03938	9.6
53.61076	2.8
55.01867	36.2
55.05510	39.6
56.52060	3.1
57.03418	6.0
61.32764	2.8
65.03926	3.5
67.05181	5.7
67.05507	77.0
69.07069	96.4
70.04076	8.3
71.08626	12.9
71.58887	4.4
71.59274	5.5
73.06550	4.3
79.05491	56.6
81.03414	16.5
81.07057	100.0
83.04968	15.4
83.08616	25.6
85.06541	7.8
91.05479	51.5
92.68246	3.3
93.07045	58.7
95.04973	19.3
95.08602	60.6
97.06542	40.6
97.10175	18.3
99.08099	20.0
105.07034	40.5
107.04963	5.2
107.08592	42.4
109.06503	13.4
109.10146	29.9
111.08078	12.4
113.05981	2.8
113.09666	4.0
117.07037	8.4
119.08601	29.9
119.09913	3.7
121.06511	3.3
121.10150	30.6
123.08050	11.4
123.11676	9.3
125.08899	3.5
125.09644	36.8
129.06985	9.8
131.08568	12.6
133.10115	25.4
135.07996	3.6
135.11713	25.1
137.09579	4.0
139.47229	4.1
143.08617	3.9
145.10101	11.6
147.11693	39.8
149.09686	3.5
149.13254	15.6
150.74718	3.4
151.11183	22.9
159.11655	7.3
161.13214	20.7
163.11195	11.7
163.14815	7.1
165.03276	3.3
165.12801	15.4
171.11713	15.0
175.14909	8.8
179.14311	12.6
185.13162	6.7
188.07120	5.4
189.12746	11.5
203.12784	6.3
206.08061	4.3
207.13809	6.6
241.19461	10.2
259.20560	16.0
273.18362	3.3
277.21616	73.3
309.24261	12.9
329.63239	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	309.2424
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
55.01849	7.4
55.05513	47.8
57.03435	11.4
61.41833	5.5
61.63501	6.2
61.89352	5.8
63.56541	5.6
65.14654	5.2
67.05179	7.0
67.05511	100.0
69.03423	6.7
69.07053	16.9
70.04085	5.5
71.08637	33.6
71.51041	11.3
73.97970	5.4
79.05492	60.4
81.07062	78.3
83.04952	15.2
83.08614	31.0
84.52594	5.4
85.06528	8.1
91.05464	28.8
93.07044	76.8
95.04979	15.8
95.08595	51.5
97.06535	11.6
97.10165	30.3
99.08087	32.9
105.07014	26.4
107.08591	50.5
109.10139	54.6
117.06960	7.6
119.08591	13.6
121.10138	32.4
125.09641	31.4
131.08630	12.1
133.10114	11.3
135.08058	9.2
135.11694	40.9
140.02617	6.1
143.08527	7.5
145.10136	9.7
147.11668	17.8
149.13249	15.8
151.11182	20.5
153.09090	7.4
159.11633	7.2
161.13261	9.6
179.14339	55.2
185.13219	6.1
202.19656	6.0
203.12788	16.2
241.19571	7.3
259.20465	9.4
277.21652	61.6
310.14664	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	309.2423
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03903	3.8
54.33871	3.3
55.01856	10.4
55.05509	23.6
57.03436	4.1
57.07064	8.7
57.80534	2.7
59.04950	3.7
67.05508	38.3
68.07864	2.5
69.03404	4.5
69.07066	36.2
69.11212	3.4
70.04068	6.3
71.08618	12.4
71.09021	2.6
72.04493	3.0
72.31133	2.9
79.05491	27.9
81.03410	3.3
81.07050	62.6
83.04958	11.0
83.08594	10.3
85.06546	6.2
91.05466	22.9
93.07041	36.4
95.04972	19.4
95.08607	57.8
97.06540	14.5
97.10152	3.6
98.06065	4.2
98.20721	7.1
99.08063	7.3
105.07050	18.8
107.04937	4.6
107.08585	19.7
109.06506	13.3
109.10127	13.7
111.04465	3.2
111.08077	6.8
113.09635	3.3
117.07027	3.8
119.08591	19.0
121.10141	16.2
123.08044	16.1
123.11684	5.3
124.93877	2.8
129.07021	3.3
131.08525	3.9
131.85358	3.0
133.10138	16.2
135.08049	3.3
135.11664	10.2
137.09566	7.2
137.13153	4.0
139.11162	12.0
143.08594	4.8
143.38982	2.9
145.10121	5.6
147.11708	16.5
149.09590	2.7
149.13240	3.4
157.10109	6.6
159.11731	4.3
161.13226	9.2
163.14714	3.5
165.12732	25.8
167.14207	3.2
171.11700	5.0
175.11235	5.4
175.14749	8.1
177.12747	3.0
179.14288	7.3
181.15964	3.6
188.07079	7.0
193.12088	3.7
193.15906	7.4
203.14247	3.5
206.08160	10.2
213.16400	3.4
231.21057	12.7
241.19467	16.2
249.22131	20.7
259.20520	29.9
277.21619	100.0
309.24210	9.5
309.29733	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	14.0
54.04095	10.3
55.01881	73.9
55.02115	9.5
55.05513	38.4
58.78230	9.9
67.05508	79.9
69.07079	53.0
69.56470	9.9
70.04076	12.5
79.05500	28.7
81.03419	15.5
81.07064	100.0
82.52689	9.9
83.04971	14.5
83.08624	26.7
91.05475	37.1
93.07040	43.0
95.04978	25.2
95.08603	53.5
97.06544	93.6
99.01846	10.1
105.07040	48.3
107.08590	33.2
109.10173	36.2
111.08059	19.1
113.29762	11.3
119.08608	33.5
121.10143	24.2
123.11759	19.9
125.09711	11.5
133.10138	13.6
135.11710	24.0
139.11131	17.0
147.11693	48.5
149.09648	12.9
149.13301	19.9
160.64961	10.1
165.12766	26.9
179.14291	13.5
188.07082	13.8
206.08163	32.1
208.25819	12.6
229.27522	16.9
249.22026	13.9
277.21674	81.3
309.24261	33.6
310.14444	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	309.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.9
55.01863	3.0
55.05506	23.1
57.03429	5.5
57.06817	3.8
57.07070	45.6
59.27116	2.4
67.05496	34.4
69.07073	17.2
70.04073	54.4
71.04405	4.0
71.04988	3.6
71.08625	4.2
76.05394	2.3
79.05103	3.2
79.05489	28.5
81.03413	17.5
81.07046	34.7
83.04976	12.7
83.08589	11.1
85.05382	2.5
85.10178	76.9
91.05479	30.5
91.88483	2.4
93.07034	25.3
95.04950	16.6
95.08595	26.4
97.06528	3.5
97.10182	4.7
98.20755	5.1
99.08073	4.4
105.07015	20.4
107.04947	16.8
107.08590	16.3
108.36325	2.4
109.06503	7.0
109.10139	10.0
111.08062	4.4
113.08870	5.6
113.09639	100.0
119.08574	10.6
121.10147	12.0
123.08052	6.7
123.11691	4.1
125.09675	3.1
127.11162	3.7
129.06970	3.6
131.08537	9.2
133.10112	5.2
135.08035	5.2
135.11687	4.9
141.93826	2.7
145.10104	3.4
147.11678	14.2
149.09605	19.4
149.13191	2.7
151.11180	5.2
153.33911	2.4
161.13226	7.1
163.11153	11.6
165.12732	76.6
167.14160	3.4
171.11708	2.4
173.13158	2.6
175.11116	5.0
175.14697	3.4
179.14291	8.0
193.12314	2.6
198.71812	2.6
229.32257	4.0
230.10298	2.6
231.21150	4.2
241.19484	4.6
259.20538	10.0
277.21613	48.5
291.23288	7.2
309.15512	7.7
309.24326	16.0
309.32404	3.8
310.15085	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	309.2209
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
51.02357	2.4
53.03938	4.6
55.01849	2.8
55.05513	13.5
57.03415	4.4
57.07064	4.8
67.05171	2.2
67.05499	27.6
69.00116	2.5
69.03403	3.2
69.07069	19.2
69.96354	9.2
69.96774	4.4
70.04072	31.2
71.04373	2.3
71.04990	2.4
79.05486	29.4
81.03397	3.6
81.07049	41.7
83.04966	2.4
83.08598	9.0
84.10381	2.0
91.04950	3.7
91.05470	41.8
91.56414	2.2
93.06467	3.8
93.07037	66.0
95.04964	51.4
95.08596	39.3
97.06514	18.6
103.05481	3.6
105.07019	84.7
107.08586	32.2
108.09005	2.0
109.06501	12.4
109.10152	17.4
111.08093	2.9
115.05437	6.0
115.69388	2.2
117.07005	14.6
119.07787	3.9
119.08570	59.9
121.06489	9.1
121.10132	100.0
123.08046	13.9
123.11675	7.3
123.27269	2.5
128.06200	9.4
129.07002	12.6
130.07748	7.9
131.08563	41.1
133.10118	45.8
135.08017	3.9
135.11679	11.1
137.29819	2.3
141.06952	7.6
142.07755	17.2
143.08556	28.6
144.09299	4.4
145.10103	44.2
147.08057	3.0
147.11644	10.2
154.07750	2.8
155.08537	11.9
156.09338	13.1
157.10127	38.8
158.10849	5.1
159.07942	2.9
159.11667	41.9
161.09587	5.1
161.13242	8.2
163.11279	2.9
165.06972	4.8
167.08536	5.2
168.09225	3.0
169.10120	18.8
170.10849	5.3
171.11646	20.8
172.12375	3.1
173.09677	4.2
173.13255	21.5
175.11108	2.7
175.14790	5.4
179.08585	6.1
180.09335	3.6
181.10077	7.5
182.10941	4.8
183.11687	17.4
185.09583	2.5
185.13220	9.1
187.11151	10.8
187.14792	22.4
189.12688	3.0
193.10194	4.3
193.12073	3.8
194.10872	4.4
195.11726	8.8
196.12465	5.0
197.09602	4.1
197.13295	16.5
199.14789	10.3
201.12775	3.1
201.16449	3.5
206.10910	4.0
207.11609	5.8
209.13182	12.1
210.13898	2.7
211.14783	8.5
213.16351	3.0
215.14307	4.3
221.13237	6.1
223.14760	3.6
225.16373	7.4
229.15979	2.3
234.14026	2.3
235.14827	7.8
237.16373	3.2
239.14340	6.5
239.17915	5.9
249.16505	3.7
251.14406	2.6
253.15866	5.7
265.19449	3.7
281.22653	9.8
291.21082	15.8
309.15497	7.4
309.22070	81.3
309.25516	4.2
310.15033	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.0
55.01860	2.6
55.05510	13.4
57.03428	5.3
57.07066	4.6
65.03928	3.0
67.05508	24.1
69.07055	20.0
69.90686	9.6
70.04074	36.8
71.04388	3.6
79.05489	32.4
81.03398	3.7
81.07056	38.5
83.04954	2.1
83.08606	6.9
88.47018	1.7
88.56810	1.6
91.05476	40.2
93.07046	67.0
95.04971	45.2
95.08607	29.0
97.06526	19.7
103.05466	5.1
105.07024	81.7
107.04935	2.5
107.08583	35.7
109.06509	13.1
109.10168	19.4
115.05441	6.2
116.06246	2.6
117.07006	15.2
119.08572	50.3
120.08815	1.9
121.06488	8.5
121.10139	100.0
123.08033	11.5
123.11696	5.1
128.06207	9.0
129.07018	12.6
130.07784	4.7
131.08565	28.5
133.10123	36.2
135.08046	2.6
135.11653	9.4
137.09662	2.1
141.06964	7.9
142.07797	14.7
143.08553	29.0
144.09271	6.1
145.10117	45.5
147.08038	6.3
147.11647	15.2
149.09535	3.4
154.07738	2.7
155.08530	11.3
156.09344	8.7
157.10120	29.7
158.10832	5.3
159.08026	4.6
159.11684	29.9
161.09604	7.4
161.13257	7.7
165.06967	2.2
167.08565	3.7
168.09361	3.8
169.10127	17.6
170.10855	3.0
171.11673	15.7
173.13271	14.5
175.11221	1.9
175.14838	7.2
179.08369	2.2
181.10089	7.7
183.11697	12.3
183.17628	2.3
184.12411	2.5
185.09589	2.0
185.13239	10.4
187.11172	8.2
187.14821	17.9
189.12741	4.8
193.10094	6.3
194.10965	1.8
195.11700	5.7
197.13257	12.1
199.14818	9.7
201.12724	4.4
207.11693	5.5
208.12515	1.9
209.13243	6.1
211.14841	6.2
213.16270	3.9
220.12390	3.0
221.13242	4.9
223.14854	4.3
225.12830	2.4
225.16466	3.7
234.13821	2.6
235.14784	6.1
239.18015	3.4
249.16312	2.2
253.15823	3.0
253.19421	2.5
265.19531	4.0
277.21524	2.4
281.22580	6.2
291.21152	10.3
309.15594	6.2
309.22107	66.2
310.15082	4.0
310.22455	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	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.82920	4.0
53.03934	6.0
55.01878	5.1
55.05503	15.2
56.96551	11.8
57.03443	32.1
57.82462	3.9
67.05505	56.4
69.03423	7.6
69.07066	15.5
69.38193	38.5
69.47390	3.8
70.04057	4.3
71.04987	9.7
79.05496	65.6
81.07050	63.3
83.04970	9.5
83.08611	11.4
85.06550	15.4
91.05479	53.9
93.07044	55.1
95.04959	13.5
95.08603	100.0
97.06520	12.0
99.08102	4.2
101.06074	4.8
105.07023	40.6
106.23860	3.9
107.04956	7.8
107.08597	96.1
109.06519	26.1
109.10157	18.5
111.08073	9.9
117.07029	12.9
119.08575	28.0
121.06485	7.1
121.10168	17.2
123.08085	16.5
123.11783	6.1
125.09637	5.0
131.08582	29.0
133.06438	4.6
133.10133	30.8
135.08035	6.7
135.11693	13.6
137.09569	6.1
141.09036	6.4
145.10115	23.8
147.11687	16.4
149.09660	7.5
149.13295	7.4
151.09833	5.1
151.11121	6.6
152.02986	3.8
157.10149	7.2
159.10190	19.7
159.11702	12.4
161.09604	5.6
161.13271	12.4
163.11177	6.9
171.11681	6.3
173.13277	15.2
185.13159	5.1
189.16397	7.6
217.15953	7.2
227.18002	10.0
235.16864	4.9
237.14809	20.5
245.19057	16.8
255.17470	5.3
263.20178	29.7
263.37714	4.1
273.18524	12.2
291.19577	37.7
309.17636	5.7
309.20599	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	309.2056
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03925	7.0
55.01863	5.9
55.05301	2.6
55.05512	33.5
57.03430	25.9
57.07061	10.0
58.65892	2.4
59.04998	3.9
65.03925	5.9
67.05502	88.8
69.03423	5.1
69.07062	44.3
69.41850	24.9
70.04073	69.6
71.04401	3.6
71.04976	8.2
73.06567	2.8
74.67239	2.4
79.05489	78.9
81.03407	3.7
81.07053	99.8
83.04970	11.1
83.08611	18.2
85.06536	6.7
87.35561	2.3
91.05471	100.0
91.18536	2.7
92.05806	3.4
93.07036	86.5
95.04951	17.1
95.07984	4.7
95.08599	80.1
97.06534	13.1
97.10152	9.8
97.21159	2.3
99.04440	3.6
99.08082	6.8
99.44961	2.4
105.07029	47.7
107.04935	8.3
107.08581	44.3
109.06490	15.1
109.10150	25.7
111.02652	3.5
111.04411	5.6
111.08080	6.3
111.83263	2.9
113.05980	3.2
117.07014	36.9
119.07775	5.0
119.08574	62.7
121.06460	4.6
121.10128	53.9
123.04385	4.1
123.08077	14.2
123.11675	5.1
125.01540	7.6
125.09596	4.9
126.01826	4.8
127.01259	13.7
128.06177	2.5
129.07033	12.0
131.08559	34.1
133.06474	3.3
133.10120	38.2
135.08043	6.7
135.11674	14.3
137.09627	8.9
139.11160	2.7
143.08572	11.4
145.10110	11.5
147.08080	3.8
147.11674	15.3
149.09627	4.8
151.11151	3.6
153.09131	3.0
157.10139	17.0
159.11662	5.9
161.09605	2.9
161.13306	3.4
163.11156	5.7
164.98433	4.8
171.11700	5.7
172.34825	2.5
173.13275	7.4
175.11194	4.6
175.14896	3.8
189.16354	18.5
193.12228	6.5
199.14807	20.5
217.15820	20.8
219.17464	3.2
235.16846	15.1
263.20084	4.0
273.18488	10.0
291.19543	24.3
309.15527	14.7
309.20596	59.4
310.14908	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	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03941	9.1
55.01875	9.6
55.05513	51.2
57.03436	35.4
65.03950	4.5
67.05510	100.0
69.03429	24.4
69.07069	48.5
70.50375	15.4
71.04974	7.9
79.05498	55.7
81.03426	14.8
81.07056	92.1
83.04983	8.9
83.08633	20.8
85.06551	11.4
91.05479	52.3
93.07043	58.6
95.04980	17.8
95.08615	54.3
97.06547	11.2
97.10190	11.4
105.07040	34.6
107.04971	45.3
107.08598	25.7
109.06508	15.5
109.10167	24.2
111.04409	7.6
111.08105	8.2
117.07041	14.3
119.08585	28.3
121.06498	8.9
121.10128	22.0
123.08060	11.0
123.11729	7.6
129.07019	9.0
131.08609	19.6
133.06523	5.7
133.10133	17.0
133.37094	4.0
135.08064	11.4
135.11746	10.5
139.60938	4.4
143.08585	5.9
145.10135	16.0
147.08080	9.0
147.11736	5.0
149.09607	12.4
151.11165	4.7
152.04088	4.3
153.12714	4.7
157.10164	7.9
159.11725	6.8
161.09637	7.3
161.13263	7.3
163.11169	7.5
165.06935	6.0
171.11775	7.0
175.11111	6.5
181.12387	4.0
183.08083	13.5
185.13281	4.5
187.14777	4.6
189.12746	4.7
193.12228	9.5
194.97455	4.1
205.15878	5.4
221.15382	5.5
227.17873	4.2
245.19034	8.9
263.20050	5.8
273.18439	24.1
291.19577	33.5
292.81528	4.0
309.20697	15.4
309.24289	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	309.2056
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
52.40894	1.7
52.73483	2.1
53.03924	6.2
55.01851	7.4
55.05504	27.1
56.96556	2.2
57.03436	27.1
57.07072	28.0
58.07393	3.8
59.04979	5.8
65.03910	3.4
67.05164	2.9
67.05501	41.8
69.03076	2.3
69.03427	27.4
69.07060	77.1
70.04070	100.0
70.07383	13.2
70.07762	3.6
71.03787	4.2
71.04404	11.7
71.04969	5.6
75.76862	2.0
79.05049	3.7
79.05485	49.6
81.03399	6.2
81.06570	3.8
81.07047	57.0
83.04974	4.7
83.08626	10.4
85.06526	7.5
91.05471	49.5
93.06467	3.4
93.07031	53.3
95.04962	17.0
95.08599	45.0
97.06532	10.5
97.10124	6.1
98.70727	2.1
98.99933	2.7
99.08038	2.9
103.05445	3.1
105.07011	30.3
107.04942	83.6
107.08566	26.2
109.06522	24.8
109.10136	12.4
111.04379	2.3
113.05971	4.9
115.05418	4.6
115.07568	11.5
116.07874	2.5
117.07028	13.3
119.04932	2.1
119.08567	19.7
121.06490	10.8
121.10123	21.0
122.66879	2.0
123.04433	2.9
123.08044	6.8
123.11729	2.8
125.09582	4.0
125.76674	1.8
126.99419	4.5
127.99755	2.6
128.99139	3.8
129.01042	4.0
129.06970	10.4
130.01363	2.3
131.00728	3.9
131.04904	2.3
131.08557	24.9
133.06480	8.9
133.10106	11.3
134.37991	1.8
135.08035	11.1
135.11671	6.4
136.08258	1.9
137.09604	4.2
139.03024	3.0
141.01004	3.8
141.06960	2.6
142.01413	3.5
142.07712	2.1
143.00681	7.2
143.08534	7.6
145.06503	1.9
145.10117	13.4
147.08051	9.9
147.11646	9.5
149.09598	11.5
155.08566	2.2
157.02327	3.6
157.10107	9.1
159.07996	2.8
159.11656	8.4
160.34258	2.2
161.09570	7.1
161.13269	6.0
161.50798	2.0
163.11162	4.6
165.09094	2.7
171.11664	8.1
173.13188	3.0
175.11154	5.5
181.12146	3.0
185.09563	2.1
185.13246	5.6
187.13055	2.0
187.14783	6.4
187.81313	2.2
189.12723	4.9
193.12270	6.6
197.07253	9.0
198.07637	16.9
199.06953	21.5
201.12814	3.3
203.14291	5.3
205.15858	6.5
217.15874	9.4
221.15274	4.1
245.19003	6.1
249.14867	9.8
255.17529	2.5
263.19928	4.1
273.18399	22.5
291.19476	39.5
309.11832	19.9
309.15390	10.4
309.20627	16.0
309.24023	4.0
310.11267	20.3
310.14871	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	309.2057
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03936	20.4
55.01864	9.5
55.05503	24.9
57.03176	8.2
57.03434	59.7
58.78538	4.7
59.84507	5.4
61.41198	4.7
66.02619	5.6
67.05502	64.2
69.07073	25.5
70.28997	21.4
71.04993	6.8
72.09761	4.8
73.06586	5.7
78.39214	4.7
79.05502	71.9
81.03428	25.3
81.07056	100.0
81.30975	5.3
83.04980	14.1
83.08617	10.2
85.06540	24.1
87.04478	6.4
91.05473	70.3
93.07038	100.0
93.88812	5.4
95.04948	32.4
95.08600	54.4
97.06526	21.4
97.10180	7.3
99.08110	8.7
101.06053	6.4
105.07033	51.6
107.04949	11.4
107.08592	50.5
109.06499	35.7
109.10157	23.5
113.06002	7.2
117.07035	16.8
119.08591	37.8
121.06536	7.8
121.10122	29.0
123.08070	21.5
125.09628	11.5
129.07021	8.1
131.08574	38.2
133.10098	36.6
135.08119	6.3
135.11752	6.0
137.09669	9.7
143.08533	11.0
145.10139	28.7
147.11716	26.3
149.09645	7.7
149.13242	7.5
151.11230	9.1
157.10124	13.2
159.11693	15.9
161.13181	8.3
171.11661	9.5
173.13264	24.4
175.11229	8.1
178.06519	5.3
185.13184	5.6
188.79065	5.8
189.16368	13.1
193.12230	9.6
207.17375	9.0
217.15933	9.0
227.17966	9.9
237.14908	41.8
245.18947	9.5
263.20071	40.0
273.18558	10.1
291.19626	52.4
292.19919	5.7
309.20642	93.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03933	10.2
55.01881	9.0
55.05505	40.2
57.03436	41.3
67.05505	87.9
69.03456	7.3
69.07061	27.4
70.12115	39.7
76.97062	8.5
79.05489	78.5
81.07044	100.0
83.04980	14.8
83.08600	15.5
84.94227	9.6
90.25307	7.5
91.05479	85.7
93.07047	80.3
95.04954	16.0
95.08598	58.0
97.06538	16.1
97.10156	15.6
102.98981	8.2
105.07040	51.7
107.08569	49.3
109.06503	20.0
109.10137	24.0
117.07037	17.9
119.08585	58.4
121.10153	31.2
123.08056	19.8
123.94289	7.8
125.09660	15.2
129.06963	14.2
131.08562	27.8
133.06479	7.2
133.10120	40.2
133.11011	7.6
135.08054	14.8
135.11754	12.7
137.09569	11.7
143.08546	19.8
145.10077	18.2
147.11671	14.9
157.10060	15.2
163.11151	9.9
175.11232	9.5
189.16382	15.9
199.14719	14.0
200.73442	8.1
217.15907	21.4
227.17821	9.9
235.16806	8.8
273.18427	29.8
291.19531	29.2
309.20361	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	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03939	14.2
53.94915	1.6
54.83575	1.8
55.01871	13.7
55.05507	11.1
57.03436	17.6
60.51286	1.7
62.47694	1.7
67.05164	3.4
67.05500	48.3
68.11047	1.6
68.61638	1.6
69.03426	4.8
69.07071	12.3
69.39091	15.2
70.04070	5.2
71.04982	10.6
71.34348	1.8
79.05493	41.3
81.03413	30.9
81.07052	100.0
82.07388	2.0
83.04988	11.1
83.08610	6.8
85.06548	6.8
91.05478	26.5
93.07036	31.8
95.04960	15.6
95.08597	33.5
97.06535	15.8
97.10156	2.4
98.21437	3.1
99.04459	4.8
99.08081	6.4
105.07027	24.4
107.04955	15.0
107.08586	18.8
109.06510	60.4
109.10165	10.6
111.04458	20.2
111.08054	4.3
111.22434	1.7
112.05099	2.0
113.06027	2.6
115.05499	2.3
117.07003	13.4
117.07701	2.3
119.08569	16.7
121.06468	9.4
121.10148	13.1
123.04445	2.1
123.08073	13.0
125.09612	3.6
127.07498	2.3
129.07025	3.3
131.08574	16.5
133.06424	2.4
133.10146	12.6
135.08051	18.7
135.11696	9.0
137.09605	3.7
141.07028	5.1
143.08527	6.3
145.06487	6.5
145.10129	8.3
147.08014	2.5
147.11752	3.6
149.09621	5.7
149.13242	4.0
151.11154	4.8
153.09102	3.4
155.08484	3.0
157.10133	6.2
159.08005	3.1
159.11679	8.7
161.09642	6.2
163.11198	3.7
167.10678	1.8
169.10155	4.8
171.11768	3.1
177.12769	5.5
185.13309	2.4
187.11223	6.8
189.11176	2.4
189.16455	2.1
191.53206	2.0
195.13826	4.6
199.14871	3.4
217.15851	8.3
219.13841	3.1
221.15337	3.0
233.15431	2.0
241.14273	3.1
245.19096	3.4
255.17500	4.4
263.19946	6.4
273.18475	20.8
291.19507	54.7
309.20532	15.8
310.10950	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03937	9.5
55.01862	11.6
55.05515	36.1
57.03432	13.0
57.07071	5.1
62.55199	2.8
65.03941	4.3
67.05504	84.8
69.03419	4.0
69.07076	32.7
69.95246	17.9
70.04079	21.0
79.05499	44.9
80.05837	3.9
81.03410	4.4
81.07058	100.0
82.54459	2.9
83.04990	9.2
83.08635	15.8
85.06555	7.5
91.05483	44.0
93.07050	43.6
95.04961	13.9
95.08614	45.5
97.02889	3.9
97.06540	9.6
97.10172	6.5
105.07021	38.3
107.04977	11.6
107.08605	35.0
109.06527	12.2
109.10163	50.3
111.04416	4.8
111.08089	6.6
113.30772	3.3
117.07047	5.0
119.08591	18.9
121.06521	7.9
121.10159	10.5
123.08112	4.3
123.11696	12.5
125.09641	4.8
129.06969	4.1
131.08598	8.3
133.10150	47.5
135.08040	4.2
135.11691	9.7
137.09608	4.9
139.07498	5.4
143.08539	4.3
145.10132	9.7
147.08066	8.9
147.11690	7.3
151.11166	24.8
157.10054	4.4
159.11568	3.0
161.09644	5.3
161.13239	5.8
169.12231	6.9
173.09660	3.7
175.11200	5.2
175.14967	3.4
181.08606	3.7
188.07161	6.9
199.97638	2.9
206.08128	9.8
245.18982	7.0
263.20145	9.1
273.18423	19.1
276.37421	3.1
291.19495	38.7
309.20663	12.7
309.24255	36.4
310.10767	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2057
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03941	1.1
55.01871	5.8
55.02077	1.1
55.05507	29.6
57.03425	1.8
59.04998	1.4
60.23381	1.1
63.68377	1.1
65.60300	1.1
67.05505	12.0
69.03425	2.7
69.07056	11.6
69.85918	2.3
69.86316	6.4
70.04072	30.3
70.55618	1.2
71.03767	1.9
71.04401	3.8
74.69986	1.0
79.05122	1.4
79.05499	15.9
81.03407	3.6
81.07053	19.8
83.04960	4.3
83.08611	16.8
84.08956	1.7
91.05475	9.9
92.92846	1.0
93.07039	10.5
95.04955	4.1
95.08624	6.0
97.06528	1.8
97.10165	22.8
101.09628	1.3
105.07023	7.6
107.04938	3.1
107.08573	10.1
109.06507	2.7
109.10146	3.4
111.04411	2.5
111.08082	1.7
117.06998	3.9
117.71184	1.2
119.08543	5.6
121.06474	2.9
121.10123	4.9
123.04468	1.7
123.08048	6.5
125.01520	1.5
125.09615	17.9
129.07021	2.3
131.08543	4.4
133.06477	2.8
133.10098	3.6
135.08022	2.5
135.11679	1.4
137.09566	1.8
143.08485	1.7
145.10103	3.4
147.08063	4.1
147.11690	4.8
149.09572	1.5
157.10075	2.2
161.09653	1.4
162.10463	1.7
163.11125	1.9
165.09117	3.7
173.09572	1.2
175.11200	2.7
189.11209	11.7
189.12749	1.8
223.13261	2.8
227.17776	1.6
245.18971	2.0
247.84525	1.3
250.66992	1.1
263.20071	1.4
273.18500	8.9
291.19522	100.0
292.19873	4.6
309.15576	6.3
309.20605	7.2
310.14838	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	309.2055
Annotation	Albocycline
Peak:m/z	Relative Intensity
55.01865	2.9
55.05494	4.8
57.03432	30.1
65.03918	1.9
67.05169	2.1
67.05498	25.0
69.03423	3.1
69.07052	3.8
70.04073	32.8
70.50500	7.3
71.04985	6.1
75.70528	2.1
79.05471	12.5
81.07064	13.1
83.08602	2.5
85.06538	33.1
91.05472	10.3
93.07019	9.4
95.04964	35.4
95.08598	6.6
97.06491	2.5
105.07059	9.2
107.04949	4.0
107.08591	10.2
107.18767	1.8
109.06506	35.9
109.10147	3.3
113.05999	100.0
117.07005	3.3
119.08570	5.3
120.59145	1.9
121.10115	3.0
123.08061	1.6
127.54369	1.9
129.06970	5.2
131.08583	9.3
133.10121	3.3
135.08051	29.2
135.11720	3.8
137.05971	13.6
138.06308	14.0
139.06516	16.0
140.06784	8.0
143.08534	4.5
145.10089	4.4
147.07973	2.6
149.09625	3.2
154.98906	4.4
157.10114	2.4
161.09610	5.4
171.11768	2.9
172.65352	1.7
175.11194	2.6
195.24777	1.7
195.26877	1.8
199.14812	2.3
217.15887	10.2
227.17935	2.5
263.95743	1.9
268.06885	2.3
273.18488	11.4
286.07935	2.5
291.19534	48.2
299.90771	1.9
301.38028	1.7
310.23969	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	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03949	4.2
55.01871	5.0
55.05515	18.2
57.03439	27.0
67.05503	40.5
69.03419	16.0
69.07050	8.0
70.58014	11.8
79.05493	53.3
81.03442	3.9
81.07061	100.0
83.04972	8.6
83.08616	6.5
85.06545	13.3
91.05492	34.3
93.07038	29.2
95.04974	17.8
95.08600	26.6
97.06518	6.0
97.10230	4.4
98.21428	3.2
105.07022	21.7
107.08586	27.1
109.06522	73.2
109.10114	8.1
111.04511	5.0
111.08089	5.4
113.06022	34.2
117.07040	8.7
119.08582	29.3
121.10143	18.2
123.08064	9.1
125.09688	4.8
129.07045	6.8
131.08597	9.7
133.10136	17.3
135.08105	18.2
135.11752	4.7
137.09598	5.7
139.30421	3.7
143.08528	6.4
145.10115	9.3
147.08093	6.6
147.11710	7.6
157.10104	7.6
159.11681	4.5
161.09601	6.1
163.11256	4.7
175.14796	3.6
179.14301	9.7
189.16389	8.0
199.14857	8.0
207.17485	4.9
217.15880	14.4
235.16914	25.9
263.19955	4.2
273.18542	8.5
279.39749	3.4
291.19492	22.5
309.20755	17.2
312.40714	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	309.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.0
55.01869	4.2
55.05516	21.1
57.03441	25.5
59.04995	3.4
60.37060	2.3
65.03954	2.3
67.05505	42.3
69.03421	27.7
69.07065	12.7
70.04079	100.0
70.08749	1.9
70.16114	11.0
71.03761	5.7
71.04398	8.7
71.04987	5.2
79.05068	3.4
79.05492	46.8
81.03440	3.6
81.07057	47.5
83.04973	4.8
83.08609	7.7
85.06528	4.3
86.33564	2.1
86.65105	2.3
91.05484	33.3
93.07034	42.9
95.04955	9.0
95.08614	37.8
97.06501	3.0
97.10165	4.8
105.07024	20.8
107.04951	43.1
107.08591	21.2
109.06503	9.8
109.10156	16.8
111.08024	3.0
113.06001	2.6
117.07023	12.3
119.08562	17.6
121.06497	6.5
121.10149	18.9
123.08074	4.7
123.11707	3.1
125.09627	3.2
126.01897	2.8
129.06996	9.0
130.02348	2.5
131.08589	17.3
132.41777	2.2
133.06479	4.3
133.10165	13.7
135.08061	7.3
135.11726	3.8
143.08514	10.7
145.10129	13.4
145.61499	2.4
147.08032	8.7
147.11652	6.8
149.09624	8.4
157.10132	6.8
159.11664	6.4
161.09625	8.7
161.13225	4.7
163.11160	2.6
171.11682	5.2
174.98531	3.1
175.11108	3.5
185.13293	5.4
189.12659	4.0
193.12151	2.3
203.14252	3.7
205.15887	4.8
213.00111	4.5
217.15840	10.1
221.15334	4.6
227.18074	3.1
245.18999	7.3
249.14841	5.5
255.17688	3.7
263.20120	5.3
273.18463	20.5
291.19540	24.5
301.01657	6.4
309.15668	20.4
309.20786	4.8
310.14725	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	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.67097	1.8
53.03947	8.0
55.01861	9.8
55.05508	24.6
57.03435	11.2
60.54403	1.6
65.03924	1.9
65.59023	1.6
67.05495	35.6
67.05827	3.2
67.56154	1.4
68.34776	1.4
69.03422	5.7
69.07069	15.0
70.01239	1.4
70.04079	3.0
71.05041	8.7
79.05127	1.4
79.05486	47.1
81.03411	16.7
81.07050	100.0
82.07388	2.1
83.04971	8.6
83.08620	11.1
83.15092	1.5
85.02903	2.5
85.06538	4.0
88.65642	1.8
88.94556	1.5
91.05463	21.4
93.07037	37.1
95.04951	16.4
95.08604	20.7
97.06521	12.3
97.10168	15.0
99.08078	5.4
105.07028	16.9
106.14121	1.7
107.04947	7.8
107.08588	19.4
109.06506	56.0
109.10149	10.6
111.04431	3.9
111.08064	4.9
111.40044	1.5
113.06002	6.1
117.06998	8.9
119.08566	16.1
121.06506	5.8
121.10127	17.2
123.08051	16.6
125.09610	11.4
129.07019	5.6
131.08566	12.9
133.06453	2.0
133.10127	6.1
135.08080	10.4
135.11702	6.1
137.09593	3.4
143.08563	2.7
145.06477	4.4
145.10124	8.4
147.08037	3.2
147.11673	7.0
149.09593	6.2
149.13234	4.5
151.11162	1.9
153.09015	2.1
157.10149	3.3
159.11714	5.7
161.09573	5.1
163.11191	6.6
165.09071	2.5
167.10674	2.0
171.11610	2.5
173.13239	1.8
177.12682	2.3
181.12315	2.1
187.11143	2.5
189.11250	10.0
189.12704	2.4
193.12273	5.2
199.14822	3.4
217.15884	6.5
235.16870	3.1
245.18970	2.5
249.54567	1.7
255.17516	1.7
266.21078	2.5
273.18558	17.4
291.19492	47.9
292.19910	2.9
309.20554	25.6
310.23767	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	308.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
55.01845	3.2
55.05506	29.9
55.97703	3.0
56.05043	4.0
57.07076	4.8
59.31366	3.3
61.82938	3.3
65.03937	6.3
67.05171	5.8
67.05502	78.6
69.07064	100.0
70.04076	93.8
70.06587	4.2
71.04986	7.3
71.58796	4.5
71.59191	3.3
76.02209	4.2
79.05492	49.1
80.05021	19.1
81.03424	4.9
81.07055	76.2
82.06604	4.7
83.08615	11.5
91.05477	28.2
92.04984	10.1
93.07043	50.9
94.06560	9.6
95.04959	9.1
95.08601	24.4
97.06499	3.7
97.10165	11.7
98.06028	5.9
103.48167	3.3
105.07012	15.8
106.06561	15.9
107.08577	22.4
108.08140	6.8
109.06487	5.4
109.10155	14.2
110.09694	3.9
111.08157	4.3
117.07051	17.7
118.06554	5.0
119.08578	10.7
120.08094	11.6
121.10146	10.5
123.08095	5.9
125.09549	8.1
131.08556	12.5
133.10132	9.1
134.09657	13.5
135.08060	4.1
135.11690	12.8
137.05916	4.4
145.10112	4.6
148.11220	14.4
149.13275	8.4
159.11702	16.8
176.14343	33.8
177.12779	3.8
184.07297	4.4
189.11182	7.3
198.66338	3.3
204.13843	12.8
206.16364	3.2
222.14883	48.7
249.09155	6.4
273.18564	9.2
290.21136	39.0
291.19495	36.4
308.09134	4.0
308.15363	16.1
308.22095	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	309.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04535	3.0
62.86794	2.8
69.07037	2.9
70.04066	9.1
70.06581	11.5
71.51250	2.6
72.08146	9.2
76.02219	4.9
79.05479	4.1
84.04490	10.2
84.08138	28.9
86.09705	10.4
95.53764	2.7
105.07021	3.8
107.04955	24.7
110.07153	3.5
116.01675	5.0
120.08085	4.9
123.04420	3.0
127.60059	3.2
129.10237	4.8
133.06482	17.1
133.07516	3.3
136.06194	6.0
136.07529	3.9
146.05969	5.3
162.05525	4.1
172.41736	2.5
179.04762	3.7
188.07030	4.0
204.84016	3.1
206.08041	6.1
219.07593	4.5
230.09433	2.8
243.16942	5.7
250.09354	3.9
309.09399	100.0
309.12210	3.7
310.10239	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	309.1302
Annotation	NECA
Peak:m/z	Relative Intensity
54.76670	0.7
55.01867	2.2
56.55177	0.8
57.03422	3.1
57.48303	0.8
65.96544	0.7
69.03408	1.7
70.04058	1.1
70.06580	5.0
70.83614	2.3
71.01366	1.1
71.27122	0.7
72.08150	2.5
73.02913	2.4
76.02229	1.2
77.24995	0.9
79.03002	0.9
84.04500	2.2
84.08133	4.7
85.02892	3.1
86.09706	1.2
94.04085	1.0
96.04483	0.8
97.02917	1.3
107.04939	3.8
108.05574	1.7
109.05136	5.6
110.07185	1.3
116.07040	0.7
116.13335	0.8
119.03546	1.6
121.05107	5.4
122.07160	1.1
123.06671	1.2
126.05536	1.0
129.10242	1.4
130.04994	1.3
133.05055	2.7
135.05583	1.4
135.06644	8.7
136.06180	36.8
137.04597	1.3
137.07016	8.7
138.07750	7.0
148.06134	2.5
150.07736	8.4
151.06117	2.0
154.50555	0.8
160.06187	51.9
162.02214	1.0
162.07707	5.1
166.07260	2.0
167.90553	0.9
176.09264	0.8
177.08836	100.0
178.07149	2.0
178.09323	1.0
178.56006	0.8
219.09833	0.9
269.11200	2.0
291.12082	1.4
292.10342	1.8
300.10565	0.9
309.09512	1.3
309.13019	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	308.2218
Annotation	2-(4-Hydroxyphenyl)-1-nitroethane
Peak:m/z	Relative Intensity
53.03941	1.2
55.01866	0.7
55.05258	0.6
55.05508	9.2
56.05035	0.5
57.03435	0.5
57.07072	2.0
58.89788	0.3
59.04991	2.2
65.03940	1.2
67.05499	6.5
68.05016	0.4
69.03400	0.3
69.07062	9.2
70.04071	100.0
71.04389	0.6
71.04996	0.4
72.83939	0.3
77.19159	0.3
79.05487	12.9
80.05006	2.1
81.03458	0.3
81.07053	6.4
82.06579	1.1
83.04970	1.1
83.08614	4.6
85.06525	0.5
91.05469	5.8
92.04986	2.4
93.05781	1.1
93.07040	7.4
94.06568	1.5
94.07391	0.4
95.04971	2.8
95.08585	3.1
96.04496	0.8
96.08105	0.4
97.06512	0.6
97.10168	4.7
98.06059	0.6
98.21496	1.1
99.08060	0.4
103.05497	0.4
105.04488	0.4
105.07001	2.1
106.06554	3.4
107.04970	0.7
107.07340	0.5
107.08593	2.2
108.08121	1.3
108.08784	0.4
109.06519	1.0
109.10146	1.2
110.06054	0.5
110.06816	0.4
111.08088	0.6
115.05432	1.0
116.06204	1.1
117.07027	1.7
118.06533	1.5
119.07307	0.4
119.08589	1.3
120.08117	2.4
121.10139	2.4
123.08101	0.5
123.11755	0.4
125.01543	5.7
125.09640	4.3
129.06999	0.6
131.07631	0.4
131.08559	2.9
132.08066	1.0
133.08910	0.8
133.10117	0.9
134.09613	1.1
135.11728	0.6
137.09618	0.4
138.09940	0.5
138.12770	0.7
139.03059	0.7
143.10678	0.6
145.10072	0.4
146.09630	0.8
148.11189	9.6
149.13191	0.3
151.03072	2.4
159.11679	1.0
165.04692	0.7
165.12753	0.8
166.13109	0.8
176.14317	2.7
183.94672	0.4
186.12793	0.5
204.13820	3.1
222.14853	3.4
229.24239	0.3
229.26781	0.3
272.20074	0.7
276.20230	0.5
290.21118	11.1
308.15219	26.6
308.22415	3.0
308.28647	1.0
309.15558	1.5
309.24149	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2215
Annotation	2-(4-Hydroxyphenyl)-1-nitroethane
Peak:m/z	Relative Intensity
53.03949	0.6
55.01876	0.3
55.05503	3.5
56.05034	0.6
57.07074	2.3
58.95489	0.3
59.04998	1.1
61.43660	0.3
65.03934	0.9
67.05503	11.5
67.38712	0.3
69.07064	11.3
69.86596	2.0
70.04070	100.0
71.04401	0.8
71.04980	0.7
79.05485	5.1
80.05013	2.6
81.03433	0.4
81.07051	10.9
82.06598	0.5
82.14126	0.3
83.04986	0.7
83.08606	1.6
85.06531	0.5
87.86023	0.3
87.92821	0.3
91.05477	3.4
92.05007	0.5
93.05768	0.6
93.07030	6.3
94.06556	1.6
95.04958	1.4
95.08590	3.8
96.04465	0.5
96.08134	1.1
98.06074	0.7
105.07014	1.8
106.06577	1.9
107.08585	2.8
108.02086	0.4
108.08124	0.7
109.10156	1.2
111.08110	0.4
115.05448	0.5
116.06226	0.9
117.06999	2.3
118.06517	0.3
119.08584	0.6
120.08067	1.7
121.06503	0.5
121.10160	1.0
123.26370	0.3
125.01532	6.4
129.07057	0.3
130.07817	0.6
131.08580	1.8
132.08076	0.7
133.10158	1.1
134.09660	1.3
135.11647	2.1
135.29913	0.3
139.03087	0.6
144.09308	0.6
147.72032	0.3
148.11194	1.6
149.13255	1.7
151.03111	2.1
152.08272	0.4
155.02608	0.6
159.11754	1.8
165.04637	0.7
175.11212	0.3
176.14371	4.3
177.12724	0.7
194.15408	0.4
204.13853	1.5
204.47839	0.3
211.08934	0.7
222.14885	5.0
290.21112	10.1
308.15207	28.2
309.15509	1.8
325.62833	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01866	2.1
55.05505	13.5
56.05029	0.4
57.03431	0.5
57.07071	2.3
59.05007	1.7
65.03941	0.9
67.05499	6.7
68.05006	0.4
68.05809	0.5
68.53136	0.3
69.03425	1.0
69.07062	6.8
69.43758	1.9
69.44183	0.8
70.04069	100.0
70.07391	0.3
70.67522	0.3
71.03781	0.4
71.04395	0.6
71.08633	0.4
76.02231	0.4
79.05483	18.0
80.05007	1.0
80.05818	1.5
81.07043	6.5
82.06577	2.0
82.07363	0.8
83.04972	0.7
83.08612	4.8
91.05466	7.8
92.04991	1.4
92.05819	0.4
93.05768	0.7
93.07034	12.0
94.06563	1.4
94.07359	0.7
95.04946	2.7
95.08595	1.8
96.08939	0.7
97.06526	0.8
97.10159	7.4
98.10475	0.5
98.20680	0.6
101.09681	0.3
103.05437	0.5
104.16589	0.3
105.04504	0.7
105.07030	2.7
106.06541	3.6
106.07275	0.7
107.07370	0.6
107.08576	6.5
108.08112	0.9
108.08916	2.2
109.06493	0.6
109.10151	1.0
110.10517	0.4
115.05441	0.5
116.06225	1.3
117.07000	1.4
118.06540	1.0
118.07307	0.5
119.07288	0.5
119.08581	1.8
120.08086	1.5
120.08851	0.6
121.10097	2.6
125.01522	6.7
125.09613	6.2
126.09906	0.6
129.07047	0.8
131.08592	2.7
132.08092	1.4
133.08904	0.8
133.10095	1.4
134.09627	0.5
134.10487	0.8
135.08055	0.5
135.11635	0.3
136.08450	0.4
139.03090	1.1
143.10637	0.9
145.10141	0.8
146.09544	0.6
147.11633	0.8
148.10126	0.3
148.11180	7.5
148.12273	0.5
149.09569	1.2
150.09935	0.7
151.03087	2.8
151.11208	0.4
156.96817	0.4
159.11667	0.8
160.12006	0.6
161.09573	0.4
162.12685	0.4
165.04663	0.9
176.14282	1.4
203.12732	0.6
204.13840	1.6
222.14899	1.9
258.19370	0.9
264.32300	0.5
272.20071	0.7
276.20316	4.7
290.21078	5.3
291.19345	0.4
308.15204	28.3
308.22568	2.5
309.15637	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	308.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85397	1.7
55.05510	5.2
55.93513	2.1
56.96288	3.5
56.96566	66.3
57.07064	7.7
64.69259	1.5
67.05501	5.7
69.03422	2.2
69.07063	25.4
70.04077	82.7
70.05367	1.8
70.07835	2.0
70.95858	2.6
71.60154	3.1
71.95256	7.6
72.93787	7.5
76.02225	9.7
79.05499	5.6
81.07060	8.6
84.04495	4.1
84.96001	3.0
90.94817	4.6
91.05473	6.6
93.07029	5.4
95.04965	3.6
95.08615	5.8
96.60430	1.7
97.06444	2.0
103.05445	1.7
105.07028	3.2
107.04974	3.9
107.08576	3.4
109.06506	3.2
115.07563	4.0
116.01663	3.2
116.98614	1.7
119.08569	3.8
121.06507	2.0
121.10149	2.8
125.01532	5.8
126.99474	2.0
129.00989	4.1
130.04994	2.7
131.08563	1.9
133.10133	2.1
134.99666	2.2
141.01012	2.9
141.02242	1.7
151.03139	2.8
155.02615	2.3
155.03810	3.9
157.01732	2.4
159.03281	4.2
162.02220	4.8
169.03485	3.2
172.98984	2.0
177.04503	1.9
178.97884	1.9
179.04881	7.3
183.07178	1.8
185.04893	3.6
189.04369	4.2
197.07259	13.2
199.02681	1.9
203.05891	4.5
211.06313	2.8
217.03899	3.3
218.65327	1.8
223.10153	5.0
229.05164	5.3
241.11060	58.8
255.09090	2.3
259.12091	100.0
264.12830	7.2
267.06622	5.3
267.09152	13.1
271.13989	2.9
282.13797	6.1
285.07678	13.2
285.10135	70.4
285.15179	21.6
290.18344	6.0
303.11176	59.3
308.11621	25.8
308.15286	22.2
308.19104	3.7
308.22617	2.3
326.12842	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	308.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85397	1.7
55.05510	5.2
55.93513	2.1
56.96288	3.5
56.96566	66.3
57.07064	7.7
64.69259	1.5
67.05501	5.7
69.03422	2.2
69.07063	25.4
70.04077	82.7
70.05367	1.8
70.07835	2.0
70.95858	2.6
71.60154	3.1
71.95256	7.6
72.93787	7.5
76.02225	9.7
79.05499	5.6
81.07060	8.6
84.04495	4.1
84.96001	3.0
90.94817	4.6
91.05473	6.6
93.07029	5.4
95.04965	3.6
95.08615	5.8
96.60430	1.7
97.06444	2.0
103.05445	1.7
105.07028	3.2
107.04974	3.9
107.08576	3.4
109.06506	3.2
115.07563	4.0
116.01663	3.2
116.98614	1.7
119.08569	3.8
121.06507	2.0
121.10149	2.8
125.01532	5.8
126.99474	2.0
129.00989	4.1
130.04994	2.7
131.08563	1.9
133.10133	2.1
134.99666	2.2
141.01012	2.9
141.02242	1.7
151.03139	2.8
155.02615	2.3
155.03810	3.9
157.01732	2.4
159.03281	4.2
162.02220	4.8
169.03485	3.2
172.98984	2.0
177.04503	1.9
178.97884	1.9
179.04881	7.3
183.07178	1.8
185.04893	3.6
189.04369	4.2
197.07259	13.2
199.02681	1.9
203.05891	4.5
211.06313	2.8
217.03899	3.3
218.65327	1.8
223.10153	5.0
229.05164	5.3
241.11060	58.8
255.09090	2.3
259.12091	100.0
264.12830	7.2
267.06622	5.3
267.09152	13.1
271.13989	2.9
282.13797	6.1
285.07678	13.2
285.10135	70.4
285.15179	21.6
290.18344	6.0
303.11176	59.3
308.11621	25.8
308.15286	22.2
308.19104	3.7
308.22617	2.3
326.12842	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	308.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.05505	4.0
55.98377	0.3
57.07077	3.5
59.05000	1.1
63.85167	0.3
64.94675	0.3
67.05515	0.6
69.07066	3.7
70.04075	100.0
71.04408	0.9
71.08617	0.3
78.58467	0.3
79.05487	0.4
81.07056	0.5
81.81824	0.3
83.08618	3.9
85.06492	0.3
87.00059	0.4
91.05466	0.5
95.04969	0.9
97.89656	0.3
99.08080	0.4
105.03410	0.3
111.08109	1.8
113.01574	2.2
115.05485	0.3
116.06237	1.1
125.01537	6.1
125.45577	0.4
129.01035	1.1
139.00537	0.7
139.03099	0.8
141.01007	8.2
143.02592	0.9
151.03076	2.6
155.02570	2.6
165.04655	1.0
169.00444	0.4
169.04105	0.5
179.06116	0.4
202.01143	0.3
210.06850	0.3
211.08807	2.8
239.08318	1.4
246.63286	0.3
273.91971	0.4
291.19537	1.0
308.11740	2.2
308.15195	30.2
309.15463	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.05511	4.3
55.93530	1.4
57.07072	30.1
58.99570	1.6
67.05505	4.4
69.07064	100.0
70.04079	20.0
70.07436	1.8
70.07849	7.5
70.95865	3.4
71.40418	1.9
72.93797	5.9
76.02231	2.8
79.05491	2.7
81.03378	1.4
81.07063	3.4
84.04523	1.7
84.05630	4.0
90.94807	4.8
91.05491	1.9
93.07034	2.3
95.04983	1.9
95.08604	2.8
96.08922	1.3
97.06382	7.7
98.99990	5.2
101.11243	1.0
103.03156	1.2
105.07056	1.3
108.95875	1.6
113.01574	2.9
115.07559	15.1
116.96407	1.3
119.08575	1.3
124.05042	4.7
125.01508	1.3
126.98480	2.5
126.99493	9.7
128.96304	1.7
129.01025	15.5
133.10069	1.2
138.98480	1.3
141.01007	20.5
144.99504	1.4
148.99025	1.3
153.57701	1.0
154.97977	1.4
155.02588	8.2
179.04881	1.4
181.12091	6.8
184.99020	1.5
185.02434	1.1
197.07271	62.9
198.07626	1.7
199.02122	1.5
201.03691	1.6
225.06845	3.2
229.05199	4.8
241.05345	1.8
243.20520	0.9
247.06689	1.0
255.06677	1.0
267.06769	21.9
267.09329	1.7
285.07776	28.1
303.21338	1.2
308.11691	60.5
308.15210	6.2
308.19043	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	308.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32587	0.4
52.87040	0.4
53.03960	0.5
55.01104	0.4
55.05513	2.3
55.93534	0.5
56.94320	0.6
56.96555	0.6
57.07074	30.8
64.10332	0.5
67.05496	1.7
69.03435	0.5
69.07065	100.0
70.04076	10.1
70.07465	0.7
70.07847	6.4
70.95868	1.0
71.59396	0.6
71.62614	0.4
72.93789	1.7
72.98492	0.4
76.02218	0.5
84.05635	1.7
85.06557	0.8
86.99997	0.5
88.96926	0.4
90.75609	0.4
90.94838	1.4
91.05466	1.2
93.23505	0.5
94.04182	1.0
95.04972	0.8
96.05590	0.6
97.06399	4.5
99.00009	4.2
102.36156	0.4
103.03140	0.7
111.00002	0.5
111.04445	0.9
113.01559	2.5
115.07565	17.6
124.05070	1.8
125.01553	1.8
126.99455	10.4
129.01030	14.2
139.00635	0.8
141.01018	20.1
154.02138	0.5
155.02563	7.9
156.99516	0.6
161.09668	0.7
181.12120	3.0
197.07280	62.2
198.07664	0.9
201.03589	0.6
211.04297	0.5
225.06706	2.6
225.18253	0.5
229.05225	1.7
241.05420	0.5
267.06726	7.7
285.07755	8.1
285.10098	0.7
285.13840	1.0
303.14954	1.1
308.11652	53.9
308.15060	3.2
309.11795	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32587	0.4
52.87040	0.4
53.03960	0.5
55.01104	0.4
55.05513	2.3
55.93534	0.5
56.94320	0.6
56.96555	0.6
57.07074	30.8
64.10332	0.5
67.05496	1.7
69.03435	0.5
69.07065	100.0
70.04076	10.1
70.07465	0.7
70.07847	6.4
70.95868	1.0
71.59396	0.6
71.62614	0.4
72.93789	1.7
72.98492	0.4
76.02218	0.5
84.05635	1.7
85.06557	0.8
86.99997	0.5
88.96926	0.4
90.75609	0.4
90.94838	1.4
91.05466	1.2
93.23505	0.5
94.04182	1.0
95.04972	0.8
96.05590	0.6
97.06399	4.5
99.00009	4.2
102.36156	0.4
103.03140	0.7
111.00002	0.5
111.04445	0.9
113.01559	2.5
115.07565	17.6
124.05070	1.8
125.01553	1.8
126.99455	10.4
129.01030	14.2
139.00635	0.8
141.01018	20.1
154.02138	0.5
155.02563	7.9
156.99516	0.6
161.09668	0.7
181.12120	3.0
197.07280	62.2
198.07664	0.9
201.03589	0.6
211.04297	0.5
225.06706	2.6
225.18253	0.5
229.05225	1.7
241.05420	0.5
267.06726	7.7
285.07755	8.1
285.10098	0.7
285.13840	1.0
303.14954	1.1
308.11652	53.9
308.15060	3.2
309.11795	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.091
Annotation	Glutathione
Peak:m/z	Relative Intensity
50.26977	0.3
56.05033	2.4
57.98807	0.8
58.99585	21.3
61.01134	0.3
62.47997	0.2
67.05488	0.3
69.07074	0.3
70.04078	2.0
70.06592	2.3
70.64958	0.6
72.08154	0.9
73.01138	0.7
74.06058	0.3
76.02225	100.0
76.03983	3.1
77.02570	0.6
80.05013	1.5
83.06098	0.9
84.04502	45.5
84.08144	2.6
85.04822	0.5
86.09698	2.8
86.99052	4.8
88.02227	2.4
91.05482	0.3
95.04923	0.3
100.02211	0.5
102.05544	1.0
104.10773	0.4
107.04963	0.5
110.07178	0.7
114.03775	1.6
115.08755	0.3
116.01675	21.8
120.08092	0.3
124.02185	0.6
129.06563	0.4
129.10242	1.0
130.04997	11.1
130.08675	0.3
141.04817	0.9
142.02110	0.5
142.03226	9.9
144.01146	11.1
146.02715	0.6
151.59669	0.3
162.02197	37.9
163.02090	0.4
170.02724	2.9
179.04851	34.6
187.05367	1.8
199.05373	0.6
205.06436	0.5
215.04880	2.3
216.03209	0.8
233.05910	13.0
245.05894	2.8
290.07867	0.6
291.06390	2.3
308.09134	3.7
308.15128	0.6
308.18494	0.5
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	Glutathione
Peak:m/z	Relative Intensity
53.18121	0.3
55.01898	0.3
55.05511	0.4
56.05038	2.6
57.03448	0.3
57.98801	1.0
58.99586	22.2
60.04527	0.6
60.05642	0.5
67.05496	0.3
69.07071	0.4
70.04082	4.3
70.06594	7.6
70.83277	0.7
71.06937	0.3
72.08153	2.7
73.01147	0.7
74.06080	0.4
76.02228	100.0
76.03990	4.1
77.02172	0.3
77.02573	0.5
78.76178	0.3
80.05010	1.3
82.06556	0.3
83.06098	1.0
84.04504	44.3
84.08144	5.3
85.02910	0.6
85.04858	0.3
85.30669	0.3
86.09702	3.0
86.99049	4.6
88.02234	1.9
88.04002	0.5
96.04465	0.4
98.00671	0.4
100.53644	0.3
102.05545	1.3
103.05424	0.4
104.10744	0.5
107.04927	0.6
110.07139	1.6
111.75844	0.3
112.08721	0.4
112.11255	0.3
114.03790	1.3
116.01676	21.0
116.07118	0.3
120.08116	0.9
124.02198	0.6
127.08632	0.3
129.06636	0.6
129.10245	2.0
130.05002	12.2
130.06512	0.6
136.07578	0.4
141.04819	1.2
142.03217	10.1
143.03514	0.3
144.01151	10.6
146.02708	0.4
147.04382	0.8
162.02202	38.5
163.02553	0.5
170.02708	3.4
179.04857	39.9
180.05099	0.3
184.07315	0.4
187.05302	1.8
199.05284	0.4
205.06415	0.7
214.98125	0.3
215.04855	2.1
216.03220	0.7
227.04861	0.4
233.05919	14.2
234.06134	0.3
245.05902	2.6
290.07983	0.5
291.06311	2.1
308.09052	3.6
308.15292	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53704	0.6
55.01859	0.6
55.05505	1.2
56.05030	2.3
56.96562	1.9
57.98806	1.0
58.99585	23.5
67.05498	0.9
68.05013	0.8
69.07066	0.8
69.26829	3.0
69.27257	2.3
70.04082	5.4
70.06239	0.7
70.06588	4.8
71.06914	0.4
72.08154	2.2
73.01115	0.6
74.06085	0.7
75.64192	0.5
76.02227	100.0
76.03981	4.1
79.05486	1.1
80.05021	2.2
80.05807	0.5
80.50034	0.4
81.07040	0.8
83.06107	0.6
83.08604	0.6
84.04502	46.1
84.08141	5.8
84.96033	0.5
85.02895	0.9
86.09705	5.1
86.99046	5.6
87.04442	0.6
88.02219	2.1
91.05473	1.9
93.07060	0.8
95.08600	0.6
98.20681	0.7
98.97567	0.8
99.82990	0.5
102.05539	1.3
105.07075	0.7
107.04980	1.5
109.06538	0.7
110.07146	0.7
110.97617	0.5
112.11234	0.5
114.03764	1.2
116.01672	22.7
116.51142	0.5
116.98601	1.7
117.07060	0.9
120.08147	0.7
128.98590	0.9
129.06674	0.5
129.10255	2.3
130.05003	11.7
130.06496	0.8
134.99678	1.4
137.05908	0.5
141.04802	0.7
142.03229	9.9
144.01138	12.4
146.02678	0.6
146.99620	1.0
159.09210	0.6
162.02202	39.7
170.02698	3.6
170.06047	0.8
179.04855	41.3
184.07440	0.8
187.05373	2.6
196.09650	0.6
215.04877	2.6
233.05911	13.0
235.02054	0.5
237.02791	1.3
245.05804	3.2
249.09200	1.1
290.08429	0.7
291.06546	2.2
301.72186	0.5
308.08990	4.2
308.15216	1.2
308.19028	2.0
309.06992	0.5
327.07471	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.263
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03955	1.5
55.01863	2.2
55.05518	13.8
56.78863	1.5
57.07058	1.4
65.03935	2.7
67.05503	97.4
69.07070	13.2
70.04076	7.8
70.32699	4.6
71.04971	1.6
79.05493	15.0
81.07056	100.0
81.52648	1.3
83.08613	8.8
85.06527	1.7
91.05485	7.2
93.07042	14.1
93.09028	1.2
95.04961	4.7
95.08606	89.3
96.08967	1.3
97.06522	4.1
97.10169	5.8
105.07022	6.2
107.04982	3.3
107.08580	6.0
109.06481	2.4
109.10152	38.9
112.07620	1.4
112.22598	1.4
119.08566	5.2
121.06479	3.2
121.10136	8.2
123.08081	2.4
123.11719	17.6
124.88220	1.3
131.08562	3.6
133.10147	3.6
135.11710	4.1
137.09604	2.0
137.13266	8.6
141.63530	1.3
145.10106	3.9
147.11723	3.1
149.09605	2.3
149.13300	2.6
151.11118	1.7
151.14851	2.7
159.11708	1.6
163.11154	2.1
167.63458	1.4
170.54294	1.6
173.13315	2.1
237.18433	1.9
251.20055	2.0
275.20035	2.9
289.25317	2.4
307.22644	10.4
307.26376	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	307.2267
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03956	4.9
55.01873	9.5
55.05513	31.7
57.03436	29.4
57.07090	5.5
59.28351	4.1
64.90882	4.3
66.84586	4.7
67.05504	68.1
69.07070	32.9
69.44987	41.6
70.04070	11.0
71.04986	22.7
79.05490	74.4
81.07066	69.9
82.27572	4.7
83.04961	9.6
83.08631	22.0
85.06537	12.5
91.05479	93.3
93.07042	84.5
95.04969	19.5
95.08607	64.1
96.91548	5.1
97.06536	14.5
97.10167	15.9
98.21500	8.3
99.08090	19.8
105.07035	88.5
107.04907	10.1
107.08599	73.4
109.06534	41.7
109.10159	33.2
111.08046	6.9
117.07027	25.0
119.08571	62.8
121.06509	10.1
121.10152	29.7
123.08075	9.1
123.11678	4.8
125.09614	9.9
129.06952	7.5
131.08586	37.2
133.10139	57.4
135.08034	12.4
135.11674	13.9
137.05988	35.2
137.09599	20.2
138.06310	20.2
143.08540	7.4
145.10150	26.9
147.11638	23.0
149.09599	21.2
151.11183	11.3
154.61272	4.6
157.10155	12.7
159.11690	33.9
161.13278	17.4
163.11148	6.3
165.12764	4.4
171.11662	9.4
173.11729	17.0
173.13280	16.0
175.11237	6.5
175.14749	6.3
183.11609	4.8
183.37962	4.5
185.13252	16.1
197.13217	5.3
201.16338	7.1
203.12671	8.3
203.14359	14.9
219.17444	79.1
233.15384	8.1
235.16960	17.2
239.17975	9.6
257.18985	19.2
275.20074	100.0
289.21613	14.4
292.23190	4.3
307.22699	71.6
308.08746	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	307.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01129	3.8
53.03942	7.9
54.87528	4.3
55.01866	9.4
55.05505	17.9
56.91795	4.4
57.03438	34.8
57.07065	10.9
67.05507	45.4
69.07059	41.9
69.62971	34.3
70.04069	6.5
74.65410	4.3
75.87637	5.4
79.05491	44.0
81.03415	12.1
81.07055	58.7
83.08626	10.6
85.06558	6.2
91.05478	46.9
93.07040	51.5
93.42059	4.1
94.06513	5.5
95.04960	10.8
95.08079	5.4
95.08604	33.2
96.08916	5.4
97.06519	9.1
98.06053	11.0
99.77598	5.2
99.99623	5.5
105.07034	45.7
107.04942	14.5
107.08591	33.4
108.05283	8.4
109.06503	20.7
109.10149	12.2
117.07021	19.5
119.08598	38.5
121.10138	16.3
123.08069	6.3
131.08565	24.7
133.10132	19.6
135.11693	8.8
137.25829	4.4
143.08559	5.8
145.10100	18.5
147.08023	5.6
147.11667	19.8
149.09607	8.0
155.08511	5.2
157.10132	7.1
159.11697	32.9
161.05070	5.3
161.13269	12.8
163.11221	7.1
173.13295	12.8
177.12663	7.1
179.14320	4.7
184.67162	5.4
185.13246	18.7
194.11746	11.3
195.12117	20.1
197.13161	5.2
201.16386	4.7
203.14326	16.2
219.17435	66.1
235.16847	12.1
239.17935	9.1
250.18060	10.1
251.18356	38.3
257.19025	10.1
259.13824	5.2
266.44733	4.6
275.20047	68.2
276.20331	7.3
289.21597	12.3
307.22687	36.9
307.28207	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2266
Annotation	[8]-Paradol
Peak:m/z	Relative Intensity
53.03933	5.9
55.01861	4.4
55.05512	27.4
56.96563	3.2
57.03418	6.7
59.04987	3.2
65.03925	5.1
67.05505	76.7
69.07072	21.4
70.04061	7.1
70.11090	13.6
71.04993	40.7
71.08628	5.3
76.02187	5.2
79.05492	51.6
81.07056	44.5
83.04977	7.6
83.08604	13.3
85.06548	6.4
90.88731	3.3
91.05476	75.1
93.07045	46.8
95.04967	13.4
95.08601	51.1
97.06522	7.6
97.10143	8.0
99.08097	37.0
105.04549	3.4
105.07027	84.5
107.04918	8.7
107.08604	31.5
109.06517	27.4
109.10159	45.2
117.07016	17.7
119.08569	43.4
121.02832	3.5
121.06487	13.2
121.10146	14.6
122.03598	4.1
122.46124	3.4
123.08060	8.4
125.09602	5.9
129.07008	4.4
130.07773	3.4
131.08565	14.6
133.10130	41.5
135.08009	6.4
135.11681	12.2
137.05968	81.5
137.09593	21.2
138.05258	3.6
138.06313	67.3
143.08569	3.7
145.10127	15.8
147.11655	13.9
149.09573	7.3
151.07533	11.3
151.11163	3.8
157.10101	3.8
159.11700	7.6
161.13242	8.4
163.11166	5.9
165.12717	4.4
169.10078	4.3
170.15388	3.3
171.11760	6.4
173.09570	3.9
173.11703	14.9
173.13168	7.3
191.10663	3.5
219.17424	6.4
233.15318	3.6
237.14853	4.8
242.49138	3.2
275.20096	38.1
307.19412	4.7
307.22650	100.0
308.22986	6.5
329.52505	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.6
53.89289	2.1
55.01873	23.4
55.05510	42.9
56.80009	2.1
57.03431	15.1
57.07046	3.5
65.03913	3.1
67.00258	2.4
67.05500	68.9
68.16753	2.2
69.03413	3.6
69.07056	26.1
69.33963	4.9
69.34370	19.7
70.04077	29.9
71.04964	7.6
73.15887	2.9
78.73338	2.1
79.05488	89.1
81.03428	11.7
81.07056	78.7
83.04978	8.2
83.08618	26.7
85.06548	4.2
90.67746	2.2
91.05471	77.5
93.07040	60.4
95.04969	26.7
95.08604	37.6
95.57082	2.8
97.06521	29.1
97.10162	14.7
103.05449	5.1
105.07024	64.4
107.04939	29.2
107.08590	53.6
109.06513	23.1
109.10152	17.3
111.04354	2.8
111.08076	10.1
115.05424	3.2
117.07001	24.9
119.08566	43.7
121.06487	21.7
121.10146	27.1
123.08076	12.5
123.11690	5.0
125.01519	4.8
125.09629	15.3
128.06178	4.5
129.06998	6.3
131.08566	32.1
133.06451	4.6
133.10110	33.5
135.08057	15.2
135.11691	15.7
137.09561	7.7
139.11171	2.9
141.07013	5.6
143.08510	5.0
145.06451	3.5
145.10091	27.7
147.08037	3.4
147.11644	17.3
149.09612	22.9
149.13260	4.3
151.11194	9.5
152.00119	2.3
153.09079	4.4
155.08569	5.1
157.10106	6.5
159.07982	4.6
159.11688	16.9
161.09636	3.8
161.13240	8.3
163.11172	19.2
163.14877	4.0
165.09090	6.0
165.12735	7.5
169.10126	7.1
171.11626	4.7
173.09711	4.6
173.11874	2.8
173.13251	13.2
177.12770	6.0
179.14343	3.3
181.12334	2.4
183.11673	3.4
187.11214	4.9
187.14806	7.9
189.12717	2.8
191.14409	3.7
197.13277	7.4
203.12796	9.9
205.15863	3.7
215.14313	3.8
215.17839	2.7
219.13828	3.3
219.17415	4.8
225.98822	2.3
229.19443	6.1
233.15302	12.3
233.18913	2.8
239.17900	9.4
247.20544	8.1
257.19003	21.1
271.16833	3.3
275.20041	100.0
276.20120	3.1
289.17978	9.8
289.21561	4.9
307.18954	21.1
307.22617	30.2
308.15198	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	307.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
55.01867	5.7
55.05514	18.1
55.48631	3.4
57.03434	5.4
59.56120	3.1
67.05155	5.2
67.05497	35.6
69.07062	14.0
70.04070	13.6
71.59489	3.5
79.05495	39.3
81.03416	8.3
81.05735	2.5
81.07056	100.0
83.04961	4.0
83.08611	8.9
91.05476	25.6
93.07050	35.7
95.04950	15.1
95.08595	21.6
97.06520	9.4
97.10117	5.0
105.07030	23.3
107.04951	8.7
107.08584	20.6
109.06522	52.6
109.10139	8.5
117.07004	8.0
119.08581	17.7
121.06487	7.9
121.10143	11.1
123.08080	11.3
123.11753	4.8
129.06996	4.1
131.08572	15.1
133.10139	18.7
135.11708	5.4
137.09567	4.1
145.10132	6.9
147.11676	18.2
149.09601	4.4
149.13338	6.5
151.11194	3.1
159.11662	5.8
161.09674	3.6
161.13324	3.8
163.11150	8.0
163.14766	2.9
175.11148	3.5
200.97777	2.9
219.17474	3.2
229.19456	5.3
247.20604	6.5
249.09181	3.5
257.19043	4.3
275.20074	54.2
307.22870	21.7
308.29489	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	307.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.6
55.01866	4.8
55.05511	25.6
56.96552	3.6
57.03438	42.2
57.07076	4.0
59.05001	4.7
67.05502	42.0
67.97845	3.4
69.03391	4.1
69.07058	14.6
70.03702	5.6
70.04079	100.0
70.13797	13.7
71.05019	3.2
75.37919	2.9
79.05492	50.6
80.05853	5.1
81.03407	6.6
81.07051	55.8
83.04971	6.0
83.08626	7.7
85.06525	11.3
91.05477	47.1
93.07039	53.0
95.04975	6.7
95.08604	46.8
96.08939	5.3
97.06523	7.1
97.10179	4.4
105.07021	40.3
107.04955	6.8
107.08592	34.4
109.06512	27.1
109.10178	15.9
111.08087	4.0
114.63093	3.2
117.07041	16.5
119.08582	39.8
121.02880	4.4
121.06498	4.5
121.10134	19.9
123.08040	7.7
123.11734	3.8
125.01543	8.0
129.06993	6.9
131.08578	22.5
133.10138	26.3
135.07996	3.9
135.11697	13.1
135.22824	3.8
137.05956	9.7
137.09554	4.1
138.06404	4.0
143.08582	5.6
145.10138	24.0
147.11725	15.7
149.09601	12.0
151.11121	4.1
157.10153	7.6
159.11687	25.3
161.13263	12.4
163.11147	6.5
165.12790	3.6
171.11699	3.3
173.13208	11.7
175.11096	4.2
175.14883	7.1
177.12721	3.4
183.24931	4.0
185.13278	26.6
187.14844	3.4
191.45753	3.5
201.16345	9.1
203.14340	20.3
219.15457	6.3
219.17441	89.8
220.25603	3.0
233.15527	3.5
235.16899	10.3
239.17918	7.1
257.18951	15.5
270.88284	3.5
275.20035	49.7
275.22791	5.1
289.21500	8.6
307.15735	3.6
307.19479	6.4
307.22653	21.3
307.27234	52.4
308.15179	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.8
55.01857	15.2
55.05264	6.5
55.05511	71.7
57.03444	5.7
67.05496	46.2
69.07058	15.4
69.69803	32.8
79.05495	100.0
81.07053	44.4
83.04971	11.9
83.08609	25.5
91.05473	38.5
93.07046	48.4
95.04955	10.9
95.08591	12.1
95.46024	5.0
97.06517	12.9
97.10179	63.5
105.07033	32.7
107.04952	30.2
107.08598	79.2
109.06501	6.4
109.10164	17.8
117.06985	9.8
119.08572	26.3
121.10133	15.6
123.11732	9.8
125.09624	76.6
126.79514	4.3
131.08575	13.9
133.10117	18.1
135.08060	17.8
142.52277	4.6
145.10123	7.3
147.11659	11.2
149.09621	75.7
153.09135	21.5
157.12212	7.4
159.11691	12.5
163.11218	4.5
171.10205	4.8
173.13239	5.5
192.69496	4.8
203.12779	52.4
219.17407	13.9
245.07227	4.5
247.20496	7.6
257.18988	12.2
275.20032	46.6
306.90329	4.4
307.22668	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	307.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.2
55.01860	2.3
55.05510	5.0
55.09449	0.5
56.96567	1.0
57.03431	2.0
57.07075	0.6
65.03928	1.0
66.04729	0.4
67.05183	0.4
67.05505	9.8
69.03415	0.9
69.07070	6.2
70.04076	2.5
71.04978	1.8
71.08634	0.8
71.59289	0.8
76.02229	0.6
79.05492	11.5
80.05869	0.7
81.03413	1.4
81.07062	17.6
82.07398	0.7
83.04984	1.5
83.08613	2.8
89.04241	0.5
91.05486	9.2
92.05780	1.0
93.07043	7.3
94.04192	2.6
94.07364	0.6
95.05013	2.7
95.08607	7.4
97.06535	2.3
97.10176	1.1
99.08125	1.2
101.05174	0.5
105.07033	7.8
107.04965	2.7
107.08594	6.1
109.06513	6.9
109.10171	4.1
111.04371	0.6
111.08060	1.2
114.09155	0.7
117.07015	2.2
119.08596	5.7
121.02859	1.1
121.06498	2.0
121.10137	3.5
122.03664	7.9
123.03951	4.1
123.08063	1.8
123.11720	1.0
125.09635	0.9
129.06985	0.8
131.08545	3.3
133.10129	3.5
135.08066	2.2
135.11685	2.2
136.12067	0.9
137.05980	100.0
137.09608	2.1
138.06317	73.6
139.06595	1.0
143.08562	0.8
145.10115	2.7
147.08105	0.9
147.11714	3.1
149.09621	2.2
149.13309	0.9
151.07533	0.7
151.11211	1.5
153.12766	0.9
154.13101	1.5
155.08502	0.6
157.10165	0.5
159.11699	2.1
161.09605	0.9
161.13297	1.3
163.11208	1.6
165.12730	0.7
169.10133	0.8
169.12288	0.6
170.15396	1.8
171.11690	0.8
171.15729	2.3
173.09634	0.6
173.11678	0.6
173.13229	1.4
175.11150	1.2
177.12772	1.0
179.04816	0.6
182.15392	1.4
183.11781	0.6
183.15829	2.4
185.13234	0.6
193.12248	0.7
197.13269	0.6
201.13135	0.4
219.17598	0.8
229.19537	0.6
233.15283	0.9
239.17961	1.3
247.20634	1.1
257.18933	1.1
271.16873	0.7
275.17279	0.8
275.20084	10.8
289.18079	1.6
289.21674	0.7
307.19345	1.0
307.22604	5.7
308.15384	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2266
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03936	2.8
55.01853	3.6
55.05265	1.5
55.05508	15.7
56.96587	1.0
57.03423	2.0
57.07064	1.6
59.04982	3.5
61.34040	0.8
65.03941	1.3
65.44765	0.8
67.05499	23.9
69.03416	2.1
69.07059	11.8
69.38480	9.3
70.04079	9.4
71.04991	10.8
73.06547	1.6
79.05058	1.3
79.05489	22.0
81.03397	1.5
81.07053	26.1
83.04967	2.3
83.08597	6.6
85.06532	2.4
87.04460	1.8
87.08084	1.5
88.71446	0.9
91.05473	31.7
93.06473	1.6
93.07039	27.9
95.04974	7.8
95.08600	18.2
97.06525	7.8
97.10159	2.9
98.21461	1.5
99.08092	2.0
103.05503	1.5
105.07026	39.3
107.04953	2.9
107.08595	18.8
108.05755	1.7
109.06505	16.4
109.10149	9.2
110.07323	1.3
111.08051	3.5
117.07014	11.4
119.08576	30.3
121.02843	2.3
121.06503	7.2
121.10135	12.5
123.08051	11.2
123.11688	3.7
125.01509	1.4
125.09586	3.5
129.06992	3.0
130.07797	0.9
131.08553	11.1
132.96831	0.9
133.10123	23.4
135.08057	8.9
135.11673	6.2
137.09601	10.6
139.11171	1.6
141.06990	1.9
143.08501	2.5
145.10103	11.7
147.08049	1.7
147.11679	16.8
149.09605	7.4
149.13239	2.2
151.11168	16.2
155.08580	1.6
157.10115	3.0
159.08044	1.4
159.11662	8.6
161.09586	1.5
161.13251	4.4
163.07532	1.0
163.11162	10.9
165.12740	9.1
169.10086	2.8
171.11711	2.8
173.11850	1.5
173.13269	3.7
177.12749	3.4
179.14291	3.7
183.11670	2.0
187.11200	2.4
187.14856	1.3
189.12813	1.5
191.14255	2.8
197.13243	3.3
201.12730	1.4
201.16425	1.2
205.15956	1.2
211.14912	1.1
215.14323	1.2
229.19487	7.8
233.15312	2.4
237.14778	1.0
239.17976	10.1
247.20552	5.5
249.18423	1.6
257.19006	11.8
258.62994	0.8
265.17941	1.5
275.20041	47.1
276.20477	1.4
289.18042	3.3
289.21243	1.1
307.19525	3.6
307.22650	100.0
308.15271	2.7
308.23013	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	307.2265
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03913	2.0
55.01859	4.1
55.05508	13.6
57.03421	1.4
57.07068	4.1
59.04984	1.4
61.21026	0.7
65.03935	1.4
67.05497	28.3
69.03415	2.0
69.07058	20.6
69.45685	3.4
69.46117	4.4
70.04070	37.0
71.04975	2.8
79.05486	21.4
81.03401	1.2
81.06573	1.8
81.07046	33.7
83.04972	7.8
83.08601	4.5
85.06517	1.7
91.05466	18.3
93.07034	27.3
95.04951	10.3
95.08051	1.3
95.08601	19.6
97.06525	4.7
97.10133	2.9
98.21476	1.6
99.08073	1.0
105.07019	26.7
107.04940	6.5
107.08572	16.3
109.06511	11.4
109.10138	9.8
111.08056	2.2
117.07005	5.7
119.08564	13.8
121.06487	11.5
121.10126	10.3
123.04379	0.9
123.08067	5.8
123.11669	3.6
125.01513	2.5
125.09599	1.8
129.07042	2.3
130.07788	1.0
131.08553	15.7
133.06451	2.6
133.10114	18.1
135.08031	4.8
135.11708	5.4
137.09607	2.5
143.08524	3.8
145.06471	1.6
145.10118	11.6
147.08017	2.6
147.11671	10.6
149.03050	0.8
149.09581	5.6
149.13272	3.5
151.11176	9.0
155.08611	1.1
157.10130	3.6
157.84801	0.7
159.08018	1.9
159.11673	8.3
161.09630	2.6
161.13225	3.2
163.11174	6.6
165.12685	1.8
169.10168	0.8
171.11656	2.6
173.09641	2.2
173.13254	5.6
175.11183	3.1
176.87688	0.8
177.12709	2.9
183.11650	3.9
185.13268	1.1
187.11177	2.9
187.14705	1.2
189.12653	1.5
191.14310	2.8
197.13161	1.9
201.12668	3.4
205.15848	1.4
207.13768	3.0
215.17949	2.7
217.15865	1.4
219.13818	4.0
229.19516	2.4
233.15361	1.3
239.17889	4.1
247.20543	4.6
257.18988	14.6
275.20032	100.0
276.20374	3.6
289.18765	1.1
289.21527	4.7
307.22650	45.4
308.15167	11.9
308.23004	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	307.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69474	1.5
53.03939	1.7
55.01877	10.4
55.05268	1.9
55.05511	29.7
56.05823	2.0
57.03440	17.5
57.07070	4.2
65.03938	2.5
67.05177	2.7
67.05505	38.1
68.05817	3.0
69.03415	3.0
69.07067	23.2
70.04066	6.2
70.07391	2.8
71.05013	2.8
77.54992	1.4
78.83499	1.4
79.05061	2.6
79.05492	28.8
80.10413	1.6
81.03432	2.3
81.07059	44.8
82.07392	2.2
83.04967	5.6
83.08624	14.4
85.06535	2.9
91.05476	24.3
93.07043	30.7
95.04974	15.2
95.08604	27.7
96.08971	1.5
97.06541	10.0
97.10178	8.7
97.64836	1.6
98.06062	13.1
99.06390	4.3
99.08138	2.2
105.07030	23.6
107.04948	6.8
107.08582	28.7
109.06516	50.8
109.10143	11.4
111.04386	1.8
111.08053	2.2
112.07617	2.2
113.00005	4.7
117.07005	9.5
119.08572	15.4
121.06487	5.4
121.10173	13.1
123.08067	9.0
123.11735	2.6
125.09624	7.4
129.06999	2.3
131.08591	15.3
133.06529	2.2
133.10114	14.7
135.08058	8.4
135.11684	5.9
137.09602	6.9
143.08595	3.6
145.10095	11.8
147.08087	2.9
147.11682	9.5
149.09625	11.1
149.13272	3.2
151.11226	2.6
153.09087	2.1
157.10165	1.8
159.08044	3.0
159.11708	7.8
161.09586	4.2
161.13264	4.4
163.11197	3.6
165.12744	14.2
169.02547	2.6
171.11684	3.1
173.13254	5.6
175.11205	1.9
177.12791	2.3
177.16377	2.1
183.11667	2.7
187.11230	2.2
187.14771	2.9
189.12715	2.1
191.14304	2.6
197.13263	1.9
203.12787	4.4
205.15851	3.9
215.14226	2.1
219.17450	4.8
229.19608	2.2
233.15382	7.3
239.17967	3.1
243.17465	2.9
247.20596	4.7
249.08995	1.7
251.16397	14.3
257.19031	5.4
259.34735	1.7
261.18530	3.4
271.17047	7.5
275.20074	34.0
289.17963	16.3
289.21597	10.8
290.18512	2.1
307.19101	5.9
307.22665	50.9
307.28241	100.0
308.15292	2.6
308.22852	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	307.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02346	1.7
51.50188	1.8
51.71279	2.0
53.03934	5.3
55.01859	13.4
55.05508	32.9
57.03420	7.9
57.07050	6.3
67.05499	70.5
69.03426	4.9
69.07060	33.3
70.04072	92.1
70.11082	6.9
71.04974	5.1
79.05055	3.6
79.05485	55.3
81.03391	6.7
81.07051	98.8
83.04967	9.9
83.08616	16.9
85.06556	9.0
91.04900	2.3
91.05471	55.0
93.07034	59.7
94.07375	2.0
95.04958	29.7
95.08600	53.2
97.06523	18.0
97.10151	6.4
103.05462	2.4
105.07021	67.6
107.04943	10.6
107.08576	36.8
108.35266	1.9
109.06519	22.9
109.10142	32.7
111.08052	7.7
113.09682	2.2
115.05448	2.0
116.06252	2.4
117.06999	17.8
118.96902	1.9
119.08572	58.9
121.06505	10.0
121.10130	28.7
123.08044	21.3
123.11678	11.1
125.01524	5.6
125.09605	8.8
129.06937	5.1
131.08549	29.1
133.06596	2.0
133.10124	46.9
135.08037	13.4
135.11641	13.7
137.09599	17.1
139.07520	2.1
139.11095	2.5
143.08504	4.7
145.10103	20.8
145.97552	1.8
147.08051	4.6
147.11670	27.2
149.09604	21.4
149.13252	4.7
151.03085	2.1
151.11162	18.5
155.08548	3.9
157.10089	7.5
159.11678	16.4
161.09554	3.7
161.13249	8.8
162.71913	2.0
163.11145	12.6
163.14766	2.8
165.12787	8.7
171.11694	5.9
173.13257	11.8
175.11226	1.8
175.14709	2.7
177.12732	5.8
178.90028	2.0
183.11613	3.3
183.13750	2.3
185.13254	4.3
187.11206	2.0
187.14717	2.2
189.12694	2.0
191.14265	3.6
191.58211	2.0
193.12216	3.3
197.13214	5.5
201.12775	4.3
203.12619	2.0
215.17921	2.4
219.09171	1.9
219.13791	2.1
227.44998	2.2
229.19484	5.5
239.17966	7.9
247.20561	15.9
257.18951	18.1
275.20026	100.0
276.20282	3.5
289.21591	10.7
307.22702	37.3
308.01163	5.6
308.15186	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2267
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03938	10.8
53.91169	3.2
55.01872	18.0
55.05508	44.4
57.03439	19.6
57.07061	4.7
65.03929	6.4
67.05507	67.9
69.03431	6.0
69.07066	29.8
70.04073	10.8
70.09917	7.3
70.10334	13.4
70.27328	3.6
71.05000	4.4
72.67233	3.4
79.05491	55.8
81.03410	9.5
81.07059	100.0
83.04974	12.2
83.08616	21.3
85.06528	6.7
91.05486	55.3
93.07056	58.8
95.04980	37.6
95.08611	58.6
95.69266	3.7
97.06517	22.9
97.10166	7.4
105.07027	50.4
107.04964	18.9
107.08604	46.3
109.06549	27.0
109.10169	27.3
111.08064	5.3
113.00014	25.6
117.07021	15.9
119.08588	42.4
121.06496	9.6
121.10135	29.1
123.08094	18.3
123.11700	12.4
125.09615	12.6
129.06989	8.8
131.08586	27.2
133.10146	37.8
135.08051	13.6
135.11716	13.2
137.09598	19.2
139.11162	7.6
145.10110	25.0
147.08080	4.2
147.11690	24.1
149.09619	26.5
149.13162	3.9
151.11224	6.9
157.10167	6.3
159.11722	22.2
161.09605	4.8
161.13228	8.7
163.11159	11.4
165.12782	6.6
169.02589	18.3
169.10173	5.3
171.11742	5.6
173.13315	15.1
175.11188	5.4
175.14786	4.3
177.00452	4.1
177.12662	6.2
185.13367	7.9
189.12848	5.1
197.13280	4.8
199.01471	3.3
201.16393	5.4
203.12648	3.6
203.14369	5.0
211.14870	6.0
219.17496	33.3
229.19499	5.6
233.15295	4.5
235.16634	3.5
239.17917	11.9
247.20587	8.8
257.18979	18.1
275.20071	90.3
289.21582	9.7
307.22708	41.3
307.28143	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	307.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.3
55.05510	27.4
56.29558	2.5
56.96148	2.3
57.03435	2.7
57.07070	8.1
59.05005	2.6
65.03928	4.0
67.05502	95.5
69.03414	3.0
69.07062	16.5
70.04073	89.0
71.04978	3.9
79.05490	47.9
81.03392	3.3
81.07052	63.4
83.04952	6.1
83.08627	11.4
85.06548	5.9
91.05477	60.1
93.07036	37.4
95.04975	11.2
95.08602	43.5
97.06543	6.1
97.10147	3.7
103.05448	3.9
105.07028	65.6
107.04947	4.5
107.08587	24.6
109.06499	7.9
109.10147	32.6
111.08107	3.6
116.06238	2.6
117.07031	16.6
119.08577	47.6
121.06529	5.5
121.10110	14.2
123.08075	6.8
123.11686	7.3
125.01573	7.2
125.09612	3.9
129.07060	5.2
130.07779	2.1
131.08548	24.9
133.10135	44.5
135.08087	7.5
135.11653	7.1
137.09645	13.3
137.13246	3.8
145.10123	18.1
147.11678	31.1
149.09628	14.5
149.13297	3.6
151.03069	2.5
151.11143	4.6
155.08437	2.5
157.10179	3.2
159.11649	18.9
161.13248	11.9
163.11185	5.3
165.12778	3.3
169.10179	2.5
171.11699	6.0
173.13245	15.9
177.12753	2.9
183.11732	4.0
187.14897	2.9
191.14365	2.3
197.13290	5.5
229.19543	4.4
229.62872	2.8
233.15427	2.9
239.17845	7.5
244.72566	2.4
247.20581	8.4
257.19006	11.5
263.29858	2.6
274.35013	2.7
275.20047	100.0
276.20541	3.3
289.21625	3.8
293.85931	2.3
307.10339	3.4
307.22455	5.9
308.09729	5.0
308.15201	30.2
316.39590	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.6
55.01879	21.9
55.05513	46.2
57.03437	45.2
57.07073	3.9
59.04984	3.6
65.03942	3.9
67.05169	6.0
67.05505	72.2
69.03426	11.3
69.07077	30.9
70.04063	18.2
71.05008	6.6
71.10817	3.5
71.60029	5.7
79.05489	70.0
81.03429	11.0
81.07057	100.0
83.04979	19.0
83.08623	20.7
91.05474	73.3
93.07047	62.6
95.04956	22.7
95.08613	50.0
97.06515	25.3
97.10175	13.9
98.06074	4.3
98.98457	7.1
105.07026	73.9
107.04939	22.5
107.08595	65.1
109.06522	34.0
109.10159	22.6
111.04448	4.9
111.08080	6.9
117.07038	20.8
119.08582	44.4
121.06510	10.4
121.10155	26.0
121.23969	3.2
123.08067	6.4
123.11720	9.1
125.09615	17.0
129.06982	7.6
131.04967	3.2
131.08565	33.8
132.08876	3.2
133.06509	5.7
133.10124	38.6
135.08067	15.6
135.11690	13.5
137.09630	14.2
143.08545	8.2
145.06480	6.7
145.10121	29.4
147.08022	11.3
147.11687	21.0
149.09605	24.1
149.13258	5.1
151.07567	5.5
151.11176	5.2
153.09088	5.1
155.08609	5.0
157.10139	5.4
159.08092	12.7
159.11658	20.4
161.09630	6.3
161.13257	8.0
163.07599	4.1
163.11198	13.0
165.09145	9.7
165.12755	24.2
169.10202	6.6
171.11676	3.7
173.09631	5.9
173.11780	3.7
173.13292	9.8
177.09242	3.9
177.12793	6.7
183.11696	5.0
187.11220	4.1
187.14804	9.0
197.13538	3.6
203.12776	7.5
205.15883	13.7
215.14409	9.4
219.17439	6.8
233.15390	22.6
239.17923	5.6
243.17451	12.9
247.20583	11.8
249.09262	4.7
257.19028	14.1
261.18567	10.9
271.16907	23.9
275.20087	100.0
276.20639	6.3
289.18030	55.9
289.21338	7.5
304.96115	4.0
307.18997	14.2
307.22723	26.5
307.28238	41.3
308.09155	5.8
308.12500	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	307.2052
Annotation	Callyspongenol B
Peak:m/z	Relative Intensity
50.46983	2.2
55.01868	3.3
55.05238	2.2
55.05508	6.6
57.03421	5.0
57.07074	3.5
67.05498	15.9
69.03436	3.2
69.07066	10.8
70.04070	3.6
70.69829	6.8
74.41544	2.1
79.05474	18.8
81.03425	2.8
81.07050	23.9
83.04939	4.3
91.05462	24.8
93.07024	21.0
95.04942	26.3
95.08595	14.0
96.05619	3.1
97.06511	14.2
98.20699	2.2
105.07023	36.4
107.04964	2.8
107.08565	10.8
109.06529	8.2
109.10178	5.4
110.03526	8.6
115.05459	3.9
117.07047	11.5
119.08569	35.1
121.06549	3.5
121.10125	11.0
123.08085	2.5
128.06197	11.4
129.06992	13.6
130.07867	2.9
131.08525	20.4
133.10118	53.0
133.11067	3.4
135.08044	4.8
141.07001	6.6
142.07832	11.8
143.08542	32.3
144.09329	5.6
145.06516	2.8
145.10118	25.4
147.08075	10.1
147.11667	4.4
149.09628	4.4
153.06973	3.5
154.07832	4.6
155.08592	10.0
156.09386	7.3
157.10126	22.9
158.10905	6.5
159.08037	4.6
159.11665	22.2
161.09616	6.5
163.11208	4.6
165.07103	4.2
167.08495	16.1
168.09370	3.8
169.10118	19.4
171.11687	12.6
173.13228	15.3
175.11275	2.6
179.08536	10.7
180.09393	3.2
181.10059	10.8
182.10933	12.2
183.11748	10.5
184.12599	2.3
185.09586	2.9
185.13342	5.4
187.11226	4.5
192.09351	4.6
193.10109	13.2
194.10983	7.8
195.11687	13.3
196.12578	5.0
197.13255	19.3
198.14142	3.1
199.14821	6.4
205.10156	5.0
206.11029	9.7
207.11684	17.1
208.12569	9.8
209.13303	16.4
210.14209	2.4
211.14935	9.9
217.10115	3.4
218.10989	4.5
219.11742	10.1
220.12581	7.9
220.79094	2.2
221.13269	20.7
222.14081	5.3
223.14796	14.5
231.11765	3.7
232.12602	7.4
233.13202	16.2
234.14140	9.1
235.14943	8.0
236.15668	3.1
237.12785	2.8
237.16528	8.2
244.12619	3.2
245.13387	4.9
246.14148	3.3
247.14946	7.2
248.15714	8.1
249.16457	7.7
251.14410	8.4
252.05533	3.9
259.14777	12.9
260.15582	2.3
261.18594	9.0
263.17905	22.1
265.16052	3.4
271.02774	2.4
274.17142	4.8
277.19589	2.9
279.21188	8.3
289.19681	19.2
299.41055	2.3
307.20642	100.0
308.11603	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	307.1902
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03938	2.4
55.01872	5.4
55.05518	18.5
56.05848	2.3
57.03438	17.1
57.07077	1.8
65.03942	1.2
67.05505	28.2
68.05836	3.6
69.03412	4.6
69.07071	16.1
70.04073	3.0
70.07381	2.8
70.84516	1.5
71.04993	1.3
78.63181	1.1
79.05492	21.7
80.05814	1.3
80.06260	1.1
81.03408	3.1
81.07057	31.2
82.07382	3.2
83.04973	4.8
83.08607	6.3
85.05264	3.3
85.06553	2.2
91.05478	18.7
93.07043	19.7
95.04962	11.3
95.08606	21.7
96.08941	1.9
97.06547	6.6
97.10143	5.2
98.06053	14.1
99.06389	5.0
99.08055	1.8
103.05527	1.3
105.07033	18.0
107.04943	6.0
107.08598	16.0
109.06518	23.0
109.10153	8.0
111.04455	2.7
111.08057	1.7
112.07650	1.5
113.00010	4.6
113.07977	1.3
117.07014	7.3
119.08578	13.6
121.06496	3.7
121.10143	8.1
123.08106	5.1
123.11695	2.8
125.09612	4.0
128.06209	1.2
129.07002	3.2
131.08585	9.8
133.06520	1.9
133.10124	11.7
135.08035	3.2
135.11725	3.4
137.06024	1.4
137.09656	3.0
139.11192	1.6
143.08559	1.3
145.06564	1.6
145.10100	7.1
147.08049	3.0
147.11687	6.5
149.09612	6.3
149.13264	1.8
151.07532	2.9
151.11168	1.1
153.09123	2.4
157.06511	1.2
157.10075	2.4
159.08047	3.7
159.11670	5.3
161.09627	2.5
161.13222	1.9
163.07549	1.9
163.11171	2.5
164.04985	1.1
165.09143	1.9
165.12749	12.8
169.02602	3.8
169.10139	1.8
171.11639	1.4
173.09564	2.5
173.13249	3.9
175.11169	1.5
177.09129	1.1
183.11682	1.3
187.14816	3.2
197.13231	1.7
197.17363	1.2
203.12764	2.5
205.15886	5.5
215.14342	3.0
219.17288	1.8
225.16277	1.4
229.19717	1.2
233.15373	5.6
239.17996	2.3
243.17435	4.5
247.20653	2.5
251.16490	5.4
257.19058	3.3
261.18604	2.8
271.16922	9.6
275.20120	19.1
289.18005	22.3
289.21582	5.4
307.18979	4.3
307.22650	23.8
307.28241	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.19
Annotation	Mikanialactone
Peak:m/z	Relative Intensity
50.56591	2.0
51.84090	2.0
53.03936	3.8
55.01876	27.3
55.05519	13.3
57.03439	61.1
65.03930	6.5
67.05171	3.3
67.05502	46.2
68.15577	1.9
69.03420	6.8
69.07059	9.3
70.48992	1.9
71.04971	6.0
71.43884	3.4
71.44222	2.7
79.05492	63.5
81.03423	2.8
81.07060	43.0
83.04987	4.8
83.08605	3.0
85.06548	16.6
87.04462	4.0
90.42650	2.0
91.04900	3.3
91.05478	60.6
93.07038	44.9
95.04957	8.6
95.08601	35.0
97.06524	6.5
101.05978	3.7
103.05431	3.2
104.06323	2.1
105.04527	1.9
105.07027	35.2
107.04940	19.8
107.08589	29.9
109.06516	65.3
109.10146	2.4
111.07999	2.1
115.03922	3.3
115.05432	4.5
116.06242	2.4
117.07003	27.0
119.08599	20.1
121.06492	10.5
121.10143	13.1
123.08008	6.1
123.43185	2.0
128.06190	4.5
129.07001	13.9
130.07776	4.1
131.08563	32.5
133.06505	3.7
133.10120	10.0
135.08051	100.0
135.11641	4.3
136.08424	2.0
137.09543	2.1
141.06940	5.8
143.08545	17.2
145.10110	35.8
147.08116	2.4
147.11633	7.2
149.09622	23.2
155.08521	4.2
157.10153	10.1
159.10225	4.8
159.11679	13.8
161.09573	8.6
161.13225	2.9
162.10310	2.0
163.11171	7.1
169.10129	5.5
171.11662	11.4
173.13278	3.9
175.11215	2.6
177.08990	2.4
183.11693	7.6
185.13281	6.6
187.11127	2.9
187.14825	5.6
197.13235	2.3
201.12816	3.9
205.15810	4.4
215.14256	3.1
225.16400	5.5
235.13248	12.5
243.17491	11.5
249.14891	3.6
261.18533	43.8
289.18002	23.7
307.19019	89.1
308.19058	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	307.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.5
55.01845	7.2
55.05513	17.8
57.03439	24.5
65.03940	5.6
65.12153	2.3
67.05500	59.5
69.07053	14.6
69.37562	23.3
73.86876	2.1
79.05489	74.5
81.03399	7.3
81.07053	61.2
83.04987	8.3
83.08604	6.1
91.05481	100.0
93.07037	50.7
95.04978	22.4
95.08607	27.7
97.06485	4.0
97.10139	2.8
103.05468	6.5
105.04539	2.4
105.07029	60.0
107.04955	30.6
107.08583	18.1
109.06532	13.1
109.10121	10.0
109.39446	2.3
115.05435	3.9
117.07016	26.7
119.08585	41.5
121.06480	9.4
121.10130	10.9
123.08060	2.7
123.11710	2.2
129.06989	9.6
131.08566	45.8
133.06577	5.2
133.08052	2.3
133.10146	11.1
135.08017	5.4
137.09636	3.0
138.76120	2.6
141.06961	4.6
143.08554	4.8
145.10103	16.9
147.11678	5.1
149.09627	3.6
155.08522	6.3
159.08075	2.7
159.11671	6.4
169.10173	3.1
171.11694	7.2
173.13281	7.5
175.64542	2.5
187.11227	3.0
187.14790	8.5
197.13289	5.9
205.15851	5.2
215.14178	4.6
224.64186	3.0
233.15331	21.0
239.32507	2.6
289.18115	2.3
307.19104	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1899
Annotation	Corrin
Peak:m/z	Relative Intensity
53.03941	9.7
55.01857	18.7
55.05506	33.0
57.03427	27.0
57.07043	4.3
65.03938	7.0
67.05499	82.3
69.03418	4.0
69.07063	30.1
69.99514	15.9
70.04070	30.8
71.04978	8.9
79.05488	88.8
81.03402	11.7
81.07050	80.5
83.04962	8.7
83.08620	21.7
85.06572	2.7
91.05475	100.0
93.07037	63.3
95.04953	28.7
95.08601	44.1
97.06529	16.7
97.10133	7.3
98.73582	2.8
100.68511	3.0
103.05434	6.1
105.07022	77.3
107.04941	29.3
107.08584	43.7
109.06496	23.5
109.10136	17.1
111.08067	4.3
115.05418	3.4
117.06991	29.7
119.08572	41.5
121.06483	17.9
121.10117	19.9
123.08061	9.8
123.11732	4.4
125.01565	4.4
125.09615	11.7
129.06999	10.2
131.08562	45.7
133.06473	6.1
133.10130	23.5
135.08014	13.9
135.11662	6.3
136.30565	2.6
137.09584	5.6
137.46593	3.8
141.06937	5.0
143.08513	4.5
145.10124	26.5
147.07974	4.1
147.11644	9.5
149.09613	12.9
149.13257	4.5
151.11192	4.3
155.08534	8.1
157.10136	4.4
159.08046	6.1
159.11623	13.7
161.13237	5.9
163.07558	4.3
163.11134	6.9
163.14728	2.6
165.12654	4.0
169.10094	9.5
171.11671	8.1
173.09634	6.2
173.13271	7.5
175.11220	3.4
187.14816	9.5
187.57768	2.7
197.13242	8.5
203.12782	6.2
205.15865	11.4
215.14371	5.7
219.17361	3.9
229.19569	3.5
232.53793	2.9
233.15392	21.6
239.17928	5.2
247.20526	5.1
257.19031	10.4
261.18585	3.5
271.17001	4.3
275.20032	60.6
289.18063	16.8
289.21130	4.1
307.18906	57.4
307.22714	15.4
308.15024	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	307.19
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
51.82386	1.5
53.03939	6.6
55.01872	8.6
55.05508	29.3
57.03426	23.3
57.07054	4.1
62.08833	1.8
65.03921	4.2
67.05499	65.4
69.03413	3.2
69.07063	18.1
70.04060	5.0
70.27297	1.6
70.65884	1.8
70.66238	5.6
71.04980	5.3
71.08608	1.6
73.68780	1.6
79.05484	75.2
81.03406	8.6
81.07051	68.6
83.04965	14.7
83.08635	11.3
85.02888	2.4
85.06519	4.4
91.05470	100.0
93.06462	3.4
93.07037	58.2
95.04962	23.7
95.08600	34.2
97.06524	9.2
97.10149	4.1
99.08025	1.8
102.93649	1.8
103.05459	6.3
105.04533	2.3
105.07018	64.0
107.04943	31.5
107.08587	28.8
109.06512	17.6
109.10136	18.5
111.04449	3.0
111.08073	4.8
112.92274	1.8
115.05470	2.6
116.06253	1.9
117.07006	33.3
119.08571	41.6
121.06510	12.9
121.10138	14.2
123.08083	6.4
123.11678	4.0
125.09625	2.5
128.06163	3.0
129.06990	11.1
130.07785	2.1
131.08556	49.0
133.06494	6.2
133.10110	17.9
135.08052	8.2
135.11681	6.9
137.06009	2.4
137.09540	4.4
139.07434	2.1
141.06949	6.8
142.07739	1.8
143.08568	8.0
145.06462	4.4
145.10118	22.1
147.08028	4.5
147.11656	8.0
149.09624	8.3
151.07532	3.1
151.11093	2.2
155.08527	10.5
156.09378	2.5
157.10190	4.3
159.08037	5.9
159.11699	8.9
161.09647	4.5
161.13205	3.4
163.11237	2.9
165.09135	1.9
169.10144	6.4
171.11641	10.0
173.09587	3.0
173.13199	11.0
175.11104	2.1
177.12636	1.9
183.11679	2.1
185.13246	2.7
187.11116	3.2
187.14787	10.7
191.10651	2.3
195.11711	2.2
197.13268	6.9
205.15852	5.8
207.13524	1.8
215.14317	6.0
215.17979	2.9
224.05827	1.8
233.15356	25.5
243.17332	2.0
261.18512	9.9
271.16904	3.8
275.20041	4.3
279.19656	2.8
289.17996	16.0
289.21536	7.8
298.66461	1.7
307.19003	38.4
307.22559	2.9
308.11716	2.7
308.15228	3.5
308.18793	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	307.1902
Annotation	Corrin
Peak:m/z	Relative Intensity
53.03933	7.5
55.01866	10.9
55.05259	3.0
55.05507	42.4
55.93504	4.8
56.05009	2.8
56.96547	6.6
57.03432	29.5
57.07048	3.8
58.06570	4.2
65.03921	7.0
67.05499	66.6
69.03410	4.5
69.07059	26.4
70.04054	9.6
71.04977	6.0
71.08627	2.2
72.93772	2.7
79.05487	73.3
81.03410	12.2
81.07051	65.7
83.04965	9.3
83.08611	13.2
85.02907	4.2
85.06527	4.5
86.06044	3.1
88.07618	19.6
89.07928	5.1
90.94813	3.0
91.05473	100.0
92.41649	2.0
93.07039	51.0
95.04953	34.9
95.08603	31.4
95.74301	1.9
97.06510	8.2
97.10171	16.4
98.76475	2.2
99.08077	2.5
103.05464	7.6
104.07053	3.2
105.03407	3.6
105.07020	60.8
106.29259	2.3
107.04955	37.4
107.08588	29.1
109.06517	14.3
109.10166	11.2
111.08068	4.6
113.06028	2.4
115.05446	4.9
117.06995	27.5
119.08572	42.2
121.02871	4.5
121.06503	28.8
121.10108	12.4
123.04470	3.9
123.08073	7.2
123.11718	3.7
125.09641	12.4
128.06171	2.9
129.07014	13.1
131.08554	42.8
132.10165	3.8
133.06458	7.1
133.10114	12.2
135.08057	15.0
135.11658	2.9
137.09612	7.2
141.06956	4.9
143.08533	8.3
145.06470	4.1
145.10135	17.8
146.93425	2.2
147.08043	7.7
147.11687	4.5
149.09608	6.9
151.07506	2.9
153.09090	6.2
155.08463	7.1
155.98662	3.3
157.10062	4.0
159.08034	9.3
159.11664	3.7
161.09573	3.5
161.13167	2.3
163.07559	5.6
163.11255	2.6
169.10091	5.8
171.11705	7.5
173.09563	5.7
173.13228	6.1
177.09094	2.2
185.04922	2.2
187.14793	7.5
189.11226	6.6
189.12766	2.8
197.13260	4.7
205.15837	4.4
214.21660	5.1
215.14244	5.2
215.21997	20.5
225.16353	2.1
229.05203	2.7
229.07462	2.7
231.08990	2.2
231.13840	7.3
233.15326	20.1
239.09581	2.9
243.17381	3.1
257.10696	4.4
259.24585	7.9
260.20258	2.4
261.18481	7.1
263.03363	7.3
267.06705	7.1
267.09265	2.9
269.10486	2.3
271.16965	7.4
278.05713	12.2
285.07687	8.8
285.10565	12.5
287.11862	3.4
289.17969	50.5
303.11124	24.1
307.15790	3.8
307.19012	40.4
307.26694	72.9
308.05536	27.6
308.15118	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	307.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39173	0.4
56.05039	2.4
58.06600	4.2
70.04074	1.4
70.06596	0.6
70.98787	0.9
76.02187	0.4
84.04501	21.2
84.08138	100.0
85.08471	1.1
86.06062	6.5
86.09701	6.0
86.40508	0.4
88.03988	0.5
88.09400	0.5
102.89421	0.4
107.04932	0.5
114.12782	0.6
120.74449	0.5
125.66465	0.5
130.08649	1.8
131.03973	0.4
138.85939	0.4
141.13866	6.1
145.02829	1.4
146.06075	0.6
161.55064	0.5
162.82013	0.4
169.13345	8.0
177.05411	2.2
198.09639	0.5
198.11194	2.4
215.13893	33.1
216.14214	0.5
243.17030	46.3
244.17429	0.6
261.82861	0.6
262.11087	2.9
307.16846	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	307.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	12.2
55.05506	57.4
56.96556	9.0
57.03429	37.1
58.94582	5.0
67.05496	61.4
69.03415	7.7
69.07055	18.4
70.04076	39.9
70.43495	18.5
79.05486	59.1
81.03403	9.6
81.07048	35.6
83.04952	7.7
83.08619	28.7
91.05477	34.7
93.07032	33.7
95.04959	16.7
95.08589	23.3
97.06534	12.7
97.10165	37.6
105.07011	33.9
107.04956	27.0
107.08557	34.5
109.06528	11.9
109.10141	20.7
114.90165	5.4
115.05463	5.3
117.07021	18.7
119.08598	27.8
121.06492	15.0
121.10103	14.8
123.08064	8.8
125.09599	43.7
129.07016	9.6
131.08565	16.6
133.10117	15.5
135.08038	23.4
137.05884	7.1
137.09621	7.5
142.07765	7.3
143.08536	10.7
145.06429	9.9
145.10109	13.2
149.09595	7.5
153.09143	9.2
157.10120	11.3
159.08014	45.3
159.11678	12.3
163.07527	13.3
167.08673	5.0
167.67583	4.8
169.09959	5.9
170.10849	5.8
173.09647	7.7
173.13248	8.0
175.11125	6.4
177.09163	6.6
185.09604	5.6
187.14778	12.4
189.11240	13.3
195.11697	6.2
197.13293	9.7
215.14278	16.5
223.14813	7.6
233.15308	13.6
261.18533	10.6
271.17059	27.1
279.20657	5.0
289.17905	100.0
307.19525	17.2
308.15430	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	307.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	0.3
60.04528	0.4
60.05626	0.3
63.14494	0.3
70.06609	1.9
71.01334	1.0
71.56945	0.3
71.57323	0.4
72.08155	0.5
76.02213	1.0
76.04021	0.4
84.04503	2.7
84.08129	1.4
85.02908	0.5
85.04028	0.3
86.09702	0.5
93.46196	0.3
94.04052	0.6
97.02898	0.5
107.04914	0.4
109.05090	0.4
110.07157	0.8
119.03564	1.0
122.07126	0.5
129.10248	0.4
130.05019	1.1
135.05482	0.3
135.06624	0.6
136.06184	100.0
137.04582	1.4
137.06648	0.8
137.08496	0.3
148.06163	1.3
150.07747	0.5
151.06201	0.3
160.06209	3.7
164.05705	0.7
175.07271	6.1
177.08847	2.2
178.07246	0.4
179.04805	0.4
202.07228	0.4
237.20685	0.4
246.60294	0.3
266.08804	0.5
307.11469	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	307.1327
Annotation	(1aalpha,2beta,3alpha,11calpha)-1a,2,3,11c-Tetrahydro-6,11-dimethylbenzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol
Peak:m/z	Relative Intensity
51.02376	0.9
53.03947	1.1
55.01856	3.1
55.05517	4.3
57.03452	4.2
67.05511	7.6
69.03432	1.2
69.07057	2.2
70.06590	1.1
70.54907	3.3
71.04994	1.3
76.02247	1.5
79.05490	10.0
81.03416	1.6
81.07060	6.1
83.04991	1.9
83.08625	1.5
84.08149	0.9
91.05487	18.5
93.07055	7.0
95.04978	9.1
95.08605	3.7
97.06511	1.2
97.10143	1.1
98.21441	0.9
99.04448	1.0
103.05482	3.1
105.07037	7.6
107.04961	62.7
107.08595	3.2
109.06519	2.7
109.10178	1.5
113.05981	1.7
115.05470	4.6
117.07024	3.9
119.04951	14.5
119.08603	3.5
120.05730	2.3
121.02847	4.0
121.06516	11.8
121.10107	1.9
121.56164	0.8
123.08084	2.2
125.09637	1.2
128.06230	3.2
129.07005	18.1
131.04930	5.5
131.08563	7.6
133.06506	2.3
133.10133	1.7
135.08051	5.8
141.06998	15.7
141.08014	0.7
142.07805	1.3
144.05727	1.5
145.06506	3.1
145.10094	2.7
147.08058	2.2
147.11732	1.0
149.09602	0.9
152.06207	3.8
153.06992	4.4
155.08565	18.2
157.06506	11.0
157.10100	1.0
158.07245	2.0
159.08049	6.6
159.11667	1.0
163.07642	1.4
165.07042	8.8
166.07832	1.0
167.08568	8.4
168.05678	4.7
169.06497	12.0
170.07283	3.3
171.08038	2.7
171.11736	0.9
173.09650	1.6
177.06946	1.1
178.07745	1.7
181.06483	2.8
182.07446	1.0
183.08061	52.0
184.08641	1.0
185.09618	6.7
187.14870	1.3
191.08527	1.1
195.08093	9.0
202.07784	2.8
203.08600	1.2
205.10110	1.3
206.57700	0.9
215.08565	4.7
216.09331	3.7
217.10063	1.2
219.08060	1.8
219.13817	1.3
223.00089	0.8
224.08383	2.0
225.09105	1.3
226.07747	1.6
227.08380	1.0
228.09406	1.2
229.10071	1.3
231.08051	5.5
231.11723	2.1
232.08875	2.1
233.09674	3.0
233.15381	2.6
234.10416	1.0
237.09160	1.7
241.10100	1.8
243.11682	1.5
244.08852	8.9
245.09625	5.3
246.10399	1.9
247.07567	1.6
248.08452	1.6
249.09180	2.0
250.09877	1.5
251.10707	1.4
252.09378	2.1
253.10115	1.4
255.08101	2.3
256.08899	1.2
259.11197	6.7
260.08276	1.3
261.09079	5.1
261.12793	1.2
261.18515	2.1
262.09927	2.0
263.10635	2.7
270.10272	1.1
271.11160	3.0
271.16940	1.7
274.09854	2.5
276.11456	2.6
277.12335	9.9
279.13861	3.3
289.12265	17.4
289.17905	6.2
307.13303	100.0
307.19064	5.9
308.13565	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	307.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.8
55.03007	2.6
55.05508	6.0
55.53485	2.3
56.05038	6.5
56.96575	3.9
58.99589	5.8
60.04537	4.6
65.76777	2.5
70.04082	8.3
70.06201	3.2
70.06595	64.5
70.09251	5.7
70.09640	5.5
71.06904	4.0
72.08153	28.1
76.02232	27.4
76.03996	4.1
78.66364	2.9
79.05535	3.1
83.08602	3.0
84.04507	42.5
84.08145	37.4
84.28907	2.8
85.02944	3.2
85.04037	3.6
86.09699	17.7
88.04025	3.1
89.17995	2.4
91.05466	2.8
95.04968	4.2
97.02844	3.0
98.03552	4.2
102.05544	4.5
107.04955	100.0
110.07167	11.4
112.08739	3.6
115.08755	2.7
116.01737	6.3
116.07131	5.0
120.08105	5.6
126.02997	43.7
129.10242	16.8
130.04991	13.8
130.06534	6.6
131.04613	3.0
131.52356	2.4
134.99675	3.5
144.01169	4.1
144.04034	16.3
152.00969	9.5
158.05629	23.3
162.02217	9.9
169.03606	11.3
170.02013	10.8
177.03322	3.6
179.04947	8.5
184.03613	13.1
184.07350	7.5
187.10820	3.2
201.06250	19.6
233.32014	2.8
256.50226	3.0
266.95993	2.7
281.83105	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	307.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.3
55.01866	4.6
55.05500	6.0
57.03426	9.0
57.07061	2.1
58.99578	2.4
61.02916	3.5
67.05494	7.8
69.03429	34.3
69.07091	2.0
70.06589	5.3
70.42381	6.7
71.04998	10.2
72.08159	4.7
73.02930	3.6
76.02229	7.9
79.05506	13.0
81.03419	32.9
81.07056	9.8
83.08598	2.7
84.04498	7.9
84.08141	5.8
85.02904	87.4
86.09696	7.2
91.05476	15.1
93.07052	8.0
95.04971	4.6
95.08602	4.7
97.02892	28.1
98.21465	2.4
99.04453	46.9
103.03941	100.0
105.07034	10.5
107.04967	9.4
107.08605	5.3
108.08086	2.8
109.02876	24.9
109.06494	2.8
114.09171	10.0
117.07030	4.2
119.08575	6.0
120.08098	4.6
121.06520	4.4
123.08104	2.1
127.03920	98.3
130.05006	3.5
131.08562	7.3
135.08034	3.4
136.06255	2.3
145.04951	26.7
145.10072	3.0
162.02214	3.3
163.06013	11.4
179.04901	3.6
184.07364	2.7
185.82954	1.9
187.06042	11.4
187.14699	2.3
192.08469	3.1
205.07098	5.2
233.15451	5.6
263.16879	2.4
290.11975	2.5
307.15250	4.7
307.19186	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	307.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	1.4
55.05504	2.5
56.05031	3.4
58.99593	2.8
60.04525	10.3
60.05656	1.4
60.77079	1.1
67.05482	1.7
68.05029	1.2
68.25581	1.2
69.03418	2.1
69.07066	2.1
70.04075	1.6
70.06596	39.2
70.35377	4.6
71.04974	1.6
72.08150	11.4
74.06092	1.7
76.02228	11.0
76.04013	2.8
81.07056	1.2
83.06078	1.6
84.04510	17.5
84.08145	23.9
85.02910	2.4
85.04023	1.7
86.09705	18.5
87.00812	1.4
88.03992	1.5
90.67918	1.2
91.05468	4.3
94.06559	3.0
97.02901	2.7
98.98461	1.5
102.05550	3.0
103.03876	1.2
103.05473	2.2
104.10748	1.3
105.67500	1.1
106.07385	1.2
107.04915	2.3
107.21402	1.2
108.08927	1.4
110.07170	7.3
112.08757	2.0
116.01666	3.0
116.07083	1.7
118.06540	2.7
120.08101	7.0
124.03896	1.3
129.10249	10.7
130.04988	2.8
130.06529	100.0
131.04878	1.5
132.04466	27.7
132.05627	2.6
132.10168	1.3
141.10204	2.1
142.05005	1.8
146.05997	8.8
157.07620	70.6
158.06018	98.5
159.06387	2.3
162.02167	4.2
173.07072	4.8
175.08676	42.6
175.11884	1.7
179.04846	5.7
184.07338	1.6
197.07173	2.2
199.08578	2.7
201.06593	5.0
203.08179	3.2
221.09206	3.9
223.67497	1.3
233.05870	2.7
243.07623	11.6
245.09181	2.8
247.07121	2.1
258.74023	1.3
261.08719	30.8
277.89856	1.3
289.08148	5.7
296.61218	1.3
307.09372	2.1
307.12720	1.3
309.79318	1.2
314.88123	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11051	3.7
56.05024	7.1
56.96558	48.1
57.03424	3.5
69.03426	7.4
70.06583	12.3
70.98110	4.7
71.13702	6.7
71.14039	5.4
72.08151	4.7
72.93797	3.2
73.02909	4.6
73.42657	4.0
74.97598	5.8
75.46349	3.3
76.02237	19.6
76.03975	12.2
81.03401	4.0
84.04497	100.0
84.08145	7.4
84.96011	3.4
85.02907	10.5
85.04018	4.9
85.08453	5.1
95.09055	4.1
96.04492	4.7
98.97535	17.1
100.99146	6.6
101.00891	11.4
107.04948	11.7
115.02452	4.0
116.01663	5.1
116.98631	17.2
117.03372	9.5
119.00186	4.3
119.01913	84.1
121.01642	7.9
128.95303	4.3
128.98602	12.1
130.04990	48.1
131.01869	17.4
131.04543	9.0
132.95857	4.5
133.01701	4.1
133.03474	25.7
134.99660	8.0
135.04352	4.2
137.02972	21.2
142.05003	5.1
143.01895	11.2
143.05634	4.8
144.98076	4.7
145.02705	10.1
145.03601	6.0
146.99620	21.8
147.03281	5.6
149.01151	4.6
150.99126	13.5
151.04504	4.3
155.01921	8.0
157.03419	6.0
158.99690	4.9
159.05038	4.5
161.02924	30.3
161.49573	4.1
162.02208	6.9
162.99098	9.4
163.02715	8.3
163.04138	4.9
163.07840	3.3
165.00720	17.4
169.00127	11.6
169.03444	3.9
173.01649	5.6
173.02960	29.0
174.99106	13.7
175.02701	5.8
177.02275	4.4
177.05482	27.1
179.04881	8.2
183.01791	6.2
184.97397	4.2
186.95926	6.7
187.00861	12.0
187.02846	6.1
187.04530	35.1
187.06126	6.4
189.00748	7.3
190.98596	12.9
191.02277	4.4
191.04016	7.7
193.00208	15.5
199.04529	10.6
202.88997	5.9
203.03964	5.0
205.01913	4.7
205.03856	5.2
205.05562	23.5
207.01704	5.1
208.99660	31.5
215.00392	17.7
217.05585	8.3
219.03477	5.8
227.00735	6.2
230.98085	4.3
231.04317	14.8
235.02112	6.2
235.06834	4.4
237.02827	3.9
243.04283	5.1
245.05028	4.0
247.03008	25.3
248.99133	7.4
253.07594	6.2
253.63306	4.2
257.07721	5.8
265.04044	5.5
267.00363	3.6
277.07700	11.1
305.57657	3.3
307.04135	6.8
307.07938	33.7
307.10168	15.4
308.09082	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05002	0.4
59.30118	0.4
66.03743	0.4
70.29945	1.7
76.22073	0.4
101.00864	0.6
119.01912	7.9
126.96293	0.4
128.63162	0.4
134.99831	0.5
137.02945	3.2
150.62039	0.4
153.00861	0.4
161.55849	0.4
164.42177	0.4
175.03081	0.5
177.00940	16.4
178.01140	0.7
183.01210	0.5
193.04047	0.4
195.01968	0.5
200.02608	0.5
201.00941	0.8
217.04080	2.3
218.63162	0.4
219.01999	23.3
220.02069	1.5
221.01839	0.9
225.00783	1.9
240.05627	0.9
242.03609	0.7
243.01962	6.1
258.06635	1.2
258.87518	0.5
260.02408	0.4
260.04877	0.5
261.03046	100.0
262.03116	3.9
284.04758	5.8
302.03317	0.6
302.05603	2.3
302.96927	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33009	5.3
59.06285	4.6
60.24108	4.5
70.38398	13.4
70.38782	9.0
77.91383	5.1
90.69749	5.3
101.00871	7.2
107.04963	6.1
119.01885	27.7
122.07189	4.5
124.94304	5.9
131.01949	7.8
133.03439	6.3
135.77605	4.8
145.03424	7.1
161.02930	14.9
173.02988	10.7
175.00240	9.1
187.04611	5.3
202.89127	6.7
217.05650	7.3
221.05087	5.4
247.02985	5.3
277.07849	6.5
307.04346	16.8
307.07654	100.0
326.24197	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	307.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.1
56.05029	6.6
56.96566	10.5
57.03438	1.7
58.99575	3.6
58.99841	1.0
60.05641	1.6
60.25568	0.9
61.02932	1.1
66.35438	0.9
68.05016	2.8
69.03419	2.0
70.06593	6.8
71.21594	0.9
71.21939	2.1
72.08132	3.0
73.44625	1.1
74.00666	4.8
76.02232	16.0
76.04002	12.1
77.00896	1.5
77.55193	0.9
80.05016	3.7
80.21522	0.9
81.03399	1.4
84.04506	100.0
84.08128	2.1
85.02888	3.5
85.04035	6.9
85.04836	2.5
92.01678	2.0
96.04472	3.3
97.02879	1.9
97.46819	1.0
98.06035	1.5
98.79765	0.9
98.97631	1.1
99.05568	1.3
100.02174	1.3
101.00899	7.3
102.05540	2.4
109.05225	1.4
112.02185	1.2
112.03947	1.3
112.08743	1.0
113.00899	1.6
113.03477	2.1
114.09055	0.9
115.02435	3.4
115.30711	0.9
116.01653	5.1
116.98662	1.4
119.01922	57.9
120.01996	1.5
121.01634	4.5
127.03907	1.6
128.95367	1.6
128.98636	1.4
130.05006	39.5
130.09750	0.9
131.01903	14.8
131.04501	7.5
131.05341	1.6
131.51915	1.3
131.99371	3.6
133.01666	2.2
133.03470	10.8
135.03130	1.4
137.01990	1.8
137.02962	18.5
138.01813	0.9
138.03017	0.9
139.02580	1.4
140.01639	3.5
141.80629	1.1
142.03259	5.6
142.05003	3.1
143.01888	9.6
144.01085	2.3
144.98097	1.7
145.01590	1.3
145.03430	5.2
145.06049	2.1
146.99655	3.2
147.03351	1.0
147.04996	1.6
148.01201	1.2
149.02913	5.3
149.80597	1.0
151.04549	2.4
153.06567	2.3
155.01886	10.8
155.08191	1.3
157.03517	2.3
159.01324	1.7
159.03305	1.4
161.02957	32.4
162.02133	7.3
162.99117	3.5
163.02692	3.8
163.04509	1.9
165.00745	2.8
168.99808	2.6
170.02614	1.3
173.02972	34.8
174.03246	1.3
175.02756	3.4
175.04559	2.3
177.03496	10.1
179.04918	7.0
181.03758	1.2
183.01752	1.1
184.04544	1.9
185.02748	2.2
185.03816	4.8
186.95880	1.2
187.00885	9.0
187.02774	3.0
187.04417	1.3
189.00679	1.1
189.02432	1.3
189.04320	1.6
190.98627	4.1
191.04033	7.2
196.04482	1.4
196.99318	1.6
197.30743	1.1
199.00864	1.4
199.07111	2.1
201.02393	1.4
203.04013	5.6
204.04048	1.1
205.01912	9.8
205.03809	5.4
205.05553	1.5
208.99608	8.1
209.03027	1.1
210.52890	1.1
211.02074	1.9
211.07182	1.7
215.00388	8.4
215.04709	1.0
217.01811	2.5
217.03772	2.3
219.03468	3.7
221.05003	6.0
227.00751	2.3
229.01854	2.7
231.04333	18.3
233.05815	1.2
235.01978	6.6
235.06566	1.4
238.01959	1.1
239.06085	5.5
243.04338	4.4
245.05624	1.2
247.03004	16.1
247.05162	0.6
248.99220	1.3
253.03900	1.0
257.07657	3.6
265.04019	5.0
286.18790	1.0
289.04102	2.9
307.05191	2.0
307.09512	5.7
307.15869	3.3
308.08994	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	306.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.01860	1.3
55.05510	9.7
57.03432	0.4
57.07055	1.1
65.03922	0.7
67.05503	12.0
69.07065	8.8
69.28738	3.3
70.06564	0.3
72.04495	0.4
79.05490	3.8
81.07050	8.9
83.08608	3.4
85.05283	3.1
86.06055	1.2
91.05477	1.7
93.07048	3.0
95.04955	0.7
95.08603	5.9
97.06505	0.5
97.10168	1.2
98.06053	18.1
105.07013	0.9
107.08582	1.3
108.08072	0.4
109.06487	0.6
109.10154	1.9
110.09687	0.7
112.07623	2.0
119.08553	0.9
122.03634	0.5
123.11685	0.5
124.07606	0.5
126.09132	0.5
134.09576	0.3
135.11655	0.3
137.05966	4.4
140.10706	0.9
142.66298	0.3
147.11609	0.3
152.10670	0.5
154.12257	0.9
166.12289	0.5
168.13884	0.5
176.23874	0.3
182.15329	0.6
196.16913	0.7
203.87056	0.3
205.14520	0.3
208.16978	1.0
210.18457	0.3
212.38165	0.4
219.17545	0.4
222.18434	0.8
234.15749	0.3
236.20015	0.4
264.23257	0.3
294.97098	0.3
306.27896	100.0
307.28281	2.5
325.27170	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
54.57324	0.2
55.01878	1.0
55.05513	8.2
56.05008	0.3
57.03397	0.2
57.07070	1.0
65.03941	0.5
67.05507	11.7
69.07070	8.8
69.07455	0.3
70.85483	0.5
71.08617	0.4
72.04509	0.5
79.05495	3.2
81.03413	0.3
81.06588	0.5
81.07057	8.6
82.06574	0.4
83.04951	0.4
83.08204	0.3
83.08623	2.9
85.04816	0.2
85.05291	3.3
86.06072	1.1
91.05482	1.4
93.07037	2.5
95.05031	0.5
95.08608	6.1
96.08141	0.5
97.10155	0.8
98.06055	17.6
98.09658	0.2
98.48235	0.2
99.06850	0.3
105.07018	0.8
107.08614	1.3
109.06507	0.5
109.10165	1.8
110.09670	0.6
111.08081	0.2
112.07608	2.2
119.08562	0.9
119.90162	0.2
120.08060	0.3
121.10136	0.8
123.08068	0.2
123.11694	0.5
124.07568	0.3
124.11187	0.3
126.09149	0.7
133.10133	0.6
135.11661	0.3
137.05951	0.4
138.09135	0.5
140.10712	0.8
145.10112	0.3
147.11670	0.3
152.10681	0.3
154.12227	1.0
165.12727	0.4
168.13829	0.6
173.09517	0.2
180.13875	0.5
182.12411	0.2
182.15398	0.4
196.16954	1.0
200.18570	0.2
208.16983	0.9
219.17480	0.6
222.18643	0.6
236.20006	0.5
250.21622	0.4
251.62964	0.2
262.25177	0.2
275.20068	0.7
283.47516	0.3
306.27908	100.0
307.22607	0.4
307.28201	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07069	1.2
70.88416	1.2
73.77991	0.5
75.10384	0.5
75.56210	0.5
79.05495	0.8
81.07047	1.2
88.82732	0.5
91.05473	0.6
94.04180	2.5
105.63081	0.5
118.24579	0.5
122.03649	6.7
128.22871	0.5
135.11674	1.4
137.05975	100.0
138.06340	0.9
153.12766	1.4
170.15349	2.3
175.49132	0.5
182.15399	1.9
306.20645	0.7
320.39780	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74778	3.3
56.86601	3.3
60.04524	23.2
60.05633	5.0
65.77486	3.5
70.02964	4.2
70.06594	100.0
70.52338	12.5
71.04995	4.7
71.06918	37.1
72.08166	9.7
74.02448	3.9
74.06068	3.8
84.04507	28.4
84.08149	6.9
85.02882	4.4
85.46564	3.7
86.09708	12.0
88.04005	5.8
102.05536	34.4
103.05894	14.2
112.05130	6.7
112.08738	5.9
115.08688	7.7
116.07120	18.9
117.07464	10.9
119.01925	19.5
130.04979	10.7
133.09724	8.0
134.10072	6.6
137.22308	4.0
143.05669	35.1
144.06046	18.2
146.03712	5.9
148.06081	7.3
158.03654	5.0
159.07660	6.7
160.07977	5.0
161.03053	10.7
162.03123	4.7
173.02921	8.1
174.03131	5.7
186.03162	8.3
190.08136	4.7
191.08498	4.3
202.89128	7.6
204.04335	5.8
235.02003	4.4
288.13937	5.0
306.09573	19.3
306.14850	58.7
307.09845	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	306.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
59.54139	7.4
68.38356	6.8
71.12181	17.2
71.12541	10.3
106.83090	8.8
125.93214	9.3
143.70470	8.2
186.06111	26.5
187.04533	17.6
187.13341	7.8
204.07140	24.6
237.26184	8.5
256.69678	8.1
267.51520	7.9
289.89694	9.3
306.09506	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
55.01855	1.0
55.05504	1.6
56.96560	45.2
57.03422	0.9
67.05500	1.9
69.07068	2.1
70.06590	2.1
71.59579	1.6
71.95253	2.9
72.08139	1.5
72.93779	1.4
72.96041	2.4
79.05486	2.2
81.07059	3.3
82.07381	1.6
83.08630	0.9
84.04533	1.1
84.08137	1.1
84.95992	1.2
90.94810	1.1
91.05489	3.4
93.07032	2.2
95.04945	0.9
95.08613	2.0
96.08142	1.0
98.97533	0.9
105.07048	1.8
107.04955	1.8
107.08552	1.8
108.08096	1.2
110.97556	1.0
118.06545	1.0
119.08574	1.4
120.08131	1.1
120.08960	0.8
121.10168	1.9
125.01558	1.2
132.95853	1.6
133.10168	1.1
134.09680	1.0
137.02753	1.5
137.05965	1.4
139.00705	0.9
141.02237	1.6
141.42714	0.8
146.99680	1.1
150.96922	1.0
155.03821	3.3
157.01743	2.3
158.97604	1.8
159.03276	1.9
160.97340	3.1
161.01295	1.3
162.09183	1.5
162.97054	1.0
166.12259	0.9
169.01762	4.2
171.03297	5.5
173.04767	0.9
174.96939	1.0
175.02795	2.1
176.84044	1.0
177.04369	1.1
178.44250	0.8
183.03352	0.9
183.06882	0.8
185.04849	1.2
187.02791	6.7
189.04343	12.2
201.04367	1.8
203.05922	1.6
207.05386	3.3
209.04871	2.9
211.06409	1.9
211.10027	1.2
212.05722	1.0
212.12964	1.4
217.05492	0.9
221.04947	1.3
221.08545	2.7
227.05936	2.4
235.06369	1.2
236.70854	1.0
237.07954	4.0
239.09538	20.1
241.07471	1.0
247.06522	2.9
253.07414	1.0
255.09056	4.0
257.10587	36.2
257.13303	2.0
258.10968	0.9
262.11115	1.7
265.04724	1.1
265.07449	19.1
273.10089	1.1
275.11823	1.1
280.12262	2.1
280.38254	0.9
283.06165	4.9
283.08548	100.0
284.08813	2.4
288.13065	0.8
301.09561	65.3
302.09879	1.1
306.07513	0.7
306.10214	13.5
306.17368	1.4
306.20670	7.3
306.25970	1.0
311.66382	0.9
324.11197	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	306.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01729	0.5
55.05505	0.8
55.93524	0.7
56.94298	1.9
57.07067	5.4
58.06578	1.8
61.93337	0.5
63.39376	0.5
64.00096	0.5
67.05489	1.0
68.05018	0.7
69.07064	0.7
69.97231	2.3
69.97639	1.1
70.06588	22.7
70.95853	2.5
71.08621	3.4
72.08149	2.8
72.93779	6.9
79.05470	0.9
81.03414	3.8
81.07034	0.7
84.08142	2.1
86.09708	3.1
87.04471	0.6
88.07623	10.1
88.96870	1.1
90.94828	3.8
91.05462	2.1
93.07024	1.3
95.04976	0.6
98.20674	0.6
100.96885	0.5
102.09167	5.5
105.07024	1.3
107.04941	1.1
108.95876	1.0
114.09165	0.7
116.96339	0.7
119.08565	0.7
125.01530	0.9
126.98355	0.8
128.96359	1.9
132.10191	7.1
132.95815	0.6
134.98872	0.9
137.05960	0.6
138.98401	1.2
143.08527	0.6
144.95807	0.8
146.11757	7.9
146.97403	1.5
148.98949	1.4
154.97870	2.1
156.17477	2.8
156.99522	1.1
162.96906	1.5
164.99919	0.8
166.97885	1.9
168.99478	0.9
170.97318	0.6
172.98935	2.0
178.97894	1.0
182.19035	0.9
183.00938	0.9
184.99080	1.2
186.01250	1.0
189.03644	1.1
192.99466	1.1
199.02115	1.7
200.20085	21.0
201.02104	1.1
207.00996	1.0
209.02625	1.0
219.04608	1.0
230.51349	0.6
244.22710	38.7
265.05191	10.9
283.06238	49.4
284.06577	1.1
288.25345	1.2
306.07861	3.8
306.20633	2.7
306.26361	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.0931
Annotation	Convicine
Peak:m/z	Relative Intensity
53.03945	0.6
55.01868	0.8
55.05497	0.3
55.93505	0.6
56.05022	0.4
56.96558	1.0
57.03443	1.2
60.04510	0.4
61.02922	2.2
67.51392	0.3
68.05032	0.2
69.03072	0.4
69.03426	5.5
70.02925	0.3
70.06580	1.2
70.16429	0.9
71.04988	0.7
72.08151	0.7
72.93779	0.8
73.02906	0.9
73.04035	1.0
74.06043	0.3
76.04025	0.2
81.03410	2.2
84.04482	1.2
84.08144	1.4
84.96021	0.5
85.02899	12.4
86.03196	0.3
86.09698	0.4
87.04467	1.1
88.05125	2.2
90.94799	1.0
91.03956	0.7
95.04964	0.3
97.02889	4.5
98.06030	0.3
98.97565	1.1
99.01925	0.4
99.04444	0.8
101.03498	0.5
102.05534	0.4
107.04949	7.9
108.05289	0.4
109.02869	1.1
112.07591	0.3
113.03454	0.3
116.07097	0.3
116.98604	1.1
122.07139	0.6
127.01395	1.7
127.03899	2.5
128.98598	0.7
130.04993	0.5
132.08377	0.4
132.95798	1.5
134.99670	0.5
137.05988	0.5
139.06128	0.8
143.05618	2.0
143.87018	0.3
144.04033	100.0
145.04921	1.0
146.99637	0.9
149.96094	0.4
150.00684	0.3
150.96906	0.8
158.97365	0.4
160.95297	0.3
162.96828	0.3
164.08197	0.6
168.63109	0.2
170.08205	0.5
174.03923	0.6
174.96826	0.9
176.98442	0.4
177.00665	0.2
177.03319	0.7
180.16351	0.2
186.97000	0.3
189.00792	0.4
190.96295	0.3
191.97249	0.3
200.06700	0.4
200.09174	1.1
216.97942	0.4
219.01746	0.5
234.98990	1.0
237.02823	1.7
244.06029	0.3
253.00133	0.4
262.01553	0.3
265.11044	0.3
289.03690	0.4
306.09393	0.5
307.04477	0.5
325.05984	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2474
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03925	5.9
55.01878	5.2
55.05510	24.0
57.03439	6.2
57.07066	7.3
65.03922	4.3
67.05506	24.7
68.06644	3.6
69.03426	15.1
69.07056	19.1
69.41582	32.0
69.63456	3.8
70.06593	6.5
71.05000	47.8
73.58389	3.7
79.05496	36.9
81.07058	81.9
83.04961	4.3
83.08617	8.1
85.06536	7.4
86.09707	5.0
91.05485	41.1
93.07050	70.0
95.04959	12.5
95.08603	39.9
97.06525	8.3
97.10162	4.6
99.08091	13.2
104.10714	5.4
104.46094	3.7
105.07038	40.6
107.04975	36.8
107.08598	72.6
109.06520	6.3
109.10167	26.1
111.08112	6.2
111.11656	4.1
117.07003	13.1
119.08574	40.9
121.10118	18.8
123.08045	8.2
123.11695	17.1
125.09598	19.7
127.07576	8.0
127.11195	88.1
129.06996	6.5
131.08531	10.8
133.06494	7.1
133.10136	22.2
135.08037	7.4
135.11697	100.0
137.09647	5.2
137.13297	7.9
139.11189	5.8
143.05661	17.2
143.08559	8.1
145.10158	27.3
147.11639	11.9
149.09688	5.0
149.13341	8.9
151.07491	4.0
155.10677	46.9
157.10144	14.7
159.11693	21.2
161.13229	10.1
171.11725	6.3
173.13271	8.3
175.07561	6.2
175.14816	5.7
177.16415	5.9
183.13869	12.4
185.13225	13.1
189.16533	6.4
190.96130	3.7
199.14844	6.9
201.16380	34.2
213.12717	4.7
213.16380	8.0
219.17464	19.4
269.22476	4.8
287.16470	6.1
287.23672	14.1
305.11752	10.8
305.17480	28.4
305.20932	4.9
305.24576	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	305.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.1
55.01865	12.0
55.05265	2.9
55.05510	55.8
56.96569	4.7
57.03432	60.0
57.07060	10.3
58.55429	2.5
59.04996	5.7
59.74214	3.0
59.81865	3.1
63.71210	2.5
65.03935	6.8
67.05502	66.0
67.85370	2.6
69.03423	5.3
69.07059	27.5
70.04066	42.0
70.06618	4.0
71.04996	9.7
71.08622	3.4
71.60325	2.5
71.60714	6.6
79.05487	62.2
81.07051	61.8
83.04977	9.5
83.08617	24.8
85.06549	15.7
91.05476	89.8
93.07034	49.0
95.04978	18.8
95.08587	34.2
97.06514	7.5
97.10166	28.1
103.05480	4.4
105.03411	6.9
105.07021	57.6
107.04979	15.6
107.08581	47.1
109.06514	30.6
109.10150	47.8
111.08093	6.3
115.05469	6.8
116.06261	4.6
117.07005	50.0
119.08575	62.0
121.06509	9.7
121.10142	20.1
123.08092	8.1
125.06035	3.2
125.09622	38.8
127.11174	5.5
128.06244	8.2
129.06989	26.9
130.07733	3.3
131.08554	48.6
133.06467	9.0
133.10126	27.4
135.08055	37.9
135.11697	10.5
137.05992	10.3
137.09650	6.5
141.06998	7.6
142.07788	7.0
143.08516	22.0
145.10109	38.0
145.22708	3.2
147.08026	44.0
147.11673	7.6
149.09618	12.9
151.07509	6.4
153.09097	10.1
155.08548	5.6
157.10109	26.4
159.08028	4.6
159.11705	25.5
161.09616	12.1
163.07533	4.0
163.11169	4.2
169.10083	4.8
171.10384	2.9
171.11667	15.7
172.54561	2.9
173.13234	7.0
175.11162	8.3
177.09186	3.2
181.10141	4.8
183.11684	9.2
185.13315	6.1
189.12668	4.8
195.11729	6.6
197.13289	5.3
199.11320	3.2
199.14845	10.1
201.12711	12.5
203.12712	18.0
217.15848	32.8
227.17802	3.8
227.95041	3.1
231.95409	3.1
233.15413	9.0
237.16536	4.5
245.19025	8.1
247.46890	3.3
255.17468	16.4
273.18475	100.0
287.16431	9.2
287.19952	6.3
305.09824	7.6
305.17798	7.0
305.21133	42.9
305.26773	12.4
305.31357	46.5
306.13797	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	305.2109
Annotation	Agallochin I
Peak:m/z	Relative Intensity
52.31450	4.4
53.03939	6.1
55.01861	7.1
55.05502	28.7
56.36408	3.8
56.96554	18.2
57.03435	6.1
57.07057	9.7
59.04988	8.7
65.38652	4.0
67.05492	41.7
69.03415	11.3
69.07057	32.5
70.04067	8.3
70.06587	11.6
71.04985	33.3
71.59856	4.3
72.08127	5.0
75.79851	3.8
77.00819	3.7
77.71534	3.6
79.05486	37.5
81.07046	53.8
83.04974	17.8
83.08606	17.6
84.96014	4.2
85.02900	6.3
85.06538	10.8
87.04446	5.5
88.07627	10.3
91.05479	46.5
93.07032	78.8
95.04955	26.6
95.08028	7.3
95.08596	75.9
97.02806	4.0
97.06525	14.8
97.10161	6.8
98.97564	41.5
102.09147	6.7
103.05477	4.4
105.07014	66.2
107.04958	12.0
107.08579	59.4
109.06526	30.8
109.10133	30.6
111.08099	8.5
116.98596	34.2
117.06992	22.4
119.08566	71.9
121.06493	18.5
121.10130	64.4
123.08041	15.5
123.11674	9.4
125.09643	20.8
128.06203	6.7
128.98541	5.1
129.06998	16.0
130.07771	6.2
131.00172	6.3
131.08546	59.8
133.06458	9.9
133.10104	43.0
134.99652	26.2
135.08051	12.5
135.11661	16.4
137.05991	13.8
137.09595	10.6
141.06995	5.8
142.07755	10.6
143.08531	29.2
145.10098	58.0
146.99686	6.2
147.08044	11.4
147.11676	27.0
149.01207	20.7
149.09624	32.1
149.13219	6.6
151.07532	11.1
151.11189	5.9
155.08566	8.2
156.09354	13.2
157.10098	39.4
158.10901	9.7
158.99593	9.2
159.08086	6.2
159.11673	54.5
161.09560	22.5
161.13277	10.3
163.11131	10.4
165.09138	10.0
167.10645	7.4
169.10121	11.8
170.10907	6.6
170.91978	3.9
171.11630	34.7
173.01204	10.1
173.09613	6.6
173.13257	44.3
175.11189	8.5
175.14827	11.4
177.00694	21.8
177.12747	6.1
179.06955	5.2
181.10126	5.9
183.11711	8.5
185.13242	15.7
187.11147	10.0
187.14807	11.5
189.12663	7.8
191.02226	17.8
191.14297	4.5
195.11682	7.9
197.13324	6.2
199.14856	21.3
202.98540	9.6
203.14349	7.5
205.12160	5.1
209.13162	7.8
211.14801	10.9
213.12689	13.2
213.16354	18.5
215.17952	9.1
219.01697	5.3
224.08014	18.3
225.16464	6.5
227.14195	5.8
229.15935	5.2
231.13698	5.6
237.02739	5.0
241.19476	12.2
243.17390	5.1
243.25107	13.9
244.99648	5.2
245.15302	9.7
251.18013	5.7
259.20511	5.5
269.19135	19.8
269.22165	4.1
273.18408	8.6
283.08340	22.0
287.16245	12.3
287.20016	30.1
296.42230	5.3
305.10733	5.8
305.17285	31.0
305.21094	100.0
305.28644	39.8
306.21478	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	305.2107
Annotation	Caribenol B
Peak:m/z	Relative Intensity
52.43735	0.3
53.03928	1.7
55.01864	2.8
55.05509	11.8
57.03434	0.4
57.07053	0.7
59.04974	0.7
60.05573	0.3
65.03912	0.9
67.05500	11.2
69.03406	1.4
69.06702	0.6
69.07059	6.5
71.04965	1.0
73.06535	0.8
77.03943	0.5
79.05486	18.6
79.99107	0.4
80.05826	0.4
81.03403	1.2
81.07050	17.0
83.04974	1.4
83.08608	5.6
85.06538	0.5
86.07611	0.4
91.05473	13.9
93.07034	20.2
95.04961	4.9
95.08598	7.0
97.06540	1.0
97.10162	5.1
99.70384	0.4
100.85822	0.4
103.05436	0.6
105.03403	0.7
105.04484	0.5
105.07022	9.5
107.04948	3.6
107.08589	12.0
109.06499	1.6
109.10155	2.6
111.08100	0.7
112.08821	0.4
115.05424	0.9
117.07004	4.9
119.04919	1.5
119.08573	9.7
120.05652	0.5
121.06524	2.6
121.10126	7.8
123.08054	0.8
123.11689	0.7
125.09621	2.7
126.99859	0.4
128.71877	0.4
129.06998	2.1
130.07773	0.9
131.08565	6.0
133.06464	4.5
133.10127	2.9
134.07263	0.5
134.62518	0.4
135.08037	2.9
135.11678	7.0
137.09622	0.5
143.08542	2.5
145.06474	0.5
145.10107	4.7
147.08026	7.1
147.11633	0.9
149.09610	1.9
149.13229	4.0
153.09117	0.5
157.10106	2.1
159.07970	0.5
159.11678	1.3
161.09552	2.2
161.13297	0.5
162.10355	1.1
163.11159	1.2
163.14790	1.1
167.10802	0.5
171.11710	1.3
173.13313	0.5
175.11198	1.3
177.12706	0.4
185.13199	0.7
203.12810	1.4
207.13705	0.6
213.12807	0.4
227.17937	0.6
237.14673	0.6
255.17358	1.0
263.16470	0.9
263.19891	0.5
273.18475	6.1
287.23471	0.5
305.21106	100.0
305.24570	7.4
306.21558	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	305.2108
Annotation	Caribenol B
Peak:m/z	Relative Intensity
50.46299	0.5
53.03928	1.6
55.01870	3.5
55.05261	1.0
55.05507	14.5
57.03422	1.5
57.07078	0.9
57.59865	0.6
59.04985	0.6
60.40431	0.7
65.03909	0.9
67.05501	9.0
69.03426	2.4
69.07068	4.9
70.04061	0.8
71.04996	1.0
79.05052	1.0
79.05486	14.2
81.03404	0.8
81.07055	14.3
83.04945	1.6
83.08608	6.1
85.06538	0.7
88.11931	0.6
91.05474	14.3
93.07039	11.0
95.04967	5.9
95.08607	6.7
97.06507	0.9
97.10159	7.6
98.07307	0.6
98.21589	1.2
103.05452	0.9
105.07027	12.0
107.04948	6.2
107.08588	7.5
109.06491	2.0
109.10135	1.9
111.08062	1.1
115.05454	1.3
116.06252	0.6
117.06997	7.6
119.04910	2.0
119.08574	14.3
121.06487	4.3
121.10118	3.4
123.08048	1.8
125.09642	6.0
128.06224	1.2
129.07007	3.5
130.07774	1.1
131.05005	0.8
131.08554	8.4
133.06483	5.0
133.10120	2.3
135.08025	3.7
135.11673	1.3
141.06927	0.7
143.08551	3.2
145.06464	0.9
145.10114	6.3
147.08040	9.4
147.11665	1.2
149.09645	2.7
153.09052	0.9
155.08592	0.8
157.10104	1.7
159.08096	1.2
159.11691	2.2
161.09616	2.6
162.10399	1.1
163.11186	2.4
171.11646	0.8
173.13254	0.8
175.11176	1.7
187.11169	0.8
189.12750	1.0
195.11688	0.8
203.12753	4.2
230.61842	0.7
245.18875	0.7
255.17412	1.5
263.16370	1.3
273.18448	8.0
305.21085	100.0
306.21405	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	305.2106
Annotation	Agallochin I
Peak:m/z	Relative Intensity
55.01857	8.9
55.05514	25.1
56.11986	2.7
57.03428	9.0
57.07054	6.3
59.04996	47.8
59.48568	2.9
65.03926	11.7
66.60329	3.5
67.05164	5.1
67.05499	71.6
69.03419	4.1
69.07056	14.3
79.05491	41.3
79.65569	4.0
81.03384	2.8
81.07061	37.2
83.04983	14.2
83.08601	5.0
85.06532	32.2
91.05473	66.5
93.07035	47.5
95.04353	6.1
95.04964	100.0
95.08604	27.2
97.06535	7.5
98.20692	5.7
99.04462	5.0
99.08082	4.9
103.05447	4.0
105.07022	53.7
107.04929	16.6
107.08591	37.3
109.06519	40.0
109.10149	12.0
111.08050	7.7
115.05440	8.2
116.06197	4.7
117.07026	26.2
119.08577	34.9
121.06499	18.6
121.10133	57.7
123.08047	30.0
125.01548	9.3
125.09615	10.0
128.06215	5.2
129.06975	13.5
130.07770	6.4
131.08569	30.1
133.06468	14.5
133.10098	14.6
135.07114	4.4
135.08061	63.4
135.11667	9.0
137.05956	5.4
137.09593	7.8
139.11214	4.0
141.06924	4.3
142.07814	6.6
143.08533	20.3
145.06517	3.9
145.10118	37.8
147.08009	10.7
147.11662	12.2
149.09598	44.0
149.13213	3.9
150.10388	63.4
151.11136	40.9
155.08546	4.4
155.10634	5.6
156.09323	10.6
157.10118	22.3
159.11655	12.7
161.09601	9.4
163.11145	8.3
165.09076	17.8
165.12706	3.2
167.08621	4.6
167.09163	3.0
167.10663	37.3
169.10083	7.8
170.10738	3.3
171.11679	16.6
173.09615	8.0
173.13332	11.9
175.11212	6.9
177.12718	9.2
181.10101	8.5
182.10858	6.0
183.11632	4.3
185.13269	6.8
187.11230	5.2
189.12709	10.7
195.11668	8.6
197.13245	15.6
199.11163	11.0
203.14351	3.8
205.12250	26.7
205.15948	10.6
207.11646	9.5
208.12616	3.3
211.14934	4.4
213.12776	8.5
213.16437	4.0
215.14252	8.8
217.15799	3.4
222.14044	5.9
227.17952	4.5
229.15889	9.1
231.13788	4.3
233.15448	6.5
237.16287	15.1
247.16913	4.0
248.98705	6.1
249.14854	4.1
255.17363	25.4
269.18945	10.2
273.18488	38.2
276.98108	4.7
284.76645	3.7
287.20044	93.4
304.97653	17.7
305.21088	91.6
305.24539	3.6
306.21341	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32336	0.9
51.02382	0.8
53.03941	2.2
55.01868	10.3
55.05508	12.4
56.96572	1.5
57.03434	7.3
57.07077	1.2
65.03934	6.7
66.79920	0.9
67.05499	63.1
69.03416	3.2
69.07063	8.0
71.04975	1.6
71.11463	1.4
79.05486	33.4
81.03423	2.8
81.07049	26.1
83.04974	2.9
83.08616	3.0
85.06530	5.2
85.19856	0.9
91.05474	27.4
93.07037	25.5
95.01344	0.8
95.04962	100.0
95.08598	12.3
97.06527	6.7
97.10174	2.2
103.05482	1.7
105.07028	21.8
107.04954	14.1
107.08598	16.7
109.06509	34.0
109.10149	2.7
111.08085	3.1
115.05450	2.2
116.06247	1.7
117.07005	10.0
119.04867	1.1
119.08574	10.0
121.06495	10.1
121.10142	6.6
121.87671	0.9
122.49623	0.8
123.08068	2.8
125.09659	2.7
126.25347	0.8
128.06209	3.1
128.68391	0.8
129.07005	5.9
131.08568	16.5
131.55084	0.8
133.06488	3.3
133.10118	6.0
135.08043	36.6
135.11665	6.7
137.05956	3.4
137.09613	1.1
139.12930	1.0
141.06943	1.4
142.07796	0.9
143.08539	8.8
145.06476	1.4
145.10124	8.7
147.08049	7.0
147.11674	3.1
149.09612	5.4
149.13239	3.0
155.08557	1.0
157.10168	3.5
159.08031	1.2
159.11690	6.0
161.09589	5.9
161.13142	1.2
163.07523	2.0
163.11198	3.8
165.12779	1.3
169.10141	2.6
171.11676	3.4
173.09689	1.3
173.13310	1.5
175.11188	2.0
177.12738	4.2
181.10068	1.4
183.11700	1.4
185.09567	1.8
185.13263	2.7
187.11180	2.1
193.12129	0.8
195.11694	1.5
199.14859	2.2
201.12683	1.5
205.12135	1.5
209.13405	0.9
217.15868	6.9
227.18002	2.5
231.17465	1.0
233.15355	1.4
237.16216	1.5
245.18990	1.7
247.09377	1.0
255.17418	3.4
273.18475	27.8
287.20139	1.1
305.21106	17.4
305.31464	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	305.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.7
55.01859	3.3
55.02993	1.2
55.05510	17.0
56.05834	2.0
57.03418	1.9
57.07076	7.9
59.04981	1.7
65.03912	1.7
67.05503	29.7
68.05818	4.4
68.60562	0.8
69.03413	1.9
69.06723	1.3
69.07063	15.6
70.04063	4.5
70.07390	1.1
71.04973	2.4
71.11768	2.6
79.05058	1.7
79.05490	27.7
80.05809	2.4
81.07052	33.5
82.07375	3.4
83.04925	2.8
83.08625	6.8
85.05274	2.7
85.06526	5.6
88.48222	1.1
91.05477	30.9
92.05782	1.0
93.06459	1.8
93.07036	27.0
94.07361	2.9
95.04995	6.2
95.08602	20.2
96.08920	3.3
97.06511	4.3
97.10167	5.1
98.06047	14.3
99.04420	1.4
99.05768	1.3
99.06339	4.6
99.08093	1.1
100.05095	15.0
103.05418	2.0
105.07025	25.7
106.07389	1.3
107.04933	3.8
107.08582	13.0
108.08907	1.0
109.06516	4.4
109.10126	4.8
110.10470	1.3
111.08067	2.6
112.07582	2.5
113.05985	1.3
115.05421	2.9
115.07561	0.9
117.07011	13.1
119.08578	14.8
121.06489	3.7
121.10130	8.9
122.10501	1.0
123.04423	0.9
123.08052	3.2
123.11742	2.2
125.01524	2.1
125.09639	4.4
128.06200	5.7
129.06970	6.4
130.07751	2.9
131.08557	26.6
133.06490	1.9
133.10123	9.8
135.08035	5.2
135.11668	3.4
137.05956	2.1
137.09608	2.3
139.11166	3.0
141.06950	1.6
142.07736	1.6
143.08553	20.5
144.09224	1.0
145.10110	24.6
147.08031	4.1
147.11653	4.5
149.09634	5.2
151.07574	1.0
155.08479	2.0
157.10107	6.5
159.08046	1.8
159.11685	6.5
161.09604	5.5
161.13292	1.2
163.11166	2.3
165.01007	1.6
167.08560	1.2
169.10104	3.6
171.11626	5.5
172.08740	1.5
173.13266	2.0
175.11111	2.0
179.02534	2.7
181.10069	2.7
183.11670	3.3
185.13283	3.1
193.73341	1.0
195.11717	5.4
207.05725	8.6
211.14937	1.3
222.04353	5.1
227.17929	2.2
237.16327	5.4
245.18973	2.3
250.03674	3.6
255.17430	4.5
273.18454	13.3
278.10641	1.4
287.19919	2.8
305.21573	6.8
305.26648	100.0
306.09998	10.6
306.13647	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	305.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
54.41697	0.5
55.01871	0.6
55.05490	0.7
56.96554	4.8
57.03409	0.6
65.03923	0.6
67.05492	3.1
69.03365	0.5
69.07040	1.2
69.63342	1.5
69.63763	1.9
70.06557	1.4
71.04973	0.7
72.08108	0.6
72.93764	1.4
79.05457	1.7
81.07032	2.2
84.04453	0.8
84.08136	0.9
85.02908	0.6
86.09682	1.4
87.10006	0.5
88.59084	0.5
90.94801	1.1
91.05453	1.2
92.04964	0.5
92.05757	0.5
93.07017	2.0
93.59383	0.4
93.67621	0.5
94.06544	2.0
95.04963	1.3
95.08589	1.4
96.08114	1.0
97.02894	0.5
97.06499	1.6
98.97566	1.1
105.06998	0.9
106.06487	0.7
107.04954	3.8
107.08569	1.8
108.04456	1.4
108.08089	1.2
109.06458	0.6
109.10121	1.0
116.98564	1.0
117.07047	0.6
119.04900	0.9
119.08515	1.2
120.08064	1.0
121.06464	1.6
121.10172	0.7
122.06022	9.2
122.09622	0.5
123.04385	0.8
123.06264	0.6
124.07578	4.8
131.00185	0.5
131.08524	1.0
132.95815	1.8
133.10130	0.9
134.99667	0.7
135.11641	1.8
136.07570	1.9
138.09132	9.9
139.09514	0.7
142.01741	1.2
143.05582	1.2
145.06505	0.5
145.10078	0.6
146.99704	0.6
150.05487	3.7
150.09108	0.5
150.19946	0.5
150.96877	1.5
155.97403	0.9
157.08815	1.0
157.10057	0.6
158.06012	1.4
158.09578	0.8
158.97594	0.8
158.99629	0.8
159.11638	0.7
160.02821	4.0
160.07555	1.1
160.09908	0.9
161.09555	0.6
162.05386	0.6
162.09155	0.7
163.08667	1.5
164.07095	5.0
165.07428	3.4
172.07526	1.4
172.11230	3.6
172.12622	0.7
173.08313	1.0
173.98749	0.6
174.09056	1.7
174.11526	6.0
174.96866	2.6
175.08592	1.3
176.10725	1.0
177.00719	1.0
181.04919	0.7
182.08144	1.0
185.08322	1.2
186.12811	1.4
187.08578	0.7
188.09337	1.2
188.10783	1.0
189.10194	1.6
189.13934	3.6
190.08627	0.8
190.96362	0.5
191.02298	0.5
191.08990	0.8
194.04953	0.6
199.09888	1.4
200.10692	29.9
202.10922	8.9
203.08942	0.6
203.12497	1.4
204.10181	0.6
213.10913	0.7
214.12267	9.3
216.10065	0.8
217.10155	1.7
217.13338	21.9
227.11713	1.2
228.10204	5.6
229.13289	1.1
230.11832	0.9
231.12172	3.4
231.14072	0.9
232.12035	2.1
233.12857	1.8
241.13287	1.9
242.11769	8.4
243.14850	3.5
245.12839	76.0
246.13232	1.4
248.06058	0.6
257.12830	1.1
258.11060	1.2
258.13428	0.9
259.11554	18.5
259.14127	7.9
260.12598	0.7
261.09268	0.5
269.12875	0.9
270.11206	0.9
279.10141	0.8
282.97559	0.7
283.06335	1.2
287.11230	4.2
287.13876	100.0
288.14182	1.6
305.08069	1.0
305.12021	14.3
305.14960	17.2
323.09158	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	305.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18388	1.6
55.05498	4.3
56.05035	1.8
56.32230	1.5
56.96557	6.5
59.04996	1.5
67.05499	7.7
69.03413	2.5
69.07069	2.7
69.50631	9.1
69.51052	4.2
70.06587	100.0
79.05487	6.4
81.07060	8.6
83.08599	2.5
84.04481	2.1
84.08149	4.7
85.02926	2.8
86.09708	3.3
87.38268	1.6
91.04639	1.9
91.05500	7.8
93.07058	9.0
94.06567	3.2
95.04964	5.6
95.06090	4.4
95.08599	4.6
97.06530	1.7
98.97588	6.2
102.05521	2.2
103.05433	2.0
105.07026	4.1
107.04929	11.0
107.08594	4.2
108.08119	3.1
109.06488	2.4
109.10159	4.7
112.07597	74.7
116.98619	6.5
117.07034	2.7
119.08560	3.2
120.08105	3.5
121.06540	2.0
121.10142	3.1
122.06017	5.1
124.07570	8.5
129.06961	1.6
131.04910	2.1
131.08527	3.9
133.06445	1.9
133.10153	2.5
134.99663	4.0
136.07567	80.4
140.07051	40.3
140.08081	3.4
143.05646	6.5
143.08636	2.1
146.99663	2.1
149.01282	5.1
150.05540	1.8
151.07471	2.2
152.07069	14.1
157.06555	2.0
158.99669	3.5
161.01241	1.9
161.05977	2.5
164.07060	66.7
170.08145	2.6
173.97115	1.5
176.14366	2.8
177.00694	5.6
182.08105	15.6
189.09146	3.5
219.01785	1.9
224.08182	5.1
224.58156	1.9
272.88809	1.6
287.13760	5.4
287.19586	2.0
305.05533	8.0
305.11353	3.6
305.14822	4.7
305.24860	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.43705	0.3
60.04527	3.0
60.05648	0.9
61.02937	1.0
69.03443	0.8
70.02969	0.4
70.06594	39.8
70.72963	1.1
71.04977	1.2
72.08160	1.4
73.02919	0.5
74.02440	1.0
74.36264	0.3
81.03403	0.5
85.02911	1.5
87.06725	3.8
88.04005	1.7
97.02891	0.5
101.00927	0.4
102.05543	15.6
112.08739	1.8
113.07120	1.5
114.05527	0.5
115.08693	2.8
116.03454	1.0
116.07093	10.9
119.01918	2.1
131.01903	1.0
133.03482	0.6
133.09744	3.7
140.04500	0.3
143.05641	100.0
144.06036	0.7
145.03488	0.6
145.06049	1.4
148.06023	3.7
149.74721	0.4
155.01866	0.6
157.03479	0.8
158.09232	3.0
159.07645	2.3
161.02945	1.5
172.07153	1.8
173.02968	2.0
173.05554	0.7
174.61659	0.4
175.04582	0.6
184.94159	0.3
185.02975	1.0
190.08228	3.4
203.03952	1.7
215.05070	0.3
245.04962	0.4
260.12473	1.7
263.41644	0.4
287.13571	1.9
288.12057	0.5
305.07346	0.8
305.10968	1.9
305.14499	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29441	0.5
60.04526	4.1
60.05648	1.3
61.02943	0.6
69.03420	0.9
69.90235	2.7
70.01914	0.4
70.02960	0.7
70.06591	48.6
71.04999	1.6
72.08155	1.7
72.99169	0.4
74.02431	1.4
84.08160	0.6
85.02912	1.7
87.06709	4.4
87.94773	0.5
88.03973	2.8
98.03513	0.8
98.06040	0.5
101.00887	0.6
102.05543	20.3
109.02870	0.5
112.05034	0.5
112.08735	1.7
113.07133	1.3
113.53764	0.5
114.05527	0.6
115.08681	3.3
116.03445	0.9
116.07088	15.5
119.01952	1.6
125.99976	0.4
131.01895	1.4
133.03476	1.0
133.09738	3.8
143.05640	100.0
144.05954	0.7
145.06104	2.9
148.06026	4.1
155.01907	0.6
158.05656	0.5
158.09270	3.5
159.07652	2.6
161.02945	1.3
172.07173	2.5
173.02989	1.6
173.05702	0.6
175.04549	0.6
185.02933	1.3
186.09471	0.7
187.04402	0.7
190.08223	5.1
200.09195	1.0
203.03975	1.8
230.41786	0.5
245.05338	0.5
260.12433	2.4
287.13565	2.5
288.11908	0.8
305.10974	2.2
305.14487	21.5
306.14758	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	3.4
57.15429	1.7
60.04524	2.3
69.96350	7.8
70.06586	15.2
72.08139	5.4
79.05502	1.6
84.04506	4.8
84.08141	7.8
86.09698	3.1
91.05502	2.0
95.04917	1.9
98.21412	2.3
98.97589	3.1
99.04469	2.1
107.04947	24.2
108.05313	4.4
110.07182	5.0
116.98632	3.9
122.05919	1.6
129.10207	1.7
134.99632	2.1
143.05627	27.8
183.04997	4.4
190.24223	1.5
199.07635	2.5
200.05182	1.4
213.89125	1.7
223.02844	2.3
225.12151	1.5
305.06302	100.0
306.06760	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	305.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68995	0.5
51.76457	0.5
55.08394	0.5
56.89729	0.4
60.04523	2.3
60.05639	0.7
61.02901	0.8
70.06592	22.6
70.33553	1.6
71.04977	0.6
72.08134	1.0
74.02434	0.5
74.44248	0.5
85.02905	1.7
86.88124	0.5
86.88657	0.5
87.06723	3.6
88.03982	1.3
94.50727	0.5
97.02869	0.7
100.50945	0.5
102.05539	11.4
102.32450	0.5
112.08739	0.9
113.07145	0.7
114.05554	0.8
115.08686	2.1
116.03493	0.7
116.07092	8.4
119.01912	1.5
133.03487	0.9
133.09697	3.2
143.05641	100.0
145.06075	1.2
148.06044	2.3
155.01854	0.8
157.03477	0.5
158.09262	2.5
159.07640	2.2
161.02922	1.4
172.07195	1.0
173.02971	1.6
173.05609	0.6
174.55717	0.6
175.04573	0.7
186.09569	0.9
190.06767	0.5
190.08202	2.7
203.04059	0.9
260.12427	1.3
287.13785	1.2
305.10947	1.7
305.14487	13.2
305.18048	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1092
Annotation	Vicine
Peak:m/z	Relative Intensity
53.03934	0.1
55.01880	0.1
57.03431	0.2
57.40717	0.1
60.04516	0.4
60.05648	0.2
61.02921	0.4
69.03435	1.2
69.91346	0.3
69.91755	0.2
70.04081	0.1
70.06594	3.6
71.04988	0.3
72.08139	0.2
73.02914	0.1
73.04044	0.2
74.02416	0.1
81.03421	0.4
83.02469	0.2
84.04453	0.1
84.08153	0.1
85.02907	1.8
87.04476	0.1
87.06718	4.6
87.92174	0.1
88.03991	0.2
89.47389	0.1
91.03917	0.1
93.46871	0.1
93.88624	0.1
97.02892	0.6
98.03528	0.1
101.03518	0.1
101.74500	0.1
102.05544	1.3
109.02885	0.2
112.08695	0.1
113.04620	0.2
114.05485	0.1
115.06034	0.1
115.08672	0.3
116.03459	0.1
116.07105	0.9
119.01944	0.1
125.04601	0.3
126.02964	0.2
127.03918	0.3
133.09749	0.2
141.04109	0.4
142.04866	0.1
143.05643	100.0
144.06137	0.6
145.04970	0.1
145.06064	0.2
148.05957	0.4
158.09245	0.1
159.07681	0.2
161.03001	0.1
161.38127	0.1
172.07178	0.2
190.08258	0.4
233.64861	0.1
260.12463	0.2
305.10907	0.9
305.14490	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2632
Annotation	Fenpropimorph
Peak:m/z	Relative Intensity
53.42835	2.0
55.05494	6.0
55.13549	2.0
57.09290	2.4
59.15847	2.2
67.05500	13.4
69.07074	3.0
69.92776	9.0
69.93189	4.7
70.43575	2.1
79.05490	4.4
81.07050	12.0
85.05278	3.7
87.37431	2.1
89.59657	2.0
91.05457	2.7
93.07031	2.9
95.08601	7.0
98.06045	15.0
98.20689	2.3
109.10130	2.9
112.07616	2.4
130.80449	2.6
133.10033	2.9
156.55846	2.2
232.08426	2.5
272.12338	2.2
304.26321	100.0
305.26785	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	304.2633
Annotation	Fenpropimorph
Peak:m/z	Relative Intensity
51.99937	0.4
52.26073	0.4
53.03929	1.4
55.01854	1.7
55.05506	6.4
56.96555	1.4
57.03420	1.2
57.07087	0.8
60.04497	0.6
65.03933	1.0
67.05503	26.1
68.05849	0.5
69.03400	0.5
69.07069	5.5
69.42661	3.4
70.06580	0.9
71.08598	0.6
71.61079	0.5
72.04543	0.5
73.52496	0.5
79.05063	0.8
79.05492	11.3
80.04993	0.5
81.07054	21.4
82.06576	0.9
83.04981	0.5
83.08610	1.9
84.08130	0.7
85.05285	3.7
86.06042	1.7
91.05476	5.3
93.07042	11.0
95.04956	1.7
95.08603	14.8
96.08130	0.5
97.10159	1.2
98.06052	22.7
99.06860	0.7
100.07629	0.6
105.07026	3.7
107.08585	5.6
109.10149	4.9
110.09682	1.1
112.07621	2.8
117.07008	0.8
119.08570	1.7
120.08102	0.5
121.10174	4.2
123.11701	1.9
124.07596	1.5
124.11185	1.3
126.09119	0.7
131.08537	1.4
133.10133	1.2
135.07994	0.5
135.11678	2.3
137.13234	0.5
138.09132	1.4
140.10684	1.5
145.10045	0.8
147.11699	1.5
149.13242	1.3
152.10687	2.1
154.12262	1.4
159.11662	0.9
161.13261	0.9
163.14792	0.6
166.12245	0.8
168.13760	0.6
171.03291	0.8
173.13206	0.8
175.14793	0.6
182.15451	0.5
208.16898	0.9
210.18527	0.7
220.17105	0.5
222.18523	0.6
234.18602	0.5
244.39685	0.5
248.20039	1.1
281.10626	1.3
286.23734	0.5
287.23654	0.9
299.11670	1.3
304.26328	100.0
305.26773	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	304.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.8
53.98197	0.3
55.01861	1.7
55.05508	7.8
56.05015	0.4
57.03418	0.6
57.07055	1.1
65.03921	1.1
67.05499	23.4
69.03412	0.5
69.07063	7.7
69.49010	2.1
71.08616	0.4
72.04504	0.3
78.46325	0.3
79.05485	9.9
81.03365	0.3
81.07053	16.6
82.06555	0.5
83.04980	0.7
83.08624	2.1
84.04497	0.4
85.05274	4.2
85.06532	0.8
86.06056	1.5
88.07613	0.6
91.05471	5.7
93.06462	0.5
93.07035	7.8
95.04947	1.9
95.08604	10.7
96.08115	0.7
97.06541	0.4
97.10163	0.8
98.06048	21.4
99.06832	0.6
105.07018	3.5
107.04936	0.4
107.08585	4.5
108.08069	0.4
109.06496	0.9
109.09545	0.4
109.10153	3.7
110.09668	0.7
112.07598	2.6
115.19163	0.3
117.06990	1.5
119.08573	2.8
120.08896	0.4
121.10144	2.1
123.11699	1.0
124.07555	0.8
124.11204	0.5
125.09623	0.7
126.09127	0.8
128.06219	0.4
129.06967	0.9
131.08560	2.1
133.10129	1.6
135.08002	0.6
135.11668	0.9
138.09097	0.8
140.10703	1.1
143.08539	2.0
145.10112	2.1
146.39680	0.4
147.08022	0.5
147.11693	1.0
149.13239	0.6
152.10690	0.8
154.12254	1.2
157.10081	0.7
159.11652	0.7
161.09517	0.5
161.13202	0.6
166.12227	0.5
168.13809	0.6
171.11626	0.5
173.13240	0.4
180.13831	0.4
182.15385	0.5
194.15402	0.8
196.16919	0.9
208.16930	0.8
210.18526	0.4
220.02766	0.3
222.18501	1.1
234.18581	0.4
236.20016	0.7
237.16420	0.4
248.20169	0.7
256.26471	0.5
260.23608	0.7
272.19962	0.3
273.18542	0.4
286.18570	0.4
304.26303	100.0
305.21127	0.7
305.26605	2.8
327.59473	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2631
Annotation	Fenpropimorph
Peak:m/z	Relative Intensity
53.03926	0.8
53.98197	0.3
55.01861	1.7
55.05508	7.8
56.05015	0.4
57.03418	0.6
57.07055	1.1
65.03921	1.1
67.05499	23.4
69.03412	0.5
69.07063	7.7
69.49010	2.1
71.08616	0.4
72.04504	0.3
78.46325	0.3
79.05485	9.9
81.03365	0.3
81.07053	16.6
82.06555	0.5
83.04980	0.7
83.08624	2.1
84.04497	0.4
85.05274	4.2
85.06532	0.8
86.06056	1.5
88.07613	0.6
91.05471	5.7
93.06462	0.5
93.07035	7.8
95.04947	1.9
95.08604	10.7
96.08115	0.7
97.06541	0.4
97.10163	0.8
98.06048	21.4
99.06832	0.6
105.07018	3.5
107.04936	0.4
107.08585	4.5
108.08069	0.4
109.06496	0.9
109.09545	0.4
109.10153	3.7
110.09668	0.7
112.07598	2.6
115.19163	0.3
117.06990	1.5
119.08573	2.8
120.08896	0.4
121.10144	2.1
123.11699	1.0
124.07555	0.8
124.11204	0.5
125.09623	0.7
126.09127	0.8
128.06219	0.4
129.06967	0.9
131.08560	2.1
133.10129	1.6
135.08002	0.6
135.11668	0.9
138.09097	0.8
140.10703	1.1
143.08539	2.0
145.10112	2.1
146.39680	0.4
147.08022	0.5
147.11693	1.0
149.13239	0.6
152.10690	0.8
154.12254	1.2
157.10081	0.7
159.11652	0.7
161.09517	0.5
161.13202	0.6
166.12227	0.5
168.13809	0.6
171.11626	0.5
173.13240	0.4
180.13831	0.4
182.15385	0.5
194.15402	0.8
196.16919	0.9
208.16930	0.8
210.18526	0.4
220.02766	0.3
222.18501	1.1
234.18581	0.4
236.20016	0.7
237.16420	0.4
248.20169	0.7
256.26471	0.5
260.23608	0.7
272.19962	0.3
273.18542	0.4
286.18570	0.4
304.26303	100.0
305.21127	0.7
305.26605	2.8
327.59473	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.01862	1.2
55.05512	7.9
57.07084	0.6
57.23449	0.3
58.06587	0.3
60.08004	0.3
64.39558	0.3
65.03928	1.1
65.42970	0.3
67.05504	22.7
69.06724	0.5
69.07070	5.9
70.06560	0.4
70.11002	1.1
72.04529	0.4
79.05493	8.7
81.07057	16.7
83.08614	1.4
83.29139	0.3
84.08142	0.4
85.04813	0.4
85.05285	4.5
86.06061	1.6
90.21249	0.3
91.05481	4.3
93.07043	6.6
95.03654	0.3
95.04966	1.1
95.08608	10.5
96.08122	0.5
97.10164	0.5
98.06054	23.5
98.09696	0.5
98.20744	0.4
105.07041	1.7
107.08587	2.9
109.06498	0.6
109.10149	3.4
110.09674	0.4
112.07607	2.5
117.07021	0.6
119.07800	0.3
119.08556	1.7
121.10148	2.0
123.08067	0.3
123.11693	1.1
124.07613	0.9
124.11230	0.4
126.09133	0.9
131.08580	0.3
133.10147	0.6
135.11653	0.7
138.09149	1.0
140.10661	0.9
145.10081	0.7
147.11597	0.5
149.13315	0.6
152.10681	0.5
154.12282	1.5
159.11620	0.4
161.13354	0.5
166.12299	0.6
168.13846	0.5
180.13835	0.5
182.15363	0.7
196.17020	0.8
208.16960	1.3
210.18585	0.4
222.18452	1.3
234.18495	0.3
236.20158	0.9
248.20073	0.7
262.21634	0.3
304.26337	100.0
305.26730	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	304.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98629	0.3
53.03941	0.7
54.48076	0.3
55.01864	0.9
55.05509	6.8
57.07072	0.5
65.03922	1.0
67.05504	21.9
69.03415	0.4
69.07064	5.5
70.32832	0.7
70.33230	0.7
72.04501	0.5
78.25404	0.4
79.05490	8.1
81.07056	14.6
83.08626	1.8
85.05285	4.3
86.06057	1.0
91.05494	3.8
93.07041	6.7
95.04955	1.2
95.08604	10.2
95.09227	0.4
98.06050	18.5
99.06873	0.5
105.07022	1.4
107.08595	3.3
108.08170	0.3
109.10153	3.5
110.09665	0.4
112.07626	2.5
113.25991	0.3
117.06987	0.5
118.10643	0.4
119.08561	1.2
121.10128	1.3
123.11679	1.0
124.07592	0.6
124.11163	0.4
125.08356	0.4
126.09125	0.6
133.10071	1.0
135.11676	1.4
138.09126	1.2
140.10681	1.1
145.10120	0.6
147.11635	0.4
149.13255	0.6
152.10678	1.1
154.12256	0.8
166.12231	0.6
168.13779	0.9
173.13245	0.5
180.13840	0.7
182.15372	0.8
196.16969	0.9
208.16968	1.1
222.18469	1.1
236.20047	0.5
248.20097	0.4
304.26321	100.0
305.21426	0.5
305.26672	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	304.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30579	0.6
53.03955	0.7
55.05513	17.5
56.05034	2.9
56.96564	1.1
57.05808	1.5
58.06601	0.7
60.04525	0.7
65.03938	1.1
67.05502	1.5
69.03423	0.8
69.07073	1.1
70.06589	9.2
71.15738	0.9
71.16065	0.8
72.08156	100.0
73.08487	0.8
79.05492	1.0
81.07075	1.2
83.06082	1.1
84.04512	4.5
84.08132	7.5
85.02895	0.8
86.06070	1.7
86.09711	6.6
87.04438	0.6
87.05586	0.7
88.04016	0.8
89.88837	0.6
91.05484	13.2
93.07087	1.0
95.04953	0.8
95.06129	0.7
97.02898	0.8
98.09753	0.7
98.97585	1.2
99.09222	1.4
104.10775	1.7
107.04970	3.0
110.07165	3.5
114.05531	2.1
116.07116	1.0
117.05804	1.0
117.07066	0.9
118.06547	7.9
120.08110	5.2
127.08704	4.0
129.10229	4.1
130.05009	2.3
130.06516	8.2
131.08578	0.8
132.04506	0.9
132.08075	8.3
134.99680	0.8
136.07596	0.9
138.12888	0.6
142.06554	0.9
143.05644	4.0
143.07307	1.5
143.92415	0.6
144.08080	8.8
146.06006	30.9
158.06036	3.0
159.04500	0.7
159.09198	12.5
160.07616	0.9
170.05988	5.1
171.97174	0.6
175.08713	1.7
184.07434	2.3
185.09189	3.1
187.08717	1.0
188.07068	76.1
189.07396	0.7
201.10692	1.0
205.09729	46.2
206.10295	1.1
236.02480	0.7
259.14413	1.0
278.03336	1.1
286.14063	1.6
287.13834	3.5
304.05460	1.1
304.16541	5.0
305.11633	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78688	0.9
55.05490	1.2
56.05017	3.8
56.96539	3.0
57.03423	1.9
60.04509	1.6
66.05215	0.8
67.05484	2.3
68.05018	1.8
69.03403	3.1
69.07065	1.7
70.06587	12.2
70.13499	2.7
70.13917	1.6
71.06908	1.3
72.08142	3.1
72.93750	0.9
74.02421	1.7
74.06091	1.0
79.05474	2.9
79.67924	0.8
80.05006	2.1
81.03391	1.7
81.07048	1.8
82.06561	1.5
82.14768	0.9
83.04951	1.0
84.04488	2.6
84.08133	2.4
85.02892	2.9
85.06590	0.7
85.07670	1.2
86.06060	8.6
86.09698	9.5
87.04465	18.9
88.03997	1.2
91.05472	1.3
91.16226	0.8
93.07028	1.0
94.06550	2.2
95.04972	1.8
95.08588	1.7
96.04454	1.1
96.08129	4.2
97.02862	1.0
98.06049	14.4
100.03975	1.0
100.07565	1.0
102.05533	3.5
104.07117	1.5
107.04942	5.6
109.10146	1.0
110.06030	1.0
110.09728	1.2
111.04405	1.0
111.09240	0.8
112.07586	1.5
112.11249	1.2
114.05520	13.9
116.07074	3.9
116.98616	1.1
119.69872	0.9
120.06564	1.1
120.08081	1.8
121.06459	1.0
122.09640	3.6
123.04420	0.9
124.07582	27.4
126.05421	1.0
127.03955	0.9
128.07048	3.6
128.96321	1.0
129.06598	0.9
131.34787	0.8
134.99570	1.1
136.07561	1.3
136.11183	1.9
137.09613	1.7
137.12326	1.0
140.07022	1.5
141.10225	2.4
142.08607	6.8
143.05627	3.3
143.11765	5.3
146.08139	1.6
147.08043	1.1
148.07558	0.9
152.07066	0.9
152.10635	0.9
157.09717	1.2
165.09187	1.0
166.08653	1.8
170.08174	1.0
171.11295	1.6
173.02876	0.9
182.11769	1.7
185.09215	26.5
186.07675	1.3
186.09505	1.4
188.09146	1.0
198.14885	4.7
206.10204	7.1
208.13316	7.4
222.14885	3.6
240.13542	1.0
268.15515	3.0
286.13910	10.4
286.16644	3.5
304.17535	100.0
305.03079	1.4
305.12125	2.6
305.17917	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	304.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47998	1.1
55.01852	2.0
55.05500	4.0
56.96558	1.6
57.03506	1.5
64.23922	1.4
67.01846	7.7
67.05492	6.2
68.05826	1.4
69.07053	5.0
70.06583	5.6
70.07397	1.5
70.12627	6.4
72.08142	5.0
72.86586	1.4
77.78179	1.4
79.05496	2.9
81.07055	8.8
82.07377	2.3
83.08618	4.0
84.08135	4.3
84.08932	2.5
86.06067	1.8
89.22243	1.4
91.05486	3.9
92.05807	2.0
93.07022	5.7
95.04978	1.8
95.08606	9.6
96.08938	5.7
97.10152	3.1
98.06056	1.5
105.07034	3.0
107.04951	48.2
107.08580	5.2
108.05285	26.6
109.06558	1.9
109.10171	12.6
110.10480	9.1
114.05536	2.5
120.08073	3.2
121.06472	2.4
121.10123	8.1
122.06821	1.6
122.10468	6.5
123.11709	7.1
124.12039	7.2
135.04420	100.0
136.04749	77.2
136.12010	3.4
137.05954	5.1
138.06300	2.9
143.05638	13.3
149.06001	4.2
150.06242	3.1
153.05481	23.3
154.05797	15.2
158.10457	1.5
161.05898	2.0
162.06364	2.8
163.03906	86.2
164.04240	84.4
164.07794	2.9
165.04494	1.9
173.05954	4.2
174.06319	4.4
174.10023	1.9
175.07568	3.8
176.07898	5.6
177.05505	1.8
178.05873	2.3
178.69366	1.6
181.04948	40.6
182.05296	42.8
184.07323	4.3
185.09178	3.6
187.07462	5.1
188.07904	7.5
189.08890	1.6
201.09042	5.8
202.09448	8.6
206.05267	3.1
208.06972	1.8
215.06993	2.2
216.07373	7.0
216.10994	2.5
219.06555	3.1
220.06874	4.3
222.08348	2.2
230.08932	6.6
231.26886	1.5
233.08093	3.1
234.08423	8.8
248.09990	4.5
257.15308	2.3
258.15701	39.3
258.18433	2.1
284.72842	1.5
286.15192	23.1
286.18170	1.8
304.16150	13.8
304.19022	2.0
304.26544	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	304.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90577	4.3
56.05032	8.5
58.06601	7.7
59.25365	4.4
62.86636	5.8
70.06594	24.2
71.57076	7.5
74.06035	4.9
84.04501	6.1
84.08142	14.0
86.06066	19.6
93.47142	6.6
109.80222	4.7
114.05522	48.3
116.07096	6.3
128.07092	5.9
141.10226	5.9
142.03566	5.1
157.09744	5.9
175.11946	8.9
185.09201	100.0
196.10788	8.2
203.10243	7.7
214.96483	22.1
219.01968	11.6
256.97595	49.9
257.97809	8.2
286.13928	50.2
298.98529	35.4
299.98703	7.8
304.15900	15.3
308.29279	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	304.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55387	0.4
55.89058	0.5
56.05032	11.5
56.96544	2.0
57.03424	1.3
58.06598	5.5
61.02916	1.3
68.05022	3.2
69.03410	1.3
70.06588	17.2
70.48026	1.6
71.04978	0.6
72.08142	1.3
73.02905	2.7
74.02435	1.1
74.06055	1.4
81.03403	0.6
82.06564	1.6
84.04495	1.9
84.08125	1.9
85.02902	2.9
85.07652	4.2
86.06063	13.7
86.09691	2.3
87.04469	0.8
88.03992	1.2
96.08122	0.9
97.02879	1.1
97.07622	0.9
98.06003	0.8
98.09673	1.9
98.97578	2.9
100.03970	4.3
100.07607	0.7
101.07097	0.6
102.05537	8.3
107.04942	3.4
108.05296	0.9
110.01293	0.5
110.68302	0.6
111.09170	1.7
112.07572	0.5
113.07116	1.0
114.05521	49.5
116.07114	0.7
116.98620	1.0
119.01877	2.2
119.66979	0.5
124.07572	5.7
127.03886	0.6
127.08691	1.0
128.07033	3.3
128.98622	1.2
129.06573	5.4
130.04977	2.1
131.01839	0.6
134.73978	0.5
139.08623	1.9
140.07056	0.7
141.06592	1.2
141.10217	9.8
142.08633	6.8
143.01839	0.6
143.05629	5.2
145.09702	1.7
146.02235	0.8
146.99648	0.9
149.02783	0.5
151.08624	1.4
157.09718	5.2
159.11269	0.9
161.02908	1.9
162.03682	0.7
165.00642	0.6
168.06535	0.9
168.11284	3.2
173.02943	0.9
174.99168	1.1
177.00754	0.8
179.07239	0.5
184.04395	0.7
185.09203	100.0
186.07597	5.3
186.09184	0.9
189.00601	1.1
190.98618	0.6
191.03928	0.6
193.00131	1.4
196.10828	3.1
198.04599	2.4
198.08656	0.6
203.10213	3.7
207.01778	0.6
207.05209	2.3
207.55380	0.6
214.05957	1.5
214.11868	3.1
215.10303	1.6
218.60333	0.5
219.01868	0.6
222.12372	1.1
240.13373	4.6
258.14453	2.2
268.12952	2.2
286.13947	39.3
287.14166	0.6
304.14816	6.1
304.18042	0.5
305.14615	1.7
313.51379	0.5
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
55.01882	3.5
56.05035	18.9
56.96556	6.2
57.03432	5.2
58.06589	9.6
60.04517	6.1
60.05628	5.4
68.05021	8.9
69.03433	10.8
69.07064	4.3
70.06595	84.2
70.69681	7.6
70.70010	3.3
71.01337	4.3
72.08159	29.9
73.02927	3.9
74.02433	4.1
74.06065	7.0
75.05624	4.4
81.03416	5.1
82.06586	3.9
83.06097	10.9
84.04504	18.9
84.05613	6.4
84.08138	37.2
85.02915	13.1
85.04025	9.1
85.07663	7.6
86.06083	18.3
86.09711	36.4
88.03987	8.1
91.05476	4.0
93.04558	6.4
95.06122	3.7
97.02925	5.4
97.07693	4.1
98.03469	3.2
98.06048	5.1
99.06703	6.5
100.03967	4.3
100.05103	5.2
100.07645	4.7
102.05542	10.3
107.04958	51.5
107.88805	3.4
109.05114	11.2
110.03539	19.7
110.05981	4.6
110.07172	44.9
111.06797	7.7
111.07502	16.6
112.07600	6.5
112.08724	6.4
114.05533	55.3
114.06335	4.3
114.06702	4.6
115.08710	6.3
116.07122	9.0
116.98665	3.3
120.08094	4.3
121.05107	4.9
124.07616	5.1
126.07766	8.0
127.06175	24.1
128.04524	5.3
128.07085	4.8
129.06628	7.1
129.10265	20.2
130.05003	7.9
130.08652	6.8
136.06190	10.4
137.04564	8.1
138.07704	16.4
139.08589	9.0
140.06918	3.6
141.10262	13.9
142.08661	6.0
143.05656	47.6
143.11821	20.4
154.07254	9.1
155.05630	6.9
156.07622	4.4
157.09741	7.0
158.09232	3.5
171.11176	4.7
171.26999	3.3
172.08348	15.6
175.07115	3.5
175.10649	4.6
175.11934	14.8
185.09227	100.0
186.07629	4.7
196.10934	5.9
240.13522	5.0
259.10498	5.0
270.11948	9.4
271.12729	7.2
286.13998	38.0
304.12610	11.9
304.18576	4.9
304.22043	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	304.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05460	1.1
56.96500	37.1
56.96812	4.1
67.05429	2.0
69.07017	0.9
69.34843	5.0
70.04013	1.3
71.95257	2.3
72.95984	1.3
74.97551	2.2
79.05417	1.5
80.85486	0.4
81.06979	2.7
83.08567	0.7
84.95979	0.7
85.54249	0.5
88.07561	0.8
91.05428	1.0
92.02204	0.6
93.06958	1.5
95.04910	0.6
95.08524	1.7
96.08829	0.6
98.05988	1.0
105.00092	0.9
105.06943	0.8
107.08508	1.4
110.97555	0.7
118.94598	0.4
119.22188	0.4
121.10051	0.6
123.01107	2.2
125.01484	0.8
127.00562	0.6
128.98524	2.1
133.10054	0.7
135.07991	0.5
135.11665	0.5
137.02657	1.7
139.00673	2.4
141.02147	2.1
145.01657	0.7
146.99655	2.4
147.11603	0.5
151.00620	1.3
153.02243	4.6
155.03793	2.7
157.01730	5.2
159.03253	1.2
165.02130	0.9
167.03735	1.7
169.01753	4.4
171.03285	19.3
173.04781	2.1
175.02710	1.9
181.01607	0.8
181.05316	2.1
183.03197	1.9
185.04855	8.1
187.02803	3.3
187.06335	0.6
189.04337	7.9
191.05879	1.1
194.04785	0.8
195.03334	0.7
195.06778	0.6
197.04810	2.9
199.02658	0.6
199.06418	7.1
199.09381	0.5
201.04218	1.7
203.05896	12.0
207.06856	1.6
209.08469	1.3
211.06381	1.3
213.04257	0.9
213.07838	0.6
215.05774	2.5
217.05457	0.6
217.07426	8.1
219.10536	1.1
220.06369	0.6
221.06737	1.1
221.08510	1.6
223.06409	0.9
225.07973	4.6
226.07370	0.8
227.05869	0.5
227.09492	1.5
233.08507	1.2
235.10185	2.6
237.07921	2.1
239.05701	0.7
239.09474	1.4
241.07483	0.6
243.09013	1.6
245.08624	1.4
251.09532	5.3
253.11107	3.6
255.09058	0.9
263.09491	14.8
267.09445	0.6
269.10574	2.4
271.12088	0.9
281.10590	100.0
282.10913	4.1
299.11649	92.6
300.12073	3.8
304.05310	1.1
304.12186	12.5
304.15836	1.0
304.19766	1.0
304.22952	1.0
304.26346	3.8
305.12796	0.9
322.13361	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1954
Annotation	3-Methoxyestriol
Peak:m/z	Relative Intensity
55.05505	2.5
67.05493	6.0
69.07052	3.7
71.59661	4.3
79.05511	3.4
81.07047	11.0
90.24491	2.6
91.05480	7.1
93.07035	17.1
95.05012	3.2
95.08609	7.0
105.07052	14.8
107.08574	12.7
109.06492	2.7
109.10172	5.2
117.07053	4.4
119.04971	2.4
119.08598	6.5
121.02853	3.4
121.06508	7.2
121.10141	5.1
123.04438	2.5
123.11726	3.6
131.08566	8.8
131.27635	2.4
133.06514	5.7
133.10178	3.2
135.04399	2.7
135.08049	7.2
137.02344	8.2
145.06575	4.5
145.10153	14.6
147.08067	3.4
147.11653	2.8
149.05962	3.0
149.09584	12.6
151.11166	4.0
153.01831	10.9
159.08060	6.8
159.11745	3.7
161.05981	2.9
161.09630	2.5
163.11168	5.2
165.01956	3.3
173.09639	19.4
175.11246	3.1
177.09113	31.1
187.11206	2.9
191.10651	17.4
193.10254	2.8
195.10205	5.4
201.05534	4.1
209.11673	20.9
225.16386	3.5
229.05025	10.6
239.18073	4.0
245.15489	2.6
257.04456	4.9
267.17520	9.2
279.68564	2.5
285.18451	18.7
303.04974	91.8
303.19556	100.0
304.05197	8.3
304.19910	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	303.1953
Annotation	Epimestrol
Peak:m/z	Relative Intensity
53.03940	1.2
55.01861	1.9
55.05502	3.8
56.96560	2.7
57.03436	1.5
65.03939	1.6
67.05508	7.5
69.03420	1.5
69.07061	2.2
69.41753	6.8
77.03957	0.9
79.05486	6.9
81.07058	12.0
83.08606	2.7
85.02900	1.0
86.06041	0.9
86.68499	0.8
91.05484	9.8
93.07044	16.5
95.04962	2.4
95.08604	7.7
97.06525	1.5
98.06052	2.1
105.07029	11.6
107.04973	2.7
107.08596	12.2
109.06514	2.3
109.10152	5.4
112.04888	0.8
117.07008	5.0
119.08582	7.5
120.74718	0.9
121.02789	1.2
121.06493	5.0
121.10158	7.1
123.08099	2.3
123.11717	2.2
128.06207	0.8
129.06973	2.1
130.07765	1.5
131.04912	1.1
131.08553	7.0
133.06497	7.5
133.10123	4.1
135.04419	2.0
135.08052	8.8
135.11681	2.4
141.06909	0.8
143.08566	4.6
145.06540	2.4
145.10117	13.2
147.08046	2.9
147.11693	3.0
149.06015	2.6
149.09634	10.7
151.11119	4.3
153.01839	1.6
153.05409	2.1
153.09111	1.5
155.08539	1.3
157.10120	3.7
159.08066	6.7
159.11711	2.9
161.09660	3.0
163.11188	6.1
169.10164	1.9
171.08018	1.1
171.11681	1.8
173.09628	25.2
173.13287	0.9
175.07613	1.4
175.11151	2.6
177.09108	29.0
178.09399	1.2
179.08578	1.0
181.10130	1.3
183.11711	2.8
185.09616	2.4
185.13176	1.6
187.07690	1.2
187.11183	1.6
189.09084	1.4
189.12683	1.0
191.10661	18.6
193.08513	1.0
193.10184	1.1
193.12247	1.4
195.10168	5.8
197.13298	1.7
199.11183	2.0
199.14764	0.9
201.12825	1.2
203.10718	1.4
209.09776	1.4
209.11711	18.4
209.13354	1.3
211.11351	1.5
211.24655	0.8
215.10635	3.2
215.14215	1.3
217.12175	1.4
219.11497	0.9
219.13690	1.0
221.13260	1.1
225.12726	1.6
225.16347	2.2
227.14354	3.1
229.04945	1.4
229.12265	1.7
231.13757	1.1
235.16911	1.4
239.17889	4.5
243.13834	2.7
243.17528	2.9
245.15404	2.4
257.18948	4.7
261.18445	1.3
267.17447	7.4
271.16827	1.4
281.10568	2.9
285.18475	21.3
286.18829	1.0
299.11682	2.1
303.05038	11.0
303.19550	100.0
304.19778	5.4
304.26398	7.7
314.17853	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1952
Annotation	CHEBI:85575
Peak:m/z	Relative Intensity
55.01845	1.9
55.05494	3.6
56.96560	2.5
58.93706	1.1
67.05499	7.0
68.05886	1.0
69.03436	1.2
69.07056	3.0
70.06598	1.5
71.59032	1.4
71.59429	1.4
79.05495	10.3
81.07060	12.5
83.08619	2.6
91.05479	12.4
93.07038	18.9
95.05019	1.9
95.08611	6.9
97.06531	1.9
97.25067	1.1
100.60506	1.2
105.07028	16.2
107.04945	5.4
107.08589	13.8
109.06494	1.2
109.10136	4.4
115.05460	1.5
117.07029	6.8
119.04897	1.2
119.08583	10.7
121.02881	1.5
121.06509	5.2
121.10146	5.6
123.04434	1.3
123.08128	2.1
123.11718	3.2
128.07437	0.9
128.55675	1.0
129.07004	2.6
130.07767	1.7
131.08585	10.9
133.06512	8.9
133.10127	4.6
134.33240	1.1
135.04395	2.1
135.08034	8.6
135.11668	2.5
137.02301	1.5
137.06024	1.3
141.06982	2.4
142.07759	1.5
143.08551	3.8
145.06467	2.1
145.10112	14.7
147.08041	7.6
147.11707	3.0
149.05949	2.0
149.09598	10.6
151.11168	3.1
153.01869	2.8
153.05466	2.6
155.08548	3.6
157.10132	2.7
159.08078	6.5
159.11708	3.4
161.06004	2.0
161.09576	3.5
163.11229	4.5
167.08591	1.1
169.10118	3.0
171.08028	1.3
173.09633	25.3
173.13208	1.6
175.07501	1.3
175.11188	3.3
177.09097	30.9
183.11719	3.7
185.09593	3.0
185.13277	1.9
189.09036	2.1
191.10646	18.1
193.12234	1.3
194.83621	1.3
195.10173	5.5
197.13283	1.9
199.15002	1.6
201.12735	2.0
203.10687	1.9
207.11662	1.3
209.11714	19.5
215.10667	3.7
215.18111	1.2
225.12572	1.4
225.16364	3.8
227.14380	3.7
229.04956	2.1
229.12279	1.3
233.15248	1.4
239.18019	4.4
242.24469	1.1
243.13831	2.3
243.17542	3.2
245.15390	2.1
257.18912	2.1
261.18579	1.2
267.17450	6.1
268.17676	1.2
285.18500	25.6
302.56924	1.2
302.87033	1.3
303.04980	18.4
303.19559	100.0
303.22760	4.7
303.25220	4.9
304.05621	1.4
304.19867	4.6
304.28479	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	303.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.4
55.01859	0.7
55.05497	1.8
65.03951	0.6
67.01864	2.0
67.05488	1.8
68.99766	2.2
69.03414	0.7
69.07066	1.9
69.70491	2.5
71.04991	0.5
79.05481	1.0
81.03417	1.0
81.07049	2.2
81.91396	0.4
83.08606	1.7
85.00761	0.4
86.09727	0.6
87.00816	0.4
87.09992	0.4
91.05476	6.5
93.03429	0.6
93.07031	1.2
93.73223	0.4
95.04977	0.9
95.08597	2.7
97.10170	1.0
98.06039	0.8
103.05440	0.9
104.52035	0.4
105.03401	0.4
105.07014	1.1
107.04950	14.0
107.08590	1.1
109.02881	1.8
109.10152	4.3
111.00826	1.3
115.05442	1.0
117.07000	1.3
119.04919	0.8
119.08582	0.7
121.02843	2.8
121.06515	0.6
121.10154	2.7
123.04424	0.9
123.08045	0.6
123.11714	3.2
127.03925	0.8
128.06227	3.4
129.07002	3.5
131.04909	0.9
131.08635	0.8
133.06485	0.6
133.10170	0.5
135.04410	36.6
137.02335	7.2
137.03339	0.4
137.05966	1.6
141.07004	1.1
143.08537	3.0
145.06516	2.2
146.06058	0.7
147.04405	0.6
149.02414	0.7
149.05940	1.6
153.01817	9.5
153.02968	0.8
153.05463	5.0
153.06956	1.8
155.04886	1.6
155.08572	0.5
157.06497	1.1
159.04410	0.6
159.08000	0.7
161.05986	2.6
163.03899	32.4
163.07556	1.0
165.01822	4.5
166.02576	0.6
169.06467	0.9
169.14090	0.5
171.08046	3.3
173.05975	3.7
175.07526	3.2
177.05418	1.5
181.04970	16.0
181.06474	2.7
183.02919	1.1
183.04436	0.8
183.08118	0.5
187.03925	1.1
187.07536	3.3
189.05490	0.9
189.09123	1.1
191.03479	0.5
195.15800	0.7
197.06000	1.2
199.07542	4.7
201.05489	5.2
201.09142	3.5
203.07008	1.1
205.04991	0.9
207.06499	0.6
212.16467	1.0
213.16818	3.1
215.03438	0.5
215.07092	2.0
217.08638	1.2
219.06519	2.7
221.08043	0.9
228.04224	0.8
229.04980	8.9
229.08588	1.7
230.05203	0.7
233.08144	2.2
243.06496	0.8
247.06068	1.1
247.09680	1.8
257.04449	5.4
257.12665	0.8
257.15347	12.3
258.16992	0.7
259.17368	5.2
271.10892	0.5
274.04666	1.1
285.03970	2.7
285.07239	0.4
285.12177	0.8
285.14911	6.7
299.37732	0.4
303.04980	100.0
303.15985	4.4
304.05402	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	303.1589
Annotation	3,3'-Dihydroxyhexestrol
Peak:m/z	Relative Intensity
55.05493	2.5
56.41186	0.5
56.96542	0.8
65.03921	0.6
65.72530	0.6
67.05495	3.2
69.03423	0.8
69.07043	1.6
71.60190	0.6
79.05481	3.2
81.07053	4.3
83.04960	0.7
83.08613	1.1
84.04490	0.6
85.02915	0.6
86.09695	0.7
91.05470	9.0
92.05797	1.2
93.07039	4.1
94.50964	0.6
95.04971	3.9
95.06052	0.7
95.08606	6.2
97.06498	1.0
98.97552	0.5
103.05444	0.8
103.91290	0.5
105.07018	3.8
107.04942	3.8
107.08591	3.9
109.06522	1.1
109.10140	1.2
115.05446	1.4
117.06992	2.0
119.01926	1.0
119.08551	4.2
121.06490	19.8
121.10126	1.5
123.04391	0.7
123.08071	5.5
128.06166	1.6
129.07005	3.0
131.04932	0.7
131.08560	3.0
133.06421	1.5
133.10114	1.7
134.03735	0.6
135.04398	4.7
135.08031	5.0
137.05959	3.4
143.08543	2.3
144.05687	0.7
145.06427	1.7
145.10124	1.2
146.07219	1.1
147.08055	1.7
147.11743	0.6
149.05968	17.1
149.07106	1.2
149.09602	1.1
151.07527	20.6
155.08531	1.9
156.09280	0.7
157.06494	1.2
157.10081	1.0
158.07248	1.7
158.97601	1.8
159.08058	2.4
159.97937	1.1
160.97295	3.0
161.05919	3.8
161.09589	2.6
163.03931	4.7
163.07552	5.3
163.11137	0.6
165.09108	0.9
167.07050	2.1
169.10153	2.1
171.07956	1.8
171.11589	0.8
173.05946	1.0
173.09608	3.9
173.13216	0.6
174.06758	3.2
175.07515	13.9
175.11110	0.9
176.08322	1.4
177.05476	1.6
177.09102	5.7
179.08525	1.1
181.04945	2.1
181.10118	0.7
183.08118	0.8
183.11578	0.6
184.08875	0.8
185.09605	5.3
186.10495	1.0
187.07558	2.3
187.11150	2.2
188.08365	1.7
189.09088	33.7
190.09813	0.9
191.06985	0.9
191.10660	8.3
192.09335	0.9
195.08101	1.2
196.08818	0.9
197.09612	3.4
197.13219	1.1
198.07071	1.0
198.08932	0.7
199.11208	1.2
201.09096	7.6
201.12741	2.3
202.09892	1.3
203.07040	1.0
203.10655	1.9
205.08572	1.2
207.11649	1.6
209.09566	1.3
210.10332	1.1
211.07742	0.5
211.11227	5.0
213.09134	0.8
213.12779	1.8
214.09805	1.3
215.07016	0.6
215.10597	3.7
215.14243	1.0
217.12238	4.4
221.08055	2.2
224.11993	1.2
225.12761	1.6
227.10669	1.0
228.11528	1.2
229.08719	1.3
229.12209	22.6
229.15863	1.4
231.13728	1.2
235.09540	5.1
239.14308	2.8
241.15868	1.7
242.13124	1.2
243.11319	0.7
247.09616	2.6
257.15344	22.7
259.13226	4.8
267.13770	2.5
275.12769	6.7
275.16351	1.6
285.12299	1.3
285.14899	6.7
303.04889	5.6
303.15897	100.0
304.16290	2.7
304.19449	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02415	0.4
51.55180	0.3
53.03935	0.7
54.84509	0.3
55.01866	0.4
55.05510	3.1
56.96569	0.7
57.07080	0.8
61.59039	0.4
67.01856	5.5
67.02184	0.5
67.05502	4.0
68.99786	0.4
69.03432	0.8
69.07060	4.1
71.04973	0.5
71.59959	0.5
72.08151	1.0
79.05495	3.2
81.03436	0.9
81.07056	5.7
83.04991	0.7
83.08614	2.4
85.02892	0.5
91.05480	2.2
93.07047	4.6
95.04964	1.5
95.06100	1.1
95.08597	8.5
97.10210	0.7
98.97611	0.6
100.28111	0.4
103.05481	0.5
105.03403	0.4
105.07027	3.4
107.04952	42.6
107.08585	4.0
108.05286	1.5
108.08121	0.5
109.06513	2.0
109.10153	11.0
110.07100	0.3
114.09777	0.4
115.05452	0.5
116.98624	0.5
117.07011	0.6
119.04892	0.6
119.08562	1.6
121.06512	2.9
121.09313	0.5
121.10143	8.7
122.06007	0.7
122.10950	0.4
123.04423	0.5
123.08074	0.7
123.11705	9.1
129.07027	0.5
131.08530	0.9
133.06480	1.3
133.10121	1.5
135.04410	100.0
135.11671	2.3
136.04718	0.7
137.02335	0.6
137.05974	5.8
143.08534	0.6
145.06467	1.1
145.10103	1.2
147.04414	1.3
147.08083	0.5
147.11647	0.6
149.05986	4.2
151.07552	0.5
152.14333	0.6
153.01848	0.9
153.05461	22.3
153.14714	0.5
155.08615	0.6
157.10103	0.6
158.07214	0.6
159.08026	1.6
161.05992	2.7
163.03900	95.4
163.07491	2.3
163.64085	0.4
164.04189	1.5
165.05547	0.6
167.07037	0.4
169.10046	0.4
171.08043	0.7
173.05969	4.3
173.09586	1.0
175.07541	4.5
177.05428	2.7
177.09071	1.5
181.04950	45.9
182.05283	1.2
183.08055	0.5
185.09526	0.7
187.07547	5.7
187.11086	0.6
188.08339	0.4
189.05432	1.5
189.09059	1.7
191.07039	0.7
193.04881	0.6
195.06572	1.0
197.09569	0.5
197.13200	0.4
197.17453	0.4
201.05405	1.7
201.09068	6.1
203.07083	1.1
204.06570	0.5
205.04955	1.7
207.06508	1.2
212.10730	0.4
215.07054	4.1
215.10591	1.2
217.08560	0.8
219.06508	5.2
221.08040	1.4
224.33932	0.4
227.10544	0.7
229.04958	0.6
229.08539	4.2
229.13358	0.9
233.08051	5.0
239.14272	0.5
242.12978	0.7
243.11493	3.1
247.09636	2.8
257.12778	3.2
257.15320	22.5
258.15576	0.7
281.61676	0.4
285.12225	1.7
285.14896	14.3
286.15146	0.5
303.04974	7.5
303.13116	1.7
303.16055	7.3
303.21271	0.8
304.19226	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64056	1.9
53.03926	1.9
55.05499	8.6
56.05025	2.5
56.96558	3.4
57.03432	4.2
60.08146	1.7
62.99487	1.4
65.03911	2.8
67.01842	5.2
67.05494	12.1
68.99772	2.8
69.03427	2.8
69.07072	9.9
70.04065	6.8
70.06593	13.1
71.04996	2.6
72.08131	5.9
79.05499	9.9
80.21809	1.8
81.03408	4.9
81.04514	1.8
81.07052	13.5
83.04964	3.5
83.08609	5.5
84.08130	11.0
86.09695	9.6
91.05479	13.1
93.07044	10.2
95.04945	6.2
95.08597	9.6
97.10168	1.9
98.20798	1.6
103.05466	2.4
104.10722	3.6
105.07008	8.3
107.04948	36.8
107.08573	5.1
109.06497	3.5
109.10171	11.5
110.07139	5.4
111.00774	1.9
111.04437	1.8
117.06991	2.9
119.04852	1.7
119.08566	4.2
120.08048	3.8
121.02879	2.7
121.06480	4.4
121.10117	9.2
123.11703	7.3
125.00002	2.0
129.06969	3.4
129.10272	4.1
131.08522	5.2
133.06477	2.6
133.10115	3.5
135.04408	76.0
135.11684	3.2
137.02316	5.9
137.05942	5.3
145.06500	3.6
145.10089	2.3
146.05974	2.5
147.04427	2.1
147.07986	3.1
147.11606	2.2
149.05951	4.6
149.09642	2.8
152.00314	1.6
153.01834	10.3
153.05426	20.3
155.04968	2.3
157.10034	2.4
159.08037	2.1
161.05954	7.2
163.03896	80.9
163.07503	2.8
165.01823	3.9
173.06004	8.0
173.09621	4.5
175.07487	8.7
177.05453	5.2
181.04938	34.0
183.04396	3.7
184.07365	7.1
187.03911	2.6
187.07512	11.2
189.05423	3.1
189.09099	6.4
193.12210	2.6
199.18233	1.8
201.05447	5.2
201.09061	9.4
207.06444	2.3
215.06992	7.1
219.06491	6.3
221.08002	2.7
229.04927	9.9
229.08572	3.9
233.08096	7.6
235.09798	2.1
242.11694	2.2
247.09726	3.1
257.04422	6.2
257.12714	3.5
257.15338	35.8
285.12189	2.3
285.14841	12.3
285.17813	2.8
303.04984	100.0
303.15884	7.4
303.18384	6.6
304.05255	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.4
55.01857	1.2
55.05512	4.8
56.96566	12.7
57.03423	0.9
57.07050	0.8
67.01865	4.4
67.05496	5.9
69.03419	2.4
69.07065	8.0
71.04978	0.7
71.59460	0.6
71.59872	1.0
71.74091	0.9
72.08115	1.5
72.93793	1.8
79.05488	5.9
81.03406	2.2
81.07056	8.2
83.04984	1.4
83.08618	4.0
84.96038	3.7
85.02876	1.7
90.94838	0.9
91.05484	5.5
93.03380	0.8
93.07043	9.0
94.06569	0.8
95.04951	4.3
95.06065	1.4
95.08607	10.8
97.02866	0.9
97.06562	1.3
97.10179	1.4
98.97582	14.7
102.97019	0.7
105.07019	6.2
107.04953	38.9
107.08588	7.0
108.05317	1.2
109.06509	2.6
109.10145	11.5
110.10482	0.8
110.97558	2.4
112.08673	0.8
115.05449	1.2
116.98613	11.8
117.07006	1.9
119.04930	1.4
119.08572	3.1
120.04435	0.7
120.08138	1.0
121.06489	3.7
121.10133	12.9
122.06026	0.7
123.08096	1.8
123.11709	10.3
128.98616	5.7
129.07019	1.3
130.06541	0.9
131.00142	0.8
131.08566	2.2
132.95842	2.4
133.06509	2.5
133.10124	1.9
134.99651	10.0
135.04411	100.0
135.08002	4.4
135.11693	2.6
136.04730	1.3
137.02295	1.5
137.05975	6.1
137.09631	0.8
141.06961	0.9
143.00191	1.5
143.08530	1.8
145.06491	2.3
145.10136	2.3
145.98914	0.7
146.99655	6.9
147.04420	0.9
147.08046	2.2
147.11688	1.0
149.01273	1.0
149.05998	5.7
149.09610	2.0
150.96844	2.5
151.07520	1.9
152.98596	1.1
153.00697	1.3
153.01883	1.9
153.05460	21.6
153.06734	1.2
157.06494	1.0
157.10146	1.0
158.06044	1.1
158.07256	1.1
158.97624	8.8
158.99654	3.0
159.04393	1.0
159.08057	2.3
159.97966	3.4
160.97333	13.8
161.01149	3.9
161.05945	4.7
161.09605	1.0
162.05453	1.8
162.96910	1.1
162.99200	1.5
163.03902	86.8
163.07552	4.4
164.04344	1.5
164.06947	0.8
165.00691	0.9
165.07018	1.2
167.07101	1.0
167.10744	3.4
169.10124	1.8
170.99684	4.2
171.08022	1.8
173.05975	7.0
173.09627	2.4
175.07545	6.5
176.07195	0.8
176.98479	1.8
177.00713	4.5
177.05583	4.5
177.09129	1.6
181.04956	46.5
183.08127	1.5
185.09537	1.0
187.07564	8.6
189.00743	1.9
189.05504	1.5
189.09106	3.1
191.06960	1.0
195.06461	1.1
198.96849	1.5
201.00618	1.3
201.05534	1.4
201.09166	8.1
203.07118	1.8
205.05003	2.3
207.06570	1.2
211.07431	1.0
215.07086	5.6
215.10655	1.5
216.98044	1.0
219.01790	3.6
219.06506	7.5
219.42569	0.9
221.08051	2.7
228.09021	1.7
229.04919	1.1
229.08539	5.2
229.15996	1.1
230.11777	1.1
233.08089	7.0
234.99022	2.8
235.09665	0.9
237.02827	10.3
239.14301	0.9
242.13005	1.1
243.11479	4.2
247.09793	4.3
255.04010	1.1
257.04233	1.0
257.12888	1.8
257.15332	36.4
258.11264	12.6
258.15738	1.0
260.04477	1.0
271.09625	1.1
285.12161	2.4
285.14886	16.3
285.18375	1.7
303.00458	1.4
303.04993	13.2
303.10785	1.7
303.15967	12.1
303.19641	3.7
303.23129	1.5
303.99811	4.7
321.12234	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	303.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.5
55.01849	0.3
55.05489	0.8
56.96545	0.4
58.09265	0.2
65.03923	1.0
67.05492	2.0
69.03400	0.5
69.98270	0.4
69.98676	1.1
70.06564	0.3
72.08152	0.6
79.05473	0.6
81.03378	0.3
81.07027	0.7
82.02937	0.3
83.04951	1.1
84.08163	0.4
91.05458	1.1
92.04977	1.2
93.03422	0.3
93.05784	0.4
93.07018	1.2
94.06567	1.8
95.04962	1.7
95.06075	0.4
95.08575	0.5
96.08115	0.6
98.97585	0.4
100.78342	0.2
103.05474	0.3
105.07008	0.8
107.04941	2.0
107.08589	0.3
108.05301	0.4
108.08090	1.1
109.10113	0.3
111.22915	0.3
115.05388	0.3
116.98580	0.3
117.06976	0.4
119.08517	0.4
120.04463	2.0
120.08082	0.3
121.06443	0.6
121.10107	0.3
122.06004	3.2
123.06815	0.4
124.07566	1.0
128.06200	0.3
129.06995	0.6
130.06476	0.3
131.19919	0.2
133.10095	0.3
134.05952	0.3
136.07567	2.1
137.02348	0.5
138.05478	0.6
138.09125	3.0
141.06984	0.6
143.08560	0.6
144.08063	0.7
145.07590	0.4
145.08817	0.5
145.10007	0.4
146.05959	0.4
146.09668	0.5
148.03909	1.2
152.14308	0.5
153.01848	0.3
153.14655	0.9
156.08081	0.5
157.08855	0.5
157.10141	0.4
158.09647	0.7
159.09218	0.3
160.07564	0.6
161.05832	0.3
161.07103	0.3
162.09094	0.4
163.03888	0.3
163.08684	0.5
164.07063	3.3
165.07016	0.3
166.05009	0.7
168.08089	0.4
169.08841	0.7
169.10204	0.4
170.09578	0.5
171.09132	0.6
171.10417	0.9
171.11671	0.4
172.07550	0.5
172.09908	0.4
172.11246	0.7
173.07074	2.4
173.08336	0.6
173.10751	0.5
174.07797	0.4
174.09122	1.0
175.08595	0.8
175.09921	0.4
176.10660	0.4
181.08809	0.4
184.07532	0.7
184.11224	1.8
185.07024	0.5
185.10802	0.6
186.09140	1.0
186.11351	1.7
186.12930	1.2
187.08629	2.0
187.12292	0.4
188.10725	0.6
189.10196	1.8
190.08617	0.4
191.11790	0.6
196.17041	0.4
197.08369	1.1
197.17311	0.3
198.09105	0.7
199.08377	1.3
200.09274	1.9
200.10995	0.4
201.06648	0.5
201.10284	1.9
201.13863	7.9
202.08691	0.5
202.12357	1.3
202.13873	0.3
212.10709	5.5
213.06543	1.1
213.10184	0.7
214.08690	0.4
214.10872	1.9
214.12321	2.1
215.11739	1.1
216.10164	0.9
216.12354	0.6
227.08130	1.7
227.11824	0.5
228.08803	2.2
229.10008	2.9
229.13336	35.7
230.11737	2.5
230.13690	0.9
239.11775	1.0
240.10356	1.4
241.09721	1.3
241.13489	0.3
242.10297	2.4
243.11154	1.0
244.09605	0.4
255.11279	1.4
257.12820	100.0
258.11050	8.0
258.13315	1.8
259.14383	4.2
275.13989	1.4
285.12341	9.3
286.10687	1.7
303.05032	3.6
303.13358	23.3
303.21182	0.9
304.11652	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	303.065
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	55.4
59.06108	1.3
61.83482	1.2
66.37357	1.1
69.29169	13.7
70.06585	1.9
72.08163	1.5
72.93784	1.4
74.97627	2.7
82.06540	1.4
83.97668	1.2
84.04507	1.3
84.08138	3.9
91.05405	1.5
98.20696	2.7
98.97581	8.2
107.04938	2.5
116.98617	9.0
130.06511	3.6
132.08096	6.5
134.05962	1.2
134.99652	12.2
144.10149	2.2
146.06038	3.3
153.00710	2.2
156.08066	2.4
157.07643	1.5
158.08333	2.3
159.09181	3.0
162.05392	1.4
166.05002	1.9
169.07669	3.8
171.09129	2.7
174.02261	9.7
181.07535	1.5
183.09161	3.2
185.07072	2.0
187.08665	1.4
188.03766	1.7
192.03310	62.9
192.05074	3.1
195.09094	1.3
197.07169	1.6
199.08699	2.2
204.03276	2.0
206.04855	16.6
207.01996	2.6
208.02901	2.0
210.04367	16.9
214.09737	2.4
215.04889	19.7
217.06474	14.7
218.97426	1.6
220.02812	3.7
222.04370	5.5
224.05916	6.6
229.02754	1.7
233.05966	22.4
234.04329	2.2
235.07555	15.9
236.02289	1.7
238.03900	3.0
240.05348	2.1
240.11211	1.5
243.04399	5.8
247.03967	4.3
249.05434	2.0
257.13821	1.5
258.04291	2.7
261.05466	100.0
265.04901	1.3
268.10931	1.6
276.05438	2.4
279.06494	93.6
280.07004	2.0
284.06973	6.3
286.08554	1.4
286.11826	2.9
302.08142	1.7
303.06345	2.2
303.14325	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	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06695	0.2
55.01860	0.5
56.96552	0.5
57.03425	0.3
65.03930	0.7
67.01856	0.4
67.05492	0.5
68.99775	2.1
69.03414	0.5
70.06561	0.6
72.08157	0.2
79.05505	0.2
81.03405	1.1
81.07050	0.4
84.04482	0.6
84.08159	0.2
85.02883	0.3
86.09686	0.6
88.11212	0.3
88.68897	0.2
91.05470	0.6
93.03393	0.6
93.06997	0.4
95.04952	1.0
98.97556	0.3
100.61642	0.2
103.05482	0.3
105.03342	0.3
105.07020	0.4
107.01309	0.2
107.04948	1.4
107.87912	0.2
109.02866	1.6
111.00785	1.9
111.04493	0.2
115.05460	0.4
116.98589	0.2
117.07006	0.5
119.08544	0.2
120.08079	0.5
121.02859	2.4
121.06499	0.2
123.04411	0.6
127.03905	0.5
128.06186	0.2
129.06987	0.4
130.04977	0.3
131.04913	0.8
133.06474	0.4
134.99736	0.3
135.04402	0.9
137.02327	8.0
137.03362	0.4
145.06450	0.7
149.02325	1.0
149.05902	0.3
153.01813	10.1
154.12234	0.4
155.04909	1.3
157.06485	0.3
159.04337	0.3
161.05943	0.7
163.03876	1.6
165.01822	4.1
166.02586	0.7
173.05977	1.7
177.00560	0.3
177.05417	0.3
179.03346	0.4
183.02869	1.9
183.04449	1.0
187.03886	1.1
191.03270	0.3
195.02859	0.6
201.03711	0.4
201.05466	4.6
205.04979	0.6
213.05522	0.4
215.03409	0.2
219.06505	0.3
228.04166	0.5
229.04938	10.6
229.25009	0.3
230.05405	0.3
233.04295	0.2
234.98965	0.7
239.03529	0.3
243.11243	0.5
247.05992	1.6
257.04416	5.8
257.14954	0.2
257.19211	0.3
258.05026	0.3
267.11365	0.4
274.04776	1.4
285.03894	2.5
285.12277	0.7
286.81396	0.2
303.04962	100.0
304.05307	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	303.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29384	0.1
53.03940	0.1
53.74610	0.1
55.01855	0.4
65.03936	0.6
66.59543	0.1
67.01852	0.4
67.05505	0.3
68.21881	0.1
68.99783	2.6
69.03426	0.1
69.84665	0.2
69.85089	0.5
71.01328	0.2
71.04994	0.1
80.70798	0.1
81.03392	0.7
89.66761	0.1
91.05441	0.2
93.03387	0.8
95.04956	0.9
97.02860	0.1
103.05466	0.2
105.03365	0.3
106.63113	0.1
107.04926	0.3
109.02874	1.3
110.03686	0.1
111.00796	2.1
111.04426	0.2
115.05436	0.3
117.07002	0.4
119.01218	0.1
119.04952	0.2
121.02855	2.5
123.04407	0.6
127.03885	0.5
129.07016	0.1
131.04919	0.5
133.02818	0.2
133.06471	0.2
135.04425	0.6
137.02332	8.3
137.03397	0.5
143.04958	0.1
145.02798	0.2
145.06435	0.8
147.04396	0.1
149.02357	0.9
151.03938	0.1
153.01816	11.2
154.02141	0.2
155.04912	1.3
155.06041	0.2
157.06494	0.3
159.04362	0.3
161.05954	0.7
163.03909	1.6
165.01833	4.2
166.02596	0.6
171.02907	0.2
173.02361	0.1
173.05986	1.8
177.01836	0.3
177.05428	0.2
179.03442	0.5
179.04773	0.1
183.02858	1.6
183.04431	1.1
187.03893	1.1
191.03352	0.5
191.06941	0.2
195.02892	0.4
200.04678	0.2
201.05452	5.0
205.04935	0.5
207.02814	0.2
211.03911	0.5
213.05428	0.2
215.03430	0.2
217.05063	0.2
219.02956	0.2
219.06563	0.8
228.04121	0.7
229.04936	10.1
230.05321	0.4
232.03529	0.2
239.03404	0.3
245.04506	0.3
247.06068	1.1
257.01736	0.3
257.04434	5.4
258.05188	0.2
267.11218	0.3
274.04724	1.4
275.05341	0.4
285.03931	2.6
285.12305	0.5
286.04645	0.2
296.27594	0.1
303.04959	100.0
304.05301	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	303.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.2
55.01854	0.4
65.03934	0.7
67.01856	0.5
67.05493	0.3
68.99477	0.1
68.99780	2.9
69.03419	0.3
69.33343	0.5
69.33773	0.5
81.03405	0.9
91.05460	0.2
93.03410	0.6
95.04969	1.1
97.02901	0.2
103.05470	0.2
105.03384	0.3
105.06998	0.2
107.01333	0.1
107.04916	0.3
109.02877	1.3
110.03651	0.2
111.00793	2.4
111.04412	0.2
112.21045	0.1
115.05381	0.2
117.07012	0.4
121.02862	2.5
123.04430	0.8
126.03116	0.1
127.03926	0.7
127.05445	0.1
128.06207	0.1
129.07022	0.3
130.53949	0.1
131.04932	0.4
133.02841	0.1
133.06493	0.2
135.04393	0.7
137.02332	8.7
138.02657	0.2
145.02847	0.3
145.06456	0.9
146.05971	0.3
147.04330	0.1
149.02361	1.1
150.03098	0.1
151.03870	0.1
153.01813	12.1
154.02115	0.3
155.04919	1.4
157.06538	0.2
159.04395	0.2
161.05968	0.8
163.03891	1.6
163.34073	0.1
165.01823	4.3
166.02654	0.7
167.03378	0.1
171.02904	0.1
173.05963	1.7
175.03778	0.1
177.01704	0.2
177.05484	0.4
179.03357	0.6
183.02872	2.0
183.04413	1.2
185.06023	0.2
187.03900	1.2
191.03371	0.3
191.06985	0.2
193.05077	0.1
195.02863	0.7
200.04742	0.1
201.05458	5.9
202.05843	0.3
203.03395	0.1
205.04910	0.5
207.02910	0.2
211.03938	0.4
213.05447	0.5
215.03354	0.2
217.04948	0.2
219.02867	0.4
219.06490	0.7
228.04158	0.7
229.04942	11.6
230.05293	0.3
231.02675	0.1
232.03651	0.2
233.04596	0.2
239.03485	0.5
243.02960	0.1
245.04440	0.3
246.05260	0.2
247.06015	1.6
257.04410	6.1
258.04929	0.3
259.14569	0.1
274.04721	1.6
275.05438	0.5
285.03915	2.9
286.04587	0.2
290.16287	0.1
303.04959	100.0
304.05316	4.4
304.07977	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	303.0496
Annotation	Quercetin
Peak:m/z	Relative Intensity
50.55423	0.1
53.03945	0.2
53.20969	0.1
55.01864	0.6
60.17129	0.1
62.67688	0.1
65.03951	0.7
67.01868	0.5
67.05494	0.4
68.99432	0.2
68.99787	3.4
69.03419	0.2
69.51414	0.4
69.51838	0.5
71.01345	0.2
81.03425	0.9
86.09692	0.3
87.10014	0.2
91.05483	0.2
93.03401	0.7
95.04958	1.1
97.02887	0.2
98.42315	0.1
103.05445	0.2
105.03375	0.4
105.07048	0.2
107.04948	0.3
109.02866	1.8
110.03668	0.2
111.00800	2.3
111.04472	0.2
115.05436	0.2
117.07018	0.6
121.02866	2.7
123.04425	1.0
126.03127	0.2
127.03906	0.7
129.06953	0.2
131.04909	0.7
133.02835	0.2
133.06490	0.2
135.04384	0.7
137.02332	9.8
137.03369	0.5
138.02620	0.2
143.04909	0.1
145.02832	0.3
145.06467	1.2
146.05974	0.2
149.02306	0.9
149.05928	0.1
151.03853	0.2
153.01817	14.5
154.02158	0.3
155.04884	1.6
155.06017	0.2
157.06519	0.2
159.04408	0.4
161.06003	1.0
163.03903	1.9
165.01830	4.7
166.02670	0.6
171.02946	0.2
173.05975	2.0
177.01823	0.2
177.05450	0.4
179.03416	0.5
183.02879	2.0
183.04440	1.2
184.05182	0.2
185.05934	0.2
187.03903	1.4
191.03378	0.5
191.07001	0.3
194.02086	0.2
195.02835	0.6
200.04712	0.2
201.05467	5.9
203.03328	0.1
205.04994	0.6
207.02849	0.3
209.17780	0.1
211.03931	0.5
213.05504	0.3
215.03415	0.3
217.04871	0.2
219.02901	0.3
219.06566	0.6
228.04126	1.0
229.04938	12.5
230.05280	0.4
232.03679	0.3
233.04379	0.2
239.03413	0.5
245.04437	0.2
246.05220	0.2
247.06015	1.5
257.04422	6.7
258.04877	0.3
261.04083	0.1
267.02866	0.2
274.04745	1.8
274.74371	0.1
275.05325	0.5
285.03912	2.7
286.04587	0.1
303.04962	100.0
304.05301	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.3
53.67123	0.2
54.70740	0.1
55.01865	0.4
55.05497	0.7
56.05031	0.3
57.44072	0.1
58.06592	0.3
65.03923	0.7
67.01856	1.3
67.05483	1.1
68.99783	2.7
69.03422	0.5
69.07047	0.5
70.06572	0.2
71.04693	0.3
79.05479	0.5
81.03397	0.8
81.07048	1.0
83.08627	0.4
84.04486	0.8
84.08144	0.2
86.09696	0.5
87.10049	0.1
88.11245	0.6
91.05475	1.5
92.05768	0.2
93.03373	0.8
93.07024	0.6
95.04941	0.8
95.08589	0.9
97.02882	0.2
97.10133	0.3
98.06049	1.0
98.97572	0.2
103.05481	0.3
104.17349	0.1
104.65025	0.1
105.03398	0.3
105.07014	0.5
107.04942	4.8
107.08578	0.7
109.02874	1.1
109.06467	0.2
109.10143	1.6
111.00787	1.9
111.04427	0.3
115.05432	0.5
116.98594	0.3
117.06999	0.5
119.04939	0.3
121.02862	2.1
121.06529	0.2
121.10124	0.9
123.04408	0.8
123.11733	0.9
127.03850	0.8
128.06198	0.6
129.06995	0.7
130.04985	0.5
131.04892	0.5
131.08563	0.2
133.02881	0.2
133.06497	0.5
133.10127	0.3
135.04404	11.1
135.11707	0.3
137.02332	8.3
137.03340	0.4
137.05962	0.7
139.05385	0.1
141.07033	0.2
142.08626	0.2
143.08545	0.6
145.06499	1.1
145.10110	0.2
146.05994	0.2
147.04361	0.2
149.02333	1.0
149.05939	0.6
153.01817	10.2
153.05453	2.2
153.06816	0.3
154.02133	0.3
154.12257	1.2
155.04915	1.2
157.06468	0.4
159.04381	0.3
159.08028	0.4
161.05984	1.3
163.03896	11.9
164.96922	0.2
165.01831	4.3
166.02600	0.7
167.06952	0.1
168.13811	0.3
169.06354	0.2
169.14153	0.4
171.02887	0.2
171.08028	0.5
173.05957	2.2
173.09656	0.2
175.07588	0.9
177.00609	0.2
177.01993	0.3
177.05473	0.5
179.03397	0.4
181.04951	4.8
181.06418	0.4
183.02861	1.5
183.04424	1.3
185.09584	0.2
187.03877	1.1
187.07480	1.1
189.05441	0.4
189.09094	0.3
191.03436	0.4
191.06973	0.3
193.05109	0.2
194.99564	0.4
195.02875	0.4
195.15712	0.4
197.05939	0.3
199.07509	0.7
201.05464	4.4
201.09070	1.3
203.07062	0.3
204.04311	0.2
205.04929	0.6
207.02870	0.4
207.06403	0.2
211.04010	0.3
212.16440	0.5
213.00433	0.2
213.05518	0.3
213.16776	2.1
215.07005	0.7
217.04932	0.3
217.08591	0.3
218.01131	0.4
219.06485	1.2
221.08101	0.3
228.04176	0.5
229.04944	9.7
229.08600	0.6
230.05431	0.3
232.03685	0.2
233.08029	0.8
234.98994	0.3
239.03497	0.2
245.04445	0.2
247.06050	1.1
247.09750	0.4
257.04456	5.4
257.15302	3.5
258.04831	0.3
258.16995	0.6
259.17331	3.7
274.04739	1.3
275.05377	0.4
285.03946	2.8
285.12180	0.3
285.14841	1.9
303.04968	100.0
304.05292	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	1.3
70.06584	1.1
71.57424	0.7
84.08130	1.6
98.97554	1.8
101.00889	0.8
106.19072	0.5
113.01468	0.5
116.98611	3.5
119.01923	8.9
120.02083	0.9
134.99673	4.0
137.02939	5.5
138.03044	0.8
139.00876	0.4
140.98763	0.6
141.54237	0.5
142.03502	1.1
143.00922	0.5
153.00763	1.7
158.99884	1.5
160.04555	0.9
175.11961	0.7
177.00952	31.4
178.01057	2.3
179.00746	1.9
182.99959	2.1
195.01950	1.0
200.02629	0.8
201.00899	3.3
216.98645	0.7
217.04114	1.7
218.03598	2.5
219.02008	100.0
220.02098	3.2
221.01785	4.2
223.01587	1.0
225.00896	1.2
232.96758	0.7
235.00000	1.2
238.95628	2.1
242.03596	4.2
243.02074	1.9
244.02017	0.8
246.23582	0.5
256.96606	18.7
257.96774	1.6
258.96387	0.6
258.99969	2.2
261.03049	47.7
262.03220	14.8
263.02902	2.3
272.94589	1.0
274.94513	0.5
274.97699	10.6
276.45670	0.5
277.01041	2.6
279.98303	5.5
283.00018	0.6
284.04712	1.9
289.45660	0.5
289.86838	0.5
290.95441	0.9
292.95404	0.6
297.96344	1.1
297.99243	2.8
298.94501	0.8
298.97708	10.3
301.01001	1.8
302.01102	0.7
303.05499	2.6
303.21347	0.8
309.96234	2.4
310.46185	0.6
314.95831	1.1
315.95935	1.0
318.96741	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	302.9983
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	1.9
60.05637	1.0
60.73850	0.6
61.02912	0.8
70.06597	5.1
71.57361	1.1
84.04527	0.8
84.08133	5.8
85.02914	0.9
93.17385	0.6
96.42554	0.6
97.90786	0.7
98.97581	2.6
101.00853	1.2
112.08694	1.0
116.00159	0.6
116.07131	1.1
116.98628	3.0
119.01921	8.7
120.02088	1.0
130.08650	0.6
130.09747	0.9
131.01866	1.0
132.05215	0.7
134.99666	3.8
137.02968	4.7
142.03438	1.6
148.15468	0.7
153.00859	1.7
158.97231	0.8
158.99849	0.9
171.35283	0.7
175.11909	2.6
176.98531	1.1
177.00964	27.4
178.01074	2.0
179.00693	1.6
182.99843	1.9
195.97301	0.8
200.98303	1.8
201.00885	4.3
204.98030	0.8
206.97318	1.2
207.98846	0.9
211.00008	0.8
214.96535	20.2
218.03679	2.4
219.02010	100.0
220.02084	3.4
221.01830	3.9
222.01831	1.0
223.01550	1.0
225.00876	1.0
232.96710	0.8
237.68619	0.8
238.95633	1.6
242.03665	3.8
242.99506	1.4
243.02060	2.3
248.98233	0.8
256.97574	54.6
257.96729	1.0
258.97491	0.9
260.97067	1.3
261.03055	38.9
262.03195	13.8
263.02887	2.2
269.98917	2.2
274.94794	1.1
274.97681	9.2
277.00977	1.7
279.98392	8.9
280.97397	1.5
284.04617	1.5
285.04865	0.8
287.30640	0.8
292.95645	0.9
296.92462	1.1
297.99417	3.3
298.98538	30.2
300.96127	0.8
302.97656	1.2
303.05322	3.2
303.21381	3.6
309.96204	1.6
314.96451	1.6
315.96506	0.7
316.00244	0.8
318.96408	0.8
321.99994	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	302.2477
Annotation	(E,E,E)-N-(2-Methylproyl)hexadeca-2,6,8-trien-10-ynamide
Peak:m/z	Relative Intensity
51.58065	0.6
53.03932	2.2
55.01852	1.7
55.05508	6.7
55.89969	0.6
56.05024	1.0
56.96568	1.4
57.07070	2.1
63.57984	0.6
65.03934	1.1
67.05170	1.1
67.05505	15.3
69.07074	5.7
70.04045	1.1
70.06573	0.9
70.94910	1.5
72.04509	2.3
74.06049	0.8
79.05064	1.2
79.05495	18.6
79.73180	0.7
81.07058	13.5
82.06586	1.1
83.04969	1.1
83.08611	1.9
84.08147	0.7
85.05291	4.9
86.06059	1.7
87.85146	0.9
91.05479	20.9
93.06480	1.1
93.07045	20.6
95.04941	4.3
95.08614	9.3
96.08118	1.1
98.06057	24.3
99.06825	0.7
105.07032	13.0
105.79884	0.8
107.08599	10.3
108.08132	0.7
109.06527	0.8
109.10148	3.0
110.09701	2.1
111.46969	0.6
112.07571	2.1
117.06998	3.4
119.08577	10.1
121.10123	5.4
123.11720	1.0
124.07595	2.6
124.11225	2.8
125.08405	1.0
126.09127	1.9
129.06989	1.0
131.08554	3.5
133.06491	2.2
133.10107	7.7
135.11668	4.2
135.19757	0.6
138.09155	5.1
140.10689	2.2
145.10121	2.7
147.08087	0.9
147.11684	4.8
149.13277	2.1
152.10698	5.2
154.12259	1.6
157.10094	1.2
159.11702	2.4
161.13261	2.6
162.58156	0.6
166.12233	2.8
168.13860	1.3
171.11653	0.7
173.09698	1.1
173.13290	2.0
175.14827	1.5
179.60918	0.7
180.13771	0.9
187.14885	1.1
194.15408	1.2
198.98470	0.8
199.14786	1.3
208.16960	1.1
215.17966	1.2
217.19566	6.3
221.23064	0.8
222.18622	1.5
230.53697	0.7
232.16911	0.7
234.18507	0.9
241.19511	1.5
259.20493	0.8
271.08435	0.7
274.21606	1.2
285.21921	0.9
296.97467	0.9
302.18259	4.5
302.24780	100.0
303.04968	2.1
303.19501	1.5
303.25134	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66605	1.4
55.05510	7.9
56.05022	5.1
57.03414	1.7
58.06591	1.3
59.69674	1.3
59.78623	1.2
60.04506	2.9
67.05500	5.2
68.05019	1.8
69.07056	4.0
69.27053	8.9
69.27479	5.0
70.06590	23.6
72.04498	2.9
72.08156	100.0
74.06081	2.9
79.05483	4.7
80.05003	3.0
81.03415	12.7
81.07051	4.4
82.06615	1.9
83.04984	1.9
83.08600	3.9
84.04491	6.2
84.08136	17.5
86.09705	55.8
91.05471	4.7
93.07047	4.5
94.06582	1.5
95.04964	6.8
95.06091	1.7
95.08614	2.4
97.06499	1.7
98.20713	2.5
100.07664	1.5
103.75959	1.3
104.10736	1.5
105.07046	2.9
106.44954	1.4
107.04984	7.1
107.08626	1.7
108.05299	2.5
108.08057	1.2
109.05463	1.8
110.07150	5.7
111.08102	1.6
112.11210	1.3
112.33493	1.3
116.98650	1.4
118.08608	1.7
119.08568	3.1
120.08092	4.6
121.06463	2.4
121.10095	1.8
124.07587	2.9
124.99971	2.0
129.06970	1.6
129.10258	7.9
130.06535	2.8
130.08603	2.3
131.08551	1.2
132.10202	6.1
136.06186	4.2
136.07574	1.2
137.02348	2.1
143.11787	53.8
147.11623	1.7
149.09613	2.2
153.01830	2.8
157.06259	1.3
157.10159	2.3
157.13368	15.1
163.03940	1.8
166.12286	2.4
170.06058	1.7
171.11295	19.7
175.11267	1.6
182.15392	5.4
184.07288	2.6
185.12868	2.7
192.13867	1.4
193.12259	14.0
203.13857	1.6
210.14873	12.9
211.13390	1.9
213.10130	1.3
228.15884	1.9
229.05040	2.7
231.17079	3.8
242.41667	1.6
257.04419	1.5
258.16934	2.9
266.17456	1.3
267.15991	6.6
284.18613	2.7
285.17050	3.9
298.07169	1.6
302.14618	2.4
302.19537	12.9
303.04987	24.5
303.14209	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	302.2074
Annotation	H-LEU-LEU-GLY-OH
Peak:m/z	Relative Intensity
55.01885	0.6
55.05516	1.1
56.05053	0.5
56.96276	0.5
56.96563	1.9
57.03423	0.7
57.51765	0.5
58.06567	0.8
59.09346	0.6
60.08167	0.7
67.05496	1.6
68.04993	0.6
69.07067	7.8
70.06594	4.6
70.83609	0.7
70.83952	1.7
72.08151	2.4
74.26482	0.5
75.05608	11.4
79.05515	1.4
81.07045	1.5
84.04507	2.6
84.08136	3.5
85.02896	0.8
86.09708	100.0
87.10038	1.4
91.05482	1.3
93.07060	1.2
95.04980	0.6
95.08642	0.9
98.06065	2.2
98.97588	1.0
98.98450	0.7
104.10747	2.3
105.07048	1.9
107.04967	3.4
107.08624	0.9
107.28561	0.7
109.10149	1.0
110.07170	0.9
110.57918	0.6
110.86424	0.6
116.98632	0.8
120.08125	1.1
121.02898	0.7
121.10168	0.8
124.40563	0.6
129.07053	0.9
129.10159	0.7
132.10205	8.5
133.06493	1.0
134.99652	0.7
135.04384	4.7
136.06177	3.4
143.11801	72.0
144.12169	1.2
153.05524	1.4
155.06862	0.7
157.08472	1.4
158.09697	2.2
159.10020	2.8
163.03880	4.6
168.08115	1.4
168.13885	0.7
169.08466	3.0
171.11305	13.2
181.05003	2.1
184.07365	2.7
189.12399	2.1
202.07823	0.7
215.08876	1.0
220.13216	1.5
226.72258	0.7
228.66298	0.6
238.14433	1.0
238.18134	0.7
239.14304	0.6
240.04021	0.7
257.15472	1.5
258.17105	1.4
265.85034	0.7
271.08722	0.8
302.11655	1.0
302.16336	0.9
303.04892	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	302.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70606	0.4
53.69391	0.4
53.81902	0.4
55.05523	1.1
56.05035	1.1
56.96568	0.9
57.03423	0.4
58.06586	0.5
60.04522	1.2
60.08168	0.5
67.05508	1.3
69.03419	0.8
69.07071	9.8
70.06593	11.3
72.08151	4.2
75.05594	0.7
76.02249	0.5
79.05496	1.0
81.07068	1.4
84.04510	2.6
84.08145	4.9
85.02927	0.6
86.09707	100.0
87.10042	1.1
88.03978	0.6
90.05552	1.2
91.05483	1.1
92.05829	0.5
93.07034	0.9
95.08608	0.8
102.09200	0.5
103.05445	0.5
104.10773	2.7
105.07043	0.8
107.04974	4.3
108.05380	0.5
110.07162	1.5
110.09685	0.8
112.08733	0.9
116.07063	0.8
116.98615	0.9
120.08128	2.8
121.02899	1.2
121.06545	0.6
126.83646	0.5
129.09415	0.5
129.10272	2.0
130.08626	0.6
132.10213	7.1
135.04456	0.6
136.06218	1.1
137.02325	0.8
140.07224	0.4
143.11797	10.9
147.04388	0.9
153.01834	0.5
159.09200	0.6
163.03847	0.6
171.11302	7.5
173.66061	0.5
184.07327	3.1
189.12349	7.6
202.36604	0.4
234.99049	0.8
239.14723	0.6
302.20511	0.6
303.05014	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	302.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
55.05504	1.5
55.93534	0.6
56.05033	1.0
65.03925	1.6
67.05500	1.9
68.99782	2.5
69.03429	0.6
69.07055	1.1
70.06584	2.3
70.68882	1.3
70.69224	0.6
71.04988	0.8
72.08156	1.0
72.93765	1.1
79.05476	1.4
81.03418	1.6
81.07054	2.3
83.04960	0.9
84.04486	1.7
84.08138	1.5
85.02889	0.7
86.09699	100.0
87.00804	0.6
87.10023	0.9
90.94840	0.8
91.05472	6.5
93.03397	0.7
93.07046	1.7
95.04965	0.6
95.08602	1.2
97.02879	0.7
98.09630	0.6
99.98524	0.5
103.05452	1.2
105.07001	0.7
107.04952	4.8
108.08879	0.6
109.02841	1.6
109.10165	0.9
111.00816	1.2
117.07031	1.1
118.06540	0.8
120.08114	0.8
121.02858	1.1
121.10101	0.8
123.04444	1.2
127.03862	0.8
128.06171	2.9
129.07025	3.2
132.10193	9.1
132.95831	1.9
133.06528	0.9
135.04382	1.0
137.02315	4.9
141.06970	1.5
143.08658	2.9
143.11784	68.4
144.07843	0.6
144.10187	0.9
144.12158	0.8
144.95811	1.0
145.06476	1.1
146.06004	1.3
150.96863	1.5
153.01823	7.5
153.06985	2.1
155.04898	0.9
155.06029	0.7
156.13795	1.4
162.96913	1.4
163.03912	1.1
164.11423	0.6
165.01866	2.1
166.04944	0.8
168.13821	1.6
169.06532	1.0
171.08098	2.5
171.11279	16.9
173.05940	1.2
174.14909	1.3
174.96906	2.0
181.06429	3.6
183.02951	1.0
188.07100	0.7
194.15422	1.6
197.06018	1.4
199.07544	5.5
201.05507	2.5
212.16425	5.1
217.05028	0.8
217.08630	1.5
218.05301	1.5
218.96057	0.5
228.04247	1.0
229.04959	6.9
238.18028	0.8
240.16171	0.6
243.06477	0.7
245.04689	0.7
246.04872	1.2
247.06042	1.3
256.19052	1.4
257.04440	3.5
258.16986	10.2
274.04523	4.0
285.04001	1.4
286.16528	0.9
301.03302	0.6
302.03958	5.5
302.19675	1.0
303.04977	64.1
303.19348	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
55.05507	3.3
56.04780	0.6
56.05031	8.0
56.96560	1.2
57.03421	1.0
57.07045	0.5
58.06594	6.3
65.03939	0.6
67.05501	9.1
68.05014	0.5
68.99777	2.3
69.03429	1.3
69.07066	4.1
70.02933	0.5
70.06583	3.6
70.89120	1.1
71.04974	1.6
72.04504	0.6
72.08138	1.4
72.93783	0.8
73.02937	0.5
74.06068	0.7
75.05582	1.9
79.05483	3.0
80.05015	0.7
81.03384	1.5
81.07050	9.9
82.06572	1.8
83.04964	0.7
83.08596	1.0
84.04504	3.3
84.08132	5.0
85.02895	0.7
85.06534	1.3
86.09701	19.4
87.00823	0.5
88.03990	0.7
88.11253	3.0
90.05540	1.7
91.05476	5.3
93.03381	0.7
93.06540	0.4
93.07043	2.9
93.71196	0.5
94.06550	0.8
95.04959	1.7
95.08598	2.6
96.08116	2.0
97.02883	0.5
97.06554	0.5
98.06040	8.3
98.09682	2.9
98.97585	0.9
102.05493	0.6
105.07011	3.1
107.04950	8.5
107.08054	0.4
107.08601	4.2
108.05243	0.6
109.02891	1.2
109.06512	0.8
109.10142	6.8
110.06033	0.8
110.09637	1.1
111.00786	1.6
113.05978	0.5
115.05479	0.6
116.07056	0.7
116.98615	1.1
117.03312	0.5
117.06974	0.6
119.04955	1.2
119.08543	0.7
120.08125	0.6
121.02837	2.5
121.06522	0.7
121.10110	1.6
122.09655	0.5
123.04377	0.7
123.11707	2.7
124.62534	0.4
127.03941	0.7
128.06175	0.5
128.07053	0.8
129.06935	0.6
130.04990	1.5
131.04912	1.0
131.08536	0.9
132.10152	1.5
133.06400	0.6
133.10110	3.6
134.99626	0.8
135.04391	8.6
135.11717	0.6
137.02342	8.1
137.03386	0.7
137.05980	0.9
143.11783	13.3
144.10170	0.6
145.06485	1.0
147.04439	0.9
149.02367	0.6
149.09608	0.9
150.96869	0.5
151.11151	1.2
153.00557	0.5
153.01817	11.4
153.05455	1.0
154.12253	4.0
155.04875	1.0
158.95374	0.4
158.97473	0.5
161.05980	0.8
163.03905	6.3
165.01819	3.8
166.02559	0.6
166.15938	1.3
166.99976	0.8
168.13826	14.8
171.11247	3.9
171.14961	0.8
173.05984	2.1
175.07570	0.8
180.13776	1.2
181.04955	2.9
181.06265	0.5
183.02861	1.2
183.04323	1.0
187.03889	0.6
187.07452	0.7
187.13300	1.8
189.12325	0.6
194.15385	12.9
194.99495	1.6
195.02942	0.6
198.14877	1.9
199.14398	0.8
200.12740	0.5
201.05447	5.6
201.08998	0.6
207.06462	0.6
210.14886	0.6
211.04109	0.5
212.16441	64.3
213.16682	1.5
217.08531	0.4
218.01114	1.4
220.13255	0.4
222.14838	0.6
228.04243	0.8
229.04962	10.0
233.08031	0.6
234.98839	0.7
237.02626	0.6
238.14404	0.8
238.18074	1.5
239.03482	0.5
240.15915	3.1
247.05960	1.0
247.09648	0.5
256.19095	3.0
257.04425	5.4
257.15271	2.7
258.16995	96.5
259.17273	3.7
264.46960	0.5
267.11139	0.6
274.04633	1.9
279.01407	1.1
279.06589	0.5
284.18600	0.8
285.03925	1.9
285.12344	1.8
285.15005	0.9
291.83124	0.5
302.03955	1.8
302.19403	3.0
303.04968	100.0
303.15833	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1501
Annotation	H-Pro-Trp-OH
Peak:m/z	Relative Intensity
50.35815	0.9
55.01867	2.7
55.05507	2.1
56.05036	1.8
56.96558	3.2
57.19010	1.1
60.04524	1.6
67.05491	3.9
69.03453	1.5
69.07071	2.5
69.65342	2.6
69.65759	4.7
70.06592	58.4
71.05014	1.2
72.08156	9.6
74.06065	1.3
76.47531	0.9
79.05496	1.8
81.03418	3.7
81.07040	1.8
84.04496	8.8
84.08144	13.8
85.04019	1.2
86.09702	16.0
88.03969	1.4
91.05479	3.3
93.07041	1.9
95.04961	1.5
95.08547	1.2
98.06076	1.7
98.21482	1.9
98.97560	2.4
102.05534	1.5
104.10719	2.8
105.07037	2.4
107.04955	3.6
109.10159	1.2
110.07172	5.7
110.09663	1.1
112.08732	1.0
114.05531	23.4
115.05468	4.2
116.07096	22.3
116.07709	0.5
116.07919	1.0
116.98665	1.5
117.05749	3.8
118.06556	1.4
119.08603	1.1
120.08072	5.0
125.07137	6.3
128.98572	1.3
129.10254	7.1
130.04994	3.6
130.06516	22.5
132.08092	55.9
134.99713	1.6
136.06207	3.2
136.07561	1.6
142.06497	6.3
144.08083	16.0
149.10756	2.7
159.09180	100.0
160.07587	7.0
160.09573	1.3
170.06007	27.2
171.07646	5.9
172.07600	4.7
184.07324	3.1
185.16399	1.1
188.06996	1.1
222.06483	1.7
256.09631	1.5
257.12796	5.2
266.17673	2.2
285.12323	39.1
302.11957	1.5
302.15060	4.8
303.05023	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	6.7
56.05020	2.1
56.96560	6.1
58.06595	100.0
60.04547	1.5
67.05489	2.8
68.30963	1.4
69.03426	3.0
69.07091	2.0
70.06596	7.7
71.59023	1.7
71.59398	1.6
72.08128	4.4
72.93774	1.6
81.03406	2.2
83.04984	5.9
84.08134	12.4
85.02908	2.5
86.09702	4.0
87.04417	1.7
88.67099	1.5
91.05477	1.7
93.03403	2.6
95.04964	4.8
97.02893	3.1
97.06506	1.5
101.06013	9.0
107.04948	75.7
110.07179	3.5
111.04434	4.5
116.07019	1.7
116.98623	2.5
121.02805	1.9
122.07050	1.5
123.04417	8.2
128.10707	3.3
129.10172	1.6
134.99580	2.0
139.03935	4.6
144.10207	5.5
145.10983	14.3
146.11745	56.6
147.04337	3.1
156.07643	3.1
178.07167	2.2
196.08214	6.7
203.05331	3.7
206.64989	1.8
220.10263	2.4
228.56215	1.5
252.15910	44.8
260.09845	2.5
284.14984	6.0
302.12589	1.5
302.15948	42.8
302.19385	2.8
303.10391	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	302.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21588	1.3
53.03940	2.1
55.01859	2.1
55.05507	1.4
56.96564	2.0
57.03425	3.0
60.04518	2.0
61.02922	4.2
61.16344	1.4
65.03935	2.3
67.05158	2.4
67.05498	24.2
68.05040	1.4
69.03424	13.4
69.07059	18.6
70.06577	11.7
71.04987	1.9
71.58614	1.3
71.59112	1.7
72.08144	4.9
72.93760	2.1
73.02916	2.0
74.06066	1.4
81.03409	5.8
84.04498	2.3
84.08141	9.0
85.02894	38.0
86.06056	3.4
86.09699	6.9
87.04448	3.3
90.52481	1.5
91.05490	2.0
94.06580	2.4
95.04957	35.0
95.06039	1.5
96.38143	1.4
97.02884	31.6
98.06052	2.4
98.97581	2.3
99.04456	2.2
103.03931	3.5
107.04942	100.0
108.05293	3.0
109.02863	5.8
112.07593	22.3
113.05986	2.9
114.05535	1.9
116.98620	1.5
124.07611	2.4
125.02338	4.9
126.53398	1.4
127.03862	6.6
129.10214	2.9
132.06587	2.0
133.05019	1.4
136.07571	2.6
138.09143	1.3
140.07042	67.7
145.04855	1.9
147.11263	2.6
150.09093	1.5
154.08604	4.9
176.40060	1.4
178.07130	13.8
178.08537	2.4
182.08101	45.9
196.08144	43.4
196.09621	2.4
206.08118	11.7
218.97487	2.9
236.98468	2.7
248.09163	4.9
258.16980	3.2
278.91541	1.4
302.12668	11.3
302.15802	2.5
302.19296	2.5
303.05414	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1386
Annotation	(-)-N-Methylhigenamine N-oxide
Peak:m/z	Relative Intensity
53.03942	0.5
55.01868	0.5
55.05503	0.4
55.93521	0.4
56.96553	0.3
57.03427	0.4
58.97849	0.2
67.05499	1.0
68.05071	0.3
68.64973	0.3
69.03389	0.3
69.07067	1.6
70.06583	1.0
71.59438	0.4
72.08148	0.6
72.93800	0.7
79.05483	1.8
81.03429	0.7
81.07047	0.6
82.06550	0.3
83.05002	0.3
84.04539	0.3
84.08134	0.6
85.02909	0.4
86.09703	13.6
87.04466	0.4
90.05550	49.1
90.94772	0.5
91.05481	1.2
93.07038	0.4
95.04971	1.4
95.08603	0.5
97.02847	0.3
98.06063	0.5
98.09669	0.4
107.04950	100.0
108.05296	1.1
110.07278	0.3
118.95564	0.3
121.02823	0.4
121.10138	0.3
122.10580	0.3
132.10222	1.5
132.95847	0.8
136.12010	0.3
137.02325	0.6
140.06981	0.3
143.11801	2.1
144.10168	0.4
144.95818	0.4
149.96165	0.3
150.96892	0.7
153.01840	0.6
154.12315	0.4
155.06862	0.3
158.09615	0.3
158.97409	0.7
159.10049	0.5
162.96840	0.6
165.01933	0.3
169.08478	0.4
169.40883	0.3
171.11311	1.4
174.96872	0.8
176.98358	0.4
182.08214	0.4
188.07182	0.3
189.12294	1.3
196.07965	0.6
196.09682	6.3
215.08841	0.4
216.97957	0.5
217.95160	0.3
229.04901	0.9
234.99020	3.0
238.17943	0.7
252.99950	0.5
256.09698	0.4
256.19009	1.8
257.04453	0.7
285.12250	0.6
302.03992	0.3
302.13950	0.4
302.19458	0.8
303.04977	7.7
304.34866	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.2
55.01860	3.2
55.05531	1.7
55.93528	1.2
56.96554	1.7
57.03424	4.0
61.02912	3.5
63.16288	1.2
65.03926	3.7
66.73975	1.0
67.05496	37.8
69.03423	24.6
69.07059	30.1
69.83009	8.0
70.06578	11.6
72.08145	5.2
72.93791	1.7
73.02894	2.6
81.03395	8.1
84.04491	4.0
84.08129	9.6
85.02895	58.3
86.02414	2.0
86.06063	4.3
86.09695	6.6
87.04443	1.4
91.05448	1.6
94.06484	1.5
95.04957	56.8
95.08597	1.5
97.02882	46.0
98.06039	2.4
98.97572	2.0
99.04452	2.7
103.03906	4.2
103.42245	1.3
107.04946	18.5
108.05302	1.3
109.02849	10.1
109.31709	1.2
110.06047	2.2
112.07594	36.3
113.06007	4.3
116.10908	1.3
116.98611	1.7
122.05991	2.6
123.04449	2.3
124.07568	3.4
127.03902	14.1
129.10191	3.0
132.08401	1.9
136.07547	4.5
137.05920	1.7
140.07047	100.0
145.04964	3.2
154.08604	7.1
158.97427	1.3
164.07039	1.3
170.08206	1.9
178.08655	4.7
182.08109	69.3
183.08479	1.7
196.08154	3.6
206.08134	15.6
206.90643	1.4
218.08049	2.7
218.97420	5.0
236.09160	1.9
236.98468	1.8
248.09177	11.0
256.09579	2.5
258.16971	2.1
285.12540	2.0
291.44595	1.4
302.12540	4.4
303.13733	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01851	0.7
56.05024	1.0
56.96555	2.7
57.03429	1.1
58.06579	2.4
60.04520	1.2
60.05630	0.7
61.02919	1.0
68.05010	0.7
69.03413	2.2
70.06581	4.9
70.77954	0.5
70.78320	1.7
72.08143	1.5
72.93766	0.7
73.02905	1.8
73.08168	0.5
79.05485	1.3
79.61373	0.6
81.03394	1.0
83.14824	0.6
84.04486	1.6
84.08149	1.4
85.02898	2.3
86.06075	1.1
86.09687	1.2
87.48814	0.6
90.88814	0.6
90.94828	1.0
93.40597	0.6
94.06562	0.9
95.04966	2.0
95.06079	1.1
96.04477	1.2
97.02886	2.9
98.20713	0.9
98.97575	0.8
102.05524	0.9
105.04459	0.9
107.04947	100.0
108.05293	1.5
110.07144	1.7
113.04617	1.7
113.96404	1.3
114.05531	2.1
115.03874	0.9
116.98656	0.9
122.06033	12.6
123.04359	0.9
124.51875	0.5
125.02358	3.8
125.03129	0.6
128.98589	0.6
131.97398	0.8
132.06578	2.0
132.95815	1.4
133.04961	2.5
134.06007	0.9
140.07040	4.1
141.04077	6.4
142.07222	4.3
144.95818	0.7
146.11801	0.6
146.99646	0.6
150.96848	1.1
152.05673	4.4
152.06953	1.1
153.04080	0.8
154.07129	0.7
160.06039	0.7
161.04507	0.6
162.96936	0.6
167.97432	0.8
170.06725	8.6
174.99097	1.0
177.02354	0.7
178.07103	17.7
186.57684	0.7
189.00630	0.8
196.08162	46.9
197.08571	0.7
203.10368	1.1
213.98091	0.7
219.01625	0.6
220.10240	0.9
230.95717	0.7
232.97218	0.9
252.16006	0.8
260.09879	0.7
280.28329	0.6
302.12439	9.4
302.16025	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31098	0.4
56.96544	0.6
62.38181	0.5
70.57888	1.6
71.38543	0.5
72.48997	0.5
98.97567	1.1
116.98583	1.4
119.01131	0.6
119.01912	6.6
134.99648	1.2
137.02928	2.5
148.88702	0.5
158.99957	0.6
177.00940	15.2
178.01028	3.5
179.00670	4.9
180.00786	0.5
181.00537	0.6
201.00876	1.0
212.95639	1.6
214.97566	0.5
217.04097	2.5
218.03584	0.7
219.01999	25.6
220.02054	9.5
221.01743	14.2
222.01860	1.2
225.00940	2.2
242.03696	0.6
243.01930	5.4
245.57831	0.5
254.96600	1.8
258.04941	1.1
260.02606	1.6
260.05011	2.7
261.03046	100.0
262.03125	8.0
263.02988	1.1
264.02798	0.6
269.95401	0.5
274.03452	0.6
277.00992	0.8
278.00742	0.8
278.03668	1.7
278.96689	2.4
279.02628	1.5
283.99908	1.3
284.04721	4.1
296.97675	1.9
301.00891	0.8
302.01053	2.2
302.06003	12.3
302.09753	0.9
303.00949	1.5
303.05487	2.1
316.87201	0.5
320.04901	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2159
Annotation	Retinoic acid
Peak:m/z	Relative Intensity
51.02364	2.6
53.03933	2.9
55.01857	6.7
55.05509	26.4
57.03413	7.9
58.36143	2.2
59.04982	2.7
64.36321	2.0
67.05502	64.4
69.03411	4.5
69.07062	24.6
70.04067	3.6
71.04980	5.2
71.15962	2.1
72.90497	2.1
75.02355	7.7
79.05496	20.1
81.03391	4.8
81.07054	30.2
83.04951	7.1
83.08616	5.0
85.02873	2.7
85.06527	5.5
86.99993	5.5
91.05486	19.7
93.07039	28.3
95.04959	26.0
95.08605	28.9
97.06512	7.0
97.10178	5.0
105.07037	27.4
107.04942	5.4
107.08591	45.3
109.06522	19.4
109.10155	89.5
111.04414	3.0
111.08073	4.1
113.09631	2.6
117.06985	6.1
119.08576	66.7
119.09452	3.2
121.06499	6.3
121.10121	13.4
122.07233	5.2
123.08082	21.6
123.11710	5.6
125.09637	4.4
126.99477	2.9
129.01009	13.5
129.06953	3.4
131.08563	10.6
132.96054	10.2
133.10132	12.5
135.08058	32.3
135.11697	7.5
137.09610	67.1
139.00563	13.7
143.08557	6.7
145.10106	13.8
147.08043	3.8
147.11667	4.7
148.08820	4.1
149.09605	8.3
155.08463	3.4
157.10109	4.4
159.11685	4.9
160.95546	13.1
161.09581	9.5
161.13263	7.0
163.11171	8.2
165.12755	11.1
171.11774	3.1
173.13298	3.8
175.11176	4.7
175.14790	2.4
181.12227	4.3
183.11685	2.6
189.12781	2.4
191.14290	100.0
192.14784	3.0
193.12198	3.0
197.13158	3.2
202.01871	4.5
204.12607	3.1
205.15875	10.0
207.13736	2.5
209.13365	2.5
213.12662	4.1
217.15837	7.4
221.15367	7.7
225.16234	2.7
227.14569	2.5
237.99478	10.0
283.20526	12.7
300.95789	26.4
301.06967	6.7
301.16534	10.9
301.21616	89.7
302.21832	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	301.2155
Annotation	Retinoic acid
Peak:m/z	Relative Intensity
55.01862	3.1
55.05495	16.2
57.03426	6.2
57.07072	3.7
67.05165	5.2
67.05499	61.0
69.03424	5.1
69.07063	23.3
70.04087	3.7
71.04985	7.6
71.59339	4.4
79.05471	17.7
81.07049	31.6
83.04959	3.5
83.08635	5.4
87.79794	2.2
91.05464	22.1
93.07034	36.6
95.04964	22.0
95.08595	22.8
97.06529	4.9
97.99196	2.7
105.07014	24.5
107.04937	6.0
107.08575	48.2
109.06493	17.4
109.10146	95.4
109.13551	2.5
111.08018	2.5
113.09673	3.5
117.07000	6.5
119.08569	57.4
121.06496	6.5
121.10146	16.1
122.07269	6.5
123.08032	27.8
123.11627	4.6
131.08575	10.3
133.10114	10.1
135.08038	31.6
135.11682	11.1
137.09604	63.2
139.11143	3.7
145.10063	12.5
149.09630	9.2
159.11674	4.6
161.09648	9.6
161.13200	6.0
163.11148	6.6
165.12773	8.5
173.13148	3.0
175.11134	2.8
175.14978	2.9
177.12724	2.9
181.12256	5.5
191.14287	100.0
191.16066	5.0
192.14600	3.7
205.15910	5.2
213.12845	3.0
217.15959	5.3
221.15416	7.7
283.20471	6.9
301.07089	8.3
301.16299	8.3
301.21634	79.5
302.21930	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	301.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.4
55.05507	19.3
56.96565	7.5
57.03437	22.9
65.85122	3.3
67.05506	74.6
69.03410	4.0
69.07072	18.6
70.80225	3.8
71.04996	68.8
79.05490	40.1
80.64831	4.2
81.07054	100.0
83.04978	9.5
83.08621	12.6
84.08162	4.4
85.06532	10.9
85.42040	3.1
86.09691	6.3
86.44915	3.1
87.04464	3.5
91.05475	58.8
93.07047	45.6
95.04967	10.7
95.08605	25.3
97.06535	16.9
97.10156	3.8
98.21497	8.7
105.07045	30.7
107.04955	49.6
107.08598	31.1
108.05274	20.8
109.06490	5.4
109.10160	20.2
111.08060	6.0
117.07025	14.0
119.08594	9.8
121.10152	10.7
123.11722	16.5
124.01575	4.0
125.09621	4.1
131.04935	4.3
131.08560	17.4
133.06508	3.7
133.10120	45.4
135.04395	3.5
135.11726	9.7
145.06461	7.2
145.10101	10.3
149.13268	15.2
149.31516	3.2
151.03918	7.8
151.11188	22.7
157.10161	5.9
159.11688	26.5
161.06053	6.5
161.13300	3.7
167.03464	10.3
171.11771	5.9
173.13243	5.2
177.12718	8.0
183.13809	14.2
187.13307	14.0
189.09149	5.7
190.09479	6.2
195.13866	6.3
199.14816	3.7
201.16409	7.0
202.17064	4.6
205.46141	3.8
253.11736	6.1
255.21013	4.2
257.17532	17.0
258.05136	6.1
261.65411	3.8
269.17480	22.7
284.13623	31.6
286.04657	6.1
301.07111	22.3
301.10498	6.0
301.16397	15.6
301.20343	20.8
316.94034	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	301.1797
Annotation	(3R,5R)-1-(4-Hydroxyphenyl)-7-phenyl-3,5-heptanediol
Peak:m/z	Relative Intensity
55.01865	5.0
55.05507	19.4
56.96555	2.7
57.03418	5.5
57.07063	8.5
59.04983	1.6
65.03921	2.0
67.05496	23.6
69.03419	3.0
69.06756	1.7
69.07063	16.0
69.35582	1.5
70.04070	10.6
70.05222	3.4
70.05615	4.6
71.04984	2.3
71.08624	2.7
71.66669	1.4
73.02907	1.9
79.05490	12.3
81.03424	2.2
81.07056	24.9
82.94547	3.6
83.04980	7.6
83.08596	5.8
83.93286	1.4
85.02873	4.9
85.10178	3.3
91.05474	36.4
93.07042	11.5
95.04940	7.3
95.08615	9.6
97.06519	5.1
97.10153	7.0
105.07026	14.9
107.04280	2.3
107.04948	31.7
107.08568	6.7
109.10137	8.7
111.04416	6.4
111.08064	2.3
115.05443	4.4
117.06979	8.6
119.04953	8.4
119.08571	7.1
121.06496	4.3
121.10128	7.2
123.08082	2.3
123.11696	2.2
125.09618	4.9
129.06960	3.0
131.04893	2.7
131.08556	7.3
133.06487	43.5
133.10123	3.2
134.99631	2.2
135.11690	5.1
137.09564	1.9
137.60776	1.7
143.08522	3.3
144.05704	2.5
145.06473	51.8
145.10104	6.9
147.04399	49.2
147.08037	10.7
147.11606	1.6
149.05840	2.2
149.09625	4.9
153.12708	3.3
155.06041	1.6
155.08597	1.9
157.06482	100.0
157.10141	2.6
158.06870	1.9
158.97615	23.7
159.08057	24.1
159.11674	3.5
159.97974	4.2
160.97331	18.7
161.05971	61.4
161.09589	5.1
163.11130	9.2
165.06912	1.8
165.12694	1.6
171.05525	2.4
171.08089	8.9
171.11568	2.0
173.05981	12.8
173.09578	6.3
173.13231	4.9
181.06474	2.4
181.12173	5.0
183.08037	15.9
185.09589	8.4
187.11206	2.8
191.10629	5.8
191.14215	2.7
194.95212	1.9
195.07948	3.2
196.95010	3.9
197.09627	7.5
199.11165	7.4
205.15866	12.5
206.16631	2.9
209.11691	2.5
213.12729	3.2
227.12651	3.2
227.24019	1.5
229.15860	30.6
231.17532	3.2
243.14087	2.0
245.04758	2.9
245.98920	3.2
255.17381	15.0
258.05045	1.7
265.15884	6.2
273.18460	8.2
283.16901	18.7
295.36374	1.6
300.96606	3.2
301.06998	9.2
301.17850	41.2
301.21555	10.8
301.29132	4.5
301.95975	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	301.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.0
55.05507	19.4
56.96555	2.7
57.03418	5.5
57.07063	8.5
59.04983	1.6
65.03921	2.0
67.05496	23.6
69.03419	3.0
69.06756	1.7
69.07063	16.0
69.35582	1.5
70.04070	10.6
70.05222	3.4
70.05615	4.6
71.04984	2.3
71.08624	2.7
71.66669	1.4
73.02907	1.9
79.05490	12.3
81.03424	2.2
81.07056	24.9
82.94547	3.6
83.04980	7.6
83.08596	5.8
83.93286	1.4
85.02873	4.9
85.10178	3.3
91.05474	36.4
93.07042	11.5
95.04940	7.3
95.08615	9.6
97.06519	5.1
97.10153	7.0
105.07026	14.9
107.04280	2.3
107.04948	31.7
107.08568	6.7
109.10137	8.7
111.04416	6.4
111.08064	2.3
115.05443	4.4
117.06979	8.6
119.04953	8.4
119.08571	7.1
121.06496	4.3
121.10128	7.2
123.08082	2.3
123.11696	2.2
125.09618	4.9
129.06960	3.0
131.04893	2.7
131.08556	7.3
133.06487	43.5
133.10123	3.2
134.99631	2.2
135.11690	5.1
137.09564	1.9
137.60776	1.7
143.08522	3.3
144.05704	2.5
145.06473	51.8
145.10104	6.9
147.04399	49.2
147.08037	10.7
147.11606	1.6
149.05840	2.2
149.09625	4.9
153.12708	3.3
155.06041	1.6
155.08597	1.9
157.06482	100.0
157.10141	2.6
158.06870	1.9
158.97615	23.7
159.08057	24.1
159.11674	3.5
159.97974	4.2
160.97331	18.7
161.05971	61.4
161.09589	5.1
163.11130	9.2
165.06912	1.8
165.12694	1.6
171.05525	2.4
171.08089	8.9
171.11568	2.0
173.05981	12.8
173.09578	6.3
173.13231	4.9
181.06474	2.4
181.12173	5.0
183.08037	15.9
185.09589	8.4
187.11206	2.8
191.10629	5.8
191.14215	2.7
194.95212	1.9
195.07948	3.2
196.95010	3.9
197.09627	7.5
199.11165	7.4
205.15866	12.5
206.16631	2.9
209.11691	2.5
213.12729	3.2
227.12651	3.2
227.24019	1.5
229.15860	30.6
231.17532	3.2
243.14087	2.0
245.04758	2.9
245.98920	3.2
255.17381	15.0
258.05045	1.7
265.15884	6.2
273.18460	8.2
283.16901	18.7
295.36374	1.6
300.96606	3.2
301.06998	9.2
301.17850	41.2
301.21555	10.8
301.29132	4.5
301.95975	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	301.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.3
55.01872	13.1
55.05508	27.3
56.41485	1.7
56.96567	8.9
57.03439	26.7
58.06593	2.0
65.03938	3.1
67.05507	53.2
69.03420	4.6
69.07058	13.6
70.06599	9.0
70.15123	6.5
71.05000	10.3
71.61469	1.8
72.08148	5.3
79.05061	3.6
79.05495	49.8
81.03410	9.5
81.06314	1.9
81.07060	38.0
82.06580	4.1
83.04980	26.9
83.08614	9.7
84.08147	9.2
84.96062	2.5
85.02898	5.8
85.06551	6.9
86.09718	10.7
87.04482	2.9
91.05487	36.1
93.07042	51.4
93.07628	2.6
95.04971	18.6
95.08607	20.8
97.02860	2.1
97.06532	16.1
97.10201	3.7
97.34133	1.9
98.11845	2.2
98.20766	2.6
98.97576	7.6
99.04453	6.0
100.11250	9.6
101.05982	2.5
101.11591	2.5
103.05461	8.0
105.07030	16.6
107.04954	100.0
107.08598	25.4
109.06506	4.2
109.10151	8.1
111.04437	29.6
111.08076	7.2
112.20412	1.8
115.05492	5.6
116.98618	5.6
117.07012	16.5
119.04929	11.8
119.08579	17.2
121.02883	1.9
121.06522	4.7
121.10136	41.1
123.04432	4.0
123.08091	2.7
125.09626	5.6
128.98637	4.0
129.05525	2.7
129.07040	5.6
129.10248	3.3
130.07776	4.0
131.04929	78.7
131.08548	9.9
132.05707	8.3
133.02859	18.8
133.06432	2.0
133.10193	3.3
134.99658	7.1
135.04453	2.3
135.08087	4.1
135.11687	31.0
137.09694	2.4
139.07582	2.3
139.11189	2.5
141.11475	2.7
141.61688	4.2
143.10754	2.0
144.05687	5.6
145.06487	7.7
145.10129	39.3
146.99666	5.6
147.04411	8.2
147.08109	3.5
147.11681	2.9
149.05978	2.2
149.09619	7.5
153.12740	11.3
155.08542	6.5
157.06445	2.2
159.04436	10.4
161.01245	1.7
161.06026	3.1
163.11208	41.7
165.06985	4.4
165.09216	2.2
166.07814	4.2
167.08563	3.8
171.04437	5.4
173.09627	23.9
177.00719	3.4
178.07750	2.9
179.08575	4.1
181.06558	2.3
181.10196	2.7
181.10628	2.8
181.12263	18.8
182.07280	3.8
182.15399	2.1
183.15765	2.3
190.07755	4.4
191.08586	9.1
191.10689	24.3
194.07295	8.1
195.08026	6.1
197.09657	4.0
205.16698	4.5
207.08067	6.9
209.09642	9.1
209.11771	9.0
210.06787	2.6
210.14998	4.2
211.15222	2.7
213.09137	4.4
218.66263	2.8
219.08015	11.0
219.16383	8.2
220.08665	2.1
223.07503	3.8
224.08311	5.4
225.09100	29.5
227.12794	15.5
229.12221	3.2
235.07567	5.1
236.08392	3.1
237.02869	8.5
237.09079	35.3
238.09229	2.7
245.04767	3.0
245.07048	3.4
245.13884	3.3
247.07472	3.7
253.08611	7.9
263.08023	2.7
265.08585	20.6
271.09610	14.2
272.10052	2.2
283.09656	33.9
283.15460	6.0
301.11060	12.0
301.16504	32.1
319.10742	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	301.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35748	4.0
52.74080	2.7
53.03933	11.4
55.01868	22.2
55.05510	41.8
56.05025	3.6
56.96576	16.6
57.03196	3.0
57.03439	46.1
65.03952	4.0
67.05504	94.6
69.03420	7.1
69.06783	2.4
69.07075	25.7
69.33416	7.7
69.33816	22.5
70.06586	22.7
71.04989	17.4
72.08133	10.2
73.02923	4.7
79.05492	100.0
81.03430	18.1
81.07057	76.9
82.81702	2.9
83.04977	48.7
83.08606	10.3
84.04504	8.8
84.08138	17.6
84.08544	2.9
85.02905	14.8
85.06522	12.0
86.09707	15.9
87.04472	4.7
91.04920	2.8
91.05474	59.5
93.06473	6.0
93.07044	89.2
95.04953	30.9
95.08611	32.1
97.02896	5.1
97.06523	32.6
97.10148	12.1
99.04446	8.6
103.05470	6.8
105.07016	32.8
107.04949	91.2
107.08583	49.2
108.05251	6.4
109.06515	12.2
109.10149	16.5
110.07110	3.4
111.04436	49.7
111.08077	8.5
116.27227	2.7
117.07013	28.5
119.08569	31.9
120.08113	3.8
121.06494	25.7
121.10135	68.6
123.08060	3.9
125.05975	6.4
125.09643	8.9
129.05484	3.5
129.06992	9.9
129.10234	8.4
130.07803	2.9
131.04910	9.4
131.08556	27.8
132.08044	3.3
133.06480	7.9
133.10117	3.1
135.08040	3.3
135.11673	56.6
137.05942	5.0
139.11151	8.4
143.08617	4.6
145.06464	12.3
145.10124	66.5
147.08051	6.4
147.11523	3.7
149.05956	3.8
149.09595	10.8
151.07475	3.6
151.11198	4.0
153.07007	3.5
153.12769	21.7
155.08519	17.5
157.06461	3.7
159.11684	3.5
161.06000	4.3
161.09631	3.3
163.07579	3.9
163.11198	66.0
165.06932	4.2
167.08594	3.5
171.03278	4.1
173.09634	47.6
179.08533	5.2
181.12254	47.0
182.07315	5.1
189.04367	19.8
189.09088	4.8
191.10674	42.7
195.08041	10.2
197.09697	14.4
209.11754	15.9
223.07555	7.3
223.11203	8.0
225.09061	10.4
227.05882	21.2
227.12778	35.8
229.05151	3.0
245.04720	7.0
245.06949	35.5
255.10535	5.9
255.21092	6.0
257.11697	14.6
263.08063	18.7
283.15390	11.7
284.13547	4.5
301.06842	5.3
301.09799	7.8
301.16519	64.8
301.21701	6.4
319.10599	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	301.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70575	1.6
53.03937	2.8
53.04514	1.4
55.01870	27.1
55.05504	18.3
56.96554	2.7
57.03433	27.5
57.07069	2.1
58.78239	1.4
59.55101	1.5
65.03927	2.5
67.05505	52.4
69.03414	2.8
69.07068	13.6
70.06591	4.0
70.10096	7.4
71.04996	12.1
73.02913	2.5
79.05488	38.8
81.03416	4.3
81.07057	42.0
83.04486	3.4
83.04980	63.0
83.08619	11.7
84.04472	2.4
84.08146	4.2
85.02890	7.0
85.06532	5.1
86.09684	5.6
91.05478	24.3
93.06475	2.9
93.07042	50.8
95.04967	9.6
95.08605	23.2
97.06525	14.9
99.04443	10.6
99.08112	3.9
101.02392	2.5
104.10751	2.6
105.07033	10.5
107.04954	16.2
107.08610	22.2
108.05258	1.6
109.06497	3.6
109.10164	28.4
111.04437	100.0
111.08077	29.7
116.98618	1.9
117.07037	10.8
119.08561	16.4
120.08071	1.9
121.06513	6.0
121.10146	40.0
123.08067	2.6
123.11713	2.5
125.00015	2.0
125.05973	5.6
129.05495	2.9
129.06978	3.9
131.08565	15.8
133.06517	1.9
133.10126	4.3
135.08073	3.2
135.11687	38.9
137.09619	2.3
139.07539	1.9
139.11180	5.5
143.08585	2.1
145.10124	28.8
147.08116	2.2
147.11659	7.5
149.09618	11.0
153.12738	45.6
155.08516	4.7
159.11646	2.0
161.05998	2.6
163.11171	64.3
173.09604	16.7
181.12236	80.6
182.12552	2.3
184.07353	3.6
191.08922	3.7
191.10666	72.9
199.13283	3.9
209.11725	15.8
227.12788	69.5
228.13370	1.9
241.09782	1.8
244.80629	1.8
245.13864	15.4
255.11275	3.9
255.21037	1.9
283.06305	3.3
283.10587	3.4
283.15445	7.0
301.11313	3.2
301.16513	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57841	3.4
50.81214	3.2
53.03942	12.0
55.01869	34.3
55.05509	34.0
55.83421	3.1
56.96553	7.9
57.03434	43.5
65.03928	9.9
67.05503	96.6
68.99783	9.3
69.03415	6.7
69.07075	21.2
70.06586	11.6
70.73394	12.5
71.04988	12.8
72.08109	3.9
73.02911	4.9
79.05489	99.4
81.03417	14.5
81.07051	76.4
83.04979	56.8
83.08618	14.0
84.04453	3.2
84.08149	5.5
85.02906	9.9
85.06533	10.9
91.05479	52.8
93.07037	85.3
95.01359	4.0
95.04964	34.6
95.08604	38.4
97.02889	5.5
97.06527	29.0
99.04460	9.7
101.02381	5.3
105.07008	26.3
107.04952	72.0
107.08588	48.6
108.05267	3.0
109.02902	4.5
109.06528	7.1
109.10143	19.5
111.04436	90.3
111.08049	19.8
115.05429	5.6
116.98636	3.6
117.07027	28.0
119.08575	32.7
119.69402	4.2
121.02892	3.9
121.06483	14.9
121.10138	69.0
123.04397	6.4
123.08104	8.1
125.05958	7.6
129.07018	10.6
131.04893	6.1
131.08621	19.9
133.10168	6.6
135.08049	7.8
135.11687	76.2
137.02374	3.4
137.06001	12.3
139.03851	4.6
143.08546	3.8
144.08034	6.3
145.06477	13.9
145.10120	73.9
146.99643	6.0
147.04419	5.8
147.08086	5.7
147.11635	8.2
148.03839	4.5
149.05975	4.2
149.09616	17.4
153.06984	7.1
153.12746	38.0
154.07780	3.8
155.08549	19.2
161.05971	9.7
163.11186	100.0
167.07057	3.9
171.04469	4.2
173.09599	41.8
179.10605	3.0
181.12239	67.8
189.05460	9.5
191.10681	65.7
199.13359	5.2
209.11768	24.7
211.08809	4.2
212.09384	6.3
212.29253	4.0
213.10428	6.0
214.12318	4.3
215.70929	3.5
217.04967	37.6
225.06593	3.6
227.08258	5.2
227.12833	51.2
231.84033	3.4
240.08615	4.1
241.09796	16.0
245.04515	33.3
245.14075	3.7
246.04788	5.2
255.11185	28.9
256.09641	6.5
256.12103	4.8
258.05142	6.8
258.11279	11.2
259.10730	8.1
265.14258	6.5
270.10001	4.8
272.07941	19.8
273.03900	36.5
283.10733	19.9
283.15387	10.9
284.10437	6.9
301.03430	67.9
301.07104	17.0
301.11835	63.7
301.16470	89.3
301.21780	7.1
302.03925	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	301.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.01868	27.8
55.05518	19.3
56.96560	4.7
57.03431	24.4
65.03940	2.9
65.08282	2.7
67.05505	54.5
69.03423	4.9
69.07059	16.9
70.06569	6.4
70.09541	12.2
71.04994	8.5
72.08147	3.1
73.02899	2.8
79.05482	30.6
81.03421	4.3
81.07056	40.3
83.04984	52.1
83.08621	12.1
84.04499	3.9
84.08131	4.1
85.02898	7.6
85.06555	6.5
86.09689	6.5
91.05466	24.1
93.07043	45.6
95.04973	13.0
95.08627	16.5
97.06538	16.2
99.04453	6.8
105.07029	10.9
107.04948	20.6
107.08607	26.8
108.05246	3.2
109.06518	4.1
109.10157	24.8
111.04440	100.0
111.08086	28.1
117.07025	8.5
119.08570	10.8
121.06499	6.6
121.10146	32.5
125.05985	4.6
125.09621	3.8
129.05518	3.0
131.08566	15.5
133.10114	6.0
135.08061	4.5
135.11687	46.4
145.06461	5.4
145.10117	33.2
147.11670	7.9
149.09622	10.7
153.12747	40.9
155.08548	7.2
163.11191	64.1
167.03397	3.2
173.09612	14.2
181.12239	80.6
184.07231	3.0
191.10666	72.2
199.13254	3.6
209.11824	13.4
227.12775	68.7
245.04639	6.4
255.11368	3.0
284.13580	5.4
301.07050	6.3
301.16483	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40500	2.1
53.03928	3.5
55.01864	23.4
55.05512	31.9
55.79108	2.5
56.05013	3.1
56.96550	7.4
57.03184	4.0
57.03440	43.3
57.07074	3.3
59.04984	3.7
60.04516	5.0
65.03931	6.7
67.05507	88.4
69.03425	3.9
69.06731	2.6
69.07072	35.8
70.02913	5.1
70.03330	9.3
70.06591	11.1
70.81908	2.4
71.04996	27.1
72.08145	7.5
73.02927	3.0
79.05495	74.4
81.03410	6.2
81.07060	67.2
83.04987	68.8
83.08632	13.5
83.74539	2.6
84.04472	3.3
84.08141	12.7
85.02893	7.3
85.06532	9.4
86.09707	9.0
87.04428	5.7
89.02393	3.8
91.05483	43.1
93.06477	5.2
93.07047	95.3
95.04977	20.1
95.08611	30.9
97.02890	3.7
97.06543	22.7
97.10126	3.4
99.04448	10.1
99.08076	4.0
101.02409	3.5
103.05449	2.5
105.07033	21.9
107.04967	25.7
107.08601	49.4
108.05308	2.8
109.06512	3.9
109.10161	32.8
111.04445	100.0
111.08084	28.9
111.11709	5.3
116.98569	3.2
117.07018	17.0
119.04967	3.6
119.08572	31.3
121.06490	8.5
121.10148	80.3
123.11731	3.5
124.38348	3.0
125.06012	7.0
129.05473	4.2
129.07014	9.5
130.07747	4.3
131.08575	20.0
133.06490	4.5
133.10161	13.9
133.10970	2.5
135.08069	5.4
135.10693	4.8
135.11697	81.0
137.09575	5.6
139.07542	3.4
139.11195	21.6
145.06473	4.6
145.10123	36.9
147.07988	4.3
147.11664	9.6
149.09610	9.3
149.13249	4.3
151.03973	2.7
151.11168	7.1
153.12747	45.8
155.08557	7.3
161.05969	3.3
163.11189	77.0
172.57394	2.7
173.09589	15.9
181.12244	94.9
183.13725	3.8
184.07352	8.4
185.11716	6.8
187.13309	3.0
191.10686	71.1
199.13365	15.0
209.10062	3.0
209.11676	17.2
225.20807	2.3
227.08202	2.7
227.12814	79.0
245.04655	5.2
245.13853	44.5
255.11269	8.2
283.15424	4.9
301.07040	3.9
301.11401	3.9
301.16562	53.3
301.20047	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	301.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
55.01868	1.8
55.05513	3.7
56.05041	0.8
56.95146	0.7
56.96550	2.6
57.03421	2.4
57.07054	0.6
57.72984	0.6
60.40767	0.6
60.72309	0.6
65.03936	0.9
67.05502	7.1
68.05016	2.5
69.03429	1.0
69.07056	2.6
70.02955	1.7
70.06597	5.4
71.04983	3.1
71.05334	0.7
71.59952	0.9
72.08144	1.8
72.93788	1.0
79.05493	6.3
80.04998	0.7
81.03425	1.6
81.07064	5.8
82.06565	1.3
83.04977	1.8
83.08621	1.1
84.08130	1.3
85.02914	1.1
85.06534	1.2
86.09702	3.3
88.03994	1.2
90.05552	4.4
90.94809	0.8
91.05470	5.7
93.07050	5.7
95.04964	1.9
95.08610	3.0
97.02881	1.3
97.06538	2.0
97.10172	0.9
98.05412	1.4
98.06055	26.9
98.97577	2.0
100.07615	1.6
103.05464	6.2
105.07011	2.5
107.04953	15.4
107.08592	3.4
108.02082	0.6
108.04492	0.7
108.95879	0.8
109.06519	0.7
109.10178	1.7
111.04460	1.9
111.08105	0.7
112.03941	2.7
115.05439	0.9
116.07172	0.8
116.98626	2.1
117.05695	1.0
117.07051	1.9
119.04920	2.1
119.08520	1.6
121.02885	1.4
121.06487	1.5
121.10126	3.4
123.11720	0.9
126.05480	2.0
128.06210	2.9
128.07043	0.8
129.07007	17.4
129.10197	0.9
130.06525	4.4
131.04924	12.2
131.08542	1.7
132.05307	1.0
133.06528	1.2
133.10098	1.3
134.99617	1.3
135.08000	0.8
135.11629	2.6
136.07570	0.9
137.05943	1.1
139.11192	0.9
141.06976	0.9
143.07323	12.8
143.08530	2.1
144.06558	18.6
144.08061	5.5
145.10083	2.2
146.05978	1.3
146.08156	1.4
147.04449	1.1
147.08136	0.8
149.09595	0.8
152.96376	0.8
153.07019	0.9
153.12743	0.8
154.06520	30.7
155.07233	3.0
156.08092	44.3
157.06531	0.7
158.09651	100.0
159.10002	1.2
160.12500	0.6
161.05991	0.9
163.07545	3.5
163.11157	2.9
167.07338	6.7
168.08086	81.2
169.08861	6.0
170.09648	11.7
170.97466	0.8
172.07536	4.4
173.09566	1.3
177.00722	1.5
181.12314	1.1
182.09633	1.1
186.14893	0.9
188.07097	1.6
189.05580	0.9
191.10712	1.2
196.07648	4.9
209.11722	3.6
214.08623	39.3
215.08936	1.4
220.13304	1.5
222.01976	1.2
225.09219	0.9
227.12973	1.6
234.01857	0.7
238.14415	2.2
239.15387	1.2
245.13834	1.5
257.12814	0.9
273.03793	0.7
278.01218	1.5
279.05225	1.0
283.15283	2.0
301.03320	1.1
301.11603	1.3
301.15848	4.8
301.21674	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.7
55.05511	1.5
56.03943	0.7
56.05032	2.0
56.96558	0.9
60.04511	1.7
67.05491	1.2
69.07064	1.7
70.06595	20.5
70.87324	2.2
71.06915	1.3
72.08155	7.3
73.59634	0.7
74.06047	0.9
83.71459	0.8
84.04504	3.7
84.07688	1.2
84.08144	12.2
85.02908	1.4
86.06023	0.9
86.09705	8.4
96.05129	0.8
98.98448	1.2
99.21683	0.9
101.10790	0.9
107.04932	2.4
108.05292	0.8
110.07188	4.4
111.08104	0.8
116.07069	1.8
120.08118	1.3
127.08715	0.9
129.10220	7.6
130.08627	1.2
133.06473	0.8
136.54906	0.8
142.36659	0.7
148.03914	0.8
151.03905	1.0
161.05963	1.4
171.78355	0.7
184.07455	1.0
221.05029	1.9
227.99110	1.0
258.88702	0.8
301.12579	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1181
Annotation	5-Nitro-2-(3-phenylpropylamino)benzoic acid
Peak:m/z	Relative Intensity
53.03932	1.4
55.01870	4.5
55.05505	4.3
56.05013	1.2
56.96560	8.0
57.03427	2.8
61.02906	1.1
65.03931	4.0
67.05502	10.4
68.99781	2.3
69.03400	2.5
69.07049	2.8
70.06579	4.0
71.04970	2.0
71.60036	0.9
72.08148	1.5
73.02923	1.5
79.05488	7.5
81.03399	2.3
81.07041	8.1
82.07333	0.8
83.04971	2.5
83.08624	2.0
84.04499	1.9
84.08154	1.3
84.96031	1.2
85.02892	3.2
85.06520	1.0
91.05489	5.0
92.05006	4.5
93.07026	6.2
93.56020	0.9
94.06586	1.8
95.04945	2.8
95.08608	3.6
97.02874	4.1
97.06503	2.2
98.06022	0.9
98.97560	3.0
103.05455	2.7
105.07029	3.2
107.04929	6.9
107.08584	3.0
108.08090	1.4
109.02840	1.6
109.06507	1.4
109.10151	3.1
110.97601	1.0
111.04443	4.4
111.08096	1.1
111.11720	1.3
115.02281	0.9
115.05421	2.0
115.97893	0.8
116.98630	2.9
117.07011	2.3
119.04938	1.9
119.08562	2.5
120.04461	2.1
120.08096	1.1
121.02873	1.6
121.06491	3.0
121.10158	7.0
122.03616	0.9
122.06025	2.0
125.05983	1.1
127.00636	1.1
128.98566	2.3
129.06996	2.6
130.05014	1.5
130.06520	2.9
131.04956	3.7
131.08577	2.4
133.06511	1.3
134.05983	1.4
134.99625	2.6
135.08044	1.5
135.11690	6.0
136.07565	2.2
137.05948	12.6
139.03986	1.4
139.11166	1.9
141.07010	1.0
143.07248	0.9
143.08574	1.2
144.08092	1.8
145.01677	1.3
145.06458	0.9
145.10104	3.9
146.05984	1.1
146.99638	3.9
148.03902	2.6
149.05986	1.1
149.09590	1.7
151.03899	2.6
153.01785	0.9
153.05478	1.9
153.06927	1.0
154.06519	1.9
155.08553	1.0
157.06439	3.1
158.05983	2.7
158.09615	1.3
159.09288	0.9
160.07530	1.0
161.01233	2.3
161.05946	1.8
162.05470	2.2
163.07497	0.9
163.11169	6.0
166.05026	2.5
167.07298	4.4
167.08511	1.5
168.08110	2.2
169.07608	1.1
169.08852	2.0
170.05919	1.0
170.08366	1.6
170.09647	2.2
170.99687	1.1
171.09195	1.1
172.07603	1.6
173.09605	1.4
174.06743	1.5
175.07442	1.2
177.00693	1.8
178.03864	2.2
179.11757	1.2
180.08060	1.0
181.06348	1.0
181.12231	3.2
182.09724	6.4
183.09178	3.3
184.07622	1.4
184.09846	5.0
184.11368	1.7
185.07101	1.1
185.10626	4.4
186.09169	2.9
186.11386	0.9
187.08748	1.0
189.00687	1.0
189.05461	1.3
189.09099	4.0
191.07237	1.0
191.10661	1.3
192.08064	1.7
195.06824	1.3
196.07588	1.9
197.01251	1.0
197.07011	8.1
197.08658	1.0
198.07805	11.4
199.03714	1.1
199.08655	3.7
199.12285	10.0
200.10799	2.0
200.12770	1.2
204.05542	0.9
205.08623	1.0
209.10286	1.0
209.11662	5.4
210.09134	8.5
211.08673	10.4
212.09288	13.6
212.11301	0.9
213.10233	18.4
214.10669	1.3
217.04932	8.7
219.01770	2.0
222.07932	1.8
224.07047	1.4
225.06593	12.1
225.10133	1.5
226.07349	25.6
226.10837	1.2
227.08231	13.0
227.11639	25.8
228.10301	1.4
229.09720	13.9
237.02789	5.8
237.10228	3.0
238.08621	2.9
239.08150	6.6
240.08876	20.0
241.09703	74.3
242.10330	3.0
245.04465	7.2
245.13788	3.5
254.10312	1.0
255.11267	100.0
256.09528	7.8
256.11899	1.1
257.12775	3.2
259.10739	5.4
266.08176	1.0
268.08466	1.9
272.07996	2.3
273.03918	8.7
273.12262	2.6
283.10748	55.6
283.15582	2.0
301.03391	17.5
301.07007	3.3
301.11774	26.5
301.15839	6.1
301.21817	1.9
302.03943	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1181
Annotation	5-Nitro-2-(3-phenylpropylamino)benzoic acid
Peak:m/z	Relative Intensity
50.70630	0.4
51.44484	0.4
55.01855	1.5
55.05496	2.2
56.96555	2.5
57.03418	1.6
57.07046	0.5
65.03934	3.5
67.05495	5.9
69.03424	0.7
69.07063	1.7
70.04058	1.0
70.06577	1.2
71.04969	2.2
71.59562	0.6
72.08134	0.7
73.02901	0.7
79.05483	4.0
80.05006	0.5
81.03398	0.8
81.07053	6.1
82.80331	0.5
83.04953	1.0
83.08617	1.0
83.68823	0.5
85.02888	1.0
85.06530	0.7
89.95824	0.5
91.05469	4.2
92.05005	2.5
93.07031	4.1
94.06555	1.0
95.04940	1.4
95.08589	2.5
97.02857	0.6
97.06519	1.4
98.97562	1.9
103.05436	0.6
105.03390	0.9
105.07033	3.3
107.04966	3.4
107.08584	1.9
108.08060	0.9
109.06530	0.5
109.10137	1.8
110.06011	0.5
111.04479	0.6
115.05423	0.7
116.98617	1.2
117.06992	1.3
118.06566	0.7
119.04955	0.6
119.08547	1.3
120.04465	2.3
121.02834	2.3
121.06519	1.3
121.10117	1.9
122.06021	2.3
123.04443	0.5
123.11715	0.7
128.06200	0.7
129.06987	1.2
131.08577	1.0
133.06546	0.5
133.10114	2.2
134.05992	0.7
134.99658	0.9
135.11652	1.0
135.94434	0.5
136.07559	2.1
141.06932	1.1
143.07300	0.7
143.08528	0.6
144.08057	1.1
145.10091	1.1
146.06000	0.7
147.08047	0.5
147.11644	0.5
148.03931	4.5
149.01155	0.7
151.03935	0.6
151.11179	0.6
152.06134	0.6
153.06934	1.0
154.06467	1.3
155.08614	0.8
157.10139	0.7
158.09633	1.0
158.97638	4.2
158.99594	1.1
159.07983	0.6
159.09167	0.8
159.11652	1.6
160.07524	1.2
161.07120	0.8
162.05499	1.8
163.11147	1.4
165.06987	1.9
166.04982	3.0
167.03410	1.3
167.07285	2.3
167.08554	1.1
168.08109	2.0
169.07597	1.0
169.08870	1.3
169.10120	0.5
170.08371	2.3
170.09677	1.2
172.07555	0.8
173.07072	1.3
177.00708	1.5
177.12700	0.6
179.03262	1.0
181.06476	0.6
181.12292	0.5
182.06027	0.7
182.09615	3.8
183.09192	3.7
183.13727	0.6
184.07573	1.0
184.09914	3.5
184.11270	1.2
185.07068	0.7
185.10721	1.5
186.09076	1.5
187.08659	3.8
196.07550	1.2
197.06932	2.8
197.08585	1.0
198.07735	5.6
198.09262	1.4
199.08562	1.0
199.12329	5.8
200.10616	0.7
201.10263	0.7
202.10933	0.9
203.11781	1.1
209.10684	1.6
210.09109	7.2
211.08583	6.6
212.09242	12.7
213.10222	7.4
214.08592	1.5
215.08168	1.1
219.01712	1.1
223.08617	1.5
225.06500	3.6
225.10188	1.5
226.07329	6.1
226.10928	1.1
227.08165	1.4
227.11761	28.0
228.10167	1.2
231.11234	0.7
237.10245	2.5
238.08604	2.1
239.08076	3.3
240.08885	15.1
241.09698	25.5
253.09654	1.1
254.08191	0.7
254.10612	0.7
255.11261	100.0
256.11707	1.5
257.12936	3.0
258.05206	2.5
259.10730	8.8
269.09668	0.6
269.17365	0.7
273.12317	1.0
283.10730	39.3
286.04703	2.1
287.10367	0.8
301.06894	24.1
301.11768	21.3
301.15033	0.7
301.21741	0.7
301.24924	1.4
302.07376	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0704
Annotation	Diosmetin
Peak:m/z	Relative Intensity
50.01598	0.1
50.10458	0.1
50.96736	0.1
51.02367	0.1
55.01847	0.1
56.96544	0.1
57.03411	0.2
62.12289	0.1
65.03916	0.3
65.93274	0.1
67.01839	0.3
67.05476	0.3
68.99786	0.2
69.03408	0.1
69.07034	0.1
69.51957	0.5
71.04970	0.1
78.79175	0.1
79.01842	0.1
79.05477	0.4
80.02625	0.1
81.03390	0.1
81.07019	0.3
82.83412	0.1
83.04952	0.1
83.08626	0.1
87.82906	0.1
91.05465	0.2
93.03374	0.1
93.07005	0.3
94.04182	0.2
95.04966	0.9
95.08595	0.1
96.59519	0.1
97.02850	0.1
98.97548	0.1
103.05473	0.1
105.03362	0.7
105.07043	0.1
107.04941	5.7
107.08571	0.2
109.10165	0.1
111.04461	0.5
115.05464	0.1
116.98586	0.1
118.04161	0.5
119.04866	0.1
121.02851	5.3
121.10094	0.1
123.00765	0.5
123.04396	0.8
124.01563	2.2
124.05191	0.1
125.02341	0.6
128.06169	0.1
129.03357	0.1
133.02855	0.6
134.03622	0.8
135.04358	0.3
135.11606	0.1
137.02283	0.1
139.03871	0.2
141.05475	0.4
141.06921	0.1
145.02794	0.1
145.06450	0.2
147.04381	0.6
148.03972	0.1
149.01208	0.1
151.03880	1.6
152.06200	0.1
153.06995	0.1
156.05688	0.1
157.06444	0.2
163.11154	0.2
166.04953	0.1
167.03387	6.1
168.05711	0.2
169.06425	0.1
171.04398	0.1
173.06001	0.1
179.03375	2.0
180.03906	0.1
184.05179	0.7
185.04578	0.1
185.05855	0.4
189.09035	0.1
191.03369	0.1
195.04387	0.1
197.04448	0.8
197.06006	0.2
199.07571	0.5
201.05447	0.1
202.06232	0.2
203.03415	0.2
203.07088	0.1
208.03670	0.1
211.07452	0.2
212.04662	2.2
213.05327	0.2
214.06241	0.1
217.08606	0.2
222.26813	0.1
227.07005	2.0
227.12727	0.3
229.04924	0.3
230.05722	0.4
231.06516	0.1
240.04137	0.3
241.04930	0.6
245.08127	0.9
255.06500	0.9
257.04446	1.9
258.05209	14.4
259.05594	0.5
259.10855	0.1
268.03656	0.2
269.04498	0.1
272.06766	1.1
273.07504	0.6
277.54843	0.1
283.05975	0.2
286.04684	7.3
287.05234	0.3
301.07022	100.0
302.04358	0.2
302.07355	3.5
307.69897	0.1
317.06506	0.1
318.06793	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	301.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.1
55.01871	0.1
55.05497	0.3
56.05010	0.2
56.73644	0.1
56.96543	0.3
57.03421	0.2
65.03939	0.4
67.01845	0.3
67.05498	0.6
68.99779	0.2
69.03422	0.2
69.07047	0.3
70.06587	0.2
70.09574	0.2
70.09967	0.2
71.04971	0.1
74.47020	0.1
79.05481	0.7
81.03447	0.2
81.07044	0.5
83.04948	0.1
84.08134	0.1
91.05475	0.3
93.07021	0.3
94.04178	0.1
95.01271	0.1
95.04958	0.8
95.08597	0.2
96.01554	0.1
97.10139	0.1
98.06033	0.1
98.20808	0.1
98.97594	0.2
102.05497	0.2
103.05466	0.2
105.03371	0.4
105.07003	0.2
107.04945	6.5
107.08565	0.2
108.08128	0.1
109.10143	0.1
111.04427	0.5
115.05454	0.1
117.07009	0.2
118.04137	0.5
119.08574	0.2
119.50522	0.1
121.02861	4.8
121.10125	0.3
122.05985	0.1
123.00792	0.4
123.04440	0.8
124.01572	2.1
124.05231	0.1
125.02341	0.7
128.06209	0.2
129.06941	0.1
130.06512	0.5
131.00150	0.1
131.08554	0.1
132.08087	0.2
133.02844	0.7
133.06453	0.1
134.03648	0.6
135.04408	0.2
139.03899	0.1
141.05461	0.5
144.08104	0.2
146.05994	0.2
147.04472	0.5
148.03897	0.2
149.01201	0.3
151.03891	1.3
153.06972	0.1
156.05640	0.1
157.06467	0.2
158.06081	0.1
158.97627	0.4
161.05936	0.1
162.13268	0.1
166.05008	0.1
167.03395	6.0
168.05580	0.2
177.00682	0.2
179.03400	1.7
180.10162	0.5
184.05157	0.7
184.11133	0.2
185.05937	0.2
186.09145	0.2
195.04355	0.1
197.04404	0.9
197.05934	0.2
199.07520	0.6
200.10649	0.1
201.69666	0.1
203.03477	0.1
211.07445	0.1
212.04663	2.2
212.10703	0.2
213.05324	0.2
217.08582	0.2
220.10399	0.3
227.03621	0.1
227.06990	1.7
229.04938	0.2
230.05733	0.2
239.15416	0.2
240.04137	0.4
241.04852	0.6
243.06458	0.2
244.09544	0.2
245.08173	0.8
252.61142	0.1
255.06497	0.8
255.11330	0.2
255.15063	0.1
257.04462	1.5
258.05222	13.5
259.05609	0.3
259.10840	0.1
272.06757	1.2
273.07547	0.5
283.05878	0.1
286.04688	6.9
287.05005	0.3
301.07031	100.0
302.07401	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	301.0703
Annotation	Diosmetin
Peak:m/z	Relative Intensity
51.23689	0.1
55.01867	0.1
57.85941	0.1
60.45295	0.1
61.71576	0.1
65.03923	0.2
67.01865	0.2
67.05489	0.2
68.99809	0.1
69.03408	0.1
69.07075	0.1
69.32227	0.5
69.32632	0.2
79.05473	0.5
80.02619	0.1
81.07053	0.2
91.05476	0.4
93.03411	0.1
93.07030	0.1
94.04169	0.1
95.04962	1.0
96.02101	0.1
103.05447	0.2
105.03369	0.6
107.04945	5.4
108.05724	0.2
111.04429	0.5
118.04143	0.5
119.08524	0.1
121.02859	4.7
121.03833	0.2
122.03184	0.1
123.00758	0.7
123.04420	0.8
124.00661	0.1
124.01567	2.1
125.02391	0.8
128.06255	0.1
129.03313	0.1
130.06541	0.2
131.08556	0.1
132.04460	0.1
133.02856	0.6
134.03632	0.8
135.04395	0.3
137.02357	0.1
139.03891	0.2
141.01836	0.1
141.05452	0.4
141.06953	0.1
147.04413	0.6
151.03896	1.5
156.05725	0.1
157.06461	0.2
158.06018	0.2
158.97630	0.1
160.85208	0.1
160.97394	0.1
167.03391	5.9
168.03712	0.1
168.05649	0.2
169.06476	0.1
171.04399	0.2
171.08003	0.1
172.07393	0.1
175.07487	0.1
175.08772	0.1
179.03384	2.0
179.04892	0.1
180.10223	0.1
184.05179	0.8
185.04414	0.1
185.05968	0.3
195.04453	0.1
197.04431	0.8
197.06010	0.2
199.07538	0.5
202.06224	0.3
203.03304	0.1
211.07433	0.1
212.04654	2.1
212.06645	0.1
213.05331	0.2
217.08609	0.2
227.07030	1.7
229.04866	0.1
230.05638	0.2
239.03566	0.1
240.04146	0.3
241.04871	0.5
244.09625	0.1
245.08099	0.8
245.96098	0.1
255.06470	0.9
255.11084	0.1
255.14851	0.1
257.04434	1.7
258.05222	14.0
259.05609	0.4
266.29810	0.1
268.03714	0.1
272.06778	1.2
273.07587	0.6
283.06006	0.2
286.04684	7.5
287.04987	0.2
300.06128	0.1
301.07031	100.0
302.07364	3.8
309.91025	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	301.0341
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
55.01855	2.1
55.05498	1.3
57.03436	1.2
65.03927	2.0
67.01852	1.5
67.05504	3.8
68.99431	0.8
68.99788	10.6
69.03430	0.6
69.07059	1.3
70.04065	1.9
70.06592	3.5
71.04978	0.8
71.13752	1.7
72.93780	1.9
76.40994	0.5
79.05482	3.2
81.03416	1.1
81.07040	2.7
83.04972	2.3
83.08612	0.9
83.65092	0.6
85.02901	0.7
86.09695	0.6
90.94823	1.0
91.05470	3.0
93.03394	1.1
93.07016	3.7
95.04958	1.4
95.08579	1.2
97.06536	0.8
103.05453	1.9
105.03384	1.3
105.07008	2.7
106.84484	0.6
107.04976	3.1
107.08568	1.7
109.02853	1.9
109.10144	1.3
111.00761	0.7
111.04419	2.2
115.05423	2.9
117.07023	1.1
119.04942	1.0
119.08582	1.4
121.02858	1.8
121.06503	3.7
121.10119	2.4
125.09570	0.8
131.08557	0.8
133.02835	1.0
133.06491	2.4
135.11697	1.1
137.02307	1.9
145.06410	0.8
145.10083	1.7
147.03354	0.8
147.04346	3.4
149.05937	1.1
153.01817	3.6
153.12750	0.8
161.05965	4.3
163.11128	2.4
167.03377	1.1
171.04382	4.2
175.03900	2.1
177.05482	1.4
177.50111	0.6
179.03403	0.9
181.12242	2.6
189.03889	1.1
189.05472	12.0
191.10625	2.0
193.01332	0.9
199.03899	1.8
201.02188	0.7
203.03371	4.5
209.11702	1.2
216.04153	0.8
217.04950	51.9
227.03593	4.5
227.12770	2.0
229.17223	0.6
231.02858	1.8
245.04453	49.0
245.14014	0.8
246.04834	1.2
255.02953	1.9
255.11313	0.8
257.04660	1.7
258.05197	1.9
259.11002	1.0
265.05234	2.2
273.03918	54.7
274.04425	1.1
275.05707	4.7
283.03076	1.0
283.06232	8.1
286.04645	1.4
300.21680	2.6
301.03384	100.0
301.07059	25.0
301.16177	2.6
301.21979	4.3
302.03845	2.5
306.07690	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1595
Annotation	Norarmepavine
Peak:m/z	Relative Intensity
58.45505	0.7
71.32986	1.1
79.05511	1.7
91.05479	0.8
95.04971	1.6
107.04958	100.0
109.95773	0.7
115.05479	0.9
117.07000	1.4
121.06490	2.7
128.06165	0.9
131.04955	2.0
136.05215	0.9
138.05524	1.1
144.05615	1.4
145.06482	9.9
151.07541	6.5
158.07263	3.9
159.08115	0.9
165.09035	3.5
174.06764	6.2
176.08363	1.7
177.09148	2.7
180.10266	0.8
189.09109	14.3
189.10701	0.8
191.08717	0.8
209.09633	1.5
225.09145	1.1
237.09122	5.1
251.10608	1.1
252.11462	9.1
253.08698	1.3
268.10892	6.2
269.88260	0.7
277.16254	0.8
283.13287	40.5
284.13690	1.2
298.10449	0.9
300.15933	23.9
301.16501	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.3
55.01862	3.5
55.05506	17.5
56.05039	10.0
57.68054	1.8
58.06590	4.1
66.02419	1.9
67.05503	18.2
68.05000	3.2
69.07048	7.2
70.06589	24.7
70.86400	2.3
70.86740	3.9
71.04982	8.7
72.04498	2.8
79.05486	16.0
80.05003	8.3
81.03419	27.7
81.07050	28.3
82.06579	15.5
83.04984	11.7
83.08617	11.2
84.04498	3.2
84.08153	4.1
85.02901	2.9
86.09679	4.3
90.05552	28.3
91.05469	21.3
93.07040	20.1
94.06555	7.6
95.04961	10.5
95.08594	16.1
96.08114	3.8
97.02869	1.9
97.06526	5.0
97.10159	2.6
98.06025	3.6
100.07579	2.7
105.07019	16.0
106.06514	2.4
107.04932	4.2
107.08559	11.1
108.08096	4.2
108.08911	2.3
109.06523	1.9
109.10126	4.5
110.09641	1.8
111.08072	6.8
116.07079	3.0
119.04926	2.2
119.08603	10.0
121.06469	3.2
121.10134	11.1
123.08055	2.1
123.11718	3.0
124.07600	2.1
125.09628	2.0
128.07098	3.9
129.06998	6.5
131.08589	8.7
133.10118	8.2
137.09576	2.4
138.12733	8.3
140.07008	2.4
144.06543	5.5
147.11641	10.4
148.11201	2.3
149.09616	10.1
152.96378	1.8
157.10101	8.7
164.14400	4.5
167.10649	2.7
175.11145	9.9
182.15405	7.5
184.13316	3.0
192.13835	7.8
193.12228	34.2
196.13135	2.3
208.16917	4.1
210.14877	100.0
211.13272	52.4
212.16466	5.5
216.01077	2.2
218.15361	4.3
226.17900	8.9
228.15929	58.2
236.16374	15.0
238.14326	6.6
254.17485	40.2
256.15402	30.5
272.18579	3.6
282.16959	10.1
300.18066	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1593
Annotation	Norarmepavine
Peak:m/z	Relative Intensity
53.03937	1.5
54.58646	0.9
55.05512	2.1
56.96557	2.6
57.07069	1.6
67.05489	2.0
70.02943	1.7
70.04076	3.0
70.06585	2.7
71.59132	1.3
73.75769	0.9
79.05492	8.8
81.07059	22.4
89.18085	1.0
91.04910	1.0
91.05482	20.4
93.07019	2.3
95.04967	2.5
95.08605	1.5
96.04527	1.4
96.05235	1.4
103.05458	6.4
105.07039	4.0
107.04958	100.0
109.06516	8.9
114.09164	1.7
115.05448	7.4
117.07014	9.0
120.08128	3.0
121.06511	3.1
122.06018	1.8
123.08064	1.1
128.06250	1.6
129.07008	3.4
130.06523	4.5
131.04907	3.2
132.10179	3.3
136.05196	1.5
143.08556	2.7
144.05679	1.1
144.08089	15.6
145.06493	16.3
146.07280	1.3
146.09656	1.7
151.07545	6.7
153.66997	1.2
155.06094	1.7
158.07249	2.8
159.04437	2.0
160.14914	1.2
161.05989	1.7
162.09094	1.2
165.09132	3.5
172.07584	16.1
172.95062	1.0
174.06749	6.6
177.09151	2.7
185.13222	1.5
189.09125	14.3
190.08569	2.2
192.10263	2.6
209.09579	1.5
212.25809	1.1
218.08141	9.6
237.09126	5.2
251.10712	1.1
252.11414	7.7
254.15425	7.9
268.11035	7.8
269.11523	1.2
283.13300	40.5
284.13837	1.4
288.44687	1.1
295.08511	4.4
300.15933	65.4
300.28949	17.2
301.06931	2.5
301.16486	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	300.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.9
55.01860	0.5
57.03426	0.5
60.04503	0.3
61.02914	0.5
69.03415	1.2
70.06576	0.4
71.59538	0.4
73.02917	0.3
75.29848	0.2
81.03417	0.4
81.11550	0.2
85.02899	3.8
87.14538	0.2
91.05471	3.7
93.07033	6.8
95.04966	1.6
96.06862	0.4
97.02872	0.5
97.84505	0.2
103.05452	4.0
103.92226	0.2
105.04497	0.4
106.04011	0.5
107.04939	0.9
109.02859	0.4
109.05129	0.6
109.07619	0.5
121.06486	100.0
122.06826	1.5
123.04403	0.3
123.06609	0.5
126.10255	0.3
127.03894	0.8
133.05084	0.9
137.05952	0.3
138.09119	6.0
140.53320	0.2
145.04916	0.5
150.07776	0.3
151.06120	4.0
168.08791	4.7
168.10225	0.3
170.09250	0.5
178.07091	0.5
227.65942	0.2
268.16550	0.6
282.13248	1.1
300.04797	0.8
300.13528	2.5
300.19263	0.8
301.14148	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
53.36122	0.3
55.01859	0.5
56.96546	0.7
57.03428	0.4
61.02920	0.5
65.98591	0.3
68.05016	0.5
69.03441	1.4
70.06574	0.6
70.64223	0.8
72.81751	0.2
74.06003	0.3
77.03938	0.3
80.05025	0.4
81.03426	0.4
85.02900	3.3
86.06081	0.3
86.09698	0.5
91.05470	4.0
93.07039	7.0
95.04964	2.0
97.02876	0.9
98.06042	0.6
103.05467	4.6
105.04510	0.4
107.04954	4.0
109.02865	0.5
109.84802	0.2
114.05545	0.7
121.06499	100.0
122.06820	1.4
123.04421	3.0
127.03911	0.9
132.06544	0.9
134.08102	0.4
136.06223	0.4
138.09125	5.8
142.04974	0.3
158.08141	0.6
160.06334	0.4
162.07565	0.3
176.09229	0.6
178.07106	4.7
180.10289	0.3
206.07059	0.4
224.08060	0.8
233.94818	0.3
282.13400	2.3
286.07849	0.3
300.11008	0.5
300.14240	2.1
319.15549	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.123
Annotation	(-)-Cereolactam
Peak:m/z	Relative Intensity
51.57737	0.2
55.01871	0.3
55.05508	0.3
67.05491	0.6
69.03395	0.4
70.06589	10.2
70.88898	0.6
72.08150	0.6
79.05479	1.0
81.03407	0.5
81.07033	0.9
84.08142	0.4
85.02924	0.4
86.09687	0.8
91.05473	0.5
93.07013	0.5
95.04991	0.4
95.08591	0.5
97.02859	0.3
97.06494	0.4
98.97581	0.5
103.05447	1.1
105.07022	0.5
107.04945	2.7
107.08540	0.4
108.95890	0.4
109.10175	0.4
113.92790	0.3
120.04457	0.6
121.02888	0.3
121.06519	0.5
122.09596	0.4
125.01539	1.6
131.04933	0.6
136.06133	0.6
138.25169	0.3
142.02126	0.3
144.05064	0.7
146.06021	0.4
152.10777	0.7
158.97598	0.7
165.06985	1.0
177.05731	0.4
192.08086	2.7
194.04799	2.0
196.87799	0.3
199.06252	4.3
200.07068	0.4
209.04732	0.6
210.05473	2.1
210.09129	0.7
211.07669	0.4
215.10278	0.4
220.07613	1.2
223.06326	0.8
225.07721	0.4
226.08626	0.9
227.05708	1.8
228.10226	1.5
229.08554	0.7
231.05687	0.7
238.08652	1.2
239.09442	0.9
240.06564	0.8
241.07275	3.2
241.09244	0.3
243.08965	1.6
245.04713	0.3
254.11761	1.4
255.08965	0.5
256.09677	58.4
257.10187	0.9
259.10794	0.4
267.08945	1.1
272.12796	3.1
282.04816	0.5
282.11230	4.5
282.17245	0.3
282.20615	0.7
295.11380	0.6
300.12289	100.0
301.06976	0.5
301.12744	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13519	1.1
58.00086	0.9
61.03439	1.1
64.00053	0.9
67.63971	1.0
68.03649	0.9
70.06577	2.0
71.13049	1.9
75.75089	1.1
86.09681	1.9
107.04954	100.0
111.95707	0.9
112.44685	1.0
120.04491	1.6
120.90796	1.1
136.06166	4.9
191.67615	1.1
283.13275	2.3
300.10730	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	300.1079
Annotation	anthraniloyl-O-glucose
Peak:m/z	Relative Intensity
53.03925	1.7
55.01870	2.5
55.05503	1.7
56.05024	4.2
56.96564	2.4
57.03425	4.6
58.78408	1.0
60.04507	1.6
61.01149	1.1
61.02916	2.6
65.03928	2.8
69.03421	12.6
69.07053	3.5
70.06588	41.7
71.06924	1.9
71.57614	1.3
72.08150	14.7
73.02917	2.5
74.06071	3.8
77.87102	1.2
79.05491	2.6
81.03414	4.9
81.07040	1.8
83.06102	3.9
84.04506	10.5
84.08140	18.8
85.02898	38.2
85.08483	1.4
86.06055	1.5
86.09700	26.8
88.03989	1.6
91.05471	16.3
92.04992	5.8
92.05777	1.3
95.04955	2.7
95.08585	1.5
95.21061	1.1
97.02898	9.7
99.04427	2.2
102.05550	1.6
103.03942	2.7
103.05443	1.7
104.04977	2.2
104.10741	1.7
105.07055	1.9
106.06580	2.2
106.07330	1.4
107.04951	20.1
108.05287	2.7
109.02878	3.2
110.07164	7.8
112.08705	1.2
112.11264	2.1
116.07076	2.7
119.04965	3.1
120.04460	100.0
120.08134	3.8
127.03881	7.4
129.06519	1.5
129.10246	6.8
130.05028	1.4
130.08702	1.5
132.04445	14.1
133.06477	4.8
134.06003	12.4
134.06862	2.6
134.99612	1.3
136.06174	3.1
137.05937	2.8
138.05501	34.2
138.06561	1.2
144.04448	3.6
145.04929	3.0
146.06058	1.8
147.04402	4.1
150.05464	3.5
156.07762	2.1
162.05560	9.4
170.06035	3.9
172.07556	1.9
174.05489	1.9
175.11890	2.7
180.06552	5.3
184.07358	3.0
186.05524	1.7
198.05505	24.0
198.98831	1.1
200.07042	1.9
205.64772	1.1
213.08855	1.4
216.06584	2.5
228.06552	3.0
238.09218	1.7
246.07596	4.8
249.67400	2.3
264.08600	8.0
269.18921	1.2
283.13290	3.3
300.05603	1.2
300.15805	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	300.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	35.1
58.66642	2.6
70.06582	17.5
71.56596	4.2
72.08144	6.1
83.32592	2.4
84.04485	3.9
84.08118	3.5
86.09709	3.6
87.75182	2.8
89.62975	3.3
90.94814	2.9
91.05497	3.6
91.69542	2.5
92.99638	2.5
97.02891	3.5
107.04947	100.0
110.07142	3.6
120.04433	4.1
121.06493	9.9
123.04436	2.6
129.10295	2.5
130.35121	2.5
136.06186	45.9
138.05479	4.3
157.84978	2.4
163.00636	5.8
171.07674	3.1
178.08662	2.9
181.01714	25.5
185.27130	2.6
187.10776	6.3
199.02818	10.7
252.07251	5.8
258.94241	2.9
268.00128	2.6
276.95105	4.2
294.96115	20.2
296.57608	2.5
300.10605	4.5
300.15518	3.9
301.12680	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01231	0.5
53.87931	0.4
56.96563	100.0
70.06594	7.5
70.71967	1.1
70.72308	0.7
72.08170	1.0
72.40146	0.5
74.97634	2.1
80.26249	0.5
85.02895	1.3
86.09693	1.1
88.93744	2.2
93.07016	0.6
98.09696	0.9
103.05498	0.8
107.04957	7.3
112.07596	2.6
120.04482	1.0
121.06493	16.4
132.28487	0.5
136.06136	1.3
138.09105	1.0
140.07060	1.6
156.15044	0.5
163.00639	10.2
181.01717	88.0
182.02019	1.0
187.10791	1.7
188.91940	1.3
199.02780	35.0
204.03337	3.3
206.93173	2.4
212.98880	6.1
215.00450	0.7
222.04367	0.9
224.94064	0.9
230.99988	2.7
258.94168	1.7
276.95071	17.7
276.98041	0.9
294.96158	69.1
295.96426	1.2
299.96698	1.9
300.18463	0.6
308.97632	0.7
312.97174	5.8
317.97635	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	300.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.3
55.02983	0.2
57.03425	0.5
60.02132	0.2
60.04522	0.5
61.02917	0.3
64.59753	0.2
69.85256	1.1
70.06602	1.2
71.01357	1.4
72.08155	0.4
73.02900	0.5
76.37057	0.2
84.04487	0.4
84.08121	0.7
85.02895	0.4
86.09716	0.2
94.04057	0.5
96.05605	0.3
97.04034	0.2
97.05131	0.3
98.03550	0.2
98.21486	0.3
106.04005	0.5
107.04950	6.3
109.05145	1.0
110.03526	0.4
113.06391	0.2
116.18170	0.2
119.03541	0.9
123.06666	0.8
124.05070	0.3
125.04613	0.6
125.06992	0.4
126.07802	0.2
127.06143	0.6
128.04619	0.3
133.05109	1.2
135.03030	0.3
135.05441	0.4
136.06183	100.0
137.04601	1.3
137.06639	0.9
138.06743	0.2
138.07759	0.6
140.04665	0.2
142.07246	0.3
145.06468	0.5
147.26337	0.2
148.06184	0.9
149.06967	0.5
150.07796	1.2
151.06169	3.8
151.07436	0.5
152.05669	0.8
153.04073	0.3
154.07256	0.5
155.05888	0.2
158.07295	0.3
164.05669	6.6
165.09158	0.2
166.07262	0.5
168.05205	0.6
168.07460	0.4
168.08826	6.1
170.06729	0.2
174.06808	0.3
177.40030	0.2
178.07245	19.5
179.07603	0.3
180.05147	0.5
189.09122	0.8
190.07233	1.5
194.06807	0.4
220.08286	0.4
229.19295	0.2
237.09120	0.3
252.07265	3.3
252.11374	0.5
254.08968	0.6
255.05962	0.5
266.08856	0.5
268.11035	0.4
269.07471	0.3
282.08420	1.3
283.10437	0.3
283.13272	2.7
300.09406	3.7
300.12997	2.7
300.16003	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2579
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
52.78335	1.0
55.05513	10.8
57.03158	1.1
57.03439	32.1
57.07076	78.9
60.31398	1.1
61.16475	1.1
67.05505	19.2
69.07066	21.1
69.35020	5.2
69.35449	5.4
71.08633	52.5
79.05481	2.8
81.07057	25.3
83.04990	1.1
83.08622	13.8
85.06523	1.2
85.10184	29.4
89.06026	4.3
91.05461	1.7
93.07037	2.1
95.08611	34.0
97.10166	6.5
99.11728	1.6
103.07565	4.5
107.04958	29.3
109.10148	15.5
111.11716	3.8
117.06980	1.6
117.09145	1.8
123.11733	6.2
131.08560	2.2
137.13319	2.3
145.06461	3.5
145.12032	1.2
151.07530	3.2
151.14832	1.9
165.75793	1.0
174.06755	2.3
177.07314	1.3
189.09093	3.7
193.22853	1.1
206.70161	1.2
225.22177	7.0
237.09058	1.2
243.23192	8.9
252.11490	3.1
255.12064	4.1
267.12228	2.4
268.10822	2.7
269.09894	1.5
283.11258	4.4
283.13330	9.9
284.12494	1.8
284.26013	1.4
299.14700	32.4
299.25824	100.0
300.15988	8.0
300.26389	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.258
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
57.07064	91.7
64.37920	23.5
67.05499	44.2
69.07077	39.6
69.65789	100.0
69.66199	65.0
71.08626	81.8
79.05499	38.4
81.07065	54.9
81.68291	25.1
83.08610	49.4
85.43661	26.6
95.08570	31.1
97.10151	58.4
98.20769	28.0
109.10188	27.5
132.19629	29.4
173.97508	24.2
267.06342	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	299.258
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
55.05513	12.7
55.11802	1.0
57.03156	1.4
57.03441	33.4
57.07077	90.4
67.05504	21.0
69.07068	20.5
69.48526	6.8
69.48940	2.1
71.04985	1.4
71.08633	56.8
72.06113	1.0
72.45256	0.9
75.04491	1.4
79.05491	2.9
81.07058	27.3
83.05006	1.3
83.08620	16.3
85.06541	1.7
85.10184	32.8
89.06040	5.0
91.05477	2.0
93.07053	2.6
95.08609	40.6
97.06570	1.2
97.10178	6.1
99.11780	1.0
103.07584	4.6
107.04949	9.1
107.08606	2.4
109.10157	17.5
111.11699	3.3
117.07006	2.0
117.09190	1.3
118.98911	1.0
121.08632	1.3
121.10167	1.2
123.11662	6.5
125.13290	1.9
131.08574	3.1
137.13257	2.6
145.06543	1.5
145.10146	3.8
151.14836	1.9
159.11769	3.2
173.13249	2.5
193.69800	1.3
224.50110	1.2
225.22105	6.3
243.23187	9.9
255.12073	1.3
258.54352	1.0
261.24414	1.2
278.45105	1.1
281.26962	1.7
283.13538	1.7
284.12231	1.5
299.14752	15.2
299.25851	100.0
300.15985	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	299.258
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
52.31523	0.8
53.00296	1.1
55.05510	12.3
57.03152	1.2
57.03437	30.0
57.07076	81.5
59.10342	1.2
67.05188	1.0
67.05506	19.1
69.07065	20.6
71.04975	1.3
71.08631	51.4
71.43777	2.0
79.05482	2.5
81.07061	22.3
83.08617	13.3
85.10178	27.2
86.17797	1.1
89.06028	5.4
91.05476	1.5
93.07019	1.7
95.08604	32.1
97.10175	6.1
99.11695	1.8
101.06052	0.9
103.07560	4.4
107.04932	2.0
109.10155	15.4
111.11707	4.0
117.07025	1.4
117.09076	1.1
123.11710	6.5
125.13286	1.7
131.08542	2.5
137.13240	2.8
143.08569	1.0
145.10141	2.3
159.11662	1.2
225.22131	4.8
243.23207	8.9
261.24261	1.4
281.27124	0.9
296.89545	1.0
299.14706	2.0
299.25821	100.0
300.26093	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2003
Annotation	Triptobenzene D
Peak:m/z	Relative Intensity
50.48541	0.6
53.03929	1.1
54.23322	0.7
55.05501	4.3
55.93512	3.3
56.94294	1.2
57.03413	1.1
57.07064	1.6
65.03928	0.9
67.05497	5.7
69.03413	2.2
69.07057	2.3
69.73043	0.7
69.96251	3.7
70.04041	1.4
70.95861	4.3
71.04975	2.3
72.93774	8.1
79.05487	7.2
81.03416	1.1
81.07058	6.6
83.04980	2.1
83.08598	1.9
88.96898	1.3
90.94836	7.2
91.05473	26.8
92.85342	0.8
93.07030	6.7
95.04967	2.7
95.08595	6.6
97.06541	0.8
98.21452	0.9
98.97530	1.1
103.05466	1.7
105.07022	16.9
107.04929	3.0
107.08579	7.3
108.05255	1.1
108.95879	1.8
109.06495	2.2
109.10127	2.1
111.08065	0.9
115.05432	2.4
116.06232	7.8
116.96317	1.5
117.07015	2.3
119.04933	8.6
119.08569	14.2
121.06492	1.9
121.10133	6.8
123.08057	2.2
125.09619	2.1
126.98405	1.1
128.06232	1.0
128.96356	0.8
129.07005	8.8
130.97903	1.1
131.08556	41.7
131.98727	1.0
132.95851	1.0
133.06465	1.2
133.10109	3.3
134.97345	1.4
135.08028	1.8
135.11609	0.9
136.95293	0.8
138.78818	0.7
138.98381	1.7
140.99916	0.8
142.07759	2.2
142.97897	1.1
143.08521	3.2
144.99416	1.3
145.10095	2.9
146.97368	1.8
147.07947	1.1
147.11662	1.6
148.98972	1.5
149.09595	6.1
150.96733	1.2
151.02039	4.5
155.08522	2.4
156.09349	2.0
157.10127	5.6
159.00977	1.2
159.08034	100.0
159.11671	2.6
160.08472	1.1
161.09567	2.3
161.13264	1.7
162.96895	1.5
163.11185	1.5
164.99976	1.1
166.97891	1.4
167.10596	1.1
168.09229	0.8
169.10117	2.4
171.11647	4.4
173.09584	1.4
175.11153	1.9
179.05099	1.7
181.10071	0.9
183.11690	3.0
185.09529	1.0
189.12709	4.0
192.93694	0.9
193.10115	1.8
194.93449	1.5
195.11603	1.2
197.09525	1.0
197.13185	3.5
199.11182	5.2
199.14767	1.9
201.12752	2.5
206.10860	1.2
207.11670	1.8
209.13234	1.2
211.11168	1.5
211.14679	0.9
213.12755	1.3
215.14333	1.8
221.13255	1.3
223.14799	2.2
225.12718	4.7
229.05240	1.3
237.16238	0.8
239.14261	1.9
239.18098	1.2
240.04620	0.7
241.05193	3.0
243.13710	1.2
253.19543	1.7
255.06595	5.1
257.08173	1.0
257.19067	1.8
263.17935	4.5
267.06802	1.8
273.07813	48.8
274.08182	2.2
281.18985	22.0
282.19327	0.9
285.07837	7.6
291.08810	3.6
296.09485	3.7
297.52039	0.9
299.09314	10.4
299.20026	44.2
308.09433	1.5
317.10446	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2003
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
53.03934	2.0
55.01855	1.9
55.05515	9.3
56.96546	2.0
57.03415	1.5
57.07053	3.5
62.02118	1.5
63.87770	1.6
65.03933	1.5
67.05498	12.4
69.03419	10.6
69.07045	6.1
69.81416	4.5
69.81821	3.7
70.04054	5.1
71.04958	1.8
74.32909	1.4
79.05496	9.4
81.07041	11.6
83.04958	3.5
83.08616	8.3
91.05476	18.4
93.07037	15.9
95.04964	39.9
95.08591	10.7
97.06489	4.4
100.87083	1.5
102.88537	1.5
103.14983	1.3
104.56544	1.4
105.07023	25.6
107.04967	2.1
107.08580	20.6
109.06511	19.8
109.10124	9.7
113.09634	3.0
115.05401	3.2
117.07024	10.8
119.08570	48.8
121.06479	8.1
121.10134	12.7
123.08050	2.7
123.11691	2.0
125.09641	3.6
128.06203	3.1
129.06999	4.2
130.07767	3.8
131.08559	17.6
133.10109	14.6
135.08052	12.7
135.11679	5.4
137.06052	1.4
137.09601	7.4
141.06973	2.7
142.07761	7.0
143.08539	16.1
144.09293	2.9
145.10114	45.8
145.11264	2.2
147.08012	3.1
147.11635	5.5
149.09583	4.4
155.08513	8.8
156.09351	7.7
157.10123	19.8
158.07239	7.3
158.10898	2.3
158.97670	7.7
159.08012	5.6
159.11667	11.6
161.09613	9.4
161.13312	2.2
163.11168	3.7
165.07019	2.9
165.76961	1.5
167.08565	3.6
169.10158	8.2
170.10895	3.3
171.08025	1.8
171.11679	11.8
173.09607	15.3
173.13292	9.2
175.11156	2.5
175.14751	2.6
177.09122	2.0
179.08609	1.6
180.09294	1.9
181.10089	5.9
182.10938	4.5
183.11671	8.6
185.13251	6.8
187.11241	3.8
187.14865	2.4
189.12721	4.9
191.14345	2.6
192.32993	1.5
193.10196	2.9
194.10947	1.7
195.11659	5.7
197.09511	2.9
197.13190	13.9
199.11208	6.4
199.14783	10.4
201.12645	3.9
207.11641	3.1
209.13188	1.7
211.11238	3.7
211.14822	4.3
213.12718	5.5
213.16302	3.4
215.14287	8.0
217.15924	2.0
221.13327	1.6
223.14786	10.1
225.12708	8.1
233.13110	2.4
239.14220	3.6
239.17780	3.6
241.15933	7.7
243.13927	8.3
251.14276	2.7
253.19540	10.1
257.19012	9.8
257.81857	1.6
263.17838	1.7
269.15390	4.4
271.20667	1.7
281.18985	19.9
299.20023	100.0
299.96246	3.0
300.20419	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	299.2003
Annotation	3-Hydroxy-19-norpregna-1,3,5(10)-trien-20-one
Peak:m/z	Relative Intensity
53.03940	1.3
55.01867	1.0
55.05503	5.1
56.96548	2.9
57.03431	1.0
57.07073	2.3
59.36099	0.7
64.07978	0.7
65.03932	1.2
67.05495	5.1
69.03416	2.6
69.07057	3.4
70.04061	5.1
70.06555	3.3
70.06963	1.6
71.01348	0.7
71.05000	1.0
72.93800	0.8
79.05482	6.2
81.07041	7.1
83.04962	3.2
83.08602	4.2
91.05469	30.7
93.07024	8.1
95.04961	3.2
95.08592	7.5
97.06554	0.8
97.10174	0.9
98.97583	1.1
99.08114	0.8
103.05476	2.4
105.07022	17.2
107.04942	1.6
107.08581	8.3
109.06513	2.3
109.10137	2.8
111.04436	0.9
111.08078	1.0
115.05452	3.1
116.06232	6.8
116.98579	1.1
117.07015	3.1
119.04935	7.1
119.08560	14.0
121.06486	3.0
121.10137	7.0
122.21526	0.7
123.08054	2.3
123.11685	2.2
125.09613	3.7
128.06219	1.2
129.06990	9.5
131.08556	45.8
133.06523	1.1
133.10095	5.6
134.99644	1.1
135.08073	2.3
136.06152	0.8
137.09550	1.1
139.11095	0.9
141.06981	1.3
142.07799	2.0
143.08551	3.8
145.06488	1.0
145.10141	4.5
147.08098	1.6
147.11653	1.9
149.09592	6.4
151.07529	0.9
155.08604	1.8
156.09299	3.3
157.10104	5.5
158.97638	3.7
158.99623	0.8
159.08037	100.0
159.11676	3.1
160.08449	1.3
161.09592	3.4
161.13255	1.7
163.11133	1.5
167.08537	1.0
167.10555	1.1
169.08629	1.1
169.10095	3.1
171.11674	6.4
172.08830	0.9
173.09628	1.4
173.13239	1.6
175.11113	2.1
177.00685	0.8
181.10075	1.1
183.11655	3.3
185.09633	1.2
189.12831	3.8
193.10136	1.7
194.10818	1.2
195.11659	1.3
197.13231	5.6
199.11157	5.8
199.14809	1.7
201.12726	1.3
206.10950	1.5
207.11708	1.8
208.12160	0.8
209.13144	0.8
211.11104	1.2
211.14810	1.4
213.12743	1.3
215.14302	1.8
221.13255	1.4
223.11099	1.2
223.14795	2.0
225.12724	3.1
233.13313	1.4
237.16196	0.8
239.14258	1.2
239.17958	1.0
240.61459	0.8
243.13792	2.8
248.15582	0.9
253.19443	0.9
257.18939	3.0
263.17905	4.3
267.09021	1.2
273.07794	1.6
281.18951	22.4
285.10043	2.3
299.05655	1.0
299.14859	1.4
299.20010	42.1
299.96173	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.7
55.08511	1.7
57.07056	4.9
63.05714	1.6
67.05502	3.3
69.07049	3.1
71.08616	2.9
71.59631	2.8
73.04907	1.6
77.10301	1.7
79.05476	2.8
81.07070	16.8
82.47076	1.6
83.08640	1.7
84.82254	1.8
90.99354	1.6
91.05507	8.9
95.08616	12.4
95.18559	2.0
105.07025	2.1
107.04293	2.6
107.04955	23.7
109.10155	3.3
117.07011	1.9
119.04967	8.7
131.08499	2.1
137.13274	2.4
148.21027	1.7
155.57193	2.0
159.04398	4.4
163.03914	100.0
164.04070	2.1
179.39130	1.8
189.05548	3.7
201.05444	5.0
215.06982	5.4
254.83429	1.8
255.12297	3.2
283.11548	5.2
299.14404	28.5
299.25876	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	299.2003
Annotation	3-Methoxy-5,10-seco-5,19-cycloandrosta-1(10),2,4-trien-17-one
Peak:m/z	Relative Intensity
53.03927	2.4
55.01852	1.7
55.05501	10.5
56.96546	1.9
57.03411	1.5
57.07054	3.7
61.43618	1.7
67.05493	12.6
69.03432	7.4
69.07048	6.4
70.04070	14.7
70.78892	5.0
71.04387	1.7
71.04977	4.4
71.18797	1.5
79.05487	10.9
79.41969	1.5
81.07047	13.1
83.04964	5.6
83.08598	11.8
85.02869	1.9
85.06527	4.2
87.04449	2.3
91.05476	17.2
92.58965	1.4
93.07044	14.0
95.04962	29.7
95.08599	9.2
97.06520	7.6
103.05424	2.0
105.07027	32.1
107.04906	2.9
107.08581	17.7
109.06499	15.8
109.10155	9.2
111.08055	3.0
113.05969	1.5
113.09607	4.5
114.84756	1.7
115.05461	3.1
117.07011	13.0
119.08573	74.2
121.06492	5.9
121.10133	8.6
123.08031	4.9
123.11591	1.9
125.09593	5.8
128.06207	4.8
129.06961	5.1
130.07767	8.4
131.08575	13.5
133.10106	12.6
135.08037	17.7
135.11671	2.6
137.09592	6.4
141.06953	3.9
142.07764	5.0
143.08563	21.6
144.05740	1.8
144.09367	4.0
145.06447	1.7
145.10107	71.6
147.08055	3.4
147.11636	5.6
149.09593	3.7
153.07042	2.1
155.08557	9.6
156.09317	6.4
156.34694	1.6
157.10095	15.1
158.07263	13.1
158.10829	3.8
158.97617	2.5
159.08119	3.9
159.11673	12.5
161.09621	9.2
161.13216	1.8
163.11171	4.4
165.07098	2.0
166.07683	2.0
167.08531	4.4
168.09288	2.4
169.10149	10.1
170.10822	2.5
171.11644	11.5
172.08792	2.5
173.09618	23.4
173.13249	6.8
175.11224	2.6
177.12663	1.7
179.08575	2.0
180.09407	2.1
181.10071	7.9
182.10890	6.0
183.11711	9.1
185.09636	3.6
185.13237	6.0
187.11198	4.4
189.12787	9.5
193.10130	4.3
195.07988	2.0
195.11671	9.5
197.09538	2.6
197.13261	17.3
199.11162	7.1
199.14787	12.7
201.12703	6.0
207.11649	2.7
208.12468	4.1
208.50659	1.9
209.13213	4.3
211.11195	1.9
211.14812	5.4
213.12756	9.5
213.16414	2.3
215.14276	7.8
217.15884	4.3
223.14809	13.1
225.12720	6.5
229.15794	2.5
239.14169	2.4
239.17896	5.2
241.15866	14.2
243.13782	6.9
248.15611	1.8
253.19498	2.9
255.17375	2.1
257.19025	22.4
263.17944	4.2
271.20581	4.5
281.18976	17.1
295.08502	3.4
299.20029	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86633	3.4
53.00296	15.9
53.03935	4.7
54.97895	3.9
55.01855	6.6
55.05510	56.7
57.03431	40.9
57.03873	3.2
57.07063	3.5
59.04983	8.7
60.18473	3.6
60.50304	3.7
67.05495	40.3
69.07051	12.2
70.24725	3.3
71.01348	8.0
71.04981	6.7
71.21408	7.3
73.02872	4.3
79.05483	27.2
81.03398	18.0
81.07049	58.6
83.04971	7.3
83.08605	29.8
85.06519	5.0
91.05470	51.2
93.07038	48.3
95.04954	12.4
95.08579	11.0
97.02879	13.3
97.06493	9.4
97.10135	4.1
99.00812	59.0
103.05439	5.3
105.03349	6.0
105.07021	52.3
107.04944	17.1
107.08580	23.1
109.02863	25.9
109.06516	7.5
109.10143	14.7
109.98226	3.7
111.04434	5.7
111.08073	11.6
114.87089	3.6
115.03909	5.4
117.06989	8.8
119.08580	22.4
121.06493	18.4
121.10173	3.8
123.04462	6.9
123.11663	6.8
127.03894	9.2
129.11183	4.2
131.08588	6.1
133.06415	4.3
133.10121	100.0
135.08060	6.4
137.06029	5.2
139.07512	11.2
143.08565	13.1
147.08032	4.2
151.11168	39.5
161.09605	58.6
164.13133	4.6
165.09058	6.7
171.08060	11.4
179.10657	36.8
180.10783	4.2
183.54263	3.8
189.09074	39.2
197.11687	13.5
199.10730	3.8
207.10121	19.3
224.72719	4.2
225.11203	45.3
243.12199	6.2
299.14835	90.3
299.20029	6.2
300.24286	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	299.1278
Annotation	2-Phenylethyl ferulate
Peak:m/z	Relative Intensity
53.03928	3.4
55.01862	4.2
55.05506	12.4
56.96570	1.8
57.03428	4.3
65.03926	3.0
67.01865	9.2
67.05504	18.9
69.03410	6.8
69.07053	6.4
70.04072	1.6
70.06567	5.5
70.51965	4.8
70.52312	2.3
71.05003	2.2
72.93801	2.6
73.04013	1.3
79.05484	12.6
81.03429	2.2
81.07049	21.0
83.04974	1.7
83.08625	3.0
85.06564	2.2
87.04415	1.9
91.05476	20.4
93.07046	13.2
95.04964	77.9
95.08609	24.3
96.05331	2.0
97.02886	4.6
97.06529	4.6
99.00808	5.4
101.88803	1.4
103.05474	1.8
105.07021	11.8
107.04953	74.2
107.08592	16.2
109.02872	2.6
109.06524	11.2
109.10158	18.6
117.07018	4.6
119.08571	9.7
121.02863	4.4
121.05656	2.1
121.06496	20.6
121.10115	3.5
123.04413	1.9
123.08041	5.3
125.01556	2.2
129.06981	6.4
131.08536	3.0
133.06477	4.3
133.10118	8.7
135.04410	100.0
135.08020	5.7
136.06187	3.2
136.07494	1.7
137.05936	20.3
139.07436	1.5
141.06915	3.4
143.08527	3.6
144.09299	1.7
144.95851	2.4
145.06493	5.2
145.10123	2.7
146.05994	3.2
147.04424	2.1
147.08040	6.9
149.05977	16.3
149.09607	5.7
151.07513	1.9
151.11182	3.3
153.05470	20.2
155.08582	4.1
157.06516	1.9
157.10117	2.2
158.07253	2.2
159.04485	1.7
159.08115	9.0
161.05923	8.3
161.09573	6.5
162.96884	2.4
163.03896	64.5
163.07483	8.0
166.08783	1.6
167.03413	10.7
167.08585	2.4
169.10147	5.4
171.08031	3.3
173.05978	13.5
173.09596	2.8
174.06757	3.3
175.03949	7.5
175.07550	26.7
177.01813	6.9
177.05434	9.7
179.08533	1.6
179.10695	4.3
182.10735	1.7
183.08046	6.6
185.09645	3.5
187.07545	19.3
189.05548	3.6
189.09116	9.1
192.09300	3.2
195.08060	6.3
196.08862	2.0
197.09589	4.6
197.13272	4.2
198.06821	2.6
199.07452	2.2
201.05408	7.7
201.09099	7.7
203.06961	8.1
207.11737	4.5
210.10376	5.0
211.07608	4.1
213.09004	7.4
215.07025	22.1
215.10623	9.5
215.14145	2.6
219.06458	2.3
220.08914	1.6
225.09172	3.2
225.12836	9.3
228.11452	2.0
229.08557	7.1
229.12221	2.6
235.11261	2.4
238.09900	4.9
239.10640	2.2
241.08611	3.7
243.06541	3.1
243.10184	3.4
243.13803	41.4
245.04677	3.1
253.09680	3.1
253.12234	46.3
255.10222	2.9
257.08054	6.3
257.11890	2.3
271.10315	3.1
271.13251	60.1
272.13510	2.1
281.11691	23.8
281.16885	1.7
299.05569	8.7
299.09692	1.5
299.12662	42.2
299.24033	2.4
300.13052	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1278
Annotation	Enterolactone
Peak:m/z	Relative Intensity
55.01859	5.7
55.05510	2.0
57.03446	2.1
65.03930	2.0
69.07063	2.2
70.06602	12.8
70.83765	3.7
70.84140	4.3
72.08150	5.0
77.59823	2.1
79.05489	12.1
81.07053	4.4
84.04523	4.1
84.08147	7.7
84.50864	1.9
86.09705	8.1
91.05475	11.4
93.07049	3.0
95.04963	6.1
95.08620	2.7
103.05472	11.5
105.07030	46.3
107.04953	68.7
109.10130	2.9
110.07172	3.0
115.05488	5.0
117.07033	6.1
119.04950	2.5
120.08085	2.1
121.02870	4.0
121.06483	5.2
129.06937	2.1
131.04941	12.1
133.06491	100.0
135.04408	1.7
135.61714	1.7
136.06218	2.5
139.98680	1.9
145.06473	17.6
147.80408	1.8
149.05959	4.0
157.06464	5.2
159.08107	1.9
163.07535	2.6
169.32509	1.9
175.07515	1.8
179.08546	4.9
181.06561	2.4
182.07506	2.1
189.94730	1.9
191.08696	2.3
207.08084	3.0
209.09666	2.0
225.09099	11.6
233.09756	1.8
237.09109	11.6
239.10687	7.7
251.10716	8.1
269.11740	3.8
283.11810	2.2
299.12329	3.3
299.15268	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1278
Annotation	Enterolactone
Peak:m/z	Relative Intensity
55.01865	4.9
56.96338	1.4
56.96569	16.7
57.03429	1.9
60.04471	1.3
60.63456	1.2
61.89954	1.2
67.05495	3.5
69.03429	1.5
69.50896	10.4
77.62300	1.3
79.05482	5.0
81.07053	5.3
84.04513	1.9
84.08156	2.3
91.05468	9.4
93.07066	1.3
94.34257	1.5
94.97768	1.4
95.04960	4.5
95.08589	1.9
99.55118	1.3
103.05468	5.9
103.97962	1.3
105.07024	6.4
107.04960	100.0
107.08607	1.4
108.05286	1.9
109.10142	2.4
111.59360	1.3
115.05460	4.1
116.06245	1.5
117.07010	11.8
119.04960	4.2
121.02854	3.1
121.06511	5.3
123.04414	1.7
123.29221	1.2
128.06236	1.5
129.07005	4.3
131.04924	20.3
132.05708	2.4
133.06485	22.1
135.04433	1.5
136.06216	3.5
144.05702	3.8
145.06493	28.4
147.08099	2.3
149.06024	2.5
157.01762	2.0
157.06474	8.2
163.07524	1.9
165.06946	3.2
166.07845	3.1
169.06474	2.7
171.03331	2.0
172.95325	1.6
175.07574	4.0
177.07133	1.4
178.07800	3.2
179.08583	6.9
181.06528	3.7
182.07283	2.1
183.08043	2.2
185.04840	5.0
188.16508	1.4
189.06949	2.4
190.07759	2.3
191.08522	5.7
194.07254	9.1
195.08069	2.2
197.09622	2.2
202.07884	1.4
203.05876	4.5
206.26524	1.4
207.08081	13.7
208.08798	4.2
209.09598	4.0
210.06776	6.7
211.07477	4.2
218.07278	1.8
219.08051	4.5
220.08862	1.7
223.07614	1.6
223.11145	1.5
224.08337	1.4
225.09100	39.2
229.07416	1.8
235.07524	2.0
236.08344	2.9
237.09132	41.5
238.09541	1.8
239.10707	24.3
249.08427	2.8
250.09895	2.0
251.10667	20.9
255.10199	10.2
263.10684	3.4
267.09021	38.5
269.11737	12.9
277.04797	1.5
281.11560	5.9
285.10104	52.6
290.10693	2.2
299.12628	18.7
303.10883	1.6
308.11725	3.7
317.12823	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	299.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.9
56.96338	1.4
56.96569	16.7
57.03429	1.9
60.04471	1.3
60.63456	1.2
61.89954	1.2
67.05495	3.5
69.03429	1.5
69.50896	10.4
77.62300	1.3
79.05482	5.0
81.07053	5.3
84.04513	1.9
84.08156	2.3
91.05468	9.4
93.07066	1.3
94.34257	1.5
94.97768	1.4
95.04960	4.5
95.08589	1.9
99.55118	1.3
103.05468	5.9
103.97962	1.3
105.07024	6.4
107.04960	100.0
107.08607	1.4
108.05286	1.9
109.10142	2.4
111.59360	1.3
115.05460	4.1
116.06245	1.5
117.07010	11.8
119.04960	4.2
121.02854	3.1
121.06511	5.3
123.04414	1.7
123.29221	1.2
128.06236	1.5
129.07005	4.3
131.04924	20.3
132.05708	2.4
133.06485	22.1
135.04433	1.5
136.06216	3.5
144.05702	3.8
145.06493	28.4
147.08099	2.3
149.06024	2.5
157.01762	2.0
157.06474	8.2
163.07524	1.9
165.06946	3.2
166.07845	3.1
169.06474	2.7
171.03331	2.0
172.95325	1.6
175.07574	4.0
177.07133	1.4
178.07800	3.2
179.08583	6.9
181.06528	3.7
182.07283	2.1
183.08043	2.2
185.04840	5.0
188.16508	1.4
189.06949	2.4
190.07759	2.3
191.08522	5.7
194.07254	9.1
195.08069	2.2
197.09622	2.2
202.07884	1.4
203.05876	4.5
206.26524	1.4
207.08081	13.7
208.08798	4.2
209.09598	4.0
210.06776	6.7
211.07477	4.2
218.07278	1.8
219.08051	4.5
220.08862	1.7
223.07614	1.6
223.11145	1.5
224.08337	1.4
225.09100	39.2
229.07416	1.8
235.07524	2.0
236.08344	2.9
237.09132	41.5
238.09541	1.8
239.10707	24.3
249.08427	2.8
250.09895	2.0
251.10667	20.9
255.10199	10.2
263.10684	3.4
267.09021	38.5
269.11737	12.9
277.04797	1.5
281.11560	5.9
285.10104	52.6
290.10693	2.2
299.12628	18.7
303.10883	1.6
308.11725	3.7
317.12823	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	299.1279
Annotation	Enterolactone
Peak:m/z	Relative Intensity
53.03936	1.5
53.23425	0.9
55.01867	4.2
55.05500	1.8
56.96551	1.3
57.03433	1.9
57.07061	0.8
58.70888	0.9
65.03939	1.3
67.05504	4.4
69.58514	7.9
70.06579	2.3
72.08139	1.1
79.05504	6.3
81.03418	1.5
81.07048	2.3
84.08157	2.0
86.09728	0.9
91.05481	7.9
91.56577	1.0
93.07036	3.9
94.59689	0.9
95.04967	6.5
95.08583	1.0
97.06545	1.0
98.21474	1.8
103.05443	3.1
105.07029	9.4
107.04955	100.0
107.08603	1.1
108.05308	1.0
109.06516	2.4
109.10168	1.0
111.04440	4.2
115.05455	3.3
116.06180	1.0
117.07001	3.8
119.04933	3.3
119.08562	2.7
121.02874	23.5
121.06457	5.4
123.04436	21.4
125.36884	0.9
129.07004	3.3
131.04932	4.4
131.08559	6.1
133.06487	29.3
135.04417	2.6
141.06975	3.1
144.05692	2.2
145.06468	15.4
147.04358	1.6
147.08018	6.7
149.05977	5.5
151.07535	1.1
153.06938	1.5
157.06485	4.8
158.07227	1.0
159.08052	12.1
161.05989	12.4
161.09599	1.9
165.07010	2.7
169.06482	2.4
171.08028	6.2
175.07562	4.3
178.07822	1.3
179.08571	1.9
181.06445	2.3
182.07269	1.3
183.08058	5.4
185.09566	1.9
187.07544	1.3
189.09119	2.3
190.07771	1.1
190.96512	1.1
191.08675	1.4
193.10144	2.3
194.07285	2.0
195.08128	5.1
196.08911	1.8
197.06023	1.4
197.09642	1.5
202.07779	1.7
203.08578	2.6
205.10214	1.1
207.08078	3.9
208.08821	1.2
209.09592	5.5
210.06691	1.4
211.07617	1.6
211.11157	5.5
215.08633	1.1
219.08034	2.0
220.08841	2.0
221.09628	4.2
223.07640	3.6
223.11147	2.1
224.08371	1.1
225.09085	2.1
227.10521	1.9
233.09625	2.6
235.11230	3.1
236.08397	1.6
237.09093	4.6
239.10675	7.8
245.09595	2.2
248.08350	2.7
251.10718	9.5
253.12292	2.3
257.11755	1.5
263.10699	4.4
267.12082	1.1
269.11743	10.5
281.11536	6.0
299.12408	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	299.1278
Annotation	Enterolactone
Peak:m/z	Relative Intensity
54.07085	1.4
54.76468	1.4
55.01858	4.2
69.29418	16.2
70.06592	2.5
72.72990	1.4
77.43446	1.7
79.05489	9.2
82.96796	1.4
84.14594	1.9
91.05470	9.4
93.07005	1.7
95.04970	5.4
103.05470	10.3
105.06306	2.4
105.07027	48.9
107.04954	92.0
107.24828	1.6
115.05463	5.0
117.07013	11.2
119.04914	1.9
121.02844	4.2
121.06488	5.5
128.69653	1.5
129.06985	2.6
131.04909	21.2
132.05681	2.2
133.06488	100.0
134.06883	1.8
137.05914	1.4
139.85252	1.7
144.05670	4.4
145.06479	28.3
147.08075	1.5
149.05991	4.2
157.06439	7.9
163.07487	1.8
165.06999	2.5
167.08690	1.7
169.06372	2.6
175.07498	2.8
178.07748	2.4
179.08559	6.6
181.06465	4.2
181.10130	2.6
182.07300	2.6
190.07806	2.1
191.08543	5.7
193.10146	1.7
194.07310	5.4
195.08090	2.7
207.08047	14.7
208.08797	3.3
209.09669	3.3
210.06766	4.1
211.07594	2.9
219.08044	4.8
221.09624	1.8
223.11139	2.7
224.08304	2.1
225.09126	29.6
233.09546	2.2
236.08362	3.4
237.09108	33.1
239.10707	15.4
249.09132	2.6
251.10623	15.4
255.10155	7.7
263.10498	2.2
269.11697	10.0
281.11703	2.9
299.12738	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	299.1276
Annotation	Enterolactone
Peak:m/z	Relative Intensity
53.77846	2.8
55.01864	4.2
65.03938	3.5
67.01859	2.9
67.05507	8.2
69.03437	2.9
70.06573	2.9
70.11319	13.1
71.40898	2.4
79.05485	7.9
81.07050	4.8
91.05478	9.0
93.07037	3.3
95.04958	24.1
95.08611	7.2
103.05476	4.7
105.07024	30.5
106.55917	3.0
107.04953	100.0
107.08613	4.7
109.06518	4.5
109.10162	3.4
111.04424	4.5
115.05447	5.8
117.07032	6.2
119.04929	2.9
121.02851	10.1
121.06522	7.3
123.04525	3.2
128.07076	2.8
129.07062	5.2
130.06453	2.5
131.04936	13.1
131.74710	2.3
133.06479	78.1
135.04425	26.0
135.08131	3.3
137.05933	5.4
145.06462	21.5
147.69154	2.5
149.05968	7.9
157.06477	7.6
163.03899	19.1
163.07491	3.7
167.08441	3.1
173.05965	5.9
175.07539	10.7
177.05411	2.8
179.08580	3.8
181.10101	2.7
187.07462	3.2
189.11371	3.6
207.08055	9.9
210.06744	2.7
211.07364	3.4
215.06989	5.0
225.09109	25.5
237.09109	32.9
239.10635	15.3
243.13823	11.2
251.10699	13.4
253.12225	14.2
255.10127	6.6
269.11755	8.9
271.13290	19.5
281.11765	10.6
299.12488	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	299.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01859	2.6
57.98968	1.3
67.05508	2.3
69.77781	5.7
70.06597	4.7
72.08144	3.6
79.05483	8.6
81.07057	2.3
84.08143	3.3
86.09693	3.3
91.05471	5.1
95.04966	3.4
96.74489	1.3
103.05454	7.0
105.07035	50.7
107.04958	22.4
110.07180	2.0
115.05461	2.8
121.06495	4.2
124.89668	1.3
129.06995	1.7
131.04941	2.9
132.05754	1.4
133.06496	100.0
134.06766	2.0
136.06163	1.7
145.06493	7.5
149.05989	3.1
157.06459	3.9
170.80756	1.3
240.06248	1.4
299.14914	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1276
Annotation	Enterolactone
Peak:m/z	Relative Intensity
53.03947	0.8
55.01863	4.5
55.05487	1.1
69.45755	2.6
69.46175	4.2
70.06591	0.9
79.05487	4.3
81.03408	0.9
81.07072	0.9
91.05480	6.2
93.07072	1.8
95.04968	2.9
103.05479	4.2
104.72980	0.9
104.73737	0.8
105.07044	4.7
107.04956	100.0
108.05310	1.2
111.44971	0.8
111.86275	0.8
114.25982	0.7
115.05446	5.1
117.07022	11.2
119.04914	4.7
119.08557	1.5
121.02837	1.8
121.06490	3.8
128.06218	1.1
129.06995	2.4
130.83260	0.8
131.04022	1.6
131.04935	20.9
132.05766	1.4
133.05476	1.4
133.06487	21.6
134.70511	0.9
141.06989	1.5
144.05685	4.6
145.06487	27.8
147.08008	1.0
149.06009	2.1
152.06201	1.0
153.06972	1.2
155.06003	1.0
157.06500	8.3
158.07217	1.0
163.07547	1.2
165.07022	3.6
166.07784	3.6
167.08598	1.5
169.06502	2.4
175.07562	3.6
178.07765	3.3
179.05203	0.8
179.08531	7.0
181.06514	3.7
181.10147	2.2
182.07228	2.7
183.07971	1.6
184.66791	0.9
189.06906	1.3
190.07838	3.9
191.08525	5.0
193.10007	0.9
194.07248	5.9
195.08058	3.1
197.05968	1.1
197.09624	1.5
202.07771	1.5
203.08499	1.7
205.10269	1.0
207.08046	15.5
208.08762	3.4
209.09543	5.2
210.06729	5.5
211.07571	4.3
218.07268	2.2
219.08061	5.0
220.08897	1.5
223.07602	1.9
223.11157	2.4
224.08337	1.1
225.09108	36.0
233.09569	2.7
236.08368	3.5
237.09113	45.6
238.09811	1.7
239.10681	21.8
241.79807	0.8
249.09145	3.2
250.09967	2.1
251.10670	18.7
255.10133	9.0
263.10739	1.9
269.11719	16.0
271.06381	2.1
281.11774	4.5
299.05582	4.2
299.12650	20.3
317.06732	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	1.9
55.01861	3.0
55.05500	6.2
56.05029	2.0
56.48695	1.8
56.96562	1.9
57.03432	3.3
60.04505	1.8
67.05490	9.3
69.07051	5.1
69.94458	8.8
70.06590	17.3
71.04992	2.3
72.08162	9.6
72.08488	2.2
79.05489	7.6
81.03459	1.7
81.07042	9.3
83.04971	4.8
83.08589	4.8
84.04495	5.6
84.08127	8.2
85.06496	1.8
86.09696	6.3
88.04017	1.8
91.05472	9.4
93.07034	7.2
95.04956	6.7
95.08608	4.5
97.02877	3.3
97.10146	4.8
98.09686	2.5
99.04466	1.8
100.11251	5.9
103.05461	3.6
104.03267	1.8
105.07021	10.7
107.04955	100.0
107.08619	5.4
109.10136	4.8
110.07133	5.3
115.05434	2.6
117.07021	4.2
119.04959	4.7
119.08557	3.4
120.08098	4.2
121.02883	2.0
121.06506	2.5
123.08017	2.3
125.09632	6.4
129.06985	4.6
129.10225	4.0
130.06532	1.8
131.04012	3.1
131.04919	28.7
131.38013	1.9
132.05658	2.2
133.06474	15.5
133.10110	1.7
135.04425	4.1
136.06198	7.3
144.05704	3.0
145.06485	13.0
147.04370	2.0
151.07561	2.3
157.06528	12.0
163.03859	2.1
165.06990	6.3
166.07776	4.2
175.07558	2.6
179.08577	5.2
181.06444	4.9
181.10011	1.9
184.07387	3.5
189.09204	2.8
189.11154	3.5
190.07858	2.8
191.08536	7.1
194.07227	6.8
195.07985	4.3
207.08089	11.3
208.08791	3.2
209.09665	3.4
211.07539	2.4
218.07353	3.4
219.08014	5.1
223.07562	3.2
223.11209	2.7
225.09061	16.2
233.09567	5.3
236.08171	2.6
237.09100	64.1
239.10713	11.2
243.10905	3.9
249.09079	2.5
250.09756	2.8
251.10686	31.4
255.12259	2.4
268.13638	2.4
269.11749	10.0
271.13406	3.2
281.11618	16.4
283.11322	5.5
283.13647	4.5
299.09412	4.5
299.14990	25.6
299.18143	2.2
300.15894	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	299.1277
Annotation	Enterolactone
Peak:m/z	Relative Intensity
53.03944	2.4
55.01862	5.8
55.05513	8.8
56.96560	7.7
57.03437	2.8
57.07074	1.3
59.33421	1.3
63.58012	1.3
65.03940	3.2
65.43130	1.1
67.05502	9.7
69.07074	2.8
71.04992	1.3
71.08618	2.2
79.05505	9.4
81.03386	1.7
81.07058	11.4
83.04982	1.7
83.08632	6.7
85.50674	1.5
91.05486	11.2
93.07047	5.0
93.93669	1.3
95.04955	11.1
95.08617	4.4
97.02909	1.5
97.06564	2.0
103.05480	2.8
105.07030	15.1
107.04952	100.0
107.08607	3.4
108.05298	2.6
109.06456	1.6
109.10172	1.9
111.04437	3.3
115.05476	4.0
116.05409	1.4
117.07032	5.2
119.04959	3.8
119.08542	5.2
121.02857	16.5
121.06522	6.1
121.10149	2.5
123.04440	17.5
123.11676	1.4
125.02206	1.4
128.06233	2.4
129.07002	3.9
131.04958	5.4
131.08566	3.1
133.06477	29.4
141.06976	3.0
143.08696	2.4
144.05669	3.2
145.06485	19.7
145.10135	2.0
147.04446	1.7
147.08041	6.6
147.11684	5.8
149.06000	4.3
157.06467	6.5
158.07268	1.6
159.08055	13.1
161.05969	12.0
165.07024	2.2
165.12823	2.6
166.07739	1.6
167.08505	1.7
169.06490	2.1
171.08061	9.7
173.05960	3.7
175.07581	2.4
179.08447	1.7
181.06453	2.9
183.08090	2.6
187.07555	3.2
189.09163	2.5
191.08472	1.9
194.07355	3.7
195.08072	4.8
196.08954	2.1
197.09610	1.9
202.07744	2.2
207.08090	2.6
207.13838	3.0
209.09631	7.4
211.11194	2.9
219.07990	1.8
221.09595	4.0
223.11153	2.1
224.08040	1.6
225.09100	4.0
227.10739	3.4
233.09520	2.6
235.11253	3.2
237.09114	6.1
239.10684	6.4
245.09694	2.4
248.08252	3.2
251.10680	6.8
253.12282	1.7
263.10751	3.4
269.11786	6.5
273.07782	2.1
281.11673	6.7
285.10202	5.0
287.11639	1.9
296.38324	1.4
299.09702	1.6
299.12637	7.1
299.16254	2.0
299.19785	3.4
299.23489	1.8
303.11060	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	299.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05471	0.5
56.96510	22.4
56.96803	1.3
57.19326	0.5
67.05466	0.6
69.07029	0.4
70.99691	1.1
71.95219	1.2
72.96007	0.6
74.97543	0.6
79.05455	0.8
81.06998	0.7
84.95991	0.7
91.05431	0.5
93.06981	0.9
95.04924	0.6
95.08561	0.5
107.04904	1.2
109.10066	0.5
115.00645	0.6
119.08543	0.6
121.02818	1.0
121.06468	0.5
123.01151	0.8
128.98584	0.6
133.01793	0.6
135.04343	0.9
137.02623	1.6
139.00587	2.1
141.02225	1.2
145.01572	0.6
146.99559	0.8
151.00659	0.7
151.20848	0.5
153.02156	0.6
155.03777	2.3
157.01744	4.0
159.03191	1.1
164.82365	0.5
165.02185	0.6
167.03763	1.7
169.01675	1.8
171.03271	2.8
173.01047	0.5
173.04805	0.8
175.02707	1.3
181.04997	1.3
183.03134	0.9
185.04857	8.2
187.02802	0.9
189.04318	2.7
193.05304	0.8
195.06882	0.8
197.04799	1.5
199.06355	1.1
201.04201	0.6
202.34708	0.5
203.05869	13.7
203.07637	0.9
211.06439	2.8
213.07936	1.3
215.05923	1.0
217.07446	1.1
219.08981	0.5
221.06923	1.9
221.08650	1.1
223.06406	2.1
223.10017	0.7
226.07562	0.6
229.07529	2.6
231.07016	2.8
231.08981	0.7
237.07932	2.1
239.09547	2.1
241.07503	2.8
241.11021	0.8
249.07941	7.3
253.07434	0.6
255.09106	2.6
257.10489	0.6
267.09015	70.6
268.09341	1.3
273.10016	0.7
285.10071	100.0
286.10458	1.5
290.10629	4.0
299.05600	1.6
299.11603	7.8
303.11081	3.3
308.11627	5.1
317.12695	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	299.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75867	0.4
53.03928	0.7
55.01865	1.3
55.05507	3.2
55.93519	6.0
56.94303	3.6
56.96553	2.1
57.02922	0.5
57.03422	1.5
57.07071	1.0
67.05172	0.6
67.05502	7.9
69.03407	1.9
69.07069	3.8
69.45534	2.2
69.45941	1.8
70.04064	2.2
70.95856	6.3
71.04395	0.6
71.04979	3.7
71.93002	3.1
72.93386	1.0
72.93783	18.7
73.94554	1.0
74.95334	0.6
76.54825	0.5
79.05477	3.7
81.03399	2.3
81.07052	8.1
83.04961	1.2
83.08611	1.9
85.02876	0.9
88.96909	3.3
89.94044	1.1
90.94823	14.0
91.05467	5.6
93.07022	3.3
95.04955	1.9
95.08582	3.2
97.06543	0.8
97.10175	0.8
98.97565	3.3
102.94788	1.5
104.96368	1.8
105.07027	3.5
105.93484	0.6
106.97923	1.0
107.04959	0.7
107.08582	3.4
107.95071	0.9
108.95851	7.3
109.06532	0.7
109.10164	2.7
113.96358	1.3
113.97641	0.9
116.96357	1.5
116.98641	3.5
117.07001	1.0
118.94254	0.7
119.08567	2.2
121.06491	0.5
121.10121	2.2
121.95904	0.6
122.97407	1.7
123.11736	0.9
123.94555	0.9
125.09633	0.5
125.96099	1.5
126.98429	1.9
128.96327	2.8
129.06952	0.9
130.97913	1.8
131.00107	0.9
131.08556	2.1
131.97437	1.1
131.98656	1.0
132.95801	0.6
133.10124	1.8
134.97375	2.1
134.99707	2.9
135.08095	0.7
135.11658	0.5
136.06201	1.0
136.95313	1.2
138.98395	2.7
139.99202	0.7
142.07816	0.5
142.97888	1.3
143.08455	1.2
144.53262	0.6
144.95819	2.1
144.99477	3.5
145.10178	1.4
146.97360	3.2
147.11664	0.9
148.98965	3.7
149.01248	1.2
149.13277	0.7
150.96886	1.5
150.98396	0.8
151.02040	9.5
151.97655	2.5
154.97862	0.6
155.01596	0.7
155.98666	2.1
156.99457	1.3
157.10098	1.1
158.97461	1.5
158.99718	1.0
159.01038	2.3
159.08051	2.3
160.98956	1.0
161.09555	0.8
162.96884	2.3
164.99922	3.7
165.03592	1.0
166.97945	1.4
168.99429	1.2
169.10112	0.6
170.97357	0.9
171.00995	0.9
171.11655	1.0
172.98976	1.2
173.01237	1.4
173.09602	0.9
173.13211	0.6
175.00610	0.7
175.02055	2.2
176.98468	0.7
177.00729	2.1
178.96469	0.7
178.97971	1.9
179.05130	3.0
181.03056	0.7
183.00995	0.7
183.98212	0.7
184.01764	3.2
184.98965	2.1
187.00537	1.6
187.11198	1.0
190.99989	1.1
191.02277	2.6
196.01852	0.6
196.98927	0.7
197.13213	1.1
199.00502	1.8
201.02142	0.9
201.12724	1.3
201.99113	0.7
202.98579	0.6
207.01218	1.0
213.02042	0.8
221.02602	0.6
223.04182	1.0
229.05188	2.4
229.07123	0.6
229.89928	0.9
230.89175	3.3
239.03593	1.4
241.05197	6.7
243.06779	0.7
244.99641	1.0
253.05194	2.7
255.06723	12.6
257.08383	2.5
259.06317	1.4
264.06830	0.8
267.06696	4.5
267.09064	0.7
271.06381	1.1
272.09415	0.6
273.07816	100.0
274.08105	1.4
281.19000	1.4
285.07797	16.7
287.09378	1.0
291.08926	7.7
296.06070	0.7
296.09402	13.0
297.09772	0.9
299.06061	0.8
299.09381	23.7
299.14322	1.1
299.19965	6.6
303.08905	1.1
308.09467	2.5
317.10458	11.8
318.92374	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2741
Annotation	4E,14Z-Sphingadiene
Peak:m/z	Relative Intensity
51.35719	0.7
53.03927	1.9
55.05511	17.2
56.05032	6.9
57.03421	0.7
57.07075	4.7
58.02956	3.6
60.04512	2.8
65.03928	1.5
67.05505	25.2
67.20660	0.6
68.05017	3.2
69.07066	16.9
70.03168	3.6
70.15792	0.8
71.08611	1.3
72.04522	1.1
79.05498	15.3
80.05023	3.5
81.03411	0.9
81.07053	20.0
82.06583	11.1
83.04964	1.1
83.07385	0.8
83.08628	6.9
86.06055	3.3
91.05480	9.4
92.11163	0.7
93.07037	10.0
94.06568	3.3
94.98460	0.6
95.04964	1.9
95.07335	0.9
95.08613	15.5
96.08125	2.2
97.10171	3.9
98.06050	2.1
98.20864	0.8
98.97598	0.8
100.07631	3.4
102.15122	0.6
105.07001	3.7
107.07340	0.7
107.08594	4.6
108.08121	0.9
109.10167	6.4
114.09116	0.7
116.98633	0.8
119.08574	3.8
121.10136	4.3
122.09681	1.2
123.08083	0.8
123.11740	1.5
133.10109	2.5
135.11696	1.9
154.12233	0.7
191.17981	0.7
245.22624	1.6
245.84576	0.8
250.25276	8.2
252.10353	0.9
254.11855	2.1
262.25278	6.1
263.23669	1.1
267.12839	1.1
274.97784	0.9
276.53543	0.7
280.26352	100.0
281.26804	1.9
282.11249	5.6
283.11856	1.2
292.98404	1.1
298.14362	16.2
299.14682	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38584	1.4
53.03938	1.9
55.05510	16.9
56.05039	9.5
57.07074	4.4
58.02958	2.4
60.04525	2.2
67.05505	23.2
68.05028	4.5
69.07071	17.2
70.18793	6.9
71.08624	2.1
71.35866	1.4
79.05495	14.8
80.04999	2.2
81.07056	18.7
82.06596	8.8
83.08623	9.0
85.28426	1.6
86.06078	4.7
91.05487	8.7
93.07040	7.3
94.06575	3.6
95.04942	2.1
95.08612	17.0
96.08160	2.2
96.08978	2.0
97.10175	2.4
98.06076	2.4
100.07617	2.5
105.07071	3.6
107.08600	6.6
109.10154	5.7
111.11760	1.9
119.08594	4.6
121.10147	7.0
133.10199	1.9
133.65453	1.5
134.71014	1.7
135.11681	2.7
147.05203	1.5
162.35196	1.4
178.73814	1.7
191.17940	1.5
250.25270	11.0
262.25348	5.4
280.26364	100.0
281.26636	2.8
298.14392	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	298.2011
Annotation	N-(3-Oxododecanoyl)homoserine lactone
Peak:m/z	Relative Intensity
55.05511	3.2
57.03413	1.9
57.07063	1.1
61.01129	1.3
67.05502	4.4
68.05019	4.3
69.03419	1.4
69.05806	4.4
69.07047	2.7
69.69775	3.8
70.04050	2.9
70.06589	46.2
70.07391	1.3
71.04992	4.6
71.63314	0.6
72.08144	1.7
72.93764	1.0
75.37485	0.7
79.05499	3.4
80.05008	0.9
81.03409	2.0
81.07047	5.7
82.06572	2.1
83.04939	1.2
83.07345	6.5
83.08598	2.7
84.04446	0.7
84.08135	6.4
85.02875	2.6
86.06021	1.0
86.09676	1.0
87.04460	1.3
90.94818	1.1
91.05460	3.7
93.07015	3.0
94.06529	0.7
95.04938	1.9
95.08643	1.7
96.08109	1.3
97.02861	1.3
97.06525	1.3
97.10169	0.7
98.06009	0.9
98.09675	1.7
98.97531	0.9
99.00794	1.8
100.07523	0.7
105.07034	3.2
107.04934	3.1
107.08578	2.3
108.08136	1.0
109.02853	0.7
109.06479	1.4
109.10149	1.4
117.07043	0.7
119.08551	1.6
121.06490	1.1
121.10139	1.4
123.11604	0.9
124.07582	1.4
126.09129	1.8
131.08496	0.9
132.81012	0.6
133.10103	2.6
136.06174	16.3
138.05463	0.8
142.08594	1.2
150.05502	2.5
151.11241	1.1
154.05019	1.4
161.09521	0.8
163.04123	0.7
168.06549	4.8
184.13252	0.8
189.09077	0.8
201.07571	1.1
226.18015	6.2
229.07376	1.1
236.16457	4.8
238.18073	4.8
252.19717	1.0
254.17500	95.9
255.17798	2.0
256.19080	9.6
257.04633	1.2
266.13898	3.2
270.20584	1.0
275.05719	11.7
276.06247	0.7
280.19064	3.8
294.69193	0.7
298.17059	3.5
298.20111	100.0
299.14923	1.4
299.20432	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2738
Annotation	(+)-Lepadin D
Peak:m/z	Relative Intensity
55.05516	15.4
55.17982	1.4
56.05044	8.1
57.07067	5.4
58.02943	2.2
60.04515	3.4
61.75944	1.3
67.05503	19.2
68.05018	3.0
69.07069	17.9
70.19036	6.2
71.08633	2.8
74.06095	1.6
79.05500	13.3
80.05022	2.2
81.07055	16.3
82.06574	7.8
83.04931	1.8
83.08630	7.1
85.68150	1.4
86.06062	2.6
86.76402	1.4
87.36434	1.4
90.52359	1.4
91.05475	8.8
93.07034	9.0
94.06598	3.4
95.04972	2.6
95.08601	15.2
96.08147	2.7
97.10172	3.9
98.06050	1.6
100.07597	2.7
105.07033	2.8
107.08596	4.4
109.10142	3.7
113.09660	1.4
119.08571	4.8
121.10114	2.6
133.10139	3.1
135.11681	2.7
170.06052	1.4
187.12767	1.6
192.32710	1.3
250.25270	9.8
262.25302	5.6
267.12604	1.7
280.26358	100.0
280.37949	1.5
298.14383	5.2
308.52490	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2738
Annotation	Cassine
Peak:m/z	Relative Intensity
55.05507	16.8
56.05030	7.1
56.81156	1.5
57.02393	1.8
57.07076	5.9
58.02954	3.8
60.04513	1.8
67.05229	2.0
67.05508	22.7
68.05046	3.6
69.07059	14.1
70.00464	3.4
70.00878	7.2
72.16331	1.7
79.05491	13.2
80.04998	2.9
81.07047	22.3
82.06570	11.0
83.08610	9.5
85.10172	3.1
86.06039	3.0
90.58399	1.6
91.05480	8.8
93.07063	9.7
94.06556	4.0
95.04971	1.8
95.08598	15.0
96.08128	2.8
97.06608	1.8
97.10180	4.6
100.07620	2.7
105.07024	5.7
107.08617	3.9
108.08130	2.4
109.10159	4.7
113.09646	2.7
114.09983	2.3
119.08567	2.6
121.10108	3.8
133.10109	4.3
135.11720	2.6
177.66899	1.7
190.09648	1.8
250.25316	8.8
262.25290	4.4
280.26355	100.0
282.11288	4.7
298.14404	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	298.1145
Annotation	Nelarabine
Peak:m/z	Relative Intensity
60.04508	1.0
61.01134	1.7
64.39757	0.5
69.03415	0.7
70.06583	1.6
70.62121	1.2
71.01348	0.7
72.08144	0.6
75.02723	0.7
81.04497	0.5
84.04513	0.9
84.08131	2.1
86.09698	0.8
97.02885	1.0
98.20813	0.5
104.15752	0.5
106.27608	0.5
107.04948	1.4
108.64960	0.5
109.05120	1.5
110.07151	1.3
114.05550	0.7
120.90647	0.5
122.08442	0.6
128.04601	1.3
132.06583	3.4
136.06190	31.0
142.92580	0.5
148.08667	1.1
149.04633	3.0
149.05736	0.7
152.05670	3.7
153.04073	3.2
156.07637	0.6
166.07248	100.0
167.05661	11.3
177.08226	0.6
178.09778	0.9
193.06087	0.5
193.10870	3.3
194.09222	0.6
239.11394	5.1
254.11839	0.6
282.11270	1.2
283.06549	0.5
298.14191	3.1
298.18027	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01858	0.4
56.96559	0.4
57.07066	0.5
61.01155	0.5
67.05486	0.4
69.07052	1.1
70.04070	0.7
79.05479	1.9
79.53186	0.3
81.07036	0.5
86.06094	0.3
91.05466	0.8
91.59187	0.4
93.07014	0.6
95.04955	1.8
98.21509	0.8
98.97585	0.8
105.04483	0.5
107.04946	100.0
108.05287	1.5
116.98611	1.2
121.06518	1.3
121.45672	0.4
122.06847	1.1
123.07076	0.4
132.05592	0.6
134.99615	0.8
136.06180	3.7
160.05052	65.5
161.05354	0.7
176.14323	0.3
177.14700	1.0
192.07661	77.4
193.08046	1.7
201.07603	0.6
250.97083	0.4
252.15938	0.6
274.97421	0.9
275.05704	0.5
292.98389	1.0
298.12173	1.8
298.17645	0.8
298.20758	1.6
299.05231	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1437
Annotation	Pseudoanibacanine
Peak:m/z	Relative Intensity
69.07056	0.3
70.78473	0.5
72.48874	0.4
79.06859	0.3
87.51672	0.3
107.04957	2.7
108.05753	0.3
121.06497	0.3
131.04910	0.4
146.05956	0.4
148.07527	0.4
150.06776	0.4
160.07573	0.9
165.09138	0.5
176.07083	3.1
189.07909	1.3
190.08652	0.4
192.10152	0.8
202.08751	0.3
203.08977	0.3
207.08194	0.3
219.08072	0.3
223.07513	0.4
224.10698	1.5
235.07510	0.4
236.10800	1.4
237.08296	0.5
237.11377	1.5
238.09946	0.4
238.12180	0.3
240.10327	0.4
244.27271	0.2
252.10316	2.0
253.10817	0.5
254.11754	13.9
255.12317	0.4
265.11075	0.4
266.09268	0.4
266.11774	3.2
267.12735	1.7
268.09714	2.5
269.10458	6.3
272.38736	0.3
280.09766	0.9
281.11804	0.3
282.11252	41.3
283.08804	0.4
283.12012	9.0
298.14374	100.0
298.31046	0.6
299.14639	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0969
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
55.01873	0.3
55.05498	0.4
55.93517	0.2
56.96567	0.3
57.03423	0.2
57.07072	0.4
61.00833	0.3
61.01146	4.9
61.02900	0.2
67.05486	0.9
68.05038	0.2
69.03423	0.6
69.07069	1.4
70.04081	1.5
70.06591	1.5
70.07388	0.7
71.60007	0.3
71.92978	0.3
72.08112	0.3
72.93775	0.3
72.98213	0.2
75.02702	2.3
79.05473	0.3
81.03394	0.4
81.07046	0.7
82.28551	0.2
84.04503	0.2
84.08138	0.5
85.02885	0.3
86.09706	0.4
87.04487	0.2
91.05437	0.4
93.07032	0.5
94.04073	0.3
95.04980	0.3
95.08597	0.4
97.02889	1.8
97.06556	0.3
98.97559	0.5
103.02164	0.3
105.07016	0.4
107.04948	1.3
107.08601	0.4
109.06494	0.4
109.10109	0.3
116.98635	0.5
119.03536	0.7
119.08578	0.4
121.06549	0.3
133.10133	0.4
134.99648	0.5
136.06174	100.0
137.04555	0.6
137.06505	0.7
137.09679	0.2
145.03172	1.8
146.97420	0.4
154.04987	1.2
163.04211	1.2
187.58278	0.2
200.07327	0.2
201.07603	0.6
211.13231	0.4
239.11288	0.2
252.19594	0.3
254.17500	1.6
270.20538	0.3
274.97455	0.7
275.05823	0.5
280.19000	0.3
292.98523	0.3
298.09607	3.8
298.17282	0.4
298.20230	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	298.0969
Annotation	5'-Methylthioadenosine
Peak:m/z	Relative Intensity
55.01875	0.6
56.96559	0.8
57.03414	0.8
57.07068	0.6
58.95864	0.5
60.04505	0.9
61.01146	5.8
61.02903	0.6
62.06077	0.8
69.03426	2.5
69.07053	1.8
70.04080	0.8
70.06574	1.9
70.07391	1.2
70.99153	1.3
71.04976	0.5
73.02886	0.9
75.02695	3.4
79.05517	0.9
80.57847	0.4
81.03402	1.0
81.04521	1.0
83.06084	0.8
84.04501	1.5
84.08134	1.4
85.02909	4.5
85.34742	0.5
86.06057	1.5
91.05431	0.6
91.64139	0.4
94.05315	0.5
94.06538	0.9
95.04965	1.3
95.06081	1.8
97.02902	3.0
106.06501	0.5
107.04948	39.3
108.05273	2.7
109.02888	0.6
110.07157	0.5
112.07674	0.6
116.98557	0.7
118.06538	1.6
119.01905	2.2
119.03545	0.5
119.04964	0.6
120.04446	2.3
121.06609	0.5
121.07613	1.3
122.07130	0.6
122.08384	1.3
123.04398	3.2
124.08775	0.4
127.03923	0.8
128.07080	0.9
129.06555	0.5
131.01913	0.9
132.06546	1.2
132.08066	0.9
133.07617	1.1
134.06039	1.6
134.99594	0.6
136.06177	100.0
136.07512	5.9
137.04608	0.7
137.05736	0.5
139.03818	0.6
145.03206	2.4
146.06001	2.5
146.08073	0.6
148.08685	2.2
151.03911	1.2
152.07069	3.9
156.06564	0.9
160.07576	1.4
161.02902	0.6
163.04272	1.0
165.03990	1.2
165.09029	1.7
166.07272	2.1
166.09709	2.7
169.09717	1.2
173.02951	1.0
174.07613	1.4
175.07866	0.5
175.10812	0.7
176.11151	0.6
178.09695	2.7
183.05046	1.9
192.08667	3.2
192.10329	0.8
193.10815	9.4
194.09264	1.3
195.12448	0.5
200.07391	0.8
201.07559	1.1
207.05064	1.7
219.04999	3.1
221.04921	0.7
239.11363	15.2
239.49599	0.5
242.31210	0.5
245.05074	1.1
249.06429	0.6
254.18541	0.7
280.12668	0.7
291.07083	0.8
298.09671	3.7
298.13135	1.8
298.18625	3.0
299.98666	0.5
309.08197	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	298.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85582	0.2
53.03928	0.7
55.05492	0.2
57.03135	0.2
57.03425	0.5
68.05017	0.2
69.03426	1.1
69.07056	0.3
69.27913	1.8
70.04073	0.4
70.06569	0.3
70.07386	0.3
71.04979	0.3
73.02906	0.3
80.05007	0.7
81.03409	3.3
81.07027	0.2
82.06564	0.3
85.02901	1.5
87.04452	0.2
91.05475	0.4
92.05000	0.2
95.01311	1.3
96.04504	0.2
96.49628	0.1
97.02872	0.7
97.05204	0.2
97.69292	0.2
98.06075	0.2
98.79742	0.2
99.04451	0.3
106.51141	0.2
107.04915	0.4
108.04466	1.4
109.02847	1.5
110.06023	2.5
126.05504	5.4
127.03901	0.6
136.03920	19.0
136.06134	2.5
136.07419	0.3
140.03360	0.2
141.69423	0.2
146.05983	0.2
154.04967	100.0
155.05324	1.0
188.08366	0.2
245.67384	0.2
280.08130	2.3
298.09171	31.6
298.20163	0.9
299.09579	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0969
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
61.01150	5.0
64.79508	0.2
69.03426	0.7
70.06592	0.4
70.71426	0.5
70.71767	0.2
73.70277	0.3
75.02713	2.1
84.08138	0.3
94.04056	0.6
97.02880	1.3
103.02148	0.4
103.62647	0.2
104.61263	0.2
119.03558	1.2
136.06187	100.0
137.04614	0.6
137.06551	0.8
145.03157	1.4
160.49319	0.2
163.04256	1.1
298.09616	1.7
298.14264	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93518	0.4
56.96550	0.9
69.03414	0.6
70.95865	2.2
71.17141	0.3
71.57315	0.6
75.56310	0.4
77.00872	0.3
82.99892	0.6
84.08143	0.5
85.02879	0.5
88.96856	0.6
97.02897	2.7
98.97588	1.0
101.00892	1.4
113.03493	1.9
116.98584	1.9
119.01921	19.0
120.02020	1.2
121.01664	0.9
131.01892	1.2
133.03487	0.5
134.99716	2.6
135.99979	0.5
137.02953	11.4
138.03043	1.2
139.01614	0.4
139.02672	1.0
140.98866	0.6
142.03511	4.4
143.03650	0.6
150.96935	0.6
153.00853	1.7
158.99867	0.7
160.04507	2.9
162.99463	0.5
165.05122	0.6
167.01276	0.5
173.01294	0.5
174.00565	0.4
174.06123	0.8
177.00957	27.0
178.01073	3.3
179.00671	3.1
182.99815	0.9
186.06715	0.4
187.08255	0.5
188.00020	0.7
189.06152	0.5
190.94899	1.3
192.98714	0.5
193.10846	0.4
195.02010	0.9
200.02602	0.9
201.00873	1.9
203.00681	0.5
203.02501	0.8
207.01077	0.4
208.95921	3.9
216.98712	0.5
217.04016	2.5
219.02011	46.2
220.02173	3.4
221.01781	4.7
224.95490	0.5
225.00810	2.2
231.01788	0.4
232.95978	2.7
233.03555	0.7
234.99953	0.9
235.99713	0.8
236.11148	0.5
236.99434	0.8
238.95703	0.6
239.11391	0.6
242.03613	1.8
243.01917	4.7
250.97031	3.7
252.10338	0.4
254.11798	0.6
255.01125	0.6
256.05310	0.4
256.96597	6.1
257.03876	0.6
257.96771	1.4
258.03275	0.5
258.96469	1.5
260.04715	0.4
261.03064	100.0
262.03207	4.8
263.03336	0.8
266.03571	0.5
267.13013	0.8
272.94565	0.6
273.94464	0.8
274.97116	12.2
275.00980	0.6
275.01486	0.6
275.04474	3.6
275.97610	1.3
276.04361	0.4
276.92075	0.6
276.97501	1.1
282.11252	1.5
284.04657	5.2
285.04837	0.7
290.95746	0.6
291.95663	0.7
292.95175	0.9
292.98050	5.8
293.28015	0.4
293.60965	0.6
293.98065	0.5
294.93127	0.5
297.98843	0.5
298.06329	0.9
298.14362	5.1
298.18466	1.0
298.97733	5.2
299.06494	0.6
299.09665	2.4
299.27893	1.1
300.30136	0.4
304.61642	0.4
315.95789	0.6
315.99310	0.6
316.07199	4.7
316.19757	0.6
316.95642	0.5
316.99063	0.5
317.93420	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16299	4.5
55.05504	43.7
57.07082	40.7
67.05506	34.9
69.07062	76.9
69.56924	5.3
71.08617	22.3
74.61089	5.0
75.27747	5.0
79.05482	22.7
81.07058	40.8
83.08613	45.0
85.10165	17.9
91.05434	6.4
93.07077	38.8
95.08607	44.7
97.06545	26.0
97.10159	45.8
107.07012	5.0
107.08595	39.0
107.37099	5.2
109.10133	22.6
111.08057	14.6
111.11708	22.1
121.10141	29.6
123.11702	17.5
125.09618	6.2
135.11688	35.8
139.11171	9.4
149.13240	22.9
151.14801	8.9
163.14790	17.9
165.16420	5.7
168.85991	5.2
177.16388	12.4
180.08803	6.8
181.15904	5.9
203.08920	5.5
208.08339	8.7
220.08493	8.2
222.06447	5.6
235.10721	34.2
236.07935	22.1
237.08521	7.3
247.24225	37.5
250.09882	7.0
251.10248	45.4
265.12311	5.9
265.25208	25.8
266.12589	100.0
281.10065	5.3
282.11255	25.2
297.13132	25.8
297.16815	21.1
298.14334	95.4
304.17224	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	297.9856
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61926	0.5
55.93518	4.0
56.96550	1.9
57.07076	0.8
57.86623	0.5
67.05470	0.6
69.07055	2.1
69.87413	2.0
69.87824	1.0
70.04057	0.9
70.07396	1.2
70.95860	25.8
72.93791	1.4
73.75166	0.5
88.96899	8.8
98.97582	1.8
101.00849	0.9
105.46133	0.6
106.97947	1.3
108.18050	0.6
115.07537	0.9
116.07911	0.6
116.98592	2.8
119.01918	9.4
132.95818	1.6
134.99666	2.1
137.02942	4.4
142.03532	0.6
150.96878	5.9
152.97830	0.5
153.00813	1.2
154.92847	0.6
172.93866	1.0
174.00734	0.8
177.00955	13.8
178.01006	2.3
179.00752	2.7
190.94868	13.0
192.98683	1.2
195.02031	0.7
197.94431	0.7
199.06961	0.6
200.07310	0.8
201.07608	1.4
203.02467	2.2
205.00430	0.7
206.94286	1.4
208.95937	45.2
209.96040	1.3
210.95949	0.7
214.94904	1.3
215.03802	0.7
215.95503	0.8
216.98724	1.2
218.03606	0.6
219.01991	14.0
219.03931	1.0
220.02071	4.4
221.01709	6.5
224.95428	4.7
226.96956	0.9
229.46555	0.5
231.01958	1.1
231.97562	0.8
232.95918	27.9
233.96606	3.9
234.99806	2.6
242.03687	0.6
242.96495	0.7
243.01938	0.8
245.03494	0.6
247.94699	3.4
250.96986	42.3
251.97229	0.9
256.05219	1.2
256.95874	5.0
258.03122	3.3
261.03043	15.9
265.95706	4.6
273.98645	1.5
274.96979	100.0
275.04495	3.9
275.97195	2.7
276.97620	0.6
277.00909	1.2
292.98022	61.7
293.98160	1.7
297.98059	2.7
298.18588	1.9
299.05713	0.6
315.99619	1.9
316.02765	0.8
316.19666	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2424
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
51.46140	1.2
51.64955	1.2
53.01246	1.2
55.05500	5.1
56.96544	2.9
57.07077	7.7
67.05177	1.4
67.05508	16.9
68.90831	1.3
69.07064	9.1
69.63805	1.3
70.85806	4.2
71.08633	38.5
71.32101	1.2
72.63358	1.4
79.05494	7.7
81.07056	21.3
81.65452	1.3
83.04972	1.5
83.08614	5.1
91.05471	5.6
93.07029	6.4
95.04993	1.6
95.08609	16.6
97.06541	1.5
97.10176	2.7
99.07490	2.8
99.08095	36.3
102.01508	1.3
105.07040	6.8
107.04971	3.0
107.08588	4.4
109.10137	5.7
119.08600	5.6
121.10126	4.4
123.08153	1.5
123.11706	2.3
131.08578	3.4
135.11711	3.0
136.06189	1.4
137.13295	1.9
145.10092	3.4
147.11694	19.1
149.13254	2.5
153.12766	4.6
156.61070	1.5
159.11673	2.2
161.13182	1.9
163.11140	3.0
163.14812	4.7
165.12715	5.9
167.14359	2.7
171.06728	2.3
172.07051	1.7
173.13289	2.9
176.07204	1.4
179.08467	1.6
180.08891	1.8
181.15837	2.7
191.08159	3.0
192.08815	2.7
202.08623	1.9
203.08881	2.6
204.08878	2.8
208.08397	4.8
219.07790	3.4
220.08357	6.9
221.09453	2.4
222.06308	2.4
222.10027	3.1
223.10609	2.5
224.10707	2.6
234.10101	5.3
235.07475	4.4
235.10736	23.5
236.07913	24.2
237.08539	4.1
243.20993	6.0
250.09744	5.9
251.10243	33.9
252.10413	2.4
254.11755	13.4
261.22125	6.6
265.12231	5.6
266.12570	81.0
267.12793	4.6
268.09558	1.8
269.10510	5.0
279.23218	22.9
280.09723	2.3
281.09946	3.6
282.08301	2.6
282.11243	34.8
283.12109	7.9
297.06439	2.6
297.09979	2.7
297.13138	16.9
297.16779	19.2
297.24255	3.2
298.14368	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2423
Annotation	9R-HODE
Peak:m/z	Relative Intensity
53.03940	4.8
55.05511	51.3
57.07078	32.4
67.05505	96.3
69.07069	83.0
70.07424	3.9
70.49825	3.4
70.77620	4.6
70.77935	7.2
71.08633	22.4
73.06551	7.1
79.05488	67.4
81.03411	4.2
81.06591	4.9
81.07061	100.0
82.07373	6.3
83.08615	34.9
85.06568	6.7
88.52735	4.1
91.05472	16.4
93.07047	58.2
95.04977	4.4
95.08603	80.9
97.06535	16.0
97.10178	12.2
98.97560	3.9
99.08044	5.8
104.46361	3.7
105.07029	16.3
106.07343	3.8
107.04971	7.4
107.08575	43.1
109.06516	8.8
109.10139	30.4
111.11684	3.6
116.98605	4.0
117.07008	8.9
119.08588	10.3
121.10135	73.6
123.08072	6.1
123.11716	14.0
131.08601	13.0
133.10136	10.7
134.99617	3.4
135.11694	41.6
137.13278	15.5
141.12775	11.1
143.07066	17.2
145.10118	7.4
147.11705	9.7
149.09610	7.3
149.13235	15.0
151.14842	7.7
159.11696	4.9
161.13219	6.5
163.14856	6.5
165.12767	7.9
173.13292	4.4
177.12724	5.6
177.16373	4.9
181.12173	4.3
183.13783	5.0
187.14857	6.3
200.07253	4.5
204.09029	4.9
208.08455	5.5
220.08472	6.1
222.06235	3.9
222.09877	5.3
233.22624	29.2
235.10732	20.9
236.07898	23.2
237.08624	5.7
243.21132	15.1
250.09691	8.1
251.10237	33.9
254.11720	4.7
261.22076	25.1
265.12384	6.0
266.12576	93.2
279.23300	22.4
282.11298	19.7
292.98602	5.0
297.13242	11.0
297.16788	23.4
298.11038	6.1
298.14340	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	297.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.8
55.05513	21.0
56.96545	6.3
57.03432	3.5
57.07072	21.0
67.05181	3.4
67.05507	54.5
69.03399	2.3
69.07066	32.5
70.07384	4.0
70.13120	4.6
70.13499	9.4
71.04985	2.9
71.08633	90.8
79.05491	22.8
81.07056	67.4
83.04958	6.6
83.08617	17.3
85.06520	5.0
85.10180	25.6
91.05470	25.7
91.37982	2.3
93.07046	24.4
95.04947	3.3
95.08606	47.2
97.06536	7.7
97.10145	8.4
98.97562	4.5
99.08093	78.4
105.07039	18.9
107.04940	9.2
107.08591	20.7
109.10149	18.4
111.08042	6.6
113.09641	35.7
115.07538	3.4
116.98660	2.4
119.08578	12.3
121.10114	15.0
123.08043	3.8
123.11683	10.0
125.09637	3.0
127.11185	4.2
127.99990	2.4
131.08554	7.7
133.06505	14.1
133.10147	16.6
134.99625	5.0
135.11687	13.0
136.06195	3.4
137.13187	3.2
145.10097	5.7
147.11678	38.6
149.09586	4.5
149.13251	17.7
151.11122	5.5
153.12766	6.6
159.11635	3.8
161.13260	4.6
163.11177	9.9
163.14833	15.2
165.12744	15.4
167.14345	9.5
173.13199	4.6
176.07025	3.1
177.16318	2.7
179.08455	3.3
181.15804	8.7
192.08902	5.1
195.17395	2.7
200.07356	10.5
203.05913	4.7
203.08725	3.4
204.08961	4.0
207.07913	3.1
208.08350	6.3
209.35818	2.8
218.06976	3.2
219.07779	5.2
220.08377	8.4
222.06273	3.4
222.10042	3.8
233.22699	4.2
234.10098	6.2
235.07614	7.2
235.10759	30.8
236.07903	27.2
237.08667	6.5
243.21107	11.7
250.09801	9.5
251.10222	46.4
254.11739	7.1
261.22150	15.1
265.12262	5.3
266.12558	100.0
267.12866	3.8
274.97406	4.0
279.10455	2.6
279.23157	49.8
281.10028	3.5
282.11234	19.4
292.98367	3.9
297.09943	4.9
297.13123	13.0
297.16769	15.2
297.24185	7.6
298.14389	61.7
298.27280	3.7
306.60742	2.6
314.17316	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	297.2425
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
55.05509	9.6
57.07079	36.5
67.05507	39.6
69.07067	13.2
70.84444	4.6
70.84782	3.2
71.08640	2.9
79.05484	12.8
81.07059	31.2
83.04965	4.0
83.08606	8.1
85.10186	75.5
89.06018	2.1
91.05495	24.0
93.07043	16.4
95.04972	3.7
95.08608	25.4
97.10165	5.4
104.88747	2.1
105.07030	10.7
106.86230	2.0
107.08607	10.5
109.10155	7.3
111.08108	3.5
113.09652	100.0
117.06995	3.3
121.10156	9.0
123.11699	3.1
124.02903	2.0
131.08572	4.9
131.10703	5.2
133.10132	37.1
135.11710	3.1
137.13297	2.3
141.12766	3.7
147.11623	3.1
149.09615	8.0
149.13277	25.2
151.11147	12.5
153.12756	2.4
159.11684	3.2
165.12804	3.6
167.14301	13.3
174.85995	2.3
181.15884	4.5
235.10933	3.0
236.07846	4.7
243.21159	7.2
251.10258	5.5
261.22162	11.3
266.12540	11.0
279.23184	35.3
280.26230	14.3
282.11078	2.2
297.16568	4.7
298.14346	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2422
Annotation	9R-HODE
Peak:m/z	Relative Intensity
53.03942	5.4
55.01876	6.0
55.05511	43.5
57.03431	3.1
57.07072	19.4
62.10323	2.2
65.03932	2.8
67.05501	58.1
69.06722	3.3
69.07069	39.8
69.95610	7.1
69.96023	3.7
71.04967	4.3
71.08627	16.4
79.05487	34.4
81.07053	100.0
83.04967	3.3
83.08617	45.8
83.30517	2.3
85.06544	2.6
85.10181	8.0
91.05474	9.9
93.07038	33.7
95.04967	3.6
95.08602	67.5
97.06544	6.6
97.10171	14.4
98.97584	3.4
99.08111	4.0
103.05360	1.9
105.07047	6.7
107.04942	10.8
107.08591	24.5
109.06509	3.8
109.10155	30.8
111.08113	8.0
111.11710	2.1
113.09628	3.0
117.07021	2.9
117.14642	2.0
119.08562	6.3
121.10123	22.0
123.08044	4.2
123.11713	13.0
125.09609	5.5
131.08585	5.4
133.10159	5.2
135.08063	3.6
135.11702	15.2
137.13261	9.3
141.12729	8.9
147.11708	5.1
149.09583	3.0
149.13234	11.7
151.11208	2.7
151.14833	4.0
153.12689	3.9
155.14301	8.5
159.11694	4.3
161.13289	3.4
163.11223	4.3
163.14841	3.1
173.13223	4.4
175.09677	4.2
177.12903	2.1
181.12204	2.7
181.15916	3.6
191.14334	2.7
193.15820	2.5
195.13786	2.2
233.22600	9.1
234.10132	2.7
235.07645	3.0
235.10721	11.1
236.07912	9.5
237.08868	2.5
243.21078	10.3
251.10211	11.4
251.23656	5.6
254.11778	2.9
261.22107	21.1
265.12149	2.5
266.12558	40.1
267.10144	2.4
279.10190	2.0
279.23172	31.2
279.25986	3.3
282.11423	4.9
283.11993	2.6
297.13287	4.9
297.16779	4.9
298.14441	17.8
314.94635	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	297.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.6
53.08389	2.4
55.01860	9.9
55.05511	38.2
56.96551	10.3
57.03450	3.6
57.07073	40.6
57.34459	2.8
67.05503	53.9
69.03408	5.5
69.07061	41.7
70.04072	3.1
70.07381	3.3
70.73375	4.7
70.73718	4.0
71.04990	4.4
71.08627	45.3
79.05492	40.6
81.07052	82.4
82.07389	2.9
83.04985	4.3
83.08616	40.7
85.10176	15.6
91.05476	14.3
93.07028	34.4
95.04964	7.1
95.08604	62.8
97.06526	10.0
97.10149	10.4
98.97594	3.2
105.07037	16.7
107.04941	16.1
107.08605	26.1
109.06508	6.7
109.10146	23.8
111.08074	10.3
116.98622	7.8
117.07015	3.8
119.08562	7.7
121.10136	21.8
123.08111	6.3
123.11694	10.4
123.27018	3.1
125.09643	5.9
131.04924	5.5
131.08551	7.6
133.06503	24.3
133.10146	5.9
134.86090	2.7
134.99652	8.5
135.08047	4.1
135.11682	16.0
136.06201	7.5
137.13264	7.6
139.11134	2.9
141.10986	3.2
141.12726	17.9
145.10089	4.6
149.02356	4.7
149.13252	10.8
155.14314	14.7
157.08707	3.8
157.10071	2.8
159.11694	6.2
161.13223	3.4
163.11162	3.4
175.09717	5.0
179.08412	2.9
180.08939	3.6
183.17398	3.6
191.08391	3.2
192.08824	7.4
195.17419	3.1
204.08878	4.7
208.08434	4.1
218.06956	4.5
219.07782	6.3
220.08411	7.8
222.06323	4.5
222.10114	5.7
233.22685	5.9
234.10211	7.6
235.07599	10.0
235.10707	31.1
236.07874	37.9
237.08490	5.5
239.03905	3.3
243.21111	7.1
247.17130	3.1
250.09859	9.8
251.10260	38.3
251.23721	24.3
261.09079	3.0
261.22183	14.6
265.12231	9.6
266.12579	100.0
267.06467	4.1
267.10095	7.9
267.12772	4.5
274.97476	7.8
279.10135	3.3
279.23151	27.3
282.11346	7.8
292.98578	7.2
297.07449	16.3
297.13431	6.4
297.16809	15.0
298.14255	19.8
301.10645	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	297.2422
Annotation	9(10)-EpOME
Peak:m/z	Relative Intensity
55.01865	9.5
55.05258	4.5
55.05510	50.4
57.03434	10.6
57.07077	15.6
59.05018	4.4
67.05503	84.7
68.05834	7.1
69.03448	2.2
69.07069	77.6
69.26228	22.1
69.26635	4.3
69.59232	2.7
70.07381	4.0
71.04990	9.7
71.08619	6.2
73.06570	4.3
73.95801	2.2
79.05494	47.9
80.05804	2.7
81.06580	4.8
81.07058	100.0
82.07404	6.2
83.04961	11.7
83.08611	23.6
84.08941	3.3
85.06550	7.3
86.96664	2.3
91.05482	15.3
93.06473	4.9
93.07044	67.5
94.07346	4.1
95.04966	7.3
95.08608	78.0
96.08934	5.7
97.06511	24.1
97.10160	28.2
99.08112	5.0
105.07029	9.2
107.04929	3.4
107.08587	27.1
109.06505	2.8
109.10161	36.0
109.62814	2.7
111.08106	5.0
111.11729	8.4
112.08414	2.5
119.08560	6.0
120.40333	2.1
121.10149	53.9
123.11714	24.4
125.09660	4.4
129.05496	10.5
131.08588	6.0
133.10143	7.8
134.10497	3.3
135.11700	19.1
137.13274	8.3
139.11200	14.9
145.10194	3.0
147.11687	7.5
149.13268	11.3
150.06879	2.2
159.11670	4.1
165.12804	3.8
173.13284	5.2
187.13263	4.9
191.08083	2.5
192.08894	3.9
200.07405	2.8
203.08931	3.1
203.12756	3.8
204.08945	3.3
205.19514	6.5
208.08330	4.9
219.07642	4.5
220.08382	5.0
223.16962	3.7
223.20518	4.8
233.01772	2.8
233.22737	3.0
234.10164	7.6
235.07533	3.7
235.08659	2.4
235.10767	19.5
236.07864	18.5
237.08630	3.4
243.21089	5.7
250.09679	5.7
251.10246	31.7
254.11945	5.0
261.22128	21.8
265.12241	4.8
266.12576	72.1
279.23196	50.1
280.26474	5.2
282.11292	16.2
283.12140	3.2
297.13144	12.5
297.16812	15.2
297.24210	23.8
298.14352	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2421
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
55.01848	6.7
55.05508	61.0
57.03425	9.6
57.07074	32.7
58.07402	5.9
65.03945	2.5
67.05502	78.4
69.03403	3.1
69.07066	87.1
69.66100	20.9
70.07404	19.0
70.07719	2.8
71.01336	7.6
71.08623	15.3
79.05492	30.9
79.09473	2.9
80.64832	3.2
81.07052	80.9
83.04996	3.7
83.08611	28.1
85.06528	7.8
86.42759	2.7
91.05463	9.5
93.07042	34.1
95.08600	66.4
97.06515	8.9
97.10163	37.3
99.08103	6.5
105.07014	7.0
107.08594	33.6
107.13715	2.9
109.06522	3.8
109.10150	40.9
111.08083	3.7
111.11706	3.5
113.05983	3.3
115.07539	8.1
117.07016	3.1
119.08580	7.0
120.81639	2.6
121.10125	15.1
123.11689	12.5
125.09626	26.1
131.08572	4.3
133.10152	4.1
135.08054	3.9
135.11691	24.0
137.13275	8.8
141.12733	8.6
143.00757	6.0
144.01022	5.5
145.10144	5.1
145.51459	3.2
147.11667	5.4
151.14844	3.4
153.09145	4.1
153.12740	6.3
161.13342	4.6
163.14828	4.0
169.15889	12.4
173.11832	6.6
173.13278	6.6
179.14241	3.0
181.12175	3.6
183.13802	100.0
189.11220	12.7
195.13748	3.3
199.07018	9.6
200.07263	28.7
209.15329	3.5
233.22539	4.0
243.21179	5.4
251.23653	17.9
261.22217	20.1
264.65808	3.2
279.23181	47.3
297.10062	11.3
297.24161	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	297.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	8.4
55.05505	17.4
57.07064	6.0
67.05505	30.7
69.07068	23.7
69.71124	15.2
69.85587	2.2
71.04993	4.0
71.08634	17.8
79.05499	18.3
81.07057	27.6
83.04964	7.4
83.08611	8.4
85.06557	3.0
91.05468	8.8
93.07033	20.3
95.08605	29.1
97.06539	4.1
97.10164	8.5
99.08087	12.5
105.07026	6.3
107.04945	7.3
107.08583	14.3
109.10142	9.6
109.20779	2.2
111.08035	2.1
119.08573	5.1
121.10120	5.2
123.11677	6.1
127.45394	2.3
133.10136	3.3
135.11693	8.5
139.11142	7.5
145.10114	2.7
145.85565	2.1
147.11668	9.0
149.09595	2.7
149.13254	3.6
159.11662	2.9
163.11174	2.2
163.14847	4.8
165.12729	2.8
167.14349	2.7
176.07082	2.5
192.08934	5.1
200.07420	4.0
204.08887	4.5
207.07913	2.3
208.08475	5.0
218.07242	2.3
219.07820	6.2
220.08328	8.8
222.06308	4.6
222.10017	4.8
223.10999	3.0
233.22626	2.8
234.10080	7.6
235.07590	5.9
235.10710	30.1
236.07881	27.3
237.08722	6.3
237.11371	2.4
243.21048	6.0
250.09770	8.6
251.10243	38.5
252.10463	4.3
254.11842	7.4
261.22089	11.1
265.12219	7.7
266.12561	100.0
267.12784	3.0
269.10568	3.5
274.86041	2.3
279.23206	25.0
282.11279	24.1
283.12125	4.5
297.13147	13.5
297.16806	21.1
298.10962	5.1
298.14371	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1118
Annotation	demethoxyegonol
Peak:m/z	Relative Intensity
53.03947	1.1
55.01619	1.0
55.01868	14.9
55.98339	0.7
67.05479	0.8
69.47100	0.6
71.05081	0.7
71.05480	2.0
72.08152	1.1
79.05476	3.9
81.07037	1.4
91.05470	4.1
93.07052	0.6
95.04958	8.6
97.02898	0.6
103.05475	2.7
105.07000	1.9
107.04947	100.0
108.05275	1.4
115.05479	1.6
117.07020	2.9
119.04930	4.8
121.02859	9.8
121.83165	0.6
123.04432	8.1
125.06004	0.9
128.06236	1.0
129.07001	1.4
131.04910	27.6
131.08569	0.7
132.05730	5.4
133.06482	3.0
135.04419	6.0
137.05858	0.8
143.04938	0.8
144.05682	0.9
145.06467	7.4
147.04387	8.3
149.05960	1.1
157.06470	3.9
158.07332	0.7
159.08037	1.6
161.05994	2.3
165.07022	1.1
167.06989	0.6
167.08522	0.8
168.62971	0.7
173.05939	4.2
175.07549	1.3
178.07764	1.1
179.08545	1.1
181.06558	0.8
185.06021	3.5
189.07050	1.1
190.07768	2.9
191.08530	1.9
194.07361	1.1
195.08000	1.4
202.07756	2.6
203.08553	3.6
204.09154	1.0
205.10144	2.3
206.07289	0.9
207.08047	2.3
208.08849	0.8
215.08537	9.1
218.07260	5.4
219.08009	2.3
221.09627	2.5
223.07578	1.5
224.08282	1.0
231.08035	4.0
232.08836	1.3
233.09622	8.4
234.06729	1.3
235.07593	2.6
237.09122	1.7
242.07278	1.3
243.08035	2.0
244.08885	0.9
249.09082	5.4
251.10704	2.1
261.09073	15.1
267.10135	32.3
268.10376	1.7
279.10135	27.3
297.11212	14.3
297.18784	1.2
297.21915	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.242
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
55.01862	8.9
55.05504	63.5
57.03422	7.4
57.06823	3.6
57.07074	38.8
58.03301	3.2
58.07405	5.5
67.05498	80.6
69.03416	4.9
69.07061	100.0
69.39025	24.1
69.39453	11.2
70.07409	22.2
70.07759	5.9
71.01339	9.3
71.04963	4.2
71.08601	12.7
79.05485	28.7
81.06573	6.5
81.07050	98.6
83.04959	9.5
83.08617	32.4
85.06538	8.4
91.05457	9.3
93.07042	27.0
95.08597	79.0
97.06483	7.8
97.10161	36.3
97.19048	3.2
99.08092	6.3
105.07015	9.1
107.08588	29.3
107.33390	3.5
109.10145	46.9
111.08070	4.7
111.11680	4.2
113.05967	5.6
115.07528	14.6
116.07887	6.5
117.07008	6.1
119.08522	8.3
120.82520	3.6
121.10136	16.5
123.11693	14.4
125.09611	25.3
128.99155	3.8
131.00687	8.3
131.08565	6.4
132.01085	4.6
133.10159	4.7
135.08032	6.5
135.11690	28.6
137.13237	10.8
141.12669	6.4
143.00713	9.5
144.01044	6.8
147.11659	6.8
149.09628	5.3
149.13182	6.1
153.12732	9.7
157.02304	4.1
158.02673	7.1
159.11664	4.4
161.13200	7.6
163.14810	7.0
169.15823	12.3
173.13293	5.3
183.13782	95.8
183.15337	7.5
189.11275	18.6
195.13698	3.8
199.06946	13.6
200.07320	31.2
223.86450	3.4
233.22653	4.0
243.21049	9.9
251.23685	17.5
261.21985	21.4
275.17715	4.2
279.23099	57.9
297.10147	17.2
297.24240	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	297.112
Annotation	demethoxyegonol
Peak:m/z	Relative Intensity
53.03939	2.8
55.01874	38.1
69.95306	8.6
79.05489	7.2
91.05463	10.7
93.34849	2.2
95.04958	15.7
98.20857	3.2
103.05490	11.2
105.07059	4.2
107.04953	100.0
115.05448	5.5
117.07040	5.1
119.04955	14.4
120.05712	2.1
121.02863	3.1
123.04429	15.0
128.06213	2.8
129.06995	3.1
131.04926	72.4
132.05751	13.7
133.06464	7.4
135.04408	17.1
145.06493	16.4
147.04413	22.7
155.04900	3.1
157.06516	9.3
161.06003	3.1
165.06912	3.1
173.05957	6.5
179.08588	2.6
185.05977	9.0
189.06976	3.2
190.07774	6.2
191.08557	4.0
193.10236	2.9
194.07257	2.6
202.07776	7.6
203.08524	12.1
205.10159	3.7
206.07202	3.1
207.08051	8.2
208.08804	4.6
209.09546	3.1
215.08543	18.4
218.07210	14.1
219.08002	5.8
221.09608	8.2
223.07591	3.3
224.08322	3.0
231.08002	14.6
232.08763	2.5
233.09680	12.8
235.07509	8.2
235.10887	2.0
236.08179	3.1
237.09109	3.9
243.08092	4.9
249.09055	11.6
251.10611	9.7
261.09113	47.4
266.12506	4.0
267.10165	66.6
279.10175	74.7
297.11179	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	297.1119
Annotation	demethoxyegonol
Peak:m/z	Relative Intensity
53.03929	3.1
53.31789	1.1
54.53392	1.4
55.01625	2.3
55.01870	35.3
55.05499	3.5
56.96552	2.1
57.07080	1.9
63.63161	1.1
67.05487	5.4
69.07060	2.5
69.65158	2.7
69.65571	7.1
70.04054	2.0
79.05495	10.2
81.03431	1.7
81.07057	7.6
84.50985	1.2
91.05478	12.9
93.07054	7.4
94.07365	1.7
95.04964	22.1
95.08597	4.9
97.06507	1.7
98.97558	2.0
103.05466	10.2
105.07021	4.3
107.04951	100.0
107.08593	2.9
108.05244	1.6
108.08033	1.2
109.10139	2.4
115.05447	5.0
116.98622	2.9
117.07008	4.4
119.04935	10.8
120.05788	1.4
121.02855	4.0
121.06506	14.4
121.10120	2.2
122.06810	7.0
123.04424	19.7
124.07547	2.4
125.05982	2.6
128.06250	2.6
129.06982	4.5
131.04919	72.4
132.05721	14.8
133.06456	6.2
133.10098	1.5
134.99663	3.0
135.04431	17.0
136.06149	3.8
137.05873	1.1
141.99843	1.3
144.05678	2.6
145.06467	16.9
145.10135	2.1
147.04399	18.8
149.05978	2.6
155.04889	4.0
157.06491	11.6
159.11736	1.7
161.05978	3.8
165.06981	3.5
173.05934	8.4
176.14333	4.1
177.06868	1.8
177.14658	6.1
178.07799	3.5
181.06494	1.4
185.05994	9.2
187.14877	1.6
189.06950	2.0
190.04904	1.4
190.07773	9.0
191.08545	3.7
193.10063	2.8
195.07974	2.6
202.07755	6.5
203.08582	11.6
204.09341	1.7
205.06390	2.2
205.10132	5.1
206.07149	3.2
207.08014	5.7
208.08820	1.6
209.09593	3.0
210.06712	2.3
215.08562	19.8
218.07268	13.6
219.07887	7.5
221.09511	10.9
223.07620	4.8
223.82129	1.5
224.08321	2.7
231.08072	12.4
232.08736	2.8
233.09608	20.2
234.06708	4.6
235.07570	7.8
236.08250	3.9
237.09148	4.1
240.62189	1.3
242.07295	1.8
243.08043	5.7
244.08667	2.1
247.07458	2.0
249.09087	10.4
250.09634	1.6
251.10704	8.9
260.08304	2.9
261.09091	43.4
261.83316	1.5
262.09573	1.4
267.10147	71.0
268.10452	1.8
274.97464	2.9
279.10156	75.2
279.23160	1.8
280.10498	4.5
292.98529	2.3
297.11154	12.5
297.20474	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	297.1121
Annotation	Gymnoascolide C
Peak:m/z	Relative Intensity
52.01107	0.3
52.48506	0.2
53.03943	0.4
53.12651	0.3
55.01876	0.8
55.05516	0.5
57.57114	0.3
61.69992	0.3
65.03915	0.4
67.05509	0.4
69.07079	0.4
70.06577	0.2
71.28368	0.4
71.42650	0.2
72.08167	0.3
74.21693	0.2
79.05499	1.5
81.07030	0.7
83.04999	0.3
86.09723	0.4
91.05462	0.6
93.07030	0.8
95.04941	1.6
104.10786	0.3
105.07050	0.3
106.76809	0.3
107.04952	100.0
108.05270	1.6
111.04465	0.5
117.07039	0.4
119.04953	0.5
121.02870	11.0
123.04403	0.5
129.06932	0.5
131.04929	1.7
133.06578	0.6
145.06494	1.8
147.04453	0.4
147.07980	0.5
157.06447	0.5
161.05971	1.7
173.05969	1.1
175.07549	2.1
192.08865	0.3
195.08131	0.3
203.08774	0.4
205.10217	0.3
207.94983	0.3
208.08496	0.6
215.08621	0.4
218.07196	0.6
219.07800	0.4
220.08354	0.6
222.06508	0.3
223.07698	0.3
233.09547	0.5
234.10228	0.5
235.07356	0.4
235.10777	2.0
236.07884	1.9
237.08656	0.6
250.09753	0.5
250.63403	0.3
251.10274	3.0
261.09109	1.3
265.12280	0.6
266.12579	5.9
267.10159	8.9
279.10095	1.0
282.11032	0.4
297.11136	10.3
297.16132	1.8
298.11636	0.5
298.14374	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.112
Annotation	Gymnoascolide C
Peak:m/z	Relative Intensity
51.02372	0.5
53.03937	0.4
55.01873	2.4
55.05516	1.1
56.96560	0.6
57.03429	0.7
57.07067	0.6
58.03784	0.4
67.05498	2.1
68.05826	0.6
69.07061	1.5
70.03505	1.7
70.03873	0.7
70.07403	0.7
71.04997	0.6
79.05499	2.8
80.05811	0.6
81.07054	3.2
82.07386	0.7
83.04962	0.4
86.09715	0.8
91.05463	2.7
92.05815	0.7
93.07037	2.2
94.07345	0.6
95.04971	4.0
95.08605	1.7
96.05302	1.0
96.08955	0.5
97.06528	1.0
98.06898	0.4
98.97596	0.5
104.10725	0.7
105.07035	1.5
107.04958	100.0
107.08602	1.1
108.05286	1.3
109.10142	0.8
111.04443	0.7
115.05460	0.8
116.98629	0.5
117.07021	1.3
119.08574	0.6
121.02869	9.5
121.06550	0.7
121.10117	0.4
123.04449	1.0
125.00002	0.3
129.07019	0.7
130.06525	0.4
131.04932	3.1
131.08597	0.5
132.05684	0.4
133.06512	1.1
134.10532	0.4
134.99675	0.6
135.11670	0.7
145.06508	2.4
147.04459	0.8
147.08102	0.5
155.06044	0.4
157.06483	0.7
159.11743	0.4
161.05931	1.7
165.07016	0.4
171.08011	0.4
173.06023	1.1
175.07614	1.6
177.12756	0.4
178.07741	0.4
180.08945	0.6
180.14655	0.9
181.14973	0.8
184.07385	1.0
185.05986	0.7
190.07758	0.4
191.08388	0.4
192.08932	0.7
196.67067	0.3
197.06070	0.4
200.07358	0.4
203.08566	0.7
204.09128	0.3
207.08055	0.6
208.08430	0.9
215.08481	0.5
218.07143	1.0
219.07759	0.8
220.08267	0.9
221.09460	0.5
222.06352	0.7
222.15741	0.7
223.16025	1.1
231.08241	0.4
233.09677	0.8
234.10220	0.8
235.07521	0.9
235.10748	4.3
236.07913	3.8
237.08746	1.0
238.09700	0.4
239.51451	0.3
249.09137	0.9
250.09810	1.2
251.10260	6.8
261.09140	1.8
265.12289	1.5
266.12582	14.1
266.15359	0.7
267.10159	9.9
274.97482	0.5
279.10223	1.9
292.98590	0.7
297.11176	10.5
297.16467	3.1
298.11459	0.4
298.14487	0.9
312.00574	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.9
56.96550	1.9
57.07071	34.4
58.07403	13.3
58.15623	0.9
60.56413	1.0
66.83091	0.9
67.05493	3.7
69.07063	100.0
69.51815	9.0
70.04067	2.0
70.07399	48.2
70.07825	7.2
71.08176	3.3
71.83827	1.0
79.05482	1.6
81.07037	3.3
83.04883	2.3
88.99707	1.4
91.05473	2.4
92.05797	1.0
95.08583	1.5
98.97572	4.5
100.80918	1.0
100.99688	5.0
102.00054	3.0
105.02863	1.1
107.04930	1.3
115.01309	2.9
115.06774	2.2
115.07558	28.9
116.01618	2.1
116.07890	15.7
116.98602	5.0
119.08563	1.7
121.10162	0.9
128.99164	9.9
129.99513	4.4
131.00734	14.2
132.01031	9.7
134.99622	2.2
143.00708	18.1
144.01039	12.8
146.90359	1.1
152.08235	5.4
153.08585	5.5
157.02275	5.8
158.02641	6.5
167.10529	3.6
168.10919	5.1
173.01079	1.2
177.00764	1.4
191.10277	1.5
199.06953	27.6
200.07315	79.3
227.06451	1.7
228.06793	5.8
250.89514	1.3
274.97391	3.6
292.98581	2.5
297.10049	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1121
Annotation	demethoxyegonol
Peak:m/z	Relative Intensity
55.01628	2.5
55.01872	33.5
55.05503	8.1
57.03432	3.0
57.07076	4.1
67.05502	15.3
69.03440	3.0
69.07078	7.2
70.06583	3.4
71.08627	3.0
71.58644	3.1
71.59018	2.6
79.05493	13.1
81.03425	4.2
81.07062	12.7
83.04990	3.2
83.08610	4.1
84.08133	4.1
85.06540	3.7
86.09709	8.1
91.05452	15.9
93.07049	9.8
93.40533	2.6
94.90315	2.3
95.04961	19.8
95.08581	6.8
97.02900	2.3
97.06553	3.9
100.83537	2.7
103.05463	8.4
104.03388	2.3
104.10719	4.1
105.07034	7.7
107.04959	100.0
107.08566	4.7
109.06464	3.0
109.10150	5.6
111.98278	2.3
115.05453	6.0
117.06991	7.0
119.04958	13.3
120.08103	4.3
121.02859	9.9
121.06494	5.0
121.10137	4.0
123.04435	22.2
123.08115	2.8
125.00042	2.6
125.05948	2.6
126.01611	2.7
128.06255	3.1
129.06958	6.6
131.04929	61.9
131.08591	2.4
132.05748	13.2
133.06497	8.9
135.04431	12.2
135.11642	2.8
136.06177	8.0
141.06944	2.7
145.06458	17.9
147.04422	21.4
149.06068	2.9
157.06464	11.8
161.06033	5.6
165.07028	5.2
169.06468	3.7
173.06013	9.5
178.07753	4.0
179.08525	6.8
180.08929	4.3
181.06439	5.2
184.07285	5.2
185.05988	8.3
189.06935	3.1
190.07751	10.2
191.08528	5.2
192.08871	5.9
193.10069	3.3
194.07242	5.3
195.08066	4.7
202.07826	5.9
202.21658	3.0
203.08571	9.8
204.09085	3.6
205.10136	5.4
207.08009	10.6
208.08606	7.4
215.08511	15.1
218.07274	11.6
219.07944	11.3
220.08481	8.9
221.09651	12.0
222.06334	4.3
223.07593	14.4
223.11073	4.2
224.08240	6.7
225.09076	6.2
231.08023	9.0
232.08852	6.0
233.09645	19.7
234.06779	4.2
234.10217	4.1
235.07556	12.1
235.10762	19.6
236.08031	33.3
237.09052	17.9
239.10854	3.9
243.08070	3.8
249.09079	11.7
250.09827	10.0
251.10294	38.9
261.09061	40.6
265.12335	7.7
266.12589	71.2
267.10156	51.0
268.10959	7.6
279.10184	61.5
279.16037	3.4
279.23135	3.1
280.10922	10.5
280.14700	2.4
297.11139	11.0
297.16769	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	296.2008
Annotation	Spirasine IX
Peak:m/z	Relative Intensity
51.02373	0.4
53.03944	2.5
57.07076	2.3
69.06713	0.7
69.07063	7.0
73.66734	0.4
76.19880	0.3
77.03938	0.5
87.57607	0.4
91.05478	11.0
93.07045	17.5
95.04980	4.1
98.21520	1.0
103.04781	0.7
103.05465	12.5
105.04497	1.4
115.07544	1.8
118.06548	4.3
121.06498	100.0
122.06842	0.9
128.99194	0.6
131.00725	1.4
131.06674	0.4
132.08095	1.5
133.08876	1.0
143.00739	1.3
146.09628	1.4
176.14342	70.4
177.14684	1.4
199.06981	4.8
296.09790	1.9
296.20078	92.1
297.20468	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	296.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.1
55.05499	0.9
56.05019	1.0
56.96557	0.9
57.07072	3.0
58.99576	0.7
67.05482	1.9
69.07069	9.6
70.06586	1.0
71.58930	0.9
72.08121	1.1
74.06076	1.0
79.05493	2.1
81.03422	0.8
81.07053	1.9
83.08601	0.7
84.08140	1.0
85.01102	2.0
86.09689	1.4
91.05469	2.3
93.07053	1.9
95.04961	2.0
95.08571	1.0
102.03772	1.5
102.05516	0.6
103.04118	0.8
103.05465	1.3
104.10773	1.0
105.06999	0.9
107.04951	13.9
107.08601	1.6
115.05436	0.8
115.07550	1.2
117.07070	1.2
119.04924	1.9
120.08111	1.5
121.02864	1.5
121.06501	0.7
121.08454	0.8
123.04456	3.6
124.99998	0.7
128.99164	1.1
129.06992	1.3
131.00728	1.2
131.04944	7.0
132.05705	0.9
133.06546	0.9
135.04424	1.5
135.11713	0.8
138.12090	0.6
143.00700	1.9
145.06474	2.5
147.04414	2.1
157.02246	0.8
157.06448	2.3
161.05904	1.1
165.06987	0.8
173.05974	1.0
178.07773	1.8
179.08542	5.5
181.06526	1.4
184.07391	0.8
189.07027	2.0
190.07759	3.5
191.08571	7.6
192.09212	0.8
193.10216	2.0
194.10684	0.7
195.07953	0.9
199.07011	6.1
202.07864	1.2
203.08612	4.7
204.09268	1.6
205.06485	1.5
205.10110	2.9
206.07185	1.5
207.08057	8.3
208.08638	1.8
209.09622	1.1
215.08546	2.2
217.06519	2.4
218.07265	5.2
219.08047	11.9
220.08670	2.0
221.06001	4.5
221.09616	5.9
222.06458	0.9
222.10272	2.2
223.07460	1.6
231.08107	1.7
232.08658	0.9
233.09639	7.4
234.10405	30.6
235.07541	34.3
235.11060	1.6
236.08255	6.3
237.09074	3.9
238.09775	0.8
249.09155	5.4
250.09897	49.5
251.10481	2.8
253.12392	0.8
261.09052	3.2
265.12241	100.0
266.12613	3.8
267.10196	6.4
278.09061	0.9
279.10211	4.5
296.09756	2.8
296.12863	4.5
296.16446	20.3
297.16785	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12343	0.8
53.00291	0.8
55.05507	2.9
56.96283	1.4
56.96560	21.1
56.96841	1.3
57.07069	29.5
58.07408	1.0
67.05503	2.3
69.07061	100.0
69.65985	5.3
70.04080	2.1
70.06567	0.8
70.07393	3.3
70.07841	8.5
72.96040	2.7
74.97604	1.8
83.04869	0.8
88.99704	0.9
91.05479	2.0
95.04937	0.9
97.26892	0.8
97.99189	1.1
100.99712	4.8
103.00738	1.0
110.03497	0.9
111.04436	1.2
115.01256	3.5
115.07558	26.8
116.00243	0.9
120.05292	0.9
121.01877	0.9
121.02837	1.8
124.00766	1.7
128.99168	10.5
131.00723	15.8
140.00201	2.3
142.01758	17.9
143.00711	19.1
147.04379	2.5
147.76111	0.7
148.04735	3.9
157.02278	8.1
158.01210	3.9
158.04921	2.7
160.02803	27.5
160.06500	2.8
162.08051	1.1
176.02348	1.0
176.05997	1.2
178.03864	2.8
178.07512	1.6
178.12297	1.2
180.09042	1.4
183.04451	1.7
186.08020	3.2
196.13353	2.7
198.07744	1.6
199.06950	69.7
200.07349	1.9
200.86035	0.9
202.07530	1.2
204.09061	39.7
211.11266	0.9
222.10112	22.8
227.06503	4.2
227.10645	6.2
229.12212	9.2
229.14272	1.0
245.11734	8.1
247.13376	3.5
255.10260	2.1
273.11185	29.3
287.37195	0.8
291.12259	41.1
296.09735	23.4
296.12756	2.0
296.18872	0.9
296.22415	1.9
311.29697	0.8
314.13855	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1282
Annotation	(-)-Roemeroline
Peak:m/z	Relative Intensity
51.02388	0.7
53.03941	0.7
53.40713	0.7
55.01864	2.0
55.05510	1.2
56.96558	1.0
57.03433	1.0
57.07072	3.4
58.21975	0.6
65.03922	1.8
67.05493	1.4
69.07071	7.5
70.06609	3.2
70.37099	2.6
71.16528	0.7
72.08153	2.8
78.10986	0.6
79.05491	7.7
80.31696	0.6
81.07061	1.6
84.08146	2.9
86.09698	0.7
86.71286	0.6
89.10258	0.6
89.79471	0.6
91.05481	77.0
92.05846	1.2
93.07041	2.3
95.04976	1.5
95.08574	0.7
103.05471	15.9
105.07036	12.7
107.04955	33.0
108.05287	1.6
115.05441	1.7
115.07538	2.4
117.06994	3.1
118.06555	1.2
119.04891	1.0
120.08108	22.8
120.08944	1.5
121.02876	1.3
121.06471	0.9
122.06024	1.6
123.04422	1.7
123.06354	1.1
128.06226	1.9
128.99152	0.8
129.07021	6.2
129.10249	1.0
130.06525	6.0
131.00737	1.0
131.04921	33.5
131.08577	1.1
132.05725	1.2
133.06506	4.3
143.00713	1.3
144.08080	3.9
145.06490	7.5
147.04401	0.7
148.07539	4.5
149.06012	2.3
157.02344	1.0
159.06796	9.8
160.07561	2.8
171.06792	1.3
172.07542	1.1
176.96928	1.2
178.07872	1.8
179.08606	4.8
183.08009	0.8
184.07384	0.8
189.07010	1.6
190.07805	2.0
191.08548	6.5
192.09183	0.8
192.97899	0.6
193.06523	0.8
193.10216	1.0
199.06976	5.4
202.08595	2.5
203.08560	5.7
204.09222	1.1
205.06537	1.0
205.10129	2.8
207.08032	8.3
208.08907	0.9
211.50703	0.8
215.08551	1.1
217.06487	2.1
218.07245	6.4
219.08072	9.4
220.08501	0.8
221.06007	3.7
221.09625	5.6
222.10353	2.0
223.11189	1.0
231.08110	1.2
233.09601	6.0
234.10406	29.6
235.07544	35.5
235.11099	1.4
236.08249	5.8
237.09207	1.4
249.09108	3.4
250.09871	43.5
250.12314	38.2
251.10368	1.0
251.12685	0.9
252.10045	1.0
260.13138	0.7
265.12238	97.8
266.12469	1.8
267.10187	0.8
279.10211	1.2
279.17831	4.5
280.09485	1.5
292.27148	0.8
296.12897	100.0
296.16394	20.4
297.13098	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1241
Annotation	Tyr-gly-gly
Peak:m/z	Relative Intensity
50.74988	0.8
55.05518	0.9
56.05030	1.4
56.96563	1.7
57.03433	1.1
57.07078	3.7
58.48870	0.9
60.04527	1.5
69.07066	12.5
70.06607	7.2
70.07856	1.4
70.11150	2.0
70.11556	2.3
72.08150	3.3
73.02934	1.1
74.06085	0.9
79.05488	1.0
84.04514	2.8
84.08150	9.9
85.02905	1.1
85.08471	1.7
86.09719	3.0
87.05597	12.3
88.04028	1.6
91.05477	12.1
95.04979	1.8
95.06087	3.0
100.99657	0.9
103.05442	1.1
107.04948	4.0
108.98019	0.8
109.02897	1.0
110.07175	3.9
112.72555	0.8
115.05061	5.5
115.07561	3.5
116.98650	1.1
119.04951	13.9
120.08155	1.0
121.08419	1.5
123.04425	11.9
128.99194	1.4
129.10242	3.8
131.00723	1.8
136.07578	100.0
137.07893	1.0
141.94872	0.9
143.00726	2.1
143.42567	1.0
143.84854	0.9
144.95869	1.5
147.03369	1.0
147.04347	4.2
148.07658	1.0
165.05479	23.4
165.06882	1.3
171.06741	1.4
178.07817	1.0
179.08536	4.7
182.08124	27.5
187.97072	1.1
190.07776	2.7
191.08560	5.3
192.06580	1.1
192.98116	0.9
193.09731	25.3
193.13361	2.0
199.07010	7.8
202.08507	3.9
203.08617	4.1
205.06525	1.0
205.10156	3.1
206.07425	1.0
207.08092	7.3
217.06592	2.1
218.07294	3.4
219.08052	10.0
220.08693	1.2
221.06029	2.9
221.09465	5.6
222.06927	1.0
222.10243	1.1
226.55101	0.9
233.09644	4.7
234.10393	32.8
235.07552	30.8
235.10065	0.8
235.99368	1.5
236.08417	5.7
237.09096	1.4
239.10258	6.5
249.09181	3.4
250.09883	40.8
251.10222	1.2
265.12238	85.1
266.12625	1.6
280.09708	2.1
296.09537	2.3
296.12842	9.5
296.16464	20.7
297.28894	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.7
57.07059	7.2
66.52622	2.0
67.05510	15.1
69.07071	18.9
70.65076	2.3
70.65418	6.1
71.08627	2.8
74.05516	2.0
79.05488	4.9
81.07063	19.2
83.04977	1.8
83.08639	9.5
91.05462	7.0
93.07028	8.8
95.08611	18.2
97.06526	3.3
97.10184	9.2
105.07031	7.9
107.08586	6.6
109.10168	9.6
111.11736	2.4
119.08563	5.6
121.10138	4.9
123.11720	5.0
125.13257	2.0
133.10133	5.6
135.11668	5.1
147.11685	4.3
149.13222	5.1
151.11227	2.4
157.22398	2.0
161.13275	5.6
162.96240	2.2
163.14827	2.6
175.14839	3.0
179.08557	7.1
191.08508	4.6
203.08626	3.7
205.10219	3.0
207.08072	5.7
218.07150	5.2
218.46680	2.1
219.08064	9.5
221.06046	4.0
221.09505	2.6
222.10312	2.2
233.09607	5.1
234.10381	28.5
235.07532	31.4
236.08298	6.6
238.83743	1.9
245.22702	16.2
249.09209	2.2
250.09885	47.6
263.23822	10.2
265.12234	100.0
296.12805	7.8
296.16431	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	296.058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
55.05499	2.1
55.93511	2.1
56.94297	3.1
57.07071	23.9
66.74900	0.9
67.05485	3.9
69.07063	79.6
69.25902	4.4
69.26333	5.3
70.04057	2.2
70.07429	1.5
70.07840	5.6
70.95864	3.0
71.93007	0.9
72.93782	13.0
73.94585	0.8
79.05489	1.1
81.03420	11.3
81.07043	2.7
87.51089	0.9
88.96896	2.2
90.94814	8.1
91.05466	3.9
93.03404	0.9
93.07040	2.1
95.04926	2.2
95.06075	8.6
95.08594	1.4
96.08118	1.8
98.20728	2.1
99.15472	1.1
100.99704	4.6
105.07028	2.2
107.04945	36.5
107.08611	1.2
108.08107	2.9
108.95863	3.5
115.01235	2.1
115.07558	21.8
116.96350	1.3
126.98404	2.5
128.96326	1.8
128.99181	8.1
130.97945	1.3
131.00734	11.8
134.97362	1.0
135.08038	2.0
136.95305	1.2
138.98409	3.9
142.51920	1.0
143.00703	14.6
144.99487	3.8
146.97441	1.6
147.08049	1.2
148.98996	2.2
149.00414	0.8
150.98422	1.2
154.97833	7.7
157.02275	5.2
158.97446	0.9
164.99991	4.0
165.03593	2.1
166.97888	4.0
168.99448	1.4
170.97427	1.0
172.98972	10.1
180.99440	4.3
184.98953	3.0
188.98367	1.3
188.99959	1.7
190.13380	23.2
190.14983	1.8
191.01498	1.3
192.99496	5.0
196.98982	2.1
199.00595	1.2
199.06960	59.5
207.01021	2.0
207.07932	1.1
209.02579	2.3
211.00470	2.7
213.01881	0.9
218.07449	1.0
219.00960	6.8
219.08057	2.6
220.99142	1.1
227.03621	8.0
227.06482	3.2
229.05194	2.9
232.09779	1.0
233.09663	1.2
233.40800	0.9
234.10426	4.6
235.07530	5.1
237.02077	25.9
246.47830	0.9
250.09854	10.2
253.01460	1.2
255.03137	24.3
265.12225	18.1
267.49161	1.0
273.04178	100.0
274.04449	1.8
278.04623	1.3
291.05176	5.1
296.05826	6.4
296.09747	21.9
296.17343	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	295.2266
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
51.15574	3.1
55.01875	91.3
55.05510	55.1
56.96562	11.5
57.03426	14.8
57.07073	17.9
63.27509	3.4
65.03931	4.3
67.05506	89.7
69.07070	53.5
70.07409	4.2
70.33441	11.7
70.33818	5.6
71.04999	15.9
71.08632	25.1
79.05491	62.8
81.03424	20.2
81.07056	100.0
83.04984	21.3
83.08627	39.2
85.06540	6.7
85.10190	21.6
86.09707	11.0
91.05476	73.3
93.07039	76.3
95.04977	60.1
95.08607	66.5
97.06544	41.5
97.10177	5.7
99.08085	20.6
104.10773	7.4
105.07029	58.6
107.04971	21.7
107.08599	40.5
109.06526	13.8
109.10152	27.6
111.04446	5.1
111.08080	91.2
113.09655	19.7
115.07597	3.9
117.07012	10.8
119.08583	42.5
121.06546	4.3
121.10155	23.3
123.08086	8.6
123.11729	8.7
125.09622	7.5
128.06195	4.3
129.07010	10.0
131.08562	14.4
133.06470	7.9
133.10118	31.1
135.11696	14.4
137.09621	8.8
139.11270	3.9
143.08574	12.2
145.10149	12.4
147.08066	4.3
147.11676	21.9
149.09647	12.0
149.13268	13.6
151.11186	24.7
153.79109	3.2
157.10136	9.4
159.11655	7.7
161.13268	25.8
163.11160	22.6
165.12764	33.0
171.11734	3.4
173.13257	4.7
175.11186	5.1
175.14839	11.6
177.12761	6.7
179.08498	3.6
179.14334	31.1
184.07333	6.1
185.13269	12.0
194.60730	3.9
198.07730	4.5
202.08704	3.6
203.08531	3.4
203.14296	8.2
207.08099	5.3
218.07164	5.4
219.08083	8.8
221.05806	3.5
221.09662	4.5
221.15337	18.4
221.17824	3.2
233.09583	4.2
234.10399	27.3
235.07545	28.1
236.08232	4.2
240.09950	3.9
241.19400	6.7
249.09109	4.0
249.22142	9.9
250.09956	42.8
255.12720	3.5
259.20438	16.0
265.12256	83.0
273.13776	14.8
277.21634	90.6
291.14835	6.7
295.19537	6.5
295.22711	55.1
296.12866	8.2
296.16437	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	295.2265
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
50.09821	2.1
53.03933	7.3
53.91799	2.1
55.01625	3.3
55.01869	42.0
55.05508	47.2
56.96550	3.4
57.03427	5.9
57.07076	15.7
60.34985	2.2
65.03928	2.2
67.05497	76.5
69.03403	3.8
69.07061	38.8
70.04062	3.5
71.04980	7.2
71.08627	35.6
79.05483	50.0
81.03414	20.1
81.07048	79.5
83.04969	15.4
83.08614	30.8
83.85700	2.4
84.08117	2.2
85.06520	6.6
85.10159	13.6
91.05470	41.7
93.07037	55.2
95.04955	24.2
95.08596	45.0
97.06527	26.1
97.10153	12.0
98.20740	3.6
99.08085	21.7
105.07020	39.6
107.04939	7.6
107.08590	31.6
109.06502	9.3
109.10132	18.4
111.08068	41.9
113.09640	18.2
117.07014	6.8
119.08574	22.2
121.06478	4.3
121.10123	19.8
122.86041	2.6
123.08101	6.4
123.11670	11.4
125.09598	8.1
129.07004	6.1
131.08553	8.8
133.06430	4.6
133.10143	21.5
135.08052	14.4
135.11714	16.7
137.09633	5.4
137.13190	3.4
139.11139	8.6
143.08600	6.1
145.10123	8.0
147.11667	29.0
149.09624	10.3
149.13234	16.5
151.11163	34.7
157.10132	4.7
158.56770	2.4
159.11667	4.8
161.13271	15.3
163.11179	13.7
163.14864	3.1
165.03702	6.1
165.12733	30.4
171.11655	3.0
175.11252	3.2
175.14809	5.0
177.12764	2.6
179.14293	13.6
185.13292	5.3
189.12653	3.3
193.15849	2.6
207.13867	3.8
207.97424	2.4
211.79553	2.6
221.15338	5.9
226.89801	5.4
229.16936	2.2
231.20996	4.5
238.03645	2.9
240.03413	4.0
241.19556	4.6
249.22183	6.9
259.20493	14.3
277.21622	100.0
295.22665	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
53.03946	4.9
55.01870	61.0
55.05509	69.2
57.03440	6.5
57.07073	18.2
60.12568	4.0
67.05503	100.0
67.79559	4.0
69.03435	4.5
69.07065	40.2
69.57825	23.9
71.05025	7.2
71.08631	45.5
79.05492	68.5
81.03420	14.2
81.07054	68.9
83.04980	15.7
83.08617	36.4
85.06544	8.5
85.10193	6.3
91.05482	54.1
93.07040	64.4
95.04973	19.4
95.08616	48.8
95.23105	4.2
97.06524	27.8
97.10168	29.0
99.08089	24.5
105.07026	34.4
107.04964	5.3
107.08591	34.7
109.06521	10.8
109.10161	27.7
111.08084	47.0
113.09634	15.7
117.06918	4.8
119.08585	30.2
121.10181	23.7
123.08070	14.0
123.11736	7.5
125.09638	23.0
127.11227	4.1
128.06232	5.7
128.52328	4.4
129.07007	6.6
131.08569	18.8
133.10147	26.6
135.11713	17.5
137.09608	6.0
139.11223	8.1
143.08548	20.0
145.10095	8.2
147.11684	19.6
149.09631	5.8
149.13211	8.7
151.11206	17.8
153.12746	5.5
159.11708	8.3
161.13251	16.0
163.11217	13.6
165.12755	27.9
171.12000	4.8
175.14842	12.2
179.14313	10.6
182.19254	4.6
185.13263	22.5
189.11221	22.4
201.41119	4.2
203.14313	9.7
224.49263	4.3
234.10391	9.5
235.07492	15.6
241.19508	7.9
249.22054	4.2
250.09920	13.4
259.20645	12.6
265.12271	32.9
277.21622	97.3
295.22681	71.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2264
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03951	1.7
55.01864	3.1
55.05507	19.1
57.03434	3.2
57.07074	6.2
63.35884	1.4
67.05505	30.8
69.03442	1.5
69.05084	1.3
69.07066	28.2
70.63559	4.2
71.04980	2.9
71.48603	1.5
79.05492	25.9
81.07054	39.2
83.04980	6.1
83.08612	8.1
85.06559	3.1
89.00849	1.3
91.05488	19.6
93.07043	35.1
95.04955	5.3
95.08607	30.4
97.06523	11.4
97.10190	3.4
99.39605	1.3
102.18024	1.3
105.07030	19.7
107.08589	30.5
109.06517	6.4
109.10151	15.4
111.08109	3.0
113.66669	1.4
117.07019	4.8
119.08591	12.0
121.06555	2.0
121.10150	17.5
122.62249	1.3
123.08083	4.1
123.11702	3.0
125.09634	2.4
129.07024	2.5
131.08560	8.1
133.10123	7.6
135.11681	23.9
137.07993	1.5
137.09619	2.3
143.08569	3.2
145.10150	7.8
147.08116	1.8
147.11674	14.0
149.09648	2.2
149.13252	12.9
151.11209	3.2
157.10074	2.1
159.11736	4.4
161.13260	5.1
163.11194	5.6
163.14886	2.7
165.12764	3.1
171.11757	3.3
173.13254	3.8
175.14832	5.1
177.12746	1.4
179.14328	2.5
185.13303	4.2
189.12697	2.4
193.15848	2.1
195.13754	1.6
199.07028	1.3
199.14810	1.5
203.14253	2.6
207.08072	1.7
207.13808	6.6
209.15320	1.8
213.16229	2.0
219.07968	1.8
221.15370	9.0
227.94995	1.4
231.21027	1.6
233.09698	1.8
234.10373	5.0
235.07536	5.7
235.17014	2.3
241.19559	7.1
249.22299	1.6
250.09973	4.9
259.20596	20.6
265.12289	14.5
277.21625	100.0
278.22168	2.0
295.22632	8.0
296.16586	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
51.06511	3.3
53.03948	7.4
55.01868	31.3
55.05511	42.0
57.03434	5.8
57.07078	34.3
58.07426	2.7
65.03954	3.7
67.05503	68.2
69.03427	4.1
69.07065	100.0
69.84756	12.9
70.07399	14.5
70.07787	3.0
70.39628	2.7
71.04996	3.5
71.08628	24.2
79.05488	39.0
81.03413	18.8
81.07050	63.0
83.04982	20.6
83.08621	24.5
83.60400	3.3
85.06533	4.9
85.10171	9.2
91.05476	32.0
93.07035	47.7
95.04973	19.6
95.08600	40.0
97.06515	16.2
97.10186	10.8
98.20777	4.7
99.08086	15.6
101.06113	2.5
105.07027	22.9
107.08599	25.8
109.06518	9.8
109.10162	22.0
111.08082	30.3
113.09663	9.0
115.07562	24.1
116.07891	4.7
117.07005	3.3
119.08578	15.8
121.10129	19.2
123.08072	9.2
123.11723	6.6
125.09629	10.1
127.99795	3.0
128.99210	3.7
129.01064	4.9
131.00735	5.7
131.08595	5.0
133.10136	17.5
135.08098	4.7
135.11691	15.0
137.09647	7.9
139.11157	8.3
141.01010	5.2
142.01360	4.0
143.00781	9.4
145.10129	7.3
147.08046	3.0
147.11673	18.3
149.09624	7.5
149.13283	11.8
150.49889	3.1
151.11188	27.3
153.12724	4.3
157.10120	4.7
159.11688	3.5
161.13277	10.8
163.11195	8.7
165.12761	20.0
171.11711	3.5
175.14786	2.6
179.14281	10.0
179.26492	2.7
181.12228	4.0
185.13179	2.9
189.11250	3.5
197.07292	11.3
198.07571	18.9
199.06975	20.3
221.15431	5.2
226.89871	11.5
231.20955	2.9
235.16866	3.9
241.19531	5.6
249.22256	5.3
259.20581	9.4
277.21594	94.2
295.10327	8.0
295.22705	43.0
296.09818	6.4
311.24905	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	295.2268
Annotation	9-HOTrE
Peak:m/z	Relative Intensity
53.03953	2.6
55.01871	8.5
55.05520	11.7
57.07059	3.1
59.04992	1.9
67.05509	35.6
69.07070	100.0
71.08631	2.9
71.43750	3.3
79.05494	22.8
81.03414	5.4
81.07053	46.6
83.04986	6.9
83.08620	8.0
85.06571	2.3
91.05479	20.6
93.07039	25.6
95.04970	7.5
95.08606	33.4
97.06522	20.9
97.10145	4.5
99.08094	5.6
105.07032	22.6
107.08602	17.8
109.06518	4.6
109.10146	5.2
111.08064	4.2
117.07011	2.2
119.08595	18.6
121.10156	16.0
123.08087	7.2
125.09637	23.1
129.07008	5.9
131.08575	5.4
133.10155	13.6
135.11710	15.8
143.08582	3.8
145.10126	5.7
147.11691	29.6
149.13289	4.7
150.06856	2.1
151.11197	11.1
157.10072	2.1
159.11679	4.5
161.13239	13.3
163.11163	5.2
163.14857	5.5
165.12759	9.5
171.11728	10.5
173.13159	2.2
179.14249	3.1
189.12762	9.1
199.14929	2.4
207.13852	3.3
234.10329	3.1
235.07573	3.0
238.45950	2.1
241.19698	3.9
250.09908	3.1
259.20609	10.0
265.12161	9.6
277.21680	31.3
295.22537	6.7
296.16641	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	295.2266
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
52.56366	3.0
55.01871	47.7
55.05301	3.2
55.05510	36.5
57.07086	21.0
63.34768	3.1
67.05507	38.0
67.24536	3.5
68.05812	4.3
69.07062	57.1
69.10517	3.6
69.33757	11.8
69.34171	22.8
70.07379	8.1
71.08620	10.8
71.66138	3.5
79.05486	23.5
81.03403	11.0
81.07050	40.0
82.07352	4.8
83.04979	8.9
83.08614	19.9
86.06041	13.4
91.05476	21.2
93.07051	25.7
94.07355	5.7
95.04951	15.0
95.08603	32.1
97.06517	12.5
97.10159	8.1
99.08082	6.7
105.07026	17.3
107.08597	17.6
109.06541	5.3
109.10155	10.7
111.08081	40.5
113.09650	11.1
115.07588	6.4
119.08580	9.7
121.10098	9.8
123.08045	5.3
128.99211	4.0
133.10109	15.5
134.10428	3.3
135.11708	6.2
140.39879	3.6
141.28995	3.3
147.11699	7.1
148.76598	3.7
149.09589	5.4
149.13225	5.2
151.11162	12.9
161.13226	7.6
165.12721	15.4
171.64439	3.5
179.08560	3.5
179.14258	5.7
191.08572	5.3
197.07156	4.3
198.07651	13.8
199.06996	11.2
202.08423	3.8
203.08545	4.6
207.08069	9.0
219.08139	10.6
221.09633	5.0
233.09694	6.3
234.10411	31.4
235.07518	39.1
236.08250	5.9
249.22293	4.0
250.09866	46.1
259.20456	8.4
265.12241	100.0
277.21582	43.2
295.22708	31.4
295.28110	17.9
296.09772	5.6
296.12857	8.9
296.16415	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	295.2266
Annotation	Colneleate
Peak:m/z	Relative Intensity
55.01867	9.9
55.05514	21.1
57.07069	8.2
65.03933	2.9
67.05504	96.1
69.03458	2.7
69.07068	27.0
70.18775	6.7
70.19176	6.1
71.08633	6.5
74.89059	2.6
79.05492	31.2
81.07051	100.0
83.04960	8.2
83.08626	15.8
87.04465	3.2
91.05491	21.3
93.07046	25.5
95.04994	5.3
95.08602	65.3
97.06526	4.7
97.10149	3.6
99.08094	5.1
101.06011	5.7
103.57837	2.9
105.07045	12.0
107.04911	2.9
107.08603	11.1
109.06516	3.3
109.10153	36.2
111.08079	9.4
115.03906	3.9
119.08572	10.5
121.10133	9.4
123.11723	21.9
125.09592	4.4
133.10127	11.0
135.11714	8.7
137.13235	11.1
139.11108	5.4
147.11710	4.4
147.25490	2.9
149.13239	6.3
151.11150	5.0
151.14867	3.4
151.71529	2.8
161.13263	6.2
165.12756	3.2
179.14262	3.3
193.94926	3.0
198.07648	5.4
199.06976	3.2
210.84750	2.8
234.10382	4.0
235.07492	5.9
249.21933	3.8
250.09895	9.0
265.12216	22.6
277.21628	20.7
285.90332	2.9
295.22571	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	9-HOTrE
Peak:m/z	Relative Intensity
51.60592	2.7
51.78511	2.7
53.03936	5.9
54.33041	2.6
55.01875	29.5
55.05266	4.3
55.05513	63.0
57.03422	7.6
63.75220	2.6
65.03934	4.0
67.05507	100.0
69.07072	76.3
69.07448	2.4
71.04971	7.8
71.43682	4.9
73.92070	2.5
77.56418	2.4
79.05494	48.4
81.03423	3.9
81.07059	95.3
83.04988	17.3
83.08619	32.6
85.06538	8.4
91.05482	34.5
93.07048	56.6
95.04967	8.2
95.08611	72.3
96.96297	2.9
97.06534	33.5
97.10177	21.4
99.08070	7.3
100.72878	2.6
105.07035	30.3
107.08593	40.6
109.06516	9.7
109.10161	27.3
111.08069	9.0
117.07033	5.2
119.08600	25.4
121.10151	34.0
123.08056	5.7
123.11706	9.7
125.09632	21.1
129.07028	6.7
131.08571	8.7
133.10118	21.9
135.08003	3.8
135.11685	26.1
137.05997	12.2
137.09595	4.5
138.06284	9.9
139.11166	9.5
145.10130	4.2
147.11690	24.9
149.09625	4.5
149.13242	13.3
151.11188	11.1
157.10144	4.8
159.11671	3.7
161.13234	10.8
163.11182	4.2
163.14859	5.1
163.43457	2.6
165.12755	13.2
171.11691	6.5
173.13234	4.1
175.14847	3.2
179.14267	3.2
185.13327	4.4
189.11191	6.9
189.12738	4.8
231.20963	2.8
241.19576	6.3
249.22202	4.4
250.09982	3.2
259.20590	15.4
265.12128	8.5
277.21628	67.5
295.22617	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	295.2268
Annotation	9-HOTrE
Peak:m/z	Relative Intensity
53.03937	10.3
55.01873	31.6
55.05266	4.1
55.05511	54.0
57.03434	7.2
57.07064	12.2
67.05504	100.0
69.03421	6.8
69.07072	41.6
69.29396	30.6
71.04993	7.8
71.08623	18.4
79.05500	56.6
81.03416	14.3
81.07058	94.1
83.04980	26.0
83.08615	26.2
85.06551	4.5
85.10184	7.2
86.09339	2.8
91.05484	43.2
93.07042	61.4
95.04988	19.2
95.08606	59.3
97.06533	18.6
97.10162	14.1
98.21464	6.1
99.08089	13.1
105.07028	28.7
107.04936	5.1
107.08588	27.6
109.06499	9.4
109.10144	21.8
110.57483	2.9
111.08088	36.6
113.09648	6.3
117.06992	7.7
118.81333	2.7
119.08571	21.6
121.10116	23.4
123.08049	8.5
123.11681	11.0
125.09644	8.8
129.07004	7.0
131.08556	8.2
133.10156	32.3
135.08070	4.0
135.11711	22.4
137.09625	5.3
139.11189	8.5
145.10124	4.5
147.11676	18.7
149.09541	8.0
149.13226	16.5
151.11194	19.0
153.12733	3.2
157.10138	7.9
159.11708	4.7
161.13271	13.7
163.11111	4.3
165.12747	16.0
171.11621	4.4
175.11238	6.5
175.14798	7.1
179.14326	7.8
181.12376	3.0
184.40413	3.1
185.13326	3.5
189.11209	3.7
189.12770	4.3
193.12236	3.8
195.13777	3.4
207.13831	6.2
221.15294	5.4
230.77660	3.2
231.21184	4.2
234.10294	4.4
235.07521	6.3
241.19507	4.9
249.22038	4.0
250.09862	5.0
259.20599	8.9
265.12180	9.7
277.18762	5.8
277.21628	66.3
295.22659	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03940	5.1
54.15643	3.6
55.01841	5.0
55.05514	36.9
55.88567	3.7
57.07067	25.0
57.74738	4.5
57.91343	3.7
66.77339	4.1
67.05500	82.2
69.07063	100.0
70.07388	21.0
70.07775	6.7
71.08630	35.9
79.05484	47.0
81.03430	5.9
81.07054	64.6
83.04971	7.4
83.08611	17.7
85.06551	4.3
91.05481	26.0
93.07040	58.2
95.04941	9.4
95.08609	43.5
97.06508	10.1
97.10159	18.1
99.08089	29.8
105.07041	13.2
107.08591	44.0
109.09543	5.7
109.10163	56.5
115.07555	17.4
116.07903	5.8
117.07051	6.5
119.08590	11.9
121.10151	32.7
123.08102	5.1
125.09641	21.8
126.99445	5.2
129.01041	5.1
131.00749	4.8
133.10123	11.4
135.11687	37.9
143.00710	9.0
145.10127	4.7
147.11673	6.1
149.13252	9.2
151.11163	14.4
161.13231	7.3
177.12718	5.9
179.14305	73.8
189.11177	13.5
195.13852	5.7
197.07286	9.3
198.07587	25.4
199.07001	30.6
229.99838	8.0
235.16856	7.3
241.19540	6.1
259.20544	9.2
277.21600	51.9
286.16473	4.4
295.10226	11.5
295.22714	9.1
296.09811	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	295.2267
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
55.01854	4.5
55.05508	13.9
57.07071	6.2
64.67882	1.2
65.03930	3.4
67.05504	95.4
69.03422	2.1
69.07068	15.1
70.07374	1.4
70.84515	3.1
70.84862	1.3
71.04957	1.3
71.08612	5.0
79.05068	1.4
79.05495	18.6
81.03438	1.4
81.07054	100.0
83.04948	2.5
83.08617	8.1
85.06487	1.4
87.04462	4.8
91.05472	10.2
93.07040	15.8
95.04940	3.9
95.08603	68.8
97.06514	3.9
97.10178	3.0
99.08078	3.9
101.05986	3.3
105.07040	7.6
107.04881	1.3
107.08614	6.7
109.10149	35.3
111.08086	6.1
115.03950	1.5
115.07556	1.9
117.91929	1.1
119.08580	7.3
119.77843	1.2
121.10107	4.4
123.11697	18.6
129.05498	1.8
133.10141	5.8
135.11693	6.8
137.13261	7.8
142.35168	1.2
145.10052	1.3
147.11685	4.2
149.13252	4.5
151.11188	3.7
151.14799	1.7
161.13220	3.3
163.11259	2.4
163.14885	2.0
165.12749	3.2
171.11787	1.6
175.14761	2.4
179.08495	2.2
179.14336	2.1
185.13194	1.2
190.07761	1.4
191.08617	2.6
198.07628	2.2
199.06975	2.6
203.08653	1.6
205.10049	2.4
207.07919	2.8
218.07310	3.0
219.08002	4.3
221.06000	3.0
221.09604	2.3
226.46931	1.4
233.09578	3.6
234.10405	11.9
235.07533	11.2
236.08331	2.6
239.16501	1.4
241.19493	1.5
249.22203	3.1
250.09851	22.5
265.12241	41.2
277.21579	7.2
280.12912	1.5
295.22717	23.3
296.12796	3.9
296.16422	6.8
298.84085	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
51.85593	5.3
53.94629	4.9
55.01872	9.9
55.05513	16.0
57.03430	12.0
57.07062	7.0
65.64510	5.2
67.05502	51.5
69.07059	16.3
71.08628	100.0
79.05489	47.1
81.07065	65.6
83.04964	5.2
83.08619	13.0
85.06555	6.8
91.05478	27.7
93.07044	42.1
95.04977	8.3
95.08614	28.4
97.06547	13.4
99.08095	91.1
105.07040	15.7
107.08596	15.7
109.10146	13.3
110.12940	4.8
111.08084	10.3
117.07037	18.0
119.08584	18.6
121.10146	21.9
123.08089	6.2
127.11185	5.4
129.06998	6.2
131.08501	8.0
133.10156	13.8
135.11668	13.1
141.12749	8.6
143.08571	6.6
145.10126	41.6
149.13257	7.0
151.11223	12.5
159.11673	5.7
161.13243	24.1
163.11209	26.9
171.11714	10.7
175.14702	5.7
179.14326	12.2
189.91154	5.2
193.15868	6.5
194.60849	5.1
205.15753	5.7
234.10378	20.2
235.07513	17.2
241.19518	9.5
250.09921	25.6
259.20572	19.1
263.10843	7.2
265.12222	62.3
265.14761	5.9
277.21619	37.5
292.65802	5.2
296.12891	10.9
296.16409	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	295.2264
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03928	11.9
55.01864	4.8
55.05502	24.4
57.07073	26.6
58.07389	4.1
64.45732	2.9
67.05158	4.2
67.05498	46.8
69.07066	100.0
70.07415	14.0
70.07762	3.8
74.15122	2.5
77.05750	2.5
79.05489	30.1
81.03412	60.7
81.07053	52.9
83.04992	15.2
83.05379	2.8
83.08621	9.9
91.05456	18.6
93.07029	33.7
94.41962	2.6
95.04958	31.9
95.08598	16.3
97.10146	8.8
99.08073	3.0
105.07008	16.9
107.08588	19.9
109.06467	6.3
109.10148	13.7
111.08098	3.3
115.07558	24.4
116.07878	5.6
117.06965	3.4
119.08574	12.2
121.10112	10.4
123.08088	3.3
123.11719	7.3
125.09624	6.5
128.99147	4.7
129.00996	6.1
129.06966	3.6
130.01378	2.9
131.00694	5.7
133.10136	13.9
135.07991	6.1
135.11673	8.7
141.01080	6.7
143.00681	3.6
147.07910	2.6
147.11642	11.4
149.13258	6.2
151.11174	41.6
153.09029	4.1
157.02252	3.7
157.10188	3.1
161.13252	11.9
163.14871	4.0
165.12703	11.2
175.11223	3.1
175.14851	5.4
179.14360	4.9
189.12697	4.7
197.07224	7.9
198.07626	26.0
199.06978	31.0
207.13872	5.6
221.15457	3.2
229.34787	3.4
231.21086	9.7
235.16821	3.5
241.19443	4.7
249.22137	5.5
259.20544	8.1
274.32227	3.0
277.21619	69.2
295.10324	12.6
295.22769	3.3
296.09668	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03932	4.5
53.11449	2.9
55.01862	7.8
55.05510	29.5
57.03419	4.7
57.07074	16.4
65.03928	3.2
67.05500	100.0
69.03429	3.5
69.07066	48.1
71.04970	7.6
71.08611	8.5
71.58994	4.2
79.05488	37.8
81.03407	3.2
81.06580	5.4
81.07053	95.7
83.04982	13.4
83.08620	20.6
85.06552	5.9
85.29976	3.0
87.04491	4.0
91.05466	26.8
93.07037	39.4
95.04971	25.4
95.08605	84.0
96.37798	3.1
97.06509	6.5
99.08111	6.6
101.06002	4.3
103.05444	4.3
105.07029	48.3
107.04975	3.6
107.08588	18.8
109.06522	7.1
109.10158	31.5
111.08081	4.3
115.03865	3.6
115.07607	4.7
117.07005	6.0
119.08543	19.4
121.10122	18.0
123.08063	12.3
123.11703	12.5
125.09624	5.1
129.07030	6.0
131.08582	7.2
133.06485	17.2
133.10139	16.6
134.07260	9.5
135.08069	30.9
135.11674	11.0
137.09645	7.8
137.13283	6.4
139.11162	9.0
143.08635	4.2
145.10104	4.4
146.08290	3.2
147.11674	13.5
149.13252	10.0
151.07532	8.7
157.10100	3.7
159.11763	3.5
161.13226	15.3
165.03690	14.4
165.12744	51.6
175.11151	4.6
175.14775	8.1
177.12708	4.3
179.05217	3.5
179.14334	4.4
185.13194	3.8
191.08551	3.4
198.07646	4.5
199.06973	6.8
221.09570	4.1
230.09625	3.1
231.21109	8.1
234.10393	12.1
235.07516	10.7
241.19376	6.1
247.82332	3.7
249.22119	11.4
250.09839	19.1
259.20764	15.5
265.12256	38.3
277.16562	6.0
277.21622	80.8
295.22653	29.0
296.16592	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	295.2267
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
50.23746	1.6
53.03948	9.5
55.01872	6.3
55.05509	12.1
57.07076	4.2
67.05506	26.3
69.07074	26.6
70.85464	4.8
71.08609	2.8
79.05505	16.9
81.03422	31.7
81.07064	21.7
83.04987	8.5
83.08622	8.2
91.05485	14.9
93.07050	19.3
95.04971	18.5
95.08623	9.3
97.06541	3.2
97.10139	3.6
105.07037	13.8
107.08604	12.0
108.74360	1.8
109.06506	3.5
109.10152	4.1
109.52240	1.7
111.08099	2.7
119.08582	5.8
121.06487	1.7
121.10145	5.8
123.08081	2.5
123.11741	2.6
125.09651	4.6
131.08571	2.9
133.06494	4.1
133.10172	9.1
135.08061	7.1
135.11726	4.8
147.11673	6.3
149.13255	3.2
151.11203	18.6
161.13268	7.6
163.14833	2.2
165.03671	2.3
165.12761	3.3
171.06799	3.0
173.13193	2.0
175.14761	2.4
179.08517	3.3
179.14301	2.7
185.13229	2.8
189.12776	1.8
190.07764	2.5
191.08571	3.5
199.07007	2.0
202.08749	8.5
203.08606	2.8
205.10162	3.5
207.08098	5.6
207.13841	2.3
217.06496	1.9
218.07275	4.8
219.08112	9.8
221.06078	2.8
221.09641	4.4
221.15417	2.3
231.21080	3.0
233.09665	3.5
234.10384	26.6
235.07536	31.0
236.08372	5.2
241.19440	3.0
249.09155	3.5
249.22124	3.4
250.09872	39.0
259.20569	3.9
265.12247	100.0
277.21609	33.4
280.09619	2.9
295.15204	2.3
295.22641	2.9
296.12839	29.2
296.16464	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	295.2267
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03931	7.0
55.01867	8.8
55.05513	25.4
57.03429	7.4
57.07075	13.3
67.05506	52.3
69.03418	2.8
69.07069	51.3
70.07396	5.5
70.78281	4.6
70.78603	3.1
71.04993	5.0
71.08629	27.5
79.05486	27.8
81.03423	17.8
81.07058	40.7
82.07398	2.4
83.04970	13.8
83.08619	8.8
85.06544	5.5
86.06071	2.3
87.06360	2.1
91.05486	20.7
93.07043	39.0
94.07370	2.5
95.04966	22.8
95.08608	27.8
97.06544	10.4
97.10168	8.1
99.08108	14.5
105.07018	13.2
107.04923	2.6
107.08590	15.0
109.06516	5.4
109.10155	16.3
111.08065	5.1
115.07517	2.4
115.16863	2.0
117.07069	3.3
119.08573	9.7
121.10165	12.7
123.08026	3.7
123.11729	3.8
128.99138	3.1
131.08530	3.6
133.10118	9.5
135.11693	8.5
137.09631	10.0
139.11179	6.1
143.00697	3.3
145.10136	3.6
147.11707	4.6
149.13281	4.5
151.11200	23.2
157.10031	2.0
161.13277	5.0
163.11176	3.1
165.12823	3.2
171.11734	2.8
175.14816	2.2
179.08597	2.8
179.14325	6.8
185.11769	2.1
185.13263	3.6
190.07854	2.3
191.08546	5.1
197.07295	2.6
198.07645	6.7
199.07002	10.1
203.08542	5.1
205.10040	2.8
207.08069	5.5
218.07375	6.4
219.08064	9.5
221.06036	3.6
221.09612	4.9
221.15393	5.5
233.09489	2.3
234.10402	29.0
235.07562	25.6
236.08299	2.1
250.09924	38.9
265.12253	77.1
277.21634	70.9
278.21921	2.1
295.22681	100.0
295.27921	3.8
296.13022	4.5
296.16437	15.7
296.22821	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	295.2267
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
52.98031	2.1
53.03949	4.3
55.01871	17.9
55.05270	3.0
55.05514	33.4
57.03424	9.0
57.07076	75.7
64.08894	2.3
64.93961	2.3
65.03931	2.5
67.05502	52.0
69.03424	5.5
69.07068	87.7
70.07391	11.4
70.07780	3.8
71.04981	5.7
71.08624	8.2
72.01405	2.1
73.02918	13.1
74.32850	2.0
79.05486	34.4
81.03442	6.9
81.07057	62.4
83.04984	15.8
83.08616	26.1
85.02425	4.2
85.02906	58.0
85.06544	3.8
85.10187	4.3
91.05479	28.7
93.07048	40.3
95.04967	14.1
95.08604	39.0
97.06528	14.2
97.10170	6.7
99.08088	5.8
101.02383	28.4
105.07030	17.9
106.76489	2.4
107.04954	3.0
107.08601	21.9
109.06544	5.9
109.10161	15.7
111.08080	13.0
111.11685	2.5
113.05986	2.3
113.09671	3.9
115.07550	9.8
115.81938	2.9
116.07870	3.1
119.08590	23.1
121.06506	3.4
121.10140	24.7
123.08076	8.7
123.11674	4.9
125.09654	4.9
128.06232	2.9
129.01012	3.8
129.06996	4.5
131.00717	7.3
131.08553	8.6
133.06506	8.3
133.10127	25.5
135.11688	17.6
137.05966	10.9
137.09639	6.1
137.13248	3.2
137.50171	3.2
139.11156	21.4
139.69850	2.3
141.00998	2.7
142.01357	2.9
143.00771	7.6
145.10124	5.7
147.11688	13.1
149.09630	3.1
149.13261	6.5
151.11212	8.3
153.12772	7.3
154.22758	2.6
157.10078	4.0
158.72838	2.4
159.11716	4.4
160.08842	4.4
161.09637	7.1
161.13283	5.7
163.11165	2.9
165.05510	7.6
165.12782	5.5
171.06802	4.9
173.13220	3.5
175.11182	24.2
178.07855	2.6
179.08553	4.5
179.10663	4.6
179.14290	4.9
190.07750	2.8
191.08609	5.8
193.12216	21.5
195.17557	3.3
197.07275	6.9
198.07629	20.3
199.06990	20.7
202.08652	7.8
203.08569	6.4
203.10431	2.4
205.10107	4.4
207.08047	9.8
207.13771	3.1
218.07211	3.8
219.07993	11.6
221.05937	4.2
221.09706	4.4
221.11719	53.7
221.15167	3.8
226.07104	4.0
229.46611	2.4
233.09538	4.4
234.10411	41.4
235.07545	33.6
236.08263	5.2
239.12779	13.7
249.09233	3.6
250.09892	56.7
259.20544	10.2
265.12247	100.0
277.21622	37.8
295.10492	6.6
295.15347	3.5
295.19083	7.1
295.22687	19.8
296.09662	7.2
296.12820	14.7
296.16440	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	295.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.0
55.01867	14.6
55.05512	12.0
57.07071	19.2
58.07399	1.8
65.03941	1.8
67.05505	25.8
69.03421	2.6
69.07069	33.4
70.07373	2.2
71.08271	2.7
71.08629	23.0
78.45812	1.7
79.05489	27.1
79.58804	1.7
80.48785	1.9
81.07061	27.2
83.04974	4.7
83.08627	10.8
85.06554	1.9
85.10193	3.7
86.09705	5.4
87.02691	2.8
91.05478	21.2
93.07035	19.8
95.04943	8.7
95.08607	19.1
97.06543	16.9
97.10148	3.3
97.65553	1.6
99.08116	9.5
102.51091	1.8
103.05468	10.4
104.10728	7.7
105.07033	73.7
106.07806	6.4
107.04939	3.5
107.08604	13.4
109.06502	2.8
109.10137	6.8
111.08096	3.7
113.09650	1.9
115.07560	2.8
116.04925	1.6
117.07024	2.4
119.08613	9.6
121.06478	1.8
121.10141	11.3
123.11684	4.0
124.99960	2.1
125.09636	3.2
131.08524	3.1
133.06500	33.5
133.10138	7.0
134.07263	19.7
135.08061	75.1
135.11687	9.4
137.04256	3.3
139.11192	2.2
143.08762	3.3
146.01732	1.9
147.11656	8.9
149.13303	5.1
151.07544	15.5
151.11140	8.7
161.09566	2.6
161.13277	5.0
163.11157	3.7
165.02440	1.7
165.03714	37.0
165.12715	3.8
167.05287	8.7
171.06845	4.2
173.13290	2.0
179.05252	11.4
179.08549	3.3
179.14287	9.2
184.07376	1.9
189.12650	2.8
191.08569	6.0
198.07616	3.0
199.07065	4.5
202.08763	8.0
203.08585	3.6
205.10054	1.8
207.08051	7.4
213.94324	3.5
214.94002	3.7
217.06465	2.6
218.07303	3.7
219.08043	13.0
221.06015	4.4
221.09572	4.7
233.09601	3.4
234.10428	28.8
235.07530	34.3
236.08315	6.6
240.10068	2.1
241.19452	2.7
249.22282	2.2
250.07355	3.6
250.09891	48.9
254.00769	1.9
256.00378	6.7
259.20596	3.5
265.12247	100.0
273.01746	2.3
277.16336	13.6
277.21570	26.2
280.09583	3.6
295.17258	6.4
295.22650	6.2
296.09506	2.2
296.12787	30.8
296.16412	18.0
306.17651	1.9
311.03204	2.9
312.03119	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	295.2267
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03938	5.3
55.01870	22.4
55.05507	42.7
57.03408	4.5
57.07079	16.1
62.26548	2.6
65.03946	3.3
67.05505	100.0
68.05836	2.8
69.03420	6.1
69.06721	4.8
69.07067	56.7
70.07401	4.6
70.07819	2.8
70.38179	10.1
70.38533	3.5
70.91924	2.5
71.04990	7.6
71.08633	26.5
71.28854	3.1
79.05492	47.8
81.03420	21.5
81.07059	89.3
83.04988	17.9
83.08627	23.1
85.06499	7.7
85.10162	7.0
91.05488	32.3
93.07043	52.7
95.04964	24.6
95.08609	49.7
97.06522	8.9
97.10148	17.5
99.08092	17.6
105.07027	27.7
107.08601	32.1
109.06546	5.6
109.10163	25.1
111.08070	20.5
113.09644	7.4
115.07557	7.6
117.07027	6.5
119.08596	14.9
121.10133	24.8
123.08080	6.4
123.11689	8.9
125.09627	9.4
129.06993	5.8
131.08566	5.9
133.10110	17.3
135.11679	19.0
137.09584	6.3
137.13260	5.6
139.11191	7.1
145.10107	5.6
147.11665	17.3
149.13281	13.1
149.14436	3.6
151.11218	17.0
153.09081	3.0
159.11676	4.6
161.09558	3.7
161.13239	10.0
163.11215	7.4
163.14775	4.9
165.12756	20.1
166.01643	2.8
171.11719	5.1
175.11086	3.9
175.14851	6.4
177.12794	3.2
179.08640	3.9
179.14316	11.3
185.13301	4.5
189.11243	6.0
191.08598	5.4
198.07631	8.1
199.06987	10.2
207.13803	2.9
218.07236	3.1
219.08014	8.7
221.15404	6.0
231.21091	6.2
233.09654	5.1
234.10349	20.3
235.07581	20.8
237.29474	3.0
241.19418	5.4
249.21965	3.8
250.09872	36.2
259.20541	11.0
265.09607	4.9
265.12256	74.7
277.21609	71.8
295.19611	5.8
295.22681	49.2
296.09668	4.0
296.12732	10.0
296.16479	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	295.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.5
55.01871	2.2
55.05511	7.8
56.96560	1.1
57.03440	6.8
57.07068	2.1
65.03931	1.7
67.05505	22.0
69.03415	1.0
69.07072	9.4
70.06601	1.7
70.07403	1.5
71.04990	1.4
72.08154	2.1
79.05495	30.1
80.05864	0.8
81.03417	2.7
81.07060	17.6
83.04993	3.7
83.08615	2.7
84.08144	1.7
85.06530	1.8
86.09685	0.8
91.05482	22.4
91.88915	0.6
93.07043	20.6
95.04973	10.5
95.08609	13.1
97.06512	2.5
97.10165	1.8
98.97575	0.8
99.08149	0.7
103.05466	2.9
105.04499	1.4
105.07034	14.0
107.04958	100.0
107.08592	9.1
108.05288	2.5
109.06513	2.0
109.10161	2.5
111.08086	1.6
115.05483	1.7
115.07571	1.5
116.98602	0.8
117.07020	8.3
119.04903	0.8
119.08583	19.3
120.08116	1.2
121.02875	1.3
121.06514	1.8
121.10146	4.7
123.04414	0.9
123.08060	3.5
125.09660	0.7
128.06236	1.3
129.05467	0.6
129.06987	4.8
131.04926	6.0
131.08609	4.1
133.06531	1.9
133.10143	5.7
135.08049	3.0
135.11696	0.8
137.05951	0.8
137.09641	1.6
143.08566	5.4
145.06454	2.8
145.10153	1.4
147.04359	0.8
147.08031	1.1
147.11711	2.5
151.07579	1.2
157.06497	2.2
157.10138	2.1
158.07318	1.2
159.11678	3.3
161.09662	0.8
161.13274	9.1
163.07578	3.4
165.06949	1.0
173.05971	0.9
175.11206	1.7
175.14836	7.2
178.07758	1.7
179.08632	1.4
181.06680	0.9
183.04492	0.9
185.13252	12.4
189.06985	1.0
190.07822	1.1
191.08624	2.4
193.10086	1.1
195.08093	1.0
198.07635	1.9
199.07021	1.8
201.05452	4.6
202.07854	2.2
203.08539	3.3
203.14330	10.9
204.09224	0.7
205.06578	1.0
205.10255	1.1
206.07239	1.7
207.08096	3.9
208.08775	0.7
215.08586	1.2
218.07275	2.7
219.08044	4.8
220.08742	1.0
221.09586	3.0
221.15398	5.4
223.07617	5.4
225.02316	0.7
231.08002	9.4
232.08609	1.2
233.09602	3.4
234.06772	1.5
234.10387	5.4
235.07556	9.8
236.08310	5.0
237.09019	0.6
240.70280	0.6
247.07707	0.7
248.08354	1.2
249.09088	11.7
250.09900	9.8
251.10683	3.5
260.08356	1.0
265.12238	17.9
277.08606	11.5
277.18256	1.1
295.09634	7.7
295.18991	10.0
296.12872	2.2
296.16501	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	295.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.9
55.01871	36.1
55.05506	40.3
56.96557	11.4
57.03433	32.7
57.07067	8.6
65.03943	3.2
67.05504	82.5
69.07069	42.9
70.07397	3.6
70.83725	4.1
70.84061	6.8
71.04983	31.6
71.08626	4.6
79.05058	6.1
79.05490	73.8
80.05827	6.0
81.03419	6.5
81.07050	88.2
83.04988	28.3
83.08614	23.6
84.88846	4.2
85.02898	14.7
85.06570	5.0
91.05477	77.8
92.05815	7.7
93.07040	82.9
95.04365	7.2
95.04962	98.8
95.08070	2.6
95.08604	66.3
97.06525	41.8
97.10175	6.2
99.08099	6.2
101.86793	3.5
105.07033	72.3
106.07372	4.7
107.04953	47.3
107.08587	49.6
108.08929	12.3
109.06518	13.2
109.09425	5.4
109.10139	28.0
111.04441	16.1
111.08074	31.1
113.09634	10.9
115.18256	3.3
117.07016	19.6
119.08567	39.6
120.27567	3.7
121.06531	11.7
121.10147	18.9
123.08057	12.1
128.06216	5.2
129.07047	16.9
131.08566	10.7
133.06485	29.7
133.10138	32.1
134.10518	3.9
135.08081	5.7
135.11687	12.7
137.09631	10.9
143.08577	16.6
145.10098	17.2
147.11720	11.4
149.09596	6.5
151.11205	7.8
157.10117	6.9
159.11713	14.2
161.09576	3.3
161.13301	27.4
163.11179	21.5
165.12738	12.7
175.11226	5.9
175.14857	11.4
177.12791	9.4
179.08498	5.6
179.14304	79.9
185.13266	24.7
195.14046	3.4
199.06947	4.8
202.08638	10.3
203.08609	4.5
203.14340	20.6
207.08026	6.1
218.07242	3.2
219.08066	10.6
221.09666	5.3
221.15366	63.7
221.17818	6.8
224.10002	3.2
233.09491	4.1
234.10414	26.8
235.07500	35.5
236.08421	7.3
250.09917	48.1
253.98991	3.5
255.12665	13.1
259.19815	6.5
265.12234	100.0
273.13724	34.4
277.21356	33.9
284.48022	3.5
291.14816	30.8
295.10217	4.1
295.15591	5.6
295.19040	23.7
295.22592	16.9
296.13284	16.3
296.16028	17.4
314.16656	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	295.1289
Annotation	Phenylalanylglutamate
Peak:m/z	Relative Intensity
50.38735	0.4
50.54028	0.3
56.04778	0.3
56.05032	1.8
56.42369	0.3
57.07073	0.4
60.04537	0.5
65.12946	0.4
69.07081	1.0
70.06584	0.9
71.04934	0.4
71.05269	0.8
74.16782	0.3
77.03960	0.4
79.05476	1.3
84.04502	33.5
84.08130	0.7
85.02886	0.6
85.04812	0.5
91.05462	1.0
93.07040	1.1
94.04011	0.4
102.05561	0.5
102.38332	0.3
103.05470	7.6
107.04946	3.6
107.05564	0.6
117.06958	0.4
120.08102	100.0
121.08462	1.7
129.10312	0.5
130.04993	5.1
130.06519	0.7
131.04924	3.7
148.07651	0.4
149.05991	3.6
150.07750	9.2
166.08635	33.8
167.09000	0.5
186.09131	7.4
232.09698	4.1
234.10365	0.5
235.07509	0.8
238.90591	0.4
242.92737	0.4
250.09993	1.1
265.12268	2.0
269.73611	0.4
277.11905	0.5
278.10202	4.5
286.44946	0.3
295.12781	2.4
296.12857	0.5
296.16238	0.5
306.50699	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	12.1
55.05513	40.0
57.03423	27.5
57.07076	6.8
59.20258	5.8
67.05507	83.0
69.07072	40.1
70.02451	22.3
70.02853	10.7
70.07386	7.0
71.04987	26.1
71.08623	8.4
79.05500	77.6
80.36295	5.5
81.07053	90.3
83.04962	16.7
83.08617	17.7
85.02892	13.7
85.21045	5.4
91.05491	82.9
91.06037	11.6
93.07036	84.5
95.04961	99.5
95.08587	55.5
97.06541	41.7
97.10184	10.5
98.10464	6.0
105.07024	73.3
107.04952	60.8
107.08588	45.3
109.06506	16.7
109.10165	26.5
111.04414	17.4
111.08044	11.9
117.07008	26.9
119.08569	71.0
121.06520	14.1
121.10152	18.6
123.08138	8.6
125.09576	7.6
129.06999	13.2
131.08556	15.1
133.06494	28.5
133.10184	27.4
135.11693	9.8
143.08559	23.0
145.10135	19.2
157.10110	6.9
159.11676	16.4
161.13249	37.6
163.11201	20.0
175.14838	11.2
177.12811	11.6
179.14328	91.9
184.07388	8.8
185.13223	32.1
198.07567	6.6
203.14281	27.8
207.08134	6.3
219.08006	10.9
221.15343	69.1
234.10382	30.2
235.07536	31.6
236.08055	7.4
249.09219	6.9
250.09984	40.8
265.12228	100.0
273.07639	6.6
277.20966	22.7
295.19012	31.3
295.22098	10.6
296.12994	7.8
296.16464	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	295.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84943	0.4
55.05501	0.4
56.05029	3.3
57.03422	0.5
57.07066	0.8
60.04512	1.3
69.07056	2.7
70.06587	3.4
70.07406	0.6
70.82935	0.9
70.83282	0.5
72.08140	1.0
72.93798	0.4
74.06085	5.2
80.03372	0.8
84.04506	1.3
84.08127	3.3
85.02894	0.9
86.09719	3.3
91.05475	1.6
94.04021	0.5
102.05548	1.5
103.03965	0.9
104.03345	0.8
105.07059	0.5
107.04977	1.4
110.07179	1.0
110.97620	0.4
115.07543	0.6
115.15218	0.5
116.07102	5.4
116.07861	0.8
119.03555	4.7
119.04935	0.9
120.08109	3.6
126.05457	0.6
129.10252	1.1
131.04941	0.7
132.95818	2.3
134.08124	19.0
134.99675	0.5
136.06183	100.0
136.07442	3.0
137.04590	4.7
137.06618	0.9
150.07747	1.9
150.96881	2.0
151.07071	0.9
162.04108	47.3
174.09149	0.5
174.96913	2.4
184.07404	0.8
186.96896	1.3
192.97939	1.3
198.07608	1.3
199.07002	0.6
204.98050	0.5
216.98036	0.5
219.08072	0.7
231.11369	1.2
233.09489	0.5
234.10429	1.7
234.98985	1.6
235.07529	1.7
250.09901	3.0
265.12259	5.5
295.11548	3.9
295.16406	0.7
296.12756	1.4
296.16403	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84943	0.4
55.05501	0.4
56.05029	3.3
57.03422	0.5
57.07066	0.8
60.04512	1.3
69.07056	2.7
70.06587	3.4
70.07406	0.6
70.82935	0.9
70.83282	0.5
72.08140	1.0
72.93798	0.4
74.06085	5.2
80.03372	0.8
84.04506	1.3
84.08127	3.3
85.02894	0.9
86.09719	3.3
91.05475	1.6
94.04021	0.5
102.05548	1.5
103.03965	0.9
104.03345	0.8
105.07059	0.5
107.04977	1.4
110.07179	1.0
110.97620	0.4
115.07543	0.6
115.15218	0.5
116.07102	5.4
116.07861	0.8
119.03555	4.7
119.04935	0.9
120.08109	3.6
126.05457	0.6
129.10252	1.1
131.04941	0.7
132.95818	2.3
134.08124	19.0
134.99675	0.5
136.06183	100.0
136.07442	3.0
137.04590	4.7
137.06618	0.9
150.07747	1.9
150.96881	2.0
151.07071	0.9
162.04108	47.3
174.09149	0.5
174.96913	2.4
184.07404	0.8
186.96896	1.3
192.97939	1.3
198.07608	1.3
199.07002	0.6
204.98050	0.5
216.98036	0.5
219.08072	0.7
231.11369	1.2
233.09489	0.5
234.10429	1.7
234.98985	1.6
235.07529	1.7
250.09901	3.0
265.12259	5.5
295.11548	3.9
295.16406	0.7
296.12756	1.4
296.16403	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1024
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03935	2.8
55.01876	16.2
55.05516	7.9
55.45208	1.2
56.37431	1.1
56.96559	2.4
57.03439	30.3
57.07063	4.5
58.26595	1.4
58.99579	2.3
59.04989	2.0
61.02933	17.6
66.90031	1.2
67.05508	9.5
68.05032	1.2
69.03432	43.4
69.06787	1.5
69.07076	16.1
69.83298	5.7
69.83709	2.4
70.06586	4.8
70.07400	3.9
71.01352	6.9
71.04984	2.0
72.08137	2.4
72.29014	1.3
73.02918	41.6
79.05503	10.2
81.03419	6.8
81.07066	10.5
81.08437	1.1
83.04969	2.6
83.08649	1.3
84.08138	4.2
85.01139	15.2
85.02907	100.0
85.06548	1.5
86.09683	3.9
87.04450	6.1
91.03939	3.2
91.05472	5.9
93.07056	7.3
95.04948	3.5
95.08591	8.1
97.02892	43.2
98.97596	1.5
98.98531	1.3
99.04447	3.4
102.03766	14.8
103.03938	4.7
103.05445	1.7
104.10714	2.4
105.07030	5.5
107.04987	6.3
107.08590	4.0
109.02856	8.4
109.06538	1.5
109.10167	2.3
110.07111	1.5
115.03935	23.9
115.05339	1.4
115.07565	2.1
117.07007	2.7
119.08588	4.3
120.08107	17.1
120.97890	2.1
121.10133	2.5
123.08102	2.5
124.99973	1.8
125.09621	2.8
127.03920	20.3
129.07022	3.1
131.04941	3.8
133.04007	2.5
133.04973	30.6
133.06441	1.6
134.99699	1.7
135.07951	1.3
135.80606	1.4
137.09567	1.8
145.04964	16.5
145.06111	1.9
145.06511	2.0
146.09648	2.6
163.06006	2.6
166.08638	5.4
169.05019	2.3
184.07416	2.4
192.10245	4.1
193.05026	1.6
197.07344	2.2
198.07628	4.6
203.08604	2.1
203.14270	1.6
206.06277	1.6
211.54100	1.4
231.08078	3.0
234.06778	1.5
234.10497	1.7
235.07523	4.0
249.08981	3.2
250.09894	4.3
265.12213	9.4
277.08588	4.2
277.11420	1.6
288.01645	1.7
295.10248	5.2
295.15176	2.8
295.18594	1.6
296.12781	2.3
296.16147	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0963
Annotation	Lanceolatin C
Peak:m/z	Relative Intensity
52.59371	2.0
52.93931	1.9
55.01868	7.9
55.05503	5.5
56.10559	2.0
56.96555	4.2
57.03426	4.5
57.07070	4.0
67.05498	9.8
69.03397	1.8
69.07076	12.2
69.38923	8.9
69.39347	7.8
70.07394	3.0
73.02889	2.1
79.05501	12.4
81.07048	8.1
83.04967	2.5
83.08578	2.4
84.08128	2.7
85.01130	12.1
85.02918	4.0
86.09695	5.1
91.05483	17.8
93.07046	7.9
95.04975	16.0
95.08610	6.5
97.02928	2.8
102.03787	11.7
103.05465	14.1
104.10740	3.0
105.07023	6.2
107.04955	100.0
107.08630	3.1
109.10199	2.3
109.74361	2.0
111.04453	2.6
115.05446	7.7
115.07567	2.4
116.85309	1.8
117.07017	7.3
119.04950	19.5
119.08604	2.6
120.05732	4.4
120.08108	15.7
121.02891	4.7
121.10116	3.4
123.04424	7.2
123.08107	2.2
125.09583	2.0
127.05352	2.1
128.06226	9.2
129.06993	24.7
131.04938	32.5
131.08575	2.9
132.05692	22.1
133.06505	2.3
143.04904	3.6
144.05737	2.5
145.06502	8.1
147.04402	39.6
149.07504	3.9
153.06955	2.7
155.04823	3.4
157.06496	33.9
165.07005	7.5
166.08661	5.9
171.04434	6.7
173.06007	5.1
178.07799	21.8
179.08545	5.9
181.06453	4.2
183.04475	3.5
184.07353	2.9
189.06975	3.6
190.07735	7.4
191.08525	9.1
193.10222	11.5
194.07233	4.8
195.08005	3.1
198.07652	4.6
201.05525	6.7
202.07758	41.9
203.08563	35.1
204.09381	2.1
205.06458	5.8
205.10025	2.4
206.07323	12.9
207.08046	12.5
209.09612	2.8
215.08566	8.3
218.07213	11.0
219.08049	26.1
220.08873	5.9
221.09618	98.8
222.09959	2.6
223.07574	6.0
223.11411	2.1
231.08025	53.4
232.08862	4.2
233.09605	7.6
234.06787	10.8
234.10471	4.6
235.07533	17.6
236.08389	6.4
237.09140	3.7
247.07576	7.4
248.08250	4.1
249.09117	88.2
250.09734	7.0
251.10672	20.9
253.08546	4.6
259.07559	17.2
265.08548	10.3
265.12369	9.8
267.10040	4.2
277.08582	49.5
277.11615	2.7
295.09705	3.6
295.11993	1.8
295.15128	4.9
295.18958	2.7
296.12933	3.6
299.19913	2.4
313.13065	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	295.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20972	2.7
56.96559	6.7
62.62657	2.6
71.59724	6.8
74.02418	3.5
80.05035	5.0
81.07072	2.9
84.04510	6.7
84.08147	4.3
85.33382	2.9
86.09705	3.3
89.04774	4.6
93.05796	6.8
98.97584	3.7
105.07069	2.5
107.04971	6.8
108.04475	4.2
112.99895	3.2
116.31854	2.7
116.98644	3.9
118.05065	5.8
119.06068	52.7
119.06929	3.9
119.07302	4.4
120.04447	5.4
120.06819	8.2
120.08116	18.3
121.02824	4.9
124.45084	3.0
128.05020	4.5
130.06499	25.0
130.47842	2.8
131.05078	3.9
131.06053	13.0
132.04469	8.8
133.05292	7.0
133.06343	3.3
134.06033	4.1
134.86568	2.5
134.99643	3.2
135.05540	3.8
141.48380	2.8
146.06004	100.0
147.05539	15.0
147.06776	11.0
148.03987	5.3
148.06194	6.3
150.07726	15.2
150.96887	5.6
157.07619	13.9
158.05992	14.4
160.07597	4.0
162.05542	8.3
162.96976	3.7
166.08670	6.0
167.11963	2.9
170.21191	2.7
173.07108	9.5
174.07944	3.8
174.96880	4.6
175.08649	8.4
177.06577	5.9
186.07455	3.5
186.96863	3.0
188.08279	3.3
193.00198	4.9
203.08174	11.5
204.06732	5.2
204.08586	4.8
219.07637	4.7
220.08485	7.1
221.09048	3.3
237.02728	4.2
249.08731	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	294.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56790	0.6
53.03921	1.0
53.62086	0.7
55.01854	2.2
55.05511	1.5
56.05014	2.6
56.96559	5.3
57.03429	3.6
57.04873	0.8
58.06575	2.5
60.04524	1.6
61.02925	3.6
61.04034	3.6
67.05498	1.1
68.05010	2.6
69.03425	5.4
70.06587	6.3
71.01328	1.4
71.04980	1.5
71.59635	1.1
72.04501	1.4
72.08154	18.6
72.93817	0.8
73.02892	2.8
79.05480	1.0
80.05001	0.8
81.03407	4.1
81.07055	1.3
82.06559	1.1
83.04984	0.9
83.06120	0.7
84.04488	3.1
84.08138	21.2
85.02902	7.8
86.06060	0.9
86.09698	11.9
87.04456	1.0
88.03979	1.4
88.07593	0.8
94.06529	1.2
95.04939	1.4
96.04504	1.4
97.02886	8.4
98.06026	1.4
98.09662	2.7
98.97558	2.8
99.00793	1.3
99.04435	1.5
100.07621	6.3
102.05532	1.4
105.06985	1.0
107.04947	33.6
108.08089	0.9
110.07140	1.1
110.09707	1.4
112.11230	2.6
114.05486	1.7
114.09133	5.1
115.02180	0.9
115.03939	1.4
116.07087	1.0
116.10706	1.2
116.98603	2.9
117.01884	0.9
117.10237	2.0
120.08091	1.2
120.97897	0.9
123.04443	0.6
124.07574	1.1
125.02354	8.2
126.09163	0.9
127.03893	1.7
128.10693	0.9
128.98627	1.4
129.10254	1.9
130.08655	0.9
131.08139	1.6
131.99670	1.6
132.04745	2.5
132.06520	1.1
132.10181	2.7
132.13844	1.2
132.95853	1.2
133.04884	1.0
133.06459	2.6
134.99637	2.7
139.09782	1.1
140.10681	1.9
143.08177	1.2
144.10188	2.7
145.05000	0.9
146.05991	1.0
146.99637	1.7
150.00740	1.6
150.96925	0.9
154.94139	2.0
155.04588	0.9
156.04761	1.0
156.10146	1.1
160.06041	1.3
162.05486	1.2
162.07407	0.7
163.02663	0.8
165.00696	1.7
171.14911	5.8
172.95230	6.5
174.11266	2.5
174.96922	0.9
177.00665	1.7
178.07101	3.9
184.98883	1.8
186.11220	1.8
186.96857	0.7
188.06743	0.9
188.09166	2.3
188.17567	13.3
190.96312	4.3
191.98114	0.9
192.01776	1.2
193.00276	0.9
199.99112	0.8
200.12758	0.8
200.98383	4.2
202.99913	0.9
204.12193	1.0
213.03317	0.7
218.99393	3.7
223.14429	0.9
229.01476	9.6
230.13853	3.6
232.11781	12.6
234.98793	1.0
237.02795	1.4
247.02541	18.4
250.12839	100.0
251.12976	0.7
255.03825	1.3
258.13321	3.8
265.17700	0.7
271.02444	1.6
276.14404	13.1
289.03467	2.0
294.10431	1.1
294.15500	10.6
294.18723	1.4
294.21854	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	294.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	1.9
56.20458	0.9
56.33015	0.9
56.96554	3.4
69.66274	1.2
69.66602	6.8
70.06577	4.8
72.08149	4.3
72.93745	1.1
79.05473	1.5
83.08620	0.9
84.04496	7.3
84.08135	4.0
85.02892	1.1
86.09695	5.1
93.07047	1.8
95.04958	1.0
95.06075	1.5
97.02915	1.7
98.20832	1.9
98.97550	1.1
101.07130	34.9
102.05517	1.0
103.05453	3.5
107.04944	5.5
116.07146	1.0
116.98592	1.4
119.04936	1.6
120.08095	100.0
121.02863	0.9
121.06493	1.6
124.13578	0.9
129.06586	13.5
129.10240	1.6
130.05026	1.6
131.04927	3.8
136.07562	1.2
141.39177	0.8
147.04375	5.5
148.04741	3.1
149.06001	2.2
150.07703	4.6
154.26404	1.0
166.08626	53.0
167.08891	1.1
186.09210	1.1
186.94897	0.9
186.96715	1.0
193.00235	1.9
205.03502	3.8
207.66736	1.0
207.68825	1.0
237.12375	2.4
248.99332	1.1
294.18484	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.2
55.05500	0.3
55.34774	0.2
56.96579	0.2
57.03420	0.2
57.07076	1.0
58.06552	0.2
60.08153	0.4
67.05489	0.2
67.59917	0.2
68.74384	0.1
69.06728	0.3
69.07072	4.0
69.58597	1.3
70.06569	0.6
70.07850	0.3
70.45094	0.2
72.08141	0.4
77.36615	0.2
79.05489	0.5
81.07034	0.3
84.04490	0.3
84.08116	0.9
85.02904	0.2
86.09715	1.2
91.05494	0.2
95.04978	1.0
95.06078	0.3
96.86790	0.2
98.21457	0.4
98.98458	0.2
99.00002	0.2
102.04644	0.1
103.05467	0.9
104.10735	0.5
107.04957	16.0
108.05265	0.4
113.53171	0.2
115.07574	1.0
118.06530	0.2
120.08132	0.3
121.06503	0.2
123.04433	0.7
124.99989	0.4
126.99471	0.5
128.05011	0.2
129.01033	0.6
129.06996	0.7
129.10208	0.2
130.06528	100.0
131.04932	1.1
131.05959	0.2
131.06870	1.9
133.06488	0.2
136.06194	1.0
136.07562	0.2
141.01036	0.8
143.07304	0.7
144.08093	2.1
145.06505	0.2
146.06003	0.6
151.03917	0.5
154.06512	4.7
155.02611	0.5
155.07298	1.0
156.08069	0.8
158.06015	5.7
158.07330	0.3
158.48953	0.2
160.07581	0.2
170.06017	0.5
172.07591	0.9
182.06030	0.8
184.07370	1.1
188.07111	0.3
189.06973	0.3
191.07251	1.8
192.08130	0.5
197.07315	3.2
200.07085	3.5
204.08070	0.7
205.08812	1.0
206.09656	10.7
207.10054	0.5
216.08075	1.2
217.08836	1.1
218.09618	0.6
220.07559	2.5
230.09740	0.5
232.11203	0.2
233.08347	3.0
234.09140	26.1
235.09821	2.6
246.09247	0.5
248.10719	4.1
249.11436	0.3
252.10173	0.2
276.10516	0.2
279.12747	0.2
286.19199	0.2
294.11282	7.0
294.20447	0.2
295.11993	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.2
55.01870	0.3
57.07059	0.7
59.06108	0.2
61.51218	0.2
64.27522	0.2
69.07063	2.4
70.84082	0.4
70.84418	0.2
72.08151	0.2
77.03927	0.3
78.87308	0.2
79.05485	0.6
81.06480	0.2
82.97878	0.2
84.08141	0.2
86.09691	0.6
86.29610	0.2
87.49915	0.2
91.05498	0.3
95.04968	0.9
103.05464	1.1
104.10744	0.4
107.04950	15.9
108.05290	0.2
115.07580	0.6
123.04430	0.7
125.00034	0.3
126.99436	0.3
128.04977	0.4
129.01028	0.3
129.07004	0.6
130.06522	100.0
131.04933	1.0
131.06860	2.3
131.63646	0.2
134.13951	0.2
136.06172	1.0
137.05934	0.2
141.00996	0.5
143.07323	0.6
144.08087	2.3
146.06024	0.5
151.03902	0.5
154.06511	4.7
155.07245	0.7
156.08081	0.7
158.06012	5.8
170.06042	0.7
172.07590	0.8
182.06018	0.9
184.07347	0.9
188.07050	0.3
189.06972	0.3
191.07288	2.2
192.08083	0.6
197.07295	1.4
200.07066	3.9
204.06395	0.2
204.07928	0.8
205.08821	1.1
206.09642	12.2
207.10071	0.3
216.08055	1.5
217.08836	1.1
218.09587	0.8
219.10164	0.2
220.07549	2.3
230.09715	0.5
231.08011	0.2
232.11298	0.2
233.08340	2.6
234.09128	28.1
235.09792	2.9
246.09108	0.2
248.10724	4.6
249.11493	0.3
252.10181	0.5
279.12692	0.4
294.11285	7.9
294.14856	0.7
295.11658	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92689	0.1
53.03928	0.3
55.01864	0.2
55.05495	0.3
56.05021	0.2
56.96537	0.2
57.07074	1.6
60.08149	0.2
63.02367	0.1
64.02885	0.1
67.05486	0.5
68.05035	0.1
69.07066	4.8
70.06588	1.2
70.07831	0.3
71.58267	0.2
72.08141	0.3
77.03928	0.3
79.05484	0.5
79.17908	0.1
80.04999	0.2
81.03414	0.1
81.07047	0.2
82.06553	0.1
83.04890	0.1
84.04487	0.4
84.08141	0.9
85.02913	0.2
86.09695	1.2
87.55521	0.1
91.05459	0.3
93.07025	0.2
95.04964	1.2
95.06085	0.4
95.08607	0.1
97.02887	0.2
98.99964	0.2
103.05457	1.2
104.10744	0.7
105.07030	0.2
107.04946	16.4
107.08627	0.2
108.05303	0.1
110.07159	0.3
113.01540	0.2
115.05470	0.2
115.07552	1.0
117.05735	0.1
118.06541	0.2
120.08085	0.3
121.02854	0.1
121.06503	0.2
123.04413	0.7
124.99999	0.2
126.99467	0.4
128.04961	0.2
128.06253	0.2
129.01004	0.6
129.05719	0.1
129.06982	0.7
129.10242	0.4
130.06517	100.0
131.04930	1.1
131.05771	0.1
131.05962	0.2
131.06845	2.0
133.06450	0.2
136.06178	0.2
141.00984	1.0
142.06456	0.2
143.07297	0.6
144.08090	2.0
146.06017	0.5
151.03911	0.5
154.06503	4.5
155.02588	0.4
155.07268	0.8
156.08083	0.7
158.05997	5.6
159.06378	0.1
160.07512	0.1
170.05952	0.6
172.07567	0.8
182.05969	0.9
184.07324	0.9
189.07057	0.4
191.07259	2.2
192.08063	0.7
197.07272	3.7
200.07059	3.8
203.08626	0.2
204.08160	0.5
205.08855	1.3
206.09641	12.5
207.09932	0.6
216.08096	1.4
217.08835	1.4
218.09616	0.9
220.07574	2.8
220.11046	0.2
222.08907	0.2
225.06888	0.2
230.09630	0.6
231.08237	0.2
233.08319	2.7
234.09117	26.4
235.07336	0.1
235.09729	2.9
236.10555	0.2
246.09297	0.4
248.10695	4.1
249.11320	0.3
250.12363	0.2
252.10263	0.4
268.18018	0.1
276.10358	0.3
279.12585	0.4
294.11304	7.6
294.14667	0.4
294.20389	0.3
295.11865	0.3
300.93875	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	294.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	4.3
56.05030	2.6
57.06791	2.1
57.07074	34.8
67.05503	6.0
69.07070	100.0
70.06600	10.2
70.07848	9.8
70.23461	9.3
72.08160	3.6
72.71173	1.9
74.02448	4.1
78.99564	2.1
80.04996	2.9
81.07072	4.2
84.04512	7.5
84.08144	15.1
85.02908	2.5
86.09670	3.5
91.05494	4.2
93.05775	2.6
94.04201	2.0
95.08595	3.7
99.00014	4.4
103.05486	2.6
106.06523	3.0
110.07182	2.9
113.01571	2.2
115.07576	20.4
118.06538	5.1
119.06064	12.7
120.08112	18.8
126.99474	11.3
127.12315	2.0
129.01027	17.5
129.10263	3.0
130.05037	2.3
130.06514	15.5
131.06059	3.7
131.99638	2.6
132.04408	3.2
132.08116	3.0
132.95842	4.9
133.05174	2.0
133.07616	4.4
134.06020	5.9
135.05566	2.8
136.07587	2.6
139.90721	2.0
141.01025	19.7
145.05238	3.0
145.07590	5.7
146.06018	38.4
147.04494	2.1
147.05528	6.6
147.06644	3.4
147.09163	3.6
148.06351	2.6
148.07539	3.5
149.07101	3.7
150.05487	2.9
150.96909	5.6
155.02586	8.5
156.06865	2.1
157.07629	12.8
158.05998	9.3
159.09195	3.4
160.06366	2.6
160.07607	4.9
161.07150	10.7
162.05522	13.7
162.96899	5.2
163.05043	3.3
163.08751	2.2
165.06647	2.6
166.08650	2.3
169.07631	5.9
170.06009	2.7
171.05620	3.6
173.07123	5.9
174.05571	6.0
174.07863	2.9
174.96925	4.0
175.08672	12.7
176.07092	4.0
177.06602	4.4
178.05011	2.9
179.08176	2.0
184.08655	3.8
185.07080	21.5
186.05502	5.8
186.07903	3.2
186.10275	2.8
186.96889	6.9
187.05063	5.8
187.08638	12.1
188.07089	2.3
189.06609	8.2
190.07384	3.7
191.08156	2.4
192.97852	3.0
194.06917	3.0
197.07294	76.8
202.09779	4.1
203.08160	22.3
204.97968	3.3
205.03517	2.7
205.06183	4.5
206.04440	2.9
207.07558	2.0
208.06549	1.8
212.08139	5.9
213.06660	8.8
214.04927	2.0
214.09770	2.6
215.08284	2.0
217.06027	2.8
219.07729	4.4
220.08371	2.7
221.09251	3.1
225.06831	5.9
230.09290	14.4
231.07649	8.7
234.08807	2.5
234.99120	2.6
235.07286	4.0
236.07999	2.9
237.08728	2.9
248.10349	28.3
249.08664	4.8
253.00014	2.7
259.07101	3.3
260.10239	3.4
276.09775	14.0
277.08279	3.9
279.12515	5.3
294.10666	47.5
294.14697	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	294.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76476	2.9
51.16870	2.6
55.05507	4.2
57.07071	29.5
67.05499	5.1
69.07069	100.0
70.06593	13.2
70.07853	6.5
71.57761	3.8
72.08154	6.0
72.93803	3.8
74.02454	4.4
74.06120	2.9
79.05487	4.3
80.05020	3.7
83.06103	3.5
84.04506	7.9
84.08140	13.1
86.09716	4.3
90.94832	2.6
91.05484	4.9
95.08598	5.2
96.08971	2.6
97.57338	2.5
98.99989	4.4
103.05429	3.8
106.06515	5.1
115.07581	25.4
117.05801	3.8
118.06562	10.3
119.06069	18.3
120.04436	3.7
120.08117	17.6
121.07592	4.2
126.99489	11.6
129.01042	12.7
129.10260	3.8
130.06511	20.9
131.06038	5.5
131.99664	4.4
132.04472	3.5
132.08113	4.9
132.95819	5.5
133.07631	6.7
134.06021	11.7
138.45993	3.0
139.15788	3.0
141.01031	18.1
142.06534	4.2
144.95821	3.7
145.05273	5.1
145.07605	6.3
146.06004	42.3
147.05548	11.5
147.06715	5.8
148.03917	4.1
149.07085	5.2
155.02625	7.6
157.07588	15.8
158.06036	12.2
159.05580	3.5
159.09193	6.8
160.07591	8.3
161.05965	4.1
161.07094	14.7
162.05522	15.0
162.96893	3.4
163.05035	5.8
169.07570	4.9
170.05983	5.8
171.05515	6.1
173.07137	10.2
174.05547	5.2
175.08704	14.2
176.07082	7.0
176.40108	2.8
177.06624	4.7
184.08713	6.3
185.07143	37.9
186.96974	5.1
187.05063	6.5
187.08693	12.7
189.06665	12.6
190.07323	3.9
191.08224	6.5
193.06100	4.6
197.07281	78.5
202.07521	5.3
202.09694	6.5
203.08176	32.0
204.06552	4.5
205.06081	7.3
206.09343	4.0
212.08150	4.8
213.06618	15.0
215.08200	5.3
217.06084	3.8
219.07758	6.1
221.09200	9.7
225.06776	4.3
230.09279	19.6
231.07680	11.8
231.09778	4.0
234.08820	6.7
234.99127	4.2
235.07237	6.4
248.10304	41.3
249.08662	7.9
258.08774	4.5
259.07117	5.3
260.10220	4.9
261.11142	4.5
264.10263	3.2
276.09766	24.8
277.08173	10.0
279.12570	6.6
294.10666	62.9
294.14816	14.9
296.83429	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	293.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	19.9
66.97923	17.0
67.05492	100.0
71.59445	33.6
81.07044	87.7
82.34811	17.8
95.08591	70.2
109.10143	28.8
123.11711	27.8
226.57295	21.1
249.56438	21.2
253.36127	21.1
293.24680	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77656	2.1
50.85398	2.1
55.05498	9.1
57.07072	4.4
65.76019	2.2
67.05499	86.1
69.07061	17.7
69.95018	6.8
69.95419	3.7
79.05493	14.8
81.06586	5.1
81.07052	100.0
83.08608	5.5
85.06539	2.5
91.05446	4.1
93.07029	13.3
95.08604	69.8
105.07023	4.9
105.56145	2.2
107.08578	13.2
109.10153	37.5
119.08617	3.2
121.10111	5.3
123.08026	2.2
123.11700	22.3
131.08530	4.1
133.10152	3.3
135.11682	4.2
137.13266	10.9
147.11638	2.7
149.13245	3.8
159.35150	2.3
161.13257	2.9
163.14862	2.8
173.13205	3.8
187.14745	2.2
190.13516	2.0
197.07306	7.0
225.33879	2.4
243.21234	2.4
249.07407	5.2
250.08173	4.6
261.22153	5.0
278.07892	6.4
293.09979	16.8
293.24698	14.6
294.11099	4.7
294.14664	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	293.2474
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
52.62482	3.7
55.05516	11.6
60.56032	3.6
65.03928	5.6
67.05508	98.9
69.07065	11.2
69.56747	30.1
79.05495	15.3
79.18462	3.9
81.07060	100.0
81.59449	3.9
83.08619	4.3
93.07053	15.6
95.08610	80.1
107.08594	12.0
109.10161	47.8
114.84680	4.5
121.10164	10.9
123.11729	26.8
125.03531	3.9
133.10110	7.8
135.11699	6.3
137.13246	13.0
139.70102	4.2
145.10149	5.2
147.11945	4.6
159.11687	6.0
173.13387	5.3
180.10548	4.7
181.90005	4.3
197.21196	5.4
208.51341	4.1
243.21031	4.8
261.22107	10.1
293.10114	6.5
293.24796	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45757	2.3
52.38934	2.8
55.05511	13.1
57.07060	9.3
58.85692	2.6
63.50288	2.4
67.05502	87.0
69.07066	30.7
70.83534	4.6
79.05496	16.4
81.07057	100.0
83.04987	3.5
83.08615	9.0
91.05465	11.5
93.07040	23.0
95.04973	7.8
95.08605	78.9
97.06514	4.4
105.07014	7.1
107.08585	14.2
109.06496	3.1
109.10160	27.8
115.07519	4.7
117.07019	3.0
119.08559	8.0
121.10131	12.4
123.08058	4.7
123.11701	13.3
129.00955	2.9
131.08560	8.3
135.11659	6.9
137.09598	3.9
137.13246	6.0
141.01003	7.4
145.10081	7.5
147.11652	6.1
149.09576	2.9
149.13261	4.7
151.11171	5.9
151.14818	4.6
159.11682	6.6
161.13210	3.5
163.11166	5.1
163.14815	3.3
173.13231	6.6
177.12717	7.2
177.16296	2.9
191.14296	3.5
197.07323	13.9
205.15987	3.2
217.22191	2.7
243.21227	3.7
249.07283	3.8
261.22076	6.6
275.20013	8.6
278.07724	3.1
283.77621	2.9
293.10049	6.4
293.21069	8.2
293.24710	11.8
294.14987	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	293.2474
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03952	1.6
55.05502	11.9
57.07058	2.3
65.03927	2.1
67.05507	92.2
69.07066	11.8
70.01791	7.4
79.05482	14.3
81.07058	100.0
83.08607	3.8
85.06527	2.7
91.05470	6.2
93.07048	12.6
94.08053	1.9
95.08608	75.7
97.10188	3.9
99.08142	1.7
105.07044	4.3
107.08582	10.7
109.04896	1.6
109.10158	26.1
115.07587	1.7
117.07042	2.0
119.08569	3.7
121.10126	9.6
123.02126	1.7
123.11713	15.1
131.08577	6.8
133.10100	2.8
135.11725	4.4
137.13248	7.1
140.68007	1.7
141.08522	1.7
145.10135	3.9
147.11705	3.2
149.09586	3.6
149.13243	3.9
151.14818	5.1
159.11710	4.5
161.13252	2.7
163.11171	3.0
163.14893	2.5
165.12741	1.7
173.13278	6.8
221.96492	1.4
235.04443	1.6
243.21150	5.1
261.22183	6.5
293.24655	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	293.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.1
55.01849	1.9
55.05503	3.9
56.96563	1.2
57.03410	1.8
57.07057	0.7
57.61848	0.5
59.05001	0.5
67.05496	6.6
69.03396	1.2
69.07064	2.8
70.06582	10.0
71.04974	1.4
71.60123	0.6
72.08149	8.1
79.05482	5.2
80.04981	0.7
81.03396	2.2
81.07055	6.8
82.06570	0.9
83.04964	1.2
83.08598	1.9
84.08133	0.9
85.02882	0.8
86.09676	1.0
87.04458	1.3
89.03913	0.5
91.05465	5.4
93.07039	5.0
94.06569	8.4
95.04958	4.4
95.08598	5.4
97.06516	1.7
97.10137	1.0
98.97571	1.3
99.08038	0.7
101.49229	0.4
105.07014	4.1
106.06541	1.0
107.04942	7.7
107.08591	4.8
108.08089	0.9
109.06501	2.1
109.10143	1.9
111.08088	0.7
116.98575	1.0
117.07017	1.2
118.06508	0.8
119.07275	0.6
119.08561	3.4
120.08117	3.0
120.08804	0.6
121.06513	1.1
121.10098	2.3
122.09666	4.2
123.08064	2.6
125.01519	2.2
125.09668	0.9
126.01868	1.8
127.01213	2.3
131.08545	2.2
132.08084	3.0
133.06494	0.5
133.08853	4.2
133.10086	2.3
134.05974	0.5
134.09637	15.0
134.99660	0.5
135.07953	0.7
135.11713	0.7
137.09604	3.9
141.06885	0.6
143.08548	0.9
144.08057	0.8
145.10098	1.7
146.05983	1.5
146.09625	4.1
147.04364	0.6
147.10402	5.7
147.11661	1.7
148.11185	14.1
149.09572	1.6
149.13266	0.7
151.11169	1.9
159.11684	1.1
160.11194	1.0
161.12050	0.6
161.13251	0.8
163.03931	0.7
163.11182	1.0
165.12724	1.6
173.09732	0.5
174.03143	0.6
174.12744	0.6
176.14316	0.7
177.00728	0.8
188.07042	2.3
199.07607	0.8
206.15352	2.1
222.14833	1.7
223.13190	0.6
224.16501	2.3
226.06784	1.4
230.18958	1.0
232.17009	1.4
235.07277	0.7
247.20503	0.6
250.17932	4.4
251.16360	0.6
257.18954	0.7
258.18533	3.3
265.06952	0.9
275.09735	0.6
275.20044	4.3
276.19556	100.0
277.19934	2.4
293.06439	1.8
293.12100	4.0
293.21771	11.5
293.27942	0.5
294.11743	2.7
294.20673	3.3
294.23474	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03933	15.5
55.01865	10.4
55.05503	24.6
57.03431	20.9
57.07073	5.1
66.00350	3.6
67.05507	43.9
69.07066	46.7
69.81664	25.3
71.05016	4.6
77.19856	4.7
79.05489	59.2
80.47094	4.0
81.03427	28.4
81.07050	53.6
83.04990	9.8
83.08618	10.1
85.06551	8.1
91.05481	49.2
93.07034	57.7
95.04969	11.7
95.08615	37.4
97.06519	11.0
97.10175	7.6
99.08092	4.2
105.07038	51.0
107.04965	14.0
107.08593	50.7
109.06528	26.2
109.10152	12.6
111.08086	10.9
117.07034	11.3
119.08573	34.3
121.06533	4.9
121.10182	21.8
123.08075	13.6
125.09686	7.8
131.08582	24.5
133.10149	37.6
135.08063	9.3
135.11682	9.7
137.09615	8.3
139.30367	4.9
143.08554	6.8
145.10092	21.8
147.11678	21.0
149.09651	18.2
151.11127	4.8
152.72929	4.3
159.11720	29.7
161.13268	13.0
163.11179	6.3
173.13275	9.3
177.12781	7.3
179.14342	6.0
185.13297	14.1
189.11176	5.5
201.16476	4.3
203.14351	16.1
205.12155	4.8
219.17395	40.1
221.15373	12.6
239.17940	10.1
257.18982	15.9
275.20050	100.0
293.21109	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.15002	4.2
53.03949	10.1
55.01862	13.0
55.05511	35.5
57.03432	15.2
57.07064	20.5
67.05509	74.6
69.07069	51.3
70.11115	7.1
70.11512	11.2
71.04996	8.8
79.05494	59.9
81.03411	19.6
81.07056	85.2
83.04970	13.1
83.08626	25.6
85.06532	19.3
91.05482	58.1
93.07038	64.1
95.04962	39.9
95.08615	53.5
97.06529	15.1
97.10144	4.8
105.07021	57.8
107.04945	9.8
107.08588	40.3
109.06529	19.4
109.10167	24.9
111.04453	13.9
111.08061	9.0
115.07523	4.7
117.07023	16.8
119.08587	36.7
121.06496	15.9
121.10134	27.7
123.08064	14.3
123.11664	7.8
125.09596	7.7
131.08583	23.0
133.10143	44.7
135.11676	16.0
137.09624	48.3
143.08507	5.7
145.10123	24.7
147.11717	28.4
149.09613	23.2
149.13245	7.1
151.11203	16.8
157.10138	7.4
159.11703	19.0
161.09665	4.9
161.13237	9.4
163.11194	15.6
165.12723	5.1
173.13231	10.5
177.12796	5.0
185.13280	11.4
195.12146	5.1
197.07254	22.9
200.27725	4.6
203.14265	6.8
209.11900	5.3
219.17433	32.9
247.20612	14.9
257.19000	16.1
275.20065	100.0
278.07883	4.8
293.10007	4.8
293.21106	86.6
293.29269	4.8
294.14728	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03947	9.5
55.01874	8.0
55.05518	36.2
57.03435	13.1
57.07077	9.8
67.05509	58.0
67.08965	4.1
69.03419	13.6
69.07077	49.8
69.48003	3.9
69.48311	34.0
71.04990	9.6
79.05506	49.3
81.03424	12.6
81.07061	100.0
83.04996	4.9
83.08642	23.8
91.05490	34.3
93.07059	34.1
95.04976	16.0
95.08625	34.1
95.73182	3.5
97.06538	10.8
97.10168	12.2
105.07047	39.4
107.04958	9.1
107.08612	32.5
109.06515	39.0
109.10138	18.2
111.08093	7.4
115.07581	4.1
117.07017	8.5
119.08608	28.2
121.06537	4.4
121.10150	17.0
123.08065	23.9
125.09631	10.1
131.08551	23.0
131.22810	3.5
133.10162	20.2
135.08058	9.2
135.11693	7.3
137.09637	7.1
141.01035	5.9
145.10141	16.2
147.11659	18.8
149.09637	11.6
149.13225	6.3
157.10222	7.1
159.11676	13.6
161.09598	5.9
161.13280	4.4
163.11203	11.2
165.12817	9.7
173.13289	7.6
175.11208	7.5
197.07323	7.6
219.17407	8.5
224.13245	4.5
239.17998	5.1
247.20613	6.7
275.20139	63.9
293.21106	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.212
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.01600	0.2
52.14788	0.1
53.00296	0.4
53.03938	0.4
55.01836	0.1
55.05505	2.3
55.05776	0.1
57.07068	31.8
59.04979	0.1
65.03941	0.2
67.05504	1.7
67.61097	0.1
69.07058	100.0
69.63991	0.1
70.04086	0.3
70.07839	6.6
71.04994	0.2
72.98448	0.1
75.00018	0.2
75.02365	0.2
77.03928	0.1
83.04842	0.5
85.06535	0.5
87.00024	0.6
87.08099	0.4
91.05457	0.6
93.03396	0.4
93.07065	0.1
94.04178	0.5
95.04955	1.1
97.06528	0.3
98.99995	4.0
103.03130	0.9
105.03365	0.3
105.04495	0.2
105.07011	0.1
107.04973	0.3
109.06530	0.2
110.03522	0.3
110.99319	0.1
111.00037	0.4
111.04434	0.7
113.00894	0.1
113.01547	4.2
115.07552	34.1
115.25385	0.1
119.04946	0.2
119.08588	0.2
120.05695	0.3
121.03950	0.1
121.06508	0.1
125.01553	0.2
126.99452	10.7
127.03105	0.7
128.00258	0.2
129.01016	16.4
133.10158	0.2
137.01480	0.1
139.00568	1.5
139.41534	0.1
141.01001	24.6
147.08095	0.3
155.02562	8.7
161.09647	0.9
167.10522	0.8
168.02179	0.2
169.00467	0.5
175.07640	0.2
179.06334	0.1
190.09750	0.6
197.07257	94.7
225.06741	6.6
243.07867	0.3
275.20093	0.1
294.09985	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	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
55.01863	9.5
55.05514	36.6
57.03422	9.4
57.15972	5.3
67.05499	41.8
68.50872	4.8
69.07060	17.4
70.33911	10.2
70.34301	12.2
71.08598	5.6
75.72680	4.4
76.76347	5.1
79.05497	68.1
81.07063	40.7
83.04983	7.2
83.08604	18.7
85.06528	5.3
91.05476	42.2
93.07031	45.6
95.04980	55.5
95.08604	34.7
97.06514	13.9
97.10170	13.6
105.07033	56.4
107.04953	7.2
107.08597	98.8
109.06506	19.6
109.10133	12.2
117.06986	11.2
119.08585	38.3
121.06523	5.0
121.10134	21.5
123.08124	8.1
125.09619	14.5
131.08591	23.9
133.10130	25.9
135.08049	7.7
135.11656	8.6
143.08574	8.7
145.10133	22.6
147.11688	18.7
149.09641	24.5
159.11693	15.9
161.13324	10.1
163.11159	13.5
165.12660	6.8
173.13309	6.3
185.13184	10.1
201.16365	8.2
203.14279	7.8
219.17455	28.0
221.15337	7.5
223.13274	18.4
239.18005	12.3
257.19031	14.1
259.28491	5.3
275.20068	100.0
293.21115	49.3
303.43735	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	293.2106
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.73523	2.0
53.03936	3.6
55.01847	7.5
55.05506	21.1
56.96550	6.0
57.03436	13.1
57.99907	1.8
64.95531	2.0
65.03919	2.5
67.05505	26.7
69.07066	20.0
70.04052	3.4
71.04983	2.0
71.44523	4.1
79.05483	48.7
80.42292	2.0
81.07053	27.1
83.04972	5.2
83.08616	16.7
85.06535	6.0
88.93907	1.8
89.07996	2.0
91.05471	41.2
93.07028	38.3
95.04943	9.9
95.08592	20.5
97.06506	7.4
97.10157	14.7
98.97590	4.8
104.87693	1.9
105.07019	50.2
106.07349	2.3
107.04895	4.0
107.08582	100.0
108.08927	2.2
109.06486	14.9
109.10133	7.5
111.08056	4.9
112.08493	2.5
113.01518	2.6
116.98581	3.8
117.06985	8.1
119.08563	28.0
121.06479	3.2
121.10126	12.8
123.08042	4.5
123.11634	2.6
125.09597	11.5
126.99422	2.6
129.06993	4.4
131.00143	4.6
131.08540	16.6
133.09253	2.8
133.10129	20.5
135.08018	3.7
135.11671	5.4
138.56870	2.2
141.00984	6.6
143.08560	3.8
145.10095	16.7
147.11697	14.2
149.01242	11.9
149.09587	13.6
151.07605	2.0
151.11183	2.6
152.07852	4.4
152.83672	2.0
153.08025	2.4
157.10100	5.4
159.11664	15.0
161.13246	9.2
163.11148	3.6
167.02289	3.4
173.13248	6.7
175.11246	3.2
176.25859	2.2
177.00627	3.2
181.12314	2.1
183.11696	5.0
185.13205	12.4
189.11153	9.9
201.16336	3.6
203.10086	2.3
203.14215	12.1
207.05684	5.6
208.14081	2.7
209.14653	2.7
212.10648	3.7
219.17433	16.0
220.02673	2.0
221.15305	12.8
229.19366	2.5
237.08801	3.2
239.17931	8.1
250.09581	4.1
257.18964	13.5
275.20038	93.2
276.08884	5.4
284.12808	3.1
293.13174	6.2
293.21027	11.5
294.09943	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	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
55.01876	7.3
55.05510	24.4
57.03435	10.4
58.50428	1.7
59.05005	2.0
65.03937	2.5
67.05502	29.1
69.07064	10.8
69.42532	11.3
69.42941	5.5
79.05491	48.0
81.03421	2.6
81.07056	23.8
83.05000	5.2
83.08621	16.1
85.06558	5.1
91.05480	43.4
93.07041	38.9
95.04983	9.3
95.08602	18.9
97.06531	7.5
97.10156	12.3
105.07028	49.3
107.04935	2.3
107.08591	100.0
109.06506	18.4
109.10139	6.7
111.08076	3.7
117.07017	8.1
119.08573	30.9
121.06477	3.9
121.10161	13.8
123.08066	3.1
125.09634	12.2
129.07033	4.6
131.08585	14.3
133.10103	22.5
133.10959	2.3
135.08026	3.1
135.11716	7.5
137.09601	2.4
143.08574	3.2
145.10114	16.0
147.11684	19.7
149.09599	16.6
149.13353	2.0
151.11188	2.3
157.10146	2.4
159.11673	17.4
161.13277	6.8
163.11208	8.0
171.11694	2.7
173.13251	4.5
175.14836	2.2
183.11711	2.9
185.13300	7.9
189.11200	7.8
197.13335	2.2
201.16339	3.7
203.14320	9.5
209.51247	1.8
219.17451	25.0
221.15373	9.5
239.18001	7.0
244.97057	2.1
257.18997	14.0
275.20062	88.5
293.20984	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	293.2109
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
52.38127	5.4
53.03952	29.2
55.01873	10.6
55.05503	24.2
57.03430	16.7
67.05502	61.0
69.07073	67.4
69.99602	32.0
69.99889	7.6
79.05492	68.9
81.03424	49.0
81.07059	100.0
83.04986	15.3
83.08601	11.7
85.06524	7.8
91.05485	47.2
93.07052	51.0
95.04958	26.4
95.08590	47.3
97.06544	8.9
105.07037	51.1
107.04948	19.2
107.08572	33.1
109.06522	29.0
109.10165	8.8
111.08134	5.4
117.07008	17.6
117.09294	6.1
119.08605	36.5
121.06542	6.7
121.10172	17.9
123.08122	7.2
125.09676	6.8
131.08591	25.0
133.10147	35.8
135.11720	17.2
141.98422	5.7
143.08495	6.6
145.10139	25.9
147.11681	19.1
149.09608	14.1
149.13269	8.8
159.11676	16.4
161.13229	9.0
163.11229	7.3
173.13350	7.8
175.20724	5.4
177.12823	9.4
179.14301	26.2
185.13217	14.9
187.11151	8.5
219.17494	38.7
221.15318	8.4
227.21767	6.1
256.95544	6.6
257.19012	10.2
275.20032	71.7
293.21121	70.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	2-[4-Methyl-2-(2-methylpropoxy)phenyl]-2-[(2-methylpropoxy)methyl]-oxirane
Peak:m/z	Relative Intensity
53.03930	0.5
55.01857	0.9
55.05511	3.2
57.07058	1.0
64.05846	0.3
65.03913	0.4
67.05186	0.3
67.05505	3.6
68.80976	0.3
69.07064	2.4
69.47829	2.6
69.48175	0.4
71.04992	0.4
71.08618	1.5
79.05151	0.3
79.05503	3.8
81.03400	0.9
81.07050	3.4
83.04973	0.7
83.08642	1.8
85.06516	0.5
85.71995	0.3
91.05482	2.4
91.19395	0.3
93.07046	2.3
93.38188	0.3
95.04970	6.2
95.08598	2.2
97.06538	0.4
97.10165	0.8
99.08096	0.4
105.07034	1.8
107.04952	4.2
107.08572	0.9
108.05737	2.3
109.06550	2.2
117.07004	0.7
119.08566	0.9
121.06502	8.3
121.10171	0.8
123.08071	0.6
125.09586	0.5
131.08559	1.1
133.10173	0.4
135.08031	1.0
145.10170	0.6
149.09598	0.8
151.11180	1.5
159.11736	0.6
163.11211	0.6
164.11955	2.1
165.12755	1.7
177.12706	1.7
181.04968	0.4
197.07280	0.5
201.12747	0.4
203.64624	0.3
209.11734	0.7
223.13379	0.7
237.11235	1.2
237.14841	1.0
252.25879	0.4
257.18875	0.3
275.20105	1.7
293.21106	100.0
294.21481	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	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.79168	2.1
53.03943	5.3
55.01875	13.7
55.05505	23.8
57.07069	4.7
65.03941	3.2
67.05505	43.5
69.07069	26.7
69.87672	15.3
69.87994	3.4
79.05493	40.5
81.03406	7.7
81.07053	69.6
83.04969	8.0
83.08620	17.2
91.05486	25.9
93.07043	28.7
95.04956	15.3
95.08606	30.2
97.06519	16.7
97.10162	8.7
98.20856	3.5
105.07027	40.4
105.07680	4.2
107.04955	11.0
107.08585	36.6
109.06519	20.2
109.10149	15.8
111.08067	3.8
117.07001	7.1
119.08582	23.6
121.06504	6.3
121.10130	17.7
123.08006	11.6
123.11736	3.8
125.09638	10.3
129.06982	3.4
131.08563	16.1
133.10129	23.9
135.08073	7.0
135.11687	10.4
137.09602	8.7
143.08557	4.1
145.10107	15.5
147.11681	18.7
149.09607	16.6
149.13283	4.6
151.11200	6.3
152.83836	2.4
156.19875	2.6
157.10077	5.3
159.11722	11.5
161.09705	3.4
161.13268	5.0
163.11182	13.1
165.09102	4.4
165.12738	6.1
171.11711	3.2
173.09602	5.2
173.13251	6.5
177.12779	3.4
190.60144	2.3
197.07300	2.9
197.13264	3.4
208.01543	3.0
226.25893	2.4
229.19484	4.9
239.17873	5.2
247.20589	10.6
257.19095	15.4
275.20041	100.0
293.21173	32.4
294.10284	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	293.2109
Annotation	12-OPDA
Peak:m/z	Relative Intensity
55.01863	5.7
55.05518	13.8
67.05504	32.8
69.03410	4.8
69.07070	34.4
69.41003	25.9
69.41331	4.5
79.05496	21.5
79.91868	2.4
81.07054	35.5
83.04999	6.5
83.08609	7.5
85.67544	2.6
91.05463	20.1
93.07048	27.5
95.04963	7.6
95.08617	23.4
97.06539	4.5
97.10136	5.1
98.21578	4.3
101.12639	3.1
105.07037	28.8
107.04957	6.0
107.08572	13.3
109.05859	2.9
109.06519	13.3
109.10157	12.0
112.24818	2.7
117.06999	6.3
119.08553	13.8
121.06500	12.8
121.10138	10.3
123.08041	4.9
123.31798	2.8
131.08546	12.9
133.10117	18.7
135.08064	4.6
135.11688	4.9
145.06531	3.0
145.10136	13.3
147.11667	12.1
149.09660	4.3
149.13226	3.0
151.11186	9.1
159.11671	8.6
161.09625	3.3
163.11179	6.1
171.11629	3.5
173.13274	7.0
187.11157	3.6
201.12704	4.3
207.13574	3.0
215.14249	3.0
219.13757	4.5
239.18059	3.5
257.19003	17.9
275.20074	100.0
276.20474	3.7
293.21106	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	293.2111
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
53.03938	2.4
55.01628	1.0
55.01873	15.3
55.05266	1.0
55.05512	14.5
56.36320	0.7
56.96556	1.4
57.03437	3.5
57.07080	5.8
59.04942	0.6
65.03941	1.8
67.05505	24.8
67.54259	0.6
69.03421	2.4
69.07069	22.0
69.24545	6.7
70.06590	2.4
70.07842	1.0
70.93976	0.7
71.04996	6.5
72.08160	1.9
73.77898	0.6
74.05212	0.7
74.88351	0.7
77.03917	1.2
79.05498	20.7
81.03413	3.0
81.07058	27.0
83.04993	3.8
83.08622	3.8
84.08131	2.4
85.06540	2.4
86.09701	16.6
91.05479	19.0
93.07041	16.1
95.04983	6.5
95.08605	20.0
95.09077	0.5
97.06538	4.9
97.10162	2.1
98.97581	2.0
98.98485	1.0
99.08080	1.9
101.06041	0.7
103.05469	1.9
105.07031	14.6
107.04958	19.5
107.08589	18.7
109.06509	4.7
109.10153	8.2
110.07145	1.1
111.08060	4.3
113.06093	0.8
115.05459	0.7
115.07554	2.3
116.98631	1.8
117.07050	4.1
118.06549	3.1
119.06094	1.1
119.08577	10.4
120.08110	16.9
121.06491	2.0
121.10151	5.7
123.08072	13.1
123.11712	3.9
125.09631	4.1
126.99442	1.2
127.07583	1.0
128.98878	0.7
129.01041	1.6
129.06953	0.8
129.10309	0.8
130.06496	4.4
131.04936	2.5
131.08554	4.7
133.06418	0.8
133.10152	7.3
134.99651	2.3
135.08076	3.1
135.11682	3.1
136.08446	0.7
137.09616	100.0
138.09949	0.8
141.01041	3.3
141.07076	0.8
143.08484	1.2
144.08037	0.8
145.06508	1.4
145.10138	2.7
146.06030	4.8
146.11855	0.9
147.11702	7.3
149.09628	3.1
149.13226	1.7
151.11177	9.0
155.02589	1.2
157.10103	0.9
159.11711	2.8
161.09587	1.0
161.13219	1.8
163.11226	2.8
164.09502	0.9
165.12770	8.9
169.06483	1.3
169.11780	0.7
171.11671	0.8
173.13287	1.5
175.11104	1.1
176.11476	0.7
177.00740	1.9
177.12808	1.1
180.10205	8.8
183.11653	0.9
185.13219	1.3
188.07077	7.6
189.11246	1.9
190.51283	1.0
197.07266	10.1
219.13815	0.8
219.17433	1.1
221.15248	0.8
225.24622	0.8
233.09695	0.9
234.09088	1.2
245.09645	0.8
247.20520	0.9
251.16420	5.0
257.19061	0.9
263.10587	1.2
275.20044	13.0
276.19818	2.5
293.07895	0.9
293.11597	1.1
293.21106	52.4
294.10678	2.2
294.14737	1.8
294.21381	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
55.01864	9.2
55.05508	25.0
57.03432	25.6
57.07070	15.3
60.99028	5.6
67.05511	72.6
69.07081	50.1
69.35322	28.4
69.35754	26.8
76.80367	5.5
79.05500	59.8
81.03436	10.6
81.07051	90.8
83.04989	9.8
83.08600	15.5
85.06553	10.4
91.05484	42.4
93.07033	53.4
95.04984	14.0
95.08598	70.0
97.06543	14.4
97.10193	8.2
98.20795	13.5
105.07030	32.5
106.00784	6.3
107.04936	9.6
107.08601	35.4
109.06513	25.1
109.10159	24.7
111.04433	18.8
117.07021	17.2
119.08595	32.4
121.06574	9.6
121.10151	25.2
123.08047	16.0
131.08583	26.9
133.10121	19.6
135.11702	14.8
137.09624	26.5
139.11206	7.5
145.10152	21.4
147.11681	19.3
149.09610	15.6
151.11215	7.8
157.10233	6.6
159.11705	8.7
163.11163	6.0
173.13263	10.7
177.12863	8.4
185.13190	9.3
197.07259	20.3
201.16458	7.6
219.17448	97.8
229.19498	7.4
247.20700	7.8
257.18973	6.8
275.20056	64.0
293.21054	100.0
293.24258	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	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03949	2.8
55.01867	11.2
55.05509	24.2
57.03436	10.3
57.06820	4.2
57.07078	42.8
60.15425	2.7
63.36831	2.8
67.05508	56.8
69.03426	8.5
69.07068	75.5
70.07839	3.1
70.50518	6.6
70.50904	6.7
71.08635	14.3
79.05493	41.9
81.03427	28.1
81.07056	63.4
83.04973	7.7
83.08624	11.6
85.06551	6.3
91.05478	32.9
93.07042	37.8
95.04978	43.9
95.08602	45.9
97.06538	11.5
97.10143	4.4
99.08092	9.3
105.07031	32.5
107.04976	12.3
107.08580	26.8
109.06517	18.9
109.10172	16.8
111.04433	8.1
111.08094	6.5
115.07590	13.7
117.07050	11.9
119.08582	16.7
121.06508	13.8
121.10155	17.5
123.08101	7.8
123.11684	8.1
125.05993	3.2
125.09644	6.4
126.99433	6.2
129.01056	7.0
129.07014	6.8
131.08572	15.6
133.10121	23.7
135.08093	4.0
135.11717	10.7
137.09644	8.9
139.11194	6.2
141.01045	9.9
145.10121	17.7
147.08109	4.1
147.11694	14.1
149.09615	9.5
149.13351	3.9
151.11185	100.0
153.05498	4.2
157.10127	5.6
159.08165	3.3
159.11734	10.1
161.09660	6.1
163.11229	11.2
165.12688	4.5
173.13312	8.0
175.11143	3.3
177.12721	10.3
181.05016	7.1
187.30078	3.2
191.10721	6.3
197.07300	38.0
201.16400	4.2
209.11719	17.2
219.17525	6.9
223.13193	3.4
225.06798	4.8
229.19626	3.6
237.11153	25.1
237.14839	4.3
247.20708	3.4
249.07347	4.8
257.19000	14.3
263.13071	6.0
264.10172	4.8
275.20053	73.2
278.07999	5.0
278.11627	3.8
279.12576	11.0
293.10141	6.5
293.14056	3.8
293.21112	75.5
293.24271	4.8
294.10153	10.8
294.14832	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03934	5.2
55.01860	9.5
55.05509	22.9
57.03431	2.9
57.07074	21.8
65.03944	2.6
67.05498	40.1
69.07064	100.0
70.07841	3.0
70.33975	6.9
71.05000	4.6
79.05490	41.5
79.37856	1.7
81.03424	5.9
81.07051	90.7
83.04968	4.8
83.08611	13.7
85.06532	3.5
91.05478	31.6
93.07035	26.4
95.04958	14.5
95.08603	30.9
97.06516	5.6
97.10163	4.6
105.07022	34.9
107.04951	8.5
107.08580	23.2
109.06516	24.1
109.10168	11.3
111.08073	3.4
113.01553	2.1
115.07546	26.3
117.07005	7.3
119.08569	26.3
121.06507	4.4
121.10117	13.1
123.08105	13.9
123.11730	4.9
126.99477	5.0
129.01025	11.0
129.06992	5.1
131.08542	11.5
133.10104	18.6
135.08020	6.6
135.11673	7.1
137.09631	8.1
141.01028	14.3
143.08615	1.9
144.27443	2.1
145.10109	10.5
147.11702	13.8
149.09615	11.8
149.13304	4.1
151.11182	5.4
155.02547	5.4
157.10161	2.5
159.11700	7.1
161.09570	3.6
161.13176	3.3
163.11186	6.5
165.12721	2.6
171.11606	3.2
173.13263	6.9
175.11153	3.3
175.81351	1.9
183.11703	2.8
197.07269	67.3
210.16272	2.2
213.16470	2.0
225.06789	5.3
229.19485	3.5
239.17908	3.3
247.20543	6.6
248.45656	2.0
257.19009	7.3
275.20044	51.0
276.20264	2.4
293.21066	30.6
294.10010	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	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.13429	2.7
51.57499	2.5
53.03928	5.8
55.01856	17.7
55.05510	66.7
57.03411	5.3
57.07076	29.9
57.10848	3.1
57.24240	2.8
59.04996	4.0
60.99112	3.0
63.15267	2.8
67.05502	53.9
69.03424	6.2
69.07062	86.1
70.00919	5.8
70.01314	11.7
70.07835	6.8
71.05035	4.0
79.05489	96.6
81.07053	31.3
83.04981	15.7
83.08617	25.3
91.05480	36.0
93.07043	45.2
95.04951	14.9
95.08614	12.0
97.06512	19.2
97.10168	33.6
105.07017	33.0
105.79007	3.2
107.04947	50.6
107.07856	4.9
107.08586	76.2
109.06519	6.5
109.10172	26.5
111.08044	4.0
113.01546	2.8
115.07568	26.4
117.07004	9.4
119.08556	20.5
121.06524	4.4
121.10124	20.4
123.08096	3.8
123.11703	7.4
125.09631	40.8
126.99484	8.9
129.01004	13.1
129.07011	3.7
131.08565	12.0
133.10135	25.9
135.08087	6.7
135.11664	7.2
136.23116	3.6
141.01001	16.3
145.10095	10.8
147.11687	15.3
149.09615	100.0
153.09064	8.3
155.02609	6.6
159.11726	9.6
161.13228	6.3
167.10637	3.2
171.10185	3.7
173.11751	6.2
173.13208	4.3
183.11641	4.1
187.13330	3.5
189.11153	24.0
197.07269	58.6
215.17924	4.1
220.06673	3.2
229.19545	10.0
247.20505	4.1
257.19003	25.9
269.86853	3.3
275.20056	96.4
293.21088	9.1
294.10022	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	293.2107
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
50.03408	2.2
53.03936	5.2
55.01864	26.7
55.05507	18.7
57.03429	7.5
57.07069	11.3
57.73782	1.7
67.05496	29.8
69.07060	43.4
79.05482	41.7
81.03414	5.6
81.07052	33.5
83.04958	5.6
83.08606	9.5
85.06524	2.8
88.99310	1.9
89.27190	2.1
90.38392	2.0
91.05480	32.4
91.06013	3.7
93.07030	35.6
94.98826	2.0
95.04986	9.7
95.08603	22.3
96.98365	1.9
97.06524	20.5
97.10149	12.9
105.07010	28.1
107.04939	9.6
107.08580	57.1
109.06519	12.8
109.10131	11.3
114.51701	2.0
115.07554	11.4
117.06985	9.6
119.08559	21.4
121.06464	2.3
121.10143	12.5
123.08062	7.9
123.11655	2.8
125.09589	12.4
126.99446	2.5
129.01012	3.6
129.06981	3.6
131.08556	13.0
133.10132	17.6
135.08020	3.3
135.11661	7.7
137.09584	3.2
141.00995	5.7
143.08517	4.0
145.10074	11.6
147.11687	18.1
149.09636	15.8
151.11180	7.3
157.10133	4.9
159.11673	13.8
161.09576	3.4
161.13243	7.1
163.11154	8.3
165.09105	6.0
171.11691	2.9
173.13263	7.3
175.11153	3.1
177.12735	3.3
183.11697	3.6
185.13281	7.2
187.11168	4.9
189.11195	5.1
197.07278	22.6
197.13194	2.3
201.16365	2.8
203.14314	4.0
210.43854	2.1
219.17442	15.2
221.15367	4.9
229.19447	8.0
239.17889	7.5
247.20529	7.4
257.18930	15.2
275.20026	100.0
276.20544	2.1
293.20999	15.6
294.09982	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03936	6.1
55.01865	16.8
55.05259	1.9
55.05509	26.2
57.03432	1.8
57.06812	2.6
57.07070	26.6
62.18538	1.7
65.03946	1.8
67.05503	33.0
69.03426	2.2
69.07062	100.0
69.95456	8.1
70.07838	6.2
71.05001	1.9
79.05486	46.9
81.03396	6.4
81.07052	30.2
83.04962	4.4
83.08611	10.7
85.06517	2.3
87.04462	1.9
91.05470	27.1
93.07037	34.9
95.04980	10.4
95.08598	18.3
97.06529	21.4
97.10167	16.2
99.00023	3.0
105.06377	2.2
105.07025	27.8
107.04961	9.7
107.07855	3.1
107.08586	65.8
109.06499	6.4
109.10152	12.1
111.08054	2.9
112.31342	1.7
113.01569	1.6
115.07568	18.5
117.07001	6.5
119.08566	13.3
121.06525	4.1
121.10143	13.3
123.08077	5.4
123.11713	4.3
125.09612	10.4
126.99499	7.8
129.01027	12.0
131.08559	12.1
133.10118	17.3
135.08047	4.7
135.11699	11.4
137.09576	3.4
141.00996	14.9
141.07001	2.0
145.10091	10.3
147.11696	11.9
149.09634	16.2
149.13226	5.9
151.11157	7.6
155.02576	5.0
157.10088	2.1
159.11723	10.2
161.13222	5.5
163.11137	3.4
165.09090	6.0
169.10229	2.1
171.11652	3.1
173.13248	5.2
175.42941	1.5
177.12747	3.4
187.11128	3.9
189.11197	8.5
197.07275	59.0
197.13255	2.4
205.12044	1.9
225.06776	2.6
229.19490	4.5
239.18097	4.1
247.20573	4.9
257.18985	9.5
275.20016	77.0
276.20422	2.9
279.56622	1.6
293.21124	21.8
294.09976	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	4.5
55.05506	9.2
57.03437	10.9
57.07072	28.8
61.02945	4.6
67.05508	29.7
67.74794	4.1
69.03431	55.8
69.07072	36.1
70.06595	30.1
70.60275	11.0
71.04990	7.7
72.08144	14.1
73.02916	7.9
73.06535	6.6
81.03400	12.5
81.07054	31.5
84.04510	13.5
84.08156	34.6
85.02914	100.0
85.06528	12.7
86.09699	9.2
91.05439	4.8
94.94274	4.9
95.04974	11.5
95.08607	17.6
97.02893	43.9
99.04461	9.3
107.04941	7.7
109.02883	9.1
109.10157	12.1
110.07179	13.5
112.36350	4.4
113.05983	40.9
120.08128	22.5
123.11736	7.6
127.03935	53.4
129.10231	12.1
130.05016	12.4
130.08763	4.5
131.08563	3.9
136.07591	5.3
141.01050	10.4
145.04977	14.7
147.04347	5.3
151.07642	5.1
162.07747	10.3
197.07294	15.9
226.17879	4.5
266.77295	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	293.2108
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03930	4.5
55.01867	26.0
55.05505	25.0
57.03432	3.0
57.06819	2.6
57.07072	33.8
59.95163	1.9
67.05499	27.3
69.03408	3.3
69.07062	100.0
70.04059	9.9
70.07832	5.2
71.04795	3.5
71.08631	2.3
76.72121	1.9
79.05479	38.3
79.05906	4.0
81.03400	4.2
81.07053	23.9
83.04926	13.6
83.08628	12.4
85.06534	3.9
89.67924	2.0
91.05475	26.5
93.07038	22.9
95.04975	11.0
95.08595	18.8
97.06515	23.0
97.10167	12.8
98.99965	3.5
105.07029	27.3
107.04932	9.9
107.08581	63.8
109.06490	7.9
109.10143	8.5
111.04418	2.9
111.08043	3.6
115.07559	26.0
117.07009	6.7
119.08558	19.8
121.06515	4.0
121.10133	11.2
123.08079	5.0
123.11671	3.3
125.09607	13.5
126.99450	13.7
129.01041	11.9
129.01799	1.9
129.07071	2.6
131.08568	10.2
133.10114	14.4
135.08025	5.6
135.11655	6.4
137.09546	3.4
141.01022	15.2
141.06979	2.2
145.10103	9.7
147.11650	8.9
149.09616	22.6
151.11128	7.1
152.08159	54.7
155.02527	5.8
159.11710	10.7
161.09578	5.3
161.13217	7.1
163.11096	7.3
165.09108	9.5
167.10536	44.0
169.10158	2.5
171.11653	2.4
173.13264	4.0
176.05141	2.3
177.12758	5.1
187.11107	2.7
189.11189	9.1
191.14291	2.4
197.05417	3.5
197.07254	61.1
197.13223	2.7
209.11671	4.6
223.13329	2.5
224.91968	2.3
225.06816	5.5
229.03094	2.0
229.19495	2.7
237.11169	3.7
239.17972	4.0
247.20560	8.0
257.19037	10.3
275.20035	92.5
293.21011	18.0
294.09995	29.6
303.30246	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	3.7
55.05492	11.3
56.05022	6.5
57.03422	9.8
57.07074	23.8
58.06559	3.4
60.04517	3.4
61.02904	6.9
61.49463	3.3
63.17107	3.4
67.05228	3.4
67.05507	34.8
69.03426	58.9
69.07069	40.5
70.05415	10.2
70.05807	6.9
70.06262	4.3
70.06594	54.5
71.01333	3.7
71.04996	4.2
71.06911	6.3
72.08158	34.9
72.22205	3.5
72.93776	6.1
73.02940	5.6
73.06546	12.3
79.05482	5.2
81.03392	13.1
81.07059	31.4
83.06120	8.1
84.04505	27.3
84.08145	91.9
85.02438	7.2
85.02908	100.0
85.06525	14.7
86.09692	8.3
87.02599	4.0
88.03954	4.1
91.05476	9.0
93.07044	8.2
95.04953	13.5
95.08605	20.4
97.02893	39.9
97.06503	4.6
98.09708	21.6
98.97582	4.6
99.00030	5.1
99.04436	12.3
100.07586	7.5
101.10779	9.7
102.05499	3.8
107.04944	15.2
109.02869	3.9
109.10130	13.6
110.07171	29.6
110.09676	10.6
112.11233	5.2
113.05996	41.3
115.07563	13.3
115.08679	6.2
115.12321	7.0
116.07077	4.9
119.04939	14.4
119.08612	4.1
120.08105	38.3
122.09663	21.1
123.11697	5.3
126.07870	3.6
126.99487	4.8
127.03918	59.2
129.01056	7.3
129.10223	9.4
129.13872	5.2
130.04980	13.1
130.96329	8.8
132.95833	5.5
134.09698	6.4
136.07591	20.3
136.11195	6.1
137.13245	3.9
139.01463	3.9
141.01051	8.2
142.08662	8.6
143.03468	4.0
145.04945	15.0
146.99666	3.9
147.04398	26.5
147.05634	6.3
147.07654	10.0
147.11476	3.4
147.79739	3.4
148.11215	19.5
148.97345	10.5
150.96915	4.3
151.56184	3.7
156.07672	5.5
156.10114	3.5
157.10970	6.7
161.03062	4.8
172.97362	6.7
176.98459	6.4
179.15370	6.8
182.08066	5.4
184.09682	4.6
184.18045	3.2
184.97336	7.5
186.96861	5.0
189.10078	8.1
197.07275	31.4
202.10823	4.2
224.21233	5.8
232.99467	4.9
234.98988	9.6
247.10658	4.0
247.15414	4.9
249.07399	7.6
251.00700	3.6
275.12714	4.0
276.01758	4.1
278.07919	8.4
279.12677	4.5
292.99094	3.7
293.11871	31.0
293.27142	8.4
294.10336	6.2
294.14883	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1228
Annotation	Itoside L
Peak:m/z	Relative Intensity
51.51141	4.0
53.03944	4.3
55.01868	5.9
55.05492	4.8
56.96561	15.2
57.03431	8.2
57.07070	11.1
57.29472	3.7
59.05008	4.8
61.02913	7.4
66.98711	3.4
67.05501	35.2
67.79976	3.8
69.03418	18.2
69.07059	6.7
70.06585	15.9
71.04988	11.6
71.33403	3.4
71.59636	5.5
72.08149	10.7
73.02923	4.5
81.03417	8.1
81.07037	16.3
84.04498	5.9
84.08119	11.6
84.95994	4.0
85.02899	83.6
85.06525	7.2
85.07682	9.2
86.09678	4.7
91.05481	10.5
93.07006	5.7
95.04961	30.4
95.08606	11.8
97.02898	23.4
98.97560	9.4
99.04444	4.4
107.04959	21.3
109.02881	8.7
113.05996	53.9
116.07086	5.2
116.98647	14.6
119.04930	13.7
123.11707	4.4
127.03925	23.1
131.07059	100.0
131.08141	20.7
134.99631	7.9
135.04370	7.3
136.06129	6.8
145.04921	17.9
146.99675	4.0
147.04396	48.5
147.29440	4.7
161.01271	7.0
163.03935	30.6
163.05907	5.1
165.05521	3.9
187.10826	4.6
205.03461	7.6
212.06343	5.3
234.98996	21.0
237.02841	6.1
251.04442	11.9
292.99713	5.2
293.11374	6.0
293.14853	5.5
293.20837	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	293.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
60.55946	3.7
60.83509	3.7
62.13257	3.6
70.84924	10.5
70.85265	4.1
89.58559	3.6
93.69625	3.9
97.71445	4.0
133.82770	3.7
151.85861	4.4
161.02965	5.2
172.39818	4.0
173.02849	5.0
196.35110	4.8
203.51675	3.6
293.06332	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1165
Annotation	Eupomatenoid 3
Peak:m/z	Relative Intensity
50.54681	0.6
54.85818	0.5
55.01856	2.8
55.05503	1.0
57.07067	0.8
60.04501	0.9
61.01149	11.4
69.07055	2.0
70.43732	0.7
70.92470	0.7
70.92793	1.1
71.04967	0.5
71.06103	0.5
72.04509	10.4
73.02909	1.8
77.00628	0.9
78.03787	26.0
81.03403	2.6
83.04983	2.1
85.02900	15.9
86.06078	3.1
89.07122	0.6
90.05569	0.7
98.02406	1.5
98.06054	1.5
99.04453	10.4
102.03761	39.8
103.02161	3.3
103.03938	31.7
103.04639	1.2
104.01682	1.2
108.04475	0.8
109.02866	6.8
114.03762	3.0
114.05535	2.3
115.05035	1.1
115.07578	0.5
115.08701	1.2
116.03458	0.7
118.03259	1.1
120.04807	7.9
126.05511	28.6
126.46722	0.6
127.03914	9.4
131.06380	18.1
132.04779	15.0
140.63393	0.6
141.06625	1.1
147.05873	1.9
149.07434	100.0
152.07050	2.9
154.08636	4.2
156.06546	2.1
158.02719	1.3
175.05370	4.9
180.06552	25.3
186.05872	1.0
191.08444	1.4
197.07289	1.3
198.07603	7.5
204.06963	0.8
216.08675	5.2
222.07979	1.0
231.11626	5.9
233.09581	1.5
257.09604	3.1
266.10440	0.6
275.10580	4.0
279.51605	0.5
293.11636	67.6
302.49066	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.7
55.25416	0.3
56.05029	4.0
56.96552	0.4
57.07066	0.4
57.77573	0.3
58.06586	1.7
60.04505	0.6
62.06074	0.7
67.05498	3.3
68.05003	0.5
69.03421	0.4
69.07078	1.6
69.26852	1.8
69.27284	1.7
70.06594	2.2
71.04981	0.5
72.04505	2.4
72.08147	0.9
74.06080	3.9
75.36308	0.3
79.05476	1.0
80.05008	0.5
81.07053	4.8
82.06570	1.2
83.08621	0.4
84.08140	2.2
85.06551	0.4
86.09676	0.9
86.36831	0.3
91.05474	1.5
93.07030	1.0
95.08572	1.2
96.08121	0.5
97.06513	0.4
98.06047	1.9
98.09690	0.4
98.20746	0.6
98.97562	0.4
100.07596	0.9
105.07014	1.0
105.07674	0.5
107.04946	0.9
107.08582	1.1
109.10141	1.7
121.10114	0.6
123.08031	0.3
123.11706	0.4
127.49171	0.3
131.04884	0.6
131.08585	0.3
133.10126	0.8
134.89388	0.4
137.05966	0.4
158.23438	0.3
166.15942	0.4
167.31245	0.4
168.13814	1.3
194.15387	5.5
202.76637	0.3
212.16444	20.2
229.15234	0.4
230.17490	100.0
231.17839	2.7
234.99043	0.4
256.19049	0.5
274.20120	6.7
292.10553	0.4
292.13577	0.4
292.21161	2.8
304.72882	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1905
Annotation	eucatropine
Peak:m/z	Relative Intensity
52.16396	0.1
55.05505	0.8
57.16503	0.1
65.03937	0.2
67.05486	0.5
69.07071	0.7
70.06590	0.3
70.63618	0.2
72.08141	0.1
77.41465	0.1
78.51018	0.2
79.05474	0.3
81.07044	0.3
84.79835	0.1
89.51038	0.1
91.05478	1.4
92.05000	4.2
93.05778	0.9
93.07044	0.2
94.06564	0.7
95.04977	0.2
97.06517	0.5
98.06850	0.4
103.02137	0.3
106.06539	1.3
107.04952	0.4
111.43382	0.1
117.05734	1.2
117.07048	0.2
118.06532	16.3
119.07322	2.0
120.04469	0.2
120.08097	1.5
121.06429	0.2
129.06999	0.2
130.06509	1.4
131.07312	0.3
131.08401	0.1
132.08075	1.6
133.08852	0.4
134.09624	0.5
143.08498	0.2
144.08083	0.5
144.73788	0.2
145.08865	0.4
146.09622	0.7
158.09610	0.2
160.11179	0.2
162.09126	14.6
163.03806	0.2
163.09908	3.6
164.04260	0.3
164.10727	0.6
173.02280	0.3
174.02733	0.3
175.08644	0.4
176.10631	0.8
176.14284	0.2
185.09903	0.3
188.51987	0.1
195.92328	0.1
202.15901	2.9
216.07375	0.7
230.15378	18.5
231.15746	0.3
234.08286	0.2
248.16446	1.0
274.18005	0.5
292.19034	100.0
293.19370	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01856	1.2
55.05256	0.8
55.05506	8.5
56.96535	0.8
57.03416	3.8
57.07064	2.3
58.99575	5.1
61.01138	3.8
62.75962	0.7
62.99060	1.6
67.05502	8.4
69.07041	3.0
69.81248	3.1
69.81657	1.5
70.06561	1.2
70.71191	0.7
71.04990	1.1
71.08623	27.4
72.08160	0.9
74.00642	1.8
76.02216	6.0
77.00612	1.0
79.05450	2.6
81.07050	3.4
82.47698	0.6
83.04636	0.5
83.04972	6.1
83.08601	1.6
84.08167	0.8
85.01134	0.8
86.09663	0.9
86.99036	5.0
87.02686	4.2
87.37051	0.7
88.02206	2.0
88.03979	1.4
89.00607	7.0
91.05493	1.2
91.76559	0.6
93.07027	1.7
95.04967	1.5
95.08596	0.8
96.04574	0.7
97.06486	0.7
97.10173	3.1
99.08085	21.2
101.04225	0.9
103.02132	2.6
103.05428	1.0
105.00078	7.3
105.07002	1.3
106.78692	0.8
107.04916	0.8
107.08578	1.8
109.09554	0.7
109.10160	7.8
113.04204	1.3
113.49213	0.6
115.02118	1.8
121.06461	3.3
122.02716	25.1
127.11167	6.5
134.02634	0.9
137.05948	1.9
148.04239	1.2
153.12743	6.9
159.04813	3.2
159.08377	51.2
161.05963	1.0
169.06479	1.4
171.13773	1.3
176.07372	1.9
180.11511	0.7
183.12148	0.7
185.09937	100.0
186.10263	1.4
191.68040	0.6
201.47833	0.6
203.10939	3.4
205.09921	0.8
211.11328	0.8
215.08635	1.1
218.06964	0.7
228.14172	2.0
229.12270	0.9
233.09535	0.7
248.13060	0.9
259.07681	0.6
261.09091	2.0
274.14676	11.3
282.87482	0.7
292.03873	0.8
292.15942	1.3
292.19073	2.8
293.11722	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	292.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	0.7
55.05486	1.1
55.19986	0.5
56.96559	38.6
57.07047	1.2
67.05461	1.6
69.07058	3.7
70.04068	4.7
71.11902	1.4
71.95255	3.7
72.96001	2.0
74.97590	0.8
79.05457	1.7
81.07016	2.4
84.96012	0.7
91.05435	1.7
93.07017	1.5
95.04945	0.7
95.08569	0.7
96.08904	0.6
97.96798	0.8
101.83121	0.6
105.07012	1.0
107.04906	0.9
107.08573	0.9
109.06481	0.7
110.97573	1.0
115.00636	0.8
119.08535	1.0
121.10151	0.7
123.01128	1.0
123.08006	1.0
127.00623	1.0
128.98572	1.2
131.00183	0.8
131.08516	0.7
133.01680	1.1
133.10104	0.6
134.68892	0.5
135.08000	0.8
136.29967	0.5
137.02698	2.0
139.00682	0.6
141.02153	0.6
146.99625	1.2
149.01158	1.7
151.07483	1.9
152.07834	1.6
153.02240	0.8
155.03752	2.4
156.03641	0.8
159.03239	1.6
161.04767	0.6
167.03732	0.6
171.03223	1.5
173.04819	1.7
175.89775	0.5
185.04811	0.9
186.48636	0.5
187.02808	0.7
187.06363	1.5
190.12985	0.8
191.05711	0.6
195.06885	2.1
197.07092	0.9
198.12138	0.7
199.06445	2.7
203.05803	1.1
207.06990	0.6
207.13762	0.6
208.14095	1.2
211.09857	1.6
213.07954	20.7
217.07498	4.6
220.10381	1.8
221.08464	0.8
225.07979	5.9
225.11560	0.8
231.09015	37.6
234.15727	0.8
239.09485	3.2
241.11011	1.3
243.09053	6.6
249.10094	0.9
251.09454	11.3
252.09741	0.7
254.10686	0.9
257.10596	3.5
269.10565	98.3
270.10886	1.3
274.18674	1.3
287.11615	100.0
292.12198	9.7
292.19855	4.9
293.10345	0.9
310.13269	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	291.2315
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
51.19633	1.2
53.03927	3.3
55.01854	1.4
55.05269	1.2
55.05510	19.8
57.07051	2.3
57.31618	1.1
65.03937	1.9
67.05498	38.9
69.07058	20.5
69.39636	9.1
79.05486	63.5
79.29417	1.0
81.07047	54.0
83.08598	9.6
85.06516	3.8
91.05467	24.4
93.07034	100.0
95.04961	8.7
95.08599	37.5
97.06495	2.8
97.10154	5.5
99.08077	2.3
100.07128	1.1
102.96447	1.2
105.04503	1.4
105.06387	1.7
105.07025	17.1
107.04925	2.8
107.08584	58.0
109.06504	5.7
109.10136	16.1
111.08025	1.7
117.06982	3.8
119.08567	16.7
121.06531	2.3
121.10135	48.0
123.08053	3.0
123.11682	3.8
125.09597	2.0
129.07022	2.4
131.08540	5.6
133.10132	16.1
135.08038	3.9
135.11679	54.0
137.09654	1.7
139.11127	1.4
143.08511	3.7
145.10117	7.1
147.11690	14.2
149.09584	4.0
149.12041	1.8
149.13239	36.3
157.10115	3.5
159.11681	5.2
161.09563	1.6
161.13258	9.1
163.11166	4.7
163.14801	11.4
165.12688	2.3
171.11659	4.9
173.13200	3.6
175.11218	1.4
175.14845	6.1
177.12679	2.2
181.12148	1.6
185.13216	3.9
189.12750	1.7
196.60893	1.2
199.14735	1.9
203.14305	1.6
209.15343	1.3
209.70250	1.3
213.16402	1.8
217.15891	1.8
217.19437	2.9
231.17476	1.9
235.16896	2.0
241.19450	5.3
249.18427	3.3
259.20572	9.4
291.19641	6.2
291.23132	73.0
292.23560	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	292.0969
Annotation	Pareitropone
Peak:m/z	Relative Intensity
52.27649	3.0
66.33006	3.5
70.08168	11.8
220.07574	14.9
223.06224	4.4
248.07092	63.3
249.07866	32.9
260.07062	7.7
263.05801	5.0
276.06635	43.3
276.09760	6.5
277.07269	34.5
284.34311	3.6
292.09705	100.0
292.12918	3.6
308.49380	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2316
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03934	4.7
55.05506	20.4
57.07059	1.4
59.04971	1.6
65.03944	1.9
67.05498	40.9
68.57921	1.1
69.03390	1.3
69.07060	17.0
70.78136	1.1
77.03925	1.7
77.16793	1.1
79.05487	76.0
81.07050	52.0
83.04979	2.6
83.08609	9.3
85.06509	2.6
85.47231	1.1
91.05471	29.3
93.07037	100.0
95.04980	9.4
95.08593	37.2
97.06516	2.5
97.10170	5.8
105.04509	1.5
105.07011	18.1
107.08585	59.5
109.06500	3.2
109.10148	15.3
114.63682	1.1
115.07542	1.4
117.06986	3.9
119.08572	16.4
121.10127	44.8
123.08033	1.9
123.11678	4.1
129.07016	2.6
131.08537	5.8
132.94035	1.2
133.10141	12.9
135.08058	1.4
135.11678	58.4
137.09579	1.3
143.08533	1.5
144.84315	1.1
145.10110	4.4
147.11691	10.2
149.09607	3.2
149.13242	39.1
151.11192	2.3
157.10103	2.4
159.11702	5.5
161.13245	9.7
163.11177	4.1
163.14824	9.4
171.11667	2.8
173.13287	2.7
175.11201	2.0
175.14784	5.0
176.85498	1.1
177.12715	2.7
185.13240	3.0
199.14833	2.7
203.14291	2.4
208.86517	1.2
209.15384	2.2
211.60448	1.1
213.16374	1.6
217.19466	2.9
221.15285	1.5
235.16922	2.5
241.19482	5.2
259.20532	10.3
291.23157	63.1
292.23438	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2318
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
51.52088	1.5
53.03938	4.2
55.01832	1.8
55.05308	1.6
55.05508	19.2
57.07071	3.6
64.23955	1.4
65.03924	1.8
67.05504	35.1
69.03403	1.9
69.07059	15.9
69.42540	7.9
69.42970	5.9
73.06531	2.3
79.05490	66.7
81.06583	2.0
81.07056	40.4
83.04972	2.3
83.08606	9.3
83.74561	1.5
85.06532	4.2
91.05476	28.5
93.07040	100.0
95.04959	9.6
95.08605	31.1
97.06506	2.8
97.10149	4.7
99.08123	1.7
105.04504	1.8
105.07021	18.6
106.90205	1.4
107.04957	8.3
107.08593	58.4
109.06513	3.2
109.10149	20.6
111.11703	2.2
117.06979	3.3
119.08581	18.9
121.06479	2.8
121.10139	48.6
123.08082	3.4
123.11713	4.6
129.06985	3.3
131.08577	7.6
133.10135	16.9
135.08026	3.6
135.11691	45.4
137.09575	2.6
143.08548	3.3
145.10098	6.1
147.08084	1.6
147.11688	11.4
149.09561	5.1
149.13260	27.4
151.11185	1.9
157.10091	3.4
159.11674	6.4
161.09583	2.4
161.13263	11.1
163.11137	5.0
163.14900	7.7
171.11658	3.3
173.13255	3.7
175.14796	3.8
177.12750	2.6
177.16362	1.7
185.13295	2.5
189.12743	3.9
199.14880	2.6
203.14290	1.8
207.13710	2.5
217.19423	2.7
231.21059	2.3
241.19429	4.5
249.18510	3.9
259.20529	8.7
291.19592	11.9
291.23138	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.3
55.01851	1.7
55.05254	2.1
55.05506	22.8
57.07063	4.1
59.04995	2.0
65.03940	1.7
67.05503	45.5
69.03415	2.3
69.07066	18.5
71.04980	2.0
71.59875	1.8
79.05489	81.8
81.03378	1.5
81.07052	56.4
81.49174	1.2
81.65092	1.3
83.04945	2.8
83.08617	14.2
85.06530	3.9
91.05473	31.8
92.76837	1.4
93.07039	100.0
94.07372	1.3
95.04955	9.5
95.08601	37.7
97.06505	3.2
97.09094	1.3
97.10147	3.5
99.08081	2.2
105.07027	20.6
107.04929	3.5
107.08588	63.5
109.06508	8.6
109.10146	19.4
111.08076	2.8
115.07580	1.4
117.07028	5.9
119.08574	18.5
121.06514	2.6
121.10137	48.9
123.08051	6.3
123.11700	5.3
125.09591	1.7
129.06953	3.4
131.08585	11.1
133.06477	1.5
133.10100	16.2
135.08070	6.5
135.11684	60.9
136.12021	1.3
137.09583	3.1
139.11113	1.4
143.08569	4.4
145.10161	6.2
147.08061	2.5
147.11659	11.6
149.09648	6.5
149.13245	38.6
151.07510	2.5
157.10091	4.4
159.11662	5.3
161.09593	2.8
161.13290	8.6
163.11154	4.6
163.14833	12.6
171.11699	4.1
173.13246	4.1
175.11166	2.4
175.14816	5.2
177.12689	4.1
185.13216	3.8
188.92451	1.6
189.12753	4.8
191.10680	3.0
195.13907	1.3
199.14821	1.7
203.14323	4.3
205.89104	1.3
207.13753	2.1
208.25436	1.3
213.16441	2.3
217.15787	2.8
217.19434	2.7
221.15475	1.9
231.17383	2.6
233.15251	2.1
235.17075	2.3
241.19403	5.9
245.19026	1.5
249.18498	4.2
256.75104	1.3
259.20612	10.8
273.18481	3.4
291.19540	30.9
291.23132	61.3
292.23257	1.8
302.98016	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35408	1.1
53.03939	5.6
55.01866	3.6
55.05508	20.5
57.03425	1.5
57.07061	4.3
59.04999	1.8
61.47715	1.0
65.03947	1.4
67.05499	38.6
69.03421	1.8
69.06711	1.6
69.07061	17.6
69.29722	1.0
71.15874	2.3
73.06544	2.2
79.05489	72.2
81.03408	1.3
81.07053	53.1
83.04971	2.1
83.08611	10.1
85.06533	4.5
91.05476	26.9
93.07036	100.0
94.07389	2.2
95.04968	11.0
95.08601	34.8
97.06512	3.3
97.10146	5.5
105.03431	1.1
105.04459	1.9
105.07026	22.7
107.04942	3.1
107.08585	57.9
109.06534	6.3
109.10156	12.7
111.08080	2.4
117.07007	5.4
119.08573	15.8
121.06482	2.5
121.10138	41.0
123.08058	3.8
123.11713	4.1
125.09637	1.9
129.06993	3.2
131.08553	7.2
133.06474	2.1
133.10127	14.8
135.08061	5.6
135.11681	52.3
137.09586	3.6
139.11130	1.2
143.08534	4.5
143.27654	1.1
145.10115	6.8
147.08002	2.1
147.11678	8.7
149.09604	3.6
149.13245	34.6
151.11125	1.2
157.10196	2.8
159.11618	3.4
161.09631	3.1
161.13239	7.9
163.11185	5.0
163.14812	9.8
171.11690	3.6
173.13208	3.2
175.11229	1.5
175.14824	5.6
177.12738	3.9
179.79735	1.1
185.13260	5.2
187.52501	1.1
189.12727	3.0
193.12216	1.7
199.14810	1.9
207.13806	2.6
209.15344	2.5
213.16351	2.3
217.15919	1.9
217.19475	2.0
235.16971	2.4
241.19501	3.9
249.18422	5.6
259.20605	8.5
273.18518	2.8
291.19565	19.6
291.23151	53.0
292.23309	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03926	4.2
55.01870	22.7
55.05505	23.3
57.03436	17.9
57.07066	3.5
57.26762	1.7
63.86475	1.7
65.03918	7.1
67.05498	77.3
69.03401	5.3
69.07054	12.7
71.04984	4.8
71.20898	2.2
71.21237	3.3
73.58717	1.7
75.10566	1.9
79.05486	63.4
81.03398	5.5
81.06582	3.1
81.07047	52.1
83.04970	8.9
83.08610	8.0
85.06502	5.3
88.46623	1.7
91.05472	53.3
93.07037	38.1
95.04959	100.0
95.08581	21.9
97.06509	7.5
97.10142	4.1
103.05419	2.5
105.06387	1.4
105.07017	33.6
107.04940	28.5
107.08586	31.1
109.06508	77.5
109.10146	7.3
111.08047	5.4
115.05447	6.2
116.06181	2.7
117.07010	19.3
119.08576	22.1
121.06489	13.6
121.10116	7.7
123.08051	6.2
123.11663	1.9
125.09599	3.3
128.06209	4.9
129.06979	9.9
130.07805	2.0
131.08565	24.6
133.06471	7.4
133.10129	8.8
135.08038	93.3
135.11670	9.1
137.05939	2.8
137.09528	2.3
142.07758	2.7
143.08543	11.3
145.06369	1.9
145.10106	18.4
147.08020	12.8
147.11711	4.1
149.09570	12.1
149.13235	4.3
151.07483	3.5
157.10086	6.8
159.08022	2.8
159.11664	10.1
161.09543	10.8
163.11188	6.5
171.11632	3.1
175.11168	3.8
177.12692	3.5
178.08253	1.8
183.11667	2.6
185.13176	2.6
189.12808	2.8
199.11140	2.3
199.14803	3.4
201.12573	2.0
217.15836	16.5
221.07765	2.2
227.17981	3.3
233.15161	2.5
237.16333	2.1
245.18889	2.9
255.17442	4.4
273.18494	34.8
291.19501	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.28291	0.8
51.85831	1.1
53.03937	2.9
55.01625	1.5
55.01871	23.0
55.05511	14.2
57.03178	1.5
57.03433	17.7
65.03938	1.7
67.05503	21.0
69.03429	2.2
69.07069	5.5
69.31052	1.2
69.31376	11.5
71.04992	2.1
79.05490	45.3
79.73470	0.9
81.03391	2.1
81.06575	1.5
81.07056	25.1
83.04949	1.0
83.08604	4.3
85.06529	4.0
91.05476	36.1
93.07041	25.1
95.04967	9.3
95.08600	9.9
97.06516	1.9
97.10167	2.9
103.05439	1.4
105.07023	21.9
107.04958	13.0
107.08588	29.5
107.27657	1.2
109.06513	70.1
109.10132	4.1
115.05459	2.6
117.06995	16.1
119.04910	1.2
119.08573	12.0
121.06523	6.8
121.10124	6.1
123.08080	3.1
125.09639	1.6
128.06236	2.3
129.07021	9.6
131.08568	17.9
133.06464	2.3
133.10124	6.3
135.08044	100.0
135.11670	4.2
142.73634	1.1
143.08533	6.6
145.10124	12.4
147.08017	6.0
147.11635	1.5
149.09604	6.6
149.13277	1.6
155.08476	1.4
157.10101	7.3
159.08058	2.3
159.11703	3.9
161.09605	10.2
161.13232	1.1
163.11162	3.5
171.11667	4.1
175.11208	3.0
177.12793	1.6
183.11760	1.8
185.13258	2.3
189.11104	1.3
195.11748	1.4
195.13818	1.4
199.14847	4.1
201.12674	1.6
213.12753	1.2
217.15862	19.2
219.13802	1.1
223.13574	1.0
227.17955	2.0
237.16321	1.6
245.18980	2.4
255.17421	2.8
256.42499	1.5
273.18469	24.5
291.19528	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
51.11275	0.4
53.03934	0.9
55.01863	2.7
55.05264	0.7
55.05507	8.7
56.78425	0.4
59.04982	0.4
59.09036	0.3
65.03927	0.6
67.05496	4.2
69.03419	0.9
69.07055	3.6
69.31708	4.1
71.04984	0.8
74.48051	0.4
78.73293	0.4
79.05064	0.5
79.05486	7.3
81.03394	1.0
81.06581	0.5
81.07047	5.9
83.04948	0.8
83.08612	3.7
91.05471	7.5
93.07038	5.2
95.04954	3.5
95.08611	2.1
97.10171	3.2
98.21501	0.8
101.09608	0.4
105.07008	6.2
107.04926	3.3
107.08599	2.4
109.06503	0.9
109.10137	1.0
110.75096	0.4
111.08090	0.4
115.05484	0.5
117.07011	3.3
119.04928	2.0
119.08575	6.0
121.06487	2.2
121.10130	1.8
123.08026	0.9
125.09625	1.8
127.48732	0.4
128.06192	0.4
129.06985	1.9
130.07779	0.8
131.08540	3.0
133.06482	3.2
133.10115	1.4
134.07262	0.8
135.08037	1.7
135.11694	0.7
137.09587	0.4
142.07829	0.5
143.08559	1.2
145.10126	2.5
147.08044	4.3
149.09604	0.9
157.10069	0.9
159.08044	0.5
159.11661	0.5
161.09612	1.2
162.06378	0.4
162.10356	1.3
163.11153	1.4
171.11772	0.7
175.11137	0.7
185.13202	0.4
189.11177	0.6
223.13255	1.5
226.89388	0.4
245.19092	0.6
246.15172	0.4
249.14877	2.3
255.17499	0.5
273.18390	3.9
291.19507	100.0
292.19781	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1947
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
50.38447	0.4
53.03930	1.0
55.01867	2.7
55.05505	9.9
57.03427	0.5
59.04999	0.4
65.03918	0.6
67.05501	5.8
69.03408	1.3
69.07063	4.0
70.04059	1.2
71.04970	1.0
71.07938	0.6
71.08267	0.7
79.05057	0.7
79.05486	8.5
81.03381	0.9
81.07052	8.6
83.04960	1.2
83.08212	0.4
83.08619	4.4
85.06538	0.5
91.04963	0.7
91.05476	8.9
93.07034	6.5
94.04156	0.5
95.04957	4.5
95.08595	3.3
97.06503	0.7
97.10165	4.6
105.07018	6.8
107.04942	4.1
107.08578	4.2
108.05740	0.6
109.06490	1.2
109.10124	1.6
111.08065	0.7
112.09736	0.3
115.05420	0.6
116.06239	0.5
117.07011	3.6
119.04931	2.2
119.08570	7.0
120.05698	0.7
121.06503	2.6
121.10140	1.7
123.08009	0.8
123.11655	0.4
125.01531	1.2
125.09603	3.1
126.01846	0.6
128.06197	0.9
129.06984	2.1
130.07741	1.0
131.08574	4.3
133.06473	4.0
133.10100	1.6
134.07245	1.3
135.08037	1.8
135.11591	0.6
137.09549	0.9
141.07036	0.3
142.07774	0.5
143.08514	1.8
145.06529	0.4
145.10129	2.9
147.08032	5.2
147.11664	1.0
149.09587	1.2
151.07451	0.8
157.10110	1.1
159.07999	0.5
159.11691	1.2
161.09615	1.8
162.10394	1.1
163.11177	1.1
165.09056	0.5
171.11699	0.8
175.11156	1.2
181.10103	0.4
183.95836	0.4
185.13237	0.4
189.11215	1.1
189.12758	0.4
214.55357	0.4
223.13327	1.8
237.16316	0.4
245.18887	0.7
246.84500	0.4
249.14940	3.0
255.17296	0.9
261.14859	0.5
262.15454	0.5
263.16602	0.5
265.20911	0.3
273.18457	6.2
291.19513	100.0
292.13779	0.5
292.19870	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1951
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03936	0.9
53.39220	0.3
55.01863	2.5
55.05267	0.6
55.05510	8.6
56.96552	0.8
57.03421	0.6
57.07065	0.7
58.25042	0.2
59.04988	0.3
65.03931	0.5
67.05167	0.4
67.05500	6.0
69.03404	1.2
69.07059	4.1
71.04964	1.2
71.08621	0.3
71.21609	0.7
71.56300	0.2
73.45255	0.3
79.05485	8.6
81.03401	0.8
81.07053	6.8
83.04961	1.2
83.08205	0.4
83.08619	3.8
91.05476	7.7
93.07038	7.8
94.04227	0.4
95.04969	4.6
95.08609	3.4
97.06551	0.7
97.10157	3.5
100.54807	0.4
103.05460	0.6
104.06319	0.4
105.07021	8.0
107.04952	4.0
107.08587	4.5
108.05726	0.6
109.02965	0.3
109.06474	1.8
109.10134	1.1
111.08072	0.7
115.05470	0.7
116.06182	0.5
117.07004	3.0
119.04194	0.3
119.04932	1.8
119.08580	4.8
120.05688	0.7
121.06487	2.6
121.10140	2.1
123.08057	2.0
125.09637	1.8
127.07428	0.3
128.06244	0.4
129.07021	1.6
130.07753	0.8
131.08572	4.0
132.05681	0.3
133.04240	0.4
133.06502	3.9
133.10114	1.8
134.07240	1.5
135.08034	1.7
135.11673	0.9
137.09589	0.7
141.06879	0.3
143.08548	1.8
145.10126	2.3
146.96547	0.3
147.08049	4.1
147.11676	1.1
149.09598	1.6
149.13251	0.6
151.07530	0.6
157.10106	1.3
159.11690	1.0
161.09630	1.3
162.10434	1.4
163.11150	1.3
163.80936	0.3
165.09119	0.8
171.11711	0.9
173.09590	0.3
173.13271	0.4
175.11165	1.1
175.14755	0.4
185.13206	0.4
189.04337	0.9
189.11212	0.4
189.12791	0.7
199.14700	0.3
203.14417	0.3
207.05290	0.4
207.13725	0.5
223.13260	1.6
233.15549	0.3
245.18968	0.7
249.14822	3.3
249.18427	0.8
261.14771	1.0
262.15695	0.4
273.18466	3.8
291.19519	100.0
292.19894	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
50.88095	0.2
53.03928	0.8
55.01871	2.5
55.05507	8.5
57.03413	0.6
57.07077	0.3
59.04985	0.3
65.03923	0.6
67.05166	0.3
67.05496	4.5
69.03426	1.2
69.07059	3.1
71.04984	0.7
71.43956	0.3
76.03297	0.2
78.17920	0.2
79.05487	7.1
81.03410	1.0
81.07054	5.8
83.04961	1.0
83.08617	3.7
85.06513	0.3
91.05478	7.0
93.07043	5.5
94.04201	0.4
95.04966	3.1
95.08595	2.2
97.06528	0.5
97.10165	3.2
101.09602	0.3
103.05473	0.6
104.06233	0.4
105.07021	6.8
107.04954	3.2
107.08587	3.1
108.05714	0.8
109.06471	0.9
109.10126	1.0
115.05438	0.7
117.07013	2.6
119.04955	1.8
119.08578	4.3
120.05700	0.5
121.06493	2.4
121.10154	1.3
123.08067	1.3
123.11697	0.3
125.09630	1.7
128.06247	0.5
129.07034	1.5
130.07764	0.5
131.08563	2.8
132.05702	0.3
133.06480	3.8
133.10107	1.2
134.07272	1.1
135.08051	1.2
135.11635	0.6
138.22629	0.3
143.08522	1.0
145.06496	0.4
145.10097	2.1
147.08040	3.4
147.11662	0.5
149.09587	0.9
157.10104	1.0
159.08104	0.3
159.11674	0.6
161.09627	1.3
162.10431	1.4
163.11172	0.9
165.09076	0.4
171.11737	0.3
175.11191	0.8
223.13309	1.1
227.18037	0.3
233.67183	0.3
249.14795	1.7
249.18523	0.5
255.17407	0.3
261.14862	0.6
262.15756	0.3
263.16446	0.3
273.18478	3.1
291.19522	100.0
292.19907	1.4
307.65625	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1951
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03937	8.7
53.85350	4.0
55.01867	20.5
55.05514	68.1
57.03448	7.7
59.04988	6.5
67.05501	51.9
69.03420	8.1
69.07063	16.5
69.45773	19.6
69.46199	15.3
71.04993	5.3
72.67348	4.2
79.05064	7.2
79.05498	84.3
81.03422	7.6
81.07062	77.1
83.04988	8.5
83.08628	23.7
85.06529	5.1
86.73386	4.5
91.05482	100.0
93.07051	38.8
95.04948	25.3
95.08601	21.3
97.10152	32.1
100.15121	4.5
103.05453	6.5
105.03387	7.2
105.07042	38.3
107.04971	22.6
107.08568	31.1
109.06535	19.3
109.10172	18.3
115.05495	9.1
116.06287	4.8
117.07029	44.8
119.08572	94.6
119.09358	7.0
121.06527	22.8
121.10152	11.0
123.08094	8.5
125.09666	32.8
128.06242	5.1
129.07033	21.4
131.08560	40.7
133.06488	7.6
133.10155	10.4
135.08040	26.6
135.11688	4.5
137.09615	6.7
143.08566	23.1
145.10133	40.4
147.08041	63.1
149.09636	11.7
151.07521	6.0
157.10130	12.9
159.08070	5.2
159.11700	11.5
161.09641	13.2
163.11189	5.8
171.11711	7.9
173.13168	4.8
185.13298	8.9
189.11227	16.8
203.14241	5.4
206.03630	5.0
213.12936	5.1
217.15904	7.6
219.57596	4.4
223.13246	5.5
227.17853	5.2
249.14926	9.6
255.17386	13.8
273.18488	95.5
273.21252	7.8
291.19550	81.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
50.36112	1.0
53.03939	2.1
55.01627	1.2
55.01868	21.8
55.05295	1.1
55.05506	12.7
56.96550	1.9
57.03429	17.6
59.04994	1.1
67.05500	21.3
68.14742	1.5
69.03429	2.5
69.07055	5.4
69.86477	2.5
69.86890	4.2
71.04962	2.2
71.53555	1.1
75.51325	1.2
79.05486	40.8
81.07051	19.0
83.04960	2.7
83.08601	4.9
85.06519	4.2
91.05470	31.9
93.07032	23.5
94.04194	1.1
95.04964	6.8
95.08601	8.8
97.06513	2.6
97.10153	2.8
105.07017	23.0
107.04948	15.8
107.08584	24.3
109.06514	64.2
109.10123	4.7
111.08067	2.9
115.05418	2.6
116.06196	2.2
117.07014	14.6
119.04955	1.9
119.06006	1.5
119.08574	8.6
121.06491	3.8
121.10142	6.3
123.08054	3.9
128.06194	2.3
129.07007	5.6
130.07777	1.8
131.08549	15.2
133.06450	3.4
133.10112	5.1
134.07286	1.2
135.08044	100.0
135.11644	4.2
138.05510	2.2
139.05858	1.6
141.06923	1.2
143.08562	8.3
145.10100	10.7
147.08026	5.8
147.11703	1.5
149.09612	9.4
149.13231	2.7
151.07495	1.7
157.10075	5.9
159.08072	2.0
159.11665	5.9
159.34746	1.1
161.09630	10.5
163.11148	2.8
171.11667	3.6
173.13254	2.1
173.38377	1.3
175.11209	3.8
177.12740	1.7
183.11671	1.6
185.13231	1.1
189.12808	1.9
195.11667	1.7
199.14799	3.9
207.13841	1.7
217.15828	17.2
227.17984	1.8
237.16435	1.5
237.21199	1.3
245.18925	2.1
249.14900	1.4
255.17427	3.0
273.18478	20.0
291.19519	83.7
291.27005	2.3
292.19980	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
51.04353	2.5
53.03952	3.8
55.01880	16.9
55.05516	20.0
56.05022	8.3
57.03431	13.7
57.07058	6.2
58.06584	3.3
67.05506	30.0
68.05024	3.0
69.03410	4.5
69.07057	9.8
70.77837	9.0
71.04987	2.9
71.08238	5.6
71.08630	100.0
74.05480	2.8
74.06079	4.5
79.05494	56.5
81.03419	7.0
81.07063	28.4
83.04983	6.7
83.08602	7.1
85.06528	7.9
85.10136	3.2
88.07617	15.7
89.07977	5.8
91.05480	93.0
93.07038	75.9
95.04970	23.7
95.08599	16.2
97.06505	3.7
99.08093	62.4
105.07030	47.3
105.75877	2.9
107.04960	15.1
107.08591	15.1
109.06519	18.4
109.10167	4.7
115.05429	4.8
116.06325	3.3
117.07009	26.8
118.08627	4.2
119.08531	16.4
121.06529	15.0
121.10139	5.8
123.08023	3.7
125.09677	2.9
127.11193	4.7
128.06230	7.4
129.07010	34.9
131.08553	30.2
133.06509	9.6
133.10139	11.9
135.08049	32.7
141.09161	4.3
142.07779	6.5
143.08578	12.1
145.10129	13.5
147.08031	9.1
147.11691	8.0
149.09645	4.4
151.11171	14.0
155.08591	7.8
157.10126	27.8
159.08052	9.2
159.11696	3.7
161.09587	6.7
167.08492	2.9
171.11697	10.4
173.09682	9.3
175.11168	36.1
177.09167	3.0
177.12732	17.6
185.09705	5.3
187.14601	3.1
189.12787	25.6
199.11234	7.6
213.16463	4.3
217.15952	4.6
227.17781	4.3
243.25185	17.5
245.19038	5.6
255.17467	9.9
273.18481	32.7
291.19568	52.0
291.22559	5.3
291.27158	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
55.01873	26.3
55.05518	42.9
57.03434	58.0
63.46603	4.1
67.05507	44.1
69.03411	5.2
69.07067	14.8
69.80003	28.9
79.05486	66.3
81.07045	37.3
83.08604	9.1
85.06552	15.3
91.05476	62.9
93.07040	43.3
95.04970	6.6
95.08592	16.0
97.06513	5.8
97.10204	7.0
105.07025	53.6
107.04970	14.9
107.08590	30.8
109.06506	72.2
109.10169	6.0
115.05472	8.6
117.07027	41.3
118.37713	4.5
119.08592	23.7
119.64152	5.4
121.06510	10.3
121.10152	11.9
122.25599	5.5
125.09644	5.1
129.06999	20.4
131.08562	45.1
133.06505	5.9
133.10152	12.3
135.08054	100.0
143.08563	20.4
145.10121	33.0
147.08041	19.9
149.09618	17.0
157.10153	17.0
158.86034	5.2
159.11681	13.8
161.09628	18.6
163.11194	4.7
171.11627	7.2
173.43927	4.5
175.11212	5.3
185.09517	6.3
199.14822	11.9
201.12761	9.6
217.15852	52.3
255.17474	10.6
273.18518	54.6
291.19492	69.9
298.49841	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	291.195
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03923	2.1
53.94360	0.8
55.01624	1.2
55.01869	20.7
55.05505	11.6
55.10877	0.8
55.30873	0.8
56.05027	1.8
57.03430	17.0
57.07072	2.2
58.06587	2.1
65.03934	2.9
67.05498	24.9
69.03423	1.3
69.07049	3.2
69.73311	5.7
71.04987	1.3
74.06061	1.8
79.05486	41.0
81.03413	1.7
81.07050	14.4
83.04969	1.4
83.08604	3.0
85.06532	4.0
88.07625	11.1
89.07951	3.6
91.05475	28.2
93.07035	18.2
94.04165	1.0
95.04961	23.9
95.08593	8.7
97.06501	2.9
97.10177	1.5
105.07025	18.3
107.04948	13.0
107.08590	24.4
109.06511	63.8
109.10121	3.1
111.08062	1.9
115.05437	2.4
116.06260	1.1
117.06985	11.9
118.08651	1.3
119.06075	1.1
119.08509	5.5
121.06487	3.8
121.10141	5.2
122.08083	1.6
123.08091	2.4
128.06215	1.1
129.06992	8.8
130.07803	1.1
131.08562	13.8
133.06470	2.4
133.10130	5.1
135.08041	100.0
135.11635	5.8
140.75488	0.9
141.06940	1.5
143.08549	6.1
145.10112	10.7
147.07971	5.0
147.11671	1.3
149.09589	7.1
149.13261	1.9
157.10126	5.3
159.07982	1.4
159.11632	5.0
161.09616	7.1
163.11082	2.0
169.10046	1.2
171.11665	3.4
173.13306	1.6
175.11197	2.2
175.14929	1.0
177.12712	1.6
183.11742	2.0
185.13229	1.7
189.12865	1.2
195.11693	1.3
199.14825	3.8
217.15863	17.0
219.13908	1.8
227.17973	1.5
236.23260	1.1
243.25116	12.4
245.18852	2.4
255.17349	2.1
265.70102	1.2
273.18494	20.4
291.19531	38.0
291.27176	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	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03934	0.9
54.03838	0.7
55.01862	2.2
55.05506	9.5
56.96564	4.1
57.03436	1.0
57.07063	2.7
59.04997	3.5
67.05510	7.1
69.03426	2.7
69.07056	3.0
70.04082	1.4
70.85017	1.5
70.85390	1.5
71.04977	4.3
75.04906	0.8
77.03915	0.8
79.05489	11.6
81.03392	1.1
81.07053	10.7
81.30611	0.7
83.04970	3.2
83.08612	9.4
84.04517	0.9
85.02880	1.2
85.06523	2.3
91.05470	8.1
92.14001	0.7
93.07039	12.0
95.04955	8.1
95.08598	19.4
97.06532	5.9
105.07016	12.4
107.04948	15.2
107.05616	1.5
107.08585	11.5
109.06517	8.1
109.10136	3.8
111.08073	38.9
113.09624	2.1
117.07011	2.7
119.08581	8.9
121.06488	3.3
121.10138	6.0
122.07310	1.4
123.08059	35.4
123.11694	1.5
125.09604	2.8
127.11159	0.8
129.07033	2.0
131.08553	6.9
133.06464	3.4
133.10112	8.7
135.08057	6.7
135.11667	3.5
137.09587	2.4
141.05411	1.1
143.08574	1.8
145.10091	5.1
147.08083	3.7
147.11691	5.5
149.09602	8.2
149.13217	1.2
151.07530	100.0
152.07816	1.0
155.10652	1.8
156.09378	1.4
157.10141	5.2
159.08044	1.9
159.11703	1.8
161.09554	3.7
163.11116	3.8
165.09088	1.2
167.10715	1.5
169.12256	1.0
171.11632	4.1
171.43449	0.9
173.09633	1.8
173.13255	6.3
174.10315	1.1
175.11163	4.9
177.09100	2.3
179.10663	5.9
181.12225	2.4
182.10797	0.9
185.13234	0.9
185.72603	0.8
187.14903	1.0
189.12727	28.7
191.10582	1.5
191.14273	13.1
192.11441	6.7
193.12160	0.9
197.11714	12.8
197.13272	1.5
199.04095	0.7
205.12094	0.9
207.13791	64.1
211.13181	2.0
213.07916	2.5
213.16304	1.7
215.14276	3.4
217.12263	3.8
217.15764	1.0
219.59103	0.9
225.53082	0.9
231.09039	4.3
231.17393	2.3
233.15355	36.5
235.13290	2.1
245.18895	1.0
249.18434	1.5
251.09680	1.4
255.17378	1.8
269.10593	10.4
273.18512	6.9
287.11639	12.6
291.19516	47.6
292.12299	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03939	2.0
55.01855	4.3
55.05507	9.5
57.03422	3.7
57.07071	1.9
59.05008	1.7
64.25380	1.5
67.05502	11.0
68.08498	1.4
68.94807	1.4
69.03419	5.8
69.07066	17.6
70.84960	3.6
70.85291	1.7
71.04984	2.5
77.50520	1.3
77.60229	1.5
79.05482	16.0
80.06351	1.5
81.07053	18.0
81.60593	1.4
83.04969	6.4
83.05973	1.5
83.08612	6.0
85.06500	2.1
91.05467	16.3
93.07039	25.0
94.35276	1.6
95.04955	5.0
95.08595	13.7
97.06525	3.8
97.10167	3.3
105.07026	17.2
107.04944	6.9
107.08589	24.2
109.06497	32.3
109.10176	7.5
111.08087	3.2
111.11728	3.6
113.09673	1.8
117.06992	4.6
118.16109	1.6
119.08566	10.2
121.06536	2.1
121.10140	34.9
121.11004	2.2
123.08051	5.5
123.11660	4.8
125.09602	7.6
128.06212	1.8
129.06982	2.8
131.08563	7.2
133.06520	4.0
133.10110	2.5
135.08043	17.2
135.11690	2.1
137.09604	2.7
139.11147	2.6
143.08533	3.9
145.10104	6.0
147.08047	5.4
147.11652	6.0
149.09618	14.7
151.07510	5.9
157.10133	6.0
159.08057	2.9
159.11679	3.5
161.09666	2.2
161.13222	1.9
163.11143	2.7
167.10667	100.0
171.11678	2.7
173.09673	1.6
173.13266	7.3
175.11180	5.5
191.10693	8.4
191.14256	3.7
197.13286	2.4
213.16325	2.7
215.14302	5.5
217.12292	3.0
226.16251	1.6
233.15359	17.8
255.17404	4.6
273.18494	16.8
291.19467	29.4
291.26712	6.0
311.46326	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.03939	5.3
55.01875	12.0
55.05515	24.2
57.03441	29.4
57.07080	3.0
59.05006	1.9
65.03947	2.7
67.05183	2.0
67.05505	32.2
69.03417	7.8
69.07066	15.3
70.51536	6.5
71.04996	5.2
74.93394	1.9
79.05491	50.2
81.03406	5.5
81.07052	43.3
83.04975	8.7
83.08600	8.9
85.06532	7.2
91.04907	2.9
91.05479	47.8
93.07040	43.2
95.04945	13.0
95.08619	19.4
97.06517	3.0
97.10162	3.7
99.04437	2.4
99.08100	3.4
105.07022	35.4
107.04949	18.2
107.08585	26.8
107.49361	2.1
109.05795	3.1
109.06517	46.3
109.10160	7.8
111.08054	7.6
113.06007	2.2
115.05456	3.1
117.07024	18.0
119.04929	3.4
119.08570	23.0
121.06509	12.4
121.10188	9.6
123.04475	2.2
123.08054	17.1
125.09609	2.6
128.06224	4.3
129.07036	15.0
130.07788	3.5
131.08559	26.2
133.06499	6.0
133.10126	14.1
135.08052	60.3
135.11690	6.0
137.09601	3.5
141.06969	2.7
143.08568	9.2
145.10123	18.9
147.08046	13.6
147.11659	9.2
149.09625	19.9
151.07547	27.5
157.10112	11.8
159.08080	6.3
159.11697	10.5
161.09642	15.5
163.11154	5.9
169.10149	2.4
171.11757	5.5
173.13255	5.5
175.11186	4.5
177.09091	2.1
177.12740	3.7
183.11560	4.1
185.13225	3.5
187.11082	2.7
189.12743	11.7
189.16316	2.9
191.14293	2.5
197.11707	3.0
199.14854	5.2
201.12724	3.1
203.14319	2.0
207.13795	22.7
213.16449	3.0
213.88272	1.9
217.15889	24.1
219.13759	2.6
227.17966	3.2
230.05959	2.2
235.16960	3.9
245.18988	6.3
255.17404	6.0
273.18481	41.5
291.19534	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1699
Annotation	CL 22T
Peak:m/z	Relative Intensity
55.01865	1.2
55.05499	1.4
65.90749	0.5
70.06574	1.9
72.04510	22.7
79.05479	1.1
81.07024	0.7
88.03977	1.8
91.05476	1.3
93.07035	0.6
95.08617	0.6
100.11214	1.4
105.06963	0.8
107.02151	0.5
107.04946	2.1
107.08636	0.6
108.05336	0.9
109.06505	0.7
111.04430	0.7
117.05708	0.6
118.06535	14.9
118.07346	1.1
119.08560	0.7
120.08123	0.7
132.08104	6.9
133.08856	2.1
133.09991	0.6
134.09586	1.1
139.13068	0.7
141.11456	0.6
144.08072	6.4
146.09659	4.5
158.09648	2.1
160.11189	1.4
171.09187	1.2
172.11197	1.7
176.14334	93.9
177.14679	0.9
185.09961	0.8
187.08577	1.2
189.10211	2.2
202.15887	38.9
203.11786	0.9
203.16075	0.8
215.11838	0.8
217.13275	1.4
229.16978	5.2
245.16502	11.5
246.14821	2.4
247.18033	32.5
267.66714	0.6
273.15900	8.8
273.18619	1.0
274.14349	35.3
291.17001	100.0
292.17361	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
50.11195	1.2
53.03928	4.9
54.34380	1.4
55.01870	12.6
55.05260	1.5
55.05504	20.6
56.96558	1.3
57.03410	3.7
57.07064	4.1
57.96426	1.3
64.15983	1.5
65.03930	2.7
67.05499	22.1
69.03412	4.5
69.07060	8.5
71.04986	2.2
71.08612	1.8
79.05485	50.9
81.03373	4.0
81.07050	42.5
83.04960	5.7
83.08611	9.8
85.02881	1.5
85.06531	3.4
87.29073	1.3
87.47393	1.5
91.05469	32.4
93.07038	26.7
95.04947	18.4
95.08604	17.9
97.06512	2.6
97.10173	10.8
99.08071	2.3
99.17371	1.4
103.05448	2.9
105.03371	3.7
105.07012	22.4
107.04937	18.6
107.08586	19.9
109.06505	15.4
109.10136	5.5
111.04439	1.7
111.08051	3.2
116.06213	1.7
117.06207	1.8
117.07004	21.3
119.04916	5.1
119.08569	37.2
121.06487	19.5
121.10130	9.3
121.32822	1.3
123.08043	6.7
125.09611	9.7
128.06245	2.5
129.06989	10.9
131.04965	1.4
131.08556	16.4
133.06456	9.0
133.10129	5.7
135.08041	20.4
135.11713	3.9
137.09598	4.6
143.08549	9.7
145.10110	19.1
147.08022	22.0
147.11674	3.7
149.09641	9.4
151.07472	4.5
151.11221	2.2
157.10066	7.1
159.08072	3.2
159.11638	6.4
161.09647	9.9
161.13205	2.0
163.11200	5.4
165.09097	3.3
171.11697	4.4
173.13181	1.5
175.11110	4.2
177.12831	1.8
185.13239	4.0
189.11198	4.5
193.12213	3.7
195.11671	2.3
199.11166	2.4
199.14876	1.9
207.13733	4.5
213.12688	1.9
217.15901	3.8
223.13336	2.8
227.17958	2.2
231.13701	2.1
233.15321	1.7
245.19058	5.7
249.14819	12.2
255.17387	4.0
263.20316	1.6
273.18457	36.4
291.19510	100.0
292.19849	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0975
Annotation	N2-Malonyl-D-tryptophan
Peak:m/z	Relative Intensity
51.20190	0.9
51.20495	1.0
53.03001	0.9
53.95901	0.9
55.01875	1.2
55.05513	1.4
56.96563	2.6
57.03442	2.1
57.04582	1.1
59.02750	1.0
59.91013	1.0
67.05502	2.9
69.07083	1.1
70.06594	15.2
71.28713	2.6
72.08131	1.9
72.60609	1.0
79.05506	1.7
81.07043	2.1
84.08135	3.3
86.09668	2.6
87.00797	1.2
88.04002	3.7
91.05467	2.5
93.07008	1.7
95.04989	1.8
95.08566	2.1
98.12748	1.1
103.05453	1.4
104.10699	1.5
105.07013	2.2
107.04949	3.0
115.05456	5.6
116.07059	2.3
116.98589	1.7
117.05746	2.6
118.06529	13.1
119.08579	1.6
119.92033	1.0
120.08112	2.0
121.35891	1.1
122.99544	1.1
130.06525	100.0
131.08545	2.2
132.08092	39.4
142.06541	12.6
143.07315	2.9
144.08078	6.7
145.10136	1.6
146.06003	19.0
147.07951	1.2
154.06506	2.3
156.02901	1.6
156.08070	3.2
157.07622	7.5
158.05948	3.2
158.08374	4.3
159.09177	89.1
160.07587	8.9
167.06046	3.2
169.07610	4.4
170.06015	38.9
172.07567	1.7
172.49396	1.2
181.07611	3.6
183.09137	5.6
184.07571	18.2
185.07095	43.2
187.08702	3.8
188.07071	41.6
190.96254	1.4
199.08714	2.5
200.07091	10.1
201.10223	13.2
205.09793	1.7
209.07056	1.3
227.08147	50.0
229.09703	2.6
231.07683	3.0
245.09213	68.0
246.09422	2.4
255.07530	3.1
273.08688	8.0
273.18524	1.8
291.09860	1.9
291.12955	4.9
291.19611	3.4
292.12964	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2112
Annotation	Dyclonine
Peak:m/z	Relative Intensity
51.95545	0.3
55.01849	0.5
55.05501	2.5
56.96541	0.7
57.03416	1.1
57.07062	0.5
59.04986	0.7
61.02923	0.4
67.05503	1.6
68.99785	0.4
69.03413	0.7
69.07069	5.2
69.62835	2.4
70.04072	9.0
70.06594	0.6
73.06547	2.5
74.57753	0.3
79.05483	1.8
79.26328	0.4
81.03391	0.6
81.07043	2.2
83.04947	0.4
83.08590	1.0
84.04498	9.0
85.02880	1.6
85.06498	0.3
87.00809	0.8
91.05464	1.9
93.07053	2.2
95.04942	1.0
95.08601	1.8
97.02875	0.4
97.06501	0.4
97.10149	0.6
98.97552	1.1
103.03947	1.5
105.01798	0.5
105.07040	1.7
107.04937	4.2
107.08566	1.1
109.02849	0.4
109.06503	1.1
109.10137	1.0
110.99893	0.3
116.67355	0.3
116.98630	0.6
117.07007	1.0
118.06533	18.3
119.07365	0.4
119.08566	1.9
121.06474	1.6
121.10107	1.0
123.08060	0.4
123.11680	0.4
126.05495	2.2
127.03848	0.4
129.06931	0.4
131.08536	1.3
132.08073	6.2
133.06451	0.6
133.08855	3.1
133.09996	0.5
134.09616	1.0
134.99574	0.5
135.08069	1.6
143.08519	0.5
145.10115	1.1
146.09639	5.2
147.02798	0.3
147.08009	0.9
147.10387	0.4
147.11649	0.7
149.09601	1.0
149.13321	0.3
153.00658	0.3
159.09198	0.4
159.11572	0.5
160.11148	0.5
161.09637	0.6
163.11148	0.4
168.06578	0.9
170.06013	0.3
175.11066	0.5
176.14331	80.7
177.14651	1.1
189.04088	0.4
189.12738	0.4
192.93718	1.4
194.93318	0.5
216.13741	0.4
230.11748	1.1
234.15001	0.5
255.17474	0.4
267.00275	0.4
272.12637	0.4
272.17032	0.4
273.18362	1.7
285.01062	0.4
290.18790	4.2
290.21127	100.0
291.19427	3.3
291.21805	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	9.1
56.05034	7.1
56.96571	18.9
57.03430	4.3
58.06599	13.6
60.04526	18.6
62.06080	12.6
67.05506	14.7
68.05037	6.3
69.07075	10.9
70.02944	4.9
70.06591	100.0
71.04991	5.2
71.58656	5.3
72.04517	9.1
72.08151	25.9
74.06094	6.9
76.03985	5.1
79.05501	9.7
79.22536	4.5
81.03436	5.2
81.07067	12.1
82.06562	6.3
82.43744	4.1
83.08649	4.6
84.04539	22.7
84.04956	6.0
84.08151	51.9
84.90311	4.7
86.00686	6.1
86.06065	19.3
86.09709	38.1
87.05582	10.9
88.03997	6.3
91.05482	16.0
93.07061	5.7
95.04984	4.7
95.08594	5.7
98.06055	6.8
98.98476	6.3
100.07623	6.8
103.05475	13.6
104.07118	34.2
105.07028	7.3
107.04963	16.0
107.08609	8.8
108.08097	5.0
110.07150	13.3
112.08730	6.2
112.11253	5.4
115.08708	9.3
116.07110	18.9
116.98624	8.4
120.08109	20.0
129.10245	19.5
130.06577	14.5
131.04939	15.9
132.05334	6.5
133.06123	5.7
134.99657	15.0
136.07535	5.1
145.04980	6.2
146.99672	13.1
147.04425	7.0
159.09138	6.2
161.01225	5.8
161.05748	5.4
177.00577	7.0
184.07364	15.1
189.00714	6.4
210.14912	32.7
211.13231	7.4
228.15996	49.0
237.02841	11.2
245.09465	7.8
246.17035	47.2
254.17482	8.6
272.18582	27.8
290.14575	11.4
290.19492	8.3
291.10077	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	290.2112
Annotation	Dyclonine
Peak:m/z	Relative Intensity
51.14236	0.3
55.01870	1.2
55.05502	2.0
56.05005	0.2
56.96537	0.9
57.03411	0.7
57.07068	1.6
59.04986	0.3
59.16850	0.2
67.05494	1.5
69.03402	0.5
69.07054	3.8
70.04072	3.2
70.06583	2.7
71.04983	0.4
71.59785	0.3
73.02910	3.5
73.06548	1.3
74.64156	0.2
79.05482	1.6
81.03399	0.3
81.07038	2.4
83.04948	0.4
83.08607	0.6
84.04497	2.9
84.08121	0.3
85.02883	1.0
85.10159	0.3
87.81335	0.2
88.07626	2.3
91.05469	1.7
93.07050	1.7
95.04940	1.0
95.08599	1.3
97.02893	0.4
97.06503	0.6
97.10122	0.4
98.97560	0.7
103.03904	0.6
105.07006	1.4
106.06499	0.3
106.08627	0.3
107.04960	1.5
107.08606	1.4
109.02884	0.3
109.06498	0.8
109.10134	0.9
111.08057	0.3
114.09145	0.7
116.98592	0.9
117.06991	1.0
118.06529	11.5
119.07307	0.5
119.08569	1.5
120.08137	0.3
120.08904	0.3
121.06489	1.0
121.10124	0.7
123.08096	0.3
125.09634	0.5
126.05488	1.0
129.06981	0.5
131.08548	0.8
132.07159	0.4
132.08073	4.6
132.10179	3.5
133.06493	0.5
133.08847	1.8
133.10065	0.3
134.09616	1.0
134.99622	0.7
135.08012	1.7
135.11635	0.5
137.09669	0.4
143.08514	0.3
145.10092	0.6
146.09612	3.5
147.08028	0.8
147.11600	0.3
149.09633	0.5
150.11232	2.9
150.31958	0.3
150.99101	0.3
157.10065	0.4
159.11736	0.5
160.08623	0.2
160.11153	0.3
161.01160	0.4
161.09604	0.4
169.00185	0.3
173.13168	0.3
175.11284	0.3
176.14333	46.1
177.00620	0.4
177.12811	0.3
177.14682	1.0
189.03912	0.3
193.00114	0.3
202.15918	0.7
214.21672	0.5
217.15939	0.3
228.23291	0.5
232.13409	0.9
245.18993	0.5
246.14864	1.6
246.24275	0.9
260.16394	0.8
267.00192	0.9
273.18433	1.6
285.01309	0.3
290.21124	100.0
290.26419	17.0
291.19269	2.7
291.21561	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	290.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.3
56.05027	5.9
57.20243	1.0
58.06598	1.1
60.04515	1.0
62.06089	12.6
67.05507	5.5
67.32566	0.9
69.07063	4.2
70.06580	6.9
70.82979	2.1
70.83310	1.2
71.04990	3.3
72.04519	9.7
72.08147	2.1
74.06078	2.0
79.05488	5.7
80.05013	2.9
81.03399	2.0
81.07043	8.3
82.06569	2.0
83.04987	1.4
83.08646	1.5
84.04491	3.0
85.05286	1.3
86.06065	2.7
86.09721	1.5
88.07635	1.5
91.05472	2.2
91.27280	1.1
93.07038	6.3
95.08607	5.0
96.08109	1.9
98.06031	6.0
99.04495	1.1
100.04030	1.3
100.07628	3.0
105.07059	1.0
107.04964	1.5
107.08601	3.0
109.06550	1.0
109.10139	1.5
112.07585	1.7
114.05463	1.2
116.07117	1.3
121.10143	1.9
123.08046	1.4
129.46829	0.9
131.08577	1.2
134.99648	0.9
138.12796	1.4
149.09583	2.7
164.14378	1.4
182.15395	3.7
192.13797	2.6
193.12260	2.0
210.14874	42.2
211.13271	4.6
228.15938	63.2
244.19183	1.9
246.16988	100.0
247.17276	1.3
254.17473	3.0
272.18539	34.5
290.19565	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	290.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	8.6
57.03431	1.0
58.06593	2.7
60.05647	11.2
61.02919	0.8
64.14687	0.6
69.03430	1.7
70.02951	4.9
70.06587	100.0
71.04984	2.1
71.06912	0.8
71.58689	0.8
72.08153	4.2
73.02918	3.6
74.02436	4.0
74.97602	1.2
84.04525	1.0
84.08123	0.9
85.02911	2.7
86.06035	0.8
87.05586	32.3
88.03985	7.1
97.02884	1.5
97.07651	1.3
98.02423	2.1
98.03528	3.6
98.06028	0.9
98.97575	10.9
99.00816	1.5
101.00938	0.8
107.04963	2.8
110.97572	1.2
112.05078	2.4
112.07576	0.7
112.08721	4.6
113.07121	5.7
114.05523	1.8
115.05054	2.5
115.08681	8.3
116.03448	3.8
116.07086	34.5
116.98614	6.3
118.98235	0.8
119.01864	3.6
120.02013	1.6
121.01629	1.0
127.03892	0.9
128.02330	1.6
128.98593	2.0
130.06122	1.7
130.08759	0.8
130.09726	3.8
131.01872	1.1
131.04605	0.8
133.03464	2.1
133.06078	13.8
133.09727	10.9
134.04536	1.3
134.99651	2.7
136.95378	0.7
140.04518	2.6
141.06552	0.8
143.00162	1.5
145.03456	1.0
146.99638	1.9
149.02888	1.1
149.27173	0.6
150.99144	3.9
155.02817	1.1
157.07199	4.2
158.05606	8.8
158.09225	7.6
158.99628	1.9
159.07626	8.9
161.01225	2.1
161.02881	1.6
161.09225	1.0
162.03050	0.8
163.02686	1.1
169.00226	1.5
170.03394	1.3
173.02873	0.7
174.99152	3.5
175.08237	4.0
175.11900	13.3
176.06673	2.9
177.00717	2.6
184.13467	1.4
189.00703	1.5
191.02284	1.1
191.03902	4.7
191.54076	0.9
193.00218	6.7
200.04376	6.8
200.54669	1.0
201.00662	0.8
203.25925	0.7
209.05058	1.2
210.08751	1.6
211.01300	1.1
211.55272	0.8
224.99033	0.8
228.09856	1.9
231.03615	0.6
237.02820	1.2
245.12396	2.4
246.10922	1.0
248.99229	1.7
251.00789	0.9
267.00211	5.8
272.13367	5.4
273.11911	7.3
285.01288	2.6
290.01770	1.0
290.14575	56.8
291.08249	1.0
291.12875	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	290.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	3.0
56.96561	69.4
58.06572	3.3
60.04502	3.7
60.05630	7.0
62.42737	2.1
67.45524	2.4
69.90411	2.3
70.02948	2.6
70.06593	41.0
71.10854	5.7
71.11194	5.0
72.08142	6.4
74.97596	23.3
75.05140	2.6
81.03413	4.3
81.07082	4.1
84.04477	6.5
84.08147	14.8
86.06058	3.2
86.09691	8.2
86.97614	3.3
87.04463	4.1
87.05572	9.3
92.98633	3.9
98.97580	62.6
102.05471	3.4
104.94830	3.4
105.24678	2.7
106.96362	2.8
107.04962	7.6
111.05546	3.4
112.07590	5.6
114.04681	2.4
115.08667	3.1
115.96455	2.8
116.07107	11.2
116.97236	10.9
116.98611	70.9
117.98006	4.9
120.08081	5.1
123.04458	13.0
124.07607	2.8
128.04237	4.4
132.98083	9.0
133.97467	4.5
134.99661	61.9
136.07591	4.7
143.00163	10.8
143.11731	3.6
145.97426	5.8
146.99591	4.5
149.94565	7.9
150.05507	13.9
150.99139	40.7
153.00766	8.3
157.97458	5.2
158.09274	3.6
158.98370	3.4
158.99654	9.9
159.07663	4.6
161.01218	30.6
162.99094	3.6
168.06609	5.9
169.00194	31.2
170.56871	2.9
174.99124	19.8
175.11896	6.8
175.98595	2.7
176.96904	10.6
177.00693	29.2
179.02202	4.8
184.13342	4.1
190.98586	3.5
193.00197	25.5
195.09402	3.0
206.98126	11.8
211.01218	5.0
220.99551	3.0
224.99199	7.5
230.98109	4.3
239.00735	5.3
248.99171	24.4
252.30779	2.9
267.00232	100.0
272.00894	4.0
272.11475	3.5
272.14548	3.3
285.01273	51.1
289.98340	2.8
290.01868	8.8
290.09760	3.0
290.14621	12.6
308.02625	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.3
55.01860	1.5
55.05510	3.4
56.05025	3.6
56.96559	3.3
57.03436	3.3
60.04515	2.4
60.44990	0.7
61.02919	2.7
62.06081	5.7
65.00700	0.7
65.03915	1.0
67.05508	2.5
68.05028	1.3
68.99784	4.3
69.03423	2.2
69.06722	0.9
69.07054	3.9
69.98685	4.2
70.02946	0.9
70.06580	5.6
71.04996	1.8
72.04504	4.2
72.08159	1.7
73.02911	2.4
74.06079	1.5
74.97597	0.8
79.05486	3.8
80.05006	3.0
81.03408	4.3
81.07057	5.4
82.06574	1.8
83.04990	1.1
84.04498	100.0
84.08144	5.8
85.02907	17.0
85.04826	1.1
86.06054	2.3
86.09702	11.9
87.00832	6.4
87.05580	0.9
87.10036	1.7
91.05461	4.6
93.07034	2.7
95.04981	1.2
95.06096	2.4
95.08603	3.3
96.04492	2.3
96.08147	0.8
97.02895	4.9
98.06044	7.9
98.97543	4.1
99.04444	1.7
100.03956	1.5
100.07613	2.1
100.11285	0.9
103.03944	13.6
105.01843	2.9
105.02477	0.8
105.07028	2.3
107.04937	7.5
107.08576	2.1
108.04488	2.5
109.02863	3.9
112.07539	1.3
112.08713	0.9
114.05515	1.1
116.07095	1.1
116.10743	1.5
116.98611	4.2
118.06541	0.8
120.02104	1.3
120.08096	2.2
121.06518	3.2
121.10163	1.1
122.06035	0.8
123.08075	1.0
124.75787	0.8
126.05511	29.4
127.03928	3.2
129.01833	5.7
129.10240	4.7
130.06511	1.6
134.99666	2.3
135.04398	2.0
136.06276	1.1
146.05997	2.0
147.02885	3.8
147.11739	1.0
149.09671	1.2
150.99214	1.1
156.06581	1.5
161.01274	1.5
161.66333	0.9
168.06535	9.2
171.02907	1.9
174.99094	1.0
182.15462	1.5
184.07610	1.1
184.13356	2.1
186.07611	3.2
186.12340	1.0
189.03912	5.3
192.13824	1.7
204.08733	2.0
210.14876	20.6
211.13248	2.1
212.05563	1.0
227.08203	1.0
228.13713	1.6
228.15930	29.5
244.09895	0.9
245.09018	0.9
246.16991	43.8
248.99205	1.2
254.17584	1.4
263.35907	0.9
267.00226	4.1
272.07678	3.3
272.18561	14.5
285.01270	1.9
290.08621	14.4
290.14194	3.5
290.17072	1.5
290.19775	1.6
290.22388	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2523
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
52.08808	3.3
52.11527	3.6
53.03926	4.9
54.23376	4.2
55.05513	36.8
57.03430	6.8
57.07065	12.5
67.05497	32.4
69.07062	43.0
69.52869	28.0
70.06583	5.4
71.04718	3.2
71.04990	35.6
71.08624	4.9
79.05491	35.7
81.07059	93.0
83.08608	24.0
88.07634	5.1
91.05480	36.8
93.07038	80.1
95.04974	9.8
95.08607	81.0
97.10171	11.4
99.08073	14.6
105.07027	66.4
107.04922	4.7
107.07867	5.6
107.08589	88.3
109.06481	6.9
109.10155	70.6
117.07014	13.9
119.08590	67.8
121.06515	4.6
121.10130	73.8
123.08070	4.4
123.11721	27.7
127.11195	29.5
131.08540	13.2
133.10112	52.9
135.08034	8.1
135.11688	40.2
137.09648	7.9
145.10080	30.8
147.08060	5.0
147.11676	48.9
149.12175	6.6
149.13264	73.4
153.12750	4.9
159.08084	5.6
159.11691	25.0
161.13214	21.5
163.14789	26.4
165.09584	3.4
173.13231	23.8
175.14810	15.7
177.16371	4.0
187.14815	25.8
189.16350	7.6
191.17915	13.5
193.15768	4.8
201.16371	21.2
203.17949	100.0
215.17926	16.5
228.23297	10.6
253.15714	4.2
271.16931	6.0
271.24246	46.1
289.18057	36.4
289.21170	4.5
289.21884	5.7
289.25259	79.5
290.26892	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2525
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
53.03926	3.6
53.53604	1.6
55.01853	5.1
55.05266	2.2
55.05508	35.2
56.96548	2.0
57.03419	7.8
57.07062	7.0
59.04976	2.9
65.03926	3.8
67.05170	2.3
67.05499	36.9
69.03394	3.1
69.06721	2.7
69.07067	43.2
70.04045	6.7
71.04991	27.9
71.08620	2.6
71.33367	2.8
71.33701	2.4
74.82671	1.6
79.05067	2.2
79.05489	33.9
81.03400	2.9
81.07051	96.9
83.04958	7.0
83.08611	20.8
84.04472	6.7
85.02895	1.9
85.06523	4.3
91.05474	42.3
93.07034	75.5
93.07619	4.2
95.04939	8.3
95.08602	73.7
97.06499	4.4
97.10160	14.1
99.04416	2.4
99.08083	7.2
103.05424	3.1
105.07019	57.9
107.04939	13.9
107.08587	86.9
108.05255	6.2
108.08864	1.8
109.06535	11.1
109.10150	72.3
111.04453	1.6
111.08082	3.1
111.11726	4.6
113.09612	4.7
115.05453	2.2
116.98620	2.2
117.06994	15.0
119.08570	71.9
121.06496	12.4
121.10136	62.1
123.08056	5.2
123.11699	24.9
123.24612	1.9
125.01543	2.0
125.09607	7.7
126.05515	2.8
127.03903	1.8
127.11184	31.9
128.06227	3.2
129.06969	5.5
131.08557	20.8
133.06470	3.5
133.10117	48.7
135.08032	4.9
135.11681	34.0
135.76999	1.8
137.05907	2.8
137.09627	3.9
137.13255	3.9
139.11151	2.3
141.12746	2.0
143.08510	5.3
145.06511	8.7
145.10103	26.2
147.08041	8.5
147.11685	51.6
149.05942	1.9
149.09657	2.3
149.13251	60.7
151.11119	2.8
152.36046	1.8
152.67714	1.6
153.12738	2.5
155.08522	3.0
157.10085	5.2
159.05823	2.1
159.08008	18.3
159.11684	28.5
161.09599	6.3
161.13251	28.7
163.07545	8.3
163.11136	3.6
163.14822	23.8
165.12743	3.5
169.10147	2.1
171.11679	3.4
173.09602	4.1
173.13237	25.4
174.06816	2.4
175.07724	1.8
175.11208	2.0
175.14818	16.4
177.16348	6.3
179.14238	6.1
181.39682	1.7
182.11633	1.6
183.11922	4.2
185.09550	1.8
185.13234	2.9
187.14813	27.4
189.16409	8.8
191.17931	11.1
193.15829	3.0
197.13184	2.3
201.16403	14.8
202.10031	1.8
203.17938	100.0
215.14294	1.8
215.17921	15.5
217.19453	7.6
219.17296	2.3
221.04980	5.3
229.15773	2.8
229.19579	3.3
230.13028	2.2
231.13832	2.0
231.21068	2.7
233.15262	4.8
233.18900	3.2
243.17422	4.3
253.15804	2.8
257.18988	2.7
261.18344	3.6
261.25842	2.3
266.13028	6.4
271.17029	10.8
271.24179	50.0
275.05762	2.0
284.14160	14.7
285.13666	4.2
289.14902	2.7
289.17944	50.1
289.21585	10.5
289.25189	88.4
290.14249	2.3
290.18149	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	289.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.3
55.01873	3.0
55.05508	26.0
56.96560	2.5
57.03440	4.5
57.07064	4.9
59.04988	6.8
61.69125	1.8
67.05499	21.7
69.03428	3.2
69.07065	100.0
71.04984	2.2
71.41903	3.0
79.05490	30.7
81.07056	79.6
83.04972	6.4
83.08637	11.0
84.04504	6.5
85.02913	3.0
85.06562	2.1
91.05479	22.7
93.07043	50.1
95.04969	5.1
95.08601	45.2
97.06531	10.3
98.97612	2.1
99.08073	3.0
105.07027	30.2
107.04967	7.5
107.08590	49.8
109.06512	7.5
109.10143	33.6
111.08095	3.1
111.11713	21.3
115.05386	2.3
117.07018	6.6
119.01900	2.4
119.08572	37.3
121.06534	5.1
121.10146	27.4
123.08088	3.2
123.11702	19.6
127.11201	2.6
131.08566	8.4
133.06468	2.1
133.10123	17.0
134.99727	3.4
135.08089	6.0
135.11688	55.3
137.13249	4.8
139.11150	9.5
141.07034	2.2
143.08566	3.6
145.06526	2.9
145.10123	12.5
147.08070	3.9
147.11665	10.1
149.09622	3.5
149.13266	26.3
155.08554	2.5
157.10147	4.6
159.08075	5.9
159.11700	16.2
161.09645	2.7
161.13225	10.3
163.07507	2.5
163.14813	6.8
165.12737	3.9
171.11646	3.5
173.09578	3.7
173.13287	6.5
175.14830	4.4
177.16438	6.2
187.14838	5.4
189.16359	5.6
190.06134	2.3
191.17923	4.6
201.16394	5.9
203.17937	3.6
205.15712	2.4
211.14879	3.0
215.17963	7.3
229.15834	3.6
231.13907	6.5
247.16898	4.9
268.11304	2.0
271.16965	7.6
271.24243	14.7
272.20038	5.4
289.18015	35.9
289.25275	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2524
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
52.33485	2.1
53.03939	4.5
55.01862	3.6
55.05506	34.8
56.08156	2.2
56.96523	2.2
57.03419	10.3
57.07077	4.1
59.04992	2.8
65.03925	3.3
67.05505	36.2
69.03398	3.0
69.07065	39.9
70.04057	7.3
71.04696	2.1
71.04990	23.6
71.33955	4.1
79.05488	37.1
81.03407	4.4
81.07056	97.6
83.04966	5.2
83.08612	17.9
84.04487	9.2
85.06551	3.6
91.05473	43.3
92.44801	2.4
93.07035	71.5
93.07618	3.4
95.04945	8.9
95.08602	74.8
97.06503	5.8
97.10151	12.3
98.20768	2.6
99.08084	8.2
100.57917	2.3
103.03970	2.5
105.07025	70.4
107.04945	13.7
107.07851	4.9
107.08586	82.0
109.06511	8.1
109.10143	78.6
111.11666	5.2
113.09630	5.7
115.05454	3.0
117.07010	13.5
119.08574	64.3
121.06473	7.4
121.10139	60.1
123.11684	23.5
125.09645	5.7
126.05491	2.8
127.11183	31.8
128.06227	3.8
129.07016	5.8
131.08563	16.9
133.06500	3.4
133.10115	42.4
135.08009	10.1
135.11684	36.9
137.09595	3.6
137.13257	5.2
141.12752	2.9
143.08553	4.5
145.06442	8.8
145.10120	28.6
147.08008	9.6
147.11679	53.3
149.13249	63.6
151.11090	2.9
157.07620	2.6
157.10135	5.2
159.08057	17.4
159.11693	25.1
161.09564	4.6
161.13234	28.3
163.07516	7.4
163.14825	23.7
169.10147	3.7
173.09622	4.6
173.13284	21.0
175.14828	16.5
177.16388	9.2
179.14253	4.3
182.80931	2.5
187.14804	25.3
189.16357	6.4
191.17926	11.0
193.15793	3.1
201.16348	16.1
202.09927	3.2
203.16011	5.0
203.17943	100.0
204.18172	2.6
205.15991	3.0
215.17946	13.3
217.19511	6.9
221.04869	3.1
229.19466	4.5
233.15318	5.8
247.16991	2.4
257.18967	3.1
261.18439	2.6
266.13013	9.1
267.12769	3.1
271.16821	10.1
271.24200	52.9
283.13922	2.8
284.14047	16.3
285.13791	5.0
289.18158	41.7
289.21628	13.2
289.25183	77.6
290.14346	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	289.2525
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03953	2.3
55.01873	3.0
55.05508	26.0
56.96560	2.5
57.03440	4.5
57.07064	4.9
59.04988	6.8
61.69125	1.8
67.05499	21.7
69.03428	3.2
69.07065	100.0
71.04984	2.2
71.41903	3.0
79.05490	30.7
81.07056	79.6
83.04972	6.4
83.08637	11.0
84.04504	6.5
85.02913	3.0
85.06562	2.1
91.05479	22.7
93.07043	50.1
95.04969	5.1
95.08601	45.2
97.06531	10.3
98.97612	2.1
99.08073	3.0
105.07027	30.2
107.04967	7.5
107.08590	49.8
109.06512	7.5
109.10143	33.6
111.08095	3.1
111.11713	21.3
115.05386	2.3
117.07018	6.6
119.01900	2.4
119.08572	37.3
121.06534	5.1
121.10146	27.4
123.08088	3.2
123.11702	19.6
127.11201	2.6
131.08566	8.4
133.06468	2.1
133.10123	17.0
134.99727	3.4
135.08089	6.0
135.11688	55.3
137.13249	4.8
139.11150	9.5
141.07034	2.2
143.08566	3.6
145.06526	2.9
145.10123	12.5
147.08070	3.9
147.11665	10.1
149.09622	3.5
149.13266	26.3
155.08554	2.5
157.10147	4.6
159.08075	5.9
159.11700	16.2
161.09645	2.7
161.13225	10.3
163.07507	2.5
163.14813	6.8
165.12737	3.9
171.11646	3.5
173.09578	3.7
173.13287	6.5
175.14830	4.4
177.16438	6.2
187.14838	5.4
189.16359	5.6
190.06134	2.3
191.17923	4.6
201.16394	5.9
203.17937	3.6
205.15712	2.4
211.14879	3.0
215.17963	7.3
229.15834	3.6
231.13907	6.5
247.16898	4.9
268.11304	2.0
271.16965	7.6
271.24243	14.7
272.20038	5.4
289.18015	35.9
289.25275	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.7
55.05515	28.4
57.07083	2.3
59.05004	3.1
65.03915	2.0
67.05509	32.5
69.07073	22.1
70.06589	3.3
71.06931	1.8
71.59230	2.5
73.06553	2.0
75.82140	1.6
79.05494	26.7
81.07059	32.8
83.08621	14.6
85.06529	5.0
85.34255	1.9
88.07632	6.1
89.07962	1.9
91.05481	68.2
93.07047	32.4
95.04986	1.8
95.08614	19.0
97.06477	2.0
97.10152	3.7
99.08063	2.0
105.07033	100.0
106.07349	2.5
106.08644	2.1
107.08579	15.4
107.73386	1.9
109.10154	10.3
111.08076	2.8
117.07022	25.5
119.08588	70.6
120.08925	3.2
121.06495	3.2
121.10138	7.3
123.08050	2.5
125.09573	2.5
128.06215	2.2
129.07002	6.5
129.74098	1.7
131.08572	26.4
133.10136	52.9
135.08043	4.9
135.11687	5.4
137.09590	2.1
142.07645	1.9
143.08565	4.6
145.10117	38.9
147.08063	1.9
147.10495	2.8
147.11690	53.6
149.09605	5.2
155.08540	3.7
157.10156	10.8
159.11703	37.6
161.09621	5.6
161.13272	16.8
169.10149	7.0
171.11681	8.9
173.13313	14.5
175.14832	3.0
183.11658	7.0
185.13306	3.3
187.14795	2.0
197.13290	5.5
201.12724	3.5
211.14822	3.8
213.16400	3.1
215.17944	4.0
229.15884	3.4
229.19362	2.1
233.15118	3.0
239.17964	13.5
249.70265	1.7
257.19028	26.6
271.28107	2.4
289.18091	11.0
289.21594	99.5
289.29227	29.4
290.21915	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	289.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.3
54.17683	1.3
55.01871	1.7
55.05263	1.7
55.05511	23.1
56.96555	1.4
57.03422	1.7
57.07069	2.2
59.04991	2.5
65.03931	2.3
67.05500	24.2
67.95785	1.3
69.07069	18.2
70.06585	2.8
73.06544	1.8
78.75861	1.4
79.05492	22.2
81.07058	30.0
83.08621	14.4
85.06540	3.7
86.09666	1.4
88.07611	2.8
91.05480	64.6
93.07050	22.6
95.04971	3.9
95.08611	20.5
97.06509	2.7
97.10165	4.6
103.05443	2.1
104.32413	1.4
105.07031	100.0
107.08584	15.2
109.06503	2.6
109.10173	9.1
109.10840	1.3
117.07022	17.2
118.07868	1.7
119.08581	69.5
121.06533	1.9
121.10158	6.9
123.08047	2.6
123.11700	1.5
125.09623	2.4
129.06947	6.6
131.08572	20.8
133.10127	50.6
135.04343	1.8
135.08046	2.2
135.11665	3.8
141.07002	1.9
142.07707	1.4
143.08548	5.2
145.10118	39.7
147.08040	1.7
147.11688	53.3
149.09621	4.2
151.07594	1.7
155.08511	2.3
157.10130	8.8
159.08017	1.8
159.11693	44.5
161.09648	3.9
161.13251	14.8
163.11218	3.2
169.10114	5.3
171.11684	5.2
173.09628	2.4
173.13283	12.3
175.11174	2.3
175.14830	2.3
183.11681	5.4
185.13330	2.9
187.11163	1.5
187.14761	2.1
197.13260	4.9
207.13739	1.9
211.14847	2.1
213.16306	1.8
215.14294	1.7
215.17937	2.6
229.19568	3.5
239.17928	14.0
257.19000	29.6
258.19284	1.4
267.09082	1.7
285.10162	1.8
289.18176	7.1
289.21597	98.2
289.29218	18.7
290.22012	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	289.216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02027	0.4
51.96252	0.5
53.03950	1.2
55.01870	1.0
55.05509	3.4
55.81063	0.5
56.96552	0.8
57.03426	1.2
57.07065	0.6
57.37184	0.5
67.05505	6.6
69.07074	3.5
69.80009	1.2
69.80414	2.8
70.06591	0.6
79.05492	6.1
81.07059	8.0
83.04942	0.9
83.08611	3.5
85.06544	1.2
88.07613	0.8
91.05479	9.7
93.07030	4.9
95.04973	2.4
95.08614	7.0
97.06535	0.7
98.21526	0.5
103.05467	0.8
105.06393	1.0
105.07034	12.5
107.04952	100.0
107.08560	3.0
108.05301	1.5
109.06541	0.6
109.10157	2.0
115.05405	0.8
117.07014	3.6
119.08580	15.6
121.06504	1.6
121.10136	1.5
123.08131	0.9
129.07005	1.1
131.08571	3.6
133.06487	0.7
133.10121	5.8
135.08049	1.1
135.11691	1.1
143.08588	1.0
145.06425	0.9
145.10089	5.1
147.08014	1.1
147.11679	7.2
155.08578	0.7
157.10164	2.2
159.08063	1.3
159.11679	5.4
161.09619	1.3
161.13251	3.1
162.23260	0.5
169.10045	1.0
171.11731	1.3
172.95262	1.0
173.09595	1.5
173.13269	2.1
175.11263	0.6
177.12778	3.5
183.11710	1.0
183.13821	3.3
187.11223	1.1
190.96295	0.9
197.13150	0.6
204.00266	0.5
215.17917	0.7
239.17957	2.8
243.17461	1.4
257.18909	3.6
271.17001	1.7
289.18011	7.7
289.21625	14.7
289.24969	1.1
289.29059	4.5
289.31699	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.5
55.05513	25.9
62.56838	2.3
67.05505	27.9
69.07070	19.9
71.04977	3.6
79.05489	19.1
81.07050	23.8
83.04972	2.7
83.08633	12.9
85.06533	4.0
91.05482	59.2
93.07049	21.6
94.32993	2.3
95.04969	5.1
95.08607	29.6
95.34454	2.4
98.21490	8.6
103.05460	2.7
105.07035	86.6
106.19526	2.2
107.08567	12.6
109.06470	2.9
109.10158	6.6
111.08089	2.7
115.07558	2.9
117.07029	20.6
119.08579	70.0
121.06511	4.7
121.10143	7.7
123.08101	2.8
127.73029	2.4
129.07008	6.6
131.08588	20.1
131.29181	2.3
133.10138	38.6
135.08038	3.8
135.11623	4.1
143.08566	6.3
145.10153	27.6
147.11691	36.4
149.09615	5.5
155.08585	4.1
157.10123	8.6
159.11691	32.6
161.13243	23.3
163.11151	4.3
169.10110	4.4
170.97688	2.2
171.11681	6.8
173.13260	18.8
175.11232	3.4
175.14833	2.9
177.12791	4.0
183.11681	7.9
187.14789	2.9
197.13297	3.3
211.14693	2.8
213.16360	2.3
215.17972	4.5
237.85143	2.4
239.17966	13.6
257.19009	16.8
261.22089	4.3
275.13416	2.3
289.21631	100.0
290.22058	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	289.216
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
52.86448	1.0
53.03938	2.3
55.01851	2.0
55.05262	1.9
55.05509	27.8
57.07064	1.4
59.04977	3.2
67.05498	18.8
69.03413	1.5
69.07067	11.5
69.92468	6.3
70.45258	1.1
72.52557	1.1
73.06551	1.1
79.05055	1.5
79.05485	20.5
81.07051	23.0
83.04977	2.4
83.08611	10.3
85.06517	3.7
91.05471	55.4
93.07041	18.7
95.04942	3.3
95.08602	11.4
97.06493	1.2
97.10161	10.5
103.05444	2.3
105.07023	100.0
106.07365	1.7
107.08591	11.4
109.06525	1.7
109.10144	4.5
111.08047	1.5
115.05489	1.3
117.07005	13.3
119.08572	45.8
121.10125	6.6
125.09599	6.2
129.07001	3.1
131.08566	18.6
133.10117	56.8
134.10498	1.6
135.11674	2.7
143.08553	5.4
145.10112	56.2
146.10718	1.2
147.08102	1.3
147.11674	61.1
149.09586	1.6
149.13156	1.5
155.08531	2.3
157.10112	4.0
159.11691	10.8
161.09586	1.4
161.13243	5.9
163.11195	2.2
169.10168	2.9
171.11736	8.8
173.13255	5.1
183.11685	5.6
185.13142	1.7
190.52124	1.1
197.13187	4.9
201.12746	2.0
211.14828	3.1
215.14377	1.3
215.18089	1.7
229.15875	1.5
239.17914	12.9
257.18994	44.7
279.97818	1.0
289.18356	4.5
289.21597	90.9
290.21445	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	289.216
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
50.01598	0.9
52.39590	0.9
53.03928	2.2
55.01862	1.3
55.05508	18.2
56.96565	0.9
57.07073	1.9
58.38813	0.9
59.05001	1.1
67.05504	16.6
69.06708	1.5
69.07061	15.1
71.59967	2.2
73.06548	2.3
76.04948	0.9
79.05488	20.5
81.06577	1.3
81.07050	23.3
83.04912	1.3
83.08616	6.3
85.06527	2.7
91.05474	50.3
93.07024	17.2
95.04961	3.3
95.08594	15.9
97.06500	1.8
97.10158	2.5
99.08085	1.2
99.41974	0.9
103.05451	1.7
105.07021	71.2
107.04964	1.3
107.08596	10.6
109.06494	1.7
109.10125	5.7
111.08012	1.2
115.05450	1.9
115.07562	1.5
117.07013	13.0
119.08575	51.7
121.10129	5.8
123.08040	1.7
125.09602	1.6
128.06210	1.2
129.06975	3.8
131.08546	21.2
133.10123	52.0
135.08055	2.7
135.11673	2.1
137.09595	1.0
141.06987	1.4
142.07814	1.0
143.08542	3.5
144.09377	1.0
145.10106	19.0
147.08029	1.0
147.11687	22.7
149.09538	1.4
151.11205	1.5
155.08505	3.5
157.10109	4.6
159.11676	15.4
161.09499	1.5
161.13266	10.2
163.11116	1.1
169.10141	2.9
171.11655	4.3
173.09566	1.1
173.13252	12.0
175.11098	1.0
175.14769	2.2
183.11665	3.6
185.13181	2.1
187.11156	2.9
187.14856	1.6
188.92435	1.5
197.13216	3.6
198.20746	1.0
201.12729	2.4
211.14728	2.1
213.16330	1.7
215.14317	1.4
215.17918	3.2
229.15749	1.3
239.17960	6.0
257.19006	13.6
258.34256	0.9
275.73956	1.1
289.21600	100.0
290.21945	4.8
294.00385	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.216
Annotation	Pipataline
Peak:m/z	Relative Intensity
53.03925	1.7
55.01849	2.7
55.05512	16.7
65.03928	2.0
67.05500	19.0
69.07064	14.9
70.20210	6.7
71.04990	1.7
73.06544	1.8
79.05487	17.2
81.07051	19.5
82.17260	1.8
83.08606	5.7
85.06519	5.1
91.05475	49.6
93.07037	16.6
95.04971	3.9
95.08604	14.8
97.06525	1.8
97.10171	3.5
103.05482	3.5
105.07029	68.5
107.08578	9.2
109.10123	6.7
115.05506	2.0
117.07014	15.8
119.08576	53.4
121.06500	2.6
121.10136	4.6
129.06987	5.0
131.08578	20.2
133.10126	35.8
141.06979	2.8
143.08545	3.9
145.10129	20.5
146.59641	1.4
147.07974	1.7
147.11682	28.0
149.09608	3.0
155.08530	3.1
157.10107	3.9
159.07994	3.1
159.11685	16.9
161.09558	1.9
161.13223	11.3
163.11133	2.5
169.10083	2.9
171.11710	7.4
173.13243	14.2
175.11206	2.5
183.11723	3.9
185.13016	1.8
197.13283	3.1
201.12778	2.1
211.14874	2.2
215.14308	2.1
215.17908	4.5
229.15791	1.7
239.17953	7.2
257.19046	13.8
271.16702	1.8
289.18335	5.3
289.21585	100.0
290.21896	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86147	1.2
53.03934	3.8
55.01872	4.9
55.05510	35.3
55.82811	1.2
56.39928	1.2
57.03438	29.2
57.07076	1.9
65.03925	1.9
67.05505	51.6
69.03419	2.5
69.07069	30.8
70.06588	5.6
70.09973	2.6
70.10371	2.8
71.04642	2.2
71.04994	21.4
72.08142	2.5
73.06538	2.1
79.05490	23.6
81.03419	1.9
81.07056	86.3
82.07437	1.3
83.04986	6.1
83.08620	23.5
84.04481	2.0
84.08146	2.7
85.06548	16.5
86.09699	3.7
87.04433	1.4
91.05479	26.8
93.07043	22.7
95.04974	3.8
95.08604	100.0
97.06528	21.9
97.10160	7.3
99.08077	8.2
105.07034	20.5
107.04942	4.5
107.08587	9.7
109.06526	3.8
109.10161	15.2
110.88072	1.2
111.04439	1.8
111.08089	7.1
111.80505	1.3
113.09595	2.4
115.07565	1.4
117.07007	3.1
119.08576	31.0
121.06520	2.0
121.10145	6.5
123.08081	7.2
125.09578	1.4
127.07547	2.4
129.07059	1.9
129.10187	1.8
131.08528	3.1
133.10136	16.2
135.03088	1.4
135.04385	2.1
135.08043	1.9
135.11702	9.0
136.07593	2.0
137.09605	3.6
137.13260	8.7
137.73868	1.2
149.13210	1.7
151.11075	1.5
152.07060	1.8
159.08054	6.1
159.11745	1.4
161.09636	1.5
161.13254	46.0
164.07103	1.7
179.14320	24.5
182.54362	1.5
184.07466	1.8
197.15401	6.0
253.18050	3.0
271.16666	2.4
271.19122	25.9
289.06082	11.0
289.14487	3.0
289.17422	2.6
289.20261	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01527	1.8
53.03956	3.2
55.01881	3.6
55.05269	2.5
55.05515	36.9
56.96556	4.0
57.03186	2.1
57.03439	26.0
57.07061	2.3
65.03921	2.2
67.05184	3.2
67.05511	50.3
69.03409	2.3
69.07072	26.9
70.06580	3.0
70.26396	6.2
71.04996	16.4
72.08162	1.8
74.46046	1.6
79.05505	21.7
81.07061	91.4
83.04970	5.6
83.08626	19.5
85.02905	1.9
85.06545	15.1
85.32446	1.5
86.09704	2.0
91.05481	25.4
93.07052	23.4
95.04957	4.7
95.08612	100.0
97.06545	17.2
97.10161	6.2
99.08091	6.8
105.07030	18.3
107.04942	4.7
107.08595	11.5
109.06511	5.6
109.10148	12.6
111.08057	5.1
115.07560	2.6
117.07038	3.2
119.08585	28.0
121.06540	2.3
121.10152	6.7
123.08038	5.8
125.09695	2.2
127.07533	1.7
131.04886	1.7
131.08600	2.4
133.06454	1.8
133.10143	19.0
135.07941	1.8
135.11676	6.8
137.09619	4.5
137.13289	9.9
141.09116	1.6
144.30602	1.8
145.06505	2.1
149.13246	3.1
159.08049	5.3
161.09605	2.1
161.13264	40.7
179.14325	23.9
192.11749	1.5
197.15356	5.9
228.09305	3.0
253.18042	2.1
267.00781	1.8
271.19080	15.9
274.09802	1.8
287.14453	1.7
289.05917	3.7
289.12167	5.7
289.17889	4.7
289.20377	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	289.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.2
55.01859	4.2
55.05510	35.4
56.96547	1.8
57.03434	22.8
57.07053	1.9
65.03912	1.8
65.29591	1.5
67.05502	51.1
69.03428	2.7
69.07066	29.8
69.57706	9.9
69.58112	2.3
70.06584	2.4
70.21844	1.6
71.04993	14.9
79.05486	28.2
81.07056	78.6
83.04969	4.4
83.08612	19.9
83.70444	1.5
84.04495	1.8
85.06545	15.2
87.04463	1.7
91.05473	23.2
93.07042	20.4
95.04963	3.3
95.08603	100.0
97.06530	18.0
97.10175	7.4
99.08105	7.5
103.05464	2.0
105.07027	22.4
106.24785	1.5
107.04971	2.3
107.08573	10.0
109.06500	4.0
109.10159	13.0
111.08065	6.2
117.07022	3.6
119.08572	27.1
121.06506	2.1
121.10107	6.0
123.08071	5.8
123.11661	2.2
130.19769	1.4
130.99606	1.4
131.08574	2.6
133.06450	1.8
133.10138	16.7
135.08035	3.0
135.11710	10.6
137.09613	3.3
137.13232	9.9
145.10208	1.7
147.08043	2.9
149.13211	4.2
159.08029	4.3
161.09650	3.3
161.13252	40.0
167.14357	2.4
177.09140	4.1
179.14308	23.4
181.10054	1.6
197.15358	4.5
231.14145	2.0
253.18028	2.6
271.16516	2.8
271.19229	10.5
289.17749	9.5
289.20532	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	289.1798
Annotation	Estriol
Peak:m/z	Relative Intensity
53.03947	0.5
55.05500	0.9
56.96567	0.2
57.03427	0.8
57.07062	0.5
57.38115	0.2
67.05503	0.8
69.03398	0.3
69.07057	0.6
69.71258	0.3
69.71671	0.9
71.08636	0.2
79.05491	1.5
81.07059	1.0
83.04948	0.2
83.08650	0.4
85.06551	0.5
91.05490	0.8
93.07038	1.1
95.04962	0.9
95.08595	1.0
97.10242	0.2
105.07021	1.0
107.04950	100.0
107.08585	0.8
108.05272	0.7
109.06493	0.4
109.10155	0.7
111.08128	0.2
116.19464	0.2
117.07010	0.8
119.08591	0.8
121.02844	0.3
121.06470	0.5
121.10132	0.5
123.04463	0.2
123.08070	0.4
125.05974	0.2
125.09631	0.3
129.42886	0.2
131.08559	0.6
133.06529	0.5
135.08034	0.4
137.09593	0.3
137.13268	0.6
141.07033	0.2
143.08516	0.2
145.06491	0.6
145.10097	0.3
147.08014	0.2
149.13319	0.2
153.06984	0.2
156.74567	0.2
159.08012	0.6
161.09590	0.8
164.85027	0.2
165.12711	0.5
167.14293	0.4
169.10158	0.3
173.09648	0.8
173.13248	0.2
177.09235	0.2
177.12741	3.3
183.13811	2.6
187.11226	0.4
201.09027	0.3
215.02652	0.3
215.14334	0.8
217.02293	0.3
219.62746	0.2
243.17542	0.9
253.15990	0.3
271.16953	2.3
288.95758	0.5
289.17960	6.7
289.21280	0.4
289.29279	0.3
310.54889	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1797
Annotation	Estriol
Peak:m/z	Relative Intensity
53.03950	1.1
55.01860	2.8
55.05513	11.2
56.05027	1.0
57.03439	17.6
57.07056	1.9
65.03925	1.8
67.05502	8.3
69.07051	3.5
69.56220	7.6
79.05498	11.8
81.03407	2.6
81.07072	8.5
83.04970	2.4
83.08604	2.3
88.07626	4.1
91.05481	12.6
93.07049	6.5
95.04955	3.7
95.08607	3.2
96.86340	0.9
97.06513	1.0
97.10150	3.5
98.20758	2.0
103.05494	1.2
105.07032	8.1
106.08669	1.2
107.04965	5.3
107.08587	3.7
109.06511	4.4
109.10139	2.6
115.05418	2.4
117.07023	5.8
119.04958	1.1
119.08588	13.6
121.06485	8.2
121.10197	1.2
123.04403	2.3
123.08081	1.1
125.09591	1.9
125.10503	1.1
128.06204	1.0
129.07004	3.4
131.04913	3.3
131.08566	4.4
133.06488	2.7
133.10121	2.8
135.08028	7.1
143.08580	3.2
145.06490	5.4
145.10104	3.0
147.08049	7.5
147.11629	1.2
149.09631	1.5
155.08556	1.7
157.06447	1.2
157.10187	1.5
159.06845	2.1
159.08064	30.8
160.08830	8.3
161.09593	2.9
163.07515	2.0
163.11311	1.2
169.10086	1.4
171.11705	1.9
173.09673	4.9
175.11238	1.6
177.09090	2.0
185.09601	1.5
187.11105	1.2
187.14798	1.1
199.11325	1.2
215.14337	4.7
233.15338	9.6
242.24803	3.0
243.17450	3.8
253.15889	4.7
261.18488	1.2
266.15393	1.0
271.16919	21.2
289.17981	100.0
289.28885	1.9
290.18326	3.5
290.26926	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	289.1795
Annotation	Micrandrol D
Peak:m/z	Relative Intensity
51.88675	0.6
53.03954	1.0
55.01857	2.3
55.05268	0.6
55.05513	9.3
56.96554	1.2
57.03428	5.8
57.07054	1.4
58.06584	0.6
59.04995	0.4
65.03931	0.7
67.05497	5.3
69.03429	0.9
69.07056	3.0
69.30998	4.9
71.05012	0.6
71.08607	0.7
71.18456	0.5
79.05486	7.4
81.07054	7.0
83.04970	1.2
83.08614	2.6
88.07629	2.1
89.07151	1.2
91.05478	15.9
93.07042	6.5
95.04981	3.0
95.05488	0.5
95.08601	3.7
97.10181	0.7
98.20778	0.9
103.05477	1.7
105.07021	12.0
107.04956	2.9
107.08575	4.9
109.06506	2.5
109.10136	1.0
111.08112	0.7
115.05438	1.6
116.06190	0.7
117.07001	7.2
119.04955	1.3
119.08574	22.8
121.06501	2.7
121.09663	2.5
123.08051	1.8
128.06221	1.5
129.06985	3.3
130.07764	1.0
131.04950	2.1
131.08559	5.7
131.15115	0.6
132.05673	0.9
133.06491	4.1
133.10150	4.4
135.08044	4.1
135.11653	0.6
137.05919	0.6
137.09616	1.8
141.06982	1.1
142.07828	0.6
143.08560	2.2
145.06471	6.4
145.10109	3.3
146.07233	1.8
147.08047	6.0
147.11681	2.1
149.05908	0.9
149.09679	1.1
151.07481	0.8
153.09131	1.2
155.08606	1.2
157.06436	0.7
157.10146	1.3
159.08051	12.0
159.11644	2.4
160.08839	5.3
161.09595	5.3
161.13268	1.2
163.07524	2.9
163.11150	0.8
169.10164	1.8
171.08080	0.6
171.11688	0.9
173.09598	3.2
173.13248	1.2
175.11182	1.3
177.09032	1.0
183.11684	0.8
185.13326	0.7
187.11185	1.1
187.14842	0.9
189.12669	0.9
197.09634	0.6
197.13283	1.1
199.14815	0.6
205.15921	0.9
206.08972	0.6
213.23227	0.8
215.08580	1.4
215.14365	2.9
225.16501	0.9
233.09625	1.4
233.15364	2.3
242.24869	0.6
243.17506	2.1
245.25960	0.7
253.15814	0.9
261.14877	0.9
261.18561	1.8
271.16916	6.6
274.15695	0.8
289.17972	100.0
289.28683	7.3
290.18427	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1794
Annotation	Micrandrol D
Peak:m/z	Relative Intensity
51.02353	0.4
53.03925	0.8
55.01860	2.0
55.05256	0.7
55.05509	8.1
57.03434	5.7
57.07079	1.2
58.06592	0.6
59.04962	0.6
67.05499	5.1
69.03401	0.5
69.07070	3.1
69.21590	0.5
69.95712	2.5
70.06578	0.6
71.04974	0.9
71.08624	1.1
79.05138	0.5
79.05495	6.8
81.07057	6.0
81.67661	0.5
83.04964	1.2
83.08630	2.8
84.08151	0.6
85.06532	0.9
88.07639	0.8
89.07158	0.6
91.05480	15.2
93.07049	3.9
95.04954	1.7
95.08605	4.7
97.06506	0.5
97.10164	0.6
97.59380	0.5
98.20432	0.5
99.08105	0.5
103.05457	1.4
105.06396	0.8
105.07037	11.3
107.04974	2.5
107.08592	3.7
109.06501	1.5
109.10146	1.0
115.05450	1.5
117.07012	7.1
119.04945	1.1
119.08580	19.2
121.02870	0.6
121.06478	2.1
121.09773	2.1
123.08055	1.0
124.80760	0.5
125.06115	0.5
128.06223	1.7
129.07004	2.6
130.07739	0.6
131.04912	1.8
131.08572	4.4
132.05693	1.2
133.06512	3.3
133.10097	2.3
135.08037	4.8
135.11676	0.8
137.09605	1.4
141.07005	1.0
142.07730	0.5
143.08537	1.8
145.06445	5.8
145.10114	3.1
146.07262	1.5
147.08052	4.7
147.11662	2.5
149.05994	0.7
149.09627	0.9
151.07529	0.8
153.08994	1.1
155.08549	0.8
157.10141	1.5
159.08054	11.6
159.11691	1.8
160.08842	5.9
161.09628	5.2
163.07545	3.1
163.11139	0.6
169.10109	1.0
171.11729	1.1
173.09586	2.4
173.13235	1.2
177.09052	0.8
183.11693	0.7
185.09535	0.7
187.11171	1.3
187.14902	0.8
189.12701	0.7
191.10721	0.6
201.12782	0.7
215.08536	0.8
215.14282	1.6
233.09506	0.8
233.15366	1.9
234.98265	0.5
242.24745	0.6
243.17459	1.6
253.15900	1.1
261.14929	0.8
261.18451	1.0
271.16913	6.5
274.15634	0.7
289.08594	1.6
289.17981	100.0
289.21237	4.1
289.28574	7.2
290.18298	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1797
Annotation	Micrandrol D
Peak:m/z	Relative Intensity
53.03936	1.1
55.01867	4.0
55.05508	11.1
56.05030	0.8
57.03434	17.3
57.07062	1.6
67.05498	9.0
69.03410	1.5
69.07056	2.0
70.19895	3.1
71.04984	0.7
74.06087	0.9
79.05483	11.5
81.03423	4.6
81.07050	8.5
83.04962	1.6
83.08620	4.1
88.07623	4.9
91.05473	14.6
93.07029	6.1
95.04977	3.5
95.08576	3.1
97.06532	1.9
97.10162	3.8
103.05436	0.9
105.07020	9.2
107.04948	6.9
107.08611	5.4
109.02925	0.7
109.06520	4.4
109.10148	3.0
111.08051	1.4
115.05418	1.6
117.07012	6.2
118.08645	1.0
119.05008	0.8
119.08581	14.3
121.06489	5.6
121.10122	1.8
123.04390	1.6
123.08072	1.4
123.11697	0.6
125.09619	2.1
128.06207	2.2
129.07033	3.4
130.42921	0.7
131.04915	2.9
131.08546	5.0
132.05592	0.8
133.06480	2.7
133.10094	3.0
135.08044	8.3
137.09581	1.0
141.07008	1.4
142.07796	0.9
143.08546	2.7
144.05695	0.9
145.06483	5.0
145.10107	2.5
146.07240	0.6
147.08046	5.4
147.11713	1.3
149.09616	1.3
155.08510	1.8
157.10107	2.4
159.08047	27.9
159.11665	1.8
160.08826	6.7
161.09581	4.6
163.07547	1.6
163.11208	1.1
169.10052	1.3
171.07985	0.8
171.11665	1.6
173.09641	5.0
175.07558	0.7
177.09088	3.1
185.09578	2.2
187.11179	1.4
187.14777	1.1
189.12769	1.5
193.12256	1.3
197.13246	1.1
199.11243	1.5
215.14322	4.0
217.12198	0.7
225.16330	1.0
233.15367	9.9
235.14696	1.2
235.17662	0.6
240.82980	0.7
242.24802	3.8
243.17499	3.5
253.15878	3.6
261.18506	1.4
271.16913	19.3
271.19772	1.3
289.17963	100.0
290.18228	2.9
290.26874	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	289.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08017	0.9
56.96558	8.5
57.03428	4.0
58.99859	2.1
60.05644	1.9
61.02918	3.9
69.03421	5.3
69.38280	4.5
69.38712	4.2
70.06583	9.4
71.04996	1.5
72.08168	1.3
73.02911	10.9
77.00884	3.1
81.03391	1.8
82.99876	1.7
84.04517	1.4
84.08144	4.0
85.02899	12.9
87.05567	1.6
91.03960	1.5
97.02875	5.3
97.06525	1.2
98.97572	3.5
99.04441	1.1
101.00856	11.8
101.02343	1.3
103.02438	1.3
104.01278	1.2
109.02873	2.1
110.07146	1.5
111.07467	1.8
111.53123	1.1
112.08749	1.1
113.00857	1.4
115.02427	9.9
116.07085	3.0
116.98627	4.9
118.01052	1.5
119.01910	100.0
119.51965	1.6
120.01954	2.7
122.02245	1.3
123.02932	1.4
127.03909	5.6
127.04944	1.4
127.08695	1.8
128.02319	1.0
128.98628	2.2
129.03996	1.9
131.01884	14.9
132.08452	2.3
133.01810	1.4
133.03464	33.2
134.03583	1.0
134.99661	4.1
135.03004	1.0
135.05028	2.4
137.02948	40.7
138.03371	1.2
139.02513	1.1
139.04129	1.2
142.03456	1.9
143.01889	14.1
144.99803	3.6
145.03470	7.1
145.04933	1.3
146.99619	5.2
147.01360	3.1
147.05029	7.4
147.29388	0.9
149.02954	8.3
151.04553	6.9
153.03967	2.2
155.01888	4.6
155.02963	1.0
157.03458	3.2
158.99710	1.0
159.01360	2.8
161.02939	59.4
162.03241	2.2
162.04437	2.2
163.00859	1.6
163.02742	1.4
163.04482	3.7
165.00690	2.3
167.03966	1.0
168.99847	7.7
171.01427	4.8
173.02948	21.5
175.00839	1.4
175.04521	4.2
175.11945	7.9
176.03258	1.1
177.00717	2.9
177.02432	2.6
177.04056	1.3
179.02261	1.9
179.04001	4.9
180.01932	1.0
183.05074	1.8
183.07614	1.9
184.04512	1.1
185.02898	6.1
187.00894	19.1
188.97142	1.7
189.00801	1.5
189.02394	13.9
190.04121	1.4
190.05826	2.8
191.03972	22.0
191.05547	1.7
191.53932	1.6
192.04430	2.1
193.00092	1.6
193.01994	1.1
196.04526	1.2
196.99272	2.7
197.02960	1.1
199.00926	7.0
199.04503	1.9
199.06285	1.8
201.00740	1.4
201.02400	2.9
203.04002	4.4
205.01923	8.9
205.03615	1.5
207.03519	6.2
207.05222	2.0
207.55321	1.6
214.05696	1.3
215.00345	27.9
215.03900	2.1
217.01892	18.2
217.05431	1.6
219.03490	7.6
221.05081	3.0
223.01198	1.1
229.01982	5.9
231.03406	5.6
231.07060	1.4
233.01489	3.4
235.03079	2.5
235.06746	1.4
238.01836	1.5
245.05092	1.4
247.02994	19.2
248.99373	1.3
251.04384	2.0
259.02954	2.1
263.06116	1.3
265.04050	6.8
267.00284	2.2
277.03958	2.3
289.04263	5.1
289.07693	4.6
289.15927	2.3
289.18729	2.1
294.07446	1.3
307.05078	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	288.1594
Annotation	Cocculitinine
Peak:m/z	Relative Intensity
53.03935	0.8
56.96555	0.3
57.07063	0.5
58.69775	0.2
62.62960	0.2
67.05494	0.4
68.05012	1.0
69.03405	0.6
69.91553	1.4
75.48606	0.2
79.05476	1.1
81.07021	0.3
85.02935	0.3
87.04464	3.1
93.06996	0.3
95.04965	1.5
95.08618	0.4
96.08118	3.6
98.21416	0.3
107.04945	100.0
108.05257	1.8
108.08079	0.4
133.89052	0.2
135.08017	0.7
136.07573	1.4
141.91811	0.2
146.09601	0.4
148.08418	0.3
149.81615	0.2
164.10703	9.2
174.09033	1.6
175.09372	1.8
176.10110	0.3
182.11749	35.2
183.12093	0.7
201.07683	0.4
202.07999	1.1
259.53677	0.3
260.15808	0.3
270.11340	0.3
288.05890	0.6
288.15524	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50853	1.1
55.05509	9.1
55.21438	1.1
56.05028	3.8
56.96571	2.1
57.03434	8.5
57.05791	1.1
58.99580	6.9
60.04514	2.5
60.05649	4.4
67.05499	3.5
69.03416	2.4
69.07069	3.5
69.64828	7.8
70.06594	30.5
72.08154	100.0
74.06093	1.1
76.02225	29.0
76.04011	2.0
79.05494	6.4
80.05025	1.8
81.03419	23.9
81.07056	4.3
82.03753	1.6
83.04984	1.8
83.08623	3.3
84.04053	1.3
84.04513	11.7
84.08143	14.6
85.02917	2.6
86.06058	2.3
86.09704	63.6
86.99045	2.1
91.05459	8.5
93.07053	2.9
95.04987	5.2
95.08605	2.1
97.02924	1.7
97.06559	1.3
97.07695	1.0
97.10183	1.2
98.06055	4.4
98.21495	1.2
98.97557	1.1
98.98479	1.6
102.05547	1.8
103.05429	1.3
104.10735	1.1
105.07027	3.4
107.04973	3.7
107.08585	1.2
109.06474	1.9
110.07154	3.1
111.04447	1.4
111.08076	1.3
112.08704	2.3
115.08670	1.8
116.01688	7.0
116.07081	5.5
116.98651	1.6
118.63284	1.0
119.08553	3.2
120.08120	7.6
121.02902	1.2
121.06527	4.0
122.06857	2.0
123.08069	3.0
125.00022	1.6
129.06995	1.4
129.10239	76.8
130.05003	5.2
130.06549	1.9
130.08717	1.5
130.09723	1.9
131.08588	1.5
132.08051	1.3
132.10205	11.7
133.10146	1.3
134.08275	1.3
134.99667	1.7
137.09657	2.1
142.03235	3.7
143.11774	9.7
144.01167	2.9
145.02811	1.5
146.99637	1.5
147.11545	1.3
149.09586	1.7
150.96974	1.4
156.11368	1.4
157.09729	21.3
157.13338	3.1
158.09308	3.3
159.09187	3.1
162.02220	9.0
170.06111	1.5
171.11223	1.3
175.11981	12.0
177.05484	2.2
179.04851	6.7
184.07355	2.4
185.03830	1.8
189.12334	4.6
193.12245	4.7
227.68228	1.3
233.05945	2.6
239.02275	1.1
252.16064	2.2
267.15936	9.6
268.16306	2.5
269.03247	1.5
271.17648	2.3
288.05923	13.6
288.20392	21.3
289.06088	1.1
289.20657	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.05491	1.3
56.96563	0.9
57.03415	1.1
58.99845	1.5
59.97948	0.5
62.42770	0.5
67.05486	0.6
69.07053	1.5
70.04055	1.2
71.59420	0.5
77.00898	6.8
79.05474	2.2
81.07034	1.6
83.08613	1.1
91.05463	7.0
93.07024	1.4
95.01933	4.3
95.04942	1.0
95.08591	1.3
97.10132	1.9
105.07024	0.9
107.04947	2.4
107.08611	1.1
109.10154	0.6
114.82788	0.5
115.39735	0.5
117.06967	1.2
119.08571	2.0
121.06500	1.1
125.04509	0.8
129.03931	0.5
129.06964	0.6
133.03372	0.7
133.10042	0.8
139.06012	1.1
141.03940	2.2
153.03973	2.6
155.05522	9.8
157.03384	0.7
159.05002	3.8
159.08008	1.1
161.08131	0.9
169.07117	3.2
169.10126	0.6
171.05037	5.5
173.06586	22.6
174.06606	0.5
175.04520	0.6
175.08182	0.6
181.07152	0.8
183.08629	4.3
185.06564	1.6
187.08147	11.2
191.07565	0.6
191.09119	0.7
196.08147	0.9
197.06560	0.7
199.08159	3.4
199.09708	1.0
201.07838	0.7
201.09708	19.0
205.09146	7.3
205.10779	1.1
209.10162	2.5
210.09743	0.5
211.09909	1.0
211.11836	2.4
215.11284	1.1
217.09006	0.8
217.10820	5.8
219.10706	2.6
221.10345	1.4
224.11351	1.0
227.11186	2.6
229.10661	2.8
229.12772	12.3
235.11784	5.6
237.13385	2.3
239.14984	0.7
247.11734	8.6
253.12833	3.2
255.14322	0.9
257.15985	6.4
265.12830	56.6
266.13049	1.0
270.13275	0.8
283.13879	100.0
284.14105	2.4
288.05795	2.3
288.14383	10.0
288.19882	0.7
289.14850	0.8
289.17880	2.6
306.15509	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	288.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79842	1.9
55.14985	2.0
55.59610	1.7
56.20827	2.1
56.96546	3.6
62.10133	2.1
70.06573	6.7
71.58528	2.1
71.58925	3.4
72.08145	3.7
72.93773	9.2
79.95797	2.1
84.04485	3.0
84.08121	7.2
86.09689	3.7
90.94813	6.5
91.05472	9.1
95.04968	7.4
102.05514	2.1
104.09270	2.3
107.04950	100.0
113.96379	5.9
116.98558	2.8
119.04940	15.2
121.06465	3.0
123.04422	21.6
129.10231	3.0
131.97417	8.0
132.95844	8.7
134.99654	2.5
136.07571	54.5
146.97357	2.8
147.04416	11.8
148.26804	2.6
150.96906	5.5
155.97423	8.8
165.05455	35.2
170.61501	2.0
173.98479	4.2
174.96893	8.1
182.08128	50.2
185.98357	2.7
263.17313	2.2
287.97836	2.4
288.05862	4.4
288.20352	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	288.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.01870	1.2
55.05504	1.7
56.05033	1.4
56.96561	6.5
60.04520	0.8
65.03925	0.9
67.05501	2.6
69.03425	2.6
69.07064	1.7
70.06585	8.8
70.07671	3.9
71.04982	1.6
72.08158	1.2
72.93774	1.6
74.06078	1.0
74.97596	1.1
75.37984	0.6
79.05494	7.7
81.03388	0.8
81.07041	4.7
82.06593	0.9
83.04972	3.3
84.04497	1.9
84.08138	1.6
85.02900	1.5
86.06059	16.7
86.09659	1.7
87.04456	12.7
87.08095	2.9
90.94810	1.6
91.05475	26.2
92.05773	0.8
93.07032	5.4
95.04971	10.9
95.06082	1.3
95.08614	2.3
97.06563	1.4
97.10144	0.9
98.06046	41.8
98.97554	2.3
99.97853	0.8
100.07642	0.9
102.05533	1.0
103.05492	1.8
104.07098	1.6
107.04946	100.0
107.08594	2.2
108.05309	0.9
109.06514	1.1
113.96417	0.9
116.98595	2.6
119.01936	4.0
119.04931	26.8
121.06483	1.7
121.10145	4.4
121.10918	0.7
123.04417	41.4
124.07592	1.5
126.05507	8.9
128.07019	0.8
128.96400	0.8
129.10286	0.9
131.04866	0.9
131.08582	1.7
131.97418	1.8
134.99646	2.2
136.07565	57.9
137.02946	1.1
139.11176	1.6
140.07111	1.0
142.08629	2.2
146.97375	2.2
147.04398	15.2
149.09621	7.1
152.07086	1.0
154.08588	3.6
158.99623	1.3
161.02957	1.4
165.05458	58.5
166.12286	2.2
167.10651	1.2
174.96910	1.4
177.00710	2.5
178.96851	2.6
182.08112	29.5
184.13280	4.6
187.00824	1.2
196.97876	5.6
202.14320	1.2
206.15407	3.3
219.01866	1.2
224.16411	3.6
234.14926	3.5
242.26633	0.9
252.15932	26.5
256.09692	0.8
282.35556	0.8
283.08334	0.9
288.05908	2.3
288.12228	2.9
288.18005	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	288.1226
Annotation	Noraugustamine
Peak:m/z	Relative Intensity
53.03915	0.6
55.01859	0.5
67.05502	0.5
70.06572	1.0
71.59734	0.6
72.08122	0.6
72.93787	0.4
79.05478	1.9
81.03410	0.6
81.07032	1.1
84.08150	0.8
86.09659	0.6
87.62491	0.4
91.05476	2.5
93.07041	0.5
94.06011	0.7
94.06558	8.6
95.04916	1.4
95.08569	0.6
96.08129	3.7
98.06049	0.6
105.07050	0.7
106.06553	1.0
107.04950	51.0
108.08147	0.5
113.96339	0.6
119.15190	0.4
119.73952	0.4
120.08091	3.4
121.02866	1.7
121.06523	0.5
122.06025	1.5
122.09649	1.6
123.04410	1.2
124.07611	1.0
132.08084	0.7
133.08846	0.7
134.06010	7.0
134.09654	1.0
136.07571	1.5
145.06398	0.4
146.97383	0.5
148.07553	1.4
150.96884	0.8
152.07057	29.1
154.08612	1.2
155.97417	0.5
166.08617	0.9
173.98468	0.9
174.96918	0.9
182.08144	9.1
182.09636	1.2
183.08131	0.7
186.09154	0.6
194.08147	4.5
198.09050	0.8
200.10696	3.0
210.09163	1.6
212.10732	2.2
213.07867	0.9
214.08621	2.9
215.09422	3.0
216.10184	0.5
224.10614	0.5
228.10190	5.5
229.10864	1.6
242.11754	1.2
260.12878	0.9
270.11243	1.5
273.09964	6.3
288.12277	100.0
289.12741	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	287.2368
Annotation	Retinol
Peak:m/z	Relative Intensity
51.02373	2.5
53.03938	3.5
55.01857	6.8
55.05508	21.1
56.96560	14.7
57.03427	3.4
57.07085	13.0
61.02912	2.8
62.99272	2.6
65.03941	4.8
67.05180	2.3
67.05503	36.1
69.03407	10.9
69.06712	3.5
69.07058	36.3
70.77939	4.6
71.04965	7.2
71.08642	3.2
72.07477	2.7
73.39543	2.4
76.92861	5.1
77.03956	2.1
79.05487	24.9
81.03405	6.0
81.07053	79.2
83.04964	5.6
83.08603	10.5
84.08136	3.9
85.02888	8.3
87.04440	4.4
91.05476	24.2
92.05785	3.6
93.07038	44.4
94.06557	6.9
95.04961	10.4
95.08050	3.8
95.08605	53.0
97.06509	7.4
98.97578	6.0
99.08074	10.4
105.07027	50.3
106.06461	2.5
107.04952	43.3
107.08591	57.3
109.06509	7.7
109.10147	36.5
111.08065	5.1
111.11656	3.2
116.98571	8.9
117.07005	6.9
119.08577	44.8
120.08105	3.5
121.02843	6.1
121.06477	4.1
121.10151	38.1
123.08040	6.3
123.11697	17.2
124.07580	2.8
127.03894	4.3
128.06151	3.0
129.07005	4.9
131.08559	17.1
133.10130	32.3
134.05984	4.8
134.99638	7.2
135.08057	4.1
135.11659	17.2
137.09584	4.9
137.13235	6.7
139.11221	3.8
142.07790	5.0
143.08568	11.8
145.10121	30.9
147.11661	28.5
149.09607	5.6
149.13199	17.8
152.07088	13.9
153.01770	4.0
156.09285	5.3
157.06494	3.1
157.10150	15.6
158.10921	3.6
159.11694	35.6
161.01176	4.7
161.05954	4.6
161.13251	18.3
163.11147	3.6
163.14807	6.9
165.12740	5.5
167.03371	5.6
171.11682	17.2
173.13269	26.3
175.07567	4.7
175.14774	9.9
182.08145	5.0
185.13219	11.3
187.14807	11.2
189.09056	4.0
189.16354	6.9
191.14201	4.4
194.08163	3.8
199.09421	2.9
199.14757	15.1
200.10619	3.7
201.16368	20.0
203.17816	4.1
205.15799	4.1
213.16327	17.8
214.08334	4.2
215.17966	5.3
217.15993	5.1
221.05234	3.2
227.11865	5.4
227.17918	11.0
228.10210	3.7
229.19489	18.2
231.06514	7.0
242.11745	3.2
259.06055	3.8
269.04294	2.5
269.12808	6.5
269.22623	44.0
270.11166	4.8
272.11343	3.5
287.02148	5.1
287.05481	71.4
287.10910	4.9
287.13776	11.2
287.16647	5.5
287.20529	4.9
287.23654	100.0
288.05966	9.4
288.12289	56.5
288.19705	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2001
Annotation	CHEBI:70569
Peak:m/z	Relative Intensity
53.03927	4.7
55.01860	3.6
55.05502	16.4
56.96560	3.3
57.03413	3.0
57.07067	7.4
59.04977	5.1
60.95847	3.5
65.03934	2.5
67.05508	26.2
69.03416	13.4
69.07069	18.9
70.38303	6.5
70.38696	6.3
76.07024	2.6
79.05482	21.0
81.07043	31.1
83.04956	7.9
83.08592	7.6
83.50523	3.2
85.06509	5.1
91.05476	31.1
93.06472	2.8
93.07036	41.5
95.04950	25.1
95.08601	25.9
97.02892	2.8
97.06532	14.8
97.10133	5.0
103.05399	2.9
105.07016	41.7
107.04928	7.1
107.08584	53.6
109.06509	13.9
109.10143	20.5
111.08044	3.8
115.05442	3.4
117.07024	14.7
119.08564	50.5
121.02862	6.0
121.06449	6.9
121.10130	42.2
122.58727	2.7
123.08065	10.8
123.11684	8.3
125.09654	3.3
128.06157	5.6
128.69757	2.9
129.06940	14.4
130.07753	6.1
131.08563	38.3
133.10124	28.0
135.08020	7.4
135.11662	8.4
137.09590	4.3
141.06979	5.4
142.07767	8.3
143.08551	30.1
144.09303	9.7
145.06470	4.3
145.10114	33.2
147.08044	8.7
147.11694	19.4
149.09615	40.9
149.13206	3.3
151.11163	6.3
153.01816	6.7
155.08568	7.4
156.09306	10.8
157.10112	31.6
158.10892	7.0
159.11665	31.4
161.09615	9.2
161.13210	9.6
163.11113	3.0
165.06975	9.6
169.10120	13.8
170.10884	13.3
171.11694	26.7
172.08836	4.4
172.12370	4.2
173.09605	5.6
173.13243	38.2
175.11203	8.4
175.14815	7.0
179.08519	5.5
180.09279	8.5
180.80737	2.8
181.10063	8.0
183.11627	9.3
184.12431	7.2
185.09554	4.6
185.13235	25.4
186.14005	6.4
187.11174	8.8
187.14787	17.4
189.12674	8.0
190.95280	6.0
191.14273	10.4
195.11688	16.4
198.10283	4.8
199.11165	7.6
199.14819	12.4
201.12683	4.5
203.14265	9.0
208.96326	3.7
209.13298	7.6
211.11282	2.6
211.14832	12.3
213.12718	22.4
213.16281	4.1
215.06215	7.6
221.13075	2.9
225.16188	3.6
227.14287	7.9
227.17924	3.1
229.15831	6.1
231.13818	12.2
239.14566	2.7
241.15904	3.9
241.19450	11.4
250.97453	3.8
251.03796	4.6
251.17964	8.7
261.09909	5.3
269.19012	63.4
273.09836	6.1
279.11075	3.3
287.05475	84.8
287.14050	5.9
287.16788	3.6
287.20004	100.0
287.23514	8.0
288.05820	5.6
291.10678	7.0
305.12424	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	287.2005
Annotation	CHEBI:70569
Peak:m/z	Relative Intensity
51.26658	1.4
53.03963	1.9
55.01874	2.2
55.05519	11.1
56.96546	4.2
57.07080	7.9
59.05005	3.1
67.05507	15.5
69.03408	5.4
69.07065	15.9
71.04986	5.7
71.36798	2.6
79.05486	17.0
81.07057	23.0
83.04991	2.3
83.08602	4.1
85.02907	1.6
85.06539	2.3
91.05479	19.8
93.07052	29.2
95.04973	19.4
95.08600	26.5
97.06538	10.5
98.97566	1.7
102.78023	1.5
105.07037	31.7
107.04940	5.8
107.08586	34.9
109.06528	9.6
109.10131	14.6
111.08067	3.0
115.05473	2.3
117.07030	10.9
119.08577	34.7
121.06506	5.6
121.10139	26.3
121.10914	2.6
122.21997	1.4
123.04426	1.8
123.08083	6.4
123.10690	1.3
123.11722	5.0
125.09644	4.4
128.06206	4.7
129.07010	10.1
130.07808	2.6
131.08578	28.5
133.10136	22.5
134.99625	1.7
135.08057	9.8
135.11688	10.0
137.09651	4.9
140.31538	1.6
141.06984	5.0
142.07785	10.3
143.08553	24.5
144.09360	6.4
145.06558	1.8
145.10115	30.0
146.10901	1.9
147.08034	8.0
147.11685	15.5
147.73593	1.5
149.09615	22.4
149.13232	5.3
151.07539	1.9
151.11147	3.9
153.01807	4.0
154.07803	1.8
155.08559	5.1
156.09373	11.8
157.10129	29.1
158.10890	7.5
159.08034	3.2
159.11687	27.6
160.02794	2.2
160.12408	2.0
161.05957	2.7
161.09657	6.1
161.13281	7.5
163.07544	2.1
163.11157	3.2
164.60556	1.5
165.07018	2.3
165.09088	2.5
165.12823	2.4
169.10158	9.2
170.10921	10.7
171.08009	2.4
171.11679	24.5
172.08908	2.7
172.12399	4.4
173.09618	4.5
173.13257	29.3
175.11209	4.7
175.14792	5.1
177.12845	2.6
179.08565	2.7
180.09346	3.2
181.10124	3.7
183.08057	1.6
183.11685	5.9
184.12450	2.9
185.09683	2.6
185.13269	22.4
186.14119	3.2
187.11151	7.3
187.14792	11.9
189.12729	6.7
190.95430	2.2
191.14297	5.9
193.09985	2.1
195.11644	8.2
196.12547	2.4
197.13237	5.2
198.10390	3.9
199.11162	5.2
199.14778	7.9
201.12709	2.9
201.16405	3.9
203.14368	9.0
208.12439	1.9
209.13232	5.8
211.14841	7.2
213.12750	16.8
213.16418	4.5
217.15739	2.1
218.11723	3.9
225.12840	1.8
225.16402	3.9
227.12033	2.0
227.14314	6.1
227.17961	5.7
229.15849	10.5
231.13858	12.6
232.96379	2.6
241.15884	2.9
241.19553	9.4
245.18964	2.7
251.17847	3.6
259.20575	1.9
269.19006	53.4
269.22260	2.7
287.05508	26.2
287.20078	100.0
287.23578	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	287.2005
Annotation	1-Methylestra-1,3,5(10)-triene-3,17beta-diol
Peak:m/z	Relative Intensity
53.03943	0.5
55.05503	3.1
67.05498	1.8
69.07050	2.2
70.41424	2.2
79.05495	7.1
81.07034	2.7
88.03401	0.5
91.05478	8.0
93.07048	4.2
95.04977	0.6
95.08607	1.2
97.06509	0.8
98.21410	0.8
103.05436	0.6
105.03407	1.2
105.07030	22.4
107.04969	2.0
107.08591	2.4
109.06506	1.2
117.07031	1.9
119.04906	1.5
119.08584	14.0
121.06506	6.1
125.05975	0.6
129.07018	1.7
131.08574	2.7
133.06508	1.6
133.10159	3.0
135.08052	1.0
142.07784	1.1
143.08513	1.1
145.06496	1.0
145.10132	4.2
146.07243	1.3
147.08046	7.7
147.11688	32.8
148.12029	0.6
156.22800	0.5
157.10110	3.5
159.08072	7.1
159.11653	1.2
160.08807	1.3
161.09630	3.5
171.11699	1.3
173.09592	1.6
173.13359	1.1
175.11186	100.0
176.11531	2.2
183.11774	0.6
183.91092	0.6
185.13298	1.2
187.11235	0.6
189.12662	0.8
195.11697	1.4
199.14830	0.8
201.12740	7.5
207.18134	0.5
209.13174	0.8
213.12787	1.2
215.14233	1.3
219.13928	1.0
227.14450	0.9
227.17842	0.7
231.13805	2.9
241.19550	0.9
245.15442	1.2
251.17882	2.4
269.16486	0.7
269.19070	5.6
287.05591	2.8
287.20050	87.5
288.20340	2.2
290.72696	0.5
304.32410	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2004
Annotation	(2E,4E,8E,10E)-Heptadecatetraen-6-yn-1-yn acetate
Peak:m/z	Relative Intensity
50.37806	2.0
51.02375	2.6
53.03938	3.3
55.01865	3.2
55.05303	1.9
55.05511	22.3
56.96563	12.3
57.03428	7.3
57.07070	5.3
65.03930	2.3
66.21968	2.0
67.05161	3.3
67.05500	40.6
69.03415	6.9
69.07063	30.7
69.29940	15.9
69.30366	6.7
70.04077	26.4
71.04987	6.6
79.05483	38.2
81.03397	3.0
81.07054	82.0
83.04971	9.1
83.08611	13.6
85.06535	6.8
91.05464	42.5
93.06462	4.2
93.07039	76.9
95.04969	12.8
95.08603	72.3
97.06528	8.2
97.10175	5.6
98.97567	15.1
98.98522	2.2
99.08079	2.7
103.05434	2.3
105.07023	80.0
107.04960	27.1
107.08590	73.2
109.06505	9.3
109.10148	53.5
111.08086	7.5
111.11659	2.1
115.05449	3.3
116.98626	20.8
117.07004	14.2
119.04926	2.5
119.08580	76.0
121.02892	3.0
121.06533	9.8
121.10136	100.0
123.08083	13.1
123.11709	15.7
125.09644	5.4
128.06229	4.1
129.07004	12.2
130.07777	3.6
131.08563	39.9
133.06477	3.6
133.10121	49.0
134.05980	2.6
134.99655	15.9
135.08047	6.3
135.11688	21.8
137.05981	2.7
137.09598	6.9
137.13184	4.3
139.11249	2.1
140.00177	2.9
141.07024	5.5
142.07764	10.3
143.08551	24.5
144.09315	6.4
145.10114	48.1
146.99649	2.4
147.08047	8.4
147.11676	33.8
148.12119	2.1
149.09613	17.8
149.13223	15.4
151.11188	4.1
155.08571	7.5
156.09334	8.3
157.10104	45.5
158.10886	5.3
158.99641	7.3
159.08073	4.2
159.11688	52.3
161.09644	6.8
161.13231	31.2
163.11160	5.2
163.14799	6.9
164.10695	3.1
165.09157	6.7
165.12791	3.0
169.10104	11.0
170.10852	5.7
171.08041	2.0
171.11713	31.4
173.09592	6.0
173.13261	41.6
175.11137	4.2
175.14775	11.5
177.00745	13.4
177.12721	5.0
177.16380	4.2
181.10049	4.7
182.11766	5.6
183.11725	6.9
184.12520	3.6
185.09663	3.2
185.13254	22.3
186.14009	3.0
187.11073	3.0
187.14839	15.6
189.12762	3.9
189.16377	7.6
191.02277	2.6
191.14342	5.0
195.11703	3.1
196.12502	3.4
196.68172	1.9
197.13202	3.7
198.13989	2.8
199.11171	3.4
199.14798	31.3
200.02208	2.3
201.10945	2.5
201.16373	14.9
203.14229	4.5
203.17953	6.0
205.15895	4.0
207.11713	2.2
209.13210	3.6
211.14784	9.5
213.12740	6.8
213.16370	38.3
215.17871	11.8
217.15828	4.0
217.19559	2.0
219.13770	2.3
225.16307	4.4
227.11789	4.6
227.14255	2.8
227.17960	10.7
229.16002	2.2
229.19495	30.5
231.13724	3.1
231.17444	5.8
241.13310	2.7
241.19479	13.9
243.17448	4.1
250.43243	2.2
251.17879	4.1
269.16290	3.4
269.19058	21.0
269.22647	50.1
287.05478	26.3
287.14633	16.2
287.20081	70.1
287.23679	92.0
287.96335	4.9
288.20505	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2003
Annotation	6-Dehydrotestosterone
Peak:m/z	Relative Intensity
55.01862	5.6
55.05512	27.8
56.96555	7.6
57.03420	6.9
57.07058	10.7
59.32597	4.1
65.03942	4.7
67.05499	52.2
69.03403	10.0
69.07069	37.0
71.05004	5.2
71.59999	4.0
71.60375	4.8
79.05486	40.9
81.07052	86.5
83.04996	8.1
83.08601	12.8
85.06548	4.4
91.05476	46.9
93.06468	5.5
93.07041	94.8
95.04960	43.5
95.08603	72.1
97.06506	21.7
97.10175	5.5
105.07031	70.1
106.06551	4.6
107.04947	12.1
107.08581	98.8
109.06517	15.7
109.10148	42.8
111.04469	4.3
111.08075	7.4
115.05354	3.9
117.07008	20.3
119.08570	66.8
121.06484	8.9
121.10130	61.0
123.08057	9.4
123.11692	16.2
125.09605	7.4
128.06183	9.9
128.36588	3.6
129.06990	10.6
130.07826	5.2
130.93291	4.1
131.08571	42.3
133.10132	52.2
134.06003	7.5
135.08063	7.8
135.11676	33.1
137.09602	4.4
141.07018	8.9
142.07779	12.0
143.08565	36.3
144.09337	10.7
145.10130	57.6
147.08031	10.7
147.11685	41.4
149.09624	27.6
149.13229	17.5
151.11218	5.5
152.06932	4.5
153.01813	6.3
155.08530	13.8
156.09311	17.0
157.10118	43.4
158.10887	8.9
159.08086	4.8
159.11681	46.0
161.05989	4.8
161.09576	7.9
161.13251	27.3
163.11143	8.5
163.14760	5.7
167.07335	4.7
169.10117	14.0
170.10884	13.9
171.11731	36.4
172.08882	3.8
172.94409	4.0
173.09610	5.1
173.13246	57.7
175.07620	4.7
175.11191	10.7
175.14786	9.2
180.09319	8.8
181.10162	4.4
183.11725	6.9
185.13252	27.8
186.13959	7.6
187.11157	12.0
187.14851	19.6
189.12744	14.4
189.16386	7.3
190.95403	4.7
191.14342	8.1
194.10947	3.8
195.11699	15.4
196.12436	4.9
197.13121	6.1
199.12386	5.4
199.14815	12.4
201.16376	11.5
203.14357	11.5
208.96405	8.1
209.13266	8.6
210.09166	4.7
211.14813	10.3
213.10828	5.6
213.12694	29.6
213.16380	14.8
225.16359	5.7
227.11816	46.6
227.14116	6.1
227.17949	9.2
229.15816	7.2
229.19545	10.3
230.65276	4.1
230.71947	4.3
231.13785	11.4
232.96451	5.4
241.13358	5.6
241.15811	6.3
241.19438	13.1
250.97639	4.8
251.17842	6.7
269.12927	5.2
269.19003	60.6
269.22546	19.5
273.09933	7.2
286.96014	4.2
287.05469	51.3
287.13785	42.1
287.16861	5.5
287.20050	100.0
287.23672	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	287.185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01867	20.1
55.05505	9.2
56.96552	1.3
57.03432	2.3
60.59335	0.6
65.03937	0.8
67.05495	17.7
69.03425	2.4
69.07043	3.0
71.04987	17.8
71.27240	1.1
73.02891	0.6
79.05486	8.8
81.03397	2.0
81.07051	10.9
83.04975	1.2
83.08625	3.5
84.04485	0.9
85.06538	3.3
87.04457	8.4
91.05476	5.7
93.07025	8.7
95.04959	2.3
95.08582	5.0
96.08155	0.6
97.02914	0.9
97.06519	100.0
97.10164	4.7
97.38579	0.6
98.97562	0.8
105.07050	3.5
107.04928	3.7
107.08591	5.7
109.06532	1.1
109.10147	12.7
109.10872	0.4
111.04476	0.9
111.08089	1.5
117.06989	3.5
119.08537	1.2
121.02852	1.6
121.06483	2.1
121.10140	1.9
123.04416	1.0
125.09625	3.4
131.08502	3.3
133.10101	3.1
135.08034	2.8
135.11690	2.2
136.07553	0.7
137.09596	2.8
147.11691	0.9
149.09605	1.0
149.13228	2.1
153.01849	1.6
158.97734	1.0
159.11662	2.2
165.12671	0.8
167.10609	1.3
167.14255	1.2
177.12718	5.1
195.13792	42.7
196.14191	1.0
213.14766	7.8
227.11925	1.0
230.57367	0.7
269.17453	5.5
273.09943	1.2
287.05490	16.6
287.13934	1.2
287.18491	30.6
288.05872	1.3
288.12283	7.7
288.18884	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
54.97761	3.3
55.01867	14.1
55.05514	32.6
56.96565	9.4
57.03433	33.2
63.00040	6.7
64.36877	3.7
67.05508	82.0
69.03436	4.3
69.07066	36.9
70.06573	14.6
70.95863	4.7
71.04984	13.5
71.58565	3.5
71.58994	4.0
72.08154	7.6
72.93784	14.5
79.05497	47.2
81.03400	5.2
81.07059	100.0
83.04966	8.5
83.08627	24.8
84.04510	4.6
84.08130	11.7
85.06540	9.4
86.09698	10.0
86.50555	3.3
89.84757	3.9
90.94840	8.6
91.05481	50.8
93.07048	81.5
95.04948	16.0
95.08607	41.3
97.06525	47.4
97.10130	9.9
98.98458	10.0
99.08085	7.3
105.07023	23.7
107.04948	24.3
107.08595	37.5
108.95860	4.2
109.06522	8.6
109.10157	12.3
111.08067	8.7
112.11237	4.8
115.05452	4.6
116.98572	4.2
117.07026	17.1
118.22835	3.3
119.08577	12.6
121.06512	58.8
121.10143	15.1
123.11668	5.0
129.06999	5.6
129.10242	5.1
131.04970	5.7
131.08557	25.9
133.06480	7.1
133.10127	18.6
134.99715	4.7
135.04401	4.2
135.08047	7.0
135.11678	16.9
145.10092	6.2
147.08063	3.7
147.11705	6.8
149.09608	5.9
149.12202	3.7
149.13263	37.3
151.11142	5.3
157.06436	4.6
157.10182	5.2
159.08113	5.2
159.11694	42.7
163.03949	6.9
169.06483	6.3
175.07544	18.6
175.11147	6.5
177.12744	24.6
185.09724	4.7
189.09015	3.8
190.95470	5.7
195.13835	25.9
201.03638	4.3
204.42856	3.9
208.96466	4.5
213.14740	6.9
244.08774	4.1
251.07330	11.2
257.08340	14.4
267.06699	5.4
269.08228	24.5
269.17505	49.5
272.08215	3.9
287.05478	9.1
287.10687	22.8
287.16382	17.9
287.18878	11.4
292.10059	4.2
305.10501	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	287.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24938	2.0
53.03943	3.4
55.01878	11.0
55.05270	2.1
55.05510	29.6
56.96559	2.7
57.03436	19.9
59.37355	2.0
65.03931	2.7
67.05502	73.5
68.99785	3.0
69.03423	6.9
69.07071	15.5
70.72379	6.6
71.04993	12.8
72.08166	4.6
79.05492	44.9
81.03428	3.0
81.07056	100.0
83.04979	7.4
83.08622	17.6
84.04492	2.4
85.06532	6.5
86.09722	2.0
87.04477	5.1
91.05480	27.5
93.07047	57.1
95.04969	9.3
95.08611	29.0
97.06531	49.7
97.10166	10.3
98.42227	1.8
98.98456	3.6
99.04469	2.8
105.07040	10.8
107.04967	10.8
107.08601	38.0
109.06506	5.3
109.10161	11.5
111.00910	1.8
111.08089	7.0
112.11230	3.2
115.05501	1.9
117.07009	10.3
119.08522	1.8
121.02856	5.7
121.06511	32.5
121.10146	11.5
123.11755	5.3
125.09613	4.5
131.08577	9.2
133.10132	13.5
135.08075	6.0
135.11694	13.9
138.03059	1.9
147.04341	2.5
149.13264	26.3
153.01836	6.5
157.06557	2.4
159.05034	3.0
159.11652	12.7
177.12738	11.3
195.13828	22.8
199.06047	2.2
213.05455	3.3
213.14861	6.4
269.17490	18.4
287.05496	56.5
287.10410	2.9
287.18515	27.0
288.05991	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	287.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	20.1
55.05511	15.9
56.96559	8.5
57.03446	4.8
63.00067	3.5
64.99730	2.2
67.05505	20.2
68.99775	2.2
69.03419	3.4
69.07055	7.1
69.81293	1.8
70.06584	6.1
70.92030	2.5
70.92358	4.1
71.04993	23.1
72.08138	4.1
72.83549	2.0
79.05498	14.3
81.03419	2.2
81.07056	15.7
83.04984	3.7
83.08614	7.0
84.04498	4.5
84.08143	10.3
85.06558	4.2
86.09692	5.5
87.04467	6.5
91.05466	11.5
93.07036	12.1
95.04963	2.7
95.08615	6.6
97.06533	100.0
97.10165	10.3
98.98490	3.5
100.11240	4.4
103.05504	3.1
105.07013	7.0
107.04961	12.8
107.08614	9.4
109.06590	2.4
109.10159	14.0
111.08062	2.4
112.11226	2.2
113.33992	2.1
117.07009	6.3
119.08566	3.3
121.02873	4.7
121.06511	43.3
121.10125	2.9
125.09660	6.5
128.10727	16.0
131.04961	3.4
131.08591	5.1
133.06502	2.4
133.10141	2.7
135.08109	2.9
139.22575	2.1
139.99043	2.0
141.07025	5.8
145.06601	1.9
149.13274	2.8
157.06494	2.0
159.11641	4.1
165.06950	1.8
177.12721	3.8
184.07404	2.5
190.95428	2.7
195.13802	34.2
213.05466	1.9
213.07939	4.2
213.14827	12.6
231.09052	10.8
244.08678	2.1
249.09958	9.6
259.11316	2.8
269.17560	6.4
287.05557	32.3
287.10681	4.6
287.18582	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	287.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12598	0.4
53.03938	0.5
55.01871	21.2
55.05511	10.5
55.68781	0.4
56.96571	1.0
57.03433	2.9
58.06598	0.6
63.00053	1.1
65.03938	0.6
67.05502	14.9
69.03419	1.9
69.03765	0.4
69.07070	4.0
70.06578	2.7
71.04990	16.8
71.57888	0.8
72.08147	2.1
75.04481	0.7
79.05489	11.4
81.03416	1.5
81.07054	11.1
81.32235	0.4
83.04970	1.7
83.08612	3.8
84.04522	1.2
84.08139	2.9
85.06535	3.0
86.09701	2.0
87.04462	6.7
91.05480	7.3
91.84748	0.4
93.07039	8.9
95.04963	2.5
95.08598	4.9
97.06527	100.0
97.10180	4.1
98.06879	1.4
98.98452	1.1
99.07362	0.5
103.05457	1.0
105.06998	2.6
107.04972	4.1
107.08592	6.4
108.05287	0.7
109.06520	1.2
109.10160	10.8
110.07162	0.8
111.08094	2.1
112.89752	0.5
113.06020	0.8
117.07036	3.4
118.98813	0.5
119.04946	0.9
119.08561	0.9
121.02903	0.7
121.06506	12.1
121.10138	2.9
122.06799	0.5
122.10458	0.6
123.04430	0.8
123.08047	0.8
123.11678	0.6
125.09631	3.2
126.74550	0.5
129.06998	0.9
129.10220	0.8
130.06528	1.1
131.04956	0.6
131.08540	3.7
133.10139	3.1
134.99640	0.5
135.08005	2.5
135.11670	1.9
144.08087	0.5
146.06067	0.6
147.11658	0.7
149.09668	0.8
149.13237	2.4
151.11154	0.6
159.11713	2.1
161.05908	0.5
161.91010	0.5
167.14354	1.2
175.07632	0.7
177.12744	3.9
189.11261	1.1
195.13803	33.9
196.14281	1.0
213.12827	0.7
213.14854	7.2
232.96545	0.5
237.02766	0.5
241.51718	0.5
265.08826	0.5
269.17526	3.7
287.05579	2.9
287.10544	1.0
287.15540	1.0
287.18564	19.9
305.94803	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.8
55.01850	0.7
55.10942	0.5
56.05017	0.6
67.05486	0.6
69.03423	0.6
69.07053	0.5
69.29903	4.2
70.06570	1.1
71.07370	1.3
72.04510	5.2
72.08140	0.5
74.00663	2.2
78.13462	0.4
79.05486	1.7
81.03419	0.8
81.07040	0.5
83.04980	1.1
84.04498	1.1
85.02905	0.5
85.22575	0.4
86.06047	0.9
86.09720	0.4
87.04461	0.5
87.06843	0.7
90.05553	10.6
91.05448	0.6
92.01700	15.9
93.00073	0.4
95.04990	1.9
98.06046	1.8
100.07606	6.9
101.07140	1.2
102.05515	1.6
107.04948	100.0
108.05286	1.5
110.02732	68.2
111.04446	0.5
114.09155	0.7
115.08700	1.4
116.09460	4.3
121.02869	0.5
121.10152	0.6
134.02702	35.1
146.02721	0.8
148.08458	0.6
149.09615	0.6
152.03757	15.5
160.28867	0.4
163.04060	0.8
163.05351	7.2
164.03746	2.7
180.71936	0.4
181.06403	99.8
182.06688	1.1
216.06873	3.8
240.06787	0.4
252.15988	0.8
287.05957	2.4
287.10605	24.6
287.14307	2.1
288.10999	0.7
288.17944	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.1
55.05505	12.7
56.05040	16.6
56.96549	4.1
57.03448	3.1
58.06599	2.8
60.04506	4.3
63.00029	5.6
64.99729	4.0
67.05500	43.0
68.05030	7.0
69.03413	3.5
69.07060	7.0
70.02959	27.7
70.06592	70.5
70.71847	5.8
70.72211	5.8
71.04976	5.8
71.06925	13.1
72.08150	23.7
73.02917	4.9
74.06019	3.7
75.05581	3.0
78.01807	6.8
79.05491	13.2
80.05013	9.4
81.03441	4.7
81.07053	15.6
82.02957	4.1
82.06557	8.7
84.04500	18.1
84.08154	43.5
85.02927	5.6
86.09708	31.5
87.05583	27.5
87.92293	2.5
88.03979	8.9
91.05466	17.2
92.00834	2.7
93.07029	15.3
94.06584	6.7
95.04969	3.2
95.08600	25.9
96.04498	17.3
96.08164	4.1
98.02404	3.1
98.06045	6.0
98.98458	5.7
99.00793	3.8
100.03986	6.2
102.05508	4.3
107.04956	31.6
107.08597	5.0
108.04504	39.8
108.05249	7.0
109.06526	3.0
109.10148	41.0
110.06070	4.8
110.07139	11.7
110.09714	3.2
116.07072	3.2
119.08569	11.8
120.08126	9.4
121.06504	61.6
122.06021	9.1
122.09721	3.0
124.03919	3.7
125.00027	3.4
126.05509	4.2
127.08665	9.3
128.09016	7.9
129.10231	14.9
134.09636	5.0
135.08043	10.1
136.07578	6.4
136.11211	20.2
137.09610	38.0
138.12837	4.1
154.12279	24.4
162.12762	8.1
164.01772	3.2
164.10719	20.4
166.12300	5.2
172.13326	33.1
173.11740	11.5
175.11821	3.7
178.12257	25.4
180.13820	41.8
181.04424	7.5
182.11761	18.1
184.07365	4.6
184.13301	7.8
185.03870	3.3
188.10684	14.3
196.13414	3.2
198.14853	6.4
206.11760	100.0
208.13310	3.6
210.11259	12.3
223.14481	7.1
224.12816	99.8
227.07004	3.7
228.12273	8.0
241.15427	26.3
242.13873	20.2
243.17104	4.9
252.12199	5.7
269.15005	3.8
287.05392	9.7
287.16013	92.4
287.19089	5.9
287.23651	2.8
288.20361	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	287.0912
Annotation	2',4',6'-Trihydroxy-4-methoxychalcone
Peak:m/z	Relative Intensity
55.01880	0.9
55.05500	0.8
56.96560	0.6
57.03421	0.4
59.70552	0.4
60.79515	0.3
67.01863	7.6
67.05508	1.0
68.99786	3.7
69.03423	2.2
69.07053	0.5
69.55499	3.2
70.03514	0.3
70.06589	0.6
71.04974	0.5
79.01853	0.3
79.05501	3.2
81.03390	0.9
81.07063	1.8
83.01348	1.1
84.08177	0.5
86.09701	0.5
91.05472	1.6
93.07047	1.3
94.04207	0.4
95.04964	1.0
95.08607	0.8
97.02861	1.7
97.06550	1.0
98.98463	0.5
103.05458	1.5
105.07032	3.4
107.04918	0.9
107.08615	1.1
108.05279	0.4
109.06499	2.0
109.10146	0.8
111.00789	0.5
115.05418	0.5
118.04196	2.0
119.08573	1.3
121.06502	10.6
121.07367	0.6
121.10103	0.5
123.04462	0.7
125.00013	0.6
125.02338	0.9
127.03926	0.7
129.01814	0.6
131.04945	0.5
131.08600	0.6
132.05666	0.5
133.06487	19.9
133.10129	0.6
135.04466	0.7
135.08057	3.8
135.11646	0.4
137.05971	2.2
145.10146	1.3
147.11630	0.5
153.01823	100.0
154.02177	0.7
159.11629	0.7
161.05974	42.2
171.02881	35.5
175.07555	1.2
177.09201	0.4
179.03421	2.6
184.07199	0.4
190.95389	0.6
199.14784	0.4
201.16418	0.8
203.06999	0.8
219.43405	0.4
241.09953	0.4
245.08253	0.4
252.42180	0.4
269.22556	0.9
270.14832	0.7
287.09103	51.8
287.23596	1.3
288.09293	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
55.01869	1.2
55.05508	1.0
55.42432	0.2
56.96547	0.6
57.03428	0.4
58.67697	0.2
61.20672	0.2
64.34952	0.2
65.03903	0.2
67.01857	0.4
67.05502	1.3
68.99788	2.1
69.03410	0.3
69.07047	0.5
69.52795	0.7
69.53219	0.7
70.06596	0.2
71.01354	0.2
71.04993	1.1
73.02917	0.6
79.05495	1.4
81.03397	0.6
81.07041	0.7
83.08608	0.4
85.02875	0.4
86.09711	0.2
87.04438	0.5
87.05581	0.2
91.05466	0.7
93.07030	0.7
95.04969	0.5
95.08599	0.6
97.06522	5.3
97.10177	0.3
98.97567	0.3
103.05463	0.3
105.03365	0.9
105.07020	0.4
107.04935	1.4
107.08572	0.7
108.04444	0.3
109.02827	1.0
109.10152	0.8
111.00799	1.3
111.04449	0.5
115.05431	0.2
116.98621	0.6
117.07003	0.3
119.04919	0.2
119.08572	0.4
121.02859	7.6
124.07588	0.4
125.09627	0.3
127.03903	0.4
129.06992	0.4
131.08556	0.2
133.02812	0.9
133.10127	0.2
134.99643	0.3
135.04431	0.4
135.08087	0.2
136.11169	0.2
137.02327	2.1
137.09610	0.4
139.05424	0.3
141.06984	0.3
145.06439	0.5
147.04378	1.7
153.01817	11.2
154.02193	0.2
156.72287	0.2
157.06512	1.5
161.05995	0.4
164.14429	0.2
165.01820	3.4
171.02910	0.2
171.04411	0.6
175.03900	0.2
177.12685	0.3
180.13765	0.3
183.02867	1.6
185.05951	1.2
189.05351	0.2
195.13844	1.9
197.05910	0.3
201.00613	0.3
206.11775	0.5
206.88988	0.2
213.05446	3.1
213.14763	0.5
219.01711	0.3
224.12750	0.5
229.04921	0.6
231.06517	1.4
241.04913	1.6
245.04735	0.9
258.05240	2.4
259.05914	1.0
263.05679	0.2
269.04459	0.4
269.17401	0.5
287.05481	100.0
287.18158	1.0
288.05820	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93518	5.8
56.96556	8.9
58.11861	6.8
61.57002	5.5
69.03447	5.6
70.02922	8.2
70.06572	21.6
70.73315	6.0
71.01384	9.2
71.01701	8.4
72.08131	7.6
72.93774	13.0
74.02442	8.3
76.83392	6.2
78.30206	5.6
79.05499	7.0
80.05009	6.4
82.06567	6.5
84.04488	15.3
84.08133	15.2
86.09693	8.2
91.13586	5.7
95.04985	7.6
98.97597	6.9
103.49467	6.3
106.06548	11.2
107.04942	26.8
110.06028	7.1
113.96288	7.2
117.05769	11.0
118.06548	11.2
119.01923	100.0
122.06037	12.3
126.05480	11.1
130.06528	26.4
132.08049	35.4
132.95810	8.8
134.06030	14.1
136.07582	7.7
137.02950	77.3
146.05994	8.0
149.07114	12.0
149.40335	6.9
150.05469	18.7
150.96846	13.3
155.97458	11.3
161.07065	10.9
162.05429	15.5
170.05988	9.9
171.09163	6.7
173.98419	8.0
178.05019	14.0
196.06013	15.9
198.10187	7.0
205.06027	8.9
205.90315	6.5
206.04346	7.6
207.07593	12.8
220.08124	9.7
223.07083	20.0
224.08121	8.8
241.08099	9.3
242.09117	7.2
244.08224	18.5
248.18961	6.1
269.07773	8.7
270.06058	33.5
287.05966	35.0
287.08649	34.7
287.11566	15.0
287.15231	10.0
288.07141	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	287.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.1
55.01869	0.2
65.03927	0.4
67.01853	0.3
68.99429	0.2
68.99786	2.3
69.03407	0.2
71.01325	0.2
71.55950	0.2
79.05483	0.7
81.03402	0.3
81.07005	0.1
82.32594	0.1
91.05434	0.2
92.13326	0.1
93.03402	0.2
95.04954	0.4
97.02863	0.2
103.05436	0.2
105.03381	0.8
105.95868	0.1
107.04946	1.1
109.02847	0.8
111.00801	1.4
111.04434	0.3
115.05494	0.2
117.06960	0.1
119.04925	0.2
121.02857	6.8
121.06490	0.1
127.03904	0.3
128.06148	0.2
129.06961	0.3
131.04875	0.2
133.02852	0.8
135.04445	0.5
136.07542	0.4
137.02328	2.2
141.06972	0.3
145.06509	0.7
147.04401	1.4
151.03828	0.1
153.01816	11.1
154.02199	0.1
157.06467	1.2
160.05273	0.1
161.05919	0.5
163.03896	0.1
164.07034	0.2
165.01825	3.9
171.04373	0.8
175.03908	0.2
181.94218	0.1
183.02879	1.8
185.05980	1.1
189.05466	0.3
190.02435	0.1
197.06090	0.2
199.03961	0.1
201.05440	0.2
203.03439	0.2
203.07056	0.4
212.04776	0.1
213.05437	3.2
217.04919	0.1
229.04990	0.5
231.06445	1.2
231.08549	0.1
241.04922	1.7
243.06502	0.3
257.04520	0.1
258.05240	2.6
259.06049	0.9
269.04480	0.4
287.05466	100.0
288.05814	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	287.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.2
55.01863	0.3
55.05500	0.4
57.03424	0.1
60.38953	0.2
65.03942	0.3
67.01844	0.5
67.05495	0.3
68.99789	2.5
69.03419	0.5
69.29887	1.4
70.06551	0.2
70.29530	0.1
71.01365	0.2
71.04977	0.4
79.01842	0.1
79.05488	0.9
79.79488	0.1
81.03416	0.5
81.07058	0.3
81.55654	0.2
84.08140	0.2
87.04411	0.2
91.05461	0.5
93.07023	0.3
95.04960	0.4
97.06530	1.6
103.05473	0.3
105.03408	1.0
107.04946	1.4
107.08539	0.2
109.02872	0.8
109.10146	0.2
111.00798	1.7
111.04408	0.4
117.07044	0.2
119.04947	0.2
121.01979	0.3
121.02866	7.0
121.03840	0.3
121.10092	0.3
127.03855	0.2
128.06259	0.2
129.06985	0.5
131.08575	0.2
133.02864	1.0
135.04370	0.5
137.02344	2.4
141.06926	0.3
145.06494	0.5
147.04431	1.2
151.03891	0.2
153.01822	11.5
154.02151	0.2
157.06479	1.3
161.05988	0.5
165.01846	3.8
165.10283	0.2
169.06470	0.2
171.02980	0.3
171.04411	0.7
175.03822	0.2
183.02901	1.9
185.05971	1.3
189.05463	0.3
195.13889	0.3
197.05925	0.3
201.62527	0.2
203.03481	0.2
203.07065	0.2
213.05460	3.2
213.14827	0.3
216.04323	0.2
229.04944	0.5
231.06509	1.3
241.04974	1.3
242.05576	0.3
243.06500	0.3
258.05246	2.1
259.06076	0.8
269.04425	0.6
287.05487	100.0
288.05804	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	287.0548
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03938	0.2
53.31013	0.1
55.01852	0.2
65.03925	0.4
67.01839	0.4
68.99435	0.2
68.99781	2.5
69.03409	0.4
69.84137	0.4
69.84555	0.2
71.01304	0.1
77.03958	0.1
79.05480	0.7
81.03382	0.3
83.01305	0.1
91.05475	0.2
94.04155	0.1
95.04961	0.5
97.06516	0.1
98.21414	0.1
102.59256	0.1
103.05463	0.2
105.03367	1.0
107.04953	1.3
109.02875	0.9
111.00798	1.7
111.04432	0.6
115.05426	0.2
116.02888	0.1
117.06999	0.1
119.04900	0.2
121.02851	6.9
121.03842	0.3
121.06475	0.1
127.03893	0.3
128.06187	0.2
129.06981	0.4
133.02831	1.0
135.04382	0.4
137.02322	2.4
141.06989	0.4
145.06465	0.7
147.04398	1.6
149.02292	0.1
151.03925	0.1
153.01813	11.5
154.02185	0.1
155.06078	0.1
157.06471	1.5
161.02368	0.1
161.05939	0.5
165.01817	4.0
169.06461	0.1
171.02957	0.2
171.04344	0.8
173.05836	0.1
175.03882	0.2
175.07492	0.1
183.02870	1.9
184.05174	0.1
185.05942	1.2
189.05453	0.4
194.02090	0.1
195.04446	0.1
195.13733	0.1
197.05949	0.3
199.03864	0.2
201.05479	0.1
203.03362	0.2
203.06981	0.4
207.94901	0.1
212.04643	0.1
213.05443	3.4
214.06000	0.1
216.04219	0.2
217.04840	0.2
223.03967	0.1
229.04907	0.4
231.06479	1.5
241.04904	1.4
243.06557	0.3
245.04305	0.1
258.05215	2.3
259.06015	0.8
259.14301	0.1
263.05566	0.1
269.04404	0.4
287.05457	100.0
288.05771	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	286.993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.17749	1.7
66.42074	2.1
70.59248	6.2
82.17377	1.8
91.11893	2.0
91.48927	2.1
94.93018	11.8
104.16774	1.8
106.61716	2.2
112.89603	21.2
114.89320	13.4
135.19267	1.9
136.94016	22.8
150.95587	44.3
166.95113	3.0
176.93512	100.0
178.95029	18.3
188.93495	29.3
226.97986	4.2
246.49380	2.3
252.90436	2.6
268.98236	16.6
286.99323	16.9
287.94354	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	287.0549
Annotation	Fisetin
Peak:m/z	Relative Intensity
53.03934	0.2
55.01870	0.2
56.96556	0.1
65.03928	0.4
67.01846	0.4
67.05499	0.2
68.99435	0.1
68.99780	2.0
69.03416	0.3
69.07069	0.1
70.06561	0.2
71.01347	0.1
72.08157	0.2
75.73731	0.1
77.03939	0.1
79.05485	0.8
81.03396	0.4
81.07009	0.1
83.04962	0.2
85.06572	0.1
91.05470	0.4
93.07051	0.2
95.04964	0.6
97.02910	0.2
97.06523	0.3
98.97584	0.2
103.05470	0.1
105.03377	1.0
107.04946	1.4
107.08530	0.1
109.02854	0.8
111.00793	1.5
111.04424	0.5
115.05475	0.2
116.98623	0.1
117.06992	0.1
118.33556	0.1
119.04951	0.2
121.02856	7.3
121.03844	0.3
121.06523	0.2
123.04453	0.1
124.72715	0.1
127.03913	0.4
128.06157	0.2
129.06984	0.4
131.08542	0.1
133.02837	1.1
133.06483	0.2
134.05952	0.1
135.04404	0.4
136.07576	0.1
137.02333	2.2
141.06967	0.3
145.06477	0.8
147.04384	1.6
149.05896	0.1
151.03888	0.3
153.01814	11.2
157.06464	1.5
161.05931	0.4
163.03975	0.1
164.07068	0.1
165.01817	3.3
167.04889	0.1
169.06470	0.2
171.02977	0.2
171.04420	0.7
173.05920	0.1
175.03952	0.2
175.07484	0.2
179.03484	0.1
183.02870	1.9
183.04482	0.1
184.05048	0.1
185.05914	1.2
189.05429	0.2
195.13835	0.1
197.05949	0.2
199.03897	0.1
201.05382	0.1
203.03453	0.2
203.07097	0.1
212.04567	0.2
213.03401	0.2
213.05452	3.5
216.04262	0.1
217.04927	0.1
229.04906	0.5
231.06502	1.4
241.04927	1.7
242.05588	0.2
243.06505	0.2
245.04448	0.1
257.04282	0.1
258.02527	0.1
258.05222	2.1
259.06042	0.8
269.04434	0.4
269.12778	0.2
287.05463	100.0
288.05826	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	286.625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11341	2.9
50.45387	2.7
54.60055	3.3
55.05503	21.9
55.93511	5.0
56.05042	3.2
57.03421	4.5
57.07069	12.3
58.06599	22.3
60.08161	15.1
62.06086	8.0
66.99958	2.8
67.05176	4.3
67.05502	45.2
68.05831	3.6
69.07061	14.1
70.95866	5.6
71.07365	15.8
71.08630	13.2
71.59806	3.5
71.60178	3.7
72.08950	2.7
72.93797	11.6
79.05492	43.2
81.03381	4.1
81.07066	28.4
82.07373	3.8
85.10204	5.2
86.09705	100.0
87.04485	6.4
90.94820	8.9
91.05490	40.1
93.07045	40.3
94.57790	3.2
95.04976	8.7
95.08617	24.6
97.10180	3.4
98.98463	10.4
99.90903	3.0
101.97050	3.5
104.10739	53.5
105.07018	13.3
107.04972	13.6
107.08581	12.9
109.10157	7.3
117.07023	6.0
118.03146	2.9
119.08627	6.8
121.06518	38.2
121.10152	8.7
125.00006	54.8
131.08585	5.9
133.10109	4.1
135.11708	6.7
146.97383	5.4
147.11684	3.4
156.51845	6.7
159.35577	2.7
164.38741	2.9
164.99896	4.2
165.02591	4.4
165.52327	5.3
174.18501	4.5
181.02667	12.8
184.07338	80.0
187.09657	3.5
187.92726	5.0
188.92438	22.4
196.93004	6.2
205.93837	4.2
212.23633	3.4
213.94307	8.9
214.93996	52.6
224.10518	4.7
226.94171	3.9
230.24779	25.1
231.95454	5.0
232.95009	4.1
240.09998	44.4
249.10893	3.4
249.60834	11.5
252.95819	7.3
255.00746	6.2
256.00320	65.2
270.96628	4.8
273.01761	4.6
274.01401	12.7
277.61942	5.5
281.10028	3.7
286.12341	4.5
286.24673	5.7
286.27716	8.4
286.30984	71.2
286.62579	24.4
287.05530	14.6
287.12708	9.4
287.31311	9.6
297.03101	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	286.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.9
56.05027	1.1
57.03428	0.9
57.90057	0.6
59.04992	2.6
61.02923	4.8
68.05019	1.7
70.06584	5.2
70.10913	1.7
70.11303	1.3
71.04988	5.1
79.05486	2.5
81.04536	1.1
81.07051	12.2
82.05309	1.8
83.06099	10.7
85.56064	0.6
87.08110	0.6
93.04522	9.1
94.06594	0.5
95.06085	15.3
97.12048	0.5
98.20838	0.7
99.08096	0.7
101.59711	0.6
107.06066	2.6
110.07157	100.0
111.05582	1.9
111.07524	1.0
112.06952	0.7
112.07607	4.4
112.08717	1.6
113.09659	0.6
119.06068	0.8
121.07636	2.1
140.07056	2.4
154.07295	1.0
156.07684	11.1
163.12291	46.7
166.06097	2.6
169.83604	0.7
190.13380	6.9
193.13260	1.3
208.14432	9.1
210.16092	1.1
212.15230	0.9
219.11336	2.0
236.13966	7.6
240.17041	7.2
254.14986	17.5
268.16626	0.7
286.17590	64.3
287.17920	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.3103
Annotation	ES-285
Peak:m/z	Relative Intensity
52.66539	0.3
55.05491	0.7
57.07071	11.7
58.06596	2.0
60.04536	0.4
62.06087	6.6
67.05500	0.6
67.71745	0.4
69.07056	0.9
70.30891	1.3
71.08626	6.9
72.08141	1.0
79.05496	0.4
81.07026	0.5
85.10167	1.4
86.09715	0.4
87.04446	0.7
91.05435	0.8
93.07038	0.5
95.04961	0.4
95.08568	0.4
105.07009	0.5
107.08583	0.7
109.10165	0.5
111.44866	0.4
119.08553	0.8
121.06485	0.6
121.10121	0.5
123.08073	0.3
131.08554	0.8
131.32056	0.3
145.10080	1.0
156.17479	1.6
157.10095	0.5
159.11638	0.5
168.37325	0.4
169.10066	0.5
174.18510	5.2
212.23705	6.7
215.02518	0.7
217.02254	0.5
217.52687	0.3
230.24774	31.5
231.25214	0.8
237.16168	0.4
285.96567	0.5
286.18912	1.3
286.31015	100.0
286.95990	1.6
287.05472	1.4
287.20087	0.8
287.31274	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	286.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.3
55.01865	8.2
55.05504	28.7
56.04782	4.8
56.05031	57.3
57.03431	10.0
62.15107	4.5
67.05191	5.9
67.05499	38.7
67.12616	4.6
68.05007	17.4
68.05821	5.7
69.03408	7.9
69.07047	18.0
70.06588	42.5
71.04992	9.2
72.08144	8.4
76.03979	30.2
78.17645	4.1
79.05490	34.0
80.04986	18.8
80.05845	4.1
81.03414	96.1
81.07048	48.3
82.02920	8.0
82.03728	20.6
82.06554	13.3
82.10741	4.9
83.04965	23.8
83.08616	36.5
84.04491	17.8
84.08097	6.5
85.02905	8.1
86.09711	9.4
88.03996	5.2
91.05467	62.3
92.05770	4.6
93.07022	39.2
94.06572	7.7
95.04965	38.9
95.08588	34.2
96.05254	5.5
96.08113	9.0
97.06540	7.8
97.10215	6.0
98.06059	15.4
102.05533	7.1
103.05444	7.6
105.07018	25.2
107.04925	23.1
107.08565	15.5
109.06545	8.5
109.10127	10.5
111.08071	16.5
114.05526	9.2
116.07092	35.2
119.08560	16.8
120.08913	6.2
121.06496	69.9
121.10133	14.2
123.04269	5.0
126.05428	6.8
129.06976	8.4
129.10233	6.1
130.05000	12.0
131.08524	14.0
133.10101	13.4
138.05550	6.9
138.09138	25.3
138.12769	7.8
147.11671	12.1
149.09598	17.3
150.12779	17.1
157.10088	16.2
158.10519	5.1
166.08624	35.6
166.16035	4.5
175.11189	17.6
176.11490	5.8
178.12260	24.4
185.09230	10.4
193.12234	66.7
194.12541	20.1
196.13315	80.0
196.16946	8.2
198.14909	10.8
211.13269	100.0
212.13577	5.7
212.16452	9.5
214.14325	15.6
216.16074	4.4
222.14877	13.8
224.12776	24.8
229.19208	5.2
240.15921	78.8
240.23347	4.9
242.13875	44.4
242.17470	9.9
250.14461	4.8
259.89307	4.8
268.15533	34.9
268.18793	5.1
281.00677	4.7
286.10751	7.0
286.13745	7.2
286.16516	58.3
286.20050	23.3
287.05447	18.9
287.14352	24.2
304.09357	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	286.1437
Annotation	Carbazomycin D
Peak:m/z	Relative Intensity
55.01866	0.6
57.03407	0.7
67.05504	0.9
68.90227	0.5
68.99757	1.1
69.91222	2.8
70.06573	0.8
71.48589	0.6
79.05467	1.6
81.03387	0.9
82.03757	0.6
84.04510	1.1
85.02908	0.9
87.04440	0.6
91.05470	4.2
95.04948	1.4
97.06501	0.8
105.07015	0.7
106.39334	0.5
107.04926	1.9
111.00759	0.8
117.05703	0.7
118.06558	0.7
121.02852	3.2
121.06509	0.9
136.07570	5.3
137.02356	1.6
138.05478	2.0
147.04364	0.7
153.01837	5.6
155.07166	0.8
157.06494	1.3
165.01840	1.8
167.07310	19.5
168.08105	7.6
179.08505	1.7
180.08086	12.2
181.08832	6.6
183.02884	0.9
194.09671	4.7
194.12476	0.6
195.10278	0.7
196.11211	73.9
197.11584	1.1
198.09200	0.6
213.05466	1.1
214.12263	42.1
215.12701	0.7
231.06540	0.7
242.11768	8.1
258.05261	1.0
286.14377	100.0
287.05499	56.1
287.14581	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	286.1437
Annotation	Carbazomycin D
Peak:m/z	Relative Intensity
53.24683	0.6
55.05504	1.0
57.03428	1.5
58.53303	0.6
67.05485	1.1
68.05799	0.8
68.99786	1.0
69.03400	0.7
69.07050	0.6
69.64050	3.9
70.04079	0.9
70.06584	0.9
72.54593	0.6
79.05487	2.1
81.03410	3.2
81.07052	1.3
82.03733	0.9
83.04924	0.8
84.04495	2.0
85.02886	1.3
88.93246	0.6
88.97417	0.6
91.05493	4.1
93.07036	0.8
95.04957	1.2
96.05261	0.9
97.02866	0.6
107.04926	2.3
117.05768	1.5
118.06538	1.3
119.08587	1.0
120.08912	0.6
121.02854	3.2
121.04020	0.6
121.06411	1.1
121.10143	0.7
129.06998	0.9
136.07559	5.0
137.02286	1.3
138.05501	2.1
147.04315	0.7
153.01826	5.5
154.06393	0.5
157.06479	0.8
159.04926	0.7
165.01866	1.4
167.07291	19.0
168.08070	7.2
170.24619	0.6
176.11530	0.7
179.08546	1.8
180.08060	13.1
181.08868	5.8
183.02800	1.0
183.09270	0.5
183.13693	0.5
185.09218	0.9
193.12169	1.4
194.09651	5.6
194.12622	1.2
196.11200	65.9
197.11519	1.4
198.05840	1.0
198.09122	0.9
212.13701	1.1
213.05537	0.9
214.12253	40.8
215.12508	0.8
242.11740	8.9
258.05103	1.2
260.08887	1.1
286.14365	100.0
287.05484	46.2
287.14685	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48076	1.1
55.01876	1.8
56.42242	1.1
57.03431	3.0
61.02922	1.6
61.34262	1.2
69.03423	2.2
69.94698	6.7
70.03023	1.2
70.06611	6.0
72.08141	2.0
73.02910	1.5
81.07063	1.2
82.04053	2.2
83.06127	1.9
84.04489	2.6
84.08114	3.4
85.02895	2.6
88.13792	1.2
95.06086	1.5
97.02882	1.5
109.05125	14.7
110.03535	3.3
110.07168	16.4
111.06687	1.2
112.05102	4.3
119.03568	4.0
121.05124	2.7
124.03973	7.9
125.04530	1.4
126.07762	32.0
127.06153	6.4
129.10263	1.8
133.04944	1.6
136.06172	14.8
137.04590	40.3
137.06905	1.2
138.07767	7.4
150.07785	1.9
151.06183	1.9
154.07237	100.0
155.05681	2.1
156.07642	1.5
163.12337	9.7
166.07275	2.9
168.08878	1.3
190.13374	1.9
196.08270	3.7
204.08788	1.5
208.14511	1.4
226.09285	2.1
250.09438	2.8
254.14986	3.9
258.11938	2.3
268.10413	3.5
286.11462	25.5
286.17563	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	285.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07537	0.7
55.05303	0.8
55.05512	9.2
56.11980	0.7
57.03154	1.5
57.03440	35.6
57.07077	87.6
63.00042	1.4
67.05508	19.8
69.07067	20.6
71.04996	1.7
71.08633	58.3
71.58983	1.3
72.08146	1.0
75.04475	1.2
79.05479	1.9
81.03376	0.8
81.07060	23.5
83.04984	1.0
83.08624	9.3
85.06525	1.5
85.10185	29.6
89.06046	5.3
91.05446	1.2
93.07049	2.9
95.04948	1.0
95.08609	38.8
97.06547	1.1
97.10167	7.5
98.98450	1.7
99.11726	1.8
103.07580	4.3
105.07038	1.7
107.04962	1.7
107.08616	1.5
109.09465	1.2
109.10160	15.9
111.11720	5.1
117.09142	1.3
121.10175	1.1
123.11725	7.8
133.10106	1.0
137.13255	2.8
151.03944	2.6
161.05923	1.2
172.95251	2.5
190.96333	3.8
193.19537	1.8
211.20584	9.3
228.97801	1.5
229.21613	8.6
239.18097	1.0
246.98917	2.9
247.22701	1.5
270.24280	1.4
285.24261	100.0
285.29678	3.7
286.24704	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2422
Annotation	Tanikolide
Peak:m/z	Relative Intensity
55.05510	13.6
57.03155	1.7
57.03437	33.5
57.07076	92.2
57.97493	1.0
65.03938	1.0
67.05180	1.5
67.05508	18.5
69.07068	22.0
70.87978	1.1
71.08633	52.8
71.43730	2.8
75.04481	1.6
77.20728	0.9
79.05481	2.7
81.07057	23.8
83.04965	1.1
83.08618	8.4
85.10180	29.2
89.03613	1.1
89.06050	5.6
91.05500	5.3
93.07031	4.2
95.05001	1.5
95.08607	36.9
97.10173	6.6
101.06031	1.2
103.07599	5.4
105.07003	5.5
107.08571	2.7
109.10157	16.1
111.11720	5.0
117.07017	3.9
117.09117	1.5
121.06533	1.9
121.10172	1.1
123.11696	7.5
130.07744	1.5
131.08524	2.3
133.10057	1.2
137.13260	2.3
143.08597	2.8
145.10158	6.1
147.08037	5.2
151.03894	1.8
154.94188	2.0
157.10092	1.3
158.07341	1.3
159.08087	1.5
172.95242	3.6
173.09634	17.0
175.11156	1.6
178.22134	1.1
190.96323	3.0
193.19545	2.0
203.05414	1.1
211.11060	1.4
211.20534	9.2
223.14841	1.2
228.97949	1.8
229.21632	9.7
246.99011	2.6
249.16234	1.7
267.17404	5.6
285.15396	2.5
285.18805	17.9
285.24243	100.0
286.24796	1.7
286.31012	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2212
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
50.15624	10.7
55.05490	21.3
56.65511	9.2
57.53454	8.5
63.99643	11.5
67.05505	24.4
69.07056	55.8
69.42159	97.5
69.62069	9.3
71.04960	12.2
79.05486	13.4
81.07034	24.6
83.01887	9.6
83.08601	14.0
91.05470	20.9
93.07040	35.3
95.08592	49.4
97.06509	15.1
105.07027	61.4
107.08588	32.5
109.06512	36.1
109.10165	30.7
111.08089	10.8
119.08585	100.0
121.06512	12.8
121.10115	38.9
123.11700	23.4
133.10124	50.6
135.11690	15.3
145.10130	26.7
147.11656	24.3
155.08537	11.6
157.10167	14.5
161.09610	80.0
173.13254	12.6
175.14816	80.9
177.16341	18.7
183.11580	13.7
211.14774	20.1
267.21042	19.1
285.22150	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.7
55.01861	5.9
55.05505	22.5
57.03431	31.5
57.07058	3.8
65.03941	3.0
67.05498	34.6
69.03425	5.4
69.07063	15.7
70.02601	6.5
70.03001	4.3
71.04979	5.9
75.37753	2.3
79.05484	26.9
81.03410	100.0
81.07046	50.0
83.04964	13.8
83.08610	32.7
85.02895	45.8
85.06507	2.8
91.05466	37.5
93.07043	17.6
95.04963	34.2
95.08598	14.0
97.02879	7.1
97.06529	5.8
97.10178	4.3
99.08071	3.2
105.07017	30.6
105.07672	2.7
107.04957	7.4
107.08588	15.3
109.06512	6.0
109.10128	7.8
111.04435	4.9
111.08057	17.5
113.06008	4.3
115.05436	3.7
117.06982	2.9
119.08562	27.3
121.06451	2.5
121.10117	13.5
123.08045	3.8
123.11684	9.1
128.06166	2.1
129.05467	2.4
129.06987	10.5
131.08556	16.9
133.06462	2.8
133.10121	12.4
135.11649	3.4
137.09616	5.1
142.07787	3.6
145.10121	5.2
147.07997	4.3
147.11670	33.2
149.09612	8.2
153.42465	2.4
157.10141	18.2
159.07964	4.9
165.07045	5.6
165.12743	10.3
166.07333	7.8
173.13229	2.2
175.11177	25.2
178.07700	9.8
179.08452	33.8
180.08914	37.5
181.09622	11.0
185.13240	2.0
193.12221	85.3
211.13261	51.0
215.06252	13.9
216.06558	50.8
217.05840	26.4
229.14409	6.0
240.23201	14.7
267.15921	6.2
276.80597	2.1
285.16769	39.9
285.28958	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	285.1696
Annotation	Botryaloic acid
Peak:m/z	Relative Intensity
53.03950	4.2
55.01865	4.3
55.05515	18.9
57.03186	2.7
57.03437	35.1
57.07080	2.1
63.00030	3.4
65.03938	2.1
67.05505	28.2
69.03416	5.3
69.07073	9.3
69.50618	1.6
70.12921	7.9
70.13323	4.3
71.04990	8.9
79.05493	28.8
81.03422	100.0
81.07056	35.0
83.04990	12.0
83.08623	28.8
85.02905	56.8
85.06555	3.4
91.05487	38.3
93.07046	19.1
94.53584	1.7
95.04975	40.1
95.08601	14.2
97.02887	4.4
97.06522	7.1
97.10182	3.4
98.98464	1.9
103.05480	2.1
105.07032	30.6
107.04958	18.0
107.08587	11.2
109.06519	7.3
109.10145	3.8
111.04440	2.2
111.08073	16.1
111.08796	2.5
113.06017	7.0
113.67274	1.9
115.05437	2.3
117.06993	4.0
119.08592	21.2
121.06503	3.5
121.10129	11.6
123.08082	2.2
123.11730	3.6
125.00020	2.0
125.09692	2.0
129.07014	12.5
131.00066	2.2
131.08582	12.8
133.06480	2.8
133.10123	9.8
137.09671	3.0
140.54660	1.7
142.07771	3.8
145.06451	4.4
145.10101	4.4
147.08040	5.5
147.11694	26.2
149.09628	7.0
151.03882	6.5
151.11206	2.1
157.10112	19.3
161.05998	5.1
165.12773	5.9
169.10019	2.0
173.09621	3.4
174.99037	2.6
175.11180	25.5
179.08569	3.3
189.00542	2.9
193.12251	73.4
207.07954	2.5
211.13318	43.5
225.09052	5.0
229.14302	6.8
260.29065	1.8
267.15961	3.4
285.07449	3.8
285.10968	3.3
285.16934	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03931	3.1
55.01863	3.4
55.05504	23.2
55.43598	1.8
56.96542	2.2
57.03184	2.3
57.03435	33.7
59.04978	2.1
64.14929	1.8
65.03934	2.5
67.05499	33.0
69.03411	6.2
69.07059	14.9
70.04103	2.0
71.04975	9.2
71.60231	2.6
73.02922	2.0
79.05493	31.8
81.03414	100.0
81.07053	40.6
83.04983	15.2
83.08611	32.8
85.02894	55.0
85.06512	4.3
91.05471	37.5
91.32921	1.8
93.07037	23.8
95.04964	34.9
95.08595	14.8
97.02876	6.9
97.06514	6.6
97.10138	4.9
105.07018	27.6
107.04939	7.0
107.08598	11.4
109.06499	6.4
109.10147	3.3
111.04459	4.6
111.08080	17.2
113.05995	7.4
116.98597	2.2
117.07011	2.4
119.08582	23.8
121.06532	2.4
121.10161	15.7
123.08035	3.1
123.11700	3.6
129.07007	10.5
131.08540	12.3
133.03343	2.3
133.06473	2.9
133.10115	11.0
134.03490	1.9
135.11719	2.1
140.57007	2.5
142.07756	4.0
145.10083	4.3
147.08035	4.7
147.11674	27.2
149.09604	8.1
157.10117	19.7
161.02957	3.0
165.12726	6.3
175.11192	20.2
185.13235	2.2
193.12241	88.6
194.12668	2.3
211.13271	58.2
229.14261	2.8
241.00107	1.8
243.11249	2.6
267.15887	8.3
285.16888	54.2
285.21783	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	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
53.98248	0.8
55.01877	7.1
55.02127	1.3
55.05506	14.2
56.96547	1.5
57.03436	19.8
57.07058	3.6
65.03925	1.7
67.05500	38.6
69.03412	2.2
69.07064	18.4
70.05621	3.9
71.04978	4.3
71.11845	0.8
72.93760	1.5
73.06554	0.8
75.33065	0.8
77.03899	0.9
79.05055	1.4
79.05488	20.8
80.65862	0.8
81.03410	8.7
81.07052	100.0
83.04980	8.5
83.08615	11.3
85.02890	3.1
85.06542	5.8
87.04465	1.2
90.94802	1.5
91.05476	33.2
92.05802	2.8
93.07045	16.1
93.65125	0.8
95.04975	7.0
95.08600	28.0
96.08149	1.2
97.06528	9.2
97.10137	1.2
98.20805	1.0
99.04441	2.2
99.08086	4.8
101.05952	1.4
105.07030	31.4
107.04936	7.3
107.08592	11.5
108.95831	1.1
109.06519	6.2
109.10148	3.5
111.08067	2.6
113.06013	1.3
116.98470	1.4
117.06989	1.6
119.08574	25.4
121.06473	2.3
121.10131	21.2
121.11003	1.1
123.08057	5.5
123.11700	31.6
127.07585	4.0
128.06229	1.2
129.06981	3.6
131.04909	1.3
131.08569	2.5
133.06470	1.1
133.10143	4.2
135.04465	1.1
135.08002	1.5
135.11745	1.1
137.09535	1.0
137.13235	3.1
141.09097	1.6
142.07733	1.5
145.06494	1.0
145.10059	1.3
146.97409	1.0
147.08003	1.6
147.11679	76.4
148.11981	0.9
149.05983	1.7
149.09572	1.8
155.08459	1.0
157.10135	5.4
161.05960	1.1
163.04042	0.9
165.07089	1.1
165.12744	43.3
173.05959	1.4
173.09512	1.2
173.13336	1.0
175.11174	3.7
177.00517	1.1
177.05501	1.1
183.13809	5.7
189.00604	2.3
191.00009	0.9
193.12213	3.6
195.09245	1.1
198.09200	1.2
200.10748	1.7
211.13348	1.2
223.08717	1.1
224.09412	1.7
225.08958	2.2
226.10985	2.3
229.14380	6.6
239.11896	1.6
241.13341	1.3
243.11163	3.6
252.08858	1.1
253.08568	2.5
257.15283	1.6
259.06299	9.7
267.11456	6.9
267.15881	11.4
267.20920	1.0
285.12506	6.0
285.16959	33.9
285.22086	2.1
286.14294	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.5
55.01871	4.2
55.05512	11.9
56.96562	1.5
57.03434	14.7
63.00038	2.8
64.01178	1.4
67.05505	19.8
69.03432	4.9
69.07069	7.8
69.53205	7.3
69.53632	4.6
70.95866	2.1
71.04989	4.9
72.08127	1.7
72.93795	2.0
76.22675	1.2
79.05488	18.7
81.03417	100.0
81.07051	23.8
83.04971	9.6
83.08619	21.4
84.08149	2.3
85.02911	12.8
85.06542	2.9
91.05480	26.7
93.07049	14.4
95.04961	32.3
95.08602	10.4
97.02877	1.9
97.06527	3.3
98.98488	2.0
103.05447	2.5
105.07029	18.8
107.04963	15.4
107.08590	8.1
109.06529	4.6
109.10179	1.9
111.08062	8.8
113.06032	1.5
115.05525	2.1
117.07016	3.2
119.04961	2.2
119.08580	15.0
121.06512	5.8
121.10163	9.4
123.08105	3.3
123.11703	2.9
125.00048	1.8
129.06987	12.0
131.04890	2.3
131.08565	9.2
133.06508	6.3
133.10110	7.8
135.08067	2.3
142.07796	3.3
145.06525	2.8
147.08075	3.2
147.11678	17.8
149.06030	2.8
149.09630	4.8
151.03905	5.5
157.10139	12.5
161.06020	3.7
165.12769	5.7
173.06119	1.5
173.09683	1.8
175.11179	12.8
177.05461	2.3
179.08598	2.2
181.06604	1.5
193.12239	44.3
207.08064	4.1
211.13275	8.8
225.09126	7.6
229.08804	1.5
229.14317	1.5
239.03609	1.7
239.10619	1.9
257.15515	1.6
267.06949	1.7
267.10074	1.5
267.15973	7.0
285.07858	15.4
285.11118	4.5
285.14307	2.0
285.16995	8.4
303.08609	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	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98791	1.4
53.75561	1.4
55.01868	9.5
55.05508	15.3
56.96561	2.0
57.03441	21.4
67.05506	38.2
67.05877	1.9
69.07070	19.8
70.84331	3.7
71.04987	5.1
79.05484	21.1
81.03436	1.4
81.07056	100.0
83.04987	8.3
83.08617	11.0
85.06554	7.0
87.04483	1.8
91.05475	26.7
93.07036	15.0
95.04961	2.2
95.08602	33.1
95.09171	2.5
97.06546	7.9
99.08105	3.3
105.07030	40.3
105.07753	2.0
107.04968	2.2
107.08575	11.5
109.06511	6.1
109.10151	3.0
113.06003	1.8
119.08579	28.3
121.10142	22.0
123.08063	5.7
123.11709	33.6
127.07598	2.7
129.07027	2.5
131.08575	2.8
133.10132	2.5
137.13248	4.1
141.09091	2.5
147.11684	77.7
157.10149	2.6
165.12761	40.5
183.13821	4.4
193.12402	1.4
207.08084	1.7
225.09077	1.8
229.14368	5.4
267.15915	5.9
285.16757	21.6
307.07639	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.6
55.01873	4.7
55.05513	19.4
55.62729	2.2
56.96585	3.2
57.03439	18.1
57.98789	2.4
66.17421	2.3
67.01865	8.4
67.05502	32.4
69.03445	4.4
69.07065	13.5
70.06593	3.8
70.78063	7.5
71.04994	6.6
79.05491	27.1
81.03416	100.0
81.07055	54.0
83.04985	13.0
83.08613	31.5
85.02904	16.6
85.06558	5.0
91.05478	30.4
93.07043	22.6
95.04967	33.6
95.08601	36.2
97.06532	4.7
97.10223	4.8
98.97581	3.2
105.07028	33.6
106.06551	8.1
107.04951	57.7
107.08591	15.5
109.06512	8.1
109.10158	30.0
111.08089	10.6
115.05456	4.9
117.07007	5.9
119.08583	23.1
121.06514	9.6
121.10139	33.7
123.08064	6.7
123.11709	9.6
129.07014	13.5
131.08559	16.5
133.06505	4.4
133.10130	9.1
135.04413	81.3
135.08072	9.4
135.11649	2.7
137.05971	13.3
145.06465	3.6
145.10156	4.4
147.11703	29.1
149.05971	10.0
149.09589	5.7
153.05475	20.1
157.10124	13.3
157.61324	2.4
159.08060	4.2
161.05994	7.0
163.03911	62.2
163.07536	6.9
165.12741	13.2
168.08072	2.8
169.06577	2.8
173.06012	3.4
175.07567	6.7
175.11221	15.4
177.05519	9.8
177.09084	3.1
187.07581	9.0
189.05566	3.8
192.80647	3.0
193.12247	47.6
201.09143	11.1
203.07056	4.6
207.08167	3.1
211.13307	14.1
212.14265	2.6
215.07013	15.2
215.10712	5.6
219.05408	5.3
225.09142	6.6
229.08594	9.9
243.10077	6.5
257.15347	26.1
267.10303	2.9
267.15875	9.3
285.14462	26.1
285.17157	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.5
55.01862	5.3
55.05507	19.0
56.09756	1.9
56.96561	21.1
57.03436	42.8
59.11149	1.7
63.00048	10.7
65.03926	3.6
67.05503	32.9
69.03438	4.2
69.07068	12.5
70.06590	2.4
71.04984	9.3
71.08611	1.6
71.58943	2.6
73.02920	2.0
76.63142	1.8
79.05493	32.4
81.03414	100.0
81.07054	40.4
83.04981	12.2
83.08619	32.0
85.02903	60.2
85.06557	3.8
88.07625	2.1
91.05477	39.8
91.06027	3.4
93.07044	25.2
95.04961	36.9
95.08633	17.2
97.02883	4.4
97.06533	6.8
97.10184	3.2
98.97586	3.2
98.98466	5.9
103.05494	4.1
105.07027	38.0
107.04951	38.2
107.08604	13.7
108.05254	3.2
109.06503	6.5
109.10157	6.1
111.04429	3.9
111.08083	18.1
113.06010	5.1
115.05441	5.2
116.98580	5.5
117.07007	8.6
119.04920	3.5
119.08582	23.9
121.06511	8.9
121.10136	16.9
123.08090	2.8
123.11700	6.6
125.00026	4.5
129.07005	14.8
131.00133	5.4
131.04958	9.1
131.08617	10.3
133.06491	8.4
133.10112	13.3
134.99657	3.3
137.09560	3.1
140.98454	2.7
141.06952	3.1
142.07802	2.8
143.08586	3.4
145.06482	12.3
145.10095	7.4
146.99602	2.1
147.04460	3.0
147.07961	4.3
147.11705	20.5
148.20496	2.0
149.01231	10.7
149.09630	8.9
151.03932	11.1
155.08566	2.6
157.10112	22.5
159.04306	2.0
159.08003	2.4
160.97638	3.1
161.05986	6.3
161.09653	3.1
165.12762	5.2
167.02287	7.0
169.10098	4.4
173.05959	3.4
173.09596	19.5
174.98981	3.4
175.11192	21.3
177.00751	4.6
178.07790	3.0
179.07225	2.6
179.08624	3.9
183.11697	2.8
185.01115	2.5
188.07809	2.2
189.00618	7.4
193.10423	4.6
193.12234	76.7
197.05988	3.2
197.08195	2.5
203.10123	3.1
203.60361	5.0
207.07954	10.0
210.06807	2.8
211.11282	1.7
211.13263	45.7
222.96837	3.7
225.09137	18.3
247.13345	2.8
249.09143	3.8
249.16501	2.8
256.14145	3.7
265.14667	3.2
267.10266	2.7
267.15656	2.6
267.24380	2.7
267.64575	2.8
284.62888	4.3
285.06360	3.3
285.16925	18.5
285.18301	11.8
285.25449	8.6
285.29739	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	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.01864	8.2
55.05513	16.9
56.96560	2.3
57.03431	19.3
57.07071	2.1
65.03941	1.4
67.05499	33.8
69.03433	1.9
69.07069	18.7
70.04134	1.5
71.04983	3.3
71.59663	1.3
71.60107	1.5
72.93764	1.3
75.03151	1.1
79.05488	22.2
81.03413	11.2
81.07051	100.0
83.04978	8.5
83.08608	11.4
85.02901	3.3
85.06541	6.9
91.05479	29.0
93.07036	15.6
95.04955	6.9
95.08044	2.0
95.08604	26.4
97.06524	8.6
97.10181	1.8
97.21784	1.1
98.97575	1.3
99.08086	3.1
103.05477	1.7
105.07024	35.7
107.04945	6.7
107.08589	14.1
109.06496	6.9
109.10140	3.4
111.08066	3.5
113.05981	2.8
116.98572	1.9
117.06978	1.9
119.08581	29.1
121.06497	2.9
121.10130	19.5
122.05946	1.4
123.04437	1.8
123.08074	5.0
123.11710	26.4
127.07562	3.0
129.07005	3.1
131.08548	4.8
133.06384	1.4
133.10143	4.0
134.14063	1.1
134.99666	1.4
135.11720	1.3
137.13245	3.1
141.09123	1.7
142.07750	1.9
145.10095	2.1
147.08054	1.6
147.11681	70.2
148.07521	1.5
149.09653	2.4
153.06979	1.3
155.07292	1.3
157.10132	5.1
165.06967	1.4
165.12755	42.0
169.09995	1.3
170.09654	2.8
172.09923	1.4
175.11179	3.5
179.16251	1.9
183.06779	1.7
183.13846	6.4
187.12320	4.2
188.98705	1.1
189.00540	1.4
193.12247	8.1
197.13210	1.3
198.09142	11.3
211.13307	3.0
212.10841	1.3
215.11847	6.5
226.08646	2.6
229.14310	8.2
243.11288	29.0
252.13745	1.4
253.08592	2.3
257.12830	1.4
259.06363	4.9
267.15918	10.0
285.12289	22.3
285.16998	34.7
285.22299	2.9
285.29480	1.4
286.10733	5.2
302.16953	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
55.01865	2.9
55.05513	16.3
56.96551	2.9
57.03187	1.4
57.03437	18.6
57.07065	2.0
57.35270	1.1
59.04970	1.4
67.05506	32.2
69.03407	1.2
69.07067	18.3
69.74504	7.1
71.04992	7.0
78.81435	1.1
78.97995	1.1
79.05489	22.2
81.03412	3.0
81.07056	100.0
83.04977	7.6
83.08633	7.7
85.02904	2.7
85.06554	6.7
86.09689	2.2
86.91708	1.4
91.05477	26.0
93.07045	13.0
95.04961	4.8
95.08604	19.2
97.06535	7.2
98.98478	1.2
99.08088	5.2
104.10755	3.1
105.07034	34.5
107.04957	11.9
107.08591	13.6
109.06525	5.8
109.10184	2.0
111.08095	2.3
113.05978	1.3
117.06911	1.4
119.04948	1.4
119.08576	27.8
121.10136	21.3
123.08087	2.9
123.11704	31.2
127.07520	3.8
129.07027	1.3
131.04900	2.8
131.08562	1.8
133.10118	2.4
137.13272	2.1
141.09074	1.4
145.06485	1.7
145.10089	2.6
147.11682	65.5
149.01192	1.4
151.03851	2.1
157.10095	3.6
165.12752	29.2
175.11128	3.5
176.49626	1.1
181.24417	1.2
183.13791	3.4
193.12256	3.1
207.08015	2.7
210.06639	1.0
214.60890	1.2
225.09099	4.1
229.14365	4.9
250.42981	1.1
267.10172	1.8
267.15820	2.3
285.16916	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.8
54.10839	1.1
55.01877	2.7
55.05503	8.9
57.03429	5.9
67.05495	12.3
69.03427	2.3
69.07059	3.3
71.04983	2.3
79.05492	15.6
81.03413	100.0
81.07053	12.3
83.04971	4.9
83.08611	18.7
85.02896	5.7
91.05479	16.2
93.07046	6.6
95.04969	27.3
95.08592	2.9
97.02868	2.0
97.06487	1.3
97.10153	1.6
98.20730	2.8
105.07023	14.2
107.04939	6.1
107.08620	2.1
109.06491	2.3
109.10115	1.8
111.04458	2.4
111.08070	11.0
115.05395	1.2
119.08566	9.1
121.06471	1.9
121.10117	5.3
123.08029	2.4
129.07021	8.1
131.08571	7.4
133.06454	3.2
133.10100	4.0
147.08026	2.1
147.11668	10.2
149.09602	5.6
157.10103	9.7
165.12791	2.9
167.08382	1.2
168.01396	1.0
175.11183	13.4
193.06650	1.3
193.12230	49.9
211.13271	8.3
225.09138	3.5
253.08611	5.1
267.15881	10.7
285.11505	4.5
285.17001	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	285.1695
Annotation	Hysterone D
Peak:m/z	Relative Intensity
51.95434	1.0
53.03932	2.8
55.01856	4.2
55.05506	14.4
57.03432	21.4
63.34296	1.1
67.05498	19.9
69.03414	3.8
69.07071	6.5
69.78970	4.6
69.79388	2.8
71.04964	5.5
79.05486	21.5
81.03409	100.0
81.07053	27.3
83.04971	11.3
83.08609	29.6
85.02898	34.7
85.06571	2.0
91.05468	31.0
91.06007	2.3
93.07040	13.4
95.04962	34.5
95.08595	8.2
97.02876	3.8
97.06529	5.2
97.10142	1.9
105.07023	23.4
107.04935	7.6
107.08576	6.8
109.06515	7.1
109.10123	2.3
111.04427	3.5
111.08073	12.6
113.05982	2.3
115.05456	2.1
117.06924	1.3
119.08577	16.6
121.06487	1.9
121.10125	9.9
123.04354	1.7
123.08045	1.6
123.11686	1.9
128.06200	1.2
129.06993	10.6
131.08551	11.2
132.09300	1.0
133.06471	3.5
133.10135	6.9
137.09642	1.3
142.07785	3.3
147.08046	2.6
147.11664	19.5
149.09616	8.4
157.10095	12.6
165.12758	4.2
175.11160	24.0
193.12222	67.8
211.11279	2.4
211.13278	32.1
229.14412	2.5
253.03683	1.8
267.15869	9.4
285.12170	1.9
285.16940	23.3
287.05750	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59296	1.1
53.03944	4.1
55.01866	3.9
55.05508	17.6
56.96562	12.6
57.03433	27.5
65.03928	2.0
67.05501	27.7
69.03425	4.5
69.07063	5.8
69.61272	9.6
70.06593	2.4
71.04982	7.4
72.08149	1.5
79.05491	26.8
81.03413	100.0
81.07053	31.2
83.04974	11.6
83.08614	25.2
83.09099	1.4
84.04481	1.6
85.02900	39.6
85.03410	2.3
85.06537	3.3
91.04957	2.3
91.05479	30.3
92.35708	1.2
93.03395	1.6
93.07042	18.2
95.04963	36.5
95.08604	13.6
97.02908	2.6
97.06522	5.2
97.10152	3.1
98.06039	1.1
99.08076	1.4
105.03384	6.4
105.07022	21.6
107.04958	11.7
107.08602	7.2
109.06527	5.2
109.10153	2.9
111.04406	2.6
111.08068	15.2
113.06010	1.4
115.05422	2.6
116.98645	1.5
117.07043	1.9
119.08572	19.2
120.08030	1.8
121.06491	3.7
121.10120	11.2
123.08090	3.2
123.11679	1.7
125.09603	1.7
129.06992	9.8
131.08557	10.7
133.01721	1.6
133.06496	4.1
133.10106	9.5
135.11644	2.5
137.09641	2.3
142.07790	3.0
145.10039	2.6
147.08018	3.9
147.11670	14.0
149.09560	6.9
151.11182	1.4
157.10127	20.8
158.97643	4.8
163.11139	1.7
165.07031	1.8
165.12842	6.1
172.07605	1.1
175.11177	20.2
189.04326	1.8
193.06520	1.4
193.12234	61.6
199.06363	6.8
203.05977	1.7
211.07552	2.0
211.13301	28.1
217.07420	14.7
223.06540	1.9
225.08995	2.3
229.07440	1.7
241.07411	18.0
253.08659	3.8
259.08533	53.8
261.32758	1.6
267.09091	4.2
267.11487	3.0
267.15878	7.8
277.09616	11.9
282.10031	2.0
285.03955	2.7
285.10257	9.1
285.12610	3.7
285.16968	28.1
286.19992	1.5
303.11115	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1484
Annotation	alpha,alpha'-Diethyl-3,4,4'-stilbenetriol
Peak:m/z	Relative Intensity
53.03943	3.2
55.01866	4.1
55.05518	9.5
55.71347	1.4
55.93516	4.9
56.28055	1.5
56.94299	3.3
56.96557	1.6
57.03438	11.8
57.07067	2.1
63.00046	4.2
65.03932	2.8
67.05171	2.2
67.05507	23.2
69.03413	7.7
69.07065	12.3
70.95866	8.9
71.04982	3.8
71.19557	3.5
71.93033	2.0
72.08147	2.5
72.40614	1.6
72.93793	17.1
74.97251	1.5
79.05489	24.7
81.03419	68.3
81.07058	32.2
83.04990	4.0
83.08623	16.5
84.08168	2.0
85.02908	9.4
85.06531	2.1
86.09710	2.7
87.31003	1.5
88.96910	7.6
90.94851	11.0
91.05476	28.4
93.07042	17.9
95.04970	26.7
95.08045	3.0
95.08611	33.7
97.06520	7.7
97.10201	2.3
98.98479	3.8
99.08105	1.7
100.11304	1.9
100.96906	1.9
103.05463	3.4
104.14547	1.4
105.07033	25.1
107.04970	17.2
107.08601	13.3
108.95863	6.3
109.06517	5.3
109.10144	5.9
111.08099	6.9
115.05483	4.1
117.07004	5.2
119.04890	2.6
119.08585	17.9
121.06506	48.1
121.10124	7.7
123.08095	9.1
123.11721	3.2
124.99954	1.7
128.06244	3.8
128.96339	3.3
129.07001	10.2
130.97935	2.8
131.04930	3.7
131.08559	9.8
133.06491	5.8
133.09135	1.5
133.10069	7.8
134.97394	4.5
135.08066	18.5
137.05977	2.3
138.98412	3.8
141.07050	1.6
142.07751	3.2
143.08566	2.8
144.99506	3.2
145.06505	4.4
145.10129	4.2
146.97412	2.2
147.08046	4.1
147.11694	12.7
148.98982	3.9
149.05983	70.0
149.09624	5.1
150.96875	2.1
151.02060	4.1
151.03944	7.5
151.07547	19.2
155.08548	3.0
156.99478	2.9
157.06465	1.6
157.10144	10.8
158.07327	3.2
159.01030	3.0
159.08017	6.6
161.05995	4.5
161.09613	2.8
163.07556	21.9
165.00012	3.7
165.06964	2.0
165.09172	2.5
165.12801	6.6
167.07076	12.4
169.10187	2.3
172.95215	2.0
172.99097	1.8
173.06012	5.2
173.09608	12.2
174.06738	1.7
174.44202	1.5
175.00566	3.3
175.07578	6.2
175.11113	9.5
177.05461	51.9
177.09158	5.9
178.97974	1.8
179.08557	3.3
183.08022	3.1
184.98888	4.8
187.00629	3.0
187.07532	18.9
187.11182	1.9
188.08292	2.0
189.09113	16.0
190.96249	3.0
191.07021	10.3
193.10603	2.8
193.12244	24.7
195.08119	2.9
195.09972	3.7
197.09674	2.5
197.13339	4.8
199.00565	2.3
199.11241	2.0
201.09090	29.4
202.09879	3.5
203.07085	3.4
207.07982	2.7
207.11725	4.3
209.09659	3.4
210.10306	2.8
211.11432	3.1
211.13181	9.0
212.08464	1.6
215.07034	9.8
215.10599	7.7
217.08698	4.3
224.12016	4.2
225.09171	5.9
225.12852	2.8
227.03729	2.4
227.10742	3.8
228.11494	2.1
229.08611	27.0
229.12233	3.4
229.14258	2.7
239.03696	8.2
239.10640	2.0
239.14308	6.4
242.12985	3.3
243.10162	4.6
243.13707	2.4
255.06773	2.5
257.04706	4.2
257.15359	43.9
265.05170	4.2
267.06775	12.6
267.09695	2.1
267.11050	2.0
267.13547	11.9
267.16061	5.1
283.06357	5.5
285.07874	100.0
285.11230	5.0
285.14758	83.8
285.21948	3.1
286.08206	3.8
303.08838	25.8
308.09540	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	285.1485
Annotation	alpha,alpha'-Diethyl-3,4,4'-stilbenetriol
Peak:m/z	Relative Intensity
53.03936	2.4
53.37104	0.9
55.01867	1.5
55.05505	7.1
56.96549	3.1
57.03412	3.5
57.03669	1.0
57.07066	2.0
65.03942	1.6
67.02132	0.9
67.05166	1.1
67.05496	10.8
67.47433	0.9
69.03411	1.3
69.07061	11.3
69.79398	2.0
69.79810	5.1
71.04977	1.4
76.02219	1.2
79.05487	8.2
81.03401	6.8
81.07050	23.4
83.04968	2.8
83.08588	4.0
85.02882	2.0
91.05470	16.3
93.07034	13.5
95.04964	9.4
95.08598	40.8
95.63378	1.0
97.02888	0.9
97.06504	3.7
97.10161	1.1
100.28987	1.0
101.23386	0.9
103.05457	2.3
105.03336	1.1
105.04498	1.0
105.07017	16.6
107.04958	7.0
107.08572	10.6
109.06513	2.6
109.10143	4.9
111.08081	1.3
115.05426	2.4
116.01603	0.9
116.98563	2.4
117.07012	4.0
119.07792	1.1
119.08567	11.8
121.06492	45.1
121.10154	4.9
123.04467	1.1
123.08054	8.6
123.11630	1.5
128.06195	2.9
129.06999	6.1
131.00020	1.1
131.08548	4.5
133.06427	1.0
133.10110	4.0
134.99628	1.1
135.08041	17.0
135.11632	2.0
137.05972	1.8
141.07016	2.0
142.07718	1.5
143.08513	4.9
144.05626	1.2
145.06473	4.3
145.10117	5.2
146.07280	1.3
147.08015	2.6
147.11649	4.3
149.05966	71.0
149.09602	4.1
151.06387	1.8
151.07526	18.8
155.08517	4.5
157.06488	1.2
157.10141	4.6
157.11266	1.1
158.07222	4.2
159.08075	7.1
159.11647	4.5
160.97372	1.0
161.05959	1.3
161.09578	3.4
163.07527	21.9
163.11186	1.0
165.07039	1.8
165.09120	2.7
167.07074	8.8
167.08472	2.3
168.18994	1.0
169.10106	4.1
171.07970	2.0
171.11682	3.2
172.08768	2.1
173.05981	4.1
173.09581	10.8
173.13251	2.7
174.06747	1.7
174.10210	1.0
175.07518	6.2
175.11168	1.8
177.05455	55.5
177.08943	5.5
179.04781	1.6
179.08626	1.7
181.10036	1.7
182.07152	1.2
182.10895	2.1
183.08174	1.5
183.11632	2.2
185.09581	3.0
185.13181	2.1
187.07527	15.9
187.11073	2.2
187.14754	2.0
188.08327	3.0
189.09102	13.9
191.06987	14.0
192.09384	2.0
193.12183	3.4
195.07944	2.0
197.09627	3.2
197.13239	6.3
199.07570	1.5
199.11180	2.1
199.14771	1.5
200.08348	1.7
201.09085	29.2
201.12834	1.6
201.16370	2.1
202.09843	3.7
203.06920	5.1
203.10609	1.9
207.11716	4.0
209.09590	3.8
210.10330	1.7
211.11197	1.8
211.14888	1.5
213.09030	2.0
215.07025	10.8
215.10551	5.9
217.08575	3.0
221.05853	1.0
224.11971	1.7
225.09068	2.1
225.12634	1.8
227.10646	3.9
227.17885	3.0
228.11354	2.4
229.08591	27.7
229.12120	1.9
229.15918	4.4
239.14230	5.2
242.13055	4.7
243.10239	4.3
243.13818	2.4
252.11444	1.7
253.08551	2.7
257.15329	50.4
267.11148	2.5
267.13730	14.0
267.21002	4.0
285.12057	4.0
285.14819	100.0
285.21875	13.5
286.15005	2.4
289.18906	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1481
Annotation	alpha,alpha'-Diethyl-3,4,4'-stilbenetriol
Peak:m/z	Relative Intensity
53.03921	5.9
55.01863	4.7
55.05516	15.7
55.93523	3.3
56.96561	3.1
57.03439	11.4
59.39401	2.1
60.04473	1.9
62.37895	1.9
63.00018	3.0
65.03928	3.8
67.05190	2.4
67.05502	28.7
69.03416	6.0
69.07061	17.3
70.06571	2.5
70.95840	9.5
71.04963	4.2
72.08150	2.7
72.93784	19.8
79.05483	23.1
81.03416	65.7
81.07053	45.4
83.04960	7.3
83.08623	19.9
84.08164	2.8
85.02896	10.9
88.96892	5.8
90.94817	13.7
91.05479	35.8
93.07034	20.3
95.04964	28.3
95.08602	46.4
97.02884	2.1
97.06509	9.4
100.11246	2.5
103.05425	4.0
103.73684	2.2
105.07026	25.4
107.01179	2.2
107.04942	11.8
107.08604	15.9
108.95860	4.3
109.06493	5.7
109.10117	3.9
111.04381	2.9
111.08051	7.8
113.05996	2.7
115.05454	4.6
116.96352	3.5
117.06977	3.2
119.04895	2.6
119.08582	18.6
121.06498	65.9
121.10132	12.2
123.08008	10.1
123.11690	3.5
128.06198	4.2
128.96309	3.8
129.07028	10.2
131.04927	2.6
131.08536	8.2
133.06418	3.4
133.10085	6.3
134.97314	2.3
135.08038	22.1
135.11726	2.0
137.05951	2.3
141.06943	4.5
142.07803	2.9
143.08574	4.7
144.95808	2.5
145.06435	5.9
147.07993	6.6
147.11671	15.6
148.98979	5.9
149.05974	87.6
149.09633	6.4
150.96829	2.8
151.03856	6.5
151.07532	26.0
155.08540	4.8
156.09404	2.4
156.99419	2.3
157.06424	2.5
157.10083	11.1
158.07199	2.5
159.08026	6.6
161.05939	5.2
161.09560	2.9
162.96802	2.4
163.07530	25.7
164.99966	3.2
165.09081	2.7
165.12567	4.1
166.97845	2.1
167.06990	9.6
167.08385	4.0
168.99365	2.7
171.07974	3.7
172.08829	3.9
172.98947	2.2
173.05916	6.7
173.09656	11.4
175.07520	7.7
175.11189	9.3
176.98396	3.1
177.05466	70.5
177.09073	8.3
179.08542	3.9
181.10185	2.7
184.08644	2.4
184.98987	3.0
185.09586	3.1
187.00514	3.5
187.07547	20.3
187.11101	3.1
188.48810	2.4
189.09099	18.3
191.07007	18.1
192.09380	3.2
193.12262	30.0
195.08049	2.3
195.09758	3.7
197.09633	5.4
197.13177	4.0
199.00438	2.4
199.10976	2.6
201.09093	36.1
202.09818	5.5
203.06987	3.7
207.08005	3.0
207.11620	4.2
208.12378	2.6
209.09537	3.9
210.10489	2.5
211.11305	3.2
211.13274	9.6
212.08444	2.2
215.07100	13.2
215.10654	9.7
217.08516	5.4
221.02541	2.8
224.11989	5.6
225.09079	6.0
225.12621	3.4
227.10609	3.5
229.08607	34.6
229.12175	4.1
229.16095	3.5
239.03609	9.2
239.10529	3.6
239.14236	7.5
242.12947	3.1
243.10117	4.7
257.04605	4.9
257.15344	53.7
258.61493	2.3
267.06793	11.3
267.13708	15.7
283.06339	4.5
285.04547	3.3
285.07852	94.1
285.14783	100.0
285.17871	6.0
285.29938	2.3
286.08063	5.6
286.14853	4.6
303.08838	21.4
308.09494	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	285.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	1.4
53.03938	3.2
53.12532	1.2
55.01868	5.3
55.05503	5.4
56.05026	2.0
56.96557	1.5
57.03437	3.2
58.06600	1.6
60.04532	1.5
60.08152	1.3
60.57412	1.1
63.00040	2.8
67.05508	7.6
69.03411	2.3
69.07064	3.7
70.02943	2.0
70.06590	23.4
71.04997	3.4
71.06871	1.1
71.57729	1.3
71.58104	1.2
72.08154	13.1
73.02896	1.8
73.13207	1.1
74.06069	2.0
76.02217	3.4
79.05492	11.0
81.03415	20.4
81.07053	6.9
82.06590	1.7
83.04976	3.3
83.08603	4.5
83.53405	1.1
84.04510	5.4
84.08134	13.9
86.09704	20.1
87.05585	1.2
87.10031	3.2
91.05481	13.4
93.07056	5.3
95.04967	13.9
95.08597	2.9
97.06544	3.3
98.91001	1.4
98.98498	3.0
100.11242	1.5
103.05463	5.3
105.07034	9.0
107.04955	100.0
107.08605	3.9
108.05294	2.5
109.06500	1.9
109.10122	2.5
110.07173	6.2
111.08061	3.5
112.11244	1.5
114.05544	1.8
115.05441	6.2
117.07018	11.9
119.04953	10.5
119.08555	7.8
120.05732	1.9
120.08106	8.4
121.02888	5.6
121.06496	4.1
121.10134	4.7
122.06054	2.5
123.04456	2.1
123.08085	1.3
125.09586	1.6
129.07007	3.3
129.10234	7.0
130.06517	1.3
131.04921	34.8
131.08562	3.0
132.05740	2.1
133.06494	6.3
133.10155	3.7
135.04402	2.0
135.11671	1.6
137.09650	2.8
141.06966	2.3
143.08681	1.4
144.05777	2.3
145.06483	29.4
145.10138	2.2
147.04398	10.0
147.08075	2.0
147.11642	3.9
149.06017	2.2
149.09573	3.1
151.03882	3.7
153.05453	1.9
153.07037	1.5
154.07645	1.7
155.06036	2.6
157.10086	1.3
159.11653	1.8
160.05197	1.6
161.05954	7.3
161.13268	2.1
162.02177	1.3
163.11145	1.5
165.06970	3.4
167.08525	1.7
169.06522	4.5
173.05980	10.9
175.11246	3.1
177.12784	1.3
178.07779	9.8
179.04865	1.6
179.06989	2.1
179.08562	16.2
179.10396	2.1
181.06476	5.5
182.07256	5.2
183.94432	1.3
185.09772	2.1
186.10413	1.7
189.07007	2.1
189.12769	3.3
191.06920	1.7
193.10545	1.5
193.12219	7.3
195.07982	3.0
196.07233	1.6
197.06177	1.2
197.09567	2.4
203.08572	2.0
206.07336	2.2
207.08047	44.6
207.13757	3.0
208.08531	2.5
209.09685	1.7
210.06776	9.5
211.07697	2.5
211.11320	1.4
211.13126	1.6
219.08122	1.8
221.09637	3.7
223.07544	1.6
224.08319	3.1
225.09096	84.7
231.08093	1.8
234.06679	1.9
237.09116	1.7
239.10748	6.9
249.09122	13.4
255.10168	1.5
267.10156	19.3
267.12906	2.6
267.16061	3.2
285.11057	2.3
285.17200	2.0
285.29691	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
55.01855	3.8
55.05500	3.3
57.03429	3.4
63.00043	1.3
65.03933	1.9
67.05514	5.3
69.07057	1.0
70.06584	7.0
70.27300	2.0
70.27693	2.3
72.08146	2.4
77.28132	0.9
79.05491	7.5
81.03413	28.7
81.07037	3.2
83.04983	1.1
83.08605	4.3
84.04445	1.1
84.08129	4.0
85.02888	2.3
86.09684	4.2
91.05478	16.8
93.07009	2.7
95.04971	15.0
95.08621	1.1
97.02882	1.3
98.21475	1.1
98.98486	1.3
99.53826	0.9
103.05450	3.4
105.07011	4.5
107.04951	100.0
108.05251	1.1
109.06518	1.0
110.07183	1.8
111.08064	2.4
115.05453	6.5
117.07024	12.9
119.04935	8.2
119.08555	2.9
120.05689	2.4
120.08083	1.6
121.02840	4.0
121.06492	2.7
123.04414	1.3
129.06999	2.2
131.04922	33.1
131.08514	2.7
133.06511	5.4
133.10162	1.4
141.06973	2.2
145.06473	33.2
147.04401	9.2
147.11696	2.1
149.09583	1.4
151.03888	3.2
153.06956	1.6
155.06018	2.2
155.08604	1.5
157.06476	1.2
157.10112	2.6
160.05130	1.5
161.05997	7.2
165.07022	2.9
167.08521	2.5
169.06461	4.6
169.10088	1.4
173.05971	9.2
175.11189	3.4
178.07750	10.6
179.08556	19.6
181.06477	7.4
182.07277	6.2
183.08005	2.8
184.07451	1.1
189.06967	2.2
191.06987	1.9
191.08495	1.3
193.12233	6.9
194.07214	1.5
195.08037	2.9
195.39891	1.0
196.08907	1.2
197.05809	1.2
197.09578	2.4
202.07794	3.5
205.06557	1.2
206.07274	2.7
207.08049	44.9
208.08765	1.5
209.45305	1.0
210.06746	8.3
211.11331	1.0
219.08029	3.4
221.09625	2.1
223.07541	1.8
224.08330	2.9
225.09096	94.0
226.09439	1.6
231.08031	3.2
234.06758	2.3
237.09067	2.8
238.09889	1.3
239.10725	7.9
239.33521	0.9
249.09132	13.7
255.10182	1.1
265.08670	0.9
267.10172	15.7
267.13074	1.0
267.15829	2.3
285.11075	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	285.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34113	1.9
58.60787	2.1
58.99581	10.8
63.00031	2.3
69.94240	10.7
70.06568	8.0
71.25768	1.8
76.02225	46.2
84.08154	4.7
86.99034	2.6
87.05506	1.9
95.04979	3.3
98.20764	3.5
98.98422	1.9
99.57838	1.9
100.20526	2.1
107.04958	100.0
110.73542	2.0
116.01681	12.3
130.06534	1.8
144.01157	6.6
162.02202	24.9
169.07576	3.6
179.04845	32.0
239.12976	2.6
265.22983	2.4
268.10696	3.8
285.13617	3.0
295.68518	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	285.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12415	0.2
53.03944	1.0
53.85027	0.2
55.01880	0.3
55.05507	0.7
56.05032	0.5
56.96565	0.4
57.03419	0.3
57.07072	0.7
57.98790	0.6
58.99581	10.8
59.06100	0.3
60.04526	0.3
63.00042	0.9
69.03432	0.5
69.07057	0.4
70.06590	6.4
71.58629	0.4
72.08154	2.6
73.01141	0.5
76.02225	49.3
76.03979	1.7
79.05492	1.6
81.03418	1.4
83.06100	0.3
83.08637	0.4
84.04491	0.8
84.08138	3.1
85.02898	0.3
86.09688	3.0
86.99039	3.0
88.02209	1.0
91.05469	0.7
93.07070	0.5
95.04454	0.3
95.04953	1.7
97.00630	0.2
97.02883	0.3
98.97614	0.4
98.98466	0.8
103.05493	0.4
105.04533	0.4
105.07059	0.3
107.04949	100.0
108.05289	1.0
110.07154	1.2
115.08691	0.3
116.01671	14.3
116.98586	0.6
121.06486	0.5
124.07576	0.3
125.00007	0.5
127.04950	0.4
128.98570	0.4
129.10236	1.5
131.04913	1.1
133.06485	0.5
138.72620	0.3
141.10294	0.3
144.01140	7.8
145.06438	0.6
151.03917	2.1
156.07695	0.3
161.05948	1.0
162.02194	28.1
163.02440	0.3
176.03334	0.7
177.05388	0.3
179.04843	38.9
180.05103	0.3
185.03883	0.8
204.06531	0.9
207.08020	0.6
213.07011	0.5
224.08321	0.4
225.09082	1.3
239.10791	0.3
249.02950	0.5
267.10141	0.4
267.72162	0.3
284.29440	0.5
285.08282	0.4
285.10840	1.5
285.17981	0.3
285.29886	0.3
291.03751	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27174	0.6
53.03951	0.7
56.96542	0.9
57.03415	0.8
60.04525	4.0
68.05028	7.7
69.03431	4.8
70.02943	0.9
70.06584	6.6
70.28604	2.5
72.04491	0.6
72.08154	0.9
74.02430	0.9
79.05537	0.8
80.05003	3.1
84.04493	1.3
84.08135	2.4
85.02897	0.7
86.06055	3.5
91.05471	0.8
95.04964	1.2
95.06036	0.7
96.04508	3.6
98.06040	4.8
104.03449	1.0
107.04955	75.9
108.05333	1.0
110.07172	6.1
112.04002	0.7
113.75551	0.7
114.05521	8.4
116.07088	0.9
116.43285	0.6
124.03947	0.8
132.06561	15.8
135.02998	0.8
136.06181	8.7
136.07516	2.5
141.10217	1.0
142.05002	6.3
148.07581	0.7
152.05675	21.3
153.04050	1.8
156.07719	1.3
160.06071	5.6
160.57611	0.6
178.07104	100.0
189.03484	0.8
238.10725	0.9
284.11429	1.0
284.16336	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	8.3
57.07064	8.3
58.86995	3.8
65.31835	3.8
65.35519	4.7
68.38650	4.3
69.03418	5.8
69.07062	29.5
70.06581	19.0
71.04983	6.1
71.56709	5.8
72.08146	8.7
72.93805	4.1
81.03397	5.5
81.07078	7.0
84.04489	9.0
84.08128	6.6
86.09688	12.6
88.03976	5.0
89.06023	80.9
91.05470	7.6
94.06549	4.5
95.04954	5.2
95.06068	18.1
97.02889	6.6
99.04454	4.2
107.04960	47.7
107.07018	5.1
109.02831	5.2
110.07173	5.9
112.07579	4.6
112.08694	6.5
114.05547	7.5
120.08093	7.0
121.02863	8.1
122.06013	4.4
123.04403	5.2
133.08595	74.4
136.06148	4.7
136.07594	6.3
140.07071	34.7
150.05499	5.1
151.09569	8.5
152.05675	11.3
160.06010	4.6
167.98584	4.5
168.06541	45.3
175.71149	4.3
177.11215	12.1
178.07082	31.0
195.12216	6.9
209.54778	4.3
225.07478	5.0
239.14890	100.0
239.17287	6.6
252.16728	4.1
273.98309	4.6
284.15079	8.4
284.19751	14.6
284.29456	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09683	0.7
60.04516	4.7
64.67075	0.8
68.05030	9.6
69.03432	5.5
70.02876	0.7
70.06578	1.8
71.58376	0.8
72.04470	0.7
79.05438	1.7
80.04996	2.6
80.59274	0.7
85.02893	0.8
85.36116	0.7
86.06059	2.4
90.65994	0.6
95.04980	1.3
96.04478	4.2
98.06060	6.5
104.03458	1.4
107.04947	84.5
112.03951	1.4
112.13319	0.7
114.05523	8.6
123.92278	0.7
124.03960	2.4
128.04478	0.9
132.05582	1.3
132.06561	18.3
135.03003	1.3
142.04990	6.8
152.05667	31.9
153.04074	3.5
160.06046	5.7
178.07097	100.0
183.56123	0.7
185.02982	0.9
257.77383	0.9
284.11206	1.6
284.16101	3.3
306.58575	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0988
Annotation	Guanosine
Peak:m/z	Relative Intensity
57.03434	1.3
69.03431	1.3
70.06589	3.2
70.78055	1.7
70.78386	2.3
71.01342	2.9
73.02899	1.0
82.04079	3.0
83.67626	0.8
84.04495	1.2
84.08147	1.0
85.02918	1.9
89.83269	0.9
94.20038	0.9
95.06081	2.1
97.02854	1.3
98.03528	1.1
98.06050	1.4
107.04989	2.0
109.05095	5.4
110.03525	4.0
110.07171	2.1
119.03568	1.2
121.05122	1.1
124.06237	2.3
125.04594	4.5
125.06966	2.3
126.05424	1.2
126.07737	6.4
127.06161	8.5
128.04561	2.4
135.03030	4.6
136.06184	100.0
137.04581	9.9
137.06598	1.5
148.06271	1.2
151.06091	1.2
152.05678	78.4
152.09268	2.0
153.06412	1.0
154.07254	11.1
155.95403	0.9
158.04492	1.2
164.05664	1.4
174.07883	1.2
178.07245	2.4
180.05180	1.1
194.06792	1.5
220.08344	1.7
225.16121	1.2
248.07841	1.8
256.10416	1.3
266.08902	2.9
284.09943	15.5
284.12955	2.3
284.23285	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0989
Annotation	Guanosine
Peak:m/z	Relative Intensity
51.07043	0.2
52.66598	0.2
57.85626	0.2
61.39766	0.2
62.51666	0.3
68.05017	0.8
69.03421	0.7
70.71986	0.7
85.02901	0.3
92.68103	0.3
96.04466	0.4
98.06049	0.4
107.04951	8.1
109.05120	0.4
110.03533	1.7
114.05511	0.8
128.04591	1.3
128.05365	0.2
132.06552	1.5
134.04544	0.3
134.93115	0.3
135.03014	3.0
136.06190	0.4
142.05025	0.6
150.49867	0.2
152.05667	100.0
153.04066	7.5
153.06009	0.4
160.06070	0.8
176.67285	0.3
178.07089	9.4
193.79677	0.3
220.18681	0.3
222.52394	0.2
290.57159	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.5
56.96552	1.4
57.03414	1.2
62.89035	0.4
67.05479	1.7
69.07047	1.1
70.04074	5.7
70.05389	0.4
70.06580	0.5
70.50955	0.9
70.51342	0.9
71.32826	0.5
72.93777	0.7
79.05480	2.6
80.05827	0.4
81.03429	0.4
81.07040	1.5
83.08607	0.6
85.02917	0.5
85.47310	0.5
91.05455	1.9
93.07042	2.2
95.04943	0.8
95.08576	1.6
97.02886	1.0
98.97567	0.7
104.26680	0.4
105.06977	0.8
107.08575	1.5
115.05412	1.0
116.06213	1.8
116.98620	1.0
117.07041	0.4
119.08540	1.0
121.10096	0.8
122.07139	1.4
131.08516	0.7
132.08955	0.5
132.95796	0.5
133.10042	0.7
134.99593	1.0
135.11650	0.8
144.05661	0.8
145.10023	0.8
146.97415	0.7
149.01231	1.1
157.04007	5.2
157.06520	1.0
158.06807	0.8
164.11501	0.9
165.06995	25.5
177.00624	0.4
178.07813	2.3
179.02570	6.2
179.08516	6.1
180.09328	12.4
189.45274	0.5
192.03246	0.5
203.10213	0.5
213.04465	0.4
215.06206	100.0
216.06577	1.2
234.98851	0.7
256.08929	2.9
259.20746	0.6
284.03537	1.7
284.09515	4.2
284.12708	1.8
284.15573	0.6
284.29440	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72913	0.3
55.05494	0.6
56.96552	0.6
57.03417	0.2
57.07059	0.5
67.05474	1.1
67.57085	0.3
69.07053	0.8
70.14331	1.4
71.38380	0.3
79.05472	0.8
81.07036	0.6
91.05466	0.5
98.20811	0.4
108.05602	0.6
116.98593	0.3
123.07905	0.3
134.99619	0.4
137.09473	0.3
152.06123	0.3
158.85101	0.3
158.97665	0.3
165.06992	24.8
166.07295	0.6
178.07771	2.2
179.08534	7.0
180.09329	14.0
186.02423	0.3
199.02998	0.5
200.03885	1.1
210.12042	0.3
213.04727	0.4
215.06210	100.0
216.06551	1.8
221.52652	0.3
224.05481	0.6
228.13058	0.5
237.83652	0.3
248.98672	0.8
249.99457	0.3
256.08868	3.1
284.09485	17.9
284.29486	1.8
285.09998	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.8
55.05501	1.2
56.96550	0.9
57.03431	0.7
57.07059	0.4
65.23125	0.4
66.92732	0.4
67.05489	1.8
69.03381	0.6
69.07068	2.3
69.89308	2.5
70.95855	0.5
74.41911	0.4
76.19838	0.4
79.05495	2.0
81.03412	0.8
81.07047	1.6
85.02885	0.6
88.70363	0.5
91.05473	1.4
93.07045	1.7
95.04932	1.0
95.08602	0.8
97.02911	0.8
105.07012	1.0
107.04918	1.0
107.08534	1.1
109.10119	0.6
115.05436	1.7
116.98617	0.5
119.08582	0.9
121.10170	0.8
131.08540	0.6
133.03429	0.7
133.10126	0.8
134.99638	0.6
135.11652	0.5
136.12045	0.6
137.73962	0.4
149.13303	0.5
153.07001	0.5
158.97487	0.6
161.02858	0.7
165.06990	16.8
166.07825	2.1
173.02977	0.4
176.93869	0.5
178.07767	26.4
179.08543	70.7
180.09331	18.3
181.09581	0.5
185.22350	0.4
200.03795	0.5
203.29356	0.5
215.06207	100.0
216.06580	1.8
219.02058	0.5
247.74315	0.5
252.15988	0.5
255.95679	0.4
256.08862	3.0
284.09485	6.4
284.12625	0.6
284.18549	1.0
284.29507	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	284.0579
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43310	0.4
55.01860	0.8
55.05501	1.5
55.93524	1.1
56.16167	0.3
56.94308	2.5
56.96537	0.7
57.07059	0.4
67.05498	2.1
67.05799	0.4
68.94288	0.7
69.03422	0.8
69.07050	0.8
70.04076	1.9
70.06586	1.1
70.95858	5.4
71.30382	0.9
71.92974	0.6
72.08117	0.4
72.93782	12.0
74.95323	0.6
76.40208	0.4
79.05482	2.2
81.03401	1.1
81.07040	1.5
84.08147	0.5
86.09703	1.0
88.96888	1.4
89.94020	0.4
90.94817	10.7
91.05466	1.1
93.07052	0.5
95.04959	0.8
95.06086	0.4
95.08615	0.6
97.06470	0.5
102.94799	0.9
105.07043	0.5
107.04932	1.5
107.67444	0.4
107.95086	0.8
108.95861	7.3
111.36073	0.4
113.96404	0.8
114.60551	0.4
116.96351	1.6
116.98639	0.4
117.19730	0.4
118.94305	0.8
121.02885	1.3
122.03185	0.9
126.96905	0.7
126.98420	3.7
128.96342	3.1
130.97913	1.3
131.97409	0.7
132.08095	0.7
132.95825	1.0
134.97409	2.5
136.95271	1.1
138.98418	2.5
142.97853	1.2
144.95815	0.9
144.99466	9.9
146.97394	3.8
148.98975	2.5
150.96886	2.0
151.01987	1.0
151.11169	0.4
151.49391	0.4
154.97919	1.3
156.99484	1.2
158.97426	1.0
159.01082	0.7
160.95364	0.6
160.98932	1.0
162.96873	1.1
163.00629	0.5
164.11533	0.4
164.99940	0.4
166.97934	0.6
168.99413	2.9
170.97380	1.3
172.98972	1.6
175.00496	0.8
176.98561	0.8
176.99913	3.0
178.07111	0.9
179.01575	0.7
181.03131	0.5
184.98811	0.9
186.98814	0.7
187.00511	15.2
188.98441	2.1
192.99454	3.3
195.01003	0.6
197.02521	0.6
199.00427	0.6
205.01576	5.8
206.97404	0.6
207.01077	0.5
210.02072	1.0
211.00668	0.8
223.00595	0.8
225.02058	9.6
241.01581	1.7
243.03122	7.3
261.04196	100.0
262.04611	1.9
279.05237	15.2
284.05841	7.1
284.13138	2.8
284.15723	0.6
284.29440	1.4
302.10217	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.3
56.96551	0.5
57.07078	0.4
59.25061	0.2
69.07040	0.2
71.07748	0.2
71.58107	0.4
82.99879	0.2
91.32372	0.2
98.97581	0.7
99.58780	0.2
101.00878	0.3
101.79252	0.2
105.08506	0.2
116.98639	1.0
119.01915	5.8
122.97848	0.3
134.99666	1.5
137.01949	0.3
137.02937	3.8
140.98820	0.3
142.03537	0.3
153.00844	1.0
158.99905	0.5
165.99646	0.3
176.04089	0.2
177.00941	17.0
178.01035	1.1
179.00648	1.1
182.99921	0.4
188.49992	0.2
193.04121	0.4
195.01939	0.7
200.02516	0.6
201.00893	0.9
208.95921	0.5
216.05573	0.2
217.04099	2.3
218.03596	0.7
219.01990	22.8
220.02139	1.0
221.01753	4.4
222.01810	0.5
225.00874	2.0
237.03047	0.2
237.98807	0.4
240.05652	0.4
242.03621	0.5
243.01936	5.9
256.96640	0.3
258.06778	0.5
260.00177	0.2
260.04602	1.2
261.03040	100.0
262.03149	2.5
263.03510	0.4
266.03412	0.4
266.30289	0.2
275.04724	0.4
278.01193	0.6
279.00620	1.1
279.03000	0.3
280.00394	0.2
283.99850	0.6
284.04700	5.5
284.29504	1.5
302.00943	2.1
302.05603	1.6
303.00885	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.263
Annotation	Octadecadiene-1,18-diol
Peak:m/z	Relative Intensity
51.54923	3.4
52.03510	3.3
53.03918	4.2
55.05266	4.5
55.05511	62.3
57.03426	10.6
57.07076	67.7
59.04988	4.5
66.58450	3.4
67.05501	44.9
69.07068	100.0
70.28570	11.8
71.04967	4.4
71.08639	46.6
79.05486	28.0
81.07059	64.7
83.04996	8.3
83.08620	67.5
85.06541	5.8
85.10176	21.1
91.05487	14.0
93.07043	44.6
95.04990	5.5
95.08604	61.6
97.06525	24.8
97.10167	39.3
99.08098	7.9
105.07048	8.4
107.04942	15.0
107.08595	39.5
109.10172	23.4
109.10821	4.2
111.08093	20.7
111.11724	12.7
113.09690	4.9
115.07537	5.5
117.07003	4.6
121.10149	34.9
123.11671	12.7
125.09614	13.6
129.09041	4.4
131.08568	7.5
135.11659	31.9
139.11183	14.7
141.53937	4.2
143.08606	3.9
149.13264	23.5
153.12759	11.1
163.14841	12.9
167.14330	7.3
173.13242	15.4
177.16414	12.4
191.14301	6.4
191.17940	8.7
192.08885	5.0
220.08400	9.0
224.04616	4.2
227.12749	4.1
247.24200	26.6
247.26680	3.3
251.10300	4.5
252.10974	5.7
265.25290	18.8
266.12613	7.9
269.10593	8.1
283.11774	5.1
283.28171	6.4
284.12720	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2055
Annotation	8-18 bonded retinal
Peak:m/z	Relative Intensity
53.03926	3.7
53.30415	1.2
55.01857	2.8
55.05507	16.0
57.03423	4.3
57.07056	4.8
65.03912	1.6
67.05499	19.7
69.03428	7.8
69.07059	16.1
69.41295	13.6
71.05004	6.9
74.55127	1.3
79.05485	17.0
81.03441	2.5
81.07051	26.2
83.04967	3.5
83.08612	10.5
91.05477	21.0
93.06477	1.5
93.07040	30.4
95.04967	10.0
95.08592	19.8
97.06506	5.4
97.10165	4.5
103.05426	1.7
105.07023	49.3
107.04921	2.8
107.08584	27.0
109.06477	7.5
109.10140	17.8
111.04442	2.9
111.08067	2.4
115.05460	1.6
117.07015	9.6
119.08574	35.4
121.06480	6.1
121.10136	91.6
122.10431	1.6
123.08041	8.4
123.11675	6.6
128.06213	3.5
129.06984	5.9
130.07750	4.3
131.08571	25.8
133.06561	1.6
133.07568	2.8
133.10118	29.0
135.08020	9.0
135.11687	12.3
139.11201	2.0
141.06967	2.0
142.07735	6.6
143.08545	18.7
144.09264	3.8
145.09024	2.6
145.10114	38.6
146.07231	3.1
147.07997	3.6
147.11702	12.0
149.09557	1.9
149.13232	1.7
154.07654	1.6
155.08507	2.8
156.09296	4.9
156.63847	1.7
157.10117	20.8
158.10930	8.3
159.08022	5.3
159.11685	18.2
161.09616	27.7
161.13213	7.8
163.11206	7.7
165.06985	6.1
166.07828	1.7
167.08516	3.8
168.09314	2.1
169.10133	6.7
170.10907	2.4
171.07959	1.9
171.11726	12.6
173.09589	6.4
173.13258	46.6
174.13736	1.9
175.11188	5.7
175.14853	8.5
179.08446	4.5
180.09334	3.4
181.10089	6.0
181.12009	1.6
183.11678	5.7
185.09590	3.5
185.13290	8.3
187.11176	2.0
187.14821	9.0
189.12744	3.4
193.10062	3.0
194.10832	3.1
195.11668	6.9
196.12373	2.6
197.09491	1.6
197.13187	6.0
198.67216	1.5
199.11115	3.2
199.14774	11.3
201.16331	3.6
203.14246	2.3
208.12511	2.2
209.11601	1.8
209.13266	13.8
211.14864	2.4
213.12744	4.5
213.16322	2.9
215.06230	15.4
223.14784	8.4
225.16289	3.8
227.14391	6.7
239.18008	2.8
241.15729	3.4
250.17151	1.9
255.21120	14.2
258.84088	1.6
265.19550	20.7
283.20499	100.0
284.09454	4.9
284.20886	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	283.2054
Annotation	(2E,4E,6Z)-7-(7,7-Dimethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-3-methyl-octa-2,4,6-trienal
Peak:m/z	Relative Intensity
51.02975	1.6
53.03932	2.4
55.01851	3.2
55.05508	11.3
56.96548	2.1
57.03423	3.7
57.07050	4.2
62.69907	1.4
67.05501	19.5
69.03424	7.1
69.07061	9.4
71.04981	6.7
79.05139	1.6
79.05489	19.1
81.07043	24.7
83.02297	1.3
83.04948	5.3
83.08587	7.3
86.06005	1.3
88.44185	1.3
91.05468	19.4
93.07030	31.7
95.04963	13.6
95.08597	19.5
97.02811	1.4
97.06491	4.0
97.10147	2.0
98.20735	2.1
98.51037	1.4
98.97617	2.2
103.05431	3.4
105.07017	51.5
106.07337	1.4
107.04932	3.4
107.07970	1.7
107.08584	23.6
109.06497	10.9
109.10136	17.7
111.04424	2.8
111.08057	1.8
115.05404	2.9
116.98644	1.6
117.06991	10.2
119.08570	33.4
121.06502	10.0
121.10130	100.0
122.10455	2.4
123.08026	11.1
123.11668	5.5
125.09634	2.3
128.06189	4.5
129.06972	5.2
130.07739	4.1
131.08548	22.4
132.72137	1.4
133.07578	2.2
133.10115	27.9
134.99577	2.8
135.07999	7.4
135.11681	10.9
141.06934	4.0
142.07739	5.6
143.08569	16.7
144.09293	3.4
145.10100	39.2
146.07210	3.2
147.07982	3.9
147.11688	9.0
149.09560	3.6
149.13190	2.7
153.12679	2.3
155.08499	4.3
156.09317	4.4
157.06438	1.7
157.10107	18.8
158.10852	5.8
159.08029	3.0
159.11667	13.1
161.09619	26.4
161.13176	4.0
163.11166	12.1
165.06935	2.1
166.41420	1.7
167.08568	2.5
169.10114	5.5
171.07996	1.9
171.11670	12.9
173.09607	5.3
173.13243	42.9
175.11142	3.8
175.14755	3.5
179.08537	3.9
180.09335	2.5
181.10107	3.5
181.12160	2.9
183.11687	6.0
185.09584	2.4
185.13246	7.7
187.14793	9.0
189.12669	2.6
193.10126	2.6
194.10817	1.8
195.11656	5.6
197.13206	5.8
199.11176	2.0
199.14807	6.1
201.12648	2.3
201.16380	3.0
207.11568	1.8
208.12411	2.6
209.11595	1.9
209.13254	10.1
211.14732	2.9
213.12701	2.3
213.16269	2.1
215.14166	2.1
221.13293	1.7
223.14774	4.9
225.16318	3.5
227.12584	4.3
227.14435	3.3
231.47386	1.4
235.14828	1.9
239.17867	2.4
241.15633	2.3
250.17155	1.8
253.05550	2.6
255.21025	5.6
265.19510	22.6
283.10565	1.9
283.15485	4.1
283.20486	85.0
284.20773	3.0
284.29410	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	283.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07073	0.9
69.48531	4.7
70.06561	0.9
72.08143	0.6
73.06561	0.8
74.96881	0.5
79.05501	0.6
79.56999	0.5
83.08639	0.7
84.08150	0.6
87.04465	2.6
89.06022	100.0
91.05485	0.7
95.04963	1.0
98.21519	1.2
106.79943	0.5
107.04955	5.8
107.07055	4.9
108.05292	1.2
117.07010	0.6
118.55694	0.5
120.08146	0.8
121.02864	1.4
121.06504	1.5
122.06039	1.1
123.04405	1.2
131.07010	0.6
132.05287	0.7
133.08589	36.3
137.05959	0.6
148.07578	2.1
149.07901	4.3
150.08797	0.5
151.09645	1.7
154.20940	0.5
167.08969	0.6
170.27266	0.5
177.11212	6.2
192.62263	0.6
195.12251	1.0
212.98431	1.0
239.14873	1.4
283.09634	2.9
283.13339	0.7
283.17535	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	283.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46810	0.5
59.01980	0.5
69.07047	0.6
82.06477	0.5
83.58759	0.5
87.04446	2.6
89.06027	100.0
95.04904	0.8
97.02847	0.7
107.04961	2.4
107.07072	3.6
121.06501	1.7
122.06022	0.8
123.04430	1.1
130.08571	0.7
133.08595	37.2
143.34456	0.5
148.07578	2.9
149.06018	0.8
149.07922	3.9
151.09697	0.5
167.08890	0.6
177.11197	6.7
194.97273	0.6
195.12257	1.3
239.14929	1.9
242.02995	0.5
269.14780	0.4
283.14011	1.1
283.17487	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	283.169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.01857	1.4
55.05509	3.2
56.96553	1.7
57.03417	1.1
57.07053	0.7
61.67044	0.3
67.05495	3.3
68.41994	0.3
69.07056	2.7
70.06567	0.4
71.04969	0.9
72.51141	0.3
79.05492	3.7
81.03413	0.6
81.07051	3.4
83.04971	1.1
83.08618	1.1
85.06537	0.6
89.06022	0.4
91.05473	1.9
93.07036	4.4
95.04948	1.3
95.08598	3.5
97.02889	0.8
97.06522	0.9
97.10152	0.5
98.20729	0.9
98.97569	0.5
99.04456	0.4
105.07024	0.9
106.38065	0.4
107.04938	1.2
107.08591	2.5
109.10136	0.9
111.04417	1.0
111.08102	0.3
115.05444	0.4
116.98586	0.3
117.07019	1.2
119.08593	1.1
121.06525	0.6
121.10132	2.5
123.08083	0.7
125.06091	0.3
128.06215	2.0
129.07018	2.6
131.04907	0.7
131.08571	0.7
133.10100	0.4
135.08023	0.8
135.11676	2.0
141.06964	0.6
145.06491	1.2
145.10094	1.7
149.01241	0.3
153.06992	1.2
153.12727	1.1
155.08507	1.5
157.06479	100.0
158.06818	1.4
159.11739	0.4
163.11157	2.7
165.06987	4.2
167.08545	1.4
169.06482	0.7
169.10161	0.4
170.10846	0.3
171.07970	1.6
173.09604	0.6
177.06932	0.4
179.08543	2.0
180.03232	2.3
181.06502	0.7
181.12267	1.0
182.07190	1.6
183.08040	15.5
191.08498	0.5
191.10608	0.6
191.14262	2.1
194.07306	1.0
195.08080	3.8
197.09601	6.6
199.11203	0.3
209.09605	2.7
209.11632	0.8
223.11183	1.8
227.12762	2.5
229.30409	0.3
231.09097	0.5
233.15491	0.6
238.36185	0.3
264.63818	0.4
265.15680	1.9
265.21591	0.4
283.07642	0.7
283.17249	5.0
284.09579	0.6
284.12717	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1539
Annotation	Porellapinguisanolide
Peak:m/z	Relative Intensity
50.75486	0.7
53.03932	3.6
53.18111	0.7
54.88589	0.7
55.01870	5.6
55.05502	11.6
55.93513	0.8
56.96547	3.4
57.03430	11.8
57.07073	1.2
65.03925	1.9
67.05499	18.8
69.03414	2.9
69.07062	7.3
69.48259	6.8
70.06570	1.3
70.95875	0.8
71.04990	4.7
72.93761	1.1
73.02913	1.6
79.05486	27.8
81.03410	3.8
81.06573	1.5
81.07048	22.0
83.04955	3.9
83.08611	8.4
85.06530	1.4
90.94838	1.7
91.05466	10.0
93.07035	42.8
95.04967	10.9
95.08597	41.1
97.02865	5.0
97.06521	5.0
97.10174	0.8
99.04442	6.0
103.05460	1.3
105.07029	8.1
107.04956	10.7
107.08582	31.3
108.95799	0.8
109.02850	1.2
109.06509	2.8
109.10123	2.2
111.04433	2.2
111.08051	1.0
115.05472	0.8
117.07000	11.7
119.08572	9.6
121.02845	9.3
121.06511	5.6
121.10122	13.0
125.05985	3.4
129.07040	0.9
130.07779	2.4
131.08502	1.1
133.10124	1.9
135.08031	2.5
135.11678	50.0
137.13237	1.0
138.98370	0.7
139.07516	2.2
143.08553	1.6
144.99542	0.9
145.06528	1.1
145.10107	32.5
153.12715	1.1
157.87105	0.9
163.11166	75.7
173.09612	1.6
181.12218	17.1
191.10699	1.4
205.01552	1.1
205.38503	0.8
209.11720	1.4
225.02074	0.9
227.12761	100.0
228.13203	1.4
238.48479	0.8
239.09613	0.9
243.03159	1.6
257.10645	2.1
261.04218	11.9
265.07016	0.9
279.05215	2.2
283.08466	1.3
283.15408	19.8
283.20422	0.8
301.09583	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.1
55.01860	4.0
55.05505	10.2
57.03432	10.1
57.07081	0.8
61.41780	0.6
65.03923	1.6
67.05171	0.9
67.05498	16.0
69.03413	1.2
69.07059	7.1
71.04976	2.8
72.85222	0.6
73.02884	1.6
79.05488	25.2
81.03411	4.0
81.07051	18.7
83.01305	0.6
83.04979	3.7
83.08612	8.7
85.02898	1.3
85.06520	0.9
91.05476	8.9
93.07034	36.8
95.04964	9.2
95.08598	40.9
97.02874	4.9
97.06524	3.7
99.04456	4.8
103.05444	0.6
105.04445	0.6
105.07005	7.5
107.04942	14.8
107.08585	27.6
109.06522	1.7
109.10154	2.6
110.03397	0.6
111.04431	2.6
111.08068	1.4
115.05477	0.8
117.07004	10.7
119.08569	9.7
121.02862	12.8
121.06497	7.4
121.10133	12.8
123.28783	0.6
125.05961	2.5
130.07762	2.3
131.04951	0.6
131.08537	1.5
133.10138	3.6
135.08057	1.7
135.11681	47.4
139.03897	0.9
139.07513	1.3
145.06448	1.0
145.10104	29.2
153.12793	1.5
163.11165	69.5
164.11606	0.8
173.09584	1.5
181.12216	15.1
191.10628	0.7
208.84258	0.7
209.11748	2.5
227.12761	100.0
228.13187	1.5
283.10004	2.7
283.15384	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.4
53.23064	1.2
55.01867	8.2
55.05299	1.3
55.05510	14.2
57.03433	16.3
57.07051	1.7
59.31457	1.1
61.02921	1.5
61.43974	1.0
65.03934	4.3
67.05167	1.8
67.05504	29.5
69.03429	7.1
69.07063	12.2
69.72586	3.6
69.73017	4.7
70.06590	1.6
71.04979	3.4
72.08140	1.9
73.02923	1.9
79.05490	39.6
81.03412	12.8
81.07052	29.8
83.04971	7.6
83.08607	8.9
83.48907	1.3
85.02887	3.6
85.06525	2.4
89.06037	2.6
91.05478	18.4
92.96845	1.1
93.07036	51.1
95.04967	17.0
95.08601	46.4
97.02870	6.6
97.06509	7.6
97.10130	1.3
99.04463	5.8
103.05470	2.3
105.07016	11.7
107.04948	17.9
107.08588	29.3
108.05162	1.1
109.02869	3.3
109.06499	5.1
109.10141	3.4
111.04457	8.1
111.08059	2.8
113.06034	1.8
115.05457	2.8
117.07018	12.7
119.08565	12.4
121.02863	71.7
121.06486	8.0
121.10136	16.1
122.03133	1.5
123.08083	2.3
124.64847	1.3
125.05968	4.9
125.09614	1.5
125.60758	1.4
127.03933	1.2
130.07787	3.7
131.08563	2.7
133.10126	4.0
135.08006	4.2
135.11682	50.9
137.06017	1.7
139.03897	6.5
143.08546	1.8
145.06462	2.2
145.10109	33.7
146.97369	1.6
149.02336	1.2
149.09612	1.6
153.12758	2.4
155.08466	1.4
163.11174	75.7
164.11559	1.4
167.00012	1.9
173.09647	3.3
177.06560	1.5
181.12201	18.2
185.01047	1.3
191.10648	3.3
197.01059	1.4
198.07852	1.4
201.05453	1.9
209.11697	11.4
211.08545	1.2
211.25850	1.1
213.10243	3.6
225.06578	2.2
226.07286	4.2
227.12776	100.0
228.13091	2.7
229.09973	1.4
239.08327	1.2
239.18355	1.4
240.08669	1.7
241.09717	10.7
241.14542	1.6
255.11140	1.7
255.16054	1.5
265.06982	1.5
265.14429	1.4
283.10703	6.1
283.15417	24.6
283.20764	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	283.1539
Annotation	Porellapinguisanolide
Peak:m/z	Relative Intensity
51.50212	0.9
53.03931	3.1
55.01870	5.6
55.05508	16.6
55.47985	0.9
57.03436	11.7
57.07050	1.8
65.03938	2.4
67.05167	1.6
67.05502	27.2
69.03422	1.8
69.07066	8.2
70.16319	4.5
71.01347	1.1
71.04981	3.8
73.02884	2.2
77.03920	1.3
79.05490	34.8
81.03396	5.1
81.07052	23.2
83.04967	5.5
83.08618	9.0
85.06528	1.7
91.05475	11.0
93.07043	38.3
95.04966	10.3
95.08601	35.9
95.09067	0.7
95.09220	1.0
97.02876	4.5
97.06500	3.3
99.04439	4.0
103.05467	1.3
105.07027	8.7
107.04952	14.7
107.08586	30.0
109.06502	2.3
109.10144	3.4
111.04439	6.6
111.08095	1.3
117.07032	14.3
119.08563	9.2
121.02875	2.9
121.06496	6.5
121.10142	14.5
125.05997	2.8
126.03850	0.9
130.07774	3.3
131.08530	1.6
133.10107	3.0
135.08072	2.9
135.11684	50.4
139.07481	2.3
144.95833	1.7
145.09035	2.0
145.10123	31.9
153.12712	1.7
155.08588	1.7
163.11179	66.9
173.09575	2.7
181.12222	16.3
191.10661	3.8
209.11708	7.5
219.07941	1.1
227.03696	1.5
227.12772	100.0
228.13200	1.4
265.05087	1.0
265.08453	1.2
283.06302	3.0
283.15384	27.6
283.20438	1.7
299.60330	1.2
301.07294	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.5
55.01855	4.4
55.05501	13.3
57.03434	11.7
57.07057	1.0
65.03912	1.2
66.98405	1.0
67.05497	17.8
69.03419	1.9
69.07057	8.8
69.68037	7.8
71.04978	3.7
79.05483	31.4
81.03419	1.9
81.07050	20.9
83.04956	4.4
83.08615	9.2
89.06021	2.5
91.05470	9.4
91.28440	1.0
93.07033	41.0
93.07622	2.1
95.04974	7.8
95.08595	45.5
97.02886	4.6
97.06516	3.8
99.04438	3.8
105.07018	9.7
107.04944	11.4
107.08581	31.2
109.06472	2.4
109.10127	2.6
111.04419	2.1
111.08102	2.3
111.99250	0.9
114.78604	0.9
117.06990	11.3
119.08555	10.7
121.06487	6.8
121.10123	14.1
125.05959	4.2
128.77757	1.0
130.07750	3.6
131.08517	1.6
133.10112	3.2
135.08020	2.6
135.11678	49.8
139.07480	1.7
143.08656	1.2
145.10110	30.4
153.12654	1.8
157.10022	0.9
157.76698	0.9
163.11157	72.8
164.11493	2.1
171.51888	0.9
173.09489	1.1
177.62138	1.1
181.12210	14.8
191.10561	1.3
193.41399	0.9
197.97946	1.0
209.11594	1.5
219.48894	1.0
227.12747	100.0
228.12959	1.4
229.99472	1.0
283.15366	19.5
283.20264	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.4
55.01871	5.6
55.05507	14.3
56.48354	1.1
57.03435	14.2
57.07068	6.0
59.42524	1.3
67.05502	23.1
69.03419	2.0
69.07050	8.7
71.04974	4.7
71.08631	3.5
71.44138	1.7
73.02911	1.6
73.38607	1.5
79.05484	32.9
81.03406	4.8
81.07048	24.3
83.04973	6.1
83.08599	14.1
85.10130	1.6
89.06054	1.6
91.05470	15.2
93.07036	44.0
95.04955	11.7
95.08597	47.6
97.02884	3.7
97.06547	3.2
99.04447	5.5
103.05468	2.1
105.07032	10.7
107.04933	10.6
107.08586	27.8
109.06535	2.9
109.10138	5.1
111.04428	2.8
111.08116	1.7
117.07015	15.2
117.40628	1.4
119.08569	15.8
119.26196	1.7
121.06474	8.0
121.10140	16.3
123.11710	1.3
125.05994	4.4
130.07797	2.3
131.08577	2.6
133.10156	3.7
135.08032	2.6
135.10664	3.1
135.11688	57.3
143.08540	1.7
145.10121	34.5
149.09572	1.9
153.12679	1.8
163.11177	83.1
164.11537	2.3
171.11833	1.7
172.95204	8.1
173.09637	1.6
181.12225	20.5
181.65578	1.3
190.96320	7.4
191.10715	2.7
209.11638	3.2
227.12767	100.0
228.97868	3.0
246.98940	5.0
253.12694	1.4
254.24127	1.4
265.19257	1.5
271.12393	1.9
283.15350	22.7
283.20313	1.8
303.01630	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	283.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17238	0.9
51.66924	0.9
53.03937	2.9
55.01855	4.3
55.05249	1.5
55.05502	12.4
57.03430	13.1
57.07069	7.5
65.03947	1.1
67.05161	1.6
67.05500	19.9
69.03419	2.1
69.07059	9.3
69.26865	3.4
69.27287	9.3
71.04980	2.6
71.08626	2.4
76.04880	1.0
79.05054	1.9
79.05484	29.6
81.03410	4.5
81.07052	21.8
83.04978	5.9
83.08608	9.9
85.10186	1.7
91.05468	12.2
93.07035	45.1
95.04961	9.6
95.08598	46.9
97.02892	6.1
97.06525	4.8
97.10152	2.5
98.21452	2.0
99.04446	4.7
105.07027	10.3
107.04955	10.4
107.08586	28.4
109.06509	3.4
109.10139	4.7
111.04432	2.2
117.06987	13.7
119.08549	11.5
121.06504	6.8
121.10137	17.6
123.11713	1.1
125.05974	4.3
129.07047	1.2
130.07779	2.3
131.08569	2.6
133.10112	3.2
135.08047	2.1
135.11681	55.2
139.07532	2.5
139.11151	1.0
143.00710	3.2
143.08569	1.4
145.10117	30.9
149.09697	1.1
153.12843	1.3
154.94168	2.7
162.60484	1.1
163.11166	74.9
164.11536	1.2
172.95308	7.7
173.09651	2.0
181.12212	16.1
190.96309	6.8
191.10660	1.8
209.11722	3.0
219.72598	1.2
227.12762	100.0
228.13153	1.2
228.97784	3.9
246.98941	4.8
248.10147	1.1
261.12527	1.1
283.15402	21.6
283.20367	2.3
303.01547	1.4
304.69049	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.3
55.01874	5.5
55.05506	15.3
57.03187	1.2
57.03434	12.4
57.07070	7.1
63.60281	1.1
65.03914	1.9
67.05165	2.0
67.05499	24.2
67.46741	1.1
69.03410	3.0
69.07058	10.9
71.04978	3.6
71.08627	6.0
71.59113	1.5
73.02904	2.2
79.05056	2.5
79.05486	32.9
81.03412	4.2
81.07048	26.7
83.04974	6.6
83.08611	10.5
85.10175	2.3
89.05996	1.2
91.05465	12.0
93.03369	1.5
93.07035	50.7
93.07621	2.5
95.04970	11.2
95.08601	46.7
97.02869	6.5
97.06525	6.6
97.10133	1.9
99.04435	4.5
105.07019	11.6
107.04939	13.8
107.08585	35.3
109.06496	2.7
109.10146	5.1
111.04424	3.6
111.08060	2.3
115.05514	1.4
115.09818	1.1
117.07015	11.7
119.08566	12.8
121.06496	8.6
121.10141	17.0
123.11654	2.0
125.01544	1.2
125.05976	3.8
127.01247	1.9
129.06943	1.7
130.07785	3.3
131.08488	1.9
133.10112	3.6
135.08040	3.3
135.11679	56.7
136.93111	1.3
139.07524	1.9
143.08501	2.5
145.10115	33.1
153.12715	3.0
154.94231	2.2
157.10130	1.5
163.11169	72.7
172.95206	10.0
173.09587	3.1
181.12231	16.2
190.96246	10.2
191.10538	1.3
207.11948	1.5
209.11740	4.1
223.14571	1.2
227.12762	100.0
228.97885	5.2
231.02071	2.2
233.01775	2.2
239.23624	1.4
239.73137	1.4
246.98883	10.3
247.03268	2.2
270.00467	1.6
278.59149	1.2
283.00937	2.7
283.15356	24.9
283.20355	2.9
285.00592	2.3
303.01376	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17238	0.9
51.66924	0.9
53.03937	2.9
55.01855	4.3
55.05249	1.5
55.05502	12.4
57.03430	13.1
57.07069	7.5
65.03947	1.1
67.05161	1.6
67.05500	19.9
69.03419	2.1
69.07059	9.3
69.26865	3.4
69.27287	9.3
71.04980	2.6
71.08626	2.4
76.04880	1.0
79.05054	1.9
79.05484	29.6
81.03410	4.5
81.07052	21.8
83.04978	5.9
83.08608	9.9
85.10186	1.7
91.05468	12.2
93.07035	45.1
95.04961	9.6
95.08598	46.9
97.02892	6.1
97.06525	4.8
97.10152	2.5
98.21452	2.0
99.04446	4.7
105.07027	10.3
107.04955	10.4
107.08586	28.4
109.06509	3.4
109.10139	4.7
111.04432	2.2
117.06987	13.7
119.08549	11.5
121.06504	6.8
121.10137	17.6
123.11713	1.1
125.05974	4.3
129.07047	1.2
130.07779	2.3
131.08569	2.6
133.10112	3.2
135.08047	2.1
135.11681	55.2
139.07532	2.5
139.11151	1.0
143.00710	3.2
143.08569	1.4
145.10117	30.9
149.09697	1.1
153.12843	1.3
154.94168	2.7
162.60484	1.1
163.11166	74.9
164.11536	1.2
172.95308	7.7
173.09651	2.0
181.12212	16.1
190.96309	6.8
191.10660	1.8
209.11722	3.0
219.72598	1.2
227.12762	100.0
228.13153	1.2
228.97784	3.9
246.98941	4.8
248.10147	1.1
261.12527	1.1
283.15402	21.6
283.20367	2.3
303.01547	1.4
304.69049	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.4
55.01852	6.4
55.05505	16.1
57.03434	15.4
57.07055	6.2
61.93270	1.4
67.05164	2.9
67.05498	26.0
67.05834	3.1
69.07059	11.6
70.50243	3.0
70.50617	3.7
71.04976	5.4
71.08602	2.7
73.46216	1.5
74.04853	1.5
79.05064	2.7
79.05491	39.7
81.03400	2.9
81.07056	31.0
83.04950	5.2
83.08626	10.2
87.71661	1.5
89.06023	3.1
91.05466	17.6
93.07036	51.4
95.04980	11.8
95.08598	47.6
97.02867	5.8
97.06506	6.4
97.10150	2.6
99.04444	5.3
103.05486	1.6
105.07009	13.8
105.97860	1.6
106.40771	1.6
107.04958	13.3
107.08583	34.4
109.06532	2.5
109.10154	4.7
111.04429	3.8
111.08086	2.4
116.37794	1.5
117.07009	13.9
119.08588	15.2
121.06528	8.0
121.10133	18.9
125.05950	2.7
129.07016	2.4
130.07776	4.6
131.08563	5.6
133.10089	4.3
135.08078	3.0
135.11682	57.4
135.12700	3.6
143.08524	2.0
145.06470	2.9
145.10095	37.4
145.67372	1.6
147.11598	2.7
153.12785	2.8
157.10132	3.3
163.11177	76.9
171.11734	2.4
173.13193	5.7
181.12222	16.3
185.13208	1.9
191.10704	4.0
209.11609	2.2
209.13364	1.9
227.12756	100.0
248.11940	1.9
283.15436	31.2
283.20483	6.2
283.28253	37.5
289.75201	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.7
55.01862	8.3
55.05506	19.3
56.96555	1.5
57.03434	18.4
57.07047	2.4
65.03930	6.3
67.05170	2.4
67.05501	34.5
68.07317	1.4
69.03434	7.3
69.07061	11.9
69.80187	3.0
69.80599	6.6
70.06601	2.2
71.01322	1.7
71.04990	7.8
72.08123	1.9
73.02906	3.9
79.05489	45.0
81.03415	17.6
81.07053	37.8
83.04976	11.0
83.08608	12.5
84.08134	1.9
85.02882	6.1
85.06551	1.8
91.04956	2.1
91.05479	24.5
93.07036	57.8
95.04961	20.8
95.08598	49.2
97.02921	9.0
97.06535	10.6
97.10162	2.5
99.04425	7.2
103.05475	2.4
105.07027	13.7
107.04945	26.0
107.08582	37.3
109.02849	3.6
109.06489	6.4
109.10139	6.0
111.04421	10.4
111.08053	3.3
113.09671	1.8
114.40108	1.4
117.07017	15.7
119.08582	13.5
121.02856	92.9
121.06505	9.2
121.10149	15.6
123.04350	1.7
123.11707	1.7
125.05964	5.4
129.06984	3.0
130.07733	2.1
131.08563	3.1
133.10126	4.1
135.08092	3.5
135.11682	62.6
137.09538	2.0
139.03908	5.9
143.08492	2.9
145.10109	42.0
147.07974	1.8
148.03926	3.2
149.02373	2.9
149.09613	3.1
153.12723	2.3
155.08554	2.4
160.07492	2.7
163.11168	76.4
167.00070	2.3
173.09616	4.3
177.06644	2.3
181.12245	18.8
191.10651	3.7
197.01114	2.5
201.05455	3.9
209.11729	14.8
226.07332	2.8
227.12770	100.0
239.08757	2.1
241.09636	10.4
241.11955	2.3
255.11151	3.3
265.06995	2.8
283.10388	7.3
283.15457	35.8
283.20547	3.0
286.61514	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1518
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
51.64282	0.9
53.03929	1.6
55.01860	4.4
55.05503	9.6
57.03432	10.1
57.99279	1.0
59.04984	0.8
61.36774	0.8
63.64074	0.9
64.00906	0.9
67.05497	16.6
69.03403	1.3
69.07063	6.6
70.10246	1.9
70.10663	3.7
71.04985	1.9
72.93779	2.1
79.05058	1.6
79.05487	23.6
79.22930	1.0
80.47457	1.0
81.03411	3.9
81.07053	17.4
83.04966	4.0
83.08613	6.4
84.75874	0.9
90.74020	0.9
91.05468	9.6
93.07035	35.3
95.04970	8.5
95.08597	29.2
97.02884	3.1
97.06513	3.8
97.10188	1.6
99.04456	2.9
105.07026	8.0
107.04961	10.7
107.08582	22.7
109.06533	1.9
109.10152	1.9
109.78565	1.0
111.04445	1.7
117.07002	8.5
119.08577	7.4
119.45784	1.0
121.02857	2.2
121.06512	5.3
121.10128	11.2
125.05975	1.0
133.10120	2.0
134.09636	0.9
135.08044	2.5
135.11681	38.8
145.10117	20.8
153.12738	1.2
163.11169	51.6
180.41136	1.0
181.12213	12.3
187.08197	2.9
198.41365	1.0
209.11620	2.3
213.09795	1.2
227.12769	63.0
228.13011	1.3
233.11520	3.3
251.11227	3.2
265.14142	1.6
269.12329	17.2
270.12689	1.5
283.06497	6.2
283.15179	100.0
284.15530	1.5
301.15176	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.9
56.05024	1.0
57.07068	0.7
60.04500	0.7
67.05487	1.0
69.03420	1.3
69.07053	1.6
70.06240	0.8
70.06586	5.0
70.80846	0.5
72.08153	1.4
74.00632	0.5
76.03986	1.0
76.74578	0.6
79.05476	1.5
81.03416	0.7
81.07035	0.9
82.77485	0.5
84.04504	17.0
84.08123	2.2
85.02901	1.3
89.05963	0.5
91.05451	1.1
93.07009	0.8
94.04165	1.6
95.04944	0.8
95.75949	0.6
97.02875	0.7
97.06553	0.5
98.21488	0.6
100.02182	1.7
101.07129	1.4
102.05523	0.6
107.04952	4.9
110.07152	1.6
120.08053	1.3
121.02869	8.0
122.02823	0.7
122.03655	5.6
122.06002	0.7
127.03889	0.9
129.10207	0.9
130.05003	23.7
136.06197	11.5
136.07524	1.2
137.05954	100.0
138.06279	2.0
142.08653	0.7
146.02689	0.9
147.07646	14.9
150.05525	1.0
184.04349	0.6
190.41443	0.5
192.08926	1.3
220.08382	0.8
247.24464	0.6
268.97739	1.9
283.12674	1.1
285.00815	1.1
301.06003	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.3
53.37994	0.2
54.88824	0.3
55.01855	0.3
55.05495	0.6
56.05011	0.7
56.96547	0.4
59.33149	0.3
61.01124	0.4
63.48191	0.2
66.04695	0.4
67.05489	0.5
69.07053	0.5
69.83624	1.5
70.06593	3.4
72.08161	2.2
79.05488	1.1
81.07050	0.8
84.04499	5.6
84.08130	2.4
86.09702	2.2
91.04973	0.3
91.05458	1.5
93.07045	0.4
94.04182	1.9
95.04977	0.5
95.08584	0.3
98.06065	0.4
101.54833	0.3
102.05495	0.4
102.46112	0.3
103.05447	0.4
105.07044	0.4
107.04952	6.5
108.05285	0.2
109.06495	0.9
110.07170	1.3
120.08118	2.4
121.02865	0.4
121.06503	0.8
121.08403	0.5
121.10135	0.3
122.03648	5.5
123.04437	0.3
129.10280	1.3
130.05008	2.9
131.04929	0.5
131.08577	0.3
133.06487	0.5
136.07552	0.7
137.05965	100.0
138.06319	1.8
145.06470	0.4
145.10126	0.3
147.07674	1.1
148.04218	1.5
154.08574	0.4
156.07626	0.5
157.06612	0.3
163.11220	0.3
184.07314	0.5
227.12729	0.3
237.12447	0.3
252.10890	0.3
266.10278	0.8
283.10190	0.3
283.12854	1.9
283.15558	0.4
285.00827	0.3
301.05975	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0965
Annotation	Eutypoid B
Peak:m/z	Relative Intensity
53.03945	2.4
55.01871	14.8
55.05513	5.2
57.03431	4.4
65.03947	1.8
67.05506	14.5
69.03409	1.4
69.07073	3.3
70.06584	1.5
70.14440	4.8
71.05002	1.9
79.05491	13.3
81.03419	4.1
81.07053	10.5
83.04984	4.5
83.08611	2.5
85.02884	2.0
85.06553	1.4
88.26364	1.1
91.05478	17.7
93.07048	9.1
95.04982	10.1
95.08595	4.2
97.06529	2.4
98.97537	1.3
103.05474	3.0
105.07040	5.0
106.67384	1.0
107.04953	43.3
107.08595	5.4
109.06525	2.3
111.04448	4.5
115.05449	34.5
117.07006	5.3
119.04951	10.0
119.08583	4.2
120.05721	22.8
121.02874	18.4
121.06487	2.9
121.10118	7.1
123.04420	4.3
129.06984	1.5
131.04927	10.7
131.08574	2.8
133.06516	3.0
135.11661	7.9
141.01588	1.2
143.04916	25.2
143.05983	2.0
143.08574	1.5
144.05710	18.2
145.06482	9.9
145.10135	7.7
147.04410	1.4
147.08116	1.7
149.09595	1.8
152.06232	1.7
153.07063	1.5
153.12775	1.7
155.06078	1.7
155.08595	3.1
159.04494	2.0
161.05962	6.9
163.11157	9.8
165.07021	7.3
166.07791	6.2
167.08588	1.9
171.04393	33.5
173.09647	6.4
177.06937	1.9
181.06488	8.8
181.10150	6.6
181.12178	2.4
189.05435	2.4
189.07025	8.2
189.08586	1.0
190.07790	17.6
191.08546	35.2
191.10655	4.1
192.08954	3.4
194.07272	16.3
195.08025	4.8
200.06137	1.8
201.07034	3.5
202.07729	5.4
205.06499	5.5
207.08055	1.9
209.09634	13.1
209.11751	3.2
218.07251	15.5
219.08044	64.8
220.08536	4.2
221.05882	1.8
222.06813	2.0
223.07574	10.6
224.08348	1.3
225.09029	1.6
227.12822	5.1
229.07578	5.6
235.07495	2.4
236.08327	4.2
237.09099	61.2
239.10741	1.5
241.08595	2.5
247.07520	52.0
248.08241	4.5
250.06299	2.9
265.08591	100.0
266.08865	2.7
266.12665	2.1
283.09619	12.2
283.15555	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	283.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80632	0.3
53.03933	1.5
55.01865	1.3
55.05504	0.6
57.03436	1.7
65.03944	2.8
67.05498	2.5
69.03423	4.5
69.07060	0.7
71.04972	0.7
71.06876	0.6
73.02932	0.3
79.05487	2.4
81.03413	9.2
81.07059	1.7
81.39681	0.2
83.04959	0.7
83.08595	0.5
85.02898	5.6
91.05481	1.1
93.07034	2.0
95.04964	6.6
95.08605	0.5
97.02882	1.8
97.06494	0.5
99.04433	1.1
105.07028	0.7
105.71851	0.3
107.04944	2.5
107.08591	1.0
109.02876	3.7
111.04435	4.0
115.05462	0.3
117.06979	0.6
119.08621	0.7
121.02861	100.0
121.10149	1.3
121.63457	0.3
122.03197	0.9
127.03872	1.3
131.04932	0.3
132.83081	0.3
135.11668	1.8
138.76166	0.3
139.03897	7.8
145.06500	0.4
145.10097	1.7
149.09712	0.3
155.08577	0.4
163.11195	2.2
173.09637	1.1
181.12236	0.9
186.89778	0.3
191.10625	0.8
201.05531	0.3
209.11766	1.0
227.12791	0.8
237.09126	0.3
238.58191	0.3
247.07541	0.4
265.06961	4.1
265.09341	0.3
271.68509	0.3
283.08148	0.8
283.15533	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0964
Annotation	Eutypoid B
Peak:m/z	Relative Intensity
55.01871	15.6
67.05491	2.6
70.29984	5.2
71.08595	1.3
79.05486	3.8
81.07061	1.6
91.05489	13.2
93.07062	2.4
95.04956	4.5
95.08613	2.9
103.05458	1.8
105.07023	2.9
107.04947	25.2
107.08596	1.7
111.08113	1.5
115.05449	31.5
117.03353	1.6
117.07017	3.5
119.04955	10.6
119.08524	1.3
120.05733	24.8
121.02869	7.7
123.04430	2.2
131.04927	5.5
133.06477	2.5
143.04927	23.7
144.05705	15.8
145.06465	5.7
149.05957	1.2
151.07538	2.4
153.06961	1.3
155.05995	1.7
157.06386	1.4
161.05972	8.1
163.11234	1.4
165.06998	8.3
166.07782	5.6
167.08575	2.3
169.08537	1.6
171.04416	33.3
171.05463	1.5
177.07016	1.5
181.06508	7.9
181.10060	3.8
189.05499	1.9
189.07028	6.5
190.07777	13.7
191.08565	30.9
194.07281	15.9
195.08060	5.6
201.07007	3.3
202.07729	5.0
205.06497	4.7
207.08057	1.7
208.08769	1.6
209.09622	11.2
218.07262	14.0
219.08047	60.7
220.03004	1.2
220.08626	4.8
221.05949	2.6
222.06770	2.1
223.07527	7.9
229.07721	6.3
233.06099	1.3
234.73418	1.3
235.07524	2.5
236.08257	1.8
237.09105	53.6
241.08554	2.2
247.07523	52.3
248.08141	2.5
250.06165	3.3
265.08603	100.0
266.08948	3.2
269.12326	2.9
283.09692	9.7
283.15164	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	282.2789
Annotation	Dodemorph
Peak:m/z	Relative Intensity
51.79471	0.1
54.34229	0.1
55.05511	0.7
57.07076	7.1
64.48165	0.1
67.05489	0.5
69.07072	0.7
71.08633	3.2
71.58511	0.1
72.04505	0.3
79.05508	0.1
81.07059	0.6
83.08605	0.4
85.05324	0.4
85.10186	1.3
86.06058	0.2
95.08600	0.5
97.10160	0.1
97.20597	0.1
98.06030	0.9
107.04976	0.2
109.10162	0.2
112.07618	0.1
188.07068	0.1
189.82928	0.1
190.07799	0.2
191.08485	1.0
192.08955	0.2
219.08054	0.8
220.08546	0.2
234.10341	0.2
234.68639	0.1
236.08321	0.2
250.09871	0.2
251.10712	0.8
265.12292	0.5
269.28952	0.1
282.27905	100.0
283.25061	0.2
283.28247	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	283.081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42075	0.3
53.03935	1.2
55.01864	1.0
55.05505	1.4
55.96211	0.3
56.96552	0.8
57.03419	1.3
61.02920	0.4
65.03936	3.2
67.05508	1.8
69.03422	4.4
69.07062	0.9
70.04073	0.5
70.06585	0.9
71.04973	1.0
71.06921	0.3
71.59940	0.4
72.08125	0.5
73.02895	0.4
79.05495	2.4
81.03415	8.2
81.07056	1.8
83.04980	0.8
83.08600	0.9
85.02901	5.0
87.04457	0.7
88.64735	0.3
89.06029	0.7
91.05467	1.0
93.07038	2.0
95.04958	5.1
95.08590	1.5
97.02886	2.3
97.06516	1.1
98.06052	0.4
99.04445	1.4
103.76452	0.4
105.07015	0.9
107.04944	3.2
107.08595	1.1
109.02879	3.8
109.06482	0.5
109.10159	0.6
111.04430	4.3
119.08569	0.6
121.02858	100.0
121.10100	0.6
122.03177	1.1
127.03912	1.4
129.06960	0.4
131.08557	0.5
133.08636	0.3
135.11670	1.4
139.03885	7.0
145.10109	1.3
153.12813	0.5
163.11169	1.2
173.09505	0.5
181.12239	0.5
185.13597	0.4
185.79370	0.3
192.08098	1.2
201.45659	0.3
208.09918	0.3
209.10680	5.4
216.08188	0.4
222.07915	1.1
222.31297	0.3
223.11047	0.3
227.12804	0.8
237.10219	8.6
245.65105	0.3
255.11143	0.4
265.07083	4.2
265.09714	2.8
283.05994	0.7
283.10971	2.4
283.15448	1.4
283.20859	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18192	0.3
54.60752	0.3
55.05486	0.9
56.05027	0.4
57.03415	0.8
67.05484	1.2
68.05009	0.6
69.03406	0.6
69.07047	0.7
69.16338	0.3
69.50336	2.6
70.04057	0.4
70.06577	0.7
72.08134	0.5
73.34489	0.3
79.05480	1.2
79.23193	0.3
80.05008	1.8
81.03393	0.7
81.07046	2.1
81.60860	0.4
82.06545	0.5
84.04477	0.7
84.08119	0.5
85.02876	0.3
86.06071	0.7
87.04463	15.1
87.89858	0.3
91.05466	1.2
93.07051	2.9
95.04955	0.5
95.08607	1.6
96.08092	0.8
97.02890	0.3
98.06046	1.3
105.07034	0.5
107.04954	1.5
107.08590	2.0
108.08112	1.9
109.08892	0.4
109.10122	0.4
110.09682	1.9
121.02857	0.8
121.10106	0.8
122.09660	1.9
123.10418	1.0
123.11691	0.7
124.07618	0.6
124.11201	1.0
131.08571	0.4
133.10020	0.4
135.11673	3.2
136.07558	0.6
136.11200	1.3
137.13223	0.5
145.10114	0.5
148.36217	0.3
150.12764	3.1
151.13512	0.7
152.14339	13.3
163.11169	1.0
164.10660	0.4
166.08611	3.1
180.10196	0.9
181.10910	0.6
184.09671	0.9
184.13300	1.1
191.10646	0.3
194.11769	2.9
194.57512	0.3
195.12245	0.3
196.13361	1.7
196.16911	0.4
208.13338	3.6
209.14027	1.3
210.14874	0.7
214.99933	0.3
217.36598	0.3
220.16939	0.4
227.12862	0.4
236.16418	0.5
238.17999	100.0
239.18369	2.6
240.19579	0.9
282.20621	74.0
283.15494	1.0
283.20950	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
55.01855	1.0
55.05519	3.3
56.05027	2.2
57.03432	1.1
59.19303	0.7
67.05504	4.3
69.07063	1.7
69.55878	2.8
69.56306	3.0
70.06582	3.2
71.05012	0.8
72.04511	2.2
72.08160	1.7
72.93764	1.0
73.06543	1.3
79.05499	5.2
80.05004	1.2
81.03406	3.4
81.07053	5.5
82.06565	0.9
83.04982	1.3
83.08652	1.0
84.04491	1.5
84.08139	0.9
85.02905	1.1
86.99073	0.9
87.04458	4.5
88.03989	1.0
89.06026	100.0
90.05553	2.3
91.05482	4.0
91.07607	0.8
92.05840	0.9
93.07053	3.0
94.06574	1.6
95.04951	2.5
95.08602	2.1
97.06545	1.2
98.06059	0.8
98.97597	0.9
103.05467	3.0
104.05814	0.7
105.07020	4.3
107.04948	46.2
107.07049	5.6
107.08571	1.3
107.37824	0.7
108.05278	6.9
109.06505	0.9
109.27380	0.6
114.60670	0.7
115.05453	1.5
117.07031	1.4
118.06579	0.8
118.07388	1.1
119.04944	1.6
119.08556	1.3
120.05256	0.9
120.08108	8.0
121.02851	1.6
121.06486	0.9
121.10157	1.2
123.04461	1.2
129.07045	1.0
130.08687	0.8
131.04929	1.1
131.07010	1.0
131.08586	2.2
132.01164	1.4
132.08119	1.7
133.08600	34.9
133.10121	1.6
136.07558	1.2
137.06015	1.7
141.69678	0.7
145.02821	0.9
145.06464	4.4
146.06882	3.7
147.04410	2.1
148.04767	2.8
148.07579	1.7
149.06006	1.4
149.09674	0.9
153.12752	0.9
157.06477	1.7
158.02695	1.5
158.06856	2.3
163.11151	1.3
166.07271	2.6
173.09644	0.8
174.12776	8.1
176.03716	3.8
177.11212	28.3
182.15443	1.4
191.10683	0.9
192.13823	1.3
209.11795	1.8
210.14880	21.8
220.13309	11.4
221.13661	1.0
236.16583	1.3
238.14413	1.4
252.10895	1.5
254.17574	3.4
264.11179	1.1
264.15942	1.1
265.16522	2.2
282.07367	0.9
282.13272	2.6
282.16885	2.4
282.19205	27.5
283.06271	1.8
283.17657	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	282.1488
Annotation	Pisoniamide
Peak:m/z	Relative Intensity
51.63992	0.3
53.03938	1.1
55.01868	0.9
55.05508	2.2
55.93520	2.7
56.94304	1.0
56.96559	1.5
57.03421	0.9
57.07074	0.5
59.04988	0.4
65.03916	0.4
67.05502	2.0
69.03426	0.7
69.07060	1.4
70.00320	1.5
70.04061	2.5
70.95855	1.2
71.04975	0.4
71.93015	0.6
72.93790	4.0
77.03947	0.4
79.05486	31.4
80.05795	0.7
81.03404	1.6
81.07054	3.2
83.04968	0.5
83.08630	0.8
86.06078	0.9
87.04461	0.7
87.25970	0.3
88.96902	0.9
90.94812	2.9
91.05477	3.2
92.05817	0.6
93.07043	4.5
95.04961	3.2
95.08604	2.7
96.08990	0.3
97.02887	0.4
98.06049	0.4
98.97581	1.3
100.11209	0.4
103.05458	68.2
104.05791	1.3
104.07095	1.2
104.96375	0.4
105.07021	4.9
105.07667	0.4
107.04943	50.8
107.08575	5.7
108.05280	10.5
108.95853	1.4
109.06526	0.5
109.10144	1.0
112.07587	0.4
113.01543	0.5
115.05428	0.9
116.88055	0.3
116.98618	0.8
117.07024	2.4
118.06547	3.3
118.07293	0.6
119.04901	0.5
119.07303	3.5
119.08575	1.5
120.04429	2.4
121.02827	1.6
121.06491	2.5
121.10131	0.7
124.07545	0.4
125.01529	1.0
125.96152	0.6
128.06186	0.3
128.96378	0.8
129.06975	0.5
130.06502	0.4
130.07343	0.9
130.97855	0.5
131.04918	28.2
132.05222	3.0
132.08101	0.7
133.10136	0.7
134.09641	59.2
134.97380	0.7
134.99646	0.7
135.10014	0.5
135.11679	1.3
142.97925	0.6
144.95734	0.4
144.99469	0.5
145.06485	3.3
145.10159	0.8
146.06807	4.5
146.09604	0.5
146.97383	1.1
148.98943	1.0
149.05988	2.7
149.13235	2.7
150.96906	0.4
151.14685	0.5
156.99423	0.7
157.06488	1.4
158.06804	1.5
158.97499	0.6
159.01051	0.7
160.98947	0.5
161.13229	1.4
162.96890	0.7
163.11157	1.7
164.99915	0.7
165.03725	0.5
166.97900	0.7
169.06459	0.7
170.06801	1.2
172.98955	1.3
175.00592	0.5
177.00697	0.5
179.14304	0.7
184.13351	1.7
184.98953	1.0
189.03601	0.4
191.08434	0.5
192.94559	1.1
192.99524	0.7
195.76157	0.4
196.99023	0.4
199.02071	0.7
201.02002	0.6
203.08092	0.7
207.01030	0.8
208.08449	0.6
213.01941	0.4
218.10577	0.4
219.07819	0.9
220.08478	0.6
221.09293	0.8
222.09254	0.6
224.07770	0.5
224.11473	0.4
227.03668	0.4
227.12802	1.6
229.05179	0.6
234.10242	1.6
235.07603	1.7
236.11652	0.8
237.05782	0.4
237.08560	0.6
239.03473	0.4
246.09801	0.6
248.07745	0.5
249.08588	0.6
250.09744	1.8
251.10562	0.7
252.10963	4.0
257.04626	0.8
258.14624	0.4
259.06268	8.5
261.01816	0.5
264.10941	1.7
264.14740	0.5
265.02744	0.5
265.05124	2.6
265.12228	4.5
273.15308	1.0
277.07376	0.5
281.99585	1.5
282.14850	100.0
283.06238	13.8
283.09412	0.7
283.15204	3.5
301.07303	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	282.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46971	0.7
53.03945	1.1
55.52355	0.7
56.96566	0.8
68.05026	1.0
69.03426	2.0
70.06592	7.2
70.72248	2.5
79.05492	1.4
84.08125	1.7
86.09734	0.9
87.04466	24.3
90.05556	7.8
95.04976	1.6
95.06122	1.1
98.06056	59.2
107.04955	100.0
108.05280	1.2
116.07089	3.4
120.08125	3.1
121.02829	0.9
126.05514	22.8
128.96260	0.7
136.07527	0.7
148.07616	1.2
158.08122	10.4
176.09187	75.2
177.09486	1.0
200.70786	0.8
282.13428	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63992	0.3
53.03938	1.1
55.01868	0.9
55.05508	2.2
55.93520	2.7
56.94304	1.0
56.96559	1.5
57.03421	0.9
57.07074	0.5
59.04988	0.4
65.03916	0.4
67.05502	2.0
69.03426	0.7
69.07060	1.4
70.00320	1.5
70.04061	2.5
70.95855	1.2
71.04975	0.4
71.93015	0.6
72.93790	4.0
77.03947	0.4
79.05486	31.4
80.05795	0.7
81.03404	1.6
81.07054	3.2
83.04968	0.5
83.08630	0.8
86.06078	0.9
87.04461	0.7
87.25970	0.3
88.96902	0.9
90.94812	2.9
91.05477	3.2
92.05817	0.6
93.07043	4.5
95.04961	3.2
95.08604	2.7
96.08990	0.3
97.02887	0.4
98.06049	0.4
98.97581	1.3
100.11209	0.4
103.05458	68.2
104.05791	1.3
104.07095	1.2
104.96375	0.4
105.07021	4.9
105.07667	0.4
107.04943	50.8
107.08575	5.7
108.05280	10.5
108.95853	1.4
109.06526	0.5
109.10144	1.0
112.07587	0.4
113.01543	0.5
115.05428	0.9
116.88055	0.3
116.98618	0.8
117.07024	2.4
118.06547	3.3
118.07293	0.6
119.04901	0.5
119.07303	3.5
119.08575	1.5
120.04429	2.4
121.02827	1.6
121.06491	2.5
121.10131	0.7
124.07545	0.4
125.01529	1.0
125.96152	0.6
128.06186	0.3
128.96378	0.8
129.06975	0.5
130.06502	0.4
130.07343	0.9
130.97855	0.5
131.04918	28.2
132.05222	3.0
132.08101	0.7
133.10136	0.7
134.09641	59.2
134.97380	0.7
134.99646	0.7
135.10014	0.5
135.11679	1.3
142.97925	0.6
144.95734	0.4
144.99469	0.5
145.06485	3.3
145.10159	0.8
146.06807	4.5
146.09604	0.5
146.97383	1.1
148.98943	1.0
149.05988	2.7
149.13235	2.7
150.96906	0.4
151.14685	0.5
156.99423	0.7
157.06488	1.4
158.06804	1.5
158.97499	0.6
159.01051	0.7
160.98947	0.5
161.13229	1.4
162.96890	0.7
163.11157	1.7
164.99915	0.7
165.03725	0.5
166.97900	0.7
169.06459	0.7
170.06801	1.2
172.98955	1.3
175.00592	0.5
177.00697	0.5
179.14304	0.7
184.13351	1.7
184.98953	1.0
189.03601	0.4
191.08434	0.5
192.94559	1.1
192.99524	0.7
195.76157	0.4
196.99023	0.4
199.02071	0.7
201.02002	0.6
203.08092	0.7
207.01030	0.8
208.08449	0.6
213.01941	0.4
218.10577	0.4
219.07819	0.9
220.08478	0.6
221.09293	0.8
222.09254	0.6
224.07770	0.5
224.11473	0.4
227.03668	0.4
227.12802	1.6
229.05179	0.6
234.10242	1.6
235.07603	1.7
236.11652	0.8
237.05782	0.4
237.08560	0.6
239.03473	0.4
246.09801	0.6
248.07745	0.5
249.08588	0.6
250.09744	1.8
251.10562	0.7
252.10963	4.0
257.04626	0.8
258.14624	0.4
259.06268	8.5
261.01816	0.5
264.10941	1.7
264.14740	0.5
265.02744	0.5
265.05124	2.6
265.12228	4.5
273.15308	1.0
277.07376	0.5
281.99585	1.5
282.14850	100.0
283.06238	13.8
283.09412	0.7
283.15204	3.5
301.07303	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	282.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.6
56.48523	0.3
61.98893	0.3
67.05508	0.3
70.02476	1.4
70.06583	0.6
71.04974	0.8
79.05478	1.4
80.04965	0.3
86.06075	0.4
89.06029	4.7
91.05486	1.5
93.07024	1.9
95.04963	2.4
97.06564	0.4
98.06081	0.4
98.21393	0.5
103.05487	1.5
105.07017	0.6
106.06527	0.7
107.04954	8.2
118.06521	0.4
119.04939	0.7
120.04426	0.4
120.08102	8.0
121.05245	0.4
121.05565	0.3
121.06503	5.1
122.06036	1.1
123.04414	3.3
124.07590	0.3
130.06525	5.4
131.04921	10.2
133.05229	4.3
133.08577	1.4
134.06000	1.2
136.06189	0.3
136.06561	0.4
136.07579	4.6
148.07565	100.0
149.05954	0.9
149.08362	11.6
150.09116	0.4
165.05447	0.4
166.08630	8.6
184.13383	0.3
194.08200	0.5
234.20184	0.3
264.12338	1.0
264.15784	0.5
271.82901	0.3
282.13397	8.2
282.16937	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
53.06947	0.9
55.01863	1.0
55.05506	3.9
56.96553	4.0
57.03435	1.5
57.07092	1.0
65.03932	1.3
67.05490	3.5
68.05833	1.4
68.19468	0.8
69.07060	1.1
70.04076	100.0
70.06572	1.0
71.59594	1.4
79.05481	3.7
80.05014	2.2
81.03398	1.4
81.07035	3.0
82.97521	0.9
83.04951	1.2
83.08629	2.3
91.05470	1.9
93.07023	3.3
94.06576	4.6
95.04986	1.1
95.08606	1.7
96.08943	0.9
97.06533	0.8
98.97592	1.8
105.07003	1.3
106.07359	1.0
107.04943	2.9
107.08584	1.5
108.08134	1.8
108.08912	1.1
109.10136	1.0
111.08092	1.1
116.98611	3.1
121.06511	1.5
121.10128	1.0
125.01571	1.1
129.01016	1.3
134.06006	2.9
134.09573	1.5
134.99614	3.3
141.01007	2.8
145.10049	0.9
152.07079	3.2
153.00743	2.0
176.14394	1.0
195.05664	0.9
202.94038	1.4
218.15469	1.5
226.12119	1.1
227.12659	1.4
231.08902	1.8
236.16512	7.4
238.12260	1.4
246.14897	2.4
257.10574	3.0
258.99719	1.4
259.06372	1.8
264.16089	1.9
269.10626	4.0
275.11618	3.7
277.00842	3.0
282.17422	5.2
282.18448	6.5
282.21860	2.1
287.11633	4.1
301.13156	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	282.1196
Annotation	2'-O-Methyladenosine
Peak:m/z	Relative Intensity
55.05504	0.5
56.96551	0.4
57.03427	0.9
62.06100	1.8
69.03421	2.0
69.07062	0.4
70.06581	1.2
70.58386	0.6
71.04967	0.5
72.04510	0.3
73.06564	0.3
78.03975	0.3
79.05468	0.4
80.22082	0.3
83.59415	0.3
84.08164	0.3
85.02881	0.4
86.09683	0.4
87.04453	0.8
88.07638	0.4
94.04044	0.6
95.04953	0.5
97.02910	0.7
97.06519	1.2
98.97560	0.3
101.06004	1.2
107.04952	29.3
108.05311	0.3
114.09165	6.5
116.07033	0.3
119.03547	1.2
121.02826	0.3
123.07944	0.4
124.08285	0.4
132.10202	9.1
134.09653	0.4
134.99629	0.4
136.06183	100.0
137.04596	1.1
137.05722	0.2
147.06544	0.4
148.07527	0.4
150.07759	0.3
158.11760	5.1
160.86221	0.3
168.32423	0.3
168.35701	0.3
176.09149	0.3
176.12823	6.1
202.42552	0.3
282.11890	2.2
282.16757	0.3
282.19501	0.4
282.22311	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27882	0.8
52.23770	0.7
55.05507	3.8
56.96565	4.2
57.07068	2.0
66.17629	0.8
67.05489	3.6
69.07056	2.0
70.04071	100.0
71.60333	0.9
72.93768	1.5
75.50732	0.8
76.07722	0.7
79.05482	3.0
80.05006	1.7
81.03411	1.1
81.07048	2.6
82.07406	1.0
83.08616	2.8
89.59068	0.8
91.05480	2.3
93.07034	2.2
94.06560	5.7
95.04955	2.2
95.08601	1.9
98.97574	1.8
105.07037	1.6
106.06524	2.6
107.04961	2.7
107.08612	1.2
108.08107	2.7
113.01588	1.0
116.98612	2.4
119.08591	1.0
119.11969	0.7
121.06480	2.0
124.07522	1.1
128.98637	0.8
129.01054	1.3
134.06036	1.4
134.09604	1.3
134.99658	2.6
135.11681	0.9
141.01006	4.0
143.00682	1.2
145.70155	0.9
152.07077	3.6
153.00830	0.9
172.12088	0.8
176.96275	0.9
185.05215	1.0
195.05615	1.4
202.00412	1.0
202.94086	2.2
218.15315	1.5
226.12306	1.1
227.12814	1.3
231.09111	1.8
236.16414	9.5
238.12039	1.0
246.14928	1.5
257.10632	2.7
258.99854	0.9
259.06134	1.7
260.09262	1.0
260.53281	0.8
264.15952	2.1
269.10620	4.4
275.11584	2.7
277.00845	2.0
282.17258	6.3
282.18362	5.0
282.21863	1.7
287.11719	3.6
301.13138	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.097
Annotation	4-Hydroxyphenylacetylglutamic acid
Peak:m/z	Relative Intensity
53.03928	0.8
64.90527	0.3
69.03446	0.3
70.06590	2.1
70.09457	1.1
77.19245	0.3
79.05495	1.0
85.02932	0.4
88.07600	0.3
95.04965	1.1
96.04493	0.5
98.20886	0.5
107.04948	100.0
108.05284	0.9
110.02449	0.3
111.44041	0.3
112.03959	0.3
113.07124	0.5
114.80132	0.3
115.08736	0.3
116.98647	0.3
120.08133	0.3
128.03401	0.5
130.04993	0.3
136.06203	1.2
140.03406	1.0
140.10446	0.3
150.07755	0.6
158.04498	1.2
159.07646	1.4
175.12349	0.3
176.05571	1.3
176.09193	1.0
176.12895	0.3
204.07491	0.3
236.09193	1.0
247.22102	0.3
250.86613	0.3
254.10258	0.6
282.09875	2.1
282.19104	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36191	0.6
55.01870	1.4
55.05501	1.3
56.05014	0.8
56.96554	1.2
65.48848	0.6
67.05499	1.4
69.07063	1.0
70.02947	1.3
70.06595	4.2
70.19418	2.4
70.19835	1.2
71.01344	2.1
72.08144	2.1
79.05481	2.5
81.07068	1.3
81.31211	0.6
84.04504	1.3
84.08157	3.6
86.09711	2.9
88.03989	0.8
89.02394	1.8
91.05454	4.0
93.07039	2.8
95.04969	2.2
98.02419	3.1
103.05464	16.0
104.05001	1.1
104.05775	1.2
104.10731	0.7
105.07021	1.4
107.04955	12.9
108.05300	5.4
110.07164	0.9
115.05451	1.3
117.07010	2.6
118.06510	0.8
119.04941	2.7
120.08105	100.0
121.08459	1.7
124.86565	0.7
128.06230	1.3
129.07010	3.8
129.10242	1.6
130.06529	1.5
130.08940	0.6
131.04942	5.1
132.05264	1.5
134.09688	1.0
134.99652	0.6
144.08043	3.7
145.06491	5.5
146.05914	1.6
146.06918	3.2
148.07576	1.7
154.06493	2.2
157.06482	7.4
166.07327	1.3
166.08647	3.7
172.07549	8.8
173.05954	1.2
182.05986	6.7
182.07199	0.6
184.07411	1.9
190.08690	11.9
191.08580	7.6
192.08893	0.8
193.03183	1.6
200.07072	20.0
200.08864	1.2
201.05542	1.7
203.08377	1.0
204.08832	0.7
205.03528	0.7
208.08446	0.9
218.08134	29.8
219.08063	7.7
220.08702	1.8
223.07684	0.7
228.06467	0.7
233.56172	0.6
234.10416	1.4
235.07507	1.8
236.09264	17.3
237.09032	1.0
238.09476	3.1
246.07680	5.9
246.09923	0.7
247.07796	0.8
250.09721	2.4
251.10641	6.1
252.11002	2.6
264.08615	2.4
264.11218	2.0
265.08893	1.2
265.12299	4.5
268.84921	0.7
282.11887	2.6
282.14874	1.6
282.22278	1.2
282.28015	1.2
295.77466	0.6
300.06384	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2475
Annotation	10Z,12Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03933	4.0
55.05512	67.0
57.03441	5.1
57.07078	24.6
60.27133	1.9
60.99672	2.1
67.05503	56.6
69.07068	100.0
71.04986	6.1
71.08617	10.4
73.06095	1.7
79.05494	23.1
80.26444	2.1
81.07056	82.5
83.04973	7.9
83.08620	69.0
83.41619	1.9
85.06554	5.1
85.10190	2.7
91.05460	28.3
91.05912	2.1
91.20207	2.1
93.07060	33.1
95.08607	74.4
97.06526	8.6
97.10167	54.7
99.08116	5.2
105.07040	25.7
107.04962	5.0
107.08591	26.8
109.06515	3.9
109.10165	41.8
111.08086	4.7
111.11736	17.9
119.08586	26.8
121.10139	25.2
123.08057	2.9
123.11716	16.9
125.09620	3.3
125.13290	6.9
127.07561	2.1
133.10152	26.4
135.11694	16.1
137.09601	4.9
137.13254	7.2
139.11172	3.8
147.11717	21.2
149.13268	13.7
151.11212	8.1
151.14827	3.8
153.12735	3.6
161.13258	17.1
163.14844	7.6
165.12743	7.4
165.16318	4.5
167.14369	3.2
174.31606	2.1
175.14853	11.5
179.14308	7.9
179.17949	4.4
181.15764	3.2
188.07083	2.7
189.16357	7.2
191.08527	8.1
193.15829	3.7
207.17351	4.8
219.08069	6.8
219.20978	2.5
221.22620	10.2
234.10410	3.0
245.22618	32.8
247.09930	2.3
250.09697	6.0
251.10672	20.7
263.23807	20.7
265.12241	11.7
266.12769	3.2
281.15414	37.4
281.21005	5.4
282.11295	7.1
282.14951	5.4
283.02893	2.2
299.06314	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2473
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
55.05503	32.2
57.07059	24.0
67.05492	26.0
69.07057	50.9
70.73266	21.1
70.73656	25.3
71.08636	13.6
78.73418	8.7
79.05489	23.4
81.07035	42.9
83.08621	31.2
85.06549	11.0
93.07025	26.2
95.08585	44.8
97.10172	55.3
99.08062	13.9
105.07002	14.0
107.08538	22.4
109.10127	26.4
119.08559	17.9
121.10150	15.5
123.11699	10.4
133.10109	22.5
135.11673	14.1
147.11739	13.1
163.33371	9.0
163.52957	9.8
172.15836	11.8
213.12741	13.2
221.13297	19.9
223.42937	9.8
235.14973	11.9
245.22629	28.4
245.88536	11.4
261.56613	10.4
263.17896	28.5
263.23727	22.3
263.76572	10.5
281.18964	100.0
282.27951	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2473
Annotation	Stearolic acid
Peak:m/z	Relative Intensity
53.03928	1.5
55.01860	2.0
55.05510	36.7
57.03431	3.5
57.07073	93.0
59.04995	1.9
65.03930	1.8
67.05502	65.3
69.07066	42.5
70.36745	3.1
71.04991	4.4
71.08629	78.8
73.06561	5.3
75.00581	0.7
75.03943	0.7
78.79328	0.8
79.05489	30.8
81.07053	100.0
82.07385	1.4
83.04965	3.1
83.08616	31.3
84.08943	0.8
85.06114	0.9
85.06540	7.1
85.10168	2.1
91.05470	15.4
91.50101	0.7
93.07042	13.7
95.04986	1.8
95.08603	46.9
96.08955	1.4
97.06526	4.9
97.10168	24.4
99.08091	1.8
101.06012	1.0
105.07027	12.1
107.04948	3.3
107.08595	24.2
109.06505	1.9
109.10150	26.7
111.08079	2.5
111.11723	7.1
119.08578	9.7
121.10143	10.5
123.08078	1.4
123.11696	22.7
125.09656	1.9
125.13309	1.0
127.11179	1.7
128.14543	0.8
131.08531	0.9
133.10123	16.0
135.11685	5.2
137.09601	2.3
137.13261	4.6
141.09145	0.8
141.12738	34.9
145.06424	1.1
147.11708	8.0
149.13246	3.3
151.11166	2.3
151.14827	2.1
155.14281	1.0
161.13264	5.8
163.14819	2.9
165.12767	1.9
165.16428	1.7
169.15903	2.2
173.86633	0.8
175.14874	3.2
179.17961	1.5
181.15836	1.3
187.13243	1.8
188.07181	1.0
189.16418	1.7
191.08524	3.7
197.15393	1.1
219.08073	2.6
219.20874	0.9
235.07390	1.5
235.24104	1.6
245.22630	8.7
250.09650	3.0
251.10715	2.9
253.25386	1.9
263.23679	4.6
265.12219	3.4
267.00021	0.9
281.24747	5.9
282.11249	2.6
299.05933	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2221
Annotation	Methyl aphyllate
Peak:m/z	Relative Intensity
52.75417	0.2
55.01867	0.4
55.05508	4.7
56.96547	0.4
67.05506	1.2
68.05022	2.4
69.07066	1.0
70.06583	2.6
71.04813	0.6
72.08152	100.0
73.08492	0.8
79.05492	2.4
80.05013	23.7
81.07053	1.6
83.04970	0.6
83.08622	1.6
90.59807	0.2
91.05482	1.1
93.05785	0.4
93.07037	1.1
94.06559	2.6
95.04985	0.5
95.08620	0.8
96.04478	0.4
97.10172	1.3
103.05485	0.4
105.07040	1.1
106.06553	0.8
107.04941	2.3
107.08584	0.5
111.08077	0.3
115.05437	0.3
117.07053	0.3
119.08561	0.4
120.08073	2.0
121.08870	1.3
122.09661	24.1
123.10008	0.4
129.07002	0.4
129.68086	0.3
131.04912	0.6
132.08041	0.3
134.09639	12.7
135.10406	0.8
136.11235	1.8
145.06491	0.7
147.11734	0.4
148.11198	0.4
157.06572	0.5
159.33266	0.3
171.11835	0.3
174.12724	2.0
185.06377	0.3
192.13814	10.7
194.15405	1.1
210.14879	23.7
211.15277	0.6
212.16422	1.5
228.17325	0.3
241.05154	0.3
246.18530	10.0
247.19069	0.3
251.10617	0.4
259.06271	1.1
263.21106	2.1
264.19571	44.8
265.19940	0.9
281.22220	57.1
282.22577	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12877	2.6
53.03952	7.1
55.01872	15.9
55.05266	3.1
55.05516	42.4
56.96548	7.3
57.03434	30.6
57.07067	6.4
57.92767	2.4
64.79202	2.6
65.03944	5.0
67.05508	92.4
68.05840	2.8
69.03431	4.3
69.07066	23.4
70.06574	3.0
70.94503	3.7
70.94843	5.8
71.04979	4.7
71.08625	4.6
72.08134	2.9
77.03931	3.0
79.05495	100.0
80.33372	2.3
81.03424	18.0
81.07061	75.0
83.04978	34.2
83.08624	18.0
85.06516	4.9
91.05479	83.1
91.06018	5.7
93.07040	78.6
95.04974	38.9
95.08607	50.6
97.02894	3.8
97.06516	13.7
97.10165	8.3
98.37878	2.6
99.08086	5.0
103.05470	6.8
105.07032	58.7
106.46419	2.6
107.04955	93.4
107.08596	33.9
109.06551	19.1
109.10181	13.5
111.08076	10.8
113.09611	3.6
115.05432	5.5
117.06992	15.5
119.08588	32.4
121.06538	7.1
121.10160	6.1
123.08099	7.0
125.09656	4.3
127.07526	2.9
129.07004	28.9
131.04944	8.1
131.08571	10.7
133.06503	7.4
133.10135	21.9
135.11726	6.1
137.09636	5.1
141.06955	3.2
142.07726	3.1
143.08546	11.4
145.06487	26.7
145.10127	11.5
147.08022	9.1
147.09128	2.8
147.11703	35.6
151.11134	7.7
157.06529	13.1
159.08076	5.9
161.09625	5.9
161.13226	14.9
165.09145	4.0
165.12796	9.2
169.06459	5.9
171.11684	25.2
189.12750	8.8
191.08565	8.7
207.13844	9.4
218.07161	3.8
219.08063	7.9
220.08786	3.6
233.09554	5.2
236.08369	5.3
237.09126	3.7
245.09628	4.3
248.08368	4.1
250.09372	3.6
251.10608	19.2
258.14551	3.6
263.10681	11.5
263.16281	3.6
263.20062	9.5
265.12253	3.8
281.11700	9.5
281.17532	23.9
281.20728	5.5
282.11542	2.9
283.03085	4.9
299.06174	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	281.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06905	1.0
51.02377	1.7
53.03936	5.6
55.01857	3.9
55.05264	2.0
55.05511	26.5
56.96566	1.8
57.03436	23.6
57.07077	2.0
65.03929	3.7
67.05507	61.3
69.03422	2.4
69.07076	10.6
70.62025	3.9
71.04996	2.8
77.03946	2.2
79.05495	72.5
81.03428	9.2
81.07057	46.5
83.04990	23.7
83.08626	7.9
85.06543	1.6
87.01279	1.3
91.05482	52.4
93.07041	48.2
95.04971	24.9
95.08612	32.5
97.06520	3.9
97.10156	4.3
103.05489	7.4
105.04551	2.5
105.07034	36.5
107.04958	100.0
107.08600	16.3
109.06530	4.6
109.10159	6.4
115.05447	4.3
117.07024	14.7
117.76653	1.2
119.04971	2.5
119.08588	24.9
121.06521	5.2
121.10128	4.2
123.08060	6.6
128.06239	3.6
129.07016	16.8
131.04924	16.6
131.08545	3.5
132.05777	1.7
133.06523	3.9
133.10139	9.5
135.11749	1.7
137.06017	1.5
141.06995	2.8
143.08574	7.5
144.05673	1.2
145.06490	29.0
145.10094	6.2
147.08014	7.2
147.11699	27.0
149.05978	1.6
151.11150	1.4
157.06519	11.5
159.08031	2.3
161.09637	2.9
161.13258	11.0
161.97653	1.3
165.09084	1.7
169.06483	5.8
171.11720	20.1
189.12764	4.4
191.08629	6.1
195.08104	1.7
202.07788	3.1
203.08574	1.8
205.10097	1.6
207.08144	2.5
207.13777	6.9
208.08801	1.6
215.08476	1.4
216.78375	1.3
218.07274	3.3
219.08055	6.8
220.08801	3.7
223.07568	2.5
223.11209	2.4
233.09502	2.3
234.10516	1.8
235.07520	2.6
235.11273	4.1
236.08302	3.3
237.09129	1.8
245.09587	3.1
247.07408	2.2
248.08311	4.3
249.08931	1.5
250.09560	5.0
251.10693	19.2
253.17830	2.0
263.10626	10.0
265.12213	4.4
272.92291	1.3
281.11633	5.2
281.17447	24.0
282.11105	2.0
299.06308	2.9
299.11789	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.2
55.01869	5.0
55.05263	2.3
55.05509	37.0
57.03435	36.2
57.07078	5.1
61.04041	10.5
65.03931	5.9
67.05500	97.9
69.03427	2.5
69.07056	16.3
71.04985	2.7
73.03623	2.5
73.04037	68.0
79.05486	100.0
81.03397	12.3
81.07053	70.2
83.04977	37.2
83.08625	10.1
85.06529	4.7
91.05476	66.1
93.07038	83.0
95.04958	32.1
95.08601	44.7
96.43273	1.8
97.06506	5.2
97.10177	5.7
101.07106	2.8
105.04601	2.2
105.07025	51.2
107.04955	9.3
107.08592	22.2
109.06496	9.1
109.10124	10.8
111.08076	3.3
117.07003	13.1
119.08566	33.6
121.06512	4.6
121.10145	5.3
123.08063	13.3
125.01542	13.2
127.07590	2.5
128.06189	3.9
129.07008	25.3
130.07793	7.4
131.08595	3.8
133.10132	14.5
139.03093	2.1
143.08566	7.9
145.10158	13.1
147.08060	4.6
147.11674	48.7
147.12787	3.7
151.03096	4.3
161.09587	7.0
161.13261	14.2
162.60336	1.9
165.04649	30.4
171.11679	30.9
179.06473	2.1
182.07318	4.0
189.12741	12.2
207.13771	12.6
225.07889	8.2
238.13759	2.6
281.14145	35.8
281.17471	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.9
55.01848	4.2
55.05262	2.2
55.05512	37.8
56.96556	2.1
57.03436	31.6
57.07072	1.8
59.04995	1.7
65.03933	3.9
65.54973	1.4
67.05503	89.1
69.03415	3.9
69.06723	1.7
69.07069	19.4
69.07416	2.6
70.04072	2.4
70.06567	1.7
70.62328	2.8
71.04993	3.6
72.08144	3.7
72.93780	4.2
73.06550	3.8
79.05492	100.0
80.05032	1.7
81.03418	12.9
81.07057	65.8
83.04979	29.3
83.08610	11.1
85.06543	4.4
90.94824	3.5
91.05478	63.9
93.07043	77.9
95.04961	29.6
95.08607	48.9
97.02871	2.0
97.06530	7.7
97.10159	9.1
98.97578	3.5
99.08093	1.6
103.05470	3.7
105.04572	1.9
105.07026	52.5
107.04955	23.3
107.08593	24.8
108.08113	1.8
109.06510	11.0
109.10151	9.0
111.08078	3.5
115.05429	2.5
116.98629	2.8
117.07014	12.7
119.08573	30.5
121.06488	3.7
121.10156	5.3
123.08083	10.4
125.09614	2.0
127.07568	3.5
128.06180	2.9
128.96350	2.5
129.07001	21.5
131.04922	4.3
131.08589	3.9
133.06496	1.9
133.10115	17.0
134.97420	2.7
135.08031	3.0
135.11667	2.2
136.95354	1.6
141.07158	1.7
141.09061	1.6
143.08572	8.9
144.99455	1.7
145.06471	6.1
145.10112	13.3
146.97374	2.0
147.08051	6.3
147.11685	46.1
148.99025	1.5
149.09666	1.6
158.97623	2.6
161.09647	4.1
161.13252	15.0
162.96899	1.9
163.11229	3.1
165.03671	1.6
165.09070	1.7
171.11693	33.5
189.12752	11.4
207.13826	12.5
229.05246	2.1
241.05223	1.8
251.10757	2.7
257.04678	3.9
258.06650	3.1
259.06290	31.6
259.08780	2.7
263.16577	1.7
272.18155	2.1
277.00677	2.4
281.17453	37.4
281.22098	2.3
282.07855	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	1.7
51.25926	0.8
53.03946	6.3
55.01868	4.7
55.05504	29.1
56.35727	0.9
57.03431	27.3
57.07060	1.4
57.23489	0.9
62.87965	1.0
65.03925	6.2
67.05499	90.4
69.03419	2.1
69.07057	15.3
70.25898	0.9
71.04968	1.9
71.59840	1.2
73.06536	2.4
74.57277	0.9
79.05484	100.0
81.03416	13.9
81.07048	59.3
83.04974	28.4
83.08625	9.4
85.02910	1.1
85.06520	4.0
87.04450	1.0
87.08111	1.3
91.05472	68.0
93.07035	69.5
95.04360	1.4
95.04959	30.5
95.08599	35.5
97.02882	1.0
97.06528	6.8
97.10149	4.3
98.97565	1.0
99.08083	1.3
103.05406	1.2
105.04501	1.5
105.07019	52.0
107.04925	10.1
107.07946	1.6
107.08586	16.9
109.06508	9.0
109.10137	7.5
111.08089	2.2
117.06995	11.3
119.08566	29.1
121.06467	4.1
121.10136	5.0
123.08067	10.2
127.07512	1.7
128.06198	3.5
129.07001	19.7
129.39311	1.0
131.08542	2.8
133.06461	1.4
133.10123	13.4
135.08025	2.5
135.11699	2.7
141.06949	1.4
141.09099	1.4
143.08546	11.2
145.10120	10.4
147.08049	2.4
147.11673	37.1
156.09329	1.4
161.09610	4.9
161.13257	15.4
163.11182	1.5
171.11678	31.2
176.14334	1.8
179.14275	2.0
189.12718	12.9
207.13753	10.8
221.72588	1.0
225.62181	1.0
281.17450	36.1
282.17825	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1746
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
52.66996	1.2
53.03942	7.6
55.01868	6.4
55.05510	32.2
56.96554	1.5
57.03432	29.1
57.07066	2.4
59.04988	1.2
59.50165	1.1
62.58439	1.2
65.03946	5.6
67.05499	81.9
69.03422	3.0
69.07059	17.1
69.38589	1.8
69.38996	9.3
71.04974	4.8
71.08624	1.9
72.08161	1.7
73.06561	2.7
78.48754	1.1
79.05486	100.0
81.03407	11.9
81.07050	62.5
83.04979	35.4
83.05456	2.6
83.08610	10.2
85.02882	1.5
85.06532	4.5
87.04488	1.4
91.04888	2.5
91.05471	68.1
93.07036	73.3
93.53628	1.2
95.04960	30.6
95.08596	40.5
97.02870	2.1
97.06538	6.5
97.10146	6.0
98.97556	1.7
99.08114	2.0
103.05433	3.4
105.04537	1.8
105.07024	47.3
107.04952	22.0
107.08585	23.3
109.06509	10.2
109.10128	9.2
111.08081	1.4
116.98612	3.5
117.07002	11.3
119.04955	1.8
119.08566	26.5
121.06506	3.6
121.10131	5.0
123.08057	10.7
125.09602	1.7
128.06216	3.5
129.06999	20.0
130.07729	1.4
131.04903	3.3
131.08548	4.6
133.06532	2.4
133.10115	11.6
134.99693	1.8
135.08052	1.8
135.11693	2.8
137.09647	1.7
140.02446	1.1
141.07025	1.4
141.09253	1.1
143.08548	11.3
145.06483	4.7
145.10098	12.0
147.08026	4.6
147.11668	41.6
149.09595	1.6
149.54527	1.4
151.11160	1.6
157.06439	1.5
159.11678	1.4
161.09628	4.8
161.13232	15.2
163.11143	2.2
165.09114	1.5
169.06569	1.7
171.11678	25.6
173.13226	1.3
189.12758	9.7
207.13797	9.4
243.09007	1.3
251.10683	1.9
251.82568	1.2
263.10489	1.3
281.17404	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
59.06124	0.6
60.04523	14.8
60.05643	0.4
66.61933	0.4
68.05022	3.2
69.03429	2.1
69.64296	2.6
70.06589	5.2
79.05472	0.7
79.89087	0.4
80.05016	7.1
81.03429	2.4
84.08136	1.1
85.02873	0.7
86.06059	1.0
95.04952	1.4
97.07655	1.0
98.06050	9.0
98.97510	0.5
107.04951	100.0
108.05283	1.3
110.06056	0.7
110.61633	0.4
112.07610	3.4
116.07085	6.3
116.98583	0.5
119.93002	0.4
120.08066	0.8
127.03886	0.4
128.07072	3.6
130.08661	0.6
133.09698	1.6
136.06187	0.8
139.08655	0.9
140.07027	0.9
144.15298	0.4
157.09726	15.2
158.08116	1.1
175.10771	80.5
175.14244	1.8
176.11038	0.5
248.20386	0.5
281.14935	10.0
293.83408	0.4
299.06097	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59642	6.7
57.65720	6.2
67.05508	12.2
69.07047	6.3
69.64883	6.7
71.04988	14.6
71.05345	7.1
79.05492	7.0
81.07041	9.6
95.08566	6.1
103.05496	6.4
107.04961	100.0
115.05437	8.5
117.06998	9.0
117.22803	5.3
129.06979	6.4
131.04921	24.0
145.06477	25.6
156.04224	6.1
157.06435	16.1
169.06371	7.8
219.08084	14.9
220.08566	9.6
248.08409	6.8
250.09561	18.1
251.10683	23.9
282.11246	22.2
299.61594	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	281.1173
Annotation	Galanganal
Peak:m/z	Relative Intensity
52.17946	1.4
55.01871	2.9
55.05501	5.1
56.05027	1.7
56.96560	3.1
60.04518	1.9
67.05511	2.8
69.03436	3.1
69.07055	3.0
70.06590	9.0
70.94517	2.0
70.94840	3.3
71.04984	3.0
71.49433	1.4
72.08146	6.5
74.06091	2.2
79.05481	4.5
81.07045	2.3
83.08630	1.7
84.04484	4.8
84.08147	7.7
85.02877	1.7
86.09709	4.6
87.04456	2.1
91.05442	7.3
93.07040	1.6
95.04972	3.3
95.08613	1.7
96.04501	1.4
98.97549	3.4
103.05472	2.0
105.07038	4.5
107.04951	100.0
108.05267	3.2
109.10210	1.8
110.07143	1.7
115.05442	2.8
116.98606	2.7
119.03516	2.0
119.04955	5.0
120.06596	2.3
120.08075	5.5
121.02882	2.3
121.06517	10.4
123.04450	3.0
128.06232	2.1
129.07013	2.6
129.10233	4.4
131.04926	7.1
131.08525	2.2
133.06474	5.3
133.87790	1.7
134.99693	3.4
135.04454	1.9
136.06189	37.0
136.07410	2.1
137.04527	1.6
141.06979	2.6
144.05669	3.2
145.06468	5.3
146.97388	1.5
147.04391	4.4
147.08040	1.9
149.05994	2.3
150.96902	1.7
157.06479	23.1
158.07271	3.3
159.08092	8.0
162.04094	23.4
165.06883	2.7
169.06465	7.2
175.10847	1.7
177.02277	1.7
187.07536	4.4
190.47401	1.5
194.07301	2.5
195.08095	1.7
202.07800	3.5
207.08141	1.8
211.07487	10.2
215.08585	4.1
217.10162	2.7
218.07317	4.1
219.07927	3.0
220.08794	3.7
223.07535	2.9
227.08369	2.0
231.08032	4.7
233.09586	6.9
235.11137	5.7
236.08380	6.9
237.09186	4.2
244.08905	2.8
245.09674	11.9
247.07596	6.1
248.08385	14.2
251.10661	14.7
253.12236	1.6
261.08966	1.7
263.10669	26.7
266.99942	2.3
281.11667	14.1
281.14963	5.4
299.06009	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	281.1173
Annotation	Galanganal
Peak:m/z	Relative Intensity
51.23607	0.9
52.42406	1.0
53.03942	1.2
53.21500	1.0
55.01868	2.0
55.05502	1.3
57.07083	2.0
67.05489	3.7
69.07073	2.8
70.83982	1.8
70.84290	1.8
71.07980	1.1
71.08629	1.2
79.05483	4.1
81.07060	2.9
81.43058	1.2
83.08617	1.2
83.16257	1.0
91.05477	4.8
93.07053	1.2
95.04945	3.3
95.08606	4.3
103.05458	5.6
105.07013	1.2
107.04958	100.0
108.05291	1.6
109.10132	1.2
114.42784	1.1
115.05443	3.5
117.07011	6.4
119.04981	3.0
128.06259	1.4
129.06979	4.0
131.04924	23.3
131.05833	2.1
132.05698	4.3
141.06926	2.2
145.06493	33.8
157.06506	11.0
169.06485	7.1
191.08546	2.3
202.07770	4.1
203.08583	1.2
215.08621	2.2
219.08066	3.9
220.08801	2.9
223.07538	2.2
223.11192	1.5
231.08066	1.9
233.09550	1.5
235.07523	1.5
235.11188	4.1
236.08278	2.3
244.08809	1.3
245.09711	2.6
248.08304	2.7
250.09541	1.7
251.10690	19.9
263.10611	6.9
281.11530	1.3
299.06146	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1172
Annotation	Magnaldehyde B
Peak:m/z	Relative Intensity
55.01869	3.2
63.15782	1.5
64.90189	1.9
66.92416	1.6
69.26855	19.6
70.06565	3.6
79.05489	4.2
79.43368	1.7
81.07043	2.1
91.05466	5.2
93.07040	2.0
95.04958	2.0
103.05449	15.6
107.04951	29.4
115.05420	2.2
120.08041	1.9
129.07056	3.2
131.04929	29.4
132.05692	8.3
133.06491	2.3
136.06206	1.9
144.05635	2.5
145.06453	5.9
157.06557	8.8
165.06955	8.0
166.07790	3.1
169.06459	2.8
171.08092	2.4
178.07755	7.5
179.08524	6.7
181.06503	3.3
181.10062	2.6
184.07359	1.9
189.07010	10.6
190.07764	12.4
191.08556	12.7
192.09308	4.2
194.07233	9.1
195.08096	4.5
202.07779	33.8
203.08578	8.4
205.06424	6.2
205.10092	5.4
206.07268	3.1
207.08090	10.9
208.08792	3.8
209.09572	7.3
210.06721	5.3
215.08572	9.9
216.09305	3.9
217.10130	19.9
218.07329	9.8
219.08054	22.9
220.08823	15.8
221.09398	2.2
223.07529	4.5
223.11046	2.2
226.07758	6.0
227.08481	5.3
230.07263	2.8
231.08043	5.9
233.09547	7.5
234.06696	4.2
235.07544	100.0
235.11000	10.1
236.08244	8.9
237.09120	47.5
243.08046	5.1
244.08833	5.5
245.09618	37.9
246.10188	2.7
247.07520	6.9
248.08293	15.1
249.09058	6.1
251.10678	20.6
253.08591	17.9
262.09653	1.7
263.10651	39.5
263.13290	3.1
277.08630	3.1
281.11707	40.4
290.67566	1.7
299.06259	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	281.1173
Annotation	Galanganal
Peak:m/z	Relative Intensity
55.01865	1.5
57.03439	1.3
61.33681	0.7
62.20127	0.7
67.05488	1.3
69.44492	2.9
69.44927	3.1
71.04987	2.0
72.08152	2.6
79.05481	3.7
84.08156	1.0
91.05466	4.1
93.07043	0.8
95.04960	3.2
96.69100	0.8
98.20774	1.7
103.05476	4.1
105.03378	0.8
105.07020	1.2
107.04958	100.0
111.04465	0.7
115.05466	4.8
115.06158	0.8
117.07019	7.1
119.04938	3.2
120.08118	2.5
121.02850	3.9
121.06519	3.1
123.04419	0.9
128.06233	1.1
129.07007	4.2
131.04930	9.0
131.08574	1.2
132.05707	1.7
133.06528	3.5
141.07024	2.7
144.05780	1.0
145.06490	37.3
145.07642	1.8
147.08055	2.2
149.05994	3.9
157.06490	16.3
159.08060	6.1
165.07010	2.0
169.06470	5.4
175.07529	1.0
181.06598	0.7
183.08122	2.1
187.07523	2.4
191.08508	0.9
195.08037	1.1
202.07793	3.7
205.10136	1.4
207.08104	2.0
210.06787	2.5
211.07561	9.7
215.08606	1.7
216.09586	1.0
217.10069	1.2
218.07347	2.1
219.08104	2.6
220.08742	3.9
221.09558	1.6
223.07581	2.1
225.09229	0.9
227.08794	0.8
231.08156	4.0
233.09483	3.7
235.07471	1.4
235.11229	4.1
236.08321	2.8
237.09142	1.7
244.08867	0.8
245.09622	7.3
247.07484	4.5
248.08350	8.2
249.09006	1.4
251.10667	10.0
263.10687	20.0
280.10529	1.2
281.11713	13.5
299.06161	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1168
Annotation	Galanganal
Peak:m/z	Relative Intensity
53.03941	2.4
55.01871	2.4
55.05498	3.5
56.96564	1.9
57.03438	1.7
67.05493	4.3
69.07061	2.9
69.35418	10.0
70.06587	1.2
71.05006	1.2
72.08144	2.6
74.53931	1.1
79.05486	6.8
81.07056	6.5
83.08595	1.3
91.05473	7.5
93.07045	3.8
95.04980	3.5
95.08600	5.3
103.05444	6.7
105.07037	3.0
107.04955	100.0
107.08560	1.7
109.10192	1.1
115.05457	4.0
117.07015	7.4
119.04959	4.1
119.08603	2.0
121.02805	2.1
121.06517	3.5
123.04421	1.5
123.08118	2.3
125.71749	1.2
128.06190	1.2
129.07011	5.8
131.04921	15.8
131.08580	4.3
132.05708	1.8
133.06512	3.4
133.10141	1.4
141.06985	4.0
144.05705	2.2
145.06482	26.2
147.08003	2.4
149.05986	1.8
157.06490	16.6
158.07310	2.3
159.08073	4.5
165.07066	2.7
169.06500	8.2
171.08107	1.5
172.91368	1.2
187.07536	2.4
189.07065	1.4
190.07762	2.3
191.08546	2.3
195.08072	1.6
202.07791	5.2
203.08580	1.6
205.10176	1.3
207.08080	2.9
208.08710	1.5
210.06726	2.0
211.07584	3.8
215.08551	2.7
217.10202	1.3
218.07353	2.7
219.08089	4.2
220.08855	4.6
223.07625	3.1
223.11227	1.5
231.08133	2.2
233.09570	5.7
235.11136	6.9
236.08270	6.5
237.09100	4.3
244.08812	1.4
245.09587	10.2
247.07584	4.1
248.08276	9.2
249.09299	1.1
251.10701	19.5
263.10678	16.3
266.99661	1.0
281.11691	11.6
299.06152	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	281.1172
Annotation	Magnaldehyde B
Peak:m/z	Relative Intensity
53.03940	2.2
55.01868	4.2
55.05504	4.0
56.96571	1.3
57.03432	2.6
65.03955	1.2
67.05509	9.6
67.68507	1.0
69.07077	2.6
72.08146	1.2
73.04046	2.6
79.05500	11.3
81.03413	2.2
81.07072	6.7
83.08656	1.8
84.08151	1.5
91.05462	12.0
93.07037	5.6
93.21378	1.0
95.04966	8.2
95.08624	4.6
102.27536	1.0
103.05477	6.9
105.04552	1.3
105.07050	6.4
107.04960	100.0
107.08601	1.9
108.05289	2.0
109.06509	1.1
111.08034	1.1
112.11276	1.2
115.05459	5.5
116.98630	1.1
117.07055	6.5
119.04953	2.6
119.08582	2.9
121.02876	4.3
121.06513	7.1
122.94536	1.3
123.04428	15.0
128.06215	3.6
129.07027	6.5
131.04919	12.2
131.08577	4.1
132.05750	2.6
133.06483	9.6
133.10109	1.7
135.04401	4.4
137.05957	2.1
141.07034	3.6
143.08577	2.8
144.05724	3.4
145.06496	30.3
147.08043	8.9
147.11716	1.2
149.02344	2.8
149.06021	3.0
153.06999	1.5
157.06485	19.0
158.07269	2.0
159.08073	16.3
161.05981	3.2
165.07045	3.2
166.07793	1.8
167.08539	1.6
169.06505	8.2
170.07307	1.5
171.08054	14.1
172.08743	1.7
175.07562	2.0
178.07809	1.7
179.08537	2.5
181.06480	3.9
182.07222	2.4
183.08086	5.1
187.07547	2.9
189.07166	1.3
190.07639	2.2
191.08577	4.9
192.09070	1.5
193.10115	2.2
194.07362	5.6
195.08075	5.0
196.48505	1.5
197.09665	1.4
199.07477	1.7
202.07715	5.9
203.08582	3.4
207.08064	5.1
208.08813	2.8
209.09584	6.2
210.06792	2.2
211.07576	5.1
211.11211	1.9
215.08624	3.4
217.10117	2.9
218.07265	3.1
219.08122	7.9
220.08810	8.5
221.09639	5.7
222.10277	1.3
223.07605	4.0
223.11198	3.1
225.09085	1.6
227.08881	1.5
231.08017	3.6
233.09618	7.1
235.07564	3.5
235.11209	10.6
236.08401	6.2
237.09143	4.8
239.10681	3.3
245.09637	12.3
245.11871	1.8
247.07658	5.6
248.08366	10.8
249.09004	1.3
250.09583	1.8
251.10695	19.2
253.12216	4.0
263.10690	19.5
281.11761	31.9
281.14270	1.4
282.11624	1.3
283.03052	2.1
299.06189	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	281.1171
Annotation	Magnaldehyde B
Peak:m/z	Relative Intensity
53.03933	2.8
55.01863	2.4
55.05509	1.2
55.50498	0.7
56.96571	1.8
57.03430	0.8
65.03938	0.9
67.05489	1.8
70.02950	1.0
70.84576	1.6
71.04985	2.6
72.08162	1.4
73.69939	0.6
79.05492	12.1
80.05006	0.8
81.03419	1.0
81.07057	25.3
84.04479	1.1
85.02869	1.0
91.05473	8.3
93.07053	2.5
95.04974	5.3
95.08602	2.0
99.77475	0.7
102.84299	0.7
103.05474	2.3
105.04547	0.9
105.07016	2.8
107.04956	100.0
108.04457	1.1
108.05254	1.5
109.06516	18.0
110.06047	1.4
111.04448	0.8
115.05450	2.5
117.07017	2.4
119.04960	4.5
121.02893	3.2
121.06529	5.3
123.04415	1.2
127.08671	2.1
128.06213	1.1
128.41193	0.7
129.07010	4.6
131.04909	5.5
131.08556	3.9
133.06494	6.3
133.77322	0.7
135.04420	1.7
135.08000	0.8
141.07010	4.8
144.05685	3.9
145.06485	8.3
149.05971	1.7
149.09605	1.2
154.04993	0.8
157.06490	26.1
158.07294	5.1
159.08066	9.8
165.06999	3.2
169.06459	7.8
169.07562	0.7
177.07126	0.7
179.08566	1.3
181.06448	1.4
182.04483	1.7
183.08131	2.1
187.07542	5.7
189.07021	1.5
190.07806	2.1
191.08563	3.9
192.09428	1.1
194.07314	1.5
195.08121	2.4
197.06131	0.8
202.07776	5.7
203.08533	1.7
205.10190	2.0
207.08119	3.1
208.08850	2.6
209.09645	1.4
210.06717	1.3
211.07570	9.4
215.08574	4.9
216.09258	1.1
217.10152	4.0
218.07300	8.0
219.08040	6.8
220.08829	4.3
221.09660	2.4
223.07573	2.7
223.11290	2.3
225.09085	1.1
226.07790	1.1
227.08438	1.3
229.10759	0.8
231.08058	7.1
232.08798	1.4
233.09616	12.6
234.10374	0.9
235.07542	2.9
235.11234	6.3
236.08344	9.9
237.09132	6.1
243.08980	0.7
244.08817	1.6
245.09616	15.6
247.07523	9.4
248.08333	19.6
249.08897	1.7
250.09662	2.5
251.10652	20.7
253.12187	1.2
261.09106	1.5
262.09982	0.7
263.10651	26.8
265.12244	1.7
281.11673	15.8
281.14490	1.5
282.11783	0.9
299.06180	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1172
Annotation	Galanganal
Peak:m/z	Relative Intensity
53.03932	1.4
55.01863	1.0
55.99416	0.4
61.01414	0.4
62.27345	0.4
67.05490	0.4
70.92941	1.1
77.29345	0.3
79.05491	2.6
81.03408	0.5
81.07040	0.8
87.36564	0.4
91.05473	4.2
93.07014	0.5
95.04966	2.9
97.62962	0.3
98.97626	0.5
103.05471	8.5
105.03387	0.6
105.04517	0.4
105.07003	1.2
107.04948	100.0
108.05244	1.1
115.05441	4.0
115.48142	0.4
117.07010	6.9
119.04937	3.3
121.06470	0.7
128.06227	1.0
129.06984	5.6
130.02866	0.9
131.04918	23.7
132.05736	3.0
133.06499	0.7
141.06992	2.4
145.06476	32.4
146.06816	0.5
147.08095	0.7
149.05959	1.5
156.04408	0.6
157.06490	9.9
158.07222	0.5
159.08163	0.5
165.07045	0.6
167.08571	0.6
169.06473	6.5
175.07446	0.5
178.07774	1.1
179.08566	0.8
181.06432	0.5
187.07573	0.5
190.07780	0.9
191.08492	1.0
192.09372	0.5
194.07271	1.4
195.01065	0.6
195.08040	0.9
202.07770	3.3
203.08609	1.0
205.06509	0.6
205.10162	0.6
207.08066	1.8
208.08888	1.1
210.06729	0.7
215.08565	1.7
216.09355	0.6
217.10167	2.0
218.07271	1.3
219.08046	2.3
220.08836	3.2
221.09547	0.8
223.07579	1.6
223.11267	1.3
226.07733	0.5
231.08011	2.4
233.09637	1.6
234.06854	0.6
235.07515	1.1
235.11145	4.1
236.08388	2.4
238.08597	1.2
238.17784	0.4
245.09612	3.4
247.07489	1.9
248.08401	2.5
249.09135	0.9
251.10651	19.3
252.10986	0.5
261.09128	0.7
263.10651	7.2
271.92404	0.4
281.11755	1.1
282.07840	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1171
Annotation	Galanganal
Peak:m/z	Relative Intensity
52.96125	0.8
53.03930	2.1
55.01856	1.5
55.05511	5.8
57.03415	1.6
67.05503	6.0
67.12522	0.8
68.05006	1.4
69.07041	1.5
69.37685	8.5
70.06580	1.4
72.08154	67.9
78.20908	1.0
79.05492	10.2
80.05013	14.8
81.07055	6.0
83.04971	1.9
83.08623	1.4
91.05460	8.2
91.64245	0.9
93.07029	4.0
93.31031	0.9
94.06551	2.1
95.04944	4.9
95.08611	3.1
98.20763	1.4
103.05470	8.4
105.04482	1.4
105.07010	4.2
107.04950	100.0
107.08598	1.9
115.05434	3.7
117.07011	8.8
119.04942	2.5
119.08566	2.5
120.08118	1.4
121.06469	1.8
121.08944	1.0
121.10094	1.3
122.09669	16.0
128.06128	1.7
129.07013	6.9
131.04924	21.1
131.08586	1.2
132.05692	3.0
133.10124	1.0
134.09639	10.3
136.11229	1.6
141.06940	2.6
143.08575	1.0
145.06477	33.5
145.10269	1.2
147.08073	1.4
147.11652	2.0
149.05951	1.3
157.06458	9.6
161.13269	1.2
163.11072	1.0
169.06482	5.6
171.11700	2.1
191.08437	1.2
192.09352	1.4
192.13844	7.4
202.07784	3.2
203.08556	1.7
207.08023	2.6
208.08841	0.9
210.06834	1.0
210.14870	18.6
211.07593	1.0
212.16380	1.1
215.08530	2.4
217.10120	2.7
218.07274	1.6
219.08072	1.9
220.08804	2.9
223.07384	1.8
223.11064	1.6
226.07692	1.1
231.08060	2.2
233.09615	2.3
235.07527	1.1
235.11124	4.5
236.08272	2.0
244.08797	1.1
245.09634	3.5
246.18517	7.7
247.07683	2.1
248.08270	3.4
249.09029	0.9
251.08165	1.5
251.10666	20.4
263.10657	6.9
263.16492	1.4
263.21259	1.3
264.19592	32.5
281.11707	2.4
281.22211	35.5
299.06149	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08619	0.7
53.03930	2.7
55.01860	1.4
55.05299	0.8
55.05511	7.8
57.03425	3.5
65.62376	0.7
67.05234	0.8
67.05505	9.1
68.05007	1.7
69.07052	1.9
69.27233	0.8
70.06581	2.4
70.16220	3.9
71.04974	1.6
72.08154	79.5
79.05494	11.9
80.04580	1.1
80.05016	17.8
81.03385	1.4
81.07069	7.1
83.04974	2.9
83.08623	1.5
87.97327	0.9
89.03807	0.8
91.05475	11.1
93.07037	6.5
94.06558	2.0
95.04942	5.2
95.08613	4.2
97.10148	1.4
103.05465	8.7
105.07024	4.1
106.06528	0.9
107.04953	100.0
107.08583	1.8
109.06471	0.9
109.10138	1.5
115.05460	3.6
117.07024	7.2
119.04930	2.6
119.08537	2.8
120.08121	2.1
121.02834	0.9
121.06507	1.6
121.08882	1.1
122.09666	20.5
128.06221	2.4
129.06999	7.4
131.04926	23.3
131.08481	1.1
132.05687	2.4
133.06496	1.4
133.10127	0.8
134.09631	11.8
136.11192	2.0
137.08330	0.8
139.65959	0.8
141.06981	2.6
143.08487	1.0
145.06482	29.6
145.10103	1.1
147.11687	2.7
149.05966	1.5
153.65327	0.8
157.06496	12.7
159.07961	1.5
165.06967	1.3
166.26709	0.9
169.06502	7.5
171.11745	2.3
174.12744	1.2
179.08426	1.2
181.06413	1.1
187.07562	1.2
190.07808	1.0
191.08437	1.5
192.09483	0.9
192.13850	9.0
194.15411	0.9
195.08066	1.0
202.07768	4.8
207.07962	1.5
208.08698	1.1
210.14902	20.2
211.07558	1.5
212.16478	1.6
214.11739	0.9
215.08513	2.1
218.07195	1.7
219.08006	3.2
220.08800	4.5
221.09518	0.9
223.07446	2.3
223.11142	2.4
231.07983	1.9
233.09668	2.5
235.07521	1.4
235.11035	4.2
236.08286	2.5
244.08722	1.2
245.09624	3.9
246.18562	6.2
247.07536	2.2
248.08305	4.2
249.09138	1.6
251.10698	15.9
263.10696	8.8
263.21158	2.3
264.19580	36.0
267.89355	0.9
281.11765	2.9
281.17389	2.1
281.22232	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.117
Annotation	Galanganal
Peak:m/z	Relative Intensity
53.03942	0.9
55.01853	0.7
59.54225	0.6
65.58190	0.4
70.62262	1.6
74.94480	0.4
76.82655	0.5
78.83950	0.5
79.05496	2.7
91.05463	3.0
95.04974	2.2
98.97575	0.5
103.05464	11.4
104.30927	0.5
107.04947	100.0
108.05331	0.7
115.05454	3.7
115.81413	0.5
117.07009	6.1
119.04929	2.2
120.05734	0.5
121.02796	0.5
121.06526	1.0
128.06218	1.6
129.07018	6.2
129.56421	0.5
131.04922	23.8
132.05710	3.1
133.06436	0.7
134.09657	2.0
134.87509	0.5
141.06984	2.7
141.74379	0.5
145.06476	32.5
147.04401	0.6
149.05977	1.2
157.06479	12.0
165.06900	0.9
169.06461	5.9
170.07321	0.5
175.07632	0.6
179.08521	0.6
187.07515	0.5
187.71251	0.6
190.07739	0.5
191.08575	1.0
194.07275	0.9
195.08028	0.8
202.07777	3.3
203.08574	1.0
205.10159	1.2
207.08051	2.0
208.08844	0.8
215.08604	1.1
217.10081	1.5
218.07248	1.2
219.08049	2.3
220.08818	4.2
221.09352	0.6
223.07504	1.7
223.11163	1.8
226.07770	1.1
231.08038	1.5
233.09610	1.2
234.06712	0.6
235.11147	4.1
236.08316	3.0
244.08865	0.6
245.09648	2.1
247.07652	2.4
248.08450	2.7
251.10658	19.3
251.13264	1.1
252.10930	0.8
258.36636	0.6
263.10654	7.3
281.11679	1.3
282.14862	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.2
55.03007	0.2
55.05508	0.6
56.05025	1.3
56.96556	0.7
57.03440	0.6
57.07077	0.4
60.04525	0.7
61.02931	0.5
64.00443	0.2
65.59863	0.2
67.05510	0.6
69.03442	1.3
69.07075	0.5
70.06599	2.7
70.26765	0.6
72.08157	2.8
73.02936	0.6
74.06085	2.3
79.05482	0.4
81.03410	0.4
81.07063	0.7
81.44220	0.2
83.04979	0.3
84.04495	2.8
84.08147	3.0
85.02906	2.1
85.06531	0.3
85.08493	0.3
86.09704	1.8
91.05399	0.4
91.05906	0.4
93.07040	0.4
94.04045	0.4
94.36356	0.2
95.04955	0.2
95.08620	0.4
97.02888	0.9
98.20889	0.3
98.97604	1.1
99.17743	0.2
102.05544	1.1
103.05460	1.6
105.07027	0.3
107.04951	7.7
107.08463	0.2
109.10116	0.3
110.07153	1.4
110.97567	0.2
116.07056	0.2
116.98611	0.8
117.06967	0.3
119.03557	3.8
119.04893	0.5
120.06577	4.9
120.08058	1.4
121.06522	0.3
127.03908	0.2
128.98566	0.5
129.06984	0.4
129.10236	1.2
130.04994	0.7
131.04932	4.1
131.05835	0.4
132.05315	0.2
132.08083	0.4
134.99664	0.9
135.04399	0.2
135.08073	1.5
136.06183	100.0
137.04601	4.1
137.06508	0.8
145.06485	1.0
146.99673	0.8
147.09134	0.3
152.10701	3.5
157.06529	0.4
158.99667	0.3
161.01263	0.3
162.04109	52.1
163.04462	0.5
163.07526	0.6
170.99643	0.2
171.08057	0.2
177.00743	0.5
180.22128	0.2
189.00667	0.4
191.08569	0.3
195.11374	0.2
201.00656	0.3
207.08130	0.2
219.01828	0.5
222.01990	0.7
223.02629	0.4
235.14429	0.3
237.02762	0.3
237.09158	0.4
239.13602	0.2
240.03017	0.3
245.09645	0.3
250.09508	0.4
251.10683	0.4
261.04462	0.2
263.10748	0.4
264.12372	1.9
266.99884	0.6
279.05527	0.4
281.09872	6.5
281.14508	1.0
282.10074	0.2
283.03006	1.1
297.06458	0.5
299.06049	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1906
Annotation	Lycoposerramine P
Peak:m/z	Relative Intensity
53.03930	2.3
55.01860	4.4
55.05506	8.3
56.96554	4.2
57.07059	4.8
67.05490	7.7
68.05833	1.5
69.03413	7.9
69.07049	4.8
70.06601	11.1
71.60616	3.1
77.36830	1.5
79.05489	17.0
81.07049	9.6
86.06062	46.6
87.04446	2.2
91.05473	9.5
93.07034	43.5
95.04951	3.9
95.08585	6.0
97.06522	4.7
98.06049	49.9
105.07034	9.7
106.07359	1.4
107.04950	5.8
107.08595	28.7
109.06493	1.9
109.10130	2.2
110.10497	1.6
117.07052	1.9
119.08545	4.4
121.06483	4.5
121.10126	2.9
123.08048	1.6
129.06985	2.7
130.07819	1.5
131.08551	6.8
133.06476	1.8
133.10135	3.3
135.08040	10.5
135.11684	36.2
136.07504	1.7
141.00964	3.9
149.02377	3.2
149.09605	16.0
149.13271	5.3
150.02614	3.4
159.11693	10.2
161.13268	1.4
162.20660	1.5
164.10692	4.1
176.10687	2.5
177.12737	100.0
178.15860	2.2
183.05685	3.8
190.12253	18.0
194.11635	1.9
194.15425	2.4
196.12355	1.6
205.11842	1.8
206.15437	8.3
208.13271	2.2
215.13316	1.5
220.16983	7.4
234.18524	5.0
236.16449	5.3
244.16975	17.3
257.06830	2.2
257.10587	2.3
262.18005	59.8
280.08481	1.7
280.19043	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	280.2634
Annotation	linoleamide
Peak:m/z	Relative Intensity
53.03936	1.7
55.05268	1.2
55.05512	15.6
56.05035	7.7
57.03422	1.8
57.07076	4.1
57.29899	0.7
58.02963	4.6
60.04511	2.9
65.03932	1.6
67.04228	0.7
67.05505	29.3
68.05014	4.0
68.05820	1.0
69.03428	0.8
69.06734	0.9
69.07073	13.7
70.09260	2.9
71.04993	0.7
71.08625	1.5
72.04501	1.5
79.05494	15.4
80.05035	4.1
81.03404	0.9
81.07059	24.8
82.06579	11.7
83.04959	1.7
83.08618	8.1
84.04509	0.9
84.08150	1.3
85.10175	0.7
85.28654	0.7
86.06087	3.2
88.03936	0.6
91.05479	10.0
93.05717	0.7
93.07043	9.8
94.06562	4.3
95.04956	2.8
95.08607	19.0
96.08128	2.4
96.08891	1.1
97.06551	1.4
97.10168	2.4
98.06048	1.5
100.07611	2.7
105.07053	4.1
107.04977	0.9
107.08582	5.1
108.08160	1.7
109.10152	6.1
110.09728	0.8
111.11669	0.6
112.07626	1.4
112.56020	0.6
119.08601	4.4
121.10143	4.7
122.09680	1.5
123.08092	0.7
123.11698	2.2
133.10114	2.5
133.32675	0.7
135.08084	1.1
135.11670	2.3
147.11716	1.7
149.02347	1.6
150.02715	1.1
154.12222	0.8
172.95221	0.7
187.07481	0.6
191.08501	1.5
218.84923	0.7
219.08139	1.4
229.08347	0.7
233.22623	0.8
233.80162	0.7
249.09097	3.8
249.11433	0.8
250.25284	9.4
262.25284	5.7
280.26349	100.0
281.26700	3.1
299.06104	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.8
55.52821	0.3
55.96626	0.3
59.04997	0.4
59.18348	0.3
61.02921	1.2
63.67657	0.3
65.36988	0.3
69.33595	3.2
70.06591	0.5
71.04981	1.5
79.05476	0.4
81.07055	2.2
84.08137	0.4
86.05343	0.3
91.05524	0.3
94.04039	0.6
97.38625	0.3
98.97590	0.3
103.27796	0.3
107.04932	1.0
109.05125	3.0
119.04929	0.3
123.06644	0.7
133.05118	1.9
144.81654	0.3
147.04427	0.4
150.07739	100.0
151.08043	0.9
164.09283	0.5
170.08577	0.3
174.68721	0.3
175.12631	0.3
190.12187	0.6
248.15059	30.8
249.15417	0.5
280.17667	50.3
281.17941	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85017	0.2
53.03900	0.2
55.05505	0.9
56.96565	0.5
57.07066	0.7
67.05509	0.5
69.04546	0.4
69.07051	0.2
69.88380	0.5
69.88789	0.6
70.04072	100.0
71.04394	0.2
72.93787	0.4
73.02949	0.2
76.54498	0.2
79.05492	0.4
80.05015	0.2
81.07037	0.4
83.04957	0.6
90.94835	0.2
91.05458	0.5
93.07052	0.2
95.05003	0.2
105.07026	0.9
107.04947	0.8
107.08598	0.2
110.07173	1.4
117.07009	0.3
125.01550	0.6
125.09521	0.5
129.01004	0.5
129.07063	0.2
141.01050	1.0
149.02354	0.4
153.08975	0.4
181.64868	0.2
183.05727	0.7
280.08466	9.7
280.20523	0.8
281.08472	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1544
Annotation	Metalaxyl-M
Peak:m/z	Relative Intensity
52.82181	0.8
53.03938	1.0
55.05508	1.4
55.93521	0.8
56.05029	1.2
56.18356	0.9
56.96549	2.1
67.05479	1.5
69.03423	0.8
70.06588	6.1
71.50784	1.4
72.08128	2.0
78.33330	0.9
79.05463	0.9
81.03414	1.0
81.07049	1.1
84.04482	1.5
84.08124	3.7
85.02888	2.2
86.06051	1.7
86.09676	2.9
87.04458	37.8
91.05460	1.9
96.08850	0.8
98.05979	0.8
105.07016	1.3
107.04943	29.1
108.05245	1.4
109.40151	0.8
110.06064	1.1
110.07115	1.1
116.98603	1.3
119.04954	1.2
120.08082	1.5
121.06487	1.3
122.05991	1.8
123.04386	1.9
128.98621	0.9
129.10236	1.7
130.08600	1.3
133.06464	1.9
134.06807	2.9
136.06171	2.2
138.05450	2.4
141.01048	1.0
147.04376	2.5
148.11206	10.3
149.02356	4.8
149.11992	7.8
150.02643	3.0
156.10159	3.6
157.06480	0.9
172.72246	0.8
174.11249	4.0
179.09399	2.1
192.90715	0.9
194.11751	78.3
195.12126	1.9
199.07437	1.7
216.10233	1.3
218.70874	0.8
228.97937	1.4
236.12842	1.8
245.07968	1.8
247.07407	0.8
251.10741	1.3
262.10739	1.3
262.14502	0.8
263.10690	1.3
276.21353	0.9
280.15411	100.0
281.11951	0.7
281.15747	3.1
299.06238	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.4
56.96565	0.5
57.07086	0.6
61.40875	0.3
65.00445	0.3
67.05500	0.4
69.03422	0.5
69.04538	0.6
70.04073	28.2
70.61661	0.3
70.78148	0.9
79.05512	0.5
81.07050	1.2
82.04058	17.0
83.04841	77.2
83.08598	0.4
83.09855	0.3
91.05476	0.5
93.07044	0.7
94.77538	0.3
95.05006	0.4
95.08573	0.7
105.07026	0.4
115.03767	0.5
119.07117	0.3
141.01012	1.5
149.02310	0.4
150.02661	0.8
152.08174	1.0
153.08960	100.0
154.09247	0.5
177.12727	0.6
183.05676	1.2
230.60515	0.4
262.18912	0.4
280.08456	11.0
286.03394	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.0265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93532	2.5
56.02060	0.6
56.94300	1.2
56.96561	19.2
57.07072	1.6
67.05509	1.5
68.05033	1.4
69.03414	1.0
69.45615	0.6
70.06589	2.8
70.09627	2.6
70.95863	2.9
71.93024	0.6
72.79823	0.6
72.93785	6.4
74.02445	3.5
78.86677	0.6
80.05028	0.8
81.03418	2.0
81.07047	1.4
82.06588	0.7
84.04511	2.1
84.08149	1.5
85.02888	1.0
87.04456	1.2
88.03946	0.7
88.96914	1.0
90.94827	2.9
91.05479	10.0
93.07036	3.7
95.04946	1.5
95.08598	0.8
97.02864	0.8
98.97588	1.1
103.05458	14.9
107.04940	10.6
108.95814	1.1
110.06010	1.0
116.98608	0.8
117.05750	1.4
118.06530	2.8
119.07335	0.7
120.08096	100.0
120.40573	0.6
121.08414	1.7
123.04413	0.9
123.31889	0.7
128.07040	5.1
130.06535	3.2
130.08607	1.1
130.14262	0.6
131.04921	1.5
131.97395	1.3
132.08078	0.8
132.95793	3.1
133.07570	0.9
134.05920	1.1
134.99614	1.0
144.08032	0.9
145.78993	0.7
147.04399	0.8
148.07510	0.8
149.00485	1.6
149.02356	1.9
149.98480	2.2
150.02634	1.4
150.96878	10.6
150.98355	1.5
157.07607	2.0
163.02014	1.1
163.03955	1.1
164.99966	2.8
165.97125	0.7
166.97926	1.5
167.03732	0.7
171.09190	1.2
174.07622	8.2
175.02026	0.7
175.08617	1.2
176.01570	18.1
176.03828	1.8
178.05354	1.6
180.99455	1.6
183.47168	0.7
183.98192	0.8
184.98967	0.9
189.99516	0.9
190.03157	3.1
192.01065	2.0
192.99493	2.3
194.04901	1.8
194.11754	2.5
196.06418	2.1
198.10071	0.8
199.08694	0.9
200.98567	0.7
201.04407	1.1
208.00609	1.5
208.02579	1.1
216.11195	3.3
219.00978	2.8
220.00624	1.6
222.04385	8.2
226.03793	1.1
233.98465	1.0
234.02100	16.3
234.12402	1.8
235.00491	4.2
238.01602	16.9
238.03854	1.3
240.05417	13.1
244.10718	0.8
256.04828	1.6
262.01624	3.4
262.11920	3.0
280.02579	21.1
280.12823	5.5
280.15375	4.1
298.05908	1.0
299.96249	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.4
55.01865	5.6
55.05509	16.3
57.03437	3.3
57.07079	5.6
65.03941	3.1
67.05505	98.9
68.05853	2.3
69.03434	2.9
69.07066	28.2
69.26334	9.5
71.04630	0.9
71.04991	4.4
71.08634	3.0
79.05496	32.3
80.05825	1.8
81.03442	1.0
81.07058	100.0
82.07406	2.3
83.04977	4.1
83.08617	9.0
85.06554	4.0
85.84422	1.0
85.97449	1.1
88.82392	1.0
91.05477	13.8
93.07043	38.7
94.07401	2.3
95.04978	4.7
95.08607	74.7
96.08945	1.8
97.06531	6.3
97.10177	4.4
98.97574	1.1
99.08103	2.9
105.07024	8.1
107.08597	21.5
107.09293	1.5
108.08918	1.4
109.06549	2.0
109.10160	30.6
110.10513	0.9
111.08113	2.5
111.11711	1.3
113.05997	2.9
117.07026	3.2
119.08592	7.5
121.10139	17.9
123.08033	2.0
123.11712	15.3
125.09673	1.3
131.08577	8.1
133.10117	5.5
134.99628	1.5
135.08058	4.3
135.11713	10.1
137.13249	12.8
139.11203	3.5
145.10144	5.3
147.11702	5.0
149.02332	13.0
149.09650	4.7
149.13258	6.6
151.11227	2.1
151.14859	3.2
153.09091	1.4
159.11713	2.9
161.13277	4.1
163.11253	3.7
163.14841	3.7
165.16435	1.1
166.03137	1.1
167.10757	2.1
167.14310	1.8
172.95273	1.2
173.13274	6.5
175.14891	1.3
177.00754	1.6
177.12779	3.1
177.16412	1.7
181.12225	2.3
187.14857	2.4
187.67160	1.1
189.00772	1.3
190.96437	1.2
191.14401	0.9
194.36096	1.0
195.13763	2.8
197.73672	1.1
209.15466	3.6
219.05783	1.1
219.21205	3.1
223.16969	2.8
232.31381	0.9
233.22684	1.3
237.18527	1.3
243.21091	3.9
261.22186	12.3
274.18835	1.0
279.23199	56.0
280.13370	1.0
280.23523	1.6
280.26434	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	279.2318
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03933	1.3
55.01867	1.5
55.05512	10.9
57.03444	1.4
57.07067	5.5
65.03940	2.7
67.05505	94.3
68.05814	0.9
69.07069	13.7
69.92718	2.7
69.93125	1.5
71.04993	2.1
71.08651	1.0
79.05492	15.3
81.07058	100.0
82.07378	1.2
83.04965	1.9
83.08610	5.7
85.06534	1.2
91.05488	6.9
91.38757	0.7
93.07043	14.4
95.04966	1.3
95.08606	83.9
97.10147	4.6
98.21418	0.9
105.07023	3.8
107.04949	1.0
107.08600	9.2
109.06505	0.8
109.10157	46.0
111.08092	1.5
111.11743	0.9
117.07028	1.6
119.08568	4.3
121.02885	1.2
121.10139	8.1
123.08105	1.8
123.11703	25.2
124.12096	1.2
131.08572	4.4
133.10107	3.5
135.08073	1.0
135.11679	7.9
137.09637	1.2
137.13242	7.7
145.10159	2.8
147.11688	3.6
149.02333	20.7
149.09642	1.5
149.13284	3.9
151.11215	0.8
151.14833	3.1
159.11697	3.4
161.13245	3.1
163.11224	1.4
163.14874	2.4
165.12700	0.9
173.13245	2.7
177.12753	1.2
181.12270	1.7
187.14828	3.4
191.08653	0.8
191.14394	1.8
195.13846	2.5
201.16492	0.8
209.15367	2.3
219.05734	1.8
222.36314	0.7
223.16945	2.3
243.21053	2.9
249.09084	2.0
261.22131	4.1
279.19983	1.7
279.23178	30.6
294.97919	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2317
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03937	1.3
55.05506	10.9
57.03426	1.8
57.07065	6.2
60.95849	2.0
65.03941	2.9
67.05502	98.1
68.05840	1.3
69.03415	0.9
69.07066	11.5
71.04999	1.6
71.08634	1.9
72.22743	0.6
76.11508	0.7
79.05489	17.0
81.07053	100.0
82.07368	1.5
83.04985	1.4
83.08617	6.0
85.06531	1.6
89.10406	0.6
91.05467	6.6
93.07040	16.4
95.04954	1.5
95.08604	74.6
96.06884	0.7
96.08923	1.8
97.06522	1.5
97.10157	2.9
98.20638	1.8
98.97556	1.0
105.07018	4.4
106.49134	0.7
107.08591	9.6
109.06519	1.2
109.10150	43.6
111.08095	1.1
113.05986	0.7
116.98618	0.7
117.07007	1.4
119.08546	3.8
121.02873	1.1
121.10136	9.4
121.51236	0.6
123.08047	1.0
123.11705	22.6
124.11973	0.8
127.07565	1.2
131.08585	4.6
133.10147	4.2
134.99539	0.8
135.08095	1.1
135.11662	5.6
137.09586	1.5
137.13237	10.0
138.52945	1.0
139.11113	0.9
141.09160	0.9
145.10104	3.3
147.11684	2.4
149.02330	14.5
149.09639	2.3
149.13248	3.2
151.11124	0.8
151.14821	2.2
153.00484	2.1
153.09204	0.8
158.03299	2.6
159.11719	2.2
161.13321	2.0
163.11145	1.6
163.14810	2.1
165.12740	1.1
165.16391	0.7
167.03461	1.0
171.01607	1.2
173.13254	3.0
177.12709	1.6
179.14340	0.9
181.12233	1.4
181.92377	0.8
184.07109	0.7
187.14848	3.1
191.08627	0.9
191.14326	0.9
195.13823	1.9
196.26361	0.8
203.05794	0.7
205.15799	0.8
209.15398	2.6
219.05647	1.3
223.16939	3.0
237.18521	0.9
243.21135	2.0
249.09099	2.7
252.85532	0.7
261.22070	3.0
279.09119	0.7
279.13458	1.3
279.19867	1.6
279.23169	27.5
279.28073	2.3
280.13324	0.7
280.23544	1.5
280.26389	2.6
282.11423	0.7
292.42151	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2318
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03920	1.4
55.01865	5.6
55.05509	16.3
57.03437	3.3
57.07079	5.6
65.03941	3.1
67.05505	98.9
68.05853	2.3
69.03434	2.9
69.07066	28.2
69.26334	9.5
71.04630	0.9
71.04991	4.4
71.08634	3.0
79.05496	32.3
80.05825	1.8
81.03442	1.0
81.07058	100.0
82.07406	2.3
83.04977	4.1
83.08617	9.0
85.06554	4.0
85.84422	1.0
85.97449	1.1
88.82392	1.0
91.05477	13.8
93.07043	38.7
94.07401	2.3
95.04978	4.7
95.08607	74.7
96.08945	1.8
97.06531	6.3
97.10177	4.4
98.97574	1.1
99.08103	2.9
105.07024	8.1
107.08597	21.5
107.09293	1.5
108.08918	1.4
109.06549	2.0
109.10160	30.6
110.10513	0.9
111.08113	2.5
111.11711	1.3
113.05997	2.9
117.07026	3.2
119.08592	7.5
121.10139	17.9
123.08033	2.0
123.11712	15.3
125.09673	1.3
131.08577	8.1
133.10117	5.5
134.99628	1.5
135.08058	4.3
135.11713	10.1
137.13249	12.8
139.11203	3.5
145.10144	5.3
147.11702	5.0
149.02332	13.0
149.09650	4.7
149.13258	6.6
151.11227	2.1
151.14859	3.2
153.09091	1.4
159.11713	2.9
161.13277	4.1
163.11253	3.7
163.14841	3.7
165.16435	1.1
166.03137	1.1
167.10757	2.1
167.14310	1.8
172.95273	1.2
173.13274	6.5
175.14891	1.3
177.00754	1.6
177.12779	3.1
177.16412	1.7
181.12225	2.3
187.14857	2.4
187.67160	1.1
189.00772	1.3
190.96437	1.2
191.14401	0.9
194.36096	1.0
195.13763	2.8
197.73672	1.1
209.15466	3.6
219.05783	1.1
219.21205	3.1
223.16969	2.8
232.31381	0.9
233.22684	1.3
237.18527	1.3
243.21091	3.9
261.22186	12.3
274.18835	1.0
279.23199	56.0
280.13370	1.0
280.23523	1.6
280.26434	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	279.2319
Annotation	Crepenynate
Peak:m/z	Relative Intensity
55.01854	1.4
55.05512	15.2
56.96567	3.0
57.03426	3.4
57.07077	10.1
63.84944	1.3
65.03929	2.7
67.05505	91.3
68.05817	1.6
69.07066	13.0
71.04984	2.2
71.08633	21.0
71.20562	2.5
75.90967	1.8
79.05495	22.6
81.03425	1.8
81.07058	100.0
82.07393	1.8
83.04988	2.4
83.08624	9.0
85.06551	3.1
85.10162	3.2
91.05489	13.1
92.63799	1.4
93.07040	17.2
95.04961	2.0
95.08605	66.6
97.06522	4.2
97.10160	3.9
98.97598	11.1
99.08087	16.1
105.07043	16.0
107.08575	10.3
109.06497	4.3
109.10156	24.9
111.08080	2.6
113.09637	6.4
116.98626	12.1
119.08573	6.3
121.02834	2.3
121.10155	9.0
122.22945	1.5
123.08085	3.1
123.11721	15.4
128.47786	1.2
128.91832	1.3
128.98596	4.8
131.08566	7.3
133.06531	2.1
133.10156	7.0
134.99619	9.3
135.08089	4.0
135.11682	8.5
137.09610	1.7
137.13257	8.0
141.09004	1.5
145.10129	4.1
146.99625	5.3
147.11684	11.2
149.02353	39.8
149.09596	2.4
149.13245	3.2
151.14760	2.2
153.12695	1.7
158.99657	4.3
159.11720	2.3
161.13284	1.7
163.11185	3.1
163.14777	3.7
165.12727	6.5
173.13257	5.5
177.00685	13.4
177.12691	1.7
179.14348	1.6
181.15910	1.8
189.00699	6.7
191.08598	4.1
191.14445	1.6
195.01701	2.2
195.13896	2.4
200.02286	2.2
207.01807	2.5
209.15442	1.9
219.05748	3.6
219.08206	1.7
223.17014	1.5
243.21143	3.5
249.09091	6.4
249.11349	2.5
261.22153	7.8
265.10693	2.7
279.09378	3.2
279.19794	2.6
279.23123	37.0
280.09714	1.5
280.13318	4.7
280.23495	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2313
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
51.17922	1.2
53.03931	2.2
53.55012	1.1
55.01873	3.0
55.05302	1.2
55.05506	14.2
57.03413	3.0
57.07065	14.4
65.03928	3.7
67.05495	86.7
68.05820	1.5
69.03400	2.2
69.07063	15.8
70.04049	1.6
71.04983	3.7
71.08624	19.9
71.59708	1.7
79.05478	21.0
81.03396	2.1
81.07045	100.0
83.04958	4.9
83.08617	9.1
85.06512	3.4
85.10174	14.5
88.87227	1.1
91.05469	20.3
91.33458	1.3
93.03309	1.2
93.07030	26.7
94.07362	2.1
95.04960	5.2
95.08594	78.3
96.08964	1.4
97.06519	3.7
97.10168	3.5
98.97572	4.0
99.08083	17.2
104.99268	1.5
105.07024	10.2
107.04965	1.5
107.08585	15.8
109.06504	3.6
109.09441	2.5
109.10146	29.5
111.08044	2.7
113.05939	2.0
113.09628	20.5
116.98576	3.7
117.07005	4.4
119.08606	5.9
121.02866	2.8
121.06490	1.7
121.10132	13.8
123.08055	3.9
123.11707	10.3
125.09631	1.8
126.03362	1.4
127.07549	1.2
128.98604	1.3
131.08531	8.5
133.10109	14.3
134.99640	3.1
135.08043	3.4
135.11670	9.7
137.09569	2.2
137.13255	9.6
139.11082	1.7
141.12686	1.5
143.01936	1.1
145.06314	1.4
145.10078	6.1
146.99626	2.2
147.11659	10.5
148.12045	1.4
149.01144	1.6
149.02325	31.8
149.09604	3.4
149.13255	8.0
151.11159	2.2
151.14813	4.8
153.00777	1.3
153.09059	1.9
153.12724	3.8
159.07953	1.3
159.11690	5.9
161.13182	3.1
163.11145	3.8
163.14799	3.7
165.12744	5.7
165.16313	1.9
167.10658	1.4
167.14310	2.7
173.13251	5.6
177.00694	3.4
177.12720	1.5
181.12285	2.4
181.15913	1.7
187.14822	2.4
191.14389	2.0
195.13792	2.5
205.15919	1.5
209.15337	3.7
219.05748	2.7
223.16762	2.6
233.22675	1.7
237.18504	1.7
243.21007	4.2
261.22046	9.1
279.10934	2.0
279.15973	2.1
279.19919	2.0
279.23157	62.9
280.10336	1.9
280.23630	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2317
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03930	2.2
55.01878	5.8
55.05507	18.5
57.03422	1.9
57.07072	35.9
61.44493	1.1
62.16637	0.9
65.03944	1.8
67.05503	89.3
69.07063	21.2
70.01313	3.5
70.01719	2.9
70.05634	1.1
71.04976	2.3
71.08627	32.7
79.01130	1.2
79.05492	35.1
81.07053	100.0
82.07388	2.0
83.04959	4.5
83.08611	12.6
85.06529	4.4
85.10175	5.0
91.05460	12.4
93.07039	34.7
95.04960	4.8
95.08601	75.7
96.08924	1.7
97.06517	4.4
97.10159	5.1
98.97575	2.1
99.08076	2.7
103.05457	1.8
105.07033	16.1
107.08584	21.4
109.06538	2.8
109.10146	24.3
111.08095	2.4
113.05995	1.1
113.09670	2.8
116.98596	3.4
117.07018	3.7
119.08546	6.4
121.06500	2.0
121.10137	26.5
123.08057	4.2
123.11729	11.5
125.09652	1.3
127.07525	1.3
127.11100	1.3
128.98605	1.4
131.08542	9.3
133.06483	6.6
133.10150	6.9
135.08069	12.4
135.11681	15.6
136.66278	1.4
137.09612	2.2
137.13231	8.3
139.07498	1.6
139.11150	2.8
141.12729	16.8
145.10124	6.9
147.11682	2.9
149.02342	6.1
149.09605	7.8
149.13219	8.4
151.07584	1.6
151.11198	1.5
151.14749	5.4
153.09096	2.2
155.14342	2.3
159.11708	5.4
161.13277	3.4
163.11124	6.0
163.14828	2.5
165.16328	1.4
167.10631	1.7
167.14349	1.7
173.13246	2.8
177.12740	4.5
177.16351	1.9
179.14310	2.0
181.12241	4.0
181.15886	3.5
187.14812	1.4
191.14336	2.4
193.15906	1.7
195.13800	3.7
209.15361	3.3
219.21065	3.5
223.17154	1.1
233.22598	6.6
243.21101	8.8
256.50229	1.1
261.22144	13.8
279.09158	1.3
279.23190	42.5
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
53.03945	2.0
55.01872	1.0
55.05513	11.9
57.03445	1.5
57.07076	5.7
57.39384	0.7
61.81540	0.8
62.35807	0.9
65.03938	3.3
67.05503	99.2
69.07066	12.2
69.58728	5.8
71.04980	3.1
71.08604	1.0
79.05493	18.6
81.07056	100.0
83.05006	1.6
83.08617	7.2
85.06546	2.1
91.05459	6.6
93.07038	21.1
95.04990	1.7
95.08605	79.7
96.08942	0.9
97.06527	2.3
97.10172	5.0
105.07019	7.6
107.04955	1.0
107.08595	10.9
108.61224	0.8
109.06521	1.0
109.10155	45.5
111.08091	1.0
111.11732	1.5
117.07032	1.5
119.08601	4.2
121.02858	1.5
121.10144	10.1
123.08051	2.0
123.11704	21.6
123.12587	1.5
127.07544	1.1
128.03880	0.8
131.08568	6.0
133.06497	1.0
133.10129	3.8
134.04141	0.8
135.08049	3.7
135.11684	7.1
137.09656	1.8
137.13257	8.5
139.11172	1.3
145.10110	3.4
147.11653	3.7
149.01151	1.5
149.02341	25.2
149.09583	1.7
149.13235	3.9
151.11195	1.9
151.14848	3.2
153.09085	1.5
159.11769	4.0
161.13261	2.9
163.11180	1.7
163.14841	2.4
165.12775	1.8
165.16454	1.2
167.03310	1.4
173.13281	3.4
175.14919	1.1
177.12798	1.2
179.14333	1.2
181.12256	1.8
187.14839	3.4
191.08568	1.3
195.13812	2.4
205.15886	1.7
209.15376	2.8
219.05856	1.8
219.21075	1.8
223.16930	1.7
243.21091	5.6
249.09109	2.2
261.22092	5.9
279.09430	1.8
279.19946	1.8
279.23148	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2319
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
52.27606	0.9
53.03942	1.3
55.01860	1.0
55.05265	1.2
55.05511	10.4
57.07069	3.0
65.03937	2.0
67.05507	100.0
68.05830	1.5
69.06780	0.9
69.07076	9.7
69.48274	7.3
71.49772	0.9
76.82208	0.9
79.05492	14.7
81.07060	98.7
82.07384	1.4
83.05001	1.4
83.08624	4.9
85.06536	2.5
91.05499	4.6
93.07049	15.6
94.07359	1.1
95.04959	1.0
95.08611	79.4
96.08916	1.3
97.06522	1.4
97.10142	2.3
105.07048	4.8
107.08596	8.6
109.06491	1.3
109.10155	25.2
117.07011	2.4
119.08569	3.0
121.06534	1.4
121.10141	6.9
123.11713	14.2
125.93597	1.1
131.08574	5.1
133.10129	3.7
135.08049	1.3
135.11702	5.7
137.09613	1.5
137.13263	9.3
145.10129	2.9
147.11676	2.7
149.02293	7.7
149.09599	2.6
149.13242	3.5
151.14818	4.2
153.09085	1.1
159.11684	4.5
160.25259	1.1
161.13263	1.0
163.11186	3.4
163.14842	2.1
165.16339	1.5
173.13277	6.2
177.12729	2.6
181.12308	2.2
187.14862	2.4
191.14359	2.4
195.13803	2.3
209.15419	3.8
220.33121	1.0
223.16841	1.9
237.18279	1.0
243.21094	1.5
249.09030	1.1
261.22101	2.1
279.23215	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2316
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
55.05508	9.2
57.07066	2.0
65.03929	3.7
67.05500	100.0
68.05817	1.2
69.07066	8.3
71.04962	1.2
79.05481	13.0
81.07050	95.4
82.07375	1.0
83.04973	0.7
83.08613	3.8
85.06529	1.0
91.05474	3.7
93.07037	11.6
95.04940	0.7
95.08599	75.5
96.08941	1.1
96.37717	0.6
97.06519	1.3
97.10153	2.0
98.20753	2.3
105.07015	3.2
107.08578	6.6
109.06519	0.9
109.10145	22.8
111.08078	0.7
117.07008	1.9
119.08569	3.2
121.10126	5.2
123.08066	0.9
123.11685	13.0
127.07550	1.2
130.15636	0.7
131.08543	5.3
133.10094	2.0
135.08099	0.7
135.11665	4.4
137.09654	1.2
137.13252	9.5
145.10138	3.2
147.11647	2.1
149.09624	1.4
149.13234	4.1
151.14787	2.8
159.11693	3.2
161.13222	1.1
163.11125	1.9
163.14801	2.0
167.10512	1.0
173.13248	4.8
175.14784	0.8
177.12770	1.7
179.14293	1.2
181.12251	1.0
187.14803	2.3
191.14272	1.2
195.13754	2.5
197.94232	0.7
201.16325	0.8
209.15379	3.9
223.16876	1.9
243.20909	1.2
261.21988	2.7
268.38766	0.7
279.23166	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2318
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
52.56408	0.9
53.03946	1.9
55.05515	6.5
57.07073	1.3
65.03940	3.4
67.05505	94.7
68.05848	0.9
69.07069	7.9
71.04993	1.1
71.50388	2.0
79.05494	9.8
81.07055	100.0
82.07388	1.5
83.08613	5.7
85.06550	1.1
89.71146	1.1
91.05480	2.9
93.07027	7.1
95.08605	77.4
96.08963	1.9
97.06576	1.4
97.10160	2.2
97.82133	0.8
105.07027	1.7
105.84215	0.8
107.08585	6.1
109.06551	1.2
109.10159	47.2
119.08557	2.3
121.10137	4.2
123.08093	1.4
123.11710	28.4
131.08554	2.8
133.10115	2.6
135.11656	4.6
137.13240	10.3
145.10097	1.4
147.11713	1.6
149.13260	3.3
151.14822	1.2
159.11572	0.9
161.13283	1.5
163.11229	1.3
170.50589	0.9
173.13280	3.3
177.12805	1.1
181.12346	1.2
187.14801	1.7
191.14317	1.3
195.13788	1.8
209.15417	2.3
223.16916	2.0
223.34183	0.9
243.21220	1.5
261.22079	2.5
279.23193	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	279.2317
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
50.39006	2.1
51.50340	2.1
53.03927	3.2
55.05502	7.7
55.98260	2.3
57.07069	6.2
58.97722	2.3
67.05502	100.0
69.07070	13.8
69.20554	2.1
70.78020	4.4
70.78391	5.1
71.08635	5.6
71.43747	2.2
78.89692	2.2
79.05482	22.0
79.21748	2.1
81.07055	80.9
83.08614	3.8
90.09013	2.1
91.05479	9.4
93.07045	21.1
95.08607	54.7
99.08094	3.5
102.28708	2.1
105.07050	8.2
107.08592	10.1
107.61732	2.4
109.10159	21.6
119.08572	2.5
121.02842	4.1
121.10152	8.0
123.11703	6.6
135.11676	5.0
137.13249	5.7
147.11690	3.8
149.02350	29.2
155.53085	2.5
160.72900	2.5
173.13333	3.3
219.05807	3.6
219.08028	3.7
220.17596	2.0
240.16295	2.4
249.09119	4.6
270.59497	2.4
279.08820	2.3
279.23215	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	279.2318
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
52.55966	1.1
53.03937	4.0
55.01867	3.1
55.05513	13.1
56.96568	8.7
57.03431	3.4
57.07082	8.2
64.09005	1.1
65.03929	2.7
67.05505	68.9
68.05827	1.2
69.07069	16.9
69.42171	3.1
69.42563	11.0
71.04977	3.5
79.05493	23.2
81.03438	1.4
81.07058	94.4
82.07388	1.9
83.04981	2.2
83.08610	11.5
84.08148	1.6
85.06542	2.7
86.09698	1.8
86.79192	1.4
91.05477	13.2
93.07049	26.5
94.07378	2.3
95.04961	4.1
95.08607	100.0
96.08944	2.4
97.06535	3.1
97.10173	5.3
98.20756	1.8
98.97589	9.9
99.08062	1.8
104.10753	3.1
105.07033	6.8
107.04955	3.6
107.08588	13.0
109.06526	2.6
109.10155	37.1
110.52701	1.6
110.97575	2.7
111.08070	3.0
113.09597	1.5
116.98617	12.5
117.07003	3.0
119.08583	6.3
121.02866	3.5
121.10146	14.6
123.08058	3.5
123.11703	14.0
125.09581	2.0
128.98608	5.5
131.04889	2.0
131.08563	2.7
133.10123	5.3
133.64708	1.4
134.99655	11.6
135.08102	2.4
135.11673	11.6
137.13243	3.6
138.53033	1.4
145.10152	5.1
146.99632	7.3
147.11726	7.3
149.02350	44.7
149.13257	4.5
151.14799	1.9
153.00615	2.8
158.99644	3.6
159.11734	2.7
161.13281	4.2
163.14943	1.3
165.00746	1.9
167.03436	1.7
173.13275	2.2
177.00728	11.5
184.07349	2.9
187.14891	2.0
189.00696	8.0
191.08669	1.4
200.02354	1.9
203.17976	1.6
207.01804	4.3
219.05774	6.2
219.07805	2.1
223.16821	2.3
234.82722	1.6
236.14243	3.1
237.02716	2.6
243.21097	3.7
249.09109	4.4
249.65163	1.7
258.15601	4.1
261.22159	6.4
279.09317	10.1
279.19702	3.8
279.23166	19.7
279.95093	1.4
280.09662	2.2
291.31131	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1953
Annotation	Panaxjapyne C
Peak:m/z	Relative Intensity
50.91547	1.6
53.03944	16.1
55.01865	9.2
55.05502	14.1
56.96571	9.5
57.03422	3.9
57.07077	10.8
65.03921	3.4
67.05504	40.7
69.07069	100.0
71.08623	2.2
71.59269	2.5
79.05487	26.8
81.02934	1.9
81.03416	37.8
81.06581	2.7
81.07050	43.2
83.04990	4.2
83.08614	6.5
84.08139	2.0
85.06538	2.5
86.09699	5.7
88.91706	1.6
91.05476	24.7
92.05802	1.8
93.07039	22.4
94.07372	2.0
95.04973	16.8
95.08608	18.7
96.08936	2.2
97.06546	13.6
98.97570	15.5
99.08083	2.4
105.07031	15.0
106.07350	1.7
107.04953	30.9
107.08582	14.0
109.06513	7.6
109.10156	7.6
110.97521	3.4
111.08025	2.0
116.98620	13.8
117.07027	8.0
119.08595	10.2
121.02843	5.8
121.06493	4.9
121.10146	15.3
123.08078	7.9
128.47369	1.6
128.98596	5.6
129.06992	4.0
131.04924	3.2
131.08537	10.1
132.05692	3.1
133.10118	7.2
134.99658	16.9
135.08044	4.7
135.11702	9.9
137.09584	2.7
138.52948	1.9
145.06465	5.3
145.10121	13.7
146.99660	12.3
147.11668	8.0
149.01144	3.9
149.02339	69.9
149.09610	13.6
149.13329	2.2
151.11201	4.4
153.00700	4.2
155.08516	5.4
157.10020	2.5
158.99655	4.0
159.11653	4.8
161.13269	1.7
163.11188	12.9
165.00677	2.9
165.07112	1.8
165.12750	7.1
167.03365	2.4
171.11644	2.7
173.09613	9.1
175.11226	2.0
177.00720	19.4
180.17932	1.7
180.72482	1.7
187.11168	2.6
189.00722	9.4
191.10667	4.6
195.01884	2.0
201.00714	2.4
201.12624	2.0
205.12244	2.1
205.15891	2.5
207.01767	4.5
215.18056	2.8
219.05731	13.8
243.17403	3.8
249.09128	4.6
258.15497	1.9
261.09076	2.5
261.18536	15.5
279.09418	21.3
279.16391	3.2
279.19528	56.5
279.22330	5.3
280.09814	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2319
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03938	1.9
55.01880	0.9
55.05513	10.3
56.64334	0.5
57.03432	1.3
57.07074	5.7
65.03937	3.2
67.05508	100.0
68.05832	0.8
69.07070	11.1
70.56593	2.2
70.96352	0.6
71.04987	2.4
73.63875	0.5
79.05497	15.0
81.07061	97.7
82.07382	0.9
83.05004	1.9
83.08623	5.8
85.06544	1.8
86.59116	0.6
91.05474	5.7
93.07050	14.6
95.04977	1.1
95.08611	83.9
96.08933	0.9
97.06541	2.3
97.10191	3.3
99.08144	0.7
105.07037	4.8
107.08598	10.5
109.06522	2.1
109.10161	43.5
110.10563	0.7
111.08063	1.2
111.11761	0.9
113.79098	0.6
117.06997	1.7
119.08567	3.7
121.02835	0.7
121.10144	8.4
123.08059	1.6
123.11713	23.6
127.07555	0.8
131.08591	4.8
133.10175	2.9
135.08037	1.5
135.11665	5.5
137.09627	0.8
137.13263	8.5
145.10089	3.5
147.11734	4.1
149.02350	17.2
149.09595	2.0
149.13278	3.9
150.02672	0.7
151.11191	1.6
151.14845	2.8
153.09138	1.2
159.11719	2.8
161.13310	2.1
163.11169	2.3
163.14821	2.4
165.12717	1.1
165.16357	0.9
173.13243	4.5
177.12747	1.8
177.16368	1.1
179.14342	0.9
181.12233	2.1
187.14851	3.4
191.14230	1.0
195.13837	2.2
201.16324	1.1
205.15749	0.9
209.15459	1.9
219.05690	0.8
219.08028	0.7
219.21033	0.7
223.16986	3.1
237.18417	0.8
243.21024	3.0
249.09042	1.4
261.22107	3.9
279.09415	1.1
279.19888	2.1
279.23193	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1702
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
51.55495	0.8
55.05498	0.9
56.96584	0.9
57.07071	2.2
58.18259	0.7
60.05613	0.6
61.83716	0.6
67.05494	1.7
69.07054	1.1
70.05794	1.1
70.06203	2.7
70.06583	2.9
72.08164	0.9
72.47672	0.7
79.05503	1.0
81.07042	1.2
84.04476	1.2
84.08120	1.4
86.09702	100.0
87.10010	1.6
91.05489	0.9
93.07039	1.8
95.08602	1.1
98.20856	0.9
98.97566	6.7
103.05469	5.0
107.04974	4.1
110.97544	0.9
116.98626	8.4
120.08101	69.8
121.02885	0.7
121.08449	1.6
128.98615	2.5
129.10262	0.8
132.10194	1.3
134.99655	4.3
146.99648	3.1
149.02335	11.4
153.00650	0.8
158.99664	1.5
166.08615	9.8
170.99622	0.7
177.00681	6.7
182.30571	0.7
189.00746	2.3
189.06943	0.9
195.01849	0.9
207.01819	1.8
219.08060	0.7
233.16489	1.3
237.02858	0.8
255.04117	0.9
261.08954	0.8
279.11081	1.1
279.17096	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	279.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.1
56.05033	0.9
56.96560	1.2
57.03434	0.4
57.05806	0.7
57.07066	1.3
58.06595	0.3
58.99586	0.3
65.03951	0.3
67.05496	1.3
69.07068	12.9
70.06592	4.4
71.04988	0.5
71.58160	0.5
72.08164	1.6
79.05492	0.6
81.03407	0.4
81.07066	0.6
84.04501	0.9
84.08148	2.8
85.01106	0.4
85.02887	0.5
86.09704	100.0
87.10028	1.1
91.05479	4.3
93.07041	0.7
95.04959	0.8
95.08579	0.7
98.97572	4.6
102.03761	0.5
103.05460	1.3
104.10706	0.3
105.07033	0.8
107.04957	3.1
107.08606	0.4
109.06532	0.4
110.07133	0.5
110.97581	0.7
115.05410	0.4
116.01664	0.4
116.98620	5.6
117.07018	0.5
119.04962	0.8
119.08606	0.4
120.08102	9.6
121.02866	1.0
121.06529	0.4
121.10120	0.4
122.67884	0.3
123.04432	0.8
128.06186	0.4
128.98592	1.8
129.06946	0.5
129.10257	1.3
130.06544	0.9
131.04921	2.2
132.05745	0.5
132.08076	0.3
133.06477	0.8
134.99657	4.7
136.07585	0.9
140.00156	0.4
142.05077	0.3
145.06496	0.6
146.06021	0.8
146.99644	2.7
147.04422	0.7
149.02336	11.1
153.00717	1.0
157.06522	1.1
158.99696	1.1
159.09183	0.4
162.02234	0.5
165.00745	0.6
166.08655	4.1
167.03300	0.3
170.99654	0.6
177.00702	5.0
184.07394	0.7
185.06027	0.8
188.07011	0.5
189.00708	1.8
190.07845	0.4
191.08504	0.4
195.01753	0.8
197.86719	0.3
205.10211	0.4
207.01761	1.5
218.07326	0.4
219.01718	0.4
227.13641	0.4
233.09627	0.8
233.16484	0.3
236.08238	0.4
237.02806	0.6
243.08075	0.3
249.09186	0.8
251.10680	1.2
255.03845	0.5
261.09161	1.6
261.11771	0.3
261.14984	0.4
279.10117	1.7
279.13620	0.5
279.16992	0.9
280.13464	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1373
Annotation	Pantetheine
Peak:m/z	Relative Intensity
53.03925	0.7
53.66107	0.8
55.05511	32.3
57.07059	1.7
58.99583	14.8
60.04518	0.8
61.01148	0.9
69.07050	0.9
70.06597	6.2
72.08153	2.0
73.01137	1.6
73.36819	0.7
76.02228	6.3
76.03992	2.5
81.07051	1.9
83.08620	28.0
84.08113	1.9
84.87417	0.7
86.09694	2.4
86.99052	14.9
88.02203	3.0
91.05458	1.0
95.04958	0.7
95.08593	1.2
98.97563	3.6
105.06975	1.4
107.04954	1.5
110.07174	1.1
110.97610	0.7
116.01674	51.8
116.07098	1.0
116.98605	3.5
128.98615	1.7
129.07320	0.9
130.05069	1.0
133.06462	1.6
134.99657	1.7
144.01141	21.9
146.99632	1.8
147.04416	1.0
149.02338	11.9
149.07433	2.5
158.99649	1.2
159.08383	7.1
162.02197	100.0
163.02463	0.9
177.00716	3.8
189.00659	1.6
207.01776	1.1
243.07976	0.9
249.09088	1.0
262.11063	14.4
262.13632	1.4
279.10162	0.9
279.13654	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1373
Annotation	Pantetheine
Peak:m/z	Relative Intensity
53.03942	0.5
55.01879	0.4
55.05509	37.0
56.96570	0.4
57.03438	0.4
57.07072	0.8
57.98803	0.4
58.99581	19.4
61.01151	1.0
67.05490	0.5
69.03429	0.3
69.07076	0.4
70.06602	1.8
71.05006	0.3
72.08173	0.4
73.01146	1.7
76.02224	6.5
76.03998	3.9
79.05495	0.9
81.03400	0.3
81.07066	1.3
83.08614	30.8
84.04497	0.8
84.08147	0.7
84.08946	0.3
85.01166	0.5
85.02898	0.4
86.09715	0.8
86.99049	15.7
87.04449	0.4
88.02219	4.8
91.05473	3.7
93.07020	0.4
95.04984	0.4
95.08619	0.4
97.06516	0.3
98.97588	1.3
99.02602	0.3
101.09639	1.6
105.07003	0.5
107.04949	0.6
107.08556	0.5
107.29076	0.3
115.05783	0.6
116.01670	60.7
116.07066	0.4
116.98593	1.2
117.27637	0.3
119.04905	0.5
120.08103	0.4
121.02866	0.4
123.04418	0.3
128.98622	0.5
129.07300	0.9
129.10204	0.3
130.04979	0.8
134.99648	0.9
141.07320	0.3
144.01134	28.6
145.06216	0.3
146.99677	0.3
147.04382	0.4
147.23462	0.2
149.01151	0.5
149.02325	7.0
158.99693	0.5
159.08379	7.9
162.02191	100.0
163.02538	0.4
177.00696	1.7
177.05383	0.3
179.04823	0.7
191.08620	0.3
193.14340	0.3
195.01776	0.4
219.05759	0.3
221.08011	0.6
244.10022	0.9
262.11066	18.3
279.09653	0.7
279.13626	2.0
279.17560	0.8
279.20432	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.0
55.78088	0.5
57.07052	0.5
70.06577	1.3
70.71063	1.4
79.05494	3.0
84.04507	13.8
84.08132	1.1
91.05462	0.5
98.97573	1.8
101.07167	1.0
103.05463	1.7
105.07030	26.9
107.04913	0.5
115.05429	0.9
116.98591	1.5
122.77472	0.5
128.98582	0.6
129.10272	0.6
130.05014	23.9
131.04942	0.7
133.06493	100.0
134.06830	1.1
134.99548	0.6
146.99632	0.8
147.07651	15.7
149.02390	3.6
177.00706	1.1
207.01817	0.7
228.33060	0.6
279.13474	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.01868	0.3
55.05505	40.4
57.98790	0.7
58.99579	19.9
61.01137	1.3
67.05487	0.3
69.33405	2.2
70.02940	0.3
70.06581	0.5
70.62410	0.2
73.01134	2.2
74.00639	0.2
75.02686	0.2
76.02218	6.4
76.03996	4.1
79.05477	0.4
80.22718	0.2
81.07050	0.7
83.08610	32.0
84.04527	0.3
84.08105	0.3
85.01091	0.4
86.09708	0.3
86.99043	15.7
88.02206	4.7
88.03969	0.3
92.30956	0.2
96.66761	0.2
98.97578	0.4
101.09645	1.7
104.67857	0.3
107.08600	0.5
110.07177	0.2
113.99124	0.2
115.05817	0.7
116.01663	66.7
116.98655	0.4
117.01989	0.3
119.81007	0.2
129.07315	0.8
130.04979	0.8
141.07329	0.3
142.04584	0.2
144.01129	30.1
149.02318	2.0
159.08379	7.3
162.02182	100.0
163.02533	0.6
177.00694	0.4
178.34090	0.2
179.04805	0.5
185.20630	0.2
244.10037	1.3
244.12079	0.2
256.73517	0.3
262.11057	18.8
279.13718	1.4
293.78040	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04436	0.3
55.01868	1.4
55.05502	0.6
56.05029	0.8
56.96561	1.0
57.07067	1.1
65.10617	0.3
65.88514	0.3
67.05489	1.1
70.06596	5.6
71.17498	0.9
72.08150	1.1
79.05485	3.1
81.07069	0.9
84.04505	15.6
84.08140	2.7
85.02895	1.1
86.09707	1.7
91.05470	0.7
95.04945	0.8
95.08604	1.1
96.36556	0.5
97.02903	0.5
98.97586	5.5
101.07128	0.9
102.05563	0.4
103.05460	2.4
103.46066	0.3
105.07033	30.9
106.07354	0.4
107.04935	1.2
110.07151	0.8
110.97574	0.8
114.80949	0.4
115.05447	0.9
116.98618	5.1
120.08095	0.8
121.02813	0.6
121.06500	0.4
128.98627	2.0
129.10248	1.0
130.05002	24.0
131.04915	1.1
133.06491	100.0
134.06839	1.1
134.99646	4.3
144.08083	0.6
146.05988	0.5
146.99652	2.5
147.07648	17.2
148.61848	0.4
149.01149	0.7
149.02345	12.3
153.00732	0.6
158.99686	1.9
165.00684	0.4
170.99635	0.4
177.00726	5.0
189.00740	2.5
195.01776	0.7
207.01781	1.5
219.01765	0.6
226.21490	0.4
279.13470	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37234	0.3
55.05496	1.0
56.05025	2.7
56.96561	1.5
57.07074	2.8
64.17411	0.4
67.05507	1.6
69.03440	0.4
69.07073	0.5
69.88532	2.1
70.06594	1.7
72.08159	0.5
79.05472	0.6
81.07055	1.6
82.06585	0.3
84.04469	0.7
84.08138	100.0
85.02901	0.6
85.08472	0.5
86.09692	0.8
87.04465	0.5
91.05486	0.5
91.08015	0.4
93.07029	0.5
95.04972	0.4
95.08635	1.0
97.02867	0.5
98.97567	2.8
107.04940	2.2
107.08589	0.4
111.05563	0.6
112.08739	0.4
116.98611	3.4
119.05006	0.4
121.02859	0.9
123.11654	0.4
128.98590	0.9
129.10321	0.4
133.06494	0.6
134.99667	3.6
142.03482	0.6
143.30086	0.4
144.08072	0.4
146.06027	0.5
146.99657	1.4
147.04398	1.4
149.01128	0.9
149.02332	17.8
150.05487	4.1
153.00714	0.6
158.99625	1.1
162.05489	1.1
167.03424	0.6
170.99646	0.4
177.00691	4.4
188.10707	0.6
189.00693	1.2
195.01762	0.8
207.01712	0.4
215.11757	4.4
218.23004	0.4
219.05687	0.6
233.12846	22.8
237.02783	0.9
243.25977	0.5
279.10028	0.9
279.13354	12.7
279.15878	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82599	1.3
56.96567	15.0
57.03424	2.6
57.07080	2.3
69.03439	7.6
70.06596	11.1
71.04985	3.1
71.06120	1.9
72.08147	5.2
73.02879	1.4
76.40123	1.1
77.29820	1.3
81.03410	2.2
83.84695	1.4
84.04501	1.9
84.08147	10.2
84.30569	1.5
85.02898	11.8
85.08488	1.6
86.09685	2.0
91.05470	1.8
93.83987	1.2
97.02895	14.2
98.97585	100.0
99.04449	4.6
101.00863	5.7
107.04950	1.9
109.02863	5.3
110.07178	2.5
110.97559	22.0
116.98621	84.6
119.01923	29.8
119.04905	1.6
127.03950	7.9
128.98608	43.9
129.10257	2.7
131.01912	6.8
134.09604	2.0
134.98637	3.2
134.99661	55.1
137.02957	6.9
140.66499	1.5
143.01886	2.1
145.04948	3.5
146.99652	36.3
147.04398	4.3
149.02264	17.5
153.00699	7.0
155.01866	2.5
158.01253	2.4
158.98309	1.8
158.99651	31.1
161.02943	7.4
165.00726	6.1
170.99681	12.1
173.02939	8.4
177.00706	83.6
177.02412	18.8
189.00716	43.0
189.02341	2.1
191.03986	2.7
195.01784	12.6
195.03415	2.7
200.02269	4.2
207.01764	26.5
207.03552	3.3
219.01727	2.7
221.05042	3.5
237.02800	7.2
239.06052	2.6
249.02626	1.7
255.03836	2.8
279.03638	3.0
297.05099	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1016
Annotation	Ovalitenin A
Peak:m/z	Relative Intensity
53.03942	1.8
55.01871	38.1
55.05502	1.2
56.02205	0.6
56.96568	0.5
57.03439	0.7
57.07066	1.2
65.03938	0.6
67.05502	1.9
69.03427	1.0
69.07052	1.2
70.04079	0.8
71.57611	0.5
71.59917	0.7
77.03928	0.6
79.05492	10.8
81.03412	1.6
81.07057	2.9
91.05478	8.6
93.07047	1.5
95.04966	7.4
95.08596	2.5
98.97558	1.5
103.05468	11.9
105.04513	1.3
105.07023	5.1
107.04951	85.8
107.08565	0.9
108.05273	0.6
108.08128	0.6
109.10163	1.0
111.04418	0.7
115.05460	2.2
116.98621	1.6
117.06998	1.1
119.04941	10.4
119.08559	0.9
121.02866	2.2
121.06469	1.2
121.10137	0.8
123.04417	1.3
125.05973	2.1
128.06219	2.9
129.07033	5.0
131.04924	100.0
132.05725	18.1
133.06494	7.9
133.10095	0.6
134.99635	1.6
135.03372	1.1
135.04413	20.9
135.11661	0.6
139.05472	0.9
141.06956	0.9
143.04927	1.2
144.05698	2.4
145.06477	4.3
146.99683	0.8
147.04405	15.2
148.05177	1.3
149.02348	13.2
149.05907	1.4
149.09702	0.8
153.06931	0.9
155.04878	1.4
157.06485	12.6
158.07230	0.9
159.04437	1.9
161.05959	2.0
162.02263	0.6
165.07016	2.7
166.22769	0.5
167.03366	0.6
167.04749	0.7
167.08551	1.2
168.05699	1.7
171.04410	0.8
173.05971	1.2
177.00723	2.0
178.07765	1.2
179.08595	2.2
181.06477	2.0
181.10149	0.6
182.07208	1.2
183.01169	0.6
185.05981	11.9
189.06961	6.3
190.07764	10.4
191.08565	3.7
193.10187	0.7
194.07275	3.1
195.01646	0.7
195.07991	2.5
196.23985	0.5
202.07756	5.0
203.08540	9.0
204.09346	2.3
204.79701	0.5
205.06512	1.8
205.10126	9.4
206.07199	1.1
207.01636	0.6
207.08041	6.5
208.08835	4.6
209.09630	1.7
210.06770	2.0
214.07838	0.8
215.08560	27.9
216.09218	1.6
218.07262	18.3
219.08049	7.5
220.08659	1.2
221.05989	1.2
221.09656	1.9
223.07573	3.4
223.11185	2.4
224.08293	2.4
226.07784	0.9
231.05728	0.7
231.08041	11.3
232.08769	3.8
233.09596	27.2
234.06754	1.4
234.10176	1.5
235.07515	9.0
236.08331	7.4
237.09079	3.9
242.07307	2.1
243.07974	8.0
244.08813	4.2
246.06699	0.9
247.07568	3.1
249.09158	4.2
250.09821	1.4
251.10657	10.2
259.07559	0.8
260.08292	2.7
261.09097	54.6
261.18497	1.0
262.09573	2.3
263.07071	1.1
264.07846	1.2
279.10150	92.7
280.10486	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84655	0.8
53.03942	3.0
55.01874	5.5
55.05499	1.5
56.05029	4.4
56.96568	13.6
57.03435	8.7
57.07073	3.3
58.06597	1.0
58.99844	1.2
59.05000	4.5
60.04519	2.2
61.01135	1.6
61.02929	7.1
67.05499	2.7
68.05022	1.0
69.03429	47.5
70.02975	1.0
70.06594	21.2
70.88100	2.5
70.98119	1.1
71.01367	1.8
71.04995	14.9
71.06105	3.0
71.06911	1.1
71.95248	1.4
72.08157	8.2
73.02915	6.2
73.03246	0.9
74.02455	1.4
74.06099	1.7
74.09707	0.9
77.00919	2.6
81.03416	14.0
81.07079	1.6
82.99871	1.3
84.04488	4.8
84.08144	19.4
84.96008	0.9
85.02906	57.9
85.08470	1.4
86.09710	5.2
87.04474	1.8
88.99179	1.0
89.06031	2.5
89.60531	0.9
91.05467	2.4
93.07090	1.2
95.01955	1.4
95.06099	1.5
96.08105	1.1
96.55057	0.9
97.02893	56.7
98.06071	1.3
98.97581	50.2
99.04454	19.8
101.00880	15.8
101.02374	3.0
102.05537	1.8
103.00672	1.4
103.03934	2.6
104.05311	2.6
107.04969	3.6
109.02878	20.0
110.07169	3.2
110.97569	8.5
111.00837	1.1
111.02898	1.0
112.11230	2.0
113.00908	2.9
114.05531	1.0
115.02427	2.2
115.03937	1.8
115.08679	2.5
116.07085	2.0
116.98621	46.1
117.05511	3.3
119.01922	100.0
119.04881	1.6
120.02022	3.8
121.01648	7.7
123.04467	1.1
127.03920	54.0
128.02350	2.3
128.98605	23.5
129.10315	4.6
129.11150	1.1
130.04997	2.7
130.08681	1.0
131.00224	1.3
131.01901	22.9
131.02823	1.6
133.01614	2.0
133.03453	7.0
134.09593	1.7
134.99664	29.1
136.07625	4.9
137.02962	25.3
138.06732	1.2
139.02704	1.6
139.06166	7.8
139.08696	0.9
140.00256	1.0
140.04991	4.2
140.55122	1.0
142.03493	2.7
143.00154	1.2
143.01900	13.9
143.03149	1.0
143.03461	1.0
143.08177	1.0
144.99855	1.0
145.03499	2.5
145.04968	15.2
146.99655	26.7
147.01384	1.6
147.03198	0.9
147.05074	1.2
149.02365	11.0
151.04538	1.5
153.00768	5.2
154.03497	0.9
155.01903	9.7
157.03488	2.3
158.01311	2.1
158.06430	1.0
158.09306	1.5
158.99660	14.5
159.01193	5.2
159.03229	1.1
161.01430	2.0
161.02946	27.7
162.03117	1.1
163.02654	8.1
163.06038	1.2
165.00705	7.6
166.05344	3.4
167.04120	0.9
169.05431	1.3
169.07173	1.0
170.99677	7.6
171.01250	1.9
173.02963	27.0
173.04501	1.4
175.02739	3.4
175.04407	0.9
176.06036	1.2
176.99149	2.2
177.00728	48.5
177.02464	50.5
177.04128	3.3
178.02580	1.2
179.04024	0.9
185.02983	3.4
187.02788	2.7
189.00754	26.1
189.02422	4.2
189.03894	1.8
191.02333	1.5
191.03987	8.3
193.03716	0.9
195.01764	6.8
195.03548	6.4
196.04475	1.6
200.02361	2.2
200.04034	2.2
201.00737	1.1
201.02481	1.5
201.04274	1.2
203.03816	4.5
203.05722	1.3
205.03798	1.2
207.01775	16.5
207.03557	7.0
207.05177	1.5
217.05804	1.2
219.01701	1.9
219.03513	6.2
221.05022	10.5
225.02771	1.2
230.99796	1.7
236.13715	2.1
237.02831	4.4
239.06090	7.6
244.06415	1.0
245.05240	1.1
247.02879	1.4
249.04605	2.2
251.04233	1.3
255.03932	2.4
256.05032	1.9
258.08142	1.5
261.04559	2.6
261.10175	1.3
263.02545	1.7
279.05322	1.6
279.08093	4.4
279.13773	1.2
279.67755	1.6
297.05048	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	13.0
57.03407	1.6
57.07068	3.8
61.02901	1.2
67.05501	1.8
69.03421	2.7
70.06592	11.3
70.15649	4.8
71.04999	2.1
71.95248	2.4
72.08139	5.1
73.02893	1.8
78.48120	1.2
79.05497	1.4
81.03400	2.0
81.07085	1.2
84.04501	2.1
84.08135	11.8
85.02912	5.9
85.08475	1.6
86.09703	2.6
90.08746	1.1
97.02888	9.8
98.97581	100.0
99.04446	3.1
100.07668	1.2
101.00871	4.5
105.96316	2.0
107.04957	1.8
109.02856	3.8
110.97557	21.6
114.06879	1.1
116.98618	86.5
119.01906	15.9
120.08066	1.2
127.03928	5.2
128.98602	40.3
129.10231	3.4
131.01907	6.0
134.99654	53.9
136.07527	1.6
136.42555	1.2
137.02983	3.6
140.00180	1.6
142.03407	1.4
143.00159	1.3
143.01886	2.5
146.99649	38.7
147.04419	4.2
149.02290	19.6
153.00717	10.8
155.01912	2.2
158.01239	2.4
158.99660	29.2
159.01164	2.1
159.01408	1.9
161.02968	5.2
165.00700	7.7
168.72462	1.1
170.99620	13.0
173.02930	5.6
177.00728	84.5
177.02406	11.7
189.00713	48.6
189.02130	1.0
191.03868	1.8
195.01793	12.1
195.03397	1.9
200.02306	3.7
207.01764	27.3
207.03575	2.1
219.01790	3.5
221.75479	1.1
225.02898	2.1
230.44841	1.1
237.02824	5.8
239.06221	1.6
255.03839	4.2
279.03760	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	278.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94994	0.5
55.05477	1.5
56.96538	1.2
57.07070	39.4
57.07331	1.5
67.05466	2.4
69.07024	1.5
70.04039	2.0
70.66093	1.4
70.66467	1.1
79.05499	3.0
80.05821	0.6
81.07011	1.8
82.07359	0.8
83.08578	0.9
83.88595	0.6
91.05431	1.9
92.05768	1.1
93.07050	3.5
94.07314	1.1
95.04925	1.4
95.08583	1.4
96.05583	0.6
98.97559	0.7
105.07003	1.2
107.08552	2.4
107.28070	0.6
108.08872	0.9
113.05945	1.7
116.98558	1.0
120.05573	3.6
120.08909	0.8
121.10093	1.1
122.10388	0.8
123.11700	0.8
124.05063	0.7
125.01549	0.8
134.10378	0.8
135.08017	1.7
135.11708	1.4
136.05046	29.4
136.12010	0.8
137.05861	3.7
149.02315	1.9
153.09102	0.9
177.00533	0.9
222.12354	100.0
223.12708	2.1
236.17192	1.4
255.09029	1.4
273.10135	1.9
278.18625	85.7
279.18958	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	278.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54332	3.2
56.05031	4.5
56.96567	4.0
70.06585	3.5
70.26868	2.7
70.97285	5.1
70.97619	5.6
72.49688	3.3
74.02428	4.8
75.31367	3.4
80.05035	3.1
84.04520	4.6
84.08128	4.8
86.09687	3.5
91.05460	8.2
93.67883	3.2
94.06573	5.4
98.97599	17.0
106.06550	4.8
110.05994	3.5
110.97545	6.4
115.05454	6.1
116.81289	3.6
116.98596	17.6
117.07024	3.6
118.06551	14.0
119.04939	5.8
119.16795	3.0
121.07616	4.9
128.98582	6.5
130.06529	17.6
131.07222	4.6
132.04405	6.1
132.06853	4.0
132.08084	6.2
133.05278	3.2
133.06581	3.5
133.07617	9.0
134.05949	7.5
134.99670	14.1
136.07581	11.4
142.06516	8.9
144.08096	13.9
144.54942	3.5
145.06573	4.3
145.07607	21.1
146.06006	74.5
146.99652	9.5
147.04398	14.1
147.05539	10.6
147.06741	4.9
148.03909	6.0
148.07524	4.8
149.02345	11.6
149.07140	5.5
155.06087	4.6
156.04430	4.3
156.06825	7.6
156.08026	4.0
157.05255	8.4
157.07625	7.8
158.06047	14.3
158.08325	6.2
158.99695	7.7
159.06761	5.7
159.09221	27.0
160.07585	17.3
161.07121	12.7
162.05528	10.3
163.08696	3.6
164.06992	4.5
169.07603	37.3
170.06033	25.6
170.99657	3.8
171.05515	22.6
171.09149	9.6
172.03955	4.5
172.07558	8.9
173.07117	43.9
174.05469	15.4
174.07872	10.8
175.06244	4.2
175.08757	6.4
177.00703	22.3
177.06586	5.6
185.07098	6.5
186.10257	9.6
187.08685	53.1
188.07079	17.6
189.00735	11.4
189.06601	23.4
190.05138	5.6
191.08174	14.0
196.08791	7.2
197.07088	48.4
198.05458	7.7
201.06543	15.4
204.06593	6.8
205.09729	10.9
207.01646	4.5
207.98512	4.0
214.09764	50.6
215.08209	32.9
216.06558	11.1
217.09744	6.4
219.07616	32.6
220.08286	4.2
232.10802	94.7
233.09274	18.1
234.13052	3.1
243.07730	18.0
250.12071	4.2
260.10309	29.1
261.08649	42.8
278.08435	5.5
278.11346	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03928	3.7
55.01858	3.1
55.05506	15.7
57.03418	1.5
57.07057	3.7
60.95858	1.1
64.71622	1.1
65.03944	2.3
67.05502	35.5
69.07060	15.1
69.35857	3.0
69.36261	9.4
71.04973	2.8
71.51353	1.2
79.05489	72.2
81.07054	42.5
83.08618	8.8
85.06531	2.3
91.05477	27.6
93.07040	100.0
94.07375	1.5
95.04524	0.9
95.04977	9.6
95.08601	25.8
95.09199	1.1
97.06533	3.0
97.10149	2.7
105.04532	2.0
105.07023	17.6
107.04945	2.2
107.08588	46.5
109.06496	3.7
109.10135	12.5
117.07008	4.4
119.08576	11.6
121.10139	39.0
123.08029	2.9
123.11678	3.4
129.06966	2.1
131.08557	4.4
133.10123	12.3
135.08112	1.2
135.11684	47.6
137.09566	1.6
143.08577	1.4
145.10144	4.2
146.46460	1.5
147.11700	10.3
149.09628	2.0
149.13235	20.5
157.10165	1.8
159.11681	5.4
161.13240	4.4
163.11205	2.0
163.14824	6.2
171.11694	3.2
173.13283	1.6
175.14783	3.1
177.12784	1.8
181.12294	1.3
185.13240	1.6
199.14842	3.0
207.13853	2.3
217.15875	1.9
221.15475	2.2
231.17375	1.6
235.16907	6.1
241.19534	2.4
252.62608	1.5
259.20544	5.7
277.21619	64.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	Stearidonate
Peak:m/z	Relative Intensity
50.87138	1.2
53.03929	4.7
54.21924	1.3
55.01869	42.5
55.05265	1.9
55.05508	30.7
57.07066	8.7
63.88799	1.2
65.03944	2.2
67.05502	40.5
69.03423	2.3
69.07063	21.4
71.04977	4.2
71.08606	5.9
71.44114	2.3
79.05489	53.2
79.05956	2.6
81.03427	3.8
81.07053	58.3
83.04968	11.9
83.08611	19.1
85.06519	2.5
85.10163	1.6
91.05476	35.2
93.07038	68.4
95.04964	14.2
95.08598	38.1
97.06528	10.4
97.10145	2.7
99.08078	5.3
101.69424	1.3
105.04498	1.6
105.06372	2.3
105.07025	25.3
107.04961	3.2
107.08592	37.9
109.06516	8.6
109.10159	14.0
111.08073	41.3
113.09623	2.1
113.10371	1.6
117.06971	3.4
119.08567	17.0
120.81023	1.2
121.06503	2.6
121.10133	29.8
121.14092	1.3
123.08038	4.5
123.09115	2.0
123.11710	5.5
124.07601	2.4
125.09634	2.9
129.07004	2.6
131.08560	5.7
133.10121	23.5
135.07994	1.7
135.11685	31.6
136.08607	1.6
137.09576	2.7
137.13223	2.0
139.11253	3.0
143.08530	2.7
145.10086	3.9
147.08049	1.7
147.11673	14.3
148.08641	1.8
149.09598	5.8
149.13257	18.9
151.11148	5.4
153.09041	1.7
153.12762	2.4
157.10132	4.4
159.11681	3.7
161.13246	9.0
162.06573	2.9
163.11183	4.0
163.14799	7.0
165.12749	7.2
168.11336	4.1
171.11658	4.4
173.13129	1.8
175.11121	2.0
175.14815	4.1
179.14238	3.5
185.13322	2.3
189.12669	2.1
193.12234	2.5
194.09267	12.6
199.14743	1.6
207.13806	2.9
212.10252	6.7
215.15463	1.2
221.15364	3.3
231.17529	1.5
231.21133	3.8
232.14426	1.8
235.16849	6.6
241.19528	2.8
249.22112	4.6
250.15468	1.4
259.20636	8.1
260.13925	5.9
277.21609	100.0
278.14978	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	277.216
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03948	5.2
55.01871	14.8
55.05258	1.8
55.05506	24.7
56.96555	3.0
57.03428	2.7
57.07073	6.4
64.15131	1.1
65.03939	2.5
67.05500	46.5
69.07059	20.8
70.10915	2.6
70.11311	2.3
71.04969	4.2
71.08627	16.0
79.05486	53.4
81.03407	4.4
81.07052	45.9
81.76719	1.4
83.04957	4.7
83.08614	12.7
85.06525	4.7
85.10170	2.4
91.05475	30.8
92.05801	1.1
93.07036	71.1
95.04961	13.8
95.08598	30.4
97.06532	11.5
97.10167	5.0
98.20850	1.4
99.08084	13.0
100.65462	1.1
101.06037	1.5
103.05431	1.5
105.06370	2.0
105.07021	22.1
107.04942	5.4
107.08588	36.9
109.06509	6.8
109.10151	14.9
111.08076	11.3
113.09650	2.8
117.07008	5.4
119.08574	17.0
121.06515	3.6
121.10130	26.6
123.08043	4.6
123.11685	5.0
125.09608	2.3
127.11206	1.4
128.06303	1.1
129.06967	3.0
131.08549	6.4
133.06438	1.0
133.10135	17.5
135.08031	3.2
135.11685	25.1
137.09599	3.2
137.13228	2.0
139.11188	1.3
141.12720	3.4
143.08543	4.3
145.10123	9.2
147.08041	1.2
147.11674	14.5
149.02347	1.5
149.09592	3.3
149.13257	16.4
151.11166	10.1
153.12749	1.7
157.10141	4.6
159.11722	5.9
161.09642	2.9
161.13252	10.2
163.11171	13.8
163.14810	6.1
165.12749	8.6
167.10635	1.3
167.14330	1.7
169.12199	1.7
171.11632	5.2
173.13222	2.4
175.11195	3.2
175.14812	4.6
177.12733	1.5
179.14334	5.5
185.13278	5.0
185.52716	1.0
189.12744	3.1
193.12201	2.2
193.15936	1.1
195.13885	1.6
199.14806	3.3
203.14354	2.2
207.13821	3.3
213.07942	3.6
217.19403	2.3
221.15321	4.1
231.09084	5.4
231.15846	1.7
231.21030	2.9
235.16907	2.3
241.19502	6.1
249.22186	3.1
259.15149	1.3
259.20557	13.7
277.21603	100.0
278.21732	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03928	4.0
55.01862	1.9
55.05264	1.4
55.05507	20.2
56.66916	1.2
57.03425	1.9
57.07051	2.9
59.53870	1.1
64.32507	1.2
65.03910	1.6
67.05499	42.7
69.03413	2.4
69.07056	16.3
69.88042	5.8
71.04976	4.6
79.05488	55.9
81.07053	45.9
83.04955	3.6
83.08598	10.1
85.06522	4.3
91.04958	2.2
91.05476	22.7
93.07036	82.6
94.38422	1.3
95.04986	8.4
95.08598	38.6
97.06507	6.5
97.10142	3.9
105.07022	16.8
107.08585	45.8
109.06491	5.2
109.10141	15.9
111.08060	2.5
117.07010	3.7
119.08568	17.5
121.06519	1.6
121.09310	2.6
121.10138	38.5
123.08081	1.9
123.11700	5.2
125.09612	1.9
129.06995	3.2
131.08565	6.4
133.10117	13.5
135.08054	2.0
135.11687	36.8
137.09608	2.7
138.21907	1.4
143.08549	2.2
145.10081	3.6
147.11664	10.2
149.09621	1.7
149.13257	26.3
151.11163	2.5
157.10130	2.0
159.11693	5.1
161.13237	6.6
163.11192	3.5
163.14774	4.4
165.12703	2.4
171.11679	3.3
172.16977	1.5
173.13274	2.8
175.14769	2.2
177.12924	1.4
181.12320	1.4
185.13252	2.9
189.12756	1.6
195.13797	1.8
199.14806	1.8
207.13702	1.7
212.53362	1.3
213.16467	1.8
221.15407	3.1
231.21051	1.6
235.17015	2.8
241.19472	3.8
259.20563	11.9
261.00897	1.3
269.38007	1.5
277.21609	100.0
278.21948	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	277.2159
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
52.43271	3.5
53.03940	5.2
55.01867	6.1
55.05508	24.3
57.06823	4.2
57.07076	39.2
63.61375	3.8
67.05502	53.5
69.07066	25.0
69.17484	3.6
71.04962	3.9
71.59948	6.0
75.03952	3.6
75.97521	4.2
79.05489	75.8
81.07054	55.5
83.08590	10.9
85.06533	5.7
88.86208	3.4
91.05477	32.8
93.06460	7.7
93.07040	100.0
95.04952	16.6
95.08601	41.6
95.66856	4.9
97.06512	3.9
97.10152	8.8
104.74651	3.8
105.07019	25.0
107.08598	47.3
109.06496	6.1
109.10119	21.2
117.06973	5.0
119.08573	15.7
119.40249	3.6
121.10133	54.4
123.04393	4.5
123.11682	6.9
129.07018	7.0
131.08559	6.3
133.10103	12.5
135.11693	53.1
145.10072	5.1
147.11649	12.4
149.13258	27.3
159.11714	6.3
161.13205	5.0
163.11032	6.5
163.14796	9.7
173.13219	4.0
175.14665	4.7
179.10666	16.0
195.13786	4.2
222.50806	3.7
235.16928	66.6
250.20033	3.8
255.10869	3.9
259.20514	9.6
277.17981	48.0
277.21600	94.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03943	4.9
55.01880	5.6
55.05511	24.8
57.03423	3.3
57.07057	3.4
65.03924	3.4
67.05505	50.1
69.03435	1.9
69.07067	25.0
69.51215	8.8
71.04982	6.0
71.08633	1.7
75.95104	1.0
77.03920	1.9
79.05493	66.8
80.05801	1.4
81.03405	2.7
81.07058	56.6
83.04974	3.6
83.08154	1.1
83.08620	15.5
85.06519	3.5
91.05479	33.2
93.07042	100.0
95.04971	10.4
95.08605	44.3
97.06538	6.6
97.10162	5.2
99.08070	2.0
105.04543	2.5
105.07021	22.9
107.04939	2.1
107.08593	52.5
109.06513	5.8
109.09454	1.8
109.10148	18.7
111.08073	3.3
113.09669	1.3
117.07006	5.1
119.07784	1.9
119.08579	19.4
121.06498	1.4
121.10143	45.8
123.08057	4.0
123.11700	4.4
125.09641	2.9
129.06989	2.9
131.08598	6.3
133.10124	14.3
135.08018	2.4
135.11687	48.1
136.12071	1.5
137.09612	3.5
137.13191	1.4
139.11165	1.9
143.08626	1.8
143.25488	1.0
145.10117	5.2
147.11670	12.9
149.09586	3.7
149.13258	22.6
151.11150	2.9
157.10168	2.4
159.11720	4.7
161.09602	1.3
161.13272	7.8
162.49532	1.0
163.11186	2.7
163.14821	6.5
165.12730	2.8
171.11673	3.7
172.37839	1.0
173.13240	3.9
175.11211	1.2
175.14827	3.6
177.12784	2.5
177.16541	1.1
181.12201	2.2
185.13240	3.4
187.14810	1.0
189.12703	2.3
193.12326	1.3
195.13750	1.8
199.14687	1.1
201.01802	1.0
207.13797	2.6
213.16455	1.4
221.15424	4.1
231.17432	1.3
235.16922	5.0
241.19452	5.2
249.22133	1.4
258.30090	1.0
259.20541	10.9
277.21625	97.2
278.22116	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	277.216
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
55.05507	29.1
57.07075	7.0
60.66140	3.6
62.75379	3.3
62.82332	3.7
67.05499	43.3
69.07063	19.2
71.04994	7.3
79.05494	77.1
81.07058	42.5
83.04958	4.0
83.08611	7.4
85.84944	3.7
91.05479	46.2
93.07040	100.0
95.04966	8.3
95.08607	28.7
97.06528	4.8
97.10131	4.7
98.21531	10.2
105.07034	40.8
107.08586	44.0
109.10137	7.8
117.07015	11.1
119.08578	31.5
121.10152	36.0
121.95907	3.7
131.08580	14.7
133.10143	25.8
135.10605	3.2
135.11644	20.4
143.08569	5.0
145.10123	6.8
145.99393	3.6
147.11670	28.7
149.13251	14.5
150.72578	4.5
161.09647	6.9
161.13257	14.4
163.14816	14.5
171.11696	4.5
175.11183	9.0
175.14853	11.1
177.16357	6.3
178.35582	4.3
181.41516	3.9
189.12807	10.8
193.12222	8.9
207.13878	13.4
217.19501	5.2
221.15405	13.0
230.17723	5.4
241.19533	7.7
259.20673	5.1
277.21637	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
52.89900	2.9
53.03943	5.2
55.01865	4.6
55.05508	23.8
56.96563	3.7
57.07068	10.9
65.03951	3.0
66.11327	2.4
67.05500	46.9
69.07075	20.1
69.78130	15.8
71.04998	5.2
71.08619	7.8
79.05492	71.5
81.07050	57.3
83.04999	2.7
83.08614	10.3
91.05477	41.5
93.07046	91.2
95.04984	14.6
95.08606	38.1
97.06547	6.2
97.10181	5.3
99.08092	4.4
105.07038	35.2
107.08596	48.8
109.06512	5.9
109.10152	11.4
109.97849	2.4
111.08105	4.7
117.07050	7.0
119.08585	31.1
121.06461	4.6
121.10136	44.8
123.11728	7.3
129.06996	5.1
131.08577	11.1
133.06511	3.0
133.10133	22.3
135.08096	5.5
135.11694	27.9
137.09720	3.4
143.08646	3.1
145.10141	10.5
147.08044	5.3
147.11684	22.4
149.09676	4.2
149.13263	15.8
153.09178	3.0
157.10168	3.6
159.11697	2.9
161.09604	4.2
161.13327	13.0
163.11223	4.0
163.14865	9.7
171.11711	8.1
175.11205	4.5
175.14845	8.2
177.16484	3.5
179.10672	4.1
185.13419	5.3
188.21828	2.5
189.12735	4.8
191.61067	2.5
193.12297	5.1
195.13847	3.8
207.13791	11.0
211.34547	2.4
217.19600	7.7
221.15279	7.5
235.17049	11.6
241.19557	10.0
259.20615	11.0
277.18283	3.3
277.21628	100.0
277.28046	12.3
281.95148	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	277.2163
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03931	6.4
55.01864	2.8
55.05511	21.0
57.03436	5.3
57.07073	10.7
57.31741	2.0
61.03640	1.8
67.05504	50.7
69.07070	17.1
69.61135	8.0
69.61562	5.6
71.04969	2.5
71.08632	9.1
79.05495	70.1
81.03404	2.1
81.07060	50.3
83.04969	5.3
83.08625	9.9
85.06548	3.1
91.05479	33.9
93.07044	100.0
95.04961	11.1
95.08607	40.2
97.06518	3.8
97.10163	6.0
98.20788	3.3
99.08084	7.2
105.07029	25.9
107.08596	52.9
109.06507	8.0
109.10162	16.6
116.23391	1.7
117.06979	5.1
119.08577	14.8
121.09320	3.1
121.10144	46.6
123.08054	2.6
123.11668	3.0
125.09595	2.6
129.06981	2.5
131.08536	6.6
133.10120	11.8
134.64012	1.8
135.07997	2.7
135.10690	3.1
135.11694	54.1
135.12712	3.7
137.09586	3.4
143.08450	2.6
145.10165	5.1
147.11717	10.8
149.09569	1.9
149.13243	22.3
151.11148	8.2
157.10158	2.8
159.11642	4.3
161.13246	8.1
163.11168	3.8
163.14816	6.0
167.10661	2.4
171.11685	3.5
177.12822	2.9
179.10648	4.5
179.14302	9.1
187.14815	4.8
193.15904	1.8
195.13753	3.0
199.14769	2.2
207.13730	2.1
217.19615	2.0
221.15321	5.1
222.51770	2.1
235.16907	19.9
241.19492	6.6
259.20517	11.5
277.06903	3.8
277.18066	13.4
277.21597	87.0
278.08182	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	277.2161
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
52.76802	1.6
53.03926	5.3
55.01872	60.6
55.05510	41.8
57.03440	2.4
57.07067	5.8
65.03954	2.2
67.05505	54.1
69.07069	21.9
70.88468	3.6
71.04977	2.9
71.08630	6.7
75.77356	1.8
79.05491	51.4
81.03413	3.4
81.06580	3.5
81.07056	57.7
83.04977	9.8
83.08619	25.9
85.06553	4.0
85.10162	3.9
88.79999	1.7
91.05484	43.0
92.81841	1.6
93.07040	62.1
95.04953	16.3
95.08612	37.7
95.64640	1.9
96.13684	1.8
97.06525	11.6
97.10186	4.3
99.08084	7.5
105.06375	3.2
105.07024	30.5
107.04957	6.3
107.08586	33.8
109.06511	12.1
109.10149	17.6
110.60878	1.7
111.08081	63.0
113.09654	4.5
117.07015	3.8
119.08575	20.0
121.06532	3.1
121.10147	23.4
123.08064	6.3
123.11698	7.2
123.69807	1.9
129.06995	5.4
131.08571	5.3
133.10141	27.8
135.11682	20.9
137.09618	6.0
137.13200	3.9
139.11197	2.5
141.09155	2.2
143.08455	3.0
145.10112	6.6
147.08066	2.7
147.11662	14.6
149.09621	6.6
149.13248	14.6
151.11140	11.4
153.12683	3.9
157.10127	3.8
159.11679	3.8
161.09645	2.7
161.13257	11.0
163.11247	4.5
163.14822	4.9
165.12794	15.7
167.14319	2.9
171.11739	6.1
173.13202	2.8
175.11292	3.4
175.14838	7.0
179.14279	5.8
185.13274	2.0
189.12772	3.2
193.12273	3.1
199.14775	2.5
203.14400	2.2
207.13869	4.8
221.15375	2.3
231.21112	5.9
241.19530	5.3
241.92523	2.0
249.22171	8.1
259.20569	8.3
265.24243	1.6
277.21625	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
50.96228	0.9
53.03946	4.2
55.05265	1.4
55.05510	17.2
57.07069	3.1
65.03929	1.9
67.05506	31.3
69.03447	0.9
69.07073	14.2
69.84450	5.5
71.05001	1.7
77.03878	1.1
79.05496	74.2
81.07061	35.5
83.04987	2.0
83.08617	7.3
85.06594	1.3
91.05482	26.5
93.07046	100.0
94.07336	1.1
95.04966	7.9
95.08611	23.4
97.06508	2.0
97.10152	4.4
98.21520	1.1
104.54044	1.1
105.04506	1.8
105.07030	13.2
107.08597	54.4
109.06541	2.8
109.10152	10.2
117.07030	3.5
119.08594	10.4
121.10146	44.4
123.08049	2.0
123.11696	3.1
127.07540	1.1
129.07034	2.1
131.08577	3.7
133.10136	11.7
135.11694	52.7
137.13219	1.5
143.08545	1.5
143.88780	0.9
145.10138	2.8
147.11723	8.1
149.09622	2.5
149.13264	23.8
159.11717	3.8
161.13245	3.8
163.11203	2.8
163.14857	5.6
169.06119	1.1
171.11723	1.8
173.13252	1.7
175.14883	1.7
177.12723	1.5
181.12227	1.5
185.13231	1.3
193.12285	1.5
195.13846	2.1
207.13788	1.2
221.15366	2.8
235.13898	0.9
235.16890	4.7
235.19029	1.0
241.19510	1.5
259.20584	4.4
277.21631	54.4
291.67462	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2158
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03932	3.5
55.01869	1.7
55.05508	16.6
57.07053	2.5
61.94994	1.3
67.05167	2.4
67.05499	29.3
69.07064	14.6
69.33910	1.4
69.34515	11.1
69.34746	2.1
71.04980	1.6
79.05488	72.0
81.07050	37.5
83.04957	1.7
83.08601	7.1
84.86977	1.5
91.04935	1.0
91.05471	24.0
93.07034	100.0
95.04964	8.7
95.08601	24.3
97.06538	1.6
97.10165	4.5
98.20741	2.5
105.07024	15.6
107.08587	48.6
109.06490	2.0
109.10164	10.7
110.43584	1.2
117.07005	2.8
119.08567	9.3
120.97002	1.4
121.06457	1.6
121.10130	50.2
123.11716	2.6
125.09664	1.6
129.07021	2.2
131.08539	4.1
133.10110	13.0
135.11678	52.2
139.11252	1.5
143.08551	2.9
145.10074	2.5
147.11673	7.0
148.88173	1.2
149.13268	25.6
159.11684	3.6
161.13246	4.2
163.11203	1.6
163.14803	5.3
167.10640	2.0
171.11705	1.9
173.13222	1.6
175.11278	1.4
175.14774	2.3
177.12781	2.0
185.13278	2.5
189.12680	1.5
195.13780	2.3
207.13803	1.5
213.16389	1.3
221.15413	3.0
235.17006	4.1
259.20648	4.2
277.21619	61.2
280.19635	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
50.13769	2.4
53.03946	5.4
55.01874	55.5
55.05267	2.9
55.05511	41.5
57.03421	2.1
57.07066	9.3
58.54861	2.2
61.80026	2.0
67.05175	4.2
67.05505	51.7
69.07069	23.9
70.09076	9.5
71.04960	4.9
71.08620	6.8
79.05489	50.1
81.07049	61.4
83.04971	10.1
83.08615	19.7
85.06556	2.9
85.10177	3.6
91.05475	36.8
93.07044	63.9
95.04964	16.3
95.08611	44.2
95.30508	2.0
97.06522	13.7
97.10159	5.3
99.08086	7.0
105.07037	27.7
107.08601	36.0
109.06510	9.2
109.10162	17.2
111.08082	61.4
113.09609	3.6
117.07005	4.3
119.08570	19.5
121.06502	2.9
121.10149	21.4
123.08054	6.5
123.11720	5.1
129.07018	4.6
131.08560	6.4
133.10139	29.1
135.08063	2.9
135.11703	27.2
139.11131	2.8
143.08533	2.8
145.10133	3.6
147.11674	14.6
149.09587	5.9
149.13266	17.7
151.11169	11.0
153.12766	5.0
159.11661	6.2
161.13242	12.7
163.11237	3.3
163.14851	3.4
165.12772	12.3
171.11671	6.1
173.13173	2.4
175.11147	3.6
175.14833	7.3
179.14238	7.4
185.13202	3.2
193.12283	4.0
199.14761	2.6
205.95358	2.7
207.13802	7.3
218.66884	2.1
221.15395	2.8
231.21013	6.0
235.16895	5.1
237.50838	3.0
241.19530	5.7
249.22174	8.9
259.20581	9.7
277.21616	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2159
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03933	5.2
55.05506	23.4
57.03418	6.7
57.07076	1.7
65.03927	1.5
67.05499	38.5
69.07063	17.1
69.54919	12.0
71.05006	2.2
71.37562	1.4
79.05484	70.3
81.07051	45.2
83.04982	3.0
83.08599	10.6
85.06507	2.6
91.04959	2.3
91.05476	30.1
93.07034	100.0
95.04969	7.6
95.08040	2.7
95.08596	35.5
97.06505	3.7
97.10149	6.0
97.50364	1.6
105.07032	18.4
106.96326	1.6
107.08585	54.6
109.06510	5.5
109.10143	13.8
117.07000	5.1
119.08565	17.2
121.09302	3.0
121.10139	47.9
123.08031	3.2
123.11701	4.9
125.09583	2.9
129.06985	2.6
131.08559	6.7
133.10115	13.9
135.11682	50.4
137.09584	3.4
143.08556	3.1
145.10123	5.9
147.11638	10.5
149.09612	2.0
149.13248	26.6
151.11157	1.7
157.10107	2.1
159.11676	4.5
159.13240	1.3
161.13232	7.8
163.11197	3.2
163.14795	5.2
171.11623	2.2
173.13245	3.3
175.14713	2.0
183.49084	1.7
187.14850	6.9
189.12737	1.9
195.13805	2.0
205.15869	6.2
207.13744	2.3
220.24352	1.4
221.15346	3.7
235.16924	4.1
241.19537	3.9
259.20557	8.0
277.21603	76.9
278.21762	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03949	4.3
55.05514	15.2
57.07056	2.4
60.96413	1.8
62.03274	1.8
67.05177	2.5
67.05505	36.2
69.07068	15.8
69.48185	13.9
71.04974	2.0
71.08643	2.3
76.46574	1.7
77.03948	2.1
77.42135	1.9
79.05495	74.9
81.07052	41.8
83.04990	2.5
83.08608	5.8
91.05479	29.6
93.07037	100.0
94.03670	2.1
95.04954	6.8
95.08598	26.3
97.06536	3.2
97.10151	3.6
99.08071	2.7
105.04514	2.0
105.07030	15.7
107.08591	52.7
109.06486	3.0
109.10164	16.4
117.07001	2.5
119.08605	10.6
121.10134	45.5
123.08059	2.0
123.11715	5.5
129.07036	2.5
131.08601	4.8
133.10133	10.8
135.11694	58.3
140.25665	2.2
145.10143	5.0
147.11717	8.8
149.13263	22.9
154.96707	2.0
159.11728	2.9
161.13274	3.0
163.14824	8.6
171.11684	2.3
173.13283	2.7
176.37872	1.7
202.27951	2.2
204.60155	2.4
207.13773	2.5
213.16272	2.7
221.15326	4.2
235.16861	2.3
259.20682	3.6
277.21631	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	277.2161
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
53.03927	4.5
55.01861	2.1
55.05506	15.3
57.07050	3.4
65.03938	1.4
67.05502	36.4
69.06712	1.7
69.07059	18.4
69.72037	7.8
71.08619	1.5
79.05489	68.6
81.03418	1.6
81.07051	37.8
83.04972	2.3
83.08626	6.5
85.06528	2.1
91.05476	26.8
93.07037	100.0
95.04962	9.8
95.08594	25.9
97.06503	1.9
97.10147	3.7
105.07029	14.4
107.04903	1.3
107.08593	48.5
108.08957	1.5
109.06503	2.5
109.10153	14.5
111.08074	2.1
117.06985	2.8
119.08569	12.8
121.06499	1.8
121.10142	45.0
123.11673	2.7
125.09676	1.3
127.07563	1.3
129.06973	1.6
131.08539	5.1
133.10126	13.0
135.11685	46.4
137.09602	1.5
143.08517	1.9
145.10104	3.5
147.11659	8.8
149.09676	2.4
149.13235	19.8
151.11229	2.4
157.10100	1.9
159.11703	4.1
161.13260	5.7
163.11276	2.2
163.14786	6.3
171.11682	2.5
173.13159	2.2
175.14742	1.8
177.12648	1.6
179.14276	1.2
185.13274	2.7
189.12645	1.8
195.13731	1.5
195.38843	1.3
199.14922	1.9
207.13602	1.4
213.16289	1.4
217.19762	1.3
221.15408	2.4
235.16803	6.2
241.19495	3.3
259.20523	4.1
277.21613	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
53.03932	5.0
55.01862	3.9
55.05267	1.1
55.05509	18.0
57.07059	6.8
65.03927	1.9
67.05177	1.8
67.05502	31.9
69.06711	1.8
69.07063	16.7
69.29790	12.4
71.04971	2.4
71.08632	6.4
77.03909	1.4
79.05488	75.0
81.07054	40.4
83.04940	3.5
83.08630	8.1
84.89809	1.2
85.06514	2.8
91.05478	34.5
93.07038	100.0
95.04977	9.5
95.08607	25.8
97.06526	3.3
97.10150	3.5
99.08070	2.5
105.04485	3.6
105.07026	22.3
107.08588	45.2
109.06500	2.6
109.10179	6.8
111.08057	4.7
117.07024	4.9
117.22147	1.1
119.08592	14.1
121.06523	1.2
121.10139	24.5
123.08098	1.8
123.11667	2.7
125.77322	1.1
127.54377	1.3
129.06976	5.4
131.08578	5.5
133.10139	11.2
135.08069	2.2
135.11682	26.4
137.13217	1.9
143.08563	5.6
145.10115	4.8
147.08086	1.3
147.11687	14.9
149.09579	1.8
149.13252	18.7
151.11140	2.5
151.14813	1.2
157.10133	3.8
161.09633	2.8
161.13261	12.5
163.11209	1.5
163.14839	8.8
169.10667	1.2
171.11652	5.2
173.13251	3.1
175.11282	1.7
175.14810	3.4
179.10666	2.7
185.13306	7.3
189.12744	3.5
193.12128	1.7
199.14781	2.8
207.13849	6.0
217.19475	1.3
221.15395	7.6
235.16949	9.0
241.19495	4.8
259.20554	5.1
277.18216	4.9
277.21609	70.9
294.36679	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
50.33101	1.3
53.03934	4.9
55.01864	13.7
55.05507	24.2
57.07078	10.3
61.34636	1.5
65.03940	1.4
67.05500	39.4
68.23798	1.3
69.03418	1.9
69.07058	23.5
69.64153	10.6
71.04984	3.9
71.08640	8.1
77.03880	1.6
79.05488	55.0
81.03418	4.4
81.07050	52.5
83.04974	5.0
83.08611	10.0
85.02858	2.0
85.06533	5.4
91.05468	34.9
93.07039	76.9
95.04951	12.8
95.08596	31.9
97.06516	6.2
97.10142	3.5
98.21574	1.7
99.08072	4.9
105.07014	23.6
107.04922	2.9
107.08586	42.5
109.06520	7.3
109.10144	10.2
111.08080	10.2
117.07004	6.0
119.08575	20.5
121.06418	2.3
121.10136	28.9
123.08063	5.8
123.11694	5.3
125.09631	2.6
129.06976	4.4
131.08575	8.3
133.10127	15.3
135.11684	20.3
137.09581	3.3
137.13203	2.3
141.12758	2.7
143.08524	3.4
145.10126	4.4
147.07950	2.3
147.11646	15.2
149.13228	15.2
151.11180	5.2
151.14848	2.4
156.88147	1.6
157.10162	4.5
159.11603	4.8
161.09628	3.7
161.13219	9.5
163.11154	7.3
163.14795	7.0
165.12708	2.7
171.11688	4.7
173.13242	2.1
175.11272	3.6
175.14825	5.8
177.12851	2.0
179.10718	2.6
179.14284	3.4
183.11636	1.5
185.13219	3.7
189.12744	3.1
189.68355	1.4
191.30057	1.7
193.12292	3.3
199.14725	1.9
207.13847	3.0
217.19539	3.5
221.15385	4.1
231.21100	3.2
235.16904	5.9
241.19615	3.2
249.17143	5.2
249.22137	3.6
259.20535	9.9
277.18375	3.6
277.21609	100.0
278.10565	5.0
293.44376	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
53.03934	5.7
55.01861	5.2
55.05268	1.5
55.05515	20.7
56.05839	1.4
56.96572	3.0
57.03431	2.0
57.07092	6.2
65.03951	1.7
67.05506	44.2
68.05839	1.8
69.03433	1.1
69.07069	18.8
69.95139	5.7
70.78608	1.2
71.04980	2.9
71.08624	3.6
77.03957	1.4
79.05495	66.5
81.03442	1.2
81.07057	53.7
82.07382	2.1
83.04980	3.4
83.08619	9.1
84.08141	1.6
85.06533	3.7
88.25021	1.4
91.05481	36.0
92.05790	2.6
93.07046	100.0
94.07386	1.4
95.04950	9.8
95.08607	39.1
97.06526	4.1
97.10168	3.5
98.20840	1.9
99.08095	2.6
105.04527	1.4
105.07035	24.2
106.07359	1.2
107.04980	2.1
107.08597	59.1
109.06516	4.9
109.10164	12.9
111.08074	2.2
117.07018	7.4
119.08585	19.5
120.08932	1.8
121.06506	2.8
121.10146	52.1
123.08095	2.4
123.11692	4.5
129.06987	3.4
131.08566	6.9
133.10117	15.1
133.14351	1.1
135.08063	2.9
135.10690	2.6
135.11694	42.7
137.05949	4.8
137.09624	2.9
137.13248	1.7
141.12735	2.0
143.08578	3.4
145.10138	7.7
146.10518	1.3
147.11703	11.0
149.01247	2.0
149.02344	2.7
149.09624	3.9
149.12196	2.0
149.13277	24.7
151.11226	2.4
156.03572	2.6
157.10109	2.3
159.11708	4.7
161.09705	2.1
161.13280	5.4
163.11200	4.4
163.14835	7.4
165.12671	1.3
167.02357	1.4
171.11700	3.5
173.13240	2.8
175.11131	2.1
175.14806	3.1
177.12686	2.3
177.16481	1.9
179.14345	2.1
181.12244	2.7
185.13237	5.3
189.12874	2.0
195.13789	2.7
197.18718	1.2
199.14877	1.8
203.14391	1.9
207.13828	2.4
208.74132	1.1
209.15268	1.5
213.16338	1.3
217.19492	2.0
221.15369	5.7
235.16933	9.8
241.19586	3.3
255.37485	1.2
259.20544	7.3
277.07028	1.7
277.18027	14.9
277.21561	86.0
278.21976	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
55.01871	16.4
55.05264	1.7
55.05511	16.1
56.96568	6.7
57.03434	1.7
57.07074	7.3
58.07400	2.3
58.51188	0.9
67.05503	28.3
68.05830	0.9
69.07069	13.7
70.06607	2.2
71.04983	2.5
71.08633	5.0
71.59216	1.4
79.05490	37.9
80.05838	0.9
81.03421	1.6
81.07059	66.8
82.07402	1.3
83.04980	4.5
83.08617	7.1
85.06544	3.0
85.10126	1.1
88.07612	2.2
89.07946	1.9
90.08056	1.3
91.04904	1.3
91.05480	25.4
92.05804	1.9
93.07042	44.9
94.07349	1.3
95.04974	7.6
95.08604	22.4
97.06532	4.1
97.10163	2.4
98.97604	1.9
99.08094	3.1
105.07027	16.9
106.07333	2.2
107.04962	2.7
107.08588	24.3
108.08946	1.3
109.06512	17.5
109.10139	8.5
111.04437	13.7
111.08076	6.9
116.98592	1.9
117.07010	3.9
119.08584	15.5
121.06499	2.5
121.10143	17.8
123.08062	3.4
123.11698	3.2
125.06011	5.1
125.14069	1.0
129.06996	3.1
130.10924	0.9
131.08569	5.7
133.06516	1.3
133.10127	13.0
134.10385	1.6
135.08051	3.7
135.10712	1.8
135.11694	18.0
137.05977	100.0
137.09669	2.9
137.13245	3.3
138.06317	1.8
139.11198	1.4
143.08543	3.1
145.09172	0.9
145.10129	5.6
147.08066	3.1
147.11690	11.8
148.12003	1.3
149.01233	1.7
149.09645	3.8
149.13246	9.3
151.07555	2.6
151.11191	3.7
157.10132	3.1
159.11694	2.9
161.09647	5.6
161.13287	6.1
163.11212	5.1
163.14828	3.8
165.09079	1.9
165.12779	3.6
171.11693	2.0
173.13300	1.5
175.11212	3.2
175.14885	2.3
179.10699	2.3
179.14346	1.4
181.12250	1.3
185.13272	2.8
189.12798	1.5
189.16493	1.4
193.12247	1.9
199.41962	0.9
203.17957	4.5
207.13861	1.7
213.16377	3.5
217.19627	1.5
221.15335	2.0
221.18956	1.3
223.14964	1.2
231.17383	5.5
235.16977	4.8
241.15895	1.1
241.19434	2.2
248.14366	2.0
249.18544	1.8
257.14682	2.1
259.20615	5.9
259.27332	1.5
277.15430	1.2
277.17966	5.1
277.21506	36.1
277.28299	30.4
278.21997	1.5
295.12125	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	277.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93485	0.2
56.96551	0.4
57.07063	0.2
62.86747	0.2
65.03918	0.6
65.46642	0.2
70.06550	0.3
70.71921	0.6
74.92429	0.2
79.05462	0.3
83.32745	0.2
84.08128	0.3
85.02924	0.3
85.07654	2.6
90.94808	0.4
91.05470	8.4
93.07025	0.3
97.02861	0.2
98.97569	0.3
116.98616	0.3
119.04928	23.1
119.92216	0.2
131.08154	7.4
132.95801	0.3
136.07634	0.3
143.47281	0.2
147.04391	100.0
148.04726	1.3
150.96944	0.3
158.97371	0.3
162.96907	0.3
165.00711	0.5
179.10640	0.2
216.97934	0.2
234.98947	0.6
235.16861	0.6
277.00055	0.5
277.08826	0.4
277.11798	5.5
277.18042	0.8
277.21188	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74738	0.9
56.96553	2.2
57.07060	1.4
58.99884	1.2
64.47601	1.0
65.84833	1.1
70.44779	3.5
77.00935	1.1
82.99811	1.5
84.04469	1.2
84.08138	9.9
85.02910	1.6
91.05514	1.1
94.31057	0.9
97.02879	2.4
98.97566	1.4
101.00865	20.1
113.00869	4.1
114.00766	0.9
115.02425	2.4
119.01907	79.6
119.04842	1.4
121.01647	2.1
121.03488	1.3
127.02401	2.5
130.08633	1.5
131.01888	33.2
133.03453	7.9
137.02933	18.5
140.10632	1.1
142.03537	1.0
143.01881	22.6
145.03450	19.4
145.90544	0.9
147.04346	5.6
149.02971	8.7
151.04465	2.9
155.01872	22.0
157.03438	12.2
159.03145	0.9
159.05013	2.4
160.02158	1.1
161.02937	100.0
162.03084	2.3
163.04517	4.8
167.01857	1.4
169.03435	1.5
173.02942	53.2
175.04507	11.8
177.02414	0.9
179.03999	5.2
184.04500	2.2
185.02931	20.8
187.04486	14.0
189.02425	1.1
189.06061	2.6
191.03920	10.2
196.04510	1.3
197.02908	6.8
199.04419	1.2
201.06178	1.1
203.03989	11.2
205.05560	8.6
213.12276	1.2
217.01941	2.4
217.05574	3.9
221.05038	3.8
233.05034	1.4
235.02721	1.3
235.06506	4.9
235.16957	1.6
245.05049	7.9
253.07668	3.8
263.06091	3.4
277.07935	80.5
277.17670	2.1
278.07919	1.4
295.08670	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	277.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24024	0.4
55.05488	0.6
57.07062	0.7
57.85413	0.4
64.14057	0.4
70.06612	0.5
70.40582	1.6
70.95840	0.4
77.00932	0.6
78.24618	0.4
79.05487	0.5
81.03429	0.5
82.99879	0.6
84.04501	1.0
84.08136	17.7
85.02925	0.7
86.06087	0.5
90.32973	0.5
90.94855	0.7
91.05493	1.6
93.07053	1.0
95.08614	0.5
97.02970	0.6
101.00874	3.9
103.02460	1.1
107.04964	0.8
113.00892	1.0
114.05552	0.6
119.01912	17.6
119.04934	2.4
121.01662	1.0
121.03506	0.8
127.02417	0.5
130.05093	0.5
130.08627	3.7
131.01895	6.5
131.08221	1.6
132.95866	0.8
133.03445	3.5
137.02939	4.3
139.01773	0.5
139.02711	0.6
143.01869	4.9
145.03470	5.5
147.04387	10.8
148.06087	0.6
149.02988	2.0
150.96899	1.0
151.04573	2.0
155.01865	5.5
157.03458	2.5
158.27974	0.4
158.97440	0.5
159.05051	0.5
159.37682	0.5
160.02133	0.7
161.02951	20.8
163.04604	0.7
167.01921	0.6
169.03461	0.6
173.02954	13.6
175.04555	4.2
177.02429	0.5
179.04080	1.1
184.04495	0.7
185.02934	4.6
186.96964	0.9
187.04530	2.9
189.06358	0.6
189.74841	0.5
191.04004	2.7
195.11455	0.5
197.02914	1.1
198.96939	0.5
199.04544	0.8
201.06108	1.0
203.03940	2.9
205.05592	2.5
211.04594	0.5
213.12337	2.6
215.04108	0.5
216.98119	0.6
217.05669	1.3
231.01085	0.8
234.99011	1.0
235.17047	1.9
245.05205	1.9
253.07716	0.8
259.13086	1.5
263.06134	0.5
268.28906	0.5
277.09018	100.0
277.18143	2.0
278.09152	0.9
291.49072	0.5
295.08954	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99884	1.6
61.02941	0.7
69.03450	1.4
71.58754	1.2
77.00925	1.0
77.64582	0.6
78.20743	0.6
81.03443	1.0
82.99903	1.8
85.02923	0.8
86.99360	1.1
90.23412	0.8
97.02911	2.2
101.00867	17.8
103.02454	1.3
105.00363	1.1
107.04947	0.8
109.02879	0.8
113.00832	4.7
115.02445	2.7
119.01908	68.2
127.02454	2.1
131.01891	29.4
133.03450	5.6
137.02936	14.5
142.01025	0.8
143.01880	23.6
145.03448	17.3
147.01352	1.3
149.02960	5.6
151.04530	1.7
155.01874	18.4
155.03105	1.3
155.39607	0.7
156.01909	0.8
157.03441	12.8
159.01344	1.0
159.05045	0.9
160.02168	1.3
161.02943	100.0
162.03079	1.3
163.04572	3.3
167.01881	2.6
169.03415	1.1
171.05067	1.4
173.02948	49.6
174.03162	0.9
175.04510	11.0
176.04616	0.9
177.02405	0.9
179.03975	4.0
184.04550	2.1
185.01297	1.4
185.02931	21.1
187.02959	0.9
187.04512	10.9
189.06068	2.5
191.04015	9.8
196.04503	1.0
197.03017	5.8
199.04607	1.6
201.06042	1.7
203.03976	13.0
205.05540	9.5
215.03993	2.7
217.05573	3.2
221.05020	3.3
227.03896	1.0
235.06679	3.8
245.05055	13.6
253.07652	5.1
263.05969	2.9
277.03409	5.6
277.07571	91.5
278.07611	3.1
295.08667	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.032
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05012	2.6
57.03431	2.0
57.07073	3.2
60.05648	5.7
61.02918	2.3
69.03413	2.3
70.06590	22.0
71.07735	4.3
72.08143	2.4
73.92486	2.4
77.00932	2.2
84.04480	7.1
84.08140	100.0
85.02885	3.5
96.37389	2.2
97.02910	2.2
101.00906	6.5
103.02431	2.7
114.09111	3.1
119.01922	27.0
120.08080	4.9
121.01669	4.2
121.03428	2.7
130.05019	3.8
130.08644	24.8
131.01877	11.8
133.01631	8.3
133.03453	5.5
137.02925	6.4
137.98703	2.2
143.01900	6.0
145.03470	13.5
149.02983	2.4
151.04504	2.5
155.01863	5.9
157.01653	8.8
157.03421	4.3
161.02922	20.8
173.02971	20.0
175.02724	20.5
175.04491	4.1
185.02881	4.5
187.02803	4.4
187.04457	3.3
189.02466	2.5
203.03912	3.3
213.12367	17.7
214.10847	2.2
217.01936	7.8
235.03085	3.7
235.16873	5.0
259.12790	5.0
265.59097	2.1
272.98083	2.3
277.03125	4.6
277.09082	19.3
277.14133	4.1
277.17950	5.2
277.21878	2.4
292.39423	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	276.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.3
55.05509	1.9
56.21813	0.3
56.96568	0.4
57.03444	0.6
57.07071	0.9
59.05002	3.6
66.95629	0.3
67.05496	1.1
69.80823	1.2
69.81231	0.5
70.06585	2.5
71.08608	0.3
73.06544	0.7
79.05479	1.2
81.07043	1.1
82.34793	0.3
83.08631	0.3
87.04469	1.2
88.07632	2.8
91.05480	1.3
92.05805	0.7
93.07050	0.9
94.07339	0.5
95.08595	0.6
97.06553	0.6
102.09164	1.7
105.07011	1.0
106.07324	0.6
107.04936	0.8
107.08606	0.5
116.98557	0.3
118.06533	19.2
119.07343	0.6
119.08541	0.9
120.08094	0.5
120.08887	0.6
121.10121	0.4
127.03938	0.3
131.08522	0.4
132.08076	3.5
133.08850	1.2
133.10060	0.3
134.09615	0.9
134.10510	0.6
135.11703	0.3
146.09612	4.8
147.10306	0.3
147.11661	0.2
148.11105	0.3
148.12151	0.3
159.11765	0.3
160.11192	0.5
163.03931	0.4
174.12680	0.3
176.14334	75.2
177.14656	1.4
191.82024	0.3
214.21640	6.0
216.13762	0.4
216.17436	0.4
218.11737	0.9
246.14920	0.4
258.24161	0.6
259.09476	0.3
276.19565	100.0
276.25168	10.6
277.19794	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	277.0318
Annotation	Unknow
Peak:m/z	Relative Intensity
64.58421	2.3
70.26027	9.6
70.26379	4.6
75.76023	2.9
81.03401	2.9
86.99306	2.2
92.64301	2.4
98.20792	4.4
101.00868	25.7
113.00836	4.0
119.01907	89.9
131.01897	36.2
132.28787	2.3
133.03439	7.7
137.02957	15.1
143.01869	25.9
145.03433	19.4
149.02956	5.7
155.01828	18.9
157.03473	11.7
160.02147	2.2
161.02939	100.0
163.04549	4.2
169.03456	3.1
173.02940	46.4
175.04530	10.3
179.04036	4.0
184.04565	2.3
185.02901	22.6
187.04501	7.5
189.06003	5.0
191.04025	8.5
197.02966	6.1
199.04596	2.5
203.04053	14.0
205.05563	9.5
215.04021	2.6
221.05133	3.9
245.05074	9.4
253.07774	2.8
263.06021	2.3
277.03061	10.5
277.07584	78.5
280.98022	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	276.1957
Annotation	MGK 264
Peak:m/z	Relative Intensity
51.02378	0.3
55.01867	0.2
55.05509	1.6
56.96554	0.2
57.03416	0.5
57.07059	0.2
59.04697	0.2
59.04997	3.7
67.05488	0.5
68.54646	0.1
69.03413	0.2
69.07064	0.3
69.26451	1.1
69.26871	0.5
72.93784	0.2
73.06547	0.5
79.05488	0.8
80.05823	0.2
81.07044	0.7
83.04986	0.2
87.00006	0.5
87.04486	0.2
90.03415	0.2
91.05488	1.1
92.05808	0.5
93.07044	0.4
95.04969	0.3
95.08604	0.4
97.06543	0.4
98.99998	1.9
105.07022	1.3
106.06613	0.3
106.07350	0.6
107.04919	0.4
107.08572	0.4
108.08932	0.2
109.10164	0.2
111.00005	0.2
111.04407	0.3
117.07060	0.3
118.06533	17.9
119.07366	0.8
119.08588	0.6
120.08124	0.3
120.08923	0.5
121.06535	0.2
122.10477	0.3
125.01543	0.3
126.01068	1.2
126.99460	5.1
128.89877	0.1
129.01030	1.2
131.08542	0.3
132.08078	6.3
133.08865	3.2
133.10120	0.6
134.09630	1.1
134.10495	0.4
138.01067	0.2
138.99431	0.5
139.00560	1.1
145.00497	0.9
145.10091	0.3
146.09624	5.4
146.10736	0.3
147.10397	0.8
147.11591	0.4
148.12099	0.3
149.02390	0.2
150.96950	0.2
153.02180	0.2
154.00533	0.6
160.11195	0.6
161.11992	0.3
162.13625	0.2
163.03848	0.4
172.05046	0.2
176.14333	73.2
177.14661	1.1
180.03197	1.2
181.01631	7.3
190.15833	0.2
208.02711	10.3
216.13809	0.3
216.17355	0.2
218.11707	0.4
222.04292	0.2
232.13293	0.7
233.14067	0.3
234.14934	0.4
246.14772	0.4
258.15021	0.2
258.19217	0.1
259.09695	0.2
276.19565	100.0
277.08649	0.2
277.19922	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	276.123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
55.01857	0.6
55.05481	0.3
55.93521	1.5
56.96568	1.6
57.52995	0.3
65.13248	0.3
69.03428	0.7
70.06593	1.2
70.75671	1.2
71.93031	0.5
72.04524	0.4
72.08136	0.4
72.93784	1.4
78.84630	0.4
79.05482	1.2
80.47704	0.4
81.03410	0.6
84.04491	0.8
84.08138	1.0
85.02895	0.4
86.09702	0.7
87.85018	0.4
90.94845	1.0
95.04959	1.4
95.46138	0.4
96.08097	0.4
97.02885	0.7
98.97580	0.7
107.04947	100.0
108.05292	1.1
116.98619	1.3
120.08120	0.7
123.04409	1.5
124.07570	1.4
128.98575	0.8
131.95045	1.3
132.08112	1.1
132.95908	0.7
134.06006	16.8
134.99654	0.6
146.97444	0.5
149.96094	1.6
150.96938	0.7
152.07053	45.2
153.07373	0.5
159.09175	0.8
162.96869	0.7
169.00179	0.4
169.96548	0.6
170.08112	53.9
171.08482	0.6
186.96892	0.5
187.97641	0.9
191.97113	0.9
215.97096	0.6
219.01720	1.1
234.99016	0.8
237.02890	1.8
258.10443	0.9
264.78473	0.4
275.99103	0.5
276.12299	4.6
276.17813	0.9
276.99905	0.4
284.44611	0.4
295.03448	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1442
Annotation	Glutarylcarnitine
Peak:m/z	Relative Intensity
55.01857	3.9
55.05505	4.0
55.93522	3.8
56.05040	4.1
56.08973	2.1
56.96567	20.7
57.03429	6.1
57.07063	1.7
58.02946	3.5
58.06577	2.5
59.03724	6.4
60.04515	4.5
60.05650	1.9
61.02929	2.4
66.92578	1.9
67.05488	3.8
68.05014	7.0
68.54803	1.8
69.03125	2.3
69.03432	24.5
69.07050	10.6
70.02946	2.5
70.06579	12.0
71.04988	3.7
71.58281	2.2
72.04504	5.1
72.08160	12.1
72.93771	5.1
73.02908	6.1
74.36071	1.7
79.05489	3.0
80.05005	3.7
81.03404	15.2
81.07017	2.5
82.06565	4.2
83.04968	5.0
83.06087	4.7
84.04502	10.4
84.08141	23.8
85.02893	19.5
85.07674	2.5
86.06070	5.3
86.09702	81.5
87.03204	36.3
87.04472	4.0
88.03468	4.0
88.03983	55.4
90.94814	2.9
91.05469	3.8
93.07065	2.6
95.06091	2.7
96.04485	7.0
96.06866	8.6
96.08125	2.3
97.02886	32.5
98.06039	3.7
98.09696	15.9
98.97582	5.4
99.04446	7.6
100.03961	3.0
102.94851	2.1
107.04949	53.9
108.04543	2.6
108.05281	2.9
109.02857	2.2
109.07660	10.8
110.06032	4.7
110.07155	4.8
111.04435	2.0
112.03955	23.9
112.08680	2.2
112.11257	4.4
114.05541	3.6
116.10702	3.3
116.98589	3.8
119.01921	5.5
119.04898	3.3
122.06027	2.0
122.09618	1.8
124.08701	33.8
125.07114	3.9
126.05547	2.7
126.09134	2.6
126.10303	1.9
127.03925	18.0
128.10681	12.1
128.98604	2.3
129.10242	2.8
130.04984	2.5
131.01912	2.8
131.08192	3.3
131.95018	2.2
132.10199	32.1
132.95831	5.1
133.03511	2.1
134.06105	1.7
136.07571	2.9
138.05482	6.1
139.06117	4.9
140.10699	6.2
143.05751	15.7
144.06610	2.2
144.10164	13.5
145.04985	2.4
146.01315	2.4
146.05975	2.2
146.99623	4.4
147.04384	9.5
150.96901	4.0
152.07069	6.2
154.08539	1.9
156.06503	4.4
156.10190	2.1
158.97278	2.0
161.02940	3.9
161.06841	11.2
162.96870	2.5
164.02299	5.4
164.10724	7.3
165.00743	2.8
168.10197	6.0
170.08073	4.2
170.09268	39.7
170.11620	3.5
170.97427	2.1
173.02965	2.5
174.96820	3.3
174.99149	7.7
175.99576	2.4
177.00702	3.4
177.02304	2.2
178.02592	2.6
182.03439	2.5
182.11760	2.7
186.96744	2.8
188.98479	2.1
190.98671	2.2
193.00145	14.0
194.00519	6.7
194.11800	4.9
198.96738	2.4
210.11288	11.5
212.12779	36.6
216.12645	2.3
218.07213	2.8
219.01794	2.8
224.08044	3.0
230.13864	100.0
234.99030	5.9
248.14943	12.3
252.01210	2.4
252.99982	10.3
258.13354	81.9
264.07538	2.3
275.99115	2.3
276.07596	6.9
276.14401	82.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50718	2.4
60.04523	2.3
70.06587	6.8
70.18717	11.1
74.02430	4.1
74.65481	2.4
75.03195	3.1
79.30042	2.4
84.08139	7.9
86.09708	4.1
89.04774	6.3
104.04986	3.0
106.06535	3.1
107.04914	4.4
117.05732	2.9
118.06554	5.1
119.06059	25.7
120.04484	4.0
120.06828	5.5
120.08130	5.1
121.19705	2.4
128.03474	2.8
130.06541	17.3
131.06047	6.1
132.04416	5.3
133.07579	4.2
134.06003	5.1
143.06029	3.0
144.08015	4.0
145.05209	5.4
145.07588	4.2
146.06006	40.7
147.05521	12.7
147.06711	6.1
148.06274	4.1
148.07518	4.6
149.07043	4.1
156.06883	2.9
157.07570	21.3
158.06029	22.9
159.05515	3.6
160.03929	2.9
161.07108	7.5
162.05508	25.9
163.06273	5.1
169.07596	15.2
171.05521	10.9
172.06299	7.6
173.07085	7.1
174.05574	4.6
174.07877	3.9
175.08656	10.9
176.07010	3.1
177.06612	7.2
184.08665	4.2
185.07104	75.2
186.05495	11.1
187.05031	28.5
187.08685	4.6
189.02400	2.5
189.06601	6.2
190.05052	2.7
190.07364	11.6
191.08083	2.9
192.12982	2.6
196.08730	2.6
202.07365	3.3
202.09665	3.7
203.08167	29.7
212.08163	11.3
213.06583	42.1
214.04955	3.0
214.09941	3.1
218.06857	3.7
219.07617	4.6
220.08432	4.3
225.49648	2.9
230.09225	100.0
231.07664	7.2
236.07968	10.3
241.06129	4.8
258.08755	11.0
259.07132	18.0
276.06854	4.2
276.09753	49.3
276.12698	4.7
288.08148	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	276.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50718	2.4
60.04523	2.3
70.06587	6.8
70.18717	11.1
74.02430	4.1
74.65481	2.4
75.03195	3.1
79.30042	2.4
84.08139	7.9
86.09708	4.1
89.04774	6.3
104.04986	3.0
106.06535	3.1
107.04914	4.4
117.05732	2.9
118.06554	5.1
119.06059	25.7
120.04484	4.0
120.06828	5.5
120.08130	5.1
121.19705	2.4
128.03474	2.8
130.06541	17.3
131.06047	6.1
132.04416	5.3
133.07579	4.2
134.06003	5.1
143.06029	3.0
144.08015	4.0
145.05209	5.4
145.07588	4.2
146.06006	40.7
147.05521	12.7
147.06711	6.1
148.06274	4.1
148.07518	4.6
149.07043	4.1
156.06883	2.9
157.07570	21.3
158.06029	22.9
159.05515	3.6
160.03929	2.9
161.07108	7.5
162.05508	25.9
163.06273	5.1
169.07596	15.2
171.05521	10.9
172.06299	7.6
173.07085	7.1
174.05574	4.6
174.07877	3.9
175.08656	10.9
176.07010	3.1
177.06612	7.2
184.08665	4.2
185.07104	75.2
186.05495	11.1
187.05031	28.5
187.08685	4.6
189.02400	2.5
189.06601	6.2
190.05052	2.7
190.07364	11.6
191.08083	2.9
192.12982	2.6
196.08730	2.6
202.07365	3.3
202.09665	3.7
203.08167	29.7
212.08163	11.3
213.06583	42.1
214.04955	3.0
214.09941	3.1
218.06857	3.7
219.07617	4.6
220.08432	4.3
225.49648	2.9
230.09225	100.0
231.07664	7.2
236.07968	10.3
241.06129	4.8
258.08755	11.0
259.07132	18.0
276.06854	4.2
276.09753	49.3
276.12698	4.7
288.08148	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	275.2005
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03931	1.5
55.01867	1.6
55.05265	1.0
55.05508	12.4
57.03433	5.0
57.07064	1.0
61.02899	0.6
65.03930	1.4
67.05167	1.3
67.05499	16.3
69.03410	1.0
69.07066	10.9
70.65893	2.5
71.04987	2.1
77.89298	0.6
79.05058	1.0
79.05488	17.9
81.03417	0.9
81.07053	17.9
83.04977	1.4
83.08612	5.8
85.06532	2.2
91.05475	40.7
93.07044	15.9
95.04959	4.6
95.08598	13.4
97.06525	2.5
97.10164	2.2
98.97581	1.0
103.05480	1.0
105.07024	52.2
107.04936	2.9
107.08578	10.9
109.06509	4.0
109.10162	4.7
111.08069	1.7
113.06001	1.0
115.05390	0.9
117.07007	11.5
119.08575	36.0
121.06487	2.5
121.10135	6.8
123.08054	2.1
123.11662	1.4
129.06993	3.5
131.08559	12.2
133.06464	1.7
133.10124	26.1
135.08023	2.7
135.11690	3.6
137.09566	1.0
141.06985	1.2
143.08533	3.5
145.10114	14.4
147.08063	1.4
147.11684	26.2
149.09621	4.0
149.13278	2.2
155.08549	1.9
157.10117	3.5
159.10414	1.4
159.11674	13.7
161.09650	1.6
161.13254	9.1
163.11160	2.7
169.10124	2.7
171.11693	2.2
173.13249	5.8
175.11130	1.5
175.14816	2.1
177.12749	0.9
183.11685	2.8
185.13235	6.9
187.11125	1.5
191.14235	1.3
193.12314	0.9
197.13292	2.2
199.14838	1.0
201.12730	1.0
201.16313	2.0
203.14240	4.2
219.17366	1.6
229.19501	1.3
233.15425	0.9
237.01048	0.8
239.17838	4.2
247.20506	1.0
257.19000	9.5
269.12234	1.0
275.20047	100.0
276.20392	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03939	2.2
55.01848	3.3
55.05506	14.0
57.03415	2.7
57.07054	2.2
60.75681	1.0
65.03943	1.5
67.05501	20.8
69.03423	1.1
69.07065	11.4
69.71877	4.9
71.04966	1.4
79.05485	20.4
81.03407	1.6
81.07052	19.8
83.04977	2.6
83.08612	6.0
85.06526	1.2
89.06107	1.1
91.05473	38.2
93.07038	17.7
95.04961	5.6
95.08598	14.7
97.06500	3.8
97.10149	2.0
103.05435	1.1
105.04513	1.1
105.07027	50.6
107.04942	8.5
107.08584	15.7
109.06507	4.8
109.10160	7.1
111.08030	1.3
115.05435	1.0
116.06281	1.0
117.07008	11.6
119.08569	30.2
121.06517	4.6
121.10147	7.8
123.08065	4.3
125.09692	1.6
129.06982	3.1
131.08565	15.0
133.10121	32.3
135.08044	6.7
135.11700	4.8
137.09583	3.6
141.06847	1.1
143.08562	3.1
145.10101	12.6
147.08083	1.6
147.11670	19.3
149.07816	1.0
149.09616	8.1
149.13228	2.1
151.11118	1.2
151.46910	1.0
155.08511	2.1
157.10132	3.0
159.11696	10.7
161.09572	2.6
161.13263	7.5
163.11179	5.3
168.18571	0.9
169.10124	1.6
171.11676	2.5
171.68666	1.0
173.09398	1.1
173.13254	3.8
175.11165	1.6
175.14792	1.4
177.12732	2.9
183.11609	2.3
185.13242	1.6
187.11171	1.8
187.14745	1.7
191.14331	1.3
197.13257	2.2
201.12640	2.0
201.16475	1.5
203.14293	3.4
215.08311	0.9
215.14313	1.0
215.17955	1.4
219.17473	1.8
229.19531	2.9
235.24196	1.0
239.17920	4.1
247.20595	4.5
257.18942	9.2
275.20050	100.0
276.20450	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	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.64853	0.9
53.03925	1.1
55.01859	2.1
55.05510	13.8
55.99414	1.0
56.67892	0.9
57.03425	5.6
57.07072	2.7
67.05504	15.2
69.07073	11.4
70.06571	3.3
70.73206	2.9
71.04968	1.4
71.08624	0.9
71.32320	0.9
79.05061	1.4
79.05489	18.1
81.06573	1.4
81.07047	13.2
82.23612	0.9
83.04976	1.3
83.08607	7.0
85.06539	2.0
88.07613	3.9
91.05478	43.8
93.07037	14.6
95.04950	2.8
95.08602	10.4
97.06506	1.8
97.10154	1.0
99.08058	1.1
102.09126	1.2
103.05482	2.0
105.07027	57.8
106.07304	1.3
106.08629	1.6
107.04919	2.8
107.08569	7.4
109.06490	3.3
109.10155	3.2
111.08044	1.3
117.07015	10.9
119.08578	44.3
121.06499	1.4
121.10115	4.2
123.08041	1.7
129.07001	4.6
131.08568	16.0
133.10127	25.8
135.08098	1.5
135.11731	1.7
143.08553	2.7
145.10117	13.9
147.10506	1.4
147.11679	27.8
149.09621	3.5
155.08591	1.3
157.10094	3.4
159.11687	16.3
161.09639	1.8
161.13271	10.6
163.11237	2.0
169.10176	1.9
171.11667	1.7
173.13203	4.8
175.11243	0.9
177.12695	1.1
183.11688	1.7
185.13229	8.7
194.09909	1.0
197.13240	2.7
201.16362	1.7
203.14261	5.2
213.11617	0.8
215.18198	1.0
215.66127	0.9
219.17499	2.2
229.19539	2.2
239.17972	3.5
254.62724	1.1
257.19037	8.2
257.26642	1.6
275.20059	100.0
275.27744	28.9
276.20386	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	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03934	1.2
55.01864	2.0
55.05511	13.6
57.03190	0.9
57.03439	11.2
57.48214	0.7
65.03926	0.8
67.05503	19.2
69.03403	1.1
69.07066	12.3
69.91485	3.9
71.04978	2.2
72.93377	0.7
75.39352	0.6
76.12462	0.7
79.05491	20.4
81.07057	20.9
83.04958	1.9
83.08624	7.0
85.06529	2.6
91.05481	43.2
93.06476	1.3
93.07040	22.0
95.04973	4.5
95.08609	17.8
97.06530	3.5
97.10168	1.3
99.04457	0.9
99.08073	2.4
103.05489	2.0
105.07032	59.4
106.07312	1.1
107.04935	2.6
107.08597	14.0
109.06508	4.7
109.10183	4.5
111.08097	1.5
113.06062	1.0
116.06183	0.8
117.07018	12.9
119.08582	41.8
121.06474	3.7
121.10139	9.1
122.95712	0.8
123.08086	3.1
123.11725	1.2
125.09630	1.0
125.48852	0.7
128.06206	1.6
129.07010	5.6
131.08559	17.1
131.67468	0.7
133.06546	1.4
133.10130	33.5
135.08070	4.1
135.11688	3.3
137.09601	2.4
141.07028	1.0
142.07732	0.7
143.08568	6.5
144.09241	1.4
145.06471	1.1
145.10133	15.9
147.08029	1.7
147.11681	29.7
149.09634	8.2
149.13239	0.7
151.11180	0.8
155.08549	1.2
157.10106	5.2
159.08035	0.9
159.11693	15.1
161.09612	3.3
161.13243	7.1
163.11188	5.1
169.10114	3.0
171.11665	3.4
172.95326	0.8
173.13260	5.4
175.11186	1.2
175.14816	2.3
177.12723	1.1
183.11700	3.8
185.13258	13.0
187.11206	1.9
191.14276	1.5
197.13231	3.5
199.14810	1.9
201.12737	1.2
201.16370	3.0
203.14310	11.0
211.14839	1.0
217.15787	1.2
219.17468	6.2
229.19479	1.4
239.17914	6.1
247.17046	0.8
257.19000	12.6
275.20059	100.0
276.20294	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	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.09223	1.4
55.01859	2.0
55.05508	12.4
57.03415	3.8
67.05494	11.3
69.07068	9.0
69.48965	10.8
73.81785	1.4
79.05492	12.5
81.07058	14.0
83.08619	6.3
89.60663	1.4
91.05483	35.7
93.07041	14.1
95.04977	3.2
95.08601	9.9
97.10182	2.8
103.05487	1.7
105.07026	61.4
107.08601	12.5
109.06514	1.5
109.10156	3.4
115.62429	1.5
117.07001	7.5
119.08572	33.1
121.06586	2.0
121.10106	3.4
128.30286	1.3
129.06992	1.4
131.08545	12.6
133.09097	1.9
133.10126	30.5
135.08018	1.8
135.11690	2.5
142.60268	1.4
143.08524	2.1
145.10109	11.9
145.26268	1.1
147.07962	1.6
147.11684	35.8
149.09596	4.7
157.10130	3.4
159.11685	13.2
161.13257	6.1
171.11693	3.0
173.13243	5.2
183.11682	3.0
185.13246	5.7
203.14322	3.3
207.13832	1.3
219.17383	1.6
239.17970	5.5
252.53435	1.3
257.18921	8.3
275.20056	100.0
276.20395	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	Dicranin
Peak:m/z	Relative Intensity
55.01859	3.5
55.05516	17.3
55.71185	1.8
57.03423	3.3
65.03950	2.3
67.05514	25.5
68.69249	1.6
69.07064	11.0
70.11990	8.0
79.05502	25.9
81.07053	32.3
83.04987	3.5
83.08614	6.0
91.05484	54.6
93.07046	28.0
95.04957	6.6
95.08611	16.1
97.06516	6.3
97.10157	2.3
97.52217	1.8
103.05443	3.1
105.07039	68.2
107.04955	6.2
107.08599	19.5
107.39027	1.6
109.06503	6.8
109.10148	7.7
111.08073	2.5
111.41283	1.7
117.07006	14.1
119.08591	37.1
121.06493	6.4
121.10152	10.0
123.08027	2.6
123.11713	1.9
125.09576	3.8
129.06992	3.8
131.08580	19.1
133.10127	43.9
135.08064	5.0
135.11668	5.1
137.09592	5.3
143.08546	3.3
145.10139	15.7
147.07994	2.5
147.11713	22.8
149.09619	5.0
151.11200	4.1
155.08514	2.7
157.10164	5.0
159.11685	10.4
161.09608	2.1
161.13275	7.3
163.11168	9.8
165.12718	3.5
171.11664	2.3
173.13254	5.5
177.12772	2.6
183.11720	4.0
197.13181	2.2
198.46552	1.9
229.19487	5.0
239.17990	10.6
247.20598	3.4
257.19070	10.9
275.20068	100.0
276.20447	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	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03934	1.1
55.01859	1.8
55.05510	10.3
57.03429	3.8
59.04999	0.7
65.03936	1.2
67.05502	10.9
69.07059	7.0
69.23380	0.7
69.52847	6.1
71.04976	1.0
72.46645	0.7
79.05488	13.4
81.07050	13.1
83.04969	1.6
83.08620	5.7
87.04460	0.9
89.83199	0.7
91.05476	29.1
93.07042	11.4
95.04961	1.8
95.08601	8.6
97.06535	1.4
97.10162	2.0
99.08062	1.2
99.46073	0.8
103.05470	1.0
105.07025	52.8
107.04945	1.3
107.08585	9.0
109.06505	0.8
109.10139	3.4
111.08086	1.1
115.05434	0.9
117.07011	9.7
119.08573	30.1
120.08957	1.1
121.06490	1.0
121.10111	4.4
123.08031	0.9
123.11684	1.0
125.09592	1.0
129.06967	2.9
131.08565	11.0
132.09309	1.1
132.24139	0.7
133.10124	30.6
135.08035	1.7
135.11679	1.8
141.06924	0.8
143.08563	2.7
145.10124	13.4
147.11682	30.9
149.09607	3.1
150.70045	0.8
155.08545	1.1
157.10092	3.2
159.11685	13.0
161.09633	1.0
161.13254	6.6
162.34531	1.1
169.10080	1.6
171.11650	1.9
173.13277	4.1
175.14848	1.7
181.12178	1.5
183.11681	2.8
185.13219	4.6
197.13239	1.7
203.14288	4.2
219.13799	0.8
219.17358	1.0
229.19492	1.4
239.18008	3.7
257.18970	10.6
275.20047	100.0
276.20410	2.6
298.97336	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	Dicranin
Peak:m/z	Relative Intensity
55.01861	4.1
55.05268	1.6
55.05511	21.9
65.03899	1.4
66.18920	1.6
67.05503	26.6
69.07055	9.7
71.04968	3.7
71.43622	2.7
71.77673	1.3
79.05071	2.3
79.05498	35.4
81.07051	26.5
83.04986	1.9
83.08600	6.3
91.05479	42.4
93.07037	29.2
95.04961	4.6
95.08606	13.3
97.06515	3.4
97.10153	4.7
105.07030	61.5
107.04972	14.3
107.08595	20.8
109.06525	3.6
109.10152	13.0
111.08031	2.0
115.05402	2.1
116.06245	1.5
117.07013	14.9
119.08580	38.2
121.06481	2.9
121.10134	13.4
123.08058	1.8
123.11674	2.8
125.09618	3.9
129.07002	2.4
131.08577	21.0
133.06500	2.2
133.10129	36.5
135.08038	3.9
135.11681	3.6
143.08496	2.0
145.10120	15.0
147.11679	25.0
148.08876	1.4
149.09607	34.0
149.13208	1.3
152.92488	1.2
154.82555	1.6
157.10136	2.0
159.11655	12.9
161.13249	7.5
163.11189	3.8
169.10136	3.7
169.12239	1.5
171.11670	3.9
173.11716	3.9
173.13277	5.9
177.12775	2.3
183.11674	3.9
185.13219	1.6
187.11221	2.4
187.13318	2.0
197.13269	2.1
215.17947	1.5
229.19603	7.5
239.17937	5.3
247.20659	1.8
257.18967	14.1
275.20071	100.0
275.27734	3.5
276.06516	2.0
276.20355	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03931	1.7
55.01860	3.3
55.05510	16.5
57.03436	2.4
59.35208	1.7
62.08923	1.3
65.03918	2.1
67.05502	25.3
68.10945	1.4
69.07066	11.3
70.11895	7.8
71.04972	1.8
73.06526	1.9
74.06846	1.2
79.05486	26.4
81.07050	30.8
81.80721	1.6
83.04958	3.3
83.08609	4.9
85.06533	2.0
91.05476	45.3
93.07041	26.8
95.04961	6.4
95.08601	17.6
97.06525	4.3
97.10145	2.7
105.07027	68.2
106.07302	1.7
107.04958	6.2
107.08589	17.9
109.06527	7.9
109.10159	5.0
111.08078	2.0
117.07003	12.8
119.08572	36.2
121.06470	5.4
121.10110	10.7
123.08076	7.7
123.11709	2.4
125.09680	2.4
129.06961	2.8
131.08560	20.5
133.10126	41.1
135.08047	6.3
135.11690	5.4
137.09572	5.2
137.52701	1.5
143.08562	1.7
145.10094	17.9
147.11655	23.2
149.09586	8.2
151.11165	2.3
155.08563	1.8
157.10139	4.9
159.11699	12.9
161.09575	1.9
161.13272	5.3
163.11131	4.2
171.11668	4.7
173.13272	8.5
175.11255	3.6
175.14789	1.8
177.12711	2.6
180.00488	1.6
183.11662	2.8
185.13203	4.5
187.11234	2.4
187.14774	2.1
191.14494	1.8
197.13324	2.3
199.14714	1.8
201.12782	3.1
203.14343	3.2
215.17921	2.1
217.19810	1.4
219.13765	1.8
228.15282	1.5
229.19394	2.7
239.17964	5.6
247.20638	4.5
257.18997	10.2
275.20059	100.0
276.20435	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03934	3.7
55.01867	6.9
55.05507	27.4
57.03420	2.8
59.04996	0.9
60.12558	1.2
67.05498	33.8
67.05866	1.6
69.03410	2.0
69.07060	9.9
69.56360	6.7
69.56776	1.9
71.04977	2.8
74.17493	1.0
79.05486	42.0
81.03387	1.0
81.07047	26.2
83.04958	3.4
83.08604	5.5
85.06535	1.4
87.68954	1.2
90.45188	0.9
91.05470	38.5
93.07034	25.3
95.04958	6.1
95.08599	11.6
97.06505	4.3
97.10144	4.7
103.05450	1.1
105.07019	44.5
107.04942	26.0
107.08583	28.4
109.06477	3.1
109.10142	18.1
111.08047	2.7
113.87038	0.9
115.05435	1.4
117.07000	13.0
119.08567	31.7
121.06487	2.7
121.10126	11.8
123.08010	1.5
123.11700	3.7
125.09611	5.1
129.06970	3.2
131.08553	16.5
133.06487	1.1
133.10110	34.4
135.08069	5.7
135.11667	3.8
137.09583	1.2
143.08528	2.1
145.10112	15.9
147.08018	2.2
147.11671	20.0
147.47882	1.1
149.09604	47.8
151.11159	1.6
153.09119	2.2
155.08521	1.2
157.10118	3.0
159.11678	11.1
161.13225	6.6
163.11125	2.9
167.10674	1.0
169.12181	3.3
171.11632	2.1
173.11734	3.7
173.13248	5.2
175.14838	1.4
177.12671	1.1
179.10657	1.0
183.11716	1.8
187.11153	3.1
187.14819	1.8
192.26294	1.0
197.13176	3.1
201.12762	1.5
211.14653	1.3
215.14333	2.1
215.18011	2.5
219.13762	1.6
229.19531	9.9
233.15250	1.6
239.17923	3.4
247.20526	3.6
257.18991	15.3
275.20029	100.0
276.20465	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	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03931	3.2
55.01861	2.8
55.05509	12.4
57.07054	1.7
67.05499	22.1
69.06701	1.5
69.07066	12.1
69.65474	4.0
69.65903	4.1
71.04964	2.7
79.05490	20.3
81.07050	21.6
83.04954	3.0
83.08601	4.7
85.06533	1.5
91.05475	45.9
93.05858	1.1
93.07037	21.9
95.04945	5.2
95.08598	15.0
97.06520	5.1
97.10150	2.9
98.21486	1.7
104.82085	1.2
105.07021	59.2
107.04939	3.6
107.08593	16.3
109.06496	4.5
109.10152	7.1
111.08040	1.3
115.05495	1.2
117.07008	12.4
119.08572	38.3
121.06474	3.4
121.10136	10.4
123.08045	3.0
123.11660	2.3
125.09521	1.2
129.06985	4.5
131.08568	19.5
133.06454	1.5
133.10120	40.4
135.08038	3.6
135.11679	4.7
137.09595	4.3
141.06987	2.1
143.08606	1.9
145.10121	14.2
147.11676	20.6
149.09616	12.5
149.13284	2.2
151.11154	3.5
155.08578	1.4
157.10117	3.4
159.11691	12.2
161.09622	1.3
161.13271	6.1
163.11147	7.1
165.12691	1.2
169.10075	3.4
171.11697	4.2
173.13271	7.8
175.11128	3.0
175.14751	1.3
177.12746	1.9
183.11690	3.4
185.13309	1.8
187.11263	2.0
187.14845	1.8
189.12711	1.7
191.14287	2.0
197.13278	5.1
215.17931	2.0
219.13814	1.3
229.19467	4.3
233.15445	1.8
239.17923	5.5
247.20656	2.3
257.19025	11.9
275.20050	100.0
275.27786	3.8
276.20416	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	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03939	1.9
55.01857	2.8
55.05266	1.3
55.05509	15.0
56.96555	1.2
57.03428	1.0
57.07048	1.0
57.35416	0.9
59.04997	1.2
65.03925	2.4
67.05499	26.2
69.03423	0.9
69.06729	0.9
69.07062	11.2
69.85574	2.8
69.85981	1.8
70.06576	1.4
71.04971	2.3
72.07787	1.1
72.08146	10.5
73.06535	1.0
73.08472	1.1
79.05488	25.3
81.03430	1.1
81.07051	21.4
82.06560	1.8
82.07326	0.9
83.04969	2.5
83.08616	6.2
84.08146	5.0
85.02876	0.9
85.06538	1.6
86.03889	0.8
88.07608	0.8
91.05476	100.0
92.05790	0.8
93.07035	17.2
95.04964	4.6
95.08606	14.6
97.06507	2.9
97.10155	3.5
100.11247	2.4
101.05941	1.1
103.05453	3.4
105.07023	61.3
107.04950	14.8
107.08578	9.8
108.05255	0.8
109.06497	1.7
109.10113	3.7
110.09668	1.1
111.08075	1.4
115.05441	2.1
117.07007	11.7
119.08575	55.0
121.06479	2.4
121.10131	10.7
125.09636	0.9
129.06952	2.5
131.08562	29.3
133.10120	47.4
135.08040	2.3
135.11665	3.2
137.09618	2.0
141.06862	1.1
143.08516	1.7
145.10110	13.0
147.08057	1.7
147.11688	20.0
149.09627	2.0
154.09378	3.0
155.08485	1.7
157.10092	6.0
159.11690	5.6
161.09636	1.3
161.13263	8.9
163.11186	2.0
165.06989	0.9
167.10657	0.8
169.10088	2.4
171.11700	5.4
173.13257	3.7
175.07443	1.3
175.11194	1.8
175.14775	1.6
177.12663	1.1
182.98956	0.8
183.08131	1.3
183.11667	3.3
189.12723	0.8
193.12248	2.4
193.19711	0.8
196.14136	1.4
197.13286	2.1
204.13852	1.2
211.07530	3.1
211.14917	1.4
215.17833	1.0
219.13977	1.3
220.14670	0.9
224.16489	1.5
229.15802	1.4
233.15274	0.9
239.17963	3.9
257.16373	1.2
257.18936	8.9
266.16467	1.0
275.20047	88.5
276.20099	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	Apo-13-zeaxanthinone
Peak:m/z	Relative Intensity
55.05497	2.6
57.07053	1.4
63.59610	0.9
67.05483	3.4
69.03399	1.3
69.07063	11.8
69.66685	7.5
71.04979	2.0
79.05470	4.3
81.07060	5.2
81.36180	1.1
83.04956	1.2
83.08606	1.0
85.06523	3.6
87.51833	0.8
91.05485	6.3
93.07037	7.8
95.04934	2.6
95.08596	8.1
97.06513	1.4
98.21483	1.3
105.07012	10.9
107.04937	1.2
107.08580	7.8
109.06489	3.6
109.10161	5.8
109.33999	0.9
111.08076	17.2
111.11725	1.3
113.09618	3.7
117.06989	1.8
119.08567	10.4
121.06497	3.8
121.10136	6.2
122.07257	4.4
123.08053	16.3
123.11718	1.6
129.06947	1.4
131.08545	10.1
133.10104	7.4
135.08040	22.1
135.11691	3.5
137.09633	1.8
139.11136	2.2
142.07675	1.4
143.08522	2.9
144.09315	1.8
145.10112	7.2
147.11678	7.1
148.08838	1.1
149.09598	3.5
156.09312	3.2
157.10097	3.3
159.11685	8.0
161.09532	2.8
161.13187	1.4
163.11160	3.4
165.12737	1.7
169.73309	0.9
171.11681	15.3
173.13255	5.4
175.11221	1.5
175.14833	1.8
176.11957	7.2
177.12646	1.2
181.12239	12.4
183.11717	1.5
184.12631	1.3
189.12714	3.1
191.14290	100.0
192.14629	2.7
192.25130	0.9
199.14877	6.2
201.12788	1.4
213.16386	1.8
215.14337	1.3
215.17932	4.2
217.15872	8.6
231.17587	1.3
239.17952	2.0
257.18973	7.3
275.20041	35.6
276.20068	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2002
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
55.05500	12.3
57.07050	7.2
59.04988	2.5
65.03927	2.5
65.88669	2.2
67.05495	14.2
69.03400	2.4
69.07065	7.9
70.06575	6.9
70.14174	11.4
71.04985	11.6
71.06917	3.6
75.34624	2.1
79.05478	11.5
81.07054	13.9
83.04948	6.4
83.08598	4.7
85.06548	11.1
88.07626	13.9
89.07953	3.5
91.05470	29.3
93.07047	23.7
95.04939	7.6
95.08602	22.4
97.06519	3.4
98.58749	2.1
102.09169	3.2
103.05457	3.4
105.07020	47.0
106.08646	5.4
107.08545	17.9
109.06503	9.4
109.10126	8.2
111.08089	11.8
115.05420	2.7
117.07005	6.8
119.08578	27.0
121.10123	22.2
123.11668	3.8
128.06224	3.7
131.08543	26.7
133.10118	37.3
135.08052	18.9
135.11702	7.5
137.09666	12.0
141.06993	2.5
142.07770	8.3
143.08583	13.4
144.09346	3.2
145.10101	23.6
147.11690	21.2
149.09576	4.4
155.08504	3.8
156.09323	3.7
157.10120	24.5
158.10889	9.7
159.11681	38.3
161.09586	5.5
161.13199	4.1
163.11139	3.5
169.10150	4.2
171.11697	11.4
173.13240	47.8
174.14046	3.2
175.11139	8.1
175.14804	3.5
177.12729	6.8
181.10185	2.6
183.11722	14.9
184.12486	4.0
185.13290	4.5
187.14810	4.5
189.12747	3.9
191.14316	8.1
195.11653	3.5
197.13264	7.2
199.14815	18.4
201.12764	11.4
211.14653	2.4
213.16426	4.4
215.17923	4.0
217.15910	6.0
239.17950	9.5
244.72581	2.4
257.18982	23.8
257.26743	6.1
275.20038	89.3
275.27728	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	Dicranin
Peak:m/z	Relative Intensity
52.04815	0.8
53.03934	2.5
55.01859	2.8
55.05512	15.1
57.03406	1.1
65.03916	1.9
67.05500	17.5
69.07071	10.1
70.00336	1.6
70.00748	2.8
71.04976	2.6
79.05050	1.5
79.05488	20.0
81.07053	22.2
82.73647	0.9
83.04971	1.7
83.08619	5.7
85.06495	1.3
90.96307	0.8
91.05471	49.6
93.07037	16.6
95.04958	3.4
95.08599	11.3
97.06484	1.6
97.10156	2.4
103.05452	1.4
105.07021	73.6
107.04932	3.1
107.08591	14.2
109.06504	2.8
109.10151	6.3
110.20207	1.1
111.08089	0.9
115.05459	1.3
117.07021	10.3
119.08569	37.5
121.06532	1.8
121.10123	7.0
123.08057	1.3
125.09637	1.0
129.07018	3.4
131.08559	14.4
132.09343	1.7
133.06488	1.2
133.10118	47.7
135.08044	3.5
135.11681	4.3
137.09563	2.5
143.08583	3.0
145.10106	14.0
147.10503	1.4
147.11678	27.7
149.09627	5.5
149.13272	1.7
155.08521	1.5
157.10124	1.9
159.11688	8.0
161.09575	1.7
161.13249	5.2
163.11154	2.4
169.10054	1.5
171.11647	3.6
173.13263	3.4
175.11124	1.4
183.11703	2.6
185.13196	1.1
197.13261	2.6
201.12924	1.2
239.17921	4.1
247.20631	1.8
257.18979	13.0
275.20044	100.0
275.27829	3.1
276.20334	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03948	2.4
55.01862	2.7
55.05515	14.5
57.03423	1.7
57.07070	2.4
66.96738	1.2
67.05505	26.1
69.03430	2.0
69.06776	1.3
69.07065	12.3
70.06591	1.6
71.04972	3.9
71.08613	2.5
71.59949	1.8
71.60349	1.7
79.05489	26.9
81.03415	2.3
81.07052	26.4
83.04981	2.6
83.08610	4.2
85.06529	2.3
91.05478	53.0
93.07043	24.1
95.04942	5.4
95.08607	18.2
97.06532	2.0
97.10159	2.6
99.08089	1.5
103.05472	1.5
105.07031	60.8
107.04930	6.5
107.08602	16.1
109.06507	3.2
109.10159	6.9
111.08080	2.9
115.05428	1.8
116.06252	1.9
117.07010	14.5
118.38221	1.4
119.08582	39.6
121.06481	4.5
121.10142	9.3
123.08070	2.6
123.11710	2.1
125.46532	1.6
129.06964	4.4
131.08560	19.2
133.09129	2.1
133.10138	37.6
135.08020	4.3
135.11659	4.5
137.09579	4.0
143.08571	3.7
145.10106	13.7
147.08014	2.4
147.11684	26.1
149.09602	7.3
149.13185	2.0
151.11223	1.9
157.10126	2.7
159.11676	14.0
161.09578	2.7
161.13248	7.2
163.11179	4.1
169.10146	3.2
171.11650	3.2
173.11832	1.9
173.13177	7.5
175.11273	2.1
177.12810	2.0
183.11671	2.0
183.87935	1.4
185.13301	3.6
187.11131	1.7
189.12729	1.4
197.13217	3.1
201.12619	1.8
201.16461	1.3
203.14513	1.5
205.12349	1.8
211.14828	1.5
219.17337	2.6
229.19473	2.5
239.17918	5.2
247.20515	2.2
257.19040	10.8
275.20053	100.0
275.27866	6.5
276.06644	5.4
276.20413	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	275.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09377	1.6
55.05502	3.6
55.57924	1.7
56.05019	5.1
56.96548	3.7
57.03400	2.1
58.06596	2.0
65.76066	1.7
67.05491	2.9
68.05029	2.8
69.07053	4.4
70.06593	27.0
71.58006	2.2
72.08154	9.5
74.06055	2.4
84.04505	49.7
84.08136	24.2
85.02903	2.6
86.09707	100.0
87.10026	2.3
91.05476	2.1
97.02855	2.2
98.06065	3.5
98.97569	3.1
102.05549	13.3
107.04938	4.9
110.07146	5.0
112.08736	1.8
112.11255	2.7
113.97640	1.7
116.07069	9.9
120.08080	6.9
128.10709	10.7
129.10234	6.1
130.08638	2.4
131.95047	1.7
132.10172	2.0
134.99617	2.1
144.06566	31.4
162.07625	59.9
172.66832	1.7
173.07263	2.5
177.00743	2.2
188.07089	2.3
204.25702	1.8
215.13939	2.3
241.63785	2.0
246.30351	1.9
255.14537	2.1
275.15994	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	275.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64950	0.8
54.13874	0.8
55.05516	1.8
56.05025	2.1
56.96550	1.2
58.06602	1.1
59.55762	0.9
61.64725	0.9
67.05489	2.2
69.07056	1.6
70.06593	10.7
71.04994	2.5
71.57777	1.6
72.08155	3.5
74.06097	1.4
79.05496	1.5
82.06579	1.2
84.04505	3.5
84.08138	8.8
86.09708	4.8
88.07629	1.7
91.05470	2.9
94.74645	0.9
98.06058	10.9
98.09707	1.3
98.97559	1.1
99.20414	0.9
103.05453	1.1
105.07024	1.7
107.04951	4.0
107.19952	0.8
109.10183	1.3
110.07162	1.8
112.11238	1.5
115.05460	3.7
116.98609	1.2
117.05755	2.7
117.07030	3.4
118.06541	45.0
119.01933	2.1
120.08091	5.4
129.10255	2.6
130.06516	4.4
131.04938	1.8
132.08090	44.1
142.06532	4.3
143.07285	5.7
143.08292	1.0
144.06578	7.7
144.08090	21.8
146.06007	85.7
147.06371	1.8
158.08397	10.8
170.06023	9.0
188.07066	100.0
189.07390	2.8
211.12407	1.1
221.06578	1.8
229.13354	7.4
233.06599	3.0
257.12790	2.3
275.10995	1.3
275.13763	4.5
276.59280	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.2
55.01869	1.5
55.05511	1.7
56.96552	1.0
57.03427	2.2
60.04524	0.7
61.01149	9.8
67.05507	9.1
69.61968	4.9
70.06585	3.3
71.04992	8.5
72.04511	17.1
72.08153	3.1
72.60047	0.8
78.03786	18.1
79.05473	1.4
81.03419	23.0
81.07052	1.5
83.04982	2.2
83.08620	1.3
84.04507	1.3
84.08131	3.3
85.06571	0.8
86.09695	4.6
91.05475	2.4
93.07050	1.1
95.08611	2.1
97.11610	0.6
99.04450	100.0
101.86154	0.8
102.03762	27.9
103.02166	0.8
104.10714	0.9
107.04961	2.5
107.73621	0.6
109.02876	11.8
109.10153	10.1
110.07164	0.9
114.03748	5.1
116.98589	0.9
118.06381	0.6
119.08561	2.4
120.04796	3.1
120.08096	1.6
121.06507	0.6
124.99965	1.2
126.05515	3.1
127.03911	95.1
131.04895	1.1
131.06383	15.0
132.04785	20.7
132.08043	1.0
133.10156	0.9
134.99606	1.0
137.09637	1.1
144.06523	1.1
149.07434	94.9
149.18202	0.6
155.10593	1.1
156.06526	1.4
159.09167	1.8
162.07584	1.5
173.11742	9.4
180.06546	4.2
184.07315	3.3
198.07611	54.4
220.90379	0.7
257.09521	2.9
275.10602	16.7
275.14911	1.8
275.19696	0.8
276.06537	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.7
55.05497	4.5
57.03429	8.6
57.07067	20.6
61.02925	7.1
67.05505	20.0
68.73943	3.1
69.03088	3.5
69.03434	49.4
69.07050	5.6
69.14957	3.1
70.06584	10.7
70.10157	6.7
70.10566	10.5
71.01344	6.7
71.04994	7.7
72.08144	8.6
73.02912	3.5
79.05491	4.4
81.03407	11.2
84.04496	5.0
84.08147	37.4
85.02907	35.1
85.06538	20.2
86.09727	5.5
88.40251	2.6
95.04968	24.8
95.08628	4.1
97.02905	31.1
98.03518	5.4
98.20829	3.5
99.04446	12.2
100.05098	4.4
105.07014	3.6
107.04914	7.1
109.02853	9.1
109.06535	5.1
110.07139	5.4
113.06008	100.0
115.06181	17.8
126.03040	3.1
127.03928	28.8
129.10254	4.5
131.07059	11.7
143.05643	33.8
145.04980	4.7
151.07539	8.9
179.07010	3.1
194.21449	3.2
275.11057	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84612	2.8
53.03936	4.8
53.92900	3.1
55.01871	8.6
55.93520	4.9
56.96576	14.9
57.03416	12.1
57.07077	26.9
60.05647	46.5
60.58038	3.0
61.02917	4.1
65.03924	4.3
66.59354	3.1
67.05504	22.5
69.03429	26.7
69.07069	5.2
70.02888	2.8
70.06589	18.0
71.04976	7.3
71.06898	4.7
71.59711	4.9
72.08127	7.0
73.02899	9.4
76.02199	5.4
79.05481	4.3
81.03400	15.8
81.04547	3.9
81.07037	4.3
83.06062	3.1
84.04483	6.0
84.08147	22.4
85.02902	34.5
85.06551	26.2
87.04427	3.0
88.26614	2.9
91.05457	4.5
95.04971	29.3
95.06057	7.0
95.08579	3.7
96.04501	3.5
97.02886	64.5
97.06524	21.6
97.07599	2.8
98.03545	3.8
98.97570	10.0
99.04456	18.0
105.06984	2.9
107.04951	68.5
108.05243	7.5
108.95802	3.1
109.02860	18.8
110.06026	12.5
110.07151	3.9
111.05542	12.6
112.07549	5.3
113.00027	9.6
113.05998	100.0
113.07135	19.4
115.06165	9.9
116.98598	6.3
119.01907	6.6
120.01967	3.1
120.08063	3.7
120.31267	3.5
122.19985	2.9
123.05543	8.4
125.07114	3.6
127.03902	23.5
127.08647	20.9
128.98508	3.2
129.10202	4.4
130.05063	3.1
131.07025	5.7
134.05988	12.0
134.99586	4.8
136.07619	2.9
141.06581	19.2
143.05605	15.0
145.04930	9.6
146.99612	3.7
151.08690	3.5
152.03149	8.3
152.07033	29.5
154.06876	3.5
154.08620	5.0
162.02206	4.4
169.09708	14.1
171.07635	8.6
171.11301	14.7
179.04802	5.2
185.06581	7.1
189.50313	3.2
203.07726	6.3
213.09752	3.1
213.13518	9.4
215.10202	8.2
237.02740	3.9
239.14098	4.0
257.09311	9.5
257.12421	11.9
257.14951	17.3
275.10825	49.9
275.13547	18.1
275.16290	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51339	7.5
56.05032	15.4
56.96560	41.8
60.04523	27.2
67.05489	10.4
69.03444	8.7
70.03193	43.1
70.06594	72.6
71.04984	9.5
72.08144	28.7
72.93784	10.9
79.05491	12.4
83.06100	19.2
84.04516	22.0
84.08147	100.0
86.09707	28.7
91.05479	15.7
95.04990	10.1
96.01888	11.0
97.02868	10.3
98.20912	10.3
98.97605	57.0
107.04948	38.0
107.08695	9.0
110.07163	20.5
111.04462	10.7
116.07098	13.9
116.98605	54.6
118.31512	8.9
120.08128	24.6
123.04423	10.0
126.80585	9.3
128.98531	9.7
129.10266	34.8
131.08583	11.3
133.12823	9.6
134.99637	51.0
136.07600	16.5
146.99771	10.8
153.00714	10.3
177.00745	40.7
192.05893	9.3
195.01732	35.5
235.01276	13.2
245.07695	11.3
257.11325	17.5
274.27579	12.0
275.12418	29.2
275.16483	10.8
275.20059	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	275.0162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	12.1
56.96563	40.8
59.06107	15.6
60.04528	25.2
67.05513	18.6
70.06585	58.6
71.56844	10.4
71.57296	12.8
71.61137	12.5
72.08134	37.4
72.31261	12.3
75.14504	12.7
81.03424	14.1
81.07048	19.2
83.06112	18.0
84.04503	22.5
84.08149	100.0
86.09712	23.6
91.05477	13.7
93.07031	16.9
94.13647	11.3
95.06139	11.7
96.75238	11.2
97.89397	12.1
98.97581	53.5
107.04953	31.6
110.07172	13.7
112.11287	13.7
113.05981	12.4
116.98608	60.9
120.08083	29.0
128.05215	12.4
129.10205	28.1
134.99649	35.8
140.07115	11.9
144.10289	18.3
147.04411	13.2
177.00743	31.0
195.01881	23.3
240.62619	12.5
253.02493	12.9
257.11328	33.1
258.09518	12.3
275.12384	73.2
275.16226	15.8
275.20184	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	275.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.05487	1.8
56.05029	2.2
56.96564	16.2
57.03418	3.6
57.07074	7.0
58.06590	2.4
60.04510	2.4
60.05636	1.5
67.05507	12.3
68.62672	1.1
69.03429	3.8
70.06590	16.6
70.98117	2.6
71.04986	9.8
71.06907	1.6
71.57097	2.3
72.08162	14.6
73.02908	1.4
80.05014	1.6
81.03416	25.0
82.06576	1.4
83.06098	2.6
83.41259	1.4
84.04495	5.7
84.08147	47.9
85.02889	5.4
85.06554	6.6
86.06020	1.3
86.09708	3.9
87.04440	1.2
88.99197	1.3
91.05487	2.2
95.04967	19.7
97.02879	1.9
97.06525	1.4
98.09667	3.9
98.97575	2.9
99.04462	14.9
101.10780	1.7
107.04955	7.1
108.04493	2.1
109.02879	15.0
110.07147	5.8
111.05578	1.5
112.11234	4.9
113.06007	100.0
116.98562	1.6
119.01905	2.3
120.08078	1.5
125.07117	10.7
127.03912	5.0
128.98602	3.8
129.10272	8.1
130.08627	2.8
131.01884	3.0
131.07018	2.9
132.04799	1.8
134.99681	1.6
143.05615	4.4
144.10201	1.3
146.99644	6.2
147.11295	1.5
149.02936	3.3
157.03432	1.4
165.00711	4.1
169.09764	4.1
173.03012	1.4
174.99162	10.5
175.11957	2.3
177.02396	2.3
190.98657	5.6
193.00221	25.4
193.01903	2.4
199.07304	1.4
203.03998	2.2
208.99550	2.5
211.01266	2.9
223.01335	1.4
232.99628	2.0
275.12592	2.3
275.20285	2.2
275.24445	3.3
297.91849	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.3
52.24234	0.3
53.03932	0.5
54.10695	0.3
55.01868	0.3
56.05044	0.3
56.96584	0.4
59.82123	0.3
67.05495	1.4
70.06578	0.5
71.01501	0.8
79.05090	0.3
79.05492	1.5
81.03455	0.3
94.06575	2.8
95.04958	1.3
105.04516	0.4
106.06541	1.1
107.04945	100.0
108.05294	0.9
122.06009	3.4
141.50403	0.3
146.97450	0.4
150.05492	66.7
151.05807	0.7
163.80428	0.4
168.06551	19.1
199.57097	0.4
256.09695	2.0
274.10742	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47730	0.2
53.03942	0.6
56.96576	0.3
62.06087	33.2
70.06580	0.7
70.51502	0.9
72.08143	0.3
79.05464	0.9
84.08105	0.4
86.09698	0.5
95.04962	0.9
98.97569	0.3
107.04948	100.0
108.05309	0.8
168.10179	14.4
175.82158	0.3
208.95374	0.4
227.97174	1.2
231.13406	0.3
232.97623	0.3
250.98828	0.7
274.14493	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	274.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89870	0.5
55.05498	3.2
56.05033	6.2
56.96555	1.6
58.06594	3.3
62.06105	0.7
67.05501	6.8
68.05012	1.0
69.07059	3.6
69.73344	3.8
70.06589	5.5
71.04990	1.0
72.04506	5.2
72.08150	0.9
74.06074	4.9
76.99727	1.4
79.05480	3.6
80.05006	2.0
81.07045	9.6
82.06558	2.2
83.04977	1.0
83.08628	1.1
83.44357	0.6
84.08141	6.6
85.06528	1.2
86.09710	0.8
87.04443	1.2
88.29507	0.5
91.05482	4.2
93.07034	2.5
95.04963	1.5
95.08602	2.3
96.08122	1.0
98.06061	3.0
98.09670	1.3
98.97569	1.0
100.07619	1.6
105.07010	1.7
107.04958	3.5
107.08572	2.6
109.10151	3.3
110.09651	1.0
114.05502	3.0
116.10719	1.1
116.98592	1.0
120.08028	0.9
122.02709	0.7
123.11678	1.3
124.07635	0.7
133.10143	1.5
134.99643	1.1
135.11650	0.7
146.97403	2.1
147.05090	1.2
150.01164	0.6
150.12764	0.6
151.11125	0.8
158.08121	1.4
160.06062	1.9
166.15883	1.2
168.10249	0.6
168.13855	1.7
169.06326	0.6
169.99051	2.0
189.06075	2.0
194.15396	10.7
210.14859	0.8
212.16446	32.1
213.16560	0.7
230.17493	100.0
231.17781	1.7
232.99054	0.7
247.96455	1.0
256.19061	31.3
257.19458	0.9
274.11090	2.6
274.16931	1.1
274.20084	4.6
275.99176	0.7
284.23151	0.7
299.07977	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2573
Annotation	Trixagoene
Peak:m/z	Relative Intensity
55.05502	24.9
57.07050	12.7
57.07296	2.8
58.91500	2.2
61.03681	2.8
67.05494	35.8
69.07063	57.9
71.08632	4.2
79.05493	16.1
81.07050	96.6
83.08611	18.0
91.05479	16.2
92.92582	2.4
93.07037	55.5
95.08603	100.0
97.10142	8.6
98.21511	5.6
105.07017	37.0
107.08584	78.3
109.09453	4.7
109.10147	65.4
111.11703	6.9
119.08563	32.2
121.10134	58.2
123.11699	55.0
133.10106	25.4
135.11673	40.1
137.13216	13.8
147.11691	25.1
149.13246	53.3
151.14774	6.9
161.13268	32.8
163.14783	29.1
165.16367	2.6
175.14809	14.1
177.16347	20.9
189.16373	24.8
191.17958	10.7
203.17929	18.4
217.19453	28.9
231.21001	4.1
273.18628	6.4
273.25745	99.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2577
Annotation	Trixagoene
Peak:m/z	Relative Intensity
55.05516	19.9
58.69318	13.2
67.05495	41.5
69.07051	43.8
69.34377	12.7
71.56313	13.8
71.59774	26.5
76.12263	13.2
79.05477	18.9
81.07038	80.5
83.08607	29.7
91.05459	21.9
93.07032	40.6
95.08614	100.0
105.07054	32.1
107.08591	55.6
109.10152	63.8
115.95879	11.5
117.84904	12.5
119.08573	25.8
121.10139	67.0
123.11687	51.6
133.10126	28.7
135.11693	27.0
137.13203	17.1
147.11711	29.6
149.13272	32.6
161.13239	21.0
163.14842	32.8
177.16347	24.3
179.60254	13.9
189.16309	26.9
203.17924	20.9
273.25720	90.9
279.43704	14.1
285.58792	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	273.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.7
55.01863	6.8
55.05513	100.0
57.03150	2.8
57.03438	44.2
57.07077	18.7
59.04981	2.8
60.31541	2.2
66.51405	2.3
67.05507	27.9
69.03417	2.8
69.07069	91.1
69.27094	12.6
69.27523	11.0
70.06577	2.5
71.04982	7.9
71.08629	7.3
73.06556	3.1
79.05502	25.6
81.07059	55.4
81.15381	2.1
83.04982	6.1
83.08142	4.6
83.08623	77.2
85.06551	8.6
85.10168	3.0
91.05468	14.8
93.07047	25.5
95.04968	4.0
95.08611	37.8
97.06525	18.9
97.10174	48.5
98.20698	4.5
99.08112	6.0
105.07017	14.3
107.04993	3.9
107.08607	32.9
109.06538	5.0
109.10162	8.1
111.08068	18.1
111.11719	3.4
115.05450	2.5
115.07574	3.8
117.07066	10.7
118.71348	2.2
119.05013	2.4
119.08583	9.6
121.10148	31.0
122.31413	2.2
123.11750	3.0
125.09647	16.3
128.06172	2.9
129.07019	7.8
131.08566	9.7
131.80878	2.6
133.06467	5.2
133.10069	3.0
135.11719	6.5
139.11194	6.0
143.08595	5.5
145.10115	13.2
147.08067	6.1
149.09607	2.6
157.10161	7.4
159.08118	4.2
159.11676	4.7
161.09637	5.9
163.11215	2.3
163.14824	37.4
163.16093	3.2
171.11703	4.7
175.11237	5.1
181.15909	21.5
199.11209	3.4
199.14897	2.8
217.15945	4.1
255.17395	5.7
255.19659	4.1
273.18369	25.3
273.20657	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1847
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03932	1.3
55.01868	3.2
55.05504	9.0
56.20652	0.6
57.03406	1.3
65.03909	1.1
67.05497	12.7
69.03407	1.9
69.07057	5.7
70.06580	0.6
71.04974	1.0
71.59145	0.6
71.59578	0.7
79.05484	10.7
79.95876	0.4
81.03400	1.5
81.07043	11.1
83.04973	1.4
83.08588	2.7
85.06516	0.6
91.05471	25.4
93.07029	9.1
95.04960	4.4
95.08035	0.8
95.08597	8.6
97.06519	1.2
97.10148	1.9
103.05463	1.6
105.03407	0.9
105.07015	22.3
107.04947	3.7
107.08574	6.7
109.06510	1.9
109.10151	3.4
111.08047	1.5
115.05418	3.5
116.06238	2.5
117.06207	0.9
117.07005	15.3
119.04910	0.9
119.08568	18.4
121.06519	3.4
121.10103	3.1
123.08033	1.8
125.09585	1.2
128.06213	2.9
129.06990	10.6
130.07777	3.5
131.04912	0.8
131.08556	38.0
132.08879	0.5
133.06487	4.5
133.10124	6.1
135.08092	2.3
135.11641	0.8
137.09602	1.1
141.06941	1.6
142.07806	2.3
143.08545	11.7
144.09346	0.8
145.06468	2.7
145.10103	27.4
146.07234	1.1
146.97351	0.6
147.08025	12.8
147.11670	2.7
149.09627	2.4
151.07608	0.6
154.07761	0.9
155.08551	2.4
157.06427	0.9
157.10109	8.9
158.10873	0.7
159.08046	5.7
159.11676	7.5
161.05952	0.6
161.09608	9.5
161.13182	0.7
163.11127	1.6
167.08524	0.7
169.10110	2.1
169.98926	0.6
171.08009	1.0
171.11646	4.9
173.09592	2.9
173.13251	1.7
175.11150	6.9
177.09114	1.2
177.12727	0.7
181.10089	1.9
183.11581	1.0
185.09595	1.3
185.13228	2.1
187.11165	1.7
189.12755	1.7
195.11703	2.2
197.13353	1.0
199.11157	4.2
199.14922	0.8
203.10558	0.7
205.12251	0.9
209.13272	0.8
211.14885	0.9
213.12737	1.2
213.16356	1.2
217.12260	1.1
227.17932	3.4
229.15929	0.5
231.17404	0.6
237.16396	3.6
245.19012	3.1
255.17421	10.6
273.18460	100.0
274.18774	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1848
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
55.01855	5.1
55.05507	15.8
55.42548	1.5
55.58313	1.5
57.03433	10.5
57.07051	2.5
65.03931	1.7
67.05505	19.2
69.03423	32.1
69.07066	13.0
69.22186	1.7
69.70826	2.9
69.71236	8.7
70.06590	3.2
71.04984	2.5
79.05488	22.2
80.34370	1.5
81.07048	20.7
83.04983	1.7
83.08599	5.8
91.05478	46.1
93.07039	17.6
95.04938	5.1
95.08606	12.8
97.06512	4.4
97.10124	2.8
98.28712	1.9
98.98474	2.4
103.05450	3.0
105.07029	38.8
107.04940	3.4
107.08612	10.6
109.06505	6.1
109.10133	4.6
111.08047	2.9
115.05450	4.7
116.06210	4.0
117.07014	32.1
119.08578	26.7
121.06497	7.2
121.10122	5.1
123.08046	5.0
124.08243	1.5
128.06203	7.2
129.06995	19.7
130.07768	6.3
131.08560	53.4
132.05565	1.5
133.06496	6.9
133.10112	16.1
135.08040	7.6
135.11720	1.9
141.06985	3.3
142.07759	6.8
143.08545	17.9
145.06476	2.9
145.10114	50.4
147.08040	25.7
147.11664	7.1
149.09547	7.8
155.08524	6.4
157.10115	19.1
159.08025	7.2
159.11673	17.5
161.09613	17.9
161.13243	4.6
169.10059	3.1
171.07990	1.9
171.11696	12.8
173.09595	3.7
173.13254	4.5
175.11162	14.7
175.63669	1.7
181.10120	3.5
183.11630	3.8
185.13246	7.6
187.11183	3.2
189.12737	7.5
195.11678	3.3
199.11183	2.7
199.14745	3.1
201.12723	3.2
203.17914	1.9
205.15857	3.6
211.14781	1.9
213.12630	2.6
213.16455	2.1
217.15863	11.0
227.17932	5.8
237.16359	6.0
245.19003	13.6
255.14142	1.7
255.17418	12.6
273.18481	100.0
291.12756	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
52.63428	1.1
53.03937	2.0
53.18188	1.0
55.01855	3.3
55.05509	8.1
56.96550	2.7
57.03418	3.2
57.07072	1.6
59.04992	1.8
61.66043	1.2
67.05499	11.4
69.03436	2.3
69.07063	9.9
69.67422	7.0
70.06581	3.0
71.04969	3.3
78.84428	0.9
79.05483	13.4
80.52087	1.0
81.07045	15.3
83.04970	2.5
83.08602	4.3
83.41109	1.0
85.06527	2.2
89.08318	1.0
91.05473	24.9
91.06008	2.2
92.05798	1.2
93.07035	14.1
95.04965	16.0
95.08616	8.4
97.06544	1.7
97.10114	1.3
98.97555	5.3
99.04466	1.0
102.39996	1.1
103.05439	2.2
105.07023	22.7
107.04951	5.0
107.08598	9.7
109.06521	14.8
109.10149	8.0
111.08101	2.3
111.11660	1.2
115.05434	4.1
116.06188	1.9
116.98600	5.3
117.07008	20.3
119.08577	19.2
121.06522	5.6
121.10107	5.6
123.08061	16.7
123.11668	2.1
125.05962	1.1
128.06216	5.4
129.07008	11.6
130.07780	3.0
131.04825	1.2
131.08565	27.1
132.55185	1.1
133.06467	6.0
133.10115	9.7
134.99629	6.3
135.08052	11.2
135.11662	1.7
137.09608	2.8
141.06982	3.7
142.07782	4.1
143.08546	11.8
143.61366	1.2
145.06448	2.9
145.10114	30.9
146.97411	2.4
147.08054	11.2
147.11665	5.9
149.09608	1.6
149.13347	1.4
151.07520	3.1
151.11150	2.9
153.06937	1.8
155.08562	3.7
156.09326	4.8
157.10110	19.8
158.10854	2.1
159.08034	4.3
159.11705	10.6
161.09584	9.3
161.13246	1.3
163.11172	3.7
165.09157	1.2
169.10130	4.3
169.99039	3.8
171.11687	13.5
173.09589	7.3
173.13240	11.7
174.10371	1.6
175.11166	10.3
177.00583	1.2
177.12747	1.5
181.10043	2.5
182.13570	1.1
183.11711	2.3
184.08801	1.3
185.09604	3.1
185.13252	4.4
187.11124	5.2
187.14769	1.1
189.12723	7.3
191.02271	1.2
195.11664	3.0
197.13303	6.4
199.11156	9.5
201.12781	1.5
203.14381	1.5
207.11720	1.5
211.14775	1.4
213.12718	4.2
213.16367	4.2
214.13503	2.7
215.14363	5.6
217.12190	7.0
217.15776	1.9
225.12741	3.0
227.05862	1.5
227.17921	4.1
229.15855	1.6
231.17509	2.9
236.09616	1.0
237.16409	5.1
240.14917	1.3
245.18999	2.6
255.17465	20.4
273.18475	100.0
274.18854	1.2
289.91962	1.2
290.94479	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1847
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03947	2.7
53.16693	1.5
55.01854	4.7
55.05265	1.6
55.05510	18.3
57.03435	26.2
62.11308	1.4
65.03922	1.9
67.05508	18.8
69.03425	2.3
69.07070	12.9
70.95824	2.0
70.96150	2.8
71.04966	1.5
74.69621	1.4
74.83373	1.4
79.05493	18.4
81.03419	2.0
81.07047	16.6
82.63862	1.4
83.04975	2.6
83.08616	8.7
85.06520	5.3
91.05481	47.5
93.07043	14.7
95.04979	3.4
95.08588	11.1
97.06516	2.3
97.10170	2.5
100.55081	1.5
103.05473	2.0
103.61353	1.4
105.07025	25.9
107.04939	5.9
107.08605	7.6
109.06515	11.2
109.10165	4.7
111.08125	1.8
111.11645	1.5
113.09609	1.7
115.05458	9.1
116.06239	3.2
117.07013	56.1
119.08570	16.1
121.06488	3.0
121.10171	3.6
122.79586	1.7
123.08059	3.7
128.06212	8.3
129.07005	28.5
130.07790	8.1
131.08562	43.4
133.06494	3.2
133.10127	7.8
135.08052	6.5
141.07002	4.4
142.07741	5.7
143.08559	21.3
144.09349	2.1
145.10120	59.0
147.08051	22.8
149.09563	2.7
155.08582	4.8
157.10126	37.0
159.08052	5.3
159.11691	28.8
161.09630	9.6
163.11244	2.7
167.08591	2.1
169.10110	3.8
171.11693	12.6
172.12360	1.7
173.09654	2.9
173.13272	7.0
175.11186	7.0
180.09418	1.6
181.10138	5.0
183.11725	9.5
185.09648	2.5
185.13271	4.3
189.12712	2.6
195.11652	6.8
199.11119	1.7
199.14806	6.8
201.12711	7.5
209.13359	2.8
213.16475	2.7
217.15866	20.1
227.17967	4.0
237.16371	6.7
245.15097	1.7
247.09201	1.7
255.17502	14.3
273.18491	100.0
274.18884	2.6
291.12732	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	273.1847
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03923	1.9
54.66002	0.8
55.01852	3.9
55.05262	1.6
55.05506	20.9
57.03436	4.9
59.04986	0.8
65.03934	1.3
67.05502	16.2
69.03423	1.1
69.07065	7.5
70.22005	3.8
71.04980	2.1
79.05044	1.6
79.05484	16.6
81.03454	0.9
81.07048	16.9
83.04955	1.2
83.08609	9.1
85.06536	3.0
91.05473	33.2
93.07036	13.5
95.04936	3.9
95.08595	9.6
97.06533	2.4
97.10144	3.8
98.97591	1.2
103.05432	2.7
105.07023	31.7
107.04942	3.1
107.08572	7.7
109.06501	4.0
109.10137	3.3
115.05426	5.2
116.06236	4.9
117.07005	32.9
119.04898	1.0
119.08569	22.0
121.06470	2.6
121.10118	3.6
123.08024	3.3
125.09588	1.9
128.06207	7.8
129.06999	19.4
130.07784	9.1
131.08557	55.1
133.06453	4.5
133.10130	7.2
135.08051	4.3
135.11671	1.6
137.09596	1.1
140.02010	1.0
141.06975	4.0
142.07771	3.2
143.08548	34.8
144.09282	3.7
145.06473	1.3
145.10109	58.8
146.97353	1.0
147.08043	13.6
147.11639	2.2
148.05630	0.9
149.09598	2.4
155.08553	3.2
157.10115	17.7
158.10811	1.4
159.08054	7.1
159.11681	18.8
161.09583	9.3
163.11148	1.5
167.08517	1.9
169.10106	5.3
169.98920	1.0
171.11674	10.3
173.09616	1.9
173.13223	1.6
175.11172	4.0
181.10132	4.0
183.11676	3.8
185.09669	1.5
185.13263	3.6
187.11163	1.3
189.12666	1.1
191.10559	0.9
195.11681	6.3
197.13268	0.9
199.11179	2.5
201.12733	2.5
209.13226	1.7
211.14854	1.1
213.12732	1.2
213.16307	1.7
217.15878	3.6
219.84099	0.9
227.17847	4.2
232.92813	1.0
237.16339	9.8
245.19032	2.4
255.17429	14.3
273.18469	100.0
274.18848	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1847
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03948	1.7
54.56784	1.3
55.05494	5.8
56.96536	1.8
57.07067	3.3
59.04987	1.3
65.03933	2.4
67.05504	7.8
69.07064	11.0
69.71184	6.1
69.71600	3.6
71.04998	2.4
79.05481	8.7
80.36018	1.3
81.07054	14.6
83.04948	1.4
83.08599	4.9
85.06535	3.9
91.05463	14.6
93.07031	13.6
95.04948	4.4
95.08599	7.9
97.06490	2.0
98.20799	1.7
98.97572	5.7
105.07021	20.8
107.04938	3.8
107.08579	16.1
108.05267	1.8
109.06509	15.3
109.10139	6.1
111.08093	2.4
115.05429	2.8
116.98589	3.8
117.07011	8.6
119.08569	24.1
121.06523	1.4
121.10114	11.7
123.08047	3.7
123.11667	2.3
128.06230	4.9
129.06978	7.2
130.07750	3.5
131.08557	15.3
133.06500	11.5
133.10112	11.1
135.01141	1.4
135.08046	6.6
135.11705	3.2
141.06970	5.4
142.07747	8.6
143.08537	19.3
144.09291	2.2
145.10107	22.3
146.97462	2.1
147.08034	4.3
147.11685	9.9
149.09607	4.0
151.07524	1.8
153.06905	2.1
154.07722	2.5
155.08557	12.2
156.09338	15.1
157.10115	25.8
157.11310	2.6
158.07167	1.5
158.10841	2.3
159.08051	3.3
159.11690	10.2
161.09634	5.6
161.13136	1.7
165.07069	4.0
166.07838	3.1
167.08546	7.3
169.10126	19.5
170.10913	4.8
171.11678	26.1
172.12492	2.4
173.09615	15.8
173.13223	8.1
174.10420	2.5
175.11136	10.5
177.00734	1.9
179.08563	2.4
179.61722	1.5
180.09436	1.5
181.10132	10.2
182.10889	11.3
183.11717	9.4
185.09593	3.1
185.13245	7.8
187.11226	2.3
187.14778	2.4
189.12729	12.6
193.10168	3.5
194.10933	1.9
195.09996	2.2
195.11638	8.3
196.12495	4.6
197.11462	2.9
197.13246	37.2
198.08856	3.4
198.13989	2.9
199.09526	6.8
199.11214	15.1
200.10199	9.7
200.11803	1.3
201.11046	1.8
201.12685	1.8
206.24805	1.3
207.11720	4.2
207.29344	1.2
209.13242	3.2
211.14796	17.9
212.10504	5.5
212.15587	10.8
213.11040	17.4
213.12822	4.9
213.16362	24.4
214.11789	2.7
215.14264	7.6
217.12283	4.0
222.14046	4.1
225.12730	5.4
227.12506	5.2
227.14491	9.4
227.17793	1.9
229.15901	9.8
230.16701	1.8
231.17436	4.2
237.16380	8.2
240.15028	7.1
255.12158	5.9
255.17400	51.6
255.20081	3.0
257.10529	2.5
258.10779	20.4
273.13165	100.0
273.18420	84.5
273.25885	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	273.1192
Annotation	Fumarylcarboxamido-L-2,3-diaminopropionyl-L-alanine
Peak:m/z	Relative Intensity
52.71312	0.3
54.30782	0.3
56.96565	0.8
57.03449	0.6
60.05657	0.3
61.02924	1.4
64.64330	0.4
69.03421	1.9
70.06589	100.0
70.29096	1.2
71.04995	2.3
71.06922	1.5
72.08157	1.2
73.02911	1.8
81.03416	0.9
85.02896	3.9
87.05602	0.6
88.03992	1.6
88.07605	0.4
91.03931	0.4
91.54763	0.4
95.06094	0.7
97.02897	1.2
98.03538	18.2
98.97588	1.1
99.04453	0.4
101.00907	0.5
107.04971	1.2
109.02908	0.4
109.26859	0.3
112.05082	1.8
116.07085	23.3
116.98636	0.6
117.07426	0.4
119.01929	1.1
127.03927	1.2
129.09856	0.4
131.01862	0.4
133.06433	0.4
136.08661	0.5
138.03435	0.6
140.04524	5.1
141.06525	0.4
142.03491	0.4
143.01909	1.7
145.03401	0.5
145.04980	0.4
147.03983	0.4
150.06631	2.0
152.08206	0.8
155.01860	0.9
157.03481	0.5
158.05605	22.9
161.02924	2.6
162.04489	0.4
164.08194	8.2
168.07730	0.8
173.02977	1.4
174.04526	0.6
182.09283	0.5
183.05042	1.2
185.02963	0.6
191.04120	0.4
192.05576	0.8
192.07301	0.4
192.55774	0.4
196.07167	2.7
201.06131	0.3
203.03992	1.1
210.08730	18.4
212.10251	0.4
213.09908	0.4
214.08273	0.6
215.04004	0.6
219.01790	0.4
221.05037	0.8
227.11359	0.6
228.09787	3.3
238.08096	0.7
239.06203	0.7
245.04919	0.4
255.10843	2.2
256.09241	3.3
263.06091	2.9
273.11899	38.5
275.06067	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.7
56.05022	1.3
56.96547	3.9
60.36285	1.4
64.84225	1.0
67.05494	2.0
68.05017	1.9
69.03416	2.0
70.02946	1.3
70.06590	100.0
71.04983	1.8
71.06913	1.0
71.58621	1.6
72.08179	2.5
74.02439	33.3
75.03227	1.6
79.05475	3.6
80.05013	4.2
83.06069	1.9
84.04498	1.8
84.08116	3.7
85.02914	1.6
86.09686	1.4
88.03981	2.2
91.05460	5.1
93.00226	1.0
93.07054	1.1
94.06527	1.8
95.04964	2.6
95.06085	2.1
96.04475	2.6
98.03544	17.5
98.06079	1.5
98.42587	1.2
98.97577	3.3
105.06961	1.1
106.06541	5.9
107.04948	6.5
108.04500	1.4
108.08100	1.5
109.06488	2.4
110.06027	5.4
110.07165	2.7
111.07498	2.4
112.05035	1.3
116.07089	22.8
116.98595	2.5
118.06546	5.9
119.04897	1.9
120.04462	1.4
120.08104	1.5
122.06026	3.7
123.04449	1.8
125.06057	1.0
125.07113	3.6
129.10243	1.3
130.06508	3.7
132.04460	1.6
133.07576	4.1
134.06003	6.9
134.99664	1.4
136.07585	3.6
140.04553	5.5
143.08145	1.5
145.07567	4.5
146.05997	5.1
148.07556	3.3
150.05510	2.2
152.07065	4.1
152.08194	1.4
155.05777	4.4
157.07613	1.3
158.05600	22.3
163.08591	1.5
164.07030	2.6
164.08212	5.9
175.08650	2.9
176.07047	1.2
178.07428	1.7
180.06546	1.6
191.08183	6.2
192.06462	1.7
198.07620	1.8
209.09192	4.9
210.08746	16.0
228.09798	3.8
237.08604	2.7
255.09671	7.3
256.09088	3.5
273.09445	13.1
273.11829	34.7
273.16541	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	273.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11570	0.9
55.01866	1.3
56.05030	1.4
56.96569	6.6
57.03436	4.8
61.02930	5.7
65.03931	3.0
69.03429	9.7
69.07059	1.4
70.03759	1.7
70.06593	100.0
70.51180	3.4
71.04975	4.6
71.06915	1.6
72.08138	3.3
72.84639	0.8
73.02917	11.4
79.05466	1.1
81.03414	3.2
81.04557	0.8
81.07028	2.0
82.07389	1.1
83.00771	1.1
83.06104	2.9
84.04493	2.9
84.08158	6.1
84.96047	1.4
85.02911	15.5
85.04856	1.5
86.03235	2.3
86.09709	3.2
87.04481	1.1
87.05597	1.5
88.03978	2.9
88.93378	0.9
91.03962	1.2
92.05006	19.8
93.04636	1.6
93.05320	16.2
93.05823	1.5
94.04831	1.0
94.06575	2.8
95.00755	1.5
95.06092	4.3
95.06883	2.7
96.06416	2.5
97.02882	7.7
98.02542	0.8
98.03016	1.3
98.03557	19.8
98.06046	1.2
98.97578	10.4
99.04443	1.7
101.00861	1.1
101.02395	1.3
102.01563	1.0
102.05544	1.7
103.05862	0.9
104.01295	2.2
107.04949	18.1
108.05289	19.4
109.02867	1.4
110.01265	2.1
110.03258	1.0
110.06039	24.1
110.07159	15.8
110.97575	2.1
111.04431	1.0
111.05628	3.0
111.06373	23.4
111.07484	9.2
112.05063	1.1
112.08725	2.6
115.02297	0.9
115.08660	0.9
116.07086	20.9
116.98623	7.1
117.02125	1.0
119.01854	9.6
121.01611	1.2
123.04465	2.6
123.05521	2.0
124.04759	3.2
126.12788	3.0
127.03936	2.6
128.02322	4.0
128.98595	4.0
129.10284	1.4
130.04991	4.5
131.01874	3.4
131.05374	3.3
132.03438	0.9
132.06519	1.1
133.03442	3.4
134.02351	2.1
134.08025	1.0
134.99673	2.1
140.02307	1.8
140.04568	6.7
141.06595	2.7
143.01834	1.9
143.02831	5.9
145.01624	1.1
145.03418	1.8
145.05022	1.4
146.02255	1.6
146.99596	4.2
147.05049	1.5
148.06035	4.2
149.02855	1.4
149.06470	4.4
150.06633	1.6
150.11040	0.9
153.07449	0.9
155.02850	3.7
156.07661	1.5
157.03519	1.1
158.05614	19.5
158.09233	3.7
158.99704	3.1
159.07610	1.1
161.01241	1.7
161.02890	2.7
163.02824	1.6
163.04523	2.6
164.08224	6.5
165.00693	2.2
166.07117	4.7
167.07498	2.7
168.07697	1.5
170.03403	2.0
170.53534	1.3
170.99626	1.2
173.01341	1.1
173.02966	2.5
174.83461	1.0
175.02829	1.3
176.03384	2.0
177.00761	3.2
182.03258	1.1
182.53555	2.0
183.01956	0.9
183.05093	1.1
185.03918	4.1
189.00655	4.3
189.06070	1.2
191.03960	2.5
191.54138	3.8
192.03947	1.3
193.00249	1.9
196.07190	3.6
200.04405	1.8
200.54672	2.7
201.00769	1.6
203.03964	1.6
206.04456	2.6
207.01779	1.6
209.14745	2.6
209.55052	1.1
210.08731	15.8
214.08279	2.1
219.01733	1.8
227.15836	4.1
228.09854	1.8
237.02963	2.7
249.02748	1.2
249.55307	1.0
251.04364	1.2
255.10672	2.4
255.13203	2.3
255.15341	2.9
256.09241	2.9
272.56747	1.1
273.11871	39.9
273.16455	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	273.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02603	0.6
55.01865	2.1
56.96547	1.1
57.03425	4.0
61.02920	9.3
63.10400	0.5
68.05016	0.8
69.03424	7.8
70.06584	100.0
70.39014	1.8
70.39426	1.1
70.43301	0.5
71.04977	3.2
71.06915	1.0
72.08152	1.3
73.02916	13.8
81.03413	3.5
84.26286	0.6
85.02896	20.3
88.02667	0.6
88.03990	2.3
91.03976	3.4
94.02614	0.7
97.02887	10.4
98.03531	19.5
98.97554	1.4
99.04433	1.7
101.00873	2.1
101.02325	0.7
102.02401	0.9
103.02399	0.6
106.38938	0.6
107.04937	1.5
109.02904	1.8
111.02935	1.1
112.05053	1.3
113.00880	0.9
115.91393	0.6
116.07082	24.1
119.01906	5.1
121.01691	0.6
123.02903	0.7
127.02464	0.7
127.03907	7.2
129.02895	0.7
131.01904	3.6
132.03441	1.5
135.02902	0.6
136.03719	0.6
137.02980	0.9
138.03448	2.1
140.04515	6.1
141.03920	0.8
143.01886	13.2
143.03009	0.6
144.01999	0.8
144.03430	1.2
145.03427	2.4
145.04927	2.1
147.03902	3.7
147.54048	0.8
149.02940	0.7
150.05540	0.8
150.06624	2.6
153.03993	3.5
153.54134	1.0
155.01822	4.6
156.02171	0.7
156.04480	2.2
157.03459	2.6
158.05595	28.1
158.09251	0.7
161.02936	15.4
162.03040	1.7
162.04491	2.6
163.04515	0.6
164.08171	6.1
165.03929	0.9
167.01845	0.7
168.07686	1.1
173.02953	10.4
174.03122	1.1
174.04482	4.3
174.54553	1.1
175.04449	0.7
179.03726	0.8
183.05000	11.5
183.55101	2.3
185.02908	4.9
191.03923	1.8
192.05524	7.4
192.55663	1.2
196.07178	2.6
201.06052	1.3
203.03989	9.3
203.07655	0.7
203.56425	0.7
204.04105	1.5
210.08722	18.7
215.04042	1.3
221.05083	3.8
221.06946	0.7
227.04066	0.7
228.09731	3.6
233.05016	2.3
237.02818	0.7
239.06061	5.7
240.06119	0.6
245.05042	4.4
246.05247	0.6
255.10881	1.5
256.09271	3.2
257.05145	0.7
263.06088	17.9
264.06305	2.3
273.11859	35.3
275.06082	3.6
287.06012	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.7
56.96572	8.6
61.02908	2.1
69.03415	2.1
69.07056	1.8
70.06590	100.0
71.04993	3.0
71.06908	2.5
71.58765	2.1
72.08146	3.9
72.93797	1.9
81.07041	1.9
84.04501	2.7
84.08131	4.7
85.02892	3.6
86.09682	3.4
86.64534	1.4
88.03996	2.7
90.94803	2.3
91.05457	1.8
98.03536	13.1
98.97543	3.8
107.04962	9.9
112.05128	1.7
116.06328	2.0
116.07088	23.8
116.98632	5.0
119.01876	2.1
122.07137	2.9
129.10255	2.2
133.39287	1.7
134.99652	6.2
140.04526	5.2
146.99649	1.6
147.97406	1.4
150.05486	3.3
157.04684	2.7
158.05603	24.2
161.01198	2.7
164.08151	7.5
167.09261	3.7
169.99010	2.4
175.05673	1.7
186.21428	1.4
196.07162	2.8
210.08800	14.3
211.09438	6.3
228.09793	2.1
242.09875	2.4
255.18085	3.3
256.09296	3.5
273.09393	75.7
273.11981	36.8
273.18835	2.7
274.09799	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01866	1.1
55.05506	7.7
56.05031	4.8
56.96557	2.0
58.06591	3.7
60.04515	1.9
62.06084	12.3
66.55984	0.8
67.05171	0.7
67.05502	8.2
69.07057	3.4
69.76318	4.9
70.06588	11.5
71.04977	2.7
72.04510	18.3
72.08144	2.5
74.06071	1.4
79.05492	9.8
80.05006	2.7
81.03403	4.7
81.07053	13.8
82.00684	0.7
82.06579	4.3
83.04967	3.0
83.08610	2.9
84.08128	2.3
85.05277	1.6
85.06530	0.8
86.06058	2.3
88.07626	4.6
91.05471	5.4
93.07032	7.4
94.06570	3.2
95.04945	2.5
95.08592	7.2
96.08125	1.9
97.06516	4.0
97.10162	1.7
98.06054	6.7
100.03992	0.8
100.07610	9.2
105.07032	3.4
107.04945	9.7
107.08595	3.8
108.08061	0.9
109.10128	1.4
110.09662	1.0
111.08073	1.5
112.07602	2.8
114.05537	1.8
114.09137	1.5
116.07086	5.8
117.07084	0.8
117.69697	0.7
119.08568	1.4
120.08101	9.9
121.06457	1.0
121.10119	2.8
123.08073	1.4
124.07558	3.1
126.09113	0.8
129.06984	1.4
131.08534	2.1
133.10120	2.0
135.11673	0.9
138.12784	3.5
142.42786	0.6
147.11678	2.2
149.09624	2.4
150.80540	0.7
157.10097	1.1
158.99646	1.0
166.08630	5.0
166.12202	0.8
174.99158	1.0
175.11201	1.6
182.15382	5.6
184.13255	1.2
192.13849	2.4
193.00168	1.4
193.12245	5.6
195.13806	2.4
198.14859	1.5
198.99873	0.7
208.16927	1.0
210.14874	38.6
211.13266	13.5
226.18053	4.8
228.15935	90.1
229.16153	1.1
236.16472	2.4
244.19035	5.5
248.99265	1.2
254.17499	17.4
272.18552	100.0
273.18481	2.7
286.11740	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	61.5
57.07071	59.9
57.15906	7.8
58.06604	9.1
67.05492	17.9
69.07056	100.0
71.08638	20.2
71.58735	15.1
79.05497	9.9
81.07058	27.0
83.08625	65.3
86.06085	12.2
93.07027	18.4
95.08601	18.5
97.06503	12.7
97.10147	49.5
100.07604	12.7
105.06990	8.1
107.04967	13.9
109.10194	10.4
111.11729	12.0
114.09145	14.3
121.10192	8.3
143.62616	9.1
181.80768	8.6
186.00684	9.7
186.48026	8.9
219.21080	19.8
247.27673	9.5
254.10236	12.3
254.24763	17.7
272.11301	38.0
272.25882	55.4
275.29071	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	272.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	0.2
51.18623	0.2
54.72610	0.2
56.96511	0.2
57.07075	2.5
59.70201	0.2
62.06065	0.4
65.03929	1.5
65.34979	0.2
67.05486	0.2
69.07060	1.1
71.59171	0.3
77.54723	0.2
79.69879	0.2
81.07049	0.5
91.01292	0.6
91.05470	100.0
91.62968	0.2
92.05813	0.6
95.04941	0.2
95.08613	0.4
98.03540	0.4
122.95113	0.2
131.30591	0.3
134.99614	0.2
142.82953	0.2
161.07045	0.3
176.04028	0.3
176.08174	13.6
188.08182	6.1
189.32809	0.2
202.94028	0.5
213.07317	0.4
244.14473	5.4
254.24837	0.6
272.06058	0.5
272.13293	0.3
272.26077	0.5
272.29510	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14097	0.6
52.92503	0.5
54.49114	0.6
55.05511	2.1
56.05038	1.7
56.96559	1.3
57.03447	1.1
60.04513	1.2
60.05642	2.8
68.05035	1.3
69.03437	1.2
69.25086	0.6
69.52103	0.6
70.02966	0.6
70.06593	54.7
71.04987	1.3
71.06889	0.7
71.08620	0.5
71.51763	0.7
72.08154	5.5
73.02924	0.8
74.06071	0.6
79.05498	2.7
81.03423	1.0
81.04533	1.1
81.07065	8.6
82.05320	2.0
83.06100	11.0
84.04496	3.4
84.08146	7.8
85.02888	2.0
86.09722	4.4
93.04529	7.7
95.05101	0.8
95.06091	16.2
97.02871	1.6
97.04018	0.8
97.07652	0.8
98.02457	0.6
98.03538	6.7
98.06034	0.9
98.97575	1.6
107.04961	8.6
110.07164	100.0
111.05563	2.2
112.03997	0.6
112.05094	0.9
112.08736	5.1
113.06015	0.6
114.05479	0.6
115.08685	0.7
116.07094	9.4
116.98610	0.7
123.06617	0.6
129.10207	1.9
130.04988	1.6
136.08672	0.9
138.06656	0.7
139.05035	1.1
139.06114	2.3
140.04539	3.6
140.08150	0.9
146.05927	0.7
147.04382	1.4
147.23137	0.6
148.06035	0.9
150.06685	0.9
156.07686	11.0
157.07205	6.1
158.05602	3.6
158.09250	0.8
163.12282	7.2
164.08173	2.4
166.07155	0.6
168.07623	0.6
175.11870	3.3
177.00677	1.0
190.13373	3.4
193.13332	1.5
194.60583	0.5
195.11208	0.7
196.07045	0.9
197.95978	0.6
198.13586	1.3
208.14438	12.3
209.10269	1.8
210.08786	3.6
210.10545	0.7
210.16074	1.0
211.14368	1.2
213.12320	0.9
226.15504	18.9
227.13840	1.2
228.17090	1.1
237.02730	0.7
240.17107	1.1
254.14969	14.2
255.10786	0.8
272.11078	2.5
272.13470	5.7
272.16010	64.3
273.11987	4.9
273.16214	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
54.18486	0.4
55.00608	0.3
55.01873	0.5
57.03424	1.5
60.05646	6.0
61.02922	1.4
66.96889	0.4
68.05008	0.9
69.03434	2.8
69.40583	0.3
69.51979	1.9
69.52409	1.6
70.02953	0.9
70.06591	100.0
71.04987	1.6
72.08153	1.8
73.02912	3.0
81.03411	1.2
85.02904	5.7
87.04426	0.7
87.05606	2.3
88.03993	0.7
88.82363	0.5
95.06118	0.9
97.02887	3.0
97.07666	0.6
98.02528	2.0
98.03535	17.2
98.06059	0.9
98.20758	0.8
98.97602	0.8
99.04443	0.7
101.00874	0.9
105.33174	0.5
106.74910	0.4
110.07159	2.1
112.05051	2.5
112.08742	1.7
113.00916	0.5
113.07161	0.5
115.08659	0.5
116.07090	23.6
116.66660	0.4
116.98599	0.8
119.01900	2.2
127.03918	2.3
129.07736	1.7
130.09792	0.5
131.01883	2.0
140.04544	12.8
140.05571	0.8
143.01865	3.6
145.03517	0.6
145.04959	0.7
147.03970	1.2
149.02948	0.6
150.06590	2.1
152.08189	0.7
153.03987	0.5
155.01906	2.1
156.07690	0.5
157.07208	30.9
158.05609	4.1
158.09259	1.3
158.99585	0.4
161.02963	5.3
162.04417	0.5
164.08200	9.2
164.09578	0.6
168.07692	1.3
173.02968	4.2
174.04538	1.0
175.11934	2.0
177.00761	0.5
183.05049	1.9
185.02930	2.2
191.03906	1.2
192.05551	2.1
192.07579	0.5
196.07161	3.0
203.04028	3.0
209.10329	9.6
210.08704	4.9
213.09877	2.0
213.12300	0.6
219.01718	0.5
227.11375	2.7
228.09796	0.4
233.05167	0.5
238.08218	0.6
241.52707	0.4
245.05048	1.2
254.12538	1.1
255.10892	2.6
263.06213	1.5
272.11331	1.2
272.13550	30.8
272.17075	3.9
273.11847	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	272.1279
Annotation	Carbazomycin C
Peak:m/z	Relative Intensity
56.31575	0.3
71.04820	0.3
71.05151	0.5
79.05495	0.5
91.05434	0.3
95.04922	0.3
105.07058	0.6
106.06573	0.4
107.04945	4.2
107.07320	0.3
117.05757	0.3
120.08068	0.8
124.07562	0.3
130.46822	0.3
131.04874	0.5
132.08098	0.8
133.08850	0.9
136.07565	0.6
140.72411	0.3
149.15083	0.3
153.06975	0.3
157.06378	0.5
159.06886	0.3
165.06966	0.3
166.08652	0.5
167.08537	0.4
169.06396	0.3
170.09515	0.3
172.07643	0.3
180.08058	0.3
181.08830	0.6
182.09573	0.3
183.06705	0.6
184.07549	0.9
184.11093	0.4
194.09589	0.7
195.08092	0.6
195.10408	0.7
196.07552	1.0
196.11230	2.3
197.08333	4.2
198.09131	9.7
199.09906	12.2
200.10646	2.1
208.11192	0.6
210.09140	1.6
211.09842	3.6
212.10686	22.8
213.11479	4.7
226.12256	6.1
239.09410	1.0
243.17686	0.3
245.84152	0.3
254.11740	5.8
257.10452	24.7
258.10947	0.3
259.62003	0.3
272.12781	100.0
273.13104	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39254	0.7
55.01865	0.7
55.05497	2.4
56.05023	1.4
58.06586	1.6
62.06090	3.6
64.57282	0.6
65.67926	0.6
67.05491	1.8
69.03403	0.6
69.07045	1.0
70.06578	3.9
70.95741	1.9
72.04501	2.8
74.06107	0.6
77.03387	0.8
77.03922	0.7
79.05492	3.7
80.05018	1.4
81.03405	1.8
81.07034	4.3
82.06558	1.0
83.04977	1.1
86.06831	0.6
88.07581	1.6
91.05478	2.3
91.50012	0.7
93.07034	2.7
95.04960	2.8
95.08591	2.4
96.08109	1.2
97.06524	0.9
98.06041	2.0
98.21481	0.8
100.07610	2.2
103.05467	4.9
105.06982	1.6
107.04944	86.4
108.05272	0.8
112.07568	0.6
116.07091	1.8
119.08551	1.1
120.08095	100.0
121.08416	1.0
121.10079	1.6
131.04915	2.0
149.05951	2.0
166.08624	51.2
182.15331	1.4
193.12245	1.3
210.14848	10.8
210.16713	1.1
211.13287	2.5
212.10701	0.8
226.17984	1.1
227.05894	0.7
228.15932	23.3
236.16553	1.6
244.19121	1.1
254.17621	3.8
272.12836	2.8
272.18542	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49147	0.2
69.54955	1.1
69.55375	0.4
79.05476	0.5
81.41629	0.2
83.48186	0.2
91.05463	0.5
93.07042	0.2
95.04919	0.2
98.20807	0.2
105.07028	0.7
106.06561	0.6
107.04952	3.9
120.08075	0.7
123.18260	0.2
124.07605	0.4
131.04921	0.2
132.08090	0.7
133.08871	0.6
134.09637	0.4
136.07549	0.8
153.01830	0.2
157.06422	0.4
159.06773	0.4
160.07590	0.3
161.08241	0.3
166.08672	0.6
167.08611	0.2
168.08049	0.3
170.09619	0.3
171.08029	0.4
172.07518	0.3
180.08072	0.8
181.08810	0.3
182.09608	0.5
183.06805	0.7
184.07552	0.8
184.11217	0.4
185.08246	0.4
194.07359	0.2
194.09659	0.6
195.07988	0.5
195.10446	0.8
196.07565	1.1
196.11201	2.8
197.08327	4.1
198.09134	9.2
199.09909	11.1
200.10664	2.3
208.11197	0.5
210.09155	1.4
211.09897	3.3
212.10684	24.4
213.11449	4.9
224.10680	0.4
226.12247	6.5
239.09470	1.2
254.11731	5.7
257.10455	25.7
258.10785	0.4
272.12781	100.0
273.13144	1.6
292.24686	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1279
Annotation	Carbazomycin C
Peak:m/z	Relative Intensity
56.96546	0.2
61.72024	0.2
68.69273	0.2
69.83482	0.7
69.83900	0.3
77.03941	0.2
79.05485	0.3
83.21333	0.2
91.05479	0.7
98.97570	0.3
105.07027	0.4
106.06528	0.5
107.04950	4.6
108.08109	0.2
117.05774	0.4
118.06545	0.3
120.04470	0.2
120.08079	0.7
124.07653	0.3
128.06223	0.2
132.08096	0.9
133.06479	0.2
133.08871	0.7
134.09662	0.4
136.07574	0.7
145.06473	0.3
150.09128	0.3
153.06984	0.3
157.06487	0.4
159.06779	0.3
161.08340	0.3
165.06970	0.2
166.08650	0.5
167.08545	0.4
168.08055	0.3
169.06517	0.2
170.09689	0.4
171.08057	0.5
172.07564	0.3
172.08908	0.2
180.08066	0.6
181.06471	0.3
181.08916	0.3
182.09639	0.5
183.06760	0.7
184.07602	1.0
184.11208	0.6
185.08357	0.3
186.09106	0.2
194.07213	0.2
194.09682	0.7
195.07996	0.4
195.10455	0.6
196.07553	1.3
196.11221	2.8
197.08351	4.2
198.09138	9.2
199.09909	11.7
200.10689	2.1
208.11172	0.4
209.12015	0.2
210.09109	1.7
211.09895	4.0
211.11778	0.3
212.10690	24.7
213.11459	5.3
224.10687	0.5
226.12248	7.2
227.12679	0.3
239.09436	1.3
254.11763	6.1
257.10458	25.7
258.10889	0.6
272.12787	100.0
273.13135	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1279
Annotation	Carbazomycin C
Peak:m/z	Relative Intensity
50.38584	0.3
60.12339	0.4
70.66227	1.1
82.04673	0.3
91.05433	0.4
93.06999	0.5
105.07030	0.6
106.06509	0.4
107.04954	4.7
110.06013	0.7
120.08047	0.5
124.07598	0.3
132.08104	0.5
133.08849	0.9
134.09650	0.4
136.07565	0.8
172.07529	0.7
172.08929	0.4
179.25725	0.4
180.08078	0.5
181.06270	0.4
181.08861	0.6
182.09602	0.4
183.06721	1.1
184.07541	1.0
184.11230	0.6
194.09679	0.4
195.10437	0.9
196.07530	1.6
196.11162	2.6
197.08336	4.1
198.09111	8.6
199.09908	11.2
200.10692	2.3
210.09068	1.3
211.09872	3.5
212.10680	22.2
213.11423	4.5
226.12233	6.7
239.09389	1.6
254.11731	5.8
257.10446	25.9
272.12772	100.0
273.13153	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1276
Annotation	Carbazomycin C
Peak:m/z	Relative Intensity
56.87003	0.2
65.02444	0.2
79.05494	0.6
83.85287	0.2
95.04948	0.2
97.62775	0.2
100.12367	0.2
105.07029	0.4
106.06575	0.4
107.04937	4.0
107.05595	0.3
118.06519	0.3
120.08119	0.8
132.08080	0.8
133.08844	0.4
134.09651	0.3
136.07584	0.6
155.37823	0.2
157.06531	0.3
160.07568	0.3
161.08385	0.2
165.06958	0.3
166.08644	0.4
167.08566	0.2
169.06502	0.3
170.09732	0.4
172.07481	0.3
178.08633	0.2
180.08023	0.5
181.08914	0.3
182.09712	0.5
183.06738	0.5
184.07584	0.6
184.11218	0.4
185.08357	0.4
186.09193	0.2
189.94701	0.2
194.07178	0.2
194.09657	0.6
195.07942	0.3
195.10426	0.6
196.07574	0.9
196.11176	2.4
197.08322	3.9
198.09125	8.9
199.09903	11.4
200.10681	2.3
208.11261	0.3
210.09068	1.4
211.09926	3.1
211.95490	0.2
212.10677	24.2
213.11446	5.2
224.10773	0.3
225.11591	0.2
226.09863	0.3
226.12228	6.5
230.11649	0.2
239.09351	1.1
254.11746	6.8
257.10440	26.2
258.10785	0.4
264.93698	0.2
272.12772	100.0
273.12930	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2632
Annotation	Isoamyl laurate
Peak:m/z	Relative Intensity
52.54738	8.0
55.05506	29.3
57.07079	90.9
60.66811	8.5
67.05494	10.3
69.07053	27.2
70.49418	17.8
70.49801	19.1
71.04966	17.2
71.08631	46.6
73.06531	16.4
81.07054	10.7
83.08611	20.6
85.10170	11.1
94.54110	10.2
95.08624	15.2
103.07580	40.6
107.04901	12.8
110.07151	12.4
117.09138	20.1
218.08073	10.5
271.26212	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1127
Annotation	Deidaclin
Peak:m/z	Relative Intensity
55.05508	0.8
56.05023	0.8
56.96553	1.5
57.03419	0.7
60.04523	0.9
61.02903	1.4
63.98798	0.5
65.03932	5.1
67.05452	0.7
68.05029	0.5
69.03428	3.0
70.06583	2.1
70.07953	2.6
73.02898	1.7
74.06078	0.7
76.96004	0.4
79.05467	1.2
80.05003	0.6
81.03410	0.6
81.07041	2.4
83.06083	2.7
84.04495	1.5
85.02897	8.0
86.06061	0.7
86.09696	0.8
89.38718	0.5
92.04998	58.0
93.04535	1.7
93.05310	0.7
93.05786	4.9
94.06558	8.4
95.04980	0.6
95.06075	3.7
97.02877	2.8
98.21506	0.6
98.97572	1.3
102.05540	2.7
107.04945	30.6
109.02883	0.8
110.06034	100.0
110.07142	23.0
111.02186	0.6
111.04475	0.6
111.06362	1.0
112.08724	0.9
116.07093	0.9
116.98631	0.6
123.04417	6.0
127.03912	2.2
130.04971	5.3
132.06567	3.0
134.08087	1.3
136.67894	0.5
139.03874	1.2
139.06129	0.9
145.05003	0.9
148.06033	9.0
149.10733	1.2
150.07593	1.6
152.07071	3.0
156.07632	3.1
158.99706	0.9
162.30724	0.6
163.12314	1.8
166.07100	10.7
176.07047	0.5
177.00638	0.7
191.03908	1.0
208.14395	3.0
211.14473	0.5
212.09171	0.7
219.01866	0.7
226.15511	6.2
236.09222	0.9
243.13086	0.6
254.10181	4.0
254.14951	5.0
272.11313	35.6
272.15967	27.8
273.11838	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83617	0.2
55.43643	0.1
67.05483	0.2
69.07052	0.2
71.19039	0.3
77.03953	0.2
79.05477	0.6
80.05028	0.3
83.32441	0.1
87.10593	0.2
91.05464	0.5
91.23298	0.2
95.04974	0.2
95.08556	0.3
104.04991	0.2
105.07006	0.4
106.06512	0.4
107.04939	4.1
107.07342	0.2
117.05749	0.4
118.06497	0.3
120.04486	0.4
120.08068	0.9
124.07568	0.4
124.67707	0.2
128.06158	0.2
131.04953	0.3
132.08063	0.9
133.08821	0.5
134.09683	0.3
136.07561	0.7
144.08133	0.2
145.06409	0.2
150.09087	0.2
157.06485	0.3
159.06825	0.2
160.07559	0.2
165.06949	0.2
166.08698	0.3
167.08556	0.3
169.08841	0.2
170.09677	0.4
171.08005	0.4
172.07530	0.3
178.08592	0.2
180.08066	0.4
181.06331	0.3
181.08868	0.3
182.09669	0.4
183.06812	0.6
183.10339	0.2
184.07556	0.7
184.11208	0.7
185.08331	0.4
186.09232	0.2
194.07213	0.3
194.09554	0.9
195.08060	0.5
195.10410	0.5
196.07576	1.3
196.09363	0.2
196.11194	2.5
197.08345	3.5
198.09114	9.1
199.09900	11.2
200.10683	1.9
202.62215	0.2
208.11235	0.3
209.11923	0.2
210.09096	1.7
210.12779	0.2
210.88916	0.2
211.09892	3.4
212.10675	23.1
213.11430	5.1
225.11491	0.3
226.12238	5.3
236.10599	0.2
239.09381	1.2
254.09674	0.1
254.11737	6.1
257.10440	25.0
258.10858	0.4
272.12772	100.0
273.13156	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80689	1.3
55.05516	11.0
57.03439	2.1
57.07071	3.9
67.05514	20.7
69.07074	21.0
69.94414	3.0
69.94811	2.7
79.05502	13.8
81.06580	2.8
81.07056	46.2
82.07384	1.8
83.08614	6.7
91.05487	12.0
93.07054	21.4
94.81991	1.3
95.08614	41.8
97.10144	1.9
105.07045	24.4
107.04939	3.7
107.08602	30.2
107.38078	1.2
109.09457	2.2
109.10163	25.1
115.39984	1.2
117.07013	6.1
119.06029	1.3
119.07793	2.3
119.08588	28.2
120.05675	1.5
121.10146	22.0
123.11723	13.0
129.07054	2.6
131.04929	4.1
131.08565	10.6
133.10144	13.3
135.11681	11.9
137.13240	3.7
143.08539	2.0
145.06474	1.6
145.10124	17.4
147.08054	2.1
147.11711	19.0
149.13274	17.0
157.10165	2.9
159.08034	5.3
159.11725	18.5
160.12224	1.7
161.13246	21.2
163.14853	11.8
171.11662	1.4
173.09818	1.4
173.13248	12.7
175.14822	14.7
176.12538	1.6
177.16412	4.4
185.09505	1.6
187.14844	13.9
189.16400	5.8
201.16447	15.5
203.17943	2.3
215.17960	23.6
229.19507	5.2
232.56522	1.6
239.05252	3.3
254.24811	2.3
271.17096	4.9
271.24219	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2422
Annotation	Axerophthene
Peak:m/z	Relative Intensity
53.03931	1.7
55.05507	12.5
55.06778	1.6
57.07065	4.9
67.05503	22.6
69.07073	22.6
70.01728	8.2
71.08645	1.9
79.05499	11.2
81.07062	41.0
82.07400	2.7
83.08617	7.0
91.05486	12.4
92.01057	1.4
93.07047	27.9
95.08608	34.7
97.10179	3.5
98.21511	2.7
105.07030	28.2
107.04945	4.9
107.08598	30.7
109.06472	1.9
109.10165	30.9
117.07009	6.5
119.08582	26.2
121.10157	22.7
123.11723	15.9
129.06993	1.5
131.04939	2.9
131.08571	12.2
133.10147	15.5
135.11690	15.3
137.13231	2.1
144.09340	2.8
145.10141	21.0
147.11716	19.2
149.13242	18.2
151.13960	1.7
157.10162	2.8
158.10884	2.4
159.08047	3.3
159.11700	30.5
161.13255	17.3
163.14818	10.6
173.09729	1.8
173.13269	13.3
175.14853	12.6
177.16441	4.7
183.23886	1.6
187.14828	12.4
189.16356	6.1
201.16360	21.9
202.17101	1.9
215.17966	25.6
228.18639	1.8
229.19499	5.3
253.15778	2.1
254.24884	3.4
271.17062	6.1
271.24219	100.0
272.24521	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	271.2055
Annotation	Clathrin B
Peak:m/z	Relative Intensity
52.01948	1.7
53.03958	1.7
55.01866	2.4
55.05511	14.0
57.03431	2.2
57.07047	5.2
67.05503	23.8
69.03413	2.2
69.07065	45.3
69.47089	10.6
69.47498	3.1
71.05013	1.7
78.76260	1.6
79.05484	18.2
81.07052	25.9
82.14577	1.7
83.04967	3.4
83.08588	5.7
85.02892	2.2
88.16252	1.6
90.98444	1.5
91.05476	20.1
93.07037	24.2
95.04959	16.9
95.08600	36.8
96.66611	1.7
97.06528	13.6
97.10176	2.1
103.05465	2.0
103.51324	1.5
105.06380	2.6
105.07027	34.5
107.08586	27.2
109.06523	14.6
109.09455	2.5
109.10151	28.2
111.08069	3.5
115.05437	2.4
117.07006	9.4
119.07790	3.0
119.08575	43.0
121.06488	5.4
121.10138	20.7
123.08035	5.8
123.11720	11.4
125.66372	1.6
128.06168	2.0
129.06993	7.6
130.07777	2.3
131.04883	1.7
131.08559	18.7
133.10118	34.4
135.08012	6.0
135.11668	8.9
137.09645	2.0
141.06926	3.9
142.07741	4.9
143.08549	11.6
144.09309	3.5
145.06461	1.9
145.10103	26.7
147.08054	4.5
147.11676	20.3
148.12483	2.1
149.09576	8.5
149.13197	3.0
151.11070	1.9
155.08554	4.7
156.09274	5.4
157.10120	14.9
157.11333	2.2
158.10854	3.9
159.08047	5.9
159.11673	20.0
161.09564	4.5
161.13251	12.2
162.13976	1.6
163.11130	2.2
163.14677	2.2
167.08502	2.5
168.09331	2.2
169.10088	6.5
171.11717	10.5
171.21823	1.8
173.09573	6.9
173.13246	19.5
174.10161	1.7
175.11163	6.0
175.14812	23.7
177.12772	3.7
182.10919	2.4
183.11670	12.5
185.13261	3.5
187.11182	7.7
187.14806	12.4
188.15385	3.1
189.12766	10.6
189.16344	8.0
195.11676	2.6
197.13269	9.7
199.14760	3.2
201.12776	9.6
201.16344	3.6
202.94009	6.1
203.14270	3.0
209.13133	1.7
211.14746	4.1
213.12784	2.4
213.16345	6.0
215.14297	18.1
229.15865	3.5
243.17790	1.9
243.21048	8.5
253.19505	7.3
271.06027	9.7
271.17038	8.1
271.20532	100.0
272.20657	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	271.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
55.01852	3.5
55.05510	46.3
56.96551	2.8
57.03434	28.1
57.07064	2.0
63.56542	1.8
65.03959	3.2
67.05502	63.4
69.03422	3.0
69.07064	34.3
70.06580	3.5
70.65401	4.6
71.04996	13.3
79.05494	33.3
81.03432	2.1
81.07055	100.0
82.81059	1.6
83.04983	7.1
83.08617	23.8
85.06530	12.0
91.04908	2.6
91.05472	38.4
93.07040	31.1
95.04977	6.6
95.08603	96.9
97.06522	17.1
97.10176	6.4
98.97603	3.0
99.08085	4.5
103.05488	4.2
105.07034	21.4
107.04945	20.6
107.07996	2.1
107.08594	13.6
108.82285	1.8
109.06550	5.1
109.10140	24.6
111.08096	5.2
117.07013	3.0
118.95127	1.8
119.04961	8.1
119.08560	24.8
121.10174	5.2
123.08089	6.7
123.11726	3.4
127.07563	2.4
129.06955	2.1
131.04915	29.5
131.08601	2.8
133.06432	1.9
133.10117	30.9
135.07964	1.7
135.11720	8.2
137.09616	3.2
137.13240	6.5
143.08638	2.2
151.11179	9.6
155.08548	2.6
159.08032	15.7
161.13245	25.6
169.12082	2.1
170.17075	2.1
178.07741	1.9
179.08521	3.6
179.14325	9.6
197.09691	2.6
198.09082	2.6
207.08055	3.2
210.06732	2.9
225.09042	9.1
241.08563	7.9
253.08536	11.6
253.15877	5.8
257.10538	3.2
271.16705	5.4
271.19162	40.2
272.12866	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	271.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.6
55.01874	3.5
55.05511	40.4
57.03435	27.7
57.07076	2.9
59.75993	1.2
65.03931	2.1
67.05502	57.9
69.03425	1.7
69.07066	33.2
69.58497	1.0
69.58836	8.5
70.06573	1.6
71.04993	13.2
73.06590	1.5
77.03939	1.2
79.05058	2.1
79.05493	28.4
81.07056	88.3
83.04984	6.3
83.05393	1.1
83.08616	22.7
84.08180	1.4
85.06540	9.1
87.04490	1.3
91.05479	37.8
93.07042	25.7
93.07637	1.8
95.04997	5.1
95.08604	100.0
97.06518	15.4
97.10172	5.7
98.20763	2.4
99.08102	4.8
103.05438	5.0
105.06377	2.0
105.07029	19.1
107.04954	35.2
107.08575	8.4
109.06537	3.5
109.10153	12.2
111.08073	4.4
111.20916	1.1
117.07018	2.6
119.04940	16.8
119.08572	21.8
120.05710	1.9
121.10143	5.4
123.08054	6.9
123.11735	1.1
125.09629	2.7
126.98727	0.9
127.07561	1.3
131.04929	56.5
131.08531	1.2
132.05679	3.3
133.10138	12.3
135.11690	7.5
137.09645	3.5
137.13284	5.6
144.05705	1.4
151.11327	1.0
155.08681	1.4
159.08081	4.9
161.13252	23.7
165.07079	2.0
167.08557	2.6
169.10126	1.3
178.07802	3.6
179.08633	6.5
179.14296	8.4
181.06471	2.2
182.07294	4.7
195.08208	2.5
197.09601	5.5
198.84718	1.1
207.08047	3.1
210.06721	6.0
211.07530	1.5
213.13034	1.2
225.09090	17.1
241.08574	12.9
250.13766	1.1
253.08609	25.8
254.08859	2.0
259.09784	1.2
271.09695	2.4
271.19125	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1901
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
53.03943	1.4
55.01867	4.0
55.05511	45.2
56.96563	7.9
57.03149	1.8
57.03435	26.0
57.07071	2.9
59.05000	1.5
65.03934	2.1
67.05506	52.7
69.03422	2.4
69.07070	32.0
69.59564	4.3
69.59975	3.3
70.06590	2.6
71.04999	13.4
72.08167	1.2
73.06550	2.1
78.05380	1.1
79.05496	26.5
81.03426	2.7
81.07056	92.1
82.07384	2.2
83.04985	4.6
83.08616	20.8
85.02922	1.3
85.06543	9.9
91.05479	22.3
91.36447	1.1
93.07044	24.3
95.04978	3.8
95.08605	100.0
95.29349	1.0
96.08933	1.2
97.06533	15.2
97.10175	7.5
98.97591	4.8
99.04468	2.4
99.08087	2.7
100.61768	1.0
105.07033	21.2
107.04958	4.5
107.08582	10.4
109.02828	1.1
109.06519	3.5
109.10149	13.4
110.97572	1.8
111.08057	5.2
115.07507	1.3
116.98634	5.0
117.07029	2.4
119.04934	1.4
119.08577	22.6
119.09360	1.7
121.10152	4.7
123.08084	5.1
127.03935	1.7
127.07517	1.1
128.98622	3.7
129.07042	1.4
131.04938	2.1
131.08534	1.1
133.10138	16.6
134.99638	2.6
135.11679	7.7
137.09633	3.1
137.13211	5.2
137.58278	1.0
143.06996	1.2
143.08585	1.2
144.00633	1.2
146.99675	4.8
151.11255	1.6
155.08595	1.5
157.12683	1.1
159.08086	4.1
161.01277	2.4
161.13248	29.0
165.06908	1.6
179.14308	11.9
189.00876	1.3
197.15335	1.8
212.10898	1.9
231.01753	1.4
241.11115	1.8
249.02731	1.9
253.11061	2.5
253.18033	3.9
257.10553	1.6
259.12207	3.9
271.09604	1.9
271.12354	3.0
271.19098	37.7
272.12906	3.4
289.13196	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	271.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.4
55.01860	2.2
55.05513	38.6
57.03437	26.6
57.07060	2.5
61.99808	1.9
67.05505	62.2
68.26730	2.2
69.07069	32.3
69.42329	18.1
71.04999	13.8
73.37403	1.6
77.10632	1.7
79.05494	23.1
81.07059	97.9
83.04986	5.2
83.08616	22.1
85.06538	11.6
91.05475	19.7
93.07043	18.4
95.04984	2.0
95.08609	100.0
97.06545	17.4
97.10178	4.3
99.08089	5.4
99.08802	1.7
105.07042	17.9
107.08607	5.9
109.10144	11.6
111.08047	2.2
119.08591	21.0
121.10125	5.9
122.36631	1.8
123.08064	6.2
127.07520	2.4
130.41205	1.8
133.10117	12.0
135.11710	7.5
137.09634	5.5
137.13255	6.3
161.13243	30.7
172.51978	1.9
172.86029	1.7
178.73387	1.9
179.14362	11.0
271.16605	3.0
271.19122	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.4
55.01860	2.2
55.05513	38.6
57.03437	26.6
57.07060	2.5
61.99808	1.9
67.05505	62.2
68.26730	2.2
69.07069	32.3
69.42329	18.1
71.04999	13.8
73.37403	1.6
77.10632	1.7
79.05494	23.1
81.07059	97.9
83.04986	5.2
83.08616	22.1
85.06538	11.6
91.05475	19.7
93.07043	18.4
95.04984	2.0
95.08609	100.0
97.06545	17.4
97.10178	4.3
99.08089	5.4
99.08802	1.7
105.07042	17.9
107.08607	5.9
109.10144	11.6
111.08047	2.2
119.08591	21.0
121.10125	5.9
122.36631	1.8
123.08064	6.2
127.07520	2.4
130.41205	1.8
133.10117	12.0
135.11710	7.5
137.09634	5.5
137.13255	6.3
161.13243	30.7
172.51978	1.9
172.86029	1.7
178.73387	1.9
179.14362	11.0
271.16605	3.0
271.19122	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1903
Annotation	Celorbicol
Peak:m/z	Relative Intensity
55.05511	48.1
57.03440	34.3
57.20639	3.4
59.31308	3.3
67.05511	59.7
67.77868	3.1
69.07069	30.5
69.59995	22.9
69.60335	3.9
71.04988	13.4
79.05496	26.4
79.31986	3.0
81.07063	95.1
83.04987	4.8
83.08626	27.0
85.06538	11.6
86.83379	2.7
90.39642	2.8
91.05491	24.2
92.84052	3.0
93.07046	28.2
95.08617	100.0
95.27969	3.0
96.08924	5.4
97.06556	18.0
97.10184	5.8
99.08126	5.0
104.19390	2.9
105.07034	23.1
107.08601	5.8
109.10172	10.2
119.08596	23.5
120.29469	2.9
121.10159	7.3
123.08102	5.5
133.10141	15.3
135.11688	11.8
137.09654	4.7
137.13258	6.5
147.55534	3.0
161.13261	29.1
179.14372	14.1
212.50507	3.2
271.19110	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1903
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
53.03939	2.5
55.01863	2.9
55.05511	41.5
56.96576	0.8
57.03437	29.8
57.07071	2.4
59.04988	0.7
60.40084	0.8
65.03944	1.8
66.09525	0.7
67.05504	61.2
69.03433	1.4
69.07070	32.2
69.63996	1.7
69.64407	3.6
70.06574	0.8
71.04994	13.5
73.06579	1.1
76.69015	0.7
79.05492	25.7
81.03406	0.8
81.07057	92.3
83.04971	4.4
83.08617	22.9
84.08144	0.8
85.02885	0.8
85.06539	10.3
88.26711	0.7
91.05481	20.7
93.07045	23.9
95.04966	4.3
95.08607	100.0
96.08932	0.9
97.06524	12.5
97.10168	5.4
99.08096	3.6
101.06013	1.0
105.07031	17.3
107.04935	0.9
107.08598	8.8
109.06517	3.2
109.10149	13.4
111.08091	5.1
113.09678	1.8
117.07008	1.5
119.08585	22.1
121.10147	5.5
123.08066	5.5
123.11735	1.0
125.09626	1.0
127.07550	0.8
131.08623	1.2
133.10132	15.9
135.11703	7.7
137.09633	3.7
137.13251	5.6
151.11211	1.9
151.14830	0.8
159.08052	1.8
159.11642	0.9
161.13258	22.1
179.14339	7.7
192.00392	0.8
207.08214	0.8
211.07549	0.8
212.10664	0.9
253.17984	2.7
257.10184	0.9
271.09573	1.4
271.19077	37.2
272.12885	2.3
272.19366	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.9
55.01855	5.2
55.05514	44.1
56.96569	7.4
57.03438	32.9
57.07079	3.7
62.08377	1.5
62.97216	1.2
65.03934	2.1
67.05505	70.1
69.03424	3.0
69.06724	2.5
69.07069	34.1
69.44736	1.5
70.06587	6.9
70.54916	4.0
71.04983	14.5
71.08652	2.2
73.43775	1.7
79.05073	2.2
79.05499	36.2
81.07054	100.0
82.07365	1.7
83.04984	7.7
83.08144	2.0
83.08614	23.1
84.08139	2.2
85.06546	9.4
91.05482	33.3
93.07048	29.1
95.04957	5.6
95.08607	97.6
97.06526	15.0
97.10177	6.3
98.20960	1.5
98.97549	2.6
99.04465	2.7
99.08065	5.8
100.11265	4.6
105.07030	20.9
107.04978	10.4
107.08582	11.6
109.06496	3.3
109.10143	24.8
110.06049	1.7
111.08037	3.4
117.07027	3.6
119.04945	1.7
119.08581	23.3
121.06487	2.2
121.10138	4.0
123.08044	6.2
123.11662	3.4
127.07530	1.6
127.11203	1.7
128.98512	1.9
131.04900	5.7
131.08556	4.4
133.10129	28.3
134.42311	1.5
135.08046	2.1
135.11676	8.2
137.09581	3.2
137.13255	5.8
143.08551	2.4
145.06386	1.7
147.11615	2.0
149.09636	3.2
151.11185	8.6
155.08546	1.9
155.10652	1.6
157.10097	1.8
159.08043	7.9
161.13258	24.9
165.06996	4.8
169.12276	2.5
173.09627	2.0
179.14272	6.7
181.06448	1.9
197.11775	2.7
211.07622	2.5
218.77261	1.7
225.09103	3.0
241.08629	1.7
241.11307	2.1
253.08763	2.3
253.11159	3.5
253.18060	2.3
257.32233	1.5
259.12161	2.7
271.09518	3.8
271.12311	4.6
271.16949	3.4
271.19110	38.8
272.12872	3.6
289.13303	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	271.1691
Annotation	17beta-Dihydroequilin
Peak:m/z	Relative Intensity
51.11437	0.6
53.03931	0.8
55.01854	1.3
55.05509	4.9
55.75570	0.7
56.96554	2.3
57.03437	7.5
57.07069	2.1
67.05505	8.0
69.07060	4.3
70.06559	0.7
70.43916	0.8
70.44258	3.3
71.04986	1.2
79.05485	8.7
81.07053	9.5
83.04901	1.6
83.08614	2.5
88.07623	0.7
91.05474	11.7
93.07052	7.2
95.04971	1.7
95.08607	6.4
97.10153	2.9
103.05444	1.0
105.07022	7.6
107.04923	1.2
107.08588	6.0
109.06548	1.1
109.10155	4.7
111.08035	0.9
115.05447	2.9
116.06233	1.3
116.98583	1.2
117.07001	11.4
119.04958	1.7
119.08575	9.3
121.06538	0.9
121.10143	4.2
123.11738	1.5
128.06223	2.5
129.06993	6.8
131.04893	1.3
131.08566	6.6
133.06483	1.7
133.10104	4.8
134.99699	1.6
135.08040	6.2
135.11629	1.0
140.39809	0.8
141.06993	4.1
142.07832	1.5
143.08531	4.6
144.05693	10.7
145.06485	3.9
145.10121	5.9
147.08044	2.8
147.11702	2.3
149.13316	1.0
151.11172	1.1
154.07816	0.9
155.08553	5.1
157.06490	4.2
157.10101	3.7
159.08047	100.0
159.11678	2.8
160.08403	1.9
161.09569	2.1
161.13246	1.5
163.14857	1.6
167.08545	1.0
169.10141	2.5
171.08031	1.9
171.11649	2.2
173.09621	7.6
173.13229	1.8
175.07536	1.7
175.14755	1.3
181.10176	0.8
183.08028	1.7
183.11723	1.8
185.09604	9.6
186.96815	1.0
187.07530	0.9
187.11160	1.1
187.14842	1.1
189.16371	1.6
193.10258	1.2
197.09607	3.1
197.13242	1.5
199.11066	1.8
201.16389	1.3
202.94055	2.7
204.94263	0.8
211.11182	4.6
211.14734	0.8
213.12750	0.9
215.14314	4.5
215.17941	1.4
225.12750	1.6
225.16412	2.1
243.17435	2.1
253.15897	8.3
271.06064	3.7
271.16928	80.1
271.24237	8.5
271.99850	2.7
272.17184	2.2
272.25800	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	271.144
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
55.05493	1.1
56.05010	0.8
66.59223	0.6
67.05488	2.3
69.07060	1.4
70.15016	0.5
71.21777	1.1
79.05468	2.4
81.05801	1.0
81.07032	2.6
83.08590	0.8
85.06464	0.8
91.05460	2.5
93.05775	1.5
93.07025	2.0
94.06533	1.4
95.04985	1.0
95.08595	2.0
96.08144	3.2
99.08104	1.2
103.05466	0.6
105.06992	1.8
106.06527	2.3
107.04916	1.0
107.08573	1.7
108.08112	11.8
109.10144	1.6
117.06988	1.2
119.08560	2.5
120.08126	0.8
121.10170	0.5
122.09637	1.0
129.06999	1.8
131.08562	1.0
132.08113	1.0
133.10126	2.1
134.05992	1.5
135.07991	0.7
136.07584	1.7
141.06924	0.7
142.07739	0.7
143.08585	0.6
144.05611	0.7
144.08073	1.2
145.10117	1.3
148.07574	0.7
153.06985	0.8
154.06517	0.8
155.08546	1.0
156.09311	0.8
157.10098	1.7
158.06041	0.6
158.09622	1.2
159.08075	5.4
159.09230	1.1
159.11604	1.0
161.13242	0.8
165.07005	0.9
166.07814	1.0
168.08105	4.9
169.08878	4.8
169.10173	0.9
170.09660	2.0
171.11726	1.2
172.07507	2.1
174.09151	2.4
175.14911	0.7
181.10147	1.8
182.06049	1.4
182.09668	2.2
183.10408	8.4
183.11778	1.4
185.10721	2.2
186.09190	0.8
186.11482	2.3
187.14754	0.7
195.09187	0.7
196.07596	4.5
197.08365	10.8
198.09230	1.3
198.12764	8.1
199.08647	8.8
199.12286	0.9
200.11006	0.6
200.13068	2.0
208.11182	1.0
210.09151	2.6
210.11382	1.2
211.09903	16.4
212.09406	1.7
213.10211	16.5
214.11035	5.0
215.15439	5.0
225.13994	1.3
226.12257	39.2
227.08179	1.6
227.11757	22.0
228.12555	27.9
236.92017	0.7
239.11798	1.3
241.09727	2.2
241.13304	1.1
242.10530	2.1
243.14919	26.2
253.13358	5.9
253.15710	1.2
254.11787	1.4
255.11266	23.7
256.12057	31.7
269.12732	0.7
271.06293	3.4
271.14398	100.0
271.16769	3.8
271.24176	3.8
272.14737	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1329
Annotation	Conferol B
Peak:m/z	Relative Intensity
53.03946	2.8
55.01875	2.7
55.05512	2.5
56.96570	1.5
57.03432	2.9
57.07081	1.1
67.05511	5.1
67.05804	0.9
69.03439	1.5
69.07060	1.3
69.90919	3.6
70.06588	2.7
71.01337	1.2
72.08157	1.5
79.05491	7.0
81.03428	1.4
81.07068	6.3
83.08614	1.2
84.08150	1.8
91.05483	25.7
93.07054	6.1
95.04998	6.3
95.08620	3.2
98.21517	1.3
102.21706	1.1
103.05495	6.8
105.07037	11.1
107.04960	100.0
107.08607	1.9
109.06524	1.2
109.10178	1.8
110.06063	1.8
115.05457	3.9
116.06233	2.0
116.79231	0.9
117.07022	1.9
119.04950	17.1
119.08576	2.0
120.05762	2.0
121.02905	2.7
121.06510	35.8
127.03983	1.1
129.06976	2.4
131.04935	39.0
131.08580	15.4
132.05730	1.5
133.06512	12.0
133.10139	3.9
135.08098	1.1
141.07033	4.8
144.05721	5.9
145.06493	4.5
147.08067	4.1
148.11165	1.1
151.11131	1.6
153.07033	1.7
157.06541	2.5
159.08067	32.5
164.19995	0.8
165.07042	5.3
167.08601	3.1
169.05142	1.1
169.06499	2.6
169.10110	1.3
177.06958	1.1
177.09213	1.1
178.07823	7.0
179.08572	18.0
181.06508	5.9
182.07291	5.5
183.08095	2.8
189.07057	2.5
190.07852	0.9
192.09436	0.9
194.07211	1.0
195.08148	3.0
196.09009	1.1
197.06071	1.6
197.09666	3.2
198.09171	2.8
199.09975	2.6
206.07208	1.5
207.08049	40.5
208.08682	1.7
209.09544	1.2
210.06773	8.4
211.07533	5.0
211.09653	1.3
212.08371	5.1
212.10767	6.3
213.11557	1.5
224.08389	4.4
225.09111	87.6
226.09360	1.3
226.12318	1.9
227.10692	8.0
235.11200	3.1
245.05794	1.1
253.12248	32.6
253.16222	2.2
254.12276	1.4
257.10443	5.8
271.06073	2.9
271.09653	3.0
271.12939	1.8
271.17181	1.4
272.12820	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	271.0965
Annotation	3-Hydroxy-5-methoxystilbene-2-carboxylic acid
Peak:m/z	Relative Intensity
53.03934	0.9
55.01869	1.2
55.05510	4.6
57.03434	1.9
62.83553	0.7
65.03931	1.3
67.05511	5.6
69.07066	3.9
70.02186	1.3
70.02597	3.4
71.04974	1.1
72.38127	0.7
72.91029	0.7
79.05498	3.5
81.03410	0.8
81.07062	7.0
83.08617	2.4
91.05486	25.7
93.07040	1.5
95.04959	2.9
95.08607	8.2
97.06550	1.6
103.05476	9.2
105.07053	1.8
107.04958	57.7
109.06551	0.8
109.10154	1.7
119.04948	26.3
119.08559	2.1
120.05731	3.2
121.10138	1.5
131.04929	100.0
132.05745	8.2
133.10124	0.9
135.56395	0.7
141.07024	1.5
144.05730	1.5
147.04442	2.1
147.51451	0.7
152.06168	1.1
153.06990	1.2
154.07808	1.2
157.06511	1.8
159.04446	2.1
159.08017	0.8
161.13260	2.5
165.06987	2.4
166.07707	1.1
167.08585	5.6
169.10207	2.1
177.06990	1.9
178.07797	5.4
179.08551	12.1
180.08957	0.8
181.06490	3.9
182.07314	6.9
183.08188	1.2
195.08098	2.7
197.09665	11.1
198.06728	0.8
203.40979	0.8
207.07997	6.2
210.06784	8.8
213.09074	4.1
223.07570	2.9
224.08322	3.5
225.09108	30.0
241.08597	27.2
242.08949	1.0
243.32741	0.7
253.08609	50.2
254.08968	1.7
271.09653	2.6
271.19025	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	271.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02831	3.9
55.05499	6.4
56.96542	4.2
57.07072	9.3
60.15160	3.2
62.30086	3.3
62.41806	3.0
62.99832	3.2
65.03968	3.9
68.05016	9.9
69.07061	7.7
70.02960	3.6
70.06587	28.9
70.91969	10.6
71.08598	4.6
72.08146	13.2
74.02425	6.0
75.03212	5.3
79.05492	9.3
80.05009	12.4
81.07049	6.9
82.06568	7.5
83.06107	3.7
83.08605	6.4
84.04494	15.3
84.08134	14.5
86.09694	16.0
91.05467	12.0
94.06550	15.7
95.04943	5.1
96.04473	11.2
98.06068	4.0
106.06567	26.9
107.04947	16.8
108.04456	11.8
108.08097	6.0
109.05227	5.6
109.10159	5.2
110.06030	18.3
116.07087	5.8
118.06553	19.0
119.04927	15.5
120.04486	4.3
121.05270	4.7
122.06055	9.4
124.03912	6.7
124.07582	11.4
126.01031	4.7
126.05489	10.5
130.06512	4.8
131.04927	8.0
133.05235	5.0
133.07622	14.7
134.06007	62.3
135.04434	7.2
136.03940	11.7
136.07555	16.7
137.07100	6.7
138.05450	8.8
143.03679	4.9
143.05959	4.7
144.04474	7.3
145.07593	7.3
146.06007	64.8
147.04443	7.6
147.05542	8.9
147.06787	4.9
148.03938	21.5
149.07047	6.5
150.05426	5.4
151.08675	4.6
152.07104	19.3
158.06026	5.9
161.07082	32.6
162.05515	100.0
163.06212	5.9
163.08708	7.5
164.03407	20.4
164.07071	15.9
171.05478	8.1
173.07074	9.0
174.05492	23.2
175.08707	5.9
178.04927	7.5
179.08163	12.2
180.06589	40.7
183.07610	4.2
189.06570	21.1
190.05037	25.2
191.05659	4.3
191.08163	38.6
192.06606	4.1
193.06033	7.2
194.06813	4.7
207.05908	6.6
207.07671	60.4
208.06017	15.3
208.08116	5.5
209.09151	5.3
218.04477	5.7
220.06056	5.0
220.08372	5.9
221.09254	7.4
225.08707	63.0
226.07126	4.4
226.09592	4.0
235.07132	16.8
236.05524	6.3
236.08046	4.8
237.08685	13.1
238.09468	5.6
253.08299	21.2
254.06480	5.4
254.09106	11.3
271.09274	72.4
271.11987	5.2
271.26282	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02332	0.9
53.03699	1.4
53.03940	18.3
55.01859	2.2
55.05497	1.7
57.03431	4.7
67.05502	3.0
69.03424	51.2
69.07041	0.9
69.80885	6.0
71.04992	10.3
73.02914	21.4
79.05477	2.1
81.03413	40.7
81.07040	2.8
83.04967	1.6
85.02896	25.1
87.04456	5.6
91.05472	2.8
93.07034	0.9
95.04943	1.6
97.02882	25.4
99.04445	63.9
103.03945	10.5
105.07037	1.0
107.04924	8.4
109.02870	88.4
110.03680	1.4
112.02171	1.1
119.04903	1.1
119.08556	1.0
120.08118	2.1
127.03906	100.0
133.06461	1.0
133.10146	1.4
143.59030	0.8
145.04974	6.0
145.05952	1.0
145.10158	1.0
148.11266	2.0
153.01801	1.5
153.06989	1.8
157.06485	0.9
165.07034	2.9
169.04973	2.6
169.06354	0.9
181.06412	1.1
183.08064	1.8
196.07686	1.1
204.87912	1.1
210.09189	1.6
211.05927	1.5
211.07692	1.7
212.10672	4.0
226.12299	4.6
253.07188	4.2
253.09569	0.9
254.15417	5.2
271.05542	1.5
271.07928	8.7
271.11987	7.9
272.12814	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	270.1698
Annotation	Heliohoustine
Peak:m/z	Relative Intensity
53.03913	0.8
55.01846	2.7
55.05262	0.6
55.05505	6.3
56.05035	1.2
56.96541	0.8
57.03425	0.9
62.06073	1.0
67.05511	6.0
68.05016	1.0
68.89962	0.6
69.07065	4.3
69.47000	0.5
69.47798	5.6
70.06567	2.4
71.04965	1.3
72.08138	0.6
74.06071	0.6
74.24760	0.6
75.00032	3.6
76.99739	5.1
79.05508	4.5
80.04994	0.9
81.03386	0.9
81.07051	8.4
82.02930	0.7
82.06573	11.0
83.04953	0.8
83.08586	2.3
84.04501	9.2
86.09681	1.7
91.05470	4.1
93.07038	5.8
94.06567	5.8
95.04967	1.0
95.07322	0.7
95.08595	4.0
96.04453	2.4
96.08108	3.2
97.02871	0.6
97.06483	0.7
98.06060	6.7
98.09653	0.6
105.07000	2.5
107.04942	2.5
107.08591	2.5
108.08102	2.3
109.06481	1.6
109.08877	0.8
109.10125	2.2
110.06040	22.2
110.09701	5.8
111.08054	0.8
112.07610	1.3
113.06066	0.7
114.09123	1.2
114.33819	0.6
117.06981	1.1
119.08555	1.9
120.08088	1.0
121.06483	3.7
121.10126	2.0
122.06007	2.2
122.09692	0.9
123.10435	0.8
124.07567	5.6
126.05500	2.0
126.09131	2.9
128.07051	3.0
131.08521	1.6
133.10176	1.0
134.06010	1.2
134.09570	0.9
135.11632	0.9
136.07568	8.2
138.08116	1.3
138.09129	16.2
142.08606	2.5
145.10062	1.2
149.08322	0.6
149.09608	0.9
150.09113	2.9
152.07071	0.7
154.08650	4.7
160.11200	1.2
162.12747	1.1
163.11205	1.6
164.10645	1.2
165.06956	0.9
166.12190	1.2
178.15955	1.0
180.13826	3.8
184.28001	0.7
188.10611	1.0
188.14362	0.8
190.12277	2.6
192.13789	1.6
194.04779	1.5
196.04497	1.2
196.50705	0.7
206.15375	5.9
208.13321	5.7
212.04694	1.8
224.16454	6.1
226.17996	0.8
227.06995	3.7
234.14912	8.4
242.17549	2.5
252.15941	99.8
253.16240	2.3
255.06477	2.2
270.03683	7.9
270.09064	3.4
270.16998	100.0
271.05981	2.4
271.09485	0.8
271.12125	0.9
271.17361	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	270.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47183	1.0
55.01835	1.2
55.05507	1.5
56.05014	2.1
56.96551	2.3
57.03424	2.4
60.04520	1.6
68.05015	1.8
69.03420	2.2
69.06793	1.0
69.07070	10.1
70.06594	26.2
70.50400	3.3
71.04985	1.2
72.08143	3.6
74.01842	1.0
79.05468	2.3
81.04567	1.7
82.05296	2.1
82.06566	3.0
83.06104	12.9
84.04419	1.1
84.08122	4.8
85.02917	1.4
86.06056	4.8
86.09689	4.4
87.02441	1.0
93.04536	8.5
95.04948	1.5
95.05517	1.3
95.06094	21.6
97.06535	8.2
97.97301	1.0
98.20796	1.0
101.00849	1.7
104.07088	2.3
107.04958	22.4
107.06071	3.5
109.07607	1.1
110.07164	75.7
111.05543	2.5
111.06837	2.0
111.07504	6.9
112.08694	2.7
116.07058	4.7
119.01906	3.7
119.06044	1.6
120.31216	1.0
121.06535	1.9
121.07630	1.3
127.08694	3.0
131.01894	1.6
131.04880	2.3
131.06078	1.2
132.06720	1.2
133.03430	1.6
133.06482	1.0
133.07590	4.3
136.07610	1.5
137.04547	1.8
138.02969	2.6
138.05513	2.1
141.48109	1.1
146.08139	5.6
148.08704	1.7
149.05960	1.8
151.02119	3.7
152.07047	2.2
155.08067	1.5
156.07767	9.7
158.15529	1.0
161.10695	2.4
163.02124	10.6
179.11800	23.7
188.11824	4.2
189.10243	2.0
196.12013	3.2
197.12868	1.7
206.12885	14.3
209.12874	4.5
211.14381	1.3
224.13937	65.2
225.12305	3.0
226.15462	1.7
252.13579	5.3
253.09436	6.6
270.14465	100.0
271.14832	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	270.0796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.01869	1.1
55.05522	2.7
55.93481	0.9
56.05036	1.2
56.96550	1.2
57.07077	1.1
58.51505	1.1
58.99576	1.4
60.04531	1.2
63.49949	1.0
67.05518	1.5
69.07053	1.8
70.06595	17.3
70.34485	1.0
70.40970	3.0
72.08153	11.2
74.00658	5.4
79.05486	2.3
81.07064	1.6
84.04512	2.6
84.08144	6.4
85.01119	2.2
85.02879	1.3
86.09708	10.4
86.42787	1.1
88.04021	1.2
91.05471	4.6
93.07064	3.0
95.04958	2.6
98.06028	1.3
98.09664	1.1
100.02179	1.1
103.05462	10.8
106.50109	0.9
107.04954	100.0
108.05275	1.6
108.12401	0.9
109.06409	0.9
110.07150	5.3
111.07552	1.6
112.08760	1.7
116.98594	1.6
119.04945	8.8
121.06495	14.0
122.02741	1.2
129.10258	3.5
130.06554	1.0
131.04938	3.7
133.06458	5.4
138.80365	1.1
143.11815	3.3
145.06488	1.2
146.02737	4.3
147.04379	5.3
148.05222	7.1
149.05977	56.2
150.06360	1.1
151.02094	7.4
156.07718	1.7
157.10866	1.9
159.01131	7.7
162.99147	1.0
163.02141	4.3
163.84206	1.0
165.03711	1.9
170.06186	1.4
181.03154	11.5
183.14836	1.1
184.07326	1.4
185.29709	0.9
195.06819	0.9
198.05571	1.1
207.04730	3.1
216.06592	1.4
227.06941	1.3
234.07637	2.2
242.19795	1.9
247.08342	1.4
252.06909	15.1
253.05380	2.8
270.08029	2.8
270.27911	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2262
Annotation	Anhydrovitamin A1
Peak:m/z	Relative Intensity
51.93758	0.6
55.01846	1.0
55.05252	0.7
55.05510	9.4
56.75059	0.6
56.96570	1.4
57.03434	5.5
57.07058	2.0
57.65298	0.6
60.98071	0.7
67.05177	1.3
67.05502	20.7
69.06717	0.9
69.07063	11.4
69.38459	6.9
70.04073	0.8
71.04978	1.5
71.08569	0.7
79.05489	13.5
81.07051	35.0
83.04950	1.7
83.08610	5.5
85.06530	1.9
91.05470	10.1
91.89906	0.7
93.07034	24.4
95.04941	2.4
95.08603	23.0
97.06496	2.5
97.10159	1.1
105.07027	22.5
107.08588	23.7
109.06524	1.6
109.10146	14.5
111.08079	1.6
111.11703	0.8
117.07009	4.9
119.08576	23.3
121.09296	1.1
121.10126	14.6
123.11701	5.7
128.06204	1.4
129.07007	4.0
131.08566	10.1
133.10127	12.7
135.08084	0.7
135.11678	6.7
136.06192	0.7
137.13194	0.6
141.06964	1.1
142.07782	2.8
143.08559	10.2
144.09261	2.4
145.10118	17.7
147.11685	12.7
149.13257	9.6
155.08546	2.0
156.09329	2.3
157.10127	17.3
158.10849	1.1
159.11691	23.7
159.13022	1.2
161.13248	13.8
163.14830	1.7
169.10109	2.3
170.10875	0.8
171.11690	14.3
172.92815	0.7
173.13257	14.3
175.14828	7.9
177.12770	1.6
183.11613	1.7
185.13264	9.8
187.14812	5.3
189.16335	2.3
195.11795	1.0
195.13771	1.6
197.13232	1.7
199.14803	13.8
200.15614	1.0
201.16402	3.8
202.86403	0.7
211.14792	2.8
213.16373	23.7
214.17062	1.4
225.16422	1.2
227.17920	6.1
241.19545	2.9
269.10394	1.1
269.17352	2.6
269.22614	100.0
270.23035	2.1
287.11664	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1899
Annotation	4-[1-Ethyl-2-(4-methylphenyl)butyl]phenol
Peak:m/z	Relative Intensity
53.03951	4.5
55.01864	3.4
55.05504	25.4
57.03434	18.3
57.07071	47.0
57.07332	3.3
59.05010	4.1
65.03951	3.9
67.05499	74.3
69.03448	6.8
69.07066	41.9
69.29024	23.4
69.29445	7.8
70.07862	3.3
71.04993	8.1
79.05497	41.0
81.03422	3.1
81.07053	63.2
81.07506	3.6
83.04994	8.6
83.08624	18.0
85.06548	4.2
91.05470	39.6
93.07039	52.8
95.04969	21.4
95.08598	43.0
97.06549	13.6
97.10186	3.0
99.08089	15.8
103.05466	4.9
105.07027	46.1
105.07669	3.6
107.08591	42.0
109.06506	14.9
109.10164	21.0
111.08106	8.5
115.05472	5.7
117.06332	3.5
117.07009	14.8
119.08575	52.0
121.06552	5.2
121.10138	32.0
123.08054	6.9
123.11787	7.3
125.01596	5.4
128.06258	8.0
129.07057	12.6
130.07811	5.1
131.08559	38.0
133.10124	35.4
135.08086	6.8
135.11693	14.3
136.06216	4.4
137.06540	4.5
138.99487	6.9
139.03152	5.2
141.07045	5.9
142.07864	11.5
143.08542	36.7
144.09422	6.6
145.10127	45.1
145.11119	3.9
147.08105	8.0
147.11763	11.8
149.09695	3.5
149.13254	18.3
155.08611	11.4
156.09370	16.5
157.10124	40.4
158.10966	9.4
159.08157	7.5
159.11684	28.9
161.09648	4.7
163.11267	5.6
165.06993	3.3
167.08722	4.5
168.09378	5.3
169.10089	15.6
170.10973	14.4
170.91702	8.6
171.11684	39.1
172.12566	4.1
173.09721	7.7
173.13255	39.3
175.11259	7.9
177.12930	5.2
179.08612	5.9
180.09357	3.9
181.10249	9.1
183.11760	7.5
185.09732	6.6
185.13254	36.3
186.14076	6.0
187.11232	3.3
187.14818	15.3
189.12776	3.0
193.10176	5.1
194.07448	2.9
194.11052	5.9
195.11801	14.4
195.13840	5.9
196.12537	3.2
197.13338	5.9
198.91077	3.6
199.11290	7.1
199.14832	14.3
207.11786	3.5
209.07275	58.4
209.13359	9.3
211.11098	3.9
211.14819	17.3
213.03279	11.0
213.12749	14.3
214.12424	6.4
221.13310	6.6
225.16606	3.4
227.08417	7.1
227.14410	6.1
241.19661	9.6
251.18095	9.4
268.98950	6.1
269.10031	4.5
269.13022	11.6
269.19171	100.0
269.26868	7.3
270.19632	3.0
287.13986	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	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03933	4.1
55.01857	4.0
55.05257	1.5
55.05507	21.8
56.96566	1.9
57.03434	31.2
57.07061	4.1
63.15019	0.8
65.03928	3.0
67.05502	77.8
69.03402	1.4
69.07064	30.9
69.77802	5.0
69.78218	1.7
71.05000	7.1
71.08622	1.1
79.05490	51.5
81.03407	2.7
81.07053	100.0
82.07374	1.4
83.04982	9.7
83.08615	18.6
85.06539	5.6
91.05472	25.9
93.07038	73.0
95.04975	8.3
95.08603	24.0
97.06526	17.7
97.10152	2.6
98.21444	2.2
98.97582	1.2
99.08108	5.1
105.07019	11.0
107.04904	2.6
107.08588	41.9
109.06487	3.6
109.10148	6.0
109.49740	1.0
111.08075	8.7
111.11691	1.5
113.09677	1.0
117.06998	10.7
119.08582	4.4
121.06516	1.8
121.10138	26.2
123.11712	3.9
125.09659	1.1
129.07019	1.3
131.08583	11.5
133.10115	10.4
135.08034	2.5
135.11676	10.7
136.06200	2.0
137.06496	1.2
139.11157	1.5
143.08511	1.2
145.10156	1.7
147.11653	2.9
149.09598	1.5
149.13251	43.5
151.11134	1.3
151.64647	1.1
157.10066	2.4
159.11674	20.6
161.13315	1.4
167.14336	2.0
171.11758	1.4
172.50027	1.0
177.12756	10.3
177.14102	1.7
195.13791	11.6
207.84680	1.0
213.16379	1.1
223.02745	1.4
246.07918	1.1
269.17471	40.8
269.22556	5.4
270.11343	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	4.3
54.75404	1.3
55.01884	3.5
55.05507	20.8
56.96574	3.1
57.03436	27.8
57.03699	1.8
57.07068	6.3
65.03947	2.8
65.81532	1.1
67.05501	81.2
69.07066	29.0
70.94350	3.9
71.04987	8.1
71.08643	3.5
76.45617	1.2
78.91608	1.2
79.05489	41.9
81.03442	1.7
81.07054	100.0
83.04986	10.7
83.08620	19.9
85.06559	5.9
91.05476	26.4
91.05994	1.8
93.07041	60.9
95.04968	11.3
95.08606	28.8
97.06529	14.2
97.10207	3.7
99.08126	4.3
105.07037	10.0
107.04966	1.6
107.08592	35.5
107.09279	2.0
109.06539	3.7
109.10186	5.0
109.50930	1.3
110.15549	1.2
111.08091	10.0
117.07021	9.8
119.08632	3.9
121.06579	1.7
121.10139	21.1
123.11726	4.7
126.83111	1.4
130.07877	1.6
131.08582	11.1
133.10123	11.7
135.08180	1.8
135.11679	11.6
136.06245	4.3
143.08604	1.9
147.11693	1.7
149.01125	1.3
149.09689	1.7
149.13257	34.6
151.11224	2.2
155.00053	1.3
157.10208	1.4
159.11690	20.3
161.13249	1.5
165.89496	1.2
177.12764	8.2
179.14400	1.6
195.13797	9.9
226.60146	1.4
245.10686	2.3
257.14832	1.6
269.17441	35.2
269.21918	1.4
287.11618	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	269.1746
Annotation	Arteincultone
Peak:m/z	Relative Intensity
52.15598	2.1
53.03942	4.8
55.01869	2.8
55.05513	23.6
57.03434	32.7
57.07059	4.8
67.05505	79.5
69.03408	2.4
69.07067	25.9
69.95042	4.3
69.95451	8.0
70.35695	2.0
70.45490	1.9
71.04981	5.2
79.05492	49.1
81.03415	2.7
81.07056	100.0
82.07394	2.5
83.04971	9.3
83.08620	15.7
84.21814	2.2
85.06530	4.9
91.05481	26.8
92.77843	2.0
93.07040	66.3
94.07374	2.0
95.04967	7.4
95.08601	25.3
96.23912	2.1
97.06528	17.6
99.08102	4.0
102.59006	1.8
105.07029	10.5
107.08602	34.5
109.06512	2.7
109.10152	3.5
111.08083	10.0
113.09571	2.9
117.07018	8.4
121.10142	18.8
123.11678	4.1
130.05446	2.3
131.08560	13.7
133.10120	12.5
135.11678	12.1
139.11168	2.9
144.11839	2.3
149.13264	35.7
149.14409	3.6
157.10153	2.2
159.11662	22.3
177.12738	8.7
195.13777	13.4
215.44527	2.2
269.17398	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.02382	0.7
53.03942	2.7
55.01876	3.8
55.05512	23.2
56.96552	1.9
57.03439	30.1
57.07088	3.8
57.07318	0.7
65.03952	3.7
67.05507	80.4
69.03416	2.3
69.07069	27.6
70.06592	8.6
71.04995	5.6
71.08604	0.8
71.57848	1.0
72.08141	3.6
73.02878	1.0
79.05495	46.8
81.03408	3.0
81.07059	100.0
81.65792	0.7
82.07372	1.2
83.04984	8.6
83.06068	1.2
83.08154	1.1
83.08623	19.6
84.04519	1.2
84.08159	4.7
85.02897	2.1
85.06522	4.4
86.09705	6.5
89.30303	0.7
91.05482	29.3
93.04529	0.8
93.07046	68.0
94.07363	1.3
95.04971	9.1
95.08607	27.4
97.02881	1.0
97.06530	15.2
97.10184	2.1
99.04491	1.2
99.08084	2.4
99.42833	0.7
103.05452	1.4
105.04505	1.6
105.07029	12.0
107.04959	20.0
107.08592	32.6
108.05293	1.0
109.06548	4.6
109.10172	4.8
110.07166	10.2
111.08080	7.4
113.09652	1.1
115.05508	0.9
116.07103	2.5
117.07025	13.1
119.04922	2.3
119.08553	3.7
120.08091	3.3
121.06496	2.4
121.09327	1.2
121.10147	15.3
121.11010	0.9
122.07220	0.8
123.08034	1.3
123.11720	7.4
125.09634	1.6
129.07007	1.8
129.10226	2.4
131.04941	5.9
131.08568	11.7
132.05643	1.8
133.06450	2.1
133.10146	14.7
135.08035	2.2
135.11691	11.8
136.06171	3.3
137.06483	3.0
143.11824	1.4
145.06459	3.3
145.10155	1.0
146.99661	0.8
147.08121	0.9
147.11632	1.8
149.01259	0.9
149.09616	1.7
149.13268	32.8
151.02158	4.9
151.11217	2.0
153.04077	1.7
156.07747	1.1
157.06474	1.3
159.11705	16.4
163.02124	18.3
163.03679	0.9
165.03708	1.3
167.14333	1.5
171.32935	0.7
177.12759	6.7
179.08536	0.8
181.06322	1.1
182.07236	0.8
184.07344	1.2
185.09816	1.1
195.13821	9.6
207.08063	1.5
208.08871	1.3
213.14885	2.1
223.07616	1.3
223.15440	0.8
225.09120	2.8
237.00871	0.9
239.10614	5.2
251.10777	5.5
251.14973	0.8
251.19958	1.1
252.06833	2.7
269.08197	1.2
269.11237	1.5
269.13995	2.2
269.17468	35.3
269.24658	1.1
270.17548	1.8
290.34558	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03942	3.5
55.01868	3.6
55.05511	20.9
56.96559	1.7
57.03146	1.7
57.03431	31.5
57.07066	5.4
64.69461	1.4
65.03926	2.5
67.05501	75.4
67.80139	1.3
69.07062	28.5
71.04990	8.1
71.59761	1.7
79.05489	50.2
81.03400	3.4
81.07051	100.0
83.04968	9.3
83.08617	20.3
85.06535	6.2
91.05470	26.1
93.07037	63.3
95.04967	10.9
95.08595	26.9
97.06522	16.5
97.10185	2.2
99.08089	5.2
105.07036	11.0
107.04929	2.3
107.07861	1.9
107.08587	34.0
109.06547	4.4
109.10155	5.6
111.08078	8.0
117.06998	8.6
119.08563	2.9
120.99444	1.6
121.10124	22.8
123.11698	4.3
131.08551	9.8
133.10117	12.9
135.08067	2.3
135.11684	11.5
136.06151	2.4
145.10135	2.4
147.11725	1.8
149.13240	43.9
151.11172	1.5
157.10107	2.1
159.11676	18.9
167.14334	1.9
171.11702	1.4
177.12743	9.9
185.13358	2.0
195.13792	14.2
239.72540	1.6
251.20097	2.0
269.13019	2.5
269.17410	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.49659	1.3
53.03922	3.7
55.01849	2.2
55.05510	21.2
57.03431	30.8
57.07061	3.7
65.03908	2.2
67.05499	76.2
69.06727	1.5
69.07069	28.3
69.62978	2.7
69.63383	6.8
71.04972	6.0
79.05060	2.3
79.05489	45.5
81.03403	2.3
81.07051	100.0
83.04983	9.9
83.08613	20.9
85.06506	5.0
91.05476	30.6
93.07037	66.8
94.62841	1.4
95.04961	9.2
95.08602	23.5
97.06531	14.8
97.10138	1.6
99.04452	1.5
99.08052	3.2
105.07022	13.7
107.08585	33.8
109.06493	4.9
109.10124	5.0
111.08067	8.3
115.07685	1.3
117.07024	11.7
119.08576	2.6
121.06460	2.1
121.10124	20.7
123.11652	3.3
124.21513	1.4
129.07051	1.6
131.08557	11.2
133.10127	13.0
135.08057	2.8
135.11705	12.4
139.11092	1.7
149.13246	37.3
151.11130	2.4
153.09081	1.6
157.10150	1.4
159.11670	22.1
167.14262	1.6
177.12755	8.8
195.13751	13.8
197.63110	1.3
198.99553	1.4
269.12967	2.0
269.17422	50.0
291.09799	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1744
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03929	4.4
55.01852	4.0
55.05261	1.6
55.05505	26.8
56.96542	3.2
57.03432	29.1
57.07060	3.2
62.40094	1.3
64.26445	1.2
65.03928	3.0
67.05498	83.4
69.03436	1.4
69.07063	27.6
69.63084	9.9
71.04993	7.6
74.91235	1.2
79.05486	45.4
81.03405	1.9
81.07048	100.0
83.04985	10.1
83.08208	1.6
83.08613	18.7
85.02847	1.5
85.06527	6.2
89.02375	2.5
89.94990	1.2
91.05466	29.8
93.07033	70.3
95.04954	7.6
95.08041	1.8
95.08601	26.1
97.06527	16.1
97.10145	3.6
98.20774	2.7
98.97557	3.3
99.08079	4.9
105.07021	12.2
107.04905	1.9
107.08585	38.9
109.06486	3.8
109.10137	6.5
111.08061	8.3
111.11645	1.2
113.05925	1.8
113.09615	1.8
116.98598	2.1
117.06987	11.5
119.08563	7.3
121.10133	20.1
123.07983	2.6
123.11655	4.1
131.08566	11.9
133.10118	14.2
135.08008	2.7
135.11673	12.6
138.10097	1.3
143.08534	3.5
145.10088	2.9
147.11676	4.6
149.09608	1.5
149.13249	41.1
151.13098	1.2
157.10182	3.1
159.11671	26.8
161.13277	3.2
168.98602	4.0
171.11662	2.9
173.01695	2.3
173.13281	1.5
175.14774	3.0
177.12730	12.3
179.14238	1.4
185.13292	1.7
191.14471	1.8
195.13763	12.9
199.14812	2.2
200.60428	1.3
205.88574	1.2
211.10957	1.1
213.16493	2.3
231.08945	1.7
232.65016	1.5
233.15218	1.3
249.08725	1.7
258.09198	2.2
269.05026	1.5
269.17441	45.4
269.22409	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	269.1746
Annotation	Trichotriol
Peak:m/z	Relative Intensity
52.54454	2.2
53.03945	3.9
53.26260	2.0
55.01864	3.6
55.05513	24.5
56.38079	2.1
57.03436	33.9
57.07072	4.0
67.05505	82.9
69.03436	2.1
69.07064	30.3
69.34738	8.3
69.35168	14.4
71.04978	9.0
71.09982	2.1
71.91533	2.1
79.05493	46.7
79.20861	2.3
81.03412	2.8
81.07056	100.0
83.04971	9.1
83.08607	21.1
85.02911	2.4
85.06541	6.4
89.86851	2.5
91.05486	33.4
91.91425	2.3
93.06481	4.7
93.07043	76.3
93.73827	2.0
95.04955	8.6
95.08602	22.8
97.06531	22.0
97.10162	2.8
99.08102	4.2
105.07021	10.4
107.04978	3.6
107.08589	36.7
109.06536	2.2
109.10139	3.9
111.08092	7.3
117.07047	11.4
119.08564	2.7
121.10155	20.3
123.11730	4.5
131.08578	14.3
133.10139	14.5
135.11678	13.0
147.11685	2.8
149.13264	33.2
159.11711	24.7
177.12775	12.0
177.84738	2.6
190.00116	2.2
195.13840	7.0
196.70483	2.4
251.10358	2.5
251.16373	5.7
269.17444	32.1
269.22549	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	269.1746
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03932	3.4
54.03342	1.8
55.01871	3.4
55.05266	2.1
55.05512	23.3
57.03192	2.6
57.03441	33.2
57.07063	3.9
60.84586	1.4
65.03927	3.0
67.05506	78.0
69.03397	1.6
69.06727	2.1
69.07072	29.2
69.78583	9.1
71.05001	8.0
73.31289	1.4
79.05496	47.9
81.03401	2.3
81.07059	100.0
83.04987	12.3
83.08625	21.4
85.06543	4.3
91.05478	26.7
93.07047	68.2
93.07637	3.4
95.04948	8.1
95.08611	24.2
97.06542	17.0
97.10173	2.7
98.21394	3.1
99.08082	5.4
105.07021	9.6
107.08591	35.5
109.06520	4.0
109.10162	5.5
111.08092	10.2
117.07025	13.3
119.08606	2.9
121.10144	18.8
123.11683	4.4
129.29352	1.6
131.08578	12.1
133.10138	12.7
135.08078	2.0
135.11702	12.3
149.13261	37.6
151.11128	2.6
157.10123	1.7
159.11714	21.9
167.14310	2.3
177.12767	10.3
195.13805	10.8
269.17511	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03939	4.2
55.01871	4.9
55.05513	22.0
57.03437	33.8
57.07072	3.6
65.03924	4.6
67.05507	82.8
69.03434	3.3
69.07075	27.9
70.77268	6.2
71.05000	5.1
79.05492	52.8
81.03436	2.4
81.07059	100.0
83.04974	9.9
83.08606	18.5
85.06539	5.4
91.05482	39.9
93.07042	70.9
95.04967	12.5
95.08604	26.0
97.06532	22.8
99.08088	5.2
105.07043	13.5
107.04980	3.2
107.08596	34.5
109.06517	6.7
109.10176	6.9
111.08086	11.8
117.07009	16.7
119.08607	4.1
121.06493	2.4
121.10144	15.8
123.11714	4.1
124.70933	2.1
131.08582	19.9
133.10136	21.2
135.08044	3.1
135.11682	13.0
136.06174	3.0
145.10144	2.0
149.13263	35.0
151.11179	3.2
159.11690	29.6
163.44508	2.1
176.66299	2.1
177.12718	12.2
179.14320	2.2
195.13773	10.4
219.04482	2.2
223.07491	2.3
251.16414	2.0
269.17484	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.6
55.01852	4.5
55.05511	24.6
56.96547	10.2
57.03441	30.2
57.07059	8.2
59.44740	3.1
67.05500	86.0
69.03428	5.0
69.07079	33.8
70.06583	12.0
70.71036	3.8
70.71379	11.5
71.04972	8.5
72.08153	4.8
79.05069	4.0
79.05494	53.8
81.03386	6.9
81.07056	100.0
83.04962	5.9
83.08630	17.8
84.08151	5.7
85.06542	9.5
86.09713	5.8
91.05480	34.1
93.07048	70.4
95.04952	14.2
95.08616	31.4
95.42799	3.7
97.06508	15.5
97.10175	4.0
105.07062	18.7
107.04942	16.1
107.08588	33.7
109.06491	5.3
109.10136	8.2
111.08057	8.6
115.05371	3.5
117.07004	15.0
119.08507	3.3
121.00694	4.1
121.10139	12.0
123.11716	6.0
131.08540	19.0
133.10121	14.7
135.11684	15.5
136.06139	7.0
149.13254	32.8
156.16869	3.7
159.11652	19.7
177.12737	11.2
189.17627	4.0
195.13768	10.0
204.71878	3.8
221.09818	3.4
228.72682	3.5
243.10646	5.2
269.10797	4.5
269.13559	67.3
269.17456	41.5
287.11539	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03943	4.3
55.01859	3.7
55.05509	26.2
56.96565	13.2
57.03184	2.6
57.03439	29.6
57.07071	3.6
65.03930	3.7
67.05503	73.7
69.07072	26.6
71.04449	3.6
71.04987	9.0
79.05065	3.3
79.05494	45.9
81.03432	3.0
81.07054	100.0
83.04968	11.6
83.08612	15.3
85.06532	5.3
91.05480	25.2
93.06471	3.7
93.07046	67.5
95.04958	11.2
95.08614	23.7
97.06523	15.1
99.08074	3.0
105.07020	9.5
107.08604	34.2
109.06496	5.2
109.10133	3.7
109.34788	2.1
111.08080	6.9
117.07043	11.0
119.08601	4.4
121.10129	16.7
123.11701	3.4
131.08601	10.7
133.10159	10.8
135.11682	10.8
146.24541	1.9
149.13243	39.5
159.11685	20.7
167.58911	2.2
177.12708	9.4
195.13783	14.9
199.14879	2.7
227.09552	5.3
245.10596	8.8
266.59204	2.1
269.17413	34.1
278.59482	2.1
287.11621	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	269.1743
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03922	3.8
55.01839	3.0
55.05502	21.7
57.03428	31.7
57.03694	1.1
57.07064	4.7
60.55007	0.9
61.41286	0.7
65.03913	2.3
67.05492	74.6
69.03407	1.6
69.07056	27.5
70.17141	1.4
70.17552	3.0
71.04990	6.0
71.08612	1.3
79.05479	48.0
81.03403	1.9
81.07042	100.0
83.04552	0.9
83.04972	10.4
83.08141	1.0
83.08608	18.6
85.06522	6.4
91.05463	27.4
93.07027	68.8
95.04954	8.2
95.08596	27.2
97.06503	16.2
97.10152	2.5
99.04398	0.9
99.08110	4.4
105.07009	11.0
107.04886	1.1
107.08575	30.8
109.06481	3.5
109.10150	5.0
111.08042	8.4
113.05965	1.8
113.09635	0.9
117.06998	9.5
119.08558	4.6
121.06437	2.3
121.10122	19.3
123.07991	1.0
123.11719	4.5
125.09570	1.2
126.06787	0.8
127.07533	0.9
131.08551	12.0
133.10098	12.4
135.08031	2.1
135.11676	12.3
135.54553	0.9
137.06352	0.8
139.11127	1.9
145.10126	1.6
147.11597	1.8
147.48532	0.8
149.09538	1.7
149.13235	40.0
150.13586	1.0
151.11107	1.8
155.34305	0.8
157.10045	1.2
159.11665	20.3
161.13118	1.0
167.14308	1.7
177.12715	9.9
179.14301	1.3
191.71297	0.9
195.13780	12.8
196.12299	0.8
213.14767	2.0
227.60448	0.9
237.08875	0.9
251.16429	0.9
251.19981	1.1
263.64023	0.8
269.17377	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1744
Annotation	Gallicynoic acid B
Peak:m/z	Relative Intensity
53.03938	6.3
55.01868	8.1
55.05514	37.4
56.96568	7.8
57.03436	30.5
57.07069	9.3
59.04984	3.5
61.02913	9.8
65.58357	3.3
66.26456	3.2
67.05509	75.6
69.03445	9.2
69.07067	46.9
70.06581	7.9
70.54158	9.4
70.54521	3.4
71.05005	18.2
72.08153	5.7
79.05500	57.8
81.03468	4.3
81.07059	100.0
83.04990	17.9
83.08630	17.5
84.08154	6.4
85.06537	10.0
86.09693	4.5
91.05492	37.9
93.07040	68.4
95.04971	31.8
95.08614	47.0
97.06552	26.1
100.11278	6.9
105.07044	20.7
107.04965	30.4
107.08583	47.7
109.06520	10.0
109.10187	25.5
110.07196	4.8
111.08094	17.6
113.06007	7.8
115.05464	6.3
115.07570	3.9
117.07011	13.2
119.08557	23.1
121.06480	16.8
121.10143	36.3
123.08081	14.5
123.11718	12.3
127.11207	11.7
129.07033	4.1
131.04941	6.8
131.08600	23.0
133.06525	5.4
133.10156	30.7
135.08078	21.8
135.11745	20.5
136.06204	13.4
137.06578	6.3
137.09621	14.9
139.11183	8.1
141.06892	3.9
143.08481	4.9
145.06502	5.9
145.10126	10.3
147.11676	24.0
149.09624	17.2
149.13272	32.9
151.11230	7.7
157.10208	3.8
159.08015	6.2
159.11705	22.8
161.13194	4.6
163.11122	5.5
167.10588	4.4
173.13277	18.1
174.07391	3.7
177.06944	4.3
177.09117	3.7
177.12834	5.7
183.08171	4.2
187.11343	4.1
187.14880	7.0
189.12802	5.2
191.14317	82.0
195.13797	9.5
200.18277	3.3
205.15919	6.9
215.14383	9.5
223.07559	4.4
231.10893	5.7
233.15392	12.5
239.10620	4.4
241.73125	3.8
251.09677	4.2
251.16510	7.4
251.20117	4.3
264.60434	3.6
269.11371	6.1
269.13837	19.3
269.17422	28.9
287.11664	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	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03923	2.8
55.01862	4.4
55.05264	1.7
55.05508	21.8
56.96542	2.3
57.03431	26.8
57.07051	3.3
65.03919	2.6
67.05499	71.0
68.05788	0.8
69.03421	1.7
69.07061	24.6
70.04050	3.5
70.06580	0.8
71.04982	8.5
71.60309	1.7
73.02903	1.1
75.00030	4.3
76.00368	0.8
76.99718	3.2
77.03898	0.7
79.05487	47.4
81.03404	3.7
81.07050	100.0
82.06530	0.9
82.07404	1.0
83.04980	7.9
83.08607	18.1
85.02898	0.9
85.06542	5.9
86.09716	0.8
91.05470	30.0
93.07034	63.5
95.04954	10.6
95.08597	23.4
97.02862	1.0
97.06524	14.7
97.10162	2.4
99.04430	1.2
99.08079	3.6
103.05432	1.6
105.07019	12.7
107.04955	5.7
107.08584	31.2
109.06496	2.9
109.10160	5.6
110.06043	1.0
111.08078	7.6
111.86501	0.9
113.09655	0.8
115.05422	1.5
117.07012	10.8
119.08556	3.8
121.06473	2.4
121.10139	12.4
122.09676	1.1
123.08029	1.1
123.11698	5.7
125.09650	0.8
131.08565	14.8
133.10124	16.0
135.08051	3.5
135.11668	13.2
136.06158	2.4
137.06549	1.2
139.11215	1.7
145.10068	1.6
149.09587	2.0
149.13246	28.9
151.11174	3.3
159.11682	24.7
161.13243	1.9
177.12740	12.2
179.14230	1.9
194.04721	1.3
195.13774	10.3
212.04677	1.5
213.14801	2.5
227.06972	6.2
234.15051	1.0
251.20186	1.0
252.15923	5.5
255.06494	5.5
269.04291	2.9
269.08096	3.1
269.10989	1.6
269.13632	5.2
269.17438	50.2
270.03690	5.2
270.08734	7.3
270.17072	4.9
287.11533	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1744
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
52.40346	1.0
53.03916	3.7
55.01841	4.6
55.05505	21.9
56.96537	1.2
57.03430	29.1
57.07040	4.5
64.77248	0.9
65.03930	2.5
66.40755	1.1
67.05495	81.4
68.59842	1.2
69.03398	1.8
69.07060	28.2
70.04066	59.2
70.35518	3.6
70.35881	1.8
71.03747	3.0
71.04394	6.7
71.04978	8.2
71.08601	1.5
73.02876	1.4
79.05482	43.9
81.03392	1.6
81.07046	100.0
82.07343	1.1
83.04967	10.5
83.08617	20.5
85.06506	4.8
91.05468	28.3
93.07030	68.8
95.04951	6.6
95.08595	28.5
97.06521	17.0
97.10119	3.1
99.08043	3.7
105.07021	13.1
107.04932	1.2
107.07872	2.0
107.08578	38.2
109.06483	4.1
109.10110	6.5
111.08060	8.8
113.05936	1.5
113.09599	1.6
115.05412	1.3
117.06986	9.7
119.08532	4.6
121.06467	1.2
121.09325	1.7
121.10123	20.8
123.08069	1.6
123.11674	5.4
127.01254	1.1
129.06937	1.4
131.07727	1.0
131.08554	12.8
133.10118	14.4
135.07990	2.2
135.11674	13.2
139.11156	2.8
142.07690	1.4
143.08496	1.8
145.10008	1.5
147.11592	3.1
149.09610	1.6
149.13235	40.5
151.11053	2.2
157.10027	3.5
159.10451	1.5
159.11664	24.7
161.13219	2.0
162.98807	2.9
167.14159	1.1
171.03189	1.1
171.11604	2.1
173.13200	2.2
177.11424	0.9
177.12746	11.7
179.14218	1.6
185.13214	1.3
194.10736	1.1
195.13785	14.1
211.14832	1.4
213.12772	1.4
213.14650	1.7
269.17319	48.7
269.22388	2.9
287.15134	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03931	3.0
55.01854	3.0
55.05255	1.7
55.05505	21.1
56.11172	1.1
56.96579	1.8
57.03435	35.8
57.07072	5.2
62.91438	1.1
65.03913	2.3
67.05502	73.7
69.03425	1.9
69.07064	31.5
70.04052	3.6
70.66488	3.9
71.04981	7.2
71.76156	1.0
74.29928	0.9
79.05488	45.9
81.03385	2.0
81.07054	100.0
83.04977	8.8
83.08615	18.3
85.06535	6.5
91.05476	25.3
93.07040	72.5
93.07529	1.0
95.04978	6.9
95.08039	2.1
95.08597	23.3
97.05968	1.9
97.06530	14.0
97.10167	3.1
99.08096	5.8
102.36356	1.0
105.07032	9.1
107.08588	35.9
109.06496	4.6
109.10142	5.3
111.08077	8.1
117.07010	8.0
119.08566	3.6
121.06496	2.3
121.10137	21.6
123.08070	1.4
123.11713	3.1
125.09550	1.3
131.08563	10.2
133.10124	9.7
135.08044	1.8
135.11697	12.3
139.11174	2.2
145.10101	1.3
147.11658	1.7
147.69008	1.0
149.13251	45.5
157.10143	1.9
159.11688	20.3
171.11668	1.3
177.12762	6.9
182.12521	1.3
195.13785	9.1
214.12502	1.4
243.09000	3.5
261.10138	2.8
264.71384	1.2
269.13113	7.2
269.17462	39.6
269.22116	6.8
274.20093	1.1
278.23538	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1744
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.81651	1.3
53.03938	3.6
53.41507	1.2
55.01846	3.2
55.05260	1.6
55.05505	24.5
56.96567	2.4
57.03431	27.1
57.07066	3.7
62.58684	1.2
65.03926	2.9
67.05498	74.9
69.03371	1.3
69.07062	31.4
69.32400	1.7
69.32807	12.0
70.04068	22.9
71.04410	1.4
71.04984	6.7
71.08617	2.2
74.72632	1.2
79.05483	47.2
81.03415	3.2
81.07049	100.0
83.04971	10.0
83.08604	19.8
85.02909	1.9
85.06520	5.4
91.05466	28.0
93.07035	70.6
95.04964	9.1
95.08594	25.6
97.06517	14.5
97.10168	2.9
99.08077	5.5
105.07011	15.6
105.99512	1.4
107.04913	2.9
107.08581	35.8
109.06525	3.8
109.10142	8.3
111.08083	9.6
113.09616	2.2
117.07006	13.0
119.08608	7.2
120.53146	1.2
121.06539	1.4
121.10137	19.8
123.08055	1.6
123.11668	5.0
125.09583	1.8
131.08551	14.9
133.10103	15.1
135.08064	2.4
135.11678	14.4
136.48048	1.4
139.11151	1.7
143.08586	1.3
145.10126	4.7
147.11664	4.6
148.12132	1.4
149.09575	1.4
149.13242	39.3
151.11174	2.7
157.10176	3.0
159.11671	22.5
159.12987	1.4
161.06081	1.2
161.13275	2.4
165.12773	1.4
171.03300	1.8
171.11659	2.9
173.13199	5.2
177.12759	9.3
183.11678	1.4
185.13309	1.8
187.11180	1.3
195.13803	13.4
199.14806	2.6
209.13286	1.7
213.14691	1.8
213.16443	1.9
227.78688	1.2
241.19579	1.7
251.07251	2.0
261.13596	1.4
269.08298	4.1
269.17297	37.2
269.22284	10.3
270.17468	1.6
273.13849	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Trichotriol
Peak:m/z	Relative Intensity
50.26330	0.9
50.60371	0.8
50.78650	0.9
53.03928	2.7
55.01852	4.0
55.05268	1.2
55.05508	20.7
56.96560	1.1
57.03434	31.1
57.07058	4.0
65.03924	2.0
67.05502	80.9
67.80023	0.9
69.03420	2.3
69.07067	31.2
70.04050	3.1
71.04989	7.2
71.08615	1.5
72.93782	1.0
74.11645	1.0
79.05490	52.1
81.03407	2.5
81.07053	100.0
83.04980	11.8
83.08613	18.2
85.02878	1.7
85.06527	5.2
91.05476	28.8
93.07039	72.4
94.07339	1.6
95.04967	8.3
95.08602	27.9
97.06536	14.9
97.10140	3.0
98.59319	1.0
99.04375	0.9
99.08076	5.1
104.95338	0.9
105.04482	1.0
105.07018	13.5
105.81602	0.9
107.08591	35.9
109.06495	4.4
109.10144	5.7
111.08073	9.2
111.74243	0.9
113.09622	1.8
117.07017	12.7
119.08567	4.2
121.06503	1.9
121.10134	20.8
123.08055	1.1
123.11675	4.2
125.09589	1.3
129.06956	1.2
131.07681	1.6
131.08562	14.8
133.10123	13.2
135.08011	2.6
135.11674	12.1
136.06169	1.4
139.11186	1.1
145.10057	2.4
147.11682	1.3
149.09601	1.1
149.13255	43.3
150.13528	1.1
151.11166	2.6
157.10036	2.4
159.11678	21.9
161.13228	1.3
167.14348	1.7
171.11679	1.1
177.12724	11.8
179.14304	2.0
185.13289	1.3
195.12016	1.5
195.13789	13.4
223.63252	1.1
241.19461	1.3
243.12607	1.5
251.20148	1.2
261.13705	4.8
269.12662	2.3
269.17416	46.8
269.22351	2.3
273.13608	1.1
287.15186	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.3
53.03936	4.2
55.01866	3.2
55.05255	1.8
55.05507	20.5
57.03435	26.0
57.07063	2.7
59.04976	1.2
63.41661	0.9
64.18552	1.0
64.29770	0.9
65.03921	3.1
67.05500	78.6
69.03410	2.4
69.06726	1.3
69.07069	22.8
70.06599	1.3
71.04990	6.9
71.08616	1.0
71.60366	1.1
72.68744	0.9
73.02892	1.0
79.05489	43.7
79.05956	2.2
81.03406	3.0
81.07054	100.0
83.04988	7.7
83.08614	19.1
84.08127	2.9
85.06548	5.4
86.09681	1.7
91.05478	32.1
93.07037	66.1
95.04967	7.4
95.08604	27.0
97.02843	1.1
97.06535	15.3
97.10167	1.9
99.08074	4.2
105.04509	1.2
105.07012	12.6
107.04946	7.4
107.08577	31.5
109.06497	2.9
109.10155	5.1
111.08076	8.6
113.09625	1.2
117.07009	11.7
119.08547	3.4
120.64728	1.0
121.02804	1.1
121.06482	4.0
121.10133	14.1
122.06879	2.1
123.08019	1.4
123.11732	5.4
127.07565	1.6
129.06967	1.0
131.08554	15.7
133.10118	18.1
135.08029	2.8
135.11693	14.2
137.05902	1.5
147.11668	1.5
149.09595	1.6
149.13249	34.2
151.11198	2.5
159.11673	23.1
161.13164	1.7
167.14330	1.5
177.12756	12.6
179.96428	1.2
191.06996	1.8
195.13788	13.6
213.14723	1.3
219.06427	1.3
239.63110	1.1
251.09132	1.7
269.08121	2.5
269.12857	2.9
269.17450	50.8
270.13348	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03949	3.8
55.01884	2.8
55.02102	0.6
55.05507	23.4
56.05836	0.6
56.96552	1.1
57.03433	25.6
57.07072	3.3
59.04992	0.5
65.03947	2.9
67.05499	70.7
69.03422	1.7
69.07063	24.6
70.06561	0.6
71.04992	6.0
71.08629	1.1
71.59791	1.0
73.02905	1.1
75.00041	0.7
79.05487	43.0
81.03410	3.3
81.07050	100.0
82.07381	1.4
83.04976	7.1
83.08612	19.4
83.09109	0.9
84.04527	0.7
84.08128	0.8
85.02882	0.9
85.06540	5.3
86.09705	0.7
91.05475	30.1
93.07037	62.6
95.04953	8.2
95.08600	24.2
95.09213	0.7
97.06522	15.7
97.10168	2.9
98.09676	0.6
98.97556	0.9
99.04482	1.1
99.08074	3.9
100.11256	1.3
102.19299	0.5
103.03935	0.8
105.07020	11.1
107.04946	3.0
107.08585	29.7
109.06511	3.7
109.10145	5.6
111.08076	9.3
111.08832	0.7
113.06004	1.1
113.09652	1.2
115.05397	0.7
116.98557	1.0
117.07007	12.2
118.99307	0.5
119.04926	0.8
119.08537	3.1
120.08073	1.2
121.02889	0.7
121.06519	1.8
121.10130	13.4
123.08057	1.4
123.11716	5.3
125.09618	0.8
127.07552	0.9
129.06987	0.7
131.08556	13.1
133.10121	18.0
134.99617	1.1
135.08096	2.6
135.11679	13.8
136.06194	1.1
139.11099	0.7
147.04391	1.9
147.11688	0.7
149.09583	1.5
149.13251	33.2
151.11148	2.2
155.44742	0.6
157.10092	0.9
159.11681	22.9
161.13249	1.7
167.14304	1.3
177.11182	1.0
177.12729	15.6
179.14302	1.2
187.08145	0.6
190.09514	0.7
191.07095	1.1
195.13789	12.2
201.09724	0.9
207.08633	1.0
213.14874	1.8
219.10713	0.9
225.09630	2.1
225.16721	1.7
229.01559	0.6
230.14729	0.6
230.64386	0.6
239.15442	1.6
243.10796	14.7
244.11096	0.7
248.15894	1.1
251.09142	0.7
251.12567	1.8
251.16440	0.8
261.11752	3.0
266.12317	1.0
269.13531	5.9
269.17438	54.8
270.17734	0.7
289.72278	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1016
Annotation	Cardiobutanolide
Peak:m/z	Relative Intensity
51.49007	1.6
52.17403	1.5
53.03933	3.5
55.01861	3.1
64.90530	1.5
67.05506	2.3
69.03423	24.4
70.06577	1.8
70.90506	4.7
71.04995	2.1
71.97563	1.7
75.78047	1.4
77.02451	1.9
79.05470	3.8
80.57419	1.6
81.03392	6.9
81.90408	1.5
84.08142	3.0
85.02879	3.0
91.05477	15.7
93.07020	10.2
95.04961	8.1
95.08622	2.3
99.04469	4.0
103.03934	3.0
105.07024	3.4
106.08681	2.1
107.04953	100.0
108.05273	2.5
110.07155	2.8
115.05428	3.7
119.04916	7.3
120.08125	2.6
121.06516	10.7
121.07245	1.5
121.10181	1.8
128.06175	3.1
129.07013	3.0
131.04924	3.5
131.08595	1.9
133.06465	5.1
135.04416	41.7
136.06148	2.0
137.05865	4.7
141.06958	3.7
144.05637	12.6
145.06454	6.7
147.04404	41.0
149.05963	24.2
151.03899	12.7
157.06522	4.6
159.08069	3.2
161.05978	2.7
165.05463	6.9
169.06470	2.7
173.05965	8.5
175.01558	1.7
185.05946	10.3
187.07561	4.7
203.07014	6.8
215.07004	9.1
233.08075	4.0
269.10236	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
55.01844	3.5
55.05508	2.3
56.17679	2.3
57.03420	6.0
57.07050	2.9
67.05491	4.3
69.03432	19.8
69.07049	6.3
70.06586	5.1
71.04989	2.8
71.59810	3.1
72.08132	4.0
78.97793	2.3
79.05473	6.7
81.03400	6.1
81.07049	6.6
84.04521	2.8
84.08133	8.7
85.02888	7.3
86.09702	5.5
90.31577	2.1
91.05482	16.4
93.07028	9.0
95.04955	9.6
95.08582	4.0
96.66187	2.3
101.12984	2.3
102.23588	2.5
103.05474	4.4
105.07088	2.2
106.08640	9.4
107.04950	100.0
107.09061	4.6
109.10114	2.9
110.07164	3.8
111.04434	2.7
115.05476	4.7
117.03332	3.4
119.04917	11.5
120.08109	7.2
121.06465	17.2
121.10001	2.2
122.06805	10.7
123.04412	6.3
128.06209	4.8
131.04927	4.9
133.06458	6.1
135.04414	37.4
136.06194	5.1
136.07523	2.5
137.05896	4.9
139.09482	3.2
141.07008	4.5
144.05675	8.1
145.06496	6.7
147.04376	33.3
149.05956	24.6
151.03915	11.9
153.05370	2.7
154.04967	3.6
157.06439	7.8
159.08080	4.6
163.03909	3.3
165.05478	4.8
173.05940	6.9
177.05479	11.4
180.04039	2.6
185.05977	6.1
187.07506	6.4
195.06419	3.4
203.06990	5.0
204.27890	2.2
215.07047	7.2
223.07646	4.7
223.11621	5.2
233.08047	2.4
234.07523	3.3
269.07870	5.7
269.10300	13.7
269.14417	3.3
270.08527	2.7
280.20309	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.01860	2.1
55.05266	0.8
55.05511	12.2
55.93520	5.5
56.94310	7.0
56.96545	1.0
57.03434	10.8
57.07066	2.2
67.05501	33.1
68.94298	1.6
69.03403	1.1
69.07063	11.4
70.04076	9.9
70.72103	0.8
70.95858	14.3
71.04392	2.2
71.04973	2.5
71.92999	2.5
72.93783	28.4
79.05492	19.0
81.03402	3.9
81.07053	42.6
82.07345	0.9
82.95840	0.9
83.04963	4.0
83.08611	7.3
85.06524	1.9
88.96899	7.7
90.94821	20.8
91.05479	17.6
93.06462	1.5
93.07040	27.5
95.04972	4.8
95.08600	14.3
97.06535	5.8
97.10136	1.5
99.08056	0.9
100.96864	0.8
102.94783	1.0
105.07025	9.9
106.97932	1.1
107.08594	14.0
107.95078	1.2
108.95840	8.1
109.06537	1.9
109.10130	3.2
111.08069	2.8
113.05987	0.9
113.96374	2.3
116.96349	3.6
117.07027	4.7
118.94256	0.9
119.08542	3.7
120.95882	0.9
121.10145	8.3
123.11658	2.2
125.09537	1.0
126.98438	5.8
128.96284	4.2
130.97876	2.5
131.08528	5.6
131.97421	1.6
132.95836	1.6
133.10101	5.5
134.97375	3.7
134.98911	1.4
135.08034	1.8
135.11703	4.0
136.06137	1.3
138.98405	4.9
140.99991	1.9
142.97887	2.1
143.08531	2.3
144.95825	2.2
144.99454	8.3
145.10172	1.6
146.97385	3.2
146.98901	1.3
147.11696	2.3
148.98970	4.8
149.00443	1.5
149.13248	12.4
150.96898	1.5
150.98378	2.0
151.02034	9.6
152.96309	0.9
154.97858	1.8
156.99483	1.6
157.10136	1.8
158.97501	0.8
159.01022	3.1
159.11705	9.3
160.99004	1.8
161.13203	1.1
162.96820	2.5
163.02005	2.1
164.98660	1.7
164.99985	13.0
165.03607	5.9
166.97949	3.3
168.99463	2.5
170.97394	3.2
171.01022	1.7
171.11726	1.5
172.98926	2.4
173.13348	1.2
175.00584	1.1
175.02054	1.5
176.98404	1.4
177.12727	3.3
178.97890	6.4
179.01546	3.5
179.05167	3.5
180.99384	2.3
183.98180	1.3
184.98981	3.6
185.13351	1.2
186.01254	4.8
187.00531	2.7
188.98412	1.5
191.00008	1.4
192.99475	3.6
195.01031	2.4
195.13792	4.7
196.98953	1.7
199.00418	2.4
199.02109	3.2
199.03790	0.8
201.01865	1.6
201.03613	22.5
201.05511	1.5
203.05139	6.4
205.06767	0.9
206.15511	0.9
207.01065	2.4
209.02548	1.1
211.00594	1.1
213.02168	2.1
213.16405	1.5
221.02556	1.2
227.03641	3.9
227.17836	0.9
229.23221	1.5
245.04723	3.4
246.05038	1.7
247.04128	2.7
249.05745	6.9
251.07286	57.3
255.06682	1.8
257.08307	10.8
263.03479	1.0
265.05209	1.6
267.06793	8.4
269.08334	100.0
269.17371	12.8
269.22476	6.9
270.08527	1.3
275.09503	1.0
280.10037	1.2
287.09354	9.1
292.09915	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	269.0767
Annotation	Portulacaxanthin III
Peak:m/z	Relative Intensity
53.03924	5.9
55.05499	8.1
56.31855	3.6
59.36240	4.2
67.05508	7.0
68.05006	6.5
69.03402	3.8
69.07056	7.1
70.06578	15.0
70.91280	12.0
72.08138	6.4
74.02422	16.1
79.05477	10.4
80.04992	11.6
81.03410	4.6
81.07045	9.7
81.94772	3.7
83.08598	4.8
84.08127	6.8
91.05436	5.2
93.07076	4.0
94.06544	15.5
95.04954	6.4
95.08596	7.3
96.04486	8.9
97.10143	6.1
104.04977	8.6
106.06547	14.7
107.04950	6.5
108.04425	9.2
110.06051	5.1
110.07154	11.3
118.06503	6.9
119.04986	4.5
120.04483	5.6
121.07621	5.3
122.06042	21.4
123.06773	4.8
124.03954	11.1
131.06061	6.5
132.04424	24.1
133.05299	6.1
133.07602	10.9
134.03804	4.1
134.05992	26.0
135.05482	11.6
136.03954	8.6
136.06174	20.8
137.04874	5.4
137.06563	23.7
140.11911	4.2
145.05280	7.1
146.05988	16.1
148.03944	4.2
148.06294	4.7
149.04659	5.2
149.07095	18.1
150.05499	32.3
151.06223	4.0
156.07776	4.8
159.05554	9.2
160.03906	18.2
160.07646	5.2
161.04749	8.3
161.07092	18.6
162.03255	7.5
162.05498	100.0
164.03386	6.0
174.05515	6.0
177.06618	19.4
178.04990	61.7
179.05920	5.0
180.02927	18.3
187.05084	7.4
188.03360	10.9
189.06642	13.9
190.04874	6.4
190.07259	8.0
195.07611	7.5
196.06052	6.8
205.06097	22.3
206.04492	12.6
206.06685	6.5
207.07674	5.5
223.07118	52.1
223.10655	6.3
224.05356	6.4
235.06940	8.4
236.07896	18.8
249.62340	3.7
251.06699	13.4
269.07675	46.3
269.10883	11.8
270.95670	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
55.05508	1.6
56.05031	0.9
56.96570	0.8
57.03439	0.6
57.07065	0.4
58.06614	0.4
60.04517	0.4
67.05499	2.5
69.03432	0.8
69.07065	2.0
69.65266	1.4
69.65684	1.1
70.06592	1.4
71.04994	0.9
72.04506	3.1
72.93782	0.7
73.02920	1.2
74.06091	0.5
79.05475	2.5
80.04978	0.5
81.03406	2.9
81.07037	2.4
82.03753	0.9
82.06582	0.5
83.04967	0.7
83.08608	0.9
84.08139	0.4
85.02908	1.4
88.07635	1.0
91.05470	1.0
93.07030	4.0
94.06579	1.3
95.04976	1.0
95.08598	1.7
96.05331	0.5
96.08110	0.7
97.02878	0.9
97.06550	0.4
100.03976	0.6
102.05548	0.5
105.07047	1.2
106.08662	2.5
107.04961	1.3
107.08571	2.4
108.08108	11.2
108.08843	0.6
109.06485	0.7
109.08898	0.9
109.10155	1.0
110.07137	0.7
110.09680	1.7
116.98617	0.5
117.06976	0.4
119.08565	0.7
121.06486	0.8
121.10126	0.4
122.09652	8.9
123.10414	1.8
123.11680	0.5
124.11230	1.4
130.07327	0.5
131.00067	0.5
131.08551	0.5
133.10191	0.5
135.11684	3.1
136.05139	0.7
136.06177	10.2
136.11211	4.0
137.13222	0.4
140.07040	0.5
148.07774	0.5
149.01260	0.5
149.09587	0.4
149.12032	0.6
150.12761	18.9
151.13556	7.3
152.07079	1.3
152.14301	0.4
153.15099	0.4
156.10237	0.6
164.14384	0.5
166.08640	0.7
166.12259	0.5
167.09470	0.5
168.10118	0.4
170.11732	1.0
176.11485	0.5
178.15883	3.6
180.10179	1.6
181.11037	0.4
182.11761	1.2
194.11710	3.9
195.12509	1.2
196.13318	0.5
196.17000	0.4
222.14929	1.8
224.16434	100.0
224.61002	0.4
225.16884	2.1
226.18018	4.7
245.00972	0.9
245.04735	0.6
268.19037	48.5
269.19312	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
55.01875	0.5
57.03447	1.1
59.05009	0.2
60.04528	2.1
61.02915	0.9
62.77823	0.2
69.03425	2.5
70.06588	1.5
70.62032	0.8
71.01355	0.3
71.04990	5.8
73.02897	0.5
74.06084	0.5
81.03407	1.3
85.02899	5.1
85.08898	0.2
86.06042	0.8
87.04432	0.6
88.07626	8.1
88.81667	0.2
94.04050	0.5
97.02882	1.7
99.04438	0.3
104.07096	0.4
106.08664	29.6
109.02867	0.5
119.03542	1.0
127.03891	1.2
130.08646	0.8
133.04971	0.3
136.06180	100.0
137.04561	0.6
137.06508	0.8
145.04970	0.8
148.09662	1.5
206.10214	0.3
227.01378	0.2
232.11803	0.9
250.12871	1.4
268.10446	3.6
268.13907	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	268.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
55.01866	0.6
55.05519	2.0
56.96548	1.4
57.03423	0.9
58.06601	2.9
59.04982	0.4
59.07368	1.4
60.04515	1.0
61.02930	0.6
67.05504	0.8
68.46751	0.3
69.03426	1.0
70.06593	2.0
71.04996	2.4
71.06117	5.3
71.58695	0.3
72.04523	1.2
72.08151	0.5
73.02919	0.7
74.00665	0.9
74.02435	5.1
76.02241	0.7
77.00623	6.3
78.03766	0.7
79.05493	0.5
81.07050	0.6
83.04971	1.0
84.04501	1.6
84.08144	3.4
85.02893	3.8
86.06047	1.1
88.07631	3.1
91.05799	0.7
93.03746	0.6
94.04026	0.5
95.04962	1.4
97.02893	1.4
101.06007	3.6
102.03790	0.6
105.03327	0.6
105.81071	0.4
106.08002	0.8
106.08664	10.7
107.04955	5.7
108.05260	0.6
111.08119	0.5
116.07069	0.6
116.98629	0.8
118.03237	13.1
119.03588	0.4
120.01174	0.6
120.04783	0.9
120.08093	0.5
121.06488	0.9
123.04425	29.6
127.03947	0.6
128.10719	0.9
130.03212	1.7
130.08583	0.6
131.06354	0.5
132.04791	0.5
136.06181	100.0
137.04579	0.5
137.06580	0.9
144.06558	0.8
145.06860	0.5
146.11755	20.2
147.05862	29.2
147.41939	0.4
149.07434	5.1
151.98346	6.5
161.05911	0.4
162.07660	0.6
162.11246	0.6
164.06995	0.5
177.07823	2.8
181.04646	0.6
184.02867	0.5
197.04073	0.6
202.04022	0.4
205.04680	0.9
206.09933	0.9
206.11774	12.1
208.02820	0.5
222.07205	0.7
226.03915	0.9
239.05157	0.8
244.04918	0.5
247.00996	0.5
247.96289	0.5
250.14505	2.2
251.05121	0.9
268.07831	9.1
268.10464	4.0
268.15729	7.0
286.60162	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1038
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01815	0.1
57.03412	0.4
60.42295	0.1
62.81616	0.1
63.60817	0.1
67.13918	0.1
70.70332	0.1
70.70649	0.3
71.01344	0.2
85.02917	0.3
94.04049	0.6
108.44261	0.1
109.85270	0.1
119.03532	1.0
136.06180	100.0
137.04585	0.7
181.71844	0.1
200.43024	0.1
201.23584	0.1
268.10403	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	268.1037
Annotation	Vidarabine
Peak:m/z	Relative Intensity
53.03924	0.3
55.01856	0.5
57.03421	0.7
57.55126	0.2
58.06596	0.2
60.04519	2.2
61.02906	0.8
69.03415	1.9
70.06588	1.4
71.04984	5.3
71.43857	0.3
71.44198	0.2
71.47987	0.2
73.02906	0.6
74.06074	0.2
78.72242	0.2
81.03399	0.8
84.08121	0.3
85.02895	5.3
85.97762	0.2
86.06039	0.4
87.04449	0.3
88.07617	6.5
91.03938	0.3
97.02880	1.9
99.04449	0.3
104.07076	0.4
104.40090	0.2
106.08651	25.2
107.04919	0.3
108.94939	0.2
109.02852	0.6
119.03516	0.9
127.03897	0.8
130.08629	0.8
136.06163	100.0
137.04558	0.4
137.06558	0.3
145.04948	0.6
148.09657	1.3
199.15939	0.2
206.10213	0.3
232.11841	0.9
250.12746	1.0
253.20651	0.2
258.00510	0.2
268.07510	0.2
268.10388	4.3
268.13885	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	267.1954
Annotation	Juvenile hormone II acid
Peak:m/z	Relative Intensity
53.03945	5.6
55.01873	12.6
55.05513	22.8
56.96567	12.5
57.03437	11.6
57.07081	30.0
67.05508	59.5
69.03401	3.8
69.07072	28.7
69.49749	17.9
69.50175	8.2
71.04988	10.9
71.08633	73.9
73.32897	3.7
75.28799	3.3
79.05495	54.0
81.03419	21.1
81.07058	51.4
83.04973	12.6
83.08621	11.5
85.02901	4.6
85.06527	3.8
85.10184	92.8
91.05478	77.7
93.07041	69.2
95.04961	24.2
95.08611	48.7
97.06540	14.6
97.10175	6.4
99.08092	68.1
105.07019	24.6
107.04947	30.5
107.08614	23.8
109.06531	14.2
109.10152	20.4
109.10828	3.4
111.08056	4.4
111.11696	3.7
113.05990	3.5
113.09638	100.0
115.05434	5.7
117.07024	15.0
119.04993	4.6
119.08582	50.1
121.02907	4.5
121.06492	18.8
121.10136	14.8
122.17383	4.1
123.08089	4.2
123.11745	7.5
125.09635	6.3
129.07011	12.8
131.08598	7.3
133.06500	5.2
133.10130	34.5
135.08061	19.9
135.11676	8.9
136.06195	29.4
137.09624	25.9
139.11288	3.8
143.08559	5.1
145.06532	8.8
145.10144	7.0
147.08069	6.3
147.11708	13.3
149.09558	3.2
149.13278	4.5
151.11188	26.2
153.06955	7.8
153.12741	8.6
155.08578	11.3
157.10118	7.0
161.09657	7.0
165.07013	25.3
165.12743	34.8
167.14323	6.2
171.11810	4.2
175.11188	4.5
181.06517	5.0
183.08072	53.2
183.34225	3.1
189.16443	8.2
193.12321	4.2
200.93163	3.1
203.05891	4.2
203.17979	11.4
213.16379	6.8
221.15311	4.0
221.19002	4.7
224.08453	5.4
231.17456	13.3
239.07021	32.2
239.10753	4.1
249.18513	33.2
254.97726	3.4
267.06537	25.5
267.09427	12.2
267.15604	8.4
267.17743	4.1
267.19644	20.1
285.10135	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	267.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73791	2.4
55.05524	14.3
57.02567	2.6
57.03440	3.0
57.07057	3.2
67.05492	17.0
69.07063	5.9
71.60101	3.9
79.05492	31.7
81.03404	9.4
81.07062	100.0
83.04954	3.5
83.08604	7.3
86.13610	2.5
91.05470	9.9
93.07067	15.1
95.04955	7.8
95.08617	14.0
95.09129	3.1
97.06521	2.9
98.98470	5.2
105.07020	13.3
107.04892	3.3
107.08608	15.8
109.06524	55.4
109.10155	7.4
111.08115	3.7
119.08626	13.0
121.10128	7.3
123.08051	6.3
123.11710	2.8
125.09621	8.4
133.10117	8.6
135.08023	3.3
136.06180	29.6
138.52962	3.1
147.11720	3.9
153.09151	3.3
157.10106	3.3
165.06973	2.8
174.11052	2.8
184.07268	3.2
189.16397	6.8
191.08441	4.3
199.14774	4.6
207.17599	3.2
209.05998	3.5
215.02838	2.7
217.15907	4.2
218.36539	2.5
224.08345	3.7
235.16943	40.2
250.09467	3.1
268.10568	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.7
53.84564	1.8
55.01865	4.1
55.05506	18.1
57.03425	7.9
57.07068	5.5
58.22221	1.5
67.05497	17.0
69.07060	42.4
70.07839	23.7
71.04988	11.3
71.60606	3.0
72.50287	1.8
79.05490	20.1
81.03411	22.6
81.07050	20.7
83.04985	8.6
83.08630	6.7
85.02926	2.5
85.47951	2.1
86.95567	1.8
91.05473	15.1
93.07014	10.9
95.04959	10.2
95.08605	15.1
97.06528	6.4
97.10177	2.7
99.08087	3.9
104.09432	2.1
105.07017	12.0
107.04953	5.0
107.08600	10.4
109.06536	5.5
109.10127	5.5
111.08073	2.6
115.05467	1.9
117.06975	2.7
119.08548	10.3
121.06509	2.6
121.10125	8.0
123.08023	9.2
125.09534	2.1
129.07008	4.0
131.08553	4.8
133.06483	4.7
133.10123	11.4
135.11693	3.7
136.06175	26.0
143.08560	2.2
146.40981	1.8
147.11687	4.2
149.09610	3.3
155.08200	2.2
157.10121	5.7
163.11111	3.8
168.91864	63.1
171.11726	4.3
175.11169	2.7
179.14272	17.3
181.04227	2.0
182.01810	2.1
193.12225	4.4
196.91360	100.0
197.91978	2.2
211.03537	3.0
212.02922	2.8
224.94594	2.6
249.18535	14.6
266.99170	27.3
267.09268	3.0
267.15683	11.6
267.99451	2.1
279.00439	2.0
285.10110	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.1
55.01859	4.9
55.05495	18.7
56.96558	4.2
57.03429	19.4
57.07065	11.8
67.05504	45.2
67.53725	3.1
69.03422	100.0
69.07059	22.6
71.05000	6.0
71.59872	4.4
79.05495	38.5
81.02965	6.7
81.03414	69.7
81.07053	57.0
83.04965	8.0
83.08609	12.7
84.93117	3.4
91.05481	49.8
93.07047	32.9
95.04975	23.8
95.08613	31.4
97.06535	21.2
97.10165	6.8
98.98460	12.7
99.08127	4.9
105.07011	32.1
107.04949	10.9
107.08588	23.9
109.06523	11.6
109.10159	13.7
111.08070	10.7
117.07013	10.4
119.08570	26.9
121.06429	4.0
121.10127	23.8
123.08077	9.4
123.11694	5.1
129.06976	7.5
131.08568	19.3
133.10103	29.3
136.06180	48.6
137.09631	4.7
143.08607	5.7
147.08046	4.2
147.11662	14.8
149.09627	9.6
151.11169	4.3
157.10100	14.3
165.12746	3.9
175.11150	10.5
188.92403	6.0
189.16367	8.1
193.12241	8.7
199.14606	4.9
207.17508	6.5
212.02875	4.5
217.15898	10.4
224.04759	3.9
235.16907	40.1
267.09091	15.2
267.15903	21.9
267.19485	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	267.1953
Annotation	(R*,R*)-4-(1-Hydroxy-1,5-dimethyl-4-hexenyl)-1-cyclohexene-1-carboxylic acid methyl ester
Peak:m/z	Relative Intensity
55.01868	8.5
55.05500	29.2
56.96551	13.8
57.03443	27.1
57.07069	14.8
62.60421	5.4
67.05495	55.5
69.03426	93.9
69.07066	33.4
71.04959	7.9
71.58837	7.2
71.59243	9.0
79.05493	49.3
81.03413	100.0
81.07049	63.0
83.04961	11.9
83.08608	21.4
85.06553	7.5
85.10148	6.2
91.05473	52.2
93.07029	54.8
95.04964	28.8
95.08620	42.1
97.06530	16.4
97.10172	10.2
98.98465	15.8
105.07037	45.4
106.63890	8.6
107.04943	9.3
107.08588	27.1
109.06496	19.4
109.10158	18.5
111.04451	5.7
111.08051	11.1
116.56525	5.7
117.07019	21.6
119.08579	24.2
121.10135	40.3
123.08046	11.6
125.05912	6.1
127.01247	6.4
127.11726	5.7
127.82594	6.2
129.07001	13.3
129.69415	5.3
131.08548	29.5
133.10097	39.6
136.06181	91.9
137.09618	11.5
142.07701	5.5
143.08575	8.5
145.10109	7.6
147.11670	16.1
149.09630	11.8
151.11124	12.6
157.10109	19.4
165.12843	7.8
172.90192	6.4
175.11145	8.4
188.92406	10.1
189.16368	6.3
193.12236	30.7
199.14853	10.3
217.15884	6.4
235.16910	39.8
249.18481	7.8
267.09283	11.6
267.15897	38.3
267.19595	7.9
268.10529	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1953
Annotation	OPC-6:0
Peak:m/z	Relative Intensity
51.76195	5.6
55.01869	13.3
55.05515	39.3
56.96566	7.5
57.03420	22.9
57.07062	11.5
67.05492	50.1
67.83447	5.9
69.07065	45.0
70.07841	21.7
71.04993	61.9
71.08635	7.0
79.05491	67.2
81.03410	70.4
81.07041	56.1
83.04967	23.5
83.08624	28.1
85.06513	7.3
88.21425	5.2
91.05477	54.0
93.07037	44.3
95.04946	26.1
95.05482	5.7
95.08624	32.3
97.06525	14.9
99.08100	10.6
105.07009	31.3
107.04921	13.8
107.08589	24.8
109.06478	16.2
109.10153	18.2
111.08070	9.2
113.06069	6.4
115.05431	7.1
119.08577	27.7
119.22961	6.1
121.10109	21.0
123.08088	32.4
123.11668	6.4
129.07028	15.0
131.08548	13.9
133.06488	10.0
133.10123	24.2
135.11626	8.0
136.06184	41.8
137.09645	6.3
141.07037	6.1
145.10074	10.8
147.11679	23.4
157.10136	8.2
161.09621	8.5
161.13300	10.6
168.91873	50.2
179.14284	100.0
193.12282	12.0
194.53397	5.9
196.91348	83.5
211.03589	10.5
212.02867	7.5
213.16307	7.5
231.17404	7.6
249.18468	40.7
263.07953	6.7
266.99295	17.4
267.09088	7.8
267.15805	29.2
285.10101	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58761	3.2
53.03927	5.1
55.01870	12.6
55.05507	15.9
56.96563	6.8
57.03435	8.3
61.71618	2.8
63.94920	3.1
65.03961	3.6
65.86501	3.0
67.05505	61.1
69.07059	12.7
71.09595	3.2
71.59119	2.7
72.08125	3.5
79.05489	80.7
79.05962	3.8
80.21223	3.3
81.03420	35.8
81.07053	100.0
83.04976	10.5
83.08613	13.9
85.06527	6.1
87.04461	6.2
91.05476	58.7
93.07044	45.5
95.04966	35.2
95.08619	47.8
97.06525	10.5
97.10110	3.8
99.08097	5.2
101.06039	5.1
105.07043	42.0
107.04951	99.6
107.08590	21.0
109.06504	26.2
109.10141	6.5
111.04443	3.9
111.08086	6.7
115.05432	5.9
117.07014	24.3
119.04910	4.0
119.08586	24.6
121.02856	6.1
121.06479	8.3
121.10135	10.4
123.04413	5.0
123.08064	12.7
123.11828	3.6
125.09698	3.4
129.07010	14.4
131.08563	29.6
133.06432	3.7
133.10135	14.9
135.08073	5.6
135.11620	4.1
136.06201	8.8
143.08606	15.3
145.06499	10.4
147.08098	4.0
147.11690	10.3
157.10149	12.7
159.11711	17.7
169.03465	8.7
171.11629	3.6
175.14839	13.8
177.12698	4.1
178.07799	5.0
185.13217	27.9
187.04552	5.4
188.98724	3.2
189.11252	4.2
191.08575	6.1
195.07935	3.7
203.12523	3.3
203.14288	16.9
215.11264	3.1
221.09605	6.0
221.15370	44.6
223.07538	5.7
224.08299	4.1
226.10510	4.9
239.10779	3.4
241.12895	14.3
249.14801	11.9
251.10716	4.2
252.10326	3.7
259.13919	32.4
259.99573	3.5
267.06940	2.7
267.10236	23.8
267.13132	4.2
267.15784	28.6
271.13870	6.9
285.15457	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	267.1591
Annotation	Rugosal A
Peak:m/z	Relative Intensity
53.03926	3.9
55.01868	8.2
55.05512	14.3
56.96548	3.7
57.03193	1.6
57.03435	22.6
57.07054	3.0
65.03910	1.4
67.05500	28.8
69.03398	4.2
69.07069	11.5
70.04071	12.9
70.91164	2.0
70.91514	1.6
70.95815	1.4
71.04979	2.6
71.08603	5.1
72.08130	1.2
72.93761	4.1
79.05073	1.4
79.05492	25.5
81.03414	100.0
81.07058	32.4
83.04980	8.7
83.08148	1.4
83.08618	20.7
84.88367	1.2
85.02883	1.7
85.06524	1.9
90.94800	3.3
91.05472	30.4
93.07040	17.3
95.04962	26.5
95.08067	1.2
95.08606	14.7
97.02905	2.7
97.06501	4.3
97.10149	3.4
99.08040	3.9
104.12559	1.3
105.07020	23.8
107.04937	9.4
107.08574	9.2
108.05285	1.6
109.06483	6.0
109.10169	5.9
111.04417	1.7
111.08080	8.8
117.06995	3.4
117.56585	1.3
119.04919	2.0
119.08581	18.2
121.06483	4.6
121.10144	10.5
123.04436	1.9
123.08031	4.5
123.11724	2.3
125.09590	3.5
128.06158	1.5
129.06993	11.7
131.08575	9.3
133.06476	3.8
133.10146	8.1
135.08064	1.7
135.11658	3.3
136.06190	5.8
137.09570	2.7
142.07748	2.8
143.07008	1.5
143.08521	2.0
145.10086	1.7
146.97394	1.5
147.08034	4.0
147.11681	13.2
149.09589	6.6
149.13228	1.4
151.11147	2.6
157.10120	12.7
159.11644	2.0
161.09595	1.9
162.98830	1.4
163.11215	1.2
165.12697	4.0
169.03467	3.3
169.10164	1.4
175.11166	10.1
175.99959	1.2
187.04523	1.5
189.16385	1.3
193.12245	20.9
197.93452	6.8
198.92842	2.9
202.94052	2.3
209.45512	1.3
211.13211	4.1
213.16347	2.0
229.05276	2.0
231.17467	2.1
241.12798	4.3
245.04668	5.5
249.18520	11.7
253.12865	1.8
259.13928	11.2
266.96936	2.0
267.06659	3.7
267.09134	3.3
267.15851	46.0
268.06250	1.3
271.13852	1.9
285.07458	2.5
285.10028	4.1
285.15314	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	267.1591
Annotation	Aspterric acid
Peak:m/z	Relative Intensity
51.75158	2.3
53.03946	6.5
54.04559	2.3
55.01860	10.0
55.05515	19.4
55.85609	2.2
56.96557	7.3
57.03436	33.1
57.07069	3.2
65.03949	3.4
67.05502	80.7
69.03407	3.4
69.07068	25.7
71.04984	7.4
71.59558	3.5
79.05492	72.5
81.03413	15.9
81.07054	78.9
82.29758	2.5
83.04989	25.0
83.05475	3.3
83.08617	8.1
85.02904	7.2
85.06529	3.5
91.05479	100.0
93.07034	39.5
95.04965	81.5
95.05565	4.6
95.08598	38.6
96.04490	7.1
97.06519	15.8
97.10149	2.7
99.08087	9.0
105.07033	48.3
107.04958	25.1
107.08599	11.2
109.06500	10.1
109.10171	4.8
111.08070	21.5
115.05477	5.8
116.06229	2.5
117.07000	6.0
119.04972	2.6
119.08580	35.3
121.06568	2.9
121.10121	19.4
123.08077	18.1
127.07553	4.5
128.06268	7.1
129.06995	35.6
131.08556	22.2
133.06505	4.7
133.10120	25.6
136.06195	14.5
137.09679	3.1
142.07826	7.3
145.10143	2.4
147.08119	3.4
147.11678	40.9
149.09607	10.4
157.10120	30.4
165.12752	2.6
175.11180	25.3
193.12299	6.2
224.08287	4.1
234.51430	2.3
241.83733	2.7
267.09744	3.2
267.15698	34.0
285.10211	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	267.1591
Annotation	[3R-(3alpha,3abeta,5aalpha,7beta,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-3a,7-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
51.02378	0.8
53.03938	5.1
55.01868	2.9
55.05510	9.3
56.96558	3.0
57.03431	21.8
59.05009	1.0
63.49321	0.6
64.91914	0.6
65.03934	1.2
66.57355	0.5
67.05497	17.1
69.03428	2.5
69.07066	5.1
69.95956	3.7
70.95870	1.1
71.04986	3.0
72.93784	1.4
73.02898	1.5
75.00018	1.2
78.83474	0.8
79.05489	16.6
81.03410	100.0
81.07051	21.0
81.07520	1.6
82.03750	0.7
82.63002	0.7
83.04974	7.5
83.08617	16.4
85.02896	2.0
85.06530	1.6
88.96883	0.8
90.94798	0.9
91.05472	26.0
93.07030	12.7
94.13096	0.6
95.04965	24.4
95.08601	8.9
97.02884	2.5
97.06526	2.0
97.10168	1.4
98.97569	2.0
99.08089	0.9
100.75635	0.7
102.12473	0.7
103.03963	1.2
105.07021	20.1
105.65955	0.7
107.04945	10.2
107.08581	5.3
109.06494	5.8
109.10144	1.8
111.04443	1.8
111.08063	5.7
115.05463	1.2
116.98598	2.4
117.07016	2.0
119.03590	0.7
119.04950	1.5
119.08577	16.2
120.04459	0.7
120.08072	0.7
121.06480	3.9
121.10130	9.3
123.08075	3.0
123.08937	0.7
123.11715	1.6
128.06224	0.9
129.06999	10.9
131.08554	8.9
132.95792	0.9
133.06480	2.6
133.10115	8.8
135.04370	0.9
135.11674	0.7
136.06195	4.4
137.09589	2.4
142.07785	1.9
143.00157	0.9
144.08069	1.1
145.10074	1.5
146.97429	1.1
147.08057	3.0
147.11671	13.4
149.01233	1.5
149.09581	6.4
152.05923	0.8
156.03558	0.9
157.10106	10.2
158.97447	0.8
163.11191	1.1
164.98402	1.1
165.12738	3.8
174.99100	0.8
175.11172	11.9
177.00700	2.0
179.06999	0.7
187.08009	1.3
193.12222	21.3
194.12721	0.8
195.06616	0.9
211.13258	5.2
224.16415	0.9
225.14781	1.0
237.14917	0.8
241.05199	1.0
243.08806	3.4
245.04716	1.7
249.14883	1.2
267.06750	1.7
267.15878	45.6
268.03992	2.2
268.10806	0.9
283.06247	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1589
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03938	4.2
55.01862	1.8
55.05507	7.6
57.03427	20.5
57.26574	1.2
67.05503	12.2
69.03411	2.3
69.07041	3.0
69.43298	11.5
71.04987	1.8
71.08626	1.4
79.05487	11.4
81.03407	100.0
81.07045	13.0
83.04955	4.7
83.08613	14.3
91.05460	14.8
93.07019	8.1
95.04961	22.0
95.08588	4.9
97.02860	2.1
98.20693	2.1
99.04427	1.5
105.07013	17.1
107.04945	5.3
107.08607	2.5
107.12704	1.4
109.06497	3.7
111.04459	1.7
111.08086	7.0
114.96471	1.2
115.05476	1.7
117.07018	1.8
119.08566	13.7
121.06509	2.1
121.10153	4.0
123.11612	1.3
129.06996	9.0
131.08589	7.0
133.06447	3.1
133.10109	3.7
136.06184	6.9
140.34077	1.5
142.07785	1.9
147.08063	3.8
147.11661	5.7
149.09579	4.0
157.10162	9.6
165.12750	1.9
175.11191	9.1
193.12192	15.0
211.13341	2.5
216.34132	1.4
249.00668	1.4
267.15857	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1588
Annotation	Alliacolide
Peak:m/z	Relative Intensity
50.85431	1.1
50.93876	0.9
53.03922	3.0
55.01852	1.9
55.05500	7.7
57.03438	18.0
57.07066	1.9
61.04260	0.9
67.05497	13.7
69.03407	3.1
69.07047	2.8
70.66127	1.3
70.66492	3.5
71.04976	2.4
79.05490	12.7
81.03413	100.0
81.07050	13.7
83.04958	4.6
83.08611	11.7
85.02892	1.2
85.06513	1.4
87.39034	0.9
91.05467	16.4
93.07034	6.7
95.04958	18.5
95.08610	4.9
97.02868	2.2
97.06504	1.1
97.10153	1.9
105.07021	15.5
107.04926	3.1
107.08575	3.9
109.06487	3.9
109.10140	2.1
111.04433	2.2
111.08056	4.5
113.89116	0.9
115.05410	1.8
118.37956	0.9
119.08578	12.2
121.06461	2.1
121.10121	4.0
123.08025	2.1
129.06982	8.4
131.08551	8.5
133.06488	2.3
133.10115	3.5
136.06209	5.8
137.09595	1.4
142.07820	2.3
145.10156	1.0
147.08002	2.4
147.11653	6.5
149.09572	4.6
157.10132	9.1
165.12733	1.0
171.11894	0.9
175.11157	6.3
193.12234	15.2
211.13094	1.9
249.14783	1.7
267.15881	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1338
Annotation	gamma-Glutamyltyramine
Peak:m/z	Relative Intensity
56.05021	1.1
70.38197	0.8
70.38601	0.7
70.76714	0.3
84.04504	22.1
85.02888	0.7
91.05473	2.1
93.07040	4.0
95.04965	0.9
102.05536	1.0
103.05460	3.0
104.07475	0.4
121.06499	100.0
121.57684	0.3
122.06850	1.4
130.05006	14.6
136.06175	1.0
138.09138	13.6
138.10211	0.7
204.10170	0.5
221.12849	3.5
225.39050	0.3
250.10742	12.5
267.13400	6.7
267.16119	0.6
268.13553	0.4
277.34592	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1338
Annotation	gamma-glutamyltyramine zwitterion
Peak:m/z	Relative Intensity
53.03929	0.4
59.00614	0.1
59.89761	0.1
60.35330	0.1
62.10827	0.2
64.76292	0.1
71.02822	0.4
75.02129	0.2
77.03954	0.2
78.04697	0.5
84.04502	1.3
89.78439	0.1
91.05467	1.6
93.07014	0.2
95.04964	0.8
106.04150	0.2
107.04929	0.4
121.06497	100.0
122.06819	1.5
130.04985	0.7
139.33253	0.1
170.19478	0.2
221.12579	0.2
247.45363	0.2
250.10800	0.2
267.13306	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1588
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03934	3.5
55.01847	1.7
55.05507	8.0
57.03186	1.4
57.03434	19.2
59.11502	1.0
64.75871	1.0
65.03900	1.0
67.05499	13.2
69.03411	2.3
69.07046	3.2
79.05491	13.3
81.03415	100.0
81.07050	13.9
83.04957	5.1
83.08607	13.3
91.05470	17.1
93.07048	6.7
95.04962	20.8
95.08610	6.9
97.02879	2.6
97.06516	1.8
97.10158	1.9
105.07024	16.5
107.04942	4.6
107.08575	4.1
109.06516	3.5
109.10133	1.6
111.04443	2.0
111.08069	7.4
114.15668	1.1
119.08568	11.6
121.06505	2.9
121.10120	5.0
123.08022	2.0
129.07008	7.3
131.08571	8.6
133.06480	1.9
133.10146	5.5
136.06155	4.0
137.09590	2.5
142.07791	2.0
145.10129	2.1
147.08005	3.7
147.11699	7.8
149.09596	4.1
157.10104	10.3
165.12772	2.2
175.11176	10.7
193.12257	20.1
194.48056	1.3
206.73633	1.2
211.13222	1.8
227.56218	1.3
267.15903	45.1
267.20612	1.9
267.70856	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1201
Annotation	2'-Amino-2'-deoxyadenosine
Peak:m/z	Relative Intensity
53.03937	0.8
55.01857	0.7
55.05497	2.1
56.96554	2.0
57.03423	2.0
57.07040	0.7
64.18054	0.4
66.48190	0.4
67.05490	3.5
69.03416	1.7
69.07055	1.4
69.35747	2.5
69.36169	1.8
70.04074	5.3
70.06554	0.5
70.95840	0.9
71.04985	0.8
72.93773	1.5
76.35407	0.5
79.05497	3.7
81.03405	8.0
81.07040	5.0
83.04976	1.1
83.08602	1.9
85.02930	0.5
87.04446	2.0
90.94820	1.2
91.05471	4.6
93.07039	2.5
95.04966	3.1
95.08589	2.4
97.02900	0.4
97.06516	1.1
105.03379	1.9
105.07027	3.6
106.08641	0.8
107.04923	2.7
107.08572	1.8
109.06524	1.2
109.10149	0.7
111.04438	0.5
115.05451	0.5
117.06993	0.5
119.08583	2.7
121.02827	0.5
121.06484	2.1
121.10130	2.0
123.04441	0.7
123.08096	0.7
123.11663	0.7
125.01533	2.0
125.06025	0.5
127.01249	0.8
128.06187	0.5
129.06940	1.3
130.97871	0.4
131.04944	0.5
131.08516	1.1
133.06499	0.5
133.10094	1.5
135.11613	0.7
136.06160	1.8
141.89091	0.4
143.02585	0.7
145.06476	1.3
145.10129	0.8
146.97400	0.5
147.04417	0.9
147.08089	0.4
147.11629	1.9
151.02118	0.5
151.07497	0.7
157.06516	0.8
157.10124	1.0
159.11679	0.5
160.99162	2.0
161.13258	0.5
161.99530	1.5
162.98865	3.9
163.11172	0.7
165.12723	0.6
173.05988	1.0
175.11185	1.2
178.07898	0.5
181.06419	0.8
183.08128	0.5
193.08344	4.2
193.12157	1.6
203.05864	1.0
207.08005	0.6
209.07809	17.4
210.37848	0.4
211.07523	0.7
223.07639	0.5
224.16525	0.8
225.01924	0.5
226.49513	0.4
235.09445	0.8
243.03033	0.6
244.05077	0.9
244.09309	0.7
245.04688	5.0
249.11024	4.9
262.10355	0.9
267.12003	100.0
267.15738	2.9
267.99802	0.7
268.12341	1.5
280.81363	0.5
285.07785	0.5
285.10147	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	267.1017
Annotation	Typharin
Peak:m/z	Relative Intensity
53.03930	2.5
55.01852	4.1
55.05494	2.3
56.05022	1.7
56.96545	1.8
57.03436	5.3
57.07059	1.0
58.06583	1.1
59.06115	1.8
60.04508	2.4
65.03934	1.2
67.05511	5.9
69.03429	1.4
69.07048	2.0
70.06596	6.5
70.09129	3.4
71.04976	2.1
72.08134	2.7
74.06052	1.6
77.03921	1.2
79.05487	7.2
79.26097	0.9
81.03417	22.6
81.07072	8.3
83.04948	1.1
83.08588	3.8
84.04476	3.0
84.08147	5.1
85.02892	1.2
85.07639	1.0
86.09673	3.4
88.07603	1.1
91.05483	18.9
93.07022	3.5
94.36343	0.8
95.04965	11.0
95.08590	1.7
97.06494	1.3
98.97536	1.2
101.07125	1.4
103.05447	3.7
104.10709	1.7
105.03363	4.0
105.07029	6.7
106.06541	1.3
106.08665	2.1
107.04955	100.0
107.08587	1.9
108.05313	1.0
109.06498	2.1
109.10135	1.7
110.07111	1.4
111.08045	2.0
115.05448	7.7
115.08626	0.9
117.06238	1.2
117.07021	17.4
119.03510	1.4
119.04941	13.9
119.08537	4.1
120.05724	3.1
120.08122	6.0
121.02869	5.9
121.06501	13.4
121.10108	2.1
122.06026	1.4
123.04417	5.1
125.09541	0.9
127.05389	1.2
128.06198	1.6
128.66887	0.8
129.06915	3.2
131.04018	1.5
131.04922	17.4
132.05692	1.2
132.08080	1.2
133.06483	7.7
133.10052	1.6
134.99652	1.2
135.04404	2.2
136.05161	1.6
136.06189	30.2
137.04614	12.6
137.06660	11.4
141.06920	1.4
144.05643	1.0
144.08086	1.4
145.06487	45.7
146.05989	2.1
146.99648	0.9
147.04404	33.4
147.07959	2.7
147.11610	2.1
148.05080	1.9
148.07516	2.4
149.05971	2.5
149.09584	0.9
155.06032	2.7
155.08531	1.1
157.06441	2.1
157.10133	1.6
159.08032	1.9
160.05217	2.2
160.07526	1.1
161.05937	3.7
162.09132	1.2
163.07504	1.1
165.06978	2.2
173.05969	18.9
173.09636	1.4
178.07713	5.2
179.08470	3.1
180.10133	1.4
181.06425	2.9
183.07951	1.4
184.07309	1.3
191.08447	1.7
193.10181	1.7
193.12209	3.5
193.31685	0.9
195.08055	1.3
196.08850	1.5
202.07724	5.8
203.08467	4.0
206.07176	2.7
207.08035	5.4
207.11121	1.1
210.06732	3.2
211.07565	1.8
219.08014	2.0
221.09596	7.9
223.07527	4.9
224.08391	8.3
225.09070	6.4
231.08107	5.7
234.06717	4.0
234.13370	1.1
235.07399	1.2
235.13812	6.0
238.09906	1.5
239.10675	15.1
249.06465	1.6
249.09087	23.5
249.12192	2.7
250.09116	1.0
267.10077	45.8
267.12808	2.6
267.15982	17.6
268.10416	2.2
268.13358	1.1
287.47256	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95632	0.4
56.74602	0.4
57.03415	0.9
58.06604	0.5
60.08158	6.2
61.02922	0.6
63.94195	0.4
69.03419	3.1
70.11075	1.7
70.55124	0.4
71.01350	0.4
73.02918	2.9
80.90119	0.4
81.03403	1.1
85.02900	5.4
87.04461	7.0
91.03953	0.4
97.02885	1.5
99.04436	3.1
104.10735	46.1
109.02861	0.8
127.03931	1.1
139.24529	0.4
172.84955	0.4
266.15970	100.0
267.16296	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.5
55.75792	0.3
56.38865	0.2
57.03434	0.3
59.05000	0.9
61.02671	0.3
61.02913	1.4
71.05003	2.3
77.76527	0.3
79.05483	0.7
81.03414	1.0
81.07054	2.8
83.06093	0.8
84.04504	0.9
91.05489	0.4
94.04034	1.0
98.97565	0.3
107.04971	0.5
119.03526	2.3
119.75343	0.3
120.08057	0.3
121.02847	3.7
129.06593	0.9
130.04942	0.6
136.06174	100.0
137.04594	2.6
137.06554	0.4
138.05534	0.4
147.07753	0.4
147.91116	0.3
150.07739	1.2
234.13478	18.1
255.70845	0.3
266.16068	45.6
267.16302	0.9
267.97012	0.3
289.59714	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1014
Annotation	Benzarone
Peak:m/z	Relative Intensity
50.55421	0.8
53.03937	4.8
53.79314	0.8
55.01870	35.0
55.05507	5.7
56.96556	8.0
57.03434	7.9
60.68327	0.8
63.02392	0.9
65.03933	1.6
67.05499	14.5
69.03429	3.1
69.07059	4.5
70.50499	0.9
71.04967	1.9
71.59681	0.8
71.60033	1.1
72.08157	1.1
77.03931	1.8
79.05486	14.6
81.03416	40.7
81.07056	14.1
83.04974	4.9
83.08617	6.0
85.02901	2.4
85.06523	1.3
91.05475	26.9
93.07055	8.6
95.04962	56.4
95.08610	8.7
97.02876	1.7
97.06522	2.1
97.10172	1.5
98.97558	1.5
103.05463	4.9
104.02158	0.8
105.03405	3.8
105.04514	2.0
105.07028	10.5
106.08688	1.1
107.04948	100.0
107.08583	4.9
108.05288	1.4
109.06539	2.6
109.10162	2.9
111.04421	1.2
111.08074	2.8
111.85692	1.0
115.05448	11.1
117.07011	19.1
119.04940	17.4
119.08592	6.5
120.05676	4.6
121.02862	7.2
121.03691	0.9
121.06522	3.6
121.10125	4.6
123.04424	65.5
123.08074	2.2
123.11662	1.2
125.09658	1.0
127.05448	1.1
128.06230	2.9
129.06985	4.2
131.04929	6.6
131.08553	6.5
133.06474	3.8
133.10110	3.3
135.11676	1.1
136.06183	2.5
137.05963	1.0
141.07010	1.8
142.07797	1.2
143.04984	1.1
143.08479	1.1
144.05721	3.0
145.06474	46.1
145.10103	1.7
147.04402	29.5
147.08127	1.4
147.11682	4.9
148.05232	1.1
149.05933	0.9
149.09634	2.3
151.07497	1.0
151.11252	1.4
152.06235	1.4
153.06982	2.2
155.03865	1.0
155.04932	3.1
155.06039	4.4
155.08548	2.2
157.01662	1.3
157.06496	3.6
157.10123	4.9
161.05934	2.7
165.06989	6.7
165.12694	1.0
167.08591	1.8
169.06519	2.8
171.08051	1.6
171.11607	1.1
173.05974	26.9
175.11151	5.0
178.07767	10.0
179.08551	4.4
181.06482	4.4
183.08025	2.4
183.11621	1.2
188.93694	0.9
189.04280	1.4
190.07794	1.2
191.08578	4.9
193.06587	1.7
193.10139	5.2
193.12276	7.5
194.07384	1.9
195.08000	1.8
197.06064	1.1
197.09682	1.9
202.07773	18.2
203.05977	2.6
203.08536	12.7
205.06554	2.0
206.07265	7.1
207.08136	4.4
210.06726	1.7
211.07593	2.6
218.07280	1.1
219.08044	9.8
220.08871	2.5
221.09610	21.1
223.07533	5.9
224.08247	2.1
225.09149	3.4
227.12660	1.0
229.07536	1.2
231.08044	15.7
231.10274	1.5
232.08839	1.3
234.06688	6.9
235.07524	1.2
237.09082	3.1
238.09894	1.1
239.10760	1.8
239.14307	1.4
247.07556	1.2
249.09109	29.8
249.18553	2.0
257.10501	1.4
267.10178	92.3
267.13593	4.6
267.15997	13.6
285.10043	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51925	16.0
55.05505	41.8
57.41570	13.3
67.05523	32.0
69.03399	13.7
69.07063	50.2
69.36632	81.5
69.37055	46.1
71.43923	13.5
76.09248	12.9
79.05495	35.3
81.07043	51.8
83.08619	45.8
93.07067	26.2
95.08582	32.7
97.10123	22.7
107.08556	22.5
109.10115	14.2
111.11796	13.4
112.38352	14.6
121.10107	32.0
135.11679	30.1
191.08693	17.9
216.62273	13.3
219.08145	26.1
221.06067	14.3
221.09593	22.5
225.75793	16.7
234.10484	24.7
235.07620	50.3
247.24326	19.8
250.09897	40.9
265.12347	100.0
265.25272	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2525
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
53.03939	3.2
55.05510	73.9
57.03415	3.6
57.07074	25.6
65.03930	2.2
67.05503	71.6
67.86549	1.5
69.07067	100.0
70.07391	1.6
71.04975	4.1
71.08632	16.8
71.58741	1.6
78.09234	1.4
79.05061	2.5
79.05492	36.8
81.07056	82.9
83.08617	64.7
83.09123	3.1
85.06540	6.8
85.10183	7.2
91.05475	7.7
93.07040	41.2
95.04955	2.4
95.08604	80.9
97.06528	20.1
97.10172	41.5
97.69135	1.4
99.08080	5.6
101.32063	1.7
105.06998	1.9
107.08584	27.0
107.17712	1.5
109.10151	36.3
111.08083	15.1
111.11720	14.8
113.09647	3.3
121.10143	61.2
122.10576	1.9
123.11713	12.9
125.09628	3.7
125.13285	4.3
135.11690	47.1
137.13264	6.2
139.11139	5.7
149.13252	22.1
151.14830	7.9
163.14792	8.6
165.16391	6.4
177.16391	4.2
179.08507	2.6
186.22186	1.6
187.17963	1.6
191.08485	3.1
191.17911	3.0
200.02776	1.6
205.19542	3.1
207.07990	3.3
216.07559	1.9
219.08084	2.1
221.09750	1.7
234.10381	6.3
235.07571	5.5
247.24219	42.5
250.09894	8.3
265.12292	10.1
265.25266	86.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.6
55.05499	0.4
56.96546	0.4
57.07071	27.3
58.06557	0.6
67.70351	0.3
69.07069	1.4
71.01759	0.8
81.03388	0.4
95.04955	1.5
96.08128	1.7
112.00757	1.4
113.00790	0.4
113.01540	4.3
123.70956	0.3
125.01537	3.0
126.99483	0.4
129.01031	0.7
133.05214	1.8
134.03613	1.3
137.01532	0.5
138.01042	1.1
138.09801	0.3
139.00578	0.5
140.02599	9.3
141.01013	5.8
143.08406	0.3
146.05994	1.8
147.06757	1.7
152.02673	1.5
153.00989	1.8
153.03371	1.4
154.00500	0.5
154.04169	2.1
155.02588	4.1
165.00984	0.5
166.00552	3.2
168.02104	5.2
169.00453	1.1
172.08778	0.4
180.02100	39.8
181.02858	3.6
182.03642	0.6
182.52998	0.3
197.07269	1.3
207.05658	1.0
210.03149	100.0
211.03439	1.7
216.10304	0.4
224.08353	1.8
225.06795	0.5
248.08292	1.3
266.09418	25.8
267.06775	0.4
267.09744	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.5
54.02705	0.4
55.17796	0.5
57.03418	1.4
58.06602	0.6
59.11834	0.5
60.07877	0.5
60.08158	7.5
61.02903	0.9
64.76721	0.5
68.53621	0.4
69.03429	4.7
70.11789	0.8
70.12215	1.5
73.02912	3.3
75.84375	0.5
81.03402	1.4
85.02903	7.1
87.04458	9.2
90.83477	0.5
97.02865	1.7
99.04452	3.0
103.03909	0.7
104.10734	55.7
109.02872	0.7
127.03903	2.0
129.05463	0.7
145.04921	0.6
166.07790	0.6
253.12395	0.5
266.15964	100.0
267.16229	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
55.01860	4.4
55.05519	16.6
57.03428	3.6
57.07064	8.8
65.03954	2.7
67.05505	42.4
69.07074	17.9
70.78111	3.1
70.78471	5.7
71.08624	2.5
72.83649	1.9
75.05844	2.1
79.05492	20.2
81.03426	7.9
81.07061	27.3
83.04967	5.1
83.08620	4.3
85.06512	2.2
85.10169	4.2
91.05474	14.3
93.07054	20.6
95.04983	5.3
95.08611	100.0
97.06516	8.2
97.10197	3.6
99.08136	2.3
102.36803	2.2
105.07076	5.1
107.08604	7.2
109.06490	2.5
109.10152	11.8
113.09647	4.6
119.08610	3.5
121.10149	5.6
123.08082	3.7
131.08551	4.1
133.10136	3.5
135.11678	5.7
136.57629	2.0
141.09085	2.5
145.23430	2.0
149.13309	4.0
151.11157	3.0
159.10170	13.9
159.11461	3.7
165.12726	5.8
176.64281	2.2
178.07814	5.0
179.08553	8.6
186.96742	2.7
189.07001	4.1
190.07779	4.7
191.08615	10.4
203.08482	4.5
204.21281	2.2
205.10236	2.8
207.08058	10.2
217.06401	2.4
218.07294	4.3
219.08081	9.1
220.08571	2.3
221.05933	6.9
221.09695	5.3
233.09578	5.3
234.10431	21.6
235.07578	30.3
236.08220	5.0
241.98706	2.7
247.20534	2.6
249.09117	7.0
250.09842	27.9
251.10156	3.2
265.09665	3.7
265.12274	51.0
265.21600	30.3
265.24222	3.9
266.12439	4.6
282.74979	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2526
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
54.78559	6.0
55.05496	24.0
57.07070	16.4
67.05505	34.6
69.07067	37.2
71.51333	8.9
79.05484	21.8
81.07056	33.5
82.51815	7.1
83.08596	31.8
87.37859	6.9
93.07025	25.0
95.08607	33.6
97.06529	10.7
97.10158	22.4
107.08568	15.1
109.10207	16.0
111.08080	8.1
111.11749	6.9
114.03282	6.1
121.10156	30.7
135.11644	11.9
149.13261	7.2
163.03656	6.6
163.14719	7.0
179.08565	15.4
191.08533	17.3
203.08435	8.5
207.08081	7.9
219.08017	22.7
234.10487	32.7
235.07550	38.7
247.24133	22.5
249.09105	14.9
250.10007	40.4
265.09665	7.1
265.12259	100.0
265.25183	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	265.2163
Annotation	(E)-Nerolidol acetate
Peak:m/z	Relative Intensity
53.03952	3.5
55.05512	30.4
57.03426	13.6
57.07067	13.1
59.05008	3.3
67.05506	100.0
67.91157	3.3
69.07079	28.8
70.09510	13.3
71.04976	5.8
71.08234	4.7
71.08630	91.1
79.05505	41.5
81.03401	6.8
81.07056	53.4
83.04989	20.9
83.08623	13.0
85.10167	4.8
91.05486	27.9
93.07050	36.5
95.04978	10.8
95.08598	54.8
97.06538	14.2
97.10142	3.1
99.08092	79.9
104.10744	3.1
105.07030	20.1
106.32351	3.1
106.92525	3.1
107.08562	18.2
109.10156	26.5
110.60629	3.6
111.08051	5.6
119.08619	7.7
119.76720	3.6
121.10164	11.2
127.11194	8.8
131.08580	5.7
133.10158	18.5
135.11708	9.3
145.10124	5.5
146.66423	3.4
149.13228	3.7
151.11195	10.4
153.12759	10.9
159.10187	4.3
165.12791	3.6
172.95168	3.8
179.08533	5.0
186.96849	3.1
189.07011	4.0
191.08556	6.6
203.08621	8.4
205.06648	3.8
207.08086	6.4
210.09274	3.2
218.07251	5.8
219.08034	9.0
221.06078	5.4
234.10410	22.2
235.07545	23.9
247.20609	3.5
250.09885	22.2
265.12228	41.2
265.21655	64.8
265.24771	4.6
265.25385	3.6
286.74042	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	265.2163
Annotation	(E)-Nerolidol acetate
Peak:m/z	Relative Intensity
53.61751	1.5
55.01873	2.2
55.05513	19.3
57.03422	4.8
57.07064	7.3
59.04985	2.0
62.04763	1.4
65.03931	2.5
67.05505	100.0
67.47052	1.5
69.07067	14.1
71.04988	5.3
71.08634	47.3
71.58753	2.9
74.91354	1.6
79.05501	26.2
81.03415	1.9
81.07062	69.2
83.05000	11.2
83.08615	7.0
83.18541	1.5
85.06535	2.2
88.95591	1.4
91.05478	22.2
91.92766	1.4
93.07040	25.3
94.07410	1.6
95.04967	7.3
95.08610	44.4
97.06557	9.9
99.08096	43.7
99.08747	2.4
101.42709	1.5
105.07036	9.0
107.04893	1.8
107.08598	14.2
109.06488	3.7
109.10156	31.0
111.08086	4.5
113.36990	1.6
117.07034	5.3
119.08569	5.9
120.60390	1.5
121.10149	10.6
123.08050	2.0
123.11704	15.0
127.11198	4.9
131.08578	6.0
133.10123	8.8
135.08060	2.1
135.11684	7.2
137.13255	3.6
145.10127	4.2
147.11684	4.0
149.09641	2.5
149.13275	5.1
151.11171	4.9
153.12746	4.4
159.11691	4.8
165.12744	2.3
173.13211	3.4
177.12750	2.7
177.16452	1.8
179.08626	4.0
190.07880	1.6
191.08549	5.4
195.13834	1.9
203.08569	3.6
207.08046	6.1
209.15381	2.0
218.07253	2.6
219.07964	4.0
221.05956	2.3
221.09595	3.1
229.19456	3.5
233.09552	2.2
234.10376	13.5
235.07497	12.2
236.08231	3.0
247.20587	6.5
250.09903	13.6
265.09680	2.1
265.12271	26.0
265.14832	2.9
265.18484	2.9
265.21655	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2161
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
53.03936	2.2
55.01866	2.4
55.05521	7.7
57.03427	3.0
57.07074	3.6
62.04138	1.4
65.03933	2.5
67.05505	100.0
68.05821	2.0
69.07068	9.0
69.38072	7.4
69.38491	4.8
71.05020	1.4
71.63609	1.4
79.05492	17.9
81.03413	4.0
81.07057	92.2
82.07359	1.4
83.04988	3.0
83.08614	4.2
85.06536	2.9
91.05487	6.1
93.07050	16.6
95.04971	4.3
95.08607	59.7
97.06525	2.8
98.20845	2.1
99.08089	1.8
105.07018	4.7
107.04935	1.7
107.08581	9.8
109.06497	2.1
109.10160	34.1
111.08108	1.2
117.07014	2.3
119.08586	2.1
121.06477	1.4
121.10132	10.1
123.11697	16.0
131.08543	3.3
133.10136	3.0
135.08067	1.9
135.11676	5.0
137.09555	1.6
137.13281	6.3
145.10153	2.7
147.11650	2.6
149.09644	2.2
149.13258	3.1
155.01160	1.3
156.97426	2.2
159.11685	3.3
163.07343	1.5
163.11099	1.5
173.13266	2.8
174.98447	3.3
175.14868	1.9
177.12737	2.3
179.08456	3.0
181.12202	2.1
190.07767	1.7
191.08589	3.6
191.14258	2.2
195.13841	2.3
207.07979	1.9
209.15407	3.2
213.00166	2.6
218.07208	2.4
219.08083	3.0
221.09676	1.7
229.19492	2.0
234.10426	6.0
235.07614	9.5
247.20517	1.7
250.09868	8.5
265.09933	1.7
265.12323	14.1
265.18225	3.6
265.21646	18.0
265.26242	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	265.2162
Annotation	Heptadecatrienoic acid
Peak:m/z	Relative Intensity
53.03949	3.8
55.01866	7.0
55.05507	27.1
56.96565	3.8
57.07077	66.2
65.03916	4.2
67.05504	72.2
69.03409	5.0
69.07072	43.3
71.04976	5.8
71.08613	2.4
79.05068	2.8
79.05495	41.3
81.07053	86.6
83.04968	10.9
83.08640	10.2
85.06567	2.9
88.83516	2.3
91.05473	27.0
93.07042	48.3
93.21661	2.1
95.04970	17.9
95.08059	3.9
95.08613	55.5
97.06524	7.0
97.10126	2.9
98.97578	2.2
99.08115	2.7
105.07028	27.6
107.04953	15.3
107.08591	28.8
109.06519	15.8
109.10152	25.9
111.08080	3.6
117.07021	7.5
119.08583	17.3
121.06474	12.7
121.10134	20.8
123.08047	8.5
123.11722	11.3
123.12468	2.0
125.09612	2.5
131.08594	15.1
133.10150	17.1
135.04384	3.4
135.08064	7.9
135.11708	14.3
137.09662	4.2
145.10098	14.8
147.11696	10.3
149.09634	6.4
149.13243	4.9
151.11176	18.5
159.11703	9.7
161.13234	3.8
162.38760	2.1
163.11154	16.3
163.14810	3.8
173.13310	4.8
177.12892	2.6
178.07755	2.8
179.08591	11.7
189.07021	5.3
190.07733	3.0
191.08574	15.2
191.10538	3.6
191.14288	7.0
193.09943	2.4
202.07875	2.2
203.08543	6.5
203.14342	4.1
205.10162	5.3
207.08061	10.2
209.11647	4.8
209.15367	8.8
217.06480	3.7
218.07269	8.0
219.08022	16.4
219.17509	8.5
221.05974	4.8
221.09695	4.6
221.19052	2.8
222.06694	2.8
223.17023	2.5
229.19476	5.0
233.09654	5.5
234.10410	30.9
235.07544	34.1
235.11098	3.3
236.08084	6.0
237.09076	2.4
247.20634	20.6
249.09100	7.5
250.09894	40.7
258.07547	2.0
265.09601	4.1
265.12244	58.5
265.18027	46.8
265.21616	100.0
266.12320	4.1
266.21994	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	265.2162
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
53.03944	1.7
55.05511	10.5
56.96550	3.5
57.03429	1.3
57.07069	2.8
57.39256	0.7
59.58978	0.6
60.89414	0.7
63.10505	0.7
65.03941	1.8
67.05505	100.0
68.05824	0.8
69.03410	0.9
69.07066	9.4
69.07423	1.2
70.69453	0.6
70.69846	0.7
71.04972	2.1
71.58884	1.3
79.05077	0.9
79.05493	14.3
81.03381	0.8
81.07057	91.6
83.04990	1.2
83.08604	4.0
83.12535	0.8
85.06535	1.6
91.05474	6.7
93.07038	10.4
95.04959	2.5
95.08605	70.1
96.08947	1.3
97.06512	2.0
97.10170	2.4
105.07033	4.0
107.04980	3.8
107.08597	9.6
109.05763	0.9
109.06496	3.8
109.10156	48.4
109.37930	0.8
111.08092	1.7
111.66201	0.8
115.05477	0.9
117.07061	2.2
119.08588	2.8
121.02841	1.3
121.06492	1.7
121.10165	6.7
123.08093	2.2
123.11710	27.0
127.07550	1.3
131.08562	5.2
133.06448	0.8
133.10115	2.6
134.99666	1.2
135.08099	1.3
135.11661	4.6
137.09622	1.9
137.13240	5.7
145.10138	2.8
147.11681	3.0
149.09624	1.7
149.13274	3.3
151.14841	1.0
159.11699	2.4
163.11165	1.8
163.14841	1.6
165.12804	1.1
173.13258	3.5
177.00624	1.3
177.12796	1.6
179.08513	1.6
181.12291	0.9
184.07265	1.0
187.14848	1.2
190.07736	1.0
191.08527	2.6
195.13887	2.1
195.93747	2.0
196.93159	4.7
203.08582	0.9
207.08003	2.1
209.15317	2.1
216.61378	0.8
218.07320	1.1
219.08069	2.3
220.08507	1.0
223.16989	1.8
229.19514	0.9
233.09735	1.0
234.10422	2.6
235.07559	5.2
237.09195	1.2
243.08914	1.4
247.13446	1.2
247.20624	2.6
250.09886	4.1
265.08640	1.7
265.12143	6.7
265.18564	1.1
265.21625	36.6
269.10568	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.216
Annotation	(E)-Nerolidol acetate
Peak:m/z	Relative Intensity
53.03935	1.8
55.05505	10.7
56.96551	1.3
57.07070	2.1
65.03922	3.1
67.05500	100.0
68.05808	1.4
69.07063	9.8
70.07833	1.2
70.73039	1.6
70.94239	1.4
71.04966	2.0
72.93775	2.0
79.05488	14.5
81.03394	2.0
81.07051	96.9
83.04967	1.5
83.08604	6.3
85.06517	2.3
88.95287	1.0
90.94839	0.9
91.05469	5.6
92.20224	0.9
93.07036	13.3
95.04944	3.6
95.08601	87.5
97.06546	1.7
97.10137	2.4
98.97591	1.1
105.07016	3.8
107.04948	1.7
107.08585	8.1
109.06510	2.1
109.10148	63.0
110.10426	1.0
110.46538	0.9
117.06997	2.1
119.08607	4.3
121.10136	5.3
122.07187	1.2
123.08037	1.2
123.11700	29.9
131.08548	2.6
133.10094	3.1
135.08054	1.8
135.11734	4.6
137.09621	1.1
137.13257	6.7
139.11151	0.9
143.08582	0.8
145.10120	4.2
147.11688	1.9
149.09602	1.9
149.13251	3.9
151.11150	1.0
151.14735	1.2
159.11682	2.8
162.38914	0.8
163.11139	2.6
163.14883	0.9
166.92166	3.4
173.13261	3.4
177.12749	1.5
181.12274	1.4
187.14821	2.5
191.14334	1.4
194.91663	6.8
195.13817	3.0
209.15312	3.2
210.03136	1.3
223.17030	1.0
227.05679	1.2
229.19470	1.5
247.20560	4.0
264.99646	1.4
265.07184	2.8
265.18130	2.7
265.21613	45.6
283.06064	1.8
284.08078	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2162
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
50.64196	3.5
53.03952	17.6
55.01879	15.3
55.05512	32.8
56.96561	7.5
57.03432	36.8
57.07077	7.6
65.03910	5.7
67.05504	100.0
69.07069	61.2
71.04993	15.2
71.08607	15.4
71.20483	6.8
79.05492	71.1
79.05955	3.6
81.03419	50.9
81.07058	95.1
83.05001	16.1
83.08629	17.2
85.06551	20.4
86.99350	3.4
91.05493	48.7
93.07043	88.4
94.65697	3.2
95.04954	25.3
95.08611	97.7
97.06532	20.2
97.10179	6.3
99.08096	16.6
105.07037	34.1
107.04929	16.7
107.08598	51.5
109.06506	19.6
109.10165	30.5
111.08070	16.1
112.71592	3.3
114.08651	3.6
115.05441	3.9
117.07022	14.6
119.08588	29.2
121.02897	3.2
121.06519	8.1
121.10144	32.4
123.04501	3.7
123.08080	10.5
123.11721	8.0
125.09639	11.4
131.08603	18.6
133.10136	26.7
135.08092	6.8
135.11659	20.7
137.09651	4.7
140.79021	3.0
145.10120	13.7
147.11668	19.7
149.09648	8.7
149.13290	14.3
151.11154	18.9
159.11708	16.6
161.13245	3.5
163.11194	6.3
165.06934	3.6
165.12787	6.0
168.09508	3.1
173.13261	12.4
175.14857	22.2
179.08534	6.4
187.14822	3.4
189.07001	4.6
190.07820	4.9
191.08588	11.0
195.86801	3.1
201.16313	4.1
203.08488	7.4
207.08057	7.7
218.07361	3.9
219.08054	13.2
219.17368	3.5
221.09535	3.3
229.19511	18.3
233.09433	4.9
234.10378	16.5
235.07622	23.4
237.09175	4.2
247.17007	8.1
247.20532	24.4
250.09943	26.5
261.02945	3.6
265.09686	4.2
265.12289	39.1
265.15359	5.3
265.18243	11.4
265.21634	98.9
266.12585	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	265.216
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
52.98098	2.2
53.03943	5.8
55.01863	9.3
55.05511	32.6
56.96553	11.8
57.03433	11.9
57.07068	5.2
58.26312	2.1
63.70646	2.2
65.03924	3.0
67.05502	50.4
67.83375	2.2
69.03414	2.3
69.06719	3.9
69.07066	42.3
69.36276	7.6
69.36696	14.7
71.04986	10.2
71.08626	7.2
72.08134	3.5
79.05060	4.6
79.05492	59.6
81.03406	9.6
81.07058	59.6
83.04971	9.2
83.08620	17.2
85.06532	11.8
91.05479	37.7
93.07042	52.4
95.04963	18.0
95.08604	53.9
97.06546	15.4
97.10163	11.7
98.20695	4.0
99.08087	6.7
105.06370	3.6
105.07030	31.7
107.04938	12.8
107.08591	100.0
109.06513	20.8
109.10170	19.8
111.08100	6.4
113.09654	2.8
117.07006	9.9
119.08567	17.1
121.06487	5.5
121.10136	25.4
123.04446	3.1
123.08051	7.2
123.11674	4.6
125.09624	7.5
129.07027	3.4
131.08568	24.7
133.06497	2.9
133.10132	18.3
135.08051	8.6
135.11684	15.5
137.09608	3.3
139.11211	2.7
142.07787	2.7
143.08525	3.7
145.10146	16.0
147.11600	14.1
149.09648	18.4
149.13274	10.6
151.11182	9.3
153.12747	2.6
159.08060	4.0
159.11696	13.0
161.13191	4.1
163.11143	6.5
163.14818	3.1
165.12802	3.7
166.07758	2.3
173.04924	2.4
173.13304	8.4
175.14838	8.7
175.22601	2.7
177.12819	3.0
179.08575	10.1
184.01651	2.6
187.14879	3.0
190.07768	4.3
191.08521	9.8
195.13763	2.7
201.16376	2.8
202.07771	4.2
203.08548	6.1
205.10181	2.5
207.08025	5.2
207.11772	2.6
217.02614	2.6
217.10271	4.0
219.08000	9.7
221.05882	2.7
222.10435	3.2
229.19501	8.1
232.12381	3.6
234.10428	14.5
235.07571	19.7
236.08270	2.5
247.16924	7.4
247.20612	29.3
250.09930	19.5
265.08972	4.1
265.12241	38.2
265.15649	9.9
265.18073	26.1
265.21622	34.7
265.24588	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	265.2159
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
50.14298	1.4
53.03964	1.5
55.05505	9.5
55.63384	1.5
57.07062	3.7
58.04214	3.3
65.03923	2.4
67.05498	100.0
69.07070	8.4
71.04977	2.2
71.60535	2.4
73.02903	11.3
79.05480	13.3
80.05499	2.6
81.07048	92.3
83.04963	2.2
83.08627	5.0
85.06511	2.0
87.04449	1.7
89.05543	1.5
89.05997	8.3
91.05468	5.7
93.07048	12.7
95.04962	2.7
95.08597	65.9
97.06512	2.0
97.10168	2.7
105.07008	3.1
107.08592	9.4
109.10143	39.5
117.06981	1.9
119.01967	1.6
119.08617	3.9
121.10133	6.7
123.08096	2.1
123.11693	22.0
124.08067	1.9
131.08569	4.5
133.08588	3.0
133.10129	3.8
135.11690	6.5
137.13272	5.5
145.10005	1.7
147.11656	3.2
149.13301	3.0
159.11681	2.9
163.11134	2.5
163.14822	2.5
173.13193	2.5
177.12746	1.8
189.74525	1.7
209.13155	2.1
209.15512	2.0
210.03123	2.6
215.16861	1.8
247.20566	2.4
265.19257	2.1
265.21616	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	265.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49371	1.6
51.33340	2.5
51.90751	1.8
53.03938	4.4
55.01861	6.9
55.05514	32.7
56.96574	9.4
57.03437	14.2
57.07067	4.1
65.03935	5.2
67.05176	3.3
67.05510	52.9
69.03429	3.6
69.07068	22.5
71.04988	7.6
71.08618	4.7
71.59268	3.6
79.05495	59.6
81.03413	6.4
81.07061	54.4
81.91533	1.9
83.04967	6.0
83.08620	12.4
85.06546	11.3
87.82423	1.9
91.05480	35.6
93.07045	47.0
95.04987	11.6
95.08051	3.7
95.08613	50.5
95.09174	1.8
97.06525	12.9
97.10178	12.7
99.08089	5.8
103.05462	2.0
105.07024	27.7
107.04970	9.6
107.08597	100.0
109.06506	15.8
109.10166	20.4
111.08093	6.1
117.07043	8.4
119.08604	14.5
121.06481	4.8
121.10136	16.8
123.08095	6.2
123.11716	4.7
125.09608	5.9
129.06967	2.4
131.08551	15.5
133.06412	2.9
133.10136	13.9
135.08043	5.1
135.11739	13.5
137.09613	5.5
139.11185	2.8
145.10127	19.0
147.11649	15.4
149.02370	2.3
149.09641	14.5
149.13249	10.4
151.11179	4.6
159.11664	11.3
161.13255	4.8
163.11230	5.3
163.14809	3.6
165.12810	2.2
173.13263	8.0
175.14864	9.8
179.08583	5.7
189.07063	2.8
191.08574	5.9
193.15898	3.4
199.01419	2.3
201.16408	5.2
203.08653	2.6
207.08040	3.4
217.10144	4.0
218.07262	3.2
219.08067	7.2
221.05995	2.6
221.09642	2.7
222.10573	2.1
229.19507	11.4
232.12483	4.9
233.09637	2.4
234.10301	12.5
235.07599	11.8
236.08296	2.9
237.09163	2.7
247.16936	5.1
247.20561	30.2
250.09882	12.8
265.12302	19.2
265.15759	11.4
265.18076	12.6
265.21628	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	265.1547
Annotation	H-VAL-PHE-OH
Peak:m/z	Relative Intensity
53.03946	0.6
55.05513	13.0
56.05044	0.7
56.96565	1.5
57.05813	1.2
57.07070	0.8
60.04527	0.5
67.05510	0.5
69.03430	0.5
69.07063	1.9
70.06590	5.0
71.57448	0.5
72.08157	100.0
73.08501	0.7
79.05511	1.0
81.03408	0.7
81.04536	0.7
81.07076	1.1
83.08619	0.4
84.04500	2.0
84.08140	3.6
86.09703	2.6
86.92224	0.4
91.05503	0.9
93.07057	0.8
95.08610	1.1
98.97591	0.8
99.42255	0.4
103.05479	1.6
105.07026	0.8
107.04977	1.9
107.08625	0.5
110.07196	1.1
112.11317	0.5
116.98642	1.1
119.01749	0.4
119.08580	0.6
120.08108	16.1
121.06535	1.2
122.07155	2.5
123.11810	0.4
129.10255	1.4
130.05006	0.5
131.04929	0.9
131.10272	0.4
132.05676	0.6
133.06491	2.0
134.99683	0.5
136.06183	4.4
146.99655	0.4
147.04485	0.7
149.06015	1.1
150.07745	2.0
163.02760	0.8
166.08635	10.1
167.88452	0.4
179.08549	0.6
191.08591	0.9
207.08235	0.5
219.08142	0.8
219.15025	0.6
221.09673	0.5
234.10541	1.8
235.07632	1.7
236.08221	0.5
237.09055	0.5
250.10011	2.3
265.06305	0.6
265.12338	5.0
265.15451	2.5
265.25372	0.7
266.12964	0.4
266.16180	1.3
276.33566	0.4
288.36212	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1799
Annotation	Speciosin K
Peak:m/z	Relative Intensity
50.80806	3.3
51.08612	3.0
53.03942	7.7
55.01871	20.9
55.05517	23.2
56.96562	14.7
57.03434	6.3
57.07072	8.5
65.03928	8.9
67.05506	81.1
69.03414	4.4
69.07069	31.1
70.06563	4.6
71.04998	24.2
71.08617	8.3
71.10805	3.9
71.11162	5.9
73.02897	4.9
77.33353	3.2
77.34771	3.0
79.05495	69.4
79.86669	3.5
81.03426	18.9
81.07066	70.4
83.04977	18.2
83.08616	11.8
84.08138	4.3
85.02927	4.9
85.06557	4.4
91.05480	54.1
93.07047	100.0
95.04967	47.8
95.08606	37.4
97.06543	12.0
98.97537	4.0
99.04471	4.7
101.02377	7.1
105.07040	38.8
107.04942	23.5
107.08598	62.4
109.06535	19.0
109.10166	25.8
111.04445	25.2
111.08058	7.1
113.06023	20.9
115.05490	17.2
116.98598	6.1
117.07018	26.0
119.04907	4.5
119.08602	24.7
120.05721	6.1
121.06507	9.4
121.10149	28.8
123.04415	10.9
123.08084	8.6
123.11720	11.4
125.05994	9.2
129.07050	5.7
131.04941	4.1
131.08566	42.7
133.06479	6.6
133.10132	23.6
134.99646	4.2
135.04375	5.3
135.08063	14.7
135.11688	8.6
137.09573	5.4
139.88173	3.4
143.08586	10.6
144.05763	6.0
145.06482	4.2
145.10127	29.4
147.08102	6.1
147.11681	11.6
149.09616	15.9
149.13274	52.8
151.07500	4.0
151.11172	19.5
155.08574	12.4
159.06554	5.2
159.08046	5.1
159.11679	9.9
161.09602	4.5
163.07614	4.2
163.11183	13.7
165.07098	3.7
165.12737	8.8
169.10138	11.8
172.95218	7.1
173.09656	9.6
173.13293	7.7
174.34023	3.7
177.09140	6.1
178.07809	3.9
179.08524	11.3
181.10059	3.8
183.11804	4.1
184.07268	5.7
185.13254	11.3
187.11214	8.8
187.14838	33.9
189.06944	8.0
190.07756	8.8
190.96259	5.8
191.08540	19.4
191.10526	4.9
194.07335	5.2
201.12778	5.4
201.16434	14.0
203.08470	6.8
204.09103	3.4
205.12299	4.2
207.08043	7.2
211.14819	12.8
218.07260	13.0
219.08095	33.4
219.17354	22.5
221.06090	4.4
221.09734	9.0
229.15863	38.5
233.09554	4.3
234.10449	22.8
235.07623	25.6
235.10970	4.1
236.08243	6.5
237.09109	14.9
247.07608	11.7
247.16931	87.5
249.09100	4.0
250.09947	25.9
265.08713	11.5
265.12244	48.4
265.15543	5.3
265.18097	48.9
265.21143	4.3
265.21890	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	265.1435
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03960	8.9
55.01878	8.8
55.05504	30.2
56.05022	8.1
56.96563	15.2
57.07084	7.4
57.99913	4.3
65.03939	12.5
67.05502	44.2
69.03429	45.9
69.07066	13.5
70.06583	23.5
71.04987	11.9
71.33875	8.6
72.08155	65.9
79.05499	38.4
81.03458	6.7
81.07058	36.0
83.04988	12.2
84.04488	15.4
84.08154	23.7
86.09711	26.0
91.05477	85.8
91.06018	7.3
93.03412	7.5
93.07042	51.2
95.04961	59.4
95.08614	31.4
97.02888	7.2
97.06539	8.3
98.97575	6.0
99.04423	6.1
103.05458	9.9
105.07027	84.1
107.04959	51.3
107.08586	30.0
109.06520	35.3
109.10131	15.4
110.07153	9.1
111.04443	35.3
111.08087	14.8
112.08670	5.3
113.06018	12.2
115.05473	10.7
116.06208	6.1
116.51303	4.0
117.06993	27.7
119.04945	9.6
119.08585	100.0
120.08067	21.2
121.02875	20.2
121.06516	49.5
121.10143	14.0
121.87141	4.3
122.07137	16.8
123.04423	4.7
123.08095	32.4
127.58704	4.6
128.06279	6.1
129.06999	23.9
129.10222	13.5
130.06595	4.7
130.07776	6.7
131.04922	15.4
131.08575	49.6
133.06488	17.4
133.10135	18.1
134.99684	5.3
135.04370	4.8
135.08041	77.7
137.05981	5.7
137.09625	11.3
139.03943	12.8
139.07593	8.4
141.06987	13.9
142.07791	11.5
143.08554	25.4
144.04791	7.4
144.09354	7.3
145.06491	25.8
145.10133	34.9
147.08054	50.6
147.11674	22.7
149.06012	9.1
149.09610	16.9
153.07008	6.1
155.08507	9.2
156.09386	7.7
157.06551	5.6
157.10135	20.1
158.07246	22.7
159.08032	42.4
159.11684	43.6
160.08847	5.4
161.09613	40.8
163.02692	7.4
165.09106	31.8
168.09364	9.3
169.09990	6.1
171.08080	14.3
171.11713	12.7
172.08833	19.2
173.09605	23.2
173.13278	21.4
175.07559	71.2
175.11131	33.9
179.08495	9.1
181.06549	6.0
181.10114	6.3
183.11668	10.9
185.09570	10.6
186.10413	5.4
187.11185	43.0
189.09070	13.1
189.12733	20.3
190.07849	5.9
191.08566	7.9
193.08606	18.9
193.10178	6.2
196.08852	11.6
199.11133	17.2
201.12740	33.0
203.10645	53.5
205.12233	9.8
211.11176	27.0
217.12228	20.2
219.08089	13.2
219.13908	8.1
229.12326	23.6
234.10379	12.2
235.07536	13.7
235.13414	10.5
237.09233	8.5
237.12575	5.3
247.13321	29.3
250.09822	23.2
265.08496	10.0
265.12085	40.6
265.14548	27.2
272.17966	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	265.1434
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03947	10.2
55.01877	6.1
55.05510	22.3
56.96560	8.9
57.03413	4.9
64.18906	4.1
65.03934	11.4
67.05495	42.9
69.03421	37.2
69.07056	12.7
69.12556	4.3
69.51177	22.4
69.51598	11.0
70.06577	15.7
71.04990	11.2
72.08157	37.8
79.05472	33.1
81.03415	6.8
81.07040	21.7
83.04974	7.7
83.08612	6.6
84.04506	9.0
84.08144	24.4
86.09698	12.5
91.05473	71.8
93.07049	49.5
94.06544	4.4
95.04959	53.9
95.08607	29.1
97.02899	5.5
97.06516	8.6
98.97565	4.7
99.04445	5.3
103.05460	9.2
105.07026	94.9
107.04940	32.3
107.08594	24.2
109.02905	5.1
109.06509	40.8
109.10165	13.4
110.07173	6.6
111.04444	34.2
111.08048	7.1
113.06000	21.9
115.05439	8.2
116.06211	7.3
117.07014	24.6
119.04932	7.3
119.08576	100.0
120.08096	12.8
121.02879	15.9
121.06507	52.5
121.10123	16.0
122.07156	12.8
123.08080	30.6
128.06239	10.5
129.07007	23.1
129.10231	8.1
130.07759	9.0
131.03522	4.9
131.04898	17.7
131.08562	43.7
133.06485	24.5
133.10109	25.9
134.99666	6.7
135.08044	86.3
137.09595	16.6
139.03914	12.9
139.07516	9.6
141.06985	12.8
142.07791	18.3
143.08553	19.4
144.09314	11.5
145.06456	19.8
145.10127	35.2
146.07307	5.1
147.08026	45.3
147.11678	21.4
149.06006	6.7
149.09613	17.0
151.07509	4.7
153.07010	8.8
153.09012	5.9
155.08527	11.5
156.09261	7.3
157.06534	5.9
157.10063	20.7
158.07246	20.6
159.08046	36.7
159.11697	43.8
160.08751	5.6
161.05913	5.8
161.09602	43.5
161.13240	7.0
163.02769	4.8
165.09065	27.5
166.07684	5.8
168.09358	10.0
169.10071	6.3
171.08072	12.3
171.11662	7.2
172.08875	25.9
173.09630	23.6
173.13264	23.3
175.07550	84.9
175.11137	44.0
177.00687	6.8
178.07845	5.7
179.08578	14.3
181.10051	4.5
183.11723	11.7
185.09558	8.9
186.10336	6.0
187.11163	45.5
189.07008	8.9
189.09068	12.0
189.12730	15.7
189.16156	4.8
190.07594	6.1
191.08629	19.9
191.10536	5.1
193.08614	26.0
193.10170	8.8
194.07227	4.8
194.75488	4.2
196.08836	11.7
199.11145	17.4
201.12772	36.9
202.07771	5.7
203.08754	7.4
203.10638	49.1
205.10168	5.1
205.12175	5.9
207.08075	10.3
211.11171	26.0
217.10480	4.8
217.12196	25.6
218.07320	8.5
219.08070	17.3
219.13759	5.5
221.06142	7.0
221.09538	8.3
229.12250	24.4
233.09578	9.0
234.10388	34.3
235.07544	37.0
236.08221	5.9
237.09081	9.1
247.13304	35.8
249.09048	4.3
250.09891	44.4
265.08554	9.7
265.12140	68.0
265.14471	38.9
273.78476	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	265.1433
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03938	4.5
54.43528	3.6
55.01866	5.2
55.05500	15.3
56.07256	4.2
57.03421	3.9
59.51602	4.0
65.03931	11.2
67.05496	29.3
69.03426	42.6
69.07059	10.4
69.58155	9.1
69.58560	26.0
70.06580	13.1
71.04996	10.6
72.08121	3.8
79.05486	23.5
81.07048	28.8
82.14634	3.4
83.04523	3.8
83.04938	19.0
85.06524	5.6
86.06016	5.1
86.09701	14.7
87.04460	4.2
91.05482	50.0
93.03407	4.9
93.07043	47.9
95.04967	48.0
95.08607	18.7
97.02901	6.3
97.06541	10.6
103.05412	6.7
105.07029	84.6
107.04957	11.5
107.08592	25.2
109.06514	38.0
109.10129	12.5
110.07117	4.3
111.04427	34.5
111.08064	10.9
113.06004	17.7
115.05450	5.9
116.06242	9.6
117.07004	22.1
119.08571	100.0
121.02871	11.6
121.06507	49.3
121.10143	16.3
122.07159	15.7
123.04452	5.1
123.08079	25.2
125.09676	4.7
125.67036	3.6
128.06165	6.1
129.06992	19.2
130.07735	7.0
131.08559	46.1
133.06494	8.4
133.10098	29.2
135.08041	91.5
137.06013	6.2
137.09612	17.8
139.03900	13.9
139.07524	8.1
141.06981	11.2
142.07751	10.6
143.08495	20.6
144.05716	5.9
144.09337	7.2
145.06488	20.4
145.10095	36.2
146.07274	6.0
147.08034	44.5
147.11650	20.9
149.09608	12.4
150.07741	65.1
152.10736	6.1
153.09113	5.9
155.08562	11.7
156.09344	11.6
157.06422	7.2
157.10127	17.6
158.07254	22.5
159.08032	40.8
159.11665	40.5
160.08810	7.5
161.09627	47.8
161.13242	4.6
163.07500	4.1
165.09103	38.0
167.08627	6.7
168.09296	9.8
169.10110	4.9
171.08015	5.0
171.11707	10.4
172.08839	22.6
173.06053	4.2
173.09645	22.7
173.13281	22.6
174.40106	4.5
175.07564	72.5
175.11174	42.3
181.06461	6.7
183.11673	14.5
185.09602	10.1
186.10390	7.1
187.11189	54.3
189.09077	11.6
189.12750	13.8
193.08565	24.0
196.08832	9.1
199.11128	15.6
201.12709	43.3
203.10646	48.9
205.12314	8.5
211.11165	21.2
217.12216	26.8
219.13757	11.2
229.12247	33.4
230.46089	3.9
235.13293	6.8
247.13268	42.4
248.15045	18.5
264.62436	4.1
265.14252	62.1
266.13669	5.3
266.16058	28.2
288.86047	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	265.1433
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03943	8.4
55.05499	16.2
56.05013	5.0
56.96548	6.2
57.07055	6.6
59.04997	5.0
60.04528	7.1
60.05628	6.7
65.03945	13.5
67.05502	39.8
69.03440	45.0
69.07057	22.0
69.51072	47.1
70.06596	65.4
71.04986	10.5
71.46501	5.2
72.08151	30.4
79.05493	32.1
81.07056	28.1
83.04968	13.8
83.08615	8.5
83.87321	5.6
84.04502	17.3
84.08144	41.5
86.09708	55.6
91.04971	7.5
91.05483	80.1
93.03381	6.4
93.07036	55.1
95.04980	64.3
95.08623	29.4
97.02887	10.9
97.06541	7.8
98.21574	9.4
99.04475	6.2
103.05475	15.8
104.10766	6.9
105.07032	76.1
107.04944	20.6
107.08617	27.2
109.06520	34.1
109.10155	9.1
109.11922	5.6
111.04446	30.5
111.08063	15.3
113.05986	13.4
113.18667	4.8
115.05494	10.3
116.06266	7.0
117.07021	21.1
118.06568	11.6
119.04957	10.9
119.08585	100.0
119.68615	6.0
120.08096	29.4
121.02890	10.9
121.06506	40.1
121.10146	14.9
122.07156	33.2
123.04411	9.8
123.08116	26.4
128.06236	11.4
129.06975	19.2
129.10240	10.1
130.07784	9.2
131.08585	48.5
133.06491	17.0
133.10127	23.2
135.08049	80.6
136.07545	10.5
137.09592	14.3
139.03894	13.2
139.06386	5.7
139.07516	12.1
139.12302	11.0
141.07045	9.6
143.08554	16.5
144.04767	8.5
144.09303	9.7
145.06499	21.4
145.10141	31.3
147.08034	46.3
147.11676	17.1
149.05927	7.8
149.09605	8.3
150.07724	39.6
152.05661	6.0
155.08511	8.7
157.06493	5.2
157.10094	22.6
158.07283	19.3
159.08044	49.2
159.11676	39.5
161.09636	50.0
163.07629	7.9
165.09059	28.8
168.09380	11.0
169.10147	7.3
171.07959	9.3
171.11720	9.5
172.08838	18.6
173.09656	26.1
173.13292	19.8
175.07539	73.4
175.11130	37.3
179.08525	10.3
183.11734	12.7
184.07465	7.6
185.09634	13.7
186.10446	8.4
187.11174	46.2
189.09117	15.1
189.12740	11.9
193.08601	22.8
193.10164	10.4
196.08789	8.9
199.11191	11.9
201.12779	30.7
203.08768	10.9
203.10625	43.7
205.12238	6.5
207.08063	7.6
211.11201	20.0
217.12253	24.4
218.07381	8.4
219.08075	13.3
229.12212	25.4
233.09460	5.6
234.10364	13.5
235.07570	31.7
235.13098	9.1
247.13278	39.4
248.15137	10.7
250.09920	27.3
265.12509	36.1
265.14941	21.4
266.16101	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	264.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.05504	6.6
56.96566	7.1
60.74467	2.0
65.03934	3.4
67.05504	15.9
69.07059	6.1
70.06577	4.0
70.14376	2.0
71.07357	4.4
71.58858	2.3
71.70322	2.3
72.08156	28.1
79.05494	100.0
80.05842	2.1
81.03419	3.7
81.07056	19.4
82.07404	4.1
83.08660	2.2
84.08116	3.1
91.05486	40.6
93.07040	17.3
95.04964	16.8
95.08601	5.4
96.04547	3.0
97.06486	2.5
98.06046	3.3
105.07027	33.1
107.04975	10.7
107.08595	55.8
108.08911	2.6
109.06537	6.6
117.07014	3.2
119.08572	17.8
121.10177	6.4
122.10487	3.0
129.07076	2.9
131.08575	6.3
133.06491	4.4
133.10109	13.6
139.09962	12.4
146.99594	2.8
147.11688	31.8
149.13278	8.0
157.10083	3.7
175.11118	5.4
229.36838	2.4
234.10194	3.7
235.07559	5.9
246.18530	41.0
250.09863	3.6
253.11475	2.6
264.08493	7.5
264.19849	6.6
265.12198	7.2
271.12195	3.5
282.10721	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	264.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.05503	3.9
56.88351	1.2
56.96558	2.3
57.03434	1.6
58.64579	1.1
65.03928	2.3
67.05508	8.8
69.03425	2.3
69.07056	2.5
71.07378	6.1
71.59222	1.4
72.08150	17.6
77.63692	1.1
79.05495	100.0
80.05798	1.5
81.03418	2.1
81.07063	8.2
91.05481	26.2
93.07038	7.6
95.04976	10.0
95.08601	3.8
96.04467	2.6
98.06030	1.4
105.07030	22.5
107.04951	4.8
107.08594	71.1
109.06524	6.3
117.07001	2.1
119.06117	1.6
119.08579	5.4
121.10173	1.6
124.07496	1.1
131.08568	4.4
133.06479	2.9
133.10129	7.5
138.86177	1.1
139.09921	16.1
147.07965	3.0
147.11705	11.0
149.13263	4.3
152.10684	2.2
157.10170	1.6
175.11247	6.0
218.07486	1.3
219.08104	1.3
234.10623	1.7
235.07506	1.9
246.18521	33.3
250.09908	3.8
259.12228	1.4
264.10406	3.6
265.12296	4.7
265.75552	1.2
289.08875	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82397	0.5
52.75180	0.6
54.75402	0.6
56.05037	1.4
56.86837	0.6
56.96567	100.0
59.06110	1.0
60.04529	1.4
62.99595	0.6
68.05038	1.0
68.42320	0.6
69.03414	1.1
70.06599	4.8
70.18907	2.0
71.95271	1.4
72.08164	2.1
72.96048	2.7
74.02443	5.7
74.06081	2.0
74.97623	2.5
79.05484	1.0
80.05045	0.9
81.03423	0.8
81.07056	1.1
82.06609	0.6
83.04968	0.7
83.06111	1.1
83.97660	1.1
84.04532	1.6
84.08126	2.7
86.09730	1.0
87.05604	1.9
88.04007	0.8
88.05949	0.8
91.05495	1.4
95.04951	0.7
96.04525	0.6
97.02925	0.7
97.99184	0.9
98.97594	6.0
101.07178	0.6
101.98715	0.7
103.05488	1.0
105.07052	2.0
106.06561	0.8
107.04980	2.5
108.04472	0.8
109.06548	0.6
110.06085	1.4
110.07141	2.9
116.00266	0.8
116.98624	8.2
117.05818	0.8
118.06559	3.1
119.01951	1.4
119.05006	0.7
119.07302	1.1
120.02070	1.3
120.08102	4.4
129.10283	0.8
130.06583	1.6
131.04964	2.6
132.02081	0.8
132.05267	3.0
132.08115	2.9
133.07608	0.9
134.06013	0.9
134.99652	7.7
136.06226	1.3
136.07593	0.9
144.08110	0.7
146.06071	0.7
148.07716	0.9
150.07713	2.8
153.00745	2.2
159.09222	2.8
160.07619	1.8
160.09894	0.6
161.03062	1.0
161.08069	1.5
162.03123	1.6
162.04262	4.2
162.97932	1.1
163.04549	7.5
164.07120	1.1
167.03874	2.6
169.01846	0.6
173.08041	0.8
174.03127	1.2
176.03845	14.2
177.02319	1.2
177.10303	0.8
178.05394	13.7
178.06891	0.7
181.01820	2.2
183.03296	5.1
183.09219	0.8
183.16045	0.6
185.04947	1.1
187.02881	1.0
191.11876	1.7
192.03348	1.2
194.04884	11.1
194.06543	0.8
196.06465	15.4
197.01320	0.8
199.03064	0.7
200.12012	2.0
201.04350	8.5
201.10275	1.3
204.03265	4.6
208.02808	4.3
210.04518	2.8
218.12935	3.2
219.05600	0.9
219.08009	1.0
222.04387	61.4
223.04745	1.0
226.03868	6.2
240.05441	66.7
241.05904	1.2
242.08853	1.6
245.05969	6.1
246.06102	0.6
246.10019	1.0
246.12555	1.9
247.08087	1.6
247.10921	0.9
263.07178	2.8
264.05585	8.7
264.09320	2.0
264.10602	1.8
264.13669	5.9
282.06686	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03933	1.8
53.35309	1.4
55.05508	18.1
56.51364	1.3
57.03426	2.0
57.07072	12.0
65.03918	2.3
67.05499	82.0
69.06717	1.7
69.07059	18.1
70.32304	2.5
70.32662	5.3
71.04977	1.8
71.08617	6.1
78.22204	1.3
79.05483	25.1
81.07052	100.0
83.04958	2.9
83.08611	15.5
83.73568	1.2
85.06530	5.5
85.10165	2.7
91.05476	19.3
93.07037	25.9
95.08598	87.7
97.06512	7.9
97.10163	7.3
99.08080	4.9
104.99210	3.6
105.07022	9.4
107.08598	14.4
109.06490	1.9
109.10147	43.1
111.08079	3.3
113.09631	2.7
119.08561	12.2
121.10137	18.1
123.08080	3.1
123.11696	18.6
127.11144	1.5
131.08530	1.3
133.10112	14.3
135.11682	12.1
137.09651	1.9
137.13257	10.3
141.12708	2.3
147.11664	12.6
149.13231	6.0
151.11172	2.0
151.14838	8.1
161.13235	11.9
163.14810	7.6
163.16011	1.4
165.16394	9.8
175.14810	5.5
177.16490	1.5
179.17953	3.6
181.15933	1.8
189.16351	4.1
217.19559	1.7
244.61943	1.6
245.22641	36.3
263.08173	2.1
263.14667	2.7
263.23682	66.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14090	1.4
54.42270	1.4
55.05510	15.7
57.03415	1.8
57.07074	13.4
61.97860	1.5
65.03941	2.3
67.05505	85.2
68.46014	1.5
69.07067	14.4
70.42002	2.8
70.42378	2.4
71.04991	2.5
71.08621	6.1
79.05491	19.9
81.07059	100.0
83.04980	2.2
83.08622	11.5
85.06538	3.1
91.05480	18.6
93.07051	24.5
95.04964	4.0
95.08608	85.8
97.06523	6.5
97.10176	6.1
99.08107	6.2
105.07037	11.1
107.04941	4.8
107.08602	13.9
109.10157	39.1
111.08098	6.2
113.09643	2.4
119.08578	12.3
121.10151	13.9
123.08075	3.1
123.11731	16.2
131.04944	5.3
133.10136	14.3
135.11732	10.9
137.09639	3.5
137.13243	7.4
141.12776	1.7
147.11687	9.7
149.13263	5.9
151.14848	6.0
161.13229	10.7
163.14833	5.0
165.16391	8.7
169.06465	1.8
175.14851	5.6
177.59091	1.8
179.17947	2.8
189.16376	2.9
203.17950	1.7
221.18692	1.6
245.09622	1.7
245.22653	25.0
246.35782	1.5
248.08452	2.0
263.10703	4.4
263.23694	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
50.62907	1.8
53.03944	2.3
55.01871	2.6
55.05513	17.7
57.07079	12.6
65.03950	2.3
67.05504	91.0
69.07069	21.3
71.08609	7.0
79.05490	28.4
81.03386	3.5
81.07055	100.0
83.08628	14.5
85.06544	4.2
85.10189	2.6
91.05482	20.6
93.07037	26.9
95.04958	5.0
95.08607	83.2
97.06525	12.0
97.10155	7.6
99.08078	5.6
99.88193	1.7
105.07040	14.7
107.04955	2.6
107.08601	13.7
109.06517	3.6
109.10150	42.7
111.08060	8.8
119.08558	13.9
121.10146	15.3
123.08064	6.7
123.11696	15.9
133.10130	14.1
135.11707	10.8
135.32132	1.7
137.09647	5.3
137.13239	8.3
139.11140	3.1
147.11693	8.1
149.13257	6.6
151.14827	8.9
161.13255	8.1
163.14830	6.2
165.16415	5.6
175.14816	5.5
177.16359	2.7
179.17953	2.2
189.16354	3.3
192.56055	1.9
245.22633	24.5
263.10562	2.4
263.14658	7.6
263.23703	80.7
264.24115	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	263.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.5
55.01871	2.0
55.05515	15.9
57.03435	1.7
57.06870	1.2
57.07072	12.4
58.04435	1.6
58.79472	1.3
65.03923	3.4
67.05507	87.9
69.06789	1.5
69.07072	17.4
70.68691	4.5
71.04987	1.5
71.08633	7.2
79.05064	1.8
79.05492	22.7
81.03395	4.5
81.07059	100.0
83.04981	4.0
83.08621	13.1
85.06522	5.9
91.05482	20.1
93.07047	26.9
95.04953	5.5
95.08611	86.3
97.06544	11.4
97.10149	7.0
99.08091	5.9
104.99279	2.3
105.07030	13.1
107.04951	3.6
107.08600	12.4
109.06551	1.8
109.10156	40.4
111.08054	6.1
111.11713	1.8
113.09627	2.3
119.08595	13.3
121.10143	17.5
123.08063	5.9
123.11714	16.4
127.11183	2.3
131.04927	3.5
133.10127	16.2
135.11679	10.4
137.09566	3.8
137.13300	7.5
147.11708	11.9
149.13257	8.8
151.11185	2.5
151.14804	6.8
161.13242	9.0
163.14821	7.6
165.16379	7.5
172.95187	2.8
175.14803	7.0
177.16344	1.7
179.17871	3.4
189.16322	3.8
190.96280	3.2
203.17905	1.8
245.22659	24.1
263.10663	2.0
263.14621	6.1
263.20761	3.6
263.23703	75.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
50.43460	1.6
52.37457	1.9
53.03942	2.3
55.05510	15.7
57.07074	11.3
65.03909	1.9
67.05504	85.6
69.07064	16.5
70.05735	5.3
70.06155	2.4
71.04973	2.1
71.08611	5.6
79.05480	21.1
79.56799	1.8
81.07056	100.0
83.04964	1.9
83.08620	13.6
84.54514	1.7
85.06553	4.2
85.10161	3.1
91.05484	15.1
93.07030	22.2
95.05003	2.9
95.08608	83.7
97.06529	8.5
97.10164	6.8
99.08092	5.7
105.07011	12.2
107.04950	3.3
107.08591	11.5
109.10162	41.0
111.08069	4.9
113.09628	3.0
119.08583	15.1
121.10136	15.0
123.08029	2.3
123.11688	18.7
123.75642	2.0
131.04880	2.8
133.10130	15.0
135.11694	7.9
137.09627	4.5
137.13269	7.8
145.68697	1.5
147.11748	8.9
149.13255	9.2
151.14812	8.6
151.80946	1.7
157.51796	1.7
159.11603	1.8
161.13280	8.5
163.14890	8.5
165.16386	7.0
175.14806	4.3
179.17978	2.8
186.23790	1.7
189.16489	2.9
203.17903	1.9
220.55794	1.8
245.22684	21.6
256.43469	1.9
259.03436	1.9
263.10681	5.0
263.23709	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03930	3.4
54.87913	3.0
55.05515	17.0
57.07075	22.8
58.45767	2.5
60.17155	3.0
67.05501	80.1
69.07065	19.3
70.77888	3.4
70.78265	9.3
71.08635	15.9
74.18509	3.1
76.71252	2.8
79.05502	28.1
81.07056	100.0
81.27072	3.4
83.04982	3.3
83.08620	12.9
85.06535	7.5
91.05479	32.2
93.07039	35.6
95.04934	5.2
95.08611	79.5
97.06528	10.6
97.10181	7.7
99.08091	6.4
101.42458	3.0
105.07035	26.9
107.08607	23.8
109.06540	3.9
109.10160	45.3
111.08075	6.5
113.09656	3.5
119.08571	25.7
121.10143	24.1
123.08041	6.2
123.11683	16.5
133.10129	27.0
135.11678	18.3
137.09599	8.2
137.13257	5.3
141.12764	5.3
147.11691	19.2
149.13240	12.4
151.11240	3.7
151.14810	6.8
161.13235	17.0
163.14789	8.2
164.55063	3.1
165.16373	7.2
167.92970	2.8
175.14827	12.4
177.16449	3.5
179.17909	3.5
189.16417	6.1
191.18102	3.6
217.19539	4.0
219.21127	4.3
228.26321	3.5
245.22649	58.3
263.14355	3.8
263.23697	87.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
55.05515	15.9
57.01832	2.9
57.07063	14.1
59.82758	3.8
59.99648	3.2
65.03932	3.1
67.05500	88.4
69.07063	17.2
70.19366	16.7
71.08624	6.4
75.46191	3.1
79.05495	20.5
81.06573	6.0
81.07051	100.0
83.04958	3.4
83.08607	15.1
85.06535	6.8
91.05489	19.1
93.07028	30.7
95.08601	89.0
97.06521	7.6
97.10159	11.3
99.08125	3.4
101.49529	3.5
105.07046	16.2
107.08599	23.7
109.10160	42.1
113.09651	3.1
119.08563	22.9
121.10125	24.7
123.11697	15.2
133.10103	21.6
135.11685	11.7
137.09599	6.7
137.13226	10.0
147.11671	11.6
149.13249	10.1
151.14891	4.9
161.13246	11.7
163.14804	10.4
165.16335	3.7
175.14801	7.4
189.16362	8.0
203.18063	3.7
245.22659	47.7
263.23651	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	263.2006
Annotation	(Z)-alpha-trans-Bergamotol acetate
Peak:m/z	Relative Intensity
53.03941	5.3
54.15660	1.7
55.01864	5.0
55.05509	19.8
57.03439	69.1
57.07069	9.0
59.04992	2.8
65.03941	3.2
65.87465	1.8
67.05505	87.2
68.84183	1.7
69.07069	22.2
69.58077	13.6
71.05000	3.6
71.08634	4.4
74.84485	2.3
79.05489	40.7
81.03419	6.7
81.07059	100.0
82.07407	2.7
83.04976	6.5
83.08627	13.8
85.06532	7.6
91.05485	36.8
93.06474	3.8
93.07041	59.9
95.04962	12.8
95.08609	90.5
97.06553	9.6
97.10184	4.3
98.21503	4.0
99.08099	3.6
100.59380	1.9
103.05471	4.5
104.68153	1.9
104.99279	5.1
105.07038	21.9
107.04961	22.1
107.08598	28.3
109.06537	20.2
109.10161	48.3
110.64711	2.1
111.08092	6.9
113.09652	2.2
117.07018	12.7
119.08579	18.9
121.10139	18.0
122.10542	2.1
123.08074	8.0
123.11716	16.2
129.07045	3.1
131.04930	16.6
131.08568	22.3
133.10130	18.8
135.08069	2.5
135.11720	9.9
137.09637	10.5
137.13261	5.1
141.07082	2.0
145.06612	2.4
145.10127	4.8
147.11725	13.6
149.13246	6.9
151.11168	5.6
151.14825	5.4
152.51683	2.3
155.00420	2.1
156.93971	2.2
159.11687	4.1
161.13251	8.0
163.11122	2.4
163.14815	6.6
165.16426	3.5
169.06535	4.9
170.07198	2.2
173.13301	21.8
175.14868	3.9
177.16527	2.6
186.96896	2.5
191.14316	5.5
202.07770	3.3
204.97897	3.0
207.08076	2.2
207.17445	3.8
217.07631	2.3
217.10107	3.5
219.08183	4.1
220.08868	5.4
235.11203	4.8
245.09570	2.9
245.18993	4.1
245.22639	15.8
247.07671	2.8
248.08246	6.3
263.10782	17.6
263.20093	32.6
263.23624	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2004
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
51.15352	2.3
53.03940	3.9
55.01866	5.4
55.05508	12.5
56.96550	5.4
57.03417	6.8
57.07055	3.5
67.05502	43.2
69.07054	11.3
71.04984	2.7
71.59685	3.0
79.05490	41.1
81.03424	2.3
81.07056	47.4
83.04984	3.1
83.08615	6.9
85.06511	2.8
91.05485	28.6
93.07040	36.5
95.04954	12.2
95.08601	41.3
97.06520	4.5
99.08120	2.4
103.05492	2.7
104.99262	6.6
105.07019	21.7
107.04954	16.2
107.08595	40.0
109.06511	11.9
109.10141	12.0
111.08067	6.3
114.33823	2.0
115.05458	2.0
117.07014	7.7
119.08566	14.9
121.06522	3.1
121.10123	23.5
123.08085	7.5
125.09662	3.3
129.07010	4.5
131.04897	14.3
131.08574	10.1
133.10158	10.9
135.08054	8.1
135.11693	8.7
137.09592	8.8
143.08575	3.5
145.10118	8.9
147.08022	5.0
147.11681	7.3
149.09615	6.2
149.13263	3.5
151.11166	5.3
158.95746	2.4
159.10243	3.1
159.11629	3.2
161.02931	8.3
161.09581	2.3
161.13283	2.5
163.11143	3.3
163.70453	2.2
169.06491	4.6
171.11734	3.7
173.13261	6.4
175.11148	3.7
189.51886	2.4
192.93745	6.8
193.94060	13.7
194.93442	100.0
199.14841	3.5
202.07742	3.0
217.07475	2.4
217.15715	2.2
220.08887	2.7
221.15474	2.0
227.17949	5.1
235.07721	2.9
235.11143	3.4
235.96115	2.8
245.15306	2.9
245.19093	10.0
248.08452	4.2
248.62148	2.2
262.97382	6.2
263.10751	10.7
263.14032	2.9
263.16663	5.4
263.20050	42.9
263.96725	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2006
Annotation	(Z)-alpha-trans-Bergamotol acetate
Peak:m/z	Relative Intensity
53.03930	6.1
55.01855	7.3
55.05273	2.4
55.05510	26.9
56.96541	5.8
57.03439	34.1
57.07077	3.9
65.03952	5.4
67.05137	3.0
67.05505	76.8
69.03413	7.7
69.07069	22.4
69.35458	16.7
71.04984	9.6
79.05496	87.6
81.03407	5.5
81.06586	4.3
81.07057	78.4
81.57972	1.9
83.04971	11.0
83.08626	13.9
85.06537	7.9
86.09727	2.0
87.00662	2.8
91.05483	58.2
93.07044	90.2
95.04970	19.9
95.08611	78.7
97.06544	11.5
97.10185	6.9
98.21499	4.9
99.08086	4.6
103.05470	7.1
104.03329	3.2
104.99256	6.2
105.06384	3.7
105.07030	43.7
107.04959	36.9
107.08603	68.7
108.64818	2.0
109.06534	27.7
109.10165	28.4
111.08067	8.8
115.05489	3.3
115.96381	2.1
117.07020	18.5
119.01902	2.0
119.04971	4.4
119.08587	31.0
121.06468	5.2
121.09330	3.5
121.10152	46.7
123.08082	16.7
123.11662	5.7
125.09632	4.1
128.06175	4.4
129.07008	7.3
131.01926	3.0
131.04935	26.5
131.08556	26.1
132.05695	3.9
132.10168	2.4
133.06473	4.1
133.10127	25.5
135.08057	9.6
135.11708	26.3
137.09596	10.3
141.06985	4.9
143.08540	4.8
145.06482	3.7
145.10117	16.6
147.08073	5.0
147.11691	17.5
149.09648	12.3
149.13307	10.0
149.78247	2.2
151.11163	8.9
157.10124	8.0
159.10266	3.0
159.11700	9.2
161.02942	2.5
161.09665	4.8
161.13242	12.3
163.11185	5.8
163.14880	2.9
165.12749	2.7
169.06476	13.1
171.11681	8.5
173.11778	3.8
173.13242	26.4
175.11197	3.1
175.14848	5.3
185.13211	6.1
187.14899	3.4
189.12770	4.9
199.08974	2.1
199.14888	2.4
202.07742	3.4
207.08080	4.4
207.13832	2.1
215.08656	2.5
217.09937	2.4
217.19400	3.7
219.08081	4.4
220.08763	7.1
227.17932	16.0
235.11168	8.0
236.05844	2.2
245.09598	9.2
245.19035	21.1
247.07343	2.8
248.08334	7.8
261.13638	2.8
263.10706	39.1
263.20062	100.0
264.10669	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	263.2005
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03947	6.8
55.01870	16.8
55.05521	27.9
56.96565	7.1
57.03439	93.9
57.07085	6.8
65.03904	7.1
67.05507	86.9
69.07066	21.0
70.78719	12.7
71.04997	10.1
79.05492	100.0
81.07059	54.2
83.04987	5.6
83.08601	7.8
84.08166	5.1
85.06547	37.0
91.05478	99.8
93.07042	85.8
95.04975	19.0
95.08609	49.5
97.06518	9.3
97.10136	7.3
103.05473	8.1
104.99274	5.9
105.07033	66.1
107.04955	36.5
107.08598	71.1
109.06509	55.3
109.10171	10.0
111.08105	4.2
111.66927	4.6
115.05441	10.2
117.07018	39.6
119.04975	4.9
119.08573	36.8
121.06500	6.5
121.10134	32.4
123.08054	8.1
128.06232	11.5
129.07031	20.6
130.07774	6.7
131.04929	38.0
131.08591	46.8
133.06473	10.1
133.10118	20.9
135.08057	41.8
135.11694	10.8
140.15089	5.0
141.07048	5.1
142.07751	6.4
143.08546	23.8
145.10120	28.3
147.08035	7.3
147.11693	15.2
149.09630	20.3
149.13280	6.8
157.10104	21.3
161.02991	10.9
161.09589	24.1
161.13271	7.4
169.06570	9.3
171.11652	7.1
173.13321	16.1
175.11186	9.4
178.30357	5.1
185.13258	9.3
189.12729	9.2
191.14343	8.0
202.07852	10.7
203.06921	5.1
219.08206	5.6
220.08812	10.5
227.17964	5.0
235.11165	5.4
245.09648	8.9
245.19077	18.8
248.08383	11.7
260.61008	4.2
263.10669	42.8
263.16608	15.1
263.20084	70.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2004
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03922	4.0
55.01852	2.8
55.05267	1.4
55.05508	21.3
56.96549	2.3
57.03421	2.9
57.07049	3.7
57.41640	1.3
65.03912	1.7
67.05495	39.4
69.03416	1.6
69.07057	21.3
71.04951	2.4
71.08601	1.4
71.59937	2.3
73.06568	1.1
77.03905	1.4
79.05485	92.9
81.03423	2.2
81.07050	48.9
83.04946	3.7
83.08612	10.6
85.06537	3.1
91.05470	37.8
93.07034	100.0
95.04951	12.2
95.08589	31.2
97.06511	4.9
97.10152	5.1
104.99253	13.1
105.07009	25.2
107.04940	2.0
107.08582	55.2
109.06500	7.1
109.10143	15.4
111.08064	4.5
111.11681	1.3
117.06992	5.2
119.07793	1.9
119.08573	23.8
121.06467	2.3
121.10134	41.6
121.11019	2.1
123.08006	3.7
123.11701	3.9
125.09554	2.1
129.06972	3.2
131.08533	7.4
133.10135	15.3
135.08044	2.6
135.10669	2.6
135.11668	41.1
137.09593	3.7
143.08537	6.1
145.10083	5.1
147.11671	12.8
149.09549	3.2
149.13245	16.7
151.11195	2.0
157.10092	2.7
159.11679	4.1
161.09657	2.1
161.13269	7.1
163.11133	2.7
165.16345	1.4
171.11656	6.6
175.11104	2.4
175.14819	1.5
179.10429	1.4
181.12234	2.1
185.13264	2.9
189.12785	2.2
193.12248	1.4
194.93475	3.9
199.14774	3.1
201.16374	1.3
203.14232	2.1
203.17949	2.1
206.10947	2.0
207.13768	3.7
217.07474	1.8
217.19589	1.6
221.13350	2.1
221.15385	4.3
227.17929	4.1
233.13261	1.4
245.18979	5.3
263.17651	5.0
263.20050	71.9
263.96530	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2004
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
50.85823	1.3
53.03930	5.1
55.01857	4.7
55.05506	22.1
57.03420	2.5
57.07073	19.6
57.62929	1.6
58.65146	1.4
60.60274	1.6
65.03926	2.4
67.05499	52.5
69.03400	2.0
69.06718	2.4
69.07065	33.7
69.25681	3.4
69.26006	16.8
71.04969	5.5
72.23548	1.4
79.05489	52.2
81.03436	3.4
81.06573	2.7
81.07052	53.9
83.04985	10.7
83.08622	7.2
85.06539	14.3
91.05472	34.3
93.07039	65.9
95.04966	15.8
95.08601	44.7
97.06532	7.2
97.10170	2.3
104.99276	9.3
105.07026	26.9
107.04950	8.5
107.08585	30.0
109.06513	12.5
109.10149	18.1
111.08105	3.7
117.06989	4.0
119.08588	20.5
121.06508	5.6
121.10144	24.0
123.08054	10.9
123.11687	6.2
129.06972	3.9
131.08540	9.2
133.06494	3.7
133.10124	21.8
135.08099	3.6
135.11700	17.6
137.09604	10.1
143.08563	4.5
145.10121	9.7
147.08035	4.5
147.11646	10.4
149.09625	2.4
149.13243	6.6
151.11188	12.5
153.09142	1.6
157.10065	2.2
159.11641	7.1
161.09552	1.9
161.13243	8.0
163.11182	5.3
163.14833	1.9
168.95694	1.9
171.11656	4.5
172.95129	1.7
173.13318	1.9
175.11218	3.3
175.14713	1.9
179.14301	15.1
186.96797	5.7
187.14780	2.2
189.12732	4.6
195.13832	4.0
201.16385	2.7
203.14267	2.3
203.17953	2.0
204.97855	5.5
207.13803	11.1
221.15407	3.0
227.17940	3.2
235.20589	2.1
242.99457	3.1
245.19023	13.9
263.10629	2.7
263.20065	100.0
263.23462	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2006
Annotation	(Z)-alpha-trans-Bergamotol acetate
Peak:m/z	Relative Intensity
53.03944	5.6
55.01868	7.1
55.05515	24.9
56.96560	6.3
57.03429	9.4
57.07072	3.6
65.03931	3.2
65.84219	3.0
67.05506	61.2
69.07070	21.2
71.58527	3.2
79.05494	81.9
81.03401	4.3
81.07059	68.3
83.04993	6.7
83.08620	12.9
85.06537	5.0
91.05486	41.2
93.06473	6.4
93.07049	100.0
95.04958	24.2
95.08606	68.2
97.06533	8.2
97.10150	6.1
103.05474	7.3
104.99261	21.9
105.07028	33.2
105.91972	2.8
107.04960	39.5
107.08597	66.4
109.06572	16.6
109.10178	18.5
111.08086	4.1
117.07026	10.1
119.08586	21.3
121.10142	56.9
123.08043	8.0
129.07008	6.0
131.04926	27.3
131.08604	7.2
132.05710	3.9
133.10126	19.6
135.08099	5.2
135.11705	31.7
137.09644	5.9
143.01862	4.9
143.08496	3.9
145.06415	3.6
145.10144	9.6
147.11676	16.5
149.09601	5.7
149.13289	16.8
151.11209	9.2
157.10173	4.9
159.11644	5.2
161.02986	9.2
161.13252	9.8
163.14793	3.8
169.06468	7.6
171.11664	3.5
185.13295	3.7
189.12645	4.6
193.12280	3.7
199.14854	4.1
202.07874	4.5
217.07535	5.2
217.10146	5.4
220.08899	4.8
227.17868	6.4
235.11229	7.5
245.09480	5.9
245.19218	7.7
245.22632	4.2
247.07718	3.8
248.08360	6.7
263.05936	3.8
263.10812	27.3
263.13391	5.3
263.20084	83.9
263.23239	3.9
266.54178	3.2
273.30164	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	263.139
Annotation	L-phenylalanyl-L-proline
Peak:m/z	Relative Intensity
55.01876	0.6
55.05500	1.3
56.05032	1.0
56.96555	0.8
57.03445	0.5
65.03941	0.4
67.05484	1.0
69.07059	0.5
70.06592	42.5
70.07336	1.5
71.06921	0.5
72.08150	1.3
73.30015	0.4
79.05515	0.7
81.07059	0.7
84.04506	0.8
84.08144	3.0
85.02912	0.5
85.12601	0.4
86.09705	4.1
86.99049	0.5
91.05476	4.6
93.07036	2.4
95.04973	1.1
98.21483	0.5
103.05464	8.9
103.99973	0.4
104.10754	0.7
105.07012	1.2
107.04967	4.9
109.06546	0.6
110.07162	1.4
114.05502	0.5
115.05433	0.8
116.01668	1.2
116.07090	74.6
117.02016	0.8
117.07011	0.5
119.01917	1.4
119.04937	1.5
119.08590	0.5
120.08102	100.0
121.06496	0.4
121.08430	1.8
122.76706	0.4
129.06984	0.4
129.10243	0.5
130.06541	0.7
131.04918	3.8
135.08099	0.4
136.07658	0.6
137.02992	0.5
141.07011	1.4
143.01930	0.7
145.06496	1.2
146.93431	0.5
149.55621	0.4
158.05986	0.5
161.02945	3.9
162.02258	0.8
169.05238	0.5
169.06485	3.0
173.02972	0.9
184.07385	1.3
191.03964	0.8
194.07265	0.8
198.05493	1.4
202.07788	3.5
203.08592	0.8
207.08064	0.6
215.08578	0.9
217.10016	2.0
219.07964	1.1
220.08855	2.1
221.09547	0.5
226.07771	1.1
227.08553	0.9
231.07896	2.0
233.09445	0.7
235.07547	1.1
235.11221	2.2
242.61751	0.5
244.08846	0.8
245.09607	6.2
247.07620	2.6
248.08318	5.4
249.08925	0.5
257.58093	0.4
263.06256	0.7
263.10669	15.5
263.13889	8.4
263.16452	0.9
263.23779	0.5
264.11047	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1639
Annotation	[1R-(1alpha,4abeta,6alpha,8aalpha)]-1,2,4a,5,6,8a-Hexahydro-6-hydroxy-4,7-dimethyl-a-methylene-1-naphthaleneacetic acid methyl ester
Peak:m/z	Relative Intensity
53.03938	2.9
55.01860	6.4
55.05510	17.3
56.96550	6.4
57.07082	2.3
67.05506	14.0
69.03412	7.9
69.07060	15.1
70.06583	13.3
70.85797	4.6
71.04978	8.7
72.08163	5.5
79.05492	23.1
81.03418	2.9
81.07050	19.5
83.04977	8.7
84.08115	3.3
85.02893	2.9
86.09711	2.4
89.02422	2.1
91.05468	35.6
93.07034	41.8
95.04967	14.9
95.08590	11.8
97.06493	13.0
100.11226	2.1
101.63811	2.2
103.05437	3.4
105.07022	82.1
107.04298	3.3
107.04923	15.8
107.08577	28.3
108.20307	2.1
109.02879	6.3
109.06503	8.9
109.10199	4.1
110.07236	2.0
112.56540	2.4
115.05434	2.7
117.07017	13.3
119.04912	2.9
119.08578	63.3
120.08175	2.9
121.06488	10.2
121.10130	19.3
123.04402	2.4
123.08049	4.6
125.05978	6.6
128.06215	7.0
129.05482	3.9
129.07030	11.5
130.07770	2.7
131.04933	6.1
131.08568	17.7
133.06497	5.2
133.10114	30.2
135.08047	6.4
135.11626	3.0
142.07764	8.0
143.07022	8.9
143.08542	15.7
144.09428	2.0
145.10106	31.1
147.04420	6.1
147.08032	9.8
147.10487	5.3
147.11676	100.0
149.09572	15.6
151.03954	3.1
151.07591	3.3
153.05495	2.5
156.09258	4.2
157.10106	30.5
159.08046	4.6
159.11682	8.7
161.06009	4.1
161.09648	7.3
161.13242	7.7
163.11157	5.4
169.04971	12.9
170.10989	4.6
171.11716	5.6
175.11206	6.7
175.14751	12.6
183.10216	3.0
185.13240	24.0
189.09128	3.7
190.94888	6.1
199.14745	12.8
201.16457	2.9
203.10713	3.1
203.14310	10.3
217.12120	4.2
217.15820	7.8
227.14355	7.0
235.07423	2.7
245.09680	4.6
245.11769	5.0
245.15350	29.4
248.08273	3.1
249.09290	2.2
263.10699	18.4
263.13214	4.0
263.16434	39.8
263.20746	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	263.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
55.05502	1.6
56.96291	1.4
56.96562	23.2
67.05501	3.7
69.03432	0.6
69.07043	2.0
70.13572	2.6
71.95227	2.0
74.97630	0.8
79.05487	6.5
81.03389	0.7
81.07061	5.6
83.08621	1.1
84.21950	0.6
84.96004	0.9
85.06519	0.8
90.90444	0.6
91.05466	4.6
93.07037	6.1
95.04948	1.7
95.08629	3.5
97.06498	0.9
98.97578	1.2
100.02450	0.7
104.99271	6.2
105.06995	2.7
107.04958	2.1
107.08576	4.6
109.06506	1.8
109.10130	1.5
116.98589	1.3
117.07025	0.7
119.08586	2.7
121.06477	0.8
121.10127	3.8
123.01162	1.7
128.98593	1.2
131.08580	0.9
133.01657	0.7
133.10101	2.0
135.08025	1.3
135.11687	2.9
137.02798	1.0
139.00719	0.8
139.37779	0.9
141.02180	1.1
143.08607	0.9
145.10162	0.9
146.99631	2.4
147.08034	0.9
147.11661	1.1
149.13266	1.1
153.02217	1.7
155.03795	1.0
157.01732	2.7
159.11647	0.8
161.13301	0.9
169.01674	2.3
171.03310	5.6
171.11644	0.8
173.04823	1.4
175.02733	0.9
181.05379	1.1
183.03270	1.6
185.04793	3.8
187.02766	1.8
189.04350	3.3
193.94077	2.0
194.93459	7.6
197.04892	1.4
199.06404	4.2
201.04346	1.0
203.05841	4.2
217.07416	7.2
222.08026	1.3
225.07959	1.4
233.08324	1.2
238.25056	0.7
243.08972	1.3
245.18959	1.0
251.09544	2.3
263.12534	100.0
263.19977	4.3
263.96707	2.7
264.13013	0.8
269.10507	1.4
281.10623	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	263.1065
Annotation	1,6-Dimethoxypyrene
Peak:m/z	Relative Intensity
51.02358	0.9
53.03945	1.5
55.01856	1.8
56.96542	2.3
62.98348	0.7
66.52607	0.8
67.05498	1.9
68.69680	0.7
69.07039	1.2
69.64651	4.4
70.06559	1.1
77.03917	0.9
79.05498	5.6
81.07046	1.6
84.08140	1.0
90.24161	0.8
91.05481	8.0
93.07020	1.6
95.04972	3.2
95.08593	2.0
101.82870	0.7
103.05465	12.5
105.03423	0.8
105.07040	1.7
107.04953	75.0
107.08587	1.2
115.05441	3.4
117.07018	3.0
119.04932	5.4
119.08543	1.1
121.02897	1.0
129.07008	1.8
131.04926	86.7
132.05717	7.7
135.11690	1.2
141.06985	9.6
143.08565	1.3
145.06488	9.6
147.04456	2.3
152.06178	0.8
157.06523	1.3
161.02971	1.9
165.06992	2.5
169.06485	26.5
170.07214	3.4
171.08032	2.2
178.07797	2.2
179.08524	2.2
189.07158	1.6
190.07814	1.9
191.08522	3.6
192.09351	3.0
194.07248	2.0
196.70795	0.8
202.07782	18.3
203.08458	3.8
204.09322	0.9
205.06541	2.3
205.10124	2.5
207.08099	5.8
207.11702	2.1
215.08554	5.7
216.09346	1.9
217.10144	8.6
218.07272	3.5
219.08060	23.5
220.08820	19.8
221.09534	2.7
226.07774	4.5
227.08562	2.3
231.08032	7.1
232.08734	1.1
233.09601	4.0
234.06758	1.7
235.07658	4.1
235.11172	24.9
236.08267	1.2
243.08241	1.7
244.08775	4.6
245.09618	20.4
245.15422	0.9
246.10353	3.5
247.07610	6.4
248.08319	14.7
249.09064	1.4
261.09265	1.8
262.09866	2.2
263.10669	100.0
263.24060	1.2
264.11063	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1066
Annotation	1,6-Dimethoxypyrene
Peak:m/z	Relative Intensity
53.03937	1.7
55.01860	2.1
55.05501	2.6
56.96553	2.9
57.03428	1.9
65.48452	0.7
67.05499	5.0
69.07075	1.9
69.97506	4.1
70.06591	0.8
71.04977	0.7
76.16304	0.7
78.81125	0.7
79.05497	7.8
81.07053	5.1
83.04987	0.9
83.08618	0.9
91.05490	9.6
93.07040	7.1
95.04948	3.8
95.08607	4.8
100.08578	0.7
103.01148	0.9
103.05470	12.2
104.99265	2.3
105.07053	4.4
107.04954	66.6
107.08598	3.7
109.06560	1.3
109.10147	2.4
111.99965	1.2
115.05457	5.1
117.07011	3.4
119.01927	0.9
119.04931	5.9
119.08605	2.2
121.00505	4.5
121.02883	1.0
121.06458	1.0
121.10145	2.7
121.50651	1.3
123.08031	0.8
129.07013	1.9
131.04929	94.8
131.08583	1.9
132.05730	6.9
133.06477	1.2
133.10138	1.9
135.08018	1.1
135.11678	2.4
137.09618	1.0
139.49214	0.7
141.06987	9.6
142.07756	0.8
143.01802	2.3
143.04955	0.9
143.08627	1.0
145.06483	10.3
145.10120	1.5
147.04430	2.1
147.08035	0.8
147.11722	1.8
149.02252	0.9
149.09619	1.2
149.13196	1.1
151.11124	0.9
152.06253	0.8
157.06473	1.7
161.02931	1.8
165.06964	1.4
169.06483	31.5
170.07233	3.2
171.08043	2.6
172.01088	1.0
177.50356	1.6
178.07811	1.7
179.08588	1.9
181.06555	1.2
189.07100	1.2
191.08572	2.6
192.09334	3.4
193.10178	1.3
194.07278	2.6
202.07800	14.2
203.08574	2.4
205.06509	3.3
205.10153	1.1
206.07140	1.0
207.08017	4.6
207.11743	2.6
215.08534	4.0
216.09447	1.4
217.02521	1.5
217.10136	7.0
217.52803	1.5
218.07307	1.4
219.08061	9.3
220.08820	18.4
221.09555	2.4
226.07739	3.9
227.08499	2.6
228.09294	1.2
231.08138	6.1
232.08546	0.8
233.09639	2.8
234.06822	2.1
235.07523	1.9
235.11169	22.0
236.11493	1.1
243.07956	1.0
244.08861	3.3
245.09612	17.1
246.10280	3.2
247.07541	7.3
248.08348	14.2
261.08990	1.4
262.09949	1.1
263.10675	100.0
263.20078	5.1
264.11044	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	263.1067
Annotation	1,6-Dimethoxypyrene
Peak:m/z	Relative Intensity
52.13913	1.0
53.03942	1.6
55.01859	2.6
56.96548	3.2
61.39564	1.0
62.21810	1.0
63.52013	1.0
65.03935	1.0
67.05501	2.8
67.61365	1.0
69.07041	1.7
69.38737	1.1
69.40414	2.1
69.40823	7.0
70.06598	1.8
79.05494	8.2
81.07042	2.4
84.08126	1.3
91.05494	10.2
93.07042	6.2
95.04968	4.6
95.08587	2.6
103.05473	15.8
105.07034	2.6
107.04957	100.0
107.08574	2.3
108.05331	1.3
109.06554	1.3
115.05464	5.5
117.07024	4.1
119.01901	2.2
119.04935	8.1
119.08563	1.8
121.10133	1.7
123.04429	1.2
126.75549	1.0
129.06987	2.2
131.04929	95.4
132.05716	11.3
132.60904	1.1
133.06487	1.9
135.04373	1.2
135.11697	1.4
141.06987	9.5
143.04987	1.1
145.06493	9.9
147.04404	4.6
157.06485	3.0
161.02982	3.3
165.06996	2.2
169.06496	34.2
170.07278	3.7
171.08035	2.1
179.08572	2.6
191.08575	3.0
192.09323	2.2
194.07272	3.7
202.07768	17.0
203.08525	4.9
205.06389	2.1
205.10167	1.3
206.07283	1.3
207.08078	5.4
207.11661	1.6
215.08577	4.7
216.09354	1.6
217.10124	10.3
218.07335	2.7
219.08073	10.2
220.08836	22.1
226.07793	4.8
227.08522	3.2
228.09378	1.0
231.08032	7.0
233.09662	3.8
234.06641	1.3
235.07481	3.2
235.11166	26.2
244.08826	2.9
245.09619	20.5
246.10342	4.3
247.07565	10.6
248.08327	17.6
249.09000	1.4
261.09015	3.7
262.09821	1.9
263.10678	93.6
263.20190	2.9
263.24097	1.8
264.10999	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1064
Annotation	1,6-Dimethoxypyrene
Peak:m/z	Relative Intensity
51.96685	1.2
55.01860	2.0
55.05505	2.4
56.96567	1.7
65.03958	1.3
67.05492	3.5
68.81198	1.4
69.07056	1.4
69.45848	9.8
70.06596	7.4
72.08160	1.8
79.05496	2.4
81.07030	2.7
84.08135	5.1
86.09737	1.6
91.05477	5.8
93.07025	1.4
94.85635	1.4
95.04961	2.6
95.08575	1.4
98.09677	1.5
98.20782	2.3
98.97603	1.5
103.05460	11.8
103.70557	1.1
107.04955	67.6
115.05473	2.9
116.98599	1.8
117.07062	1.9
118.79996	1.2
119.04950	7.7
120.08071	2.2
121.02823	2.0
129.07047	1.5
131.04927	64.8
132.05736	6.5
134.99667	1.5
135.04402	1.8
136.86926	1.3
141.07005	6.2
145.06487	9.3
147.04446	2.5
149.28099	1.4
152.06198	1.3
157.06432	1.6
161.02969	4.3
169.06496	20.0
170.07277	3.4
177.00684	2.0
178.07811	2.0
189.06944	1.5
191.08493	1.7
192.09438	3.1
194.07297	1.7
202.07765	17.0
203.08484	2.3
205.06439	1.7
206.07167	1.6
207.08058	5.4
207.11719	1.5
215.08519	3.2
216.09355	3.1
217.10144	8.6
218.07185	2.2
219.08047	8.2
220.08818	14.4
221.09474	1.8
223.31738	1.2
226.07722	5.9
227.08492	3.1
228.09344	2.3
231.08046	5.4
233.09689	1.9
234.06802	2.4
234.10234	1.3
235.07669	10.3
235.11171	24.3
244.08818	3.9
245.09613	20.7
246.10312	4.8
247.07558	8.1
248.08330	14.3
249.09094	1.9
261.09268	2.3
262.09918	2.6
263.10681	100.0
263.14835	3.0
264.11026	3.9
267.00473	1.1
277.08636	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1065
Annotation	1,6-Dimethoxypyrene
Peak:m/z	Relative Intensity
53.03917	1.1
55.01867	1.6
55.05503	0.8
56.96561	1.0
67.05485	0.8
67.62482	0.5
69.03429	0.7
69.58218	4.1
70.06578	2.4
72.93774	0.6
79.05492	2.5
80.56032	0.5
81.03385	0.6
81.07051	0.6
86.80610	0.5
91.05476	5.9
93.07015	0.9
95.04946	2.1
103.05457	8.1
105.06997	1.2
107.04945	50.0
107.08547	0.6
108.05286	1.7
109.06446	0.8
110.85347	0.6
111.04375	0.6
115.05431	3.5
117.07021	4.1
119.04932	7.8
119.08518	0.7
120.08102	0.7
121.02802	0.9
128.06200	0.7
129.06985	1.7
131.04918	54.4
131.08507	1.0
132.05716	4.8
133.06436	0.9
133.10005	0.7
135.21527	0.6
141.06990	6.6
142.07707	1.1
143.04994	0.6
145.06471	7.3
147.04448	3.0
156.10190	1.2
157.06450	1.5
157.10400	1.4
161.03004	0.7
165.06963	1.1
169.06476	18.6
170.07233	2.8
171.08015	1.1
178.07729	0.9
179.08562	1.5
181.06413	0.8
189.06992	0.9
190.94809	1.8
191.08562	1.5
192.09375	2.8
194.07274	1.5
202.07730	10.0
203.08569	2.2
205.06448	1.5
207.08081	4.5
207.11653	2.2
215.08560	2.9
216.09216	1.2
217.10107	4.9
218.07256	1.4
219.08052	5.5
220.08789	15.4
221.09567	1.9
226.07672	3.2
227.08554	1.9
228.09213	0.8
231.08040	5.7
233.09584	2.2
234.06680	1.8
234.10278	1.1
235.07491	1.6
235.11151	21.1
235.13528	1.2
244.08817	2.8
245.09604	13.3
246.10393	2.9
247.07530	6.5
248.08325	13.0
248.10768	0.5
261.09076	1.9
262.09903	1.9
263.10657	100.0
263.18402	2.4
264.11066	2.1
281.06934	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05016	3.4
60.04541	2.2
67.05531	1.9
68.05020	1.8
69.07056	5.7
69.36311	1.7
69.71491	1.9
70.02972	2.8
70.06586	8.3
71.06032	4.1
72.08149	6.1
74.02459	5.4
74.63484	2.2
76.41121	1.7
79.05493	2.8
81.07047	3.4
84.04498	3.2
84.08131	6.9
86.09715	20.1
86.45520	1.7
89.72881	1.8
91.05482	5.1
95.08597	4.0
101.00861	3.4
102.05541	2.3
103.05439	3.9
106.06552	3.0
107.04981	3.0
117.05760	2.3
118.06561	4.4
119.01911	14.0
120.08102	6.0
129.07010	15.2
129.10313	2.2
130.06516	65.7
130.07477	4.1
131.01898	8.3
131.04892	1.9
131.06850	21.4
132.04462	2.1
132.08057	8.1
134.07892	2.6
137.02983	4.3
142.06497	2.3
143.01880	6.3
143.07297	7.1
144.08093	63.7
145.06572	3.6
145.07513	2.5
145.08502	4.6
146.06024	12.9
147.06393	6.5
148.07573	5.0
154.06520	19.4
155.01857	2.5
155.07033	4.2
156.08096	59.3
157.07483	14.6
157.08719	3.8
158.06038	33.1
158.07959	31.1
159.06378	5.2
159.08804	6.6
160.07616	12.3
160.09528	3.8
161.02962	29.2
161.07133	2.9
161.10553	2.1
162.05508	4.7
169.07626	3.0
170.06096	2.1
171.09183	25.6
172.07594	18.9
172.09509	11.6
173.02985	8.8
173.06950	3.4
173.10710	5.4
174.05492	11.5
174.07524	7.4
175.08690	10.3
176.07050	10.5
176.08995	3.9
182.06036	20.0
182.07761	4.1
184.07587	13.4
184.09174	2.1
185.02937	2.6
185.07088	5.0
186.05589	2.2
186.07486	10.4
188.07040	4.5
189.10104	4.3
190.08632	22.7
190.10588	5.9
191.04031	8.4
199.08688	8.6
199.10591	5.8
200.07066	40.6
200.09027	13.3
201.06786	3.3
201.10133	3.4
202.08731	15.9
202.10393	3.2
203.03931	2.2
203.08197	11.1
204.06564	37.5
204.08504	39.2
210.07468	4.2
217.06296	3.4
217.09729	43.3
217.11674	13.7
218.08005	9.1
221.09283	2.2
226.84451	2.0
228.06496	7.1
228.08499	21.8
245.09109	12.8
245.11246	4.8
245.22620	2.5
246.07529	100.0
246.09654	15.4
247.07300	3.5
248.08342	2.6
263.06158	5.3
263.09766	22.0
263.12271	20.5
263.23825	2.8
264.10098	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	263.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21888	0.6
51.81651	0.6
52.03101	0.6
60.04497	0.9
61.02918	0.7
62.10926	0.6
67.05478	0.6
69.03420	1.1
70.06576	3.4
71.42129	1.2
71.42457	1.1
72.08150	2.2
73.02885	0.8
74.06072	1.7
79.00719	0.6
82.99859	1.4
84.04501	2.4
84.08121	3.0
85.02892	1.3
86.09706	1.4
97.02903	1.8
98.97568	1.0
101.00875	13.4
102.05515	0.8
107.04952	1.9
108.05301	1.0
110.07175	2.9
110.12720	0.7
111.07484	0.9
113.00854	3.4
115.02455	0.8
119.01923	43.7
121.01681	1.8
129.02916	0.7
129.10313	0.8
131.01909	27.7
132.02005	0.7
133.01610	0.9
133.03416	0.9
134.08102	1.1
137.02957	8.0
139.06165	2.6
141.45082	0.8
143.01895	26.3
145.01672	1.2
145.03456	1.7
147.03149	1.0
149.02951	7.8
155.01904	9.6
156.07709	2.0
157.01677	0.9
157.03453	2.7
158.02466	1.1
159.03229	0.9
161.02959	100.0
162.03069	2.7
163.02771	1.1
173.02963	36.9
175.02733	1.8
175.04482	1.1
179.04030	4.3
184.04628	3.4
185.03006	6.4
191.04018	29.9
191.05765	1.6
192.04149	0.8
197.02931	1.7
203.04025	10.1
205.03798	4.1
214.05464	1.0
215.04063	1.7
221.05038	4.9
222.05296	1.0
223.04817	27.9
233.05174	1.0
239.06076	0.9
241.05965	1.0
243.88651	0.6
245.05093	1.1
263.06259	17.4
281.05496	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	263.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91126	0.3
53.64938	0.4
57.72758	0.3
70.63413	1.1
82.99860	1.2
94.06570	2.2
101.00871	9.8
105.00358	0.7
110.56234	0.4
113.00863	1.4
119.01910	30.8
120.02020	0.5
128.52223	0.4
131.01895	10.7
133.03349	0.5
137.02943	4.6
143.01881	26.7
145.03470	0.7
146.44336	0.5
149.02956	2.0
155.01891	5.6
157.03470	1.3
161.02942	100.0
162.03098	1.6
173.02950	17.8
175.04451	0.8
178.03337	0.4
179.04018	4.3
184.04541	2.3
185.02946	2.4
191.03989	13.4
196.04559	1.5
197.02913	0.4
203.03993	25.1
215.03957	0.9
221.05028	4.2
233.04991	1.1
237.10896	0.5
239.06068	1.5
245.05022	0.6
262.94904	0.7
263.06122	19.2
263.08698	1.6
281.07471	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96927	0.7
58.99874	0.7
69.03426	0.8
71.41788	1.3
72.08136	2.4
74.67207	0.8
76.60629	0.8
82.99822	1.6
87.76913	0.7
94.99895	0.9
97.02879	2.0
101.00883	16.6
105.00388	1.1
113.00879	4.7
113.62997	0.7
119.01923	46.0
131.00903	1.6
131.01903	32.3
131.08257	0.7
133.03455	1.6
137.02950	7.4
141.96965	0.7
142.03424	0.9
143.01895	26.9
145.03464	2.1
149.02924	5.5
155.01891	14.3
157.03432	2.5
161.02956	100.0
162.03105	1.6
173.02953	37.3
175.04543	1.3
179.04015	2.8
184.04594	3.5
185.03008	5.7
191.04008	24.8
197.02963	1.4
203.03998	9.8
214.05559	1.0
215.04047	1.1
221.05078	3.0
231.00011	0.7
233.05165	1.6
239.06155	2.4
263.06119	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	262.1801
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
56.40920	0.3
57.07071	0.7
57.39830	0.3
65.71898	0.3
69.03447	0.3
69.32521	2.7
70.06591	0.9
87.04465	28.7
88.07628	0.7
90.95102	0.3
118.06536	12.2
119.07300	0.5
120.08131	0.3
132.08080	4.0
132.10220	1.4
132.32097	0.3
133.08876	2.3
134.09660	1.4
146.09627	3.6
147.10385	0.6
150.11269	1.0
161.11909	0.4
176.14342	76.9
177.14699	0.8
200.71381	0.3
262.18005	100.0
262.23718	6.6
263.18344	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	262.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
66.29844	0.5
69.56480	1.9
69.56904	2.3
80.49210	0.6
93.05781	10.5
94.06563	5.0
104.10323	0.6
106.06539	6.0
120.08081	0.7
134.09601	0.8
145.95566	0.6
152.93877	0.6
220.29431	0.6
262.25290	100.0
263.25644	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	263.0163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40813	2.8
70.05507	7.7
70.05902	6.6
81.19437	3.2
99.31371	3.1
101.00883	10.5
108.05315	5.5
110.07146	3.5
111.07520	4.5
119.01913	38.2
123.46886	3.1
131.01904	16.2
137.02930	6.1
143.01872	27.2
155.01872	5.0
156.07629	5.7
161.02956	100.0
161.04301	5.5
173.02986	23.4
185.02882	5.4
191.03992	14.9
203.03981	14.6
221.05070	7.2
227.72540	3.1
247.22458	3.2
263.01633	14.0
263.06076	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	262.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16337	2.9
55.86481	3.1
56.96565	8.0
57.07067	10.4
63.31644	3.1
67.05499	7.0
67.18281	2.9
69.07056	7.8
70.04076	100.0
71.04977	6.8
79.05483	12.9
79.79609	2.8
79.83816	3.0
81.07051	15.0
91.05463	12.4
93.07045	15.1
95.04922	5.2
95.08604	9.1
98.20779	8.0
98.97591	15.6
99.08072	29.8
104.99234	6.5
105.07030	8.4
107.04935	7.4
107.08568	10.5
109.10139	8.4
116.98617	17.3
119.08528	4.3
121.10109	8.6
124.93258	3.0
133.10158	3.9
134.99684	17.0
135.11720	6.5
146.97424	5.8
158.99637	10.5
177.00699	13.3
192.93748	20.2
195.01805	3.7
200.20239	4.2
224.01181	4.2
244.04243	3.2
262.14413	12.0
262.18225	6.8
262.21411	6.2
262.23752	12.3
262.26471	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	262.18
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
54.36138	0.2
54.72751	0.2
57.07055	0.6
69.03407	0.3
70.06592	2.3
70.62250	0.9
71.08653	0.6
87.04462	31.1
88.07627	2.0
107.38322	0.3
114.09160	0.7
118.06532	11.5
119.07320	0.6
122.45400	0.2
122.92017	0.2
124.59533	0.3
127.51826	0.2
132.08069	4.7
132.10181	2.5
133.08861	2.4
134.09636	0.8
139.33937	0.3
146.09653	4.2
147.10368	0.5
150.11241	2.7
160.11237	0.4
161.11981	0.4
176.14336	73.3
177.14665	1.1
192.31458	0.3
218.11591	0.4
218.21158	0.7
229.61392	0.2
240.20769	0.3
262.17999	100.0
262.23734	13.9
263.18390	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	262.18
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14074	0.4
64.20973	0.4
70.06568	0.4
70.78425	1.2
71.93358	0.5
79.05225	0.4
87.04462	31.2
103.50591	0.4
118.06534	14.4
119.07321	0.7
125.80926	0.4
132.08037	2.8
133.08861	1.6
134.09612	1.0
146.09644	2.8
148.11200	0.7
150.53857	0.4
161.11990	0.5
176.14334	81.5
177.14702	0.9
262.17999	100.0
263.18326	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85090	0.7
56.05022	0.9
56.96564	6.1
60.04519	1.8
69.03426	1.7
70.06578	3.1
71.04981	0.8
71.28867	2.1
72.08129	1.7
78.12934	0.8
79.05485	1.4
80.05031	0.8
80.71108	0.8
81.03367	1.1
81.38791	0.8
82.05319	1.0
83.06104	5.7
84.04534	1.0
84.08125	3.5
86.09702	1.2
86.99305	0.8
87.08106	1.4
93.04492	3.8
95.04961	1.3
95.06085	5.8
97.02879	1.4
98.06042	1.1
98.97574	2.4
100.07594	1.4
107.04946	90.7
110.07156	100.0
114.05508	1.1
116.98579	1.1
119.01913	4.3
120.02003	0.8
124.07552	1.0
127.35821	0.7
131.01909	1.2
134.99670	1.3
143.01886	1.5
148.02785	1.0
149.01225	1.3
156.07675	81.4
157.02956	0.9
161.02924	8.0
166.12303	0.9
173.02954	1.5
174.03168	1.0
181.01767	1.0
203.04015	2.2
221.05038	2.9
222.05199	11.6
223.04785	1.7
230.13835	2.6
262.04791	1.2
262.12274	5.4
262.16440	8.2
280.05899	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05020	2.2
56.10435	1.6
58.42123	1.7
70.06600	2.6
70.10629	1.7
71.48773	2.7
74.02440	4.6
78.55827	1.8
83.31171	1.8
84.08126	3.6
91.05506	2.3
115.05450	2.9
117.05759	8.2
118.06611	3.8
120.08110	5.9
129.06995	3.1
130.06520	67.0
131.07274	7.3
132.04456	3.1
132.06848	2.0
132.08076	6.1
133.05214	3.0
133.07613	8.4
134.06044	5.7
142.06615	2.8
142.72194	1.9
143.07259	9.5
144.08080	19.5
145.07613	5.6
146.06010	22.9
147.04390	6.2
147.09166	8.0
148.07585	7.2
154.06544	15.3
155.07249	2.5
156.06805	5.3
156.08095	16.9
157.07605	100.0
158.06006	19.9
158.08377	16.6
159.06718	3.1
159.09166	12.1
160.07550	6.2
161.02969	3.3
161.07115	6.2
162.05478	3.5
169.07619	5.4
170.08397	2.8
171.09196	25.5
172.07582	8.6
173.07108	19.0
174.05519	4.2
175.08667	11.5
181.07588	11.5
182.05965	9.2
182.08282	2.5
183.09230	7.0
184.07602	3.2
185.07097	41.2
187.08679	4.6
188.07074	3.2
188.09479	4.3
189.10272	13.4
190.08623	2.4
198.10291	20.2
199.08659	29.1
200.07106	7.4
201.10236	9.2
202.04996	2.7
203.08157	93.3
204.06602	4.2
204.08472	2.7
209.07126	7.8
216.11362	34.7
217.09772	10.8
217.11592	2.7
219.07645	2.9
227.08148	38.5
244.10881	8.9
245.09207	42.4
246.07594	4.7
262.08868	4.0
262.11850	50.1
262.14325	2.4
265.54919	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	262.1183
Annotation	Glycyltryptophan
Peak:m/z	Relative Intensity
54.25727	1.7
58.43658	1.8
61.95367	1.7
68.86683	1.6
69.47559	14.3
70.06592	3.5
72.08148	1.7
74.02429	4.3
84.08139	2.7
91.05512	2.4
94.78154	1.6
97.62357	1.5
98.20788	4.1
113.80096	1.8
115.05470	2.5
117.05730	8.8
118.06572	3.2
119.04903	3.2
120.08115	4.9
129.06970	5.0
130.06522	65.8
131.07288	5.1
132.04449	2.6
132.06847	1.7
132.08087	5.9
133.07608	9.7
134.06065	4.1
142.06499	3.7
143.07335	5.7
144.08095	20.2
145.07602	7.7
146.05991	17.2
147.04440	9.3
147.09164	4.2
148.07590	6.5
154.06511	13.1
156.06783	5.0
156.08098	13.8
157.07603	100.0
158.06039	15.4
158.08372	16.7
159.06786	2.1
159.09151	8.3
160.07584	4.5
161.02914	2.4
161.07138	5.2
162.05513	3.3
167.06004	1.9
169.07565	4.3
170.06041	2.0
171.09164	28.7
172.07533	10.9
173.07095	17.9
174.05528	3.9
174.07585	1.8
175.08659	13.5
181.07608	8.7
182.06036	8.1
182.08415	3.0
183.09158	7.8
184.07520	4.2
185.07085	39.2
186.05580	2.8
186.63422	1.8
187.08681	5.0
188.09486	2.9
189.10199	11.7
190.08653	2.9
198.10274	13.9
199.08669	24.5
200.07089	7.1
201.10248	8.5
203.08151	81.9
204.06598	4.8
209.07146	7.8
216.06694	2.1
216.11330	31.7
217.09799	4.7
227.08125	33.1
244.10725	9.0
245.09213	36.2
246.07433	2.1
262.08969	3.5
262.11893	42.4
262.14526	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	262.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
55.01872	2.3
55.05509	55.7
56.05023	2.7
57.98801	1.0
58.99583	51.1
61.01144	2.8
62.89212	0.7
64.39566	0.7
67.05497	2.5
69.79402	3.3
70.06590	3.6
71.04989	1.2
72.08151	2.1
72.93779	1.3
73.01125	2.9
74.00665	2.5
76.02216	1.8
76.03996	7.2
79.05483	2.0
81.03421	1.2
81.07054	9.6
83.08615	39.4
84.04495	1.3
84.08157	3.5
85.01122	7.9
85.02884	0.9
86.00129	1.5
86.00648	28.5
86.09701	1.7
86.99049	30.9
87.02681	6.3
88.02213	9.5
88.03980	2.7
91.05473	2.2
93.07034	1.4
95.08611	4.4
97.08925	0.9
98.09697	5.2
98.20821	1.3
100.02177	0.8
101.04245	1.4
101.09641	1.0
103.05464	0.9
105.00077	1.2
105.07012	1.7
107.04935	3.0
113.04230	10.8
116.01672	100.0
116.07076	1.3
120.01183	0.9
120.08121	2.4
122.02752	1.0
122.09646	3.2
123.08059	1.4
129.07326	7.4
129.10269	1.3
130.06772	0.9
131.01640	1.9
132.01143	36.4
139.05756	2.3
144.01138	44.4
146.02716	0.8
147.11279	0.7
150.07828	0.9
156.08420	48.8
159.04752	22.3
162.02194	78.1
164.07027	1.1
192.03300	1.0
198.09464	15.0
202.08961	93.8
203.09108	0.9
216.10527	61.3
230.14001	7.6
235.07564	0.9
244.09995	3.0
262.11063	56.1
262.14148	2.4
263.10760	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	262.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
55.01872	2.7
55.05512	64.6
56.05024	4.4
56.96551	1.3
57.03435	2.0
57.98804	2.0
58.02975	1.0
58.99588	50.5
60.00380	1.0
60.08125	1.1
61.01138	2.1
62.06091	1.4
67.05505	4.4
68.05040	1.0
68.76127	1.0
69.03440	1.2
69.07063	1.7
70.06597	10.3
71.05002	1.2
71.58864	1.3
72.04526	2.0
72.08147	6.8
73.01139	4.1
74.00665	3.2
74.55508	0.9
76.02228	2.6
76.03996	7.9
79.05502	5.0
80.05017	1.0
81.03422	1.5
81.07063	11.5
82.06577	1.3
83.08620	36.9
84.04500	2.4
84.08149	9.5
85.01125	8.4
85.02904	1.8
86.00655	34.1
86.09699	8.9
86.99052	31.4
87.02702	8.9
87.05617	1.1
88.02218	10.3
88.04003	3.0
91.05473	8.3
93.07040	2.9
95.08616	6.6
96.08134	1.4
97.10178	1.1
98.09697	7.2
100.02260	1.2
101.04240	1.8
102.05488	1.3
103.05453	2.6
104.10734	2.1
105.00098	1.4
105.06991	1.4
107.04978	5.7
110.09690	1.7
110.98436	1.1
112.11269	1.3
113.04230	11.8
114.12801	5.0
116.01680	100.0
116.07104	5.1
120.08113	17.4
121.06532	1.0
122.09673	3.4
123.08045	2.4
124.99977	2.7
125.58897	1.0
127.05816	1.3
129.07346	6.2
129.10249	3.2
130.08611	1.2
131.01799	1.2
131.04953	2.9
132.01157	43.5
134.09616	1.8
136.07532	1.6
139.05792	1.3
144.01144	42.2
146.02782	1.4
156.08435	51.0
159.04764	24.7
162.02205	63.5
169.06531	1.5
183.12592	1.8
184.07329	3.6
185.06468	1.5
198.09480	15.6
202.08984	95.8
203.09247	2.1
207.08107	1.1
216.10541	66.5
217.10318	1.9
217.38683	1.0
218.13957	1.2
220.08876	2.9
226.07970	1.1
231.08054	1.6
233.08322	1.5
234.09271	1.9
235.07562	1.9
235.11171	2.4
240.09872	1.5
244.10034	2.7
245.09782	6.2
247.07643	2.7
248.08334	3.4
258.91037	1.0
262.08755	3.4
262.11121	41.2
262.14337	5.0
262.18243	5.3
263.10693	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	262.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
55.01869	0.5
55.05510	59.4
57.98798	0.8
58.99584	41.9
59.41134	0.4
61.01157	1.7
69.48399	3.7
70.06569	0.8
71.04995	0.8
73.01144	4.6
73.11192	0.4
76.03999	7.6
81.07069	0.5
82.24159	0.5
83.08616	34.1
84.08194	0.6
86.99053	31.1
87.04451	0.4
87.92817	0.6
88.02212	10.1
98.20794	1.1
101.09649	0.9
107.04990	1.1
116.01674	100.0
120.08134	1.0
130.05025	0.9
144.01141	38.6
145.01456	0.6
150.07727	1.5
159.08347	0.8
162.02197	68.2
203.17140	0.5
222.05191	2.8
223.05017	0.6
230.13980	7.5
262.11191	1.1
262.14142	0.8
262.16608	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
55.05498	16.4
57.16994	7.1
67.05492	36.5
68.91388	7.4
69.07070	10.0
74.46551	7.4
79.05486	46.3
81.07043	42.1
82.10612	7.0
84.37733	7.0
91.05458	35.8
93.06496	9.8
93.07026	67.2
95.08586	35.4
97.06519	9.4
99.86870	7.7
105.07005	28.9
107.08576	38.5
109.10121	14.5
113.09625	7.5
115.07605	7.2
117.07043	10.2
119.08543	16.5
121.10126	44.4
123.11707	7.6
131.08546	30.9
133.10139	17.3
135.11681	26.5
136.48790	8.2
145.10107	30.8
147.11670	24.0
149.13177	19.3
159.11644	17.2
161.13205	16.8
163.14786	13.5
173.13245	10.2
196.42290	7.4
226.00502	8.8
238.00700	8.5
243.21048	73.1
261.22104	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.4
55.01885	1.7
55.05508	17.3
56.86066	1.7
57.03437	1.9
57.07077	12.4
66.45654	1.6
67.02857	1.7
67.05505	54.3
69.07066	18.8
71.03375	4.3
71.08595	2.5
74.96580	1.6
79.05493	71.4
81.07056	59.9
81.18966	1.8
83.04961	1.9
83.08609	13.7
85.06547	10.0
85.10155	2.6
91.05482	45.2
93.07044	89.1
95.04990	8.5
95.08603	34.5
97.06519	7.7
97.10168	3.8
99.08076	7.9
105.07029	25.3
107.08591	53.3
109.06525	3.5
109.10155	16.1
111.08054	5.5
111.11798	1.9
113.09638	4.0
117.07007	9.9
119.08591	20.3
121.10149	50.5
123.11720	7.0
125.09651	3.4
131.08563	23.6
133.10136	16.6
135.08066	2.6
135.11697	32.1
137.09621	4.1
145.10121	20.0
147.11707	15.9
149.09656	4.8
149.13269	25.5
159.11684	15.2
161.13263	15.0
163.11166	2.5
163.14803	20.7
165.12764	3.0
173.13280	18.3
175.14813	6.5
177.16373	9.5
179.14444	2.3
187.14856	10.0
201.16417	4.2
215.17932	2.6
219.17592	2.2
233.22554	2.2
243.21078	51.7
261.13007	2.2
261.22141	100.0
262.14359	4.4
262.22421	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	261.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.7
55.05512	18.5
57.03431	1.8
57.07058	6.8
65.03898	2.4
67.05505	56.3
69.07072	17.8
71.04983	3.9
71.08612	3.0
71.20195	3.8
79.05495	78.6
81.06584	3.1
81.07058	62.7
83.08621	9.3
85.06522	4.7
91.05482	40.5
93.07044	100.0
95.04944	8.2
95.08607	54.7
97.06527	4.8
97.10159	4.1
99.08070	3.9
105.04467	1.9
105.07033	26.8
107.08598	57.4
109.06534	3.9
109.10159	18.7
111.08055	4.1
113.09636	2.1
114.52447	1.7
117.07045	10.3
119.07802	1.9
119.08595	20.6
121.10144	63.6
123.08099	2.3
123.11707	6.9
131.08586	20.1
133.10129	20.8
135.11697	42.0
137.09641	2.9
137.13266	1.8
145.10130	21.3
145.31711	1.8
147.11687	18.3
149.13260	34.8
159.11682	14.2
161.13255	15.6
163.14816	28.7
165.12836	1.7
173.13266	17.5
175.14810	6.8
177.16400	8.2
179.14262	2.4
187.14810	11.6
201.16347	2.8
201.85303	1.5
215.18015	2.5
243.21098	41.3
261.22147	97.4
262.22354	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02374	2.4
53.03944	5.9
55.01841	2.0
55.05503	18.5
57.03433	2.0
57.07067	6.1
65.03922	3.2
66.69344	1.7
67.05504	61.9
69.07066	16.8
69.70855	7.7
69.71260	4.6
71.04971	2.0
71.08624	3.1
75.60188	1.6
79.05493	80.2
81.07054	64.4
83.08622	9.5
85.06514	5.2
91.05477	41.2
91.56994	1.7
93.07043	100.0
95.04980	10.2
95.08605	45.9
97.06527	6.5
97.10160	4.2
99.08081	4.6
105.07029	25.4
107.08591	62.6
109.06491	3.1
109.10162	19.3
111.08087	4.0
117.07034	9.4
119.08572	20.6
121.10139	52.4
123.11697	6.8
125.09570	2.6
129.61453	1.9
131.08566	17.3
133.10129	20.1
135.11690	38.1
137.09644	2.7
137.13272	2.3
145.10129	16.7
147.11691	13.2
149.12180	3.0
149.13263	33.2
151.14799	2.1
159.11719	12.2
161.13246	15.8
163.14818	18.9
165.12820	1.8
173.13307	13.6
175.14818	4.1
177.16377	3.9
187.14847	8.6
191.46780	1.9
201.16412	2.4
214.49564	1.8
243.21114	32.5
261.22128	74.0
262.22720	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2211
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03925	3.9
55.01862	2.2
55.05258	1.3
55.05505	17.0
56.38224	0.8
57.03418	1.9
57.07070	7.5
58.10345	0.8
62.79018	1.0
65.03923	3.0
67.05498	50.1
69.06720	1.3
69.07066	18.8
69.53465	0.8
71.04976	2.5
71.08612	4.0
71.60049	1.5
76.26141	0.9
79.05485	75.2
81.07046	57.7
83.04979	1.7
83.08605	8.1
85.06526	5.6
85.10193	1.3
91.05470	41.2
93.07033	100.0
95.04958	9.0
95.08597	40.4
97.06519	5.1
97.10146	4.6
99.08068	4.2
105.07019	27.4
105.70138	0.9
107.04954	2.1
107.08580	59.9
109.06497	3.9
109.10141	14.6
111.08057	3.1
113.09605	2.4
117.07008	10.8
119.06055	1.0
119.08565	21.7
119.18723	0.8
121.06567	1.3
121.10129	43.8
123.08064	2.1
123.11712	4.8
125.09602	1.5
129.06952	1.8
130.07822	0.9
131.08557	23.4
132.08852	1.0
133.10110	17.4
135.08018	3.5
135.10667	1.8
135.11676	31.7
137.09605	1.9
137.13246	1.5
143.08623	0.9
145.10110	18.8
147.11670	13.6
149.09627	5.8
149.13242	28.4
151.14818	1.2
153.12831	1.1
156.31169	0.9
157.10117	1.2
159.11674	11.8
161.01089	0.9
161.13258	10.3
163.11203	2.2
163.13428	1.0
163.14798	17.5
164.45296	1.1
165.12706	1.6
171.11639	1.0
173.13242	11.9
175.14848	4.4
177.12698	1.1
177.16347	4.7
179.14394	1.7
187.14836	7.5
189.16278	1.3
192.93733	1.3
201.16428	4.1
205.15910	1.2
207.76424	0.9
215.17892	3.2
219.17404	2.0
233.22563	2.5
243.21063	31.4
261.18573	8.3
261.22104	89.1
262.22467	1.2
278.96353	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03932	4.2
55.05510	16.6
57.03424	1.8
57.07069	3.7
60.14352	1.8
61.16994	1.3
65.03922	2.2
67.05503	53.2
69.03452	1.8
69.07066	17.8
70.09466	5.0
71.04989	3.3
71.08618	1.6
79.05492	72.4
81.03398	1.5
81.07054	59.9
83.05001	2.0
83.08598	8.5
85.06509	4.3
91.04900	2.2
91.05473	34.9
93.07043	89.8
95.04975	8.4
95.08610	44.5
97.06506	4.3
97.10154	3.7
99.08067	3.5
105.07021	26.4
107.08588	55.5
109.06513	6.1
109.10152	16.6
111.08057	4.1
117.07030	8.0
119.08581	17.4
121.06425	1.6
121.10137	47.3
123.08053	5.1
123.11726	4.1
131.08571	15.7
133.10123	15.4
135.08032	2.5
135.11691	41.7
137.09605	2.7
137.13281	2.7
137.22476	1.5
145.10114	18.6
147.11691	14.3
149.09544	1.6
149.13258	33.8
151.11119	2.1
152.14743	1.4
157.10190	1.8
159.11711	10.4
161.13229	14.2
163.14803	22.8
165.12672	1.8
173.13252	12.8
175.14821	6.0
177.16396	5.7
179.14320	6.2
187.14841	9.7
189.16374	1.7
201.16356	2.8
205.15831	2.1
215.17938	1.7
221.34731	1.7
242.67059	1.6
243.21077	32.9
261.15060	3.2
261.22131	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03928	3.2
55.01859	1.2
55.05506	13.3
56.96557	0.9
57.03417	1.3
57.07071	5.3
65.03905	1.7
67.05502	45.7
69.07066	13.8
71.04984	2.4
71.08614	1.9
71.59770	1.2
77.03880	1.7
78.69817	1.0
79.05489	64.0
81.03409	1.3
81.07051	51.7
83.04962	1.1
83.08603	8.1
85.06528	2.7
86.95488	1.0
91.05476	30.8
93.07038	79.8
95.04948	6.4
95.08603	39.2
97.06520	2.8
97.10146	3.1
98.98463	1.8
99.08082	3.6
105.07023	21.7
107.08585	50.6
109.06506	2.7
109.10149	15.2
111.08073	3.2
115.20475	1.2
117.07005	6.7
119.08575	15.6
121.06522	1.1
121.10138	44.6
123.08035	2.0
123.11691	5.8
125.09640	1.2
131.08562	15.2
133.10112	15.1
135.08002	0.9
135.10670	1.8
135.11688	35.9
137.09605	1.9
137.13214	1.3
145.10124	17.1
147.11684	13.1
149.09607	1.9
149.13252	27.5
149.21767	0.9
157.10040	1.1
159.11685	11.4
161.13255	12.5
163.14812	19.2
165.12790	1.8
171.11696	1.1
173.13260	9.7
175.14731	4.8
177.16389	4.7
184.90010	0.9
185.16321	1.0
187.14796	7.1
191.14330	1.2
192.93716	1.8
201.16347	2.9
205.15947	0.9
215.17966	2.4
243.21072	33.0
261.03937	1.3
261.22122	100.0
262.22366	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	5-(1-oxopropan-2-yl)isolongifol-5-ene
Peak:m/z	Relative Intensity
66.92575	26.7
67.05495	58.3
71.58244	40.5
79.05489	64.1
81.07030	76.5
91.05461	28.5
93.07049	100.0
95.08611	56.5
105.07057	45.1
107.08592	67.1
121.10110	50.7
131.08575	29.6
145.10187	36.5
163.90958	30.9
234.91866	28.7
243.21016	39.0
261.22159	92.0
262.14438	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2211
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
50.01820	0.8
53.03932	2.9
55.01859	1.1
55.05261	1.1
55.05507	16.8
56.96535	0.9
57.03423	2.4
57.07058	4.4
57.41748	0.9
65.03919	2.4
67.05499	51.3
69.06711	1.3
69.07063	16.0
69.37388	8.4
71.04978	3.4
71.08618	1.9
75.04325	0.7
77.03941	0.8
79.05487	70.9
81.03413	0.9
81.07049	53.6
83.04962	2.1
83.08615	8.7
85.06528	5.1
91.05472	37.1
93.07034	93.8
95.04965	7.2
95.08598	41.9
97.06521	3.1
97.10165	2.6
99.08077	4.2
105.04510	1.5
105.06297	0.9
105.07019	23.5
107.08585	56.1
109.06492	2.9
109.10146	19.5
111.08073	3.9
111.11753	1.0
113.09625	1.3
116.06228	1.0
117.06998	9.3
119.08569	21.7
121.06483	1.1
121.10133	50.8
123.08071	3.1
123.11682	5.6
125.09614	1.0
129.07014	1.2
131.08551	17.9
133.10124	15.8
133.41589	0.9
135.11678	38.6
137.09605	2.0
137.13237	1.6
139.11176	1.3
145.10114	19.9
147.11682	12.4
149.09657	1.5
149.13239	32.3
151.11186	1.6
151.14825	1.0
159.11678	10.9
161.13246	13.4
163.14815	20.8
165.12700	2.1
173.13245	10.8
175.14787	4.9
177.12799	1.1
177.16402	4.8
179.14296	1.6
187.14830	7.5
189.16306	1.3
192.93776	1.5
201.16364	4.1
205.15977	1.3
215.17950	2.0
217.19518	1.0
219.17354	1.0
224.48116	0.7
233.22641	1.4
238.60228	0.9
243.21051	31.3
261.22119	100.0
262.22397	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.6
55.01894	1.6
55.05272	1.6
55.05513	17.5
57.03453	1.7
57.07063	5.8
57.12562	1.6
66.40965	1.6
67.02234	1.6
67.05505	53.1
69.07072	15.1
69.45123	15.5
71.04992	3.2
71.08622	2.0
72.92363	1.8
78.63431	1.4
79.05493	63.5
79.78941	1.5
81.06583	2.7
81.07059	52.3
81.35999	1.5
83.08625	10.1
85.06522	3.2
91.05475	38.6
93.07044	87.9
95.04967	6.3
95.08611	41.1
97.06519	4.5
97.10177	3.2
99.08070	2.4
105.04529	1.7
105.07043	19.0
107.04998	1.5
107.08591	57.3
109.06501	4.5
109.10152	16.4
111.08085	3.2
117.07012	5.6
119.08578	16.2
121.10140	47.3
123.11716	3.1
131.08586	18.8
133.10136	15.1
135.08102	2.1
135.11691	42.0
137.09607	2.4
137.13332	2.3
145.10127	17.9
147.11684	13.5
149.09653	5.5
149.13254	23.9
159.11697	14.1
161.13255	13.3
163.14832	15.9
173.13248	12.7
175.14854	4.4
177.16371	4.5
187.14842	8.0
201.16368	2.7
215.17947	1.9
233.22559	2.7
243.21104	25.2
251.00954	1.6
261.22134	100.0
262.22614	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.6
53.48959	1.4
55.05513	15.8
57.03442	2.7
57.07075	5.1
60.41312	1.4
65.03969	1.6
67.05505	50.1
69.07072	14.6
69.87225	9.1
71.04991	4.0
71.08635	1.5
79.05499	70.4
81.07062	62.0
83.08613	9.7
85.06548	4.5
86.03289	1.7
91.05486	35.4
91.05996	1.3
93.07048	90.7
95.04961	7.9
95.08608	45.1
97.06540	3.1
97.10188	2.0
99.08096	6.3
105.07038	25.4
107.08598	62.4
109.06517	4.2
109.10163	17.2
111.08096	2.7
113.09637	3.1
114.21653	1.6
115.84555	1.4
117.07004	10.6
119.08585	18.3
121.09322	3.3
121.10151	52.3
123.08068	1.8
123.11709	6.3
131.08575	18.5
133.10135	13.9
134.22054	1.4
135.10686	3.0
135.11699	39.7
137.09616	1.8
137.13252	2.5
145.10120	16.2
147.11693	13.0
149.13275	31.0
153.12773	1.8
159.11708	12.9
161.13269	17.1
161.47415	1.7
163.14786	20.9
165.12740	2.0
173.13304	12.2
175.14827	5.3
177.16412	5.5
187.14897	10.0
189.16438	1.6
201.16371	4.1
242.62782	1.5
243.21103	34.4
247.59465	1.8
261.22162	100.0
261.77209	1.6
262.22415	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	261.1709
Annotation	2-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-methyl-2H-pyridin-3-yl]ethanol
Peak:m/z	Relative Intensity
51.03443	0.4
53.03945	0.4
55.05485	1.6
56.96559	1.2
57.07074	6.4
67.05168	0.6
67.05501	7.9
69.07069	2.7
69.31046	5.4
79.05485	10.3
81.07056	8.8
83.08603	1.2
85.06537	1.2
91.05475	4.8
93.07037	11.5
95.04967	0.9
95.08609	6.4
96.87242	0.5
97.06525	0.8
99.08082	0.6
105.07019	3.4
105.70776	0.5
107.08590	8.2
109.06491	1.1
109.10146	2.2
109.38432	0.6
116.18891	0.5
117.07003	1.0
118.06571	0.8
119.08599	3.0
121.10145	6.3
123.11717	0.7
127.79483	0.6
131.08565	2.2
133.10110	2.7
135.08008	0.7
135.11688	4.4
145.06314	0.7
145.10143	2.5
147.11618	1.5
149.13229	3.9
158.07083	1.1
159.07930	10.1
159.11678	1.4
160.08685	1.0
161.10779	1.1
161.13243	1.6
163.14828	2.5
172.07422	1.2
172.08733	1.6
173.09492	0.9
173.13260	1.2
175.12331	1.1
176.11832	1.8
176.13162	1.1
177.11269	0.7
177.12642	1.3
177.16319	0.7
185.08267	0.8
186.08929	2.4
186.10327	12.4
187.11116	1.2
187.14737	0.6
189.11250	2.6
190.13379	3.5
192.14899	3.4
199.09818	1.0
200.11824	1.8
201.12602	12.6
202.13303	1.9
203.12872	2.5
204.13686	4.9
213.11279	1.5
216.14949	3.5
217.14558	1.5
218.15210	4.2
219.16042	41.0
220.16367	1.1
227.12901	3.3
228.13724	7.6
243.16040	100.0
243.21089	4.8
244.16400	2.1
261.17096	85.9
261.21869	15.6
262.17508	1.7
279.12796	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1444
Annotation	H-Leu-Glu-OH
Peak:m/z	Relative Intensity
51.25684	0.4
55.01863	0.5
56.05027	1.6
56.96567	0.9
57.03427	0.3
57.07059	0.4
58.06598	0.7
60.04523	1.1
60.05640	0.4
61.02919	0.4
67.05511	0.5
69.03442	0.8
69.07059	2.2
70.06590	4.1
71.05018	0.7
71.57243	0.7
72.08156	2.5
74.06073	0.4
75.60397	0.4
81.03429	1.0
83.06107	0.8
84.04506	10.7
84.08144	15.2
84.96017	0.6
85.01131	0.4
85.02905	1.7
85.04819	0.5
85.08475	4.8
86.06050	0.4
86.09705	100.0
87.10046	1.3
88.03996	0.5
91.05498	0.4
93.07047	0.3
95.06074	0.5
97.02903	1.9
97.06512	0.4
98.02363	0.4
98.06026	0.4
98.97581	1.3
99.04459	1.2
102.03757	0.5
102.05540	4.3
104.05321	0.3
107.04963	2.5
109.02873	0.7
110.07159	3.1
112.11255	0.5
116.07111	0.5
116.98618	1.2
119.01937	1.7
119.21329	0.3
120.08099	0.6
121.01691	0.4
127.03927	0.6
128.98662	0.5
129.10262	1.8
129.13857	0.4
130.04996	4.4
130.08647	1.1
130.10606	0.9
131.04953	0.8
131.08978	0.5
132.10220	1.6
133.88255	0.4
134.99615	0.5
143.01961	0.4
147.11319	1.1
148.06046	17.4
148.11597	0.5
155.08247	0.4
156.07683	1.9
157.03546	0.4
158.99629	0.4
159.43062	0.3
160.07553	0.5
161.01176	0.4
161.02959	0.4
173.02974	0.8
177.00687	1.0
189.00719	0.4
191.02309	0.5
197.12987	0.6
201.02417	0.7
203.04022	0.4
211.97388	0.4
215.14021	0.4
219.01717	0.6
219.03595	1.7
221.05061	2.9
237.02759	0.4
243.13486	1.2
244.17360	0.9
261.05930	1.8
261.12158	0.8
261.14490	4.8
261.20221	1.8
262.15088	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	1.3
56.96556	1.6
57.05795	0.4
58.06602	0.6
59.07367	0.6
60.04517	0.8
69.03432	2.3
69.07061	1.6
70.06583	3.7
71.04973	1.1
71.07852	1.1
72.08154	2.4
73.39017	0.4
77.71933	0.4
78.36792	0.4
81.03414	1.0
83.06100	0.8
84.04506	9.7
84.08141	17.2
85.01136	0.9
85.02911	0.9
85.04812	0.5
85.07899	0.8
85.08472	6.4
86.09705	100.0
87.10053	1.5
88.04003	0.4
95.06099	0.6
97.02891	2.9
97.06542	0.6
98.09702	0.5
98.97592	1.3
99.04446	1.2
101.13842	0.4
102.03731	0.4
102.05540	3.6
107.04941	3.2
109.02919	1.1
110.07163	3.4
112.11263	0.7
116.98627	1.6
119.01889	1.1
120.08050	0.6
121.61508	0.8
127.03915	0.7
128.98636	0.6
129.10262	2.6
130.05000	4.0
130.08672	1.1
130.10558	1.2
131.36089	0.4
132.10197	1.1
134.99652	0.5
137.03044	0.6
146.99715	0.6
147.11261	0.8
148.06052	19.1
148.11629	1.0
156.07666	2.3
158.99687	1.0
160.07547	0.5
173.03000	1.0
175.11885	0.6
177.00650	0.5
185.03011	0.6
191.02246	0.7
197.12856	1.1
198.05708	0.5
203.03979	0.9
215.14008	0.5
217.34848	0.5
219.01698	0.9
219.03595	2.3
221.05061	6.2
237.02859	1.0
243.13428	0.6
244.17250	0.7
261.05652	1.6
261.12106	1.0
261.14511	6.3
261.20230	2.2
261.22592	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1444
Annotation	gamma-Glu-Ile
Peak:m/z	Relative Intensity
54.67943	0.7
56.05007	3.1
56.96558	1.5
58.13724	0.7
65.91875	0.7
69.07019	1.2
69.97823	4.2
70.06576	2.1
71.13853	0.7
72.08095	1.0
82.06577	0.7
84.04496	63.9
84.08148	4.4
85.02885	1.2
86.06023	3.4
86.09698	100.0
96.04454	1.1
98.21384	1.3
98.97557	1.1
99.05534	1.2
102.05517	1.8
107.04924	1.6
108.61599	0.7
114.05502	1.4
120.08022	1.0
129.10201	1.0
130.04985	11.0
132.10194	49.3
134.99617	0.9
142.05009	5.0
148.06062	1.4
149.53461	0.8
152.10609	2.1
169.08536	2.4
170.06029	1.3
170.11664	1.9
188.07031	0.9
196.03250	0.8
198.09697	0.9
198.11235	11.8
209.86473	0.8
219.01637	0.9
221.04916	1.4
236.36052	0.9
244.11792	11.1
251.47815	0.8
261.12979	96.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66317	1.0
53.03934	1.3
53.60579	1.1
55.01878	5.5
55.05272	1.8
55.05514	22.2
56.05022	3.7
56.96553	2.4
57.07087	8.4
58.99589	19.8
61.01163	6.7
67.05492	4.6
68.05042	2.7
69.07057	4.5
70.01180	1.0
70.02963	2.2
70.06590	3.9
70.25478	3.0
72.08133	1.7
73.01143	9.8
74.00672	9.3
76.02213	4.0
76.04002	2.7
77.69829	1.0
79.05489	11.0
81.03404	3.9
81.07065	28.4
81.87816	1.1
82.06592	2.7
83.08629	16.9
84.04499	8.4
85.01131	9.1
85.02907	2.0
86.99049	9.0
87.02682	1.5
88.02219	8.4
91.05486	6.1
93.07034	2.7
95.08592	4.3
96.08122	1.4
98.09685	4.9
98.97553	2.1
98.98473	4.4
99.02682	8.2
100.11258	46.1
105.07025	4.8
107.08603	6.7
108.76759	1.1
109.02877	2.7
109.06526	1.5
112.03959	15.0
112.11243	13.7
115.05808	14.9
116.01681	28.2
116.05327	23.8
116.98603	2.6
119.08583	2.4
124.11271	5.6
127.03859	1.2
130.04993	14.2
131.08575	1.6
133.10126	1.2
141.07338	17.5
143.08803	1.1
144.01158	6.5
145.10089	2.0
158.09993	100.0
158.11755	52.1
158.97615	6.2
159.11731	1.0
162.02228	16.4
171.97743	1.3
174.02232	2.2
189.06921	1.4
190.07741	2.9
201.39444	1.1
202.07683	1.2
205.10156	1.8
215.08640	6.0
215.12157	1.7
216.40184	1.2
218.07231	4.0
229.93669	1.2
232.09004	1.7
233.09581	4.4
243.08069	3.3
244.10062	36.4
261.03613	1.6
261.09131	20.5
261.12692	45.1
261.18390	6.5
261.22137	1.2
262.12878	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13438	1.1
55.01858	1.3
55.05512	10.9
56.05030	4.5
56.96561	4.0
57.03416	1.2
57.07067	4.5
58.99594	6.3
59.04994	1.7
60.04524	1.0
60.87300	0.9
61.01155	13.9
62.35268	0.9
67.05496	5.0
69.07069	1.7
69.58601	2.5
69.59007	4.3
70.02934	2.6
70.06591	8.7
70.19186	1.1
72.04515	49.4
72.08163	8.9
73.01130	1.3
73.02914	2.9
73.53904	1.0
78.03784	4.0
79.05485	1.2
79.16611	0.9
81.03410	1.6
81.07047	2.7
83.06110	0.9
83.08617	5.7
84.04517	2.3
84.08140	12.7
84.96038	2.0
85.06552	8.3
85.08472	2.1
86.09706	11.3
86.99059	5.1
88.02213	38.2
88.03966	1.2
91.05535	1.0
93.07050	1.9
95.04956	4.9
96.08112	2.0
97.02921	1.2
97.04030	1.1
98.02402	2.5
98.06071	1.9
98.09687	2.2
98.97602	4.8
98.98465	1.9
99.04483	1.0
99.05577	14.8
102.03790	2.8
102.05528	1.0
103.05466	1.1
103.07583	1.7
107.04958	3.6
108.05270	2.2
110.07179	2.4
110.69335	1.1
110.97611	1.2
112.07624	2.7
113.06003	9.4
114.03754	7.5
114.09140	1.5
116.01678	16.4
116.03387	1.5
116.98624	3.8
120.08109	12.4
123.60160	1.1
124.07590	6.1
124.28187	0.9
125.07134	4.0
128.98586	2.2
129.10223	3.6
130.03223	1.6
130.06503	9.1
130.08626	3.8
130.10608	1.2
132.04800	27.5
134.99657	4.1
141.04877	1.7
141.06610	3.4
142.08638	25.6
144.01157	5.1
144.08078	1.3
146.05962	1.0
146.99664	3.5
149.01276	1.1
156.02667	1.0
157.07646	2.3
158.02725	1.7
158.06004	8.0
159.05875	17.1
162.02231	8.9
173.02895	1.0
175.05385	4.4
175.08620	1.0
184.09680	9.8
188.07253	1.2
189.00653	1.5
203.03983	1.3
219.01727	2.8
221.05058	12.9
237.02890	7.9
243.11598	7.4
255.03799	1.6
261.04202	3.5
261.12698	100.0
262.08691	1.5
262.12805	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17064	0.3
53.04014	0.4
55.01935	0.5
56.05090	0.6
56.96621	0.8
57.03505	0.6
58.06666	0.7
58.99933	0.5
64.27386	0.3
67.05585	0.4
68.37476	0.3
69.03114	0.4
69.03517	3.3
69.07156	1.5
69.68371	2.4
70.06689	1.1
71.05075	2.2
72.08238	1.7
73.02984	0.4
73.65609	0.3
77.00983	0.4
81.03513	1.1
84.04600	2.3
84.07696	0.7
84.08238	7.9
84.96078	0.5
85.03002	3.3
85.08005	0.6
85.08572	3.6
86.09801	23.5
88.52767	0.3
91.05520	0.4
96.04581	0.3
97.02898	8.0
98.06103	0.8
98.09747	0.4
98.21475	0.7
98.97671	1.2
99.04450	4.0
100.00211	0.3
101.00891	2.1
101.02551	0.4
102.05618	0.6
105.00488	0.4
105.71999	0.4
107.05009	0.6
109.02891	2.3
110.07235	0.6
112.11244	0.5
113.00925	0.6
115.02518	0.6
115.08713	0.5
116.07143	0.4
116.98720	0.9
117.05569	0.5
119.01918	6.1
127.02470	0.4
127.03917	3.3
128.98697	0.4
129.10342	1.1
130.05089	1.5
130.08673	0.6
130.10667	0.5
131.01895	3.9
132.10283	0.4
133.03523	0.9
134.99670	0.3
135.01454	0.4
137.03053	0.9
138.01697	0.6
143.01993	1.4
145.03470	5.7
145.05037	0.7
147.05107	0.5
147.11412	0.9
148.06032	3.6
148.06990	0.3
149.03032	0.5
154.08713	0.4
155.01891	3.3
156.02690	3.5
156.07753	0.8
157.03516	1.9
159.01477	0.3
160.07648	0.4
161.02957	2.8
163.04564	1.1
171.05037	2.2
173.02965	5.2
175.04587	0.6
177.00792	0.4
177.02480	0.8
185.02902	2.6
189.00771	0.6
189.06107	1.7
191.04016	0.7
191.05736	0.6
201.02496	0.7
203.04010	13.9
213.02393	0.6
217.13289	0.4
219.01768	0.6
221.05067	100.0
222.05264	3.2
226.05630	0.6
237.02875	0.7
239.06104	3.5
244.06650	2.3
244.17087	0.5
261.04520	15.1
261.12161	1.0
261.14468	1.3
261.19907	0.9
261.22638	0.4
262.04602	0.6
279.05624	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	261.0306
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96577	0.8
58.80356	0.8
60.78960	0.7
70.42884	2.4
70.43232	0.9
98.20679	0.9
98.97581	4.4
101.00858	2.2
115.20345	0.7
116.98615	3.4
119.01893	8.6
124.87434	0.9
134.99634	1.2
137.02934	2.8
145.20576	0.8
147.08926	0.8
150.22607	0.8
151.36255	1.0
175.16783	1.0
176.99457	0.7
177.00934	15.6
177.02422	1.5
178.01074	1.3
183.04153	0.8
214.96512	1.3
217.04140	1.9
219.02017	20.8
221.01903	1.0
225.00888	2.8
243.01990	7.9
256.96680	2.6
261.03049	100.0
262.03198	5.3
274.97681	1.0
279.00623	3.7
284.04688	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	260.1969
Annotation	H-LYS-ILE-OH
Peak:m/z	Relative Intensity
54.05530	0.2
55.01861	0.3
55.05511	0.6
56.05035	3.5
56.96574	1.5
57.03441	0.5
57.05844	0.2
58.06609	0.4
59.12697	0.3
60.04515	0.7
65.10220	0.2
67.05508	1.1
68.05029	0.4
69.03426	1.2
69.07072	1.5
70.06588	4.8
70.18644	1.2
71.05003	1.0
71.06091	0.3
72.08154	4.8
81.03403	0.7
82.06580	0.4
84.04503	2.5
84.08142	100.0
85.02904	1.0
85.06545	0.6
85.08463	0.9
86.09704	20.0
95.06084	0.4
96.04468	0.4
97.02872	1.8
97.06479	0.4
98.06021	0.4
98.09676	0.5
98.97578	0.8
99.04483	1.0
101.00893	0.9
101.10780	2.7
102.05552	0.6
102.09188	0.3
107.04980	1.4
109.02845	0.7
110.06020	0.3
110.07150	0.5
111.15244	0.3
112.07609	0.6
112.11227	0.6
115.02412	0.4
115.08676	0.5
116.07092	0.9
116.98606	1.3
119.01911	2.9
120.02025	0.7
121.01659	0.4
127.03921	0.8
128.07137	0.3
128.98601	0.5
129.10240	13.0
130.04985	2.2
130.08629	6.7
131.01889	1.5
133.01570	0.3
133.03464	0.7
134.99626	0.6
136.07567	0.4
137.02988	0.3
140.03419	1.0
143.11746	1.1
144.10201	0.9
145.03441	1.2
146.03554	0.3
146.99669	0.3
147.07640	2.0
147.11276	9.8
148.06032	1.1
155.01886	1.1
156.02672	0.8
157.03436	0.8
158.03181	0.4
158.04445	1.9
158.09241	0.3
158.99612	0.4
161.02960	0.6
161.12813	0.6
171.05013	0.5
171.11189	0.5
172.10706	0.3
173.02948	1.7
173.09280	0.5
176.01038	0.6
177.00673	0.6
177.02377	0.4
185.03000	0.6
186.03914	0.3
189.00754	0.4
189.02374	0.3
189.05991	0.5
190.02736	0.3
190.06187	0.5
191.02263	0.5
191.04022	0.4
197.16460	0.7
200.05635	0.4
201.02386	0.3
203.04022	3.7
206.06941	0.4
218.02036	0.7
219.01616	0.4
219.03517	0.4
221.05061	28.0
224.07986	0.4
225.15938	0.7
228.36230	0.3
236.03113	0.4
237.02768	1.0
239.06050	0.7
242.18642	0.9
243.13379	0.3
243.17043	6.2
244.06625	1.1
255.82492	0.3
260.17047	2.6
260.19650	10.4
261.04480	3.2
261.12119	0.4
261.14606	0.4
279.05698	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	260.1969
Annotation	Lys Leu
Peak:m/z	Relative Intensity
55.05503	0.4
56.05035	3.1
57.03432	0.2
61.01151	0.2
63.58504	0.2
67.05488	1.0
69.03429	0.5
69.07063	0.6
69.41964	0.5
69.42369	1.7
70.06593	1.9
72.08159	0.6
73.02895	0.2
81.03420	0.5
83.06108	0.5
84.04515	2.4
84.08141	100.0
85.02919	0.5
85.06541	0.5
85.08488	1.1
86.06064	0.4
86.09703	8.1
88.03972	0.2
88.08723	0.3
97.02885	0.6
98.21542	0.4
101.00890	0.4
101.07108	0.2
101.10786	2.8
102.00948	0.3
109.02881	0.3
111.09216	0.4
112.07627	0.6
113.00900	0.2
115.02412	0.3
116.07047	0.5
116.98644	0.2
119.01922	2.6
120.02011	1.6
121.01655	0.9
129.10239	10.3
130.05029	1.0
130.08646	4.4
131.01883	0.6
132.02075	0.6
132.10207	1.0
133.01717	0.3
133.03439	0.4
134.03616	0.3
134.99695	0.3
137.02959	0.9
138.03123	0.4
139.02676	0.3
141.10249	0.3
143.01923	1.0
145.03473	0.3
147.07632	1.4
147.11285	8.1
150.03177	0.3
151.04533	0.3
158.09250	0.3
159.01476	0.2
161.02945	1.9
162.03117	1.3
163.02719	0.3
172.32678	0.2
173.02960	1.0
173.09230	0.5
174.03014	0.2
178.56033	0.2
181.03516	0.3
185.02943	0.3
189.02367	0.3
197.12828	0.5
197.16502	0.6
200.04066	0.2
203.04008	0.3
216.00597	0.3
218.02071	0.3
221.05069	1.3
225.16095	0.3
226.14482	0.4
229.03140	0.2
234.21121	0.2
242.18608	0.6
243.13565	0.2
243.14360	0.3
243.17029	6.0
260.17087	2.0
260.19666	10.4
261.05621	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.6
53.00302	0.5
53.03942	2.7
55.05500	2.2
57.07071	29.7
60.70334	0.4
66.13171	0.4
67.05496	2.6
68.05846	0.6
69.07060	100.0
69.48098	4.3
70.07452	0.5
70.07831	2.4
77.03896	1.1
79.05486	4.2
81.07050	1.6
82.07399	0.9
83.08629	0.6
91.05470	3.9
92.05804	1.7
93.07020	2.7
94.07365	1.0
95.04958	58.9
95.08596	1.1
105.04499	0.9
105.07018	4.0
106.07356	2.6
107.04942	31.1
107.08575	0.7
108.08932	0.8
117.06998	0.9
118.07330	0.6
119.08565	2.4
120.08929	2.4
121.06488	16.0
121.10112	0.6
131.08586	0.9
132.08908	1.9
133.10132	1.3
134.10454	1.9
135.04433	1.5
145.10117	1.0
146.10471	1.6
147.11636	1.0
148.12015	1.5
157.10123	0.7
158.10416	0.6
161.13219	0.6
162.13603	1.2
163.11162	70.3
164.11499	1.2
171.11522	0.5
172.12006	1.3
174.13660	1.0
176.15213	0.7
181.70656	0.5
186.13583	1.0
191.10628	7.5
232.21225	0.6
242.19743	2.4
243.85649	0.5
260.13922	18.2
260.20908	11.7
260.23471	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1606
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
55.05509	3.2
55.33334	1.0
56.05036	5.0
56.96569	1.6
58.06595	1.2
58.99586	1.4
60.04520	1.7
66.03051	1.0
67.05489	2.0
68.05022	1.1
69.03420	2.0
69.07074	7.5
70.06593	13.1
71.04996	1.4
71.57211	1.9
72.08154	19.3
72.75895	1.2
74.02442	7.1
75.02789	1.8
81.03423	1.5
83.05628	1.8
83.06106	23.3
84.04504	42.5
84.08144	62.0
85.02916	2.2
85.04839	2.1
86.06068	2.1
86.09704	100.0
87.10021	1.9
90.05558	4.1
91.05498	2.2
97.06437	1.1
98.06059	1.2
98.97599	1.9
101.04259	3.0
101.07128	4.2
101.10806	2.0
102.05530	2.2
106.06581	1.6
107.04955	1.9
108.08121	1.4
109.06567	1.6
110.07160	2.2
116.07058	2.3
116.98633	2.0
118.06538	2.0
120.08109	3.8
126.05437	1.1
129.06641	1.6
129.10239	11.7
130.05013	4.3
130.06606	1.2
130.08623	7.1
131.01945	1.4
132.08139	2.2
132.10201	11.2
134.99593	1.4
136.07607	2.0
143.11760	3.5
144.06581	10.5
147.07629	6.0
147.11243	6.0
148.06059	1.7
157.13365	4.4
160.07648	1.4
161.09209	9.0
164.07079	1.2
170.06085	1.3
171.11330	4.4
172.04239	7.3
172.19173	1.1
182.08313	1.2
185.12936	1.2
186.14891	1.0
189.12389	1.5
196.14456	2.7
197.12859	10.4
213.12383	1.3
214.09804	2.9
215.08499	1.4
221.05034	9.2
242.10301	1.4
242.14992	19.7
243.10739	1.6
243.13318	10.2
243.17122	3.0
244.06503	1.3
254.81119	1.1
260.10614	1.6
260.13147	3.1
260.17157	2.5
260.19589	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	260.0532
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	24.5
59.91334	8.4
64.47006	9.0
69.03429	21.3
70.06593	36.8
71.58192	12.8
72.08134	12.7
78.66140	9.0
81.03429	9.3
84.08129	31.8
85.02893	26.3
86.09683	11.6
94.06549	13.8
97.02905	21.2
98.97578	37.8
101.00883	16.4
107.04943	71.7
110.56239	8.5
114.03957	10.2
116.01947	14.6
116.98639	16.7
119.01918	98.9
121.01692	14.0
128.98570	10.1
130.03497	11.4
131.01930	12.7
132.05057	16.6
133.03499	11.7
137.02972	17.9
138.05489	17.5
140.01938	12.9
143.01859	18.9
147.03214	17.5
151.04462	11.9
156.05075	22.3
158.03015	56.9
159.03249	10.8
160.04565	12.9
161.02937	52.5
162.06140	15.4
163.02676	12.3
172.01025	11.9
174.06133	26.1
198.50674	10.4
200.04010	100.0
218.05086	49.0
221.05019	17.5
251.04344	23.5
260.05655	73.4
278.07172	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	260.103
Annotation	Lenalidomide
Peak:m/z	Relative Intensity
50.52760	1.1
56.05022	3.3
63.46836	1.1
70.06567	1.9
70.28625	4.7
73.07673	2.2
74.02422	3.7
74.03660	1.0
82.02919	2.3
84.04495	2.9
84.08130	4.8
86.09712	7.7
101.58942	1.0
108.65561	1.2
115.05466	1.4
117.05786	1.8
118.06522	3.7
129.10182	1.1
130.06551	6.5
132.06796	1.7
132.08119	2.3
132.10236	3.0
133.05214	6.2
142.06528	8.9
143.06049	2.9
144.08051	2.7
145.05269	1.4
145.06491	2.0
145.07582	5.8
146.06004	30.2
146.07098	2.4
147.06793	6.7
152.45383	1.0
154.06496	3.6
155.06003	1.7
156.06799	6.5
157.05222	6.0
157.07645	2.3
158.06021	3.8
158.08286	1.6
159.06856	5.3
159.09177	11.8
160.07579	10.6
161.07077	1.5
169.07611	49.8
170.06033	16.8
170.08168	1.5
171.05534	27.2
171.09203	2.3
172.06151	2.1
172.07536	10.8
173.07094	11.5
174.05609	5.8
174.07895	26.9
175.08620	1.1
182.06041	1.7
185.04655	5.2
185.07051	2.9
186.10339	2.6
187.08678	36.2
188.07169	1.9
189.12376	1.8
196.08716	8.7
197.07112	69.2
198.05496	1.8
198.07663	3.5
199.08615	5.7
201.06590	21.7
214.09755	100.0
215.08173	6.5
215.09929	1.9
216.06575	4.1
220.08470	2.7
225.06560	7.2
230.91719	1.1
232.10773	1.6
233.09032	1.1
242.09212	3.1
243.07668	35.5
260.10306	43.1
260.14001	2.4
261.05826	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.3
55.05507	0.4
56.96565	0.3
60.11237	0.3
65.03934	2.6
67.05486	0.4
68.99809	0.3
69.42397	0.2
70.04075	1.3
70.50600	0.7
70.85649	0.2
71.01340	0.2
72.08158	0.3
79.05480	0.6
81.07022	0.3
90.94852	0.2
91.05460	0.5
93.03410	0.2
93.07050	0.3
94.06566	0.7
95.04934	0.4
95.08642	0.2
97.06511	0.8
98.06857	0.3
98.90823	0.2
98.97604	0.3
107.04251	0.4
107.04935	2.4
109.02888	0.3
111.04435	2.6
119.08542	0.2
121.02859	100.0
121.97724	0.2
122.03178	0.9
122.06033	0.3
122.09651	0.7
130.06511	0.2
132.08105	0.3
132.95828	1.0
140.10692	9.2
148.07521	0.3
150.96916	0.7
154.08635	0.3
160.97340	2.2
162.09099	0.6
164.04247	0.4
165.05461	0.4
174.02701	0.5
174.09026	0.3
174.96892	0.4
176.10678	1.2
189.13947	0.3
190.12195	0.4
195.94057	0.2
202.12209	0.3
216.07320	0.3
216.17447	0.4
242.11702	1.4
242.74951	0.3
260.01767	0.5
260.10165	0.5
260.12817	5.9
260.17233	0.4
260.20081	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	260.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.5
57.51875	0.4
58.06632	0.4
59.04139	0.4
70.06552	0.5
70.84625	1.1
72.08144	0.5
73.02913	6.6
74.00664	0.5
75.58241	0.4
77.03941	0.5
79.05480	1.5
84.08140	2.0
86.09701	0.5
91.05472	1.1
95.04946	1.8
107.04948	100.0
107.99385	3.0
108.05285	1.0
120.01133	1.2
121.06499	1.3
123.04459	1.1
136.97260	7.4
137.05937	0.7
139.02150	1.8
153.99908	22.9
186.66568	0.4
198.14961	0.5
216.15964	1.2
252.35634	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02355	0.6
53.03938	1.2
54.32507	0.7
55.01866	1.0
55.05512	12.0
56.96566	1.3
57.00948	0.7
57.03436	1.6
57.07063	2.5
59.85457	0.6
65.03928	2.0
65.86848	0.6
67.05505	29.5
69.07066	8.4
69.36641	0.6
69.79665	2.6
69.80073	1.4
71.04974	2.9
71.08649	0.8
77.35432	0.7
79.05495	24.2
81.03403	0.8
81.06581	1.2
81.07059	25.0
83.04983	1.0
83.08618	4.2
85.06532	2.0
91.05484	56.4
92.05784	0.9
93.07046	25.1
95.04946	3.4
95.08606	19.6
97.06519	2.4
97.10162	0.8
99.08083	2.4
103.05464	1.4
105.03402	0.8
105.07034	74.0
106.07358	1.3
107.04938	1.0
107.08591	13.6
109.06502	1.3
109.10139	6.3
111.08044	1.3
113.09550	0.6
115.05454	1.3
117.07027	18.2
119.08583	58.0
120.67532	0.6
121.06513	1.1
121.10159	8.5
123.09474	0.8
123.11741	1.6
128.06224	2.7
129.07005	12.0
130.07779	1.4
131.08569	23.8
132.09274	0.8
133.10130	47.2
134.10532	1.2
135.08054	1.2
135.11676	6.5
137.09641	1.1
142.07785	1.7
143.08572	10.0
144.09296	1.0
145.10120	20.0
147.08020	1.5
147.11691	33.1
148.12036	0.9
149.09596	2.4
149.13239	3.7
151.11185	0.7
151.48053	0.7
156.09319	0.9
157.10115	9.2
158.10829	0.7
159.11691	18.8
161.09546	1.3
161.13261	19.8
163.11160	2.0
163.14842	1.2
171.11687	10.1
173.13266	11.6
175.11206	1.8
175.14835	8.9
177.12766	1.1
185.13264	11.5
187.14824	1.6
189.12692	1.2
199.14809	7.6
213.16370	2.2
215.17889	1.3
217.15912	1.1
231.21027	3.1
241.19511	21.0
259.20578	100.0
259.28162	1.8
260.20993	3.7
280.27606	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.8
53.03930	2.1
53.54903	0.8
55.01865	1.0
55.05511	13.7
55.60206	0.7
57.03420	1.4
57.07069	2.7
65.03931	1.5
65.29298	0.9
67.05506	25.9
67.05869	1.4
67.27535	0.8
69.07072	8.8
70.28130	2.9
71.04981	2.7
79.05489	23.7
81.07058	22.7
83.04971	1.3
83.08599	3.5
85.06517	1.4
88.87309	0.8
91.05482	50.8
93.07047	22.9
95.04948	4.0
95.08609	18.4
97.06514	2.4
97.10147	1.2
99.08090	2.0
103.05460	2.1
104.06226	0.9
105.07034	69.1
107.08598	12.2
109.06505	0.9
109.10142	5.7
111.08073	1.1
115.05445	1.9
117.07026	16.2
119.08584	49.1
121.06516	0.8
121.10142	8.6
123.11726	1.2
128.06203	2.3
129.07037	8.1
130.07777	1.7
131.08566	23.3
132.09331	1.0
133.10133	43.4
135.08060	1.9
135.11702	5.8
137.09637	1.1
141.06915	0.8
142.07799	2.0
143.08563	10.8
145.09038	1.4
145.10124	19.7
147.08043	1.3
147.11691	35.0
149.09605	2.6
149.13260	4.5
151.11211	0.9
157.10135	11.5
159.11693	18.5
161.13255	20.2
163.11142	1.5
163.14807	1.5
171.11678	10.0
173.13312	8.7
175.11145	1.4
175.14861	8.4
177.12799	1.6
185.13287	9.3
187.14842	2.3
189.12819	1.8
199.14819	6.9
213.16396	2.7
215.17992	1.3
217.15901	0.9
231.21101	2.4
241.19510	20.2
242.19894	1.5
259.20578	100.0
260.20929	2.5
276.50635	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2055
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
50.99583	1.3
53.03949	1.9
55.01856	5.6
55.05514	17.2
56.96558	3.6
57.03434	4.3
57.07075	7.1
64.97912	1.4
66.25404	1.4
67.05505	31.0
69.07066	13.1
71.04981	2.5
71.08633	18.0
71.58866	1.8
73.73051	1.3
79.05489	27.3
81.03423	2.9
81.07057	26.9
83.04958	3.2
83.08609	9.6
85.06539	2.6
85.10188	1.8
91.05482	47.7
93.07050	23.5
95.04956	2.9
95.08606	22.2
97.06530	9.6
97.10120	2.8
99.08089	14.6
103.05450	3.8
105.07028	91.7
107.04923	4.9
107.08592	16.0
109.06528	3.6
109.10163	4.6
111.08077	4.8
115.05450	2.8
117.07015	36.5
118.07339	2.0
119.08573	25.8
119.15296	1.5
121.06507	4.1
121.10134	9.4
123.08057	3.0
123.11702	2.4
125.09619	1.9
128.06236	8.0
129.06993	27.4
130.07809	1.8
131.08562	32.5
133.06500	7.1
133.10118	22.4
135.08061	8.1
135.11699	4.9
137.09654	1.9
139.11168	3.0
141.06996	2.6
142.07820	2.2
143.08559	31.9
144.09238	1.6
145.10126	49.5
147.08035	6.6
147.10683	2.0
147.11707	25.0
149.09619	3.4
149.13254	2.9
150.73637	1.6
151.11171	1.5
155.08578	1.5
157.10150	19.7
159.11699	19.8
160.11980	1.6
161.09653	4.9
161.13264	31.5
163.11234	4.1
169.10117	2.2
170.10927	1.8
171.11694	24.0
173.13249	17.4
175.11186	21.4
175.14804	13.3
177.12733	4.8
183.11720	2.4
185.09624	1.7
185.13268	20.0
187.14656	1.9
189.12706	8.5
198.14014	2.2
199.14833	16.5
203.14290	4.2
213.16364	18.5
215.17848	2.9
231.17488	2.5
231.21060	4.7
241.15825	1.8
241.19498	41.8
255.14381	3.8
259.16995	20.9
259.20572	100.0
260.20862	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2056
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03956	1.6
55.01851	2.5
55.05504	15.5
56.96551	1.9
57.03426	2.8
57.07069	7.9
61.00696	1.0
67.05506	22.2
69.03393	1.6
69.06776	1.1
69.07066	13.0
71.04977	1.7
71.08622	3.2
71.59340	2.0
72.07845	1.0
72.08150	9.3
73.08472	4.3
79.05051	1.6
79.05486	21.2
81.03406	1.2
81.07053	25.2
83.08607	7.0
85.06541	1.9
90.09190	6.2
91.05473	42.7
91.09514	3.8
93.06471	1.3
93.07038	20.8
94.85641	1.0
95.04955	4.1
95.08052	1.5
95.08605	18.3
97.06533	8.5
97.10143	2.0
99.08064	2.7
103.05450	1.5
105.07024	59.4
107.04954	2.0
107.07945	1.4
107.08595	13.6
109.06526	1.4
109.10149	5.1
111.08104	1.6
115.05425	2.8
116.06200	1.3
117.07006	43.5
119.08568	40.7
121.06493	1.9
121.10133	11.1
123.08027	1.6
123.11707	2.3
125.09621	1.2
128.06215	4.6
129.06987	20.2
130.07790	1.6
131.08554	43.3
132.01691	1.0
133.06424	2.2
133.10124	37.8
135.04352	1.1
135.08044	3.3
135.11673	5.1
137.09660	1.2
139.11185	1.5
141.06982	1.5
142.07764	1.9
143.08551	22.0
144.09303	1.2
145.06395	1.1
145.10117	32.8
147.08009	2.5
147.11668	35.5
149.09581	3.7
149.13235	3.4
155.08493	1.3
157.10106	13.6
159.11688	50.7
160.12068	1.2
161.09538	2.0
161.13240	12.4
163.03886	3.0
163.11162	3.9
171.11687	19.2
173.02228	2.2
173.13254	41.5
175.11137	3.4
175.14833	5.9
175.58163	1.0
177.12730	3.0
185.13240	23.9
187.14824	4.5
189.12668	2.0
199.14798	15.8
201.16350	1.9
213.16327	3.1
215.07010	3.1
231.21039	2.0
241.19489	26.6
259.09720	1.5
259.20557	100.0
259.28226	62.2
260.20862	1.6
260.23529	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2056
Annotation	Bactacine
Peak:m/z	Relative Intensity
54.91057	0.7
55.05496	2.2
57.07061	3.6
57.07306	0.8
66.96842	0.8
67.05504	6.2
69.07075	5.7
70.84468	1.6
70.84787	0.8
71.04985	1.3
79.05489	4.0
81.07053	28.5
83.08610	2.0
84.97049	0.7
85.06541	1.2
88.67352	0.8
91.05481	4.3
93.07049	7.4
94.24995	0.9
95.04951	3.5
95.08601	14.5
97.06551	1.9
105.03413	1.7
105.07027	7.3
107.08582	7.3
109.06538	4.8
109.10142	8.9
111.08054	1.7
117.07008	4.6
119.07785	1.1
119.08568	10.8
121.10159	6.6
123.08089	1.1
123.11700	66.9
129.06981	2.1
131.08565	4.7
133.10144	7.3
135.08061	12.0
135.11688	1.5
135.46925	0.8
137.09604	10.1
137.13248	0.9
142.07677	1.1
143.08554	2.3
145.10115	14.3
147.11662	4.7
149.09608	3.4
149.13242	1.0
157.10072	3.9
159.11696	9.7
161.09644	2.0
161.13242	3.1
163.11159	1.2
165.12721	1.5
171.11661	5.3
173.13310	4.6
175.11201	1.8
175.14816	4.4
185.13252	4.4
187.14635	1.0
189.12749	2.0
189.16443	1.0
191.14323	2.4
199.14880	1.4
201.16362	8.2
203.14334	3.4
213.65926	0.9
215.17975	2.3
217.19501	1.8
241.19492	6.4
259.20563	100.0
260.20926	2.2
270.90723	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2055
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.01871	5.3
55.05273	1.3
55.05513	17.5
56.96564	1.7
57.03414	3.2
57.07067	6.1
62.75932	1.1
62.92093	1.1
65.03938	1.5
67.05171	1.7
67.05501	21.8
68.60449	1.0
69.07063	13.1
69.79194	0.9
69.79536	8.0
71.04977	1.7
71.08633	8.1
79.05070	1.9
79.05491	25.2
81.03409	2.0
81.06579	1.9
81.07051	24.7
83.04967	2.7
83.08601	6.1
85.06538	2.5
85.10175	2.1
86.09717	1.2
91.05484	45.4
93.07037	21.0
95.04930	3.9
95.08607	19.5
95.09180	2.3
97.06517	4.1
97.10156	2.0
98.97555	1.4
99.08063	2.9
103.05436	1.8
105.07030	49.4
107.04226	1.3
107.04932	4.7
107.08599	10.1
109.06521	2.8
109.10138	4.4
111.08060	5.2
113.09620	1.3
117.07019	21.0
119.08577	33.7
121.06483	4.6
121.10117	7.9
123.11659	1.2
124.64161	1.0
125.00024	1.1
125.09608	1.6
128.06221	3.8
129.07005	19.0
130.07803	1.1
131.08569	18.8
133.06493	4.5
133.09117	1.6
133.10127	23.2
135.08035	4.2
135.11670	3.1
137.09644	1.1
142.07767	1.7
143.08565	16.5
145.10115	19.9
147.08028	5.1
147.11679	21.2
149.09601	2.8
149.13264	4.0
151.11194	1.9
155.32327	1.2
157.10129	14.2
159.11684	13.8
161.09589	5.8
161.13248	22.7
163.11151	3.6
163.14890	1.6
170.10959	1.4
171.11681	20.5
173.13263	8.5
175.11160	19.6
175.14819	12.6
177.00671	1.2
177.12717	2.7
184.07344	2.9
185.13293	13.0
187.14815	11.5
189.12776	7.4
191.14345	1.2
199.14816	6.7
201.16319	2.1
203.14314	4.0
213.16347	2.0
215.18015	2.3
217.15933	1.3
231.17285	1.2
231.21045	4.4
241.19505	26.7
242.20071	1.2
255.14388	1.5
259.20575	100.0
260.20657	1.9
260.25848	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	259.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82291	1.4
55.05507	12.9
56.77290	1.7
56.96568	1.7
57.07058	2.9
67.05497	17.9
69.07064	8.6
69.35303	14.8
79.05491	17.2
81.07041	13.2
83.08607	6.9
83.62971	1.6
85.24595	1.5
91.05475	38.0
93.07026	15.0
95.04961	2.2
95.08598	10.0
97.06531	3.1
99.08093	2.5
103.05447	1.7
105.07022	67.5
107.08575	7.7
109.10172	4.8
115.05449	3.8
116.06228	1.9
117.07008	49.6
117.07835	2.7
119.08572	42.0
121.10134	7.5
128.06186	6.7
129.07005	21.0
130.07742	1.9
131.08553	40.5
131.78384	1.6
133.10118	34.5
135.11717	4.3
135.81392	1.7
138.56212	1.4
142.07796	3.4
142.86235	1.5
143.08559	30.8
145.10117	35.0
147.11664	32.5
149.09628	2.3
156.09332	1.7
157.10123	16.2
159.11674	63.3
160.11948	2.3
161.13226	20.7
171.11671	19.4
173.13258	41.5
175.14836	3.6
179.25183	1.5
185.13278	28.5
187.14818	3.1
199.14815	16.5
209.00761	1.7
213.16402	3.7
231.20999	2.3
241.19478	28.5
259.20557	100.0
259.28198	3.1
260.20663	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	259.2054
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03930	1.8
55.05260	1.4
55.05507	22.5
55.74416	1.2
57.03414	2.1
57.07061	5.3
62.89864	1.2
64.14598	1.1
65.83192	1.0
67.05501	14.3
69.07075	8.1
71.04634	3.1
71.04969	1.2
71.08605	4.7
76.08849	1.1
79.05119	1.5
79.05489	14.7
81.07056	13.6
83.08611	11.0
91.05472	31.5
93.07031	12.7
95.04980	1.9
95.08591	12.5
97.06525	3.3
97.10120	1.5
99.08094	2.5
99.18220	1.1
103.05437	1.6
105.07022	56.5
106.29767	1.3
107.04920	2.9
107.08572	7.2
109.10141	4.4
115.05465	3.3
117.06212	2.3
117.07001	36.4
119.04906	2.6
119.08570	31.4
121.06497	9.8
121.10136	5.2
128.06227	6.1
129.06984	23.9
130.07748	2.8
131.08560	36.4
133.06485	20.0
133.10115	29.6
135.11673	3.6
141.06923	1.6
141.48380	1.3
142.07753	2.4
143.08540	21.7
144.09300	1.7
145.10112	32.4
147.08035	5.3
147.11674	26.0
147.33122	1.2
149.09561	1.8
149.13240	2.2
156.09366	1.8
157.10107	17.1
159.11678	43.0
161.09596	2.0
161.13251	13.6
163.11145	2.8
171.11687	19.8
173.13249	25.9
175.11195	2.0
175.14832	2.1
177.12706	3.6
185.13258	19.0
187.14856	2.6
189.12740	50.2
199.14798	13.8
203.14288	1.9
213.16376	2.8
215.17813	1.8
227.91167	1.2
231.21082	1.5
231.25177	5.1
241.19487	22.7
241.23314	2.4
247.59778	1.2
259.20560	100.0
259.24435	6.3
260.20984	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	259.2054
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
51.02365	0.5
53.03936	1.8
55.01874	1.4
55.05507	11.0
57.03429	1.8
57.06813	0.7
57.07070	7.7
58.06605	0.5
65.03933	1.2
67.05498	20.9
67.85580	0.4
69.03379	0.4
69.07059	8.9
69.40784	2.1
69.41216	1.9
71.02463	1.0
71.04984	1.7
71.08616	1.6
77.03908	0.8
79.05488	19.4
81.07050	22.1
83.04982	1.0
83.08608	3.7
85.06537	1.6
91.05470	45.3
92.05812	0.5
93.07034	19.4
94.86077	0.4
95.04964	3.7
95.08597	14.6
97.06522	3.6
97.10157	1.2
99.08083	2.0
101.01569	0.8
103.05461	1.1
105.07022	62.9
106.06538	0.4
106.07327	0.7
107.04971	1.4
107.07416	0.5
107.08575	11.4
108.08068	0.5
109.06502	1.7
109.10155	5.0
111.08082	1.8
115.05473	1.8
116.06209	0.7
116.27268	0.5
117.07013	16.6
117.07838	0.9
118.07810	0.8
119.08569	41.8
120.08967	0.5
121.06477	1.2
121.10128	7.1
121.95603	0.9
123.08026	0.9
123.11710	1.2
125.09639	0.7
128.02629	3.3
128.06221	2.4
129.03412	1.3
129.06999	8.4
130.07771	1.3
131.08560	19.5
131.94046	0.6
132.09334	0.7
133.10117	36.0
135.08067	1.9
135.11679	5.1
137.09660	0.7
139.11171	0.6
140.00082	0.4
141.06937	0.9
142.04225	2.1
142.07753	1.7
143.08559	11.6
144.09286	0.6
145.10109	18.6
146.10773	0.4
147.08049	0.8
147.11673	28.4
148.96715	0.5
149.09644	1.3
149.13248	3.3
151.11160	0.7
155.06027	0.5
155.08543	0.6
157.10132	8.5
159.11676	16.2
159.13000	0.8
161.09660	1.2
161.13246	18.4
163.03954	0.7
163.11174	1.5
163.14801	0.8
164.00247	3.1
169.00385	1.3
169.10098	0.5
170.03656	0.8
171.11661	10.1
173.02432	0.5
173.13254	8.8
175.11168	1.9
175.14807	7.8
175.97726	1.3
177.12756	1.2
182.04797	1.0
183.03261	0.5
185.13248	10.9
187.14836	1.7
188.04750	1.1
189.12770	1.7
197.13322	0.6
199.06252	0.7
199.14818	5.9
203.14368	0.8
203.97253	9.7
206.01315	0.9
213.16380	1.9
215.17990	1.4
217.15895	1.1
231.17424	0.7
231.20975	2.9
241.19499	17.6
242.19933	0.5
259.20554	100.0
260.03516	21.4
260.20917	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	13.0
59.18876	3.9
67.05484	12.4
69.07057	36.7
70.78198	13.6
71.04986	20.0
79.05462	8.9
81.07040	20.5
83.08596	10.6
85.06553	20.8
91.05473	19.0
93.07049	15.9
95.04977	5.3
95.08597	20.3
97.06509	8.9
105.03399	10.6
105.07020	33.3
107.08595	23.8
109.06516	5.1
109.10115	15.3
111.08065	5.8
117.07021	8.8
119.08563	52.6
121.10121	17.8
123.11671	24.8
131.08553	18.8
133.10095	35.8
135.08029	15.2
135.11653	5.8
143.08585	7.0
145.10106	41.6
147.11632	21.3
157.10112	14.8
159.11667	38.7
160.12509	5.5
161.13229	40.5
171.11662	17.6
173.13251	13.5
175.11180	5.1
175.14796	80.2
176.15587	4.4
185.13246	13.8
189.12727	6.9
190.13399	7.3
199.14682	7.0
201.16354	25.8
203.14268	6.9
215.17915	5.8
217.19514	6.1
241.19456	15.5
259.16846	6.8
259.17340	7.2
259.20554	100.0
274.84799	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	259.2055
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03939	1.4
55.01861	1.5
55.05258	0.9
55.05504	9.9
55.87571	0.5
57.03417	2.2
57.07069	2.9
65.03920	1.7
67.05499	22.9
69.07059	7.1
70.58158	1.8
71.04978	1.6
71.08595	1.1
79.05483	16.8
81.07050	21.0
83.04966	1.0
83.08625	3.1
85.06528	2.1
91.05473	40.1
93.07040	17.5
95.04939	3.2
95.08044	1.0
95.08604	13.1
97.06505	3.3
97.10143	1.4
99.08071	1.6
103.05463	1.4
105.07020	57.0
106.07331	0.8
107.04931	2.1
107.08578	9.9
109.06500	0.9
109.10133	5.1
111.08088	0.9
115.05422	1.3
116.56149	0.5
117.07000	14.5
117.07832	0.8
119.08570	40.8
121.06503	1.0
121.10139	6.5
123.08076	0.8
123.11682	1.0
125.09657	0.5
127.05207	0.5
128.06194	1.9
128.56248	0.5
128.90822	0.5
129.06995	9.6
130.07744	0.9
131.08556	19.7
133.06468	1.6
133.10118	33.4
135.08035	1.8
135.11688	4.0
137.09581	0.9
142.07787	1.7
143.08546	9.0
144.09212	0.9
145.10101	14.9
146.10880	0.6
147.08060	3.1
147.11676	27.2
149.09579	1.4
149.13242	2.7
155.08456	0.5
157.10101	9.1
159.10429	1.1
159.11688	13.7
161.09595	1.8
161.13235	19.5
163.11160	1.8
163.14880	0.8
169.10091	0.7
170.10815	0.7
171.11684	9.2
173.13260	8.6
175.11185	1.8
175.14804	12.1
177.12755	2.0
185.13239	10.0
187.14813	2.0
189.12755	2.5
191.14296	0.6
199.14771	4.6
203.14343	0.9
213.16324	1.9
215.07036	0.5
215.17911	1.9
217.15918	1.2
231.17386	1.3
231.20998	3.0
241.19485	18.8
259.20551	100.0
260.20944	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2054
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
51.02383	0.6
53.03939	1.6
53.75319	0.3
55.01862	1.1
55.05505	9.3
57.03422	1.9
57.07066	7.1
57.64056	0.3
65.03930	1.3
67.05496	19.9
69.07059	23.0
70.07828	0.4
70.28883	1.3
71.04992	2.3
71.08627	0.7
77.03906	0.6
79.05483	17.2
81.07047	19.8
83.04971	0.9
83.08606	2.9
85.06540	2.2
91.05469	38.0
93.07030	19.2
95.04959	11.5
95.08597	14.3
97.06525	3.4
97.10157	0.5
99.08092	1.6
103.05463	1.7
105.07018	54.2
106.07315	0.5
106.81176	0.4
107.04942	6.0
107.08578	10.5
109.06504	1.2
109.10144	4.6
111.08069	1.4
113.09653	0.6
115.05458	1.6
116.06200	0.6
117.07007	13.6
119.08566	42.9
121.06475	3.0
121.10123	7.3
123.08028	0.5
123.11693	1.3
125.09666	0.4
128.06194	2.0
129.06993	8.6
130.07729	0.8
131.08551	20.9
133.03458	0.8
133.06473	0.7
133.10114	35.2
134.10468	0.7
135.04411	0.5
135.08058	1.2
135.11687	4.7
137.09567	0.8
141.06941	0.8
142.07756	1.6
143.08534	9.6
144.09343	0.5
145.10104	17.6
146.10818	0.5
147.08086	2.0
147.11668	25.8
148.12019	0.6
149.09584	1.6
149.13226	3.2
155.08589	0.5
156.09331	0.8
157.10106	7.9
158.10681	0.5
159.11679	14.3
161.09621	1.6
161.13239	19.6
163.03918	0.7
163.11160	11.9
163.14838	0.7
165.12740	0.5
169.10091	0.5
170.10875	0.5
171.11681	10.5
173.13261	8.9
175.11131	1.2
175.14798	11.3
177.12729	1.7
179.14265	0.5
184.12589	0.4
184.58687	0.4
185.13239	9.8
187.14792	2.0
189.12683	1.5
189.16357	0.5
191.10643	1.5
191.14334	0.7
199.14810	5.8
201.16380	0.8
203.14252	0.8
213.16359	2.7
215.17924	2.1
217.15851	0.7
217.19447	0.5
219.55922	0.4
231.17471	0.9
231.21005	2.1
241.19481	21.0
259.20538	100.0
260.13919	2.7
260.20911	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	259.2056
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03930	1.6
55.01845	1.6
55.05259	0.9
55.05507	13.5
56.96545	1.8
57.03435	3.0
57.07075	4.2
62.40075	0.6
65.03923	1.4
67.05502	23.3
69.03429	1.0
69.07066	8.8
70.06582	1.0
70.63373	1.4
71.05005	3.0
71.08620	1.3
73.02907	0.8
79.05487	18.1
81.03394	0.8
81.06571	1.1
81.07051	21.6
83.04983	1.2
83.08617	7.1
85.06516	1.7
88.07613	1.1
90.26176	0.6
91.05473	43.1
93.07037	20.1
95.04960	4.3
95.08598	14.9
97.06522	7.8
97.10165	1.5
98.20869	0.5
98.27788	0.5
98.97570	3.0
99.02046	0.6
99.08086	2.2
103.05457	1.3
105.07022	58.6
106.07338	0.6
107.04939	0.8
107.08583	10.1
109.06523	1.1
109.09555	0.6
109.10159	5.7
111.08057	1.7
115.05438	1.6
116.98603	3.5
117.07006	14.0
119.01868	0.8
119.08574	46.5
121.06490	1.2
121.10146	7.1
123.08103	0.8
123.11707	1.7
125.09642	1.0
128.06198	2.5
129.06989	8.8
130.07840	0.8
131.08560	21.0
133.06419	1.0
133.10120	36.7
134.99640	1.9
135.08025	2.3
135.11694	5.1
137.09595	0.8
141.06990	0.9
142.07726	2.2
143.08557	10.6
145.09213	0.4
145.10104	17.2
147.08040	2.7
147.11681	25.0
149.09641	1.7
149.13293	4.1
157.10100	9.6
158.99603	0.9
159.11685	15.8
161.09616	1.9
161.13245	20.0
162.01764	0.9
162.51860	0.6
163.03896	2.1
163.11212	1.6
163.14908	1.4
169.10109	1.1
170.10889	0.6
171.02336	0.6
171.11674	13.0
173.01083	1.0
173.02359	2.1
173.13246	8.9
173.52521	0.7
175.11154	2.1
175.14818	10.6
177.00717	1.0
177.12692	1.7
178.98579	0.5
185.13246	9.3
187.14828	2.4
189.12746	1.9
189.16335	0.9
191.02258	1.6
199.14783	5.6
203.14317	1.5
203.17885	0.6
213.16362	3.3
215.07036	1.8
215.18002	1.5
217.15759	0.7
231.17432	0.9
231.20978	2.7
241.19481	22.4
242.19798	0.8
259.09708	1.3
259.20554	100.0
260.20880	2.2
260.25864	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	259.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	9.6
57.07069	3.4
67.05504	11.9
69.03408	2.1
69.07064	30.5
69.35960	11.9
71.04986	22.0
79.05488	8.4
81.07053	19.6
83.04964	5.8
83.08605	8.2
85.06537	20.4
91.05473	10.8
93.07034	16.0
95.04955	5.2
95.08600	18.4
97.06519	3.8
105.03394	3.1
105.07027	28.8
105.07587	0.8
107.08588	15.4
107.56754	1.3
109.06497	8.8
109.10140	12.8
111.08061	10.7
115.05470	1.3
117.06997	10.4
119.08572	52.2
121.06532	1.1
121.10139	12.9
123.08042	4.0
123.11697	23.8
128.06235	2.4
129.01799	1.1
129.07005	4.5
130.07765	3.6
131.08574	17.5
133.10118	34.6
135.08054	10.2
135.11697	5.7
137.09608	4.8
137.13248	1.8
142.07747	4.3
143.08566	9.2
144.09352	3.1
145.10109	36.7
145.11256	1.9
147.08029	1.7
147.11676	21.3
149.09567	3.2
149.13266	2.9
151.11182	1.6
155.08565	1.2
156.09312	4.8
156.10408	1.1
157.10106	13.3
158.10971	1.7
159.11693	30.1
160.12473	2.2
161.09607	2.4
161.13251	35.5
161.14597	2.0
163.11197	2.5
170.10956	1.7
171.11674	16.8
173.13278	9.0
175.11267	6.6
175.14813	83.9
176.15488	4.5
177.12752	4.7
177.16422	4.0
181.09338	1.2
185.13260	16.8
189.12781	4.3
189.16394	4.9
190.13536	2.6
191.14317	2.4
199.14764	5.6
201.16373	25.5
202.07738	2.5
203.14272	10.3
213.16315	1.4
215.17938	7.0
217.19463	3.1
226.17279	1.2
227.64474	1.4
230.10886	1.2
231.08061	2.3
241.17136	2.2
241.19444	18.7
259.07507	1.8
259.20563	100.0
260.20941	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2054
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05510	12.2
57.07052	2.3
67.05510	10.9
69.07062	38.7
69.50589	4.7
69.51006	11.3
71.04985	22.7
79.05460	6.2
81.07042	17.9
83.04951	4.7
83.08598	8.4
85.06532	23.4
91.05469	11.5
93.07041	17.1
95.04973	2.2
95.08605	19.8
97.06516	3.9
98.21444	3.9
98.63750	1.9
105.07020	27.2
107.08588	19.7
109.06510	7.2
109.10143	17.1
111.08080	10.3
117.06960	8.9
119.08563	55.3
120.09338	2.6
121.06488	2.2
121.10145	13.3
123.08070	2.4
123.11684	22.8
129.07068	4.4
131.08563	16.0
133.10118	36.2
135.08020	13.9
135.11639	5.7
137.09584	6.4
141.84418	1.8
143.08540	8.3
145.10120	33.1
147.11671	23.5
149.09618	3.2
151.11121	2.4
153.40422	2.0
156.09303	2.5
157.10080	12.4
159.11667	31.6
160.12370	4.0
161.09650	3.3
161.13232	29.5
171.11652	18.6
173.13281	9.3
175.11209	5.4
175.14807	82.4
176.15544	5.9
177.12744	4.3
177.16359	3.7
185.13249	14.2
189.12727	5.2
189.16350	7.3
190.13512	2.9
191.14278	2.9
199.14815	6.2
201.16356	24.7
203.14247	9.6
215.17905	5.7
217.19400	3.2
241.19524	15.8
259.20547	100.0
278.27975	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.9
55.05510	16.1
57.03439	17.9
57.07066	4.7
60.26934	1.5
65.03936	1.5
67.05499	24.3
69.07065	13.4
69.63420	12.1
71.04984	2.2
71.08597	2.4
79.05068	1.5
79.05487	20.7
80.48995	1.4
81.07057	23.9
83.08611	7.2
85.06541	4.4
91.05474	46.0
93.07040	20.7
95.04956	3.2
95.08595	22.4
97.06521	5.2
97.10144	3.0
99.08063	4.5
103.05431	3.0
105.07024	72.6
107.08579	12.8
109.06543	3.4
109.10146	5.8
111.08083	2.5
115.05432	5.1
117.06208	3.2
117.07012	57.1
119.08579	49.3
121.06528	1.5
121.10135	14.7
125.09606	1.8
128.06200	5.5
128.60484	1.6
129.06992	25.4
130.07774	3.2
131.07570	3.5
131.08559	71.0
133.06490	1.6
133.10127	61.2
135.08009	3.4
135.11665	7.1
142.07738	5.2
143.08545	29.2
144.09280	2.9
145.10112	54.7
147.08018	1.6
147.11674	44.6
149.09566	1.6
149.13196	4.4
156.09360	3.0
157.10100	21.8
159.11685	96.0
161.09602	1.6
161.13269	17.3
163.11150	4.3
169.10201	2.3
171.11676	31.1
173.11742	2.7
173.13248	51.9
175.11099	2.1
175.14796	4.7
185.13239	35.9
187.13130	2.7
187.14821	54.0
189.12685	1.8
197.13490	2.0
199.14824	19.6
201.16354	3.7
203.17908	3.8
213.16360	5.5
215.17830	1.7
241.19499	47.3
259.09769	2.3
259.20547	100.0
260.20941	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	259.2054
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03931	1.8
55.05502	13.6
57.03408	1.3
57.07057	4.3
67.05495	18.3
69.07057	10.8
71.04967	1.1
79.05481	21.5
81.07047	17.6
83.04884	1.0
83.08626	5.7
91.05470	44.3
93.07037	17.7
95.04931	3.2
95.08589	12.4
97.06495	3.7
97.10115	1.2
98.20776	2.5
99.08068	2.2
103.05443	3.0
105.03355	1.6
105.07018	76.3
107.08599	7.2
109.06482	1.6
109.10138	3.3
111.08081	1.4
115.05453	2.0
115.42415	1.0
116.06156	1.3
117.07005	42.0
119.08563	46.7
121.06470	1.1
121.10120	7.9
128.06177	5.4
129.06995	21.1
130.07762	2.2
131.08548	43.6
133.10121	41.4
135.08025	2.5
135.11653	5.0
139.11140	1.5
142.07748	3.7
143.08546	23.8
145.10103	33.6
147.08012	1.6
147.11667	28.8
149.09612	2.5
149.13245	3.1
157.10110	15.7
159.11678	47.4
161.13245	23.1
163.11142	1.9
163.14825	1.4
171.11678	19.7
173.13252	32.0
175.14784	8.0
177.12675	1.5
184.07578	1.0
185.13235	20.4
187.14801	3.1
189.12708	1.5
199.14798	13.2
213.16348	3.9
215.17891	3.0
231.20995	1.9
241.19485	33.1
259.20541	100.0
260.20944	2.8
268.00653	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1904
Annotation	Dibutyl adipate
Peak:m/z	Relative Intensity
53.03932	3.2
54.72022	1.6
55.01853	4.7
55.05514	99.1
56.05031	1.8
57.03440	46.3
57.07079	16.0
59.04983	3.5
67.05509	27.3
69.03423	2.2
69.07072	100.0
70.19648	5.5
70.20060	4.4
71.04987	11.0
71.08616	6.0
73.06548	3.9
79.05493	21.8
81.07059	45.1
83.04977	5.2
83.08620	99.9
85.06533	7.5
85.10164	1.7
91.05470	8.1
91.51602	1.7
93.07053	39.1
94.07310	2.2
95.04962	2.6
95.08621	19.3
97.06532	28.6
97.10170	24.7
99.08111	2.5
101.06006	4.0
103.79707	1.9
105.07021	2.2
107.04969	3.3
107.08611	30.8
109.10152	12.5
111.08093	20.9
115.07560	3.4
119.08583	2.2
121.10173	17.1
122.82362	1.7
123.11688	2.9
125.09647	9.7
125.13279	4.8
129.09119	2.3
149.13264	69.2
167.14326	24.0
241.18259	2.8
259.07599	3.2
259.11206	3.4
259.19049	84.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2053
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03928	3.0
55.05508	14.0
56.96559	4.5
57.07062	4.2
66.08073	1.6
67.05496	14.3
67.63968	1.8
69.07069	10.9
70.91576	4.0
71.04994	3.3
72.34962	1.7
79.05488	18.6
81.07042	15.4
83.08616	9.3
85.06511	1.9
91.05471	41.8
93.07043	16.9
95.04963	1.8
95.08583	13.2
97.06527	4.4
97.10144	1.7
103.05423	3.4
105.07018	65.2
107.08578	8.3
109.10120	5.2
115.05405	5.5
117.06216	3.5
117.07005	56.0
119.08567	63.6
121.06489	1.9
121.10141	9.7
128.06198	7.1
129.06993	25.5
130.07732	2.0
131.08559	50.1
133.06393	2.2
133.10118	44.2
135.08102	2.0
135.11662	5.2
135.48108	1.6
136.70035	1.5
142.07764	5.3
143.08545	30.3
145.09039	3.6
145.10109	55.5
147.11673	31.6
157.08932	2.3
157.10132	21.6
159.11673	81.9
161.13249	16.1
171.11656	30.9
173.13242	40.9
175.11176	6.0
175.14821	3.3
180.73940	2.2
185.13231	30.8
187.14784	4.0
199.14772	19.8
213.16371	2.3
229.10083	1.9
231.20927	1.9
241.19461	35.3
259.20547	100.0
259.28217	5.6
260.20956	2.5
277.11041	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	259.1692
Annotation	Gymnasterkoreayne B
Peak:m/z	Relative Intensity
53.03941	1.8
55.01865	2.0
55.05507	6.4
56.96563	1.8
57.03428	1.2
57.07074	1.6
57.45630	0.7
60.96666	0.7
65.03926	0.6
67.01865	3.5
67.05502	7.8
67.35151	0.5
69.03429	3.4
69.07066	11.4
71.04961	0.6
71.59785	0.8
71.60201	0.7
72.08131	0.7
79.05491	11.2
81.03416	0.9
81.07054	23.1
83.08601	2.2
89.03912	1.4
91.05465	9.1
93.07042	9.2
94.07865	0.8
95.04965	2.7
95.08595	8.4
95.80791	0.6
97.06526	22.3
97.10163	2.0
98.97552	1.0
103.05452	0.9
105.03381	0.8
105.07034	4.9
107.04955	15.0
107.08591	7.1
109.06516	29.0
109.10153	11.0
115.05444	1.4
117.03403	1.5
117.07014	3.4
119.08581	3.8
121.06499	10.2
121.10143	3.7
123.04404	2.4
123.08072	1.8
123.10800	1.4
123.11698	23.8
125.49557	0.6
127.03983	1.0
128.06242	1.6
129.07001	1.9
131.08556	2.1
133.02841	1.1
133.06485	3.4
133.10135	2.8
134.99681	0.9
135.04408	9.9
135.08081	3.2
135.11694	8.7
137.05974	100.0
138.06386	0.8
141.06857	0.6
142.07666	0.6
143.08557	2.9
145.02840	1.6
145.06453	1.6
145.10104	1.3
146.07231	0.6
147.03349	0.7
147.04404	3.5
147.08044	3.9
147.11691	0.9
149.06003	6.4
149.09596	1.1
149.13177	0.8
151.07542	6.9
153.05484	2.3
155.08614	0.7
156.09357	0.7
157.06473	1.0
157.10103	1.8
159.04440	0.9
159.08044	2.6
161.02324	4.8
161.05969	7.2
161.09639	3.2
163.03899	9.6
163.07533	10.6
165.09111	1.6
171.08037	3.2
171.11670	1.0
173.02353	9.2
173.06061	1.1
173.09630	1.9
173.13277	0.9
174.06737	2.5
175.07539	8.6
175.11195	1.9
177.09081	5.9
185.09557	3.4
186.96815	0.9
187.07516	0.7
188.08324	1.0
189.09090	10.1
189.12718	0.6
191.10657	0.9
199.11322	1.1
199.14549	0.7
201.12662	0.8
203.10664	10.9
212.12018	0.7
213.16344	0.7
215.07027	10.2
217.12236	3.1
231.13782	1.0
241.15947	5.0
241.19534	0.8
259.09616	3.4
259.16943	67.1
260.17236	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03472	1.9
55.05501	3.1
56.05031	11.5
56.96560	2.9
58.06597	5.0
60.04512	5.0
64.59673	2.3
67.05490	7.3
68.05039	3.4
69.07072	3.9
70.06597	54.1
70.37370	3.8
70.37765	3.3
71.04989	3.6
72.08163	16.3
74.02444	86.0
74.06120	3.2
79.05495	13.4
80.05011	5.7
81.03436	3.1
81.07034	5.1
82.06564	2.7
83.04956	3.7
83.06094	6.3
84.04508	100.0
84.08146	43.1
85.02908	5.5
86.06061	3.9
86.09713	24.2
87.05613	2.3
87.78462	1.8
88.03985	2.7
91.05486	6.8
93.07024	2.7
94.06553	5.9
95.04969	6.5
97.02895	3.8
97.06551	2.4
98.06070	2.0
100.07658	2.3
102.05533	4.7
102.09190	3.3
105.07028	4.5
106.06557	14.3
107.04964	15.3
108.04539	2.0
108.08118	3.8
110.06047	5.8
110.07161	3.9
111.04404	2.2
112.07628	2.0
112.08716	1.7
113.05999	6.7
118.06563	12.6
119.04920	3.7
120.08125	5.3
121.87400	1.8
122.06078	2.9
122.09667	5.8
124.07568	3.9
125.05965	4.3
127.06095	2.1
127.08665	2.6
128.36250	1.9
129.10197	9.4
130.05005	45.1
130.08638	50.0
132.08087	5.0
133.06516	2.5
134.06026	20.5
134.09650	3.1
135.04413	6.0
136.07590	10.9
137.06009	3.4
138.09242	2.1
144.06625	3.4
148.17648	1.9
150.09134	15.5
152.07097	8.6
160.07584	3.7
162.05487	1.9
162.09175	2.9
164.07079	3.1
168.10199	11.7
170.08192	2.1
172.09808	2.2
177.10191	4.6
178.08597	4.1
180.06570	9.4
181.09723	2.7
196.09700	24.7
197.12885	4.1
198.07635	5.0
198.11230	1.9
199.07141	2.9
206.08122	3.8
213.12393	2.6
217.08054	2.1
223.10823	6.3
224.09215	3.5
241.08363	3.4
241.11754	10.8
242.10197	12.3
242.15007	4.4
259.10193	2.9
259.12903	41.7
259.20401	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.2
55.01865	2.6
55.05507	2.4
55.70942	1.0
56.05026	2.8
56.81750	1.0
56.96556	1.8
57.03431	2.2
62.43637	1.0
67.05507	3.8
68.05019	12.6
69.03416	1.9
69.07059	8.9
70.85395	2.4
70.85702	1.0
72.04510	8.6
72.08139	2.4
73.02911	1.2
79.05486	10.5
82.02937	1.3
84.04494	16.8
85.45325	1.3
89.03910	4.0
91.05456	2.9
94.27911	1.0
95.04964	3.8
97.06522	52.9
103.05483	1.6
105.07023	1.4
107.04950	18.3
110.09624	1.1
111.04382	1.3
112.03962	1.9
115.05466	3.2
117.03369	4.2
117.07027	2.6
118.06532	35.4
119.04992	1.2
128.06224	1.5
130.05067	15.4
130.06511	100.0
131.06865	1.4
132.08090	4.3
133.02838	3.3
134.76064	1.3
135.04391	5.6
141.07001	2.9
142.06511	3.8
143.07301	4.7
144.08075	26.4
144.14987	1.2
145.02864	1.8
146.05997	68.6
146.34023	1.4
147.04420	2.4
147.06313	1.7
153.99893	1.7
158.09686	2.1
159.04416	3.5
159.09161	5.6
161.02307	12.9
163.03896	19.9
168.08080	9.5
169.06415	1.8
169.07617	6.5
170.05959	7.7
173.02315	24.4
181.06448	1.3
185.05887	2.3
186.09131	12.0
187.08806	1.6
188.07048	64.9
197.05974	1.8
199.07588	2.0
200.04707	1.6
213.00725	1.3
213.10405	1.3
215.07062	27.3
215.08591	4.6
227.06976	3.5
231.97495	1.1
241.09633	3.6
242.08206	1.9
252.81772	1.1
259.10638	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	259.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01878	4.4
55.05496	1.6
56.96558	1.6
57.03420	2.6
67.05505	5.0
69.03416	1.4
69.06715	1.1
69.07064	13.5
71.04991	0.9
79.05487	15.6
81.03410	1.0
81.07066	0.8
84.86807	0.6
89.03900	4.9
91.05478	2.3
95.04958	2.5
97.06525	100.0
98.06779	0.7
98.97587	1.9
103.05432	0.8
105.03417	1.2
107.04951	2.2
116.98618	1.1
117.03372	6.4
119.05012	0.8
123.82973	0.6
124.70169	0.7
129.06995	1.1
131.00209	1.1
131.04926	1.5
133.02831	5.4
134.03683	0.9
135.04404	10.2
145.02815	7.3
147.04388	2.9
149.01210	1.8
157.06503	1.3
158.99690	0.7
159.04420	6.3
161.01331	0.4
161.02330	23.6
163.03897	35.8
169.06554	0.7
171.04440	1.1
173.02330	41.5
175.03905	1.1
177.00755	0.8
185.05980	2.2
186.03165	1.5
187.03902	1.4
187.07516	1.3
197.05991	1.1
199.07564	0.6
215.07008	40.4
217.04993	0.6
235.99007	0.7
243.08893	1.3
259.09607	18.2
259.18115	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
54.86934	0.5
55.01865	5.2
55.05500	1.4
56.05019	0.5
57.03435	1.5
67.05497	3.3
69.03425	1.7
69.07066	14.2
69.72714	1.2
69.73122	2.8
74.91225	0.5
77.03951	0.6
77.10742	0.6
79.05055	1.0
79.05491	14.0
79.21528	0.5
81.07014	0.6
83.04977	0.5
89.03909	7.7
91.05476	2.5
92.05795	1.4
95.04973	1.6
97.06525	100.0
98.21451	0.6
107.04977	2.8
112.32668	0.6
115.05410	0.7
117.03374	4.8
129.07037	0.6
131.04964	0.6
133.02841	5.0
135.04416	9.6
141.06975	1.2
145.02834	5.4
147.04411	1.5
159.04390	4.0
161.02342	13.5
163.03897	41.0
173.02332	44.0
175.03912	1.1
185.05994	1.3
186.03090	1.0
187.03998	1.2
187.07468	0.6
197.06046	0.7
199.03812	0.6
215.07014	44.6
235.36058	0.5
241.08578	1.1
259.09644	17.6
259.15479	4.1
272.92963	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.1
55.05510	3.4
55.93505	2.4
56.02631	2.2
56.05036	2.6
56.96571	14.0
59.06108	7.4
60.04512	3.4
67.05479	3.2
69.03452	2.5
70.06583	5.9
71.05502	6.1
72.08141	3.6
72.93793	2.2
79.05482	5.4
81.03424	3.9
81.04531	9.3
81.07043	2.8
82.06596	2.4
83.06121	3.8
84.04504	6.5
84.08129	7.0
85.02882	3.7
86.08447	3.6
86.09710	5.0
90.94818	3.1
91.05446	5.0
94.06549	3.4
95.04960	3.9
95.06075	6.2
96.04506	2.9
97.02882	3.1
97.06536	2.9
105.07042	2.4
107.04948	10.8
110.06030	4.1
111.04433	3.6
116.98600	2.5
119.01895	3.2
123.04388	4.3
124.07561	3.9
125.07103	9.1
134.05980	2.6
136.06203	2.7
137.05876	5.1
138.05508	3.1
143.08183	6.5
160.07600	3.0
164.07071	3.5
169.06427	4.3
175.08650	2.8
181.01627	2.5
182.08203	2.6
200.04747	4.5
204.97911	3.0
213.00810	2.6
215.07036	6.8
217.85275	2.3
223.10803	3.9
231.01738	4.9
235.99763	3.0
236.02119	2.7
241.11848	8.9
241.15422	8.0
259.04248	100.0
259.10040	5.5
259.12936	25.9
259.16495	20.2
259.20596	2.5
273.82635	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	259.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73767	2.3
56.05019	4.1
60.04531	3.4
67.05470	2.9
69.03440	3.9
70.06577	5.0
71.33137	4.9
72.08141	7.7
82.02914	2.6
82.06582	2.9
84.04523	4.4
84.08138	13.0
86.09698	5.6
94.06602	2.5
97.02903	3.3
101.05930	2.3
107.04922	8.8
123.04417	3.1
192.38309	2.3
241.11783	2.7
259.04263	100.0
259.12964	6.0
261.96027	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25141	0.6
53.03922	1.0
55.01870	4.1
55.05500	2.0
56.95829	0.5
56.96569	1.6
57.03423	2.4
66.25492	0.7
67.05506	4.5
69.03410	2.3
69.07063	13.1
69.94391	3.7
72.08146	0.6
77.03930	1.2
79.05486	14.9
81.03385	0.8
81.07056	1.3
84.08054	0.7
89.03911	6.8
91.05472	2.7
93.07040	0.9
95.04964	2.2
97.06525	100.0
98.97582	1.8
103.05434	0.9
105.03387	1.0
105.07020	0.8
107.04973	3.3
115.05424	1.1
116.98623	1.0
117.03372	6.5
118.67981	0.7
119.08617	0.8
128.06221	0.8
129.07039	1.0
131.00172	0.7
131.04932	1.5
131.08566	0.7
133.02859	3.4
134.03571	0.8
135.04404	8.5
141.06938	1.2
145.02841	5.6
147.04367	3.9
149.01227	1.7
152.06075	0.8
156.03639	1.2
159.04399	6.3
161.02333	22.2
161.06012	0.8
163.03897	38.8
169.06502	0.9
173.02330	42.3
175.03868	0.9
185.06029	2.6
186.03165	1.9
187.03955	1.2
187.07574	0.8
189.09125	0.8
195.08057	1.1
197.06050	1.6
199.03854	0.7
202.02991	0.6
207.02821	0.7
213.09120	0.9
215.07013	44.7
216.07365	1.4
224.70808	0.6
232.50235	0.7
238.99384	0.7
241.08644	1.4
243.08772	0.9
259.09665	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	259.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.5
56.05033	4.0
56.96565	20.3
58.06601	2.1
60.04527	3.6
60.05641	3.5
68.05026	3.1
69.03436	4.9
69.07053	4.8
70.06593	13.1
71.04993	4.6
71.38728	2.0
71.58897	3.1
72.08149	10.2
73.02906	2.6
77.00934	2.7
84.04502	13.0
84.08134	19.4
85.02910	6.8
85.07652	6.9
86.06055	2.7
86.09715	18.5
87.05570	1.9
90.38897	1.9
95.06101	6.9
96.04478	3.1
97.02899	4.2
98.97593	3.9
100.03952	2.5
101.00912	2.6
102.05541	2.2
103.21349	2.1
107.04961	7.0
110.06035	2.2
110.07156	3.2
112.08744	2.3
113.07150	7.1
114.05477	2.6
116.07036	2.3
116.98605	3.8
119.01913	24.5
121.72564	2.0
123.04456	2.8
127.03917	2.9
127.08707	2.7
128.07086	3.8
128.98593	5.2
129.10265	6.4
130.08685	3.3
131.01903	10.6
131.08195	6.9
133.03482	10.3
134.62256	2.0
134.99657	2.1
137.02971	10.8
139.00060	4.6
139.05052	5.0
140.03369	3.4
143.01923	2.0
146.02742	2.6
146.99678	2.8
149.02992	8.2
151.04539	7.2
153.06648	3.1
158.04507	5.0
161.02980	5.3
164.02312	3.5
169.06145	5.5
171.01390	3.3
171.07729	4.5
173.09218	4.8
174.99202	5.4
175.00925	16.7
175.11905	3.4
177.00786	5.4
177.02480	4.4
177.06688	2.4
186.04103	4.1
187.10872	5.4
189.02437	15.2
193.00227	8.8
193.01993	7.7
193.05908	2.8
195.03551	2.8
199.02138	21.7
199.07181	6.7
200.05586	2.3
205.06131	6.2
213.00684	3.1
213.02544	3.6
214.10686	2.0
216.97185	2.6
217.01978	20.7
217.08148	11.0
223.07257	5.3
227.13899	2.7
231.03647	3.7
235.03064	15.6
241.03168	11.1
241.11954	2.3
259.04309	100.0
259.13113	6.2
259.16360	9.4
259.20816	2.4
277.04123	7.7
277.08026	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	258.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60181	0.9
53.03958	0.8
55.05517	6.1
56.05045	1.0
57.03437	1.8
57.07080	1.2
62.06089	100.0
63.06436	0.8
67.05501	12.1
68.90201	0.9
69.07060	5.9
70.02953	0.8
71.04982	3.3
71.58362	0.9
71.58764	1.0
71.59116	0.8
73.60880	0.7
79.05489	5.0
81.07055	18.5
83.08622	3.6
85.06533	2.5
86.09712	1.9
91.05489	4.9
93.07052	5.5
95.04969	0.8
95.08601	16.6
97.06548	2.5
98.09695	2.2
104.10727	2.5
105.07026	3.6
107.08618	1.9
109.10173	1.8
110.09703	1.0
111.08089	1.1
119.08575	3.7
125.00036	1.2
132.08929	1.0
133.10136	1.9
135.11720	1.0
145.10049	1.7
146.10452	1.8
156.08421	1.2
160.11961	0.7
161.13229	5.9
179.14304	2.4
184.07355	2.1
185.01842	0.9
186.13597	1.2
222.18504	2.6
223.16922	2.0
228.19620	1.1
230.24878	1.0
240.19608	22.9
241.17906	1.4
241.20111	1.1
258.10495	0.8
258.20953	5.8
259.10999	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.6
55.01864	0.5
55.05511	1.1
56.05037	3.9
56.96576	2.2
57.03440	0.8
58.06601	1.5
60.04530	1.0
60.05664	0.7
60.08168	0.4
61.02916	0.7
67.05503	1.5
68.05025	0.8
69.03422	2.2
69.07080	1.3
70.02954	0.4
70.06594	13.8
70.18492	0.8
70.18916	1.6
70.95835	0.5
71.04997	0.8
72.08157	6.0
72.93791	1.3
73.02915	1.4
74.62782	0.4
80.05023	0.6
81.03419	1.9
82.06580	1.1
83.06103	1.5
84.04507	23.0
84.08144	100.0
85.02896	3.0
85.07667	1.4
85.08488	1.2
86.06086	0.6
86.09708	8.5
88.04015	0.4
90.94811	0.8
91.05501	0.6
95.04971	0.7
95.06069	0.6
96.04536	0.4
97.02895	1.6
98.09724	0.9
98.97605	1.7
99.09192	0.6
100.02203	1.0
101.00881	0.5
101.10789	2.4
102.05510	1.0
104.10751	4.3
105.07043	0.7
107.04901	0.7
108.95794	0.5
109.02875	0.7
109.04777	0.4
110.01305	0.6
110.06077	0.6
110.07156	1.7
111.09178	1.9
112.03963	0.6
112.07617	0.5
112.08749	0.8
112.11259	0.7
113.07111	0.4
114.05508	0.8
115.08691	0.7
116.07088	1.1
116.98633	1.7
119.01868	2.0
125.00093	0.9
125.07108	0.7
127.03948	1.0
128.02306	1.2
128.98569	0.4
129.10242	90.9
130.05014	5.0
130.10582	1.1
131.01898	0.4
131.08165	1.0
132.95845	1.1
133.06470	0.9
134.99628	1.3
137.02870	0.7
137.05948	0.6
139.08656	0.5
139.95830	0.4
141.10181	0.6
145.03506	0.4
145.06094	0.5
146.99617	1.2
147.11259	0.6
149.10738	0.6
150.96924	1.2
154.09793	0.5
158.97385	0.8
158.99597	0.5
161.01259	0.6
161.02794	0.9
162.96858	0.6
164.02267	0.7
165.00610	0.5
167.11787	0.6
168.03639	0.9
169.09706	0.4
170.99602	0.4
173.03033	0.7
173.09274	0.7
175.11945	1.4
176.98471	0.5
177.00627	0.4
177.04156	1.4
177.05753	0.4
178.09705	0.4
182.03403	0.6
184.07355	0.5
186.96832	0.7
187.10786	1.6
189.00769	0.8
189.02458	0.4
191.03870	1.1
193.00230	1.3
195.11278	3.4
199.02185	1.1
201.12418	0.6
214.21010	0.5
217.08191	0.9
228.97925	0.5
230.24850	0.5
234.98972	1.7
240.13406	3.6
240.17102	0.9
241.03178	0.5
241.09193	0.4
241.11763	1.1
258.00638	0.5
258.11685	0.7
258.14548	2.8
258.18097	1.5
259.04266	4.2
276.07574	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.01875	1.6
55.05509	1.0
55.93512	1.9
56.94299	1.4
56.96558	2.1
57.07066	1.0
58.63468	0.8
59.17923	0.8
69.03409	1.8
70.06572	5.3
70.95860	1.6
71.50804	2.0
72.08136	2.7
72.93784	5.5
79.05490	1.5
81.03432	1.3
84.04469	1.6
84.08122	2.9
86.06053	2.0
86.09689	3.5
87.04454	1.7
88.96844	0.9
90.94799	4.0
91.05473	1.4
93.07026	1.7
94.06574	0.9
95.04959	2.0
98.06029	2.7
103.05452	0.8
104.10721	0.8
107.04943	72.1
110.03562	1.2
111.08051	1.2
113.96436	1.4
116.98586	1.1
121.06500	9.4
128.04561	2.5
131.97440	1.4
132.95830	3.3
134.99673	1.2
135.03006	4.1
144.95816	2.3
146.97388	1.3
150.96887	2.7
152.05663	100.0
152.10670	7.6
153.04083	12.2
158.97420	6.6
162.96831	2.5
169.06400	1.9
176.98470	3.1
185.02705	0.8
186.96878	3.3
188.98399	1.1
196.13397	1.0
198.96837	1.0
200.04721	1.3
204.97939	1.6
210.36713	0.8
214.14435	3.2
215.07030	2.2
216.97897	4.5
230.24739	1.6
234.96939	1.5
234.98979	20.3
252.97893	2.6
253.00018	3.5
258.00583	10.3
258.09683	8.7
258.14847	1.2
258.17114	2.0
258.24225	1.1
269.73547	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.4
55.05499	0.5
55.93525	0.6
56.05029	3.2
56.94299	0.5
56.96563	4.2
59.50279	0.4
60.04509	0.5
60.08159	0.4
65.13358	0.4
68.05006	0.5
69.03419	0.5
69.07060	1.0
69.29805	0.4
70.06592	4.0
70.71802	0.9
70.72169	0.8
70.95845	0.8
72.08147	1.8
72.93779	1.3
79.58694	0.5
81.04538	0.8
81.07053	0.6
81.67265	0.5
82.06583	0.7
83.04956	0.4
83.06086	0.9
83.97630	0.5
84.04501	24.3
84.08138	100.0
84.62051	0.4
85.02886	1.4
85.08497	0.6
86.09689	4.0
90.94810	1.0
95.06071	1.2
97.02890	1.0
97.24292	0.5
98.97580	1.2
100.02192	1.8
101.10793	2.7
102.05546	0.9
104.10728	1.3
107.04976	2.8
108.05227	0.6
108.95850	0.5
110.07166	0.8
111.09200	1.9
113.07104	0.6
113.96358	0.5
115.08649	0.4
116.98624	0.9
123.04419	1.2
124.08752	0.4
125.07102	1.0
128.00217	0.4
128.96352	0.6
129.10231	99.9
130.04999	4.5
130.08592	0.5
130.10577	0.6
132.95865	1.0
136.06195	0.9
137.02927	0.5
144.95827	0.6
146.01271	1.2
146.02699	1.2
146.97394	0.9
149.10814	0.5
150.96896	0.6
155.81750	0.5
158.97388	1.4
162.96896	0.5
164.02293	5.6
167.11775	0.6
174.00706	1.3
174.96941	0.5
175.11871	0.7
176.98427	0.7
177.00670	0.9
182.03334	2.3
190.08308	0.4
192.01712	0.5
195.01752	0.5
195.11238	2.5
213.06941	0.5
216.97731	0.6
218.06982	0.8
228.05263	0.6
234.99020	3.5
240.13490	3.4
241.11774	1.3
253.00089	0.7
258.00519	1.8
258.07111	0.6
258.11496	0.6
258.14462	2.9
258.18103	1.6
259.04202	1.8
259.07019	0.6
276.07520	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	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03933	3.5
55.05511	9.6
57.03440	16.2
57.12056	1.8
67.05504	24.1
69.07078	12.7
70.77486	5.9
79.05505	9.2
81.07055	17.7
83.08617	2.4
85.06554	2.3
85.68050	2.0
91.05488	23.0
93.07048	11.8
95.04939	2.1
95.08607	22.1
97.06559	2.0
97.10148	2.0
99.08044	4.5
103.05504	2.0
105.07047	20.8
107.08611	5.1
109.06561	3.9
109.10165	4.0
115.05472	4.7
116.06281	3.3
117.07027	54.2
119.08607	13.4
121.06533	1.8
128.06255	9.4
129.06999	42.4
130.07780	6.9
131.08569	48.0
133.10129	5.2
135.11755	2.8
141.06999	6.7
142.07771	8.8
143.08551	34.0
144.09328	5.9
145.10126	77.5
147.08063	2.0
147.11691	5.8
154.94244	2.3
155.08563	12.6
156.09351	2.3
157.10126	39.5
157.35706	2.0
159.11697	89.1
160.12097	2.1
161.13222	4.4
169.10127	22.0
170.10774	2.3
171.11736	19.1
172.95258	6.7
173.13269	24.2
175.11157	2.9
181.10114	2.3
183.11717	22.0
184.12334	2.1
184.23509	1.8
185.13260	78.6
187.11206	12.7
190.96315	3.6
197.13252	18.0
199.14899	8.3
201.12721	4.7
201.16418	6.5
211.14816	5.4
213.16470	2.6
228.97768	3.6
229.19522	2.4
239.17940	35.2
257.19022	100.0
258.19318	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	258.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88531	17.6
56.05019	17.8
56.96550	51.4
57.03429	39.0
60.08138	27.2
69.03412	57.3
70.06571	27.8
71.56416	29.3
73.02910	55.7
84.04482	80.4
84.08148	52.2
85.02894	55.1
86.09706	23.3
90.94838	20.9
95.06080	21.1
97.02871	56.6
104.10724	100.0
110.07124	38.8
116.98649	32.1
119.01889	63.2
121.01644	28.2
125.00011	25.2
127.03910	29.6
131.01802	26.7
133.01660	19.7
133.06384	22.7
144.03217	39.0
146.01257	21.7
147.03130	22.5
150.96873	25.8
150.99129	19.7
158.97598	20.2
164.02319	31.2
166.23425	23.0
171.07657	19.6
173.02930	27.4
191.03879	35.0
192.55676	22.6
193.00085	24.0
198.96928	26.5
200.04486	25.5
203.01991	20.2
203.03853	21.8
233.05072	22.2
234.98984	33.1
258.07281	70.6
258.14432	33.1
276.07510	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03312	1.5
53.03925	1.8
55.01851	2.0
55.05511	12.2
56.01830	1.2
56.96558	7.2
57.03430	8.4
57.07061	4.1
59.04988	2.5
61.03191	1.7
65.03941	2.2
67.05499	38.0
69.07060	9.1
70.06576	1.6
70.56094	2.8
70.56483	2.9
71.04993	2.9
79.05494	13.4
79.64919	1.4
80.05804	1.4
81.07059	17.4
83.08598	6.2
85.06519	3.3
91.05481	21.8
93.07031	13.6
94.68925	1.2
95.04945	2.3
95.08609	18.6
97.06494	2.4
97.10158	2.5
98.97574	9.5
99.08068	4.2
103.05427	2.0
104.38158	1.3
105.07021	18.0
107.04939	2.7
107.08576	7.4
109.06506	2.1
109.10144	11.7
115.05424	4.2
116.06178	3.1
116.98583	13.1
117.07014	37.3
119.08591	12.4
121.10096	4.9
123.08076	1.4
128.06200	7.6
129.06989	26.2
130.07776	7.1
131.08560	42.7
133.10097	8.7
134.99648	15.3
135.08052	2.1
137.09566	1.6
141.06976	5.5
142.07774	5.8
143.08566	28.5
144.09273	1.6
145.06485	3.3
145.10115	100.0
147.08055	2.1
147.11664	3.9
149.01212	1.7
153.00677	4.0
154.07739	2.1
155.08514	8.5
157.10107	25.4
158.01370	1.4
159.11681	50.7
161.09651	2.3
161.13239	2.5
167.08528	2.9
168.09315	2.3
169.10126	15.3
171.11673	21.1
172.95216	4.6
173.09624	3.0
173.11823	2.3
173.13205	9.1
175.11172	3.0
176.98338	1.6
181.10065	2.0
182.10829	1.7
183.11682	18.7
185.11589	3.0
185.13243	43.4
187.11115	2.7
190.96292	1.8
197.13263	14.9
197.98357	6.6
199.14746	3.9
201.16341	3.5
209.13181	4.0
210.14046	2.0
210.89406	1.4
211.14871	4.4
213.16338	3.0
215.99391	3.5
229.15747	1.6
229.19516	4.5
239.17949	27.6
257.13367	2.7
257.18991	79.1
257.26556	2.0
258.19272	3.0
260.64560	1.5
274.97476	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	257.1899
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
50.98780	1.0
55.05504	10.9
56.96554	6.1
57.03433	16.3
57.07058	5.5
59.04991	2.3
60.86614	1.1
64.18584	1.5
65.03944	1.8
67.05498	35.8
67.27491	1.3
69.07040	5.8
69.90224	6.5
70.04053	1.3
70.06572	5.1
71.05009	1.5
79.05481	10.9
81.03391	1.3
81.07058	17.3
83.08601	5.6
85.06548	4.1
88.07620	5.3
89.07945	2.2
91.05476	26.4
93.07047	9.9
94.88634	1.1
95.04980	2.3
95.08589	12.8
95.48241	1.2
97.06509	1.2
98.20763	2.4
98.97563	7.3
99.08064	4.6
102.09169	4.2
103.09490	1.7
105.07025	19.8
107.08590	5.4
109.06533	2.2
109.09454	1.7
109.10149	20.9
111.08139	1.4
113.24754	1.4
115.05425	3.3
116.06200	2.1
116.98610	13.2
117.07002	34.0
119.08567	11.5
121.06506	1.1
121.10138	2.0
123.08058	1.1
128.06219	8.2
129.06996	32.2
130.07755	4.4
131.08553	38.1
133.06497	1.9
133.10101	7.1
134.99664	17.5
135.08069	2.3
135.11688	2.4
137.09621	2.1
141.06973	6.2
142.07817	6.2
143.08553	26.9
143.09665	1.8
144.09299	2.0
145.06464	3.1
145.10106	62.5
147.11652	5.7
149.09625	2.0
153.00688	4.1
154.07841	1.7
155.08508	7.2
156.09352	3.3
157.10120	25.8
158.01181	2.1
159.08051	1.6
159.11667	37.8
161.09612	4.1
161.13261	2.2
167.08490	1.4
168.09322	2.5
169.10126	16.6
170.10820	2.1
171.11667	12.5
173.09634	2.6
173.11754	4.3
173.13257	13.4
175.11153	2.9
175.14842	2.0
183.11670	13.2
185.13245	75.3
187.11176	4.8
187.14857	1.8
189.00485	1.4
190.95291	1.5
197.13261	12.6
199.14838	4.7
201.16365	4.9
211.14804	4.1
211.71967	1.4
213.16475	1.5
229.15962	1.3
229.19490	5.5
232.96185	1.9
239.17929	28.6
256.96390	1.6
257.13635	6.9
257.18991	100.0
257.26648	36.0
258.19424	2.4
274.97504	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	257.1899
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03923	1.1
55.05507	10.8
56.96562	1.6
57.03434	16.6
57.07074	1.4
65.03893	1.0
67.05170	1.8
67.05502	24.9
69.07075	7.2
69.39442	10.2
71.08611	2.5
79.05492	11.6
81.03429	1.0
81.07059	13.2
82.48933	1.2
83.08617	5.3
85.06520	2.3
91.05478	21.0
93.07024	8.5
95.04989	2.0
95.08607	11.0
97.06515	2.6
98.97562	3.0
99.08089	6.2
103.05488	1.4
105.07026	18.5
107.08609	5.5
109.06477	1.6
109.10175	5.2
115.05412	5.0
116.06217	2.2
116.98601	3.7
117.06207	2.1
117.07009	32.6
119.08595	9.4
121.10119	2.8
123.08056	1.5
128.06232	7.8
129.07002	38.4
130.07854	4.9
131.08568	34.9
133.06444	1.1
133.10138	4.9
133.61206	1.0
134.99593	1.7
135.11703	1.4
141.07008	6.1
142.07779	3.5
143.07484	2.0
143.08557	31.8
144.09378	2.2
145.06499	1.7
145.10118	87.4
146.10567	1.3
147.08020	2.5
147.11687	6.8
149.09586	1.5
153.06969	1.3
153.67093	1.1
154.06783	2.4
154.07883	1.2
155.08517	7.5
156.09319	1.4
157.10126	22.1
159.11688	35.3
161.09622	2.9
161.13255	1.7
163.11171	1.2
168.09319	2.9
169.10106	12.3
170.10918	2.9
171.11687	17.5
173.09619	2.2
173.13287	12.1
175.11179	2.0
182.10881	1.3
183.11685	18.5
185.13257	77.7
187.08717	1.2
187.14728	1.4
189.12660	1.2
197.13263	14.9
198.13797	1.5
199.14824	2.8
201.12718	2.0
201.16388	3.3
210.14020	1.3
211.14854	3.4
213.16451	1.9
215.14516	1.3
229.19489	4.4
239.17946	32.6
251.12323	1.3
257.18997	100.0
258.19382	1.4
274.97372	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1898
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.01861	2.2
55.05511	15.6
57.03430	5.5
57.07056	3.6
65.03933	3.3
67.05503	34.7
69.07072	10.4
69.79511	3.9
69.79928	6.8
74.48061	2.1
79.05489	20.7
81.07054	29.2
83.04987	2.9
83.08624	5.3
91.05479	30.4
93.07049	16.7
95.04950	3.0
95.08608	22.5
97.06528	6.3
99.08107	2.1
105.07033	24.8
107.08624	9.5
107.09208	1.9
109.06516	2.1
109.10163	7.7
115.05464	3.7
116.06261	4.2
116.98604	2.2
117.07023	41.1
119.08581	16.6
121.10153	5.1
123.08103	2.5
128.06265	4.5
129.07014	17.6
130.07771	5.0
131.08574	67.2
133.06522	3.4
133.10110	9.2
135.07993	4.2
135.11653	2.5
136.44327	1.6
137.09630	2.3
141.06958	10.9
142.07791	5.4
143.07477	3.2
143.08551	26.4
145.06490	5.3
145.10121	91.9
147.08058	5.0
147.11655	9.2
149.09587	2.8
154.07774	2.3
155.08571	14.2
157.10130	28.2
159.08080	5.5
159.11690	34.1
161.09619	4.7
161.13254	2.7
163.11183	3.4
165.12732	2.4
168.09328	2.3
169.10133	19.5
171.11690	24.3
173.09621	3.9
173.13287	17.8
175.11189	5.5
175.14906	2.3
182.10902	3.1
183.11713	18.2
185.13248	14.1
187.11124	9.5
187.14767	2.2
195.11603	2.3
197.13239	16.7
199.14854	7.6
201.12827	4.4
211.14825	3.2
211.69328	1.8
213.16492	4.0
215.14275	3.6
229.19516	7.0
232.96303	2.0
239.17941	38.0
257.19046	100.0
258.19302	2.0
265.16098	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67435	1.2
54.78758	1.4
55.05276	1.4
55.05504	10.9
56.96552	4.5
57.03179	1.6
57.03432	16.1
57.07062	1.9
59.05021	1.4
61.78545	1.1
65.03937	1.7
67.05161	2.1
67.05499	28.0
69.07065	8.0
71.04965	1.3
71.59823	2.4
79.05483	11.6
81.07047	14.3
83.08606	8.4
85.06530	1.8
87.30199	1.1
91.04955	2.3
91.05476	23.0
92.04951	1.0
93.07037	7.4
95.04977	1.7
95.08598	11.6
97.06521	2.8
98.97574	7.8
99.08076	2.5
103.05479	1.3
105.07028	19.7
107.08587	5.9
109.06508	1.2
109.10152	7.0
115.05464	3.9
116.06250	1.8
116.98605	6.6
117.07008	35.2
119.08586	11.0
121.10146	3.1
125.09676	1.6
128.06235	8.4
129.06998	34.3
130.07762	5.1
131.04860	1.1
131.08563	39.3
133.06479	1.9
133.10132	8.1
134.99666	5.9
135.11725	2.8
138.60599	1.3
140.62358	1.1
141.06938	8.3
142.07780	4.3
143.08551	35.5
144.09299	1.7
145.06468	1.8
145.10115	98.5
146.10559	1.4
147.08035	1.8
147.11694	6.3
153.00681	1.5
153.07014	1.6
154.07764	2.4
155.08524	8.2
156.09274	2.1
157.10144	21.8
159.08040	2.1
159.10434	2.2
159.11688	33.6
161.09637	3.0
161.13341	1.4
163.11172	2.0
169.10110	13.7
170.10884	2.1
171.11699	19.9
173.09654	1.9
173.13258	11.8
175.11166	2.6
177.00766	1.5
183.11679	15.9
185.13251	69.6
186.13632	2.8
187.11188	2.6
197.13268	11.4
199.14783	2.6
199.50578	1.2
201.14014	1.7
201.16386	6.0
211.14745	3.0
212.10672	2.4
213.16437	2.5
214.10980	1.4
215.17909	1.2
229.09909	2.2
229.13312	5.1
229.19502	5.1
232.96429	1.3
234.98950	1.2
239.17935	29.9
241.09616	1.9
257.13034	11.5
257.18994	100.0
258.19339	3.2
274.97559	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1897
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.00328	0.7
53.03930	1.4
55.01860	2.4
55.05510	10.6
57.03431	1.3
57.07061	1.6
64.82485	0.7
65.03924	1.6
67.05165	1.1
67.05501	13.7
67.49096	0.8
69.03408	1.6
69.07059	7.9
70.00871	4.0
71.04988	1.3
77.03927	0.9
79.05483	13.9
81.07052	15.2
83.04967	3.3
83.08598	2.9
85.29774	0.9
88.58727	0.8
91.05476	21.2
93.07035	12.6
95.04949	4.0
95.08598	11.1
97.06538	2.1
97.10155	2.7
98.20846	1.1
98.97556	0.9
99.25130	0.8
103.05428	1.6
105.07020	22.7
107.04963	6.4
107.08584	9.0
109.06513	4.8
109.10151	3.5
115.05436	3.2
116.06223	2.1
117.07010	15.4
119.04955	1.2
119.08570	12.6
121.06490	5.0
121.07240	0.9
121.10110	6.1
123.08009	1.6
123.11734	1.0
128.06218	3.1
129.06998	10.4
130.07774	3.3
131.04947	2.4
131.08560	37.8
133.06482	11.9
133.10146	7.9
135.07986	1.6
135.11656	1.6
137.09634	0.9
141.06999	4.4
142.07744	2.4
143.08534	11.1
144.05704	2.2
145.06473	14.9
145.10107	30.2
146.07263	1.0
147.08026	12.8
147.11684	5.9
149.09587	2.8
154.07741	1.3
155.08545	6.2
157.10120	10.3
158.07253	1.8
159.08076	12.2
159.11678	12.9
160.08809	1.2
161.09610	15.0
161.13255	2.7
163.11165	3.0
168.09222	1.2
169.00417	0.8
169.10106	7.0
171.11688	6.5
172.08881	1.1
173.09622	19.2
173.13260	5.4
173.68408	0.8
175.11194	10.7
177.12764	1.2
182.10854	1.2
183.11671	6.8
185.13249	3.0
187.11189	12.6
187.14748	1.4
189.12770	3.4
197.13248	4.8
199.14796	1.8
201.12762	7.6
211.14766	1.3
213.16391	3.1
215.14322	5.7
215.17966	2.4
229.15855	1.5
229.19513	5.8
230.98990	0.8
239.17926	10.6
257.18988	100.0
258.19321	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	7.2
57.03437	12.1
57.07052	1.6
58.92324	1.3
59.07047	1.4
67.05504	14.3
69.07060	5.9
70.64470	4.1
71.04993	1.5
71.08629	2.7
72.08131	3.1
73.16753	1.4
78.10555	1.5
79.05494	8.4
81.07051	12.7
83.08620	2.8
85.06519	2.2
91.05483	18.9
91.45575	1.5
93.07036	7.5
95.08608	10.0
97.06494	2.1
98.97600	3.7
99.08097	4.9
103.05482	1.6
105.07042	17.0
106.73933	1.7
107.04986	1.5
107.08563	3.8
109.06501	2.0
109.10139	2.9
111.08086	1.6
115.05439	3.7
116.06229	1.7
116.98608	4.3
117.07018	34.3
119.08586	10.6
121.10178	2.1
128.06207	8.0
129.07001	32.7
129.07918	2.3
130.07800	3.4
131.08575	40.6
133.10130	5.4
134.10736	1.5
134.99643	4.2
138.58891	1.3
141.06984	9.8
142.07773	4.0
143.08563	27.4
145.06458	2.1
145.10118	53.8
147.08104	2.5
147.11685	5.8
154.07751	2.2
155.08597	8.8
157.10123	25.8
159.08031	3.0
159.11687	31.4
161.09608	3.7
161.13284	2.3
167.08493	1.7
168.09357	1.7
169.10118	17.1
171.11711	13.7
173.09631	4.4
173.13266	13.1
175.11166	2.4
183.11719	18.9
185.13255	62.2
187.11142	14.3
187.14922	1.9
197.13264	10.2
199.11180	1.9
199.14862	2.4
201.12709	3.0
201.16376	6.1
211.14815	2.9
213.16490	2.3
215.14319	1.7
215.17993	1.8
225.21542	1.5
229.19508	5.0
239.17955	28.1
242.49101	1.3
257.19006	100.0
257.26733	6.2
258.19363	3.4
258.27960	4.7
274.97559	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	257.1898
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
50.26848	1.1
55.01849	1.3
55.05507	8.4
57.03425	3.8
57.07061	1.7
63.85416	1.0
67.05505	15.6
69.03422	1.5
69.07065	6.8
69.66982	7.9
71.04971	4.9
72.96227	1.3
79.05492	10.2
81.07049	14.3
83.04951	1.7
83.08603	4.3
85.06543	3.5
91.05479	17.0
93.07037	9.8
95.04963	3.4
95.08597	12.9
97.06503	2.4
99.08090	1.3
105.07018	18.7
107.08578	11.6
109.06501	3.9
109.10155	5.8
111.08035	2.1
115.05441	3.5
117.07011	24.8
119.08577	16.9
121.10117	14.1
123.08074	2.8
124.43116	1.3
128.06195	5.5
129.06996	15.1
130.07788	3.7
131.08559	42.4
133.06467	2.3
133.10110	12.1
135.08066	3.7
135.11679	2.0
137.09602	3.3
141.06981	5.2
142.07822	6.1
143.08551	21.3
144.09300	2.3
145.06461	1.6
145.10109	57.3
145.11263	2.7
147.11655	5.7
149.09622	2.8
153.06993	1.3
154.07719	1.4
155.08548	8.1
156.09328	4.3
157.10114	28.4
158.10873	3.6
159.08063	2.8
159.11679	36.6
161.09615	4.2
161.13222	2.6
163.11165	3.2
168.09323	1.7
169.10114	14.0
170.10834	1.2
171.11670	20.3
173.09662	4.7
173.13249	26.0
174.14053	2.8
175.11185	7.1
175.14795	3.1
181.10072	1.8
182.10902	2.2
183.11697	17.6
184.12468	2.0
185.13242	10.7
187.11176	7.2
187.14824	4.8
189.12755	2.7
196.12468	2.8
197.13257	15.6
199.14815	13.5
201.12715	7.7
201.16379	1.3
209.13237	2.2
211.14798	4.1
213.16307	8.4
215.14305	4.0
215.17915	6.7
221.62920	1.5
224.15674	2.5
229.15970	1.3
229.19432	2.7
239.17906	26.4
257.18985	100.0
258.19266	1.8
258.28101	1.4
277.34341	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1898
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.05500	4.2
57.07054	2.0
66.02190	1.3
67.05488	6.1
69.07050	5.6
70.84644	4.0
71.04971	5.0
79.05479	8.7
81.07066	6.8
81.32371	1.3
82.23794	1.3
83.04993	2.1
83.08579	2.5
85.06532	4.0
91.05476	10.7
93.07034	17.7
95.04930	4.3
95.08602	11.5
97.06449	1.5
103.05468	1.3
105.07021	25.9
107.08573	12.7
109.06503	5.8
109.10154	10.2
117.07011	5.9
119.07776	2.6
119.08574	26.1
121.06416	1.4
121.10137	83.0
122.10452	1.3
123.08074	5.7
123.11657	2.4
128.06219	3.1
129.07022	4.4
130.07813	1.3
131.08565	12.0
133.10118	10.5
135.08047	15.6
135.11664	4.3
137.09601	5.8
141.06990	3.2
142.07782	6.3
143.08556	17.7
144.09370	1.6
145.10136	19.5
147.11693	4.5
149.09602	3.8
151.11153	1.3
155.08549	4.9
156.09329	5.8
157.10124	22.0
158.10904	3.7
159.08078	2.9
159.11681	22.6
161.09639	1.6
161.13237	2.8
163.11177	4.3
168.09311	2.1
169.10114	11.4
170.10857	1.6
171.11644	11.0
173.09627	1.9
173.13258	20.8
174.13943	1.6
175.11163	3.5
175.14679	2.3
182.10912	1.7
183.11691	12.6
184.12416	4.6
185.13240	2.6
187.11169	5.7
187.14735	6.6
189.12775	1.7
195.11655	1.4
197.13268	8.8
199.14813	36.1
201.12729	8.7
209.13202	3.0
211.14792	2.1
213.16362	10.5
214.17128	2.5
215.14311	2.9
215.17886	8.8
227.14294	1.8
239.17928	15.8
252.58081	1.5
257.18994	100.0
258.19315	2.5
258.27890	2.7
267.87094	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	7.5
57.03426	1.4
67.05494	12.0
67.72912	1.3
69.03410	1.7
69.07047	5.8
70.94166	1.7
70.94499	3.1
71.04979	3.9
79.05476	10.8
81.07033	10.3
83.05042	1.2
83.08601	3.4
84.95149	1.3
85.06547	2.2
91.05470	13.2
93.07038	18.4
95.04958	6.3
95.08595	12.1
103.05471	2.2
105.07023	34.7
107.08586	15.5
109.06484	5.7
109.10162	10.3
111.08084	2.7
115.05420	2.7
116.06205	1.9
117.07002	15.1
117.88147	1.3
119.08571	20.9
121.10134	100.0
122.10484	1.5
123.08049	6.1
123.11665	2.2
128.06203	4.2
129.06992	12.2
130.07828	3.2
131.08545	28.5
133.10124	12.8
135.08052	19.5
135.11732	3.1
137.09625	3.3
140.80336	1.4
141.06967	5.5
142.07750	6.2
143.08549	27.8
144.09296	2.1
145.10114	40.2
147.11653	4.9
149.09599	5.0
154.07770	2.7
155.08502	6.8
156.09357	3.2
157.10117	25.1
158.10901	2.4
159.08022	2.9
159.11670	21.0
161.09644	1.5
161.13234	2.2
163.11165	3.4
168.09331	2.5
169.10121	16.2
170.10928	1.7
171.11688	17.6
173.09677	2.8
173.13246	21.6
175.11235	1.7
177.12753	1.6
182.10767	1.6
183.11694	14.1
184.12497	2.1
185.13242	4.7
187.11209	5.4
187.14748	3.3
189.12692	2.6
197.13248	12.5
198.13947	1.7
199.14792	35.3
201.12746	5.2
211.14854	2.2
213.16357	10.6
214.17062	2.2
215.14375	2.3
215.17929	6.1
224.15619	1.6
229.19456	2.0
239.17918	23.5
257.18991	98.1
258.19376	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	257.1898
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03931	1.4
55.01866	1.3
55.05507	11.7
56.96544	1.0
57.03429	2.0
57.07067	3.3
64.17805	0.6
65.03932	0.8
67.05501	26.4
69.03433	0.7
69.07062	5.7
70.12215	3.3
71.04976	1.5
79.05491	14.2
81.07050	17.4
83.04959	0.9
83.08598	3.3
91.05475	22.9
93.07032	11.4
95.04985	1.3
95.08604	19.0
97.06496	0.9
97.10144	1.5
98.97581	1.1
103.05483	1.1
105.07024	23.4
107.08595	6.5
109.06519	1.4
109.10165	7.3
109.23579	0.6
111.08107	1.0
113.09630	1.0
113.96096	0.7
115.05421	3.3
116.06229	2.0
116.98615	1.4
117.07006	28.2
119.08575	16.4
121.06483	0.9
121.10140	6.4
123.08082	1.5
123.11681	1.0
125.09624	0.9
128.06181	5.3
129.06998	11.4
130.07800	4.4
131.08560	42.3
133.06467	2.8
133.10114	14.1
134.99640	1.3
135.08034	1.6
135.11671	2.7
137.09575	0.9
141.06952	4.8
142.07787	3.0
143.08559	17.9
144.05655	1.0
144.09346	2.0
145.06468	6.3
145.10112	88.5
146.10513	2.2
147.08022	3.3
147.11667	12.0
149.09538	1.8
154.07800	1.4
155.08551	7.6
155.09717	1.0
156.09386	1.7
157.10118	13.5
158.07321	2.1
159.08047	2.8
159.11681	25.7
161.09615	3.1
161.13254	3.0
163.11156	2.6
167.08580	1.2
168.09323	1.4
169.10106	10.4
171.11694	20.2
172.08864	0.7
173.09599	2.6
173.13272	12.5
175.11182	2.9
177.12761	0.8
182.10887	1.1
183.11687	11.4
185.13280	5.3
186.13876	0.8
187.11186	16.1
187.14809	4.9
189.12752	1.8
196.12486	1.1
197.13234	10.8
199.14816	2.2
201.12704	2.1
201.16331	1.5
211.14780	3.2
213.16389	2.7
215.14333	2.9
215.17964	1.9
229.19487	40.0
230.19858	1.3
239.17921	16.9
242.08092	1.0
257.18994	100.0
257.30295	2.6
258.19318	4.6
267.56387	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	7.8
56.96551	3.5
57.03413	3.1
57.07052	3.2
65.03919	1.4
65.92765	1.0
67.05499	16.6
69.07061	8.5
69.48947	9.1
71.04967	4.7
79.05493	8.5
81.07050	12.3
83.04973	2.5
83.08588	4.4
85.06535	6.1
91.05472	13.0
93.07036	13.4
95.04956	4.3
95.08591	13.5
96.01891	1.2
97.06509	2.7
98.97575	6.4
99.08076	2.0
105.06376	1.7
105.07021	20.2
107.08566	10.3
109.06507	5.6
109.10147	11.5
115.05442	2.1
116.98632	9.1
117.06996	11.9
119.08572	18.3
121.06468	1.7
121.10130	30.9
123.08077	3.4
123.11709	1.8
125.09621	1.1
128.06224	3.0
129.06973	11.7
130.07764	2.0
131.08551	23.6
133.10123	10.5
134.99634	9.8
135.08012	8.2
135.11641	3.3
137.09604	4.9
141.06985	3.3
142.07727	5.5
143.08545	17.7
144.09306	2.6
145.06453	1.8
145.10104	38.0
147.11668	4.3
149.09621	3.8
153.06876	1.5
155.08546	6.8
156.09360	5.2
157.10114	29.1
158.01399	1.2
158.10919	5.1
159.08002	2.0
159.11670	33.7
160.12062	1.5
161.09601	3.0
161.13203	3.1
163.11148	3.6
168.09331	2.4
169.10098	14.2
170.10957	1.5
171.11691	20.0
172.08810	1.4
173.09589	3.9
173.11766	2.2
173.13240	27.7
174.13986	4.9
175.11176	4.5
175.14832	3.4
177.12692	2.4
179.08600	1.1
181.10022	1.6
182.10878	2.2
183.11673	15.5
184.12416	3.8
185.13242	10.1
187.11198	6.8
187.14807	5.9
189.12724	3.3
195.11719	1.3
196.12564	1.2
197.13223	12.2
198.13843	1.4
199.14796	27.6
200.15308	1.3
201.12708	9.3
209.13222	2.0
210.13945	1.7
211.14821	2.5
213.16347	10.5
214.17105	3.9
215.14320	3.7
215.17970	9.4
224.15535	3.0
229.13271	1.5
229.19505	2.4
239.17929	19.6
257.18982	100.0
257.26648	4.8
258.19247	3.5
274.97446	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	257.1282
Annotation	Albonoursin
Peak:m/z	Relative Intensity
51.80033	0.7
53.03936	1.4
55.01858	1.0
55.05493	2.3
56.96547	1.7
57.03420	1.1
57.07048	1.4
65.03941	4.3
67.05510	6.8
69.03428	1.0
69.07040	2.5
69.48676	1.3
69.49089	4.3
71.04993	1.2
71.08630	1.7
79.05463	3.1
81.07061	4.5
82.02941	1.0
83.04982	1.2
84.77174	0.6
90.94804	0.9
91.05459	3.3
92.05000	6.7
93.05769	1.4
93.07027	2.5
94.06558	3.2
95.04955	3.2
95.08598	3.2
97.06525	3.2
98.97570	2.8
99.08091	1.5
103.05418	0.9
105.07013	3.1
107.04938	0.9
108.08099	1.9
109.06506	1.1
109.10142	2.2
110.06010	1.7
113.05980	1.2
115.05429	1.4
116.98586	1.2
117.07037	1.9
119.08585	2.9
120.04449	3.4
120.08183	0.8
121.06458	0.9
121.10126	1.5
122.06026	4.6
123.08094	1.0
125.05988	1.0
129.06996	2.6
130.06502	1.5
131.08562	7.3
132.08064	1.4
134.05992	1.4
134.99648	2.5
135.06781	0.7
136.07565	2.6
141.06967	0.9
142.07794	1.1
143.08530	2.4
144.08083	2.8
145.08868	1.5
145.10103	3.8
146.05969	1.2
146.09641	0.7
147.08014	0.8
147.11607	1.2
154.06548	1.7
154.07764	0.9
155.07272	0.9
156.08064	2.0
156.09280	0.8
156.13852	1.6
157.07639	0.9
157.08832	0.9
157.10107	2.2
158.05984	1.5
158.09602	1.4
159.09193	1.7
159.10440	1.2
159.11679	2.3
160.07568	3.0
164.07054	2.9
167.07271	0.8
167.08530	1.0
168.06802	1.3
168.08076	2.7
169.08868	5.9
169.10016	1.0
170.06000	1.3
170.09557	1.7
171.09149	2.9
171.10406	1.4
171.11642	0.9
172.07585	2.4
172.09984	3.6
173.08374	1.2
173.10739	1.2
174.09140	1.7
174.12794	1.1
175.14816	0.8
182.06070	1.8
183.06810	1.6
183.09142	2.8
184.07568	5.7
184.11192	7.1
184.13286	2.0
185.07068	3.0
185.10716	7.3
185.13277	1.0
186.09152	1.1
186.11520	11.2
186.12952	1.2
187.08722	3.5
188.10718	1.1
193.15910	4.3
196.07596	1.8
196.10010	1.4
197.08353	9.6
197.13283	1.2
198.09164	0.8
199.08563	7.4
199.10309	0.8
199.14789	1.0
200.09399	15.7
200.11203	0.9
200.13104	1.3
201.10315	3.3
201.13875	15.3
202.12236	2.8
211.02765	0.7
211.08673	2.3
211.12164	0.7
212.10709	16.1
213.06593	10.1
213.10175	10.7
214.07368	3.2
214.10802	9.6
221.15495	3.5
224.09448	1.9
226.07370	0.9
227.08118	10.0
228.08875	22.0
229.09834	21.7
229.13341	59.7
230.11734	2.9
230.13811	1.4
234.99075	1.9
239.11819	2.0
239.16223	1.0
239.18336	1.0
240.10170	3.6
241.09718	14.5
242.10501	29.5
243.11015	0.9
252.97876	0.8
257.12842	100.0
257.26779	1.1
258.00595	1.2
258.11206	9.3
258.13312	0.7
274.97574	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	257.113
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29776	3.8
55.05506	5.0
55.85447	3.5
55.93513	7.1
56.96561	9.8
57.03428	8.7
60.05646	59.0
64.88752	3.7
67.05496	16.8
69.03407	5.0
69.07031	4.0
70.06579	11.7
71.02731	8.8
71.03053	4.3
72.08149	6.8
72.93775	7.2
73.02898	6.8
73.56751	3.8
74.02440	100.0
79.05474	16.8
80.05023	8.7
81.03406	6.7
81.07048	10.1
82.06578	19.7
84.04501	5.6
84.08129	15.8
85.02881	11.9
85.06534	4.9
86.03546	6.6
90.94807	6.2
91.05470	11.4
93.07037	5.8
94.06560	6.0
95.04967	23.9
97.02870	6.1
97.06509	5.1
97.07648	11.7
98.06085	5.2
98.97586	4.8
103.05438	6.3
105.07030	11.6
106.06552	24.8
107.04977	21.7
107.08577	6.1
108.04465	15.9
108.95925	3.8
109.06471	7.9
110.06061	23.3
111.04418	6.6
112.07590	6.1
113.06009	28.5
117.05746	13.3
118.06531	18.7
120.08070	18.8
121.06513	12.5
122.06042	4.5
123.04430	7.1
123.05527	5.3
124.07532	5.9
125.07115	35.1
126.05509	5.1
127.08685	25.4
130.06516	54.8
131.04938	14.5
132.08107	9.7
132.95799	4.5
133.07585	4.9
134.06017	40.2
134.99632	6.4
135.04422	5.1
135.06856	4.6
136.06174	19.6
136.07565	11.1
138.09113	4.8
141.06519	7.8
146.06017	6.4
147.09097	10.2
148.07582	36.2
149.05959	8.3
150.05565	7.0
150.96831	6.5
152.07056	15.6
154.08638	4.8
157.07617	27.2
158.05974	15.4
159.09225	8.4
159.72070	4.1
166.08662	13.2
169.09673	9.9
171.07594	10.1
171.11258	21.3
175.08669	65.2
176.07098	30.7
177.10139	5.7
180.06488	9.5
185.07101	5.5
185.52208	4.2
186.96970	6.0
193.09720	44.0
194.08034	5.6
203.08133	9.8
204.06490	6.4
209.12936	6.0
213.13568	8.3
215.10275	13.2
221.09193	26.1
222.07567	6.2
234.96870	4.0
234.98955	19.6
237.19722	3.7
239.10408	32.9
239.13898	12.1
252.97958	5.5
257.08875	8.1
257.11591	62.3
257.15103	13.8
258.00604	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	256.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.05513	0.5
56.96561	1.3
57.07063	1.1
69.77760	1.3
69.78175	0.9
70.06577	0.5
72.08148	0.6
72.93793	0.8
81.47906	0.4
83.06103	0.5
84.08138	0.7
88.07617	1.0
90.94830	0.6
92.40366	0.4
95.04978	0.7
98.20659	0.5
98.97549	0.4
107.04950	34.6
108.05315	0.6
109.05123	1.5
116.98590	1.3
133.05106	1.0
133.06520	1.0
134.99664	0.8
139.24664	0.4
150.07742	100.0
150.96793	0.5
151.08122	0.7
155.97420	0.5
159.83736	0.4
256.11908	17.3
256.26343	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	257.102
Annotation	Aryl beta-D-glucoside
Peak:m/z	Relative Intensity
53.03939	2.2
55.01867	3.1
56.05001	1.5
56.96551	2.2
57.03439	17.7
57.07080	7.1
60.04522	1.1
61.02937	6.6
65.03930	1.3
67.05502	22.8
69.03429	20.6
69.07063	5.8
70.06581	9.1
70.82961	3.8
71.01356	1.6
71.04991	8.9
72.08141	5.4
73.02892	4.5
74.02421	2.5
79.05472	3.6
80.05013	1.5
81.03411	7.9
81.07023	1.9
84.04493	3.0
84.08150	8.9
85.02903	35.1
85.06539	8.0
86.09700	3.5
89.60159	1.1
91.05475	2.7
93.07030	1.5
95.04972	37.6
95.08611	2.1
96.05716	1.6
97.02882	9.1
97.06501	1.9
98.97546	1.5
99.04453	9.2
101.00869	2.7
105.07032	2.8
109.02860	3.2
109.06520	2.1
110.07121	1.7
111.04454	1.5
113.06005	100.0
119.01893	5.9
120.08071	2.2
121.06483	2.3
123.08031	2.6
125.06070	1.4
125.07034	2.6
125.08259	1.6
127.03948	6.0
127.06162	1.9
129.10245	2.7
133.06503	2.5
136.06181	4.8
136.78816	1.3
137.05974	3.5
145.04962	10.8
149.05957	1.9
151.07515	4.1
154.06888	2.7
155.04639	1.5
164.05168	1.5
167.07097	2.1
173.03023	2.1
173.04373	2.1
179.07047	3.7
213.20753	2.4
257.10178	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	256.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	0.7
56.96550	0.8
57.07067	7.8
59.03529	0.5
59.87872	0.6
67.05451	0.7
69.07059	5.2
71.08613	0.6
71.60478	1.3
75.00027	100.0
76.00329	0.7
77.46877	0.6
78.02602	0.6
81.04532	0.9
81.07060	1.2
88.07638	0.9
93.18204	0.7
96.08933	0.7
98.97569	1.0
116.98614	1.3
124.05057	8.9
126.37742	0.6
134.99664	0.7
160.02713	74.5
172.02707	23.8
172.04132	1.3
173.01205	1.2
211.49385	0.6
228.08948	7.7
240.59421	0.6
256.08282	0.9
256.17819	1.5
256.21304	0.9
256.26328	6.0
256.30124	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1179
Annotation	Radicamine A
Peak:m/z	Relative Intensity
51.02374	0.4
53.03933	0.7
56.96557	0.6
57.03433	1.1
60.04523	5.6
68.05022	1.2
68.82616	0.5
69.03424	0.9
69.91258	1.6
69.91674	1.1
72.04516	1.7
79.65247	0.5
80.05025	0.5
85.02914	0.9
86.06065	2.8
86.09693	1.8
95.04967	1.6
98.06065	2.7
105.04517	0.6
107.04951	100.0
108.05275	0.6
114.05518	3.4
116.07108	1.1
123.04429	31.3
124.05868	0.9
132.06560	35.2
134.08116	16.0
150.06422	0.8
150.07611	17.6
155.08130	0.9
238.10677	3.8
256.09177	0.7
256.11768	13.4
266.71500	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1741
Annotation	3-Deoxyestrone
Peak:m/z	Relative Intensity
53.03955	0.8
55.01879	1.1
55.05509	4.2
56.96568	0.8
57.03426	3.7
57.07072	1.8
59.04992	1.2
67.05497	9.8
67.66241	0.8
69.03417	0.9
69.07062	5.0
70.68349	2.3
71.04975	2.0
79.05490	9.8
81.07042	6.7
83.04947	4.4
83.08595	1.8
85.06514	1.3
91.05470	8.2
93.07030	11.5
95.04954	4.2
95.08603	4.3
97.06572	3.9
97.10174	2.1
98.98472	1.8
103.91018	0.8
105.07004	10.7
106.80034	0.8
107.08578	9.8
109.06478	4.0
109.10109	1.3
111.08078	2.2
117.07001	1.3
117.81364	0.7
119.08576	12.8
121.10167	3.8
123.08061	1.6
128.06195	1.8
129.07007	4.6
129.51959	0.9
131.08554	5.3
133.10135	7.3
135.08047	4.0
135.11681	8.4
137.09598	1.0
141.06998	3.6
142.07811	5.3
143.08546	13.8
145.10094	6.7
147.08047	2.3
147.11699	1.8
149.09595	1.4
153.07013	2.2
155.08548	10.5
156.09340	11.3
157.10118	17.7
158.10854	1.1
159.08076	1.5
159.11673	6.4
161.09576	4.1
163.11163	1.4
165.06969	4.1
166.07739	1.4
167.08571	6.4
168.09329	2.4
169.10121	12.8
170.10875	5.0
171.11682	28.0
172.12257	1.1
173.09608	2.4
173.13287	3.5
175.11183	2.7
179.08534	2.1
180.09404	3.0
181.10092	6.4
182.10901	11.0
183.11684	11.7
184.08862	1.1
184.12505	2.2
185.09639	4.3
185.13268	8.6
187.11176	2.6
192.09119	0.9
193.10150	5.5
194.10953	2.5
195.11667	11.5
196.12434	6.2
197.09633	2.6
197.13242	44.0
198.10364	1.2
198.13977	3.2
199.11182	11.8
199.14775	1.0
200.11888	1.1
200.23639	0.8
207.11690	10.0
208.12460	2.5
209.13246	3.6
211.11310	2.1
211.14801	15.2
212.11929	1.4
212.15576	11.9
213.12779	11.3
213.16348	24.3
213.18347	1.8
214.13525	2.9
222.14009	8.4
225.12740	4.6
226.13464	1.1
227.14337	1.5
227.17986	2.5
237.16397	16.4
237.18654	1.6
240.15022	5.7
242.32599	0.8
255.17453	100.0
256.17743	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1739
Annotation	3-Deoxyestrone
Peak:m/z	Relative Intensity
53.03920	1.4
53.08150	1.3
53.62142	1.3
54.82346	1.2
55.01851	1.4
55.05504	8.6
56.70169	1.2
56.96548	4.0
57.03431	7.4
57.07061	3.2
67.05228	1.1
67.05501	13.5
69.07050	6.0
69.52957	9.0
71.04968	1.4
79.05484	11.7
81.03384	1.4
81.07040	13.5
83.04955	3.8
83.08588	3.8
85.06490	1.1
91.05476	11.1
93.07031	9.7
94.06540	2.2
94.79517	1.0
95.04931	3.9
95.08600	8.2
97.06521	3.6
97.10166	1.7
98.97526	1.7
98.98447	4.6
103.05450	1.4
105.07027	9.4
106.85727	1.4
107.04924	2.3
107.08613	5.6
109.06491	3.1
109.10173	2.8
115.05466	2.8
117.07013	8.3
119.08559	7.7
121.06499	2.7
121.10133	2.6
123.08060	2.0
124.07573	2.5
125.07915	2.7
128.06206	14.2
129.06992	18.0
131.08539	11.5
133.06464	1.4
133.10110	3.7
134.99686	2.3
135.08029	2.8
135.11658	4.1
141.06944	9.5
142.07745	7.7
143.08540	50.8
145.06508	1.9
145.10120	11.7
146.97429	1.7
147.08034	2.0
147.11589	1.9
149.09615	1.4
153.06970	3.6
154.04787	1.2
154.07716	4.0
155.08559	10.3
156.09245	1.7
157.06458	2.0
157.10112	27.3
159.07996	4.0
159.11649	5.0
161.09584	3.1
165.07007	4.4
166.07771	3.1
167.08560	6.4
168.09306	2.1
169.10123	18.1
169.99069	1.5
171.08025	2.6
171.11664	14.1
173.09570	9.2
173.13257	1.6
175.11072	2.7
179.08527	2.7
180.09296	2.8
181.10129	12.8
183.11678	14.6
185.09607	8.9
185.13217	4.9
187.11194	3.4
193.10146	1.6
195.11664	22.6
196.12309	1.7
197.13245	3.4
199.11195	7.0
199.14793	4.9
208.12448	3.0
209.13203	5.9
211.14809	4.6
213.12621	6.4
213.16296	1.5
227.14400	1.9
227.17949	8.5
237.16435	31.3
255.17430	100.0
256.17673	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.1
55.01859	5.7
55.05509	33.0
56.96551	4.8
57.03433	46.3
57.07058	7.1
59.28632	1.6
60.10167	1.7
61.75153	1.8
63.76410	1.7
65.03927	3.0
67.05499	86.4
69.07061	30.6
70.04050	2.9
70.06557	2.1
71.01343	6.0
71.04994	12.0
71.59764	3.9
71.63088	1.6
79.05487	81.7
79.12970	1.7
81.03413	10.5
81.07050	42.0
83.04976	24.1
83.08613	8.0
85.06524	6.7
88.07639	2.9
91.05472	36.6
92.02028	1.6
92.05780	2.0
93.07034	90.3
95.04956	13.0
95.08590	15.6
96.04528	1.6
96.05198	1.9
97.06511	21.7
97.10162	17.6
98.98443	8.5
99.04436	2.3
99.08076	3.6
102.09097	2.0
105.07043	9.3
107.04938	3.6
107.07859	3.1
107.08584	59.7
109.06474	3.5
109.10137	13.3
111.08065	4.7
117.07015	7.3
119.08565	12.5
121.06453	2.3
121.10126	12.1
125.09615	4.6
129.06976	2.5
131.08562	3.9
133.10114	7.3
135.08090	2.3
135.11681	100.0
137.09599	5.4
141.06960	2.9
143.08556	2.8
145.10112	20.7
145.70061	1.7
147.87030	1.9
153.12749	6.3
157.10120	2.9
161.46364	1.9
163.11197	14.3
169.10179	2.2
171.11671	4.3
181.12225	13.2
187.08223	1.6
211.14836	2.1
233.89018	1.8
255.15706	46.6
256.26404	19.7
259.00143	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.1
55.01871	4.5
55.05508	34.0
56.96552	0.8
57.03436	61.6
57.07073	5.7
65.03945	2.9
67.05504	94.8
68.05036	0.9
68.05844	1.1
69.03426	2.4
69.07067	28.8
70.06584	0.9
71.01349	6.1
71.04989	8.8
71.59474	1.1
77.03938	1.4
79.05490	88.7
80.05828	1.7
81.03419	12.0
81.07056	44.4
83.04485	1.6
83.04980	30.9
83.08627	7.3
84.73804	0.7
85.02894	1.9
85.06548	6.6
88.07634	1.2
91.04889	1.3
91.05479	39.7
93.07043	100.0
94.07360	1.0
95.04970	12.4
95.07994	0.7
95.08159	0.4
95.08604	16.4
97.06528	24.1
97.10162	17.7
98.98466	16.2
99.04460	1.6
99.08092	5.0
100.98935	1.6
103.05473	1.0
105.04521	1.4
105.07030	9.2
107.04950	3.8
107.08592	60.1
108.08929	1.2
109.06515	3.1
109.10149	12.1
111.08094	3.6
115.05464	2.2
116.98664	0.8
116.99508	1.7
117.07013	11.0
119.08573	12.4
121.06496	3.7
121.10136	14.7
125.09622	5.1
127.39519	0.7
128.06041	0.8
129.07013	1.8
130.07765	1.7
131.08586	0.9
133.10138	5.9
134.99681	0.9
135.08061	2.6
135.11687	98.8
136.12018	1.5
137.09619	4.0
143.08527	1.9
145.09032	1.4
145.10124	17.5
153.12784	3.7
157.10100	0.8
163.11179	13.3
172.95250	2.1
181.10014	0.9
181.10411	0.9
181.12228	12.7
183.11736	0.9
190.96281	2.1
191.89505	0.7
195.13737	0.8
198.17877	0.7
199.13235	1.0
206.05363	0.7
246.98912	0.8
255.15846	44.0
256.26361	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	255.1587
Annotation	Russulanorol
Peak:m/z	Relative Intensity
52.98977	1.4
53.03922	7.3
55.01855	3.2
55.05507	33.7
56.96531	1.9
57.03429	59.3
57.07068	8.4
58.07411	1.9
65.03898	2.7
67.05498	95.4
69.03407	3.2
69.07061	28.7
69.49444	13.4
71.01331	7.4
71.04985	9.0
79.05484	91.0
81.03406	11.4
81.07047	42.2
83.04546	2.4
83.04976	26.5
83.08596	8.8
85.06509	5.8
91.05476	38.1
93.07033	95.8
95.04960	9.9
95.08583	16.7
97.05984	2.1
97.06522	24.4
97.10159	21.7
98.20770	3.7
98.98425	6.1
99.04436	2.8
99.08069	3.5
100.07593	2.5
104.79046	1.5
105.07007	10.2
107.04918	4.1
107.07863	3.5
107.08582	65.5
108.08846	1.9
109.10128	13.6
111.04417	1.7
111.08038	4.4
115.05398	2.9
117.07001	10.7
119.08563	14.2
121.06448	3.3
121.10105	14.6
125.09601	3.5
133.10074	7.6
135.08026	2.8
135.11676	100.0
136.12051	1.7
137.09583	5.5
143.08533	3.4
145.10104	19.5
151.11153	1.9
151.27785	1.8
153.12700	2.2
163.11183	12.6
169.09946	1.7
181.12196	15.8
195.11600	1.8
197.13321	2.3
206.47142	1.8
255.13353	4.2
255.15819	60.6
255.25102	18.0
256.16013	1.9
256.26364	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.3
55.01859	4.4
55.05265	1.8
55.05508	31.0
56.96537	2.6
57.03149	2.6
57.03434	55.5
57.07064	6.6
65.03931	4.1
67.05501	92.5
69.03413	3.0
69.07064	26.9
69.41840	16.1
71.01343	7.4
71.04982	8.9
75.45500	1.4
75.98276	1.4
79.05490	82.3
81.03409	11.1
81.07053	41.1
82.49635	1.7
83.04977	27.4
83.08611	10.3
85.06531	7.4
91.05471	33.4
93.07037	88.3
95.04962	12.5
95.08607	14.9
97.06533	21.2
97.10165	17.5
98.98457	2.7
99.08076	5.8
105.07013	9.6
107.04940	2.8
107.08587	56.0
109.06524	4.9
109.10149	10.0
111.08052	4.3
113.81895	1.9
117.07046	8.8
119.08564	11.8
119.51960	1.8
121.06492	3.9
121.10143	14.4
125.09589	6.1
128.06195	1.7
129.06969	2.0
130.07787	1.8
133.10104	5.4
135.07990	2.7
135.11685	100.0
141.06924	2.2
143.08553	6.8
145.10100	20.0
153.12746	2.0
157.10141	1.8
163.11160	13.6
169.10123	2.6
181.12207	15.1
183.11682	3.8
197.13168	1.8
199.13159	1.8
209.13388	1.6
237.16457	4.0
255.15683	46.6
256.26315	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	255.159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30941	1.2
51.94078	1.4
53.03920	5.9
55.01863	3.6
55.05262	2.1
55.05508	30.0
56.96555	1.8
57.03434	55.8
57.07056	6.3
57.29436	1.3
65.03934	2.9
67.05501	87.6
69.07064	30.5
69.45601	11.9
69.46011	1.8
70.89767	1.5
71.01344	5.6
71.04987	10.6
71.08622	1.5
71.74525	1.3
72.93772	2.4
79.05487	80.0
81.03418	11.3
81.07052	43.9
82.56582	1.3
83.04980	29.6
83.08606	6.7
85.06535	6.6
90.94807	1.6
91.05474	29.8
93.07039	88.8
95.04969	10.9
95.08611	15.4
97.06528	22.0
97.10159	15.5
98.98468	4.1
99.04457	2.9
99.08067	3.8
105.04548	1.5
105.07016	12.2
107.04932	3.9
107.07855	2.9
107.08586	57.3
109.06476	3.4
109.10153	12.1
111.08050	4.1
117.06997	10.2
119.01904	1.7
119.08562	12.4
121.06501	3.5
121.10170	12.7
125.09611	5.6
130.07764	3.8
131.08574	1.8
133.10109	7.7
135.08066	2.5
135.11682	100.0
137.09636	4.8
138.25465	1.3
141.06917	1.7
143.01865	2.3
143.08549	5.4
145.10110	17.5
147.08008	1.5
153.12772	2.9
155.08548	2.9
156.09319	1.6
157.10126	5.0
159.11559	1.8
161.02959	2.1
163.11171	10.7
165.07095	1.8
169.10107	4.1
171.11737	3.3
173.09554	1.5
181.12201	18.3
182.10895	2.3
183.11644	2.7
195.11674	3.3
197.13261	7.1
199.11195	2.9
199.13315	2.2
209.13228	1.9
211.14856	2.6
212.09332	1.4
212.15607	2.2
213.12607	2.5
213.16414	3.8
225.12683	1.4
237.16425	3.5
255.11380	4.4
255.15576	46.2
255.18074	2.1
273.07675	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.159
Annotation	Russulanorol
Peak:m/z	Relative Intensity
50.60349	1.4
52.06032	1.5
53.03920	3.8
55.01841	4.8
55.05508	30.0
57.03435	56.6
57.07043	5.5
59.04947	1.7
60.84713	1.5
65.03900	4.2
65.51681	1.3
67.05502	87.1
69.03381	1.8
69.07067	27.6
69.38802	14.0
71.01347	7.5
71.04983	7.8
79.05491	81.8
81.03416	9.6
81.07053	44.4
81.31739	1.3
83.04974	22.1
83.08601	8.1
85.06499	6.0
86.09668	1.7
91.05473	31.6
93.07043	91.0
95.04958	12.6
95.08596	11.3
97.06532	22.9
97.10160	15.1
98.98376	1.7
99.04440	2.4
99.08011	4.9
105.06958	6.3
107.04919	2.4
107.08591	55.5
109.06438	3.3
109.10146	10.1
111.08035	3.8
111.11737	1.6
115.05338	2.2
117.07029	8.1
119.08579	10.8
121.06441	3.2
121.10145	9.8
125.09548	4.2
128.06288	2.4
129.06952	1.5
130.07790	1.7
131.08449	2.5
133.10060	6.0
135.07979	2.3
135.11690	100.0
137.09523	3.8
143.08493	2.2
145.10130	17.4
145.34383	1.3
153.12691	3.7
157.06439	3.1
157.10027	3.1
163.11168	14.8
171.11578	1.7
181.12227	14.0
195.11736	1.6
237.16237	3.6
255.15714	57.6
276.93649	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1014
Annotation	(S)-(+)-Ketoprofen
Peak:m/z	Relative Intensity
50.76459	1.7
54.83254	1.9
55.01863	7.7
55.05504	7.2
56.96564	6.9
57.03429	5.6
57.07084	2.6
58.06590	2.2
60.54550	2.3
65.17593	1.8
67.05489	11.9
69.07069	6.2
69.64673	1.9
70.06583	6.2
70.25011	4.1
70.25413	5.0
71.04974	6.2
72.08139	4.1
79.05486	6.8
81.07058	12.0
83.04961	3.9
83.08610	3.4
84.08137	5.2
85.06529	3.5
86.09683	7.7
91.05481	15.9
93.07031	13.8
95.04963	9.4
95.08625	6.8
97.02902	3.3
97.06519	4.6
97.10150	3.0
98.98462	70.2
99.08085	3.1
100.98901	2.4
104.10735	5.0
105.07028	9.1
107.04945	20.5
107.08589	7.3
109.06553	2.6
109.10137	3.1
115.05470	7.0
116.98588	2.3
116.99524	2.6
117.07067	2.5
117.76785	1.9
119.04918	4.6
119.08584	5.9
121.02901	2.9
121.06473	2.5
121.10108	2.4
123.04315	1.9
123.05567	2.2
123.08067	5.0
129.07007	3.5
131.04930	13.1
131.08580	8.3
133.06480	5.3
133.10109	4.4
135.07985	2.5
135.11678	4.5
137.05968	2.4
138.52972	3.7
141.06934	2.9
143.08563	4.6
144.05698	11.3
145.10143	6.5
153.06953	3.7
155.08554	2.5
157.06516	2.8
157.10138	3.1
165.06996	13.8
165.09113	2.8
166.07730	10.0
167.08527	6.3
173.13258	3.4
176.98970	2.8
178.07726	3.5
179.08585	6.7
181.06482	6.9
181.10048	3.7
183.11696	2.8
184.07343	5.6
189.07027	6.2
190.07756	8.2
191.08519	15.3
191.14366	3.8
194.07253	17.9
195.08092	10.9
207.08047	19.3
209.09650	8.9
210.06821	2.8
211.07477	2.1
217.58556	3.5
218.07166	3.6
219.07988	12.0
219.13719	3.7
223.07666	4.7
225.09094	34.1
231.09007	2.4
235.07576	2.7
236.08209	3.0
237.09102	100.0
237.14745	3.6
238.09584	3.4
255.10045	11.8
255.17783	2.8
255.21144	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	255.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.01864	0.9
55.05507	0.7
56.96559	1.0
57.03421	0.5
57.07072	0.7
61.01146	5.4
65.03925	0.5
67.05508	1.5
68.31885	0.3
69.03412	0.5
69.07056	1.8
71.05000	0.4
71.59638	0.4
72.04515	5.4
78.03787	11.8
79.05496	2.1
81.07043	1.7
83.04976	0.7
83.08636	0.4
85.06563	0.6
86.06062	0.9
89.07135	0.3
91.05466	1.2
93.07054	1.1
95.04972	1.4
95.08598	1.3
97.06532	0.7
98.97572	0.5
98.98457	0.9
99.68044	0.4
102.03762	21.3
103.02178	0.6
103.05402	0.4
105.07053	0.6
107.04949	100.0
107.08585	1.2
108.05289	1.3
109.06504	0.4
109.10094	0.4
111.08079	0.7
116.98610	0.3
119.08604	0.6
120.04818	2.2
121.06448	0.5
121.10143	0.3
122.01839	0.4
123.08093	0.4
123.11694	0.4
131.06383	11.8
132.04774	8.1
135.11653	0.5
148.03920	1.0
149.07431	85.7
166.04990	1.0
173.13162	0.4
174.09048	0.6
195.08110	1.2
206.98836	0.4
212.29472	0.4
219.69632	0.3
223.07544	0.9
231.10907	0.3
238.73717	0.4
255.06596	0.4
255.11798	3.7
255.15651	0.5
267.04947	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.6
55.01857	4.5
55.05504	30.8
56.96550	4.6
57.03430	52.5
57.07071	6.2
65.03934	3.1
67.05496	82.0
68.61842	1.3
69.03403	1.9
69.07059	26.4
69.42046	11.6
71.01335	4.6
71.04982	8.3
71.08633	1.5
79.05484	85.2
81.03404	11.3
81.07046	42.4
81.50431	1.3
83.04971	27.5
83.08598	8.2
85.02881	1.9
85.06541	7.1
87.51571	1.3
91.05470	33.1
93.07033	79.1
94.68182	1.5
95.04964	13.3
95.08588	17.0
97.06520	26.9
97.10155	13.9
98.98435	5.6
99.04424	1.8
99.08076	4.8
105.04534	1.3
105.07008	10.1
107.04922	3.6
107.08582	60.2
108.08876	1.5
109.06499	3.2
109.10152	9.1
111.08043	3.2
117.07006	10.4
119.08573	13.6
121.06512	3.2
121.10121	14.9
125.09610	4.0
130.07776	1.9
131.08575	1.5
133.10104	5.7
135.08038	2.2
135.11673	100.0
137.09599	4.6
143.08537	4.4
145.06459	1.7
145.10104	18.5
153.12729	4.8
155.08546	2.7
157.10115	3.2
159.07915	1.8
163.11183	15.8
167.08511	1.6
173.09579	2.8
181.10109	1.3
181.10628	1.8
181.12177	15.6
183.11621	3.2
195.11707	2.1
199.13106	1.4
239.09686	1.3
255.11485	2.7
255.15630	46.6
257.10477	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	254.9753
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40001	14.7
56.05840	17.9
70.71732	56.1
84.91169	26.6
94.93036	30.8
95.88708	19.4
98.98456	38.6
123.05546	76.6
158.46997	19.3
170.99057	26.5
174.98611	27.4
176.93578	26.7
189.00095	32.0
194.93974	30.2
212.96634	28.4
213.00079	100.0
231.01141	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	255.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02658	0.3
55.01868	1.8
57.03434	3.7
59.04996	0.4
59.54535	0.2
60.20781	0.2
61.02921	1.2
69.03417	1.7
71.01342	1.0
71.58677	0.3
73.02914	2.1
78.03450	1.4
80.05006	3.6
85.02898	2.4
85.14465	0.2
87.04478	0.3
96.04467	1.4
97.02888	0.9
103.03928	0.3
106.02907	7.6
107.04961	0.7
115.03944	1.2
123.05543	100.0
124.03969	0.3
124.05874	0.6
133.04956	2.5
154.77718	0.2
171.21255	0.2
196.07150	0.5
236.50465	0.3
255.10873	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.2
53.03922	0.6
54.22267	0.2
55.01867	2.3
55.05494	0.2
56.05014	0.6
56.96560	1.9
57.03434	4.2
57.07035	0.3
59.04974	0.4
60.04520	5.7
61.02928	1.2
62.06057	0.3
64.55257	0.2
65.03925	0.3
67.05474	0.6
68.05030	1.7
69.03423	3.5
69.07042	0.7
70.02942	0.2
70.06586	2.4
70.45605	0.5
70.45963	0.4
71.01351	1.4
71.03706	0.3
71.04971	0.4
72.04514	2.1
72.08144	0.4
73.02554	0.3
73.02916	3.6
74.06070	0.3
77.03914	0.4
78.03441	1.2
79.05481	1.0
80.04553	0.3
80.05007	3.5
80.05770	0.2
81.03394	0.3
81.07030	0.5
83.06092	1.0
84.04471	0.6
84.08147	1.4
85.02415	0.3
85.02896	3.6
85.07640	0.5
85.08470	0.3
86.05574	0.2
86.06064	3.7
86.09689	2.5
87.04436	0.7
87.10033	0.7
91.05433	0.2
92.04970	0.2
92.86971	0.2
93.04470	0.2
95.04965	1.7
95.06060	1.4
96.04482	1.5
96.06399	0.3
97.02877	1.7
97.06500	0.3
98.06046	2.5
98.97568	0.9
98.98465	0.3
99.04434	0.2
101.00850	0.3
102.05523	0.7
103.03907	0.5
105.03348	0.3
106.02908	6.9
107.04945	100.0
108.05278	3.7
109.05490	0.2
110.07144	1.8
110.97552	0.3
111.06817	0.3
111.07506	0.7
113.03448	0.3
114.05518	4.4
115.03925	1.3
115.06316	1.3
116.07079	1.1
116.98614	0.9
119.01910	2.1
122.06015	0.3
123.04447	25.4
123.05540	95.7
124.03974	1.4
124.04804	0.6
124.05856	1.0
124.07590	0.3
127.03922	0.3
128.98634	0.3
129.10184	0.3
130.05020	0.4
130.08655	0.2
131.01891	0.4
131.05302	0.3
131.08159	0.6
132.06554	35.2
133.04977	2.1
133.07335	1.3
134.08115	16.1
136.07541	0.4
137.02927	1.0
141.06580	0.4
145.03484	0.5
146.99637	0.5
147.03148	0.2
148.06059	1.3
148.09671	0.3
149.06310	0.9
149.08156	0.3
149.09184	0.5
150.05583	0.4
150.06580	2.1
150.07619	13.3
152.07085	0.6
155.01965	0.2
155.08174	0.8
156.07713	0.5
157.03442	0.2
157.88847	0.3
161.02963	0.6
163.12355	0.3
164.08208	0.7
164.12619	0.5
168.03731	0.2
170.99652	0.3
171.02588	0.3
171.05023	0.3
173.02914	0.3
173.06665	0.2
177.04153	0.4
183.05020	0.4
185.02931	0.3
186.09763	0.3
189.03638	0.8
196.07161	5.2
198.04695	0.2
204.05563	0.3
209.10342	0.8
209.14751	1.1
213.03674	0.8
214.09294	0.7
222.73148	0.2
227.11020	0.2
231.04909	0.3
232.10260	1.3
237.02792	0.5
237.12422	0.6
238.08315	0.3
238.10721	3.4
243.05031	0.2
251.04440	0.3
255.04268	0.2
255.10939	7.2
255.13319	0.8
255.15559	2.1
256.03360	0.3
256.09195	0.5
256.11746	8.8
269.05084	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.4
55.05508	6.4
56.05031	50.7
56.96545	2.2
57.03430	1.3
57.07059	1.3
60.04513	3.0
60.27776	0.9
62.06070	1.1
65.03913	2.0
67.05499	32.9
68.05032	2.0
69.03406	1.8
69.07059	6.0
70.02946	6.8
70.04068	0.7
70.06587	6.5
71.04973	3.1
71.59816	1.0
72.04504	1.5
77.00891	1.4
78.00961	1.0
78.97752	0.9
79.05479	15.6
80.05010	1.9
81.03391	1.1
81.07050	31.3
82.06568	9.4
83.04959	1.8
83.08598	3.5
84.04489	1.3
84.08123	3.0
85.02877	1.0
85.06517	2.6
86.06045	1.2
91.05468	11.8
92.05793	1.1
93.07034	19.0
94.06556	2.8
95.01934	0.9
95.04946	2.9
95.08597	13.4
96.02004	0.9
96.08116	8.2
97.06509	4.6
98.06046	2.5
98.09690	0.9
98.97562	1.1
98.98495	3.6
99.08089	1.3
105.07007	5.2
106.06544	1.1
107.04940	13.2
107.08569	8.8
108.05312	1.1
108.08133	1.7
109.06517	2.3
109.10156	8.5
110.09643	2.6
111.08060	1.6
112.07571	1.0
116.98592	1.9
117.06999	3.3
119.08584	1.8
120.04443	1.7
120.08072	1.2
121.06448	1.0
121.10152	3.0
122.09682	1.2
123.08084	1.1
123.11690	1.5
126.09097	0.9
129.06993	0.9
131.08562	5.1
132.04391	1.5
133.10120	6.2
134.09639	0.9
134.99609	1.4
135.11731	5.8
137.09650	1.1
137.13252	1.1
145.46625	0.8
146.97423	1.3
147.11633	1.6
148.03941	1.0
148.11194	1.3
149.13246	9.1
151.11162	1.4
158.99599	0.8
159.11665	6.4
163.03847	1.0
165.12816	0.8
166.15919	1.6
169.99011	1.7
174.99174	0.8
176.14342	3.3
177.12733	45.9
178.13008	0.8
192.93680	1.3
194.08105	0.8
194.15385	67.1
195.13863	1.2
195.15752	1.2
208.16858	0.9
212.16437	82.9
213.16682	1.2
216.11453	4.1
217.10938	0.8
218.15378	3.4
226.08727	0.9
234.12595	1.0
236.06989	1.4
236.16437	14.1
254.08162	9.6
254.13115	6.0
254.17497	100.0
255.17854	2.8
272.14130	7.5
273.13568	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77602	0.5
53.03935	1.0
55.01861	2.0
55.05510	15.1
56.41552	0.4
56.41851	0.5
56.96551	2.1
57.03419	0.7
57.07046	0.9
59.04987	1.0
62.06088	0.5
67.05499	5.4
68.05014	2.2
69.03420	0.7
69.07062	2.6
70.96571	0.6
71.04966	0.8
71.33213	0.7
71.33546	0.6
76.63928	0.6
79.05486	4.3
80.05014	7.3
81.07056	5.0
82.06553	1.3
83.04953	1.2
83.08613	4.4
91.05458	2.0
93.05779	1.3
93.07030	1.5
93.17239	0.5
94.06568	29.2
95.04964	1.1
95.08588	1.6
96.04479	1.5
96.08129	2.4
97.06522	1.9
97.10154	2.4
98.06818	0.7
98.97556	0.9
98.98458	1.9
102.47845	0.7
105.06998	0.7
106.06560	5.7
107.04955	0.7
107.07368	2.8
107.08587	2.3
108.08113	10.9
109.10217	0.9
112.06815	0.9
112.07600	17.2
116.98618	0.5
117.07073	0.6
120.08099	1.3
124.07590	54.1
125.09577	1.1
126.09126	0.8
134.09619	0.8
135.11569	0.6
138.09103	1.2
146.97479	0.8
148.11153	0.7
164.10661	0.6
167.84464	0.5
170.11792	0.6
190.15854	1.0
192.13846	1.1
218.15395	9.8
236.16449	49.9
237.16640	0.9
241.72292	0.5
248.83574	0.5
254.17506	100.0
255.17801	2.6
260.12256	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
55.05506	0.8
56.05029	0.4
56.88124	0.3
56.96554	4.8
58.37255	0.3
67.05493	0.5
69.07056	0.4
70.06579	0.6
70.14891	0.3
71.59862	0.3
71.60278	0.4
72.07743	0.4
72.08145	7.3
74.97589	0.3
79.05486	1.1
81.03416	0.3
81.07040	2.5
84.04491	0.7
84.08108	0.6
86.09692	0.9
91.05468	3.7
93.07030	7.4
93.11349	0.3
95.04984	1.4
95.06084	0.3
98.97556	0.9
98.98461	0.9
103.05457	3.5
107.04931	0.9
108.05265	1.2
116.10730	0.5
116.98585	0.6
120.08070	0.9
120.54520	0.3
121.06489	100.0
122.06809	1.2
124.07629	0.4
133.06401	0.3
134.11736	0.4
136.07561	0.4
143.00165	0.9
158.99625	1.9
161.01245	1.9
169.00198	0.4
177.00687	2.7
179.02269	0.4
187.07544	0.4
192.13808	57.4
193.14182	1.0
197.05731	0.4
205.00211	0.7
207.93774	0.3
215.06990	0.5
236.16420	6.0
248.99110	1.7
254.14055	0.7
254.17480	19.6
255.17464	0.4
267.00229	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.4
55.01866	5.3
55.05510	7.3
56.05038	6.9
56.96560	4.3
66.75906	3.3
68.05022	3.6
69.07059	6.6
70.06586	26.3
70.87206	6.7
72.08144	17.3
79.05470	6.3
80.04999	5.3
81.03414	12.3
81.07054	13.4
82.07390	7.5
83.01838	3.7
84.04507	8.7
84.08139	32.1
84.51143	3.3
86.06104	3.6
86.09700	19.8
91.05467	6.2
95.04980	6.2
98.98463	100.0
105.07046	17.3
107.04945	19.8
108.04554	5.8
108.05267	8.0
110.06052	4.2
110.07143	9.9
116.99510	5.7
120.08097	27.6
121.02867	5.3
121.06516	3.9
121.76849	3.5
129.10226	14.3
131.04913	7.8
133.06476	49.7
134.06015	4.8
136.07541	4.5
146.05995	8.6
162.05452	4.1
176.07181	5.8
188.07146	6.6
218.08076	4.2
254.10214	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	254.087
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04514	7.9
61.02925	8.7
69.65804	21.4
69.66224	7.9
70.06583	12.5
71.01316	10.3
75.04471	17.6
81.03407	9.2
84.08136	6.6
85.00791	4.3
87.04475	6.7
98.98472	66.5
103.03944	21.7
107.04942	13.3
113.64623	4.3
120.08089	7.8
121.08460	7.6
129.10229	4.9
131.03407	6.2
133.87602	4.2
136.07542	4.4
146.05997	7.1
157.32089	4.6
159.02885	72.4
161.74179	4.0
161.95285	4.9
167.08954	6.9
177.00880	4.6
219.05005	100.0
239.80266	4.4
250.22435	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	254.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17970	0.8
51.01336	0.8
55.05509	3.8
56.05025	1.9
57.03424	2.0
67.13380	0.9
68.05034	2.2
70.06568	1.0
71.10876	1.1
71.79974	0.8
78.16017	0.8
79.05500	4.5
81.04539	2.6
81.07052	18.1
82.05315	3.7
83.06097	22.4
93.04528	14.0
95.06081	27.2
98.06049	1.2
98.97598	1.3
98.98457	1.4
107.04960	7.6
107.06076	3.2
108.05240	0.9
110.07158	100.0
111.05540	2.9
111.07460	1.3
112.08703	1.1
119.73151	0.9
121.06541	1.1
121.07616	1.9
123.04382	1.0
130.08679	1.4
134.99695	1.0
148.07623	1.5
148.09660	1.2
156.07669	3.0
163.12286	46.0
180.12569	2.7
181.13347	1.9
190.13397	19.8
193.13390	5.1
195.11285	1.1
208.14429	61.9
209.12871	3.2
209.14723	1.7
210.16035	1.4
219.11324	1.0
236.06624	1.5
236.13884	1.7
254.14975	87.2
255.15144	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07645	0.3
52.16969	0.3
53.03941	2.2
54.24355	0.3
55.01852	0.4
55.05497	0.4
56.96564	0.6
57.03417	0.3
67.05479	0.6
69.03418	0.5
69.07076	0.5
69.83619	2.1
70.04056	0.7
70.95850	0.4
72.93782	0.3
77.03914	0.6
79.05473	0.4
81.03423	0.4
81.07041	0.8
84.08136	0.4
85.02888	1.0
91.04891	0.4
91.05470	10.4
93.07034	16.7
95.04957	4.1
97.02869	0.3
98.98463	0.8
103.05455	12.8
105.04487	1.0
105.05166	0.3
107.04955	0.6
107.08576	0.4
112.98306	0.4
116.22680	0.3
116.98589	0.4
118.06557	1.3
119.07314	1.6
121.06490	100.0
122.06808	1.1
134.09637	49.1
135.09967	0.9
146.97404	0.5
181.44299	0.3
208.54443	0.3
219.25154	0.3
231.05186	0.3
237.53673	0.3
254.15370	44.2
255.15712	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01132	0.5
53.03937	1.1
55.01872	1.3
55.05508	10.6
56.96563	60.3
57.03444	3.3
57.07071	3.3
65.03905	0.6
67.05501	18.7
69.07067	12.7
70.26290	2.4
71.04982	2.3
71.08638	0.8
71.95261	8.6
72.96044	3.0
74.97606	1.3
79.05489	8.2
81.03413	2.7
81.06576	1.3
81.07053	19.8
83.04970	2.1
83.08617	10.2
84.08125	0.8
84.96022	1.4
85.06533	2.4
86.09737	0.6
91.04897	0.8
91.05477	15.1
91.06020	1.2
93.07039	8.0
95.04962	2.0
95.08604	16.3
97.02899	1.3
97.06523	3.3
97.10167	5.1
97.96851	0.6
98.21407	0.7
98.98462	100.0
99.08091	1.4
100.98884	1.2
103.05476	0.8
105.00174	0.8
105.07022	7.4
106.88010	0.6
106.98006	0.6
107.04938	4.0
107.08595	5.0
109.06496	1.5
109.10147	7.4
110.97551	0.8
111.08081	2.2
111.11697	1.9
116.98600	1.2
116.99498	6.2
117.07006	1.2
119.08582	5.0
121.10139	6.5
123.01197	2.4
123.08082	0.8
123.11694	2.6
125.09630	1.4
128.06172	0.9
128.98618	4.8
129.06973	0.6
131.04961	3.2
131.08539	0.7
133.10123	6.6
135.11685	5.6
137.02744	2.5
137.09636	1.0
137.13222	1.4
139.11185	1.0
140.01068	1.1
140.98486	1.1
141.02231	1.8
143.00046	1.0
143.08598	1.0
146.99597	5.3
147.11693	2.9
149.13277	1.1
151.04248	0.8
151.11134	2.0
153.02058	0.8
155.03830	3.6
155.08592	1.1
156.55687	0.6
161.09608	1.5
161.13257	2.0
165.00647	1.2
165.06975	0.9
165.12691	0.8
169.01727	0.7
169.05414	3.1
169.06636	0.7
174.99080	2.6
175.14850	1.3
176.98946	1.0
179.10677	0.9
183.03374	0.9
184.07317	0.7
185.04811	0.6
185.09633	0.9
187.02827	0.7
189.00610	3.0
190.96280	0.7
193.19542	1.6
195.06847	1.7
197.08405	1.3
197.11723	1.8
201.00542	0.6
207.17574	0.6
213.07860	0.6
217.19415	4.0
223.09969	0.7
225.09209	1.2
225.16364	0.6
235.09958	6.0
235.20543	3.1
253.11104	68.0
253.15845	2.0
253.21605	3.9
254.11328	1.8
271.12158	69.0
272.12585	2.8
274.01099	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26628	1.2
55.05274	1.3
55.05513	19.7
57.03425	2.5
57.07075	100.0
67.05504	39.1
69.07068	15.2
71.04993	2.4
71.08631	86.3
72.08960	1.2
73.06561	6.6
79.05491	3.4
81.07056	69.6
83.08621	11.2
85.06539	2.8
85.10138	1.5
93.07043	1.5
95.08607	29.9
97.10172	11.4
98.20782	2.8
98.98466	73.4
99.08088	1.4
105.07019	1.2
109.10154	22.0
111.11717	5.6
116.99493	4.1
122.36526	1.0
123.11703	24.4
125.13251	1.3
127.11207	1.3
131.04829	1.3
137.13252	4.4
137.53300	1.1
140.01079	1.1
141.12741	51.9
143.95779	1.2
151.14854	1.7
161.13177	1.4
165.16496	1.8
169.15891	2.8
176.98900	1.4
179.10602	1.2
213.69002	1.0
235.24451	5.2
235.26253	1.1
245.40981	1.1
253.25270	15.0
254.10184	2.9
254.25079	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0325
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	0.2
65.03947	0.2
67.59518	0.1
69.07041	0.1
70.04073	100.0
71.03806	0.1
71.04400	0.2
71.59168	0.1
81.07064	0.2
81.11748	0.1
81.42063	0.1
82.65773	0.1
84.08167	0.1
87.00038	0.3
94.04173	0.3
95.05016	0.1
95.47684	0.1
98.98479	0.4
100.07613	0.2
111.00033	0.1
111.04462	0.4
111.99983	0.2
113.01559	0.4
121.00474	0.8
129.01021	2.0
129.01898	0.1
130.00992	0.1
132.51372	0.1
138.99467	0.5
139.00601	0.6
141.01018	0.7
143.01801	0.3
155.72063	0.1
157.00539	0.3
162.19257	0.1
166.98941	1.7
167.00230	0.1
172.01062	0.2
177.00246	0.3
177.05582	0.1
185.00055	0.1
199.01680	0.1
217.02586	0.6
228.53529	0.1
254.03284	1.1
254.24727	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1798
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
51.01630	0.5
53.17390	0.4
55.01873	30.2
55.05510	3.3
56.96566	44.0
57.03449	0.6
57.07068	1.4
67.05501	5.4
69.03429	1.2
69.07069	2.5
70.06601	0.6
71.04634	0.7
71.04994	6.2
71.59409	0.7
71.95266	5.4
72.96036	2.4
73.00351	0.4
74.97599	1.3
76.48515	0.5
76.87371	0.4
79.05494	3.9
80.34597	0.5
80.36409	0.4
81.03423	0.9
81.07058	6.3
83.05004	0.6
83.08606	1.5
84.96022	0.7
85.06541	0.8
91.05478	3.1
92.98655	0.7
93.07021	2.4
94.06564	1.1
95.04962	1.2
95.08610	4.5
97.06529	100.0
97.10111	0.8
97.60329	0.5
98.06837	0.8
98.98466	65.1
100.98872	0.7
105.07023	2.0
107.04961	2.5
107.08601	2.0
108.08138	0.6
109.06489	1.3
109.10161	2.1
110.97510	0.6
111.08067	1.3
112.07581	0.6
116.99494	3.5
119.08585	1.6
121.10128	1.9
123.01190	1.5
123.08028	0.8
123.11691	0.9
124.07590	2.7
128.98581	1.4
129.06964	0.8
131.04929	2.2
131.08572	0.9
133.10060	1.4
135.11694	1.1
136.10263	0.5
137.02699	1.2
137.09616	0.8
140.01059	0.6
140.94662	0.4
141.02228	1.1
146.99635	2.0
147.11723	1.0
149.09605	0.5
155.03795	2.7
155.08519	0.6
157.10057	0.7
159.08070	0.5
161.01210	0.8
161.09621	0.5
161.13292	0.5
169.05370	1.6
171.11682	0.5
174.99168	1.3
176.98936	1.1
177.04434	0.5
178.07693	0.7
182.07359	0.5
193.06564	0.6
195.06921	1.1
197.08345	0.9
197.11737	1.5
199.14917	0.5
201.04239	0.5
207.07813	0.6
207.59764	0.5
213.86197	0.5
221.06033	0.8
223.10037	2.1
235.07478	1.6
235.10060	1.6
235.16916	2.6
236.16498	2.6
241.11105	21.8
253.08847	1.7
253.11101	28.6
253.15817	1.7
253.17984	20.2
254.11563	0.9
254.17642	3.9
259.12177	32.9
260.12540	1.4
264.12714	2.8
271.12164	44.1
272.12430	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1797
Annotation	Cheimonophyllon C
Peak:m/z	Relative Intensity
53.03951	1.4
55.01862	2.4
55.05507	7.5
56.96565	2.2
57.03420	4.1
57.07077	14.4
62.99372	1.3
67.05498	22.0
69.03424	100.0
69.07070	11.6
71.04990	3.6
71.60011	2.4
72.93778	3.2
78.99531	1.4
79.05484	10.7
81.07052	27.2
83.04957	3.1
83.08609	5.6
85.06532	3.2
86.09701	4.3
87.10013	1.4
88.96949	1.4
90.94808	2.8
91.05473	20.1
93.07045	14.3
95.04967	4.6
95.08604	16.7
97.06535	5.8
97.10149	2.7
98.98456	35.3
99.08070	2.9
105.07013	17.7
105.07648	1.3
107.04940	4.9
107.08583	12.2
108.05288	4.3
109.06528	4.9
109.10137	11.5
111.08094	2.1
117.06989	1.9
119.08589	9.0
120.69077	1.3
121.06493	2.2
121.10134	6.9
123.08066	5.2
123.11676	3.1
125.09698	2.2
127.07549	2.2
128.96390	3.3
129.07083	1.3
131.08592	4.1
133.10109	23.2
135.11687	1.3
137.01520	4.5
137.09593	3.6
138.99460	10.6
139.03090	1.5
141.02959	1.4
143.08456	1.3
146.97458	8.3
147.11823	2.4
149.09598	2.9
149.13272	1.6
151.11192	10.1
152.05124	1.3
152.06218	6.0
155.02586	4.4
157.10117	2.1
161.09627	2.0
161.13329	2.0
165.07002	8.5
166.07813	2.0
169.99075	6.4
175.11136	2.9
175.14864	1.6
176.98665	1.6
179.08586	9.4
179.14453	1.6
180.09314	12.7
181.06447	12.4
181.10054	3.6
187.03073	1.8
188.03778	1.7
189.16364	3.5
190.03633	1.9
195.03102	1.3
197.11774	3.5
199.14807	5.5
206.98863	3.1
207.17480	2.4
210.13994	1.7
215.02640	4.8
215.06242	4.3
216.03262	1.6
216.06746	1.5
217.02296	5.2
217.05925	5.2
217.15868	5.0
218.02846	2.1
235.08846	2.7
235.16882	22.8
238.46695	2.0
252.99971	17.1
253.03583	4.1
253.09961	14.9
253.14349	6.6
253.17992	2.7
271.06329	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	253.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.01871	1.2
55.05253	0.9
55.05507	8.6
56.96560	2.8
57.03191	0.9
57.03437	12.2
57.07060	2.2
57.76696	0.7
65.03926	1.6
67.05502	35.2
69.03438	0.9
69.07064	7.0
70.06583	0.8
71.04977	2.3
71.58477	0.6
71.95290	0.6
72.08133	1.3
73.02929	0.7
79.05489	14.9
81.03419	1.6
81.07053	30.7
83.04977	2.0
83.08627	4.7
84.08135	1.0
85.06538	2.5
86.09699	1.6
91.05479	56.8
92.05841	0.8
93.03423	0.7
93.07043	11.8
95.04956	4.8
95.08602	28.6
97.02876	0.9
97.06531	3.0
97.10172	1.9
98.98464	100.0
99.04463	0.6
99.08068	0.7
100.98874	0.8
103.05463	0.8
104.10735	2.1
105.07026	26.0
107.04963	8.7
107.08588	4.8
108.05322	0.7
109.06524	1.6
109.10148	3.8
111.08059	1.2
112.11203	0.6
116.99505	5.2
117.07008	3.8
117.83733	0.7
119.03461	1.0
119.08578	9.8
121.06528	1.0
121.10134	2.5
123.08035	1.2
123.11723	0.9
127.01730	0.6
128.06230	1.7
129.05579	0.6
131.04922	5.6
131.08577	3.6
133.10129	56.6
134.99626	0.6
135.11696	3.2
137.09573	0.9
137.13310	0.9
138.52975	2.1
140.01045	1.4
141.05470	0.7
143.08553	3.2
146.97400	0.8
147.04385	0.7
149.01230	1.2
151.11169	3.5
157.53783	1.7
161.09628	10.5
161.13234	5.0
165.06972	0.6
167.08720	0.7
172.95331	0.9
174.99213	1.8
176.98949	1.1
178.07828	2.3
179.08574	2.0
179.10684	1.4
179.14310	1.4
184.07361	1.5
185.09506	1.0
195.07990	0.7
197.05983	1.7
197.09685	1.1
197.11754	2.0
207.08080	2.3
210.06815	1.9
214.20660	0.6
215.11264	0.6
225.09087	4.2
235.17024	0.6
240.09998	0.8
253.08687	6.3
253.11974	1.1
253.14389	11.2
253.18028	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	253.1183
Annotation	3061-88-9
Peak:m/z	Relative Intensity
53.03922	0.5
53.12969	0.3
56.05036	0.6
57.85846	0.4
67.76005	0.3
69.88300	1.9
70.06582	0.3
79.05489	0.6
84.04504	20.4
85.02897	0.9
91.11352	0.3
94.54564	0.3
95.04956	0.7
98.98478	1.0
101.07140	3.1
102.05532	1.1
107.04950	100.0
108.05286	1.4
113.19007	0.3
117.86224	0.3
124.07606	1.0
130.05002	33.1
131.65300	0.3
134.06017	0.5
136.06187	1.0
137.06631	0.7
146.11777	0.5
147.07637	13.6
152.07085	0.9
207.11313	1.0
232.77396	0.3
236.09187	0.8
253.11823	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	253.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06640	1.3
55.05514	8.5
56.96563	1.5
57.03447	8.7
64.23198	1.3
66.89153	1.2
67.05508	24.1
69.03406	1.7
69.07053	7.2
69.46463	2.6
69.46870	7.5
70.51225	1.1
71.04994	2.5
72.08153	1.3
75.42599	1.1
77.00930	1.5
78.25809	1.2
79.05492	10.7
81.07063	26.5
82.26273	1.5
83.08631	2.3
84.08092	1.7
85.06521	1.4
88.20832	1.4
91.05472	9.1
93.06648	1.0
93.07063	9.9
95.04980	1.8
95.08051	2.1
95.08605	23.5
96.90096	1.3
97.06562	2.7
97.10162	1.8
98.98468	83.4
105.07030	5.6
105.79036	1.2
107.04962	3.1
107.08591	2.1
109.10162	2.5
116.99512	3.4
119.08563	8.1
124.52782	1.3
131.04845	1.3
133.10126	4.9
135.11711	2.2
161.13271	4.0
197.11823	2.1
198.63770	1.4
201.09898	1.8
208.89607	1.4
217.13091	1.4
219.10741	1.6
253.14157	100.0
253.17929	10.9
264.47031	1.3
271.14008	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	253.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16341	0.7
52.88187	0.6
52.89160	0.6
53.03942	2.1
55.01870	1.8
55.05509	6.0
56.82535	0.5
56.96555	2.0
57.03436	10.5
57.07080	3.1
57.07353	0.5
63.66602	0.7
64.87460	0.6
65.03942	2.0
67.05502	33.7
69.03418	1.5
69.07070	4.0
70.06586	0.7
71.04984	2.1
71.08633	1.7
71.58389	0.7
72.08142	0.8
73.06503	0.7
79.05495	14.5
81.03411	2.0
81.07052	18.2
83.04958	1.9
83.08618	2.4
84.08152	1.1
85.06549	1.9
86.09710	1.0
91.05479	73.9
92.05803	1.0
93.07047	9.5
95.04961	8.8
95.08604	11.5
97.02885	1.4
97.06535	2.2
97.10164	0.7
98.98465	100.0
100.98883	1.5
103.05470	5.4
104.10718	0.9
105.07030	33.2
107.04951	28.9
107.08604	4.3
108.05279	1.6
109.06527	3.3
109.10171	4.4
110.97604	0.6
111.04410	1.1
111.08075	1.0
112.46523	0.6
115.05440	1.1
116.98695	1.3
116.99500	5.6
117.07055	3.8
119.03403	1.5
119.04912	1.3
119.08555	7.5
121.06468	1.0
121.10152	1.7
123.04414	3.1
123.08062	0.9
123.11737	1.1
128.02321	0.6
128.06209	1.9
129.07013	1.4
131.04929	49.5
131.08568	4.4
132.05679	2.5
133.10126	83.3
134.99628	1.3
135.08044	1.3
135.11646	2.9
137.09660	1.0
138.52946	0.8
141.05487	1.2
141.06956	1.2
143.08553	5.1
149.09558	0.6
151.11156	4.4
157.10149	0.7
157.40152	0.6
159.04411	1.5
159.08055	1.2
161.09624	14.5
161.13214	2.5
164.98430	1.5
165.07050	1.2
167.08553	1.2
169.10089	0.7
171.07964	0.9
171.11777	0.7
174.99207	1.3
178.07756	4.0
179.08577	6.2
179.10648	2.7
179.14201	0.9
181.06459	2.6
182.07240	4.2
184.07318	1.4
185.03848	1.5
189.12747	1.5
193.12227	0.8
197.09596	4.5
197.11722	4.1
202.97058	0.7
205.06665	0.7
207.08008	3.3
207.13681	0.8
210.06786	4.1
217.12338	0.8
221.05743	0.7
223.07483	2.2
224.08307	1.8
225.09117	12.0
230.07845	1.2
235.13329	3.0
235.17079	0.9
248.08820	0.9
249.02855	0.9
253.08633	16.5
253.11850	1.3
253.14253	19.6
253.18010	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	253.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67275	0.5
56.05021	2.0
56.47673	0.4
56.63166	0.5
56.96558	1.5
57.15863	0.5
57.36351	0.5
57.44239	0.5
60.04501	0.6
60.40876	0.5
68.05016	2.3
69.03436	0.5
69.07047	0.9
70.06590	6.6
71.58269	0.4
72.08144	0.6
73.66194	0.5
79.05475	1.6
81.03353	0.6
81.07041	0.5
83.06092	1.8
84.04500	60.3
84.08133	2.0
84.69283	0.6
85.02897	1.1
85.07674	2.8
86.09696	4.4
95.04955	1.8
95.06074	1.2
98.06036	0.6
98.98489	2.4
101.07145	6.0
102.05539	2.0
107.04949	100.0
108.05284	3.9
110.07153	1.8
116.07063	2.4
117.80911	0.5
123.04420	7.3
130.04996	77.4
131.08156	4.9
134.06087	0.6
138.02998	1.4
146.08087	0.5
146.11757	0.6
147.07635	74.9
148.05992	1.3
226.04044	0.6
236.06648	3.8
253.09409	1.0
253.11809	3.2
254.03650	0.8
254.10225	0.7
254.14922	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.8
55.05518	1.2
56.96563	98.5
57.03436	0.6
57.07066	2.4
61.84138	0.5
67.05505	3.9
69.03419	0.9
69.07071	1.6
70.06596	0.8
70.20244	2.9
71.04990	1.2
71.95263	13.7
72.96037	4.4
74.97603	2.2
79.05486	2.6
81.03405	0.8
81.07053	4.5
83.08624	1.2
84.08137	0.6
84.96033	2.1
91.05482	1.9
92.98666	1.2
93.07046	2.1
95.04983	1.3
95.08608	3.8
97.06526	12.2
97.96785	1.1
98.98462	98.4
99.64921	0.7
100.98876	0.9
103.05450	0.6
105.00163	1.4
105.07018	1.6
107.04977	1.7
107.08569	1.0
107.20676	0.6
109.06494	0.7
109.10165	1.6
110.19042	0.7
110.97590	1.9
115.97849	0.8
116.99477	4.2
119.01751	0.8
119.08581	0.9
123.01179	2.8
123.08112	0.6
123.11708	0.6
128.06306	0.6
128.98581	2.9
131.04918	1.4
133.01743	0.7
137.02779	3.5
137.09578	0.5
140.01080	1.4
141.02255	2.7
141.05418	0.7
145.01682	0.6
146.99614	5.2
151.04271	1.6
151.11203	0.7
155.03775	5.8
155.65553	0.6
159.03264	1.0
159.08083	0.7
163.02773	0.7
165.00731	1.4
167.03790	1.0
169.01680	0.8
169.05392	3.2
173.04820	1.2
173.72554	0.5
174.99202	1.0
176.98950	1.4
177.05893	0.9
179.07350	0.9
180.81715	0.6
183.06917	0.9
187.02817	1.1
195.06917	2.3
197.08551	2.3
197.11629	1.5
201.04242	0.5
207.10574	1.0
221.05983	1.1
223.10023	5.2
225.11418	1.0
235.07686	1.1
235.10052	4.3
235.16867	0.8
241.11101	54.3
242.11375	1.1
253.11101	73.7
253.18013	2.1
254.11559	1.5
259.12173	83.4
260.12509	2.2
264.12714	7.0
271.12155	100.0
272.12369	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0819
Annotation	5-Hydroxy-N-formylkynurenine
Peak:m/z	Relative Intensity
57.07067	1.6
60.04504	1.5
67.05540	1.4
68.05028	1.5
68.50902	1.6
70.06561	2.1
70.07042	6.6
70.75078	1.2
74.02438	4.4
79.05482	3.8
80.05022	1.3
81.07051	2.6
82.06560	1.6
84.04515	1.5
91.05486	2.3
92.05063	1.4
93.18388	1.6
96.04488	1.6
98.98465	100.0
100.98894	1.6
106.06538	6.1
107.04945	4.2
108.62273	1.3
110.06046	4.9
111.04449	1.7
116.99509	3.8
118.06549	3.7
120.04469	4.0
120.08064	2.7
124.03944	2.1
126.05466	1.9
133.07635	3.0
134.06009	27.9
136.03943	5.4
136.07596	2.0
144.04428	3.2
145.07622	2.4
146.06015	47.3
147.04443	2.3
147.87553	1.3
148.03979	3.7
152.07048	2.3
158.05972	1.9
161.04655	1.6
161.07086	9.6
162.05504	71.7
163.06194	2.1
163.08641	1.6
164.03433	20.6
166.04857	1.6
172.03902	2.0
173.07108	5.7
174.05585	2.6
175.08722	2.0
179.08090	2.1
180.06566	4.7
188.07295	1.6
189.06541	8.4
190.04958	16.1
191.08185	2.5
197.11707	2.6
203.05751	3.9
207.07652	34.7
208.06062	2.5
218.04546	2.5
219.07713	2.8
220.08492	8.7
225.08766	2.8
235.07104	9.3
236.05490	4.2
236.07912	4.0
253.08234	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.8
55.05518	1.2
56.96563	98.5
57.03436	0.6
57.07066	2.4
61.84138	0.5
67.05505	3.9
69.03419	0.9
69.07071	1.6
70.06596	0.8
70.20244	2.9
71.04990	1.2
71.95263	13.7
72.96037	4.4
74.97603	2.2
79.05486	2.6
81.03405	0.8
81.07053	4.5
83.08624	1.2
84.08137	0.6
84.96033	2.1
91.05482	1.9
92.98666	1.2
93.07046	2.1
95.04983	1.3
95.08608	3.8
97.06526	12.2
97.96785	1.1
98.98462	98.4
99.64921	0.7
100.98876	0.9
103.05450	0.6
105.00163	1.4
105.07018	1.6
107.04977	1.7
107.08569	1.0
107.20676	0.6
109.06494	0.7
109.10165	1.6
110.19042	0.7
110.97590	1.9
115.97849	0.8
116.99477	4.2
119.01751	0.8
119.08581	0.9
123.01179	2.8
123.08112	0.6
123.11708	0.6
128.06306	0.6
128.98581	2.9
131.04918	1.4
133.01743	0.7
137.02779	3.5
137.09578	0.5
140.01080	1.4
141.02255	2.7
141.05418	0.7
145.01682	0.6
146.99614	5.2
151.04271	1.6
151.11203	0.7
155.03775	5.8
155.65553	0.6
159.03264	1.0
159.08083	0.7
163.02773	0.7
165.00731	1.4
167.03790	1.0
169.01680	0.8
169.05392	3.2
173.04820	1.2
173.72554	0.5
174.99202	1.0
176.98950	1.4
177.05893	0.9
179.07350	0.9
180.81715	0.6
183.06917	0.9
187.02817	1.1
195.06917	2.3
197.08551	2.3
197.11629	1.5
201.04242	0.5
207.10574	1.0
221.05983	1.1
223.10023	5.2
225.11418	1.0
235.07686	1.1
235.10052	4.3
235.16867	0.8
241.11101	54.3
242.11375	1.1
253.11101	73.7
253.18013	2.1
254.11559	1.5
259.12173	83.4
260.12509	2.2
264.12714	7.0
271.12155	100.0
272.12369	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	252.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.7
53.98900	0.5
55.05487	0.6
56.96554	1.0
57.07073	55.1
67.05482	0.9
69.07055	2.1
69.31406	6.7
70.04076	5.2
70.15969	0.5
79.05486	4.2
81.07048	6.7
83.04870	1.3
85.04021	2.4
91.05480	0.7
95.05008	0.7
95.08608	1.1
97.06404	1.2
98.20741	1.0
98.98463	10.4
99.08089	7.9
105.07025	0.9
107.04955	1.1
107.08559	0.7
109.10148	1.0
111.07932	1.8
121.06413	0.8
124.08714	1.7
127.01237	8.4
133.10130	0.7
134.07129	1.2
135.07898	1.1
136.08690	20.8
145.96680	1.6
146.97435	1.8
148.08684	11.0
149.09460	2.8
150.10226	2.6
154.09740	24.3
155.02644	1.0
163.97704	4.8
168.11322	13.9
169.99007	0.8
181.98779	2.4
205.98756	9.2
209.15283	0.9
216.14961	1.0
229.00381	2.7
229.07423	2.8
234.15999	41.8
235.16289	0.9
247.08502	2.5
252.07076	9.2
252.17058	100.0
253.14351	0.7
253.17366	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.3
56.96530	0.6
57.07073	4.0
58.65506	0.3
67.05486	0.7
68.62671	0.3
69.07060	1.5
70.10236	0.8
70.10633	0.8
70.81968	0.3
72.08112	0.7
75.00043	0.4
79.05448	1.1
81.07018	1.4
82.04027	0.3
85.04027	1.8
91.05447	1.2
93.07040	0.8
94.06572	2.0
94.07071	0.4
94.07343	0.3
95.04935	0.5
98.98472	3.0
99.08062	0.9
100.13300	0.4
101.27929	0.3
102.84734	0.3
105.06993	0.7
109.07594	1.0
110.06023	0.3
110.07120	1.4
111.07910	1.1
121.07594	0.5
122.08369	1.3
124.08653	1.4
125.09466	0.8
136.08696	7.2
145.34053	0.3
145.96616	0.8
146.97392	1.2
148.08684	15.0
149.09509	2.4
150.10182	0.6
154.09737	5.8
163.97722	1.9
166.00446	0.5
169.99022	0.9
178.09717	1.0
181.98767	0.5
193.04117	1.2
194.12891	6.7
205.98769	4.5
208.14435	15.7
209.15216	18.4
216.14973	0.4
219.13617	1.3
229.00302	1.4
229.07431	1.6
234.15991	53.9
235.16389	0.9
247.08542	1.2
252.17050	100.0
253.17369	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.05508	4.2
56.01595	0.6
56.05029	1.3
56.96557	1.4
59.05000	0.8
60.04528	3.8
69.03421	0.8
70.02952	0.9
70.06602	4.7
71.57170	1.1
72.08157	3.4
79.05495	1.1
80.05009	0.7
81.07053	0.6
83.04988	1.6
83.53918	0.6
84.04504	2.1
84.08145	10.0
85.02906	1.1
86.09705	5.1
91.05487	1.0
93.53144	0.6
94.04074	0.9
95.04955	1.9
98.98466	62.5
99.00861	0.9
100.98891	0.6
101.06016	5.4
107.04954	100.0
108.05308	1.2
110.07162	1.9
114.47643	0.6
115.56316	0.7
115.99476	0.7
116.98669	0.7
116.99491	2.5
119.03553	1.3
120.08102	7.8
121.05118	8.0
128.10706	1.9
129.10233	2.5
130.04947	0.8
130.08612	0.9
135.06662	7.1
136.06190	31.7
137.04630	1.6
140.01091	1.0
146.11758	41.1
148.06187	9.1
155.05695	0.6
160.06212	5.2
162.07750	68.3
163.08139	0.9
164.05698	0.9
166.08656	3.7
176.98929	0.9
181.02592	0.6
182.73488	0.8
188.05676	14.7
188.07330	0.8
192.03444	1.4
192.05157	23.2
192.06892	1.4
193.05388	0.9
206.06735	9.6
234.06221	9.6
235.15657	1.0
252.07263	56.6
252.15930	4.4
253.07455	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76771	0.2
52.77560	0.2
53.03967	0.4
55.05552	1.9
55.93538	0.3
56.05047	0.4
56.96575	0.3
57.03474	0.5
58.86349	0.2
59.88081	0.2
61.08221	0.3
67.05524	0.4
68.05038	0.3
69.03439	0.7
69.07094	0.3
70.06588	4.0
71.05010	0.3
71.59303	0.3
71.59685	0.4
72.08145	2.5
79.05489	1.8
79.14994	0.3
81.03430	0.4
81.07044	3.8
82.06581	2.2
83.05015	0.6
84.04531	0.8
84.08186	1.2
85.02924	0.3
86.06050	2.7
86.09742	1.1
87.04466	0.4
88.04036	0.4
90.03222	0.2
91.05474	1.9
93.07041	2.2
94.04027	1.5
95.05002	0.9
95.06071	0.3
98.06044	8.3
98.06645	0.4
98.97576	0.3
98.97806	0.4
98.98456	3.8
100.07610	5.3
103.05490	1.0
107.04947	18.2
107.08620	0.4
108.05309	1.1
109.05175	0.3
110.06028	2.6
110.07218	0.3
112.11222	0.4
112.97456	0.2
114.47172	0.2
119.03537	1.8
120.08102	0.8
121.06499	13.9
121.10151	0.6
122.70863	0.2
123.26860	0.3
126.05519	1.4
128.07072	2.7
129.10233	0.3
129.13834	0.5
131.08531	0.4
132.10158	1.3
134.04437	0.3
136.06175	100.0
137.04576	2.8
137.05637	0.4
145.96692	0.5
146.08107	13.5
146.16467	0.5
146.97409	1.1
149.09630	1.8
149.13333	0.3
152.05678	0.4
152.90581	0.3
154.08617	0.6
163.97707	1.0
166.12140	0.5
169.99034	0.8
179.43080	0.3
181.98720	0.3
192.13846	2.0
205.98813	2.2
206.08046	0.6
206.15298	0.4
216.14378	0.3
219.87599	0.4
224.16342	0.9
229.00256	0.7
232.66550	0.3
234.13451	15.2
235.13615	0.3
252.14365	43.0
253.14638	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.4
53.08051	0.3
53.35183	0.3
55.05500	3.0
56.96562	0.4
59.04984	0.5
66.15401	0.4
70.06583	0.7
71.56648	0.4
73.02931	0.4
79.05480	1.1
81.84483	0.4
83.04955	1.5
84.08147	2.7
85.02902	0.6
88.03986	0.7
95.04965	1.0
98.97592	0.4
98.98454	0.9
101.06012	7.5
106.05019	0.5
107.04946	100.0
108.05288	0.8
116.07102	0.5
116.98595	0.6
128.10727	1.8
138.09109	0.5
144.10219	0.5
146.11748	46.6
163.02167	0.9
166.08600	0.4
171.04231	1.0
200.61983	0.4
204.70976	0.4
252.15974	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	252.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01855	0.4
55.05509	3.7
59.04985	0.8
69.03436	0.6
70.06592	0.4
70.51933	0.9
73.02908	0.4
79.05491	1.0
83.04986	1.9
84.08132	3.0
85.02880	0.6
87.04456	0.3
94.06549	0.6
94.92992	0.3
95.04967	1.3
97.02885	0.5
98.97592	0.6
101.06009	6.7
106.82515	0.3
107.04944	100.0
108.05255	0.7
119.01860	0.6
128.10689	2.3
136.06166	0.3
144.10179	0.5
146.11745	44.6
171.04117	1.1
178.42976	0.4
242.93079	0.3
252.15935	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	252.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
56.96560	1.1
66.69785	0.3
67.05492	0.5
70.89502	0.7
70.89860	0.5
72.08146	0.4
73.02882	0.4
75.68515	0.3
77.03926	0.3
79.05490	1.2
81.03392	0.6
81.07038	0.5
84.08157	0.3
91.05486	0.9
93.07026	0.6
95.04975	1.8
98.97594	0.6
98.98447	1.5
107.04947	94.5
108.04596	0.3
108.05239	1.5
110.06852	0.4
116.98639	0.3
118.07349	0.3
121.06499	2.4
131.00171	0.5
143.05460	0.4
146.05997	100.0
147.06354	1.6
149.01199	1.0
158.99672	0.4
163.97696	0.5
164.11580	0.5
167.02245	0.4
171.06720	0.6
180.07141	0.4
188.11505	0.5
205.98831	1.4
216.11035	0.4
251.58727	2.1
252.10287	3.7
252.15993	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.9
55.93523	1.0
56.96569	1.1
57.07071	0.9
58.06589	1.2
68.63529	0.8
69.03423	1.1
69.07052	1.0
70.06590	2.3
71.54960	1.3
72.08161	7.9
72.93801	0.8
75.09247	1.0
81.03414	1.4
81.07076	1.3
84.08145	1.6
85.02904	1.2
86.09682	2.4
86.61387	0.7
87.04469	34.0
91.05491	3.8
93.07033	3.6
95.04961	0.9
98.98471	15.7
103.05461	2.2
105.06950	0.8
107.04958	18.2
112.11251	1.9
119.04937	1.1
120.08086	1.5
121.02858	1.0
121.06495	21.6
125.05927	0.8
136.06187	25.5
138.09131	96.7
145.96619	1.1
146.02959	2.2
146.11751	1.9
146.16505	2.5
146.97412	3.3
147.04407	2.1
153.72881	0.8
163.02148	1.7
163.97704	1.7
166.08632	100.0
167.08871	1.1
169.98993	2.2
175.03859	0.9
181.13377	1.2
181.98811	1.2
205.98770	5.8
206.08270	1.1
208.13316	7.4
219.87613	1.6
227.97150	1.0
228.98035	1.8
229.00304	1.1
252.09361	3.0
252.12282	18.6
252.15895	5.1
252.20486	1.0
252.23045	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.8
56.05038	1.1
56.96546	1.2
58.06598	0.7
60.04510	2.6
66.04217	0.6
70.02949	1.7
70.06593	4.5
71.58024	1.1
72.08150	3.6
79.05476	1.1
83.04965	1.0
84.04499	1.9
84.08147	11.9
85.08462	0.7
86.09714	6.0
91.05455	1.1
94.04031	1.5
95.04937	0.9
98.98466	72.5
99.00813	2.0
101.06003	4.7
107.04957	73.4
108.05257	1.4
112.05054	1.0
116.99529	3.6
119.03564	3.1
120.08102	4.3
121.05116	11.2
128.10698	1.6
129.10254	1.9
130.08620	1.1
135.06659	12.3
136.06186	44.4
137.04593	3.2
146.04657	1.0
146.11761	28.7
148.06186	17.4
160.06178	8.3
162.07753	100.0
164.05690	2.0
166.08658	1.7
174.99152	0.9
175.11908	0.7
188.05693	21.0
188.07355	1.3
192.05165	36.5
206.06715	13.1
206.08461	1.2
234.06203	13.5
252.07289	86.5
252.15968	5.3
252.20483	0.9
253.07602	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95861	0.6
55.05515	1.1
55.79677	0.5
56.05031	1.1
56.96565	1.2
57.07067	0.6
58.06608	0.8
66.67938	0.5
67.05507	1.8
69.07063	0.7
69.92029	3.5
70.06581	3.1
71.04996	0.6
72.08141	2.3
74.40611	0.6
76.02216	1.2
79.05495	1.3
81.03402	1.0
81.07039	1.5
84.04499	9.5
84.08150	5.4
85.04162	0.4
85.04321	0.6
85.04841	6.0
86.09708	3.2
86.99060	0.6
87.00837	2.2
91.05481	3.2
93.07039	3.0
95.08633	0.9
97.44689	0.7
98.06069	0.7
98.21376	0.7
98.98466	41.6
100.07620	0.6
103.05465	10.6
105.00086	0.7
105.07003	1.3
106.00462	0.7
107.04953	12.4
107.08556	0.8
108.05279	5.0
109.10170	0.8
110.07176	1.0
112.11242	1.1
116.98653	1.0
116.99501	2.6
118.06542	9.1
119.04939	0.6
120.08108	100.0
121.06496	1.3
121.08482	1.8
122.02711	4.0
123.03049	1.7
128.04942	1.6
128.98564	0.7
129.10286	1.2
130.05017	2.5
130.06529	0.6
131.05023	3.2
132.05734	0.7
134.99626	0.8
135.02649	1.2
136.06187	15.5
143.03551	1.2
145.06503	0.7
146.06006	17.2
146.07089	1.1
147.06779	0.9
148.07552	1.1
148.17831	0.6
150.01436	0.9
157.06465	0.9
158.06906	0.9
160.07567	1.0
163.02130	16.5
164.07092	1.0
166.08527	2.9
167.89268	0.6
174.99361	0.6
181.99004	0.7
188.07077	15.9
189.04102	1.4
192.06590	1.5
206.08125	54.8
216.08678	0.6
219.07736	0.6
224.11520	1.0
234.07620	1.3
234.09833	0.9
234.13501	2.0
235.04697	1.4
237.08687	1.3
249.02637	0.6
252.06989	1.9
252.10896	4.9
252.14412	6.4
252.23111	0.6
253.12151	1.0
268.27164	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.237
Annotation	(+)-12-(2-Cyclopenten-1-yl)-2-dodecanone
Peak:m/z	Relative Intensity
53.03936	3.0
55.01863	0.9
55.05511	22.4
57.03155	1.3
57.03439	23.5
57.07076	30.6
63.18346	0.7
63.78405	0.7
65.03939	1.5
67.05505	56.2
69.07069	24.9
70.55563	2.9
71.04988	3.2
71.08633	21.2
73.06550	1.8
79.05058	1.4
79.05486	14.0
81.07056	56.2
83.04986	1.6
83.08620	11.4
85.06552	5.7
85.10173	1.4
91.05492	4.5
93.07043	18.7
95.04964	2.3
95.08607	80.4
96.08923	0.9
97.06537	1.4
97.10167	9.7
98.98466	100.0
99.08093	1.6
103.05461	3.3
105.07022	1.2
107.04958	40.1
107.08591	7.5
108.05257	0.9
109.10156	30.9
111.11709	2.0
113.09670	1.0
116.99511	5.0
117.43752	0.8
119.04922	3.6
121.10143	15.4
123.10912	0.8
123.11697	4.5
128.06259	1.8
129.07005	5.7
131.04913	5.5
133.10072	1.0
135.11726	7.2
140.01083	1.8
141.12721	7.8
141.34685	0.9
145.06514	1.5
149.13260	1.9
151.14804	5.1
157.06499	9.8
165.06998	1.3
169.15881	64.1
170.16197	1.0
174.99231	2.5
177.12708	1.1
181.06525	0.9
183.17477	1.9
189.06825	0.8
190.07800	1.4
191.17921	4.9
194.07368	0.8
195.08084	2.6
195.17514	1.0
205.98715	1.0
208.08803	1.8
210.06789	1.3
215.08539	1.2
215.17761	1.0
218.07245	1.8
219.07945	1.8
223.07562	3.7
223.11191	2.4
233.09636	2.3
233.22638	3.6
236.08224	4.0
251.10675	23.1
251.16487	1.4
251.23711	49.1
252.08694	1.2
252.11105	1.9
252.24138	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2003
Annotation	Methyl farnesoate
Peak:m/z	Relative Intensity
53.03927	1.5
55.05503	8.9
55.77297	0.7
56.96558	8.1
57.02611	0.9
57.03432	1.1
57.07063	3.7
59.04995	1.0
65.03928	3.0
67.05498	100.0
67.72607	0.8
68.05815	0.9
69.03431	1.4
69.07057	6.5
70.04071	6.6
71.04990	6.5
79.05483	15.1
81.03416	2.3
81.07049	75.1
83.04927	4.1
83.08609	4.5
85.06548	1.3
90.94897	0.7
91.05494	6.4
93.07038	14.7
95.04947	4.3
95.08598	68.9
96.08977	1.1
97.06533	2.8
97.10157	1.4
98.20699	1.6
98.98457	38.2
105.07039	5.7
107.04964	3.8
107.08597	9.6
109.06536	5.4
109.10143	48.2
116.99497	2.0
117.06989	2.9
119.04810	0.8
119.08579	4.7
121.06512	2.0
121.10132	9.3
122.13869	0.9
123.08041	2.8
123.11693	19.9
125.01521	5.2
125.05976	2.7
125.09655	1.1
126.01860	5.5
127.01239	7.6
127.07502	0.9
129.06964	1.0
131.08595	5.6
133.10120	3.4
135.08055	1.7
135.11691	8.0
137.09595	1.1
137.13246	3.5
139.11201	1.0
140.76848	0.7
145.10165	3.9
146.97386	0.9
147.11702	2.2
149.09624	2.8
149.13300	4.8
151.07541	1.9
151.11104	1.1
159.11682	3.7
163.11197	5.5
163.14818	1.1
163.97711	2.2
165.06926	1.1
167.10693	1.8
173.13202	2.4
174.99136	1.2
177.12775	2.7
179.08551	1.4
181.10078	1.1
181.12224	3.3
182.26332	0.8
185.52762	0.9
187.97800	1.0
191.14272	1.6
191.18010	1.8
192.09247	1.2
193.10101	2.5
195.13809	2.2
205.98755	4.3
207.11702	1.5
208.12476	1.1
209.13229	2.2
209.15207	1.6
213.08011	1.3
215.17908	3.9
221.13225	1.8
223.14783	1.2
223.16856	1.1
229.00346	2.5
229.07553	1.5
231.09027	3.5
233.15331	1.7
233.18970	3.2
236.12061	1.5
251.07732	9.6
251.10469	1.3
251.14197	5.1
251.16452	14.1
251.20078	18.2
252.07080	9.7
269.10342	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	251.1641
Annotation	2-Deoxy-12-oxolemnacarnol
Peak:m/z	Relative Intensity
51.02371	0.6
53.03940	1.8
55.01866	3.1
55.05505	3.0
55.19624	0.6
56.85677	0.6
56.96554	0.7
57.03436	10.6
57.07069	1.1
59.05002	1.3
65.03927	1.0
67.05503	18.3
69.03432	1.4
69.07076	4.1
70.06588	0.9
71.04986	1.4
71.11109	1.1
72.08158	1.0
73.02908	0.6
79.05492	17.4
80.22311	0.4
81.03432	3.3
81.07056	26.0
81.18573	0.5
83.04959	0.9
83.08621	2.3
84.04511	0.7
84.08132	1.1
85.06539	1.7
85.72750	0.6
91.05486	15.3
93.07046	33.5
95.04962	6.6
95.08604	11.2
97.06525	2.5
98.98467	100.0
99.04457	0.9
99.08101	0.5
102.32174	0.5
103.03931	1.5
103.05481	0.8
105.04528	0.6
105.07031	9.5
107.04958	10.1
107.08589	11.4
109.06503	3.0
109.10148	2.8
111.08079	1.3
115.05456	0.5
116.99497	4.9
117.07021	5.7
119.04896	0.9
119.08557	2.7
121.06496	1.6
121.10139	4.9
123.04455	0.6
123.08108	0.8
128.06203	0.7
129.05487	5.5
129.06973	1.2
131.04977	0.8
131.08560	8.9
133.06549	0.8
133.10133	8.6
135.08043	1.9
135.11690	8.7
137.09634	0.9
140.01122	0.8
143.07088	0.6
145.10135	1.5
147.11691	0.8
149.09666	1.5
149.13264	12.4
155.07025	1.9
157.06491	1.6
159.11697	14.9
161.13268	0.8
163.11186	0.6
169.08665	0.5
169.10107	0.7
173.13228	1.2
174.99225	2.7
175.14758	0.5
177.12759	11.5
187.11171	0.6
191.08601	0.8
191.10561	0.6
191.14398	0.5
192.32216	0.5
205.12379	0.6
205.15904	0.5
208.08791	0.5
223.07791	0.7
233.09618	0.7
233.11769	0.6
233.15327	2.4
236.08282	1.0
251.04744	0.9
251.10689	4.7
251.16447	26.4
265.49649	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1641
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
53.03936	1.4
55.01869	1.2
55.05521	3.3
56.96557	1.3
57.03423	0.7
57.07070	0.5
65.03928	1.0
67.05503	13.2
69.03421	1.0
69.07065	2.7
70.55901	1.9
71.04985	1.5
77.01591	0.5
77.03941	0.5
79.05493	19.3
81.03410	2.6
81.07056	13.3
83.04986	1.6
83.08629	1.1
87.04490	2.9
87.04941	0.7
91.05479	12.6
91.06020	1.0
93.07042	21.2
93.07633	1.2
95.04966	12.1
95.08605	9.3
97.06507	1.2
98.98465	100.0
101.05975	1.1
103.05482	1.2
105.04509	1.0
105.07042	5.8
107.04949	17.2
107.08589	9.9
109.06501	3.9
109.10155	2.5
115.03904	0.7
115.05429	0.4
116.99502	5.2
117.07010	3.2
119.04908	0.9
119.08576	5.9
121.06531	1.4
121.10138	15.5
123.04395	0.7
123.08080	1.4
128.06238	0.8
129.07013	2.5
131.04921	1.7
131.08566	5.7
133.10124	2.3
135.04414	0.6
135.08069	1.3
135.11674	2.1
137.09596	1.1
140.01094	1.6
141.07033	0.8
143.08521	0.7
145.06453	0.7
145.10126	3.1
147.11691	1.5
157.06476	3.4
159.11726	1.7
161.13237	1.0
163.14821	0.6
167.08540	0.8
173.13278	1.3
174.99232	2.2
187.14836	4.0
195.08063	0.8
197.13268	1.5
203.08342	0.6
205.15900	1.2
208.08861	1.1
210.06573	0.5
215.14375	1.2
218.07277	0.9
219.08328	0.6
223.07509	1.6
223.11180	0.8
223.16954	0.6
233.09705	1.4
233.15402	4.1
236.08243	2.4
251.10635	8.6
251.16335	13.3
251.20172	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1643
Annotation	3beta-Hydroxycinnamolide
Peak:m/z	Relative Intensity
53.03939	0.9
55.01871	2.4
55.05511	2.0
56.96563	2.0
57.03426	1.0
57.07077	0.9
57.13750	0.3
59.04988	0.7
62.37303	0.4
65.03955	0.4
67.05209	0.4
67.05505	3.6
69.03424	2.7
69.07076	2.4
69.48270	0.9
69.48677	2.0
70.06583	1.4
71.04990	1.1
71.06096	0.4
72.08147	1.2
79.05486	4.2
81.03396	0.6
81.07052	3.8
83.04978	3.6
83.08602	0.7
84.04522	0.5
84.08138	1.2
84.96003	0.6
85.02895	1.5
85.06534	0.5
86.09712	0.4
87.04431	0.4
91.05470	4.8
93.07040	6.6
95.04958	5.3
95.08599	4.2
97.02899	0.6
97.06540	1.9
97.10146	0.3
98.09713	0.6
98.98465	100.0
103.05475	1.6
105.07032	5.0
107.04955	25.6
107.08588	5.5
108.05267	0.6
109.06516	2.0
109.10155	3.9
110.07184	0.6
111.04468	0.8
111.08075	2.2
113.06014	1.2
115.05431	0.6
116.98621	1.7
116.99502	5.2
117.07026	1.4
119.04934	1.7
119.08585	5.5
120.08103	0.5
121.06499	1.7
121.10144	20.4
122.07304	0.3
123.04441	0.3
123.08077	3.7
123.11744	0.4
125.09673	0.3
127.07552	0.7
128.06219	1.2
128.98570	0.6
129.05492	0.4
129.07011	2.4
130.07809	0.4
131.04901	2.8
131.08583	2.5
132.05760	0.5
133.06506	4.0
133.10130	3.2
134.99663	1.2
135.08029	2.1
135.11670	4.6
137.05980	0.5
137.09613	5.5
138.10385	1.6
139.11169	3.6
140.01093	1.1
143.08580	0.8
145.06490	0.8
145.10121	3.3
146.99667	0.8
147.08069	1.1
147.11681	1.9
149.09612	2.3
149.13222	1.0
157.06490	4.7
157.10173	0.7
158.07260	0.9
158.10902	0.5
159.08067	1.0
159.11700	1.1
161.01268	0.4
161.09563	0.7
161.13252	1.1
163.07605	0.4
163.11171	9.2
163.14790	0.6
165.00726	0.4
167.08554	0.6
173.09581	0.4
173.13261	1.8
174.99223	2.5
175.11191	1.0
175.14838	0.8
177.09087	0.7
177.12703	1.2
182.07253	0.4
185.13220	0.4
187.11092	0.5
187.14844	0.9
189.07002	0.4
190.07761	0.8
191.08559	1.1
191.14297	1.4
193.15901	0.5
195.08075	0.7
195.10178	1.0
203.14311	2.9
205.10249	0.6
205.12189	0.6
205.15950	1.6
207.08096	0.9
208.08736	0.9
210.06813	0.6
215.08644	0.9
215.14296	0.8
218.07268	1.4
219.01813	0.6
219.08035	0.8
221.15353	2.5
223.07571	2.3
223.11171	1.5
223.16930	0.5
225.09117	0.8
233.09564	1.9
233.11600	0.5
233.15405	2.1
235.07530	0.6
236.08316	3.0
237.02855	1.1
237.08925	0.5
251.07091	1.2
251.10672	13.3
251.16388	10.5
253.12157	0.5
257.93817	0.3
271.13077	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1641
Annotation	7-Isobutyryloxythymol methyl ether
Peak:m/z	Relative Intensity
53.03941	3.6
55.01879	2.0
55.05509	10.4
56.96556	4.2
57.01416	1.5
57.07067	11.6
59.04979	4.4
62.53333	1.6
66.80199	1.8
67.05503	15.3
69.03403	5.5
69.07047	6.9
70.77862	4.8
71.04989	100.0
72.93840	1.7
73.92159	1.6
74.18094	1.5
78.29549	1.4
79.05501	12.6
81.03410	7.9
81.07047	21.5
83.04984	18.9
83.08593	5.0
85.06515	4.2
85.38438	1.4
88.34431	1.5
91.05476	12.9
93.07053	16.3
95.04967	28.9
95.08602	14.8
97.06521	17.1
98.98462	68.4
99.04432	3.2
105.07024	10.6
107.04958	14.9
107.08588	18.3
107.56525	1.5
109.06548	8.5
109.10149	10.6
111.08067	2.5
113.05994	2.0
116.99440	3.0
117.07012	5.2
119.08598	10.1
121.06469	6.8
121.10149	18.4
121.46889	1.4
123.08079	14.0
123.11680	3.7
125.05984	55.4
129.06981	4.0
131.08571	12.8
133.06476	2.3
133.10112	6.8
135.08005	6.8
135.11658	5.2
137.06003	2.2
137.09563	6.3
143.08572	1.9
145.06453	2.4
145.10092	15.6
147.08017	6.5
147.11638	4.7
149.09616	14.5
151.07541	12.7
159.11642	5.4
161.13255	1.9
163.11171	65.4
163.97693	3.3
165.09132	3.9
165.12712	4.4
167.10587	1.9
173.09557	4.9
173.13226	4.0
174.99190	2.2
175.11143	2.0
177.09154	7.4
177.12698	1.6
179.83125	1.5
181.12231	28.7
181.98763	2.5
185.04564	1.6
187.11179	2.7
187.14836	4.0
189.12686	4.3
191.10538	1.7
191.14258	2.3
193.12209	4.3
195.08276	1.3
195.10130	4.8
197.13222	1.7
205.15770	3.0
205.98784	9.2
207.13727	2.6
215.14261	3.3
229.00435	3.5
233.15361	17.5
251.10562	3.1
251.16371	99.1
252.16713	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.164
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
50.91154	4.3
53.03958	5.8
53.73821	3.8
55.01856	5.7
55.05511	26.3
56.35976	3.1
56.96567	38.4
67.05503	83.8
69.07064	18.6
71.04977	7.2
71.59369	8.4
71.59739	4.6
72.93797	6.2
73.09898	4.0
79.05488	71.6
81.03414	19.1
81.07055	79.5
83.04984	12.1
83.08591	11.4
85.06520	6.0
91.05476	90.3
93.07050	57.5
95.04951	30.4
95.08609	45.7
97.06536	8.7
97.10173	5.0
98.98463	100.0
103.05434	5.4
105.07034	68.2
107.04979	27.4
107.08595	24.1
109.06530	22.4
109.10156	38.0
111.08099	4.6
117.07011	19.5
119.08562	43.6
121.06506	14.3
121.10126	15.9
123.08083	5.1
123.11733	7.5
129.07001	4.9
131.08566	45.4
133.06488	7.3
133.10130	15.7
135.08057	6.5
137.13342	5.5
143.08482	5.4
145.10133	14.6
147.11713	7.3
149.09616	5.3
159.11732	7.9
169.10052	5.7
171.11655	7.8
173.06360	4.0
173.13271	8.8
179.08612	13.0
187.14825	14.7
193.10091	4.3
197.13162	7.9
205.15869	8.3
205.98749	9.5
213.07954	10.4
215.14281	7.6
218.10533	3.9
229.05273	5.0
231.09036	19.3
233.15399	43.4
241.46298	3.9
243.09009	6.0
250.98326	9.6
251.09456	7.0
251.14043	7.1
251.16185	23.0
251.20085	13.1
269.10492	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1642
Annotation	Deodardione
Peak:m/z	Relative Intensity
51.91888	0.5
53.03928	1.1
54.35111	0.4
55.01886	0.4
55.05263	0.5
55.05506	6.5
56.96548	1.4
57.03418	0.8
57.07038	0.8
59.04995	1.1
60.89305	0.4
67.05502	3.0
69.03405	1.5
69.07063	10.0
70.52129	0.7
71.04971	1.1
79.05484	6.7
81.03404	1.0
81.07057	5.6
83.04974	10.7
83.08607	1.3
87.04463	0.7
89.03914	0.6
91.05467	4.9
93.07040	23.4
95.04977	2.6
95.08058	0.4
95.08607	5.6
97.02928	0.6
97.06528	2.3
97.10148	0.5
98.97534	0.8
98.98458	9.7
105.07027	6.9
107.04958	2.2
107.08587	4.4
109.06526	3.3
109.10115	1.5
110.07127	0.4
111.03678	0.9
111.04434	10.4
111.11723	3.0
117.03371	0.6
117.07000	0.7
119.08553	2.2
121.06499	1.4
121.10134	38.7
123.08063	2.3
123.11739	0.5
125.09634	1.4
126.09216	0.4
131.08572	1.6
133.10121	1.4
135.08034	1.3
137.09601	0.8
139.11153	2.5
141.94180	0.4
145.02827	0.8
145.10107	0.7
147.11731	0.8
149.01123	0.9
149.09605	14.3
157.10138	0.9
159.08051	0.7
161.09576	0.5
163.03867	1.8
163.11142	0.4
163.97726	0.7
167.10664	100.0
168.11035	1.0
173.13199	0.4
175.11147	1.2
177.05411	0.7
187.14816	0.7
188.00122	0.5
189.12711	0.6
193.12143	0.9
197.13158	0.5
205.98785	1.7
209.15298	1.1
215.14279	1.0
215.17883	0.6
233.11816	0.6
233.15387	1.7
251.05341	1.0
251.08646	0.6
251.16374	11.9
251.19171	0.6
251.20131	0.6
274.72574	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	1.5
57.07392	0.2
57.36320	0.2
66.83554	0.2
69.03402	0.2
71.04430	0.5
71.28725	0.2
79.05479	2.1
81.07057	0.3
84.04495	29.1
85.02889	0.4
85.04882	0.3
86.09734	0.3
91.05448	0.7
93.07027	0.3
93.95831	0.3
95.04956	0.8
98.06036	0.4
98.98460	3.1
102.05543	0.6
103.05472	1.6
105.07018	100.0
106.07356	1.1
107.04962	1.6
110.03532	0.7
115.45841	0.2
119.04938	0.4
120.08121	0.6
121.06533	0.3
122.09653	30.3
130.04984	3.5
136.06126	1.4
147.04344	0.4
149.09592	0.3
152.05672	0.8
153.04077	3.1
153.06018	0.3
154.02420	0.5
157.06502	0.5
168.33064	0.2
175.03885	0.7
188.10699	0.3
205.13332	4.3
223.07695	0.3
234.11223	22.2
235.11519	0.3
249.42880	0.3
251.09032	0.9
251.11143	0.7
251.13882	7.0
252.14539	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79808	0.5
55.05515	0.9
56.96564	0.9
68.79685	0.4
69.03434	0.7
69.96061	1.6
69.96465	1.0
70.06207	0.6
70.06590	11.1
72.08154	100.0
81.03422	0.6
81.07045	0.5
83.05009	0.8
84.08147	9.2
84.08618	0.7
85.02906	1.4
89.10796	2.4
93.07039	0.6
98.98464	22.5
107.60130	0.5
110.06044	1.4
112.07623	1.1
113.10780	0.9
114.09176	5.0
116.98626	1.5
116.99464	0.7
119.01925	3.2
126.09186	2.0
127.03968	0.6
131.11841	1.3
134.99672	1.4
137.02940	1.5
144.10213	1.4
150.09145	1.5
154.08653	2.7
156.10216	1.4
162.07658	1.2
168.10179	0.6
174.99252	0.7
177.00949	4.1
180.10172	0.8
198.11256	20.2
203.02577	0.7
215.13904	10.7
216.12321	17.8
219.02039	1.4
233.14961	7.2
234.13367	5.6
247.01454	3.7
251.11346	0.8
251.16043	15.5
256.96674	0.7
258.99969	0.7
261.03088	0.9
269.12231	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1641
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
53.03934	4.0
55.01866	2.3
55.05501	5.2
56.96569	3.8
65.01569	1.6
65.03931	2.3
67.05176	2.3
67.05504	26.4
69.07068	4.2
69.66939	3.8
69.67336	9.5
73.06522	1.8
79.05071	2.0
79.05496	26.5
81.03414	7.3
81.07063	23.4
83.04986	1.8
83.08617	3.3
91.05479	34.8
92.27365	1.6
93.07037	17.9
95.04974	10.1
95.08590	11.1
97.06560	1.9
98.21419	2.8
98.98468	100.0
103.05447	3.2
105.07024	25.1
107.04967	14.6
107.08604	5.5
109.06509	6.5
109.10158	3.2
116.99487	3.5
117.06989	12.2
119.08588	17.6
121.06502	5.0
121.10136	2.8
123.08092	2.5
129.07002	4.7
131.08580	18.7
133.06445	1.8
133.10124	6.6
135.08081	2.4
137.06003	1.8
143.08559	2.7
145.10095	7.7
159.11617	3.1
169.10060	3.4
171.11697	1.8
173.13277	4.2
174.99190	2.2
187.14816	7.3
197.13153	3.2
205.15891	4.7
212.86267	1.5
215.14259	1.7
231.09087	3.0
233.15390	24.5
236.08229	1.8
247.22946	1.7
251.10484	3.4
251.16403	5.5
269.10522	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	251.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44231	0.5
53.03920	0.6
55.05496	1.3
56.96550	1.7
57.07053	1.1
60.48703	0.4
66.28448	0.4
67.05479	2.4
69.07063	1.0
71.04957	1.1
72.93777	0.7
79.05491	2.5
81.03410	1.3
81.07062	3.9
83.04965	0.8
86.94965	0.5
91.05447	1.8
93.07020	2.1
95.04989	2.3
95.08583	2.1
97.06538	0.7
98.98457	15.3
105.06999	2.0
107.04950	6.0
107.08576	1.5
109.06470	0.9
109.10160	1.1
116.43839	0.5
116.99480	0.9
117.06990	0.9
119.08564	1.2
121.06422	0.6
121.10107	0.9
123.08033	0.6
129.06935	0.5
129.38666	0.5
131.04837	0.5
131.08514	1.3
133.10150	0.6
135.08060	0.6
135.11676	0.6
145.10121	0.6
145.13814	0.4
146.97473	0.6
149.09607	0.7
151.07509	0.6
159.11705	0.8
163.11252	0.8
163.97736	1.2
164.98465	0.5
167.10680	0.7
169.09917	0.5
173.09583	0.5
205.15887	0.5
205.98779	2.9
229.00334	0.6
233.15459	0.6
251.12526	100.0
251.16632	3.1
252.12831	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	251.1276
Annotation	Lachnumfuran A
Peak:m/z	Relative Intensity
53.03935	4.4
55.01863	5.2
55.05499	10.2
56.96550	2.6
57.03412	4.8
59.04998	2.3
62.81404	2.1
63.34013	2.6
64.33619	2.5
65.00774	2.4
65.03938	2.6
67.05505	20.3
69.03423	10.8
69.07055	8.8
71.04985	12.6
71.60416	3.7
72.93777	4.0
73.02912	2.4
73.06568	2.0
79.05486	48.7
81.03417	12.9
81.06571	4.9
81.07050	100.0
83.04971	6.8
83.08595	4.9
85.06514	2.6
89.03914	3.0
91.05471	35.0
93.07034	54.8
95.04964	33.8
95.08602	20.2
96.60076	2.4
97.02910	5.7
97.06548	16.1
98.97519	3.7
98.98455	53.8
99.04469	12.1
103.05431	5.2
105.06345	1.6
105.07018	52.6
107.04957	31.8
107.08607	19.7
109.06505	73.3
109.10142	3.9
111.08071	5.2
113.05986	4.6
115.05412	3.9
116.06239	2.3
117.03368	6.7
117.06991	18.3
118.63868	2.2
119.04929	26.1
119.08567	15.7
121.06506	41.5
121.10139	9.6
123.04428	4.5
123.08048	4.2
125.05971	8.7
127.07513	11.1
128.06238	4.0
129.07001	8.5
130.07800	6.6
131.04938	4.3
131.08553	28.2
133.06476	10.8
133.10088	5.7
135.04387	2.3
135.08066	13.1
135.11678	12.1
137.05969	80.9
139.07587	15.3
141.06966	5.0
143.08551	7.8
144.09338	4.9
145.02829	11.5
145.06462	13.1
145.10106	78.7
146.06013	6.8
147.08022	6.2
147.11696	9.3
149.01192	3.5
149.09564	4.6
151.07556	2.6
153.07005	2.9
154.07744	6.6
156.07195	2.8
157.08615	6.0
157.10056	2.4
158.07224	5.1
159.08058	8.3
159.11671	44.2
161.02991	3.8
162.03062	4.2
163.07582	2.9
163.11166	53.9
169.10124	14.6
171.11620	5.5
172.08762	4.6
173.05859	2.3
173.09607	34.8
177.05461	16.7
177.12743	4.3
179.08582	11.5
179.54277	2.5
181.12219	17.4
182.07289	6.0
187.11162	79.9
191.10670	27.7
192.10678	2.3
193.12213	7.3
197.09570	19.8
205.12257	27.2
205.98802	6.4
207.08597	3.2
215.10651	76.8
233.11684	50.4
234.98807	2.4
236.08342	3.2
251.10545	9.9
251.12781	29.1
252.15909	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	251.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	0.7
53.03946	1.6
55.01861	1.1
55.05508	1.1
55.06112	0.5
57.03413	1.0
59.51218	0.6
67.05500	1.3
69.03425	0.7
69.07051	0.6
69.95252	3.0
70.06605	0.9
72.08141	1.0
77.01579	0.6
77.72955	0.5
79.05495	5.4
81.03423	0.9
81.07056	5.1
84.04533	0.7
84.08142	1.6
86.09695	0.9
91.05473	6.1
93.07039	3.0
93.20266	0.5
95.04961	3.9
95.08630	0.8
97.06548	0.5
98.98463	84.6
103.05458	9.8
105.07019	2.5
107.04951	100.0
107.08614	1.2
108.05283	1.3
110.03537	1.5
115.05434	1.3
116.98743	0.7
116.99488	3.1
117.07018	0.9
118.21189	0.6
119.04918	6.5
120.05735	1.4
120.08105	1.9
121.02850	1.3
121.06518	0.5
128.06206	6.2
129.07007	18.4
129.48067	0.6
131.04922	14.0
132.05646	1.7
133.06468	2.2
135.04430	1.3
135.11711	0.5
136.06178	2.1
140.01057	0.6
144.05679	1.1
145.06473	4.7
146.05978	0.6
149.05968	0.9
152.06235	0.8
153.04068	9.9
154.02452	1.8
157.06487	26.5
158.07166	1.6
164.35327	0.6
165.07018	1.7
167.08511	1.5
169.06430	0.6
174.99219	1.9
175.95282	0.5
178.07849	0.7
179.08556	0.6
181.06494	1.5
182.07234	1.5
183.08038	0.7
187.11172	0.5
189.07018	1.6
190.07755	3.0
191.08510	2.1
194.07242	1.7
195.08032	5.2
202.07773	1.0
203.08522	1.8
204.09181	0.8
205.06462	0.9
205.10138	3.4
206.08099	1.3
207.08069	2.3
208.08804	4.7
209.09377	1.0
209.51729	0.6
210.06743	3.3
215.08508	4.0
218.07281	4.3
219.08022	2.6
220.08597	0.6
221.09554	1.1
223.07547	8.9
223.11084	6.0
232.08786	0.7
233.09584	4.9
235.07478	2.1
236.08311	12.3
237.08719	0.7
243.09044	0.5
249.09004	1.9
251.10667	57.6
251.16379	1.8
252.10965	2.0
252.14539	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1066
Annotation	CHEMBL2147422
Peak:m/z	Relative Intensity
51.70482	0.6
53.03947	1.1
55.01872	0.7
55.05515	4.8
56.30257	0.6
57.03441	4.8
57.07075	4.8
59.89539	0.6
67.05508	11.9
69.07066	4.7
69.75021	2.5
69.75439	0.9
71.04984	0.5
71.08635	3.6
79.05499	6.0
81.07054	10.9
83.08614	2.7
85.06513	0.7
91.05495	4.5
93.07039	3.8
95.04957	3.0
95.08607	15.9
97.10181	1.4
98.98467	100.0
103.05488	4.9
105.07059	1.2
107.04957	60.9
107.08597	1.7
109.10168	5.2
115.05489	0.7
116.99503	5.9
119.04929	4.9
120.05724	0.7
121.10115	3.1
123.11707	0.8
128.06235	3.3
129.07008	11.3
130.99620	0.6
131.04935	10.2
133.06499	1.4
135.11732	1.4
140.01070	2.3
141.12779	1.5
141.50876	0.7
141.51942	0.6
145.06461	1.8
145.10077	0.7
146.78053	0.6
151.14832	1.1
155.06024	0.7
157.06488	17.6
158.07317	0.7
165.06996	1.2
169.15872	11.1
174.17142	0.6
174.99208	2.5
181.06454	1.2
190.07716	1.7
191.08511	1.5
191.17932	0.6
194.07266	1.2
195.08000	3.5
203.08510	1.1
204.09369	1.1
205.10130	1.7
207.08012	1.5
208.08879	3.1
209.09598	0.7
210.06761	2.2
215.08543	2.1
218.07195	2.9
219.08102	2.2
223.07568	5.9
223.11113	4.3
223.16795	0.8
233.09515	2.5
233.22791	0.8
235.07571	1.4
236.08342	7.1
249.09021	1.4
251.10661	37.2
251.20047	1.4
251.23724	10.3
252.10966	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1068
Annotation	CHEMBL2147422
Peak:m/z	Relative Intensity
50.62871	1.0
51.08123	0.9
53.03932	1.8
53.07160	1.0
55.05508	2.2
57.07063	2.7
67.05490	3.4
69.07057	2.8
70.05036	4.7
76.06764	1.0
79.05492	5.7
79.79488	0.9
81.07050	3.5
83.08625	1.6
91.05481	6.4
93.07030	1.6
95.04962	4.3
95.08612	2.9
97.06517	1.1
97.10135	1.2
98.20736	1.3
98.98470	79.2
103.05472	7.7
105.07025	1.2
105.74487	1.0
107.04959	100.0
107.08560	1.8
116.99532	4.0
119.04967	6.1
121.10129	3.0
128.06247	4.8
129.07010	17.0
131.04944	16.4
132.05711	1.5
133.06476	1.8
135.11725	1.5
140.01097	2.0
145.06459	4.0
151.14984	1.3
157.06499	27.5
158.07266	2.3
165.07091	1.6
167.08583	1.4
174.99194	1.4
175.58665	1.0
179.08643	1.1
181.06506	1.7
190.07753	2.2
191.08606	1.8
194.07272	1.8
195.08058	3.5
205.10136	2.6
206.07271	1.2
207.08063	2.3
208.08807	3.5
210.06781	1.4
215.08665	2.3
218.07269	4.8
219.07994	2.0
223.07587	9.6
223.11122	7.8
233.09621	4.9
235.07530	2.5
236.08351	12.3
251.10681	56.7
251.23650	1.3
252.11041	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	251.1065
Annotation	CHEMBL2147422
Peak:m/z	Relative Intensity
53.03940	1.5
55.01865	1.0
55.05504	1.4
56.96581	0.8
64.37864	0.4
65.03936	0.8
67.05498	3.3
69.03433	0.5
69.07060	1.0
70.06566	0.4
71.05013	0.5
71.59122	0.6
77.92368	0.4
79.05494	8.4
81.03426	1.2
81.07063	3.8
83.04998	0.5
83.08617	0.5
87.04418	0.4
91.05473	6.3
93.07046	3.9
95.04977	5.9
95.08591	2.4
97.06531	0.8
98.98466	92.0
103.05479	5.5
105.04481	0.5
105.07034	3.3
107.04955	100.0
107.08591	2.3
108.04604	0.5
108.05303	1.7
109.06525	1.2
109.10145	1.1
115.05435	0.9
116.99497	5.2
117.06991	1.2
119.04939	5.2
119.08566	1.3
120.05755	0.8
121.02861	0.9
121.06512	0.6
121.10121	2.0
123.08050	0.6
126.36627	0.4
128.06229	3.5
129.07010	11.1
130.07257	0.4
131.04930	9.1
131.08562	1.9
132.05675	0.5
133.06499	1.9
133.10124	0.4
135.04404	1.8
135.08070	0.5
135.11658	0.6
140.01077	1.3
144.05629	0.6
145.06473	2.3
145.10104	0.7
147.11690	0.6
149.09616	0.5
152.06238	0.6
153.07039	0.5
155.05962	0.7
157.06493	18.8
158.07301	2.9
159.11774	0.6
165.06993	1.5
167.08527	1.1
172.95276	0.5
174.99199	2.1
176.06302	0.4
177.06999	0.8
178.07732	0.5
180.09343	0.5
181.06493	1.6
182.07339	0.6
187.14850	0.7
189.06985	1.5
190.07762	2.5
191.08534	1.2
194.07262	1.1
194.19901	0.4
195.08057	5.0
195.11594	0.5
203.08583	1.1
205.10153	2.4
207.08035	1.5
208.08781	3.1
209.09587	0.8
210.06726	2.9
215.08522	2.8
218.07291	5.7
219.08080	2.0
221.09518	0.7
223.07550	7.3
223.11145	5.4
224.07895	0.5
231.07889	0.6
232.08774	0.7
233.09621	6.8
233.15282	2.2
234.10258	0.7
235.07541	1.8
236.08310	10.6
249.09076	1.2
251.10677	43.8
251.16199	3.1
251.20000	0.9
252.11024	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1065
Annotation	CHEMBL2147422
Peak:m/z	Relative Intensity
50.36256	0.4
51.02383	0.6
53.03945	1.6
55.01871	1.0
55.05506	0.7
56.96581	0.6
67.05476	1.2
70.06601	1.3
70.84644	1.4
79.05491	5.9
81.03416	0.8
81.07068	1.3
83.04979	0.5
91.05480	6.7
93.07010	0.7
95.04964	4.1
95.08594	0.8
98.98463	47.2
103.05475	8.4
105.04539	0.6
105.07019	1.3
107.04950	100.0
107.08600	0.9
108.05286	2.1
115.05473	0.9
116.99522	1.6
117.07008	0.6
119.04942	5.4
120.05708	1.3
121.02890	0.9
128.06212	6.6
129.06999	14.7
131.04924	13.1
131.08534	0.5
132.05678	0.8
133.06491	2.0
135.04408	4.8
144.05699	0.7
145.06493	4.4
146.06091	0.7
155.06015	0.7
157.06483	24.6
158.07169	1.4
165.07007	1.4
166.07718	0.6
167.08536	1.1
169.06474	0.8
174.99211	1.0
177.06970	1.1
178.07721	0.7
179.08485	0.7
180.09283	0.5
181.06519	1.9
182.07239	1.1
189.07040	1.2
190.07756	2.4
191.08562	0.8
194.07297	1.6
195.08061	4.6
202.07777	0.9
203.08551	1.3
205.10156	2.5
207.07976	2.6
208.08826	3.8
209.09523	0.6
210.06738	2.4
215.08537	3.9
218.07262	4.8
219.08044	1.9
221.06015	0.7
221.09547	0.9
223.07570	7.6
223.11122	6.2
231.08014	1.2
232.08836	0.7
233.09602	5.0
234.10335	0.5
235.07495	2.5
236.08301	10.0
249.09143	2.3
251.10663	46.7
251.16318	1.4
252.11034	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.9
55.01864	1.5
55.05517	0.8
56.96564	0.6
65.03903	0.4
67.05493	2.1
69.03414	0.6
71.58642	0.9
71.61826	0.4
72.08134	0.5
77.03916	0.4
79.05492	6.2
81.03405	1.0
81.07073	2.3
83.04985	0.6
86.09709	0.5
87.43630	0.4
91.05479	7.1
93.07024	2.4
95.04977	4.0
95.08604	1.2
97.06504	0.7
98.98465	44.3
103.05473	8.6
103.71290	0.4
105.04519	0.8
105.07011	1.7
107.04954	100.0
108.05276	1.9
109.06513	0.9
109.10147	0.5
115.05409	1.3
116.99512	1.7
117.07008	0.8
119.04926	6.5
119.08594	0.7
120.05738	0.8
121.06477	1.1
121.10123	0.6
123.08078	0.7
128.06226	6.2
129.07008	17.2
131.04929	13.0
131.08537	1.2
132.05699	0.7
133.06506	2.1
144.05626	0.7
145.06485	4.5
149.09680	0.4
152.06265	0.4
153.07027	0.4
155.05983	0.6
157.06488	26.9
158.07272	1.9
165.07051	1.9
166.07739	0.6
167.08589	1.6
169.06410	0.4
173.13310	0.5
174.99240	1.3
177.07033	1.2
178.07799	0.6
179.08566	0.6
180.09290	0.5
181.06485	1.7
182.07280	1.5
183.07970	0.5
187.14851	0.8
189.07054	1.8
190.07797	3.3
191.08527	1.2
194.07295	1.7
195.08095	4.3
202.07767	1.1
203.08469	1.0
204.09331	0.7
205.10147	2.4
205.16011	0.4
207.08011	1.9
208.08841	4.9
210.06700	3.2
215.08531	3.3
218.07286	4.9
219.07983	2.1
221.09579	0.6
223.07599	8.4
223.11139	8.6
231.08032	1.1
233.09607	5.0
233.15323	1.5
234.10220	0.8
235.07562	2.4
236.08313	12.7
237.08696	0.7
249.09131	2.1
251.10672	59.5
252.08243	0.4
252.10948	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1065
Annotation	CHEMBL2147422
Peak:m/z	Relative Intensity
51.02378	0.6
52.22161	0.3
53.03938	1.5
55.01868	1.1
55.05503	0.7
57.03428	0.5
63.88127	0.3
65.03922	0.6
65.81123	0.3
67.05495	3.1
69.03423	0.6
69.07051	0.8
70.80179	0.4
70.80515	0.7
79.05492	6.2
81.03410	3.8
81.07052	3.0
83.04981	0.7
87.04467	0.6
91.05473	7.2
93.07025	1.0
95.04962	6.4
95.08601	1.6
97.06488	0.3
98.98471	4.8
103.05470	9.1
105.04498	0.5
105.07015	2.2
105.32226	0.3
107.04951	100.0
107.08597	1.3
108.05296	1.3
109.06505	0.9
109.10168	0.6
115.05484	0.8
117.06992	1.1
119.04942	6.3
119.08590	1.1
120.05730	1.0
121.02908	0.5
121.06488	1.4
121.10112	0.8
123.08083	0.5
128.06215	5.9
129.07004	18.6
131.04926	13.3
131.08568	2.2
132.05664	1.1
133.06494	2.7
133.10147	0.6
135.08090	0.5
141.06932	0.5
144.05695	0.8
145.06474	4.2
145.10178	0.5
152.06206	0.4
153.06975	0.4
155.05992	0.8
157.06488	29.2
158.07182	1.4
159.11702	0.5
165.07043	1.5
167.08571	1.0
167.10664	0.5
176.98483	0.4
177.06969	0.5
178.07732	0.5
179.08572	0.6
180.09177	0.4
181.06500	2.0
182.07257	1.1
183.08005	0.9
187.14742	0.9
189.07005	1.6
190.07762	2.0
191.08519	0.5
193.10175	0.5
194.07285	1.7
195.08075	5.1
195.11646	0.7
202.07802	1.0
203.08569	1.8
205.06459	0.6
205.10156	2.6
205.98827	0.5
207.08066	2.3
208.08809	3.4
209.09598	1.0
210.06737	2.6
215.08560	3.7
215.14204	0.7
217.07425	0.5
218.07269	5.0
219.07965	1.9
221.05902	0.4
221.09622	1.0
223.07553	9.1
223.11113	7.3
229.07419	0.5
231.07994	0.6
232.08891	0.4
233.09573	4.8
233.15233	1.9
234.10368	0.9
235.07451	2.3
236.08318	11.9
237.08812	0.4
247.08572	0.7
249.09097	2.2
250.09813	0.4
251.10666	61.3
251.16315	1.8
251.18352	1.5
252.11008	1.4
269.12323	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1067
Annotation	CHEMBL2147422
Peak:m/z	Relative Intensity
53.03943	1.4
55.01878	1.1
56.05009	0.5
56.96573	0.5
57.03440	0.8
58.99571	0.7
59.06115	0.5
61.62014	0.6
67.05495	1.0
69.03442	0.8
70.06586	2.0
70.26595	2.0
72.08134	1.5
72.47767	0.4
76.02225	1.5
77.03926	0.9
79.05487	5.6
81.03425	0.8
81.07045	0.9
83.06093	0.8
84.04506	12.5
84.08155	1.2
85.02892	0.7
85.46453	0.5
86.09734	0.7
86.99058	0.6
88.04056	0.7
91.05480	7.1
93.07021	1.1
95.04974	3.9
98.98466	62.3
103.05464	10.2
105.00082	1.0
105.04541	0.5
105.07003	2.8
107.04955	100.0
108.05302	1.1
110.07130	0.5
115.05446	1.1
116.99505	1.7
117.07052	1.3
119.04934	7.1
120.05765	1.1
120.08114	3.5
121.02888	1.1
121.06550	0.8
121.10132	0.6
122.02735	6.1
128.06218	6.5
129.07008	18.4
130.04994	4.3
130.06520	0.5
131.04939	15.4
132.05721	1.5
132.08115	0.6
133.06485	2.9
135.04424	1.4
136.06195	1.6
136.07504	0.9
142.03215	1.0
144.05693	0.6
145.06462	5.0
146.06033	1.9
147.08081	0.7
148.07552	0.8
153.04057	0.8
153.07027	0.7
155.06152	0.9
157.06491	27.4
158.07243	2.0
160.07530	0.7
163.02130	2.3
165.06992	1.2
167.08571	1.2
174.99234	1.8
179.08606	0.7
180.09398	0.7
181.06517	1.8
182.07249	0.9
188.03709	1.3
188.06990	0.8
189.06976	1.8
190.07729	2.8
194.07326	1.9
195.08020	5.0
202.07722	0.7
203.08592	1.6
204.09444	0.9
205.10115	2.8
206.08101	1.3
207.08060	2.1
208.08829	3.3
209.09579	0.7
210.06741	2.6
215.08568	4.0
218.07259	4.0
219.08023	2.2
220.08919	0.5
221.09639	0.6
223.07559	8.0
223.11147	7.6
231.07988	1.3
232.08859	0.7
233.09607	5.6
234.04324	1.1
234.10085	0.5
235.07513	2.0
236.08281	10.3
249.09058	2.2
251.10681	50.7
251.13718	2.8
252.11002	1.7
252.14653	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1066
Annotation	CHEMBL2147422
Peak:m/z	Relative Intensity
51.02369	0.5
53.03941	1.0
55.01859	1.3
55.05516	1.3
56.96561	0.6
57.03438	0.4
57.07069	0.6
65.03937	0.4
67.05507	3.0
69.03425	0.9
69.07064	1.1
69.38120	0.5
69.38526	1.6
70.06585	0.6
71.04987	0.9
72.08148	0.8
79.05493	6.2
81.03432	1.3
81.07050	4.1
83.04970	0.6
83.08617	0.5
84.08145	0.7
85.06548	0.3
88.03923	0.2
91.05490	3.8
93.07046	3.1
95.04967	4.4
95.08620	2.3
97.06522	1.6
98.20760	0.4
98.98464	75.6
103.05466	0.8
105.04504	0.6
105.07025	2.2
107.04953	100.0
107.08595	1.8
108.04659	0.3
108.05286	1.5
109.06485	1.2
109.10167	0.9
110.07104	0.3
111.08096	0.3
115.05482	0.4
116.98676	0.6
116.99485	4.3
117.07018	1.1
119.04946	2.8
119.08585	1.5
120.08157	0.3
121.02864	0.2
121.06519	1.3
121.10125	1.4
123.08049	1.0
126.77053	0.2
128.06227	0.8
129.07014	3.4
130.07758	0.3
131.04919	2.0
131.08572	1.9
133.06491	1.0
133.10121	0.9
134.99619	0.2
135.08038	0.7
135.11691	0.5
137.09579	0.3
140.01070	0.8
141.06897	0.2
142.07693	0.3
144.05724	0.5
145.06480	0.9
145.10130	1.0
147.08064	0.3
147.11690	0.4
149.09627	0.6
152.06168	0.3
153.06886	0.4
155.05930	0.3
155.08405	0.3
157.06494	9.8
158.07278	5.4
159.11679	0.5
161.13307	0.3
163.11192	0.6
165.06985	0.9
167.08586	0.6
171.11720	0.4
173.13261	0.5
174.99213	1.9
176.06285	0.2
177.07086	0.3
177.12738	0.3
178.07649	0.2
180.09366	0.6
181.06461	1.4
182.07295	0.6
183.08113	0.2
187.11195	0.3
187.14825	1.0
189.07028	0.9
190.07771	2.0
191.08514	0.6
191.14291	0.4
194.07245	0.8
195.08017	3.1
195.11754	0.4
196.08488	0.2
197.13263	0.5
202.07727	0.5
203.08585	1.1
204.09387	0.4
205.10136	2.5
205.15880	0.7
207.08029	1.5
208.08803	3.7
209.09584	0.5
210.06732	2.3
215.08531	3.2
215.10641	0.4
215.14307	0.6
218.07254	6.8
219.08076	1.5
221.09506	0.3
223.07581	3.5
223.11151	2.5
223.13248	0.4
231.08049	0.5
232.08809	0.3
233.09621	9.4
233.11534	0.4
233.15347	3.2
234.10292	0.4
235.07608	1.2
236.08321	13.6
237.08698	0.8
243.09186	1.1
249.08957	0.5
250.09789	0.3
251.10661	36.4
251.16397	4.7
251.20084	0.6
251.89322	0.3
252.11024	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1067
Annotation	CHEMBL2147422
Peak:m/z	Relative Intensity
53.03938	1.9
55.01862	1.3
55.05502	0.5
56.96560	0.7
57.07063	0.4
67.05495	1.2
69.03419	1.1
69.07059	0.7
70.66268	1.2
71.04953	0.6
75.38421	0.3
78.22314	0.4
79.05490	6.1
81.03394	1.1
81.07050	2.4
83.04980	0.7
85.02905	0.6
89.06030	0.5
91.05475	6.7
93.07030	1.2
93.89954	0.4
95.04962	4.2
95.08591	1.1
97.02857	0.4
97.06580	0.5
98.97574	0.4
98.97804	0.5
98.98460	7.4
103.05457	9.6
105.04469	0.4
105.07023	2.8
107.04945	100.0
108.05298	1.0
109.06521	1.1
110.96819	0.4
111.13446	0.3
113.06008	0.4
115.05463	1.1
116.98673	0.6
117.06993	1.2
119.04938	7.2
119.08579	0.4
120.05734	0.6
121.02868	1.7
121.06508	1.3
125.00789	0.4
127.07526	0.3
128.06207	5.8
129.06995	17.1
131.04916	13.7
131.08551	0.6
132.05647	0.5
133.06491	1.2
137.06010	1.1
144.05708	0.6
145.06480	4.3
145.10156	0.9
145.62569	0.4
148.31073	0.3
152.06169	0.4
153.06949	0.4
155.05988	0.5
155.08501	0.4
157.06482	27.8
158.07202	1.4
159.11639	0.4
163.11220	0.6
165.06982	1.3
166.07664	0.4
167.08549	1.3
169.06441	0.7
169.87135	0.3
173.09494	0.4
177.06989	0.8
178.07799	0.6
179.08511	0.6
180.09332	0.7
181.06511	1.6
182.07315	1.3
183.08098	0.5
187.11169	0.9
189.07033	0.8
190.07806	2.5
191.10742	0.5
194.07312	1.5
195.08067	3.9
202.07710	0.6
203.08516	1.3
204.09369	0.7
205.10092	2.1
205.98740	0.6
207.08003	2.0
208.08804	3.9
209.09453	0.6
210.06699	2.7
215.08549	3.9
215.10648	0.8
218.07263	4.4
219.08072	2.2
221.09634	0.8
223.07565	8.5
223.11122	7.3
231.08052	1.2
231.42328	0.4
233.09634	4.4
233.11736	0.8
234.10164	0.7
235.07504	2.0
236.08302	11.8
237.08624	0.5
249.09106	2.3
250.09813	0.6
251.10649	62.9
252.11008	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01871	2.0
55.05503	1.6
56.96563	1.5
57.03432	0.9
57.07062	0.6
59.04993	0.7
61.47415	0.6
65.03937	0.7
67.05503	1.6
69.03426	1.0
69.07066	1.1
69.57050	0.5
70.19263	2.8
72.08157	0.8
79.05492	5.3
80.05853	0.7
81.07037	1.7
83.04954	1.1
83.06249	0.5
84.08102	0.8
85.02885	0.9
91.05477	6.5
92.50425	0.5
93.07037	1.5
93.17291	0.6
95.04970	4.0
95.08584	0.6
97.02899	0.5
97.06547	1.6
98.06848	1.0
98.97509	0.8
98.98462	20.1
103.05466	6.5
105.04521	0.6
105.07032	2.1
107.04951	100.0
107.08600	1.4
108.05298	1.9
109.10172	0.7
115.05465	1.1
116.98629	1.2
116.99503	1.1
117.03372	1.3
117.07032	1.2
119.04926	7.5
119.08559	1.4
121.02843	1.6
121.06520	1.0
121.10143	1.0
123.04455	0.9
128.06236	3.6
129.07001	15.3
130.05002	0.7
131.04927	13.2
131.08562	1.4
132.05670	1.0
133.06482	2.5
133.10207	0.6
134.99596	0.7
137.06015	1.3
138.06366	0.7
144.05698	1.1
145.02832	1.6
145.06438	3.9
145.10103	0.7
146.97446	0.6
147.11601	0.7
149.09616	1.9
149.13191	0.7
155.06067	0.8
157.06482	24.5
158.07234	2.2
159.08099	0.9
165.07021	1.4
167.08557	1.5
174.99132	0.6
177.05467	2.0
177.06964	1.1
180.09337	1.4
181.06451	2.4
182.07268	1.0
189.06932	1.7
190.07768	3.6
191.08501	3.3
193.10263	0.6
194.07242	1.8
195.08067	5.0
201.08914	0.9
203.08560	1.8
204.09294	0.7
205.10146	2.8
205.98749	1.2
207.08086	3.4
208.08791	4.8
209.09581	0.8
210.06743	3.7
215.08569	2.9
218.07239	4.8
219.08113	2.9
220.08873	0.6
223.07573	11.0
223.11131	7.6
231.08005	1.1
233.09695	5.2
233.15227	0.7
234.12120	1.0
235.07558	2.4
236.08310	13.7
247.07451	0.6
249.09131	1.8
251.10670	74.5
251.16339	2.6
252.11035	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73953	0.5
53.03946	1.5
55.01870	0.9
55.05509	1.3
56.09084	0.5
56.96552	0.8
57.03438	1.5
57.07074	1.2
60.04525	9.4
62.05303	0.5
65.03951	0.6
67.05502	5.4
69.03425	0.9
69.07060	1.6
69.45844	2.2
69.46270	2.2
70.02954	7.9
71.01356	0.6
71.05019	0.5
72.08167	0.7
74.02431	2.5
77.03935	0.8
78.45841	0.6
79.05486	6.0
81.03413	1.7
81.07057	5.5
83.04979	1.1
85.06499	0.6
87.04473	0.6
88.03992	35.3
89.04317	0.6
91.05470	6.6
92.05013	1.2
93.07047	7.5
94.06567	36.1
95.04967	4.2
95.08595	2.8
97.06551	0.6
98.02415	0.9
98.98465	100.0
99.00804	7.6
103.05473	2.0
104.04982	3.9
105.07032	2.7
107.04952	22.3
107.08601	3.4
109.06518	1.5
109.10202	1.3
115.05370	0.4
116.03471	2.8
116.99492	5.2
117.07012	2.3
118.06565	5.0
119.04926	1.2
119.08567	1.7
120.03627	0.9
120.04473	14.7
120.08042	0.7
121.06490	0.6
121.10133	3.7
123.08038	0.9
128.06207	0.7
129.07010	3.1
130.05002	10.4
131.04913	2.6
131.08565	2.5
132.04453	6.3
133.06512	1.1
133.10106	0.9
135.08064	1.1
135.11697	1.1
135.99715	0.5
136.07608	3.8
136.08502	0.7
140.01109	0.8
145.10114	1.1
146.06006	80.8
147.06326	1.4
149.13188	0.5
150.05501	4.5
157.06483	3.9
158.04492	15.6
159.11711	1.0
163.08693	3.1
164.07076	2.1
165.06973	0.9
167.08546	0.8
174.05507	33.1
174.99216	2.4
175.05905	0.8
177.12668	0.6
179.08455	0.9
187.14774	0.8
190.07681	0.7
191.08282	1.5
192.06552	12.9
195.08104	1.4
195.11615	0.6
207.08057	0.8
208.08888	1.0
209.09187	2.4
215.08575	0.6
215.14262	0.7
218.07295	0.9
219.08070	0.6
223.07549	2.0
223.11185	1.3
229.05209	0.6
233.09357	2.4
233.15369	1.6
236.08446	2.4
251.07056	1.9
251.10602	11.2
251.13551	0.6
251.14288	0.6
251.16408	5.2
269.10498	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35821	0.2
53.03930	1.1
53.88324	0.2
55.01852	0.5
55.05498	0.7
56.96561	1.0
57.07067	1.5
60.44677	0.2
67.05492	1.1
69.03413	0.3
69.07043	0.5
72.08141	0.2
74.19424	0.2
79.05479	0.7
81.03401	1.0
81.06628	0.2
81.07035	1.0
83.08615	1.0
85.04655	0.2
85.06496	0.2
85.10175	2.7
88.07640	0.2
89.14719	0.2
91.05473	5.1
93.07033	9.6
95.04961	3.0
95.08585	0.9
97.02869	0.2
98.98454	4.2
103.05457	5.5
103.53955	0.2
105.04494	0.2
105.06995	0.8
107.04916	0.3
107.08595	0.5
109.06474	0.3
111.69794	0.2
113.09649	2.2
117.06992	0.3
119.01884	0.5
119.04885	0.3
121.06488	100.0
122.06810	1.3
125.01527	0.3
127.92763	0.2
130.12248	0.8
131.08574	0.6
138.09120	23.0
143.01869	0.3
145.10152	0.2
156.13803	0.3
161.02963	0.3
214.31319	0.2
228.05519	0.3
233.15334	0.6
250.17989	8.4
251.16205	0.3
269.10529	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0697
Annotation	gamma-L-Glutamyl-L-cysteine
Peak:m/z	Relative Intensity
53.03958	0.5
55.01865	0.9
55.05509	1.2
56.05032	3.9
56.96563	0.9
57.03444	1.6
57.07073	0.9
58.99583	5.8
65.98977	0.3
66.97821	0.3
67.05499	3.2
69.07067	0.8
70.06596	1.6
71.04996	0.4
72.08154	2.1
76.02225	11.5
77.01611	0.6
79.05489	4.3
80.05015	0.9
81.03398	0.5
81.07050	3.6
83.04989	0.4
83.06120	0.5
84.04501	72.8
84.08128	1.9
85.02908	1.2
85.04863	0.4
85.06560	0.7
86.09692	1.8
86.99049	3.9
88.03941	0.3
91.05484	3.8
93.07034	2.9
95.04975	2.6
95.08606	1.1
96.38387	0.4
98.98462	100.0
102.05550	2.0
103.05462	2.0
105.00095	6.1
105.07030	1.8
107.04952	26.8
107.08593	1.4
108.05310	0.5
109.06500	0.6
109.10193	0.3
110.03546	0.4
110.07150	0.4
111.08028	0.3
112.08772	0.5
112.11246	0.6
113.05986	0.7
114.03755	0.9
116.98660	0.7
116.99490	5.8
117.07005	0.9
119.04938	1.5
119.08627	0.3
120.04520	0.4
120.08101	6.9
121.02885	2.3
121.06487	0.6
121.10127	0.6
122.02721	36.3
123.04414	0.4
123.08044	0.4
128.06180	0.7
128.98538	0.3
129.06992	2.6
129.10225	0.4
130.04997	24.2
131.04915	2.8
131.08559	0.7
132.05710	1.1
133.06488	1.0
133.10127	0.7
134.99574	0.6
135.11653	0.5
136.07530	0.3
136.74896	0.3
140.01074	1.0
142.03223	9.0
145.06502	0.7
145.10092	0.4
146.06020	1.8
148.05974	0.5
149.09579	0.4
149.13231	0.6
153.04073	1.7
157.06464	4.0
158.07257	0.8
163.02095	1.2
165.06961	0.7
167.10641	0.4
170.02661	0.4
174.05428	0.4
174.99199	2.4
177.12738	0.5
181.06410	0.4
182.07283	0.4
188.03757	7.5
188.07036	1.4
189.06929	0.5
190.07822	1.5
191.07054	0.4
191.08517	1.7
195.08066	0.8
203.08571	0.4
205.06363	0.7
205.10065	0.8
206.08125	3.5
207.07965	0.7
208.08791	1.3
210.06810	0.6
215.08536	0.7
218.07231	1.6
219.08141	1.6
223.07581	1.8
223.11148	1.7
233.05873	0.9
233.09631	2.0
234.04298	6.6
235.07500	0.6
236.08298	3.9
249.09137	0.6
251.06946	7.1
251.10629	13.5
251.13298	0.8
251.16275	2.3
251.20142	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90699	0.8
53.03935	1.6
54.81623	0.8
55.01856	0.9
55.05503	14.1
56.96550	2.7
57.07065	7.6
58.99575	2.5
62.99067	22.2
67.05494	8.7
69.03430	1.3
69.07062	100.0
69.41862	6.2
69.42270	1.9
70.04056	0.9
72.08149	1.0
73.01132	2.6
74.00655	3.4
76.02179	0.9
76.49719	0.8
77.00612	1.9
79.05486	3.5
81.03402	3.2
81.07050	5.2
83.08617	4.2
84.08145	1.4
85.02917	0.9
86.69021	0.9
86.99032	1.4
87.02685	12.9
88.02206	6.4
88.03983	10.1
88.07618	0.8
91.05482	5.9
93.07052	4.7
95.04941	5.6
97.02874	2.7
97.06536	1.8
98.98460	15.7
101.04234	1.4
103.05468	2.8
105.00079	1.1
105.07006	1.7
107.04957	14.1
109.06541	1.4
109.10143	2.2
111.11704	22.8
112.07587	5.9
119.08569	1.2
120.01150	4.5
120.08087	0.8
121.06487	12.8
122.02721	1.8
122.09663	1.6
125.01554	1.7
128.14349	1.1
129.06963	2.1
131.04953	1.4
133.06483	1.1
134.02737	0.8
134.99670	1.1
136.06192	1.2
137.05989	4.3
140.89996	1.0
143.08916	5.8
145.10295	2.2
157.06514	1.8
161.02922	1.3
161.09941	91.3
163.11230	1.4
164.14268	1.1
179.08826	1.2
186.13150	1.2
187.11188	1.0
194.04900	1.3
197.68552	0.9
204.10152	1.8
204.13879	1.0
210.54655	0.8
215.10936	6.7
232.13484	13.3
232.16995	1.3
233.12018	26.6
250.09052	3.1
250.12238	1.9
250.14610	3.8
250.17993	5.4
251.10638	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	250.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.5
61.41960	0.2
67.01861	1.3
70.06586	0.3
70.36697	0.2
70.93058	0.2
71.38513	0.4
74.65959	0.2
84.55553	0.2
94.04045	0.4
98.98461	3.2
107.04949	1.0
109.05145	0.3
119.03558	0.7
121.06509	0.7
121.08373	0.2
130.05000	0.5
136.06186	100.0
137.04579	0.6
137.06561	0.6
196.98877	0.2
197.95343	0.2
215.88741	0.2
250.09352	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	250.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.6
56.96561	1.1
57.03426	1.3
61.02914	0.6
61.14347	0.6
69.03416	3.5
70.02596	0.9
70.02997	1.8
70.06583	3.0
71.04977	1.0
72.08173	1.1
73.02892	0.6
81.03429	1.2
84.04488	0.7
84.08146	1.3
85.02901	19.6
88.07624	100.0
97.02874	3.6
98.98465	7.5
100.02808	0.5
107.04970	1.8
118.87205	0.5
121.06535	1.6
121.33858	0.5
127.03955	2.4
136.06178	10.8
136.07281	0.4
136.07597	0.6
145.05019	1.1
177.07835	1.9
179.11848	0.8
206.11766	8.1
232.15509	0.7
250.09204	1.2
250.14502	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	250.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63594	0.4
53.03936	0.7
55.05505	1.0
56.05043	0.8
56.96566	3.0
57.03421	0.9
58.99583	0.5
67.05518	0.9
69.03400	0.9
69.07070	3.2
70.06596	6.2
71.29183	0.7
72.08155	2.2
73.02909	0.4
73.06583	0.6
76.02233	0.5
79.05492	2.1
84.04511	1.9
84.08141	3.8
84.96033	0.7
85.02921	0.7
86.09277	0.4
86.09712	2.9
88.04002	1.0
91.05473	2.0
94.04061	0.7
95.04977	2.0
97.02905	2.2
97.06522	3.0
98.98466	70.2
103.05471	1.8
105.07031	2.7
107.04952	14.0
108.05377	0.5
110.07162	1.8
112.11205	1.0
116.98621	2.5
116.99512	3.2
119.03568	2.0
119.04970	1.0
120.04481	0.6
120.08121	1.1
121.06497	1.0
123.04442	0.4
125.10749	0.5
127.22727	0.5
128.98593	1.1
129.06999	1.4
129.10214	1.4
131.04924	1.1
132.05676	0.7
133.06506	5.8
134.98718	0.5
134.99617	2.3
136.06184	100.0
137.04601	1.8
137.06636	0.6
140.01076	0.6
145.06519	0.8
146.99690	1.1
147.05489	2.7
152.05710	1.6
157.06493	2.1
159.08105	0.8
165.06963	0.5
174.07761	1.5
174.99257	0.9
177.00677	0.9
178.06526	1.1
179.08543	0.9
194.05939	0.8
194.65730	0.4
195.08020	0.7
207.08028	1.3
208.08842	0.5
218.07300	0.6
223.07568	0.9
223.11229	1.0
232.08495	0.5
232.12024	0.5
233.09613	1.3
235.07507	2.2
236.08331	1.8
237.02686	1.1
250.05028	2.8
250.12987	79.4
251.04886	0.6
251.10695	3.8
251.13283	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.2212
Annotation	Heptadecatrienal
Peak:m/z	Relative Intensity
55.05511	14.3
57.07065	6.8
58.30459	2.5
58.70691	2.4
65.03941	3.2
67.05506	99.7
69.07071	13.4
71.08637	3.1
71.59080	3.8
79.05492	35.4
81.03419	3.3
81.06583	5.6
81.07056	100.0
83.08620	7.2
85.06553	2.7
91.05476	22.6
93.07048	33.7
95.04958	5.4
95.08609	69.3
97.06515	5.8
99.08057	2.9
105.07031	15.6
107.04971	3.3
107.08594	13.1
109.10165	20.1
119.08629	12.9
121.10153	11.7
123.11705	13.1
133.10132	16.8
135.11719	7.9
137.13261	16.6
147.11653	9.4
149.13237	10.2
161.09558	3.3
161.13269	10.8
161.97690	3.3
175.14812	8.1
189.16377	3.5
191.08560	3.2
220.05582	2.8
220.71269	2.6
231.21042	11.1
249.18542	7.0
249.22171	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.5
56.05042	2.4
63.23973	1.6
67.05493	10.7
68.05019	6.4
69.03421	2.8
70.02935	2.1
70.06580	11.1
71.04971	2.6
71.56974	2.8
72.08137	5.4
73.02916	1.9
74.02447	52.0
74.06060	1.8
75.03204	4.3
79.05493	9.3
80.05015	8.4
81.03408	5.3
82.06580	3.1
84.04487	8.1
84.08138	5.1
91.05435	3.0
92.77699	1.9
94.06572	11.2
95.04965	25.0
96.04492	3.2
97.02880	9.5
97.06505	2.5
98.98467	100.0
106.06542	10.4
107.04924	7.9
108.04501	2.6
109.05260	2.2
110.06043	14.3
110.07151	2.7
116.99484	5.5
118.06453	2.2
120.03274	2.2
120.08115	4.5
121.01676	5.9
122.02703	3.9
122.06040	16.3
123.04470	8.7
124.05206	2.8
128.03427	4.0
130.05011	4.5
130.08673	1.9
134.05966	12.1
135.04430	2.5
136.06187	41.5
139.02736	3.3
150.05495	4.6
151.03928	2.2
152.07051	5.8
155.05748	6.6
156.06570	3.9
168.06570	17.4
172.64977	1.9
174.99223	3.2
180.06531	2.9
186.07541	2.2
214.07033	4.6
232.08162	8.3
250.09349	16.4
250.12967	12.3
268.08350	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	249.1848
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
50.03275	0.9
53.03944	5.4
55.01859	3.5
55.05261	1.7
55.05508	17.9
56.96556	1.4
57.07061	1.4
60.81754	1.0
62.10913	1.1
62.72789	1.0
65.03929	1.5
67.05138	1.1
67.05502	28.1
69.07066	7.6
69.26575	7.8
69.26992	2.8
71.04983	4.5
79.05491	44.2
81.07057	20.7
83.04972	2.5
83.08621	8.3
85.06519	1.0
91.05478	33.4
92.05771	1.2
93.07041	42.8
93.07635	2.3
94.07375	1.5
95.04968	14.7
95.08608	24.4
97.06516	2.7
97.10165	4.2
98.21539	2.3
103.05491	1.2
103.85772	1.0
105.04482	2.7
105.07027	19.8
107.04955	100.0
107.08591	19.0
109.06512	3.2
109.10135	7.9
111.08081	1.5
117.07017	6.8
119.04961	1.1
119.08580	16.1
121.06516	10.6
121.10143	17.6
123.08057	3.2
123.11674	1.1
125.09605	1.3
128.06209	1.4
129.06998	4.7
131.04968	2.2
131.08574	6.5
133.06508	8.8
133.10124	14.1
134.99652	1.4
135.08038	2.7
135.11681	8.8
137.09572	2.2
141.06892	0.9
143.08548	4.2
145.06436	1.9
145.10109	2.9
147.08051	4.2
147.11707	6.1
149.09633	2.4
149.13228	1.2
151.11102	1.3
153.09123	1.0
157.06509	1.8
157.10130	3.1
159.11690	1.4
159.91418	0.9
161.09579	3.5
161.13242	3.1
165.62997	0.9
167.10687	1.4
169.09900	0.9
171.11690	1.7
175.14760	2.2
185.13228	5.0
187.14870	1.4
189.12770	1.1
189.16383	12.6
190.16766	1.0
191.08540	2.3
193.12178	1.2
193.50079	1.0
203.14311	2.4
203.17926	2.1
208.80737	1.1
213.12755	1.1
213.16382	2.2
219.07993	1.3
221.15387	4.6
231.13736	2.3
231.17442	3.6
235.07523	1.3
249.09096	3.7
249.14751	7.6
249.18506	22.7
267.16000	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.2211
Annotation	Heptadecatrienal
Peak:m/z	Relative Intensity
53.03941	21.2
55.01873	7.8
55.05507	34.2
57.03431	3.3
57.07063	8.0
59.04991	1.7
64.20296	1.2
65.03938	2.4
67.05502	65.3
69.03407	3.0
69.07066	49.1
70.04074	2.3
71.04977	3.2
71.08612	3.3
71.20674	3.0
79.05486	32.3
80.05754	1.2
81.03411	78.3
81.07051	63.6
81.07427	1.0
83.04973	16.9
83.08624	10.9
85.06531	2.9
85.10164	3.2
91.05476	19.3
93.07036	28.6
95.04965	42.8
95.08601	38.2
97.06524	7.7
97.10161	12.4
99.08086	2.7
105.07021	24.3
107.04932	2.2
107.08586	20.1
109.06513	10.5
109.10150	18.4
111.08047	2.9
113.09635	1.9
116.39229	1.6
117.07007	2.3
119.08579	21.8
119.09367	2.6
121.06492	3.2
121.10143	13.7
123.08050	4.6
123.11700	11.5
125.01556	4.4
125.06013	1.7
125.09618	3.0
128.06203	1.4
129.06985	8.3
131.08559	4.0
133.06532	3.6
133.10121	22.7
135.11671	7.9
137.09637	3.2
137.13258	2.9
139.07504	2.0
139.11249	1.6
145.10109	2.2
147.07986	2.1
147.11673	9.6
149.09639	3.2
149.13293	5.6
151.11176	45.7
151.14825	1.5
157.10101	2.8
159.11734	2.0
161.09599	5.7
161.13211	9.1
163.14851	2.1
165.12744	12.4
167.14316	2.0
171.11742	1.9
173.13290	2.1
175.14827	6.8
179.14319	8.7
189.12746	1.3
189.16455	2.7
191.17921	2.1
192.09261	2.1
193.10425	1.8
193.12270	6.9
193.15849	2.1
203.17999	2.4
206.10930	2.0
207.13771	2.8
213.16310	2.6
220.08849	1.4
224.93237	1.5
229.80547	1.4
231.17465	3.7
231.21075	9.7
234.10393	3.2
249.12915	9.5
249.16194	2.8
249.18521	36.4
249.22139	100.0
250.07515	6.6
250.18979	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1849
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
53.03934	6.1
55.01851	2.6
55.05507	15.4
56.96560	7.3
57.07053	2.3
59.04977	1.5
61.34905	1.3
65.03927	2.3
67.05502	24.7
69.03403	1.5
69.07063	14.2
71.04986	3.7
71.60734	2.5
72.21642	1.4
73.06523	1.4
79.05486	84.2
81.03371	2.3
81.07052	35.7
83.04958	2.5
83.08615	7.9
85.06517	3.0
91.05476	37.3
93.07036	100.0
95.04969	13.3
95.08597	21.8
97.06538	2.5
97.10167	2.2
101.06037	2.0
105.04494	2.4
105.07021	24.7
107.04950	3.5
107.08587	79.0
109.06500	5.7
109.10115	8.7
111.04423	1.7
111.08080	2.1
114.65063	1.5
115.05393	1.7
117.06993	2.4
119.08572	19.3
121.06525	2.8
121.10138	52.1
122.10520	1.4
123.08057	3.0
125.09639	1.9
129.06992	2.9
131.08572	4.0
133.06534	2.3
133.10114	14.6
135.08078	2.9
135.11671	26.3
137.05978	2.3
137.09572	2.3
141.09140	1.4
143.08543	3.2
145.10120	4.6
147.08043	2.7
147.11674	14.1
149.09622	3.1
149.13243	5.2
157.10141	3.9
159.11682	2.4
161.09561	2.9
161.13304	1.8
163.03157	1.6
163.11140	1.8
167.10637	1.8
171.11678	4.7
175.11174	3.0
178.07738	1.9
179.08583	16.0
185.04910	1.5
185.13228	2.9
189.12682	2.0
189.16373	4.5
193.12274	1.9
203.05997	2.1
203.14229	3.1
203.17935	2.9
207.13687	1.8
208.31056	1.5
213.04683	2.1
213.16405	4.8
214.05400	4.4
215.02594	11.4
219.11624	1.4
231.13969	1.7
231.17372	5.8
234.30023	1.4
248.96329	2.3
248.98700	29.2
249.02274	7.8
249.14685	3.2
249.16527	2.7
249.18513	58.8
249.22163	2.3
249.99323	2.4
250.18811	1.8
267.09024	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	249.1848
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
53.03945	6.9
55.01856	3.5
55.05506	14.4
55.46617	1.4
56.96548	5.5
57.07084	2.1
65.03924	3.2
67.05172	1.6
67.05505	27.6
69.07075	12.2
70.39128	1.5
71.04981	3.1
71.59714	1.8
79.05490	92.7
81.07047	36.6
83.04983	4.0
83.08604	8.7
85.06535	4.1
91.05476	41.3
93.07040	100.0
95.04962	15.0
95.08603	30.8
97.06487	2.9
97.10133	1.5
105.04512	2.5
105.07025	24.0
107.08588	80.5
109.06516	10.5
109.10157	15.9
115.05466	2.2
117.07014	4.7
117.57594	1.5
119.08569	14.9
121.06445	1.9
121.10133	75.1
123.08076	3.9
123.11710	3.4
129.06981	2.7
131.08600	7.7
133.10117	17.2
135.08029	2.6
135.11685	35.6
136.12041	1.3
137.09627	3.5
143.08533	3.9
145.10089	6.7
147.08098	1.5
147.11688	8.5
149.09595	6.3
149.13254	2.9
151.11169	2.8
153.09088	1.6
157.10143	3.9
159.11737	2.6
161.13249	2.1
165.09123	1.6
167.24034	1.3
171.11719	4.5
173.13374	2.1
175.11130	1.8
175.14865	2.3
178.07782	2.2
179.08540	9.8
181.07776	3.1
185.04878	1.4
189.12701	1.6
189.16417	3.4
191.14388	1.5
193.12257	3.9
203.05948	3.1
203.14273	2.6
203.17967	2.0
207.13774	3.4
213.04701	2.8
213.16411	7.2
214.05418	5.9
219.11777	1.6
227.11378	1.9
231.17552	6.6
245.12538	3.0
249.02281	5.3
249.14778	5.1
249.18510	82.1
250.18701	2.6
267.09039	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1849
Annotation	5-Hydroxy-8-methoxycalamenene
Peak:m/z	Relative Intensity
57.07076	37.2
62.87345	0.4
67.05496	1.5
69.07057	0.4
70.06182	0.4
79.05497	2.0
81.07042	1.8
91.05471	1.6
93.07046	2.5
94.45062	0.4
95.04986	0.8
95.08598	1.1
98.20694	0.9
105.07049	0.6
107.08599	1.6
119.08569	0.8
121.10146	2.5
131.08582	0.5
133.10129	0.8
135.11674	0.4
137.05980	14.6
161.09673	0.6
175.01770	0.4
175.11133	1.3
177.09123	0.9
187.37854	0.4
191.08546	0.7
193.12241	63.9
194.12563	1.7
217.15657	0.5
249.18500	100.0
250.18793	4.0
263.98172	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1847
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
53.03935	5.1
55.01875	7.9
55.05507	26.3
56.67986	1.5
56.96546	2.6
57.03427	2.7
57.07065	3.2
57.85739	1.3
65.03918	3.4
65.75140	1.5
67.05499	38.7
69.03412	2.1
69.07066	19.7
69.72581	7.7
70.04068	7.1
70.83568	1.6
71.04638	2.4
71.04990	30.1
79.05486	100.0
81.03406	6.1
81.07050	47.0
83.04932	6.0
83.08613	10.3
85.06514	2.3
85.33719	1.3
91.05471	43.6
93.07035	76.8
95.04963	14.1
95.08601	31.3
97.06513	5.8
97.10164	4.0
99.08074	3.7
103.05467	1.4
105.04485	2.2
105.07021	25.1
107.04959	10.4
107.08585	67.0
108.08907	1.9
109.06495	12.3
109.10143	11.8
111.04411	1.6
111.08070	3.4
113.05977	4.5
113.09591	2.9
114.45878	1.8
117.06986	4.5
119.08571	24.4
121.06479	4.1
121.10136	45.8
123.04459	1.8
123.08047	21.5
123.11668	2.5
125.01544	9.7
125.09620	2.1
129.06976	4.6
131.08554	5.8
133.10120	22.0
135.08058	4.1
135.11671	23.3
137.05945	8.7
137.09576	6.0
139.07550	3.7
143.08543	2.8
145.10115	5.5
147.08011	2.1
147.11647	11.3
147.63374	1.4
149.09633	3.7
149.13249	3.3
151.11189	2.9
157.10115	5.0
159.11642	2.3
161.09622	5.2
161.13268	7.6
163.11148	7.4
171.11642	7.2
175.11189	3.9
175.14882	1.7
177.12752	1.5
179.14302	31.4
185.04794	1.8
185.13237	2.6
189.12766	2.4
189.16364	6.9
193.12236	2.2
194.11728	1.5
203.17911	3.0
207.13776	3.1
213.16348	5.2
231.17409	8.4
249.07480	3.4
249.14792	5.3
249.18474	72.1
250.07446	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	249.1485
Annotation	(E)-5-(2,6-Dimethyl-5,7-octadienyl)-3-furancarboxylic acid
Peak:m/z	Relative Intensity
51.02360	0.7
53.03945	5.9
55.01861	2.9
55.05507	13.7
56.96553	0.7
57.03431	1.2
57.07047	1.1
65.03906	0.7
67.05503	17.1
69.03416	1.0
69.07063	6.0
71.04990	4.0
71.59205	0.8
77.03918	1.1
79.05491	40.8
81.03406	1.1
81.07057	12.7
83.04977	1.6
83.08607	5.6
85.06532	1.5
87.45022	0.6
91.05476	21.0
93.07041	30.7
95.04964	12.8
95.08601	18.8
97.06520	1.2
97.10147	2.8
103.05473	1.9
105.04494	1.4
105.07030	15.6
107.04951	100.0
107.08588	11.7
108.05276	1.5
109.06527	2.9
109.10140	3.4
113.05980	0.9
115.05447	1.1
116.11059	0.6
117.07001	6.1
119.04932	1.5
119.08584	9.0
121.06501	10.8
121.10133	7.7
123.08041	1.5
124.07605	0.6
128.06253	1.0
129.07011	4.9
131.04950	1.8
131.08578	2.7
133.06491	8.3
133.10123	4.1
135.08020	1.4
135.11682	2.9
137.05919	0.9
143.08560	3.9
145.06477	2.0
145.10046	1.3
147.08051	4.0
147.11682	3.1
149.09650	1.5
153.09073	0.7
157.06519	0.8
157.10165	1.0
159.11693	1.3
161.09622	1.0
161.13261	3.3
163.78311	0.6
171.11647	1.0
173.33107	0.6
175.11218	1.6
175.14824	1.4
185.13255	5.5
189.16359	1.6
191.08580	1.7
203.14328	2.7
213.12833	0.9
213.16373	0.6
219.08087	0.9
221.15366	5.4
231.13766	2.7
231.17426	0.9
242.07953	0.6
249.09250	3.6
249.11252	0.5
249.12213	0.8
249.14767	8.3
249.18498	6.4
250.09689	0.9
267.15961	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1485
Annotation	(Z)-5-(2,6-Dimethyl-5,7-octadienyl)-3-furancarboxylic acid
Peak:m/z	Relative Intensity
53.03947	3.3
54.23547	0.7
55.01863	2.8
55.05508	7.1
56.96552	2.6
57.03433	1.7
57.07070	0.8
62.66638	0.7
65.03931	1.4
67.05504	14.4
69.03412	0.9
69.07063	3.0
70.29099	1.3
70.29489	1.7
71.04988	4.6
79.05491	23.5
81.03408	1.2
81.07059	10.6
83.04974	3.0
83.08617	2.2
83.80997	0.7
91.05479	26.2
93.07051	14.5
95.04962	10.0
95.08607	17.0
97.06522	1.5
97.10169	1.4
105.04495	1.4
105.07029	8.6
107.04953	100.0
107.08577	4.8
108.05277	1.6
109.06517	2.6
109.10176	3.7
111.04478	1.2
115.05478	1.3
117.07021	3.0
119.04927	1.5
119.08602	4.6
121.06499	4.6
121.10144	2.1
123.04447	0.8
123.08046	0.9
128.06232	0.9
129.07042	4.6
131.04959	2.0
131.08571	2.5
133.06488	7.9
133.10127	3.8
135.08063	2.1
135.11678	1.6
137.05988	7.6
137.09634	1.2
143.08563	2.3
145.06476	2.0
145.10100	1.1
147.08081	3.2
147.11702	1.5
149.09541	1.1
157.06567	1.3
157.10103	3.1
161.09615	1.7
161.13158	0.8
175.11171	1.9
185.04848	1.1
185.09711	1.0
185.11780	0.7
185.13321	2.7
189.12689	1.0
191.08556	1.5
193.10130	0.9
197.17755	0.7
203.05963	3.3
203.14296	1.6
213.12741	1.8
231.13881	4.5
249.09209	1.6
249.14809	8.0
249.18512	1.5
249.22220	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1484
Annotation	[R-(E)]-6-(4-Formyl-3-cyclohexen-1-yl)-2-methyl-2,6-heptadienoic acid
Peak:m/z	Relative Intensity
52.24496	1.7
53.03940	4.7
55.01856	5.6
55.05520	14.9
56.96573	4.6
57.07072	2.0
58.68588	1.9
67.05511	26.9
69.07068	7.7
71.04986	3.0
71.58765	2.0
71.59122	2.2
79.05493	43.1
81.03423	2.6
81.07055	22.5
83.08620	5.9
89.50358	1.8
91.05478	33.9
93.07046	32.5
95.04972	19.3
95.08601	23.5
97.06528	3.2
98.26688	1.9
103.05485	3.0
105.04501	2.9
105.07035	23.9
107.04958	100.0
107.08561	14.1
109.06518	4.0
109.10165	6.5
115.05450	3.1
117.07006	9.9
119.08589	12.6
121.06516	19.9
121.10157	7.5
123.08064	3.9
128.06226	2.7
129.07001	11.2
129.41508	1.8
131.04939	3.3
131.08595	4.9
133.06485	17.0
133.10149	7.8
135.08037	15.9
135.11710	2.4
137.05957	4.5
137.09702	2.7
143.08583	6.5
145.06442	2.9
145.10167	3.6
147.08047	12.2
147.11678	3.8
149.09624	5.2
157.10103	3.2
161.09619	6.7
161.13269	5.8
170.24834	1.8
171.11681	4.6
175.11256	2.0
179.35277	2.2
185.09703	2.3
185.13307	9.6
189.12738	3.6
191.08492	2.2
195.11626	2.3
198.35814	2.0
200.01761	3.1
203.05977	2.9
203.14331	14.1
208.55402	2.0
213.12799	4.4
221.15346	3.4
231.13806	30.6
231.17500	3.0
249.09203	3.8
249.14851	29.7
249.18526	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	249.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98907	5.7
64.51728	5.1
69.03420	13.8
70.06573	8.8
71.57565	9.5
75.17052	6.3
78.86678	5.0
84.08128	11.0
85.02919	8.1
94.93013	100.0
97.02890	6.5
98.97581	5.8
101.00848	11.2
119.01924	49.4
121.01666	8.9
137.03015	7.2
143.05659	17.1
161.02954	7.1
173.02878	5.6
177.02414	16.6
206.88588	17.9
248.89636	9.1
249.03699	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	249.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93235	17.2
51.51294	17.2
59.29692	15.7
60.58920	16.9
69.86983	100.0
70.06600	29.0
72.08163	28.4
72.28733	17.1
77.72578	14.9
78.08040	20.8
84.08153	21.0
90.38834	18.1
91.07518	16.6
94.93023	59.1
97.02908	18.9
97.41830	17.6
104.54279	15.5
119.01888	88.7
131.01845	21.2
161.02951	22.7
177.02507	19.3
249.03818	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	249.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.8
56.85208	0.5
56.96566	2.9
57.03430	0.6
58.99869	0.8
61.02914	1.3
69.03416	1.0
70.86498	1.1
73.02911	0.7
77.00900	0.8
82.99841	1.0
84.08125	0.7
85.02890	1.3
86.99329	0.6
93.33674	0.5
97.02908	0.8
98.20783	0.5
98.97573	1.5
101.00870	17.6
103.02445	0.7
105.00352	0.9
113.00839	0.6
115.02435	1.7
116.98605	1.8
119.01913	100.0
120.02022	2.1
120.08073	0.7
121.03511	0.7
129.00314	0.8
131.01898	7.3
133.03464	1.8
134.99664	1.7
137.02948	29.9
138.03056	0.8
142.03485	1.7
143.01892	15.3
145.03465	6.3
147.01430	1.1
149.02959	2.0
157.03491	2.9
159.01410	5.5
161.02948	62.2
162.03059	1.6
163.04482	1.1
165.00652	0.6
171.01399	2.0
173.02953	3.6
173.54266	0.7
175.04533	1.5
177.00958	0.9
177.02422	18.6
179.00772	0.8
179.03975	3.7
184.04608	1.6
185.02982	0.9
186.02966	0.6
187.04308	0.8
189.02443	14.7
190.02541	0.6
191.03984	11.0
195.03506	0.7
200.54803	1.0
201.02422	2.6
203.04044	2.3
207.03461	7.5
219.03566	2.8
221.01773	0.6
221.05069	1.3
223.01274	0.6
231.03522	1.6
239.06090	1.1
249.04541	19.1
249.08401	0.9
267.05643	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.0
55.01863	13.2
55.05507	4.3
56.96551	12.4
57.03434	21.6
61.02924	5.3
67.05492	15.7
67.84487	3.7
68.99781	4.9
69.03070	6.6
69.03426	100.0
69.07064	10.0
69.81319	5.3
69.81729	15.2
71.01337	3.5
71.04980	14.5
73.02917	10.7
79.05497	18.0
79.59039	3.5
79.59499	3.6
81.03410	50.4
81.07055	15.2
85.02895	99.6
87.00831	43.3
87.04461	5.2
91.05458	12.6
93.07039	18.1
95.04968	8.1
95.08613	17.5
97.02887	53.6
97.06485	5.2
98.21478	4.8
99.04462	28.1
105.01874	30.4
105.07040	12.3
107.04987	7.3
107.08588	17.9
109.02860	30.7
109.10172	6.6
118.87280	4.2
119.08596	6.9
121.06462	5.4
121.10151	8.5
127.03904	64.6
133.10155	6.3
137.09641	3.8
145.04935	5.9
147.11703	4.5
161.13333	4.6
203.05795	5.8
231.04997	6.8
249.06586	7.4
249.14798	9.8
249.18532	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	248.1645
Annotation	Ketobemidone
Peak:m/z	Relative Intensity
70.16430	0.4
70.16840	0.6
73.02357	0.1
76.49785	0.2
98.20786	0.2
117.05743	0.3
118.06533	6.3
131.07292	0.3
131.08588	0.3
132.08061	2.8
133.08830	0.8
134.09625	0.5
144.08092	0.6
146.09607	2.0
152.43246	0.2
158.09653	0.2
160.11215	0.7
172.11159	0.3
174.12811	0.9
176.14328	14.2
177.14807	0.2
187.78104	0.2
190.08614	13.0
191.09184	0.4
194.81436	0.2
202.15897	2.9
203.16696	1.3
204.10185	6.4
205.10939	1.8
206.11700	0.3
218.11736	5.2
219.12238	0.2
220.13329	0.2
232.13321	0.4
248.16434	100.0
249.16702	1.5
263.08328	0.2
269.38788	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.01865	1.1
55.05511	3.2
56.05031	14.8
56.59195	0.6
56.96551	1.6
67.05501	7.3
68.05011	0.8
69.03429	3.1
69.07053	3.1
70.06574	2.7
71.04984	1.2
71.59426	0.8
71.59795	0.8
72.04504	1.0
72.08129	2.7
72.93754	0.8
79.05492	3.1
81.03397	1.6
81.07048	9.2
83.04999	0.7
83.08619	1.4
84.04492	1.5
84.08137	2.2
85.02896	2.9
86.09716	0.8
87.00810	0.6
87.04468	1.0
91.05476	4.6
93.07024	2.1
95.04945	0.7
95.08595	1.1
97.02875	1.7
97.06508	0.9
98.97590	0.6
99.04448	1.0
100.05088	6.1
105.07018	2.6
107.04943	5.1
107.08581	2.4
108.04459	0.8
109.02811	1.0
109.06501	0.6
109.10126	2.1
116.98635	0.8
120.08116	1.0
121.02837	4.8
121.10120	1.0
123.11716	2.3
126.05617	0.7
127.03866	1.4
130.06479	1.1
131.08644	0.6
133.05093	2.9
133.10086	3.2
134.37340	0.7
134.99585	1.1
136.07614	0.8
138.05484	3.0
140.14331	1.1
146.99554	0.9
148.85101	0.6
150.07741	14.0
150.12813	1.4
151.11198	1.7
156.07979	0.7
163.26608	0.6
168.13828	63.3
169.14140	0.9
175.08656	0.7
177.14638	1.2
186.14876	100.0
187.13281	0.8
187.15215	0.6
205.77673	0.6
206.09250	0.7
209.60182	0.6
230.17467	9.9
248.08534	0.7
248.12817	1.3
248.14874	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	248.1645
Annotation	Ketobemidone
Peak:m/z	Relative Intensity
55.05512	1.5
56.96567	0.6
57.03448	0.6
59.05003	1.5
66.10712	0.3
67.05510	0.6
69.03417	0.5
69.07063	8.6
70.37643	1.2
72.08134	0.4
73.06551	5.3
75.04005	0.3
75.45547	0.3
79.05473	0.7
80.05001	0.6
81.03397	0.4
83.04976	0.6
91.05470	0.9
92.04998	0.5
93.05767	0.7
93.07049	0.7
98.97591	0.5
105.07062	0.7
106.06567	0.5
107.04964	1.7
107.08590	0.6
111.04403	0.6
115.05446	0.7
117.07014	2.1
118.06538	11.5
119.07321	10.1
121.06470	1.6
130.06516	0.5
132.08096	0.7
134.09647	100.0
135.04428	0.5
135.10001	0.9
140.16737	0.4
144.85316	0.3
157.07556	0.6
174.12531	0.3
231.07709	0.4
236.10587	0.3
248.16451	98.0
249.16798	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1642
Annotation	Ketobemidone
Peak:m/z	Relative Intensity
51.48067	0.1
52.06695	0.1
55.55096	0.2
56.96554	0.3
67.05496	0.2
67.81328	0.1
69.91671	0.1
70.06595	0.2
70.16566	0.2
70.16977	0.5
81.07033	0.3
84.21774	0.1
91.05476	0.3
93.07023	0.2
95.04937	0.2
98.97586	0.3
100.72015	0.1
102.17047	0.1
105.07009	0.4
107.04920	0.6
109.10133	0.3
110.08192	0.1
112.99062	0.1
116.98605	0.4
117.05766	0.3
117.90314	0.1
118.06532	6.1
119.07275	0.2
119.08556	0.2
121.06494	0.2
123.63369	0.2
127.38017	0.1
131.07278	0.2
132.08084	1.5
133.08830	0.6
134.09604	0.3
134.99603	0.2
144.08076	0.5
145.08798	0.3
146.09641	2.0
147.10416	0.4
159.10378	0.2
160.08743	0.2
160.11177	0.5
172.11179	0.3
174.12781	1.0
176.14330	14.9
177.00711	0.2
177.14732	0.3
179.09723	0.2
183.73018	0.1
190.08614	16.1
191.08986	0.3
193.15877	0.4
202.08592	0.2
202.15865	2.3
203.16644	1.1
204.10182	2.6
205.10925	0.8
218.11746	4.5
232.13333	0.4
232.47398	0.2
248.16432	100.0
249.16757	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	248.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18007	1.1
56.36388	1.1
57.07072	18.0
58.06601	6.2
64.71376	1.1
69.03438	1.1
69.07027	1.2
71.60030	1.7
71.87289	1.2
79.05437	1.2
87.04409	1.1
91.05460	4.0
105.07024	35.7
112.31388	1.2
115.05434	1.5
117.05761	7.2
118.06534	10.1
119.08481	1.5
124.76525	1.2
131.08560	8.4
132.08084	38.6
133.06483	40.2
150.09129	89.9
175.07518	5.0
184.80673	1.2
184.93645	1.2
188.14334	7.9
192.10182	100.0
193.10419	1.4
248.16444	45.6
256.89151	1.2
261.63446	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1504
Annotation	Peramine
Peak:m/z	Relative Intensity
53.33192	0.7
55.05519	1.6
55.93518	0.7
56.05043	1.2
56.51941	0.6
56.96557	2.9
57.03437	1.5
67.05507	1.4
68.05009	0.9
69.03427	0.9
69.07059	2.1
70.06586	1.5
71.04991	1.3
71.24484	1.4
72.08144	2.7
74.97591	0.9
78.68329	0.7
79.05494	2.4
81.03421	2.1
81.07052	4.3
81.23660	0.7
84.04490	1.4
84.08152	3.8
86.09679	5.2
90.94797	0.7
91.05482	1.0
94.04076	1.1
95.04964	1.1
97.02928	1.0
98.97582	1.6
103.05459	0.7
107.04969	6.1
108.08132	0.9
109.02869	1.8
109.05137	3.4
109.07641	3.3
109.41488	0.6
110.03727	0.6
110.07124	1.4
116.98611	2.0
118.00951	0.8
120.08112	4.4
120.36762	0.7
129.10257	1.2
130.08588	1.0
133.05090	3.3
134.88640	0.6
134.99664	1.3
136.07515	0.6
140.14345	4.7
142.08586	3.2
146.99706	0.9
147.11166	0.6
150.07736	100.0
150.96852	1.3
157.87714	0.7
159.04478	0.7
161.01149	1.1
186.14894	11.1
191.05743	0.8
204.14928	3.0
230.13812	0.8
248.09247	2.6
248.15034	62.2
249.15335	1.4
258.09094	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93538	0.3
51.79688	0.3
53.03942	0.9
55.01867	0.5
56.96552	1.3
60.04523	0.3
67.05490	0.9
68.05001	0.4
69.03410	0.5
69.07054	1.0
70.06585	1.8
71.04981	0.3
71.59113	0.5
72.08143	0.9
79.05485	18.5
81.03405	0.9
81.07040	0.6
83.01337	3.0
83.04980	1.1
84.08133	0.9
86.06065	0.4
86.09698	1.1
94.06568	0.5
95.04964	2.4
97.02873	0.4
97.06522	8.5
98.97578	0.6
100.05118	0.4
103.16885	0.4
103.17569	0.3
105.04482	0.5
107.04942	100.0
108.05280	1.3
109.02852	0.6
113.06003	0.8
115.05465	0.4
116.98617	0.5
120.08085	0.5
124.07599	4.4
125.05978	14.0
128.64156	0.3
134.99651	0.7
135.70238	0.3
136.06175	1.2
140.07069	0.7
142.08620	77.2
143.08984	0.7
144.02257	0.3
148.06177	0.6
149.07025	0.5
150.07745	2.4
150.96872	0.6
159.02644	2.1
177.00650	0.5
193.00275	0.6
211.73340	0.3
214.47737	0.3
220.08278	0.7
248.07397	1.5
248.12813	23.4
248.14952	1.5
248.99123	0.3
249.12991	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2056
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
53.03949	2.2
55.01870	2.1
55.05513	11.6
56.96559	3.8
57.03422	3.7
57.07066	2.7
58.64750	1.3
65.03906	1.3
67.05511	36.5
69.03426	1.9
69.07072	8.8
70.19270	1.0
70.60339	1.1
71.04990	3.3
71.59640	1.5
76.34291	0.9
79.05495	35.6
81.03432	2.0
81.07059	100.0
82.07393	2.2
83.04990	1.6
83.08592	3.4
85.06534	3.7
91.05476	14.5
93.07043	27.8
95.04970	9.1
95.08607	20.0
97.06525	2.3
97.10149	1.4
99.08091	2.8
105.07030	11.4
107.04940	2.7
107.08593	20.6
109.06521	34.2
109.10159	10.1
111.08066	1.2
112.12750	1.0
117.07005	5.1
119.08583	13.5
121.06507	3.0
121.10144	16.2
123.08071	6.6
123.11725	7.5
125.09644	1.8
126.02239	1.0
129.07083	1.2
131.08574	11.2
133.10144	8.7
135.08064	6.5
135.11711	10.1
135.19469	1.0
136.69890	1.0
137.09653	3.5
137.13237	1.4
139.32768	1.2
145.10147	8.2
147.11653	6.9
149.09613	2.9
149.13260	8.4
151.11115	2.5
159.11732	7.4
159.57918	1.1
161.13289	2.8
163.11205	3.4
163.14890	3.5
165.12726	2.4
169.05095	1.3
173.13223	8.5
175.14844	2.8
177.12750	3.1
179.14375	1.3
187.14833	4.3
189.16350	1.4
191.14262	1.6
205.15858	1.9
219.10919	1.4
229.19508	11.3
247.10062	1.7
247.13354	1.5
247.16885	2.3
247.20590	39.6
247.24472	1.8
248.06956	2.1
248.20955	1.7
265.11038	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	6.5
56.96561	85.7
57.03427	8.0
59.87864	5.3
67.05481	12.0
69.03421	9.1
70.06573	12.5
70.16425	24.2
70.16821	9.6
71.34418	5.4
74.97587	7.9
80.64907	5.9
81.03413	7.7
84.08124	20.1
85.02877	9.0
86.09701	62.1
88.99139	6.0
94.06580	11.2
98.06031	6.6
98.97575	94.0
107.04927	25.5
110.07154	5.7
116.98614	97.9
119.01892	8.2
122.06017	13.6
131.99643	6.8
134.01270	6.2
134.99654	83.5
139.06119	25.0
142.01620	21.6
142.09683	5.5
150.05466	39.9
150.99113	10.4
153.00716	11.6
158.04866	7.1
159.14774	7.2
160.02751	6.4
160.06412	8.8
165.00648	6.4
169.00240	6.7
171.01765	5.7
188.05959	7.7
189.04364	10.8
190.09258	9.6
206.06963	10.9
207.05374	12.4
208.10310	41.5
224.08051	19.2
230.06955	26.3
230.13811	10.5
248.04420	27.1
248.08006	100.0
248.10452	8.7
248.14694	11.3
266.09045	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	247.2055
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
51.02368	1.5
52.70333	1.1
53.03933	5.1
53.92519	1.2
55.01858	1.6
55.05269	1.0
55.05507	15.6
57.03424	2.5
57.07073	34.5
60.25750	1.1
62.14156	1.1
65.03927	2.0
67.05499	44.9
69.07065	15.4
71.04964	2.1
71.11423	1.7
71.11759	1.9
79.05486	86.4
81.07053	42.6
83.04974	1.4
83.08588	6.3
85.06525	3.9
91.04892	1.7
91.05475	43.1
93.07038	100.0
95.04967	9.7
95.08603	29.2
97.06516	3.7
98.98433	4.5
103.05457	1.2
105.04498	2.0
105.06374	2.0
105.07026	27.4
105.07741	1.6
107.08587	45.7
109.06500	2.5
109.10159	12.7
111.08102	1.3
117.07005	12.4
119.08563	19.1
121.06499	3.5
121.10132	42.6
123.08039	1.3
123.11691	4.3
125.09624	1.2
129.06960	1.4
131.08548	18.4
133.10130	17.8
135.11681	52.9
137.09625	1.8
142.81378	1.6
145.10118	13.3
147.11682	15.2
149.09601	1.6
149.13251	18.3
159.11667	10.5
161.13248	6.0
163.14798	2.5
171.11765	1.4
173.03632	2.6
173.13263	8.8
175.14709	2.1
187.14795	6.5
191.04692	3.1
201.16437	2.1
205.15854	1.8
226.62898	2.0
229.09848	5.6
229.19492	10.5
235.63170	2.2
247.10944	5.3
247.16724	2.9
247.20549	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	247.2057
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
51.33995	1.2
53.03939	2.2
55.01864	2.0
55.05271	1.2
55.05515	17.9
55.33485	1.0
56.96558	3.0
57.03438	10.1
57.07069	1.9
58.66162	1.0
64.83314	1.3
65.03928	3.5
67.05505	31.0
69.06783	1.1
69.07077	11.5
70.19487	3.9
71.04988	2.8
72.08142	2.0
75.11808	1.1
78.21862	1.2
79.05065	2.3
79.05494	33.5
80.48465	1.1
81.03422	1.4
81.07059	30.9
83.04980	1.7
83.08603	4.8
85.06541	4.2
91.05484	47.1
93.07047	43.3
95.04961	5.0
95.07994	1.2
95.08607	24.1
97.06533	4.0
97.10160	1.2
98.97590	1.3
99.08060	3.6
104.99271	1.8
105.07033	48.3
107.04949	2.3
107.08603	23.4
109.06520	2.9
109.10173	8.8
111.08079	2.2
113.09663	1.5
115.05448	2.2
116.98590	1.7
117.07022	19.7
119.08590	41.8
121.02850	6.6
121.06479	2.2
121.10144	38.7
122.10438	1.8
125.09654	1.7
129.06996	3.3
130.07719	1.8
131.08577	31.0
133.06447	1.4
133.10136	29.3
135.08064	1.9
135.11688	16.2
137.09628	2.9
143.08629	1.9
145.10127	38.5
147.11687	41.0
149.09605	1.6
149.13255	10.4
151.11163	3.7
157.10146	2.3
159.11696	58.0
160.12361	1.1
160.38280	1.3
161.13263	31.1
163.11119	1.5
163.14813	2.4
171.11665	1.4
172.95049	1.6
173.13277	18.3
175.03836	1.4
175.14865	11.7
187.14812	4.0
201.16234	2.5
229.12230	1.5
229.19492	25.1
247.13368	3.2
247.16736	3.4
247.20584	100.0
248.16612	1.3
248.20720	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2053
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
51.80170	0.7
53.03929	1.6
54.38385	0.5
55.01869	3.1
55.05504	16.8
56.96552	1.5
57.03417	1.2
57.07066	4.1
60.08005	0.6
65.03912	1.6
67.05497	26.4
69.03429	1.2
69.07062	13.8
70.31032	0.7
70.31367	2.3
71.04971	1.7
71.08614	1.1
72.08143	0.6
79.05483	27.9
79.26749	0.5
81.03402	1.1
81.07047	33.1
83.04970	4.2
83.08604	4.6
85.06512	1.6
91.05472	18.6
93.07032	40.1
95.04957	11.3
95.08597	20.3
96.48923	0.5
97.06506	4.3
97.10133	2.2
98.21449	0.6
98.43320	0.6
101.38297	0.6
105.07018	14.8
107.04946	8.7
107.08582	22.3
109.06499	7.4
109.10149	10.4
111.08089	1.4
115.05453	0.8
116.06202	0.9
117.07006	7.2
119.08559	9.8
121.06487	7.0
121.10131	19.1
123.08038	4.6
123.11698	4.5
125.09599	1.0
129.06898	0.8
131.08560	10.3
133.10117	10.6
135.08043	5.3
135.11671	12.3
137.09599	2.9
137.13243	0.9
139.11192	1.0
145.10100	10.1
147.11690	7.2
149.09590	7.0
149.13258	9.9
151.11179	4.5
153.09036	0.9
159.11687	7.5
161.13237	3.8
163.11153	8.3
163.14783	2.4
165.12729	2.3
173.13235	6.2
175.14774	1.8
177.12686	3.9
177.16289	0.8
179.14322	0.9
187.14751	3.8
189.16351	1.4
191.14247	6.2
201.16365	0.6
203.18004	0.9
205.15886	1.6
218.95004	0.7
219.21063	1.6
229.19498	11.1
247.17006	3.0
247.20543	100.0
248.07053	1.0
248.20920	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	247.2056
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
53.03942	3.3
55.01873	3.2
55.05511	18.7
56.96561	4.3
57.03414	3.2
57.07067	6.6
65.01257	2.0
65.03943	2.7
67.05169	3.7
67.05510	44.9
69.03436	2.8
69.07073	20.9
71.05000	2.3
71.08635	3.2
71.58663	2.8
79.05496	52.3
81.07060	75.9
83.04997	2.7
83.08622	7.5
85.06543	2.8
91.05488	32.4
93.07046	61.7
95.04976	13.3
95.08602	36.0
97.06520	4.4
97.10191	4.1
105.07038	26.6
107.04977	7.0
107.08591	41.2
109.06515	16.3
109.10145	18.2
111.08113	2.8
117.07005	11.7
119.08578	22.5
121.06523	5.2
121.10140	37.7
123.08044	9.3
123.11710	9.4
125.09583	3.5
130.07806	2.5
131.08571	16.9
133.10144	17.2
135.08049	8.9
135.11676	25.0
137.09581	7.1
145.10114	17.0
147.11710	11.8
149.09618	4.9
149.13237	15.3
151.11165	6.5
159.11687	13.0
161.13232	5.8
163.11189	6.7
163.14838	5.4
173.13306	12.0
175.14850	4.4
177.12758	3.8
187.14940	2.8
189.16397	3.6
191.14336	2.9
201.16425	4.5
205.15903	2.3
229.19548	24.1
247.13177	7.0
247.16928	5.4
247.20592	100.0
247.24510	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	247.2053
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
50.89466	1.2
53.03935	2.2
55.01855	3.8
55.05257	1.5
55.05505	20.4
56.96555	1.7
57.03421	3.3
57.07068	5.3
63.49707	1.0
65.03922	3.0
67.05500	44.5
69.03422	2.2
69.07060	13.8
71.04972	2.9
71.26764	1.5
71.27098	2.2
75.83555	1.0
76.59743	1.3
76.65693	1.0
79.03173	1.0
79.05488	34.7
81.03405	2.1
81.07050	71.7
82.81730	1.2
83.04966	3.2
83.08618	6.3
85.06524	3.3
90.96249	1.3
91.05473	22.4
93.07037	41.3
95.04964	8.8
95.08597	29.4
95.37380	1.1
97.06539	7.4
97.10155	2.8
98.15141	1.4
99.08077	2.7
104.47581	1.2
105.06390	1.9
105.07030	19.7
107.04935	5.9
107.08582	25.8
109.06499	18.6
109.10144	19.0
109.10842	2.2
111.08078	2.1
117.07021	9.9
119.08565	17.7
121.06510	4.4
121.10130	25.5
123.08050	7.1
123.11708	10.1
125.09613	2.4
131.08554	13.8
133.10109	16.5
135.08121	5.6
135.11678	14.4
137.09595	9.7
137.13263	2.2
139.11157	1.2
139.83444	1.2
143.08464	1.5
145.10121	14.3
147.11673	10.0
149.09589	6.7
149.13251	9.6
151.11198	13.0
157.10094	1.3
159.11665	10.1
161.13263	4.5
163.11203	8.5
163.14786	4.3
165.12735	6.8
173.13275	7.3
175.14882	3.8
177.12740	4.9
179.14204	3.0
185.13246	1.2
186.14047	1.3
187.14807	5.1
189.16333	3.3
191.14249	3.5
201.16345	2.5
203.17865	2.2
205.15822	2.5
205.98904	1.4
229.19479	37.7
247.16953	5.5
247.20554	100.0
248.11678	1.5
248.20926	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	247.2054
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
53.03931	5.1
55.01856	4.8
55.05513	17.6
56.96555	5.6
57.03419	6.3
57.07073	5.4
62.85448	1.8
65.03889	2.0
67.05181	3.5
67.05505	49.7
69.03419	2.6
69.07065	13.6
69.38497	17.7
70.06586	2.8
71.04980	5.5
72.08155	2.4
79.05489	48.5
81.03416	2.4
81.07056	100.0
83.04960	5.5
83.08599	7.0
84.04468	1.6
84.08134	2.8
85.06522	2.4
91.05480	33.7
93.07045	46.9
95.04948	11.3
95.08052	3.1
95.08602	34.2
97.06521	7.5
97.10149	3.5
99.08081	4.2
105.07029	28.9
107.04942	8.7
107.08580	32.3
109.06514	24.6
109.10138	16.4
117.07009	14.7
119.08585	22.0
121.06490	4.9
121.10143	29.7
123.08072	6.7
123.11720	11.2
125.09621	3.6
129.07037	3.2
131.08578	20.2
133.10130	15.2
135.08015	9.0
135.11662	14.4
137.09590	9.8
139.37041	1.9
145.10107	16.1
147.11716	9.6
149.09627	7.2
149.13266	9.4
151.11192	8.7
159.07986	2.8
159.11659	17.1
161.13223	6.6
163.07353	2.2
163.11157	8.1
163.14859	2.4
165.12730	3.7
173.13206	11.1
175.14828	4.0
177.12587	2.8
179.14340	4.2
179.73715	2.0
185.13234	2.0
187.14824	6.4
191.14337	3.0
219.17352	2.2
220.07579	2.2
229.19478	22.8
247.07658	4.1
247.13321	2.3
247.16908	14.3
247.20573	87.4
247.24400	14.6
248.07458	3.2
248.20885	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	247.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58356	0.9
54.40556	0.9
55.01849	3.0
55.05508	9.2
56.05021	2.0
56.96552	3.5
57.03436	6.5
61.01148	44.7
65.03905	1.3
67.05233	0.8
67.05504	9.2
69.07047	5.2
70.06561	1.2
71.04976	1.0
71.59750	1.0
71.60169	1.6
72.04505	3.8
72.08134	4.2
77.33149	1.0
78.03793	10.1
79.05490	17.4
81.03406	1.8
81.07051	100.0
83.04976	2.1
83.08607	1.8
84.08132	1.5
85.02872	1.4
86.06058	52.3
86.09730	1.3
87.02685	17.5
88.02219	2.8
91.04963	1.5
91.05479	16.9
93.07040	10.4
94.73292	1.0
95.04961	4.0
95.08594	6.3
97.02877	1.3
97.06509	3.5
98.06037	4.9
98.09738	1.5
99.08088	9.1
102.03761	14.8
103.02158	3.3
105.07027	17.1
107.04922	4.4
107.08594	6.9
108.74706	1.0
109.06472	3.8
109.10133	3.0
110.09652	4.7
113.05955	1.2
115.05801	13.1
115.08701	7.9
117.07013	6.1
119.04883	1.0
119.08567	11.0
120.04795	14.9
121.02837	1.3
121.06480	4.0
121.10133	6.4
123.08066	1.9
129.06978	2.3
131.06390	7.6
131.08572	7.4
132.04791	5.7
133.06474	1.4
133.10139	9.9
134.06067	1.5
135.08037	3.8
135.11700	2.5
137.09605	1.8
141.06967	1.6
143.08517	2.3
145.06534	1.8
145.10115	11.9
147.11681	3.0
149.07436	44.5
149.09453	5.8
151.07474	1.4
151.11215	1.4
152.10661	1.5
157.10092	1.9
158.09979	20.1
159.08382	51.5
159.11678	4.2
161.09633	1.9
163.11134	2.6
165.09082	1.9
169.10141	3.8
173.09653	2.1
173.13235	2.8
174.09424	1.5
176.11032	2.3
176.14294	2.4
177.00710	1.5
177.09117	1.2
185.11171	2.3
185.13206	2.3
187.11131	3.3
187.14804	4.6
201.16374	4.6
203.12166	2.3
206.15419	1.2
211.12825	2.0
211.14836	3.9
219.17445	2.1
220.13431	1.1
229.13742	51.2
229.15868	10.8
230.12048	2.1
247.07655	2.0
247.14699	31.7
247.16974	31.4
247.19696	1.8
247.20543	2.1
248.12796	5.0
248.16664	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	247.1691
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
55.01857	6.4
55.05495	9.3
56.96550	9.3
57.03431	2.5
57.07073	11.4
59.04982	4.1
67.05492	15.4
69.03413	9.7
69.07066	14.7
71.04981	5.2
72.08154	4.2
77.05223	1.9
79.05479	20.9
81.03398	3.8
81.07050	29.3
83.04959	7.1
83.08601	6.1
85.06526	7.8
91.05473	35.3
93.06470	3.1
93.07037	39.8
95.04961	33.3
95.08598	31.4
97.06501	2.9
98.97542	2.0
99.13947	2.2
99.33521	2.0
103.05447	3.2
105.07019	47.9
105.92157	1.9
107.04931	8.9
107.08591	40.0
109.02886	2.7
109.06506	14.6
109.10184	10.9
111.04427	2.1
115.05452	4.1
117.07001	17.5
119.07782	3.5
119.08571	41.2
121.02887	4.7
121.06506	11.4
121.10138	32.0
123.08038	9.2
123.11712	3.7
128.06186	5.0
129.07010	9.8
130.07779	9.0
130.08655	2.3
131.08563	30.6
133.06403	2.4
133.09210	3.3
133.10123	30.6
135.08044	26.1
135.11678	9.0
137.09610	5.0
139.11192	2.5
141.06911	4.6
142.07765	3.2
143.08502	9.9
144.09328	7.1
145.06462	5.8
145.10109	71.2
147.08040	29.2
147.11674	20.6
149.09613	24.9
149.13188	2.6
151.11174	3.5
153.92216	2.6
154.07779	2.1
155.08505	7.7
156.09265	2.4
157.10085	11.5
158.07195	4.0
158.10880	2.4
159.08028	7.5
159.11673	35.9
160.12415	2.7
161.09598	8.2
161.13232	8.5
163.11201	11.6
169.10120	10.9
170.10851	3.0
171.11678	11.4
173.09610	28.7
173.13272	10.8
176.14209	4.6
177.09117	3.8
181.10124	2.9
183.11597	5.1
185.13229	6.5
186.10388	2.9
187.11211	12.7
187.14758	13.7
189.12714	7.6
191.10713	19.8
196.12445	3.9
199.11209	12.0
201.04205	3.2
201.12642	4.8
201.16376	19.4
203.14247	4.9
205.15800	2.6
211.14822	19.3
214.13487	18.7
229.15840	52.7
235.79384	2.0
247.13147	4.0
247.16895	100.0
247.20744	4.4
247.24113	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	247.1327
Annotation	[2R-(2alpha,4aalpha,8abeta)]-1,2,3,4,4a,7,8,8a-Octahydro-4a-methyl-alpha,8-bis(methylene)-7-oxo-2-naphthaleneacetic acid
Peak:m/z	Relative Intensity
53.03919	3.8
55.01860	1.5
55.05487	4.9
56.96554	2.0
65.03923	4.6
67.05489	4.2
67.34102	1.4
68.99751	1.7
69.03424	19.6
69.26127	14.1
72.08147	2.4
79.05474	7.3
81.07044	6.5
83.04971	20.0
85.02894	2.8
90.29805	1.3
91.05470	42.8
93.03368	5.4
93.07045	12.2
95.04948	5.3
95.08584	3.0
97.02878	6.7
98.97559	4.7
105.07008	10.9
107.04929	2.5
107.08582	12.7
109.02866	11.5
109.06513	12.2
109.10146	3.9
110.83032	1.4
111.04432	4.6
115.05441	3.7
116.98591	4.7
117.07005	10.8
119.08569	14.7
121.02835	3.4
121.06496	15.7
121.10108	4.5
123.08051	3.1
127.03865	2.0
127.29607	1.5
128.06187	4.2
129.06935	3.9
130.07819	1.6
131.08560	15.9
133.10127	10.0
135.08043	26.5
137.05942	2.3
137.09587	2.9
139.03893	1.6
141.06958	2.3
142.07765	2.2
143.08528	12.3
144.09335	9.2
145.06477	11.7
145.10101	12.9
147.07986	4.6
147.11679	2.0
149.09598	21.3
150.10384	2.7
151.11156	3.8
153.06964	3.3
153.09117	1.5
155.08519	4.2
157.01787	1.4
157.10094	2.8
158.07245	2.4
158.10895	11.3
159.08047	8.6
159.11676	26.7
160.08818	4.2
161.09627	4.5
163.07512	19.9
163.11160	2.3
168.09277	5.9
170.10901	5.5
171.08017	6.5
172.08801	18.9
173.05962	1.8
173.09616	28.7
173.13251	31.9
175.02750	2.3
175.07553	1.8
176.14302	1.5
181.06297	1.5
183.11722	7.6
185.09641	2.1
185.13264	2.8
186.10393	20.2
187.11168	100.0
189.09093	1.9
191.07008	34.7
196.08806	4.8
199.07603	2.1
201.12721	53.9
205.12222	7.0
211.11121	11.3
214.09845	2.5
219.01758	2.7
219.13771	5.7
229.08759	1.6
229.12212	50.9
247.13264	71.0
248.13675	1.6
261.02847	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1328
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03944	3.1
55.05485	5.8
55.05724	1.4
56.96550	2.1
57.07048	1.3
58.42115	1.2
58.89630	1.4
65.03914	4.2
66.29229	1.3
67.05480	5.0
69.03423	19.8
69.07047	2.2
69.60920	4.1
69.61349	6.4
70.04091	1.8
72.08139	2.2
79.05492	8.3
81.07050	12.8
83.04552	1.6
83.04978	20.1
85.06542	1.5
91.05476	16.8
93.03365	4.4
93.07042	15.5
95.04948	8.0
95.08626	3.0
97.02911	8.8
103.05433	1.4
105.07031	14.7
107.04936	3.8
107.08595	13.1
109.02869	11.6
109.06517	10.0
109.10146	2.6
111.04408	4.2
111.08059	2.1
115.05453	2.9
117.07005	10.1
119.08563	16.8
120.90959	1.4
121.02854	4.6
121.06497	17.7
121.10127	8.2
123.00703	1.6
123.04387	1.6
123.08076	1.6
128.06203	3.3
129.06993	7.8
130.07753	2.0
131.04851	1.3
131.08553	19.3
132.05659	2.9
133.06471	1.7
133.10127	10.8
135.08038	26.1
136.46405	1.3
137.05945	4.6
137.09615	5.5
138.90141	1.6
139.03781	1.5
141.06992	1.9
142.07744	2.9
143.08559	12.9
144.09331	7.6
145.06480	14.0
145.10129	15.3
147.08022	4.6
149.05928	1.5
149.09599	22.5
150.10309	3.9
151.11119	3.9
153.06935	2.0
154.07813	1.6
155.08530	6.3
157.10097	4.4
158.07198	2.8
158.10890	9.6
159.08047	13.4
159.11670	25.6
160.08821	4.1
161.09586	5.4
163.07544	19.4
163.11162	3.2
165.09142	2.0
168.09317	4.9
169.10077	3.1
170.10858	3.8
171.08009	7.4
172.08824	16.1
172.10158	2.3
173.05902	1.8
173.09631	32.9
173.11710	2.3
173.13225	32.2
175.07399	1.9
177.09090	1.6
183.11696	10.1
185.09702	1.9
185.13188	3.4
186.08922	1.8
186.10411	19.4
187.07550	2.9
187.11168	100.0
188.11621	1.8
189.09132	1.7
191.07019	38.1
193.10083	1.7
196.08788	5.8
199.07478	2.8
201.12737	52.2
202.13150	1.7
203.14352	2.2
205.12186	4.8
211.11156	11.4
214.09891	3.1
219.13734	4.1
229.12206	62.0
229.15724	3.1
247.13260	79.0
247.16792	6.9
261.14072	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05003	0.5
56.96524	1.3
67.05476	0.5
69.03385	0.5
70.06548	1.3
70.45750	0.3
71.59658	0.4
72.08154	1.4
72.93743	0.7
79.05462	0.5
80.04957	0.3
81.03387	0.5
81.07013	0.4
83.17682	0.3
84.04450	1.1
84.08102	0.7
85.02869	0.5
86.09678	1.6
90.94810	0.4
91.05447	0.8
93.07034	0.5
95.06080	0.3
97.02878	0.4
98.97575	0.3
99.54467	0.3
105.06987	0.4
105.13091	0.3
106.06539	1.4
107.04297	0.6
107.04945	6.5
108.05267	0.8
116.04923	1.4
116.98572	0.4
119.08545	0.4
120.08051	0.9
122.05996	0.5
132.04457	2.7
132.10184	0.4
132.95779	0.4
133.02859	1.4
134.06001	8.9
136.06140	1.3
144.02751	0.4
144.04425	4.7
148.06329	0.3
150.07736	0.7
159.05539	2.8
160.03857	0.3
161.07079	3.5
162.05496	5.6
169.03949	3.7
174.97951	0.4
176.13893	0.3
178.04976	2.5
186.06590	2.3
187.05003	42.7
188.05342	0.5
198.96834	0.5
203.33759	0.3
204.07661	100.0
205.07899	1.4
211.15288	0.6
215.05779	0.5
218.23676	0.3
229.11853	0.4
229.16185	1.0
230.05553	2.2
247.08253	10.6
247.10896	0.7
247.17426	1.3
248.07782	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.7
55.05501	4.3
55.79871	1.1
56.05022	4.8
56.96564	21.9
57.03441	7.5
57.07076	6.8
59.04991	1.7
60.04523	8.5
60.05642	1.8
61.02926	2.5
67.05482	2.7
67.77272	1.1
68.05016	2.9
69.03426	6.8
69.07051	3.6
70.02931	2.3
70.06594	13.6
70.10501	5.0
71.01337	2.9
71.02474	9.9
71.04974	1.6
71.95248	1.8
72.04516	42.6
72.08155	41.7
73.02919	10.4
73.10404	1.2
74.06074	1.4
74.97594	2.7
79.05490	1.4
81.03398	1.9
82.06535	1.5
84.04043	1.9
84.04505	27.1
84.08145	19.5
85.02911	18.6
85.06528	1.5
86.06098	1.8
86.09212	2.2
86.09704	29.6
87.04475	1.9
87.05578	1.5
87.10054	1.6
88.03976	3.2
88.05100	14.6
93.07044	1.4
95.04993	1.8
96.04477	2.4
96.08120	1.4
97.02892	4.1
98.03548	15.4
98.06046	1.1
98.97578	19.8
102.05557	2.3
103.05455	1.3
105.06945	1.5
107.04939	1.7
110.02407	2.0
110.07150	4.6
113.10789	1.4
114.05534	13.8
115.03917	4.4
115.06172	29.9
116.04591	10.2
116.07079	1.9
116.98619	35.1
118.05037	1.5
118.08649	14.1
120.08086	8.7
121.10198	1.3
127.03963	1.6
127.06186	2.8
128.98645	1.2
129.10240	3.5
130.04974	5.6
130.08646	2.0
132.06563	100.0
132.10155	1.9
133.04958	8.8
134.99657	54.9
136.06160	3.3
140.00204	1.8
140.04498	1.9
144.10268	1.6
147.03317	3.2
147.11311	1.8
150.05565	1.7
150.07620	33.1
150.99155	7.7
153.00717	16.5
158.01263	3.2
165.04387	1.5
169.00140	5.9
173.12918	1.6
174.99149	3.8
183.11179	1.4
184.09613	6.3
189.04332	1.8
193.00224	17.7
205.03839	1.7
209.24854	1.5
211.01192	2.1
216.01750	2.0
229.12491	1.6
230.10089	2.2
230.13931	1.4
247.10567	3.1
247.13322	6.7
247.16582	3.8
257.46591	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80675	0.5
53.63631	0.5
54.50011	0.5
55.05500	0.8
56.05033	16.3
56.96286	0.6
56.96566	8.7
60.04515	0.6
60.05661	0.6
69.03397	0.9
70.06572	2.2
70.06994	2.2
70.98123	1.0
72.08147	1.0
73.01133	4.8
74.02426	0.5
74.06072	0.6
74.97612	0.9
80.05088	0.4
80.72137	0.5
81.03410	0.8
81.37015	0.5
82.06548	0.6
84.04497	100.0
84.08140	1.6
84.96008	0.4
85.02885	1.6
85.04833	0.9
86.06053	0.5
86.09689	3.7
87.04486	0.5
88.99139	1.1
90.03770	72.4
93.07041	0.5
94.06547	0.8
97.02888	0.5
98.06053	0.5
98.21461	0.8
98.46217	0.4
98.97576	7.5
99.04431	0.6
100.02189	1.6
101.00595	0.9
102.05537	2.6
107.04936	1.1
110.06039	4.6
110.15192	0.5
114.05558	0.6
116.98615	9.5
117.01831	0.8
118.03231	63.7
120.08073	0.6
122.05994	1.2
128.05325	0.6
128.98615	0.4
130.04994	54.0
132.10208	1.2
134.99652	12.5
135.01328	0.6
146.42152	0.4
146.99660	2.6
147.03255	1.1
150.05504	1.7
150.99124	2.1
153.00710	2.6
156.04761	18.7
163.02800	0.6
165.00717	3.6
165.04280	0.7
169.00185	1.2
174.99120	2.0
177.04222	0.8
184.04257	12.5
187.54225	0.8
189.04312	0.8
190.98552	0.5
193.00208	7.2
196.01242	0.7
196.54672	1.6
201.02582	0.6
201.12593	0.4
202.05386	2.9
204.07703	1.1
205.03903	0.9
211.01227	0.8
211.10756	0.6
212.09161	0.7
223.01248	1.8
223.04803	0.5
229.12477	0.6
230.04814	14.0
245.00313	0.5
247.07462	25.7
265.05994	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10381	1.5
55.05519	2.6
56.05026	6.1
56.73680	1.6
56.96564	99.3
57.07056	1.8
58.06593	1.8
61.01131	3.5
67.05527	2.7
69.03430	2.8
69.07057	2.6
70.00473	6.0
70.00862	3.5
70.02963	3.0
70.06583	11.5
70.98123	34.5
71.95258	1.7
72.08147	2.5
73.02892	1.5
74.02461	2.4
74.97607	11.5
81.07047	3.4
84.04495	3.5
84.08153	3.9
86.09705	21.6
88.03988	5.6
88.99157	44.0
92.98631	3.8
93.07119	1.9
93.21869	1.7
97.02935	1.9
98.97578	50.9
99.04485	2.4
104.05337	4.7
107.00195	17.6
107.04964	2.1
110.38687	1.8
115.00726	6.1
116.07074	8.9
116.98615	65.1
118.12342	1.7
120.08100	3.5
121.02842	1.8
121.10116	2.3
125.01229	4.0
128.98622	6.1
132.10208	5.3
132.95853	3.0
133.01729	25.1
134.99651	87.9
140.00235	1.7
141.10246	2.7
145.01743	1.9
146.99637	27.3
147.03271	9.0
149.01132	2.0
150.96880	4.1
151.02792	9.4
153.00708	22.7
157.14146	2.2
158.01239	3.6
163.02823	3.4
165.00717	95.3
165.04337	4.1
166.08611	3.3
175.02763	3.2
176.02379	1.7
183.01775	17.8
188.02359	3.2
189.00705	33.8
201.12425	8.8
204.07750	2.2
205.00282	2.2
205.03836	13.1
206.87488	2.5
207.01759	100.0
212.09163	3.2
223.01253	2.3
223.04921	6.8
225.02785	9.0
230.03358	5.3
247.04892	4.3
247.11005	2.9
247.13283	4.5
247.17154	3.2
265.05820	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	247.0489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.5
54.98636	0.5
55.01856	0.5
55.05503	1.4
56.05020	0.9
56.96560	31.8
57.07055	1.7
60.04505	0.5
67.05494	1.7
69.03423	2.5
69.07060	1.0
70.06579	1.2
70.07909	2.3
70.95839	0.4
71.04977	0.5
71.95244	1.3
72.04516	2.4
72.08147	10.3
72.46532	0.4
72.93784	0.7
73.02912	1.2
74.97591	4.2
77.00892	1.8
84.04498	7.9
84.08127	1.9
84.95992	0.8
85.02886	1.9
85.06516	0.7
86.09690	1.3
86.97593	1.0
88.03996	0.7
89.20650	0.6
90.94794	0.6
91.05470	0.8
92.98616	1.0
95.01954	1.3
95.04977	1.1
97.02926	0.7
98.03517	0.9
98.97575	38.8
99.04412	0.9
107.04933	1.2
107.08608	0.7
113.05988	1.0
114.05544	1.3
115.03910	0.5
115.06195	1.4
116.98606	62.5
118.08650	4.8
119.01862	0.5
120.08069	0.8
121.02829	0.6
121.10213	0.5
127.03904	0.5
129.02248	1.2
130.05016	1.3
132.06573	6.0
132.95821	1.0
132.98080	2.0
134.05978	0.5
134.99646	100.0
135.01343	3.3
140.00174	1.1
141.06505	0.6
146.99648	0.5
147.01155	0.5
147.03290	6.8
149.01147	0.5
149.75203	0.5
150.07655	2.8
150.39531	0.5
150.96931	1.4
150.99123	14.1
151.07985	0.6
153.00694	25.4
153.02454	3.6
156.10168	0.7
156.81886	0.5
158.01241	4.0
161.04863	1.4
163.02779	0.8
165.04362	2.5
169.00183	9.9
170.21353	0.5
174.99132	9.2
176.02376	1.0
177.04341	1.5
179.05864	0.6
184.09660	2.0
187.05025	0.6
189.04337	6.0
193.00192	31.6
193.01596	1.3
201.12364	0.6
203.05887	1.4
204.07648	2.2
205.03831	3.7
207.05415	1.6
211.01215	3.7
216.01799	2.7
217.01585	2.2
221.07085	0.7
222.34479	0.4
223.04883	2.1
229.03723	1.3
230.10321	1.4
247.04726	1.4
247.10748	0.6
247.12917	1.2
247.14626	0.6
247.16791	0.9
253.92609	0.6
265.06021	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.9
56.96568	1.8
59.54889	1.7
60.05631	2.2
60.45490	1.4
69.07043	2.8
70.06583	5.0
70.30058	6.3
72.08154	36.2
75.97144	1.7
84.04483	4.2
84.08134	10.1
85.08477	3.4
86.09706	16.5
88.03993	5.8
101.00885	10.5
103.00639	2.8
103.02418	6.3
104.07236	1.8
115.02411	2.3
117.10255	2.3
119.01927	47.3
120.01911	2.2
121.01640	8.2
121.03499	3.0
122.06554	1.6
127.02377	2.9
128.07054	1.9
130.05037	3.0
131.01891	6.4
132.10216	3.8
133.01703	2.2
133.03412	3.3
137.02917	10.9
139.02628	2.2
141.10257	1.9
142.03526	1.7
142.08626	3.7
145.01595	1.8
145.03458	26.8
147.03207	3.9
148.06047	6.7
149.02917	3.2
155.01884	5.3
157.01605	2.2
161.02914	6.5
163.02692	4.1
163.04526	5.2
167.03363	1.7
171.01372	2.5
173.02962	14.3
174.09312	1.6
175.02710	4.5
177.02412	4.5
187.02600	4.8
189.02454	6.3
201.12367	3.6
203.03799	1.8
205.03827	2.3
215.00403	3.1
217.01942	8.7
229.03230	38.2
235.02992	4.2
247.04272	100.0
247.13226	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	247.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20355	1.1
51.40258	0.9
56.96559	3.8
58.99868	1.2
69.35886	11.2
70.73490	1.2
77.00914	1.5
77.28981	1.0
84.08150	1.4
86.09681	2.1
98.97583	6.5
101.00876	4.0
116.98629	7.4
119.01924	20.1
121.01696	2.6
133.03458	1.3
134.99629	4.4
135.01297	1.2
135.05101	1.1
137.02945	4.5
143.01973	2.0
144.06483	1.2
147.03241	1.9
149.04713	1.0
153.02461	1.4
161.02957	2.2
173.02942	1.6
174.99231	1.2
175.02754	1.3
177.02448	2.4
181.35451	1.2
187.00841	2.8
187.02301	1.9
193.00151	1.7
205.02011	1.4
205.03772	1.5
215.00404	2.9
221.23558	1.2
229.03206	30.9
247.04257	100.0
247.13760	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	247.0124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.5
56.05032	2.0
56.96562	47.4
61.01136	1.2
61.38814	0.9
63.02252	0.9
67.05510	1.6
68.94267	0.8
69.03425	1.0
69.07049	2.2
69.22936	0.8
69.95849	4.3
70.02956	1.5
70.06594	5.6
70.98110	18.3
72.08158	1.4
74.97195	1.2
74.97592	9.1
75.82114	0.8
81.07059	1.1
81.33535	0.9
84.04490	3.1
84.08131	2.8
85.02882	1.3
86.09696	12.8
88.03974	4.0
88.99149	26.8
91.05498	0.9
92.98634	3.6
93.07017	1.3
95.04930	1.1
97.02881	1.0
98.97578	5.6
102.73154	0.9
104.05323	1.4
107.00190	17.6
107.04942	1.2
107.08578	1.3
110.02419	1.2
116.07074	2.9
116.98598	6.1
119.01840	1.5
119.04929	0.8
120.08105	2.3
125.01220	2.8
128.98607	4.9
132.10199	3.5
134.99640	6.3
141.10178	1.3
145.10094	1.1
146.99640	30.0
149.02962	0.9
165.00708	100.0
166.08614	1.3
183.01768	18.2
186.99117	1.4
188.02299	2.3
188.07089	1.4
189.06114	1.3
201.12387	3.9
202.08652	1.3
203.11111	1.2
205.00183	25.2
206.03392	1.0
207.01726	2.1
207.03572	1.1
223.01234	36.6
228.01846	1.3
230.08127	3.0
241.02269	1.5
246.02806	1.2
247.14561	1.5
247.16696	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1814
Annotation	Valyllysine
Peak:m/z	Relative Intensity
54.27645	0.5
56.05037	1.1
57.03786	0.5
58.02987	0.5
58.06602	31.5
59.07391	3.9
60.08164	8.3
65.43640	0.5
69.72614	3.1
70.06596	1.5
72.04525	0.6
82.06579	5.0
84.08148	12.1
85.05280	3.2
98.09733	2.7
100.07621	100.0
101.07960	0.7
106.62371	0.5
110.06075	0.7
117.10258	59.0
118.08658	9.6
124.07565	0.9
127.08669	1.9
128.07088	2.4
132.23694	0.6
152.07033	1.2
169.09727	2.1
170.08127	1.5
187.10799	1.9
201.15984	1.3
209.38953	0.5
228.17096	2.5
246.18138	84.6
247.18492	1.5
265.36502	0.6
265.42236	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.6
56.96563	3.3
57.07073	3.2
58.00876	0.3
58.06601	0.4
67.05513	0.8
69.03411	0.4
69.07094	0.5
69.64825	2.5
70.06588	2.7
71.08618	1.2
71.40484	0.3
79.05480	0.9
81.07048	0.9
84.04514	0.5
84.08128	0.4
88.07622	3.8
91.05486	2.4
93.07019	0.7
95.08604	0.3
97.02885	0.5
98.21409	0.7
98.88985	0.3
102.09176	1.0
102.51832	0.3
105.07013	0.6
106.06611	0.3
106.08648	1.8
107.04945	0.7
107.08567	0.5
118.06534	9.0
119.07357	0.4
119.08585	0.4
120.08164	0.4
121.06505	0.5
127.65683	0.4
129.01038	0.6
132.08069	2.7
133.08873	1.2
134.09671	0.7
135.09167	0.5
139.00528	0.4
141.00238	0.5
146.09602	2.6
146.10429	0.3
147.10464	0.3
148.97287	1.9
159.62836	0.4
160.11227	0.6
160.67581	0.3
174.13646	0.3
174.96388	0.6
176.14342	47.9
176.96817	7.1
177.14743	0.8
184.20631	1.1
188.14351	0.9
197.01172	0.3
202.15883	0.9
203.16696	0.3
216.17490	0.8
219.05620	0.4
228.23235	1.1
235.98242	0.3
241.00182	1.0
246.00212	1.9
246.22133	100.0
246.24338	17.4
247.16974	0.5
247.22496	2.1
255.38705	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.17
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	8.0
56.96562	20.1
57.03423	4.4
57.07088	5.1
58.98041	4.9
67.05500	13.1
69.07053	10.3
69.86717	4.8
70.04085	27.6
70.06599	12.9
71.04998	4.9
71.59735	6.2
72.08146	5.1
79.05477	8.8
81.07068	10.6
82.48061	4.1
84.04499	5.0
84.08131	8.7
85.02919	5.5
87.00021	5.2
88.07644	6.5
91.05485	13.6
93.07037	13.4
94.83989	3.8
95.04948	11.2
95.08602	8.1
98.97581	6.3
105.07038	14.6
107.04961	28.3
109.06503	6.2
109.10142	70.8
114.84484	5.4
116.98610	6.2
117.07001	5.3
119.08608	10.8
121.06519	9.7
123.11726	17.0
126.05517	8.3
127.11191	24.6
129.01102	7.5
131.00731	5.7
133.06409	5.4
133.10114	6.5
134.99684	5.2
135.08061	4.9
145.10112	7.0
148.97333	22.5
161.09579	7.9
173.11763	11.9
174.33452	4.3
174.75681	4.1
174.96373	8.7
176.96820	100.0
179.10732	14.8
197.11736	31.4
211.13280	9.9
222.48651	4.7
223.11856	11.9
241.12825	19.4
246.00081	8.4
246.13205	9.3
246.15509	7.9
246.18753	18.6
246.24278	21.9
247.13300	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	245.1899
Annotation	(3S,9Z)-1,9-Heptadecadiene-4,6-diyn-3-ol
Peak:m/z	Relative Intensity
53.03933	5.0
55.05511	37.1
56.96550	6.8
57.03438	18.2
63.55119	4.1
65.03919	4.4
67.05507	31.1
69.07053	15.3
71.17087	4.8
71.17393	5.4
74.82448	3.3
79.05500	36.2
81.07052	31.7
83.04967	5.0
83.08600	18.2
84.08118	6.0
91.05477	76.3
93.07043	30.1
95.08613	31.1
97.10152	27.9
105.07027	77.8
107.08575	21.5
109.10127	4.0
113.50378	3.6
117.06989	34.9
119.08574	45.1
121.10131	8.8
125.09667	26.5
129.07034	18.6
129.56462	3.5
131.08559	52.7
133.10141	50.5
135.08150	3.6
135.11638	5.7
142.03236	4.0
143.08578	21.9
145.10139	64.7
147.11670	28.3
147.39075	3.6
149.09636	4.5
157.10091	15.3
159.11684	20.1
163.11165	5.9
171.10426	4.2
171.11647	22.7
173.13266	65.5
175.11232	3.8
185.13239	17.0
189.11217	21.2
199.14880	8.5
227.17944	27.0
245.13795	12.4
245.19006	100.0
246.13434	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	246.1125
Annotation	Pyrrolezanthine
Peak:m/z	Relative Intensity
55.01852	0.7
55.05492	0.8
56.05019	2.0
56.82128	0.5
56.96549	1.9
67.05492	0.8
68.05042	2.8
68.05338	0.5
69.03400	0.6
69.61363	2.9
69.61789	1.0
70.06590	14.3
71.04994	1.1
72.08137	2.5
73.25247	0.5
79.05478	1.5
80.05019	1.1
82.06577	0.6
83.44950	0.5
84.04488	1.5
84.08144	11.7
85.04004	0.6
86.09686	3.2
87.05591	0.6
91.05476	1.1
94.06543	1.9
94.26568	0.6
95.04977	0.5
96.08065	0.7
98.02417	0.7
98.06039	0.9
100.07584	0.6
101.65650	0.5
103.05463	1.7
105.07028	5.7
106.06554	1.7
107.04958	14.6
107.07307	0.7
108.08119	1.2
110.07178	1.0
114.05545	4.7
116.07079	1.5
117.07016	1.8
119.04987	0.7
120.08105	1.3
121.06498	1.1
122.06095	0.6
123.04410	1.2
129.10258	2.9
130.04990	0.8
130.08627	1.0
131.04927	6.7
132.05688	1.3
132.08095	0.7
133.06491	15.3
140.07057	3.2
144.05539	0.6
145.06487	8.1
147.07945	1.0
147.11313	1.0
149.05971	3.6
156.10176	0.8
157.06480	0.8
159.06784	1.6
160.07626	1.4
162.09100	1.1
172.07562	10.9
173.06004	1.7
173.08383	2.7
173.09683	0.7
175.03802	0.6
182.06143	0.5
191.07021	1.8
200.10698	9.4
201.11490	6.8
228.10254	1.1
228.12321	1.7
246.11253	100.0
246.13312	5.4
247.11555	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	246.1446
Annotation	H-Ile-Asn-OH
Peak:m/z	Relative Intensity
55.01880	2.5
55.05504	5.7
55.14827	1.7
56.05033	4.0
56.96563	8.3
57.07071	4.8
58.06602	2.4
60.04522	3.5
60.05672	2.1
60.08154	5.7
67.04256	2.2
67.05498	2.0
69.03425	3.6
69.07069	58.1
70.02949	14.6
70.06593	19.3
70.32233	7.3
71.04995	1.9
72.04514	2.5
72.08154	25.5
72.93807	1.7
73.02919	3.1
73.06558	3.8
74.02440	11.1
75.05572	2.5
79.05479	2.6
80.05010	4.3
81.03426	2.7
81.04552	3.3
82.02949	3.4
82.06573	2.7
83.05022	1.9
84.04498	11.4
84.08140	41.3
85.02881	2.2
85.04021	16.0
86.06030	2.9
86.09705	100.0
87.05591	68.6
88.03988	6.2
91.05471	4.5
94.06544	2.6
96.04503	3.6
96.08147	5.1
97.02924	1.8
98.02414	18.9
98.06068	4.3
98.09692	2.2
98.97571	5.8
99.05618	2.2
100.07619	6.1
103.05457	2.5
104.05301	2.1
105.07038	2.5
107.04953	3.9
110.02404	62.6
113.10773	45.8
114.05562	2.4
114.09130	3.4
115.05036	2.0
116.98629	11.3
117.05760	2.3
118.06576	5.4
120.08109	5.9
123.04348	1.6
124.03989	8.9
124.07609	2.2
126.09184	3.0
129.07001	3.1
129.10194	3.9
130.05009	4.4
130.06529	4.3
130.08665	4.7
131.04897	3.7
131.07297	1.9
132.08112	6.3
132.10210	19.1
133.06058	3.1
134.05995	2.7
134.99652	12.9
136.07616	2.7
137.05975	2.4
138.05505	3.7
138.09129	5.3
141.10222	81.6
142.06387	1.9
143.11810	18.0
144.08145	3.8
146.05989	2.7
146.09566	2.3
147.11220	2.4
150.05432	2.0
150.99118	3.5
152.07016	2.4
153.00748	2.9
155.11815	8.4
156.08078	5.1
156.10228	6.5
157.07628	2.4
159.09206	7.0
162.96906	2.3
164.07010	2.7
166.08649	69.9
169.00369	2.1
169.09737	7.3
171.11369	3.3
172.10002	4.3
173.10709	5.5
175.11977	2.1
183.09224	7.3
183.11250	12.2
184.07603	2.7
185.10667	2.1
187.10785	52.9
193.00226	3.3
200.11871	20.6
200.13950	20.1
201.10277	4.8
211.10760	6.9
212.09177	74.4
223.04660	2.6
228.12164	10.1
229.09654	2.4
229.11765	24.8
231.00650	1.7
246.05223	2.9
246.09357	4.9
246.13361	33.6
246.15666	3.2
246.18271	5.2
247.10878	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	245.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.0
55.05510	21.5
56.05036	1.5
56.96560	1.8
57.03434	3.6
57.05816	0.9
67.05517	3.3
68.99816	0.5
69.03430	1.5
69.07066	3.8
70.06576	5.8
71.58208	0.5
72.08154	100.0
73.08494	0.7
79.05505	4.5
80.05023	1.3
81.07057	2.8
83.04993	1.1
83.08617	5.8
84.04517	1.5
84.08132	4.1
85.02915	0.6
85.06590	0.5
86.06084	0.6
86.09705	61.8
87.04473	0.6
87.10055	0.6
91.05503	1.6
93.07040	1.6
95.04980	0.5
95.08610	1.5
97.06567	0.6
97.10172	11.6
98.97595	0.8
103.05490	3.7
105.07015	1.1
107.04961	1.3
107.08586	3.9
114.03767	0.8
115.05465	2.0
116.98594	0.8
117.05801	1.1
117.06990	0.9
118.06556	1.5
119.08581	0.6
125.09628	9.9
128.06241	1.0
129.07025	1.3
129.10217	0.9
130.06512	4.1
131.04929	9.5
131.08612	0.9
132.08092	17.5
132.10182	4.1
134.99585	0.7
135.08061	1.2
142.03232	5.3
142.06532	2.1
143.08455	0.6
145.10098	0.7
146.11757	37.0
151.30217	0.5
153.09123	0.7
156.08098	1.1
157.07666	2.2
158.06001	0.7
158.08411	2.4
159.09175	33.9
160.07602	3.6
160.09589	0.9
167.06119	1.5
170.02710	1.3
170.06035	1.0
181.07686	0.8
182.06114	0.6
183.09227	0.8
184.07516	5.3
184.08755	0.5
185.07103	14.9
185.08612	0.9
185.16537	2.3
186.07465	0.9
189.11227	7.4
200.07021	2.9
201.10229	3.5
202.07774	0.7
217.10115	1.0
217.12215	0.6
227.08192	10.3
228.12625	0.9
243.08662	0.6
244.08917	0.5
245.09468	9.0
245.11649	0.9
245.13614	4.7
245.18747	3.1
246.13461	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.186
Annotation	NH-DVal(NMe)-Val-OMe
Peak:m/z	Relative Intensity
52.15392	0.3
55.93523	0.6
56.05027	0.7
57.03418	0.3
57.05805	0.3
58.06577	0.4
58.99571	0.3
67.05495	0.3
68.05025	0.3
69.07070	12.2
70.06587	2.7
70.77535	0.7
77.34129	0.3
79.05449	0.4
80.05015	0.3
84.04527	0.3
84.08150	2.0
86.09707	100.0
87.10043	0.8
96.86864	0.3
98.06049	0.3
107.04966	0.8
115.05508	0.5
115.68223	0.3
125.09697	0.3
129.10268	1.0
130.06535	0.9
131.02582	0.3
131.04916	0.6
132.05695	0.4
132.08119	0.4
132.10210	2.3
133.06593	0.4
140.49086	0.4
142.03246	1.8
157.07727	0.6
158.06017	0.8
170.02742	0.4
195.45573	0.3
199.18071	0.5
206.00212	0.4
221.73842	0.3
227.08522	1.1
245.09535	0.4
245.18626	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1862
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
55.05500	0.9
56.05022	0.7
56.96559	0.8
58.99572	0.3
65.54840	0.3
67.05495	0.8
68.05029	0.3
69.03439	0.4
69.07069	1.2
69.51469	0.6
69.51890	1.6
70.02936	0.4
70.06593	3.6
70.29397	0.3
72.08159	1.1
73.63205	0.3
79.05499	0.4
80.05019	1.3
81.03462	0.3
81.07049	0.4
84.04504	1.0
84.08148	3.0
86.09705	100.0
87.10031	1.0
91.05480	1.3
93.07062	0.4
95.04932	0.4
95.08627	0.6
97.06541	0.3
97.10153	0.4
98.20703	0.3
98.97610	0.4
104.10724	0.4
104.24136	0.3
107.04946	0.6
107.08566	0.4
110.07150	0.4
114.03747	0.9
116.77431	0.3
116.98620	0.4
120.08099	0.5
125.09653	0.4
126.45927	0.3
129.10249	0.6
130.06509	0.3
132.08072	0.4
132.10202	2.9
140.10719	1.1
142.03218	4.5
159.09192	0.8
161.02943	0.4
170.02724	0.9
177.00740	0.4
182.11725	0.4
184.07521	0.5
186.11269	1.0
189.11261	0.4
199.11124	0.4
199.14648	0.3
199.17972	1.3
202.07654	0.3
227.08498	2.0
228.12384	0.3
245.05159	0.5
245.09583	1.6
245.11700	0.7
245.14998	0.4
245.18622	3.2
261.97894	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64385	1.1
55.01878	1.1
55.05514	1.7
55.77744	1.2
56.96568	2.7
57.03437	1.8
58.78832	1.0
58.99858	3.1
60.04544	1.1
60.05645	3.4
61.02945	0.9
67.05491	1.1
68.05035	1.0
68.98273	1.1
69.03428	3.6
70.02959	2.2
70.06593	91.5
71.05000	5.0
71.06949	1.1
71.57067	2.0
72.08155	4.8
73.02931	1.7
74.02435	1.8
77.00910	7.2
81.03403	1.4
82.99883	2.0
84.04510	9.0
84.08143	8.4
85.02898	3.2
85.04839	2.2
86.06084	3.8
86.09711	1.6
86.99339	2.2
87.05582	5.7
87.86475	1.3
91.05483	1.5
95.01936	3.1
97.02904	6.5
98.06017	1.1
98.09714	1.9
99.71637	1.1
100.07591	1.5
101.00875	18.8
101.42493	1.2
102.00934	1.0
103.02438	1.3
105.00382	2.9
107.04970	3.0
109.02852	1.1
112.05088	2.8
112.08763	1.4
113.00888	3.0
113.03500	6.8
113.05425	1.0
114.03773	1.2
114.10254	2.7
115.02449	3.6
116.07080	2.0
118.03548	4.3
119.01920	100.0
120.02020	5.2
121.03476	1.5
123.01408	1.9
127.02419	2.9
127.03939	1.5
129.04024	1.6
129.05069	1.9
129.10255	1.2
130.05013	3.1
130.09799	4.2
130.64998	1.2
131.01910	29.7
132.01961	2.0
132.06546	1.6
132.89755	1.1
133.03468	10.0
133.06134	1.5
136.04562	4.6
137.02962	29.5
139.02454	1.3
140.10684	5.6
142.03389	4.7
142.12299	2.3
143.01900	16.4
144.02654	1.2
145.03484	28.2
145.04607	2.8
146.03665	1.7
147.01402	6.2
147.05043	3.3
147.06076	2.3
148.04503	1.3
149.02940	6.1
151.04492	1.6
154.03506	2.2
155.01892	23.9
155.03128	1.9
156.02515	1.4
157.03481	21.2
158.05646	1.4
160.04631	1.2
161.02966	47.6
161.04346	2.3
163.04503	8.3
163.55417	1.8
167.01926	5.5
167.11330	1.0
168.05051	1.5
169.03490	3.0
171.05031	4.0
172.04575	4.0
173.02945	48.1
173.06589	1.3
174.03023	7.3
175.02908	1.9
175.04488	13.7
177.02525	1.6
179.01961	2.8
179.04015	3.1
184.04565	2.8
185.02957	56.9
186.03203	1.4
187.03125	1.0
187.04520	6.3
189.06084	1.7
190.05666	1.7
191.03792	1.9
191.05202	3.8
196.04581	3.1
197.02951	19.1
197.04529	1.1
199.04474	1.4
201.12393	1.5
203.02361	1.0
203.04016	27.5
208.04576	3.0
209.02983	1.4
214.26881	1.2
215.03769	3.4
215.05199	6.5
216.03546	1.5
221.05067	24.6
222.05377	3.2
223.04823	1.1
226.05592	2.1
227.03963	2.6
227.11496	1.9
240.06270	3.4
244.06728	1.4
245.05017	26.7
245.11726	4.1
245.16083	4.5
260.62650	1.3
263.06107	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	245.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.3
53.97112	0.7
55.01870	8.0
55.05510	86.4
56.96546	2.3
57.03437	33.2
59.04982	2.9
67.05499	23.8
69.03149	0.9
69.03426	9.6
69.07069	13.6
70.06593	5.0
71.58286	1.3
72.08137	2.0
79.05492	24.8
81.03400	0.9
81.06584	1.2
81.07053	18.9
83.04975	6.7
83.08617	49.5
84.08142	2.1
85.06535	1.9
86.09692	8.9
87.17612	0.9
91.05464	6.6
93.07050	7.7
95.08600	1.1
97.10168	100.0
98.09715	1.0
98.10451	1.8
98.97600	1.1
101.09643	2.7
105.06999	3.6
107.04955	1.9
107.08595	27.9
109.06471	1.7
109.10134	3.6
110.13400	0.9
110.42226	0.8
110.88416	0.8
111.08077	4.0
115.05432	1.1
117.07040	4.3
125.09627	100.0
126.09961	1.3
128.06181	1.0
131.08578	0.9
133.10101	0.8
135.08051	8.7
142.03232	4.5
143.08540	1.4
143.10713	4.8
143.11658	1.1
145.10146	1.1
153.09091	6.1
157.10118	1.5
171.10196	6.3
185.13246	2.0
189.11217	75.4
190.05817	0.8
190.11484	1.8
199.14874	1.1
234.14931	1.2
245.04837	1.2
245.13799	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.5
53.52749	1.6
55.01868	7.5
55.05515	91.6
56.96569	4.0
57.03439	32.7
59.04985	1.9
67.05511	31.1
68.33070	1.7
69.03435	10.9
69.07079	20.1
70.06596	6.5
71.58883	3.1
72.08152	2.7
73.39730	1.7
79.05497	23.1
80.04998	3.8
81.07066	20.4
83.04980	10.7
83.08626	50.9
84.08148	6.3
86.09718	21.4
87.04464	2.4
91.05482	8.0
93.07050	9.2
95.08638	3.0
97.06525	2.3
97.10178	100.0
98.97603	2.9
101.09663	2.8
104.10751	1.7
104.70934	1.7
105.07050	5.0
107.04956	6.1
107.08605	27.8
109.06510	2.3
109.10201	2.7
111.08106	2.9
114.03806	2.5
116.57465	1.9
117.07008	5.3
119.08578	3.3
121.06503	2.0
125.09634	97.9
133.10112	3.4
135.08083	7.5
142.03221	11.4
143.10722	5.4
145.10071	2.2
153.09117	7.1
157.06465	2.4
171.10205	6.8
189.11235	74.4
202.07825	4.7
202.09619	2.3
227.08485	2.2
227.12750	2.7
244.08791	2.8
245.04608	2.8
245.09767	25.2
245.13788	48.3
245.18918	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	244.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.3
56.96550	0.4
57.07066	0.6
63.02366	0.1
65.03933	1.3
67.05502	0.4
69.07070	1.3
70.03047	0.8
71.26985	0.1
77.23719	0.2
79.05492	0.2
81.07059	0.3
86.03609	0.2
86.45425	0.1
91.01276	0.8
91.05474	100.0
92.05796	0.9
93.07012	0.2
98.03524	0.6
98.21292	0.2
105.07005	0.2
114.32207	0.1
114.90499	0.2
117.06960	0.2
129.66280	0.1
132.08035	0.2
136.37804	0.1
153.99342	0.2
172.00435	0.2
176.03976	0.4
176.08180	17.8
177.08549	0.2
186.96733	0.3
188.08162	1.2
215.18410	0.1
244.14461	8.2
244.21251	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	2.1
55.05503	1.6
56.96556	16.9
57.03401	3.3
58.99850	2.6
61.02900	4.0
68.04993	1.9
69.03423	7.5
70.02903	1.1
70.06242	1.4
70.06582	19.6
70.39615	1.9
70.40027	3.0
71.04946	1.1
72.08127	5.0
73.02915	6.5
73.60078	1.2
77.00870	3.8
81.03378	4.2
82.99835	2.6
84.04498	9.0
84.08120	9.3
85.02476	1.1
85.02892	11.3
85.08430	1.2
86.06037	3.4
86.09682	3.8
86.99342	1.0
87.04438	1.2
88.07607	1.1
89.74080	1.1
91.03899	1.4
93.02044	1.3
94.92986	1.9
95.01906	3.7
95.04919	1.3
97.02873	12.8
98.03197	1.2
98.97570	6.8
99.04417	1.5
100.11249	2.3
101.00864	17.6
102.00908	0.9
103.02404	1.5
104.10736	33.6
105.00368	2.9
105.11037	2.1
107.04946	31.7
109.02849	2.1
112.05042	3.2
112.07580	2.4
113.00832	2.9
113.03461	7.7
113.05390	2.4
114.05518	1.3
115.02399	4.5
116.07038	3.5
116.98617	8.0
118.01088	1.5
118.03506	2.1
119.01908	100.0
120.01981	4.3
121.01605	1.8
121.03458	1.7
126.95436	1.7
127.02386	1.9
127.03866	3.8
128.98508	1.6
129.03961	1.7
129.05028	1.1
129.10220	1.8
130.04984	6.6
131.00237	1.3
131.01891	35.0
133.03442	8.4
134.99644	10.1
137.02939	26.9
139.02518	1.6
141.05009	1.2
142.01706	5.0
142.03468	2.6
143.01883	20.8
145.03450	27.2
146.03450	2.4
146.52092	1.2
146.99580	3.2
147.01363	3.0
147.05013	2.6
147.53215	1.4
149.01169	2.8
149.02927	7.7
149.04616	2.0
151.04488	2.6
152.02309	1.2
153.00635	1.8
153.03957	1.4
154.04706	1.2
154.54738	2.2
155.00604	1.9
155.01868	36.1
155.04565	1.7
155.11760	1.4
156.03574	3.8
156.53728	3.3
157.03455	22.7
158.03485	1.9
158.04887	1.1
158.99532	1.4
159.04967	2.1
160.02840	9.7
160.97543	3.2
161.02943	53.5
161.04283	1.7
162.03020	1.5
163.04431	8.0
163.55383	2.2
164.03358	1.3
164.04918	1.7
165.00548	1.2
165.06174	1.2
167.01826	8.0
169.03391	2.4
170.99551	1.5
171.04980	4.2
172.04536	1.4
173.02934	69.6
174.03090	3.3
175.04524	13.5
176.04620	1.8
177.00630	1.8
177.02328	1.5
179.01871	3.7
179.03989	1.2
181.05614	1.1
184.04478	2.9
184.09590	3.3
185.02930	58.8
187.04462	7.7
188.97063	5.5
189.00652	1.1
190.26292	1.3
191.03914	5.5
193.00066	3.1
196.04521	3.3
197.02931	22.3
197.04616	0.7
198.06104	1.3
200.04440	3.3
201.12288	5.3
202.98634	2.3
203.02252	1.5
203.04012	25.5
205.05453	3.3
206.05801	1.8
206.98041	5.0
207.05168	3.3
208.04514	2.4
215.03734	6.9
217.05583	2.4
219.01759	1.3
220.04601	1.1
221.04982	19.0
222.05179	2.2
227.03946	4.8
230.99794	1.6
233.05023	1.5
236.05356	1.8
239.06061	1.7
240.06226	5.6
245.04997	48.7
245.07489	2.4
245.11407	2.2
245.14934	4.1
245.18697	2.4
246.05017	1.4
263.06042	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	244.1332
Annotation	Oligophyline
Peak:m/z	Relative Intensity
55.05485	0.5
56.05029	0.6
56.96555	0.5
57.07071	0.4
67.05500	1.8
71.59856	0.7
74.92380	0.4
77.19823	0.4
79.05485	1.2
80.04989	0.5
80.24197	0.4
81.07052	0.8
91.05474	1.5
93.05779	0.4
93.07020	0.8
94.06550	2.6
94.42962	0.5
95.04967	1.3
95.08551	0.5
105.06998	0.5
107.04949	74.7
107.07336	1.8
108.05299	1.1
108.08107	1.1
110.09682	3.5
121.06515	1.3
122.09664	10.4
138.09123	9.1
139.00566	0.4
146.97507	0.5
150.09143	3.1
169.99057	0.5
170.06007	2.6
171.06863	0.5
172.07530	0.5
184.07541	2.5
185.08331	7.8
186.09096	0.7
198.09116	2.0
199.10051	2.4
200.10704	7.0
211.09964	0.7
212.10645	2.6
214.08673	0.9
226.12308	1.3
243.99236	3.5
244.13319	100.0
245.13638	1.8
260.29791	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.3
51.90834	0.3
53.03935	0.7
55.01891	0.2
56.84056	0.2
56.96555	1.2
67.05492	0.3
68.10076	0.2
69.34727	2.5
70.06575	0.3
79.05479	1.2
79.05911	0.2
81.07045	0.3
84.08112	0.3
86.09702	0.6
91.05437	1.2
93.07041	2.6
95.04956	1.3
103.05451	1.2
105.04501	0.5
107.04942	100.0
108.05277	0.6
121.06489	57.9
122.06828	0.6
123.04377	0.3
128.07025	0.3
138.09123	16.5
162.59344	0.2
162.66057	0.2
184.13185	0.3
189.54018	0.2
204.03189	0.3
213.04308	0.2
223.72437	0.2
239.02229	0.5
244.13464	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56537	0.2
53.71627	0.2
55.05499	0.5
56.96558	0.2
57.07071	0.9
69.07063	2.9
70.08549	1.0
77.74272	0.2
79.05504	1.0
79.18246	0.2
80.14156	0.2
81.07050	0.4
86.48933	0.2
89.12157	0.2
93.67012	0.2
96.08117	0.7
103.74938	0.2
105.04529	0.2
107.04943	0.3
133.06383	0.2
134.04593	0.3
138.07861	0.4
148.08757	0.5
150.07727	0.2
153.10204	1.1
160.07465	0.4
161.05731	0.5
162.10249	0.4
164.90443	0.2
174.07736	0.8
175.08514	1.8
187.07347	0.4
190.10855	7.2
201.08829	1.5
202.09605	6.8
214.08398	0.9
217.11958	40.8
218.12158	0.7
228.09904	1.2
229.08434	0.4
229.10678	5.2
244.13042	100.0
245.13310	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16622	0.7
56.05650	0.7
56.96572	1.0
64.29428	0.7
68.05027	0.9
70.06584	2.0
70.84549	3.0
72.08139	1.4
73.80968	0.9
74.02434	7.0
75.15011	0.8
80.59760	0.8
82.73423	0.8
84.08144	4.6
85.08475	1.7
86.09715	0.8
86.41635	0.8
95.04967	0.8
107.04980	1.1
117.05756	18.5
129.06992	7.3
130.06516	41.8
131.07333	7.9
138.34428	0.8
141.05730	1.1
142.06525	1.1
143.07304	13.6
144.08075	17.0
154.06499	19.4
155.06007	6.8
155.07178	1.2
156.06807	1.8
156.08063	23.7
157.07605	21.0
158.06009	10.2
158.08401	8.8
166.06516	1.1
167.07341	2.0
169.05280	7.9
169.07593	4.1
171.09161	25.5
181.07582	23.0
182.06058	4.6
182.08340	4.2
183.09183	10.7
185.07089	61.9
186.07489	1.3
187.06229	1.9
198.10254	24.1
199.08664	2.4
200.07060	2.2
202.06813	0.9
208.16762	0.8
209.07085	12.7
227.08133	100.0
228.08501	1.9
244.10814	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	243.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19064	0.7
53.03939	1.5
55.05514	7.1
57.07056	2.2
60.06947	0.7
65.03900	0.9
67.05506	27.0
69.07065	7.7
69.51943	1.7
69.52351	4.2
79.05064	1.2
79.05496	17.7
81.06585	1.5
81.07058	26.0
83.08615	4.0
91.05481	29.2
93.07047	15.8
95.04940	0.9
95.08605	18.2
97.10167	1.3
98.20796	1.6
105.07034	26.0
107.08594	10.4
109.10157	11.5
115.05486	0.7
116.06182	0.9
117.07021	15.8
118.58898	0.8
119.08581	25.6
121.09315	1.2
121.10148	16.3
123.11732	4.3
129.07001	2.3
130.07799	0.8
131.08571	37.0
132.08836	0.7
133.10133	20.1
135.11705	10.0
143.08543	1.5
145.10130	29.4
147.11691	20.8
149.13269	6.4
151.11174	0.8
157.10089	1.3
159.11691	21.3
161.13255	29.8
163.14763	1.8
171.11662	2.3
172.12468	1.1
173.13266	26.4
175.14836	6.5
177.16447	0.9
185.13214	1.9
187.14827	17.4
189.16486	0.7
200.15544	0.9
201.16373	6.8
215.17958	2.7
243.21089	100.0
244.21411	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	243.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
55.05509	5.1
57.07078	4.2
67.05502	20.4
69.07069	5.6
70.77242	2.3
71.08624	1.9
79.05489	15.4
81.07057	20.4
83.08597	3.2
91.05479	26.0
93.07047	14.5
95.04948	1.4
95.08011	0.6
95.08598	14.8
96.38327	0.8
97.10143	0.9
100.07117	0.9
103.41602	0.8
105.07028	22.5
107.08595	7.5
109.10143	7.8
115.05444	1.6
116.06232	1.3
117.07028	17.2
119.07799	1.3
119.08576	16.5
121.10143	11.5
123.11716	2.7
129.06979	3.1
131.08563	44.2
133.10138	14.3
135.11699	6.3
142.15923	0.8
143.08548	2.7
144.09332	1.4
145.10123	30.8
147.11690	11.7
149.13255	5.0
157.10052	2.2
159.10455	1.6
159.11688	24.7
161.13257	17.1
163.14790	1.9
167.30434	0.9
171.11723	2.8
173.11761	1.5
173.13261	31.1
175.14836	5.6
187.14819	16.9
199.14935	1.0
201.16412	4.7
211.12067	1.0
215.17958	3.6
243.21082	100.0
244.21513	2.7
250.89397	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90039	0.8
55.05499	1.2
55.69756	0.9
56.96551	2.0
57.03436	1.1
65.03917	1.0
65.06969	0.8
67.05495	3.0
69.07049	1.9
70.06577	2.0
70.13123	1.9
70.13519	2.3
72.88232	0.8
72.93775	1.5
79.05502	2.1
81.07044	8.9
84.04489	1.0
84.08116	2.0
86.09695	1.1
91.05499	0.9
92.04974	3.2
93.07025	1.1
93.33575	0.8
95.04971	2.7
95.08591	2.5
98.97558	3.1
107.04943	100.0
107.08541	0.9
108.05282	1.7
114.07706	1.0
116.98592	2.5
117.06949	1.0
119.01810	1.2
120.04450	37.4
123.11690	0.8
128.98616	1.1
134.99660	1.2
138.05486	11.9
139.04094	0.9
146.97470	1.0
168.60965	0.9
169.99062	1.1
174.97127	3.5
177.00743	1.0
187.10867	0.8
191.02397	3.4
191.10342	0.8
199.15327	0.9
226.14386	1.9
232.09541	2.0
243.60382	1.3
244.00339	3.3
244.09827	1.8
244.13158	1.1
244.15598	1.1
244.22749	4.8
249.02814	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.1
57.07055	2.3
67.05163	1.3
67.05502	20.2
69.07063	5.5
70.30239	1.9
70.30621	3.0
79.05489	14.6
81.07052	16.8
83.08607	1.9
86.01324	0.7
91.05468	24.0
93.07030	16.8
93.07608	1.2
95.08599	18.7
97.10137	1.2
98.21463	1.2
102.13829	0.8
105.07014	23.9
105.07674	1.9
107.08591	9.5
109.10143	10.7
115.05424	1.1
117.07012	15.0
117.40338	0.8
119.08572	19.5
121.10129	12.3
121.10934	1.6
123.11691	3.3
129.06979	1.8
129.31642	0.9
130.07759	1.1
131.07564	2.1
131.08557	40.2
133.10123	14.2
133.15479	0.8
135.11711	8.8
143.08568	1.5
144.09305	1.1
145.10115	33.2
145.11285	1.8
147.11676	13.2
149.13290	4.8
157.10117	1.5
159.11679	21.9
161.13260	17.2
163.14856	1.9
171.11632	1.6
173.13260	23.0
175.14804	3.8
185.13177	1.4
187.14815	17.2
201.16417	8.5
215.17921	4.4
243.21068	100.0
243.28825	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	243.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
55.05503	1.0
56.05028	3.6
56.96562	1.2
57.03441	1.1
67.05507	1.6
69.03428	0.7
69.07070	1.3
70.06596	4.0
70.54580	0.7
70.54971	0.8
72.08150	1.7
79.05495	0.8
81.03426	0.9
81.07059	1.5
83.04961	0.4
84.04504	81.4
84.08145	3.8
85.02894	0.5
85.06567	0.4
86.09705	100.0
87.10040	1.2
91.05457	0.9
95.04980	0.7
95.08614	1.2
96.04533	0.5
98.09728	0.5
98.97592	0.8
105.06992	0.9
107.04945	1.8
107.26939	0.5
110.06050	0.5
110.07170	1.1
112.11244	0.5
113.07128	1.4
115.62748	0.4
116.98640	1.0
123.08073	1.6
129.06583	3.8
129.10236	1.0
130.05028	0.7
132.10202	40.4
133.06509	0.5
134.99672	1.1
137.61293	0.4
141.06569	3.6
144.79071	0.4
145.07600	0.8
151.07561	0.7
152.10713	0.8
172.08749	1.8
183.08072	0.5
192.92482	0.5
197.12849	32.9
211.36093	0.4
215.85329	0.4
216.07655	0.8
225.12415	0.9
243.08603	2.9
243.11171	0.7
243.13420	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	243.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
55.05497	3.4
56.05024	1.0
56.96565	5.1
57.03433	2.1
59.04986	2.8
61.02916	5.9
65.03952	1.0
67.05498	2.1
68.05024	6.2
69.03413	1.7
69.07054	1.7
70.06597	5.4
70.89822	2.6
71.04993	7.5
71.05335	1.6
72.08141	2.9
72.93772	2.3
73.06564	0.8
77.89117	1.0
79.05489	3.7
81.03396	1.0
81.07055	16.5
84.08125	4.2
86.06032	1.2
86.09708	5.3
87.04480	1.3
87.08083	2.4
87.73868	1.0
90.94828	1.5
91.05449	2.3
93.07035	1.9
94.74261	1.0
95.06087	99.3
98.97585	6.3
99.05556	1.1
104.03046	1.0
105.07008	1.9
107.04969	4.4
113.07124	98.5
116.98602	4.6
121.10032	0.9
131.08531	0.9
134.99713	4.6
137.05862	1.0
145.06508	0.9
158.99608	1.5
163.12256	1.5
177.00693	2.9
189.05566	1.4
193.13344	4.2
197.02914	1.6
197.09641	1.3
207.06519	2.3
211.14403	38.9
215.03915	1.2
219.01747	1.7
220.04501	2.5
225.96002	0.9
243.17033	100.0
244.17366	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	243.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06583	17.1
59.96225	7.4
67.19415	7.7
69.03424	10.1
69.90233	29.6
69.90638	17.5
70.06586	12.5
72.08157	20.3
84.04504	13.5
84.08141	42.6
98.20837	12.3
104.10748	100.0
110.07200	18.9
111.06718	11.0
112.05090	9.1
112.11213	9.1
121.07663	7.7
123.05605	12.0
166.06168	10.6
181.66768	7.9
184.07248	11.2
199.39926	9.1
243.07480	23.4
243.11075	17.7
243.16132	34.8
243.21843	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	243.0877
Annotation	Lumichrome
Peak:m/z	Relative Intensity
50.75249	0.3
51.42281	0.4
55.05502	1.1
56.96553	1.7
57.03426	0.7
65.03928	0.4
67.05492	2.1
69.07069	0.5
70.06607	2.4
70.15066	1.9
71.04998	0.5
72.08146	0.8
75.49417	0.4
79.05470	0.6
79.24886	0.3
81.07055	3.3
83.08605	0.8
84.04504	0.9
84.08124	1.3
85.02893	0.6
85.06532	1.0
86.09673	1.4
91.05468	1.5
93.07060	0.6
95.04964	0.7
95.08630	1.0
98.97588	1.2
100.11242	2.7
103.05466	2.6
105.07008	1.0
107.04951	1.2
110.07155	0.5
116.98637	1.1
118.06537	1.4
119.08580	0.8
121.02895	0.4
123.11707	0.5
124.33578	0.4
130.06520	2.8
134.99612	1.3
142.12250	0.6
145.07610	7.2
148.00366	0.4
153.06953	0.4
155.08640	0.4
157.06346	1.8
157.07547	0.6
159.14922	1.8
165.07002	1.0
170.07150	9.1
172.08704	47.1
173.09050	0.6
174.10287	1.0
182.07263	0.5
183.08171	0.5
189.00586	0.8
190.09763	2.0
198.06633	14.7
200.08189	4.2
211.07585	0.5
215.10780	0.5
216.07690	39.2
217.07919	0.9
218.09258	2.2
219.01456	0.4
222.31305	0.4
225.07741	0.5
243.08772	100.0
244.07106	1.5
244.09262	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63811	0.2
56.96544	0.9
69.82430	1.4
80.41605	0.2
98.21420	0.3
98.97578	2.8
101.00871	2.7
107.50616	0.2
116.98608	2.1
119.01911	14.3
122.97890	0.3
134.99702	2.2
137.02945	4.5
140.98798	0.5
142.03526	0.4
153.00871	0.9
158.99887	1.0
175.03023	0.3
177.00934	28.7
178.01044	1.0
182.99866	0.6
193.04082	0.6
195.01971	0.9
201.00903	1.5
214.95540	2.3
217.04050	4.1
218.03728	0.3
219.01981	31.6
220.02113	2.4
225.00822	1.8
228.98788	0.3
232.96608	2.5
237.97084	1.2
242.03723	0.3
243.01953	6.8
243.04237	0.4
255.98335	0.7
256.96600	0.5
261.03036	100.0
262.03165	3.9
263.03424	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06583	17.1
59.96225	7.4
67.19415	7.7
69.03424	10.1
69.90233	29.6
69.90638	17.5
70.06586	12.5
72.08157	20.3
84.04504	13.5
84.08141	42.6
98.20837	12.3
104.10748	100.0
110.07200	18.9
111.06718	11.0
112.05090	9.1
112.11213	9.1
121.07663	7.7
123.05605	12.0
166.06168	10.6
181.66768	7.9
184.07248	11.2
199.39926	9.1
243.07480	23.4
243.11075	17.7
243.16132	34.8
243.21843	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	242.0483
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05020	0.8
56.96553	2.6
57.07064	1.0
58.99589	31.1
65.03948	6.2
67.05493	1.6
69.03409	0.9
69.07072	1.2
69.07481	0.8
70.02953	1.0
70.06591	6.5
70.86874	1.4
70.87258	1.5
72.08145	2.9
73.62402	0.9
74.92793	1.0
76.02221	4.3
80.05035	0.8
80.73574	0.7
81.03399	1.2
82.06552	0.8
83.06110	4.2
84.04501	4.9
84.08150	6.5
85.02894	1.0
86.00652	12.9
86.09711	6.0
86.99058	15.7
88.03996	12.6
91.05482	2.2
93.03381	5.5
95.04991	1.2
95.08589	0.8
96.04497	0.9
97.01116	1.2
98.97589	0.9
105.00098	5.7
107.04938	2.3
110.06027	2.3
110.07160	3.0
110.48035	0.9
111.04445	45.2
112.03778	1.3
116.98608	1.7
120.01180	2.2
121.02877	5.9
122.06030	1.8
123.04435	11.2
124.04803	0.8
129.10257	3.5
132.01141	7.6
132.04475	1.7
134.05949	0.9
134.99625	0.8
138.05505	100.0
139.03928	1.1
139.05795	1.0
146.06003	1.4
146.99710	1.5
149.04723	23.3
150.05499	9.4
151.02092	1.2
152.98923	1.2
153.00060	12.8
153.05296	1.3
155.01628	7.6
162.05516	12.3
163.06238	2.7
179.01598	6.0
196.04288	26.4
242.04832	77.2
242.10043	11.3
242.15021	1.8
243.05119	2.9
243.97751	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	0.5
58.07684	0.2
70.80513	0.2
71.05002	0.3
71.05365	0.5
73.66641	0.2
79.05467	0.6
83.06090	0.4
86.09632	0.3
94.04086	0.2
95.04933	0.3
98.97591	0.3
107.04942	28.9
111.04403	0.3
116.98585	0.4
119.03538	0.7
120.66576	0.2
136.06169	100.0
137.04552	0.8
137.06508	0.4
138.05472	0.4
146.97371	0.3
150.05511	0.3
160.07498	0.2
164.07115	0.3
169.99048	0.2
224.09096	0.2
242.04758	0.2
242.10126	1.1
242.14952	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1751
Annotation	Valeroidine
Peak:m/z	Relative Intensity
55.01873	8.5
55.05491	3.0
56.96552	3.9
57.07053	0.8
67.05485	3.3
68.05011	3.0
69.03415	1.9
69.07048	1.3
69.65944	0.7
70.02930	2.2
70.06590	7.8
71.04991	31.1
71.08278	1.0
71.08624	12.7
71.59867	1.5
72.04520	0.9
78.77125	0.7
79.05477	2.6
80.04993	2.1
81.03408	1.5
81.07037	4.6
83.04946	1.0
83.08623	1.2
84.08106	0.9
86.06063	6.3
91.05469	4.9
91.82469	0.8
93.07027	1.5
94.06575	2.7
95.08595	2.2
96.08127	26.1
97.06488	0.9
98.06077	1.8
98.09686	20.0
98.97556	2.1
99.08082	9.7
99.31262	0.8
105.07011	4.0
106.06561	0.9
107.04951	1.9
107.08591	1.0
108.08109	6.2
109.10139	1.0
112.07621	1.7
114.51858	0.8
116.98581	3.0
120.08078	0.8
122.06031	13.7
124.07619	0.9
125.08353	2.4
126.12751	3.2
128.85252	0.9
129.07033	0.8
131.13039	0.8
134.99605	1.6
136.07562	2.7
139.11185	2.0
140.07065	13.1
146.97421	1.2
148.07516	0.7
150.96896	1.0
151.11201	1.7
154.12210	3.4
157.99417	1.4
158.99692	1.2
170.09586	1.8
172.09932	0.9
177.00728	1.5
178.15921	7.9
179.14236	1.5
187.12358	1.1
196.16972	15.5
198.09131	3.0
206.15390	15.6
215.11826	1.8
224.16443	100.0
225.16818	2.1
237.02797	0.8
242.07967	0.9
242.11847	2.4
242.17506	3.1
243.11288	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	241.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30675	0.7
54.66883	0.7
55.05511	5.5
57.07076	7.3
67.05510	5.4
69.07064	8.5
69.87466	1.7
69.87870	3.9
79.05488	5.2
81.07056	5.8
81.81767	0.8
83.08603	3.3
84.43805	0.7
87.54228	0.7
91.05477	9.1
93.03696	2.8
93.07050	3.8
95.04927	1.0
95.08584	5.6
105.07021	9.3
107.08579	3.3
109.10148	1.7
115.05445	2.6
116.06214	1.0
116.76266	0.8
117.07011	33.6
119.08577	5.8
121.10141	3.7
123.11668	1.0
128.06216	5.0
129.06992	23.0
129.07904	1.6
130.07819	1.2
131.08557	34.3
133.10098	7.5
134.27757	0.7
135.11685	0.9
139.11400	1.0
141.06961	1.4
142.07747	4.2
143.08549	26.9
144.09192	1.1
145.10120	16.4
147.11674	9.0
155.08527	1.7
156.09329	1.9
157.08922	1.5
157.10129	19.3
159.11684	32.4
160.12012	0.8
161.13258	3.2
163.07442	0.9
169.10127	3.6
170.10909	1.4
171.11673	22.7
173.13254	38.1
183.11691	2.9
184.12547	1.2
185.13243	33.6
187.14792	2.4
197.13271	1.5
198.13846	0.8
199.14812	36.0
200.15433	0.9
213.16371	5.5
241.19501	100.0
242.19838	3.0
264.28320	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79704	4.7
53.03958	5.6
55.05495	9.7
56.05032	9.6
57.07078	5.5
58.06609	9.7
69.03420	15.2
70.06591	8.5
70.59785	16.9
72.08155	18.8
73.02901	8.5
80.06786	5.0
81.03424	15.9
83.06100	85.6
84.04490	26.2
84.08150	12.1
85.02911	15.7
86.09718	39.5
95.06090	6.1
97.02905	14.4
104.10744	8.5
110.07173	15.1
118.03539	15.0
119.01936	20.3
129.10208	6.3
132.10182	7.7
133.03459	10.3
136.04538	8.1
137.02977	5.8
143.01904	13.8
147.05067	7.8
149.06487	4.7
152.13268	6.1
153.05196	7.0
161.02985	20.3
161.05576	10.5
173.02908	8.1
176.58292	5.4
185.02991	5.0
196.14511	7.8
197.12877	8.4
211.68100	5.0
218.08731	5.8
220.10294	7.7
242.10085	100.0
242.12387	9.7
242.15648	79.0
242.24802	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	241.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.7
57.07074	5.6
66.77283	0.7
67.05498	5.9
69.07062	7.9
79.05489	4.8
81.07043	6.9
83.08612	4.1
91.05473	8.6
93.03708	3.7
93.07028	4.3
95.08607	6.7
97.10144	1.4
105.07011	8.2
107.08562	3.6
109.10133	1.8
115.05450	3.0
117.07006	32.0
119.08578	7.0
121.10165	4.1
128.06204	4.1
129.06995	24.1
131.08554	33.4
133.10115	7.6
135.11668	1.1
136.98515	0.9
139.42336	0.8
141.06975	1.4
142.07761	3.3
143.08539	23.1
145.10106	18.8
147.11700	8.9
155.08559	1.8
156.09335	2.7
157.10118	22.8
158.10590	1.3
159.11681	39.7
161.13223	2.1
169.10124	2.4
170.10872	1.4
171.11671	25.7
173.13243	38.1
179.08647	1.1
183.11670	2.0
184.12473	1.3
185.13254	30.3
187.14822	2.8
197.13292	1.2
198.13979	1.3
199.14807	32.0
212.15500	0.9
213.16335	7.9
241.19485	100.0
242.07896	1.0
242.19894	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1798
Annotation	Chokol F
Peak:m/z	Relative Intensity
52.96300	4.4
55.01857	10.5
55.05511	33.4
56.96576	7.6
57.03441	42.4
57.07080	9.2
62.06089	11.4
67.05502	79.9
69.07079	34.6
69.81665	4.7
71.04989	16.1
71.20121	11.7
72.08154	10.3
75.02661	4.8
79.05495	51.3
81.03429	5.2
81.07058	99.3
83.04977	17.2
83.08616	28.0
84.08141	13.2
85.06564	22.0
91.05486	59.6
93.03716	20.9
93.07038	59.6
95.04981	9.5
95.08610	100.0
97.06518	19.6
97.10168	10.8
98.82457	4.4
99.04454	14.4
99.08093	8.8
105.07023	28.9
106.93754	5.3
107.04986	7.3
107.08598	38.1
109.06540	6.1
109.10175	27.8
111.08057	11.3
111.55705	4.8
116.98640	4.4
117.07024	15.6
117.21940	4.5
119.04948	16.2
119.08580	18.7
121.10144	44.5
122.10518	4.5
123.08073	7.2
123.11692	9.0
125.09594	12.6
129.07004	10.5
131.08578	23.9
133.10138	32.3
134.99655	6.7
135.08070	7.1
135.11688	15.7
142.15886	4.9
143.08473	10.6
145.10118	22.4
147.04398	9.2
147.11687	31.1
149.09653	7.9
149.13284	11.6
152.06223	6.7
157.10143	10.5
159.11693	15.4
159.69415	4.7
163.14848	6.7
165.12717	6.8
171.11667	9.2
173.13286	17.1
177.16472	9.4
181.15839	5.2
185.09605	4.9
185.13271	10.7
187.14879	30.2
195.08022	4.8
195.17474	16.7
199.14854	11.3
205.15916	18.5
223.07535	11.4
223.16928	50.0
224.16539	5.7
241.08585	16.7
241.19702	47.5
242.28307	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	241.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62377	0.2
53.07463	0.2
57.25034	0.2
58.06588	0.6
59.07375	0.2
60.08153	3.7
62.45359	0.2
68.98875	0.2
69.46009	0.2
69.47537	1.5
80.30457	0.2
86.49950	0.2
92.28621	0.2
94.06550	0.8
98.21461	0.4
104.10731	100.0
105.11053	0.6
126.56149	0.2
127.17472	0.2
138.05495	1.4
139.91483	0.3
152.06999	0.2
241.15546	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1547
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
53.03952	0.3
56.05022	0.4
58.06598	23.4
65.08015	0.2
68.71410	0.2
70.06591	4.0
70.81467	0.2
71.04968	0.3
71.12167	0.3
71.12502	0.3
72.08143	0.7
79.05486	0.3
79.20928	0.2
81.03410	1.0
82.06601	0.2
84.04483	0.5
84.08141	12.7
90.17853	0.2
98.06035	0.4
98.09688	1.8
99.04449	0.4
100.11230	0.4
101.70602	0.3
107.04993	0.3
110.07153	0.7
114.05502	0.6
115.01369	0.2
116.07071	0.4
116.10725	0.4
126.05497	0.4
126.09100	0.3
126.47303	0.2
128.10712	4.2
144.10184	1.5
152.10672	0.2
168.10240	1.6
169.70848	0.2
196.09680	5.8
208.16205	0.2
213.16026	0.4
241.15459	100.0
242.15796	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1434
Annotation	(+)-7alpha,8alpha-Epoxyblumenol B
Peak:m/z	Relative Intensity
53.03943	4.0
55.01872	6.0
55.05508	22.7
55.72045	1.1
56.96546	2.1
57.03421	3.6
57.07065	8.6
58.89964	1.2
59.04996	7.3
65.03930	2.7
67.05165	1.6
67.05502	21.3
69.03423	82.0
69.07063	49.3
69.74239	8.3
71.04961	3.6
73.06541	1.6
79.05492	14.4
81.03410	1.9
81.07053	39.7
83.04468	2.6
83.04975	49.4
83.08613	23.1
85.02884	2.1
85.06538	26.8
87.04465	26.0
91.05475	34.1
93.03697	3.5
93.07038	67.0
95.04980	10.2
95.08599	34.3
97.06529	21.3
98.20766	2.3
99.08081	14.2
101.06016	22.9
105.07024	9.4
107.04942	6.8
107.08591	23.0
109.06499	10.3
109.10146	10.0
111.04427	2.9
111.08068	71.1
113.06016	1.3
115.03920	15.6
115.07548	9.2
117.07016	4.8
118.56187	1.1
118.86168	1.4
119.08586	6.9
121.06494	13.1
121.10130	16.9
123.08075	2.3
123.11686	2.8
125.05973	3.0
129.05469	37.2
129.06958	2.1
129.09111	39.7
131.08572	4.3
133.10126	15.3
135.08057	5.6
135.11681	19.0
137.09586	2.4
139.07542	19.4
139.17537	1.2
143.07014	22.3
144.09338	3.1
149.05962	3.5
149.07094	1.2
149.09583	2.8
149.13246	9.2
151.11154	11.1
153.09113	2.3
153.12767	1.5
157.08589	43.8
159.11670	14.8
163.11130	1.7
167.07057	2.9
171.06580	1.3
177.12749	23.5
183.10159	2.7
185.08070	6.4
187.11073	1.6
195.08116	1.6
195.13795	42.3
205.12224	5.0
211.09515	1.4
213.09161	1.6
223.13275	12.9
241.08820	7.4
241.14336	100.0
242.15282	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	241.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.0
55.01876	3.3
55.02383	2.5
55.05503	9.4
55.93530	2.4
56.05024	4.2
56.96554	8.5
57.03415	3.2
57.07060	6.6
59.04988	3.5
65.03945	2.8
67.05491	13.1
69.03423	23.5
69.07053	10.9
70.06583	6.2
71.04974	3.8
71.59230	5.0
75.02679	3.3
79.05494	11.0
81.03405	3.9
81.07056	13.1
83.04967	15.0
83.08656	3.5
84.08140	4.5
87.04434	4.6
91.05473	31.0
93.03722	17.1
93.07040	72.2
95.04939	21.5
95.08598	7.6
97.02887	6.2
97.06513	9.3
98.97573	9.1
100.39016	2.5
103.05470	3.8
105.07011	12.1
107.04939	37.1
107.08593	14.6
109.06542	7.6
109.10134	9.0
111.08064	7.8
116.98597	9.1
117.07034	5.1
119.08569	5.7
121.06496	100.0
121.10141	9.4
123.04351	3.7
123.08036	5.7
125.05945	2.7
127.07548	10.3
131.08549	4.2
133.10114	4.1
134.99628	6.3
135.04422	2.6
135.08049	4.5
135.11734	4.6
137.09613	8.3
139.07539	16.8
145.10100	3.9
146.97447	2.7
146.99655	3.9
149.09641	15.0
152.06216	3.4
153.09099	3.9
157.08655	4.1
159.11713	11.3
163.11209	6.3
165.07062	3.0
167.07016	5.6
167.08444	6.5
170.99638	3.8
175.11171	4.3
177.12798	3.3
187.11171	7.6
193.12172	4.2
195.08046	9.7
205.12291	15.1
213.09033	5.5
219.01726	5.3
221.07597	8.4
223.13084	4.5
226.06340	8.0
230.08104	6.8
237.02737	10.0
241.08685	19.9
241.12109	3.1
241.19699	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	241.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.1
55.01862	4.3
55.05508	15.5
56.96561	4.2
57.03419	4.3
57.07077	2.0
58.03489	1.6
59.07426	1.8
67.05501	17.3
69.03420	2.0
69.07058	10.9
70.07004	7.1
71.04982	3.9
79.05488	25.8
81.03422	2.8
81.07054	22.1
83.01320	1.9
83.04974	2.7
83.08628	9.6
91.05470	12.3
91.97506	1.8
93.03705	5.3
93.07040	33.4
95.04973	8.3
95.08601	44.2
97.02874	4.1
97.06525	6.6
98.97613	2.0
99.04465	4.3
99.08070	2.0
105.07041	5.4
107.04930	9.7
107.08589	23.0
108.73000	1.4
109.06477	2.0
109.10132	4.2
111.04470	2.1
117.07018	11.8
119.08586	10.6
121.06485	6.8
121.10133	11.9
125.05984	2.7
129.58205	1.8
133.10141	5.4
135.11684	49.8
139.07460	2.5
142.07838	1.7
143.84843	1.9
145.10124	25.0
161.60512	1.6
163.11174	64.1
173.09682	1.8
181.08679	1.8
181.12212	14.8
221.07881	2.9
227.12769	100.0
241.19574	4.0
242.11581	1.9
257.89001	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	52.4
56.96547	30.2
57.03415	11.2
62.40386	11.9
63.37119	9.5
67.05486	24.9
69.03417	24.7
69.07068	55.8
70.06576	23.5
71.04993	55.9
71.07192	10.9
71.50983	21.6
72.08144	18.3
75.02663	20.8
79.05495	20.8
81.04517	13.9
81.07054	62.4
83.04957	12.3
83.06123	12.4
83.08621	18.1
84.08150	27.2
85.06539	13.0
91.05476	28.7
93.03738	100.0
93.07043	62.0
95.04970	23.5
95.06091	23.3
95.08610	61.1
97.06528	92.5
98.97581	21.3
99.04446	46.2
99.32825	11.5
103.95630	11.7
105.07002	25.1
107.04938	78.7
107.08572	69.1
108.05274	14.5
109.06510	16.3
109.10148	19.2
111.05552	25.8
111.08109	15.4
114.31425	11.3
116.98612	22.1
119.08566	36.2
121.02868	11.1
121.06527	15.3
121.10148	39.6
123.08036	49.3
124.03943	47.2
125.04298	49.9
125.07111	33.0
125.09633	23.5
131.08578	13.1
133.10114	42.4
134.99712	14.8
135.08028	43.6
135.11705	61.1
136.06180	89.0
142.28888	10.6
145.10117	19.7
146.97414	24.4
147.08020	16.5
147.11676	26.8
149.13271	13.8
153.09048	22.3
159.11684	29.2
163.03923	20.1
163.11206	21.8
167.06985	25.1
169.99010	14.9
171.10086	16.5
175.11159	58.2
177.12753	46.7
181.12256	40.7
193.12225	37.3
205.12231	24.4
211.13144	12.7
223.06029	18.5
223.13271	93.2
228.17552	11.3
241.04488	10.9
241.08679	37.4
241.12125	15.5
241.15648	70.7
241.19579	15.1
241.21741	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	241.1182
Annotation	epsilon-L-norlysyl pyrraline
Peak:m/z	Relative Intensity
53.03938	5.7
53.78808	4.3
55.01858	8.9
55.05501	15.0
56.05029	8.8
56.96569	21.9
57.03429	8.4
57.07068	9.7
58.06580	7.7
59.06121	16.3
60.04521	8.4
65.03955	5.0
65.17155	4.2
67.05496	18.5
68.05051	8.7
69.03422	10.7
69.07092	10.8
70.06590	29.2
71.51357	5.5
72.08153	13.1
75.02661	6.9
75.05633	5.2
79.05484	24.5
80.05012	9.0
81.03419	9.7
81.07063	15.2
82.06588	10.8
83.04986	6.5
83.06119	27.8
83.08640	11.4
84.04505	15.1
84.08141	17.6
85.02924	5.8
85.06567	6.1
85.07668	10.9
86.06072	11.5
86.09707	14.6
91.05447	23.2
93.03738	29.5
93.07040	13.0
94.06568	12.6
95.04959	23.7
95.06085	6.7
95.08632	8.6
96.04494	4.8
96.08131	6.7
97.02876	7.9
98.97520	5.8
102.05536	6.5
105.07053	15.4
106.06561	19.0
107.04967	67.0
107.08557	6.8
108.08154	15.1
109.02886	5.9
109.06512	7.3
109.07668	5.2
109.10163	6.2
110.06040	11.7
110.07173	12.3
111.04421	22.3
118.06573	8.6
119.01862	4.7
119.04966	12.6
119.07384	7.7
120.04494	15.1
120.08122	13.2
121.02914	6.1
122.06062	23.0
122.06815	4.3
123.04424	17.7
124.07621	19.5
124.15703	4.8
125.06087	5.7
125.07065	5.1
126.05507	5.3
129.10196	7.1
132.08133	13.7
133.06485	6.1
133.07579	6.3
134.06030	18.5
134.99637	6.0
135.04405	10.0
136.06171	18.5
136.07582	24.8
137.06003	12.8
138.05495	16.4
140.07079	9.3
146.06024	18.3
146.99648	4.6
148.07568	13.2
150.05519	11.4
150.09119	6.4
151.08664	6.6
152.07133	9.8
154.04839	5.6
159.09224	10.4
160.07574	15.0
163.08723	7.1
164.07051	14.6
165.05530	4.5
165.07796	5.5
175.08687	14.1
176.07201	4.4
177.10277	15.0
178.08655	11.5
187.08621	8.5
188.07101	6.3
190.98715	5.3
205.09747	22.7
206.08145	10.8
213.09262	5.0
219.30202	4.7
223.10794	59.6
224.09180	9.1
241.11929	100.0
241.15697	12.1
241.19942	13.8
242.10248	10.3
244.16745	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	241.1181
Annotation	epsilon-L-norlysyl pyrraline
Peak:m/z	Relative Intensity
55.01852	3.5
55.05499	10.7
56.05019	3.7
56.96561	13.8
57.03438	6.0
57.07070	7.0
58.06601	8.1
60.04525	8.4
64.06167	3.3
64.48141	3.3
67.05495	12.4
68.05013	3.4
69.03418	7.9
69.07059	19.5
69.76567	8.3
69.76984	14.3
70.06592	22.4
71.04988	6.5
72.08147	3.8
72.93785	4.1
74.02440	47.9
75.02685	9.3
79.05492	15.1
80.05023	6.6
81.07076	16.3
83.06085	4.7
83.08619	8.6
84.04490	6.0
84.08141	12.4
86.06070	3.6
87.04447	8.2
91.05491	28.2
91.27475	3.1
93.03717	41.0
93.07039	8.5
94.06548	12.5
95.04983	10.1
95.06118	3.6
95.08617	11.0
96.08113	5.8
97.02879	4.1
97.06507	5.6
98.06063	3.8
98.97594	6.7
99.04440	4.1
101.54361	3.1
103.05443	5.3
105.07038	14.8
106.06587	12.7
107.04940	40.2
107.08578	7.5
108.05286	8.7
108.08109	9.7
109.06526	8.3
110.06055	6.4
111.04465	4.2
112.07616	6.8
112.08717	5.3
114.05522	6.6
115.05452	4.9
116.98634	7.5
118.06541	100.0
119.04952	13.2
119.07329	8.4
120.08110	15.9
121.06435	4.7
121.10130	3.6
122.06039	6.5
122.09694	4.6
123.04446	3.4
124.07594	5.4
125.05973	3.6
125.07181	4.0
126.05515	6.2
132.08075	41.9
132.95868	4.3
133.06557	4.8
134.06012	25.2
134.08209	6.0
134.99660	8.1
135.04468	5.9
135.11734	4.1
136.06229	8.9
136.07574	25.7
138.05463	4.8
140.06985	3.5
146.05914	7.1
146.97435	9.1
146.99632	3.8
150.05498	12.7
150.09177	19.3
152.07054	9.8
155.01610	7.2
159.09181	44.8
160.07573	26.5
162.05373	4.0
162.09109	3.9
163.02194	4.0
163.03903	4.7
163.08623	4.9
164.07076	14.5
167.07021	5.2
169.99028	6.3
177.00694	3.9
177.10240	69.1
178.08606	15.3
179.11586	4.0
180.06583	8.4
181.04892	3.8
182.08179	4.6
195.08174	5.5
195.11319	13.1
196.09711	3.6
198.07692	5.5
205.09714	17.8
206.08171	13.8
223.10722	46.3
224.09137	10.3
237.02901	6.5
241.08757	7.1
241.11879	59.7
241.15500	27.4
241.19569	6.6
241.21706	4.0
242.04890	7.4
242.10001	4.9
250.18904	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	240.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
53.96980	1.4
55.01855	1.5
55.05509	12.6
56.96558	5.8
57.03417	3.4
62.06089	100.0
65.03928	1.6
67.05508	29.4
68.05819	2.1
69.07063	7.2
70.02949	3.5
70.06592	2.6
71.04988	4.9
71.58819	2.2
72.08155	5.2
73.57781	1.3
79.05494	10.2
81.03401	1.6
81.07058	29.5
82.07390	2.1
83.04968	3.0
83.08607	3.9
84.08141	5.5
85.06479	2.0
86.09693	11.1
91.05481	11.8
93.03738	1.8
93.07044	10.0
95.05013	1.7
95.08609	39.7
97.06537	4.7
97.10179	2.2
98.98476	4.6
105.07037	7.0
107.04965	2.8
107.08595	4.4
109.06487	1.8
109.10151	5.4
112.11287	1.5
119.08583	9.3
121.10157	2.1
125.00005	15.5
130.08603	1.7
133.06479	2.5
133.10124	4.5
134.99663	2.0
135.11652	2.3
137.13301	1.9
140.69823	1.4
142.07285	1.6
161.13228	8.7
179.14334	3.1
181.02594	3.1
184.07288	1.6
184.12033	1.9
222.18506	4.4
223.07530	2.1
223.16867	2.7
240.06633	2.9
240.10097	10.0
240.16171	1.6
240.19710	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0858
Annotation	3,3'-Dihydroxychalcone
Peak:m/z	Relative Intensity
53.03927	0.7
55.01863	1.6
55.05511	1.5
56.96561	2.1
57.03426	0.9
57.07077	0.9
65.03940	2.1
67.05490	1.5
69.07055	1.2
70.06589	0.8
71.58862	0.7
72.08156	2.0
75.02702	1.0
76.68173	0.5
79.05478	2.2
81.07043	1.9
83.08596	0.8
84.08131	2.3
91.05479	27.9
93.03713	2.2
93.07036	1.8
95.04952	2.6
95.08588	1.5
100.11288	1.2
105.06992	0.7
107.04953	35.5
108.08161	0.8
109.10123	0.7
111.04467	0.7
119.04939	100.0
121.02855	5.8
121.10120	0.9
123.04444	0.9
124.25787	0.7
129.06995	0.8
131.04935	1.0
133.06468	0.9
133.42938	0.6
135.04424	1.0
135.11679	0.7
141.06934	0.6
144.62506	0.7
147.04410	48.5
152.06229	6.1
153.06958	0.6
157.06508	0.8
165.06946	5.3
166.07776	2.2
167.08557	6.1
168.13841	0.6
169.06505	1.2
170.07294	0.6
176.06227	2.3
177.07007	6.4
181.06493	3.4
183.08060	0.6
185.09583	0.9
194.07269	2.1
195.08043	15.7
197.06053	1.3
198.06697	1.7
209.05968	0.8
211.07535	1.0
212.08330	0.7
213.09135	7.8
213.64850	0.6
223.07533	62.5
224.07927	1.7
226.06248	2.1
241.08600	35.8
241.19643	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.6
56.05029	0.4
56.96556	0.4
57.07067	0.5
59.05000	0.3
67.05482	0.9
69.07044	0.9
69.37013	2.5
70.06592	3.4
71.04974	0.3
72.04499	1.1
72.08137	0.6
72.93742	0.3
74.06048	0.8
79.05466	0.9
80.05013	0.3
81.07041	2.4
82.06561	0.6
83.08614	0.4
84.08102	0.5
85.66973	0.3
86.09702	0.3
90.94800	0.3
91.05484	0.6
93.07020	1.4
94.06565	0.6
95.04970	0.3
95.08620	1.6
96.08082	0.4
100.07593	0.4
105.07039	0.3
107.04951	2.6
107.08566	0.8
107.32236	0.3
108.08109	1.0
109.08925	0.3
110.02710	0.4
110.09718	0.3
111.31828	0.3
112.07592	0.4
114.09155	0.4
122.09649	1.1
123.10452	0.4
124.03913	1.2
124.07586	5.0
125.09660	0.3
126.09161	0.6
128.10683	0.6
134.08069	0.6
135.11684	0.8
136.07549	0.7
136.11180	2.1
137.13222	0.8
138.09117	1.1
139.09952	1.4
139.10947	0.3
140.10692	0.5
142.12245	1.3
150.12740	1.6
151.13545	0.6
152.10707	2.4
152.14291	0.4
153.11491	0.8
154.11200	0.4
154.12250	2.3
166.12268	4.8
167.13077	2.4
168.13832	1.1
181.06558	0.3
194.15410	2.2
196.16951	100.0
197.17319	2.0
198.18474	1.2
240.08980	0.5
240.19565	46.0
241.08572	1.0
241.19846	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2369
Annotation	Bombykol
Peak:m/z	Relative Intensity
53.00314	1.1
53.03942	1.6
55.05511	27.3
56.39392	0.7
56.96562	1.4
57.07077	100.0
65.03924	1.3
67.05505	55.6
69.07072	27.9
70.85220	0.9
70.85583	2.3
71.05001	1.6
71.08634	55.8
79.05482	8.0
81.07059	60.9
83.08623	26.6
85.06560	4.1
85.10183	27.4
85.10571	0.5
88.93671	0.7
89.06038	2.4
91.05502	1.1
93.07045	4.9
95.08610	77.0
96.08900	0.9
97.10172	11.5
98.97581	2.8
99.08091	2.5
105.07038	1.1
107.08597	1.6
109.06503	0.9
109.10159	28.9
109.52858	0.9
111.11710	2.0
116.98639	2.7
121.10110	0.9
123.11713	8.0
131.08585	1.0
134.99651	2.6
137.13239	3.9
146.99628	2.3
165.16382	0.8
189.00656	1.0
215.80215	0.8
239.08763	1.2
239.18123	2.0
239.23643	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.4
55.93495	0.3
56.05035	0.4
56.96547	0.6
57.07081	0.2
57.94589	0.2
63.37076	0.2
65.03929	0.2
67.05501	0.6
68.05007	0.4
69.03437	0.3
69.07045	0.2
70.02936	0.4
70.06570	0.8
70.28118	0.3
71.04983	0.4
71.58979	0.4
72.08141	0.3
72.93798	0.4
73.02905	0.5
79.04231	0.4
79.05471	0.3
80.05005	3.2
81.03391	0.4
81.04521	0.4
81.07056	0.3
82.06610	0.3
83.06098	0.8
84.08138	0.6
87.04459	0.4
88.03984	5.6
88.96864	0.2
91.05465	0.7
92.05806	0.5
93.07043	0.3
94.06624	0.3
95.04958	0.2
95.06091	0.5
96.04489	2.3
96.08111	0.4
98.97577	0.3
103.05383	0.3
107.04948	4.8
107.08567	0.3
108.04499	0.3
108.05218	0.5
109.03976	1.2
109.07623	0.2
111.04488	0.3
111.04739	0.3
111.05550	2.9
116.98587	0.5
120.08070	0.3
123.09167	0.7
124.03941	100.0
125.04293	0.9
134.08067	1.5
134.99654	0.7
135.09155	0.5
136.03949	0.6
137.07123	0.8
138.05461	2.2
145.06499	0.2
146.97414	0.5
146.99603	0.3
149.10725	0.6
150.96899	0.3
151.08679	0.4
152.07040	0.3
153.10214	16.6
154.04982	0.3
166.13354	0.3
177.00688	0.3
178.08650	0.9
180.05220	0.4
181.06036	3.1
182.04480	0.7
191.03790	0.3
194.12878	5.4
203.16696	0.2
216.97830	0.3
223.10748	14.3
234.99048	0.4
240.06863	0.8
240.08647	18.8
240.13354	2.6
240.15877	0.7
240.23134	0.4
241.08746	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	0.7
56.05000	1.8
56.06278	0.5
56.96529	2.3
57.07053	0.5
63.03469	0.5
67.05482	0.8
68.05001	0.8
69.03396	1.9
69.04528	1.2
69.07039	0.5
70.02956	3.1
70.06548	1.7
71.04955	0.9
71.59815	0.8
72.08111	1.2
73.02912	0.8
74.06062	0.5
75.33395	0.5
79.05460	1.5
79.99706	0.6
80.04987	1.8
81.04538	3.1
81.07030	1.1
82.06586	0.6
83.06095	2.6
84.04472	1.2
84.08109	1.7
85.02890	0.8
85.03996	0.7
86.09676	0.7
88.03985	32.9
91.05446	1.2
92.04996	0.7
92.05780	0.7
93.03727	0.6
93.07011	0.8
94.06535	0.6
95.04914	1.2
95.06107	0.7
96.04475	1.6
96.08089	1.7
97.02882	1.2
98.06011	0.9
98.09619	0.6
98.97568	1.5
107.04946	10.5
107.06068	1.9
107.08578	0.8
108.06806	0.6
108.73708	0.6
109.04005	4.4
109.07632	0.8
110.04785	0.9
110.06010	0.9
110.07127	0.9
111.04415	0.9
111.04757	0.8
111.05554	16.5
114.09171	0.5
116.98640	0.9
119.06051	0.6
120.08095	1.3
122.06075	0.8
123.09203	4.2
124.03944	57.3
124.07575	1.0
125.04282	0.8
125.07092	0.8
126.15817	0.5
128.98659	0.6
129.10193	0.9
133.07616	0.5
134.05957	0.8
134.08130	4.9
134.99681	1.2
135.05542	1.4
135.09152	3.1
136.07588	0.9
136.08629	1.1
137.06046	1.3
137.07091	5.1
137.10619	1.1
138.05455	1.0
149.10751	4.0
151.04987	0.7
151.08676	2.0
153.10219	100.0
154.09656	1.5
154.10704	1.0
156.97691	0.5
159.81837	0.5
163.04961	0.7
166.13399	1.4
170.07869	0.6
177.10231	0.9
180.05334	1.8
181.06085	16.2
194.12885	32.3
195.11285	1.0
195.13123	0.6
210.77051	0.6
222.07690	0.6
223.10759	90.4
224.11168	2.1
240.08672	13.9
240.13515	19.2
240.15994	2.6
240.23424	0.7
241.08794	1.1
241.13164	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2004
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.01860	2.4
55.05510	29.9
56.96564	8.1
57.03440	2.8
57.07073	22.5
59.04996	29.5
67.05514	19.5
69.06710	3.9
69.07066	41.9
69.89516	8.9
69.89921	4.7
71.04982	7.0
71.08620	4.8
73.06548	3.1
79.05508	11.6
81.07053	78.8
83.04951	3.5
83.08615	23.7
85.06539	11.0
86.73116	2.4
91.05482	8.3
93.07043	28.2
95.08604	100.0
96.62347	2.6
97.06519	11.4
97.10174	21.9
98.20750	4.9
99.08082	4.3
105.07023	12.4
107.08587	34.9
109.06512	4.0
109.10155	53.7
111.08069	9.3
111.11711	13.4
115.07575	5.4
119.08576	25.6
121.10136	41.0
123.08093	4.9
123.11713	39.0
125.09641	18.2
127.11192	2.5
133.10118	30.4
135.11685	29.0
137.09648	3.1
137.13249	94.6
139.11169	22.4
143.10666	8.1
147.11659	31.1
149.13242	18.5
151.11162	10.5
151.14874	3.5
153.12746	3.4
157.12254	5.5
161.13263	14.0
163.14806	29.8
165.12776	7.4
165.14148	3.1
175.14787	5.0
177.16414	10.9
186.68065	2.5
193.19548	7.7
193.57016	2.3
199.62578	2.3
203.17961	58.8
221.18993	61.4
224.60680	2.3
239.06169	3.7
239.08910	6.4
239.20038	37.3
257.06976	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	239.2003
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.01871	2.4
55.05509	7.3
55.93538	1.5
56.96552	2.3
57.03420	1.9
57.07070	6.0
59.04990	5.2
61.02913	1.3
64.84386	1.0
65.03900	1.6
66.04704	1.7
67.05495	8.1
69.03421	2.6
69.06760	1.1
69.07072	11.7
70.95864	2.2
71.04985	5.4
72.93775	3.1
73.06535	1.3
74.06076	2.0
79.04202	1.2
79.05474	6.2
79.45770	1.1
81.03405	1.8
81.07053	23.5
83.08609	4.5
85.06540	2.4
86.33324	1.1
89.06016	1.1
90.04694	1.8
90.94843	1.7
91.05476	5.4
93.07031	11.7
95.04960	2.4
95.08600	23.1
97.02885	1.4
97.06515	4.0
97.10171	4.5
98.97565	5.0
99.04450	1.7
99.08068	2.3
102.96880	3.4
105.03398	1.0
105.07033	8.6
107.04954	22.1
107.08590	14.1
109.06496	2.3
109.10142	12.5
111.08076	3.2
111.11725	7.5
116.98595	2.7
117.05764	13.0
118.04153	5.4
119.08583	11.2
121.06426	1.2
121.10136	7.5
123.08032	2.2
123.11715	8.2
125.09605	2.8
131.08522	3.5
133.04959	1.7
133.10129	8.3
134.06013	2.8
134.08118	3.4
135.11685	11.7
137.13243	11.9
138.98990	1.2
139.11160	3.4
143.08513	2.1
143.10669	1.6
145.05219	100.0
145.10121	1.3
146.05862	4.2
147.11708	8.0
149.09607	1.8
149.13216	5.1
151.11171	1.4
160.62637	1.2
161.09564	1.4
161.13217	2.4
162.05479	1.5
163.14757	5.6
165.12720	1.2
175.14864	1.7
177.00659	1.6
177.16397	2.2
180.60478	1.0
183.08128	1.3
183.11653	1.5
195.01047	1.0
195.15308	1.1
196.06610	1.7
197.09622	1.1
197.13335	1.4
203.10692	2.2
203.17914	12.0
204.57323	1.3
205.07156	3.9
221.11725	2.1
221.19020	11.4
222.09177	1.7
229.45015	1.3
238.08611	2.2
239.06926	1.8
239.09065	19.7
239.14302	2.8
239.18068	1.8
239.20111	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08847	0.5
55.05493	1.8
56.96559	1.4
57.07076	1.3
67.05505	2.8
67.60796	0.6
68.56042	0.7
69.07069	1.4
70.06589	1.2
71.04984	1.8
71.56634	0.7
71.56953	0.8
72.93783	0.8
73.06527	0.7
76.34264	0.6
81.07050	2.8
83.06193	0.6
83.08611	1.1
83.60002	0.6
87.04468	1.9
89.06030	100.0
90.05529	1.5
90.94833	1.0
91.05456	0.7
91.61744	0.7
92.71384	0.6
93.07027	1.6
95.04977	0.9
95.08595	2.1
98.97556	0.7
105.07016	1.4
107.04951	5.4
107.07063	5.7
109.06476	0.7
109.10168	1.1
115.04098	0.6
121.10139	0.6
123.02654	0.7
123.11738	1.0
130.08678	0.8
132.08092	0.9
133.08591	35.1
134.02251	0.8
135.08104	0.7
139.13794	0.7
145.06442	1.0
148.52939	0.7
149.09738	0.7
151.09666	2.7
177.11226	2.6
193.10590	3.3
195.12352	1.1
221.11876	1.2
232.86876	0.6
239.08890	5.6
239.10861	0.8
239.14877	3.9
243.00388	0.6
246.48561	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26024	0.7
51.41295	0.6
55.72458	0.6
56.96556	1.6
57.37176	0.5
62.99528	0.5
64.27191	0.7
67.05503	1.3
71.04960	0.8
81.07042	0.9
87.04472	1.3
89.06031	100.0
96.39306	0.5
105.07065	0.7
107.04958	2.1
107.07050	4.5
133.08606	29.2
136.96954	0.6
151.09654	2.2
159.06100	0.6
170.66998	0.6
177.11237	2.9
195.12305	0.9
203.96678	0.5
216.57820	0.7
222.54930	0.6
239.08896	2.6
239.14816	3.2
243.00459	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1641
Annotation	5,8-Dihydroxy-14-nor-7-marasmanone
Peak:m/z	Relative Intensity
53.03944	4.9
55.01863	4.0
55.05314	1.7
55.05505	20.3
56.96560	3.8
57.03424	3.5
57.07059	6.6
64.76335	1.8
65.03938	2.8
67.05169	3.7
67.05500	41.3
69.03392	1.9
69.06714	3.2
69.07063	31.5
70.06590	2.7
71.04991	25.2
71.08635	3.3
71.40034	3.7
79.05061	3.1
79.05492	38.6
81.07053	55.6
83.04967	12.0
83.08611	8.2
85.02908	2.8
89.06034	3.0
91.05477	33.0
93.07042	37.2
95.04366	4.3
95.04968	84.2
95.08608	41.8
96.08907	2.9
97.06525	36.9
97.10149	4.6
99.04384	1.8
105.07017	24.2
107.04940	8.6
107.08591	16.7
109.06498	13.1
109.10157	11.5
111.04427	3.7
111.08052	4.5
115.05402	2.3
117.06999	12.5
119.08604	18.6
121.06490	4.0
121.10134	8.1
123.04435	2.0
123.08036	8.9
124.52485	2.4
128.06213	9.0
129.06995	19.6
131.08580	14.2
133.06543	3.8
133.10106	11.0
135.08046	3.9
135.11687	4.2
137.09599	6.1
137.13249	2.5
141.06987	17.6
142.07765	6.6
143.08556	23.3
145.10126	20.8
147.11641	4.2
151.11195	2.4
153.07010	3.9
154.07748	6.3
155.08539	21.9
156.09419	2.9
157.10092	32.1
159.11668	16.3
161.13245	10.1
163.11127	7.6
167.08525	7.6
168.09334	6.4
169.10123	38.4
171.11671	25.6
173.13206	4.8
175.14813	4.2
179.14320	5.8
181.10078	6.9
182.10905	2.8
183.08031	2.5
183.10245	3.4
183.11703	39.9
185.13271	15.7
193.15797	2.4
195.07825	2.2
195.11710	2.6
196.12456	3.3
197.13261	39.2
203.14325	3.5
203.17920	2.2
209.13177	2.8
210.14040	7.7
211.14841	9.5
221.15350	66.1
222.15482	2.6
239.08817	8.5
239.10995	3.7
239.16069	20.1
239.18231	100.0
240.18263	2.7
255.59251	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	239.1276
Annotation	3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate
Peak:m/z	Relative Intensity
53.03936	4.8
55.01863	9.0
55.05507	25.1
56.05027	9.6
56.96561	12.2
57.01754	2.9
57.03430	7.3
57.07058	10.6
60.04512	3.4
61.02925	5.4
67.05502	23.7
69.03423	22.6
69.07065	15.0
69.88958	13.1
70.06579	6.5
71.04991	15.8
71.08631	5.3
72.08134	4.1
74.06074	31.4
79.05489	24.4
81.03411	7.2
81.07050	35.1
83.04981	18.5
83.08608	8.7
84.04514	3.5
84.08141	5.4
85.02898	5.9
85.06529	4.0
85.10194	3.0
86.03544	3.3
86.06044	2.9
87.05601	2.7
89.06023	7.8
91.05474	45.0
93.07038	42.3
93.20317	2.6
93.98398	2.4
94.17689	2.3
95.04966	31.0
95.08598	39.7
95.41795	2.4
97.02889	6.1
97.06556	16.1
97.07645	3.8
97.10195	4.3
98.97543	3.6
99.04437	7.0
103.05460	4.2
105.03371	3.1
105.07028	59.8
107.04955	100.0
107.08587	27.4
108.05270	18.2
109.06523	24.9
109.10146	16.7
110.02744	4.0
111.04420	5.1
111.08083	6.0
115.03970	2.8
115.05442	6.7
116.07073	4.3
116.98632	3.1
117.07007	8.8
118.03225	3.3
119.04933	4.0
119.08578	50.1
121.02804	3.1
121.06489	30.1
121.10111	12.2
122.07273	3.0
123.04445	4.2
123.08060	54.1
123.11704	5.5
124.03998	3.8
125.05949	3.0
125.07101	3.5
125.09621	3.0
128.06207	7.4
129.06931	3.1
131.08545	12.8
132.13855	8.3
133.06523	13.4
133.10136	39.1
133.14186	9.6
134.07179	4.7
134.08119	40.9
134.66106	2.6
134.99619	3.8
135.08054	39.6
135.11716	3.2
137.05896	3.9
137.09618	12.1
142.07750	7.7
143.08540	7.4
145.06476	10.2
145.10117	9.8
146.07314	4.1
147.08047	10.6
147.11659	8.6
149.09647	15.7
151.07550	9.8
151.11168	7.1
153.05424	3.4
153.09126	6.4
157.10147	9.4
159.08063	6.5
161.09584	31.2
163.07527	14.5
163.11220	3.9
164.47742	2.9
165.09120	22.1
169.09746	6.6
173.09651	3.2
175.11169	16.7
177.09142	6.4
179.10693	16.5
181.08577	14.5
185.09659	3.3
191.10704	6.6
193.12231	5.6
197.11852	3.4
203.10696	8.6
221.11783	16.7
239.09099	30.8
239.12885	57.7
239.18134	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	238.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.05488	0.7
56.96549	2.2
57.07048	0.4
58.06587	0.6
69.07065	4.4
70.06578	1.4
71.58869	0.6
72.08147	0.8
79.05471	1.8
81.07050	0.7
83.06091	0.5
84.08135	1.6
85.02876	0.5
87.04440	0.6
87.08097	1.0
90.94797	0.4
91.05453	0.7
95.04954	1.5
95.06072	0.8
95.08593	0.8
97.02877	0.5
98.97575	0.7
99.04513	0.5
105.07039	0.6
105.27131	0.5
106.06565	0.6
107.04946	100.0
108.05275	1.6
109.10159	0.4
110.02708	0.5
114.09154	1.1
114.12814	0.6
116.98625	0.8
120.08070	0.7
121.06508	0.6
125.07127	0.6
130.12277	1.1
132.10204	1.5
132.13831	40.3
134.99672	0.9
136.07545	0.5
137.06006	0.5
138.09087	0.8
142.03468	0.5
150.09146	0.4
174.00696	0.7
192.06517	0.8
192.10229	0.4
194.11758	2.9
214.96420	0.7
219.57259	0.4
220.13406	1.4
232.97522	1.5
238.10788	1.4
238.14401	8.0
238.17975	7.0
238.22552	0.6
239.08913	1.6
252.73431	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1276
Annotation	3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate
Peak:m/z	Relative Intensity
53.03942	13.8
55.01854	18.3
55.05507	50.6
56.02219	4.5
56.96555	8.3
57.03425	8.4
57.07074	6.8
58.47512	4.3
61.02914	11.3
64.00096	3.7
65.03933	4.9
67.05499	43.7
69.03413	48.0
69.07053	16.4
70.02961	3.7
70.06580	7.8
70.80239	8.2
71.04985	18.5
79.05492	43.3
81.03418	10.7
81.07047	49.1
83.04969	39.2
83.06094	6.1
83.08619	5.1
84.08125	6.4
85.02899	7.1
85.06554	5.7
88.03977	41.9
89.04337	9.6
89.06023	11.6
91.05470	91.2
93.07036	92.7
94.07349	6.2
95.04961	51.6
95.08594	40.1
95.63290	4.3
97.02867	6.1
97.06517	34.0
99.04444	8.4
101.16451	3.9
103.05434	8.1
105.07024	100.0
107.04947	47.2
107.08575	39.7
108.05274	4.7
109.06519	39.0
109.10114	21.3
111.04430	6.3
111.08089	5.2
115.05457	9.9
117.07018	31.6
117.99210	4.0
119.04929	8.9
119.08563	78.3
119.45959	4.2
121.06487	63.8
121.10131	18.4
122.06834	8.3
123.04376	6.4
123.08052	84.0
123.11698	9.5
125.06034	4.2
125.07104	7.1
127.07533	4.1
128.06207	11.3
129.06996	11.0
131.04893	14.3
131.08562	16.8
132.05243	33.4
133.06514	23.5
133.10112	56.5
134.06815	6.9
134.08107	9.7
135.08043	59.0
137.05971	9.1
137.09616	16.0
139.07509	7.4
142.07710	9.7
143.08546	14.6
145.06497	16.3
145.10117	18.5
146.07251	4.9
147.08069	26.8
147.11699	19.6
149.09639	20.1
151.07552	22.2
157.10117	18.8
158.06932	7.6
158.99730	4.3
159.07997	7.0
161.09605	54.3
163.07539	23.6
163.11150	6.1
165.09116	43.7
167.06868	5.2
173.09715	7.9
175.11172	21.6
176.07893	16.3
177.09090	15.6
179.10651	19.5
181.08571	27.9
185.09608	5.5
191.10689	6.6
193.10594	12.0
193.12286	5.3
203.10597	9.3
221.11629	34.8
239.08870	22.6
239.12914	97.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
56.05030	1.9
56.96560	5.4
57.03427	1.6
61.02903	1.2
70.06569	1.2
71.11037	1.4
71.11334	1.4
72.08114	1.1
73.02906	1.5
79.05484	2.2
84.04497	35.3
84.08162	1.3
85.02904	1.6
85.04247	1.5
85.04820	17.8
85.05279	1.3
86.09698	58.0
91.05471	86.6
92.05805	93.5
95.04966	1.6
95.08566	1.5
97.02851	1.4
107.04945	100.0
107.08543	1.8
108.05286	1.5
108.08105	17.0
109.07735	2.0
109.08440	22.8
116.98646	1.7
120.08018	1.4
128.98581	1.2
130.04970	3.0
131.05354	3.4
132.10194	42.7
135.04349	1.1
137.09682	1.2
152.10767	1.4
153.48715	1.0
192.12114	5.2
192.13750	1.6
221.09991	25.0
233.03340	2.2
238.08855	2.0
238.12532	6.1
238.17999	3.1
239.08803	3.2
244.42958	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
54.29345	1.6
55.01851	1.5
55.05502	3.9
56.96555	5.2
57.03428	1.6
60.04509	1.6
60.25574	1.5
61.34627	1.4
66.92765	1.6
67.05505	2.8
68.05033	2.1
69.03422	2.3
69.07060	4.7
70.06588	7.1
70.95855	1.6
71.58893	2.4
72.08161	4.7
76.67801	1.5
79.05504	3.3
81.07046	3.3
84.04464	1.8
84.08140	6.0
86.09700	51.9
87.04425	2.0
89.06017	7.8
90.94804	3.2
91.05428	1.9
93.07043	2.1
95.04949	3.0
95.06047	2.8
97.07635	2.5
98.97607	1.9
105.07032	2.8
107.04948	100.0
107.08575	1.9
108.05281	2.5
119.04904	1.9
121.06502	2.0
123.98134	1.5
132.10190	35.3
133.08641	2.3
134.99690	2.6
136.06189	3.2
136.07576	3.5
136.08549	1.6
146.06015	2.0
147.06349	1.9
149.09590	1.7
150.05449	3.7
161.09561	1.7
174.00716	2.6
178.97920	2.6
196.95587	2.7
207.14966	1.7
212.95070	1.9
214.96655	9.6
232.97510	6.0
238.12762	2.7
238.22375	2.1
239.08894	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	238.0375
Annotation	Drazoxolon
Peak:m/z	Relative Intensity
51.02367	0.5
53.03060	0.3
53.03939	0.3
55.02982	1.5
55.05494	0.5
55.84685	0.3
56.03773	0.3
56.96548	0.4
57.07066	0.3
58.73019	0.2
64.05447	0.3
67.05483	0.9
69.07049	0.5
70.04071	12.2
75.02344	0.7
79.05480	0.7
81.07030	0.9
83.04841	22.0
84.03245	0.4
84.08123	0.4
85.02753	0.4
86.99997	0.7
91.05460	0.9
93.07023	0.4
94.04054	1.3
95.04955	1.0
95.08587	0.8
96.08858	0.3
98.03527	2.4
98.97552	0.3
99.00013	1.7
100.04491	0.5
100.05088	5.5
102.04657	0.6
102.84613	0.3
105.03358	0.6
105.06992	0.3
107.04916	0.7
107.08552	0.3
109.06487	0.5
109.10127	0.3
110.03516	8.7
111.00019	0.6
111.04299	18.4
113.01525	1.2
116.98634	0.3
125.01537	1.2
126.02993	5.6
126.99446	2.5
127.03793	1.5
128.00218	2.7
129.01009	2.8
129.04395	0.4
130.05263	0.5
138.01053	2.3
139.00560	1.8
141.00996	2.1
146.07092	0.9
153.02051	0.5
156.05508	0.4
157.06349	18.1
158.04764	0.5
165.01003	0.4
165.02156	5.3
165.04617	0.4
166.00574	1.7
174.06665	1.4
178.00508	0.7
180.03239	3.0
184.04999	0.4
185.05800	5.2
191.02425	1.2
192.03217	3.9
193.01633	1.6
203.06947	0.7
209.03464	1.2
220.02715	9.2
221.01025	0.3
238.03752	100.0
238.15192	2.4
238.17986	4.4
239.04089	1.4
250.00226	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
55.01876	12.4
60.04511	0.8
65.03928	1.4
69.60942	5.8
70.02646	0.8
70.02954	10.5
72.08152	1.6
79.05498	2.6
84.08147	1.9
88.03992	100.0
91.05482	10.8
93.07043	15.6
94.04202	1.7
95.04961	4.0
97.06500	0.9
103.05458	4.5
105.07024	7.5
107.01306	1.4
107.04958	7.2
111.04410	2.3
115.05461	1.4
117.07025	4.4
119.04904	1.7
119.08476	1.1
120.08101	1.2
120.82067	0.8
121.06504	34.9
121.07378	1.8
125.47947	0.8
128.06178	1.5
129.07024	7.5
130.06451	1.0
131.04932	96.1
132.05249	2.3
133.06480	12.5
145.06488	6.4
146.06023	1.8
147.08040	0.9
149.06006	9.4
150.06738	2.0
156.08041	1.2
157.06494	12.4
159.06897	1.2
174.09152	3.7
175.07549	37.4
192.10194	37.2
198.82600	1.0
203.09943	1.0
230.21870	0.8
238.10823	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	238.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88852	1.7
55.05502	3.4
56.05040	2.0
56.96550	6.1
60.04525	2.2
69.66706	3.6
69.67117	6.6
70.06596	10.5
72.08149	9.7
76.69257	1.5
79.05486	3.5
84.04509	2.4
84.08145	11.6
86.09680	5.6
91.05463	6.4
93.78113	1.7
94.82258	1.5
103.05463	5.4
105.07033	24.2
106.64288	1.5
107.04948	6.1
110.00462	1.4
114.05495	2.1
115.05417	5.1
117.05766	8.2
118.06512	1.6
119.07313	6.5
120.04486	2.0
120.08041	2.6
125.09624	1.5
129.10239	3.4
130.06519	6.1
131.04904	2.4
132.08095	100.0
133.08423	2.2
134.99666	1.9
135.08025	6.0
136.06180	3.9
146.05994	1.4
147.06320	2.0
150.09126	1.7
178.08621	3.0
192.10204	90.4
193.06799	1.4
210.05594	4.0
214.04933	1.5
219.56406	1.4
238.05064	3.1
238.07149	3.1
238.10728	4.8
238.13022	4.6
238.18356	1.5
238.22395	1.7
239.09003	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1846
Annotation	Atlantolone
Peak:m/z	Relative Intensity
52.22732	3.3
53.03939	7.7
55.01861	14.0
55.05510	42.1
56.96563	11.7
57.03417	7.0
57.07069	20.4
59.05000	30.3
60.59954	3.5
61.47809	3.2
65.03930	3.4
67.05500	41.4
69.03421	9.3
69.07065	50.2
71.04977	17.4
71.08630	5.6
71.59927	5.6
72.08136	4.8
79.05487	64.8
81.03416	10.4
81.07051	84.2
83.04977	37.3
83.08615	15.6
85.02898	4.6
85.06505	7.1
87.04405	4.8
91.04941	5.6
91.05472	41.2
93.07038	97.3
95.04950	26.2
95.08604	83.8
97.06522	27.7
97.10141	7.1
98.07865	3.3
98.97641	4.0
99.08081	10.5
103.05484	5.9
105.07011	51.5
107.04961	31.8
107.08588	99.9
109.06499	24.4
109.10151	35.1
111.08064	14.1
111.11745	6.6
113.06024	4.0
114.30389	3.9
115.07551	4.2
117.07018	13.8
118.06595	5.7
119.08566	38.2
121.06496	66.9
121.10133	44.7
123.04425	11.7
123.08052	14.5
123.11728	22.6
125.09615	15.4
127.11166	9.2
129.06960	3.3
131.08527	11.5
133.10098	31.1
134.99632	4.7
135.08057	36.3
135.11684	100.0
137.09598	9.6
139.07500	5.4
139.11194	7.0
141.06750	4.1
145.10114	18.0
146.05983	5.1
147.11670	14.7
148.86656	3.5
149.05936	14.3
149.09570	8.8
149.13257	45.0
151.07500	4.1
151.11198	8.1
153.09108	4.3
159.11653	25.7
161.13235	38.5
163.07530	11.1
163.11160	9.8
163.14761	4.6
173.13246	8.9
175.14803	7.8
177.05084	3.8
177.12758	12.5
179.14328	8.1
183.11778	4.1
191.14268	8.8
191.17955	10.3
201.12708	5.0
201.16376	22.5
219.13892	9.4
219.17415	57.7
232.10928	7.5
233.22980	4.2
237.11052	4.1
237.14763	46.2
237.18515	57.5
237.22127	14.2
238.08595	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	237.1848
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03936	4.1
53.09377	2.0
55.01866	5.9
55.05505	28.7
56.96561	5.9
57.07074	15.6
59.04995	52.6
65.03925	2.7
65.69290	2.3
66.94141	2.4
67.05497	37.6
69.03394	3.1
69.07063	40.5
69.57471	12.5
69.57877	5.3
71.04974	8.3
71.08615	2.5
74.78081	2.3
79.05486	35.6
81.03420	3.0
81.07051	100.0
83.04972	21.5
83.08607	14.5
83.85579	2.9
85.02882	3.5
85.06530	7.5
87.04456	3.1
91.05476	22.4
93.07039	61.5
95.04949	11.2
95.08597	73.4
97.06530	23.9
97.10153	7.5
98.18698	2.6
98.21415	5.3
98.97559	2.9
99.08083	7.0
105.07015	37.4
107.04951	12.7
107.08585	89.5
109.06502	37.9
109.10143	34.4
111.08092	5.8
111.11697	8.5
115.07539	6.1
116.98616	3.1
117.07046	2.9
119.08572	43.7
121.06471	8.3
121.10128	42.0
123.04392	4.5
123.08051	10.5
123.11693	19.9
125.09639	12.0
131.08542	10.9
133.10126	24.1
135.08069	4.6
135.11679	95.6
137.09592	3.1
139.11188	4.9
141.09064	10.1
143.10641	5.9
145.10083	19.9
147.11673	18.9
149.09584	4.5
149.13251	50.9
151.11154	3.9
159.11700	20.7
161.13242	43.9
163.11209	13.1
165.87659	2.3
173.13268	6.6
175.14787	8.7
177.00717	2.9
177.12741	8.7
177.16350	10.3
179.10648	3.1
179.14351	6.1
191.14342	5.9
191.17929	11.3
201.16356	26.6
203.60753	2.6
214.09834	2.8
219.13785	5.5
219.17416	52.4
232.11021	5.2
237.09105	5.8
237.14787	21.0
237.18494	51.2
237.22066	3.7
238.18648	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	237.1848
Annotation	cis-Bejarol
Peak:m/z	Relative Intensity
53.03931	5.3
55.01851	5.0
55.05505	16.6
56.96572	13.3
57.03423	8.0
57.07064	5.8
59.05004	2.3
65.03928	2.5
67.05499	20.1
69.03077	2.1
69.03426	34.5
69.07064	13.8
69.36033	3.2
69.36433	16.5
71.04989	67.5
71.08621	1.9
79.05481	21.2
81.03409	4.2
81.07053	75.7
83.04979	10.7
83.08601	4.9
85.02900	8.7
85.06537	5.6
91.05474	18.2
93.07039	28.0
95.04974	13.1
95.08598	19.7
97.02898	5.0
97.06525	11.3
97.10149	5.5
98.97598	9.6
99.04436	2.0
99.08086	22.3
103.05455	2.4
105.07020	35.6
107.04943	5.9
107.08587	28.3
109.06509	36.2
109.10144	24.3
111.08080	3.2
116.98616	6.4
117.07016	6.1
119.08598	14.1
121.06476	5.4
121.10126	17.3
123.04419	1.9
123.08043	6.5
123.11682	18.7
125.06042	2.0
125.09612	14.1
127.03848	1.9
127.07565	11.9
127.11190	70.0
130.07698	2.2
131.04866	2.9
131.08556	8.9
133.10123	52.3
134.38402	1.9
134.99651	2.7
135.08061	4.9
135.11719	4.6
137.09630	3.4
139.11180	8.8
143.08533	2.1
143.10646	12.4
145.06561	2.7
145.10097	26.1
146.05901	2.2
146.99504	2.3
147.11662	7.6
149.06017	2.2
149.09587	2.7
149.13255	4.1
151.11174	100.0
151.68600	1.9
155.08604	2.0
155.10658	23.3
156.08064	4.2
158.99698	3.2
159.08061	2.3
159.11693	8.6
161.01169	3.2
161.13315	4.2
163.11197	6.1
164.05911	2.5
165.08603	4.3
169.12234	2.0
173.09738	2.4
173.13235	5.1
175.07533	5.0
177.00706	5.4
177.09026	3.3
177.12794	4.6
191.10645	2.3
191.14291	3.8
201.09097	4.7
201.16385	7.2
207.09624	3.8
216.63515	2.2
219.10043	6.7
219.13705	4.8
219.17403	8.0
224.37926	1.8
228.10080	6.8
228.60397	1.8
229.07301	2.4
237.02617	2.1
237.10899	11.9
237.14792	13.7
237.18497	15.9
237.22084	3.4
237.60780	3.5
247.08569	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1849
Annotation	[R-(R*,S*)]-6-Hydroxy-2-methyl-6-(4-methyl-3-cyclohexen-1-yl)-2-hepten-4-one
Peak:m/z	Relative Intensity
51.05083	0.8
53.03938	2.1
55.01857	2.5
55.05314	0.9
55.05512	10.4
56.96555	2.6
57.07071	4.6
65.03923	2.3
65.51865	0.8
67.05506	73.3
69.07069	6.5
70.55388	3.3
71.04984	1.4
79.05069	1.2
79.05494	12.5
81.03414	2.2
81.07056	64.5
83.04969	5.0
83.08626	4.3
85.06498	2.2
91.05471	5.7
93.07042	17.1
93.77764	0.8
94.07336	0.9
95.04948	4.6
95.08607	100.0
96.08943	1.9
97.06512	2.3
97.10166	1.2
105.07021	2.7
107.04989	1.9
107.08588	12.4
109.02843	1.5
109.06487	2.5
109.10158	43.8
111.04404	3.9
111.08073	2.4
117.06998	1.8
118.06593	1.2
119.08559	4.0
121.06536	1.0
121.10146	11.0
123.08047	1.6
123.11700	8.2
125.05994	1.4
125.09619	1.3
131.08582	5.7
133.06577	0.9
133.10219	2.1
135.08054	1.3
135.11705	7.2
137.09630	2.7
137.13251	1.3
139.11151	1.3
141.14105	0.9
145.10121	4.0
146.05992	1.7
148.07590	1.6
149.02316	2.6
149.09651	4.6
149.13240	1.0
153.05453	2.6
153.06712	0.9
153.09096	1.5
154.24991	0.9
156.23242	1.0
159.11690	3.0
163.11192	4.0
167.10657	1.1
173.13260	1.4
177.09099	2.2
177.12651	1.6
177.16399	3.1
181.10094	1.0
181.12242	3.0
191.10683	2.5
192.06535	5.8
193.04903	1.8
195.13770	1.2
196.64307	0.9
201.16380	4.3
209.11719	8.8
211.13531	1.0
219.08284	1.1
219.17421	3.3
234.45686	0.9
237.09140	4.4
237.14775	6.4
237.18481	15.6
237.20967	1.0
237.22141	3.3
238.24292	0.9
255.09195	1.2
255.12514	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1847
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
53.03933	2.2
54.97630	1.0
55.01867	2.3
55.05507	19.2
56.96559	6.0
57.03427	2.1
57.07062	4.5
58.61125	0.9
59.04989	4.6
65.03945	2.4
67.05502	15.4
69.03426	6.6
69.07068	13.5
69.37743	9.1
69.38168	2.3
71.04987	14.3
73.17759	1.2
79.05485	13.4
81.03416	4.1
81.06574	1.6
81.07053	28.1
82.07407	1.1
83.04976	18.7
83.08614	4.0
85.02906	4.5
85.06527	3.0
88.16779	1.0
91.05478	11.8
93.07041	25.4
95.04955	10.2
95.08604	18.3
97.02875	2.8
97.06512	7.8
98.20772	1.9
98.97569	2.9
99.04420	1.3
99.08070	3.6
100.46361	1.1
103.05444	1.7
103.78841	1.1
104.04984	1.3
105.07020	17.3
107.04955	8.6
107.08585	15.7
109.06505	12.2
109.10152	14.7
111.08081	4.8
115.05420	1.6
116.98615	2.5
117.05746	5.5
117.07017	4.0
119.08572	11.7
121.06499	4.2
121.10139	19.6
123.04448	3.0
123.08068	5.2
123.11719	9.3
125.05897	1.2
125.09621	4.2
127.07548	1.4
127.11204	10.6
129.07030	2.3
131.04944	2.0
131.08574	5.8
132.04431	7.9
133.06496	1.2
133.10117	26.5
134.99641	3.5
135.08052	3.4
135.11726	7.1
137.09633	3.4
139.07587	1.2
139.11147	4.9
141.07028	1.0
143.10658	2.0
144.04463	1.3
145.05226	1.5
145.06516	2.2
145.10138	9.3
146.06017	2.9
147.11688	5.5
149.06006	2.3
149.09630	2.2
149.13258	7.7
149.94566	1.5
150.33014	1.1
151.11192	21.4
153.12747	2.3
155.08534	2.3
155.10721	3.0
156.08031	1.1
158.06073	1.2
159.11679	9.9
160.05223	1.3
161.06067	1.3
161.13223	2.4
163.03854	1.4
163.11229	4.9
165.07021	6.3
167.07233	2.5
173.09662	2.8
173.13274	4.3
174.96883	1.2
175.07530	6.1
176.96971	1.3
177.00755	2.7
177.05554	1.7
177.12761	5.2
181.08583	2.3
182.09650	1.1
183.08055	2.7
191.07133	1.7
191.10683	1.9
191.14320	3.3
192.08101	4.7
193.04996	1.2
193.11981	9.1
194.09706	1.8
195.06673	1.6
195.11729	1.4
201.09088	3.7
201.12747	3.3
201.16425	5.6
207.09784	1.9
209.08209	2.8
210.09116	18.4
210.10902	1.7
213.08098	1.5
219.10046	4.4
219.13811	5.3
219.17426	9.2
220.07574	9.6
220.99600	1.0
228.10110	2.8
232.09489	1.1
236.07083	3.5
237.07596	3.3
237.11000	4.3
237.14748	12.8
237.18510	10.5
237.22078	5.5
237.60704	1.2
238.08611	100.0
238.17970	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	237.1847
Annotation	Farnesoic acid
Peak:m/z	Relative Intensity
53.03945	2.9
54.86168	1.7
55.01857	2.1
55.05511	9.0
55.10491	1.7
57.07076	2.5
59.21469	1.9
65.03936	3.0
67.05499	64.3
69.07072	10.6
71.04986	2.0
71.58767	1.8
71.59145	2.2
73.78819	1.8
79.05498	14.8
81.07053	97.1
83.04974	1.8
83.08616	4.6
91.05434	4.8
93.07027	17.4
95.04943	2.6
95.08600	100.0
97.06528	2.0
97.10152	2.6
105.07009	3.8
107.08600	14.3
109.06482	2.1
109.10149	40.3
111.04417	2.4
111.08072	2.6
119.08552	5.5
121.10123	12.4
123.11724	14.1
131.08562	3.1
133.10101	2.4
135.11664	7.3
137.09615	4.2
137.13234	2.3
145.10091	5.8
149.09540	2.7
149.13223	3.1
156.32732	2.2
159.11670	2.7
163.11169	4.0
177.16356	2.6
201.16356	7.6
209.11624	3.5
219.17432	6.1
237.12825	2.1
237.14674	3.6
237.16562	2.3
237.18478	18.7
237.22128	7.7
238.17995	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	237.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.7
53.03950	3.5
55.01866	8.4
55.05509	15.2
56.96556	4.6
57.03434	2.9
57.07066	5.8
65.03933	5.3
67.05505	39.5
69.03439	8.4
69.07064	21.3
70.06582	2.3
71.05009	7.6
71.08609	2.4
71.59247	1.8
79.05489	75.6
81.03400	6.0
81.07052	62.1
83.04987	11.3
83.08630	9.7
85.06534	10.4
87.04481	11.1
90.62038	1.5
91.05479	49.3
93.07040	100.0
95.04958	21.2
95.08603	45.4
95.30663	1.4
97.02865	2.1
97.06547	12.9
97.10178	2.8
99.08097	6.0
101.06016	5.5
103.05437	1.9
105.04485	2.6
105.07027	49.4
107.04934	13.1
107.08591	71.0
109.06525	12.6
109.10154	20.1
111.04426	2.8
111.08085	13.5
113.05972	3.8
115.03944	5.0
115.05451	4.4
115.07545	2.4
116.06174	1.5
117.07001	14.5
118.06565	2.7
119.06100	1.7
119.08580	30.2
120.08096	4.1
121.06516	9.2
121.10139	34.4
122.77424	1.5
123.08067	17.3
123.11700	4.9
125.09612	4.4
129.07011	2.7
131.08563	27.1
133.10112	13.6
135.08043	10.6
135.11671	13.2
137.09615	14.7
137.13223	1.8
138.10364	3.2
139.07486	2.1
139.11171	5.6
141.05484	9.1
141.07007	2.1
143.08504	1.6
144.09308	2.1
145.06401	2.1
145.10117	19.2
146.05963	2.4
147.11691	16.7
148.07571	1.7
149.02310	1.6
149.09630	6.7
149.13246	9.8
149.74739	1.6
151.07527	2.7
151.11143	1.8
155.07086	1.8
155.08549	3.8
157.10147	3.8
159.07985	1.5
159.11705	12.5
161.09633	2.6
161.13232	5.4
163.07477	6.9
163.11176	9.1
163.14853	3.0
165.06976	4.3
165.12717	1.5
166.07796	3.9
167.08554	3.0
173.13254	23.3
175.14812	6.1
177.09091	2.5
177.12726	12.6
177.16379	4.0
179.08519	2.9
181.08578	4.2
181.10123	5.3
183.11658	4.7
191.08562	4.6
191.14314	10.6
191.18050	1.8
192.06628	10.4
193.05048	1.6
194.07269	3.1
194.10983	1.7
195.11720	4.2
201.12746	5.9
201.16406	2.6
209.09608	2.6
209.13263	4.7
219.08043	4.8
219.13829	9.5
219.17361	9.3
230.16998	1.4
237.09180	20.8
237.14648	31.5
237.17120	1.4
237.18471	14.9
237.22020	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	237.1847
Annotation	Farnesoic acid
Peak:m/z	Relative Intensity
53.03934	1.7
55.01865	1.5
55.05508	6.9
56.08742	0.5
57.07076	2.3
65.03924	1.2
66.04701	0.6
67.05501	38.5
69.07067	5.6
69.77526	0.4
69.91791	1.0
69.92199	2.3
71.04993	1.1
71.08628	0.7
79.05486	14.3
81.07050	100.0
82.07372	0.7
83.04955	2.7
83.08610	5.1
85.02904	0.6
85.06522	1.1
91.05489	2.6
93.07036	11.4
95.04968	1.5
95.08599	65.3
96.08923	0.6
97.06522	2.2
97.10156	1.6
98.21618	0.5
99.08065	0.7
103.05429	0.5
105.07028	2.0
107.08588	7.2
109.06500	1.6
109.10148	24.2
111.04389	1.6
111.08059	1.8
111.11754	0.5
117.06979	0.8
119.08536	2.6
121.06461	0.9
121.10143	7.7
123.08051	2.0
123.11710	4.9
125.09645	1.1
131.08565	1.9
133.10115	1.5
135.07986	0.8
135.11688	5.8
137.09630	2.4
137.13228	0.8
139.11101	0.5
145.10080	3.1
147.11714	0.9
149.09651	1.4
149.13231	1.0
153.09111	0.7
157.06384	0.8
159.11644	1.6
163.11176	2.2
173.13249	0.7
177.12744	1.0
177.16426	1.8
179.08597	0.8
179.10704	0.8
181.10094	0.6
181.12254	1.4
191.07072	0.6
191.17967	1.7
195.11781	1.2
195.13641	0.7
201.16385	4.5
207.11597	1.4
209.11600	0.7
219.17485	3.0
219.20935	0.7
220.02715	0.9
222.13947	0.8
237.12651	2.2
237.16412	2.5
237.18517	15.2
237.22038	3.3
238.03784	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	237.1484
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
52.71398	1.1
53.03944	8.3
55.01870	4.9
55.05511	11.8
56.96560	3.5
57.03439	2.8
57.07076	6.2
65.03938	3.7
67.05506	35.5
68.05839	1.2
69.03428	7.5
69.07064	18.1
69.37305	12.1
70.06564	1.4
71.04987	5.7
71.08624	1.5
79.05492	75.1
81.03410	7.1
81.07056	52.3
82.21713	1.2
83.04969	8.8
83.08629	6.1
84.08148	1.4
85.06553	8.2
87.04478	13.3
91.05479	46.8
93.07040	100.0
95.04967	22.6
95.08607	41.1
97.06532	10.9
97.10179	2.3
98.21592	1.3
99.08090	3.3
101.05996	5.6
103.05481	2.6
105.04536	2.3
105.07028	39.9
107.04961	6.1
107.08593	82.5
109.06502	9.2
109.10151	18.2
111.04427	1.4
111.08083	10.3
113.05998	3.8
113.09640	1.2
115.03942	5.2
115.05482	2.9
115.07579	2.2
116.06218	1.9
117.07014	11.9
119.08578	26.8
120.08105	3.8
121.06517	7.9
121.10143	27.6
123.08038	9.5
123.11721	6.2
125.09616	2.1
129.06961	2.8
130.07768	1.9
131.04933	1.5
131.08566	25.5
133.06534	2.1
133.10126	11.3
135.08020	6.7
135.11678	9.3
137.05946	2.6
137.09627	8.8
137.13199	1.5
138.10410	2.8
139.11143	3.4
141.05441	5.5
141.06996	1.5
142.37646	1.3
143.08614	2.8
145.06488	1.4
145.10109	19.3
147.11685	18.2
148.07620	1.6
149.09616	5.0
149.13232	8.6
151.11191	1.3
153.06966	1.7
155.07088	2.2
155.08586	2.8
157.10158	3.0
159.11702	9.4
161.13223	5.8
163.07538	3.2
163.11244	8.2
163.14842	2.4
165.07048	3.7
166.07793	2.1
167.08487	2.1
173.13264	22.4
175.11342	1.6
175.14868	4.7
177.09099	1.5
177.12720	9.2
177.16460	2.4
181.08643	1.5
181.10150	3.3
183.11736	4.1
189.07076	1.7
190.07803	1.6
191.08575	4.2
191.14343	8.0
192.06551	7.8
194.07286	3.5
195.11768	5.2
201.12772	6.0
201.16382	1.6
207.11751	1.6
208.12427	1.6
209.09552	2.1
209.13329	4.0
210.05453	1.6
219.08061	6.7
219.13788	6.0
219.17519	5.3
237.09137	22.4
237.12700	1.1
237.14584	24.4
237.16969	1.8
237.18422	7.0
237.22209	6.9
240.47806	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1484
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
51.02370	1.8
53.03939	7.2
53.10344	1.0
55.01873	2.8
55.05510	12.3
56.96564	2.1
57.03432	1.6
57.07085	1.8
58.99860	3.4
62.64851	1.1
65.03936	3.9
67.05506	31.4
69.03442	6.9
69.07068	11.7
69.30817	4.9
69.31247	6.2
71.04987	4.9
77.00912	12.4
77.03945	1.6
78.70863	1.1
79.05494	71.9
80.05799	1.2
81.03426	2.7
81.07056	52.0
82.07425	1.2
83.04987	6.3
83.08605	5.6
85.06519	2.1
87.04469	13.0
91.05480	48.8
93.07043	100.0
94.07365	1.3
95.01952	12.4
95.04958	20.1
95.08605	37.7
97.06505	8.1
97.10168	1.6
98.21537	2.2
100.02525	1.1
101.06018	7.1
105.04543	1.9
105.07029	38.2
107.04960	2.8
107.08594	73.0
108.05729	2.9
108.08894	1.4
109.06535	13.1
109.10163	12.7
111.08105	2.6
113.06036	3.3
115.03931	6.5
115.05434	1.7
115.07577	2.4
117.07021	10.4
119.08585	19.3
121.06481	1.9
121.10150	15.2
123.07185	1.1
123.08068	4.8
123.11710	2.7
125.09602	2.0
129.05469	1.7
129.07007	1.6
129.24524	1.1
131.08571	27.5
133.10115	8.7
135.08040	2.3
135.11725	3.9
137.06024	1.5
137.09641	1.5
141.05452	7.2
141.16129	1.1
145.10110	17.8
147.11691	18.8
149.02350	3.8
149.09656	1.4
149.13249	7.5
155.07045	1.9
157.10159	2.3
159.08220	1.3
159.11674	5.4
161.13283	5.0
163.07526	2.0
163.11122	1.3
173.13269	21.6
173.14691	1.8
177.12802	1.6
181.10083	2.4
183.11597	2.9
190.07745	1.7
191.08672	1.3
191.14331	3.2
192.06616	1.8
193.05023	2.0
194.07292	1.3
195.11714	1.5
201.12764	4.2
209.09666	2.0
210.05620	1.6
219.08147	1.6
219.13895	4.2
219.17473	2.5
225.13345	1.3
235.11768	2.5
237.05534	1.3
237.09546	9.0
237.13132	13.4
237.15152	41.6
237.18623	2.4
237.22154	3.7
238.13493	2.4
238.18059	4.0
243.14474	8.3
243.58940	1.2
251.11139	1.1
253.12758	2.3
255.14417	45.6
256.14630	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	237.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.7
53.03950	3.5
55.01866	8.4
55.05509	15.2
56.96556	4.6
57.03434	2.9
57.07066	5.8
65.03933	5.3
67.05505	39.5
69.03439	8.4
69.07064	21.3
70.06582	2.3
71.05009	7.6
71.08609	2.4
71.59247	1.8
79.05489	75.6
81.03400	6.0
81.07052	62.1
83.04987	11.3
83.08630	9.7
85.06534	10.4
87.04481	11.1
90.62038	1.5
91.05479	49.3
93.07040	100.0
95.04958	21.2
95.08603	45.4
95.30663	1.4
97.02865	2.1
97.06547	12.9
97.10178	2.8
99.08097	6.0
101.06016	5.5
103.05437	1.9
105.04485	2.6
105.07027	49.4
107.04934	13.1
107.08591	71.0
109.06525	12.6
109.10154	20.1
111.04426	2.8
111.08085	13.5
113.05972	3.8
115.03944	5.0
115.05451	4.4
115.07545	2.4
116.06174	1.5
117.07001	14.5
118.06565	2.7
119.06100	1.7
119.08580	30.2
120.08096	4.1
121.06516	9.2
121.10139	34.4
122.77424	1.5
123.08067	17.3
123.11700	4.9
125.09612	4.4
129.07011	2.7
131.08563	27.1
133.10112	13.6
135.08043	10.6
135.11671	13.2
137.09615	14.7
137.13223	1.8
138.10364	3.2
139.07486	2.1
139.11171	5.6
141.05484	9.1
141.07007	2.1
143.08504	1.6
144.09308	2.1
145.06401	2.1
145.10117	19.2
146.05963	2.4
147.11691	16.7
148.07571	1.7
149.02310	1.6
149.09630	6.7
149.13246	9.8
149.74739	1.6
151.07527	2.7
151.11143	1.8
155.07086	1.8
155.08549	3.8
157.10147	3.8
159.07985	1.5
159.11705	12.5
161.09633	2.6
161.13232	5.4
163.07477	6.9
163.11176	9.1
163.14853	3.0
165.06976	4.3
165.12717	1.5
166.07796	3.9
167.08554	3.0
173.13254	23.3
175.14812	6.1
177.09091	2.5
177.12726	12.6
177.16379	4.0
179.08519	2.9
181.08578	4.2
181.10123	5.3
183.11658	4.7
191.08562	4.6
191.14314	10.6
191.18050	1.8
192.06628	10.4
193.05048	1.6
194.07269	3.1
194.10983	1.7
195.11720	4.2
201.12746	5.9
201.16406	2.6
209.09608	2.6
209.13263	4.7
219.08043	4.8
219.13829	9.5
219.17361	9.3
230.16998	1.4
237.09180	20.8
237.14648	31.5
237.17120	1.4
237.18471	14.9
237.22020	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	237.1235
Annotation	3061-90-3
Peak:m/z	Relative Intensity
52.70858	0.2
55.52704	0.2
56.05037	1.5
65.03946	0.7
70.76536	0.4
70.76913	0.5
82.28210	0.2
84.04505	30.1
91.05482	100.0
92.05817	1.3
98.52635	0.2
102.05547	0.7
108.08118	19.5
109.08437	0.3
130.05011	4.4
174.09087	0.4
191.11818	3.6
200.18195	0.3
220.09691	14.1
221.09921	0.3
237.12405	2.9
259.17499	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
55.01870	0.4
55.05496	0.4
56.05023	1.1
56.96562	6.5
57.03431	0.8
58.06597	1.5
61.02919	1.3
67.05506	0.5
68.05034	0.5
69.03423	1.0
69.07086	0.3
70.06578	1.8
71.58582	0.5
71.95224	0.4
72.08165	0.5
73.02898	1.4
74.02437	0.3
74.97615	0.5
79.05492	0.9
81.03406	0.7
81.07053	0.4
84.01546	0.7
84.08134	0.7
85.02927	1.3
85.07664	20.3
86.06060	1.6
86.09711	0.6
88.03986	0.6
94.06563	0.6
95.04958	1.8
97.02898	2.3
97.99166	0.3
98.97582	1.5
99.04436	0.3
102.05527	0.7
102.96879	0.5
105.02090	0.5
105.04517	0.3
107.04948	100.0
108.05259	1.3
109.02916	0.5
111.02068	0.4
114.05533	0.8
116.00238	0.5
116.98616	0.9
117.02050	0.6
118.02853	0.5
118.06496	0.3
119.01839	1.0
120.08100	0.5
120.97898	0.5
121.01653	0.5
121.02766	0.3
127.00690	0.3
127.03931	0.4
129.02216	1.0
131.00134	1.0
131.08156	56.3
132.06587	0.6
133.03429	0.3
133.17337	0.3
134.02266	0.6
134.99689	0.4
136.07527	0.8
137.06010	0.3
137.54578	0.3
138.98911	0.8
143.02834	1.0
145.01730	0.5
145.47246	0.3
146.06015	2.9
147.03242	5.2
148.03882	0.3
148.11192	1.4
149.01236	3.4
150.05487	0.5
150.07736	1.1
155.01891	0.3
156.03606	9.8
156.53783	0.8
165.04295	2.0
166.53569	0.3
167.02332	1.3
167.54396	0.8
174.05505	0.4
175.12280	1.4
178.07024	0.5
179.02180	0.6
182.03314	0.4
191.02330	0.8
192.06546	0.5
196.99374	0.4
197.03084	0.4
207.01767	0.4
209.03307	1.1
214.03813	0.4
228.05670	0.6
232.04906	0.4
237.02740	0.5
237.06543	0.7
237.12363	6.2
237.22198	0.5
238.07312	0.3
246.69452	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.01863	3.4
55.05511	8.9
56.96565	1.8
57.03426	2.7
57.07073	3.3
59.04990	2.3
65.03957	1.3
67.05508	7.5
67.49895	1.1
69.03418	3.2
69.07063	4.6
69.51884	8.5
70.06593	2.9
71.04990	2.3
72.08144	1.6
73.88577	1.1
75.10562	0.9
79.05495	12.0
81.03436	2.6
81.07054	8.5
83.04987	27.4
83.08617	2.5
84.04523	1.4
84.08150	2.8
85.02905	100.0
85.06545	1.8
87.78592	1.1
89.52686	1.1
91.05479	17.1
93.07062	7.0
95.04978	4.0
95.08610	6.6
97.02859	1.3
97.06555	5.8
98.20728	2.4
101.45455	1.0
105.07049	5.2
107.04946	5.8
107.08588	10.3
109.06522	9.3
109.10181	2.1
111.04436	13.7
111.08043	2.7
113.05978	1.9
115.05473	3.7
116.06245	1.5
117.07020	2.1
118.06579	1.6
119.04911	2.1
119.08591	4.0
120.08115	2.2
121.02846	2.2
121.06509	1.8
121.10167	4.5
123.08043	1.5
123.11723	1.8
125.05997	35.9
125.09656	4.3
129.07005	2.0
129.10162	1.5
130.05038	1.1
131.04947	1.6
131.08594	11.7
133.06570	1.1
133.10175	1.8
135.08057	45.5
135.11736	2.6
137.06062	2.1
144.05737	3.3
145.10115	2.1
146.06050	3.6
148.07582	1.7
149.02312	1.2
149.09636	5.8
151.07568	2.4
151.11171	1.1
153.05544	7.6
153.07062	1.6
153.09105	21.9
159.08069	13.5
159.09248	1.4
159.11713	1.5
161.05969	1.2
163.11183	1.7
165.07004	5.0
166.07756	2.6
167.10677	1.6
173.09723	1.4
173.11891	1.1
177.09108	45.0
177.12712	1.9
179.07062	7.6
181.04991	6.1
181.06499	2.5
181.10094	1.6
189.07104	2.5
190.07838	2.9
191.08659	8.9
191.10516	8.0
191.14391	3.1
192.06590	11.3
194.07240	8.1
195.08250	1.7
195.10146	9.3
201.12711	1.4
204.07852	2.9
209.09734	5.6
209.11787	17.7
218.07306	1.9
219.08093	8.2
219.10226	24.6
219.13666	2.2
220.08667	1.3
223.07874	1.1
236.08128	1.8
237.09132	40.3
237.11209	4.3
237.14862	4.4
237.16891	1.2
237.18465	1.8
237.22171	7.1
238.09340	1.3
251.11827	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.1
51.61850	0.1
53.03941	0.4
55.01867	0.2
55.65519	0.1
56.05028	0.5
56.96550	0.2
58.06594	1.5
68.05022	0.4
70.06572	0.3
70.90548	0.4
71.57503	0.1
77.03928	0.2
79.05476	1.0
80.98179	0.1
85.02889	0.2
85.07657	21.5
86.06058	1.2
86.07974	0.2
95.04955	0.9
98.97564	0.3
102.05535	0.3
102.96853	0.2
105.04496	0.2
107.04942	100.0
108.05273	0.9
114.05530	0.7
118.37682	0.1
131.08148	58.5
132.06570	0.7
132.08501	0.5
181.66531	0.1
232.34142	0.2
237.12303	6.8
238.10757	0.2
257.36124	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.091
Annotation	trans-4,5-Dihydroxy-4,5-dihydropyrene
Peak:m/z	Relative Intensity
53.03934	0.8
55.01629	0.5
55.01873	8.2
55.05517	2.7
56.96543	0.9
57.03421	0.9
57.07059	1.4
64.48500	0.4
65.03932	1.5
67.05506	3.8
69.03419	1.0
69.07057	2.7
70.06577	1.4
70.72804	0.6
70.73157	1.2
71.04975	0.9
71.08614	0.5
72.08133	1.0
76.28903	0.4
77.14060	0.5
79.05486	3.6
81.03402	1.3
81.07042	3.2
83.04977	1.8
83.08616	1.0
84.01537	0.5
84.04520	0.7
84.08133	1.6
91.05480	12.9
93.07056	3.0
94.06645	0.6
95.04942	2.0
95.08606	2.2
97.06506	1.6
98.97609	0.5
103.05397	0.9
105.07048	2.3
107.04950	7.3
107.08575	2.0
109.06502	1.5
109.10154	1.0
111.04443	0.9
111.08073	1.0
115.05457	6.8
116.06233	1.2
116.98619	0.8
117.07022	1.4
118.06531	0.8
119.04926	2.8
119.08557	1.0
120.08092	2.0
121.06506	1.8
121.10149	1.7
123.08054	1.7
125.09622	0.7
127.28512	0.4
129.07062	0.7
131.04933	6.3
131.08527	1.6
133.10147	0.8
135.08040	1.8
135.11723	0.6
137.05934	1.3
139.07498	0.6
141.06970	1.5
143.04924	0.5
144.05705	14.3
145.06148	0.4
145.10127	1.0
146.06003	1.7
147.11650	0.5
148.07536	1.0
149.05919	0.6
149.09622	0.8
149.13240	0.5
152.06183	2.1
153.07024	2.2
157.06493	1.3
157.10126	0.6
159.11682	0.8
163.11185	1.0
165.06990	12.8
166.07759	11.5
167.08536	2.2
168.05658	1.5
169.06517	1.0
173.13208	1.0
176.06201	0.9
177.06960	1.2
177.12711	1.0
178.07750	0.8
179.08542	1.9
180.09348	0.5
181.06490	4.8
181.10097	4.7
182.07295	0.8
183.07904	0.5
189.06996	5.6
190.07773	11.1
191.08554	18.5
191.14328	1.2
192.06557	4.8
192.09117	0.5
193.05035	0.6
194.07262	23.6
195.08029	5.9
201.12750	1.0
202.07770	1.0
205.06514	1.3
207.08022	2.1
208.08815	2.3
209.06281	0.4
209.09607	12.2
218.07266	5.3
219.08031	17.4
219.13800	1.7
219.17538	0.5
219.21036	0.6
220.08717	2.1
221.06052	0.7
222.06726	1.9
223.07492	0.8
229.07648	0.7
235.07571	1.9
236.08388	1.5
237.09099	100.0
237.14799	2.7
237.22124	2.1
238.09416	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	237.0912
Annotation	trans-4,5-Dihydroxy-4,5-dihydropyrene
Peak:m/z	Relative Intensity
53.03943	0.7
55.01633	0.5
55.01875	7.9
55.05507	2.0
56.96557	1.5
57.03424	1.5
57.07053	0.5
57.81491	0.3
65.03938	2.9
67.05504	3.3
69.03423	0.8
69.07059	2.2
69.86362	1.4
69.86772	0.5
70.06580	0.5
71.04989	1.8
71.08610	0.6
72.08134	0.6
79.05487	4.1
81.03410	1.3
81.07059	4.3
82.98220	0.3
83.04987	2.6
83.08616	1.2
84.08148	0.8
85.02908	2.6
85.06538	0.5
91.05482	13.7
92.05815	0.3
93.07036	4.0
95.04974	2.3
95.08630	2.5
97.06534	1.7
98.20836	0.5
98.97594	0.4
99.08073	0.5
103.05483	0.8
104.85761	0.4
105.07021	2.2
105.76853	0.3
107.04952	7.2
107.08601	3.1
109.06496	2.6
109.10157	0.9
111.02679	0.3
111.04453	1.0
111.08065	0.7
115.05450	7.5
115.87690	0.4
116.06247	1.6
116.98605	0.6
117.07033	1.5
118.06506	0.5
119.04929	3.2
119.08575	3.4
120.08083	1.2
121.02882	0.7
121.06506	0.9
121.10109	1.6
123.08082	1.4
123.11704	0.6
125.05996	1.1
125.09637	0.6
129.07014	0.8
131.04936	6.9
131.08546	1.8
133.06468	0.3
133.10146	0.7
134.99619	0.4
135.08073	2.6
135.11674	0.9
137.06003	1.2
137.09618	0.6
139.03952	0.4
139.11346	0.3
141.07011	1.4
143.04886	0.5
144.05708	14.6
145.06229	0.4
145.10147	1.3
146.06026	0.9
147.08142	0.4
147.11702	0.5
148.07559	0.5
149.01271	0.7
149.02344	4.6
149.03499	0.7
149.09648	1.2
151.11180	0.4
152.06227	1.5
153.05577	0.3
153.07018	2.4
153.09100	0.8
155.04865	0.4
155.08530	0.5
157.06487	1.5
159.04486	0.4
159.08112	0.6
159.11688	1.5
163.07500	0.5
163.11209	1.2
165.05603	0.7
165.07004	13.0
166.07780	12.0
167.08519	3.1
168.05667	1.7
168.81458	0.3
169.06575	0.8
173.13303	1.7
176.06200	0.7
177.06998	0.9
177.09096	1.5
177.12755	1.0
178.07744	1.2
179.08560	1.5
181.06465	6.0
181.10088	4.8
181.15639	0.4
182.07266	0.4
183.11729	0.5
189.06993	6.5
190.07782	10.3
191.08559	18.4
191.14276	2.8
192.06569	3.1
192.09177	0.5
193.04967	3.6
193.06512	0.7
193.12077	0.4
194.07274	25.4
195.08054	6.3
200.06302	0.4
201.12755	0.8
202.07791	1.0
205.06511	1.4
207.08067	1.8
208.08765	1.7
209.06351	0.5
209.09648	12.4
209.11647	0.8
216.08328	0.7
218.07220	4.2
219.08060	16.8
219.13763	3.1
220.08806	2.0
221.05972	0.7
222.06787	1.5
223.07498	0.6
229.07637	1.0
235.07646	1.8
236.08325	1.3
237.09132	100.0
237.14868	4.9
237.22144	1.4
238.09439	3.5
243.46501	0.4
255.08983	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56313	0.2
51.02389	0.2
51.07570	0.2
55.01871	0.3
55.05511	1.3
56.05028	1.0
56.96559	0.5
57.07069	0.7
58.06585	0.7
60.04517	0.5
60.05658	0.2
61.01145	0.2
67.05485	0.9
67.43904	0.2
68.05015	0.5
69.03421	0.4
69.07073	1.1
70.02946	0.2
70.06595	4.3
70.10702	0.2
71.04980	0.2
71.06928	0.2
71.57734	0.3
72.04509	0.3
72.08154	2.5
73.02924	0.4
74.02031	0.3
74.02441	5.7
74.06064	0.4
74.09206	0.2
77.03945	0.4
79.05486	1.0
81.07060	0.9
82.06602	0.2
83.04979	0.5
83.08638	0.2
84.04491	1.0
84.08150	3.2
85.02902	0.4
85.07667	8.0
86.06068	0.5
86.09705	2.0
88.03970	0.3
91.05471	1.1
93.07044	1.0
94.06541	0.3
95.04974	0.7
95.06094	0.4
95.08604	0.7
96.06406	0.3
97.02911	0.2
97.06532	0.5
97.10155	0.2
102.05557	0.4
103.05417	0.2
105.04536	0.2
107.04955	35.6
107.08598	0.5
108.05299	0.3
109.06515	0.2
109.10129	0.6
110.07156	1.1
111.08096	0.3
112.08749	0.2
114.05535	0.4
115.08664	0.3
116.07092	0.5
116.98616	0.3
118.06541	2.0
120.08102	0.6
121.02881	0.3
122.07117	0.3
122.09672	0.5
123.11716	0.2
125.09637	0.3
128.04962	4.9
129.10213	1.4
130.06506	1.0
131.08167	19.3
132.04465	0.7
132.08484	0.2
132.60683	0.2
134.99652	0.3
135.11708	0.4
136.07590	0.4
146.06010	100.0
147.06367	2.0
147.08073	0.2
148.03947	1.4
149.10814	0.2
149.13255	0.3
150.05820	0.2
150.07748	0.5
155.54820	0.3
156.75145	0.2
156.97450	0.4
157.07541	0.3
158.06018	0.7
164.07037	0.4
167.14357	0.2
172.95259	0.3
173.07147	0.6
174.05493	0.8
174.98520	0.5
175.08667	0.3
175.11942	0.6
189.00682	0.2
190.96327	0.2
191.06476	0.5
191.08199	1.3
192.06473	0.4
194.07277	0.3
198.98529	0.2
201.16122	0.2
209.07648	0.3
210.05370	0.6
216.99660	0.2
219.07675	1.1
219.17432	0.7
219.21025	0.2
237.08894	2.6
237.12407	2.1
237.14648	0.4
237.18445	0.4
237.22278	1.3
238.07185	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0869
Annotation	N-Formyl-D-kynurenine
Peak:m/z	Relative Intensity
61.48713	0.6
62.96768	0.6
70.41791	1.0
70.42157	1.1
74.02434	3.4
75.03200	0.9
80.04996	0.9
91.05462	2.2
94.06567	2.0
103.05500	0.6
104.05002	0.8
106.06532	0.9
108.04475	0.8
110.06030	2.1
117.05779	1.2
118.06533	8.3
120.04449	2.6
122.05995	0.9
125.51312	0.6
128.04964	6.6
130.06529	12.0
131.07307	1.3
131.25461	0.5
132.04465	2.1
133.05219	2.9
134.06007	1.2
134.63011	0.5
136.07588	4.1
145.07599	1.9
146.06010	100.0
147.06369	2.0
148.03920	17.1
150.05495	1.9
155.06094	0.5
156.04338	0.5
157.07607	9.7
158.06075	1.1
159.09157	2.0
161.35696	0.6
163.05865	1.3
163.08658	0.6
164.07103	1.6
173.07124	5.2
174.05495	16.7
174.07860	1.2
176.07079	0.7
178.05025	1.5
191.08157	22.0
192.06560	2.2
192.08298	0.5
202.05051	1.9
203.08156	6.4
213.49184	0.5
217.19864	0.6
219.07687	1.3
220.06116	4.3
220.08093	0.9
237.08655	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	237.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
65.94793	0.4
68.88283	0.4
70.41885	1.5
74.02450	2.8
74.57523	0.4
75.03206	0.9
75.61913	0.4
78.91267	0.4
79.05512	0.5
80.04998	0.7
82.72524	0.5
84.08137	0.5
91.05478	2.0
92.04987	0.8
93.06963	0.5
94.06598	2.9
98.21507	0.7
99.00826	0.4
103.05481	0.4
107.04890	0.6
108.04466	0.8
108.08091	0.6
110.06048	1.9
117.05771	0.6
118.06539	7.0
119.06046	0.6
120.04447	2.1
120.08118	2.2
122.06047	0.7
128.04984	4.3
130.06516	8.8
131.07243	0.8
132.04459	1.8
133.05260	1.3
134.06001	0.7
136.07582	5.6
145.07608	1.2
146.06010	100.0
147.06398	2.0
148.03932	15.8
148.07599	0.5
150.05511	1.4
156.04431	0.8
157.07620	7.3
158.06018	1.4
159.09161	1.5
162.05479	0.5
163.05923	0.6
163.08691	0.9
164.07072	2.3
166.08647	1.8
173.07083	4.7
174.05510	19.8
175.08607	0.5
176.07045	0.9
178.04979	2.6
184.03888	0.5
185.07138	0.6
191.08154	25.8
192.06557	3.4
192.08276	0.6
202.05017	2.8
203.08153	6.4
209.09308	0.9
219.07764	1.3
220.06137	4.1
220.08102	0.8
228.03065	0.5
237.08682	9.3
237.22250	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0869
Annotation	N-Formyl-D-kynurenine
Peak:m/z	Relative Intensity
53.03928	2.8
55.01867	3.2
55.05502	3.3
55.93532	1.9
56.96562	8.7
57.03410	1.6
57.07067	3.1
60.04505	1.2
67.05507	5.6
69.03429	3.8
69.07062	5.0
70.02930	1.3
70.06591	14.8
71.04981	2.2
71.06911	4.5
71.10841	2.5
71.41740	1.1
72.08148	8.5
72.93774	2.4
74.02430	7.2
79.05482	5.2
81.03434	2.8
81.07048	5.4
83.04971	4.7
83.08611	2.5
84.08137	3.8
85.02901	5.2
85.06560	1.1
85.07654	4.6
86.06060	3.6
86.09702	3.7
87.22166	1.1
88.03987	10.3
91.05473	9.2
92.05015	1.2
93.07056	5.4
94.06561	37.3
94.07169	2.0
95.04963	4.4
95.08592	4.3
97.02911	3.0
97.06537	3.7
97.10156	1.4
98.02464	1.1
99.00809	9.3
103.05478	2.1
104.04977	9.3
105.07022	3.0
107.04948	67.3
107.08591	4.3
108.04567	1.1
108.05286	21.7
109.06496	2.6
109.10159	2.7
111.04433	1.5
114.09164	6.9
115.05461	1.3
117.05735	2.1
118.06535	54.5
119.06864	1.4
119.08587	2.5
120.04464	18.6
120.08060	2.5
121.06517	5.2
121.10144	2.7
123.04456	1.7
125.09572	1.5
128.04951	1.8
129.07062	1.4
129.10181	1.3
130.08640	13.0
131.04912	10.0
131.08154	16.8
131.08994	9.7
131.11803	8.1
132.04448	13.9
133.06438	2.2
133.10127	1.5
134.99690	1.3
135.08015	2.7
135.11768	1.3
136.07570	71.1
137.05992	2.4
139.11189	1.3
145.10127	1.7
146.05997	100.0
147.06256	1.2
148.03909	5.7
149.05998	1.8
150.05501	16.8
150.96935	1.6
156.04530	2.1
161.09709	1.5
163.08643	2.8
164.07048	11.1
165.06927	1.3
174.05498	54.0
175.07547	2.8
175.11659	1.1
177.09097	1.4
191.08183	4.7
192.06544	44.9
192.10254	3.7
202.04991	18.0
213.00563	1.9
214.96463	1.4
216.98256	1.1
219.06374	1.4
220.06044	12.8
234.98798	1.3
237.08730	5.1
237.12555	4.7
237.14989	2.1
237.22119	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	236.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01861	0.2
56.96559	0.6
57.03410	0.2
57.07068	0.2
58.63462	0.2
67.05489	0.4
69.07046	0.4
70.27232	0.2
70.66219	0.6
70.80491	0.2
71.08624	4.0
79.05464	0.4
81.07044	0.5
91.05470	5.1
92.05801	0.2
93.07032	8.1
94.37370	0.2
95.04949	2.1
95.08580	0.3
99.08073	2.0
101.99361	0.2
103.05457	6.2
104.07127	0.3
105.04471	0.4
105.07029	0.3
107.04923	0.3
109.06485	0.3
109.10118	0.2
116.10720	0.9
121.06488	100.0
122.06825	1.3
138.09119	20.7
139.09468	0.3
142.12265	0.3
162.09007	0.4
189.09096	0.3
190.09421	2.7
209.54546	0.2
212.99846	0.2
213.07962	0.6
231.09015	0.6
234.07576	0.2
236.10803	1.0
236.12767	0.2
236.16414	5.5
236.20248	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72451	0.7
56.05027	1.1
56.96561	2.2
57.03437	1.5
57.07078	6.1
58.06588	0.7
58.07395	1.3
60.04523	0.9
60.24934	0.8
67.05466	0.9
68.05044	1.5
69.07075	2.5
70.06596	13.4
71.04976	0.8
71.07375	1.4
71.12880	1.9
72.08156	2.9
79.05488	2.8
81.07063	0.9
84.04491	2.2
84.08157	5.2
86.06084	2.7
86.09708	3.1
87.06842	6.4
88.07639	1.9
91.05479	16.0
93.07059	1.0
94.06585	1.1
95.04961	1.2
97.02846	1.1
103.05473	8.0
105.07018	4.4
107.04974	6.1
110.07165	2.3
116.07104	1.0
117.07005	1.5
118.06541	6.9
119.07328	64.6
120.08125	15.9
123.07965	0.8
125.05946	0.8
129.10266	2.0
130.06589	4.1
130.07542	1.0
131.04944	3.6
131.08568	3.7
132.08116	1.3
133.06514	1.1
134.06053	0.9
144.08099	1.2
145.10088	1.0
146.06049	2.1
148.11145	0.9
155.08589	1.0
156.07889	1.4
157.08945	2.0
172.11180	12.5
179.10512	1.4
180.11034	2.6
190.12270	100.0
191.12587	1.8
192.06538	1.8
208.09795	0.9
209.04503	1.3
209.09467	0.8
218.11908	1.0
236.05482	1.3
236.09164	2.6
236.12877	14.3
236.17255	10.8
256.46713	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24788	0.4
53.03930	0.8
55.93523	0.4
56.96570	1.6
57.07074	0.7
58.06600	0.4
58.07404	0.5
61.02931	0.3
65.47839	0.3
68.05034	0.5
69.86466	0.8
69.86880	1.1
70.06586	39.4
72.04507	0.4
72.08149	2.4
72.93782	0.9
73.02931	0.4
77.02998	0.4
79.05482	1.2
81.03418	0.7
83.06094	0.3
84.04496	0.6
84.08141	1.2
85.02897	0.4
86.06068	0.9
87.04442	1.0
88.04008	0.4
88.91501	0.4
90.94804	0.5
91.05444	0.5
94.06563	0.6
95.04974	1.7
95.06090	0.5
96.08064	0.3
97.02879	0.3
98.09695	1.7
98.21515	0.3
98.97527	0.6
107.04947	100.0
108.05279	1.0
110.09672	2.3
116.98678	0.5
119.05074	0.3
120.08097	2.0
122.09651	3.5
124.11251	1.9
127.12291	0.8
127.23321	0.4
130.08630	55.3
131.08984	0.4
140.98453	1.2
148.11200	3.8
150.12819	0.7
150.96872	0.6
158.11908	0.3
167.15398	3.9
180.10980	0.4
184.88947	0.4
186.99022	1.1
190.12289	0.6
191.67160	0.4
196.98969	0.5
197.01137	0.3
212.96698	2.5
213.00751	0.5
218.10191	1.4
218.13930	0.5
219.01625	0.4
230.97890	1.7
236.09251	0.4
236.12936	4.4
236.17238	1.9
236.21049	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01869	0.5
55.05510	0.4
55.93526	0.4
56.05020	0.5
56.96552	1.8
57.07071	0.5
57.93550	0.3
61.02896	0.6
69.03432	0.8
70.06585	33.9
70.95869	0.4
71.03624	0.8
71.04978	1.2
72.04498	0.6
72.08151	0.7
72.93763	0.6
73.02904	0.4
74.06058	0.3
79.05491	1.1
81.03408	0.7
82.06563	0.3
84.04474	0.6
84.08140	1.8
85.02892	1.5
86.06051	1.1
86.09699	0.6
87.04459	1.2
88.03983	0.7
88.91485	0.7
91.05461	0.9
94.06559	2.3
94.62484	0.3
95.04964	1.1
95.06055	0.7
97.02885	0.6
97.06531	0.4
98.06014	0.4
98.97558	0.4
99.00784	0.7
99.27502	0.4
102.05493	0.5
104.04961	0.5
104.07085	0.9
107.04942	100.0
108.05269	1.1
112.07603	1.0
114.05524	0.9
116.98593	0.9
118.06525	2.9
120.04482	0.9
120.08106	0.5
121.02791	0.5
125.14970	0.3
128.07018	0.5
130.08624	59.7
131.08115	0.4
131.11769	0.4
132.04453	0.8
132.95824	0.4
134.99628	0.7
136.07576	3.4
140.98415	1.3
146.06000	4.7
147.21031	0.4
150.05453	1.3
156.06508	0.4
158.11731	0.7
164.07013	1.0
168.98012	0.6
174.05492	2.3
174.11281	2.3
178.97890	0.3
186.98920	0.5
187.02679	0.4
190.08527	0.3
190.25456	0.3
191.10655	0.3
192.06516	1.7
194.95676	0.6
202.04948	1.1
212.96703	3.0
213.00595	0.9
218.13765	0.7
220.06113	0.4
230.97971	1.8
236.05385	0.5
236.09187	0.6
236.12813	8.4
236.14836	1.0
236.16936	2.2
237.02727	0.4
248.80273	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2055
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
51.13475	1.8
51.52611	1.5
53.03942	1.9
54.21927	1.4
55.05513	13.3
57.03424	3.3
57.07074	59.1
59.04998	1.5
65.03922	2.1
67.05503	74.2
69.07065	13.6
69.89029	2.9
69.89442	7.8
71.04967	1.9
71.08622	4.2
79.05486	24.6
81.07057	81.7
83.08608	6.8
85.06558	8.5
85.10180	3.1
85.63799	1.7
90.26627	1.6
91.05476	19.9
93.07036	26.9
95.04967	6.7
95.07983	3.7
95.08604	70.6
97.06528	8.4
97.10150	3.8
98.20786	3.3
99.08094	8.3
105.07044	13.1
107.08586	16.3
109.06525	1.7
109.10157	32.7
111.08082	5.2
113.09633	3.1
119.08575	13.0
121.10126	18.9
123.04453	3.4
123.08056	5.3
123.11711	16.5
125.09640	1.8
127.11145	1.8
132.21895	1.7
133.10129	17.5
135.11707	16.2
137.09630	4.0
137.13284	11.8
144.98595	1.4
147.11716	11.8
149.13268	6.3
151.11165	2.0
151.14806	6.1
153.12622	2.3
161.13261	8.4
163.14793	1.9
175.14864	5.4
179.10669	31.1
189.16394	3.5
214.82956	1.7
217.16161	1.6
217.19519	33.0
219.13802	1.7
235.16933	100.0
235.20573	50.0
236.17287	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	235.2055
Annotation	Nor-ent-labdan-7-en-aldehyde
Peak:m/z	Relative Intensity
53.03944	4.4
53.06291	1.9
55.01870	5.2
55.05502	23.2
56.96568	29.2
57.03432	4.3
57.06820	2.8
57.07071	33.8
59.04994	2.3
61.94052	1.9
62.23153	2.1
65.03938	3.1
67.05500	45.4
69.03425	6.2
69.07063	39.7
70.81172	2.0
71.04991	20.3
71.59710	3.5
71.95255	3.5
72.93790	3.8
79.05491	29.3
81.03389	4.3
81.07056	65.2
83.04973	4.9
83.08614	19.6
85.06536	5.0
87.59145	1.8
91.05474	24.1
93.07037	54.7
95.04970	11.0
95.08599	100.0
97.06551	12.2
97.10163	16.3
98.97587	5.5
99.08083	7.3
105.07016	26.2
107.04939	4.5
107.08591	66.7
109.02890	2.7
109.06503	6.6
109.10145	71.6
111.08058	5.4
113.96396	8.4
116.98615	3.7
117.06992	4.4
119.08566	40.6
121.02861	2.4
121.06502	2.4
121.10133	45.8
123.04421	5.3
123.08042	5.6
123.11687	19.6
125.09628	11.5
127.11220	10.1
131.08571	6.9
131.97453	7.9
133.10130	33.1
134.99654	3.8
135.08008	3.5
135.11671	14.4
137.09647	5.7
137.12318	2.1
137.13229	12.9
139.03859	2.5
139.11201	4.2
145.10089	4.6
146.06036	3.9
146.99586	2.1
147.11687	21.9
149.02310	2.4
149.09627	3.0
149.13252	66.0
151.07573	3.3
151.11200	5.3
151.14734	2.5
153.12668	3.2
157.10062	2.3
159.11623	2.8
161.09593	2.0
161.13226	22.8
163.07576	2.2
163.14813	9.8
165.12706	4.2
171.03313	3.8
171.48018	2.0
173.13264	3.0
175.11176	3.9
175.14827	10.9
177.00630	4.0
177.16388	9.1
179.10651	17.6
189.00748	3.1
189.04343	12.1
189.09157	5.0
189.16365	7.3
191.17953	5.3
199.14847	2.5
205.10065	2.3
207.05464	7.0
212.05914	3.5
213.07951	19.9
213.09770	3.4
217.15932	6.9
217.19504	35.9
231.08997	33.9
235.13193	9.1
235.14996	2.8
235.16927	74.8
235.20584	74.4
256.70770	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	235.1692
Annotation	(3Z,12Z)-Laurediol
Peak:m/z	Relative Intensity
52.86388	1.1
53.03942	4.9
55.01864	2.9
55.05506	8.3
55.55171	1.2
56.96554	2.9
57.07077	40.0
59.04994	1.4
65.03919	1.8
67.05506	20.3
69.07073	6.2
70.10549	6.4
71.04970	1.8
77.03915	1.2
79.05492	45.0
81.03394	1.3
81.07056	18.6
83.04963	2.1
83.08599	3.8
85.06543	1.9
88.05272	1.2
91.05482	33.3
93.07045	77.6
95.04977	11.3
95.08602	16.6
97.06508	1.8
105.07018	11.9
107.08594	36.3
109.06513	5.0
109.10139	4.7
113.06046	1.3
114.90128	1.2
117.07003	3.1
118.95847	1.3
119.07925	1.3
119.08599	14.7
119.76323	1.1
121.10146	33.2
123.04417	2.6
123.08058	2.1
123.11690	1.8
129.06979	1.3
131.00119	1.8
131.08556	4.1
133.10139	14.4
135.08051	3.4
135.11682	5.6
137.09647	2.3
143.08583	1.4
145.10107	2.2
147.11691	3.0
149.01172	2.3
157.10133	4.4
161.09612	1.2
163.07651	1.4
173.13232	2.2
175.11133	2.3
175.14816	5.7
179.10669	28.7
189.16408	3.7
193.12076	1.7
199.14812	4.8
217.15828	5.1
217.19836	1.2
218.63846	1.3
225.21454	1.4
235.16925	100.0
236.17184	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	235.1692
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
51.03759	1.1
53.03941	4.8
55.01856	2.1
55.05512	8.7
56.96573	3.2
57.06838	1.4
57.07080	21.7
60.20126	1.3
61.39925	1.2
65.03921	2.1
66.17773	1.1
67.05506	36.9
69.07069	9.4
71.04994	3.2
71.20326	2.3
79.05497	66.1
81.06593	1.5
81.07059	28.3
83.04980	2.1
83.08607	3.6
83.23305	1.2
83.95045	1.1
85.06541	2.8
91.05489	38.7
91.64159	1.3
92.42881	1.2
93.07047	87.4
95.04977	11.4
95.08604	21.7
95.67911	1.2
97.06513	3.7
97.10133	2.8
99.08067	2.0
105.04475	1.4
105.07035	18.8
107.04955	1.9
107.08601	37.7
109.06519	2.7
109.10198	6.6
111.08070	2.1
117.07027	6.3
119.08588	25.8
121.06506	2.6
121.10151	75.3
123.04414	3.0
123.08054	5.5
124.86739	1.7
129.07016	3.0
131.08546	10.1
133.10132	22.1
135.07132	1.3
135.08025	8.3
135.11703	13.3
137.09633	7.1
143.08548	4.7
145.10109	3.9
147.11671	4.3
149.01236	1.7
149.09621	3.1
151.11176	2.0
153.09116	4.6
157.10120	6.1
161.09607	3.4
161.13287	1.4
165.84073	1.4
171.11716	3.9
173.13216	4.1
175.11205	3.0
175.14833	10.3
179.10666	16.9
189.12802	2.1
189.16380	5.9
193.12224	1.7
199.14839	11.8
213.00189	1.4
217.15936	13.0
228.48083	1.3
235.16942	100.0
235.20703	3.6
236.17230	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1691
Annotation	Gajutsulactone A
Peak:m/z	Relative Intensity
51.02385	1.1
53.03948	5.4
55.01884	1.4
55.05509	4.2
56.96561	1.0
57.07079	6.3
65.03954	1.1
67.05502	23.3
69.07059	3.4
69.52961	3.9
71.05023	1.3
72.31359	0.6
77.03917	1.1
79.05492	38.6
81.07056	10.9
83.04983	0.8
83.08611	2.0
85.06537	1.3
91.05479	42.5
93.07042	100.0
94.07382	1.7
95.04971	12.4
95.08607	7.5
97.06523	1.5
97.10194	1.0
98.20713	0.6
105.04534	1.8
105.07028	6.4
107.04970	0.8
107.08597	19.3
109.06532	1.2
109.10175	2.5
111.08096	0.9
115.47179	0.7
117.07014	2.0
119.08585	7.2
121.06485	1.2
121.10138	26.6
123.08088	1.9
129.07001	0.9
131.08556	3.0
133.10144	8.7
135.08057	3.1
135.11676	6.4
137.09581	1.4
143.08562	1.1
145.10211	0.9
147.11690	1.9
149.09627	1.9
151.11240	0.7
153.09087	1.1
157.10136	1.9
159.11772	0.7
161.04529	0.7
161.09636	1.0
171.11676	1.0
175.14854	2.6
179.10719	4.3
189.12737	0.9
189.16376	2.3
199.14816	3.1
217.15881	2.1
235.07465	0.6
235.16927	25.7
235.20520	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1691
Annotation	(3Z,12Z)-Laurediol
Peak:m/z	Relative Intensity
50.01575	0.4
51.02368	0.8
53.03939	5.7
55.01870	0.9
55.05506	3.5
56.96559	1.8
57.07067	1.1
65.03931	1.3
67.05498	22.0
69.07061	3.3
71.04990	0.8
77.03913	1.3
79.05487	35.0
81.03427	0.5
81.07050	9.7
83.04964	0.8
83.08628	1.7
85.06528	0.6
88.58316	0.4
91.05473	39.9
92.05811	0.7
93.07035	100.0
94.07369	1.1
95.04965	13.0
95.08600	7.7
95.09160	0.2
97.06516	0.8
97.10166	0.4
98.21536	0.5
99.08089	0.6
101.06019	0.3
105.04489	2.1
105.07027	5.3
107.04968	0.5
107.08587	16.8
109.06491	0.9
109.10133	2.5
117.07015	1.8
118.03420	0.4
119.08569	5.5
121.06486	1.0
121.10136	21.9
123.08051	0.8
123.11727	0.8
129.06964	1.0
131.08556	3.2
133.10112	6.4
135.08032	2.1
135.11664	3.9
137.09619	0.9
139.07549	0.4
143.08589	0.9
145.10101	0.6
147.08003	0.6
147.11696	0.8
149.09616	1.0
151.11111	0.4
153.09137	0.9
157.10141	1.2
161.09691	0.5
171.11720	1.3
173.13240	0.9
175.11206	0.7
175.14839	2.7
179.10658	1.4
189.04285	0.6
189.12788	1.0
189.16383	1.0
192.93768	0.4
193.94154	0.5
194.91818	0.5
194.93372	2.4
199.14812	3.0
213.07959	0.7
217.15932	2.4
229.39651	0.4
231.08981	1.2
235.13293	0.7
235.16907	16.9
235.20546	0.6
253.11008	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1691
Annotation	7,10-Epoxy-ar-bisabol-11-ol
Peak:m/z	Relative Intensity
50.11941	1.2
53.03926	1.7
55.01860	4.9
55.05511	9.1
56.96540	5.3
57.03399	1.6
57.07070	13.1
59.04984	4.2
67.05501	14.5
69.03421	14.5
69.07060	14.5
70.72926	4.6
71.04985	20.6
72.93076	1.2
74.12950	1.0
75.77055	1.4
79.05486	23.9
79.71850	1.2
81.07050	23.9
83.04956	3.2
83.08597	5.6
85.06511	4.0
91.05477	23.2
93.06473	2.4
93.07040	42.3
93.07620	2.8
95.04961	18.7
95.08595	20.7
97.06515	12.9
97.10163	1.4
99.08073	4.4
105.07021	33.8
107.04971	1.5
107.08588	44.9
109.06520	11.8
109.09547	1.6
109.10162	16.7
111.08080	3.4
113.09644	8.3
113.96384	1.4
116.06209	1.4
117.06968	3.6
119.08572	31.1
121.06488	5.0
121.10140	40.0
123.04446	1.8
123.08070	11.4
123.11694	3.9
131.08563	13.3
131.97414	3.2
133.06465	2.1
133.10118	30.0
135.08025	5.1
135.11681	4.5
137.09608	11.7
137.13226	2.3
139.11165	24.8
143.08533	3.6
145.10109	12.1
146.05977	1.7
147.08064	1.3
147.11681	32.0
149.09610	42.1
149.13248	2.3
151.07506	1.8
151.11194	1.8
157.10085	4.5
159.11682	9.6
161.09615	9.1
161.13228	4.5
165.09225	1.5
165.12756	24.9
171.03310	2.2
171.11627	1.9
173.13176	2.4
175.11159	6.7
175.14894	8.1
175.16197	1.7
177.12776	3.4
179.10666	10.1
189.04330	3.7
189.16350	6.3
191.14340	3.2
193.12221	1.6
199.14801	7.0
207.05424	1.6
207.17453	2.7
213.07874	1.9
217.15875	24.2
220.12418	2.0
231.08934	2.8
235.13104	2.6
235.15038	4.1
235.16905	100.0
245.14392	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	7,10-Epoxy-ar-bisabol-11-ol
Peak:m/z	Relative Intensity
52.44071	0.9
53.03949	6.4
55.01861	1.4
55.05515	7.2
56.96566	8.6
57.03433	2.6
57.07077	31.4
59.04984	1.6
65.03931	2.0
66.06571	0.9
67.05507	27.9
69.03399	1.1
69.07069	6.9
70.03576	1.9
70.03982	3.6
71.04976	1.4
77.03923	1.2
79.05493	50.9
80.05841	0.9
81.03414	1.9
81.06590	1.3
81.07057	21.8
83.04977	2.2
83.08593	2.4
85.06545	1.7
91.05483	41.7
93.07044	100.0
95.04976	16.6
95.08607	16.8
97.06520	1.7
97.10168	1.6
105.04492	1.7
105.07030	11.5
107.04951	4.4
107.08597	30.2
107.20323	1.1
109.02883	1.0
109.06521	4.5
109.10141	5.2
112.99033	1.0
115.05467	1.0
117.07014	3.6
119.08581	12.3
121.06538	1.5
121.10143	38.3
123.04424	3.4
123.08070	2.8
123.11698	2.1
129.06995	1.9
131.00143	1.8
131.08578	5.7
133.10143	12.6
135.08035	3.1
135.11694	7.5
137.09618	2.4
143.08546	2.5
145.10132	3.3
147.08006	1.4
147.11708	3.0
149.01205	3.4
149.09604	1.7
149.13266	1.2
153.09108	1.5
157.10081	2.5
161.09583	1.1
161.13261	1.7
165.13043	1.0
167.02373	1.1
171.11659	1.9
173.13226	1.1
175.11238	1.7
175.14821	6.0
179.10683	19.1
189.04350	1.6
189.12799	1.5
189.16367	2.0
199.14783	3.2
202.98848	1.0
207.08104	1.9
213.08003	4.5
217.15955	5.5
217.19525	1.9
219.13855	1.2
220.08865	1.8
231.08990	7.5
235.07507	3.0
235.11156	4.3
235.16927	94.2
235.20657	4.0
236.17244	3.3
256.58377	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.05518	0.9
56.96579	0.4
57.07077	9.7
65.03923	0.7
65.13107	0.4
67.05523	2.2
69.07053	0.5
70.06595	0.5
70.97646	0.6
70.97974	0.6
71.04974	0.4
72.08137	0.5
79.05491	4.5
81.07072	2.0
84.08157	0.6
91.05487	15.0
93.07050	3.2
95.04959	2.1
95.08599	1.8
98.97589	0.5
103.05422	0.7
104.28648	0.4
105.07037	2.3
107.04958	29.5
107.08568	2.0
109.06542	0.6
109.10163	0.5
115.05440	3.0
117.07026	1.4
119.04948	11.1
119.08559	1.3
121.06477	0.7
121.10143	1.7
123.04399	1.0
123.11721	0.4
128.06226	1.4
129.07004	1.5
131.00137	0.5
131.04900	1.7
131.08574	0.5
132.95851	0.7
133.10124	1.1
141.06987	6.9
142.07764	1.7
147.11658	0.8
149.01234	1.0
150.96863	0.6
152.06213	0.5
153.06970	0.8
157.06502	4.1
163.07642	0.5
163.45612	0.4
165.07018	4.8
166.07771	1.6
167.08594	0.8
169.06485	0.7
170.07275	1.0
177.06993	0.5
178.07802	4.4
179.08559	8.6
179.10677	5.9
181.06534	1.7
189.06900	2.0
189.12683	0.5
189.16351	0.7
190.07751	1.7
191.08540	4.5
192.09332	7.8
193.10100	1.3
194.07274	14.8
195.08014	1.5
202.07785	16.8
203.08513	5.1
205.06497	2.6
205.10117	1.6
206.07303	3.3
207.08063	31.9
207.11665	11.6
208.08504	1.3
208.11971	0.4
215.08586	2.5
216.09390	2.1
217.10167	10.0
217.15887	0.5
217.19446	0.5
218.07236	1.5
218.10823	1.1
219.08060	14.3
220.08836	41.3
221.09344	1.2
228.67847	0.5
233.09464	2.8
234.10399	1.7
235.07765	7.8
235.11180	100.0
235.16869	20.7
236.08363	2.2
236.11424	2.9
236.17001	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0965
Annotation	Pyrenochaetic acid A
Peak:m/z	Relative Intensity
53.03946	0.2
55.01891	0.3
55.05516	0.6
56.96572	0.5
57.07073	1.8
59.04993	0.2
67.05497	1.2
68.20979	0.2
69.03448	0.3
69.07069	0.4
69.33105	0.5
69.33524	1.3
72.93819	0.3
73.15046	0.2
79.05486	1.7
81.07037	1.4
83.04963	0.3
83.08632	0.4
85.06573	0.2
91.05477	3.6
91.05998	0.3
93.07039	2.0
95.04977	0.8
95.08616	1.1
97.06510	0.5
98.20680	0.3
103.05493	0.6
105.07024	3.5
107.04951	0.9
107.08585	0.9
109.06495	0.3
109.10166	0.5
113.96418	0.5
115.05471	0.6
116.06231	0.6
117.07039	0.7
118.07781	0.8
119.04983	0.3
119.08556	1.5
121.06496	6.1
121.10129	0.9
122.06841	0.2
123.04404	0.2
123.08051	0.4
123.11700	0.3
125.06032	0.3
128.06227	2.2
129.06998	7.4
130.07793	0.4
131.04912	1.5
131.08566	4.2
131.97443	0.6
133.06477	0.8
133.10117	1.8
135.08043	0.9
135.11705	0.5
137.09625	0.6
141.07005	0.3
143.08562	0.4
144.05740	0.3
145.06468	1.2
146.06113	0.2
146.07254	5.1
147.08022	1.0
147.11681	0.6
149.05974	6.8
149.09525	0.2
151.07524	0.4
157.06490	1.2
158.07280	0.4
159.04401	0.4
159.08089	1.2
160.97305	0.3
161.05988	0.4
161.09618	3.7
161.13260	0.3
163.03937	0.2
163.07535	0.4
165.09151	0.6
167.07071	0.6
171.08035	0.2
174.06776	2.6
175.07513	0.5
175.14853	0.3
177.05499	0.4
177.09077	0.8
179.07005	0.3
179.10666	1.3
189.09097	100.0
190.09450	2.3
191.07083	0.6
207.10155	5.6
216.77702	0.2
217.08614	0.4
217.15906	0.3
217.19543	0.6
235.09621	15.2
235.13335	0.6
235.16936	4.4
235.20615	0.8
236.10103	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0965
Annotation	Pyrenochaetic acid A
Peak:m/z	Relative Intensity
53.03925	0.6
55.01877	0.5
55.05511	2.0
56.96558	1.8
57.03435	0.8
57.07071	6.7
65.73148	0.5
67.05502	4.0
69.07063	2.0
70.06577	0.5
71.59822	0.7
71.60196	0.6
72.08186	0.4
72.93790	1.2
79.05482	3.6
81.07055	5.5
83.04956	1.1
83.08612	1.0
85.02887	0.6
90.94815	0.6
91.05479	6.1
93.07047	4.7
95.04942	2.3
95.08600	6.3
97.06527	1.7
97.10202	0.5
98.97598	0.6
99.04460	0.5
103.05481	0.6
105.07028	6.5
107.04948	1.5
107.08582	3.1
109.06512	1.7
109.10130	1.2
110.09701	0.5
111.08091	0.4
113.96362	2.1
116.06248	0.6
116.98663	0.5
117.07011	1.1
118.07808	0.7
119.04951	0.7
119.08584	3.2
121.02817	0.6
121.06496	6.2
121.10130	2.5
122.18051	0.4
123.04416	1.0
123.08056	1.2
123.11720	0.9
128.05373	0.5
128.06197	2.3
129.07005	7.0
130.07811	0.6
131.04918	1.6
131.08571	4.5
131.97414	2.3
132.95892	0.8
133.06511	0.7
133.10135	3.5
134.99622	0.5
135.08057	2.0
135.11673	1.4
135.44070	0.4
137.05960	0.7
137.09627	1.2
139.03931	0.5
141.06944	0.5
145.06462	1.5
145.10120	0.8
146.06099	1.0
146.07248	5.5
147.08015	1.7
147.11688	1.5
149.05977	6.9
149.09689	0.7
149.13339	0.6
150.96921	1.2
151.07541	1.1
151.63916	0.4
154.99059	0.5
157.06506	1.9
157.10109	1.1
158.07376	0.6
159.08067	1.4
161.05981	0.5
161.09625	4.2
161.13228	1.0
162.54236	0.5
163.07558	0.8
163.11163	0.6
165.09178	0.9
167.07027	0.8
171.11722	0.7
174.06761	2.9
174.96902	0.9
175.07484	1.1
175.11214	1.3
175.14798	1.2
179.10649	5.2
189.09099	100.0
190.09454	3.0
191.06999	1.6
191.14264	0.6
193.12083	0.5
207.05638	0.5
207.08191	1.0
207.10129	5.7
211.93964	0.6
217.12312	1.0
217.15886	1.2
217.19539	1.3
235.07831	0.6
235.09616	15.9
235.13219	2.0
235.16908	18.0
235.20634	1.9
236.09727	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0962
Annotation	Pyrenochaetic acid A
Peak:m/z	Relative Intensity
51.94376	0.2
53.03933	0.4
55.05508	0.5
56.96557	0.8
57.07071	1.5
65.03940	0.2
66.27686	0.2
67.05484	1.6
69.03451	0.3
69.07062	0.6
69.76637	0.2
70.56385	0.2
70.56714	0.6
71.08643	0.3
79.05486	1.0
81.07066	1.8
81.24088	0.2
83.08592	0.2
83.92063	0.2
86.98144	0.2
91.05465	4.3
93.07056	1.5
95.04945	1.0
95.08597	1.0
98.97585	0.3
103.05467	0.9
105.07015	3.7
107.04930	0.8
107.08583	0.8
109.10132	0.4
115.05454	0.4
116.06253	0.5
116.98568	0.3
117.06985	0.5
118.07787	0.4
119.04945	0.5
119.08573	0.8
121.06493	11.3
121.10132	0.5
123.04401	0.5
123.11720	0.2
125.89499	0.2
128.06183	1.6
129.06996	7.8
130.07777	0.2
131.04926	1.3
131.08556	4.6
133.06483	0.4
133.10095	1.2
134.03728	0.3
135.08037	0.7
135.11676	0.4
137.05894	0.3
137.09602	0.5
138.09140	1.4
140.26329	0.2
143.08615	0.3
144.05716	0.3
145.06500	1.3
146.06139	0.5
146.07259	4.8
147.08032	0.9
147.11646	0.3
149.05966	6.9
157.06441	1.5
158.07259	0.4
159.04457	0.4
159.08046	1.0
161.09625	3.8
161.13165	0.3
163.07512	0.3
165.09100	0.4
167.06960	0.5
171.11697	0.3
174.06744	2.3
175.07466	0.3
175.14853	0.4
177.09088	0.6
179.10670	1.0
188.08296	0.5
189.09087	100.0
190.09453	1.7
191.07014	0.6
207.10159	6.8
207.12050	0.5
208.10530	0.3
217.08627	0.3
217.15761	0.3
217.19366	0.3
220.08795	0.3
231.08960	0.3
235.09625	17.6
235.13307	0.6
235.16924	4.0
235.20526	0.7
236.09663	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0754
Annotation	4,5-Dihydroxypyrene
Peak:m/z	Relative Intensity
52.69603	0.1
53.03930	0.2
54.42895	0.1
55.01848	0.4
55.05505	0.6
55.43340	0.1
56.96553	0.3
57.07067	1.2
67.05500	1.0
69.03415	0.2
69.07040	0.4
69.42065	1.0
71.04969	0.3
71.07768	0.1
72.08157	0.1
72.93777	0.1
73.02898	0.1
79.05497	1.0
81.03406	0.3
81.07053	1.8
81.60536	0.1
83.06097	1.0
84.08122	0.1
85.02895	0.1
85.06517	0.1
91.05478	1.2
93.07044	1.3
95.04970	1.2
95.06059	0.2
95.08620	0.6
97.02883	0.1
97.06512	0.5
98.97581	0.2
103.05433	0.1
105.07031	1.2
107.04950	2.6
107.08588	0.7
109.06508	1.0
109.10135	0.2
111.04400	0.1
111.08099	0.1
112.11293	0.1
115.05437	0.2
116.98586	0.3
117.06991	0.3
119.04922	0.1
119.08562	0.9
121.06491	2.2
121.10122	0.4
123.04408	0.6
123.08072	0.3
125.05948	0.2
127.07551	0.2
128.06197	0.2
129.06554	1.4
131.00174	0.1
131.04890	0.1
131.08560	0.4
133.06459	0.2
133.10133	0.5
134.99640	0.2
135.08044	0.3
135.11717	0.2
137.04581	0.4
137.05913	0.2
137.09595	0.2
142.07715	0.2
143.08527	0.3
143.26680	0.1
145.06384	0.1
145.10107	0.3
146.05989	0.2
147.08018	0.3
147.11667	0.7
149.09608	0.7
153.09097	0.1
156.09308	0.1
157.06500	0.1
157.10155	0.5
157.13959	0.1
159.11726	0.1
161.05948	0.2
161.09627	0.3
161.13240	0.2
163.11189	0.1
165.05537	0.2
165.06993	0.5
170.98129	0.1
171.11714	0.6
173.09583	0.2
175.07507	0.2
175.11134	1.0
177.00696	0.1
177.05516	0.1
177.06975	0.3
178.07765	5.1
179.08553	5.1
179.10626	0.7
181.06522	0.8
189.06981	3.3
189.12724	0.6
190.07657	0.3
191.10628	0.1
192.05598	0.1
193.06517	0.1
193.12251	0.2
194.07211	0.1
199.11165	0.5
202.07886	0.2
205.06508	0.5
206.07225	0.9
207.08049	6.2
217.06375	0.6
217.10104	0.2
217.12263	0.8
217.15846	0.2
218.07219	0.8
219.08014	0.2
220.08858	0.7
221.06024	0.2
234.06743	5.2
235.07524	100.0
235.16805	2.4
236.07857	2.1
236.11566	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0744
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80845	1.1
54.01308	1.1
55.01851	2.9
55.05495	2.2
56.43077	1.1
56.94302	1.3
56.96568	1.9
57.07072	13.3
60.04512	5.6
61.01146	78.5
67.05521	1.6
68.99777	2.5
69.03441	1.4
69.07067	2.8
70.03802	1.3
70.06596	10.1
70.18686	5.9
71.05002	1.5
71.06907	3.2
72.04510	32.1
72.93770	4.1
73.02916	1.7
78.03783	32.4
79.05476	2.1
80.01496	1.3
81.07056	3.0
82.07395	1.8
83.08624	1.3
84.04474	1.7
84.08120	1.3
84.31329	1.3
86.02393	1.6
86.06058	18.9
86.09689	2.0
87.00822	44.1
87.04456	3.1
87.06400	3.2
90.05567	8.4
90.94831	3.1
91.05415	3.0
91.05913	3.0
93.07024	2.4
95.04950	2.6
95.08620	2.3
97.06499	1.8
102.03754	26.1
103.02156	56.2
104.01717	6.1
104.02359	1.4
104.03474	3.0
105.00069	3.1
107.04964	4.0
107.08588	1.9
110.06897	1.8
114.03771	17.9
114.05518	100.0
115.08642	1.6
116.98572	1.5
120.04794	89.2
129.00058	12.4
131.04922	1.8
131.06363	12.9
132.04767	17.1
132.95840	5.2
138.36951	1.6
139.09438	1.8
140.03409	5.5
146.02696	30.9
147.01093	38.6
149.07426	72.6
150.96892	2.1
153.07355	1.7
158.04462	2.0
158.97328	6.7
162.05862	2.7
162.96941	2.0
164.03737	30.1
174.05867	10.4
174.96948	3.3
175.05229	1.6
176.98460	1.7
179.10669	6.9
181.07004	1.4
188.03815	4.1
191.08470	43.3
199.07947	1.8
199.11627	2.8
200.03886	1.9
206.04819	2.8
216.97998	1.6
217.06389	11.1
217.12526	4.0
218.04822	6.7
234.99019	19.1
235.07524	28.7
235.09726	3.3
235.13455	3.4
235.14471	1.8
235.16914	25.2
235.19557	1.3
235.20360	1.8
252.99846	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.8
55.01859	1.7
55.05512	7.3
55.93512	1.7
56.05019	1.8
56.96558	6.7
57.03432	8.2
57.07060	2.0
58.99576	1.9
59.04997	2.3
60.04519	2.1
61.01143	2.2
61.04023	0.8
67.05477	1.3
69.03411	3.6
69.07062	6.2
70.00552	2.9
70.00971	1.3
70.02943	4.2
70.06581	5.4
71.08611	2.7
72.04519	8.0
72.08138	3.5
72.93776	3.4
73.02888	3.0
74.02421	1.1
76.02179	0.8
77.35265	0.9
79.05482	5.8
79.74658	0.9
81.03417	1.1
81.07053	21.0
82.06581	1.2
82.30323	0.8
83.06070	0.9
83.08590	2.9
84.04489	2.2
84.08144	9.7
84.96033	1.0
85.02880	3.5
86.06058	16.9
86.09687	2.0
87.00833	1.0
87.04460	9.9
88.02217	1.2
90.05550	61.7
90.94801	1.9
91.05473	10.9
93.07042	10.8
94.06550	1.6
95.04951	3.2
95.06048	1.2
95.08612	1.3
96.04513	0.8
96.08102	1.5
97.02866	3.0
97.06519	10.2
97.97388	0.8
98.02395	6.0
98.06043	1.2
98.97561	2.3
99.08082	13.6
103.02148	1.4
103.05460	7.8
105.00035	1.0
105.07022	1.2
107.04942	10.1
109.06509	15.0
110.06029	0.9
110.09672	2.0
114.05518	3.1
114.09159	15.7
116.03440	7.3
116.98589	2.4
117.09128	1.5
118.06553	1.1
119.04939	5.8
120.04773	2.1
120.06568	1.3
121.06496	100.0
122.06831	1.5
122.09635	1.0
123.04446	0.8
124.07577	2.6
127.07528	1.9
128.07062	3.1
128.98587	2.9
130.04993	3.1
130.08601	1.2
131.04010	1.5
131.04922	20.4
131.95059	1.1
133.06461	2.3
134.06004	1.2
134.99635	2.9
135.06732	0.8
136.06177	11.2
136.07562	8.9
138.08138	0.9
138.09129	14.8
140.07037	2.4
142.03215	2.0
145.06459	1.1
145.08530	0.9
146.05922	1.3
146.99657	2.0
147.04401	2.9
148.06123	3.4
148.07542	4.1
149.07376	1.1
150.96835	1.0
152.05357	1.0
152.07048	2.3
156.10155	1.9
160.07463	1.0
161.01215	1.0
163.03850	2.1
163.12265	2.6
168.06512	1.1
170.08005	0.9
170.11765	1.2
172.13332	1.0
173.01289	0.8
173.96019	1.0
175.03844	2.7
177.00647	0.8
180.06493	2.0
180.10158	1.5
188.03770	2.9
188.07080	1.4
188.10709	2.3
188.12721	1.1
189.00627	1.4
190.08540	1.2
190.10832	12.0
190.12308	2.8
191.02957	0.9
192.10210	1.2
198.07594	2.4
198.11241	16.8
201.00652	1.0
206.11777	4.5
207.06569	4.3
210.96965	5.7
216.06816	2.3
216.12289	13.0
222.04649	1.7
223.05994	1.3
228.97899	7.5
233.98483	0.8
234.04298	2.0
234.11198	22.1
234.13110	9.6
234.15202	35.4
235.16890	2.7
237.00574	1.3
237.02789	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.2
55.05512	1.3
56.96558	0.7
57.03433	1.6
57.07053	0.2
65.03931	0.2
67.05507	0.2
69.03441	0.2
69.07088	0.3
70.06579	0.3
71.59930	0.4
72.93777	0.2
79.05499	1.3
81.03405	0.3
81.07053	3.9
84.04478	0.3
84.08121	0.2
85.02908	0.3
86.09714	0.4
91.05461	0.9
94.04047	1.3
95.04946	0.3
95.06096	0.7
98.06059	0.2
98.97589	1.1
99.08127	0.3
100.69508	0.2
104.10737	0.5
105.07008	0.5
107.04958	0.5
107.08591	0.4
109.05115	0.3
112.08737	0.5
116.98607	0.9
119.03548	2.0
119.04900	0.4
119.08610	0.2
120.08056	0.4
121.02962	0.2
125.80239	0.2
128.98625	0.3
131.04935	0.3
131.08484	0.2
132.95906	0.2
133.10060	0.3
134.99648	0.6
136.06181	100.0
137.04584	3.3
137.06520	0.7
147.04431	0.3
147.11760	0.4
148.06111	0.3
149.09650	0.3
150.96803	0.3
152.04018	0.2
153.05467	0.3
162.07742	0.3
164.05823	0.3
165.31133	0.3
166.07159	0.2
174.96875	0.3
175.03906	0.5
177.00694	0.5
178.09720	0.6
190.10905	1.3
205.08148	0.2
207.06540	0.8
211.13200	0.3
214.08516	0.4
216.07391	0.2
234.13483	59.6
235.13739	1.0
235.16911	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31351	0.8
55.01862	1.8
55.05496	2.9
55.93514	1.1
56.05039	4.4
56.88985	0.8
56.96553	3.4
57.03427	3.5
57.07083	4.9
58.06584	3.0
60.04515	4.0
60.05620	1.1
61.02911	2.8
67.05484	2.1
68.05027	5.4
69.03436	3.5
69.07057	4.0
70.02951	1.1
70.06593	22.6
71.57034	1.3
71.57395	1.0
71.92989	1.0
72.04201	1.0
72.04517	10.1
72.08158	12.1
72.93783	2.8
73.02924	5.5
73.06532	1.2
74.02435	1.0
74.06063	2.6
80.05041	1.3
81.03407	1.5
81.04563	0.8
81.07064	1.0
82.06580	1.7
83.06106	1.3
84.04513	6.3
84.08141	35.0
85.01121	1.6
85.02914	7.9
85.06567	1.0
85.08461	1.7
86.06062	5.4
86.09708	43.9
87.04458	2.5
87.10021	1.0
88.03999	8.8
88.07629	13.1
90.94844	1.2
91.05462	1.5
93.04512	0.9
95.06068	1.1
96.04492	9.2
97.02878	2.2
98.06051	2.0
98.09697	5.5
98.97536	1.1
100.11256	1.9
102.03773	2.3
102.05545	3.5
103.03951	9.1
106.05003	1.0
107.04967	9.0
108.95827	1.4
110.01203	1.1
110.06043	2.2
110.07188	6.1
110.09676	2.4
112.07612	1.4
112.11289	0.9
114.05521	4.2
116.01650	1.1
116.07068	1.1
116.98608	2.0
118.05025	5.0
118.06429	0.9
119.04951	0.9
120.08112	2.7
124.03981	1.2
126.09145	1.8
128.07065	1.4
128.10719	35.6
129.10265	4.5
130.05046	1.9
130.08633	7.5
132.06558	3.7
132.10199	22.0
132.95848	2.0
134.99672	1.8
136.07567	2.2
139.06105	3.0
140.06494	4.0
142.04991	4.9
144.10173	1.9
144.95857	1.6
146.05989	1.6
146.08116	3.9
146.11754	2.1
147.11296	1.7
149.96121	1.7
150.96838	2.7
152.07089	1.2
152.10698	6.3
156.07730	1.2
158.11763	6.1
160.07550	1.3
160.09619	1.0
162.96927	2.3
164.07094	1.0
170.08121	1.3
170.11748	6.8
172.13307	2.7
172.95212	2.2
174.11264	14.1
179.10663	3.0
185.96111	1.4
186.96913	2.9
188.09303	2.0
188.12828	100.0
189.13089	1.2
190.96185	2.1
192.97888	1.0
198.11320	5.8
204.97935	1.3
206.08040	2.1
217.15497	8.4
229.01483	1.3
234.05574	1.6
234.07719	1.2
234.10815	1.7
234.13298	16.7
234.18147	9.1
235.16963	7.3
247.02538	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	234.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01863	1.4
55.05508	9.8
55.62441	1.1
56.01393	1.2
56.05028	4.8
56.96552	3.7
57.03436	7.2
57.07073	5.5
58.06587	2.7
59.04984	4.2
60.04512	2.5
60.08164	1.9
61.02940	1.3
67.05489	3.0
69.03425	2.8
69.07062	2.7
69.77310	6.5
70.02959	8.0
70.06593	10.8
71.07355	1.2
71.08614	5.6
72.04518	11.8
72.08152	19.9
73.02912	2.5
74.02429	1.7
76.02203	1.9
79.05517	6.8
80.04990	1.4
81.07057	26.2
82.06577	1.3
83.06081	1.6
83.08620	5.6
84.04488	4.7
84.08151	19.7
85.08474	1.5
86.06059	12.4
86.09711	9.6
87.04482	6.6
87.04897	1.0
87.10016	1.2
90.05554	100.0
91.05470	3.3
93.07037	3.5
94.06561	3.5
95.04966	1.6
95.08611	2.0
96.04469	2.1
97.06503	1.6
97.87569	1.2
98.02415	10.7
98.06026	1.5
98.09663	3.4
99.08086	10.9
101.09623	1.7
103.05454	3.6
104.07853	1.3
104.10727	2.9
105.07034	2.1
107.04945	3.5
108.04552	1.1
109.06523	25.7
110.05997	2.8
110.07170	2.3
110.09678	3.8
112.11240	7.5
116.03454	14.9
116.98597	1.3
117.09135	2.4
120.08109	3.2
121.06499	1.9
123.04398	1.8
124.99992	3.4
127.07552	1.2
128.07112	1.5
129.10225	2.0
130.06506	1.7
131.04924	40.1
133.06482	3.6
136.06155	3.9
138.09138	18.8
139.61497	2.8
145.08531	1.3
147.04356	1.4
148.07539	6.0
149.39993	1.2
149.96057	1.9
156.10208	4.5
160.07565	1.7
170.11755	2.9
179.10681	2.4
180.10179	1.3
182.15379	1.4
184.07339	6.2
185.35944	1.3
188.07117	1.8
188.12849	1.7
190.10854	2.5
198.05496	3.8
198.11279	27.2
210.14862	3.1
216.06644	3.0
216.10316	0.9
216.12276	20.3
234.05687	1.7
234.07767	2.0
234.11214	28.7
234.13391	17.3
234.18323	1.3
234.22096	1.4
235.16866	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	234.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78889	1.2
55.05500	4.0
55.93525	1.6
56.05033	4.2
56.96552	2.7
57.03442	1.6
57.07079	10.3
58.06580	3.1
58.64590	1.2
58.99586	3.1
59.04993	2.5
60.04534	2.1
63.19088	1.5
63.43621	1.2
67.05533	1.9
69.03440	7.2
69.07066	2.0
70.02953	4.9
70.06591	12.2
70.60155	5.0
71.08624	2.8
72.04514	8.7
72.08152	7.9
72.93777	2.1
74.02462	1.6
74.06068	2.6
79.05497	5.9
81.07064	14.7
83.08618	2.6
84.04498	5.0
84.08155	12.7
85.02895	2.1
86.05577	2.7
86.06069	37.5
86.09709	9.6
87.04465	20.5
87.10131	1.5
90.05556	51.0
90.94815	1.7
91.05478	4.6
93.07047	2.0
94.06583	6.5
95.04980	1.6
95.08652	1.2
95.34545	1.3
97.02871	1.5
98.02425	4.7
98.06038	2.7
99.08099	4.3
103.05440	6.6
104.10757	3.9
105.07054	3.1
107.04993	8.4
109.06512	11.7
110.06068	2.6
110.07157	2.6
110.09665	2.2
112.11241	2.7
116.03463	9.6
117.07046	1.6
119.04951	2.7
119.08595	1.7
120.08117	5.4
122.06030	3.5
129.10234	3.9
130.05042	3.3
130.06558	3.3
131.04932	100.0
132.05289	2.0
133.06494	5.2
136.06163	10.0
138.09146	8.6
142.03168	2.4
142.82053	1.4
145.06483	3.4
145.08548	1.6
146.06067	2.0
147.04405	3.3
148.06377	2.4
148.07568	20.4
156.10251	2.7
175.09975	1.4
179.07040	2.7
179.10744	4.6
184.07324	2.1
188.03784	3.2
190.10944	6.4
191.08591	1.5
198.11255	14.3
206.06146	2.0
206.08075	3.2
216.06474	1.7
216.10365	3.3
216.12366	12.4
234.07590	2.4
234.11278	93.1
234.13431	12.6
234.18474	2.1
235.11661	3.4
235.16905	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	234.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.7
53.42881	2.5
55.01856	4.4
55.93521	4.5
56.05026	10.6
56.19691	3.0
56.96557	3.6
57.07077	3.3
58.06602	5.3
60.04510	5.2
65.97857	2.6
67.05493	8.4
68.05008	7.2
68.99596	2.5
69.07070	4.6
70.02955	5.4
70.06590	31.3
71.57036	4.8
71.74492	2.3
72.08154	11.6
72.93781	4.0
74.02441	100.0
74.06085	31.0
75.06409	10.7
76.03967	2.9
77.35291	2.6
79.05492	46.5
80.05011	9.8
81.03429	5.0
81.07066	4.3
82.06594	5.1
83.04978	10.8
84.04491	10.0
84.08142	58.2
85.02894	5.3
85.07703	2.7
85.08464	9.6
86.09737	12.9
87.04431	2.6
87.10033	4.2
88.03954	4.4
88.07628	19.0
90.05549	6.1
90.94804	3.7
91.05486	15.0
92.62488	3.0
93.05769	3.1
94.06558	10.6
95.04975	10.5
96.04488	4.4
97.02886	3.4
97.06532	16.1
97.49107	2.5
98.09683	6.2
105.06983	5.8
106.06555	57.5
107.04951	87.3
108.04591	4.6
108.05196	15.7
108.08125	6.6
109.02855	7.4
109.06513	5.8
110.06018	7.2
110.07178	5.0
116.98613	2.9
118.06559	20.6
119.04926	4.3
120.08105	10.0
122.06098	3.6
123.04455	3.9
124.07578	9.1
125.05987	19.7
126.05551	5.0
128.07103	5.3
129.10213	5.6
130.08647	10.4
132.10161	2.7
134.06017	58.4
135.04384	16.0
136.07605	14.3
139.06349	5.1
144.08148	2.7
149.96106	3.7
150.96844	4.9
152.07063	52.7
153.05501	5.1
155.05782	6.1
161.07027	3.0
162.05501	8.6
162.96877	3.6
164.07057	2.7
170.08150	13.3
172.13432	3.5
180.06577	38.5
181.04918	3.9
188.07164	4.8
188.09180	5.8
188.14499	4.9
198.07629	30.9
206.08110	5.1
216.08641	24.7
216.12419	5.6
217.07098	5.7
217.15491	6.0
234.07538	4.1
234.09744	33.2
234.18449	4.4
235.16806	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	234.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31827	3.8
51.64534	3.3
53.03934	4.2
55.01855	6.2
55.05498	11.0
55.93529	27.3
56.05012	4.6
56.10940	3.2
56.96558	43.0
57.03422	7.6
57.07061	3.7
58.06591	5.0
58.07843	3.3
59.87915	3.6
60.04515	20.9
63.56340	3.4
65.03942	4.3
67.05493	5.4
68.05012	5.3
68.99787	4.1
69.03422	14.6
70.06601	19.4
71.04985	6.5
71.58997	6.3
71.92995	8.7
72.04498	4.8
72.08155	44.1
72.93783	41.4
73.02906	12.6
74.06068	7.4
76.73136	3.4
79.05489	12.6
80.04988	5.6
81.03415	27.2
81.05817	3.6
81.07037	9.3
82.06570	12.3
83.04954	13.3
84.04520	20.9
84.08134	14.2
84.96017	8.2
85.02908	8.2
86.06067	21.3
87.04463	23.5
88.03964	7.5
88.07610	5.9
90.94818	27.3
91.05465	26.1
93.07009	7.4
94.06567	10.1
95.04939	10.2
96.04480	9.2
96.08092	6.9
97.02925	17.9
97.06495	5.9
98.06048	50.4
98.97587	10.2
99.04464	3.9
99.08080	4.7
100.03979	4.2
102.05525	13.6
106.06542	10.3
107.04966	28.6
108.04469	7.7
108.08105	7.2
108.95842	10.6
109.02866	7.2
109.06460	5.0
110.06046	16.8
110.97530	4.8
111.04452	21.0
112.07606	4.3
114.05469	3.9
116.07065	6.3
116.98646	20.2
116.99416	3.7
119.04929	17.6
121.02859	12.2
121.06507	10.5
122.06014	14.3
122.09641	5.9
123.04393	10.2
124.03898	4.2
124.07582	24.1
125.02343	4.7
126.05497	20.6
126.12757	22.7
127.03867	5.2
128.07083	8.2
128.10696	4.1
128.98578	17.1
131.95079	7.6
131.97404	6.8
132.95872	6.9
134.05991	12.4
134.99640	15.6
135.04402	12.1
135.06604	4.1
136.07544	12.6
137.05981	6.0
138.05453	9.9
139.03874	4.9
140.04576	8.4
140.07043	12.0
140.10715	21.5
142.08594	11.0
144.95833	5.6
146.97406	8.0
146.99629	32.3
147.04385	13.7
149.96109	14.4
150.96844	16.4
152.07060	15.2
152.96350	6.8
152.98656	5.3
153.05472	5.4
156.06552	7.7
158.08080	4.1
158.10451	4.8
158.11763	100.0
158.97359	5.7
161.01205	9.2
162.05463	6.6
162.96892	7.6
162.99089	6.5
163.03929	6.7
163.12268	36.4
164.07019	3.6
165.00757	5.8
168.06546	17.1
170.08130	6.6
170.97374	6.2
170.99611	7.3
172.13336	33.1
173.96004	5.3
175.03908	17.3
175.97652	5.6
180.06525	12.3
182.97330	7.8
183.98108	4.0
185.96010	6.1
188.09070	3.8
189.00655	5.6
191.97147	4.7
192.95874	3.8
197.01158	3.6
198.07574	15.9
200.09192	3.8
200.98483	16.8
201.00555	4.8
201.99210	4.6
207.06509	26.6
208.06941	5.6
210.95016	7.8
210.96867	73.4
211.97623	5.9
212.98404	5.4
214.53618	3.8
215.96974	4.6
216.06885	4.8
216.08658	27.4
223.06058	8.9
224.06572	7.6
228.97954	96.1
229.98618	10.7
233.98395	22.2
234.07785	6.2
234.09729	61.0
234.13206	7.0
234.17290	4.5
234.19701	19.3
234.99217	4.5
237.02744	6.9
251.99500	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	233.9847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.3
55.05486	0.8
55.23995	0.3
55.93510	1.6
56.94291	0.7
56.96530	0.6
57.03398	0.8
59.21680	0.3
67.05480	0.3
69.03399	0.5
69.07018	0.9
70.02925	0.5
70.06541	0.7
70.95815	0.3
71.11253	0.7
72.04471	1.0
72.08096	0.8
72.72060	0.3
72.93780	22.6
73.02884	0.4
79.05437	1.0
81.03392	1.9
81.07059	2.3
83.08599	0.5
84.08096	1.3
86.00603	0.3
86.06036	0.8
86.09655	0.5
88.96866	0.3
90.05543	7.1
90.94813	6.4
91.05455	1.5
93.07021	1.4
94.06544	0.3
95.01298	0.3
95.04958	0.3
97.06540	1.5
98.02370	1.1
99.08096	2.0
103.05416	0.8
107.04902	1.0
108.08108	0.3
108.95857	1.6
109.06496	1.9
109.81413	0.3
110.09637	0.4
114.09154	1.6
116.03405	1.0
116.98530	0.6
117.99582	0.4
119.04916	0.5
120.08083	0.5
121.02879	0.3
121.06489	12.4
121.08857	0.4
122.09633	1.1
124.07561	0.3
128.98549	0.6
131.04893	1.0
131.97429	0.4
136.07545	0.8
138.09117	1.9
138.10023	0.3
140.96291	0.7
142.97859	0.9
146.97325	0.4
146.99622	0.4
147.04340	0.6
148.07507	0.3
150.96884	0.4
152.05281	1.4
152.07018	0.3
152.96291	1.1
154.06853	0.5
156.10210	0.5
156.16762	0.3
158.97350	0.9
163.12213	0.4
164.96295	2.0
166.97893	1.1
167.09377	0.4
168.95816	0.9
170.96213	0.4
170.97401	3.7
175.03839	0.4
182.97366	3.3
184.98941	0.6
186.96896	0.7
190.12187	0.3
192.95706	2.2
198.05899	0.6
198.11230	2.4
198.96971	0.8
200.98428	6.7
206.11707	0.6
207.06429	0.7
209.98323	0.4
210.96857	76.6
211.97144	1.2
216.06877	2.2
216.12251	1.4
228.97919	100.0
229.98186	1.5
230.98373	0.6
233.98454	12.3
234.07861	1.2
234.11168	1.0
234.13026	1.1
234.15149	4.3
234.98758	0.4
238.01724	0.3
251.99522	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	233.2266
Annotation	Aplotaxene
Peak:m/z	Relative Intensity
53.03951	1.4
55.05511	15.4
57.07086	2.6
63.30558	0.7
65.03951	2.4
66.27385	0.8
67.05505	100.0
69.07074	14.9
70.54107	2.3
71.08663	0.7
79.05492	25.9
81.07057	96.6
82.07390	1.4
83.08619	8.3
91.05480	5.8
93.07043	29.5
95.04976	2.2
95.08607	84.4
96.08958	1.1
97.10167	5.0
105.07035	3.2
107.04908	0.8
107.08591	14.7
109.10156	39.0
111.11729	1.3
119.08603	1.3
121.06505	1.1
121.10145	25.4
121.11033	1.2
123.11700	14.7
131.08607	1.5
133.10150	0.8
135.11694	23.1
137.13268	9.4
149.09547	1.2
149.13263	8.7
151.14819	4.9
161.09770	0.8
162.10440	0.7
163.14812	4.6
171.82808	0.7
177.16386	2.3
178.06306	1.2
191.17992	1.9
220.12949	0.7
233.09578	1.7
233.15355	1.7
233.18983	30.8
233.22635	52.1
234.19379	1.3
234.23003	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.05513	14.6
57.07067	2.9
65.03943	2.8
67.05505	100.0
69.07069	14.4
70.23798	0.9
71.08615	1.0
71.59399	1.0
79.05492	34.2
81.07056	90.3
82.07370	1.1
83.08612	7.9
90.43256	1.0
91.05486	8.0
93.07043	43.6
95.04979	2.7
95.08606	76.2
97.10165	2.4
105.07050	2.4
107.04965	1.1
107.08592	19.3
109.10153	29.5
117.07037	1.3
119.08571	2.1
121.06500	1.7
121.10139	51.6
122.10423	1.1
123.11707	11.2
131.08603	2.3
135.08081	1.1
135.11696	35.5
137.13255	8.1
145.10150	0.9
148.08809	1.5
149.09601	1.8
149.13266	12.6
151.14822	7.1
163.11154	1.0
163.14816	4.7
164.87672	1.0
165.16359	1.0
177.16408	1.4
192.97202	0.9
233.09674	1.3
233.11668	1.4
233.15320	2.3
233.19025	45.1
233.22675	57.3
234.19331	1.8
234.89383	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1646
Annotation	(S)-2',6'-Pipecoloxylidide
Peak:m/z	Relative Intensity
53.03924	0.6
55.01831	0.4
55.05490	0.9
56.05021	1.0
56.96565	3.8
58.06588	1.2
63.41574	0.4
67.05489	0.5
68.04995	0.5
69.07066	0.5
70.06587	2.1
70.18764	2.0
70.95856	0.4
72.08154	1.2
72.93778	4.2
73.02892	0.9
74.02425	1.7
74.06074	0.8
74.27199	0.3
79.05496	2.7
81.03407	1.0
81.07037	0.5
82.06563	1.3
84.04508	0.5
84.08135	80.1
84.95988	0.7
85.08426	0.6
86.09694	0.5
90.94814	2.2
91.05471	2.0
94.87930	0.4
95.04961	1.2
96.08108	0.8
97.02886	0.7
97.06458	0.4
98.06047	0.6
98.09686	16.7
98.97559	1.7
99.04456	1.0
102.97024	0.4
106.06560	1.1
107.04944	100.0
108.05286	0.9
108.95845	0.7
112.11253	1.4
116.98621	2.2
118.06560	0.9
119.04920	0.8
120.08096	0.6
121.01673	1.1
125.06026	0.5
125.10742	3.0
127.12303	13.8
128.07086	0.8
128.98596	1.0
131.97400	2.1
132.95856	1.6
134.06010	1.3
134.99675	2.5
135.04372	0.5
136.07549	0.8
139.02663	0.6
144.47156	0.5
146.97482	0.8
146.99635	1.2
147.04393	0.7
149.96101	2.4
149.98482	1.3
150.96875	2.9
152.07074	0.8
153.00708	0.7
160.07640	0.5
161.01105	0.5
167.97148	1.9
169.00208	0.7
170.09685	0.5
174.99117	0.7
175.03947	0.7
176.10675	1.0
179.02226	0.7
187.02821	0.7
187.08768	1.0
188.07089	0.5
190.98759	3.0
191.97107	0.8
193.00175	1.0
200.98553	1.0
207.06500	1.0
208.99808	1.9
209.98131	0.6
210.96851	7.3
210.98680	0.6
228.97932	9.7
229.00090	0.9
233.06473	0.8
233.16507	30.1
233.98483	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.05513	14.6
57.07071	5.2
67.05505	93.8
69.07070	12.2
69.94170	7.1
71.08626	1.6
71.90881	1.3
79.05495	53.9
81.07059	72.1
83.08630	9.7
85.10160	1.4
91.05481	11.0
93.07045	70.8
95.04994	3.3
95.08612	57.4
97.10144	2.8
105.07005	3.0
107.08596	34.3
109.06559	1.5
109.10168	21.0
119.08565	1.8
121.10146	100.0
123.11692	5.0
135.08052	1.6
135.11691	73.1
137.13245	7.6
147.08006	1.6
149.09628	2.5
149.13266	21.9
151.14793	10.4
158.58180	1.3
162.10463	1.5
163.11195	1.7
163.14818	4.0
165.16386	2.5
177.16423	3.6
188.07115	1.6
188.72324	1.5
191.17931	2.4
215.14230	1.7
233.15431	3.1
233.19008	45.0
233.22655	64.1
234.19328	1.7
234.23033	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	233.1536
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
51.02388	1.6
53.03928	3.7
55.01857	3.4
55.05514	12.5
65.03931	2.1
67.05172	2.2
67.05500	27.9
69.07064	14.0
70.11798	6.3
70.12165	3.2
71.04986	4.1
73.06518	2.1
79.05489	44.8
81.07053	25.2
83.04989	2.3
83.08607	3.0
85.06563	2.0
91.05479	95.6
93.07038	30.0
93.07618	2.1
95.04976	11.5
95.08598	12.1
97.06524	2.8
103.05455	8.0
104.06250	2.2
105.07030	100.0
107.04951	7.8
107.08588	13.3
109.06526	3.3
109.10149	3.8
115.05442	2.5
116.58667	1.5
117.07012	24.5
119.08582	65.5
121.06496	7.2
121.10145	11.4
123.08007	2.2
128.06203	1.6
129.06998	7.7
130.07799	1.5
131.08563	40.4
133.06465	4.1
133.10136	11.5
135.08009	3.4
135.11682	4.3
141.07002	4.2
143.08524	3.3
145.10101	13.0
147.08035	3.1
148.12148	1.6
149.09550	2.2
155.08546	5.6
159.11691	4.6
169.10120	6.6
171.11731	7.4
173.09595	2.5
173.13222	11.5
177.08954	1.7
187.11183	3.4
187.14738	8.7
189.45378	1.7
197.13264	8.6
213.22820	1.6
215.14259	10.1
218.01987	1.6
233.15376	74.5
233.22696	3.1
234.15756	1.8
239.65514	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1534
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
51.02364	1.7
53.03936	5.7
55.01858	2.9
55.05512	11.1
65.03922	2.3
67.05177	1.7
67.05502	23.1
69.07065	15.9
69.77209	1.4
70.04456	6.6
71.04968	4.1
73.06541	2.3
77.03938	1.6
79.05492	39.8
81.07056	22.7
83.04950	2.3
83.08589	3.7
85.06526	2.6
91.05478	100.0
93.07037	25.4
95.04959	9.8
95.08587	11.2
97.06483	2.3
98.21444	1.8
102.05676	1.4
103.05460	9.0
105.04456	1.4
105.07029	95.6
107.04951	9.8
107.08599	10.4
109.06495	4.1
115.05470	3.0
117.07005	27.8
118.07822	1.8
119.08578	62.2
121.06544	7.2
121.10131	5.2
123.08014	1.9
129.07024	8.3
131.08572	42.8
133.06462	3.5
133.10124	12.5
135.08035	4.1
137.09717	1.1
141.06966	4.8
143.00801	1.5
143.08554	4.7
145.10127	11.5
147.08035	3.1
147.11693	2.0
149.09668	2.0
155.08542	4.6
159.08026	1.9
159.11726	2.9
169.10124	4.8
171.11639	6.3
173.13301	10.2
177.09093	1.4
181.45903	1.3
187.11176	2.4
187.14828	9.4
197.13245	7.3
205.15862	4.2
215.14346	10.5
233.15352	83.2
234.15608	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	233.1535
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
53.03934	1.8
55.05508	6.9
56.96549	2.5
57.03416	1.2
57.07048	3.0
62.92854	0.8
65.03931	1.5
67.05499	11.6
67.64848	0.8
69.03427	1.6
69.07063	11.2
69.31750	8.0
72.47009	1.1
79.05485	16.8
81.07050	28.9
83.04959	1.7
83.08606	2.6
85.06536	1.2
91.05473	20.2
93.07035	22.9
95.04943	3.4
95.08596	25.1
97.06462	1.3
97.10138	1.2
103.05453	1.9
105.07021	40.7
107.04935	4.0
107.08588	21.7
109.06501	3.5
109.10152	8.8
111.04410	1.3
111.08070	1.6
115.05428	1.6
116.06237	1.1
117.07013	11.1
119.07948	0.9
119.08566	22.0
121.06487	5.8
121.10143	8.3
123.08076	2.1
123.11668	1.7
125.05996	2.2
125.48864	0.8
128.06224	1.1
129.06963	2.2
130.07767	1.2
131.07570	2.1
131.08556	42.6
133.06483	2.5
133.10117	12.4
134.10832	1.6
134.95767	1.9
135.04433	1.8
135.08029	2.4
135.11674	2.9
137.05942	3.4
137.09586	1.2
139.07515	3.2
141.06982	1.7
143.08542	3.8
145.06499	1.7
145.10106	41.2
147.07991	2.2
147.11681	8.4
149.05960	2.2
149.09598	2.6
149.13222	1.5
150.96864	1.2
151.07472	2.2
155.08569	3.9
156.09306	1.4
157.10069	2.3
159.08064	8.1
159.11671	17.6
159.12971	0.9
161.09535	1.0
161.13228	13.2
162.95241	3.2
163.07533	3.2
165.09169	1.7
169.10109	2.1
171.11667	2.5
173.09590	3.2
173.13223	3.5
175.38457	1.0
177.05414	2.0
177.09059	10.4
178.06245	2.2
182.10893	2.5
185.13293	1.6
187.11206	3.1
187.14810	100.0
188.15125	1.9
189.12814	1.0
189.16367	1.8
191.07025	1.0
191.10664	2.7
191.14296	3.1
197.13243	8.2
201.95366	0.9
203.08440	1.3
205.15912	2.3
215.14316	26.5
218.10870	1.8
233.02960	1.2
233.11548	2.5
233.13551	2.2
233.15353	60.0
233.18852	6.8
233.22490	1.6
234.15704	1.8
244.70808	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1534
Annotation	Hypacrone
Peak:m/z	Relative Intensity
53.03941	2.5
54.26584	1.2
55.01862	4.9
55.05507	8.0
56.96552	4.0
57.03409	1.9
57.07064	3.3
65.03938	2.0
67.05499	12.4
69.03414	4.5
69.07068	18.6
69.26576	14.9
70.06590	2.2
71.04970	2.9
71.06886	1.4
72.08160	1.8
76.02217	1.9
79.05486	17.1
81.03439	2.2
81.07057	12.6
83.01347	2.4
83.08621	1.2
84.08143	2.4
88.07610	1.6
89.54522	1.2
91.05475	30.0
93.07042	16.3
95.04967	22.1
95.08607	11.9
97.06496	3.6
97.10145	1.4
103.05428	4.3
105.07027	29.9
107.04988	7.4
107.08591	16.0
109.06513	65.6
109.10149	4.8
109.53647	1.3
111.04411	2.4
111.08084	1.5
115.05454	1.7
116.06284	1.4
117.07012	10.4
119.07797	2.1
119.08576	21.6
121.06499	90.8
121.10157	6.1
123.08052	4.0
123.11649	1.6
125.09636	3.1
129.06987	4.5
131.08562	16.1
133.06474	3.0
133.10112	9.2
135.04411	2.9
135.08055	100.0
135.11649	2.1
136.08385	1.4
137.05940	2.8
137.09602	5.6
141.06960	2.0
143.08537	3.4
145.06477	1.8
145.10115	10.5
147.08017	8.1
147.11674	3.7
149.05968	2.4
149.09592	12.3
155.08565	1.8
157.10141	2.9
159.07994	4.0
159.11699	7.7
159.82938	1.3
161.09650	7.3
163.07553	8.8
163.11147	3.0
164.08333	52.5
165.09050	3.7
166.93919	1.1
171.11702	3.4
173.09592	3.5
173.13313	8.0
175.11214	7.7
177.09105	22.4
177.12740	10.2
187.11211	2.4
187.14845	5.3
189.06950	3.0
189.12718	3.7
190.07803	6.5
191.14343	3.6
197.13280	3.5
202.07675	2.1
203.08466	4.1
205.10117	3.8
205.15927	2.0
215.08600	10.4
215.14284	7.7
215.17940	2.3
218.07306	8.0
232.08902	2.1
233.09653	28.7
233.15359	78.6
233.19016	5.8
233.22961	8.4
234.09995	1.7
234.15651	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1534
Annotation	Hypacrone
Peak:m/z	Relative Intensity
53.03946	2.2
55.05505	4.4
56.96558	1.0
57.03452	0.4
57.07058	0.7
59.05010	0.4
64.32409	0.3
67.05490	1.4
69.03421	4.6
69.07066	1.7
69.79291	0.4
71.04993	0.5
75.19263	0.4
77.03916	0.8
79.05486	58.5
80.06255	0.6
80.71506	0.4
81.07044	3.0
83.04980	1.8
83.08608	6.0
85.02895	0.5
85.06544	0.8
89.85114	0.3
91.05467	3.1
93.07045	4.0
95.04967	5.8
95.08592	1.6
97.06523	0.9
99.08122	0.5
101.32289	0.4
103.05481	0.5
105.04459	0.7
105.07022	7.3
107.04945	61.1
107.08583	8.9
109.06478	1.1
109.10150	0.6
111.04437	0.6
111.08070	5.7
117.07021	1.1
119.08585	5.8
121.06474	1.9
121.10129	6.5
121.10994	0.5
123.08030	1.1
123.11700	0.9
125.09608	2.4
129.06949	0.9
130.07761	0.5
131.08537	4.9
133.10129	6.2
135.08041	1.7
135.11717	0.5
142.07765	0.9
142.39648	0.4
143.08562	1.1
144.09265	0.4
145.10095	2.6
147.08025	1.0
147.11670	9.6
149.08533	0.7
149.09621	8.6
149.13245	3.4
150.07722	0.5
150.10342	0.6
155.08563	0.5
157.10097	3.3
158.10931	1.6
160.08795	1.6
162.95242	0.7
163.11186	0.4
171.11690	0.4
173.09584	1.0
173.13246	5.5
175.11172	9.0
187.14810	1.2
189.12695	0.7
191.14288	72.0
192.14632	1.3
197.13165	0.8
215.14247	1.1
233.15338	100.0
234.15715	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	Oculatol
Peak:m/z	Relative Intensity
53.03931	0.6
55.01873	0.9
55.05501	1.9
56.96552	0.9
57.03428	0.6
57.07062	1.3
59.04982	0.9
59.26866	0.3
65.03941	0.5
67.05499	5.4
69.03423	4.0
69.07050	1.7
70.27612	0.8
70.27988	1.2
71.04980	0.8
72.93777	0.5
78.55550	0.3
79.05490	5.6
81.03396	0.6
81.07043	4.5
83.04964	1.2
83.08612	0.6
84.08141	0.7
85.06523	2.2
91.05476	9.3
93.07037	6.2
95.04970	4.9
95.08601	2.5
97.02835	0.4
97.06503	1.3
99.04360	0.5
103.05478	1.1
105.07021	10.4
107.04301	0.4
107.04961	4.5
107.08590	5.1
109.02834	0.4
109.06519	3.4
109.10134	1.3
110.10590	0.4
111.08087	0.4
115.05442	1.3
116.06213	0.7
116.98624	0.4
117.07030	3.5
119.04932	0.9
119.07784	0.7
119.08571	9.9
121.02977	0.4
121.06503	10.7
121.10141	3.8
123.04415	0.9
123.08047	2.0
128.06210	0.5
129.07047	2.3
130.07773	1.1
131.04903	0.7
131.08562	11.8
133.06503	2.0
133.10112	3.8
135.08051	3.2
135.11668	0.7
137.05946	0.4
137.09575	0.8
141.06964	0.9
142.07733	1.1
143.08545	2.9
144.05655	0.7
144.09315	0.7
145.06474	1.4
145.10110	11.3
147.08011	1.7
147.11714	2.2
149.06015	0.5
149.09605	8.0
151.03821	0.5
153.06963	0.6
154.07750	0.6
155.08556	2.1
156.09331	1.9
157.10100	4.3
158.07240	1.2
158.10884	1.4
159.08051	10.9
159.11674	4.6
161.09558	0.7
161.13251	1.3
163.07533	0.6
163.11122	0.7
163.14868	0.5
167.08580	2.5
168.09361	0.5
169.10112	2.7
171.08070	0.5
171.11659	2.8
172.08862	0.4
172.12425	1.8
173.09633	6.2
173.13245	6.0
174.10287	0.7
175.11220	1.8
177.09106	1.7
182.10902	6.3
185.09572	1.0
186.10329	0.4
187.07468	0.8
187.11153	2.4
187.14804	4.9
189.09106	0.4
189.12730	3.3
190.98808	0.5
191.03386	8.4
191.14259	2.5
197.13251	11.2
200.11963	1.6
204.04184	0.5
205.15990	0.5
215.10780	1.5
215.14304	27.0
233.08092	3.1
233.11618	3.2
233.15343	100.0
234.09117	1.1
234.15678	1.5
252.30487	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
53.03930	3.5
55.01858	4.0
55.05510	13.9
56.96563	6.3
57.03420	1.4
57.07067	2.2
59.04979	1.5
63.56642	0.9
65.03925	2.7
67.05505	30.3
69.07069	13.2
70.06570	0.9
71.04980	3.7
71.59552	1.3
71.95222	0.9
73.06531	2.7
74.80609	0.9
79.05493	42.1
81.03408	3.3
81.06583	1.7
81.07055	27.0
83.04980	4.0
83.08607	4.1
84.08101	0.9
85.06552	2.7
91.05482	100.0
92.05798	0.9
93.07045	31.6
95.04964	11.4
95.08609	16.5
97.06529	5.9
97.10178	1.1
99.08105	1.5
103.05471	8.4
105.04510	2.4
105.07030	86.1
107.04954	10.9
107.08594	17.1
109.06512	10.5
109.10142	3.4
115.05432	3.0
116.06255	1.4
117.06231	1.4
117.07022	26.5
119.08579	63.5
121.06508	11.0
121.10139	8.9
123.04416	2.9
123.08036	3.3
128.06235	2.0
129.07018	10.0
130.07791	1.1
131.08568	49.1
133.06491	4.3
133.10123	17.2
135.08066	8.8
135.11638	1.9
137.09610	1.8
141.07021	3.2
143.08551	4.4
145.10121	20.7
147.08035	4.3
147.11690	3.7
149.09615	3.9
149.13120	1.3
151.11156	1.0
155.08543	5.8
156.09346	1.3
157.10088	1.3
159.08011	3.2
159.11678	7.2
161.13383	1.8
169.10110	5.5
171.11673	9.1
173.09634	2.3
173.13251	15.1
175.11205	1.5
177.09181	1.3
187.11191	3.3
187.14796	9.7
189.12729	1.4
189.16434	1.3
191.10576	1.0
191.14346	2.6
197.13255	10.8
205.15863	4.0
212.31258	1.0
215.14362	11.2
215.17894	8.9
218.07280	1.4
229.07388	1.0
233.15366	91.2
233.18773	10.7
234.15578	1.8
251.09529	3.3
253.81587	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1497
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
51.14751	0.5
55.05497	2.3
56.05033	18.9
56.96564	3.5
57.03429	3.0
58.06606	3.4
58.99583	1.3
60.04516	1.7
65.90620	0.7
67.05507	0.7
69.07073	1.5
70.06596	2.9
71.04991	0.9
72.04526	0.7
72.08155	9.7
72.93787	0.7
74.06080	100.0
75.04502	0.8
76.02224	4.7
77.25027	0.5
79.05508	0.8
79.73763	0.6
81.07016	0.8
83.06087	1.2
84.04504	9.8
84.08147	11.7
85.02896	1.1
85.07691	0.6
86.06045	0.8
86.09704	26.8
86.99074	0.8
90.94791	0.6
91.05508	1.0
95.08612	0.8
98.09711	2.0
98.37897	0.6
98.97581	1.1
99.04470	1.5
101.07175	2.3
104.10744	4.1
105.07033	1.3
107.04958	11.2
114.05532	0.7
115.08647	0.6
116.07087	1.8
117.05471	0.6
120.08084	1.5
121.10223	0.6
125.07122	0.6
127.12286	1.1
129.10237	1.0
130.05023	2.3
132.10202	17.2
132.11169	1.0
134.08133	4.3
134.99722	1.3
139.06152	0.8
142.04984	0.6
142.12282	1.4
143.11786	0.8
145.06500	0.7
150.96889	1.4
165.00760	0.9
169.13382	0.8
187.05420	1.0
187.14415	8.7
190.98712	1.5
208.99730	0.9
215.04897	0.7
215.13907	3.2
216.12408	1.3
227.14539	0.6
233.06152	1.2
233.09830	1.1
233.12347	1.3
233.14731	5.7
233.19046	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1534
Annotation	Oculatol
Peak:m/z	Relative Intensity
53.03943	0.8
55.01857	1.2
55.05502	3.1
56.05013	1.3
56.96545	2.0
57.03418	0.8
57.07068	1.4
59.04990	0.9
59.06112	0.7
65.03940	1.1
67.05494	8.2
69.03416	5.5
69.07065	3.4
69.07404	0.7
70.76600	0.6
71.04984	1.4
71.59579	1.0
72.08175	0.7
72.93767	0.8
74.06057	0.8
75.54697	0.6
77.03962	0.7
79.05476	8.2
81.03403	0.8
81.07038	6.8
83.04958	1.1
83.08587	0.7
84.08118	1.8
85.06514	1.9
86.78616	0.5
88.07602	1.9
89.07150	1.7
90.94824	0.7
91.04953	1.1
91.05474	12.4
91.48421	0.6
93.03368	0.8
93.07036	7.5
95.04963	13.8
95.08602	4.2
97.06497	1.0
98.09702	0.9
98.97543	0.9
99.04398	1.0
103.05445	1.3
103.08764	1.1
105.07018	13.9
107.04955	6.5
107.08590	8.1
108.05253	1.2
108.95879	0.9
109.06485	4.7
109.10175	1.6
111.08028	0.8
115.05425	1.5
116.04499	0.6
116.06209	0.9
117.07005	6.4
118.08629	0.7
119.04929	7.3
119.08571	12.2
121.02892	1.2
121.06485	12.1
121.09762	4.3
123.08035	1.5
125.09619	0.7
128.06172	1.4
129.07048	3.8
130.07756	2.1
131.04866	0.9
131.08553	15.8
131.97430	1.5
133.06465	2.9
133.10112	6.0
134.99591	1.3
135.07091	0.6
135.08028	3.4
135.11630	1.3
137.05951	1.3
141.06947	2.3
142.07758	1.1
143.08531	4.4
144.05666	1.1
144.09306	1.3
145.06464	3.5
145.10112	21.3
147.07996	1.6
147.11684	4.3
149.05965	0.7
149.09627	7.2
149.13132	0.7
149.96162	0.9
150.19402	0.6
150.96899	1.2
153.06935	0.7
154.07730	1.1
155.06100	0.6
155.08531	2.6
156.09346	2.2
157.10114	5.0
157.16980	1.7
158.07205	1.3
158.10918	1.3
159.06833	0.9
159.08049	13.7
159.11665	8.3
161.05956	0.8
161.09595	1.4
161.13226	1.4
163.11172	2.5
167.08565	2.4
167.97197	1.0
169.10104	4.5
171.11662	3.7
172.08907	0.9
172.12427	1.4
173.05820	0.8
173.09613	12.2
173.13255	7.2
174.10423	0.7
175.07491	0.7
175.11194	1.7
175.14836	0.9
177.05402	0.9
177.09093	2.0
182.10855	4.2
185.09621	1.9
186.10416	1.0
186.18607	1.2
187.07568	0.9
187.11174	9.2
187.14777	7.6
189.12659	3.5
190.98669	1.9
191.03386	10.8
191.10619	1.2
191.14191	3.5
192.58501	0.7
197.09634	2.1
197.13239	13.6
200.11946	2.4
205.08556	1.0
205.12253	1.4
215.10840	6.8
215.14288	28.9
215.17694	1.0
216.14653	1.2
233.05844	1.4
233.07925	5.1
233.11993	6.0
233.15334	100.0
233.19145	5.0
233.22034	7.5
234.15575	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1173
Annotation	Drupanin
Peak:m/z	Relative Intensity
51.02374	0.9
53.03930	2.8
55.01869	8.6
55.05510	6.3
56.96557	3.4
57.03430	1.6
57.07065	1.8
59.04991	0.9
63.58409	0.9
65.03934	2.5
67.05495	9.4
69.03436	5.9
69.07063	5.7
70.04071	1.1
71.04990	4.6
71.60291	1.7
72.93787	1.0
77.03903	1.3
79.05490	20.7
81.03399	3.4
81.07047	9.2
83.04990	4.8
83.08616	1.4
84.08143	1.9
85.06520	1.1
91.05476	22.3
93.07042	22.1
95.04971	14.4
95.08607	6.4
97.06535	3.9
98.09695	0.9
98.97569	1.8
99.04436	3.8
103.03144	1.4
103.05484	4.2
105.04500	1.2
105.07028	36.5
105.90793	0.8
107.04951	16.9
107.08589	7.8
109.06519	3.7
109.10150	2.9
111.08086	1.1
115.05457	4.0
116.06255	1.7
116.98629	1.6
117.07005	14.2
119.04955	4.9
119.08576	13.6
121.02984	1.2
121.06502	38.4
121.10146	3.6
123.04398	1.1
123.08095	1.0
123.11717	1.3
128.06207	4.6
129.07019	10.6
130.06888	1.0
130.07791	8.1
131.04893	3.6
131.08574	20.9
133.06502	8.8
133.10117	7.5
134.99670	2.3
135.04425	2.0
135.08041	2.5
135.11676	2.2
137.05913	1.5
139.07516	1.7
141.06963	7.3
142.07742	1.7
143.08572	7.8
144.05670	2.5
144.09364	3.8
145.06488	14.7
145.10120	41.4
146.06039	0.9
146.07217	3.0
147.08046	3.2
147.11694	2.4
149.09578	1.7
150.96906	2.0
151.07617	1.4
153.07008	3.5
154.07761	9.0
155.08548	11.9
156.09360	1.0
157.06477	2.3
157.10143	2.8
158.07278	20.5
158.97684	1.6
159.08044	22.4
159.11679	21.9
160.07693	1.0
160.08847	6.6
160.12036	1.1
160.97359	6.1
161.09592	3.3
161.13226	1.2
163.07565	1.5
163.11240	1.3
167.08560	2.0
167.97153	1.6
169.10094	13.0
171.07993	3.9
171.11688	1.9
172.08817	10.2
173.09622	100.0
173.13251	3.3
174.10023	2.3
175.07547	1.9
175.11115	1.3
175.14856	0.9
177.00726	1.2
177.05438	1.2
177.09047	1.5
177.12749	0.8
178.07750	1.7
179.08569	6.2
181.06493	2.4
182.07214	5.1
187.11185	54.0
187.14781	3.3
189.12715	1.4
190.98773	1.8
191.03453	5.5
191.10638	2.2
191.14346	1.4
197.09621	14.7
197.13269	1.2
200.08290	1.3
205.08638	1.4
205.12241	2.9
208.99814	0.9
215.07208	1.6
215.10666	40.3
215.17882	5.8
233.11716	71.4
233.15218	13.8
233.18848	6.7
233.22552	0.9
234.12035	1.6
243.00693	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.117
Annotation	Drupanin
Peak:m/z	Relative Intensity
50.76823	0.5
53.03934	1.4
55.01858	3.0
55.05509	1.7
56.96563	1.7
65.03926	1.3
67.05498	5.7
68.99780	0.9
69.03422	4.2
69.07069	2.5
71.04987	2.6
71.59994	0.6
77.89811	0.5
79.05486	11.7
81.03426	0.8
81.07044	5.7
83.04977	1.7
84.08135	1.2
85.06586	0.7
87.00843	1.0
89.03912	0.7
91.05472	13.7
93.07034	9.8
95.04960	7.3
95.08596	2.0
97.06497	1.0
98.97587	1.1
99.04460	3.6
103.05441	2.1
105.07014	23.8
107.04945	12.4
107.08578	3.7
109.02849	0.9
109.06503	3.8
115.05453	2.0
116.06283	0.9
116.98651	1.3
117.07009	13.6
119.04928	6.6
119.08574	7.8
121.06483	10.7
121.07335	0.5
121.10136	2.1
121.87725	0.6
123.04425	0.9
123.08049	0.8
125.05956	0.9
127.07583	0.9
128.06216	1.7
129.07007	4.2
130.07758	7.0
131.04910	2.0
131.08560	11.1
133.02806	1.3
133.06458	1.7
133.10083	2.9
134.99628	1.2
135.04395	1.9
135.08047	3.3
135.11670	1.3
137.05928	4.3
139.07550	0.6
141.06935	3.4
143.08519	5.6
144.05667	1.3
144.09312	3.5
145.06471	7.3
145.10103	45.3
146.10526	0.8
147.08031	1.7
147.11682	5.8
148.08818	0.7
149.05965	1.2
149.09674	0.7
150.96875	1.3
151.03810	0.8
151.07494	0.9
153.00699	0.6
153.07065	0.7
154.07745	3.4
155.08530	2.1
157.06491	0.7
157.10057	0.6
158.07248	4.4
159.04404	0.8
159.08015	4.8
159.11673	14.1
161.05957	1.0
161.09560	1.6
163.07567	2.0
163.11160	22.0
167.08386	0.7
167.97127	0.8
169.06375	0.7
169.10078	5.0
171.08092	1.4
171.11633	2.2
172.08826	2.6
173.09602	100.0
174.09932	2.1
175.07533	1.8
176.07018	4.7
177.00740	0.7
177.05388	1.6
177.12621	0.7
179.03325	1.8
179.08537	1.7
181.06378	0.7
182.07254	1.7
185.05978	1.3
187.07542	1.1
187.11159	26.4
188.11502	0.7
189.12692	2.9
190.08536	1.2
191.03378	24.0
191.10683	4.5
191.97194	0.7
192.03784	0.7
197.05972	0.9
197.09616	5.7
204.04182	0.6
204.10228	2.0
205.12192	4.4
215.07138	1.6
215.10646	21.2
216.11209	0.6
233.08049	6.2
233.11687	23.4
233.15152	2.8
233.18947	1.2
234.12421	0.9
234.14853	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	233.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04856	0.5
55.01872	0.8
55.05504	0.6
56.05031	0.7
56.55322	0.4
56.96340	0.4
56.96569	6.3
57.03430	1.1
58.06594	0.6
58.99607	0.5
60.05642	1.1
61.02959	0.6
69.03411	1.5
69.04546	0.9
69.07062	0.7
70.06600	5.8
71.04967	1.1
71.06920	1.1
71.30489	0.9
72.08158	5.7
74.06079	2.4
77.00902	0.8
80.01384	1.7
81.03385	0.6
84.04494	1.4
84.08144	8.3
84.96025	0.6
85.02890	1.1
86.09707	6.6
91.00616	0.5
96.86218	0.5
97.02961	0.9
97.04013	18.4
98.09686	2.4
98.97575	5.1
101.00904	1.0
103.02442	1.0
104.07124	0.5
107.04958	3.9
110.07150	0.9
112.11239	1.3
116.98631	6.9
119.01926	4.4
121.01690	0.5
121.03497	1.1
122.03542	0.8
127.06168	0.7
129.10240	1.0
130.08681	0.6
131.01924	1.1
133.01707	0.8
133.03462	1.4
134.99648	5.5
135.01340	0.9
137.02942	0.7
139.06149	100.0
140.06503	0.7
143.01866	1.5
145.13387	0.7
146.99649	1.0
149.03026	0.4
150.99158	1.7
153.00676	1.2
153.02448	0.7
161.02954	4.3
165.00705	0.6
169.00211	0.9
173.02989	0.9
174.99274	0.7
190.98674	0.6
191.02319	0.8
191.04056	1.5
192.98575	0.5
193.00093	2.3
198.11250	1.2
208.99794	0.8
215.13911	0.8
216.12166	0.5
223.04860	0.9
233.05188	0.6
233.10345	17.6
233.14963	0.6
233.23399	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01913	0.2
53.03952	0.2
54.03475	0.4
55.01868	1.0
55.05511	0.9
56.05035	1.1
56.96564	6.6
57.03438	1.0
57.07112	0.1
58.06597	0.4
58.99611	0.1
58.99871	0.6
60.04539	0.4
60.05646	1.5
61.01156	0.3
61.02932	0.4
64.35406	0.1
67.05504	0.3
68.05044	0.3
69.03433	2.1
69.04543	0.9
69.07068	0.7
69.68995	0.8
70.02959	0.3
70.03748	0.2
70.06591	6.2
71.04981	0.7
71.06936	0.6
71.95258	0.2
72.04515	0.2
72.08154	6.8
73.02914	0.7
73.08474	0.2
74.06078	1.4
74.97599	0.9
76.02238	0.2
76.07661	0.2
77.00906	2.0
80.01376	2.3
80.05010	0.3
81.03416	0.8
82.06591	0.2
82.99866	0.2
83.04964	0.3
83.06113	0.3
84.04504	3.1
84.08144	4.9
84.96046	0.4
85.02904	2.1
85.04045	0.2
85.08466	0.2
86.00654	0.2
86.06077	1.5
86.09703	7.6
87.04459	1.4
88.03985	0.3
89.00900	0.3
91.05485	0.2
92.98624	0.2
93.04523	0.1
95.01946	1.1
96.04521	0.2
97.02910	1.3
97.04013	21.4
98.06087	0.3
98.09700	0.4
98.96936	0.2
98.97578	4.5
99.04462	0.6
99.09200	0.2
100.07619	0.4
100.99141	0.2
101.00871	1.3
101.02379	0.2
102.00935	0.2
102.05547	0.5
103.00581	0.3
103.02437	2.9
103.03924	0.2
104.05354	0.4
104.07108	1.7
107.04943	2.7
109.02872	0.3
110.06061	0.4
110.07162	0.6
110.97549	0.4
111.04439	0.1
112.08722	0.2
112.11237	0.2
113.00893	0.2
113.03464	0.3
114.09152	0.3
115.00687	0.4
115.02425	0.6
115.03855	0.1
115.05085	0.2
116.07073	0.3
116.98616	6.6
117.03960	0.2
119.00184	0.5
119.01918	8.0
120.02003	1.0
120.06556	0.2
121.01665	1.4
121.02402	0.2
121.02572	0.2
121.03475	3.0
122.03505	1.2
122.07084	0.2
123.03237	0.2
124.07547	0.3
126.03878	0.1
126.05457	0.2
127.03906	0.5
127.06141	0.5
127.08663	0.2
128.07076	0.4
128.98589	0.6
129.10219	0.6
130.04991	1.0
130.08630	0.6
131.01900	3.0
131.03462	0.1
132.02034	0.2
132.10208	0.4
132.98062	0.4
133.01770	1.2
133.03462	3.8
134.99663	9.1
135.01218	1.2
135.03201	0.1
135.05061	0.3
136.07552	0.4
137.02954	2.4
138.03003	0.4
139.06142	100.0
140.00156	0.2
140.04433	0.1
140.06531	0.7
142.03477	0.4
142.04950	0.1
143.01895	2.9
143.08168	0.2
144.01999	0.2
144.04967	0.2
144.98109	0.2
145.01627	0.4
145.03459	0.8
145.05165	0.2
146.99654	0.9
147.01375	0.3
147.03227	0.3
147.05029	0.3
149.01166	0.3
149.02945	1.6
149.04785	0.4
149.06601	0.2
150.99144	1.9
151.02664	0.3
151.04495	1.2
152.07037	0.3
153.00679	2.6
153.02420	1.8
154.08681	0.2
155.01848	0.4
155.08142	0.2
156.02007	0.3
156.05115	0.2
156.06424	0.3
157.03465	0.4
158.01195	0.4
158.03743	0.2
158.99707	0.2
159.03110	0.3
161.02951	8.1
162.03073	0.3
162.99104	0.5
163.02769	0.7
163.04471	0.2
165.00661	0.6
169.00198	1.4
170.08105	0.8
170.99695	0.2
171.01292	0.3
171.04973	0.2
171.11308	0.2
172.97520	0.2
173.02925	1.8
173.04732	0.9
174.03003	0.3
174.07515	0.2
174.99200	0.9
175.00638	0.2
175.02728	0.7
175.04477	0.5
175.11871	0.2
176.02402	0.2
177.00713	0.2
177.02293	0.2
179.02409	0.2
179.03979	1.6
183.01723	0.2
184.04564	0.7
185.03018	0.8
185.04539	0.2
186.03049	0.2
187.00874	0.3
187.02698	0.5
189.00800	0.3
189.02367	1.0
189.03981	0.3
190.98669	0.7
191.02205	0.6
191.03960	2.9
191.05774	0.6
193.00229	2.9
193.01913	0.4
197.00972	0.2
197.02843	0.2
197.09155	0.2
198.07632	0.3
198.11247	1.1
201.02393	0.2
203.02187	0.2
203.03979	0.4
204.04103	0.2
205.01788	0.3
205.03653	0.2
208.99644	0.7
209.03255	0.2
211.01277	0.2
214.05597	0.2
215.04910	0.2
215.10304	0.3
215.13867	0.6
216.01941	0.3
216.08673	0.8
216.12114	0.5
218.05766	0.2
219.01653	0.2
221.05109	0.2
223.04637	0.2
233.01347	0.4
233.06564	6.0
233.10255	14.8
233.14819	0.5
233.18629	0.4
234.10303	0.2
237.02769	0.3
251.02298	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27356	1.2
56.05014	1.4
56.96561	61.5
58.99854	4.5
61.02903	1.9
69.03416	3.1
70.05540	2.7
70.05907	7.3
70.06582	3.1
71.95242	1.7
72.08147	6.6
73.02921	1.5
74.97606	7.6
77.00900	14.8
84.04491	11.8
84.08125	3.3
84.96001	1.8
85.02910	3.5
86.06059	7.0
86.09714	1.4
87.04470	6.8
87.06395	2.0
89.00880	2.1
92.98682	1.7
95.01946	8.5
97.02876	1.7
98.97575	72.7
99.21593	1.4
100.99146	1.5
101.00894	5.0
103.02448	18.9
104.07111	7.1
107.04932	2.4
110.97511	1.8
113.00894	2.2
115.00662	5.3
115.02407	4.9
116.98614	97.0
119.01908	30.5
120.02009	1.7
121.01660	11.5
121.03477	17.6
128.98589	5.3
130.04970	3.3
131.01897	15.5
132.01875	1.6
132.98062	3.4
133.01758	10.1
133.03458	22.7
134.99654	100.0
135.01295	23.1
135.03105	1.7
137.02960	9.3
139.02708	6.5
140.00174	1.8
143.01860	5.9
144.98010	1.6
145.03391	1.5
146.99652	5.8
147.01382	3.3
147.03288	2.5
147.05038	1.7
147.82085	1.3
149.02927	9.6
150.99124	20.2
151.02783	3.5
151.04492	10.0
153.00697	19.2
153.02440	29.0
157.03435	1.6
161.01620	2.7
161.02948	22.4
162.99109	2.7
163.02731	3.0
165.00754	2.8
165.04297	1.7
169.00212	14.0
170.08087	3.2
170.99666	1.9
173.02962	9.8
174.99132	12.7
175.02779	6.1
175.04480	3.2
177.00691	2.0
177.02563	2.3
179.02257	5.3
179.03989	8.2
183.01598	1.6
187.00989	1.6
187.02789	2.0
187.04427	1.6
189.00722	1.8
189.02434	6.0
190.98630	6.4
191.02231	6.9
191.04018	17.2
193.00230	45.3
193.01927	7.1
193.03746	3.3
193.05591	1.7
197.02979	2.9
201.02388	2.6
205.02014	1.6
208.99696	7.2
209.03340	3.2
210.06607	1.4
211.01263	4.5
216.08676	5.0
233.06448	35.2
233.11292	1.8
237.02675	1.7
251.04257	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	233.033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73733	0.7
54.18179	0.6
55.05496	0.8
56.96562	55.9
58.99575	0.7
61.02903	0.9
69.03403	1.2
70.98090	0.8
71.95251	1.9
72.08141	2.9
73.02908	1.8
74.06066	0.8
74.97603	9.0
77.00892	2.8
84.04504	1.5
84.08138	11.3
84.96025	1.8
85.02879	1.6
86.06035	1.1
86.97631	0.7
87.04413	0.8
88.99159	1.0
89.71393	0.7
92.98649	1.4
95.01884	1.3
97.02901	0.7
98.09695	2.2
98.97577	79.5
100.99158	1.3
101.00843	3.7
103.02448	4.7
104.07107	1.5
107.04950	12.8
110.97576	1.4
111.06981	0.8
114.97037	1.2
115.00680	6.0
115.02431	0.9
116.07098	1.3
116.98610	100.0
119.00161	1.3
119.01919	14.2
121.01654	1.7
121.03483	3.3
121.26967	0.8
127.00773	0.9
127.12312	1.9
128.98593	4.7
129.02306	0.8
130.04997	0.9
130.08676	0.7
131.01892	2.8
132.95905	1.1
132.98087	5.6
133.01750	11.8
133.03445	11.7
133.78136	0.7
134.99648	93.8
135.01361	4.3
137.02948	3.8
139.02702	1.4
139.06125	6.4
140.00172	1.8
143.00185	1.0
143.01901	6.8
145.01662	1.5
145.03490	0.8
146.99651	4.3
147.03288	1.7
149.01175	1.9
149.02968	1.4
150.96864	1.0
150.99127	25.7
151.02754	3.7
151.04507	6.5
152.98727	0.8
153.00699	18.4
153.02475	4.1
158.01266	3.6
158.99631	1.3
159.03201	1.3
161.01233	2.7
161.02957	17.2
162.99127	2.1
163.02800	2.7
165.00726	2.1
167.02184	1.4
169.00185	13.0
170.08127	0.7
170.45874	0.8
170.99680	1.5
173.02992	5.2
174.99136	16.4
175.02797	4.7
175.04292	1.1
176.02380	0.9
177.00706	2.0
179.03914	0.9
183.01881	1.0
184.04626	1.3
185.02989	1.2
187.02699	1.3
187.04527	3.1
190.98601	2.6
191.02264	6.0
191.04022	9.4
191.05618	1.3
192.01830	0.9
193.00204	51.0
201.02551	1.0
203.04103	0.9
207.01897	0.9
208.99680	2.6
209.03358	4.0
211.01253	6.4
215.03857	0.8
216.01851	2.3
219.01660	1.7
221.03122	1.0
232.90234	0.8
233.05035	6.1
233.06415	3.0
233.16672	4.8
237.02818	3.3
251.04384	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0418
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44032	2.4
56.96287	5.0
56.96561	70.5
61.02931	2.9
61.49674	2.4
63.85506	2.3
69.03426	4.5
71.59480	3.9
71.95271	2.5
72.08141	9.9
73.02899	3.7
74.06059	2.4
74.97594	8.5
77.00903	3.9
82.08471	2.5
84.04517	6.8
84.08125	20.5
86.06041	4.4
87.04455	4.2
94.93023	3.3
97.04014	4.0
98.09675	4.8
98.96925	4.6
98.97573	94.2
100.99129	6.1
101.00255	2.6
101.00847	12.8
102.06660	3.3
103.02440	9.3
107.04955	22.6
110.97552	3.2
115.00693	7.3
115.02413	4.5
116.98612	100.0
116.99444	5.2
119.01914	46.3
121.01664	4.1
121.03497	6.7
127.12260	3.6
128.98604	7.1
131.01912	7.5
132.98070	4.5
133.00873	2.5
133.01756	11.6
133.03442	34.4
134.99651	87.1
137.02905	12.2
139.06113	17.1
143.01924	18.8
144.98079	2.6
145.01706	2.5
146.99651	9.1
149.02936	3.1
150.99109	25.1
151.04468	15.4
153.00659	15.6
155.01804	3.6
161.02950	45.7
162.64081	2.6
162.99162	4.0
165.00731	4.9
169.00198	11.5
169.48967	2.5
173.02942	15.4
174.99127	15.5
175.02747	5.1
177.00717	3.1
187.04588	6.3
190.98601	5.4
191.02299	6.7
191.04015	27.1
193.00204	50.5
193.01889	4.8
208.99663	10.1
209.03409	2.9
211.01244	7.4
232.90096	8.6
233.05083	18.3
233.10130	2.7
233.16434	7.9
251.06250	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	233.0333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.1
56.05024	1.2
56.96558	54.7
58.99854	3.5
60.05645	1.8
61.02924	2.3
69.03419	4.9
70.06577	4.5
70.98116	1.2
70.99833	1.5
71.39494	1.7
71.95296	1.3
72.08142	1.7
73.02929	1.3
74.97590	7.4
77.00894	7.8
78.40392	1.2
80.01364	2.1
84.04495	10.5
84.08146	6.0
84.96011	4.4
85.02884	3.4
86.06059	7.2
86.09688	3.1
86.97646	2.1
87.04465	8.5
89.00882	2.3
92.98616	1.1
95.01946	4.5
97.02926	1.4
97.04003	13.8
98.97575	93.3
101.00877	7.4
102.05495	1.0
103.02434	3.1
104.07087	9.8
107.04938	3.1
110.97561	3.2
114.97034	1.3
115.00706	5.5
115.02404	2.5
116.98607	100.0
119.01907	39.6
121.01671	5.0
121.03466	2.6
124.07575	1.7
128.07129	1.1
128.98602	5.9
130.05009	2.2
131.01875	3.4
132.98087	6.0
133.01768	12.2
133.03445	31.0
134.99649	88.4
135.01199	11.1
135.03198	1.7
135.04984	1.5
137.02921	10.8
139.02669	1.9
139.06134	83.2
140.00224	1.5
142.03377	1.1
143.00101	1.2
143.01883	4.1
145.01715	2.2
145.03467	1.3
146.99614	6.7
147.01347	1.3
147.03279	1.2
149.01282	1.4
149.02931	3.2
150.99127	19.4
151.02763	3.0
151.04500	13.7
152.98593	2.2
153.00697	17.5
153.02431	13.5
157.03450	1.2
158.01295	3.4
158.99699	2.0
161.01385	1.9
161.02946	16.5
161.04343	1.6
163.02788	2.4
165.00679	1.7
169.00204	11.6
170.08124	1.7
170.99620	4.0
173.02936	11.8
174.99112	10.7
175.02789	5.3
175.04350	1.6
177.00691	3.0
177.04250	1.6
179.02238	1.3
179.04008	2.0
181.26021	1.1
187.02777	1.4
187.10800	1.1
189.00623	1.7
189.02289	1.3
189.04315	1.4
190.98618	3.3
191.02242	7.0
191.04008	29.6
191.05754	1.5
193.00223	37.9
193.01967	4.3
193.03781	2.0
198.07639	1.4
208.99683	1.4
209.03369	3.7
211.01308	5.1
216.08621	5.1
219.01669	1.5
232.99701	1.4
233.06667	16.1
233.10085	12.7
233.14935	1.1
233.18637	1.7
237.02798	7.7
251.04356	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	232.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24542	0.7
56.96564	1.5
57.07068	1.9
69.03412	1.3
70.04074	100.0
70.06577	0.8
71.08624	1.3
81.03431	1.2
85.02894	4.2
88.07645	0.9
97.02909	2.1
98.97587	2.3
106.08677	1.2
107.04980	1.1
116.98649	2.0
127.03927	1.0
128.98624	1.4
134.99693	0.9
140.39131	0.6
146.97466	0.8
157.06348	0.9
158.97670	0.9
162.97046	5.8
170.99602	0.6
185.03911	1.1
186.42439	0.7
232.00386	2.2
249.02956	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65012	3.3
54.53950	3.2
56.96290	5.2
56.96563	70.4
58.51391	3.3
60.04524	5.9
60.05646	7.2
63.61789	3.4
68.04980	4.0
69.03437	4.2
69.07069	6.8
70.05251	10.3
70.05663	8.5
70.06587	100.0
72.04512	4.0
72.08149	14.6
73.02926	4.0
74.97589	9.3
81.03420	8.3
83.44907	3.8
84.04499	16.1
84.08135	20.2
85.02906	13.6
86.09700	53.4
87.04453	5.7
90.94833	3.7
95.04948	5.1
95.06097	4.6
97.02886	5.2
97.04018	7.6
97.06522	7.3
98.06027	4.6
98.12939	3.1
98.97571	57.8
100.97151	3.8
101.00833	4.2
107.04967	10.6
110.05997	5.5
112.03970	4.4
116.07047	4.8
116.98615	65.8
118.03520	3.9
118.93719	3.2
118.98241	9.4
119.01920	53.8
120.01972	8.8
125.52752	3.3
126.05441	5.5
128.03392	3.9
128.07069	5.2
130.03516	4.3
130.61154	3.4
131.01907	4.3
133.01744	8.0
134.99657	55.9
136.99228	5.5
137.02908	21.9
138.03041	8.2
139.06146	41.9
142.12231	7.9
144.06641	3.8
144.10109	3.5
145.01711	3.4
146.99648	7.1
150.96776	4.1
150.99193	16.9
152.05580	4.2
153.00691	16.7
160.07585	4.4
161.01082	3.5
165.00726	5.2
169.00177	11.9
174.99161	10.6
178.02592	5.6
186.09761	27.0
186.11172	5.0
190.98674	10.3
191.02271	5.0
193.00204	40.3
204.10809	15.9
208.99702	7.6
210.10042	12.8
214.09196	23.3
231.39714	3.5
232.05106	3.8
232.08020	5.7
232.10181	78.8
232.14116	8.0
232.16878	3.7
233.10371	7.8
250.08621	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	232.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	17.6
56.05017	21.7
60.98713	7.5
63.79370	7.9
65.07077	7.9
67.05501	35.0
68.05024	19.7
69.72682	8.3
70.06596	74.4
71.04987	35.7
71.57470	10.6
72.08150	18.4
74.02438	100.0
74.06075	32.6
79.05468	28.0
80.05013	42.8
81.03423	15.8
82.06581	17.6
83.01298	10.6
84.04514	19.8
84.08156	60.4
85.02921	16.7
85.08456	13.6
86.09702	15.6
87.56117	8.3
91.05489	10.1
94.06582	46.7
95.04951	76.4
96.04472	19.1
97.02878	12.0
104.04966	11.2
105.07041	9.6
106.06534	45.4
107.04949	40.7
108.04478	19.9
110.06025	34.2
112.07629	17.8
116.07091	10.5
120.08106	13.2
122.06038	89.4
123.04425	69.2
124.03928	8.8
124.05222	14.2
124.07591	14.4
126.09148	14.8
127.09548	20.8
132.04437	17.0
133.02841	25.3
134.06023	35.9
135.04454	15.0
138.22392	9.7
140.07089	13.3
142.08672	16.3
143.31810	8.5
150.05484	52.7
151.03911	18.1
152.07062	32.6
153.59399	7.4
155.05762	30.8
156.06544	10.7
159.06544	11.1
168.06581	90.9
172.09674	12.2
186.07576	16.9
196.06036	30.9
197.04407	11.4
197.07011	10.8
214.07072	63.4
214.10738	30.4
232.08109	53.5
232.11765	94.1
232.13864	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1704
Annotation	H-Val-Ile-OH
Peak:m/z	Relative Intensity
50.56601	0.3
53.03942	0.6
55.05513	11.5
55.67216	0.2
56.05030	1.0
56.96552	0.4
57.05810	1.1
69.03441	0.3
69.07069	0.5
70.06596	2.4
71.02819	0.3
71.33419	0.5
72.08156	100.0
73.08490	0.8
84.01072	0.3
84.04517	0.8
84.08140	2.0
85.02885	0.3
86.00674	0.4
86.09707	7.2
86.80926	0.3
91.05495	0.3
98.09693	0.4
98.97588	0.3
105.07010	0.3
107.04995	0.3
112.11290	0.4
115.05508	0.3
116.07120	0.4
116.98633	0.6
118.07511	0.3
129.10280	0.7
130.06567	0.4
132.10207	3.1
134.99646	0.6
146.05974	0.3
150.96841	0.3
157.13409	0.3
168.08029	0.2
171.09097	0.4
185.03911	0.4
185.16541	0.6
188.31465	0.3
213.20808	0.6
231.04446	0.3
231.11511	0.5
231.13660	0.3
231.17061	1.5
232.11795	0.6
245.98784	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69376	0.7
53.03938	2.5
55.01877	3.2
55.05510	31.2
56.96585	1.1
57.03436	27.8
57.07079	2.5
58.06599	0.9
59.05002	1.7
67.05502	14.9
68.05827	0.7
69.03423	5.7
69.07067	100.0
69.47701	4.9
69.48106	1.6
70.06595	2.2
70.07406	1.1
71.04998	4.8
72.08161	1.8
73.06554	2.7
73.78776	0.8
79.05491	18.2
81.03428	1.6
81.07058	23.9
83.04982	8.3
83.08624	3.5
84.08139	1.5
85.02892	1.2
86.06090	0.8
87.04492	1.3
91.05495	3.3
93.07046	33.5
95.04993	1.5
95.08601	17.3
95.09167	1.4
96.81099	0.7
97.02892	0.9
97.06528	15.5
97.10164	18.7
99.04467	1.8
101.06043	1.9
103.05467	0.7
105.07047	2.2
109.10154	1.6
111.11697	6.8
112.11244	1.2
115.11295	1.2
116.98670	0.9
119.08628	0.8
121.10143	27.3
128.98515	0.9
131.08612	0.9
139.11182	23.9
139.12216	1.5
143.08650	0.9
146.99652	0.8
147.08067	0.8
157.07616	1.7
157.12218	1.7
159.11725	0.8
171.11639	1.1
173.13126	1.0
174.88152	0.9
231.08060	1.6
231.14005	1.5
231.15903	36.7
232.16171	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.159
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
53.03947	1.0
55.01873	2.9
55.05508	31.1
56.96554	1.3
57.03434	29.2
57.07077	3.2
59.05003	1.8
67.05502	12.2
69.03427	3.4
69.07066	100.0
70.06582	1.0
70.44092	2.1
71.04992	5.4
72.08154	1.2
73.06551	2.7
79.05491	18.7
81.03410	1.0
81.07056	21.8
83.04985	10.5
83.08615	2.8
85.06524	0.8
91.05487	2.3
93.07039	33.4
95.04975	1.2
95.08602	15.8
97.06525	16.9
97.10165	18.8
98.21408	0.9
99.04376	0.8
101.06009	2.6
105.07051	0.8
109.10149	0.7
111.11700	6.2
115.07558	0.8
115.11224	0.9
121.10139	30.7
131.08487	0.8
133.06429	0.7
139.11174	24.7
146.16962	0.7
157.12253	1.9
213.12581	0.7
226.01183	0.7
231.13997	1.4
231.15884	39.5
232.11613	0.7
232.16379	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02349	0.7
51.56894	0.6
51.80587	0.5
53.03942	14.7
55.01870	2.0
55.05503	8.4
56.96563	10.1
57.03429	5.0
57.07068	1.7
58.90468	0.5
61.02913	2.4
67.05505	2.2
68.99792	3.2
69.03423	100.0
69.07062	32.4
69.55885	3.8
69.56293	0.8
70.07408	1.0
70.51043	0.5
71.01350	0.7
71.04987	16.8
71.05360	1.1
72.08141	1.7
72.93782	0.7
73.02914	1.0
79.05489	1.2
81.03413	43.2
81.07054	1.4
83.01348	1.2
83.04982	0.8
83.08636	1.6
84.08160	0.9
84.96023	1.5
85.02897	44.4
86.09701	0.6
87.00824	19.1
87.01339	1.3
87.04464	0.8
91.05479	4.2
93.07047	2.0
95.04982	1.8
95.08650	0.6
97.02885	14.5
98.20741	1.3
98.97578	17.5
99.04445	34.2
103.05486	0.8
105.01850	3.2
105.07050	2.7
107.04949	2.7
107.08622	0.7
108.05232	0.7
109.02872	17.0
109.10165	1.0
110.97560	5.4
115.05436	1.1
116.98608	17.5
117.07003	1.0
119.08596	1.6
120.08123	1.8
121.01636	0.7
127.03910	24.4
128.98590	13.3
129.06960	1.4
130.06487	1.1
131.00195	1.1
131.08548	1.1
133.06422	0.6
134.99657	14.5
135.00648	1.0
137.05911	0.6
139.05724	0.8
139.64153	0.6
141.64119	0.6
143.00208	1.4
143.04904	1.1
143.08580	1.0
144.95807	0.7
145.04987	2.4
145.10112	0.9
146.97424	0.9
146.99638	14.9
147.08099	0.9
147.11693	0.8
148.02815	1.1
149.01196	0.8
153.00714	2.4
157.07607	1.8
157.10141	1.6
158.99696	2.5
159.11725	0.7
160.97479	0.7
161.01207	6.3
161.05998	1.0
161.97694	0.8
162.96909	1.5
165.00722	2.3
165.07016	1.1
170.01350	1.2
170.99649	5.9
173.01247	1.9
175.07568	0.9
176.03386	1.3
177.00668	3.6
179.02271	1.2
185.03835	1.2
185.07233	1.5
188.08852	0.8
189.00671	7.4
189.05479	7.2
189.09146	0.9
191.02280	0.9
195.08467	0.8
196.54759	0.9
201.00755	2.0
203.08380	0.7
203.10797	0.8
212.02336	0.6
213.03918	6.1
213.09290	0.8
213.12798	0.7
213.16510	0.9
217.58438	1.5
219.01755	0.9
231.01691	2.8
231.04697	5.0
231.10315	2.6
231.13879	2.4
231.17519	2.4
249.02800	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1379
Annotation	Volvatellin
Peak:m/z	Relative Intensity
53.03920	4.5
55.01871	6.1
55.05497	8.4
56.96561	2.7
57.03043	2.6
57.07048	3.1
63.57121	2.2
65.03936	2.9
67.05508	19.0
69.03412	4.3
69.07050	9.2
70.06599	3.4
71.59148	4.4
79.05499	23.8
80.08830	2.6
81.07064	38.1
83.08614	3.4
84.08139	4.2
85.06559	3.3
89.03914	6.5
91.04967	4.1
91.05480	48.2
93.07041	27.9
95.04974	9.2
95.08612	18.7
97.06535	4.9
103.05457	4.1
105.07030	57.0
107.04938	13.2
107.08585	15.6
109.02882	4.7
109.06541	3.5
109.10135	7.1
111.08053	3.5
115.05452	9.7
117.07013	27.5
119.04950	7.8
119.08582	31.3
121.06497	10.2
121.10108	6.7
123.08100	2.4
128.06209	20.1
129.07014	29.1
130.07777	5.7
131.04863	2.9
131.08582	45.8
132.09335	3.3
133.06476	18.0
133.10146	17.0
135.04362	2.8
135.07997	5.7
137.06000	3.9
141.06961	6.0
142.07773	18.1
143.07504	4.3
143.08560	62.3
145.02840	2.8
145.06494	6.8
145.10129	36.2
146.10860	3.7
147.04393	2.7
147.08035	19.2
147.11678	5.7
148.35646	3.2
149.05960	3.0
151.07529	7.7
155.08540	8.9
156.09297	7.6
157.06519	6.5
157.10135	40.4
159.08011	3.3
159.11652	24.2
160.01543	8.7
161.05965	8.3
161.09608	8.4
161.13229	7.4
165.07002	5.2
169.10072	3.6
170.10876	10.1
171.08031	14.3
171.11664	15.9
173.09676	15.4
175.03909	35.4
175.07556	23.7
175.11212	4.0
175.14871	4.0
180.09314	4.7
185.09680	3.9
185.13260	88.9
186.13759	2.9
187.14868	3.6
188.01123	12.5
189.09096	13.5
189.12732	11.0
195.11783	11.5
198.10371	3.5
203.03401	18.6
203.10640	4.9
203.14308	21.1
213.12735	35.8
213.16316	2.5
231.02843	37.8
231.10118	5.5
231.13785	100.0
231.17421	5.7
231.21063	7.0
236.62352	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.5
55.05506	10.1
56.05030	22.4
56.96569	2.2
57.07074	1.0
58.06585	0.7
67.05499	13.3
68.05019	0.7
69.03429	5.2
69.07072	5.4
70.06590	6.1
71.04981	3.2
71.06599	1.1
71.06937	0.8
73.07674	0.6
79.05488	7.5
81.03426	2.4
81.06573	1.2
81.07051	19.0
82.06607	1.0
82.07371	1.1
83.04971	1.5
83.08611	5.3
84.04501	1.9
84.08124	3.3
85.02913	1.9
85.06549	1.1
86.06064	1.7
86.09718	0.7
87.04475	1.0
91.05479	5.9
93.07048	6.2
95.04971	0.8
95.08592	3.6
96.08126	1.1
97.02885	2.4
97.06516	2.9
97.10160	4.7
98.06061	2.2
98.09666	0.7
98.97575	0.6
99.04438	0.8
100.11312	0.6
101.07132	1.8
105.07011	4.0
107.04949	3.9
107.08601	5.5
109.06513	1.2
109.10144	4.0
110.09669	0.7
110.10466	1.0
114.05519	0.7
117.07011	1.4
121.10128	2.0
123.11708	4.8
125.09628	2.5
127.03931	0.9
130.05002	0.8
131.08595	0.8
133.10117	4.9
135.08072	0.8
135.11664	1.2
147.11592	1.0
149.13264	3.4
150.12688	1.0
151.11177	2.2
153.09094	0.7
159.11691	1.4
168.13831	82.6
169.14124	1.3
176.14363	1.9
177.12756	1.3
186.14882	100.0
187.13321	1.2
187.15004	0.8
189.12714	1.2
193.00243	0.7
194.08107	1.2
194.15379	4.0
195.13800	1.6
212.16461	8.0
213.14836	6.3
227.70421	0.7
230.09262	1.3
230.15329	1.7
230.17474	4.1
230.19109	3.0
230.24814	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75486	0.4
51.02368	0.5
53.03694	1.0
53.03942	13.3
55.01865	2.6
55.05509	3.7
56.05040	0.7
56.96566	0.6
57.03437	3.8
57.07077	0.6
61.02916	1.6
66.33929	0.5
67.01864	0.5
67.05511	2.1
68.99799	3.2
69.03427	100.0
69.07058	2.6
69.72987	2.7
70.06590	1.4
71.04990	10.6
72.08154	7.0
72.93786	0.5
73.02910	0.6
79.05505	0.8
81.03414	49.5
81.07066	1.4
83.01350	1.4
83.08633	3.2
84.04520	0.7
84.08150	1.3
84.96024	0.7
85.02903	38.7
86.09702	0.7
87.00828	16.1
91.05521	0.9
93.07033	0.9
95.08606	0.8
97.02890	21.1
97.03508	1.1
98.97648	0.5
99.04451	23.1
100.09018	0.5
105.01880	3.5
107.04959	0.6
108.22010	0.5
109.02877	19.3
109.10164	0.7
110.99380	0.5
111.08099	1.0
115.05428	0.6
116.98602	0.5
119.08606	0.5
121.01685	0.8
127.03914	23.9
134.99716	0.6
145.04985	2.1
147.03000	0.5
149.01270	0.7
161.06015	0.6
175.09741	1.1
177.00836	0.8
187.15250	0.8
189.05457	1.0
191.02208	0.7
213.03873	3.1
231.04874	5.8
231.10149	1.1
231.13806	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	12.4
55.05268	4.4
55.05511	74.8
56.05034	35.5
56.96547	8.2
57.03428	6.9
60.04525	2.7
67.05165	5.1
67.05500	61.6
67.27971	2.3
68.05019	2.7
69.03426	40.6
69.07066	19.7
70.02939	3.7
70.06578	11.9
71.04974	8.1
71.33390	4.2
71.33736	3.7
71.95859	2.5
72.08139	6.4
79.05489	49.4
81.03416	5.4
81.07053	81.9
82.06563	6.9
83.04983	6.8
83.08618	23.6
84.04475	2.7
84.08133	6.5
85.02886	8.9
85.06535	4.9
86.06055	11.6
87.04466	5.8
91.05482	17.2
93.07042	49.0
95.04941	5.9
95.08594	23.7
96.08105	5.4
97.02872	11.0
97.06535	8.5
97.10171	45.3
98.06060	24.0
98.97581	4.1
99.04453	2.7
100.23287	2.5
105.07005	10.1
107.04960	13.4
107.08585	47.0
109.06535	4.7
109.10155	18.7
110.09679	3.6
111.08052	6.0
114.05537	3.0
116.98576	3.3
117.07056	14.3
118.06518	3.6
119.08560	5.5
121.10131	11.1
125.09630	32.7
127.03882	3.0
131.08575	8.9
133.10069	6.8
135.08014	9.3
135.11653	17.4
137.02814	3.1
142.04842	2.7
147.11620	2.6
149.13274	38.1
151.11156	2.3
153.09068	5.2
159.11659	15.5
160.97319	3.5
167.14307	4.2
168.13844	8.6
171.10106	5.7
176.14322	18.7
177.12701	12.5
186.14923	15.6
189.11189	6.1
194.08154	4.5
194.15414	48.6
195.13774	10.9
202.10625	3.5
212.09193	3.4
212.16466	100.0
213.13074	2.4
213.14824	16.6
225.57953	2.6
230.15485	4.6
230.19144	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95788	0.4
53.03937	1.0
55.05503	0.9
55.18139	0.3
56.05037	0.5
56.53524	0.3
56.96560	2.8
57.07059	0.4
65.12862	0.3
69.03419	1.7
69.07060	1.0
69.69442	1.8
70.06589	3.4
70.95826	0.4
71.04977	0.6
72.08148	1.9
72.93780	0.8
73.02923	0.5
79.05475	1.0
81.03404	1.1
81.07072	0.4
82.02927	0.5
84.04494	0.5
84.08128	1.3
85.02879	1.0
86.06068	2.5
86.09696	2.3
87.04459	0.7
90.94817	0.8
95.04967	1.2
96.04462	0.4
97.02871	1.6
98.06057	2.9
98.97559	0.8
99.04433	0.5
101.07188	0.5
105.07038	0.5
106.62797	0.3
107.04948	100.0
108.05292	0.8
108.95898	0.4
110.06059	0.4
112.04071	0.3
113.05994	0.3
113.96397	1.1
116.98641	0.8
119.01846	0.3
124.07618	0.9
127.03995	0.5
128.98628	0.4
129.10231	0.5
131.97449	1.1
134.99672	1.0
140.14333	1.7
146.99658	0.4
149.98563	0.4
150.96930	0.5
158.99620	0.5
160.97409	0.8
161.01207	0.5
174.99211	0.5
175.02661	0.3
177.00655	0.4
182.08069	0.5
186.14832	2.7
193.00122	0.5
194.08080	0.8
205.03929	0.5
206.98318	1.0
211.11874	0.4
212.09187	1.0
218.04405	0.6
223.04811	0.3
230.00648	0.4
230.10014	1.7
230.13882	0.8
230.24474	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94765	0.5
53.03920	1.3
55.05510	0.8
56.96294	0.9
56.96561	15.1
57.03176	0.6
57.03437	6.0
58.06575	1.1
60.04500	1.4
67.05481	0.9
68.05010	2.2
69.07040	0.6
70.06584	3.8
70.55147	1.7
71.95220	0.5
72.04493	0.8
72.08144	1.1
72.96046	0.6
79.05474	0.6
80.05033	0.5
81.03407	1.0
81.07034	1.4
84.04494	0.9
84.08128	1.9
86.06067	3.6
86.09710	2.5
92.37704	0.5
95.04958	0.5
95.06070	0.9
96.04469	1.7
98.03533	0.9
98.97573	29.5
99.08080	1.1
100.07592	0.8
103.81255	0.5
110.06016	0.8
114.05520	9.0
116.00195	0.7
116.98612	30.2
119.01913	1.0
124.11155	0.5
132.06566	4.5
134.01250	1.2
134.99646	20.6
137.09592	1.4
142.05377	0.9
142.08473	0.6
153.00687	3.2
158.01193	0.7
158.04898	1.5
160.06396	1.2
166.12245	2.4
171.05013	0.7
172.08090	0.7
188.05943	0.7
189.02550	0.6
189.04277	2.1
190.09283	0.6
202.07574	0.6
206.06883	1.6
207.05348	2.1
208.10278	1.2
224.08044	3.2
230.06982	2.1
230.13843	100.0
231.14215	1.6
234.75491	0.6
248.08064	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	230.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95509	0.3
53.03927	1.1
54.13345	0.2
54.95271	0.2
55.01853	0.7
55.05498	0.7
56.96549	1.0
57.03410	0.4
65.03928	0.4
67.05504	1.9
68.05832	1.3
69.03407	0.7
69.07072	1.8
70.06583	0.5
71.04986	0.4
71.29824	0.4
72.08146	0.4
77.03918	0.4
79.05492	3.1
80.04979	0.3
81.03403	0.5
81.05768	0.5
81.07051	2.1
81.07487	0.3
81.59914	0.2
82.07359	0.3
85.02893	0.4
86.06058	0.9
91.05468	2.4
91.37079	0.2
93.05780	0.8
93.07023	1.2
94.06528	0.3
95.04976	2.2
95.08588	0.7
96.08129	2.4
97.02892	0.6
97.06526	1.7
98.06073	1.4
98.97573	0.9
105.04533	0.3
105.07001	0.8
106.06554	0.7
107.04950	100.0
108.05279	0.7
108.08158	1.4
108.08766	0.3
109.10152	0.8
110.06060	0.3
110.10500	1.0
116.98640	0.8
118.06535	0.7
121.10092	0.3
122.79054	0.3
123.08060	0.6
124.07585	37.1
125.07932	0.3
126.05502	0.5
129.07059	0.3
130.06511	0.2
132.04457	1.3
134.05994	1.1
134.99632	0.6
136.07567	13.8
146.06013	0.7
147.30753	0.3
150.99377	0.3
158.99733	0.2
160.07567	1.5
160.11145	0.4
160.97360	0.4
162.05510	1.7
170.11781	0.4
174.05518	0.8
174.09114	0.4
176.14333	0.3
177.00708	0.3
182.08176	0.4
183.06860	0.3
184.11224	0.5
185.09589	0.4
186.09151	0.3
194.08156	0.7
202.12309	0.6
202.15437	0.3
212.09142	0.4
212.10843	0.9
230.11824	10.1
230.13966	1.7
230.24960	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.8
56.05032	3.2
57.22716	1.0
60.08161	8.7
62.77322	0.9
68.05018	2.1
69.03432	2.1
69.05829	2.1
70.06591	12.4
71.06931	2.3
72.08161	2.3
73.06557	3.4
73.07680	27.2
81.03434	1.1
81.41833	1.0
82.06590	1.9
83.06088	1.1
84.04505	55.9
84.08137	1.1
85.02921	1.7
86.06083	3.1
88.04019	2.0
97.02885	1.2
98.03564	6.1
98.06066	2.7
100.02206	1.8
101.07143	100.0
102.05547	1.8
109.07681	1.8
110.06049	7.1
115.08782	1.4
116.07114	1.6
117.05494	1.1
119.01930	4.0
120.01991	2.3
127.03265	21.0
127.04133	1.7
130.05002	11.1
139.08698	4.0
143.09059	1.5
152.08173	1.6
155.08141	2.5
158.05646	1.9
166.09769	6.6
167.08167	20.4
170.09268	6.3
173.02867	1.0
185.02835	1.3
186.10628	6.8
194.08214	1.1
212.10358	16.3
213.06345	0.9
213.08778	3.0
230.11501	22.5
230.15770	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	230.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.0
55.05514	6.4
56.05031	4.7
56.61630	0.5
56.96566	5.3
57.03431	1.5
57.07063	0.6
58.06596	1.1
60.04527	1.9
60.05645	1.2
60.08164	3.4
61.02916	1.6
67.05508	1.0
68.05019	1.3
69.03431	2.1
69.05814	0.8
69.07059	1.0
70.02953	0.9
70.06593	27.1
71.06916	2.5
71.57491	0.8
72.08157	5.6
72.93768	1.2
73.02912	1.8
73.06563	6.0
73.07680	25.4
74.06068	1.5
77.00916	0.9
79.00657	0.6
81.03433	0.8
81.43152	0.7
82.06583	2.2
83.06124	1.7
84.04506	50.7
84.08145	18.5
85.02896	2.2
85.08435	0.6
86.06049	2.2
86.09698	5.5
88.04000	4.4
90.94836	0.8
92.95811	0.7
94.06589	0.8
95.06047	0.8
97.02888	1.4
97.07677	1.0
97.31605	0.6
98.02412	1.3
98.03548	9.0
98.06055	2.5
98.97578	2.0
100.07620	1.5
101.00885	1.8
101.07142	100.0
101.10744	0.8
102.00979	1.5
102.02261	1.0
102.05561	2.2
102.07433	0.8
103.02441	0.9
109.07648	1.6
110.06049	5.9
112.08704	0.7
113.96421	1.9
114.05514	2.2
115.08678	1.0
116.07094	1.9
116.98618	2.1
118.03515	1.1
119.01924	17.9
120.01999	11.8
120.03217	0.7
121.01670	5.1
121.03481	0.8
124.07645	0.8
126.05453	0.7
127.03211	4.5
127.08662	4.1
128.07036	0.9
128.98680	0.9
129.10236	5.6
130.05005	11.2
130.08665	1.7
131.01913	4.4
131.97401	1.1
132.02032	4.2
132.05067	2.0
133.01707	1.1
133.03479	2.2
134.03621	0.7
134.99669	1.8
137.02948	5.6
138.03055	6.6
139.02708	2.5
139.08684	3.4
140.00159	0.7
140.04558	1.5
140.06999	0.7
141.00104	0.7
142.03503	1.5
142.07729	0.7
142.08621	4.1
143.01932	1.5
143.08986	1.9
145.03503	1.4
145.99940	0.8
146.99615	2.3
147.01472	0.8
147.05031	0.7
147.11250	1.1
148.01392	0.6
149.02969	2.6
150.03146	1.2
150.06133	2.1
152.08203	2.5
153.00737	0.7
155.08163	2.9
156.06485	0.9
157.03526	1.5
158.05623	1.8
159.01262	0.7
159.05069	0.7
161.01233	1.1
161.02968	3.7
162.03136	0.7
163.04596	1.2
165.00735	0.9
165.10373	0.7
166.09776	6.8
167.08171	21.0
168.06560	0.8
168.99982	0.8
169.99922	1.3
170.03459	0.8
170.09283	6.9
171.05119	3.7
171.09732	0.9
173.02966	1.8
173.09247	1.5
174.99261	0.9
175.04538	1.1
175.11874	1.0
176.04570	0.9
177.02408	1.0
181.03470	0.9
184.04575	1.6
184.15421	1.6
185.09198	0.9
186.10548	1.4
187.00890	1.0
188.00951	4.0
189.00732	1.7
189.02451	1.8
189.06076	2.3
190.98845	0.7
191.03915	0.7
193.00204	0.7
194.08234	0.9
198.00757	1.5
199.04535	3.4
202.05626	1.5
203.04099	1.4
212.10326	15.6
213.08759	3.3
213.10561	0.9
216.00459	1.5
219.03604	1.1
230.11398	22.8
230.13824	5.3
230.15849	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	230.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93404	0.6
55.05502	2.7
56.05034	4.7
56.96533	0.7
57.03407	0.7
58.06590	1.7
60.07882	0.8
60.08164	12.2
67.04243	1.4
68.05032	3.4
69.03429	2.3
69.05804	4.2
69.07038	0.7
70.06200	1.0
70.06588	19.9
71.06929	3.5
71.57650	0.9
72.08165	4.2
72.93773	0.8
73.02927	0.8
73.06548	1.9
73.07677	26.9
80.70620	0.7
81.03406	1.1
82.06557	1.3
83.06100	2.9
84.04501	50.7
84.08138	6.1
84.85487	0.7
85.02889	2.2
85.08446	0.8
86.00648	0.7
86.06065	4.0
86.09695	5.0
87.04465	1.3
87.05577	1.0
87.10023	1.4
88.03979	1.8
96.04444	0.7
97.02878	2.1
98.02416	0.8
98.03540	3.8
98.06040	4.1
98.97591	0.8
100.02216	3.2
101.00875	1.2
101.07138	100.0
102.05518	2.0
107.04934	0.7
109.07649	1.9
110.06047	6.6
113.96403	0.7
114.05553	0.9
115.08755	0.8
116.07094	2.8
116.98608	1.0
117.07439	1.7
119.01913	6.1
120.02048	1.5
121.01662	0.9
121.07629	0.9
124.03949	1.1
124.07574	1.0
127.03256	31.6
127.08656	1.7
128.07079	1.0
129.10225	1.3
130.04997	10.5
130.08699	0.7
131.01875	1.6
132.02054	1.3
133.01663	1.0
134.99646	1.1
137.02954	1.6
139.08636	4.6
142.03514	0.7
142.08650	2.1
143.08971	2.7
146.01210	1.1
146.99615	0.7
147.01460	0.9
150.03050	0.7
152.08168	1.0
155.08205	2.1
156.06551	0.9
157.03459	1.0
158.03520	1.6
158.05643	1.5
166.08569	1.2
166.09778	6.1
167.08159	22.2
168.06514	1.4
170.09290	3.5
173.02939	1.4
182.08093	1.1
184.04703	0.8
184.09500	0.8
184.10991	1.4
184.15263	1.8
185.02908	1.4
186.10606	9.9
188.05812	0.8
189.02272	0.9
194.08101	1.8
206.06870	1.0
212.10371	15.2
213.08669	5.0
213.10510	0.8
219.03517	1.3
230.11516	20.3
230.15813	13.8
231.09735	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1547
Annotation	L-isoleucyl-L-proline
Peak:m/z	Relative Intensity
55.03817	0.4
55.05511	0.8
56.96575	0.5
58.06597	0.8
67.05500	1.0
69.07078	2.5
69.65305	0.4
70.06595	50.2
71.06921	0.4
71.07426	0.9
72.08153	4.1
81.03439	0.4
81.07047	0.4
82.06596	0.4
84.04527	0.8
84.08141	2.8
86.09708	72.8
87.10036	0.9
97.02884	0.6
98.06041	0.9
98.09708	1.6
98.97575	0.4
112.11238	0.6
114.08995	0.4
116.07095	100.0
117.07442	1.1
127.03265	0.6
129.10246	0.5
135.58940	0.4
141.10228	0.4
156.08090	0.5
160.18132	0.7
183.09230	0.5
229.15501	6.9
229.23468	0.5
230.15776	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.05493	1.0
55.93513	0.5
56.05029	1.2
56.96561	4.0
58.06609	0.4
60.04519	0.7
67.05507	0.5
68.05019	0.7
69.03429	1.9
69.07050	0.8
70.06589	5.0
70.95850	0.4
71.04999	0.7
71.58836	0.6
72.04501	0.5
72.08150	3.6
72.93784	2.1
73.01128	0.7
77.03923	0.6
79.05489	1.8
80.05020	2.1
81.03412	0.7
81.07027	0.7
82.06573	0.6
84.04483	1.3
84.08141	3.5
85.02887	0.9
86.06057	3.4
86.09704	1.3
87.04464	0.9
90.94816	1.2
95.04973	1.8
95.06093	0.7
96.04501	1.6
97.02904	1.3
98.06060	2.7
98.97568	2.3
101.07163	1.0
107.04945	100.0
108.04544	0.5
108.05269	1.4
109.02877	0.5
110.06030	0.7
112.07556	0.4
112.08687	0.5
113.96388	1.9
114.05501	1.2
116.07072	0.9
116.98627	2.9
117.07382	0.4
119.01896	0.7
124.03942	78.1
124.11213	0.5
125.04280	0.9
127.03976	0.4
129.10237	1.7
130.05013	0.8
131.97412	2.8
132.06543	1.2
132.95799	0.8
134.01309	0.6
134.97365	0.7
134.99628	2.5
142.08591	0.6
150.96860	0.9
153.00731	0.9
160.97360	1.4
166.08649	0.5
170.08011	0.7
182.08101	0.6
186.11221	0.5
187.20621	0.4
194.08151	1.0
207.05251	0.6
212.09200	0.9
212.12651	0.8
212.59184	0.4
230.00505	0.8
230.04768	0.7
230.10204	1.1
230.13821	7.3
230.15747	1.0
230.17567	0.8
230.25145	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1546
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
52.76659	0.3
55.01872	0.7
56.05011	0.3
56.96282	0.7
56.96562	11.0
57.03427	0.7
58.06331	0.6
58.06594	6.5
58.55388	0.3
59.07380	1.6
60.08159	7.7
62.55670	0.3
67.73087	0.3
68.05035	1.6
69.03445	0.3
69.07068	0.4
69.25691	0.3
70.06585	44.2
71.20174	0.7
72.08143	0.8
72.96015	0.5
79.05486	0.4
81.07062	0.6
82.07387	0.6
83.06096	0.5
84.04517	0.4
84.06413	0.4
84.08137	0.6
84.96017	0.4
86.06093	0.4
86.09702	2.1
95.05031	0.3
95.06075	4.7
96.05829	0.6
96.06411	3.3
96.08126	2.1
97.06604	0.5
98.06059	0.9
98.97576	10.7
98.98186	0.6
106.05200	0.3
107.04941	0.8
111.31024	0.3
112.08718	1.2
113.09077	1.2
114.05526	4.8
114.09173	2.4
116.07089	1.1
116.98611	10.7
119.01913	1.2
124.03933	0.5
124.07575	3.9
126.02313	0.5
126.09142	0.7
134.01244	0.4
134.03024	0.6
134.99646	9.0
137.00417	0.3
137.02977	0.6
140.03818	0.6
142.08620	38.1
144.03299	0.5
146.99602	0.3
147.41785	0.3
152.07085	0.4
152.12560	0.3
153.00697	1.3
158.04872	1.2
160.06453	1.5
164.12637	0.4
170.08102	1.7
176.05820	0.5
178.07477	0.9
188.05930	1.5
189.04364	1.9
194.08194	0.3
194.13692	0.7
199.30746	0.4
205.98770	0.5
206.06996	2.1
207.05383	1.6
208.10321	0.4
211.14415	0.5
211.16301	1.3
212.14729	0.9
224.08038	4.4
229.15439	100.0
229.17282	6.7
230.06976	1.6
230.13838	3.4
230.15857	1.9
231.05444	0.5
240.00719	0.3
248.08055	4.0
249.06723	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1434
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
52.82227	0.9
53.02681	1.1
53.03926	1.5
55.01860	3.6
55.05507	11.8
56.05010	2.0
56.96553	2.7
57.03191	1.2
57.03436	13.7
57.07059	1.5
58.06590	2.4
59.04983	3.9
60.08148	2.2
61.62883	1.0
65.03922	1.7
66.34187	0.9
67.05504	81.2
68.05811	1.2
69.03407	3.7
69.07061	10.9
70.06593	30.8
71.04993	33.1
71.58670	1.2
72.08152	5.6
79.05132	1.0
79.05489	12.2
81.03416	2.1
81.07058	28.0
82.07434	1.0
83.04991	1.7
83.08609	9.3
84.04488	5.8
84.08146	5.6
85.02869	1.7
85.06528	3.8
86.06068	1.9
86.09711	11.3
87.04449	4.2
91.05477	9.7
93.07031	10.1
95.04953	3.2
95.08606	100.0
96.08910	1.5
97.06538	9.4
98.06030	2.8
98.09669	3.1
99.08060	1.6
100.11240	3.7
104.10706	1.3
105.06502	0.8
105.07037	8.1
107.04951	2.5
107.08576	3.1
107.16360	0.9
108.11238	1.0
108.82584	1.0
109.10156	45.4
111.08031	1.8
112.11218	1.2
113.09558	2.5
116.07068	3.5
117.07019	1.4
119.01917	4.5
119.08569	6.9
121.10117	4.2
123.08077	9.2
127.03231	5.0
129.10223	1.8
130.04996	3.4
131.08583	1.6
133.06438	1.4
137.09598	2.5
141.09074	2.5
147.11702	3.0
148.64388	1.1
155.10605	1.8
155.11754	1.1
159.10167	14.9
165.12706	2.3
168.13791	2.0
173.11765	13.4
173.16393	1.3
183.09123	1.4
183.13770	15.8
183.15129	1.7
186.10568	2.3
186.14909	2.5
201.09084	2.1
202.19379	1.1
212.09154	1.5
212.12756	2.0
229.08565	2.0
229.14320	72.2
229.23546	1.1
230.09979	1.6
230.14616	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	229.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	10.5
57.03433	19.0
57.07071	3.0
59.04996	6.0
65.03942	1.6
67.05502	100.0
68.05843	1.5
69.03425	0.9
69.07073	1.9
69.09534	0.6
69.27010	6.9
70.06558	0.8
71.04987	2.8
79.05520	1.4
81.07056	13.8
83.08624	5.9
83.38065	0.7
85.06554	2.1
86.06068	1.4
89.04006	0.7
91.05477	7.2
93.07034	3.4
95.08602	6.4
98.06056	1.2
98.98447	0.8
99.08095	1.2
105.07024	0.8
107.08585	2.1
109.10152	78.4
110.10476	1.2
111.08097	3.8
117.07030	1.5
119.08578	6.6
125.46057	0.6
131.08588	0.9
137.09610	4.3
143.08530	0.8
145.10193	1.1
155.10680	3.1
158.66551	0.7
158.97765	1.0
159.11710	0.8
160.97363	1.3
168.09259	0.7
171.11653	0.7
173.11745	22.5
173.13123	1.4
183.11816	0.9
201.16318	0.8
212.09288	0.7
220.73776	0.6
229.12251	1.2
229.14247	20.0
229.19304	3.5
229.23404	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	9.4
55.93189	1.0
57.03437	18.5
57.07059	1.7
59.04992	4.8
65.03955	2.2
67.05505	100.0
68.05839	1.6
69.07058	2.1
70.06593	1.2
71.04990	4.2
71.17243	2.1
72.83127	0.9
74.51305	1.1
79.05487	3.0
80.43964	1.0
81.07057	12.2
83.08626	6.8
85.06531	2.3
85.09117	1.0
86.06060	1.8
87.04465	1.4
87.12073	1.2
89.52201	1.2
91.05470	9.5
93.07027	6.4
95.04996	1.5
95.08611	8.2
95.11353	1.2
98.06081	2.4
98.98454	3.2
107.08598	1.8
109.10158	83.4
110.10495	1.7
111.08088	2.8
119.08584	8.6
137.09651	8.9
147.08054	1.6
155.01064	1.3
155.10701	2.2
173.09586	1.7
173.10095	1.3
173.11734	20.1
187.14861	1.3
229.14194	17.6
229.19379	2.0
229.23578	1.5
230.10179	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	12.0
56.96541	1.8
57.03188	1.5
57.03436	17.8
57.07075	5.7
58.06602	1.7
59.05009	6.0
60.08165	10.0
61.08490	2.5
65.03933	1.7
66.58813	0.8
67.05505	100.0
68.05823	1.0
69.03427	1.7
69.07064	3.0
70.37904	1.4
70.38257	2.9
71.04981	4.1
71.08634	1.3
79.05488	3.6
81.03468	0.9
81.07056	19.0
83.08624	7.5
84.08104	0.9
85.06540	3.5
86.06075	1.6
87.04454	1.1
91.05475	12.6
93.07050	7.2
95.08601	8.9
97.02887	1.2
97.06527	0.9
98.06020	1.9
98.10030	0.9
105.07027	6.0
107.08572	2.7
109.10154	83.1
110.10514	1.1
111.08075	4.1
117.07029	7.7
119.08581	10.1
121.10168	1.6
125.09675	0.9
129.07001	1.4
131.08566	11.5
133.10138	3.3
135.11694	0.9
137.09634	4.1
139.70151	0.8
145.10152	6.3
147.11728	4.7
152.93372	0.8
155.10684	2.2
159.11703	7.6
161.13271	1.4
173.11739	21.6
173.13271	10.6
176.94691	0.9
183.11687	1.0
187.14790	2.5
192.39285	1.0
196.24503	0.9
211.11192	0.9
212.09164	1.5
212.78673	1.0
227.54689	0.9
229.12120	1.6
229.14284	18.7
229.19485	12.7
229.23511	2.1
229.27208	52.5
230.10246	1.2
230.24881	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1433
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
52.45793	0.5
55.05506	8.9
57.03436	18.1
57.07070	1.6
59.04997	4.8
65.03931	1.5
67.05501	100.0
68.05831	1.1
69.03429	1.0
69.07068	2.3
69.91717	2.2
70.50658	0.4
71.05005	3.3
71.05342	0.6
77.40962	0.5
79.05506	1.3
81.07053	12.5
83.08611	6.4
85.06536	2.6
91.05476	5.3
93.07044	3.8
95.08598	6.0
98.21442	0.6
99.08069	1.1
107.08592	2.4
109.10150	86.9
110.10495	1.0
111.08054	2.5
119.08555	6.0
137.09608	3.5
155.10649	3.9
159.11818	0.6
173.11728	26.2
174.11966	0.7
229.14322	22.4
229.23439	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1433
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
55.01881	1.0
55.05510	9.1
57.03145	0.8
57.03429	15.4
57.07065	1.6
59.04996	4.3
65.03932	1.8
65.18526	0.6
66.40255	0.5
67.05498	100.0
68.05820	0.9
69.07071	1.9
71.04990	3.9
71.50683	1.4
79.05484	1.8
81.07050	13.5
83.08617	5.9
85.06537	2.8
86.06045	0.6
91.05476	4.7
93.07029	2.3
95.08604	5.3
95.83645	0.5
96.38190	0.5
98.06017	0.5
107.08551	1.5
109.10146	84.2
110.10490	1.1
111.08049	2.9
119.08589	5.5
124.87914	0.5
137.09592	4.2
139.35464	0.5
145.34621	0.5
155.10683	3.4
173.11731	22.9
229.12398	0.7
229.14316	20.0
229.19179	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	8.8
57.03148	0.8
57.03433	17.1
57.07072	1.2
59.04996	4.9
61.92799	0.7
64.48292	0.6
65.03941	1.7
67.05500	100.0
68.05873	0.9
69.03426	0.9
69.07066	1.2
71.04362	1.1
71.04980	2.4
79.05482	1.9
80.92173	0.7
81.07055	13.0
83.08613	6.0
85.06556	3.2
87.04517	0.8
89.74821	0.9
91.05485	5.8
93.07044	4.7
95.08604	5.1
98.06071	1.0
99.08126	0.7
107.08595	1.8
109.10149	82.9
109.36583	0.7
111.08096	3.2
119.08565	7.1
133.84195	0.7
137.09608	3.6
155.10683	3.2
173.11740	20.3
229.14273	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	229.0585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19018	1.9
55.01876	2.5
57.03426	3.8
57.41398	2.0
58.06582	8.7
60.08169	11.7
67.05476	3.4
68.05025	3.2
69.03428	6.9
70.06594	63.1
70.76350	5.9
72.08147	8.0
72.90494	1.9
77.13260	1.9
81.03415	4.6
81.07042	2.1
82.06580	2.3
83.04960	2.5
84.08136	4.2
85.02889	9.8
93.10971	2.1
95.04972	3.9
95.49591	2.0
96.08110	3.9
97.02879	6.7
98.06023	2.4
98.09695	3.1
102.04025	9.0
107.04960	2.6
109.02937	2.1
114.05508	6.0
114.09175	3.4
114.54857	2.0
118.03522	13.6
119.01925	5.3
120.03273	3.2
120.05065	4.7
121.03511	3.1
123.04453	2.8
124.07558	3.1
127.03952	3.7
128.07042	3.0
131.01936	6.9
133.01677	5.1
133.10252	2.0
135.04404	1.9
136.04559	13.9
138.04291	3.0
139.08620	3.0
141.05135	5.8
141.10240	11.1
142.08641	44.8
143.06656	2.3
147.04387	2.2
148.04645	2.4
149.02919	5.5
157.03474	4.2
159.06148	10.8
161.07713	9.9
175.04453	2.6
184.04527	5.1
187.05684	12.5
193.05067	3.5
198.85539	2.4
202.05647	3.9
205.06734	15.3
211.05763	2.8
212.09171	2.4
228.86630	4.2
229.06699	8.1
229.11855	6.4
229.15479	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1223
Annotation	Bisphenol A
Peak:m/z	Relative Intensity
53.03934	4.0
54.06404	0.7
55.01867	3.1
55.05506	13.3
56.96553	2.1
57.03434	21.1
57.07050	1.6
59.05000	4.2
64.94299	0.7
65.03934	3.2
67.05499	100.0
69.03425	16.3
69.07051	3.1
69.64223	5.8
70.06580	5.0
71.04969	4.7
72.08147	1.1
75.33154	0.9
79.05482	4.8
81.03402	1.7
81.07053	17.1
83.04980	1.7
83.08616	8.3
85.02902	1.9
85.06534	3.0
91.05476	14.1
93.07030	8.7
94.07371	1.0
95.04960	4.0
95.08598	6.8
97.06529	1.3
98.97574	2.0
99.08125	1.5
105.07014	6.3
107.04950	2.3
107.08591	3.4
109.02864	12.3
109.06509	2.5
109.10146	87.8
110.10523	1.1
111.08040	4.4
115.05441	1.1
116.98614	1.3
117.07009	2.7
119.01907	1.2
119.08562	9.9
121.06513	7.2
121.10126	1.8
125.02364	1.6
127.03902	1.0
127.05456	0.8
128.06171	1.7
129.06985	3.4
131.08556	9.2
133.10103	5.8
135.08041	1.0
137.05930	0.9
137.09601	5.2
141.07027	2.0
142.07744	1.8
143.08536	9.9
144.09351	3.7
145.06464	2.4
145.10117	5.2
147.07967	1.0
147.11659	1.3
151.95714	0.9
153.06992	2.7
155.07024	1.4
155.08554	3.4
155.10619	4.0
157.10156	1.8
158.07184	1.3
158.10892	9.4
159.08047	5.4
159.11691	7.5
163.97713	1.2
165.09131	1.1
168.09352	3.0
169.10185	1.3
170.10889	5.7
171.08054	4.5
172.08801	7.4
173.09605	22.7
173.11725	24.7
173.13260	24.7
177.00648	1.3
181.06459	1.8
183.08122	1.6
183.11652	6.4
185.09550	1.9
185.13263	2.3
186.10387	15.4
187.07625	1.5
187.11165	44.4
188.11459	1.0
191.02245	1.2
196.08836	4.4
201.12729	36.6
205.98784	2.2
211.07651	1.0
211.11160	9.7
214.09926	3.0
229.08646	1.9
229.12228	53.2
229.14372	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1434
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
50.02337	0.6
53.03945	0.8
55.05509	5.3
56.96561	1.7
57.03436	7.5
57.07070	1.6
59.04991	2.1
61.56877	0.6
62.42698	0.6
64.13976	0.6
65.03930	0.9
67.05502	44.0
69.03416	1.8
69.07063	7.7
70.06588	3.5
70.73061	1.9
70.73392	0.6
70.84863	0.6
71.04979	3.4
71.52178	0.6
72.08150	0.7
79.05480	2.2
81.03387	1.0
81.07053	10.5
83.04984	0.7
83.08610	2.4
84.08147	0.9
85.06528	2.3
86.06035	1.1
91.05469	5.6
93.07048	5.0
95.04969	6.5
95.08602	7.5
97.02898	0.7
98.06075	1.1
98.97538	0.7
101.44570	0.6
105.07020	2.9
107.04952	1.6
107.08582	2.2
109.10150	100.0
110.00643	0.6
110.10491	1.5
111.08067	1.1
117.06995	1.2
119.01884	0.9
119.08568	6.6
121.06512	2.6
121.10143	1.1
123.11699	9.5
126.05445	0.7
127.11189	22.8
128.06212	0.7
129.07069	0.7
131.08554	2.3
133.10132	4.6
136.07574	7.8
137.09624	7.0
141.06882	0.7
143.08540	2.0
145.10138	2.0
145.96664	0.9
147.11650	0.9
151.11171	1.9
155.08633	1.2
155.10617	2.8
157.10051	1.1
158.97603	2.1
159.08224	0.8
159.11697	2.0
159.98013	4.9
160.97340	18.5
161.09622	4.3
163.97704	1.6
169.10155	1.3
171.11699	1.4
173.05891	0.8
173.11745	15.8
173.13155	1.3
179.10674	8.5
183.11642	1.4
187.11003	0.7
187.14760	0.7
187.98390	0.9
194.08162	0.6
196.12459	0.8
197.11719	4.1
201.09032	0.7
205.98752	4.0
211.13173	1.0
211.14973	1.7
229.01189	7.0
229.04987	1.3
229.08559	2.3
229.12091	1.6
229.14018	8.0
229.15952	3.0
229.19508	1.0
230.00592	19.0
230.11925	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	228.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09953	0.7
53.03932	1.0
55.01849	2.6
55.05262	1.0
55.05505	14.6
56.04781	1.2
56.05032	16.6
56.96550	2.2
58.06589	2.6
58.99559	0.9
64.89238	0.8
67.05174	0.8
67.05499	11.1
68.05035	4.4
69.03404	1.8
69.07065	5.9
70.02959	4.2
70.06586	25.2
70.92198	1.5
71.04966	2.1
72.04510	12.4
72.08141	1.9
76.02229	3.8
79.05490	14.4
80.05005	5.7
81.03398	4.1
81.07054	19.2
82.06563	4.5
83.04967	2.9
83.08594	1.9
84.04491	1.2
84.08131	2.1
85.02876	1.8
86.06067	1.2
86.99010	1.7
87.04418	1.1
91.05473	9.8
93.07033	8.8
94.06540	1.9
94.07366	0.7
95.04977	4.0
95.06049	1.8
95.08602	11.0
96.08119	2.0
97.02839	1.0
97.10159	1.0
98.06035	6.0
98.97588	1.4
103.05460	1.1
105.00079	2.0
105.07014	6.3
106.06509	1.1
107.04947	74.0
107.08569	3.9
108.05241	1.1
108.08069	1.2
109.06505	1.7
109.10111	1.4
110.09654	0.9
111.08087	0.8
111.46066	0.8
112.07600	0.8
115.05483	0.8
116.07066	1.5
116.98614	0.9
117.06980	0.8
119.08570	4.2
121.06502	5.7
121.10132	6.4
122.02724	15.1
122.06004	0.9
122.09669	1.4
123.08044	2.3
123.11640	1.7
127.38402	1.0
129.06969	2.1
131.08546	2.4
132.08972	1.2
133.10115	2.3
136.07480	1.1
138.12766	8.8
142.07739	0.9
147.11678	4.2
148.11179	2.3
149.09645	4.7
150.99153	0.9
153.06891	1.1
154.15843	2.3
155.08546	1.6
157.06418	2.2
157.10086	2.8
160.07541	1.1
164.14326	3.0
165.06953	3.4
166.10994	1.3
166.12277	14.8
167.07237	1.3
167.10748	0.9
171.08051	2.2
172.03372	1.0
175.11154	2.4
182.15396	52.8
183.08014	3.5
183.15720	1.0
184.13316	39.1
185.08325	3.0
192.13850	6.5
193.12221	1.5
197.01254	1.2
200.10652	6.4
200.16415	2.0
204.05344	1.0
209.51047	0.9
210.02194	0.9
210.09152	2.6
210.14876	100.0
211.13223	1.4
211.15121	1.2
212.06891	1.2
213.07767	1.1
219.05917	0.9
228.10181	16.6
228.12590	1.1
228.15907	28.5
228.23178	1.6
229.10374	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.5
55.05506	2.8
56.05054	0.4
56.96560	3.0
58.06606	0.9
60.08151	0.8
68.05020	2.7
70.06590	8.1
71.04989	1.0
71.08881	1.0
72.08160	1.2
79.05489	2.2
81.07055	10.0
83.06097	10.0
84.08144	1.5
85.02920	1.2
85.08461	0.6
95.06085	93.8
96.04462	0.5
96.06424	0.8
97.02917	0.6
97.07640	0.9
98.03549	0.6
98.97578	1.9
107.04929	0.5
112.08726	28.4
114.05515	0.6
116.98602	0.8
119.01861	2.7
120.58921	0.5
124.07563	0.6
131.01938	0.8
134.99614	0.6
137.02968	1.2
140.02304	0.6
142.08629	3.6
149.10774	0.5
150.06561	0.6
150.99147	0.8
151.12334	2.1
161.01208	0.5
163.12305	6.6
164.08237	1.5
174.04358	1.0
181.13350	1.0
186.04390	1.6
187.00966	0.5
187.04527	1.5
193.13368	7.5
199.14403	1.1
201.05959	0.5
204.05452	2.1
205.05640	0.8
210.08882	2.3
210.16011	19.6
211.14424	15.0
211.16420	1.1
220.82806	0.5
224.08110	0.9
228.05571	0.8
228.17070	100.0
229.15457	11.7
229.17438	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0688
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96544	2.1
58.99575	1.7
70.06571	1.4
71.50487	1.6
76.02227	5.2
79.05474	1.8
86.99055	2.2
95.04941	2.1
95.06080	8.2
105.00064	3.0
107.04948	100.0
112.08681	1.6
122.02727	20.3
158.97466	1.2
167.02303	1.0
211.14467	1.1
228.12413	1.2
228.17081	6.6
228.23256	2.1
229.07407	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	0.9
57.07064	0.5
67.05496	0.5
68.55125	0.2
69.07060	6.7
70.07409	0.3
70.23129	0.7
71.32330	0.2
75.00025	100.0
76.00337	0.5
81.04527	0.5
86.03539	0.6
91.21722	0.2
95.15507	0.2
96.02010	0.2
97.03998	0.3
98.03516	0.3
98.21361	0.3
109.10157	0.5
116.04520	0.8
119.44590	0.2
124.05058	12.3
134.27930	0.2
145.44867	0.2
158.97581	1.3
160.02707	82.4
161.03055	0.7
172.02699	5.7
178.08110	0.3
186.04289	0.4
206.49252	0.2
228.08943	9.2
228.23250	1.4
228.26807	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1593
Annotation	N-Octanoyl-L-homoserine lactone
Peak:m/z	Relative Intensity
54.03477	0.3
55.01870	0.8
55.05507	1.7
56.05030	2.7
56.96558	1.3
57.07071	24.0
58.06596	0.4
59.05005	0.3
59.37051	0.2
62.00990	0.2
65.03908	0.2
67.05501	5.9
69.03418	0.5
69.07056	1.3
70.04073	0.6
70.06577	0.8
71.04998	0.3
71.08627	0.3
71.59923	0.3
72.08151	0.3
73.02918	1.2
74.02438	0.4
74.06078	2.1
78.16068	0.2
79.05488	0.8
80.05003	0.3
81.03390	0.4
81.07044	2.2
82.06577	0.3
83.04987	0.5
83.08620	1.2
84.04498	1.6
84.08138	0.7
85.02895	1.7
85.06564	0.2
86.06059	0.4
86.09703	0.4
91.05481	0.5
93.07024	1.0
95.04973	0.3
95.06081	0.6
95.08605	1.1
96.08121	0.5
97.02893	0.3
97.06532	0.3
97.10155	0.4
98.06041	0.9
98.09675	0.2
98.97574	1.4
99.04458	0.3
99.19740	0.2
100.11198	0.2
102.05532	0.8
105.07015	0.6
107.04935	0.5
107.08586	0.8
108.08121	0.4
109.06519	0.5
109.10148	6.0
110.09711	0.5
112.07578	0.5
116.98608	1.5
119.01898	0.3
119.08601	0.4
121.06496	0.3
121.10131	0.3
123.11681	0.2
125.09615	0.8
126.09143	0.3
126.12777	2.1
127.11183	8.3
127.12125	0.4
128.11484	0.2
130.05026	0.5
134.99631	1.2
138.12787	0.3
140.14339	0.4
145.06511	0.2
146.99622	0.4
147.11662	0.4
152.14331	31.2
153.00711	0.2
153.14629	0.6
154.12291	0.3
155.00388	0.2
158.97610	0.6
158.99657	0.4
161.02960	0.3
163.97769	0.3
165.12762	0.4
168.13843	0.5
173.11751	0.4
177.00710	0.9
182.15390	45.4
183.08046	0.2
183.15718	0.8
205.98721	0.4
210.09079	0.3
228.15924	100.0
228.23157	1.3
229.08928	0.4
229.14253	0.3
229.16248	2.0
246.07306	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.2
53.03945	0.6
55.01872	0.3
55.05513	0.3
56.05039	0.3
56.96567	0.9
57.98784	0.2
58.06601	0.2
58.99585	2.7
67.05498	0.5
68.05024	0.1
69.07054	0.3
70.06583	0.7
70.18807	0.5
72.04521	0.2
72.08158	0.6
74.97607	0.2
76.02228	6.0
77.03918	0.1
79.05483	1.4
80.05001	0.2
81.03426	0.3
81.07054	0.6
82.06553	0.2
83.04990	0.1
84.04506	0.6
84.08128	0.8
85.06549	0.2
86.09704	0.2
86.99053	1.9
91.05463	0.3
95.04968	1.6
95.08595	0.3
96.08141	0.1
96.67832	0.1
98.06048	0.3
98.09692	0.2
100.11228	0.1
102.76457	0.1
105.00087	3.3
105.04501	0.3
105.06981	0.2
107.04953	100.0
108.05280	1.0
108.08093	0.2
108.08851	0.1
110.07132	0.2
112.07603	0.1
112.11253	0.3
115.94748	0.1
116.98640	0.2
122.02725	21.0
130.05000	0.1
132.08887	0.1
134.99602	0.1
146.99640	0.3
147.11665	0.1
148.02925	0.1
148.11150	0.1
149.01372	0.1
149.09731	0.1
150.09944	0.2
150.99147	0.4
168.11157	0.1
169.00200	0.3
172.08644	0.3
182.09604	0.4
182.15393	0.8
184.13356	0.4
195.63132	0.1
210.14900	1.8
217.05473	0.2
228.12289	0.3
228.15973	1.2
228.23228	0.9
237.56609	0.1
243.08769	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03934	4.6
53.26911	1.8
55.01867	4.4
55.05261	3.4
55.05508	46.6
55.68744	1.8
56.57483	2.1
57.03416	5.8
57.07080	9.7
59.04977	4.5
61.02922	3.8
62.22948	1.9
67.05171	2.7
67.05502	36.9
69.03421	41.1
69.06711	3.2
69.07061	40.1
69.30421	3.5
69.30829	18.5
71.04990	31.0
79.05489	48.5
81.03409	11.8
81.07053	66.7
82.06557	7.9
83.04967	27.7
83.08616	30.1
85.06519	5.6
87.04501	2.8
88.13427	2.0
90.58567	2.1
91.05477	22.9
91.58127	2.5
93.07040	55.2
95.04967	12.5
95.08600	54.4
96.02614	2.1
97.06535	12.9
97.10159	22.9
99.04491	2.1
99.08086	5.6
100.09440	5.2
100.11252	43.0
101.11562	2.5
101.71357	2.4
105.07030	23.4
107.04936	10.0
107.08590	100.0
109.06483	15.5
109.09463	2.5
109.10152	41.5
110.05997	3.2
111.04395	3.5
111.08072	27.8
115.07543	10.8
117.07011	5.8
117.13849	2.8
119.08547	9.9
121.06511	17.3
121.10148	38.8
123.08037	14.0
123.11710	13.1
125.05959	2.3
125.09631	23.9
129.09109	5.7
131.08551	14.6
132.09177	2.2
133.10135	19.0
134.10751	2.3
135.08041	35.2
135.11670	11.2
137.09624	12.6
139.07532	4.9
141.11462	9.9
143.10651	9.2
143.11671	2.2
145.10135	4.8
147.11661	18.1
149.09631	15.5
149.13264	21.3
151.11194	33.0
153.09085	10.2
154.12254	3.0
154.51321	2.2
158.10939	2.8
160.13066	2.3
161.13254	4.6
163.11168	2.5
163.14821	24.5
163.64360	6.0
165.12758	13.0
173.08275	2.1
173.13254	29.7
182.15434	12.9
190.50050	2.1
191.14301	40.9
199.18089	7.1
209.15202	17.1
210.14807	3.6
213.17894	10.2
213.67923	3.0
227.10382	36.8
227.16335	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	227.164
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03947	3.9
55.01857	4.9
55.05512	28.8
56.96553	1.8
56.99658	1.4
57.03424	5.7
57.07073	13.5
59.04985	6.0
59.77245	1.4
61.02904	1.6
65.03922	2.4
67.05162	3.0
67.05500	36.3
69.03066	2.8
69.03423	37.9
69.07063	45.4
70.72839	2.5
70.73182	3.4
71.04987	39.6
71.08614	1.7
79.05484	46.3
81.03421	8.1
81.07052	63.9
83.04981	23.7
83.08610	18.9
85.02885	3.5
85.06537	6.4
85.48609	1.4
87.04507	1.9
91.05475	27.8
93.06463	3.7
93.07037	61.8
95.04963	70.4
95.08603	47.3
97.06529	16.8
97.10170	23.2
98.97564	2.0
99.04472	6.5
99.08081	11.4
100.11259	4.6
103.05482	1.6
105.07019	28.8
107.04958	7.3
107.08588	100.0
108.08958	2.2
109.06509	23.9
109.10152	44.2
109.23804	1.6
111.08071	21.1
113.00996	1.4
113.06027	1.7
115.05453	2.0
115.07542	12.3
116.98573	1.8
117.07002	4.8
119.01938	2.8
119.06085	2.3
119.08578	16.1
121.06501	13.1
121.10143	37.1
123.08096	10.9
123.11709	16.1
125.05982	3.3
125.09623	27.5
127.07560	2.8
127.11162	2.0
129.06969	2.6
131.08565	22.1
132.35988	1.5
133.10123	35.0
135.08044	29.2
135.11700	14.9
137.09619	12.3
139.07520	5.2
139.11176	7.1
143.01888	6.2
143.08537	2.9
143.10651	7.4
145.10117	9.6
147.11688	18.6
149.09599	15.2
149.10762	2.1
149.13255	20.9
151.11192	26.0
152.14343	5.3
153.09111	19.3
158.10863	3.0
161.02927	10.9
161.13202	2.0
163.11139	4.5
163.14835	19.4
165.12733	10.6
167.07039	2.6
167.10643	2.8
171.10175	6.0
173.13249	42.5
179.14165	1.8
182.15370	7.4
191.14304	38.9
202.71281	1.8
206.09659	2.4
209.11829	2.0
209.15318	20.8
227.16362	36.6
228.10014	2.0
228.15892	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	227.1641
Annotation	(+)-9,10-Dihydro-7-iso-jasmonic acid
Peak:m/z	Relative Intensity
53.03944	5.1
55.01868	20.0
55.05510	89.4
56.05835	3.2
56.96558	8.6
57.03425	6.1
57.07070	5.8
59.05023	3.9
67.05508	48.2
69.03430	8.2
69.06787	2.4
69.07076	30.1
70.06577	6.2
71.05000	67.8
71.58928	3.7
79.05485	37.3
81.07059	50.3
83.04978	7.5
83.08622	47.2
84.08936	4.0
85.06532	10.4
87.04456	7.5
88.07636	2.7
91.05489	16.1
93.07040	28.5
95.04949	6.3
95.08610	17.6
97.06534	100.0
97.10173	74.4
100.11262	7.6
105.07034	8.1
107.08596	37.3
109.06487	5.4
109.10175	22.3
111.08089	9.3
115.11304	3.0
117.07015	9.5
121.10147	8.0
125.09634	60.5
129.06998	6.6
131.08563	9.1
133.10110	9.5
133.37941	2.5
135.08069	12.2
135.11705	8.3
143.08527	3.3
145.10091	3.5
149.09575	2.6
149.13274	9.2
153.09106	5.9
157.10126	6.3
159.11719	11.9
164.22818	2.6
171.11714	7.1
177.12807	8.3
181.06435	4.5
181.17763	7.0
182.09576	3.9
185.13246	4.4
189.11194	7.0
195.13831	31.7
199.18895	3.8
227.07039	4.2
227.10486	5.4
227.12813	25.1
227.16267	60.1
227.18158	11.2
228.23256	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	227.164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72134	0.6
53.03948	1.7
54.29927	0.7
55.01870	1.5
55.05511	12.1
56.02639	1.1
56.96558	2.7
57.03434	2.1
57.07072	1.8
65.03941	1.0
67.05502	27.7
69.03417	1.1
69.07068	8.2
69.37555	3.9
69.37981	2.3
69.86137	0.6
71.04989	100.0
72.05350	0.5
72.93787	1.0
77.03940	0.7
79.05490	13.3
81.03445	0.9
81.07052	35.9
83.04983	2.5
83.08613	5.2
85.06551	2.9
91.05474	8.0
93.07037	16.3
95.04977	2.0
95.08601	19.2
97.06509	4.0
97.10156	6.4
99.08119	2.3
100.11266	1.8
102.70117	0.6
105.07024	5.4
107.04952	1.4
107.08579	10.0
109.06534	1.4
109.10165	3.4
111.08094	3.3
113.06029	0.9
115.05465	1.6
117.07019	7.0
119.08598	3.2
121.06500	1.5
121.10104	3.9
125.09621	7.0
126.83681	0.7
128.06242	2.2
129.07024	4.4
130.07773	0.6
131.08551	9.4
133.10121	5.0
135.08086	2.5
135.11671	8.9
138.51463	0.7
142.07809	0.7
143.08546	7.2
145.06549	0.9
145.10092	5.6
149.09642	1.5
149.13258	5.0
157.06488	0.6
157.10091	5.5
158.97627	8.7
159.11685	9.6
163.11298	1.1
166.03085	0.7
171.11690	6.2
177.12772	1.8
185.13271	5.4
185.98753	0.8
189.11205	3.2
189.52196	0.8
192.09042	0.9
195.13857	1.3
209.15344	1.7
227.07146	1.1
227.10585	1.4
227.12595	10.7
227.17949	16.7
227.20076	1.1
228.00883	13.8
228.10414	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	Blumenol B
Peak:m/z	Relative Intensity
52.65181	0.4
53.03938	1.5
55.01871	1.1
55.05505	5.4
56.02646	1.4
56.96551	0.6
57.03429	1.1
57.07071	1.5
65.03941	0.7
67.05502	24.7
68.77449	0.4
69.07061	5.2
71.04990	100.0
79.05493	9.9
80.05853	0.5
81.07052	32.0
83.04990	1.6
83.08606	3.2
85.06539	3.0
87.36408	0.4
89.44781	0.5
91.05476	5.9
93.07039	14.5
94.07287	0.5
95.04979	1.7
95.08599	15.7
97.06523	2.8
97.10141	3.0
99.08114	1.5
100.11232	0.5
105.07019	3.4
107.04950	0.6
107.08588	6.7
109.06524	2.0
109.10184	1.9
111.08081	2.5
113.06005	0.5
117.06986	3.5
119.08598	1.8
121.06572	1.0
121.10146	3.1
121.10898	0.5
125.09641	2.4
129.07021	0.8
131.08562	4.5
133.10143	4.6
135.08063	1.8
135.11681	10.3
136.12039	0.4
143.08611	0.6
145.10191	0.9
149.09676	0.9
149.13258	5.5
153.09055	0.5
157.10136	0.6
158.97647	3.0
159.11684	7.6
160.09618	0.4
163.11220	0.6
167.00702	0.5
173.97955	0.5
175.14912	0.7
177.12776	2.1
185.13338	1.0
189.11295	1.4
194.26607	0.5
194.89369	0.5
195.13872	1.2
196.79924	0.4
209.15462	1.5
227.12579	2.6
227.14651	1.0
227.17979	2.1
228.00894	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	227.1639
Annotation	MKN-003C
Peak:m/z	Relative Intensity
50.07698	2.1
50.81470	2.4
53.03947	2.7
55.01854	5.6
55.05508	29.9
57.03435	15.6
57.07071	18.3
57.21760	2.1
65.03925	2.9
66.55975	2.1
67.05499	86.1
69.03423	3.6
69.07063	54.3
70.07829	2.5
71.04974	10.7
71.59014	3.9
71.59384	2.8
72.42422	2.4
75.00032	2.8
79.05051	3.9
79.05487	53.0
81.03402	4.2
81.07049	100.0
83.04980	11.6
83.08624	19.9
85.06528	8.7
91.05471	28.4
93.07030	71.9
95.04946	8.2
95.08606	28.9
97.06543	12.2
97.10148	11.5
99.08087	7.6
105.07036	10.3
107.07883	2.3
107.08591	39.5
109.10146	6.1
111.08073	10.8
113.09615	2.9
117.07026	13.7
119.08497	2.3
121.10152	20.4
125.09608	9.8
128.99182	4.6
129.07014	4.4
131.00778	4.5
131.08585	14.1
133.10124	15.0
135.11708	17.6
143.00690	7.3
143.08510	3.7
149.13235	48.4
157.02269	2.9
157.10161	4.0
158.97627	7.9
159.11684	27.0
160.02731	4.2
167.06969	2.6
171.11653	4.0
177.12730	11.4
185.13231	5.1
189.11238	6.1
195.13850	14.9
198.52831	2.4
227.12601	17.8
227.14659	2.7
227.17924	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	227.1278
Annotation	(?)-12-Hydroxy-jasmonic acid
Peak:m/z	Relative Intensity
52.37767	2.4
53.03926	3.9
55.01880	14.2
55.05511	84.5
56.96544	6.5
57.03436	11.4
57.07075	3.6
57.87014	2.0
62.70316	2.4
65.03914	2.8
67.05182	3.2
67.05506	48.3
69.03124	2.4
69.03436	20.0
69.07072	22.6
70.06573	6.2
71.04990	20.0
71.58833	2.7
72.08141	2.8
79.05490	47.8
81.03427	4.2
81.07053	31.9
83.04988	13.4
83.08618	36.9
84.08150	3.0
85.02893	3.1
85.06515	5.4
85.70270	2.3
86.09708	10.8
91.05480	38.9
93.07034	20.9
95.04971	10.6
95.08592	8.9
97.06510	5.5
97.10172	77.3
99.08074	2.8
100.11266	18.1
101.05943	2.6
103.05395	2.5
105.07029	33.8
107.04947	24.5
107.08598	40.5
108.05293	2.7
109.06521	11.2
109.10165	14.0
110.07111	3.2
111.04429	3.0
111.08064	5.6
113.05989	6.5
117.06995	7.4
119.04944	37.6
119.08525	6.6
120.05695	2.5
121.10098	9.1
123.08033	5.1
125.05965	3.0
125.09630	92.9
131.04887	4.3
131.08528	10.0
133.06505	24.3
134.99651	2.2
135.08061	10.6
135.11642	3.9
139.11197	2.6
143.08492	4.1
143.10631	4.5
145.10098	6.8
149.09631	12.8
151.11191	2.4
153.09100	5.0
163.11230	3.1
165.06982	4.0
167.10678	53.7
171.08093	2.3
171.10150	5.9
189.11209	34.8
191.10643	6.8
209.11765	6.6
227.07132	4.1
227.10506	10.7
227.12733	100.0
227.17639	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	227.1279
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03942	1.0
55.01865	2.3
55.05508	5.1
56.05018	0.6
56.96572	2.4
57.03424	1.4
57.07073	2.3
58.99572	2.6
65.03939	0.9
67.05506	9.5
68.05030	0.6
69.03433	0.7
69.07065	4.9
70.06580	2.0
71.04992	8.1
71.57706	0.6
72.08133	1.6
76.02232	4.8
79.05489	11.3
81.03416	1.2
81.07065	4.0
82.06580	0.6
83.04993	2.8
83.08622	2.4
84.04489	1.1
84.05787	0.4
84.08147	2.3
85.02885	0.6
85.06541	31.5
86.06020	0.5
86.09702	7.7
86.99042	2.3
87.04455	0.6
91.05477	8.6
93.07040	9.0
95.04976	6.0
95.08603	2.0
96.08157	0.6
97.03989	0.9
97.06516	2.2
97.10172	0.8
98.09686	0.9
98.13662	0.5
98.97464	0.5
99.04412	0.6
99.08084	2.3
100.11254	8.9
103.05451	0.6
103.95147	0.5
104.12045	0.5
105.00094	2.9
105.07025	8.6
107.04951	100.0
107.08586	11.0
108.08125	0.6
109.06513	2.0
109.10176	0.9
110.07195	1.5
110.09681	0.9
111.04430	4.8
115.05399	0.7
116.06220	0.7
116.07066	0.5
117.06992	2.6
119.04967	0.7
119.08582	5.4
121.06513	6.3
121.10146	6.6
122.02724	18.8
123.04438	1.3
123.08059	1.2
125.05976	2.4
125.09645	1.4
128.06229	0.8
129.07008	2.7
130.07779	0.9
131.08562	21.0
133.06479	0.6
133.10052	0.7
135.08020	0.9
135.11684	2.0
137.09613	2.3
141.14844	0.5
145.06468	0.8
145.10129	8.9
147.08060	2.2
149.05959	0.7
149.09615	20.6
153.05478	1.3
155.07050	0.6
163.11151	8.2
165.09087	3.7
167.07092	0.6
167.10670	11.0
173.09578	2.6
179.10669	0.6
181.06445	0.9
181.12189	0.6
182.15392	0.6
191.10674	16.6
192.97421	0.5
209.11734	14.9
209.13661	1.0
209.16348	1.1
210.14946	2.1
222.04428	0.9
227.08490	4.7
227.10455	1.5
227.12581	4.1
227.17615	1.7
228.16010	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1276
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
52.35220	1.2
55.01865	3.3
55.05501	13.9
57.03426	3.4
57.07064	6.8
65.03925	1.2
67.05498	31.8
69.03430	3.0
69.07055	13.3
70.50581	4.5
71.04984	20.0
73.59387	1.1
79.05048	2.4
79.05482	32.1
80.72744	1.1
81.03404	1.6
81.07042	11.3
83.04977	7.6
83.08606	2.9
84.04513	4.4
84.80688	1.2
85.06535	100.0
86.09723	1.6
87.04461	1.4
91.05467	21.5
93.07028	28.5
95.04953	7.5
95.06059	9.7
95.08604	5.6
97.06522	5.1
97.10165	5.8
98.06576	1.6
99.08084	5.4
100.11247	6.5
103.05443	1.4
105.07014	19.1
107.04934	11.1
107.08587	32.8
109.06494	4.3
109.10126	2.2
111.04417	11.7
112.08715	4.8
115.05464	1.2
117.06982	7.1
118.86899	1.4
118.98188	1.3
119.08585	18.1
121.06480	14.2
121.10139	23.3
123.04343	1.9
123.08024	2.2
125.05933	8.2
125.09636	6.0
129.06984	4.5
130.07791	1.3
131.08556	62.7
133.10144	3.4
135.08023	6.3
135.11705	8.1
137.05980	2.1
137.09644	7.1
139.07538	1.9
139.11198	1.6
143.08759	1.2
145.10107	25.1
147.08040	5.8
149.09607	66.2
149.13138	1.4
150.10184	1.4
151.11287	1.2
153.05441	2.7
155.07054	2.6
157.66658	1.6
163.07506	2.4
163.11163	24.5
163.14839	2.7
165.09120	10.6
167.07043	5.7
167.10657	25.8
173.09666	6.7
173.13223	2.9
178.09766	5.2
181.12192	1.6
189.11212	3.0
191.10657	54.3
191.14304	1.7
200.09312	1.6
209.11705	45.6
210.12193	1.3
227.10544	1.6
227.12776	25.6
227.17522	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1276
Annotation	(?)-12-Hydroxy-jasmonic acid
Peak:m/z	Relative Intensity
53.03928	3.0
55.01875	12.1
55.05511	32.1
57.03428	5.5
57.07055	9.3
60.90627	2.3
67.05505	29.8
69.03416	4.1
69.07069	26.1
70.13405	10.2
71.04977	4.3
73.02946	2.8
78.63806	2.4
79.05493	40.7
81.03402	2.8
81.07056	34.8
83.04970	7.5
83.08610	17.3
83.24888	2.5
91.05480	12.6
93.07041	52.4
95.04947	8.7
95.08601	60.1
97.02869	5.5
97.06473	4.3
97.10154	8.4
99.04429	7.5
100.11265	2.8
105.07008	10.4
107.04979	13.2
107.05587	3.0
107.08588	40.7
109.10132	4.3
111.04428	4.0
111.08070	3.4
117.07011	12.2
119.08568	12.4
121.06471	10.0
121.10136	20.4
125.05942	5.6
125.09592	5.2
133.10104	3.7
135.09473	2.5
135.11685	62.1
139.07526	3.2
145.10129	34.5
146.51378	2.9
158.97633	6.3
159.11685	4.0
163.11172	90.2
163.14806	3.2
171.11674	2.4
181.12221	16.1
183.81577	2.6
185.13184	3.1
189.11172	3.0
209.25150	2.5
223.65463	2.6
227.10474	5.8
227.12738	100.0
227.14894	5.1
227.17723	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1277
Annotation	Chloriolide
Peak:m/z	Relative Intensity
53.03926	0.6
55.01860	0.8
55.05503	4.1
57.03407	0.6
57.74752	0.5
67.05501	4.0
69.07055	2.0
70.10426	2.4
71.04988	0.6
73.02893	0.7
77.82977	0.4
79.05491	6.8
81.07049	3.6
83.04965	0.9
83.08607	2.1
84.97682	0.5
91.05446	1.7
93.07034	8.2
95.04936	1.0
95.08598	7.7
97.02858	1.1
97.10185	0.6
99.04450	0.8
105.07014	2.0
107.04945	2.1
107.08582	5.9
109.06496	0.6
117.06995	1.9
119.08569	1.5
121.06496	1.7
121.10158	3.1
122.99978	1.7
125.05977	1.1
130.07680	0.6
133.10078	0.6
135.11679	10.1
144.20772	0.5
145.10109	6.0
158.97626	100.0
159.18504	0.4
163.11166	14.9
181.12260	2.9
181.53098	0.4
189.11255	0.5
200.00255	1.4
201.23126	0.4
227.10516	0.9
227.12743	14.5
227.14908	1.0
228.00876	12.1
228.13109	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	(?)-12-Hydroxy-jasmonic acid
Peak:m/z	Relative Intensity
53.03957	3.1
55.01880	8.9
55.05507	37.7
56.96558	11.9
57.03435	6.7
57.07084	11.6
57.39832	2.2
59.04993	4.2
59.16154	2.0
61.10235	1.8
61.26513	1.9
67.05505	25.3
68.12267	2.7
68.99772	14.2
69.03427	10.7
69.07067	26.9
69.91069	4.4
69.91486	8.9
70.06583	4.3
71.04994	8.2
72.93799	6.6
73.33537	2.0
79.05482	21.6
80.05073	2.2
81.03378	2.0
81.07053	24.7
83.04982	22.2
83.08615	46.0
83.09109	2.9
84.08191	2.0
85.02908	3.3
85.06556	4.3
85.10184	4.7
87.97163	2.1
90.94829	5.1
91.05480	39.8
91.06001	3.2
93.07034	25.8
95.04969	36.9
95.08601	10.6
97.02886	2.6
97.06551	7.0
97.10186	5.8
98.21472	2.7
98.97585	6.3
99.04455	3.7
99.08115	4.3
100.11246	22.3
101.02407	2.8
103.05479	2.8
105.07006	10.5
106.22385	2.4
107.04964	8.9
107.08590	70.6
109.06524	34.5
109.10149	21.2
111.04440	20.8
111.08081	100.0
111.08857	4.9
113.87404	2.2
116.98687	4.9
117.07070	5.7
119.03456	7.9
119.08625	5.4
121.06512	6.3
121.10153	11.9
123.08103	5.9
125.09608	22.0
127.07582	2.4
128.06325	2.3
129.05403	2.5
129.07007	4.8
131.08617	7.9
131.97475	2.9
133.10135	6.2
134.99635	3.4
135.08029	15.7
135.11726	7.3
137.06010	7.9
142.07837	3.1
143.08537	3.8
144.04532	2.6
145.10115	5.8
147.11694	2.5
149.05980	2.9
149.09651	9.0
149.13316	3.2
151.07564	5.3
151.11211	7.7
153.07159	3.3
153.09106	59.9
153.10327	3.2
153.12662	11.8
154.09462	2.1
155.07072	6.2
158.97649	15.2
163.11127	10.3
167.07039	14.6
167.08440	2.9
167.10710	7.6
169.05484	4.0
169.08591	59.8
173.09673	3.2
177.05484	3.4
177.09161	2.5
179.08508	2.8
181.06616	2.8
181.12262	11.4
185.11765	15.3
185.13251	4.3
190.05988	4.7
190.56299	3.3
191.10715	6.4
191.14346	6.7
195.10159	38.0
201.56856	3.2
203.20897	2.2
209.11754	6.2
227.07072	5.8
227.10608	5.1
227.12778	8.3
227.14597	4.9
227.17810	6.5
227.19981	3.0
245.04710	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	227.0815
Annotation	Harman-3-carboxylic acid
Peak:m/z	Relative Intensity
55.05506	3.4
56.96558	2.9
57.07041	1.6
65.03927	0.5
67.05477	1.6
69.07066	5.6
70.06560	2.0
71.04958	1.2
71.30085	1.3
73.69992	0.5
79.05425	0.8
79.08699	0.5
81.07047	1.5
83.08583	2.0
84.08119	1.2
85.10162	0.6
86.09668	0.7
91.05460	1.7
91.78226	0.5
93.07016	1.3
95.04936	1.2
95.06112	0.8
95.08607	1.0
96.00591	1.7
97.06480	0.8
97.10132	2.1
98.97549	0.9
99.01373	0.6
100.11217	1.3
107.04937	1.1
107.08541	0.6
109.10165	0.7
110.07231	0.5
111.05542	1.8
111.77618	0.5
115.05393	0.9
116.07041	0.6
116.98610	0.8
117.05750	36.2
119.08608	0.5
121.06534	0.8
121.10095	0.8
129.07005	4.6
130.06516	40.5
134.99597	1.0
141.05693	1.7
142.06400	0.6
143.07292	22.3
148.07507	1.7
152.07028	0.8
154.06503	10.4
155.07205	1.5
156.08073	18.2
157.07593	19.5
158.06000	8.5
158.52457	0.6
159.06699	0.6
166.06462	0.9
167.07092	3.5
169.05219	4.8
170.05997	0.6
177.00693	0.6
181.04991	1.1
181.07561	10.2
182.05994	5.8
182.08369	4.6
183.05478	1.4
183.09177	10.1
185.07089	100.0
186.07556	0.9
187.06245	2.3
199.08717	1.4
200.07079	3.2
209.07065	8.1
209.12839	1.3
210.05171	1.4
227.08124	36.8
227.13895	1.3
227.15919	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.1
53.03943	11.4
55.01592	1.0
55.01858	2.1
55.05504	5.4
57.07054	3.1
59.66220	0.8
65.03930	1.1
67.05505	4.0
69.07059	4.6
71.25406	0.8
71.59754	1.1
77.03923	2.6
79.05478	2.3
81.03392	1.6
81.07038	2.1
83.08598	1.8
89.06026	26.2
91.05476	18.4
93.07037	41.6
95.04963	28.8
95.08594	1.2
97.10151	4.1
99.08081	2.1
100.11234	1.3
103.05457	14.3
105.04472	5.7
105.07027	1.6
107.08598	2.7
119.08588	1.1
121.06495	100.0
122.06879	1.2
125.09628	1.4
130.08733	1.1
133.08595	2.6
135.08049	1.2
139.07480	1.9
142.07692	0.9
147.08003	2.0
157.50128	1.1
163.11154	1.9
165.09108	11.2
182.62268	1.0
186.03082	2.6
189.11171	2.8
227.10631	1.7
227.12581	6.3
227.17873	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	10.5
55.01869	15.9
55.05509	15.6
56.05026	10.2
56.96565	15.9
57.03437	9.2
57.07067	4.3
58.06599	10.2
60.04528	13.4
61.02934	5.6
64.07768	4.6
65.03945	9.6
67.05495	14.7
67.71984	3.7
68.99782	7.1
70.06590	22.0
71.05000	5.9
71.33317	7.1
72.04501	4.8
72.08151	16.1
77.03906	4.7
79.05505	36.4
80.04993	4.8
81.03410	11.5
81.07050	28.4
82.06564	10.6
83.04991	9.2
83.08630	5.6
84.04505	13.3
84.08147	15.8
85.02901	7.4
86.06049	8.7
86.09698	11.2
91.05480	72.5
93.07029	20.0
94.06587	13.6
95.04967	22.4
95.08624	6.6
96.04496	6.3
96.81575	4.0
97.06532	6.1
98.09702	6.4
98.99991	4.2
99.04475	4.2
99.08109	4.8
100.11275	7.1
103.05479	34.2
105.07035	19.7
106.06584	4.9
107.04957	100.0
107.07409	4.9
107.08622	8.1
108.05306	11.2
109.02875	5.9
109.06493	4.6
110.06027	6.3
110.07251	3.8
111.04430	7.7
111.47732	4.2
112.11248	4.6
115.05438	6.9
116.10757	5.4
116.87366	3.8
116.98620	5.6
117.05727	3.7
117.07005	15.2
118.06536	6.4
119.04927	30.1
120.05597	34.8
120.08114	24.1
120.08881	6.2
121.02901	7.9
121.06515	41.4
122.06054	9.1
123.04440	40.1
124.07491	4.3
124.99968	4.8
125.09637	5.1
130.06540	5.4
131.04926	29.1
131.07280	6.7
131.97467	4.1
132.05299	7.3
132.08105	9.4
133.06491	15.0
134.06021	10.2
134.09621	6.3
134.99696	6.7
135.04434	9.0
135.08058	5.3
136.07588	16.8
137.05965	17.0
138.09140	4.6
143.04933	5.8
144.08096	8.3
145.06480	21.5
146.06001	7.2
147.04427	26.9
148.07576	77.1
149.01273	4.6
149.05978	49.4
149.08371	9.5
150.09135	11.6
157.00540	17.8
159.06805	6.3
160.07611	18.4
161.06042	5.6
162.09126	20.0
163.07552	5.1
163.92860	4.6
164.07062	15.2
165.05515	15.6
166.07401	5.7
166.08649	60.6
172.07582	5.8
173.05945	4.4
178.08623	18.3
179.08109	4.7
180.08873	14.1
180.10236	11.0
184.07394	12.0
190.08691	19.6
191.07083	4.6
198.14920	17.4
208.09908	29.0
209.08064	6.4
226.05182	18.3
226.09483	35.2
226.10796	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.1072
Annotation	Radicamine B
Peak:m/z	Relative Intensity
53.03943	10.5
55.01869	15.9
55.05509	15.6
56.05026	10.2
56.96565	15.9
57.03437	9.2
57.07067	4.3
58.06599	10.2
60.04528	13.4
61.02934	5.6
64.07768	4.6
65.03945	9.6
67.05495	14.7
67.71984	3.7
68.99782	7.1
70.06590	22.0
71.05000	5.9
71.33317	7.1
72.04501	4.8
72.08151	16.1
77.03906	4.7
79.05505	36.4
80.04993	4.8
81.03410	11.5
81.07050	28.4
82.06564	10.6
83.04991	9.2
83.08630	5.6
84.04505	13.3
84.08147	15.8
85.02901	7.4
86.06049	8.7
86.09698	11.2
91.05480	72.5
93.07029	20.0
94.06587	13.6
95.04967	22.4
95.08624	6.6
96.04496	6.3
96.81575	4.0
97.06532	6.1
98.09702	6.4
98.99991	4.2
99.04475	4.2
99.08109	4.8
100.11275	7.1
103.05479	34.2
105.07035	19.7
106.06584	4.9
107.04957	100.0
107.07409	4.9
107.08622	8.1
108.05306	11.2
109.02875	5.9
109.06493	4.6
110.06027	6.3
110.07251	3.8
111.04430	7.7
111.47732	4.2
112.11248	4.6
115.05438	6.9
116.10757	5.4
116.87366	3.8
116.98620	5.6
117.05727	3.7
117.07005	15.2
118.06536	6.4
119.04927	30.1
120.05597	34.8
120.08114	24.1
120.08881	6.2
121.02901	7.9
121.06515	41.4
122.06054	9.1
123.04440	40.1
124.07491	4.3
124.99968	4.8
125.09637	5.1
130.06540	5.4
131.04926	29.1
131.07280	6.7
131.97467	4.1
132.05299	7.3
132.08105	9.4
133.06491	15.0
134.06021	10.2
134.09621	6.3
134.99696	6.7
135.04434	9.0
135.08058	5.3
136.07588	16.8
137.05965	17.0
138.09140	4.6
143.04933	5.8
144.08096	8.3
145.06480	21.5
146.06001	7.2
147.04427	26.9
148.07576	77.1
149.01273	4.6
149.05978	49.4
149.08371	9.5
150.09135	11.6
157.00540	17.8
159.06805	6.3
160.07611	18.4
161.06042	5.6
162.09126	20.0
163.07552	5.1
163.92860	4.6
164.07062	15.2
165.05515	15.6
166.07401	5.7
166.08649	60.6
172.07582	5.8
173.05945	4.4
178.08623	18.3
179.08109	4.7
180.08873	14.1
180.10236	11.0
184.07394	12.0
190.08691	19.6
191.07083	4.6
198.14920	17.4
208.09908	29.0
209.08064	6.4
226.05182	18.3
226.09483	35.2
226.10796	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1483
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
52.89399	1.1
53.03939	2.4
54.44365	0.8
55.01875	2.3
55.05506	7.9
56.96549	1.4
57.03445	2.0
57.07077	5.7
58.10323	0.9
59.04992	11.1
61.02907	2.8
63.09753	1.0
67.05496	13.1
69.03427	13.5
69.07065	16.0
70.84945	3.0
71.04983	3.2
79.05489	14.2
81.03415	3.3
81.07048	21.2
83.04966	9.2
83.08587	6.1
84.04495	1.1
85.02887	1.5
87.04467	13.6
90.07607	0.9
91.05470	21.9
93.07032	44.2
95.04966	8.8
95.08599	19.0
97.02903	1.2
97.06525	7.4
99.04481	1.7
99.08134	1.0
101.05998	2.1
103.05480	1.2
105.03424	1.7
105.06305	1.3
105.07020	37.6
107.04955	4.7
107.08588	38.2
109.06519	13.5
109.10151	9.8
111.04459	1.3
111.08071	8.2
113.05949	1.2
115.05454	1.1
115.07544	2.0
117.07009	4.5
118.10387	1.0
119.04933	6.3
119.06132	1.2
119.07787	2.0
119.08569	25.0
121.06491	3.5
121.10141	11.4
123.04407	1.2
123.08062	14.4
123.11710	3.8
125.09563	1.2
128.06247	1.9
129.01041	1.3
129.07007	3.0
131.08562	4.5
133.06459	5.3
133.10114	11.4
135.08078	1.9
135.11653	1.9
137.05984	3.6
137.09557	4.9
139.11171	5.2
141.00934	1.5
141.07001	1.4
141.09119	3.7
142.87990	1.2
143.08553	5.4
145.06458	1.2
145.10120	4.3
147.04364	2.9
147.08017	7.9
147.11670	17.6
149.09607	6.7
151.07552	3.1
151.11169	100.0
151.95358	0.9
156.09340	6.6
159.11671	6.8
161.09602	6.4
161.13235	18.5
163.11182	3.0
165.09119	1.1
165.12682	1.9
171.11659	6.9
174.10406	3.2
175.03894	4.3
177.12782	4.8
179.14233	2.2
189.12744	17.4
192.04155	0.9
207.06537	4.7
207.13785	97.6
208.14137	1.3
224.57990	1.2
225.14900	16.9
243.10797	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03941	2.5
54.21699	2.0
55.01861	7.5
55.05509	14.0
56.60907	2.2
56.96555	9.1
57.03418	4.4
57.07072	5.9
59.04993	9.3
67.05506	21.3
69.03427	12.0
69.07068	15.4
69.32198	21.8
69.51904	2.5
70.06591	3.2
71.04992	12.7
72.08158	3.6
79.05132	2.6
79.05502	24.8
81.03405	7.8
81.07056	31.8
83.04978	18.7
83.08617	8.5
84.04514	3.3
84.08132	4.0
84.77637	2.1
85.06553	4.3
86.09686	4.6
87.04452	10.4
88.49956	2.2
91.05481	21.2
93.07049	41.6
95.04964	14.7
95.08602	24.8
97.06548	13.3
97.10143	2.3
99.04459	23.3
99.08094	5.4
103.05457	8.1
105.03382	11.7
105.07034	40.7
107.04961	33.6
107.08581	39.5
109.06526	23.0
109.10151	10.1
111.04430	7.8
111.08083	7.2
115.05502	3.7
117.07000	3.1
119.04984	4.6
119.08585	17.2
120.05567	3.0
121.02868	3.5
121.06530	3.0
121.10155	16.5
123.08058	24.2
123.11692	7.4
125.06088	2.4
125.09640	3.7
131.04921	32.1
131.08554	4.5
132.05696	4.6
133.06470	8.9
133.10150	11.8
135.08012	2.4
137.05995	5.0
137.09607	3.8
138.53047	2.8
139.11183	5.1
141.06982	7.0
141.09099	8.9
143.08562	4.1
145.10159	5.6
147.04462	4.7
147.08043	5.4
147.11684	13.9
149.09590	15.4
151.07538	3.7
151.09969	3.8
151.11185	67.0
153.06975	3.9
154.07747	3.9
154.92746	2.3
155.08539	3.8
156.09398	4.7
159.11740	5.9
161.09564	7.6
161.13248	16.1
163.11179	5.0
165.07001	6.0
165.09105	3.3
165.12788	6.5
167.08548	5.1
167.10555	5.2
169.06467	8.0
169.08607	3.1
169.10043	3.9
171.04857	3.1
171.11696	8.2
173.01317	2.4
178.07742	23.7
179.08574	39.4
179.14377	3.7
181.06496	15.4
182.07266	18.7
183.08011	4.4
183.13840	6.8
184.07347	3.1
189.07127	6.0
189.12735	21.0
195.08118	2.9
197.05951	16.3
197.09726	13.6
197.40320	2.1
206.07304	3.2
207.06235	4.3
207.08073	57.7
207.13797	89.3
208.08708	4.0
210.06764	21.9
225.05806	3.8
225.09111	100.0
225.14845	22.3
226.04929	2.9
226.07132	4.1
226.09610	11.4
227.03915	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	225.1486
Annotation	MKN-003A
Peak:m/z	Relative Intensity
52.52894	1.6
53.03927	3.0
55.01851	5.2
55.05506	17.1
56.96563	18.5
57.03425	3.0
57.06831	2.1
57.07072	26.5
59.04984	4.0
67.05504	21.5
69.03403	7.5
69.06723	2.7
69.07066	42.3
69.51102	8.9
69.51532	5.7
70.07847	1.9
70.82192	1.6
71.04992	14.1
72.93736	2.0
79.05495	25.0
81.03422	34.4
81.07056	30.4
83.04980	52.5
83.08621	12.0
85.02869	5.8
85.06519	6.3
87.04440	3.4
91.05479	21.9
93.06488	2.6
93.07040	36.8
95.04464	2.1
95.04971	27.5
95.08602	26.8
97.02872	3.0
97.06519	36.6
97.10124	3.6
98.21475	2.6
98.73250	1.9
98.99971	5.9
99.04459	19.3
99.08055	2.6
103.05434	2.5
105.03353	5.6
105.07027	28.0
107.04967	19.2
107.08591	20.6
109.02869	1.8
109.06522	14.9
109.10114	7.9
111.04388	2.6
111.08041	6.1
111.11648	2.3
113.06004	11.7
115.05380	1.9
117.06978	2.4
119.04939	2.9
119.08557	18.9
120.04439	11.2
121.06454	4.2
121.09312	3.3
121.10135	48.8
123.08064	35.4
123.11712	11.5
125.05986	78.1
125.09580	5.0
126.99434	3.9
129.01010	3.9
129.06969	6.5
131.08505	6.3
133.06436	3.9
133.07439	2.0
133.10109	9.0
134.99670	3.4
135.08044	3.1
135.11656	5.1
137.05977	2.2
137.09593	2.9
137.13289	3.6
139.07512	7.0
139.11136	6.4
141.00972	5.8
141.06943	2.8
141.88138	1.8
143.08517	2.8
145.10100	11.1
146.97401	2.8
147.04456	2.4
147.08017	4.7
147.11693	11.6
149.09619	14.2
150.75806	1.7
151.06439	2.5
151.07538	38.4
151.11159	1.8
155.02574	2.0
155.03708	2.1
157.00464	2.2
157.10043	5.7
161.13219	6.3
163.11176	100.0
165.12708	6.7
167.10612	6.0
169.08626	13.6
171.11652	2.0
171.97096	3.0
175.11116	3.1
179.08438	3.4
179.14194	2.2
181.12224	42.4
183.13770	4.3
189.12694	15.8
193.12186	10.4
197.09538	2.6
207.06538	2.1
207.13794	24.9
213.07915	5.1
225.07617	2.9
225.09225	3.8
225.12747	5.2
225.14793	66.2
225.16872	3.8
225.19547	2.4
226.08426	2.5
231.09006	5.8
243.09036	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	225.1483
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03928	4.4
55.01854	7.7
55.05503	27.1
56.96534	3.1
57.03423	5.2
57.07063	14.1
59.05000	14.8
60.78576	3.1
61.02635	4.6
61.02918	56.4
65.03933	2.7
67.05495	34.4
69.03421	45.2
69.06720	4.9
69.07062	72.2
71.04986	61.1
71.31598	5.4
73.06552	4.9
79.05132	3.2
79.05489	35.7
80.48350	3.2
81.03406	10.8
81.06576	3.7
81.07047	67.7
83.04976	21.3
83.08612	9.4
84.08176	2.6
85.02879	8.7
85.06525	7.8
87.04454	7.1
91.05466	45.4
93.07036	78.7
95.04960	21.4
95.08598	50.4
97.02898	2.9
97.06513	32.0
98.97559	3.5
98.99963	2.9
99.04414	9.8
105.03426	2.9
105.07020	100.0
107.04906	7.3
107.08590	53.9
109.05776	5.2
109.06507	76.1
109.10147	25.3
111.08071	14.7
113.06001	3.8
115.07555	47.3
117.06998	9.5
119.04901	3.7
119.08572	92.8
121.06496	19.0
121.10121	60.4
122.07265	5.6
123.04404	4.5
123.08065	36.0
123.11687	21.3
125.05936	2.8
125.09636	3.3
127.07481	3.6
128.06190	5.8
129.00980	3.1
129.06975	7.4
131.08545	14.9
133.06473	9.8
133.10104	51.8
135.08035	12.2
135.11717	15.7
137.05983	6.8
137.09595	76.7
137.13231	4.2
139.11131	9.8
141.06973	3.7
141.09064	7.8
143.08554	10.2
145.06444	4.6
145.10124	15.1
147.04410	3.5
147.08041	23.0
147.11668	73.5
149.09607	59.8
151.07507	17.5
151.11169	78.6
156.09329	21.0
157.00464	4.1
159.07999	11.0
159.11676	10.4
161.09599	21.8
161.13220	45.1
163.11209	18.8
165.09084	3.8
165.12762	18.7
167.10658	5.1
171.11673	23.2
174.10376	31.5
175.03871	5.7
177.12712	10.5
189.12720	67.8
207.06442	7.3
207.13802	39.9
225.11287	4.5
225.14828	53.1
225.16872	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	225.1485
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
55.05512	5.1
57.07072	6.5
59.04988	2.2
67.05494	3.5
69.07059	7.7
70.54323	1.1
70.54677	3.3
71.01346	2.6
71.04990	40.4
71.08649	1.1
79.05484	6.4
81.03428	1.2
81.07050	8.5
81.36400	0.9
83.04967	4.2
83.08612	9.0
85.02882	1.3
85.06525	1.6
88.93993	0.8
91.05447	4.5
93.07024	5.6
95.04975	2.3
95.08594	10.7
97.02842	1.0
97.06529	12.8
97.10160	1.2
99.04450	100.0
99.08071	2.7
105.07030	6.7
107.04943	1.6
107.08591	38.3
109.06507	26.1
109.10129	2.0
111.08043	1.9
111.11691	3.0
111.72330	0.8
113.09626	5.2
119.08562	3.7
121.06506	2.9
121.10134	12.1
123.08073	17.8
123.11699	19.4
125.09632	8.8
127.07509	1.6
131.08528	2.8
133.10095	0.9
135.11771	1.2
137.09584	1.9
137.13252	3.5
139.11177	3.9
141.09087	1.1
141.12738	2.3
147.11696	7.4
149.09605	10.1
151.07553	1.2
151.11090	1.3
161.13303	1.1
163.11171	1.0
165.12730	12.0
167.10672	25.5
171.11671	1.6
177.10516	1.0
179.14319	3.1
183.13797	44.5
189.12747	3.3
207.13792	11.3
212.10254	1.1
225.14848	15.0
248.54544	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1483
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
55.05494	30.7
57.07085	37.9
57.07298	9.5
57.41790	7.4
59.85591	8.3
60.11457	7.1
66.34660	7.3
67.05486	27.1
69.07061	75.8
70.75339	16.1
70.75673	15.6
74.41400	8.5
78.54708	7.8
79.05475	45.5
81.03373	7.7
81.07044	27.1
83.04955	22.8
83.08588	10.8
85.06526	10.1
85.74097	8.4
89.18688	8.2
91.05467	37.7
93.07030	47.6
95.04948	25.7
95.08589	21.4
99.04411	9.9
105.07031	17.1
107.08570	9.1
109.06464	10.4
109.10135	10.3
112.39993	9.2
119.08522	15.7
123.08075	11.4
129.01051	12.7
129.06985	13.2
129.72195	9.3
141.01021	14.9
141.09200	8.2
147.11699	37.9
151.33061	7.5
161.13251	12.4
171.11761	10.4
189.12697	8.2
207.13753	16.8
225.14775	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03921	2.7
55.05489	5.3
57.03426	3.0
57.07084	3.3
58.78281	1.7
59.04985	3.5
61.02920	56.3
65.03942	1.5
67.05505	9.8
69.03418	13.6
69.07055	21.0
70.71735	2.7
71.04990	19.7
73.06515	2.1
75.75031	1.6
79.05486	12.6
81.03384	7.3
81.07049	20.9
83.04970	9.3
83.08592	2.7
87.04455	3.2
91.05459	13.0
93.07034	20.6
95.04936	6.2
95.08600	19.3
97.06503	8.2
105.07023	35.7
107.08587	19.5
109.06512	32.8
109.10109	7.7
111.08070	4.1
115.07551	15.9
117.06989	3.6
119.08575	36.7
120.08112	19.1
121.06511	8.4
121.10136	23.2
122.07226	2.4
123.08064	20.2
123.08920	2.6
123.11711	11.6
129.06981	2.2
131.08551	4.1
133.06467	6.0
133.10114	13.4
135.08028	5.9
135.11678	4.3
137.09607	31.1
138.09108	3.8
143.08615	2.0
145.10062	7.0
147.04286	2.0
147.08043	9.7
147.11676	37.5
149.09607	29.7
151.07559	9.2
151.11165	19.3
156.09348	3.6
159.11664	6.0
161.09596	10.4
161.13248	13.1
163.11147	6.8
165.09132	2.1
165.12737	47.8
171.11682	8.8
174.10353	12.7
177.12790	8.1
180.10172	4.5
189.12712	18.5
207.13782	22.9
208.09726	2.8
225.14836	100.0
226.10741	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	225.1483
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
50.02434	1.2
53.03933	1.5
55.01858	2.0
55.05509	7.0
56.96549	1.9
57.03408	2.0
57.07063	6.6
59.04986	2.3
61.02916	20.7
65.03938	5.9
67.05492	9.7
69.03416	9.0
69.06716	1.7
69.07060	21.5
69.43401	5.4
69.43829	5.3
70.04071	100.0
70.06579	2.8
71.01353	1.5
71.04986	15.1
74.02428	3.7
78.45010	1.1
79.05486	11.3
81.03404	5.3
81.07049	19.1
83.04959	7.1
83.08610	3.7
85.02900	7.2
85.06519	2.2
85.82588	1.4
87.04444	3.7
88.03979	6.3
91.05464	13.1
93.03391	1.9
93.07035	19.8
94.04166	9.8
95.04939	8.8
95.08595	15.9
97.06526	9.2
98.97588	2.7
99.04442	3.4
99.08069	1.8
103.05435	1.4
105.07017	28.0
107.04956	2.9
107.08588	20.5
109.06500	22.8
109.10153	9.7
111.04424	7.6
111.08065	4.3
115.07544	7.8
115.43031	1.3
116.03390	1.5
116.98640	3.2
117.07002	2.7
118.06499	1.6
119.08559	24.0
121.06474	4.9
121.10133	19.5
122.07223	1.9
123.04394	3.0
123.08066	12.3
123.11671	8.8
125.09564	1.7
129.01018	28.0
131.08533	3.7
133.06476	5.2
133.10097	11.3
134.99693	2.0
135.08035	5.3
135.11662	4.0
136.84439	1.3
137.09595	20.1
137.13165	2.1
141.00980	2.6
141.07001	2.3
141.09077	1.5
143.08492	3.9
145.00520	2.3
145.10101	5.4
147.04375	1.9
147.08020	6.3
147.10510	1.9
147.11681	24.3
149.09607	18.8
151.07520	8.2
151.11169	23.5
156.09283	3.4
157.00555	2.1
159.08026	2.8
159.11678	2.7
161.09615	5.1
161.13260	11.0
163.11171	6.9
165.12749	15.6
167.11873	1.9
171.11647	6.8
174.10371	7.1
176.14290	6.1
177.12730	2.6
189.12727	18.4
207.06458	2.0
207.13799	18.6
220.90877	1.3
225.08980	2.3
225.12587	2.2
225.14774	36.3
236.65558	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
50.01605	0.8
53.03942	1.8
55.01867	2.6
55.05511	8.7
56.18967	0.8
56.96548	2.1
57.03439	4.3
57.07059	3.7
59.05001	10.1
61.02901	1.1
65.03942	1.3
66.82413	0.9
67.05505	12.4
69.03430	14.3
69.07071	11.4
69.40250	7.4
70.06593	1.4
71.01348	2.9
71.04998	4.2
72.08157	2.0
79.05495	14.2
81.03407	1.6
81.07053	21.4
83.04982	10.8
83.08644	5.6
84.08129	1.9
85.02874	1.1
85.06541	2.0
86.09681	1.6
87.04465	11.1
91.05479	18.2
93.07044	48.8
95.04979	9.4
95.08602	20.7
97.06532	6.9
97.10161	1.6
97.10987	0.8
99.04471	2.2
100.11241	0.8
101.06023	2.4
101.13460	0.7
103.05458	2.1
105.03378	2.9
105.04558	1.1
105.07031	40.4
107.04955	7.1
107.08594	34.4
109.05810	0.9
109.06528	14.0
109.10141	7.5
111.08083	6.0
113.05995	1.0
115.05402	1.2
115.07565	1.1
117.06992	4.9
118.98911	0.7
119.04959	2.1
119.08579	26.3
121.06499	2.5
121.10138	11.9
123.04406	1.1
123.08064	14.5
123.11695	4.5
125.09606	1.9
128.06207	2.1
129.06990	3.7
131.04935	3.8
131.08592	4.1
133.06488	5.8
133.10120	13.3
135.08044	2.1
135.11694	4.1
137.05960	3.9
137.09615	4.1
137.13239	3.2
139.07487	1.2
139.11180	6.1
141.06978	1.9
141.09077	2.8
142.07736	1.4
143.08545	5.5
145.06529	1.0
145.10127	5.6
147.08044	8.2
147.11684	14.6
149.09633	15.4
151.07635	4.5
151.11185	87.8
152.11467	1.2
153.12686	1.1
156.09367	7.1
159.11688	6.5
161.09622	6.0
161.13266	19.8
163.11174	3.9
165.09129	2.5
165.12718	1.6
171.11687	8.5
174.10387	1.9
175.03801	0.8
177.12718	3.7
178.07791	1.5
179.08539	4.0
179.10744	1.4
179.14320	3.7
181.06450	1.3
182.07243	2.0
189.12737	18.1
189.59416	1.0
197.05968	1.3
197.09631	1.0
207.08179	6.3
207.13802	100.0
208.14120	1.4
210.06731	2.0
225.09102	9.2
225.14799	14.3
226.09593	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0755
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
51.02383	1.3
52.64055	0.9
53.03937	2.5
55.05487	2.2
56.96553	1.4
57.03429	1.0
57.07074	6.2
65.03941	5.0
67.05489	3.1
69.03407	0.9
69.07058	10.7
69.54700	4.9
69.68242	0.8
71.04985	3.3
77.03914	2.4
79.05482	3.0
81.03416	2.0
81.07053	5.3
83.04979	1.6
83.08598	1.2
84.04504	1.5
85.02893	11.4
89.03909	1.4
91.05472	60.5
93.03375	0.9
93.07029	3.4
95.04948	7.0
95.08599	3.1
97.06531	0.9
99.00003	1.4
99.04442	3.3
103.05447	3.0
105.03374	2.2
105.07022	3.1
107.04945	3.3
107.08582	3.6
108.05717	1.2
109.06501	2.2
109.10145	1.9
118.04161	6.9
119.04930	63.0
119.08589	2.4
121.02869	2.5
121.10181	2.3
123.04421	3.5
123.08071	1.7
123.11707	6.8
125.05975	2.2
126.99458	1.8
129.01073	1.3
131.04897	1.4
132.02087	4.3
132.06447	1.1
133.02879	1.3
134.03658	1.1
135.04385	2.5
136.05220	1.5
137.05927	1.5
137.09596	1.3
141.00980	1.9
145.02780	1.1
146.03621	1.9
147.04393	49.1
147.08014	1.1
149.02316	8.9
149.09586	1.5
151.07520	1.5
155.06958	1.6
157.03949	3.4
161.13252	1.5
163.03850	1.2
163.11177	1.6
164.04666	7.0
165.05406	1.2
165.12793	1.4
174.03116	2.2
175.03888	82.7
176.04221	1.3
177.01849	2.1
179.07004	5.9
183.06503	3.0
192.04158	28.7
193.04774	1.8
207.06505	100.0
207.13826	3.7
208.07008	1.0
225.07112	1.3
225.09050	3.8
225.12839	1.1
225.14885	3.6
232.15199	0.9
248.18965	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.091
Annotation	4'-Hydroxychalcone
Peak:m/z	Relative Intensity
53.03932	2.5
55.01872	6.5
55.05496	3.1
56.96553	3.5
57.03428	3.3
57.07062	2.3
58.06594	1.0
63.56394	0.7
65.03933	2.2
67.05501	4.3
68.99787	1.6
69.03397	0.9
69.07050	2.9
70.06586	2.3
71.04973	3.1
71.58089	1.3
72.08150	2.5
72.26284	0.7
73.02916	0.8
74.47448	0.8
79.05495	4.9
81.03408	2.0
81.07045	4.7
83.04967	1.9
83.08611	2.2
84.04501	1.7
84.08131	3.3
84.18571	0.8
85.02879	1.8
85.06517	1.9
86.09690	2.4
86.95004	1.0
91.05475	12.7
93.07029	3.0
94.06558	1.1
95.04955	3.3
95.08607	5.1
97.02898	2.1
97.06524	1.1
98.97596	1.3
98.98455	1.0
99.04461	4.4
103.05482	4.8
103.11641	1.0
105.03403	5.0
105.07027	2.6
107.04955	34.9
107.08575	3.4
108.05270	0.8
108.93462	0.8
109.06528	4.1
109.10155	2.0
111.04415	2.0
113.05976	1.5
115.05458	1.1
116.98612	1.1
119.04954	10.7
119.08566	2.3
120.08079	0.8
121.02882	4.3
121.10139	1.9
122.76425	0.8
123.04473	1.8
123.08060	3.3
123.11661	1.6
124.99998	0.9
125.05952	1.0
128.06232	1.4
129.06995	1.5
131.04929	30.0
132.05727	1.2
133.10136	0.9
134.99655	2.0
135.08179	0.9
137.09644	1.8
140.10719	1.7
141.06987	6.1
143.08626	1.0
144.05704	0.9
147.04401	1.3
147.08022	1.2
147.11674	1.1
149.01237	1.6
149.09599	1.2
151.07562	2.4
153.06987	3.0
154.07785	4.6
155.05971	1.0
157.00540	1.3
157.06520	2.5
165.05769	0.9
165.06934	5.0
165.09137	1.8
167.08534	3.9
167.10655	1.0
168.05753	1.8
168.10269	1.6
169.06480	7.2
169.10182	2.4
171.28894	0.9
177.06897	1.2
178.07785	22.4
179.08554	36.0
181.06464	14.9
182.07269	12.2
183.08092	2.4
183.13802	1.3
184.07304	1.2
189.07019	5.2
189.08817	0.8
189.12686	1.4
192.05745	0.9
195.08115	2.2
197.05945	1.3
197.09641	6.7
201.00636	1.1
205.06531	1.6
206.07265	3.5
207.08052	83.7
208.08698	3.3
210.06757	15.2
225.09109	100.0
225.14854	2.2
226.04991	0.8
226.09435	1.7
227.03860	1.0
247.08446	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0756
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
50.01610	0.5
51.02386	0.9
51.32898	0.3
53.00313	0.4
53.03941	1.0
55.01873	1.4
55.05498	0.5
57.03452	0.7
57.07066	1.5
63.02382	0.3
65.03941	5.5
67.05499	1.2
68.99769	0.6
69.03421	1.1
69.07071	2.7
70.06573	0.9
71.04983	1.5
71.58945	0.3
71.59370	0.8
72.08141	0.3
73.02906	1.2
76.03133	0.8
77.03922	1.8
78.04687	0.3
79.05492	1.9
80.06258	0.7
81.03423	1.0
81.07043	1.9
83.04977	0.6
83.08604	0.4
85.02914	0.5
89.03885	2.3
90.04678	0.4
91.05475	67.0
92.05806	0.8
93.03425	0.6
93.07044	1.4
95.04967	6.5
95.08604	1.5
97.02887	0.8
97.06517	0.6
99.04457	1.4
103.05463	3.6
104.02577	0.5
105.03371	2.5
105.06393	0.4
105.07022	2.0
107.04938	2.3
107.08595	1.8
108.05724	0.9
109.06473	1.0
111.08086	0.4
111.62170	0.4
115.07543	0.5
117.03387	0.5
118.03367	0.6
118.04163	9.1
119.04935	68.6
119.08544	1.1
120.05273	0.8
121.02856	2.9
121.06500	2.1
121.10115	1.1
122.03678	0.7
123.04425	5.7
123.08061	1.2
123.11663	0.5
125.06001	0.6
125.09624	1.0
129.03342	1.0
129.04428	0.6
130.04117	0.4
131.01926	2.4
131.04926	1.3
131.08612	0.4
132.02057	4.9
133.02834	2.1
133.06509	0.5
133.10190	0.5
134.03638	0.9
134.05981	0.7
135.04410	2.7
136.05217	2.1
137.05957	1.0
137.09648	0.7
140.04672	1.1
141.01083	0.5
145.02791	1.6
146.03613	2.7
147.04399	54.5
147.11647	0.6
148.04854	0.7
149.02333	9.6
149.05980	1.6
149.09610	1.1
150.03098	0.7
151.03908	0.7
151.07613	0.5
151.11188	0.5
153.05408	1.1
155.07024	2.4
157.03986	4.9
161.09583	0.5
161.13254	0.7
162.03194	0.6
162.05484	0.8
163.03874	1.8
163.11125	0.4
164.04691	7.6
164.07042	1.2
165.05443	0.6
166.06198	0.5
169.03427	0.8
174.03133	1.5
175.03897	89.7
176.04309	1.5
177.01836	3.4
179.07011	6.8
179.08531	0.6
179.10550	0.4
180.06541	1.1
181.08574	0.9
183.06526	4.6
189.12776	0.9
192.04167	28.5
193.04906	2.0
207.06503	100.0
208.05905	2.0
210.04773	0.7
221.78276	0.3
223.06024	0.7
224.07166	0.4
225.03911	0.6
225.07101	2.5
225.09061	0.9
225.12396	0.4
225.14824	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.8
55.93541	0.6
56.05032	1.0
56.96572	1.6
57.07072	6.7
58.06593	0.9
67.05499	2.0
69.07062	11.6
70.07838	0.9
70.42801	2.2
71.04981	1.1
77.00916	0.7
79.05477	1.6
81.07062	1.3
82.99848	1.1
83.08572	0.6
84.04525	0.6
93.07071	0.6
95.04972	1.2
95.08596	2.1
99.00022	1.4
99.04446	1.7
100.02470	0.7
101.00865	5.1
105.03378	1.5
105.07043	0.9
107.08582	1.4
109.10208	1.2
113.01570	0.6
118.03502	1.4
119.01917	60.9
119.08546	1.0
120.02029	2.9
121.01679	0.6
121.10130	0.7
123.11696	1.0
126.99479	1.3
129.01047	2.2
131.03592	0.6
132.36960	0.7
134.99866	3.5
136.04541	1.3
137.02946	36.8
138.03040	1.4
140.98805	1.2
141.01007	3.1
142.03488	7.4
144.04990	1.0
153.00929	4.4
154.49136	0.6
155.02655	0.8
156.03288	0.7
158.06639	0.6
158.99873	4.1
159.06113	1.4
160.02837	0.8
160.04544	4.5
161.02942	2.1
162.06140	0.6
167.10587	1.1
175.02980	0.8
176.02548	1.4
176.04019	1.1
177.00946	100.0
178.01051	12.7
178.03729	1.1
179.00636	4.1
179.03975	2.9
182.99834	1.4
183.06194	1.1
184.04495	1.6
193.04060	1.7
195.01956	3.3
195.94382	0.9
196.02242	0.9
197.07303	1.1
199.50020	0.7
200.02513	2.1
200.05663	0.6
200.08824	0.9
201.00876	3.3
201.02530	1.6
201.07285	1.2
202.00926	1.2
202.02664	0.9
202.05495	1.8
207.13875	0.8
217.04076	9.2
218.03795	2.4
219.01987	85.7
219.94498	1.9
220.02104	19.9
221.01726	3.3
225.00687	3.2
225.09169	0.8
225.14830	0.9
237.03075	0.7
237.95518	0.9
240.05768	0.7
242.03619	2.6
243.01863	10.5
243.10823	0.6
243.19685	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	0.1
51.02361	0.1
53.00301	0.7
53.03939	0.5
53.99821	0.2
55.01857	0.2
55.05505	6.5
56.05840	0.1
57.07068	47.5
58.07397	0.4
59.04987	0.1
62.96390	0.2
63.02381	0.2
65.03934	0.9
67.05499	2.3
69.07059	100.0
70.07410	1.0
70.07835	13.5
70.58369	0.1
71.08183	0.1
72.98457	0.5
74.01589	0.1
75.00011	0.3
75.02357	1.0
77.01579	0.2
77.03892	0.3
78.04681	0.1
79.01850	0.2
79.05445	0.1
80.02631	0.1
81.03443	0.1
83.04990	0.1
83.08643	0.1
84.98434	0.1
85.06525	0.3
87.00007	1.4
88.97951	0.1
91.05469	1.7
93.03387	0.5
93.07043	0.1
94.04178	1.6
95.04340	0.1
95.04957	2.3
97.06519	0.2
98.99997	15.0
100.00320	0.1
102.04679	0.1
103.03117	0.8
103.05473	0.1
105.03381	0.3
105.04519	0.5
105.07037	0.2
107.04959	0.4
109.06508	0.3
110.99981	0.6
111.04431	1.6
113.01547	5.4
114.01949	0.1
114.99451	0.1
119.04928	0.5
119.05832	0.1
119.08558	0.2
120.05714	0.6
121.02883	0.1
121.03973	0.4
121.06504	0.2
125.01521	0.5
126.99453	18.5
127.03092	0.8
127.58141	0.1
127.99812	0.2
128.06195	0.1
129.01015	18.9
129.06975	0.1
130.01349	0.2
132.05649	0.1
133.06465	0.2
133.10094	0.2
137.01459	0.1
139.00563	3.7
139.03012	0.1
141.00999	25.0
142.01369	0.3
143.08539	0.1
144.09337	0.2
146.07243	0.2
147.08029	0.6
149.05891	0.1
153.04605	0.2
154.98935	0.2
155.02562	9.2
156.02931	0.1
160.05220	0.1
161.09625	0.9
162.10358	0.2
167.02550	0.1
168.02139	0.4
169.00467	0.1
175.07532	2.2
179.06174	0.2
181.04181	0.1
190.09860	2.1
197.07262	7.6
198.07600	0.2
225.06764	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	4.4
56.05032	3.5
56.96562	5.6
57.07074	2.4
60.04519	2.3
62.06087	1.6
65.03943	3.1
67.05506	2.7
69.03424	1.9
69.07056	1.9
70.06597	7.4
71.59453	2.3
72.08156	30.4
73.02923	2.0
74.02453	3.1
74.06075	4.1
79.05480	3.8
80.05003	2.7
81.03424	2.4
83.04977	2.2
83.06105	2.8
84.04519	2.5
84.08150	9.6
85.02914	2.6
86.06072	3.2
86.09703	4.1
87.04473	1.7
88.03979	2.4
91.05476	15.9
93.07030	2.5
94.06577	1.8
95.04974	4.2
95.06086	16.0
95.08584	2.0
97.02894	2.7
97.06541	1.7
100.07581	1.6
105.07026	12.3
107.04950	59.3
108.05310	1.9
110.06051	3.8
110.07178	2.1
115.05460	4.1
116.98576	3.0
117.05744	5.5
117.07031	2.2
118.06535	5.6
118.08652	20.6
119.04947	14.4
119.06809	3.0
121.02813	2.1
121.06466	2.8
123.04431	6.0
129.10263	1.8
130.06493	2.4
130.08644	1.3
132.08080	100.0
133.06491	3.1
133.07494	1.5
133.08437	4.6
134.06081	1.8
134.09595	2.0
134.99675	1.7
136.07559	23.0
137.06027	2.0
138.05470	1.7
147.04413	8.8
150.09128	1.5
160.07607	8.1
160.09599	3.2
161.05952	7.1
164.07024	3.5
165.05482	5.9
175.03880	10.5
178.04991	3.5
178.08589	82.0
178.09789	5.7
179.09087	1.5
180.10008	2.8
182.08147	3.9
188.09164	1.6
192.04173	2.6
201.00870	1.7
204.07883	1.7
206.08105	7.7
206.10048	3.4
207.06563	11.9
224.06754	5.1
224.09198	11.1
224.11093	4.2
224.13892	2.9
224.17363	1.6
225.12804	2.2
226.04228	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23423	0.4
57.07061	1.5
62.06779	0.4
69.07066	2.8
71.12124	1.0
82.72823	0.4
82.99841	1.0
95.04941	0.4
95.08598	0.5
100.02386	0.4
101.00858	4.4
105.03413	0.5
105.06136	0.4
105.06898	0.4
110.84771	0.5
113.57497	0.4
118.03501	0.5
119.01908	51.7
120.02032	1.6
121.01616	0.6
134.99858	3.2
136.04576	0.5
137.02945	29.7
138.02972	0.7
140.98805	0.5
142.03481	4.1
145.48703	1.0
153.00940	3.5
158.99844	3.6
160.02539	0.5
160.04553	1.9
161.02983	0.9
177.00934	100.0
178.01033	7.6
178.03732	0.6
179.00739	1.8
179.03990	1.7
181.02959	0.5
182.99928	1.2
183.06223	0.6
184.04480	0.9
193.04086	1.9
195.01924	3.1
200.02522	1.6
201.00822	3.8
201.02319	0.6
202.00870	0.6
202.05579	1.4
202.07294	0.5
217.04065	10.2
218.03653	0.5
219.01981	85.8
219.94580	0.4
220.02089	14.4
221.01938	1.4
225.00719	3.2
225.07181	0.6
225.09393	0.5
237.02921	0.6
242.03555	1.7
243.01926	12.2
243.10707	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0917
Annotation	Carboxysalsolinol
Peak:m/z	Relative Intensity
53.03934	2.2
55.01870	4.7
55.05502	7.5
55.38496	2.0
56.04461	1.8
56.96560	9.5
57.03448	2.9
58.06591	2.0
60.04512	5.2
62.02988	1.9
67.05494	7.7
68.05022	2.3
69.03442	4.9
69.07080	3.3
70.02908	2.8
70.06596	8.4
71.57848	2.8
72.08133	5.5
75.75620	1.9
79.05500	7.7
80.61481	1.9
81.03437	4.1
81.07053	4.0
83.04987	5.0
83.08614	2.7
84.04502	9.8
84.08143	8.6
85.02906	3.7
91.05489	22.7
93.07044	7.9
94.06557	7.8
95.04982	10.5
95.08629	5.2
96.04491	16.8
97.02841	2.6
97.10131	2.2
98.97594	5.6
102.05553	3.1
103.05508	2.2
105.07036	10.6
107.04963	27.0
108.04525	4.7
108.05757	3.3
108.08172	2.0
110.06061	3.8
111.04430	2.6
112.11206	3.1
115.05463	8.2
116.98600	4.1
117.05817	4.7
117.07017	9.2
118.06524	4.0
119.04949	13.6
120.08083	4.2
121.06490	10.3
122.06046	5.0
122.07100	2.0
123.04438	30.5
124.03943	2.1
126.05510	7.7
131.04886	4.6
132.05748	2.6
132.08095	24.8
133.05266	3.4
133.06488	13.7
134.05998	5.8
134.99641	3.1
135.04427	6.7
136.07574	5.0
137.05965	7.0
141.76292	2.3
143.04918	2.7
145.05316	3.6
145.06487	21.1
146.06029	7.2
146.99664	3.7
147.04424	18.9
148.07576	25.3
149.01239	2.9
149.02396	2.6
149.08372	100.0
150.09090	7.2
152.05957	4.4
153.92680	2.1
160.07590	66.9
161.05988	18.3
162.09117	6.9
163.03902	10.4
163.07481	7.0
164.07042	10.4
165.05487	6.7
173.04738	5.4
178.08652	15.2
178.12259	3.3
179.08521	5.1
179.69649	1.9
180.06609	4.7
182.07402	2.6
188.07069	32.5
189.05566	13.6
196.09665	5.1
206.08133	56.4
206.11806	5.7
207.06517	7.8
207.08206	5.1
212.32571	2.4
224.07179	4.3
224.09198	48.3
224.12820	2.6
224.16945	6.0
225.09120	6.6
226.04390	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	224.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45569	0.3
53.03935	1.4
55.01850	0.4
55.05498	0.4
65.03946	0.3
67.05502	0.4
68.99806	0.5
69.03417	0.9
69.07048	0.3
70.06576	0.5
71.60118	0.5
74.06090	0.4
79.05494	0.4
81.03399	0.6
84.08126	0.3
85.02884	0.3
86.06097	0.6
86.09651	0.3
87.04443	0.4
90.86588	0.3
91.05475	7.8
93.07037	10.6
93.07624	0.6
94.04118	0.4
94.07334	0.5
95.04951	2.1
97.06525	0.4
99.04476	0.4
103.05457	6.0
105.04522	0.4
107.04947	1.5
113.99561	0.3
117.07005	0.4
119.04939	1.3
120.02071	0.3
121.02846	1.3
121.06493	100.0
122.06817	1.6
123.04425	0.4
125.06020	0.5
126.06618	0.4
135.04384	1.0
135.08058	0.5
136.07542	0.4
136.12041	0.4
137.05940	0.8
139.47276	0.3
141.30910	0.3
146.05959	1.7
147.04416	0.8
149.02336	1.1
153.05385	0.3
160.11996	0.3
163.03908	0.8
164.07053	32.3
175.03888	0.9
181.04950	1.0
188.09178	0.5
194.93810	0.3
202.28069	0.3
206.08159	1.6
206.10139	0.7
206.12334	0.3
207.06487	1.1
209.04396	3.0
224.06789	7.5
224.09161	4.9
224.11246	0.6
224.13612	1.0
225.09047	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0916
Annotation	Carboxysalsolinol
Peak:m/z	Relative Intensity
53.03938	1.5
55.05513	1.9
56.05014	1.5
56.96572	5.2
60.04489	1.5
65.03924	1.3
68.05024	2.3
69.03432	1.2
70.06572	2.9
72.08147	7.0
74.02427	2.2
74.06075	2.4
79.05505	2.0
83.06105	1.1
84.04517	1.5
84.08146	4.7
86.06065	3.1
88.03992	2.0
91.05467	9.6
93.07072	1.8
94.06562	2.1
95.04964	2.7
95.06100	10.3
95.08581	1.1
97.02886	1.4
97.06558	1.4
98.06051	1.9
103.05437	1.2
105.07028	12.0
106.06586	1.4
107.04971	10.4
109.07548	1.3
110.06045	3.3
111.04469	1.4
115.05446	4.7
116.05676	1.2
117.05753	7.9
117.07036	1.1
118.06546	4.1
118.08645	3.0
119.04934	5.0
119.06884	4.2
120.95228	1.2
121.06487	4.4
122.06039	1.4
123.04403	2.6
126.63229	1.0
130.06551	3.0
132.08086	100.0
133.06479	5.3
133.07483	2.0
133.08388	2.2
134.09633	1.5
135.04401	2.8
136.07602	6.0
147.04396	4.2
149.02327	2.0
152.07141	2.0
160.07587	10.4
160.09547	4.4
161.01184	1.9
161.05949	5.7
161.07990	3.3
161.13304	1.1
164.07030	2.8
165.05489	3.1
171.03209	1.1
175.03931	3.8
177.10339	1.6
178.08609	68.7
178.10004	3.8
178.10269	4.5
178.10774	2.7
180.10059	1.2
192.04282	2.3
206.08162	7.0
206.10022	2.4
207.06520	5.8
207.08345	2.1
209.04402	1.8
219.03024	1.4
224.06799	4.2
224.09186	12.3
224.10980	2.2
224.17230	1.8
226.04263	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	224.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.3
56.96548	1.4
57.07074	1.0
58.06591	0.5
65.03926	0.7
66.19479	0.5
67.05505	0.7
69.07070	0.7
70.06587	1.6
70.78358	0.6
70.78713	1.0
71.04988	0.5
72.08142	1.1
74.06071	0.5
74.60517	0.4
76.44292	0.4
79.05483	1.0
81.07056	0.7
83.04977	0.7
83.06122	0.6
83.08624	6.6
84.08160	0.9
84.08968	0.6
85.02873	0.7
86.06078	0.4
91.05473	12.1
91.06004	0.8
92.05795	0.5
93.07063	2.2
99.87145	0.5
101.09674	1.1
101.89284	0.4
103.05479	3.8
105.03355	0.6
105.07014	1.1
107.04948	1.3
108.72791	0.5
114.06636	0.5
115.05518	0.6
116.04971	0.8
116.98566	0.6
117.05771	3.2
117.07043	0.8
118.04188	2.2
118.06541	10.5
119.04948	1.8
119.07342	2.7
120.08124	2.6
121.06506	10.7
126.06657	0.5
131.04939	1.5
131.97395	0.7
134.99687	0.6
135.04387	0.6
136.07573	1.0
146.06004	100.0
147.04425	2.2
148.07550	0.5
161.05986	2.2
164.07059	14.3
165.05455	0.7
166.09573	0.5
169.99030	0.6
175.03917	1.6
178.08624	49.3
179.07050	1.7
189.05527	0.6
192.06552	18.1
203.30014	0.5
207.04816	0.5
207.06416	2.2
209.04367	0.7
210.07617	21.3
211.07977	0.6
224.06819	2.0
224.09171	3.4
224.13315	2.1
224.17128	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1692
Annotation	Rumphellolide F
Peak:m/z	Relative Intensity
53.03949	1.6
55.01859	0.8
55.05513	7.5
56.96555	1.3
57.07077	1.3
65.03948	1.8
67.05505	47.9
69.07059	4.5
71.04985	0.7
71.60231	1.0
79.05492	17.6
80.06260	0.7
81.07056	100.0
82.07381	0.9
83.04993	1.9
83.08640	2.9
85.02901	0.9
85.06535	1.4
91.05476	4.0
93.07043	16.5
95.04973	2.7
95.08606	86.9
96.08942	1.8
97.06529	1.6
97.10175	0.9
98.39465	0.6
98.60690	0.6
104.60030	0.6
105.07063	3.3
105.07659	0.8
107.08591	14.0
108.04463	1.2
109.06513	1.7
109.10157	24.8
111.08113	1.5
113.67474	0.6
117.07011	1.0
119.08601	3.0
121.06487	0.8
121.10143	12.7
123.08068	2.5
123.11691	3.7
127.43201	0.5
129.07063	0.9
131.08565	5.0
133.10135	0.9
135.08043	1.9
135.11717	1.7
137.09656	0.8
139.07632	0.6
145.10127	5.4
147.11685	1.1
149.02293	3.8
149.09663	3.7
153.09108	1.0
156.31174	0.6
159.11700	1.7
161.13266	1.4
163.11191	1.5
163.14812	6.6
167.10646	1.4
177.16373	1.5
181.12309	0.7
187.14847	5.7
205.15900	2.1
218.07796	2.1
223.11208	0.7
223.13306	1.0
223.16872	10.4
224.07162	0.7
224.09274	0.7
225.04242	2.2
227.02197	0.7
233.28131	0.6
239.96492	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1692
Annotation	Saniculamoid D
Peak:m/z	Relative Intensity
52.40818	1.0
53.03951	7.0
54.55014	0.9
55.01866	3.5
55.05512	16.2
56.96555	4.0
57.03431	2.6
57.07072	2.5
65.03926	3.1
67.05505	41.7
69.03430	2.5
69.07066	11.5
71.04985	12.0
78.23654	1.0
79.05070	1.9
79.05493	23.1
81.03414	15.9
81.07058	65.9
83.04978	7.2
83.08622	9.7
85.02890	3.9
85.06527	3.7
91.05480	28.7
93.06479	1.5
93.07043	26.4
95.04968	100.0
95.08607	49.0
95.09071	0.8
95.09238	1.1
97.06539	10.4
97.10173	2.6
99.04450	1.9
99.08099	2.2
105.07033	20.7
107.04967	6.2
107.08598	17.3
108.04498	1.3
109.06523	9.1
109.10157	8.8
111.08064	4.1
113.09614	1.3
115.05481	1.3
117.06995	8.2
119.08583	15.3
121.06522	6.4
121.10156	12.9
123.08068	7.8
125.09649	1.3
129.07013	1.2
131.08563	9.7
133.10133	3.1
135.08066	3.5
135.11691	7.9
137.09657	1.7
141.07031	2.0
143.08514	1.2
145.06488	2.5
145.10126	12.8
147.08023	3.9
147.11687	36.1
149.02313	5.9
149.09607	2.1
158.99744	1.1
159.11697	6.3
161.09625	1.1
161.13225	2.3
163.11201	13.2
163.14810	4.4
165.06981	1.4
165.09036	1.5
165.12766	7.8
167.08536	1.7
167.10919	1.0
177.06906	1.4
177.12790	3.0
177.16423	1.7
181.15814	1.7
187.11156	5.1
187.14815	11.6
193.96414	1.1
195.08105	2.2
205.12253	3.3
205.15836	3.5
206.15474	1.2
223.05779	1.5
223.07538	3.2
223.11217	2.2
223.13348	17.8
223.16881	29.0
225.04280	4.3
227.02272	1.9
227.28334	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.169
Annotation	Rumphellolide F
Peak:m/z	Relative Intensity
55.01870	1.1
55.05504	7.6
58.70078	0.9
65.03930	2.5
67.05499	60.6
69.07069	6.5
70.85551	1.7
70.85898	1.6
71.04970	1.4
79.05486	13.8
81.03455	1.2
81.07048	96.5
82.07350	1.2
83.04964	1.9
83.08601	3.2
85.06532	3.1
89.30914	0.9
91.05457	5.9
93.07034	21.0
95.04948	3.3
95.08598	100.0
97.06538	1.6
97.10101	1.2
105.07027	5.2
107.08583	20.2
109.06516	2.9
109.10146	38.4
111.08028	1.9
117.07001	2.5
119.08583	4.4
121.06487	1.8
121.10130	21.0
123.08051	4.1
123.11710	5.7
125.09599	1.3
131.08546	8.1
133.10072	2.6
135.08023	4.1
135.11702	4.7
137.09529	1.3
139.07578	1.2
145.10118	9.0
147.11641	2.3
147.21828	1.1
149.02348	2.0
149.09578	5.1
153.09070	1.8
159.11700	3.2
161.13223	3.7
163.11189	2.8
163.14821	12.0
167.10669	1.8
177.12677	1.0
177.16467	2.0
181.12238	2.3
187.14801	16.8
196.17287	0.8
205.15877	10.0
223.06126	3.0
223.11313	1.3
223.13240	2.3
223.15114	1.1
223.16891	23.7
223.20280	1.1
225.04308	6.5
227.02171	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	223.1329
Annotation	Dehydrovomifoliol
Peak:m/z	Relative Intensity
53.03948	1.4
55.01855	2.6
55.05510	5.3
57.03408	1.3
57.07068	2.0
61.44255	0.9
67.05491	4.9
69.03410	3.7
69.07054	4.0
70.06573	2.5
71.04987	8.8
71.49516	1.8
72.08156	2.0
79.05499	8.7
81.03425	2.3
81.07059	20.7
83.04980	4.8
84.08139	2.2
85.02897	1.6
86.09702	1.4
89.80622	1.2
91.05460	8.9
93.07043	21.6
95.04970	3.7
95.08606	17.8
97.06519	5.1
99.04459	28.6
99.05099	1.5
103.05450	3.5
105.07028	19.9
107.04931	1.6
107.08597	22.8
109.02914	2.0
109.06547	5.3
109.10133	1.4
111.04476	1.6
111.08082	3.4
117.07023	4.6
119.08579	18.9
120.08112	21.4
121.06503	3.9
121.10147	47.2
122.20522	1.2
123.08066	39.5
123.08959	2.1
123.11710	4.9
124.08831	2.3
125.06001	2.0
125.09624	8.7
129.10258	1.2
130.07822	2.1
131.08542	4.3
133.10141	13.5
134.16280	1.1
135.08060	4.3
135.11684	25.3
136.64360	1.4
137.09608	2.2
143.08537	1.5
144.09323	3.7
145.10129	21.5
147.08017	3.1
147.11685	2.0
149.02347	4.7
149.05946	1.9
149.09625	3.5
149.13297	2.7
153.09106	8.2
159.11702	26.4
161.09636	3.3
163.11185	23.1
165.09137	3.9
166.08636	3.8
166.85358	1.1
167.05609	1.3
172.08899	1.7
175.08762	1.4
175.11171	4.5
177.09123	2.1
177.12752	13.5
179.10818	1.4
181.12300	3.7
187.11203	6.1
193.12253	3.2
200.85312	1.2
205.12236	15.3
223.13306	100.0
223.16922	6.3
224.13583	3.5
225.04291	17.6
227.02242	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	223.1692
Annotation	Rumphellolide F
Peak:m/z	Relative Intensity
51.02374	0.8
53.03945	3.7
55.01880	3.6
55.05513	9.9
56.96568	12.1
57.03437	3.6
57.07077	0.8
65.03933	1.6
66.61689	0.6
67.05505	48.7
69.03419	1.4
69.07068	6.8
70.06596	1.8
71.05000	2.3
71.59147	0.9
75.91146	0.6
79.05491	22.8
81.03419	6.7
81.07057	100.0
83.04987	6.5
83.08602	3.7
84.60421	0.7
85.02903	2.4
85.06531	1.6
91.05463	11.1
93.07043	22.6
94.04200	1.9
95.04970	26.2
95.08607	91.1
97.06545	3.7
97.10191	1.1
98.97579	1.1
99.08069	1.1
105.07041	6.9
107.04951	4.2
107.08598	15.8
109.02940	0.7
109.06545	3.6
109.10155	25.7
111.04432	1.5
111.08070	2.6
113.06045	0.8
117.07013	6.2
119.08585	3.4
121.06498	2.2
121.10139	10.1
123.04423	0.7
123.08069	2.8
123.11717	3.1
125.05975	1.8
125.09592	0.8
127.07549	0.9
129.07037	1.6
130.07782	0.7
131.00174	1.6
131.08574	7.9
133.10132	2.4
135.08051	3.1
135.11696	4.0
137.06006	0.7
139.07594	1.7
141.07011	0.7
143.08554	1.0
145.10133	6.1
147.08057	0.8
147.11652	1.1
149.01219	6.6
149.02357	3.8
149.09605	3.2
149.13214	0.9
149.18408	0.7
153.09076	1.0
153.12755	2.1
159.11722	4.5
161.09650	1.5
161.13257	1.9
163.11172	4.1
163.14848	3.4
165.07092	1.4
167.02261	4.5
167.08545	0.8
167.10672	1.7
169.10181	0.8
177.00795	1.0
177.12758	2.7
178.05032	0.7
178.12837	0.7
181.12341	0.8
183.08603	2.2
187.11183	2.4
187.14870	5.1
192.09071	1.3
195.08009	1.3
200.06737	0.7
205.12224	4.2
205.15933	1.8
212.10469	0.7
218.07787	1.1
223.05891	1.6
223.07672	1.9
223.11301	1.4
223.13304	32.3
223.16837	12.0
225.04276	4.1
227.02167	1.6
237.45039	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1328
Annotation	Dehydrovomifoliol
Peak:m/z	Relative Intensity
51.57843	1.6
53.03934	4.7
55.01868	4.8
55.05512	10.1
55.44598	1.6
56.96564	8.2
57.03426	2.0
57.07059	4.9
57.11126	1.8
59.05000	2.0
60.05656	1.8
63.44300	1.6
65.03938	3.8
66.48216	1.6
67.05506	13.9
69.03432	20.7
69.07055	5.7
70.06594	10.8
71.04969	3.4
71.59003	2.4
72.08154	2.0
79.05498	12.0
80.05002	2.6
81.03396	4.9
81.07054	19.4
83.04990	14.0
84.08128	5.6
85.02868	3.6
87.04465	27.8
91.05469	26.4
93.07040	24.7
95.04962	16.3
95.08615	10.5
97.02892	2.3
97.06515	5.2
98.71922	2.1
98.97566	3.8
99.04449	3.7
101.02351	3.8
103.05480	2.6
105.07021	12.2
107.04951	13.1
107.08589	14.6
108.04456	6.6
109.02843	2.8
109.06507	53.2
109.10151	9.0
110.03541	1.9
110.07289	2.8
111.04457	3.2
111.08069	6.4
115.05416	2.0
116.98608	2.8
117.07010	3.4
119.06054	3.1
119.08578	11.3
120.08092	5.0
121.02761	1.8
121.06502	100.0
121.10133	13.2
122.07256	7.2
123.08060	7.6
123.11706	2.7
125.05988	3.4
125.09618	4.5
130.07764	2.0
131.05031	2.1
131.08559	5.5
133.10139	4.6
134.99617	1.7
135.08035	5.4
135.11697	6.1
137.09610	88.6
139.03893	3.4
139.07535	6.4
144.09335	2.0
145.06514	3.2
145.10104	6.5
146.99672	2.5
147.08057	3.0
147.11726	2.9
149.02327	10.4
149.05981	10.1
149.08498	1.8
149.09633	9.0
152.06166	2.2
153.01799	4.7
159.11685	7.4
161.01260	2.0
161.09607	3.1
163.03917	1.8
163.07562	4.9
163.11171	12.9
165.07014	2.5
165.09032	3.5
167.05705	2.7
167.07100	3.1
167.08545	2.5
171.02931	4.5
175.11220	2.7
177.12741	10.0
178.05035	2.0
181.12170	1.9
187.11162	4.8
193.12251	2.7
194.07387	2.3
195.08073	6.0
205.12216	10.1
208.08783	2.4
223.05705	2.5
223.07520	8.1
223.09479	3.5
223.11169	6.1
223.13286	20.7
223.16901	12.7
225.04324	17.4
227.02234	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	223.1329
Annotation	Dehydrovomifoliol
Peak:m/z	Relative Intensity
55.01866	2.4
55.05500	3.5
57.03415	1.4
57.07053	2.6
65.00273	1.2
67.05491	5.5
69.03419	2.7
69.07053	3.4
70.06573	4.5
70.09309	6.1
71.04983	11.7
72.08126	1.3
79.05476	7.7
79.18322	1.1
80.05025	1.0
81.03417	1.7
81.07053	19.3
82.34805	1.1
83.04971	5.0
84.08126	3.4
85.02877	1.1
85.06554	1.7
91.05452	7.5
93.07040	20.6
95.04961	4.4
95.08614	19.5
97.06513	4.0
98.20823	1.2
99.04456	27.1
99.59310	1.2
103.05462	2.7
105.07041	17.0
107.04958	2.5
107.08590	24.3
109.06523	4.4
109.10143	2.2
111.08065	4.8
115.05424	1.8
117.07004	3.5
119.08573	17.7
120.08099	17.3
121.06483	3.3
121.10139	44.0
122.10855	1.2
123.08065	37.2
123.11688	4.9
124.08844	1.5
125.06025	2.1
125.09599	8.0
129.10252	1.6
130.07819	1.5
131.08545	4.1
133.10127	12.1
135.08060	5.3
135.11694	24.6
137.09642	2.4
139.07510	1.5
144.09331	3.6
145.10100	23.0
147.07999	1.9
147.11690	3.5
149.02325	3.9
149.05920	1.2
149.09566	2.1
149.13229	2.7
153.09108	7.4
159.11688	25.3
161.09612	2.1
161.13208	1.4
163.11177	25.5
165.09137	2.6
166.08696	1.7
167.05708	1.8
167.10625	1.5
175.11212	3.7
177.12758	12.7
181.12199	3.6
184.70816	1.2
187.11151	6.6
188.44638	1.2
193.12224	2.5
205.12250	12.8
223.13292	100.0
223.16920	4.4
224.13571	2.6
225.04309	15.5
226.04340	1.1
227.02220	7.4
232.86494	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1328
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
53.03942	44.0
54.11674	1.2
55.01865	11.0
55.05507	14.5
56.96568	6.4
57.03437	2.7
57.07068	2.7
59.04999	2.6
65.03946	3.3
66.28392	1.2
67.05499	70.8
69.03419	4.9
69.07056	10.9
71.01327	1.8
71.04986	5.0
71.59256	1.7
71.59660	2.5
72.93779	1.6
74.60008	1.4
79.05486	36.8
81.03412	100.0
81.07050	65.0
83.04974	15.0
83.08612	5.7
85.02889	3.4
85.06526	2.4
90.94815	1.6
91.05466	26.5
93.07034	42.0
95.04963	45.4
95.08600	42.6
97.02833	1.6
97.06523	5.1
97.73036	1.6
97.96206	1.4
99.04447	3.0
102.20174	1.3
103.05457	2.6
105.07023	16.0
107.04953	24.3
107.08587	18.2
109.06515	7.3
109.10152	5.7
111.04452	2.3
111.08073	5.9
115.05440	2.1
116.98657	1.5
117.07001	16.4
119.08580	13.6
121.06493	13.0
121.10161	7.0
123.04450	3.3
123.08059	28.5
123.11687	1.9
125.06040	2.2
125.09657	2.3
128.06204	2.6
129.06992	4.3
130.07632	1.6
131.05017	1.8
131.08566	15.9
133.06503	3.1
133.10101	7.2
135.08052	4.3
135.11679	18.1
137.09583	1.7
139.07558	3.0
141.06992	10.2
143.08580	4.5
144.09331	2.1
145.06474	14.4
145.10129	7.9
147.08125	2.1
149.02356	2.8
149.13283	5.7
153.09064	1.7
153.12794	1.9
154.07782	2.0
159.08089	3.9
159.11681	17.4
163.11125	9.4
165.09137	2.8
165.12766	1.4
167.02280	1.4
167.05620	2.1
167.07077	1.5
169.10139	7.7
176.98470	2.1
177.00713	3.0
177.12729	10.6
181.12265	2.1
187.11174	10.7
193.10217	2.1
194.10782	1.5
194.94571	1.4
205.12201	10.5
208.03656	3.2
208.08838	4.4
208.12234	2.1
211.14084	1.6
219.87532	1.4
220.54836	1.4
223.05913	7.6
223.11229	8.6
223.13156	37.8
223.16946	7.6
225.04189	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	223.1327
Annotation	Placidene C
Peak:m/z	Relative Intensity
51.05199	0.2
52.85755	0.2
53.03934	0.7
55.01863	1.7
55.05507	7.0
56.96553	0.7
57.03423	0.3
57.07058	0.3
59.04991	0.2
65.03926	0.6
66.04716	0.6
67.05498	6.2
69.03413	0.5
69.06720	0.3
69.07063	5.4
69.67600	1.7
71.04969	0.9
73.32097	0.2
75.67600	0.2
77.32304	0.2
78.12228	0.2
79.05051	0.3
79.05482	4.4
81.03410	10.3
81.07050	4.7
82.03738	0.2
83.04963	1.1
83.08614	2.9
85.02874	0.3
85.06523	0.5
87.04433	0.2
87.08115	0.5
89.89215	0.2
90.94846	0.2
91.05475	3.1
93.07031	3.5
94.04181	4.1
94.65578	0.2
95.04959	16.1
95.08598	2.9
97.02900	0.2
97.06504	0.7
99.04474	0.3
105.07018	1.8
107.04943	5.8
107.08593	1.7
109.06517	1.7
109.10146	0.6
111.08067	0.6
113.96392	0.3
117.07014	1.2
119.08578	1.4
121.06490	1.1
121.10109	1.1
123.08052	1.5
129.07001	0.3
131.08554	1.2
132.11461	0.2
133.06465	0.2
133.10130	0.7
135.08012	0.9
135.11659	0.6
139.07562	0.3
141.07089	0.3
143.08580	0.6
145.10107	0.8
147.08121	0.3
147.11632	0.5
149.01180	0.4
149.02345	0.3
149.09575	0.5
149.13248	0.3
159.11668	0.6
161.09666	0.3
161.13216	0.3
163.11111	1.1
177.12762	0.5
181.10173	0.2
187.11090	0.3
193.10153	0.5
193.48270	0.2
205.12195	1.5
205.15875	0.7
223.13260	100.0
224.13567	2.6
225.04181	0.2
235.49931	0.2
244.74002	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1327
Annotation	Placidene C
Peak:m/z	Relative Intensity
53.03944	3.0
55.01854	2.5
55.05508	9.2
56.35408	0.6
56.96560	2.9
57.03424	1.3
57.07063	2.6
57.74822	0.5
59.20831	0.6
65.03923	1.8
66.60925	0.6
67.05500	18.0
69.03410	1.8
69.07063	8.9
70.04043	0.7
70.85361	0.6
70.85703	1.5
71.04975	1.9
71.08596	0.7
74.93156	1.2
79.05045	1.2
79.05487	11.8
81.03413	14.5
81.07054	22.2
83.04979	5.5
83.08616	4.0
85.02921	3.9
85.06562	1.4
91.05477	10.7
93.07040	12.0
94.04188	4.7
95.04966	22.5
95.08598	15.1
97.02901	1.2
97.06502	2.0
97.10194	0.7
98.03529	1.7
99.04401	0.7
99.08056	0.8
105.07036	6.1
107.04264	1.0
107.04945	9.3
107.08582	4.8
109.02789	0.7
109.05862	0.6
109.06505	3.6
109.10104	2.7
111.04420	1.9
111.08103	1.5
112.41199	0.6
113.05991	0.7
115.05423	0.9
117.06992	6.2
119.08593	2.7
121.06501	3.4
121.10131	3.3
123.04402	1.1
123.08038	3.0
125.05976	1.6
128.00252	0.9
128.06161	0.9
129.06993	0.7
131.08572	5.9
133.10095	1.8
135.08052	1.1
135.11691	3.1
141.06929	0.7
143.08537	0.9
145.06459	0.8
145.10077	3.3
147.11734	0.7
149.01221	0.9
149.02338	1.4
149.09616	1.0
149.13260	1.1
151.11186	0.7
151.68384	0.6
153.05449	2.8
159.08032	0.9
159.11661	4.9
161.09570	1.0
163.11180	2.1
169.10120	1.4
172.00246	0.8
174.01903	0.8
177.00787	0.8
177.12779	3.9
181.10011	0.5
184.53813	0.9
187.11182	2.4
187.14828	0.8
205.12210	6.8
205.15747	1.1
208.03644	0.7
208.08607	0.7
209.81660	0.6
223.05939	1.8
223.13277	100.0
223.16875	3.2
224.13557	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	223.1328
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
53.03930	4.5
55.01868	8.0
55.05499	13.0
56.96566	5.0
57.07051	3.5
59.04988	8.9
67.05498	20.8
68.99784	3.6
69.03423	22.9
69.07051	12.1
69.86435	17.0
71.04985	8.5
72.08134	4.7
79.05481	25.7
81.03407	7.6
81.07040	17.8
81.76487	3.5
83.04974	39.3
83.08617	5.7
84.08145	8.7
85.02895	7.4
85.06555	4.2
86.09716	5.9
87.04485	3.7
89.78960	3.6
91.05468	55.8
93.07040	100.0
94.06534	4.3
95.04948	27.6
95.08610	26.6
97.06534	9.7
98.21531	3.4
98.97569	6.5
99.04456	8.2
103.05472	6.9
105.07028	37.2
107.04936	21.5
107.08598	42.7
109.06532	19.4
109.10167	5.7
111.04429	4.6
111.08078	15.8
111.94076	3.5
113.06022	7.6
116.98602	3.5
117.07033	19.3
118.06561	4.6
119.08596	29.5
120.08044	4.0
121.06499	80.8
121.08450	4.5
121.10126	46.9
123.04429	4.7
123.08071	17.7
125.09631	12.7
127.07515	3.9
129.07021	4.6
130.06528	17.3
130.07808	3.8
131.04941	4.6
131.06863	52.5
131.08553	18.6
133.04764	7.2
133.10127	18.0
135.04427	11.9
135.08054	21.4
135.09381	3.4
135.11623	19.7
136.07614	4.6
137.05963	4.9
137.09599	11.0
139.07539	20.4
142.07703	3.6
144.09305	5.8
145.06439	6.4
145.10109	27.8
146.97450	3.7
147.04408	4.9
147.08034	10.3
147.11746	5.7
149.02324	8.9
149.05949	5.9
149.07945	11.3
149.09599	58.2
149.13228	8.6
149.42790	3.7
151.11230	4.5
153.09105	17.9
157.10123	9.0
159.06345	16.1
159.08044	5.0
159.11711	36.8
161.09624	15.9
162.03140	5.5
163.03915	5.2
163.07643	4.9
163.11131	27.9
165.09119	16.6
167.05574	4.7
172.08817	6.6
175.11182	20.5
176.07011	3.6
177.07442	47.1
177.12733	25.7
179.10664	14.5
181.12196	6.5
187.11150	24.9
190.02625	4.4
193.12201	6.6
205.12230	54.3
208.03552	5.2
209.04431	5.9
223.05995	25.0
223.07899	7.1
223.13298	96.1
223.16922	13.0
225.04233	7.6
227.02177	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	223.1327
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
51.56440	1.6
53.03935	2.8
55.01857	2.9
55.05503	12.0
56.96550	4.3
57.03411	3.2
57.07049	1.9
59.04979	2.6
67.05501	8.4
69.03423	10.1
69.07050	5.8
70.06575	3.0
71.04984	17.4
71.60203	1.9
78.49308	1.7
79.05486	9.8
79.91962	1.6
81.03401	5.0
81.07050	15.3
83.04969	12.8
83.08582	2.5
84.08146	2.8
85.02905	14.5
85.06528	2.9
86.09672	1.9
91.05469	17.0
93.07037	31.9
95.04950	15.5
95.06041	1.8
95.08586	13.7
97.06506	4.5
97.10137	5.5
97.10703	1.5
98.06030	2.7
98.97617	2.3
99.04443	4.2
103.05487	2.8
105.07011	18.4
107.04929	6.8
107.08582	18.6
109.02840	1.8
109.06535	9.0
109.10155	4.5
111.08067	10.3
113.06005	2.2
114.74326	1.8
117.06995	7.2
119.04909	2.7
119.08562	14.7
120.08102	8.9
121.02825	2.1
121.06489	28.0
121.10117	25.0
123.08055	15.9
125.05989	3.8
125.09623	17.6
127.07607	2.0
129.06975	4.3
130.07770	2.4
131.08542	6.2
133.06500	2.1
133.10114	7.9
135.04468	1.9
135.08043	10.5
135.11694	10.6
136.07520	1.7
137.05864	1.6
137.09616	8.5
139.07527	5.3
139.11182	2.1
142.07782	2.4
143.08542	2.0
144.09291	5.3
145.06505	2.2
145.10115	9.6
147.08095	7.4
147.09077	1.6
149.02338	2.6
149.05934	4.5
149.09602	100.0
149.13127	3.9
151.11195	3.1
153.09085	6.5
157.10133	6.3
159.08005	2.2
159.11647	22.9
161.09616	5.0
162.03102	2.6
163.03935	2.0
163.07553	4.1
163.11153	16.6
165.09074	7.7
167.05710	1.8
167.06990	3.6
167.08459	1.5
172.08804	5.8
175.11180	14.9
177.09013	2.6
177.12695	14.2
179.10660	2.4
181.08476	2.2
181.12241	2.9
187.11154	22.6
193.12187	2.7
194.45848	1.7
195.08086	2.3
195.13821	2.8
205.12224	30.7
208.03696	3.1
223.05882	7.7
223.09721	2.5
223.11157	3.4
223.13278	64.8
223.16566	10.0
225.04350	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1327
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
55.01868	7.7
55.05491	11.2
57.03424	4.1
57.07067	5.6
59.04987	8.9
67.05502	19.6
67.80155	3.1
69.03424	17.6
69.07055	12.7
69.99233	2.4
70.14535	11.4
71.04984	7.5
79.05475	17.0
81.03415	5.0
81.07053	17.9
83.04971	29.1
83.06101	2.9
83.08618	2.7
84.08148	3.0
85.02865	3.6
87.04483	3.8
91.05469	36.5
93.07038	68.9
95.04974	23.6
95.08592	27.8
97.02885	2.9
97.06518	11.1
98.21390	4.4
99.04430	7.8
103.05470	5.1
105.07032	24.4
107.04935	11.1
107.08591	36.5
109.06512	17.0
109.10149	7.4
111.04403	4.5
111.08072	7.2
113.05965	3.4
117.06996	12.3
119.08575	23.1
121.02884	3.3
121.06502	69.2
121.10148	30.4
123.04384	4.9
123.08069	23.0
123.11727	3.9
125.06010	4.6
125.09627	8.6
127.07559	3.2
129.07030	5.0
130.06525	3.5
130.07787	2.8
131.06874	7.5
131.08478	13.3
133.06488	4.7
133.10106	19.9
135.04387	9.3
135.08043	40.5
135.11662	12.2
137.05940	9.4
137.09605	11.0
139.03951	2.7
139.07538	12.0
139.11180	3.0
143.07054	5.5
144.09294	6.8
145.06493	4.2
145.10144	17.0
146.07095	3.4
147.08047	8.5
147.11673	3.3
149.02336	3.1
149.05984	4.2
149.09616	40.2
149.13242	7.1
151.07571	4.8
151.11130	3.2
152.08112	2.8
153.09084	10.7
157.10107	4.8
159.06369	2.8
159.07956	3.0
159.11687	40.9
161.09599	11.9
163.03873	4.7
163.07542	4.0
163.11165	18.6
164.07053	5.4
165.09093	11.8
167.06950	3.8
167.10660	4.1
175.11180	17.8
177.07359	6.3
177.12756	28.0
179.10623	24.4
181.04904	3.5
187.11176	19.0
193.12256	13.1
202.64496	3.0
205.12247	37.1
208.03622	5.1
209.04388	14.2
223.06036	11.3
223.11449	4.7
223.13286	100.0
223.16925	8.1
224.06810	33.2
236.35068	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1328
Annotation	Dehydrovomifoliol
Peak:m/z	Relative Intensity
53.03934	3.0
55.01860	2.1
55.05300	1.2
55.05507	15.1
55.46028	1.1
56.96563	9.4
57.03427	3.7
57.07049	3.3
59.04983	5.4
59.54786	1.0
61.02914	1.5
65.03928	1.5
66.51598	1.2
67.05497	22.0
69.03429	9.0
69.07047	4.6
69.85530	1.3
71.04981	5.0
71.59666	1.2
71.60088	2.0
72.93770	1.7
73.02921	2.4
79.05485	7.5
81.03418	3.1
81.07063	11.9
83.04977	82.8
83.08620	3.6
85.02898	6.4
85.06522	1.6
87.04465	4.2
90.94817	1.2
91.05479	16.5
93.07039	48.6
94.07372	1.3
95.04954	11.6
95.08606	35.2
97.02880	6.7
97.06517	7.7
98.97563	4.3
99.04433	1.5
101.06003	1.9
105.07017	10.4
106.06546	1.4
107.04946	4.0
107.08600	13.4
109.06495	10.2
109.10162	15.4
111.04458	2.3
111.08076	74.5
112.08409	1.4
113.05974	1.8
116.98628	3.8
117.06997	3.8
119.01885	1.4
119.08568	16.1
120.08152	6.1
120.08856	1.5
121.06505	41.9
121.10152	12.6
122.07222	2.2
123.08065	8.9
125.06016	3.3
125.09627	2.3
127.07555	2.3
128.02286	1.4
129.06985	2.8
131.00127	2.1
131.04941	1.4
131.08542	4.5
133.10129	5.1
134.99600	2.0
135.08072	10.0
135.11690	17.1
137.09619	19.3
139.07533	25.2
144.09393	3.0
145.06396	1.7
145.10107	7.9
146.97438	4.3
147.03055	2.9
147.08051	14.8
147.11679	1.4
149.01215	7.7
149.02341	2.6
149.05965	4.5
149.09613	3.7
149.13269	3.1
151.58583	1.4
152.06009	2.0
153.09109	2.6
153.64021	1.3
156.03639	6.1
157.08647	1.4
158.07253	1.4
158.99680	2.0
159.11703	23.9
161.01233	1.4
161.06430	1.7
161.13235	6.4
163.07654	1.3
163.11172	15.7
165.09120	25.9
165.23175	1.4
167.02296	3.4
167.07069	2.3
169.10101	1.8
169.99046	2.2
170.99472	1.3
172.08849	6.1
177.00670	2.8
177.12743	17.3
181.12241	23.1
187.11172	21.4
195.08105	1.5
195.13757	6.7
205.12219	40.0
208.03757	2.0
223.05942	3.6
223.13281	100.0
223.16882	6.1
224.08060	7.0
229.07445	2.2
229.14253	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.133
Annotation	Dehydrovomifoliol
Peak:m/z	Relative Intensity
53.03928	6.6
53.10233	5.6
54.04817	5.3
55.01872	12.0
55.05499	24.3
56.96547	19.8
57.03431	5.5
57.07070	11.2
59.05002	11.2
65.03924	9.0
65.99660	6.8
67.05505	29.8
68.05036	5.5
69.03422	21.9
69.07057	26.3
70.06592	50.8
71.04986	13.6
71.31026	8.0
72.08151	20.2
79.05489	26.0
80.39845	5.3
81.03416	12.2
81.07065	35.5
83.04998	37.4
83.06133	5.4
83.08612	9.6
84.04501	6.5
84.08143	62.7
84.96088	5.6
85.02892	7.1
85.06532	9.0
86.09714	35.9
91.05444	43.0
93.07047	96.6
95.04974	33.2
95.08594	28.2
97.02869	9.3
97.06528	17.1
99.04484	8.9
103.05438	10.9
105.03410	7.2
105.07034	35.7
106.99667	7.9
107.04941	27.2
107.08592	40.4
108.04459	20.3
109.06503	19.4
109.10143	18.2
110.07156	12.8
111.04443	8.3
111.08076	25.6
115.05509	7.0
116.98636	6.2
117.07027	8.0
119.04948	5.5
119.08539	27.6
120.04468	6.2
120.08123	30.8
121.06496	99.7
121.10126	46.2
123.08047	22.5
124.15479	5.4
125.09625	10.8
127.07572	6.1
129.07007	9.8
129.10213	13.4
130.07735	6.7
130.08662	7.6
131.04967	7.7
131.08554	21.5
133.10126	24.5
134.99663	11.4
135.02771	16.3
135.08022	18.6
135.11694	15.1
137.09619	14.0
139.07545	18.9
145.10117	25.7
147.08055	8.6
149.02386	42.8
149.06020	10.8
149.09602	45.6
153.09111	13.9
157.10104	8.2
159.08003	10.5
159.11655	37.4
161.09604	18.3
163.07556	8.5
163.11143	20.6
163.12352	7.7
165.09164	7.9
167.05638	9.5
167.10605	9.5
172.08836	7.2
175.11183	13.8
177.12761	22.3
178.03305	6.8
178.04961	10.8
179.10689	13.4
181.12256	6.9
187.11166	24.7
193.12349	9.6
205.12131	30.4
208.03606	7.7
223.05954	17.2
223.07808	10.5
223.11343	8.3
223.13329	73.7
223.16885	61.1
224.07111	7.1
225.04253	100.0
226.04472	7.0
227.02261	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1077
Annotation	Phe-gly
Peak:m/z	Relative Intensity
55.05510	0.9
56.96566	0.9
57.07045	0.7
59.06117	0.5
60.04515	0.4
67.05497	1.0
69.03446	0.5
69.07055	0.7
69.20274	0.5
70.06573	1.9
70.34737	1.7
72.08152	1.1
78.05157	0.4
79.05485	2.2
80.04990	0.6
81.03422	0.9
81.04546	0.5
81.07042	0.8
83.04974	1.1
84.04527	0.7
84.08143	1.8
86.09710	0.6
91.05482	1.6
93.07056	1.9
94.06553	0.5
95.04974	1.3
95.08620	0.7
96.04506	0.6
97.02837	0.6
97.06474	0.5
98.97537	0.5
103.05462	4.5
105.07021	1.2
106.06550	1.0
107.04942	3.9
107.08568	1.0
108.08117	0.9
109.02873	0.4
109.06544	0.6
109.07594	0.4
110.07160	0.5
111.08030	0.6
115.05460	0.5
115.65613	0.4
117.05767	0.6
118.06539	0.8
120.08104	100.0
121.02858	0.4
121.06501	0.9
121.07647	0.5
121.08432	1.2
121.10120	0.5
122.06042	0.8
123.04417	1.1
125.05818	0.4
129.10236	0.7
131.04912	1.9
132.08078	1.0
133.06505	0.6
133.10109	0.4
134.06027	1.3
135.04488	0.6
135.11731	0.5
136.07573	1.2
137.06004	0.9
139.03853	0.5
146.06000	1.7
147.09239	0.4
148.07594	1.1
149.02312	2.0
149.06013	1.5
158.06065	0.4
159.09195	0.7
160.07594	1.3
162.05576	0.6
163.08607	0.6
164.07106	1.3
165.05536	0.5
165.07913	0.5
166.08640	27.6
175.08652	0.5
177.10245	8.3
177.12669	0.6
178.08650	0.8
180.06549	0.4
187.08804	0.8
188.07016	0.7
205.09737	1.7
205.12151	0.4
206.08075	0.7
223.05995	0.8
223.10815	4.7
223.13248	1.1
223.16870	2.4
225.04272	6.8
227.02147	2.8
244.72850	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
55.01873	0.3
55.13590	0.3
56.96567	0.7
59.93093	0.4
60.04523	0.5
62.91288	0.3
64.09419	0.3
69.03432	1.0
70.06588	27.8
70.07738	1.2
73.18542	0.3
74.06068	0.9
79.05484	0.8
81.03419	0.4
84.08134	0.5
85.02907	1.0
95.04952	1.2
97.02910	0.4
98.06018	0.3
105.04564	0.3
107.04948	100.0
108.05273	1.1
116.07085	54.2
116.98599	0.5
121.06503	0.5
123.04404	0.5
130.06538	0.6
142.98003	0.5
170.99533	0.4
171.26529	0.3
176.07062	0.4
183.81554	0.3
198.99091	0.6
204.08751	0.7
214.98279	0.4
216.98018	1.0
222.09436	0.4
222.11336	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	222.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75777	0.5
53.03950	1.5
53.94136	0.5
55.05508	79.2
58.99579	4.6
59.57274	0.5
70.75395	1.0
70.75748	1.3
76.02229	2.4
83.08614	100.0
84.08979	1.3
86.99047	5.9
88.03993	0.9
101.09652	13.6
105.00095	7.7
122.02709	2.1
130.06551	0.6
139.32013	0.5
159.08354	1.8
180.72664	0.5
205.08914	15.0
215.32574	0.6
222.11581	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.9881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.33281	6.0
65.21049	5.5
69.60807	25.6
69.61236	18.1
81.03419	25.5
87.10040	9.9
97.02891	7.2
98.21472	9.9
114.78294	6.8
160.83711	6.2
209.87593	6.6
222.98834	100.0
229.23280	6.2
230.03055	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	223.1076
Annotation	N5-Phenyl-L-glutamine
Peak:m/z	Relative Intensity
55.01885	0.6
55.05502	1.2
56.05039	1.5
56.96576	1.2
57.07077	1.6
59.06089	0.7
59.38853	0.7
60.04527	1.9
65.03931	1.0
67.05505	1.6
68.05013	1.0
69.03440	0.9
69.07083	0.9
70.06590	7.9
71.51172	1.0
71.51517	0.8
72.04501	0.6
72.08165	1.9
74.02432	8.4
74.06076	0.7
79.05496	2.8
79.23828	0.7
80.05015	2.5
81.03415	1.6
81.07050	1.9
82.06573	1.0
83.04961	1.1
83.26128	0.7
84.04489	1.2
84.08137	4.3
86.09709	2.1
88.03986	3.0
91.05476	12.4
93.07043	2.2
94.06551	2.5
95.04974	2.3
95.06081	0.8
95.08604	1.0
95.88822	0.6
97.50301	0.6
103.05454	1.6
105.07040	7.0
106.06556	5.6
107.04965	3.4
107.07318	0.9
107.08603	1.9
108.04491	1.8
108.08099	4.0
109.06539	1.1
110.06065	1.0
110.07178	0.8
111.08047	0.8
115.05450	9.9
117.05756	6.9
117.06988	3.4
118.06539	100.0
119.04937	5.5
119.07368	6.7
119.08575	1.1
120.08102	10.0
121.06506	1.5
121.08893	1.6
122.06029	3.7
122.09653	0.9
123.04446	1.3
123.08080	1.2
125.09586	0.9
125.10754	0.8
129.10228	2.4
130.06541	4.2
132.08089	46.8
133.05254	0.9
133.06485	2.4
133.07536	1.4
134.06015	11.3
134.09656	1.7
135.05542	3.5
135.09163	4.4
136.07568	8.2
137.50410	0.7
142.06531	5.1
143.04968	0.9
144.08063	1.4
145.06450	1.0
145.07576	1.6
146.06007	5.8
148.07578	1.9
149.02353	2.7
149.08371	10.8
150.09169	4.3
159.09174	40.8
160.03940	1.4
160.07581	41.8
161.06000	1.6
161.10771	0.7
162.05507	0.9
162.09073	3.8
163.08653	8.2
164.07069	6.8
166.08621	0.9
171.04402	0.9
175.11964	0.8
177.06813	4.0
177.10228	84.4
178.04938	0.9
178.08630	20.6
178.10344	1.4
179.11592	0.7
180.06580	1.3
181.06142	1.0
181.93800	0.8
188.07092	2.0
205.09764	6.3
206.04749	0.7
206.08110	18.2
223.07144	3.4
223.10768	28.5
223.13002	1.3
223.16936	1.9
224.09145	1.8
225.04295	12.0
227.02246	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	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.29001	1.0
53.03934	2.2
54.82161	0.9
55.01857	2.0
55.05263	1.4
55.05507	19.6
56.96566	5.9
57.03416	2.4
57.07076	7.4
59.04986	3.1
65.03923	1.8
67.05500	26.6
69.03408	2.2
69.07060	35.2
71.04601	1.0
71.04967	6.0
71.08614	2.9
72.08138	1.5
79.05486	22.7
81.03397	3.2
81.07049	59.2
83.04952	2.7
83.08606	15.5
85.02898	1.4
85.06516	4.1
85.10165	2.0
91.05467	31.9
93.07034	42.5
95.04964	6.3
95.08597	73.3
97.02856	1.2
97.06493	3.1
97.10162	9.0
98.97591	1.7
99.04408	1.1
99.08076	5.2
101.75806	1.0
105.07021	66.6
106.07339	0.9
107.04940	5.0
107.08582	56.3
109.06478	5.7
109.10149	40.1
109.10913	1.7
110.07180	1.7
111.08070	3.4
111.11695	1.7
113.09617	1.7
113.75963	0.9
115.05428	1.1
116.21112	0.9
116.98603	2.0
117.07037	5.3
119.08567	55.6
120.08821	0.9
121.06493	3.9
121.09310	1.7
121.10136	31.7
123.08061	4.0
123.11689	15.1
125.09621	15.2
129.06958	2.3
130.06476	1.6
131.08549	3.1
133.06468	3.4
133.10120	35.4
134.99651	2.4
135.08061	1.6
135.11682	11.2
137.05930	1.6
137.09602	6.3
137.13246	2.8
139.11160	3.7
143.08557	2.8
145.10107	2.4
147.08041	5.2
147.11676	46.1
149.01180	2.4
149.02252	1.1
149.13222	3.8
151.07504	1.5
151.11169	7.5
153.12720	1.1
154.45433	0.9
157.10060	1.8
159.11671	6.6
161.09601	3.6
161.13243	49.4
163.14816	14.0
165.09119	2.4
165.12749	11.4
167.02271	1.4
175.02751	3.1
175.07474	2.0
175.08801	1.2
175.11188	1.6
175.14810	18.9
177.16382	10.1
179.10652	2.2
179.14146	1.3
185.13260	4.7
192.94814	1.0
193.03793	2.0
193.15804	2.3
198.07930	1.3
203.14255	6.0
203.17938	100.0
204.18312	2.5
216.09006	1.3
217.07274	1.3
221.06076	1.0
221.07808	1.6
221.09587	2.6
221.11713	2.5
221.13426	0.9
221.15439	28.0
221.18982	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03930	3.5
55.01859	4.5
55.05512	20.9
56.96568	19.4
57.03421	1.9
57.07067	8.6
59.78827	1.5
64.69205	1.8
67.05496	42.2
69.03416	3.0
69.07061	49.0
71.04984	8.7
71.08595	2.6
72.08132	2.8
79.05061	2.2
79.05482	33.4
81.07049	100.0
82.07375	2.8
83.04951	5.0
83.08605	16.9
85.06538	5.3
85.10175	3.5
86.77479	1.6
91.05470	31.9
93.07035	52.4
95.04961	9.0
95.08597	91.6
97.06515	5.4
97.10138	7.1
97.18103	2.3
98.97581	19.0
99.08069	3.8
105.07018	58.5
107.04927	8.6
107.08583	71.4
109.06501	8.1
109.10145	41.5
111.08037	4.5
111.11723	2.1
113.09625	2.1
116.98605	17.3
117.06990	4.9
119.08566	57.9
120.08079	1.9
121.06503	6.1
121.10123	30.3
121.27154	1.9
123.04416	2.2
123.08035	6.3
123.11698	12.6
125.09604	13.7
131.00168	5.3
133.06393	3.2
133.10110	39.0
134.99638	15.3
135.04373	2.9
135.08051	5.0
135.11702	11.8
137.09599	7.0
137.13222	5.0
139.11122	4.2
143.08528	4.8
145.10098	3.3
146.99606	2.0
147.08023	4.3
147.11674	50.1
149.01199	11.5
149.13239	4.5
151.11168	8.7
153.00725	2.3
153.12735	2.1
158.01347	2.6
158.99619	6.6
159.11687	4.0
160.97508	2.4
161.09605	4.3
161.13232	32.4
163.14787	12.8
165.06966	1.9
165.09077	3.6
165.12746	7.5
167.02249	3.4
173.01193	7.6
175.02809	5.4
175.11252	3.9
175.14803	17.9
177.00700	13.9
177.16342	8.9
185.13254	5.2
191.02255	10.4
193.03798	3.0
202.98613	4.9
203.07076	7.5
203.14301	3.4
203.17935	95.4
204.18289	2.2
206.10814	2.1
221.09688	2.6
221.11725	5.1
221.15453	20.4
221.18996	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.24218	1.0
53.03944	1.7
55.05503	11.2
56.96546	1.4
57.07063	3.4
60.15161	1.1
61.12226	1.0
67.05499	7.9
67.66224	1.0
69.03403	1.4
69.07064	10.8
69.57200	8.1
71.04987	16.8
74.01524	1.1
79.05491	17.2
81.07051	50.0
81.60834	1.1
82.07394	1.5
83.04972	2.6
83.08594	5.6
91.05466	12.3
93.07034	37.6
95.04937	2.2
95.08594	27.0
97.06507	3.1
97.10164	2.4
99.08090	2.3
100.30836	1.1
101.00896	1.7
104.03593	1.2
105.07020	21.3
107.04955	4.8
107.08586	58.7
108.13110	1.2
109.06539	5.3
109.10149	17.1
111.08099	2.8
112.24242	1.1
117.06966	2.0
119.01940	3.1
119.08572	40.5
121.06487	1.2
121.10130	8.9
123.08028	2.8
123.11695	17.7
125.56367	1.0
126.05040	1.0
127.11193	4.1
129.06976	2.6
133.10112	22.2
135.04431	3.5
135.11682	100.0
137.09601	3.0
137.13295	3.6
139.11116	1.3
143.01897	2.3
145.10141	3.0
147.08044	3.0
147.11681	17.2
149.13254	5.6
151.11200	3.5
153.12779	1.6
161.02966	2.5
161.13261	11.7
163.14824	3.8
165.12776	2.7
170.37859	1.1
175.07539	58.2
175.14758	2.6
176.07916	2.5
177.14668	1.9
177.16307	1.5
178.15918	1.5
193.08649	3.8
203.17949	33.3
221.08113	6.4
221.15395	2.2
221.17305	4.8
221.19046	39.7
222.18600	5.1
229.14946	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03930	1.1
55.05260	0.9
55.05507	13.4
56.96564	6.7
57.03431	1.5
57.07072	7.0
59.04984	1.6
63.07692	0.8
65.03904	0.8
67.05167	1.1
67.05502	19.4
69.03403	1.6
69.07060	27.5
69.37627	1.4
69.38027	6.7
71.04978	5.4
71.08627	1.3
72.08147	1.3
79.05482	16.4
81.03441	1.0
81.07050	41.9
83.04958	2.0
83.08608	12.0
85.06525	3.6
85.10168	3.1
91.05463	16.0
92.95804	0.7
93.07034	27.4
95.04969	2.7
95.08598	64.3
95.14543	1.0
95.15163	0.8
96.08883	1.0
97.06512	4.4
97.10168	9.3
98.97575	2.2
99.08073	3.5
100.50079	0.7
105.07019	41.3
107.04930	3.4
107.08585	47.2
109.06496	4.4
109.10140	40.0
111.08060	4.6
111.11726	2.1
113.09658	1.5
116.98599	2.1
117.07007	1.9
119.08570	38.8
121.06483	2.5
121.09301	1.6
121.10132	24.8
123.08035	3.1
123.11695	12.3
125.09610	14.0
127.11282	1.0
129.06978	1.4
131.08566	2.0
133.06482	1.0
133.10115	29.5
134.83252	0.8
134.99675	1.9
135.04367	0.9
135.08090	1.7
135.11674	9.4
137.05916	1.0
137.09593	5.0
137.13235	2.4
139.11188	4.7
143.08614	1.2
145.10118	3.1
147.08000	1.9
147.11674	45.3
149.09564	1.1
149.13243	3.5
151.07556	1.0
151.11148	5.5
151.14853	0.9
153.12686	1.4
159.11656	2.2
160.12477	1.0
161.09564	2.1
161.13249	24.1
163.11192	1.0
163.14804	12.9
165.09161	2.1
165.12746	6.8
175.02771	3.2
175.07500	13.0
175.08804	1.5
175.11143	3.3
175.14803	18.9
177.16380	9.2
179.10628	0.8
185.13274	1.6
193.03828	1.9
193.12277	0.9
193.15857	1.2
203.14230	2.3
203.17935	100.0
204.18378	1.5
206.10947	0.8
217.07434	3.0
221.04431	1.1
221.07982	2.2
221.11737	3.3
221.15656	9.2
221.18988	57.2
222.14842	0.9
222.19228	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03940	2.1
53.37584	0.8
53.73454	0.8
55.05509	8.9
56.96555	1.7
57.07065	3.3
59.04996	1.1
60.86536	1.0
62.09401	1.1
65.03941	0.9
67.05502	8.2
69.03407	1.1
69.07059	8.9
70.92445	2.7
71.04990	18.0
71.08579	1.1
79.05487	13.8
81.06570	2.2
81.07056	44.4
81.60518	1.0
82.07414	1.3
83.04976	1.4
83.08617	3.2
91.05025	1.1
91.05484	10.1
91.79223	1.0
91.96577	1.0
93.07042	32.9
95.04974	1.9
95.08607	24.9
97.06495	1.5
97.10178	1.4
98.97598	5.1
99.08072	4.3
105.07031	18.1
107.08591	57.3
108.26353	0.9
109.06512	2.3
109.10158	17.2
111.08069	1.8
114.74511	0.9
116.98608	2.9
117.07000	1.5
119.08584	28.0
121.10126	8.6
123.08056	2.3
123.11705	14.4
124.59338	1.1
127.11185	3.8
133.10130	19.1
134.99673	1.3
135.11688	100.0
136.11960	1.4
137.09602	4.5
137.13248	3.6
145.10109	2.2
147.11687	15.3
149.13234	4.4
151.11169	3.2
160.12428	1.2
161.13264	9.5
163.14835	4.6
165.12750	2.4
175.14890	2.3
177.00711	1.5
177.16339	2.2
203.17950	30.5
221.19006	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03938	2.9
55.01852	2.0
55.05511	14.8
56.96571	6.2
57.03428	1.9
57.07063	4.7
59.04985	1.5
62.28779	1.0
65.03915	2.1
67.05503	19.2
69.03424	2.6
69.07063	19.1
71.04640	2.0
71.04991	23.3
71.08634	2.7
71.59857	2.1
72.08143	5.4
72.93792	1.7
75.64360	1.1
79.05061	1.6
79.05492	22.7
81.03416	4.5
81.07058	64.2
83.04971	3.7
83.08614	6.8
85.02900	1.6
85.06541	3.7
91.05482	20.1
93.07044	51.8
95.04968	7.4
95.08606	45.4
95.09230	1.9
97.02888	1.6
97.06503	4.8
97.10170	3.3
99.08098	6.7
103.05508	2.0
105.07030	40.6
107.04966	9.5
107.08595	73.3
109.06564	6.1
109.10149	27.6
111.04460	1.1
111.08097	3.6
111.11713	2.1
113.09597	1.5
115.05409	1.5
116.98633	1.9
117.07011	4.5
118.10262	1.2
119.08578	43.9
121.06507	8.2
121.10139	14.7
123.08053	10.4
123.11697	17.1
125.09651	3.4
127.07562	2.5
127.11195	4.3
129.07014	2.0
130.06580	1.5
131.08585	3.0
133.10136	28.1
134.99666	1.6
135.08067	3.3
135.11691	100.0
137.09601	5.2
137.13216	4.9
139.11169	2.0
143.08617	1.7
145.10106	3.0
147.04346	1.2
147.08134	2.0
147.11694	24.8
147.26004	1.1
149.13278	12.7
151.07538	1.4
151.11163	4.2
157.10123	2.1
159.11691	2.4
161.06003	1.4
161.09630	4.1
161.13249	16.2
163.11197	1.5
163.14827	4.0
165.06998	1.4
165.09109	1.9
165.12729	2.9
175.02753	1.7
175.08771	2.4
175.11168	2.4
175.14803	8.0
177.12689	2.6
177.16400	3.0
185.13167	1.8
193.03836	2.4
193.15880	14.5
203.14301	3.3
203.17961	40.4
209.57938	1.7
212.90630	1.3
213.14598	1.7
221.07927	3.1
221.09773	2.2
221.11723	3.5
221.15596	14.7
221.19016	60.2
222.19069	1.3
239.11717	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.82539	1.5
52.36828	1.2
53.03936	1.7
55.05505	11.0
57.07075	3.6
63.22833	1.4
67.05493	7.1
69.07067	8.9
71.04986	19.8
76.98695	1.3
79.05482	13.6
81.06571	3.4
81.07050	56.9
83.08609	6.1
87.08082	2.3
91.05472	11.4
93.07034	37.7
95.04972	2.0
95.08595	30.0
95.09160	2.6
97.06550	1.9
97.10159	2.8
99.08073	3.8
105.07014	25.9
107.07854	3.5
107.08585	64.0
108.08908	1.4
109.06525	3.8
109.10152	21.8
110.10487	1.4
111.08054	2.1
119.08573	35.1
121.10139	9.6
123.08092	2.3
123.11704	13.8
127.11170	4.4
130.06551	2.5
132.04489	1.9
133.10117	18.1
135.11679	100.0
136.12001	1.8
137.09650	4.2
137.13239	3.8
147.11668	19.0
149.13260	8.2
151.11124	2.0
157.07591	2.2
161.13252	11.2
163.14803	5.2
165.12740	2.7
175.08690	2.8
175.14842	3.1
177.14629	4.3
177.16194	3.6
181.26199	1.5
203.17946	33.0
203.19725	2.7
221.17239	15.3
221.19019	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.40377	1.4
53.03935	5.4
53.78953	1.4
55.01854	3.6
55.05510	16.9
56.96566	18.4
57.03441	3.7
57.07066	5.7
58.77157	1.4
59.04993	4.0
65.03932	3.6
67.05505	27.1
69.03427	2.3
69.07065	19.2
70.04066	3.8
71.04991	16.1
71.59446	2.0
71.59840	2.0
71.80758	1.5
72.08144	3.2
78.77738	1.6
79.05491	31.8
80.05824	2.6
81.03434	2.2
81.06573	3.6
81.07056	71.8
83.04967	6.1
83.08608	9.2
85.02890	2.4
85.06516	2.0
91.05473	27.3
93.07041	45.6
94.06580	1.6
95.04958	9.9
95.08603	42.0
97.02863	2.3
97.06517	5.2
97.10159	4.8
98.97590	3.8
99.08080	6.1
103.05473	1.6
105.07027	35.8
105.08520	1.6
107.04964	10.0
107.08591	70.4
109.02846	1.8
109.06497	10.7
109.10149	28.8
110.07143	2.6
111.08087	5.2
111.11755	1.6
113.09668	1.7
115.05440	2.4
116.98604	2.6
117.07029	3.0
119.08581	45.8
120.08075	1.6
121.06496	5.4
121.10134	14.6
123.04396	2.4
123.08041	4.8
123.11708	18.7
125.09588	5.1
127.11185	4.7
128.06128	2.0
129.07021	2.0
130.06554	1.6
131.00102	1.6
131.08601	3.5
133.06512	2.8
133.10124	31.5
134.99661	5.6
135.07986	1.8
135.11690	100.0
137.06018	2.8
137.09589	6.4
137.13249	4.2
143.08589	2.3
145.10172	4.0
146.99646	2.1
147.08096	3.4
147.11671	29.0
149.01208	5.2
149.13248	6.3
151.11177	5.1
155.08510	1.8
157.10150	1.6
157.15205	1.6
158.06009	2.6
159.11652	2.4
160.12410	1.9
161.09578	4.2
161.13264	20.1
163.14807	7.0
165.12790	2.7
167.02274	3.6
175.02779	4.4
175.11165	2.8
175.14787	6.7
177.16365	3.4
178.07751	2.6
179.10666	1.9
185.13191	3.4
193.03842	2.2
193.15894	2.2
203.10641	2.7
203.14354	2.3
203.17960	45.1
221.09592	3.3
221.11391	7.9
221.15494	18.5
221.19038	50.2
222.03670	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	221.1536
Annotation	Dehydrocarissone
Peak:m/z	Relative Intensity
50.29924	2.5
53.03939	8.3
55.01865	4.6
55.05509	23.8
56.96560	5.1
57.03452	4.2
57.07066	9.3
65.03934	6.3
67.05175	3.9
67.05508	56.4
69.07072	25.0
71.04984	16.5
71.58940	4.4
79.05497	71.3
80.05825	3.0
81.03413	4.1
81.07061	77.6
83.04969	11.5
83.08617	6.6
85.02913	10.8
85.06509	7.0
91.05476	66.3
93.07043	98.4
95.04970	100.0
95.08612	49.8
96.24451	2.8
97.06548	17.3
99.08078	3.8
103.05471	4.4
105.04562	3.3
105.06386	5.0
105.07033	62.1
107.04975	25.2
107.08599	63.1
108.05718	3.9
109.06521	20.9
109.10142	16.6
111.04433	21.4
111.08094	6.6
117.07011	19.9
119.04954	3.6
119.06020	3.2
119.08576	47.3
121.06501	20.1
121.10113	18.1
123.08054	13.5
123.11643	3.9
128.06210	5.2
129.07010	12.2
130.06612	3.8
130.07793	3.1
131.08549	12.2
133.06479	10.7
133.10130	20.5
135.08046	7.8
135.11688	11.4
137.09622	7.0
139.07506	3.4
141.44186	2.6
143.08589	17.3
145.10133	15.8
147.04424	12.7
147.08051	5.9
147.11665	7.9
151.11220	4.1
153.09032	3.4
157.10117	4.8
158.05959	4.4
159.11708	11.6
161.09641	10.5
161.13260	45.6
163.11189	17.7
165.05452	3.5
175.02792	3.5
175.11205	8.8
175.14848	13.8
177.12718	3.9
179.10677	3.1
179.14281	17.2
185.13281	23.7
185.59938	2.9
193.15857	3.9
203.14314	16.3
203.17966	3.1
206.16234	11.7
217.07535	3.9
221.09641	3.2
221.15381	97.6
221.18164	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	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.70337	1.5
55.05506	12.0
56.96566	4.3
57.03424	2.6
57.07075	4.0
67.05498	11.8
69.04105	1.6
69.07054	11.0
69.08246	1.7
69.75527	7.1
69.75933	2.6
71.04988	20.3
71.68782	1.5
79.05482	16.9
79.79673	1.5
81.07053	51.1
83.04952	2.4
83.08617	5.3
85.06522	1.8
91.05459	13.0
93.07043	37.4
93.15738	1.6
94.07297	1.6
95.04984	2.3
95.08605	28.0
97.06495	3.9
97.10131	2.6
98.97572	2.7
99.08059	2.9
101.74578	1.6
105.07024	24.6
107.04961	3.9
107.08590	63.9
109.06554	2.6
109.10158	20.2
109.10844	2.6
116.98636	1.8
117.07014	2.1
119.08586	36.3
121.06532	1.8
121.10118	8.1
123.08097	2.9
123.11703	16.4
127.11180	4.5
133.10124	22.7
135.11688	100.0
136.08871	1.5
137.09599	4.4
137.13222	3.8
145.10210	2.9
147.11693	20.9
149.13245	6.7
151.11156	4.2
152.75056	1.6
161.13254	11.1
163.14813	4.5
165.12660	2.5
175.07533	1.7
175.14828	3.7
177.00696	2.8
177.16380	3.2
203.17940	30.1
221.11716	1.9
221.15393	5.0
221.19006	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1535
Annotation	Oblongolide
Peak:m/z	Relative Intensity
53.03942	5.3
54.21321	2.1
55.01869	8.2
55.05510	19.2
56.96563	15.4
57.07058	4.6
65.03925	3.0
67.05502	46.7
69.03430	4.9
69.07066	22.1
70.06619	3.3
71.04987	8.8
71.59023	4.1
79.05489	78.1
80.05834	2.6
81.03407	9.1
81.07056	59.3
83.04972	7.7
83.08636	12.0
85.02916	4.4
85.06538	6.4
91.05472	66.8
91.06010	4.2
91.89484	2.2
93.07038	100.0
95.04957	22.9
95.08607	39.7
96.08148	2.2
97.06548	4.7
97.10165	3.4
99.04424	3.2
99.08110	4.1
105.07025	43.2
105.07684	3.7
107.04935	13.5
107.08586	62.3
107.95053	2.3
109.06520	14.4
109.10153	13.9
111.08092	10.5
115.05473	5.4
117.07027	13.5
119.08577	64.5
121.06496	12.2
121.10143	42.2
123.08094	10.6
123.11716	3.6
124.07620	3.9
128.06187	3.6
129.07016	8.4
130.06520	3.3
131.08565	15.7
132.04472	5.0
133.06551	3.5
133.10126	26.6
134.99706	2.9
135.04468	6.1
135.08037	10.6
135.11711	17.6
137.06113	3.1
137.09602	11.5
143.08569	12.2
145.10103	4.2
147.04463	3.5
147.08046	8.0
147.11699	8.5
149.01198	5.5
149.04199	2.2
149.09647	4.4
149.13353	2.4
151.07559	3.4
151.11249	4.2
153.09119	3.8
157.10167	7.3
158.06001	5.2
159.11707	8.3
161.09651	7.6
161.13257	46.4
165.05562	2.4
165.07039	3.0
165.09103	2.9
167.02309	2.4
175.02759	3.8
175.08685	7.0
175.11218	7.5
175.14821	18.5
178.07748	2.8
181.07140	2.7
185.13269	25.5
193.03798	4.2
193.10208	3.2
203.07056	8.2
203.10847	2.6
203.14293	20.6
203.18030	4.0
206.16209	9.8
217.07477	3.2
221.07683	3.0
221.09842	11.9
221.11761	5.1
221.15367	61.9
221.17815	3.1
221.18759	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	221.1535
Annotation	Oblongolide
Peak:m/z	Relative Intensity
51.03194	1.5
51.98558	1.1
53.03936	4.6
55.05511	12.6
56.96560	7.4
57.03432	1.7
65.03934	2.3
67.05504	20.1
69.07066	12.1
69.93325	4.1
69.93733	2.5
71.04998	3.8
73.06564	1.9
79.05494	67.8
81.06583	2.2
81.07058	39.0
83.04982	2.2
83.08612	5.8
85.06553	4.2
91.04907	1.3
91.05479	44.3
93.07043	100.0
94.07360	1.6
95.04975	11.7
95.08604	21.9
97.06525	2.5
98.20802	1.8
105.04495	1.6
105.07032	44.3
106.07316	1.5
107.04971	2.0
107.08595	75.7
108.08925	1.5
109.06525	9.8
109.10130	3.4
117.07021	5.3
119.08577	38.9
121.06493	4.8
121.10142	18.0
123.08057	5.2
128.06226	1.8
129.07007	3.2
131.08563	8.8
133.10133	13.7
135.08044	3.1
135.11719	2.6
137.09567	1.7
142.07840	1.8
143.08562	8.8
145.10094	1.8
147.08057	3.4
147.11681	5.2
151.07684	1.5
153.09149	1.5
157.10158	4.8
158.05925	1.6
159.11690	9.7
161.09622	4.1
161.13260	31.3
162.05537	1.5
165.09093	3.2
175.02776	2.2
175.11189	8.5
175.14870	7.4
179.10547	1.4
180.63002	1.2
185.13272	16.4
190.67946	1.4
193.03809	2.8
203.14319	11.6
203.17871	1.1
206.16171	6.7
217.07510	2.4
221.11815	1.4
221.15372	28.6
221.17787	2.2
221.18184	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	221.1536
Annotation	Oblongolide
Peak:m/z	Relative Intensity
51.02384	1.5
52.48536	1.4
53.03946	7.2
55.01868	1.8
55.05511	11.4
55.39235	1.2
56.96555	5.5
65.03948	2.4
67.05503	15.4
69.07066	11.2
70.09998	4.9
70.10411	2.7
71.04977	3.9
73.06561	1.8
79.05492	63.2
81.07055	48.2
83.04957	2.8
83.08614	4.8
85.06540	4.7
91.05478	40.4
92.05805	1.7
92.71813	1.3
93.07042	100.0
95.04955	10.6
95.08606	19.4
97.06525	2.4
105.04539	1.4
105.07034	41.3
107.08593	73.4
109.06494	6.6
109.10150	3.0
117.07019	5.3
119.08580	37.4
121.06512	5.2
121.10134	18.8
123.08083	4.8
123.11695	1.6
129.07018	3.0
131.08560	9.3
133.10133	15.9
135.08034	3.2
135.11679	1.9
137.09650	1.6
143.08572	8.4
147.08038	3.7
147.11708	5.2
149.46255	1.2
157.10156	3.7
159.11684	8.1
161.09610	3.8
161.13248	35.6
165.09166	3.0
175.02814	2.0
175.11192	7.6
175.14767	6.7
185.13258	19.3
199.06416	2.2
203.14369	10.7
203.18034	1.6
206.16216	5.4
217.07462	6.3
221.15378	27.4
221.18617	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1536
Annotation	ar-Bisabol-9-en-7,11-diol
Peak:m/z	Relative Intensity
53.03952	4.4
55.01873	2.4
55.05510	10.5
56.96563	10.2
57.03420	0.9
57.07064	1.5
59.04982	1.7
63.73671	0.6
65.03940	2.9
67.05502	18.7
69.07064	12.0
70.15668	1.1
70.16019	2.9
71.04982	2.9
71.95287	0.8
72.08146	0.7
72.93795	0.8
73.06557	2.0
77.03934	1.1
79.05490	65.3
81.03419	1.9
81.07055	44.0
83.04978	2.8
83.08615	7.0
85.02905	1.7
85.06546	5.3
87.04492	1.3
91.05478	43.8
93.07040	100.0
94.07364	1.4
95.04967	14.2
95.08606	20.0
96.02055	0.7
97.06537	3.1
98.21431	0.8
98.97573	1.1
99.04456	1.1
99.08078	1.0
101.06016	1.0
103.05486	1.2
105.04506	2.1
105.07029	38.1
107.04957	3.3
107.08592	68.3
108.08938	1.2
109.02870	2.4
109.06511	7.5
109.10143	4.0
111.08096	2.0
115.05476	0.9
116.98579	1.0
117.07025	5.0
119.06117	0.9
119.08580	36.2
121.06490	5.2
121.10145	17.9
123.08055	6.0
127.07557	1.2
128.06204	1.7
129.07011	4.3
131.08554	7.5
133.06500	1.4
133.10124	10.4
134.99635	0.9
135.08046	2.9
135.11694	2.8
137.05978	1.1
137.09593	2.1
139.07500	1.8
142.07748	1.6
143.08554	10.1
144.09258	0.9
145.10114	3.2
147.08044	4.1
147.11684	5.1
151.07550	1.1
153.09120	0.8
157.10138	4.9
159.11682	7.2
161.09621	6.2
161.13251	29.4
163.11154	2.4
165.09137	2.9
175.02756	7.4
175.07535	0.9
175.11232	6.1
175.14812	8.8
179.10666	2.4
185.13248	16.4
185.14830	1.2
193.03784	7.7
198.04385	1.3
203.14322	11.9
203.17969	0.8
206.10893	1.1
215.11191	0.7
216.11517	3.2
217.07407	2.3
221.07930	1.5
221.11742	1.5
221.13441	1.4
221.15355	32.6
221.18698	1.3
234.12480	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1535
Annotation	ar-Bisabol-9-en-7,11-diol
Peak:m/z	Relative Intensity
51.02370	1.2
53.03947	5.9
55.01870	1.8
55.05507	14.7
56.96569	5.2
57.03435	1.1
57.07076	1.4
58.59405	0.8
59.04987	1.0
65.03939	2.5
67.05504	18.4
69.03430	1.3
69.06728	0.8
69.07066	11.7
71.04987	3.0
71.55222	0.7
71.59089	0.8
71.59562	1.0
73.06554	1.7
77.03943	1.5
79.05492	73.8
81.03387	1.0
81.07056	44.4
82.07392	1.6
83.04977	1.9
83.08614	6.2
83.82829	0.7
85.02911	1.1
85.06547	5.5
87.04486	1.4
89.67365	0.8
91.04897	1.7
91.05479	51.9
93.07043	100.0
93.24187	0.7
94.07371	2.4
95.04963	12.9
95.08049	1.5
95.08607	17.5
97.06538	1.3
99.04460	1.1
101.06015	1.8
103.05452	1.1
105.04511	1.8
105.07028	40.0
107.08592	77.6
108.08915	0.8
109.06515	7.5
109.10128	2.7
111.08054	2.1
117.07029	6.5
119.08584	38.5
120.08900	1.6
121.06513	4.4
121.10143	17.4
123.08067	5.1
128.06233	1.7
129.06995	4.0
131.08557	7.5
133.10136	12.8
135.08043	3.0
135.11630	1.1
137.09592	1.4
139.07486	0.9
142.07809	1.3
143.08574	8.9
145.10109	1.0
147.08064	2.9
147.11710	3.6
153.09106	1.7
157.10106	4.1
159.11696	9.4
161.09627	4.0
161.13261	33.3
161.14615	1.7
165.09117	2.8
175.02795	1.7
175.08696	1.1
175.11189	6.3
175.14804	8.2
179.10721	1.3
185.13249	16.6
193.03825	2.1
199.06383	1.6
203.14291	11.3
203.17795	0.9
206.16225	2.5
217.07559	4.2
221.09674	1.0
221.15359	23.9
221.17799	1.3
221.18402	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1533
Annotation	Oblongolide
Peak:m/z	Relative Intensity
52.35690	1.8
53.03931	5.0
55.01851	4.2
55.05510	18.8
56.96556	7.0
57.03424	2.0
57.07065	3.1
65.03917	4.1
67.05171	2.1
67.05497	29.9
69.06730	1.6
69.07064	19.4
70.26379	5.9
71.04978	11.5
79.05484	65.9
81.03396	1.6
81.07047	48.4
83.04957	4.8
83.08617	7.6
85.02893	6.6
85.06537	3.8
91.04895	2.1
91.05469	59.0
93.07032	100.0
94.07398	1.4
95.04959	54.2
95.08036	2.6
95.08595	29.2
95.53798	1.2
97.06517	12.5
97.10118	2.1
98.97575	1.7
99.04473	2.0
105.04507	2.3
105.07025	45.4
107.04945	15.1
107.08584	70.3
108.08862	1.5
109.06507	10.3
109.10163	8.6
111.04427	9.3
111.08060	3.4
116.98586	2.1
117.07005	11.5
119.07786	2.7
119.08570	43.9
121.06496	9.8
121.10130	26.6
123.04413	2.3
123.08038	8.5
123.11658	2.4
125.59517	1.4
127.07577	1.8
128.06140	1.6
129.06972	6.5
131.08563	9.6
133.06458	6.3
133.10104	18.0
134.99641	2.9
135.08026	5.9
135.11655	5.2
137.05942	1.9
137.09575	4.0
139.07526	1.8
143.08566	9.2
145.10103	6.6
147.08034	8.2
147.11688	8.7
157.10124	8.9
159.11661	11.1
161.09637	5.3
161.11952	2.9
161.13231	38.3
163.11142	5.8
165.09108	2.4
175.02745	3.1
175.07552	1.9
175.11273	8.6
175.14807	9.2
177.12828	1.8
179.14279	7.6
185.13239	19.0
192.94942	1.9
193.03815	4.1
193.10129	2.2
193.12096	1.7
193.15820	2.6
203.14290	13.2
206.10968	3.3
212.10475	1.4
215.42433	1.3
217.07430	3.4
221.08089	1.5
221.11699	4.5
221.13527	3.1
221.15334	76.0
222.15707	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1536
Annotation	ar-Bisabol-9-en-7,11-diol
Peak:m/z	Relative Intensity
51.02384	1.3
53.03951	6.2
55.01860	2.8
55.05512	13.4
56.96557	4.6
57.07055	1.7
65.03941	1.9
67.05505	18.1
69.07065	10.5
69.41207	2.9
69.41630	6.5
71.04978	3.2
77.03924	1.8
79.05494	74.6
81.03411	2.3
81.07056	46.6
83.04974	1.9
83.08616	6.3
85.06534	4.6
91.05486	44.0
93.07043	100.0
94.07365	2.6
95.04975	13.8
95.08608	20.1
97.06542	2.6
105.04518	2.5
105.07034	38.4
106.07378	1.5
107.04965	2.5
107.08595	77.5
108.08888	2.4
109.06527	6.4
109.10159	3.2
111.08066	3.2
117.07030	4.4
119.08584	35.7
121.06491	5.0
121.10143	17.5
123.08073	7.0
129.07019	4.6
131.08562	7.3
133.06528	1.9
133.10121	11.0
135.08060	2.8
137.09613	2.3
143.08548	8.5
145.10121	1.4
147.08018	2.7
147.11664	5.6
157.10152	3.8
159.11720	8.4
161.09653	6.1
161.13258	31.4
165.09131	2.0
175.02753	1.6
175.11208	4.2
175.14890	6.5
179.10674	1.4
185.13252	17.0
188.51651	1.3
199.06410	2.0
203.14346	12.1
206.16205	3.7
217.07457	4.9
221.09561	2.2
221.11856	1.6
221.15373	27.6
221.18738	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	221.1534
Annotation	ar-Bisabol-9-en-7,11-diol
Peak:m/z	Relative Intensity
53.03940	6.0
55.01871	2.1
55.05506	10.1
55.96947	0.8
56.96556	3.0
60.34450	0.8
65.03932	2.9
67.05499	14.3
69.07063	13.4
70.50520	1.5
70.50895	1.5
71.04979	3.4
73.06548	1.8
77.03902	1.6
79.05486	63.6
80.05817	1.4
81.07049	39.3
83.04964	1.5
83.08620	4.3
85.02895	1.4
85.06540	3.7
87.04454	1.3
91.05473	47.1
92.05787	0.8
93.07035	100.0
94.07347	0.9
95.04962	11.9
95.08592	16.4
97.06519	1.8
105.04548	1.0
105.07019	36.4
107.04946	1.5
107.08585	72.2
108.08907	1.2
109.06525	5.7
109.10163	1.6
110.71329	0.7
112.78680	0.7
113.36120	0.8
117.07012	5.5
119.08565	37.1
121.06474	3.0
121.10136	16.8
123.08075	4.7
127.07546	1.4
128.06149	1.1
129.06996	3.2
131.08560	7.1
133.10121	10.8
135.08049	1.6
135.11661	1.4
137.09534	1.2
143.08560	9.5
145.10083	0.9
145.31923	0.7
147.08070	2.7
147.11667	3.0
148.55676	0.7
157.10098	4.2
159.11678	8.0
161.09615	4.4
161.13246	35.3
165.09071	1.2
175.02763	3.0
175.11180	7.3
175.14850	5.2
179.10599	1.0
185.13251	17.1
193.03828	3.0
203.14310	10.5
217.07451	1.8
221.15334	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	221.1535
Annotation	ar-Bisabol-9-en-7,11-diol
Peak:m/z	Relative Intensity
51.64534	1.3
53.03926	2.8
55.01853	5.8
55.05508	16.9
56.96562	11.3
57.07077	6.8
65.03911	3.1
67.05502	21.7
69.03406	2.0
69.07066	19.4
69.28818	2.8
69.29224	13.8
71.04977	8.0
72.08118	2.2
79.05492	48.9
81.07054	33.9
83.04951	4.2
83.08598	6.5
85.02885	2.4
85.06532	2.9
85.46821	1.4
87.04458	3.2
87.69706	1.3
91.05476	67.9
93.06470	3.1
93.07040	59.4
93.17171	1.3
95.04960	8.2
95.08598	20.7
97.06490	2.9
98.97560	2.9
103.05481	1.7
105.07026	95.2
106.07384	2.0
107.04929	3.6
107.08596	36.7
109.06486	8.2
109.10127	4.6
115.05400	2.4
116.98601	5.4
117.07024	14.2
119.08578	94.7
121.06522	8.0
121.10139	15.8
123.08030	5.6
127.07474	2.1
128.06166	3.6
129.06993	13.2
130.06514	1.5
131.08543	12.9
133.06461	6.0
133.10127	34.4
134.99646	5.3
135.08006	5.9
135.11681	3.5
137.05969	1.9
137.09613	2.2
139.07529	2.5
142.07809	1.4
143.08551	12.7
145.10097	2.9
147.08031	23.5
147.11684	11.7
149.09570	2.1
151.07523	4.9
157.10107	6.8
159.11684	14.9
161.09633	20.2
161.13252	100.0
164.98448	1.5
165.09082	11.3
175.02759	3.2
175.07468	2.8
175.11165	10.9
175.14810	13.8
178.78656	1.4
179.10602	5.7
185.13252	26.8
187.79744	1.4
193.03844	1.8
193.12263	1.8
202.79970	1.3
203.10706	1.9
203.14308	32.8
203.17789	1.7
221.04431	2.0
221.07466	2.1
221.11575	2.0
221.13290	3.7
221.15326	47.4
221.17636	2.1
229.20845	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1534
Annotation	Oblongolide
Peak:m/z	Relative Intensity
51.02366	0.8
53.03936	3.8
55.01848	1.4
55.05504	9.4
56.93708	0.9
56.96563	6.1
62.36049	0.8
65.03925	1.9
67.05493	17.2
69.03424	1.2
69.07055	11.7
71.04990	4.6
71.59850	0.9
73.06525	2.1
79.05481	64.7
81.07043	41.8
83.04958	3.1
83.08600	5.2
85.02893	1.0
85.06523	3.9
91.04883	1.5
91.05466	40.9
93.07030	100.0
94.07413	0.9
95.04952	12.2
95.08594	22.5
97.06512	2.2
97.10127	0.8
99.08043	1.1
105.04462	2.3
105.07017	31.6
107.04957	1.2
107.08578	65.5
108.08864	1.6
109.06505	6.9
109.10157	4.6
111.08086	1.6
116.98604	1.1
117.06996	5.4
119.08559	35.8
121.06508	4.0
121.09309	1.4
121.10128	21.0
123.08042	5.6
123.11621	1.1
127.01256	1.2
127.07537	1.4
128.06163	2.1
129.07028	4.2
131.08543	6.1
133.10114	12.0
134.99635	1.0
135.08029	2.7
135.11661	2.3
137.05980	1.0
137.09602	2.1
139.07541	1.1
142.07724	1.1
143.08545	8.3
145.10115	1.6
147.08012	2.8
147.11690	5.4
149.09598	1.0
150.04469	0.8
157.10095	3.7
159.11690	8.5
161.09570	5.1
161.13231	30.1
161.14581	1.8
165.09109	2.3
170.10805	1.4
173.70387	0.8
175.02739	4.2
175.11200	6.5
175.14735	8.3
179.10638	1.3
185.13248	14.4
193.03732	4.0
199.06410	0.9
203.14299	10.2
203.18005	1.4
206.10841	1.6
217.07501	2.1
221.07962	1.1
221.11639	1.2
221.13322	2.2
221.15321	29.1
221.18829	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	221.1536
Annotation	ar-Bisabol-9-en-7,11-diol
Peak:m/z	Relative Intensity
53.03938	7.5
55.01858	5.0
55.05511	18.0
56.96570	12.4
57.03439	2.9
57.07066	2.7
58.73856	1.6
63.37689	1.4
65.03928	1.9
65.62547	1.8
67.05511	31.1
69.03075	1.5
69.07077	16.7
69.94569	1.6
71.04989	5.5
71.59009	1.6
71.59422	2.9
79.05495	67.3
81.03403	3.2
81.07059	59.8
82.06615	1.8
83.04973	5.9
83.08615	11.1
85.02908	2.5
85.06538	4.4
91.05480	46.7
93.07047	100.0
95.04362	3.6
95.04973	67.3
95.08611	32.3
97.02891	2.0
97.06521	8.8
97.10158	2.9
98.97580	1.8
105.04491	1.7
105.07034	47.1
107.04932	4.1
107.08600	75.4
108.05740	3.4
108.08909	3.0
109.06499	12.2
109.10151	8.2
111.04465	2.4
111.08085	4.9
115.05464	2.2
117.07030	5.8
119.08585	40.7
120.08932	2.5
121.02822	2.1
121.06500	10.2
121.10159	18.9
123.08080	8.9
123.11734	2.7
125.09566	1.8
127.07529	2.3
128.98631	1.9
129.06990	7.4
131.08562	9.0
133.06448	1.9
133.10126	18.7
134.99678	2.0
135.08057	3.9
135.11681	5.2
137.05977	2.5
137.09593	3.9
143.08574	7.5
145.10155	5.0
147.08052	3.7
147.11700	8.5
149.01260	2.4
153.09117	2.4
157.10129	6.0
159.11644	9.8
161.09654	8.4
161.13275	32.2
162.13544	2.4
163.11244	3.1
165.09109	2.9
175.08752	3.5
175.11195	6.8
175.14848	11.8
177.00786	2.3
178.07832	2.4
178.13031	1.7
179.14223	3.0
185.13263	20.3
193.03734	2.5
193.10020	1.8
193.15880	2.5
199.06427	3.9
203.14302	11.4
206.16249	5.4
216.11319	1.9
217.07460	9.5
221.09579	5.8
221.11801	3.7
221.15373	45.6
221.18513	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	221.0956
Annotation	H-Met-Ala-OH
Peak:m/z	Relative Intensity
52.92216	0.6
55.01875	3.2
55.05495	1.0
58.99581	0.9
61.01138	2.0
67.05463	0.8
69.07050	1.2
70.06572	0.8
71.33210	0.9
72.04498	1.0
72.08140	1.4
73.01125	0.7
73.02897	2.5
77.00603	1.4
79.05492	0.8
81.07038	1.2
83.08627	0.8
84.04490	2.8
84.08128	1.6
86.06068	16.7
87.02692	2.2
89.00616	2.1
89.07133	0.7
90.05543	0.8
91.05443	1.6
93.07058	1.1
94.06569	0.9
95.04960	0.8
95.08640	0.6
102.03759	1.1
105.00092	64.8
105.03724	0.9
105.07011	1.2
107.04963	1.2
109.10138	1.1
109.53889	0.6
111.08088	1.4
111.66451	0.6
114.03759	1.8
115.02168	3.0
115.08687	2.6
116.01672	0.7
119.08569	1.5
120.08208	0.7
121.06539	1.5
123.01131	1.0
126.05521	9.6
130.06535	8.9
131.04922	0.8
132.04771	14.7
133.03188	100.0
133.10060	1.0
134.03543	1.2
147.04359	1.1
148.07597	0.9
150.05833	7.5
157.07579	5.3
158.06010	10.1
173.05925	0.9
174.05821	3.8
175.08682	13.9
175.14854	1.0
179.10811	0.7
180.64911	0.7
186.05792	1.3
192.06961	2.0
203.08379	4.3
204.06822	3.2
206.16284	1.7
221.09558	22.6
221.11641	1.0
221.15251	0.8
236.00482	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0922
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
53.03932	1.7
55.01872	0.7
55.05500	1.9
56.05025	0.7
59.04997	0.5
65.03937	0.5
65.59260	0.5
67.05492	1.9
69.03410	0.8
69.07062	1.3
70.06593	0.9
70.70301	0.7
70.70651	1.1
72.08174	0.8
77.03909	0.5
79.05479	3.4
81.03415	4.4
81.07050	1.6
82.02930	1.8
83.04998	2.7
85.02928	0.8
86.06836	0.5
90.05560	1.7
91.05440	3.9
91.05962	0.9
93.07059	4.8
94.06559	4.6
95.04954	1.5
95.08592	1.1
97.02914	0.8
97.06536	3.6
99.04464	0.7
103.05462	1.3
105.07032	4.9
107.04937	0.6
107.08582	2.0
109.06515	1.5
109.10176	0.6
111.08080	1.1
115.05447	1.7
117.07015	1.9
119.08611	3.4
120.08070	1.0
120.43733	0.5
121.06513	5.3
123.09152	0.5
125.05969	0.7
128.06247	0.7
129.07034	1.2
130.06528	62.1
131.04941	0.6
131.06825	1.1
131.08563	2.2
132.04454	44.2
133.04825	0.8
133.10092	3.6
135.08070	2.7
142.07758	0.9
143.08559	1.3
145.06459	0.7
145.10107	0.6
146.05992	0.8
147.08035	0.8
147.09145	0.9
147.11670	1.4
147.90285	0.5
148.07559	0.5
149.09610	1.0
153.09081	0.7
157.07613	26.0
157.10146	1.2
158.06012	85.3
159.06441	0.8
159.08087	0.8
161.03004	0.7
161.09607	2.7
175.08670	100.0
175.11172	3.4
176.07092	2.4
176.08987	2.1
179.10675	0.9
186.05493	2.2
203.08144	0.7
203.10857	1.1
204.06564	3.0
206.16292	1.1
221.09212	17.2
221.11710	7.2
221.18343	0.6
222.09622	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.092
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
55.05504	0.6
56.05037	1.0
56.96565	1.1
57.07062	1.0
58.06601	0.6
61.02911	0.7
67.05496	1.2
68.01958	0.6
69.03435	1.8
69.07066	0.7
70.06591	2.4
70.43271	0.7
70.43612	2.3
72.08154	4.6
73.06206	0.6
74.02441	1.3
81.07056	0.8
82.02936	3.5
83.08641	0.8
84.08132	2.9
85.02905	2.6
90.05573	1.1
90.07615	0.6
91.05450	0.7
93.07038	0.8
94.06568	6.0
95.08616	0.8
97.02887	2.5
98.06052	0.7
104.05028	0.8
106.76595	0.6
107.04958	1.8
107.08575	0.9
109.10172	1.3
110.07166	2.9
111.08096	1.3
115.05450	0.9
119.01865	0.8
119.08587	1.0
120.08127	1.5
121.01698	0.6
121.06518	1.5
123.08041	0.7
124.07713	0.6
127.03966	1.2
130.06526	80.3
131.06876	1.6
132.04454	56.7
133.04807	0.7
136.07610	1.2
147.09209	1.1
147.11655	0.7
148.07549	3.9
157.07619	30.1
158.06012	93.9
159.06357	2.3
168.10324	0.7
175.08676	100.0
176.07095	2.0
176.09103	2.8
185.07204	0.6
185.09998	0.7
186.05530	2.9
189.22345	0.6
203.08151	3.8
203.11058	0.9
204.06496	3.8
206.16055	0.7
221.09209	17.1
221.11691	0.9
221.15395	1.1
221.17819	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0921
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
55.01854	0.9
55.05505	1.3
56.05027	0.6
57.03417	2.5
57.07053	0.8
61.02921	3.4
61.03171	0.6
62.19855	0.6
67.04787	0.6
67.05493	1.0
69.03088	0.7
69.03432	11.6
69.03795	0.5
69.07066	1.4
70.06589	3.3
70.76216	1.6
71.01350	1.1
72.08138	2.1
74.02418	0.8
75.02699	3.9
79.05476	0.8
79.88550	0.6
81.03406	2.2
81.07037	2.1
82.02921	2.1
83.08609	1.0
84.04487	1.7
84.08128	1.4
85.02905	30.8
89.99706	0.7
90.05555	1.3
91.05410	0.8
93.07018	1.2
94.06577	3.8
95.04967	0.8
95.08640	1.3
97.02896	8.4
99.04424	1.3
100.02230	0.9
102.05537	0.7
103.05421	0.8
104.04975	1.0
105.07029	1.1
107.04938	1.8
107.08609	0.9
109.02882	1.3
109.10145	1.5
110.07140	1.3
111.08040	1.7
119.08566	0.8
120.08109	1.6
121.06500	2.3
122.06043	0.7
123.08019	0.8
127.03919	9.7
130.06525	70.9
131.06886	1.1
132.04453	45.2
135.08005	0.8
136.07549	2.7
137.09592	0.9
141.48543	0.7
145.04958	1.4
147.09154	1.1
148.07536	2.7
148.08652	0.8
150.09149	0.9
151.07401	1.0
153.09070	1.4
157.07613	28.0
158.06010	83.0
159.06364	1.1
165.09091	0.9
175.08672	100.0
176.07097	2.2
176.08980	1.8
185.07117	0.8
186.05504	2.8
193.15909	0.7
202.98921	0.6
203.08182	7.1
203.11163	1.1
204.06516	3.6
206.16260	1.2
221.07207	0.6
221.09206	17.4
221.11658	0.9
221.15259	1.3
221.18211	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0919
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
51.72033	0.4
70.29800	0.9
70.30193	1.1
81.07039	0.5
82.02943	1.6
94.06568	3.5
103.05465	0.7
104.69695	0.4
106.06542	1.3
115.05437	1.1
117.05740	0.5
120.08103	0.9
125.25089	0.5
130.06523	45.5
131.04961	0.6
131.06851	1.1
132.04446	30.9
132.08052	0.8
133.04829	0.6
134.05998	5.4
146.06033	1.2
147.06364	2.3
147.09158	1.5
148.07568	3.7
157.06320	0.9
157.07611	19.1
158.06007	66.7
159.06468	1.1
160.07587	4.1
162.05505	12.8
171.17010	0.4
175.08664	100.0
176.07106	2.9
176.08958	2.0
186.05492	4.9
203.08104	1.1
204.06564	16.4
204.10178	0.5
221.09201	21.2
222.09460	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	0.6
69.07047	0.5
71.58912	0.7
72.04520	0.4
74.02446	0.5
77.03894	0.4
81.06986	0.5
82.02924	1.3
84.04484	1.8
90.05557	1.4
91.05430	0.5
91.05941	0.4
93.07061	0.6
93.43188	0.4
94.06556	3.7
95.04973	0.5
103.05451	1.0
105.06994	0.6
106.06525	0.7
115.05449	1.4
120.08082	0.7
121.06506	4.5
128.28046	0.4
130.06519	46.4
131.06871	0.8
132.04443	32.9
133.04836	0.6
133.10060	0.4
134.06001	4.1
135.08018	0.8
138.09128	0.5
142.06410	0.6
146.05992	1.2
147.06339	1.4
147.09137	0.5
148.07556	2.7
156.06935	0.8
157.07607	19.1
158.06001	61.5
159.06448	1.0
159.12148	1.1
160.07588	2.4
162.05493	10.3
175.08659	100.0
176.07126	2.3
176.09026	2.0
186.05493	3.9
203.08127	0.5
203.10896	0.7
204.06546	14.5
205.06926	0.6
221.09212	24.1
221.11684	1.1
221.18079	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0808
Annotation	2,6-Dioxo-6-phenylhexanoate
Peak:m/z	Relative Intensity
53.03943	0.5
55.01883	0.9
55.05508	3.0
56.96577	0.8
57.03432	0.4
57.07090	1.1
65.03948	0.3
67.01881	0.9
67.05499	2.4
67.05780	0.2
69.03429	1.4
69.07068	2.8
69.34404	0.7
69.34821	2.2
71.04986	4.8
71.05347	0.3
72.08163	0.8
79.05486	5.2
79.05899	0.4
81.07052	11.8
83.04985	0.8
83.08606	1.7
85.06550	0.5
91.04953	0.2
91.05476	7.7
93.07037	9.0
95.04978	1.2
95.08606	6.7
97.02911	0.3
97.06544	0.8
97.10184	0.6
98.21520	0.7
98.97573	0.4
99.08075	1.4
101.00934	0.4
103.05492	0.8
105.03417	0.6
105.04473	0.3
105.07037	6.8
107.04955	5.5
107.08588	15.4
109.06538	1.0
109.10151	6.0
111.08107	0.7
113.09672	0.4
115.05454	0.3
116.98601	0.3
117.06988	1.9
119.01925	1.0
119.08574	14.6
121.06526	1.1
121.10120	2.6
123.08073	1.0
123.11708	4.6
125.09609	0.5
127.11203	0.9
128.06218	1.1
129.06995	4.6
129.07887	0.4
131.04947	0.5
131.08572	0.6
132.05699	2.7
133.06506	0.8
133.10126	5.9
135.04405	5.8
135.11684	24.0
137.05984	0.8
137.09622	1.1
137.13300	1.0
143.01894	0.5
145.06473	0.4
145.10118	0.8
147.08037	5.1
147.11668	4.9
149.13274	1.5
151.11165	0.9
153.05415	0.5
157.06520	0.6
159.11624	0.5
160.05229	1.7
160.06349	0.3
161.02982	1.2
161.09544	0.3
161.13243	3.1
163.07565	0.9
163.14816	1.0
165.05528	0.3
165.09184	0.4
165.12782	0.7
174.06786	0.4
175.07536	100.0
175.14896	1.0
176.07906	2.4
177.05478	0.4
177.14682	1.1
177.16266	0.5
179.10677	0.3
185.13243	0.4
193.03746	0.3
193.08595	6.8
197.64594	0.3
203.14339	0.3
203.17952	8.2
221.08057	11.6
221.11555	0.4
221.15352	1.0
221.17210	2.9
221.19002	9.2
222.18515	1.1
241.12889	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.8
55.01871	3.5
55.05506	2.9
56.05035	1.2
56.96574	1.4
57.03429	6.7
57.07071	3.3
61.02927	10.3
62.50943	0.8
67.05505	5.5
69.03432	48.3
69.07049	2.3
70.02937	1.1
70.04784	3.8
70.06584	5.2
71.01349	3.1
71.04990	4.1
72.08163	4.8
73.02911	2.7
74.06077	1.0
74.11518	0.9
79.05479	1.7
81.03417	8.3
81.07057	4.1
83.01353	1.4
83.08620	2.9
84.04521	2.3
84.08141	4.7
85.02908	100.0
86.09679	1.5
87.04478	1.2
89.03495	1.1
90.05551	3.2
91.05470	3.2
91.05943	1.4
93.07056	2.2
95.04978	2.1
95.08611	3.0
97.02898	51.1
97.06541	0.9
98.20808	1.0
99.04460	10.3
101.02378	3.6
105.07040	3.1
107.04939	4.3
107.08611	3.1
109.02898	4.4
109.06538	1.8
109.10178	4.0
110.07181	4.3
111.08078	6.2
119.08588	3.4
121.06480	5.3
123.08061	1.2
123.11694	1.6
127.03925	33.6
129.10197	1.2
130.06525	10.9
132.04448	7.8
133.05072	1.1
133.10136	2.9
135.08054	2.3
135.11620	1.1
136.06155	1.2
136.07591	4.4
137.09602	1.6
145.04964	5.1
146.06111	1.0
147.08041	1.4
148.07585	1.1
151.07535	1.5
151.11162	1.1
153.09059	1.4
157.07655	4.3
158.06021	10.9
161.06018	1.1
165.09114	1.4
167.24213	0.9
175.08682	15.0
175.14851	2.6
176.07097	1.1
193.15904	2.4
203.10945	1.6
203.14244	1.1
206.16251	3.8
221.09274	1.6
221.15356	4.2
221.18370	1.7
221.22809	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	220.1696
Annotation	Fabianine
Peak:m/z	Relative Intensity
55.44694	0.1
56.05022	0.1
56.96557	0.2
69.60862	0.3
69.61268	0.6
79.00807	0.1
79.05493	0.1
81.07022	0.1
82.07392	0.1
91.05466	0.2
92.05815	0.1
93.07008	0.2
94.07358	0.1
98.21498	0.1
98.97585	0.1
105.07042	0.3
106.06525	0.2
106.07369	0.1
117.05750	0.1
118.06529	10.1
119.07295	0.4
120.08114	0.6
120.08809	0.1
120.59271	0.1
131.07069	0.1
131.08652	0.1
132.08069	2.9
133.08879	1.2
133.09953	0.2
134.09628	0.7
134.10506	0.2
144.08080	0.3
146.09613	2.9
146.10728	0.2
147.10365	0.3
148.11165	0.2
160.11200	0.5
161.11996	0.2
162.09122	5.8
163.09805	0.1
174.12767	0.1
176.10750	3.9
176.14326	28.5
177.11447	1.4
177.14693	0.5
182.21223	0.1
189.15085	0.3
190.12231	3.3
191.12985	0.4
202.15819	0.9
204.14102	0.2
205.96344	0.1
220.16934	100.0
221.08098	0.1
221.17279	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	220.1331
Annotation	Darlingine
Peak:m/z	Relative Intensity
50.84821	0.5
55.93508	0.6
66.93695	0.5
69.03432	0.8
70.66055	0.9
70.66419	1.1
71.69225	0.4
81.03432	0.5
81.07078	0.6
85.80709	0.5
86.09707	1.2
87.04465	65.1
98.06865	0.5
105.07020	0.6
107.08585	0.5
117.07007	1.0
118.06525	7.6
119.07323	8.1
134.09647	100.0
135.09979	0.6
171.27205	0.5
196.99074	0.6
197.01074	0.6
204.14589	1.2
220.13322	78.0
221.13678	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.3
56.96556	0.3
57.03422	0.4
57.07062	0.6
59.04984	0.6
66.72729	0.3
67.05502	0.7
69.03415	2.2
69.07065	0.6
70.02938	0.5
70.06581	3.0
71.05744	0.8
72.04493	1.6
72.08150	13.6
79.05482	0.8
81.07048	3.9
84.04480	0.6
85.06522	1.4
86.05576	0.5
86.06062	7.7
87.04462	22.1
88.03998	0.4
90.05550	10.4
95.04947	0.9
97.02905	0.7
98.02405	1.3
98.06047	30.0
99.96982	0.3
103.07564	1.0
104.07048	0.4
106.97035	0.3
107.04929	1.0
116.03442	1.5
124.07595	1.8
130.06548	0.7
131.04909	0.9
140.10690	22.0
141.10928	0.4
142.08569	0.4
146.05952	0.3
148.07584	0.9
152.93385	0.4
156.01488	0.4
158.11751	100.0
159.12082	1.4
175.08678	2.0
184.09680	2.0
202.10687	2.2
202.14360	7.5
204.14616	0.7
220.11967	2.2
220.15446	10.4
220.17787	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1178
Annotation	Pantothenic Acid
Peak:m/z	Relative Intensity
55.01860	2.2
55.05510	1.4
56.96566	1.1
57.03428	1.3
57.07068	7.1
59.04998	6.0
61.02914	1.7
67.05504	5.7
69.03419	1.1
69.07054	5.9
69.61284	1.0
69.61695	3.9
70.02950	8.1
70.06571	1.0
72.04509	16.5
72.08147	1.9
73.02916	5.9
73.29794	0.7
74.02429	2.1
77.06328	0.7
81.07043	1.0
83.04956	1.5
85.02891	1.9
85.06534	11.1
86.06083	1.6
86.09686	1.7
87.04460	3.6
87.08084	1.2
90.05547	100.0
94.06561	2.8
95.04955	7.0
96.04475	0.8
96.08128	2.7
97.02869	4.0
98.02403	13.3
98.02983	1.2
98.06049	3.5
98.97561	1.7
100.03954	3.4
103.03922	2.8
103.07568	7.3
107.78817	0.6
111.02921	0.9
112.07593	1.0
113.05971	3.4
114.05563	0.7
116.03439	15.1
116.98607	1.4
119.01879	1.3
120.01985	1.0
121.01630	0.7
121.10321	0.6
124.07585	20.9
130.08604	0.9
131.06987	1.7
133.03461	2.7
140.10698	1.9
142.08617	8.8
148.04726	2.7
148.54858	0.9
151.04515	1.9
156.10234	1.6
158.11760	10.8
160.09691	2.6
164.02219	0.7
166.08661	1.9
174.07619	0.9
174.11272	1.7
178.07149	2.0
182.03293	1.2
184.08118	1.4
184.09671	19.2
202.10733	24.4
204.14590	0.8
220.04695	0.9
220.11777	23.6
220.15439	2.7
220.17525	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	220.118
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.01867	1.2
55.05511	1.1
57.07074	6.8
59.04998	5.6
61.02923	0.8
64.49224	0.5
67.05501	7.0
69.07060	6.5
70.02956	7.1
70.70396	1.3
72.04100	0.8
72.04510	15.1
73.02914	3.4
74.02424	1.7
75.04476	0.7
81.07079	1.3
83.04975	1.4
84.04482	0.7
85.06544	10.4
86.09682	1.2
87.08097	2.7
90.05550	100.0
91.05891	0.7
95.04970	7.8
96.08134	2.2
98.02412	15.3
100.03966	2.9
103.03931	0.9
103.07575	7.8
104.04269	0.7
112.07642	1.3
113.06014	2.0
116.03445	16.1
121.79340	0.7
124.07590	19.7
142.08614	7.4
156.10152	1.2
158.11725	0.8
160.03220	1.7
160.09685	2.4
166.08594	1.7
174.11253	3.2
184.09691	22.6
202.10742	28.7
203.11063	0.7
205.15845	2.2
220.11780	23.0
220.17810	2.4
240.29649	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.0969
Annotation	N-Methylswietenidine B
Peak:m/z	Relative Intensity
50.83842	0.2
56.96556	0.3
57.07078	0.3
64.85229	0.2
65.03935	1.7
69.07063	0.3
70.06578	0.2
70.83101	0.5
72.04472	0.2
75.07921	0.2
75.19687	0.2
81.07046	0.2
84.04510	0.2
84.08133	0.2
86.09721	0.3
86.43852	0.2
91.05479	100.0
92.05817	1.4
95.06070	0.2
105.00150	0.2
105.07040	0.4
110.07155	0.4
119.08597	0.3
120.08926	0.3
133.03224	0.4
136.06168	0.8
140.86862	0.2
145.10139	0.3
146.05994	0.5
158.06036	0.2
161.20287	0.2
177.12752	0.5
202.10750	0.2
204.14673	0.8
205.15866	2.8
220.09694	16.7
220.17848	3.3
221.09853	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.0969
Annotation	(2S,3R)-2-Hydroxy-3-(indol-3-yl)butanoate
Peak:m/z	Relative Intensity
53.03936	1.0
55.05497	1.9
56.05028	2.3
56.96545	2.6
57.03442	1.0
57.07085	4.2
58.06559	1.1
60.62302	1.0
67.05509	1.8
68.05032	8.4
69.03402	0.9
69.53868	6.4
70.06585	1.8
72.04520	6.1
72.08133	2.7
73.02937	1.1
79.05067	1.1
79.05497	18.6
81.07034	2.5
83.03711	1.5
83.04987	0.9
84.04498	4.3
84.08131	3.7
86.09680	1.0
89.86525	0.9
90.05534	2.8
91.05476	17.1
92.05775	1.3
93.07012	3.0
95.04944	2.2
96.04495	2.2
97.02882	1.0
98.97577	2.0
103.05472	22.7
105.07033	100.0
106.07333	3.1
107.04964	18.5
107.08574	1.8
109.02876	1.2
110.07103	1.1
110.09677	1.0
116.98609	2.0
117.05723	1.2
117.07008	3.4
118.06528	2.9
119.08571	3.5
120.08123	14.2
120.08936	2.2
121.02833	0.9
121.06468	1.6
122.10493	1.9
124.07626	0.9
128.06194	2.5
129.07013	19.0
130.06529	16.7
130.07387	1.4
131.04924	7.1
131.07286	0.9
131.08556	1.9
132.08037	1.0
132.08922	1.0
133.06355	1.0
133.10132	2.0
134.09579	1.5
134.10475	1.6
134.99599	1.1
135.07993	0.9
142.07257	1.2
144.08105	4.8
145.06491	2.6
145.10132	2.6
146.05983	2.4
146.09628	16.2
146.99670	1.3
147.08035	1.1
148.03925	1.3
149.05914	2.1
149.09601	1.1
156.08095	20.4
157.06461	3.4
159.33867	0.9
161.05930	1.0
161.09595	1.7
174.09148	82.9
175.07445	7.4
176.07002	2.1
177.00703	1.2
177.12697	3.0
190.09389	3.1
192.06555	3.2
192.10225	2.0
192.17639	1.1
202.05000	1.0
202.10887	1.2
204.14667	10.7
205.07214	1.1
205.15900	29.7
214.07858	1.8
220.06148	2.2
220.09691	49.0
220.17836	39.6
221.09953	1.1
221.11734	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1742
Annotation	12-Sesquisabinenal
Peak:m/z	Relative Intensity
50.47836	0.5
53.03938	2.1
55.01860	1.2
55.05515	5.3
57.07077	1.1
62.40873	0.6
67.05177	1.3
67.05504	15.1
69.03416	0.9
69.07066	4.8
69.81335	4.9
79.05492	21.1
81.03421	1.4
81.07053	16.8
83.04974	1.4
83.08619	2.4
85.06533	0.7
91.05480	17.7
93.07043	22.5
93.07632	1.1
95.04971	4.3
95.08603	10.7
96.40417	0.6
97.06523	1.9
97.10196	1.0
97.68208	0.7
98.21503	0.9
99.83369	0.6
103.59872	0.8
105.07027	9.7
107.04972	4.6
107.08589	10.9
108.71078	0.7
109.06514	1.4
109.10150	3.0
111.08073	1.5
115.05380	0.7
117.07027	6.7
119.08585	9.6
121.06496	2.9
121.10139	13.7
123.08060	1.8
127.51368	0.7
131.08572	11.3
133.10124	6.9
135.08063	1.5
135.11688	4.5
137.09586	1.1
143.08534	0.8
144.09334	0.9
145.10132	6.6
147.11702	1.6
149.13254	0.8
159.11662	3.1
161.09628	1.1
161.13257	3.2
163.11174	1.2
173.13287	1.6
175.14807	1.6
187.11221	0.9
188.11931	1.0
201.16370	4.2
203.14320	19.6
204.14952	1.1
219.17438	100.0
220.17839	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	220.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.1
55.01867	0.3
55.44164	0.1
56.96564	0.1
57.03428	0.2
57.83249	0.1
61.02923	0.6
69.03433	0.5
70.06593	0.2
70.12672	0.5
72.08122	0.1
73.02914	1.0
73.27114	0.1
81.03417	0.4
85.02879	0.8
88.02733	0.1
91.03944	0.2
93.05807	0.2
94.06558	100.0
94.92999	0.3
95.06892	1.0
96.92826	0.3
97.02869	3.5
98.03199	0.1
98.97604	0.3
99.04401	0.2
100.02676	0.1
103.02437	0.9
103.03212	0.2
103.03942	0.4
104.03957	0.2
104.10695	0.1
104.47056	0.1
108.08146	0.1
109.02913	0.3
111.02934	0.6
111.52895	0.1
112.07601	0.1
115.02451	0.2
116.98627	0.3
119.01891	0.8
120.01997	0.3
121.03448	0.5
125.04700	0.4
127.03884	0.3
131.01886	0.4
133.03452	2.9
133.04367	0.2
134.03589	0.5
134.99648	0.2
135.03139	0.2
137.02985	0.2
139.04161	0.9
148.04720	3.4
148.54831	0.5
150.42084	0.1
151.04504	2.2
152.04533	0.3
152.05624	0.3
157.03430	0.2
159.55560	0.3
161.03033	0.2
163.04521	0.2
166.09967	0.2
173.02959	0.2
175.04474	1.0
177.00690	0.2
178.03491	2.6
187.04433	0.7
190.06311	0.1
193.02194	0.9
194.06598	0.4
196.04541	9.4
197.04651	0.3
199.04495	0.2
211.03188	1.9
214.05588	0.3
217.05579	0.3
220.04529	15.5
220.15514	0.2
220.17723	0.5
221.04741	0.6
238.05589	7.6
239.05772	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1338
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
50.70462	0.7
60.04524	100.0
67.05476	1.1
69.07056	1.1
70.02935	1.1
70.06567	0.9
71.01328	0.9
71.09639	0.9
71.09965	1.6
72.08141	1.9
75.04465	1.5
77.95127	0.8
79.05500	1.3
81.07046	1.4
81.88586	0.7
86.09704	75.9
87.05570	3.8
91.05449	1.5
93.07046	2.3
95.08602	1.1
98.97578	2.3
103.03926	1.7
105.07030	2.2
107.08605	0.9
111.08040	0.9
116.98617	1.5
119.08546	3.6
121.10155	4.3
123.08074	1.0
123.69889	0.9
128.10698	2.2
132.10202	42.3
133.10114	2.8
134.99606	1.0
145.10071	1.0
146.05998	1.3
147.11621	1.1
149.09592	1.0
158.11720	1.7
159.02875	2.2
161.09567	1.6
161.13251	1.5
163.96075	0.7
172.09732	1.0
173.12846	17.9
175.14879	1.1
201.12265	3.3
203.14331	18.2
219.13583	4.8
219.17430	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	219.1015
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
50.65935	0.8
51.79334	0.9
54.60408	0.8
55.05505	1.0
56.96547	1.7
57.03421	1.2
67.05483	2.9
69.07045	1.8
71.04978	1.3
71.20997	1.6
78.15971	0.8
79.03522	0.8
79.05470	1.4
81.07027	2.8
91.05488	15.5
93.07042	2.3
95.08586	2.1
97.06541	1.1
103.05441	4.4
105.07012	5.5
107.04980	1.0
107.08578	2.6
109.06451	1.2
109.10067	0.9
115.05443	14.0
116.06210	3.4
116.98605	1.0
117.07021	5.3
119.08582	5.4
121.10123	3.2
123.04398	1.1
128.06201	11.6
129.07004	43.6
130.04062	1.2
130.07697	3.1
131.04913	8.7
131.08560	42.8
133.10124	8.3
135.07945	1.2
137.05957	4.7
141.06981	41.4
143.04909	2.6
143.08543	2.8
144.05695	7.3
145.06474	10.1
145.10104	1.9
146.06042	1.5
146.07198	6.6
147.04430	1.6
147.08093	1.5
147.11700	1.1
148.05132	1.3
156.05719	1.1
157.06461	22.6
158.07254	22.8
159.04431	4.7
159.08043	26.9
159.11658	3.3
160.05174	6.3
161.05873	1.6
161.09599	4.5
161.13245	2.3
162.06709	1.4
163.07500	2.0
168.05656	1.1
169.06474	17.2
169.07764	2.1
170.07278	7.3
171.04445	1.3
171.08028	1.6
173.05992	7.3
173.09573	2.6
174.06757	82.6
175.07545	13.2
177.09122	1.1
177.12634	1.1
185.05974	1.2
186.06750	20.3
187.07428	2.0
188.08305	4.4
189.09096	100.0
190.09497	2.2
191.08998	1.3
191.10631	7.6
201.09091	37.1
201.16402	1.4
203.14296	10.9
205.00630	1.0
219.10138	92.5
219.13757	2.6
219.17418	45.6
220.10347	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1014
Annotation	Bitalin A
Peak:m/z	Relative Intensity
55.05492	3.6
56.96534	5.8
57.03411	3.6
61.88331	1.4
67.05502	7.7
68.23537	1.2
69.07046	3.4
69.59487	10.6
70.47182	1.6
70.80560	1.2
71.04956	3.8
72.08138	1.6
72.93771	1.6
75.04385	1.4
79.05494	8.3
81.04504	3.5
81.07059	11.1
83.04945	2.9
83.08569	2.2
84.53424	1.3
87.04419	1.8
91.04974	1.5
91.05473	22.3
93.06984	7.1
95.04916	3.2
95.08560	5.2
96.47053	1.5
97.06490	3.3
98.97530	4.7
103.05402	3.1
103.90288	1.5
105.07028	17.4
107.04880	6.0
107.08609	7.8
107.09180	1.5
109.06467	3.6
109.10117	3.1
114.04624	1.8
115.05441	15.0
116.06181	4.3
116.98603	3.4
117.05723	1.6
117.06998	8.4
119.04967	1.9
119.08565	13.2
120.04446	2.0
120.08044	2.0
121.06397	2.7
121.10155	10.2
123.04398	2.0
123.08010	3.3
125.05930	1.7
125.09588	2.9
128.06229	10.5
128.98492	1.5
129.07002	41.3
130.07684	5.4
131.04927	7.9
131.08562	47.6
132.08025	3.7
133.06416	1.9
133.10139	19.3
134.99553	2.2
135.08020	3.2
135.11595	2.7
136.07471	1.8
137.05893	6.5
141.06987	38.5
142.07686	1.9
143.08432	4.1
144.05618	6.6
145.06479	11.7
145.10130	9.8
146.03601	1.6
146.05911	10.8
146.07147	6.7
147.06699	5.9
147.07915	3.3
147.11591	5.6
148.07486	5.0
149.05893	2.4
150.28345	1.5
157.06485	20.9
157.10037	1.6
158.06146	1.4
158.07271	22.5
159.02870	2.3
159.04344	4.6
159.08038	30.0
159.09189	2.3
159.11693	11.7
160.05087	5.8
160.07477	6.4
160.98923	1.5
161.09648	7.2
161.13147	4.8
162.06633	1.8
163.07494	3.4
163.11069	2.0
164.06985	3.6
169.06465	15.1
170.07263	7.6
171.08031	1.6
172.94243	2.8
173.05956	10.8
173.09476	3.5
173.10863	1.9
173.13313	2.8
174.06761	78.3
175.07501	12.3
175.14778	2.3
177.09012	2.9
177.12723	1.5
178.08548	3.5
179.03325	1.6
185.13145	1.6
186.06715	18.4
187.08725	8.3
188.08215	3.4
188.11740	1.8
189.09106	91.5
190.95216	2.7
191.06947	3.1
191.08562	3.0
191.10533	7.7
196.98930	2.5
201.05336	4.3
201.07312	2.1
201.09077	39.9
201.12590	3.3
201.16315	3.8
203.12466	2.1
203.14301	31.7
219.08093	7.0
219.10034	100.0
219.13626	5.5
219.17419	94.9
219.19569	2.7
220.17107	2.1
237.02684	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	219.05
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	8.0
55.05513	2.9
56.96564	2.6
57.03423	1.7
59.31199	1.1
60.04507	5.3
61.02929	25.9
62.42556	1.2
67.05495	2.7
69.07052	2.3
70.02680	2.2
70.03093	5.5
71.01353	36.5
72.08140	1.2
75.04481	58.0
79.05486	2.7
81.07042	3.3
83.04990	1.7
84.99249	1.4
86.09690	4.2
87.04471	24.5
89.02391	8.5
90.05563	1.8
91.05459	3.1
93.07034	4.1
95.04917	1.9
98.97581	4.0
103.03944	64.7
105.07030	2.6
107.08580	3.5
109.06533	1.3
110.42156	1.1
111.08090	1.9
116.98618	4.3
117.05753	2.1
117.06968	1.4
118.06556	1.6
119.08600	7.7
120.40053	1.2
121.10167	6.7
130.06522	2.2
131.03415	13.1
131.04947	1.1
131.06052	6.5
132.04430	4.8
132.10222	2.0
133.10127	6.2
134.99635	3.8
135.08055	1.6
135.11659	2.3
145.05234	3.4
145.06470	1.8
145.07594	1.7
145.10162	2.6
146.06009	33.5
147.11720	2.2
155.06012	1.5
156.04506	1.3
157.07581	1.4
158.05992	3.0
159.02892	81.6
161.09627	1.6
161.13258	3.0
173.07153	16.0
174.05447	1.9
175.14767	1.6
177.00697	1.3
187.02379	9.9
187.11127	2.8
188.12007	2.1
189.12729	2.4
201.06609	1.7
203.14319	30.5
204.15158	1.3
219.05014	6.0
219.07646	14.0
219.09691	1.7
219.17439	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1016
Annotation	Bitalin A
Peak:m/z	Relative Intensity
53.03938	1.2
55.01854	1.2
55.05505	4.7
56.96564	6.5
57.03426	3.6
57.07074	1.2
65.03938	1.5
67.05505	4.8
69.03433	0.9
69.07057	4.5
69.31429	5.8
69.31853	2.2
71.04984	3.3
75.39108	0.8
79.05494	7.5
81.07056	11.1
83.04952	2.1
83.08610	1.3
85.02898	2.5
85.06506	0.9
89.03945	1.1
91.05476	19.9
93.07046	7.4
95.04967	2.5
95.08610	4.4
97.06535	3.2
98.21594	1.5
98.97598	4.8
103.05471	4.0
104.04998	1.2
104.08710	0.7
105.07022	17.7
106.04073	1.0
107.04941	2.8
107.08591	7.7
108.05602	1.2
109.06520	2.9
109.10148	3.4
111.04415	1.0
111.08102	0.9
113.09641	0.8
113.14073	1.0
115.05450	13.2
116.06197	4.0
116.98635	3.3
117.07007	10.3
119.01868	0.8
119.04906	0.9
119.08580	11.2
121.06528	2.4
121.10144	8.9
123.04436	4.1
123.08086	3.5
123.11742	1.3
125.09600	1.4
128.06219	12.0
129.06999	43.7
130.07854	4.0
131.04930	8.1
131.05873	1.2
131.08562	46.7
132.05663	1.0
133.06517	1.7
133.10120	22.4
134.99721	1.9
135.04472	1.2
135.08051	4.0
135.11707	2.1
137.05971	4.3
140.06197	1.1
141.06985	38.6
142.07683	0.9
143.04912	2.1
143.08583	3.3
144.05695	7.6
144.09398	1.2
145.02879	1.0
145.06479	10.3
145.10114	10.2
146.07230	6.4
146.99713	1.0
147.04413	1.4
147.08034	1.7
147.11668	4.8
148.05148	0.9
149.05988	2.0
149.09705	2.0
149.13240	1.2
155.06110	1.1
155.08530	2.0
157.06499	21.7
157.07732	1.9
157.10155	3.3
158.07259	23.2
159.02986	1.1
159.04399	4.9
159.08049	32.2
159.11665	13.0
160.05179	5.2
161.05983	3.3
161.09619	5.8
161.13277	3.6
163.07585	2.3
163.11150	2.4
169.06473	14.7
169.07629	1.1
170.07272	7.1
171.04425	1.9
171.08069	2.1
172.94257	1.3
173.05994	6.6
173.09671	3.7
173.13242	5.2
174.06754	77.5
175.07536	11.6
175.11176	1.0
175.14861	1.9
176.04639	0.9
176.08203	1.1
177.00676	1.6
177.09044	1.1
177.12747	1.1
183.11713	1.3
186.06750	20.7
186.08342	1.2
187.07512	2.5
187.11246	1.2
188.08318	4.1
188.12003	1.2
189.09097	100.0
190.09517	1.6
190.95338	2.9
191.10635	8.9
191.14276	1.0
195.05132	1.6
201.09091	39.1
201.12698	3.9
201.16423	3.6
203.14302	20.4
213.96881	1.0
219.06650	2.9
219.10207	89.7
219.13528	12.9
219.17409	71.8
219.20575	1.2
220.10605	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95045	1.1
55.01854	5.4
56.96539	1.4
60.04506	3.5
60.12896	1.3
61.02924	25.6
64.45399	1.1
67.05495	1.4
69.07085	2.5
70.06583	1.2
70.19044	4.4
70.87060	1.1
71.01350	43.1
75.04478	59.4
79.05462	1.9
81.07015	1.6
83.04950	1.3
84.99255	1.4
85.02882	1.5
86.09698	2.7
87.04467	22.0
89.02395	8.0
89.72482	1.2
91.05467	2.1
93.07020	3.4
95.04943	1.4
98.97568	4.6
101.06001	2.7
103.03939	76.1
105.07004	3.6
107.04972	2.0
107.08565	2.3
109.06502	1.2
111.08092	1.3
116.98620	3.6
119.08575	5.5
121.10146	6.1
126.65039	1.2
131.03389	14.4
133.10132	5.8
134.99625	2.3
135.11711	1.8
143.08569	1.6
145.10112	1.6
146.19051	1.2
147.08138	1.2
147.11655	1.4
149.07309	1.1
151.41170	1.1
157.07669	1.5
159.02885	100.0
161.09642	1.8
161.13248	3.2
175.14787	1.4
177.00706	3.2
187.02370	9.8
187.11230	2.0
188.12004	1.3
189.12657	1.5
201.16724	1.1
203.14323	24.6
205.88019	1.4
219.04860	7.1
219.10536	1.7
219.17432	78.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.05
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42641	0.7
52.53513	0.8
55.01849	3.0
55.05491	3.2
56.05013	2.3
56.67211	0.8
56.96561	8.1
57.03434	1.4
57.07062	0.8
58.06588	1.8
59.05001	1.2
60.04519	4.2
61.02914	4.2
65.03919	0.9
67.05486	3.5
68.99780	2.2
69.03414	1.9
69.07068	3.3
69.26226	0.8
70.02964	1.0
70.06594	8.0
70.98128	1.4
71.00965	1.2
71.01350	19.8
71.04984	1.0
71.06913	2.4
71.57217	1.1
72.07758	0.8
72.08154	14.5
73.02899	2.9
73.08492	1.0
73.33189	0.9
74.06091	4.9
74.06409	0.9
75.04485	6.7
79.05486	2.8
81.03396	1.8
81.07036	2.5
83.04978	0.8
84.04484	3.3
84.08129	7.4
84.20525	0.8
85.02889	4.1
85.06502	0.8
85.08478	1.0
86.06031	0.8
86.09701	8.6
87.04474	1.7
87.93208	0.7
89.63452	0.7
90.05549	3.8
91.05466	2.8
93.07021	2.7
93.36617	0.8
95.04983	0.8
95.08609	1.8
96.04483	0.9
97.02867	2.4
97.06491	1.0
98.02406	0.9
98.06024	0.8
98.97582	8.8
101.00922	0.8
101.02357	1.7
103.03935	8.4
103.05415	1.1
105.07030	4.2
105.96296	1.0
107.04947	1.4
107.08570	3.3
109.06486	1.5
110.07224	1.8
111.00180	1.6
111.00805	2.4
116.98593	6.8
117.01852	2.3
118.01100	0.9
119.01878	4.4
119.08580	8.0
120.08104	1.4
121.10142	5.5
123.08028	1.1
124.07609	1.7
127.01528	1.0
127.03995	1.0
128.07120	1.0
128.10674	2.5
128.98604	1.8
129.01787	1.3
130.04977	1.1
130.06512	2.5
130.08615	0.9
131.03410	13.0
131.06056	2.4
132.04453	2.0
132.10233	1.3
133.01559	2.1
133.10133	7.3
134.99617	5.3
135.11656	1.7
137.02922	1.7
145.01331	3.6
145.04959	1.0
145.10034	0.9
145.13333	0.8
146.06001	6.0
146.07155	1.1
146.99619	3.0
147.08038	2.9
147.11649	1.8
148.07599	1.7
149.04532	1.0
157.04982	1.8
157.07559	1.3
158.05981	1.3
159.02882	16.3
160.12442	1.2
161.09581	2.0
161.13290	3.9
165.00748	0.9
168.01816	1.7
170.10892	2.2
173.02963	1.2
173.09613	1.5
173.12933	1.6
174.05472	1.0
175.14799	1.2
177.00723	2.5
177.02293	1.1
185.13071	1.0
187.11177	2.0
188.12048	1.2
189.00797	1.3
191.03889	1.5
195.01805	0.9
196.44304	0.8
201.02412	1.1
201.12257	0.9
202.10728	2.0
202.12328	1.0
203.14302	35.9
219.03473	1.1
219.07710	1.7
219.17429	100.0
237.02933	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49252	15.8
54.62312	15.5
56.44258	16.0
58.67238	15.7
61.93816	16.3
70.86168	48.1
72.19186	16.2
94.06556	100.0
94.92979	92.3
98.97548	39.8
100.29867	15.0
116.98602	38.9
159.83900	18.8
219.17398	37.1
220.04538	20.0
228.76801	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	219.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	8.1
60.04524	100.0
62.12037	7.0
68.40243	8.6
70.92416	16.3
70.92738	10.5
72.08147	21.4
84.04488	23.6
84.08138	25.5
86.09708	69.6
87.68956	7.8
90.05563	17.6
100.94600	7.9
119.01952	12.2
130.04988	7.2
132.10207	36.3
142.04979	8.8
173.12907	11.6
203.14345	11.1
219.17378	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71377	36.2
55.77306	33.9
69.17970	45.1
70.97749	100.0
72.08147	57.1
74.06066	47.1
84.08168	58.1
86.09705	62.0
119.01919	84.7
199.81792	40.4
219.17406	97.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15567	0.8
53.03944	1.2
55.05505	2.1
56.05048	0.8
56.05850	1.1
56.96571	6.7
57.03418	1.6
59.68320	0.8
60.08154	2.0
61.02908	0.9
66.10172	0.8
67.05532	0.9
68.05000	1.3
69.03423	4.1
69.07068	3.1
70.06588	100.0
71.01347	2.6
71.04980	2.8
71.09087	2.3
72.04516	2.5
72.08170	1.5
73.02887	1.4
79.05501	1.9
81.07059	1.9
82.06573	1.5
83.04965	3.1
83.06093	1.1
84.04510	2.2
84.05315	2.0
84.08148	4.4
85.02899	5.4
86.06057	27.3
86.09707	1.3
87.04464	30.1
88.07628	9.3
94.02921	1.3
95.06081	21.3
96.08074	0.8
97.06519	9.4
98.06035	4.4
98.97583	2.6
99.08044	1.4
100.07596	2.4
102.05552	1.2
102.06320	1.0
104.07098	2.7
107.04948	47.0
110.97606	0.9
111.04432	3.8
112.04805	2.6
112.07561	1.6
112.08718	40.3
112.80730	0.9
114.05517	1.2
114.08463	0.9
114.09174	4.0
116.98629	1.7
117.95959	1.1
128.07104	1.2
129.05453	1.2
130.04950	2.2
130.08588	0.9
131.03423	1.8
137.03004	1.0
138.09137	3.9
142.08577	1.3
146.08072	1.7
150.96953	1.3
155.07036	2.1
156.07561	5.4
156.10193	43.7
158.08157	1.2
158.11674	1.7
159.02885	3.1
167.82220	1.0
172.06039	3.5
172.09700	1.8
172.13339	2.2
174.08485	3.6
174.11249	43.9
177.00670	1.4
178.02675	1.1
187.02638	1.4
190.07108	2.3
200.05565	1.7
200.12799	19.5
201.10283	1.1
213.00711	2.6
218.06554	3.4
218.10701	4.3
218.13823	5.4
218.17439	15.8
219.03426	1.1
219.17445	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	218.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.5
56.24236	0.7
56.96568	5.3
57.03435	1.6
59.81585	0.7
60.08163	0.9
69.03421	3.9
69.07056	1.7
69.67279	5.6
69.67594	1.6
70.06581	3.7
70.98122	1.4
71.04990	7.5
72.08149	3.3
73.02909	1.0
74.06076	4.0
80.56836	0.8
80.94244	0.8
81.03416	2.4
82.06579	1.5
84.04517	1.9
84.08134	3.2
85.02915	1.3
86.06064	55.2
86.09699	1.1
87.04465	56.2
88.07632	23.0
95.06087	3.3
95.08584	0.9
97.02909	0.8
97.06507	4.3
98.06047	4.3
98.97585	12.5
100.07610	5.1
104.07126	1.7
107.04955	11.3
110.09666	4.2
111.04430	1.3
112.07609	0.9
112.08739	8.7
114.09194	2.7
116.98627	7.7
119.01894	4.2
120.02006	6.2
121.01663	1.9
122.00240	0.9
128.07104	3.5
131.01976	0.8
134.99677	4.2
137.02979	1.8
138.03065	2.7
138.09146	4.0
139.02661	1.2
141.89227	0.8
146.08125	26.3
146.99673	1.5
149.02930	1.3
152.10718	1.7
156.10196	100.0
157.10622	1.4
160.02820	1.5
161.01239	1.1
165.00751	1.2
174.11255	99.8
175.11676	0.8
175.23518	0.8
177.00720	5.0
177.02281	1.6
178.02634	3.0
179.02243	1.0
182.11751	1.5
194.05226	0.9
195.01695	4.1
200.12823	9.9
218.10480	1.2
218.13905	19.8
218.17245	4.1
221.48633	0.9
237.02696	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.5
56.24236	0.7
56.96568	5.3
57.03435	1.6
59.81585	0.7
60.08163	0.9
69.03421	3.9
69.07056	1.7
69.67279	5.6
69.67594	1.6
70.06581	3.7
70.98122	1.4
71.04990	7.5
72.08149	3.3
73.02909	1.0
74.06076	4.0
80.56836	0.8
80.94244	0.8
81.03416	2.4
82.06579	1.5
84.04517	1.9
84.08134	3.2
85.02915	1.3
86.06064	55.2
86.09699	1.1
87.04465	56.2
88.07632	23.0
95.06087	3.3
95.08584	0.9
97.02909	0.8
97.06507	4.3
98.06047	4.3
98.97585	12.5
100.07610	5.1
104.07126	1.7
107.04955	11.3
110.09666	4.2
111.04430	1.3
112.07609	0.9
112.08739	8.7
114.09194	2.7
116.98627	7.7
119.01894	4.2
120.02006	6.2
121.01663	1.9
122.00240	0.9
128.07104	3.5
131.01976	0.8
134.99677	4.2
137.02979	1.8
138.03065	2.7
138.09146	4.0
139.02661	1.2
141.89227	0.8
146.08125	26.3
146.99673	1.5
149.02930	1.3
152.10718	1.7
156.10196	100.0
157.10622	1.4
160.02820	1.5
161.01239	1.1
165.00751	1.2
174.11255	99.8
175.11676	0.8
175.23518	0.8
177.00720	5.0
177.02281	1.6
178.02634	3.0
179.02243	1.0
182.11751	1.5
194.05226	0.9
195.01695	4.1
200.12823	9.9
218.10480	1.2
218.13905	19.8
218.17245	4.1
221.48633	0.9
237.02696	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.195
Annotation	CHEBI:73881
Peak:m/z	Relative Intensity
53.03932	1.2
55.05259	1.4
55.05505	16.4
56.80698	0.8
57.03422	0.9
57.07062	2.8
59.04989	1.0
65.03933	1.2
67.05167	1.5
67.05502	19.5
68.63580	0.8
69.07063	12.2
71.44267	1.1
71.44626	1.5
73.02879	1.0
79.05486	9.0
79.56139	0.8
81.07057	31.9
83.04974	14.7
83.08627	4.8
85.06500	1.2
87.04453	2.2
89.02382	1.3
89.06023	1.8
91.05478	10.2
93.07042	21.7
95.04935	1.6
95.08602	55.7
97.10154	1.6
99.04440	1.5
101.06006	5.5
105.07024	26.1
107.08589	34.8
109.10148	57.9
111.04436	19.6
113.06013	2.6
117.07014	1.8
119.08576	33.5
121.10143	34.9
123.11703	22.7
124.12026	1.2
127.07538	2.6
129.05478	6.7
131.08528	1.8
133.10124	18.7
135.11693	14.1
137.13251	1.5
143.08502	1.7
145.10118	1.6
147.11679	28.2
149.13242	1.3
155.07021	28.2
159.11742	2.4
161.13249	41.9
161.14598	2.1
163.52196	1.0
173.08101	13.4
175.14824	11.3
189.16365	3.0
199.14717	0.9
217.10660	11.9
217.16003	3.2
217.19501	100.0
218.19742	2.0
222.18065	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.2
55.01856	0.8
55.05505	27.3
56.96531	1.1
57.07046	2.7
59.04974	2.7
67.05167	1.4
67.05503	23.7
69.03420	2.2
69.06712	1.3
69.07061	17.1
69.70921	3.5
69.71323	1.6
70.50705	0.7
71.53597	0.7
73.02879	1.1
79.05488	10.0
81.07054	34.8
83.04979	31.3
83.08611	7.0
85.06530	2.4
87.04447	2.8
89.02382	4.1
89.06025	4.9
91.05480	13.4
91.21703	0.7
93.07042	20.4
93.81778	1.1
95.04945	3.3
95.08601	54.2
97.06527	1.0
97.10141	2.4
99.04434	3.0
101.06013	10.7
105.07024	36.0
107.08588	38.6
108.08968	0.9
109.06497	2.8
109.10149	60.0
111.04443	36.8
111.08067	1.7
112.04739	0.8
113.06013	5.2
115.05415	1.4
117.06979	3.0
119.08573	52.6
120.08909	1.4
121.06381	0.7
121.10136	39.7
122.10401	1.1
123.11711	20.9
127.07578	5.6
128.06258	1.3
129.05475	12.8
129.06990	2.2
131.08553	5.5
133.10123	27.9
135.11685	11.9
137.13243	1.7
142.07735	1.2
143.08536	3.6
145.10127	6.2
147.07980	3.0
147.11678	31.6
148.08690	0.9
149.13235	3.1
155.07022	54.0
156.07310	0.9
156.09329	1.2
157.10143	5.3
159.11658	4.7
161.09668	5.9
161.13251	42.3
162.13734	1.1
169.10051	1.1
171.11673	2.5
173.08095	27.3
173.13269	5.6
174.08476	0.9
174.13974	1.1
175.11134	2.1
175.14803	12.3
187.14822	1.9
189.16335	7.7
199.07939	0.8
199.09653	3.7
199.14825	3.9
217.08832	1.2
217.10655	24.2
217.16046	27.9
217.19490	100.0
218.19797	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.0
55.05513	7.7
55.93509	1.3
56.05861	1.7
56.96559	2.0
57.07074	17.4
58.06598	1.4
58.47525	0.7
58.99579	5.3
59.05006	0.7
60.04515	1.1
61.01140	1.1
62.99073	1.5
65.03900	0.6
67.05515	1.6
68.05014	1.3
69.03425	1.6
69.07064	7.6
69.92628	3.4
70.06587	2.5
72.08141	0.8
72.93785	0.8
73.01142	1.5
73.02916	1.3
74.00663	5.5
75.01441	1.5
79.05499	5.7
81.03425	2.5
81.07055	6.8
82.06600	1.0
83.04987	3.1
83.08617	17.3
84.05325	1.8
84.08145	2.1
84.09396	1.6
85.01133	1.3
85.02917	0.8
86.00671	0.9
86.06097	0.7
86.09694	1.2
87.02718	0.7
87.04490	1.3
88.03986	0.9
89.04270	3.6
89.06046	1.0
89.13337	0.6
90.94862	0.7
91.05485	1.1
92.01704	1.4
93.07040	2.5
95.04995	1.0
95.06087	0.7
96.08128	2.8
97.02889	1.4
98.06048	1.4
98.97584	1.2
99.02670	2.1
100.02190	8.4
100.03974	1.1
101.01788	0.6
101.06013	0.8
101.09664	13.3
102.06326	1.1
106.06451	0.7
107.04961	2.4
108.08092	4.2
110.09682	5.1
111.04462	1.8
112.04123	0.7
112.04758	4.1
112.08694	0.7
113.04237	11.1
113.05975	1.3
114.03780	1.1
115.04552	1.2
115.05793	4.2
116.01701	1.3
116.98641	0.9
117.99616	1.2
123.04430	1.9
124.11221	2.9
126.03741	1.3
126.09181	0.7
127.07582	0.9
128.07077	1.5
129.05493	1.3
130.05875	1.4
130.06860	21.9
131.05238	6.7
133.06819	3.1
134.99675	1.2
138.98433	0.9
139.04543	0.9
140.05263	3.6
141.06061	15.5
144.01155	1.6
145.90359	0.6
146.08127	1.6
150.98459	1.2
152.10712	1.4
154.06853	27.8
154.08681	1.8
155.07060	2.1
156.07411	5.9
156.08434	100.0
156.10188	14.3
162.02182	0.9
163.86130	0.6
167.00180	0.8
169.10966	3.5
170.11789	1.5
171.03127	1.2
172.07948	2.7
173.08081	1.2
174.09570	15.7
179.00139	1.7
185.01204	1.8
186.05872	0.9
194.97398	6.2
197.01228	3.0
200.07401	13.0
200.09131	1.2
200.16479	0.9
201.08165	10.9
212.98462	12.3
213.00464	0.9
215.02289	1.5
216.45277	0.6
217.99199	1.6
218.08459	52.0
218.10886	2.4
218.13956	1.3
218.21115	1.0
219.08598	0.8
221.69193	0.7
235.25270	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1587
Annotation	(+)-Nuciferal
Peak:m/z	Relative Intensity
50.52974	1.1
52.35326	1.1
53.03929	2.0
55.01866	3.3
55.05510	41.0
56.05825	1.4
56.44852	1.3
56.96565	2.1
57.07075	1.9
58.12859	1.3
59.04995	2.3
65.03926	2.2
67.05505	15.9
69.03423	2.9
69.07067	44.9
69.53082	11.1
73.02918	2.2
79.05490	12.6
81.07053	20.9
83.04981	47.2
83.08606	6.0
85.06525	4.1
87.04449	5.6
89.02380	6.3
89.06013	5.5
91.05478	38.6
93.07043	20.9
95.04937	3.9
95.08601	21.7
97.06519	5.2
97.10179	1.3
99.04457	2.7
101.06020	15.5
103.05453	2.6
104.06188	1.5
105.03371	3.0
105.07034	32.7
107.04925	1.7
107.08592	16.1
108.06970	1.2
109.06524	3.3
109.10165	14.2
111.04439	50.5
111.08063	4.3
112.04722	1.6
113.05994	7.4
115.05431	3.0
117.07014	13.3
119.04967	2.1
119.08578	84.1
121.06493	5.3
121.10151	19.9
123.08091	6.5
123.11719	3.6
127.07587	8.7
128.06200	6.2
129.05484	18.1
129.06984	7.8
131.08557	11.2
133.06485	2.2
133.10129	39.2
135.08018	2.0
135.11705	3.2
137.05951	2.1
137.09590	5.0
142.07739	3.9
143.08545	19.4
144.09355	1.7
145.06595	1.7
145.10121	5.7
146.07259	1.9
147.08046	54.4
147.11670	16.6
149.09622	2.8
155.07033	70.2
156.09325	3.3
157.10143	14.2
158.10924	1.9
159.08047	2.4
159.11655	9.1
161.09625	22.1
161.13272	11.9
170.10867	2.5
171.11703	11.2
173.06615	1.5
173.08113	31.1
173.13260	11.8
174.10356	3.2
175.11142	9.9
175.14819	22.9
184.12517	3.9
187.11150	2.1
189.12807	6.2
189.16405	8.7
199.09695	3.1
199.14813	28.0
202.13509	2.1
217.10661	23.6
217.15874	100.0
217.19180	14.9
218.16232	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.195
Annotation	CHEBI:73881
Peak:m/z	Relative Intensity
53.03940	1.9
55.01869	2.1
55.05507	43.0
56.96560	7.1
57.07063	4.0
59.04982	3.0
65.03919	1.2
67.05166	1.9
67.05500	25.5
69.03404	2.1
69.07064	17.2
70.45111	1.0
71.21321	2.0
73.02910	2.3
79.05482	11.5
80.09311	1.0
81.07052	39.6
83.04977	50.7
83.08606	8.6
85.06528	3.8
87.04467	5.3
89.02374	4.5
89.06015	8.5
91.05465	16.2
93.07048	20.6
95.04958	3.1
95.08600	58.0
97.10119	1.3
99.04427	3.2
101.06013	15.5
105.07026	37.5
107.04978	1.3
107.08586	40.6
109.06531	2.0
109.10150	61.3
110.10561	1.5
111.04436	55.8
112.04759	1.0
113.06012	7.2
115.05447	1.2
117.06993	4.5
119.08574	45.0
121.10138	38.1
121.11014	1.8
123.11691	23.3
127.07511	7.1
128.06215	1.5
129.05467	20.5
129.06960	2.4
131.08556	4.1
133.10126	26.4
135.11681	12.3
136.06377	1.3
137.05962	1.7
137.13200	1.8
138.04391	1.2
139.68915	1.1
143.08575	1.7
144.09378	1.2
145.06865	1.5
145.10107	3.1
147.11684	33.5
149.13222	3.0
155.07027	77.9
156.07362	2.3
157.10104	3.0
159.11673	3.2
161.09613	1.5
161.13248	43.4
161.14601	2.3
173.08093	39.5
173.13155	1.9
175.14813	11.7
176.09633	1.1
185.10159	5.3
189.09035	1.2
189.16370	5.2
194.10693	3.2
196.61017	1.6
199.09644	3.5
199.14769	2.7
205.29221	1.1
217.08807	1.4
217.10661	36.4
217.12679	2.7
217.15875	6.5
217.19499	100.0
218.11107	1.7
218.19829	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	217.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57506	0.9
53.03938	3.9
55.01863	2.8
55.05271	1.8
55.05510	25.6
57.03436	1.9
57.07063	1.1
57.21420	1.0
57.68435	0.9
65.03925	2.4
67.05502	29.7
69.07076	7.4
71.04904	3.2
79.05489	36.3
81.03424	1.6
81.07052	25.8
83.04980	16.5
83.08617	10.2
85.06530	2.6
87.04469	2.9
89.06026	2.5
91.05476	87.2
92.05798	1.4
93.07044	25.1
94.27048	1.0
95.04973	6.9
95.08601	21.8
97.06519	4.3
97.10170	1.8
99.08044	1.5
101.06036	5.6
103.05445	3.9
104.06255	1.2
105.07025	65.3
106.07400	1.1
107.04947	9.0
107.08587	14.0
109.06509	3.6
109.10144	4.1
111.04434	16.5
111.08037	1.3
113.05979	2.6
113.09644	2.4
115.05449	6.6
117.07013	37.7
119.08576	46.9
121.06498	5.6
121.10138	9.9
123.08046	2.5
123.11694	1.3
127.07526	2.8
128.06226	6.9
129.05450	4.1
129.07004	33.5
131.08560	32.7
133.06490	2.3
133.10121	19.5
135.08046	6.0
135.11691	2.0
137.06070	1.1
137.09642	1.7
141.06958	1.2
142.07741	3.5
143.08551	20.8
145.10138	8.4
147.08046	3.1
147.11668	3.1
149.09656	2.0
155.07033	25.4
155.08377	1.8
156.09387	1.2
157.10126	19.3
159.11668	2.9
161.09644	2.3
161.13301	1.1
168.63496	1.1
169.10184	1.7
171.11682	7.1
173.08113	10.9
173.13286	2.8
175.14824	2.3
180.06244	1.0
189.16397	4.3
199.09622	1.2
199.14809	24.9
217.10748	10.5
217.15875	100.0
218.16162	2.3
233.43077	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1586
Annotation	(+)-Nuciferal
Peak:m/z	Relative Intensity
53.03924	3.6
55.01856	2.6
55.05507	49.7
55.87898	1.1
56.96552	1.7
57.03425	2.6
57.07047	2.4
59.04984	4.5
65.03928	4.5
67.05499	38.4
67.76009	1.3
69.03427	7.6
69.07059	10.5
70.01927	4.8
71.04984	2.2
73.02911	2.3
79.05486	20.6
81.07049	22.9
83.04974	56.0
83.08627	3.2
85.06517	3.8
87.04461	6.7
89.02380	6.5
89.06021	6.5
91.04961	2.3
91.05476	25.2
93.03431	1.8
93.07036	55.7
95.04955	31.9
95.08600	24.5
97.06504	4.0
98.21357	1.8
99.04432	5.3
101.05372	1.7
101.06017	20.5
105.07022	32.9
107.04931	4.0
107.08584	26.8
109.06525	12.3
109.10145	9.5
111.04433	61.2
111.08057	5.0
113.05981	9.8
115.05418	2.6
117.07001	4.8
119.08572	31.4
121.06484	6.5
121.09309	1.7
121.10136	23.7
123.08066	8.6
125.09616	5.7
126.69678	1.2
127.07547	9.9
128.06187	4.5
129.05478	19.4
129.06995	8.7
131.08545	14.8
133.06526	1.4
133.10124	18.7
135.08060	5.8
135.11665	4.1
137.05951	2.9
137.09627	3.9
141.06946	1.6
142.07744	6.5
143.08557	14.2
144.09308	1.8
145.06471	2.3
145.10132	10.9
146.07233	1.5
147.08047	7.8
147.11671	10.1
149.09578	8.2
149.97339	1.4
155.07019	90.4
156.09338	1.8
157.10121	20.8
158.10818	1.7
159.07959	2.2
159.11679	16.6
160.08783	2.0
161.09601	25.0
161.13225	5.6
162.10365	5.0
169.10109	2.5
171.11700	7.1
173.08096	44.5
173.13190	7.0
175.11166	16.6
175.14809	5.0
189.09129	1.8
189.12752	3.0
189.16385	9.4
199.09651	5.9
199.14798	16.4
217.08855	1.5
217.10684	37.4
217.15858	100.0
218.16089	1.5
218.21049	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.0
56.05030	2.4
64.68156	0.5
68.89108	0.5
70.13788	1.5
70.14189	1.0
71.08628	22.6
83.04985	1.1
83.06108	0.4
84.04500	70.6
84.32689	0.4
85.02903	3.1
87.04465	0.5
88.11264	100.0
89.11578	0.8
98.06057	0.7
102.05524	2.5
111.04421	2.1
112.88778	0.4
114.10087	0.4
115.02676	0.4
120.49976	0.4
130.04999	23.0
153.13855	0.6
155.07030	1.8
171.14915	13.5
172.13339	0.9
173.08154	0.5
199.14406	0.8
200.12805	66.9
201.13199	1.0
217.10696	0.5
217.15468	13.3
217.17607	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1586
Annotation	(+)-Nuciferal
Peak:m/z	Relative Intensity
53.03944	2.4
55.01859	4.4
55.05511	45.7
56.96567	2.8
57.03437	1.2
57.07069	2.2
59.04987	3.7
65.03953	2.9
67.05511	18.1
67.71116	1.2
68.30548	1.0
69.03419	4.2
69.07072	25.6
69.53336	5.2
69.53753	3.9
71.81928	1.2
73.02909	1.6
79.05488	11.7
81.07060	18.8
83.04984	65.9
83.08615	7.5
85.06521	4.5
87.04455	8.7
89.02393	5.6
89.06030	7.3
91.05484	31.7
93.03407	1.3
93.07043	16.3
95.04962	2.7
95.08604	24.0
97.06528	3.2
97.10164	2.1
98.98504	1.0
99.04443	5.2
101.06020	22.5
103.05496	1.6
105.03387	4.0
105.07025	31.4
107.04922	1.8
107.08605	15.8
108.54834	1.3
109.06516	1.5
109.10151	17.5
111.04443	59.4
111.08067	2.0
113.05994	10.8
115.05456	2.6
117.07010	11.4
119.08581	54.7
121.06522	4.4
121.10136	16.1
123.08040	3.3
123.11726	6.1
127.07545	14.6
128.06235	3.3
129.04504	1.7
129.05484	31.1
129.06978	11.6
131.08565	11.3
133.06494	2.1
133.10139	27.0
135.08058	3.1
135.11690	3.6
137.05984	2.4
137.09634	3.6
142.07777	2.2
143.08554	11.6
145.10179	6.9
145.88553	1.4
146.07315	1.7
147.06418	1.4
147.08049	24.6
147.11685	14.2
155.07034	100.0
156.07402	1.7
156.09335	2.6
157.10156	12.0
159.08167	1.3
159.11658	5.9
161.09624	13.4
161.13269	14.3
169.10217	1.2
170.10924	1.3
171.11761	7.8
173.08102	45.0
173.13226	7.5
174.10472	2.9
175.11209	5.5
175.14832	15.8
179.19522	1.1
184.12503	1.8
187.11226	1.3
189.12747	3.0
189.16370	6.3
199.09703	4.0
199.14828	20.5
217.08737	1.8
217.10667	36.5
217.15889	64.6
217.19385	23.7
236.23706	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1585
Annotation	(+)-Nuciferal
Peak:m/z	Relative Intensity
50.57506	0.9
53.03938	3.9
55.01863	2.8
55.05271	1.8
55.05510	25.6
57.03436	1.9
57.07063	1.1
57.21420	1.0
57.68435	0.9
65.03925	2.4
67.05502	29.7
69.07076	7.4
71.04904	3.2
79.05489	36.3
81.03424	1.6
81.07052	25.8
83.04980	16.5
83.08617	10.2
85.06530	2.6
87.04469	2.9
89.06026	2.5
91.05476	87.2
92.05798	1.4
93.07044	25.1
94.27048	1.0
95.04973	6.9
95.08601	21.8
97.06519	4.3
97.10170	1.8
99.08044	1.5
101.06036	5.6
103.05445	3.9
104.06255	1.2
105.07025	65.3
106.07400	1.1
107.04947	9.0
107.08587	14.0
109.06509	3.6
109.10144	4.1
111.04434	16.5
111.08037	1.3
113.05979	2.6
113.09644	2.4
115.05449	6.6
117.07013	37.7
119.08576	46.9
121.06498	5.6
121.10138	9.9
123.08046	2.5
123.11694	1.3
127.07526	2.8
128.06226	6.9
129.05450	4.1
129.07004	33.5
131.08560	32.7
133.06490	2.3
133.10121	19.5
135.08046	6.0
135.11691	2.0
137.06070	1.1
137.09642	1.7
141.06958	1.2
142.07741	3.5
143.08551	20.8
145.10138	8.4
147.08046	3.1
147.11668	3.1
149.09656	2.0
155.07033	25.4
155.08377	1.8
156.09387	1.2
157.10126	19.3
159.11668	2.9
161.09644	2.3
161.13301	1.1
168.63496	1.1
169.10184	1.7
171.11682	7.1
173.08113	10.9
173.13286	2.8
175.14824	2.3
180.06244	1.0
189.16397	4.3
199.09622	1.2
199.14809	24.9
217.10748	10.5
217.15875	100.0
218.16162	2.3
233.43077	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.7
55.01867	5.0
55.05510	100.0
57.03437	23.6
57.07079	0.8
59.04998	5.2
65.03963	1.0
67.05502	12.1
69.03429	4.9
69.07061	11.2
69.65395	4.4
70.06579	1.1
72.08162	2.0
73.02924	2.2
79.05489	25.5
81.07056	15.5
83.04977	48.3
83.08617	22.2
84.05338	0.9
84.08148	1.5
85.06547	3.7
86.06076	0.6
86.09695	1.4
87.04459	7.7
89.02389	4.0
89.06029	6.1
91.05455	3.3
93.03448	0.7
93.07040	0.9
95.08604	1.3
97.06544	0.6
97.10166	41.8
99.04487	3.0
101.06010	17.7
101.09649	1.4
105.07049	3.1
106.15150	0.7
107.08590	15.3
109.06499	1.0
111.04439	48.4
111.08085	1.9
113.06006	7.7
117.07026	0.8
119.08588	0.9
121.06502	1.3
125.09634	18.0
125.10556	0.9
127.07553	7.8
127.13284	0.6
129.05475	20.6
129.06982	1.4
133.06509	0.8
137.06024	2.1
138.82396	0.7
143.08569	1.0
143.10672	1.5
144.08110	1.1
145.06541	1.0
147.06567	1.2
147.11697	0.9
155.07028	75.6
156.07404	1.9
157.10297	0.7
161.01343	0.7
163.44843	0.6
166.99838	0.6
171.11687	1.1
172.07623	1.3
173.08101	32.2
183.06465	0.6
184.07474	0.8
199.09740	3.1
199.11313	0.8
202.07846	3.5
211.06996	0.7
215.08525	0.9
217.10712	31.7
217.14224	21.8
217.19237	0.7
218.10976	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.6
55.01867	0.9
55.05505	17.4
56.96556	1.3
58.99861	0.7
59.04995	1.9
61.79794	0.5
67.05506	1.4
67.58873	0.6
69.03429	1.6
69.07013	0.6
70.06589	1.7
71.58086	0.8
72.08163	1.2
72.93774	0.7
73.02901	1.3
77.00903	2.4
83.04475	1.3
83.04977	25.3
83.08652	1.2
84.04498	0.8
85.02903	0.9
85.06544	1.8
86.06064	1.2
87.04468	3.4
89.02377	1.8
89.06031	4.3
95.01922	0.9
99.04430	1.6
101.00860	8.8
101.06007	11.3
103.02448	1.9
107.34496	0.6
111.04433	28.9
111.08091	0.7
113.05979	4.5
116.98603	0.9
119.01911	100.0
120.02022	2.5
121.03478	2.2
126.09133	0.6
127.07538	4.2
129.04611	1.1
129.05470	10.4
131.01898	3.9
131.05513	0.7
133.03444	1.4
135.01312	0.7
135.05026	1.1
137.02945	55.6
137.05949	1.3
138.03072	1.5
142.03461	2.4
144.95804	0.7
144.99820	0.8
145.03456	11.7
147.01323	1.3
147.04988	0.9
149.02971	2.2
149.06575	2.3
151.04482	0.9
154.08517	0.9
155.07019	40.9
158.08165	0.6
159.01404	6.8
159.05011	2.0
160.04561	0.7
161.02924	0.7
163.04509	6.8
171.01457	0.8
171.05090	1.0
173.02994	1.3
173.06589	5.7
173.08070	23.8
175.04468	0.9
177.02431	38.5
177.05920	1.0
178.02525	1.2
189.02393	3.4
189.06036	1.8
191.07639	4.3
195.03526	1.0
199.02162	0.6
199.09651	2.0
200.03934	1.2
207.03429	1.9
211.61383	0.5
213.43169	0.5
217.03122	3.1
217.06903	19.6
217.10666	21.1
235.02898	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	58.1
56.96561	76.5
57.07072	87.9
57.93547	6.0
59.04993	8.1
67.05490	23.7
69.07063	21.2
69.61644	6.2
70.06590	6.9
71.59654	12.2
72.93767	8.2
72.98518	5.3
79.05479	16.9
81.07050	19.4
83.04980	65.2
83.08627	5.8
85.06558	6.6
87.04478	9.7
89.06037	14.4
90.90385	14.8
90.94808	5.5
91.05470	21.2
92.90079	16.2
93.07049	13.9
95.04922	7.6
95.08606	9.0
99.00026	9.0
99.04456	7.9
101.06009	19.6
105.07011	12.4
107.08589	10.5
109.10178	9.7
110.07256	6.9
111.04440	75.9
111.06681	5.3
113.05973	9.2
115.04060	5.6
116.97218	16.8
117.06992	8.2
119.08569	6.5
120.55465	6.4
121.10123	7.5
126.99456	13.2
127.07524	8.5
129.05479	23.7
131.97418	7.3
134.99666	11.5
143.08562	5.5
144.97775	8.5
150.96870	10.9
151.93819	39.5
151.97040	7.9
152.03569	6.2
155.07031	100.0
159.97995	9.2
173.08107	58.0
175.08827	17.8
182.99617	5.9
184.09319	28.9
189.04404	9.3
190.93332	5.6
193.09813	7.5
193.52489	10.4
195.60100	5.9
202.10271	9.9
205.03159	8.6
205.74637	6.7
207.05652	11.5
209.98489	13.0
212.93953	7.3
216.12210	9.7
216.54094	8.5
217.07457	8.9
217.10640	53.8
217.15773	7.0
227.95256	10.8
229.07501	12.0
229.95131	16.8
230.95119	8.4
234.92804	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	217.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.8
70.06590	4.5
70.28719	1.9
70.72239	3.6
72.08165	3.1
79.70912	2.0
83.04989	7.7
84.08141	8.2
87.04478	2.6
101.00902	9.5
101.06052	3.7
103.02431	13.2
111.04425	6.6
112.07639	2.7
114.09174	5.2
119.01925	100.0
120.01972	3.8
120.03303	9.0
121.01677	6.1
121.03491	16.4
121.87373	2.2
129.05461	5.3
131.01921	11.8
134.39806	2.3
137.02956	61.1
138.03323	2.2
138.04333	7.2
139.02708	4.0
142.03481	2.5
144.04997	2.4
145.03464	84.0
145.05234	3.8
146.03596	2.9
146.04840	2.4
146.08121	4.7
147.01399	6.1
147.04315	4.8
149.02989	7.3
149.05899	5.4
150.03159	2.7
150.04330	2.7
155.01895	2.3
155.07007	17.6
163.04532	67.0
168.05132	2.4
171.01401	4.9
173.02991	9.4
173.08162	7.1
174.04349	3.3
175.03975	3.2
189.02446	24.2
189.04080	3.7
190.03891	2.3
191.04018	4.8
193.02054	3.1
193.04939	6.2
200.12778	2.8
207.03491	17.8
216.84933	11.7
217.02000	4.8
217.05005	5.6
217.10759	5.4
217.15381	4.1
235.02936	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	217.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17564	0.6
55.01867	1.0
55.05511	8.3
56.05027	1.0
56.96567	1.6
57.03418	0.9
58.99866	0.9
59.04990	1.1
60.04508	1.2
60.05642	1.8
67.05499	1.1
69.03439	1.2
70.06593	19.4
70.22825	3.1
71.04986	2.2
72.08147	3.0
73.02870	0.8
74.02434	0.8
74.06070	3.8
76.24221	0.6
77.00909	0.9
77.07497	0.6
83.04981	11.1
84.04507	0.9
84.08137	2.5
85.02920	1.1
85.06528	1.0
86.06062	2.4
87.04456	2.9
88.07626	1.0
89.00880	1.0
89.02385	1.2
89.06031	1.8
96.04484	0.7
98.06051	0.8
98.97603	1.3
99.04447	2.0
101.00873	11.3
101.06029	5.1
103.02464	0.9
109.97274	0.6
111.04441	15.8
111.45726	0.6
112.07590	2.7
112.08717	2.1
113.05997	2.2
113.07117	1.3
114.05538	0.7
114.09162	1.0
115.08688	4.1
116.07100	14.0
119.01917	100.0
120.02028	2.1
121.03486	0.7
122.42425	0.6
126.09129	0.9
127.07547	1.8
129.05487	4.5
129.10233	1.5
130.05026	1.0
130.09769	0.8
131.01907	2.9
131.05551	1.3
133.03473	2.0
135.01378	0.9
135.05060	0.9
137.02950	52.1
138.02989	1.7
142.03517	2.0
145.03447	4.8
146.08171	0.9
147.05008	1.3
149.03029	1.6
149.06593	2.1
154.08609	2.0
155.07031	16.4
156.10240	2.5
157.09700	3.1
158.08128	9.6
158.09305	1.6
159.01399	7.6
159.05019	2.9
161.02953	0.8
163.04543	2.5
171.05055	1.6
173.03012	1.1
173.06606	5.9
173.08105	10.3
174.11232	2.7
175.04578	1.3
175.11963	3.1
177.02448	42.0
178.02664	0.8
189.03580	2.0
189.06129	1.2
191.07643	4.8
195.03557	1.1
199.02180	1.2
199.04529	1.2
200.03990	0.9
200.10320	2.8
212.05237	1.5
217.03223	2.3
217.06975	12.9
217.10738	6.8
217.12968	14.1
235.06691	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	58.1
56.96561	76.5
57.07072	87.9
57.93547	6.0
59.04993	8.1
67.05490	23.7
69.07063	21.2
69.61644	6.2
70.06590	6.9
71.59654	12.2
72.93767	8.2
72.98518	5.3
79.05479	16.9
81.07050	19.4
83.04980	65.2
83.08627	5.8
85.06558	6.6
87.04478	9.7
89.06037	14.4
90.90385	14.8
90.94808	5.5
91.05470	21.2
92.90079	16.2
93.07049	13.9
95.04922	7.6
95.08606	9.0
99.00026	9.0
99.04456	7.9
101.06009	19.6
105.07011	12.4
107.08589	10.5
109.10178	9.7
110.07256	6.9
111.04440	75.9
111.06681	5.3
113.05973	9.2
115.04060	5.6
116.97218	16.8
117.06992	8.2
119.08569	6.5
120.55465	6.4
121.10123	7.5
126.99456	13.2
127.07524	8.5
129.05479	23.7
131.97418	7.3
134.99666	11.5
143.08562	5.5
144.97775	8.5
150.96870	10.9
151.93819	39.5
151.97040	7.9
152.03569	6.2
155.07031	100.0
159.97995	9.2
173.08107	58.0
175.08827	17.8
182.99617	5.9
184.09319	28.9
189.04404	9.3
190.93332	5.6
193.09813	7.5
193.52489	10.4
195.60100	5.9
202.10271	9.9
205.03159	8.6
205.74637	6.7
207.05652	11.5
209.98489	13.0
212.93953	7.3
216.12210	9.7
216.54094	8.5
217.07457	8.9
217.10640	53.8
217.15773	7.0
227.95256	10.8
229.07501	12.0
229.95131	16.8
230.95119	8.4
234.92804	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	216.0866
Annotation	Succinylproline
Peak:m/z	Relative Intensity
51.59402	6.8
52.42219	6.7
53.03928	8.3
54.39830	6.8
55.01871	11.7
55.05520	44.7
55.58315	8.6
56.05031	6.8
60.04520	9.6
66.91344	7.1
67.05497	7.1
68.05016	10.0
70.06593	73.2
70.37616	13.1
71.04984	23.4
71.06906	14.6
72.08137	33.9
72.93771	10.4
73.02912	7.0
74.02439	99.7
79.05498	72.6
80.05009	25.4
81.03405	19.8
83.04975	75.5
84.04459	11.4
84.08145	35.2
85.02906	12.3
87.04472	13.2
91.05472	18.7
91.85586	7.1
94.06560	16.6
95.04977	15.8
95.42086	7.2
97.06532	17.6
101.06019	14.9
106.06558	99.9
107.04961	82.2
108.05733	25.3
109.06466	10.2
110.06034	19.7
110.07135	8.1
111.04437	56.1
116.07087	12.0
117.07439	11.4
118.06547	18.9
123.61182	7.9
124.07612	9.5
125.06029	14.8
126.09137	73.8
127.07534	13.6
129.05472	17.8
129.10223	8.7
132.08107	9.9
134.06004	100.0
135.04411	35.6
136.07555	12.8
139.06235	9.5
150.96904	10.9
152.07066	98.8
155.05908	12.7
155.07051	73.2
165.94019	8.6
170.08138	34.1
173.08073	21.9
180.06516	44.2
183.06026	8.0
198.07574	53.7
198.11235	85.3
216.08760	49.8
216.12321	99.6
216.14287	13.3
217.10764	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	215.223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73844	1.7
52.17949	1.4
55.01864	3.4
55.05495	4.6
56.05012	4.6
56.96557	10.3
57.03431	4.1
58.06599	72.9
61.02909	4.1
61.96609	1.5
64.51942	1.6
68.05029	2.2
68.79047	1.7
69.03418	6.7
69.05837	1.6
69.58591	12.4
70.06593	75.2
71.04984	2.2
72.08153	100.0
73.02911	5.0
80.04986	2.5
81.03403	7.2
84.04427	1.7
84.08142	77.9
85.02895	6.0
86.09691	12.1
87.05585	1.7
89.10773	3.0
96.08110	2.8
97.02876	7.2
98.01328	1.8
98.09689	22.6
98.97579	14.6
99.04447	2.5
100.02490	2.2
101.00876	4.9
101.10773	6.6
104.01286	4.1
110.01286	3.2
110.09683	19.8
110.97557	2.7
112.11179	3.6
113.01772	2.3
115.12351	13.5
116.07092	21.8
116.98615	7.7
118.03522	25.0
119.01897	24.3
124.03942	1.7
125.01774	3.5
126.02823	1.9
126.09087	2.3
127.03532	3.7
127.12302	4.5
128.02309	3.8
128.98613	3.8
129.05112	10.8
129.10220	2.0
129.13875	37.0
130.03499	4.6
131.01909	10.8
133.01630	3.9
133.03471	2.2
134.02313	4.3
134.99696	4.8
136.04550	30.1
137.02917	5.8
137.04596	2.6
140.02328	2.7
141.13843	2.0
142.12303	2.9
143.02853	7.9
143.08145	6.6
144.05034	4.1
145.03441	4.7
145.04581	8.6
146.02296	2.0
146.16515	48.7
146.99661	4.9
147.06157	14.4
148.04536	6.3
149.02896	4.9
150.96877	4.6
152.03383	2.1
152.06993	2.3
154.03441	4.0
155.01814	2.2
155.02905	2.9
160.04623	1.9
161.02881	7.0
163.02554	2.1
165.00659	2.2
167.02818	5.0
170.03288	6.6
171.06203	3.6
172.04539	15.5
173.01485	3.0
173.02777	11.9
173.04178	9.6
180.01346	2.2
188.04044	2.1
189.00734	4.4
190.05634	7.4
191.05135	19.7
197.04045	3.5
198.02483	3.6
198.07658	2.6
198.11264	4.6
198.19650	14.6
206.04358	1.9
207.01724	2.4
214.84932	3.3
215.05214	8.5
215.06839	1.7
215.10327	4.5
215.13879	10.8
216.03413	3.0
216.12311	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	215.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	17.2
55.93511	2.4
56.09701	2.1
56.25505	2.1
56.96563	2.4
57.03431	3.8
67.05515	17.8
69.03423	2.5
69.07053	14.8
70.63639	9.6
70.95872	3.4
71.04994	7.4
72.93793	12.7
79.05491	12.4
81.07058	40.5
82.22345	2.1
83.04989	6.3
83.08613	10.0
85.06543	10.1
90.94827	11.7
91.05475	17.8
92.30981	2.2
93.07059	13.4
95.04979	3.2
95.08610	50.8
97.06519	17.4
97.10139	4.7
98.97602	2.9
99.08105	5.4
105.03395	2.2
105.07043	18.5
107.04938	2.5
107.08569	4.6
108.95895	2.5
109.10161	5.4
111.08109	2.3
116.98604	2.6
117.06979	4.5
119.08577	23.0
121.06491	5.4
121.10138	6.0
123.08073	2.5
129.06985	3.7
131.08533	7.1
132.95834	36.9
133.02846	6.1
133.10126	15.5
135.11679	10.7
137.13280	10.4
141.06888	2.6
145.06487	5.0
145.10144	7.1
149.96124	5.9
149.98500	2.2
150.96893	100.0
151.01457	2.3
155.97464	3.0
159.04420	3.3
159.08003	3.9
159.11694	5.1
161.02335	15.9
161.13243	33.6
167.97206	9.9
168.97919	4.9
169.06461	2.7
173.02354	40.5
173.09663	3.0
173.13426	2.8
173.98428	5.8
179.14317	14.5
186.03156	2.6
187.11229	5.4
191.97163	23.2
197.09509	4.2
197.13419	2.4
197.15373	5.1
207.20903	2.3
209.98152	14.8
215.06970	20.6
215.10683	7.9
215.14227	2.2
215.18117	4.7
234.65111	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1641
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
55.05511	31.5
56.96556	28.2
57.87682	7.4
60.15477	7.8
64.27724	7.2
67.05491	42.4
69.07059	21.4
70.06589	9.6
70.10472	22.3
70.10863	19.4
72.93793	17.6
74.09705	11.7
78.39691	8.2
79.05505	20.7
81.07058	53.0
83.04996	13.3
84.08141	11.5
85.06543	17.6
88.07660	10.0
91.05489	35.3
93.07059	22.2
95.05009	12.4
95.08620	61.3
97.06525	11.8
98.98453	15.4
101.06066	11.6
105.07034	33.1
107.08596	12.8
111.04421	17.7
116.05253	8.9
117.07047	34.4
119.08560	24.6
121.10160	9.8
128.14403	10.2
129.07024	14.3
129.42108	7.6
131.04913	9.1
131.08546	42.0
132.95862	18.8
133.10109	20.9
134.09090	7.9
135.11662	16.0
137.07126	8.8
141.06987	15.6
145.10107	20.7
150.96893	100.0
155.08562	14.8
159.11668	18.0
161.13295	26.8
169.10072	12.4
173.98448	9.9
176.83434	8.7
179.08546	9.0
179.14311	10.9
191.97255	17.7
197.13313	17.8
208.96468	10.0
209.98250	12.8
215.08557	9.4
215.10545	15.0
215.14388	61.1
215.17862	37.4
216.12231	15.3
222.34799	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	215.143
Annotation	3,4-Dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxaldehyde
Peak:m/z	Relative Intensity
53.03932	1.3
55.01860	2.8
55.05517	7.2
56.96562	14.0
57.03423	2.0
57.07051	1.6
65.03936	1.1
67.05174	1.6
67.05504	18.3
69.07062	13.8
70.31576	4.1
74.09702	1.7
74.97621	1.1
79.05487	16.4
81.03411	1.6
81.07046	14.5
83.04964	3.2
83.08595	3.7
91.04900	1.8
91.05475	30.2
93.07040	11.5
95.04964	4.6
95.08607	11.2
97.02329	1.3
97.06527	5.9
98.98451	1.2
103.05460	9.4
105.07022	23.0
107.04957	6.8
107.08591	4.5
109.06499	1.5
109.10149	2.2
115.05465	7.4
116.04961	1.5
116.06216	3.1
117.07014	36.8
119.04929	1.2
119.08572	12.8
121.06502	2.3
121.10154	3.6
125.05437	1.7
127.55660	1.2
128.06209	5.5
129.07008	33.3
130.07825	1.2
131.04880	1.3
131.08560	70.5
132.08946	1.3
132.95850	1.4
133.06490	17.5
133.10146	7.3
134.06030	1.0
135.08041	2.9
141.07001	18.1
142.07707	1.1
143.08556	13.7
144.09320	1.2
145.06490	10.5
145.10117	26.4
147.08028	7.7
147.11671	2.6
149.09641	2.5
150.96889	8.0
151.05162	1.2
153.06978	2.5
154.07719	1.9
155.08549	19.5
156.06557	1.2
156.09303	4.1
157.10077	2.3
158.05878	1.1
159.08029	9.7
159.11687	13.1
161.09601	1.8
167.08524	3.1
168.09331	4.6
169.10112	19.1
171.11671	35.2
173.09644	8.0
173.13243	9.5
175.08818	2.7
182.10846	2.2
183.08380	1.7
184.09366	2.6
187.11086	3.6
187.14796	13.2
188.74797	1.0
193.09911	2.2
195.60043	1.2
197.13255	36.3
200.12038	1.1
215.10800	2.9
215.14311	100.0
215.17899	6.7
215.25685	1.9
216.14613	3.9
238.68402	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1431
Annotation	3,4-Dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxaldehyde
Peak:m/z	Relative Intensity
50.14771	0.7
53.03939	1.3
55.01859	2.9
55.05511	10.2
56.11705	0.9
56.96295	1.1
56.96566	17.6
57.03427	1.6
57.07055	1.6
61.81213	0.8
67.04327	0.8
67.05507	19.4
69.07067	11.5
70.46526	2.8
71.04984	1.7
72.93771	0.9
73.02834	0.8
74.09708	1.7
79.05495	17.2
81.03398	1.7
81.07051	17.0
83.04973	3.6
83.08621	3.3
88.01817	2.1
91.05479	33.9
93.07037	9.5
95.04975	4.2
95.08603	11.5
97.02319	3.1
97.06503	5.3
103.02325	1.4
103.05463	9.6
105.07032	22.7
107.04957	9.8
107.08588	4.4
109.06499	1.5
109.10149	2.1
112.03625	1.0
115.05446	8.2
116.06220	3.4
117.07020	38.4
117.07856	2.0
119.04945	2.0
119.08578	15.3
121.06512	2.5
121.10110	3.2
123.11723	1.0
125.05427	1.9
128.06213	5.7
129.05598	1.5
129.07005	34.5
130.04662	3.6
130.07770	1.9
131.04912	1.6
131.08565	79.2
132.08943	2.0
132.95857	1.8
133.04057	1.0
133.06488	16.9
133.10109	7.1
134.04977	0.8
135.08076	4.5
138.06270	1.3
141.06981	18.9
142.04663	2.0
142.07758	1.8
143.08553	15.3
144.09349	1.6
145.06497	9.3
145.10123	23.8
146.10742	0.9
147.05667	1.6
147.08052	7.6
147.11665	1.1
149.09602	2.3
150.96863	5.3
151.05135	1.4
153.06972	2.1
154.07761	2.9
155.07254	1.2
155.08545	22.4
156.06517	1.7
156.07979	0.8
156.09323	3.7
157.10109	2.5
159.08063	11.2
159.11700	11.8
161.09581	1.9
162.09848	1.4
166.08093	1.0
167.08551	2.5
167.63435	1.0
168.09352	4.0
169.10117	20.4
171.10443	1.5
171.11684	35.9
173.08362	1.2
173.09633	6.7
173.13280	9.1
174.08049	1.8
175.02644	0.9
175.08803	3.5
182.10910	3.6
183.08543	2.2
184.09297	3.2
185.04851	1.4
185.09846	1.0
185.13275	1.4
187.02699	1.1
187.11165	3.8
187.14809	14.9
188.15143	1.1
191.97174	1.0
197.09404	1.1
197.13257	33.4
198.13661	1.3
215.14319	100.0
215.17899	5.0
215.25645	2.8
216.14677	3.5
217.07570	1.4
227.09427	1.3
237.08093	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.143
Annotation	3,4-Dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxaldehyde
Peak:m/z	Relative Intensity
53.03927	1.1
55.01865	1.0
55.05492	2.0
55.93510	0.9
56.96549	2.1
57.03429	1.2
57.07056	1.0
66.95682	0.7
67.05502	4.0
69.03415	1.5
69.07052	2.0
69.83772	0.6
70.06572	0.7
70.95850	2.5
71.04974	2.2
71.21607	0.8
72.93791	5.1
79.05495	4.9
81.07041	4.1
83.04978	0.8
83.08604	0.8
85.66313	0.7
90.94797	4.8
91.05471	7.0
93.07034	5.0
95.04983	3.6
95.08602	4.6
97.06525	0.7
100.26427	0.7
103.05475	0.8
105.03355	0.8
105.07022	10.0
107.08579	3.3
108.95847	1.6
109.06511	2.8
109.10172	0.7
115.05425	1.7
117.06992	3.9
119.08574	8.8
119.36779	0.7
120.07691	0.6
121.06504	4.3
121.10115	1.1
123.08025	1.3
128.06212	2.9
129.06990	8.1
130.07780	1.7
131.08557	19.0
131.97421	1.9
132.95813	11.2
133.06485	1.3
133.10126	5.5
135.08034	2.3
141.06946	4.6
142.06732	1.3
142.07758	14.0
143.08554	14.5
144.09299	2.5
145.06500	3.6
145.10115	24.2
147.07925	1.6
149.96091	2.4
149.98421	1.7
150.96877	37.7
153.06984	1.2
154.07852	1.4
155.08528	6.1
155.97354	1.2
156.09340	9.7
157.10118	49.1
158.07231	2.1
158.10905	12.0
159.08049	10.0
159.11676	7.2
165.07001	1.6
167.08556	10.0
167.97173	3.2
168.97934	2.9
169.10109	10.7
171.08084	1.7
171.11682	11.1
172.08846	2.1
172.12453	9.9
173.09631	14.1
173.13249	30.0
173.98524	3.4
174.10338	0.7
174.13467	0.7
179.08495	1.5
180.09254	1.1
181.10124	1.0
182.10899	22.1
185.09634	5.1
185.13234	0.7
186.10364	2.0
187.11288	4.5
187.14833	9.0
191.97141	7.6
191.99554	1.5
197.09622	1.7
197.13239	33.6
198.13554	0.9
199.11064	1.5
200.11932	8.5
209.98190	6.4
214.98651	1.5
215.10748	4.9
215.14304	100.0
215.17827	4.8
216.14728	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.05508	35.7
55.93508	2.1
56.05030	7.5
56.96570	9.1
58.02972	1.3
58.06586	4.0
59.06125	1.9
60.04521	2.9
67.05522	3.0
68.05014	3.7
69.03429	1.5
69.07053	3.0
70.02955	2.5
70.06599	14.4
70.08798	6.7
70.95854	4.9
70.99070	1.1
71.04987	3.0
71.20856	1.1
72.04524	3.0
72.08145	11.3
72.93794	14.4
73.02910	4.8
74.06074	1.9
74.09726	2.8
74.81597	1.1
75.98238	1.1
81.07057	5.2
82.06563	2.7
83.04961	3.5
83.08135	2.2
83.08616	27.5
84.04507	6.8
84.08151	12.7
85.02910	1.2
86.02457	6.2
86.09700	6.3
87.05590	15.9
88.03983	6.6
88.96883	2.0
90.94836	8.8
91.05450	2.0
95.08590	5.9
96.04478	3.5
98.06063	1.7
98.09688	3.5
98.97577	2.9
98.98485	1.6
99.00807	3.1
99.04413	1.4
100.03979	6.4
100.11263	13.9
101.09630	3.0
102.05511	6.1
107.04904	1.9
108.08087	1.7
108.95858	4.2
110.06029	2.3
110.07157	1.5
110.09678	66.2
110.66432	1.4
111.04472	1.3
112.02212	2.2
112.11249	19.4
114.05508	3.6
114.94777	1.7
116.98613	2.9
119.08552	1.5
124.03979	1.4
124.11244	6.3
126.09161	6.4
126.12813	6.2
129.05399	1.5
129.10255	4.0
130.06540	2.2
131.97450	2.4
132.95831	21.0
134.01274	1.7
134.99675	8.8
141.04834	1.3
142.08644	1.6
149.96091	5.7
149.98485	2.6
150.96886	100.0
152.10728	18.1
152.91502	1.3
153.00684	3.1
154.12274	3.9
155.97414	3.4
156.10199	71.4
157.10469	1.7
159.07971	1.4
161.04843	1.6
167.97192	9.4
168.97966	8.7
169.06329	1.6
169.13370	21.4
170.05998	2.2
170.11754	26.0
173.02332	2.5
173.98499	7.1
179.05563	1.4
180.10214	1.7
188.07108	6.5
191.03398	2.1
191.97189	15.0
198.11253	47.4
209.98212	14.8
214.98872	1.6
215.05031	2.4
215.10748	1.6
215.11870	2.3
215.13914	24.7
216.06525	2.1
216.12230	9.7
216.14064	2.1
229.81308	1.4
238.94655	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	0.9
55.05522	1.5
56.05040	4.6
56.96563	2.9
58.06614	0.9
64.47314	0.6
67.05504	2.2
68.05046	0.9
69.03423	0.9
69.07069	74.6
70.06589	5.3
70.07391	0.9
70.95859	2.2
70.97621	1.3
71.04996	0.7
72.08165	4.5
72.93794	4.7
74.06097	1.0
74.09709	0.8
81.03394	0.6
83.04990	1.1
84.04505	99.8
84.08138	7.5
85.02901	4.3
86.09706	9.5
90.94823	4.6
93.07052	0.7
95.08618	2.2
96.04478	1.1
100.07653	1.0
101.07150	7.6
101.17145	0.7
102.05558	4.4
108.95869	1.4
110.07133	0.6
112.02174	2.5
112.11259	1.1
113.07140	1.4
116.98632	0.7
126.09153	0.9
129.10245	2.1
130.05005	100.0
132.95834	9.5
134.01308	0.9
142.05028	2.5
145.06438	0.8
147.07664	7.5
147.55608	0.6
149.96135	1.9
149.98456	1.2
150.96889	36.5
152.10680	1.5
155.97412	1.0
156.07684	2.5
167.97176	3.7
168.97971	2.9
169.07512	6.0
169.08466	1.2
169.08824	1.1
169.13367	4.9
173.98470	1.4
174.08757	1.0
188.07098	0.7
191.03561	0.9
191.97186	7.8
198.11290	8.2
199.08289	1.4
209.98215	5.6
215.08197	2.3
215.13892	9.0
216.06377	0.7
216.12418	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.7
55.05512	40.9
55.93521	2.1
56.05031	6.3
56.96569	8.1
57.07067	1.7
58.02946	2.4
59.06128	1.6
60.04518	4.6
62.39054	1.4
67.05493	4.0
68.05033	5.0
69.07055	2.6
69.61517	5.0
69.61939	6.4
70.02953	2.5
70.06583	14.5
70.95854	4.1
71.04985	2.9
72.04519	3.7
72.08158	7.9
72.93785	14.1
73.02917	3.9
74.09719	2.1
79.05505	1.9
81.07073	3.3
82.06575	3.6
83.04977	3.4
83.06096	1.8
83.08620	28.2
84.04493	7.3
84.08141	9.0
86.02428	7.8
86.09702	7.1
87.05585	17.5
88.03993	8.9
90.94817	10.4
91.05466	2.2
93.07040	2.9
95.08599	4.3
96.04465	3.5
97.06545	3.7
98.06066	1.7
98.09685	3.4
98.98512	2.7
99.00811	3.2
100.03983	6.8
100.11259	16.7
102.05537	6.6
108.95866	5.7
110.06047	3.0
110.09680	70.1
112.11240	25.7
114.05500	1.6
115.05416	2.5
116.00240	1.8
116.07102	1.6
116.98664	2.5
122.26244	1.5
123.08117	1.6
124.11240	6.6
126.09132	4.8
126.12778	7.2
128.10777	1.9
129.05420	1.6
131.97398	3.7
132.95828	24.1
134.01297	1.9
134.99681	2.5
141.06924	1.5
149.96072	7.3
149.98477	2.5
150.96890	100.0
151.60738	1.7
151.97049	3.3
152.10706	20.6
154.12282	3.5
155.97398	2.1
156.10204	76.4
159.08086	1.9
167.97217	8.9
168.97919	8.9
169.13361	26.6
170.11781	24.3
173.02367	2.4
173.98524	4.3
180.06796	2.6
191.03445	1.9
191.97174	15.2
198.11244	62.8
199.11620	2.0
209.98221	11.3
215.10648	1.6
215.13931	29.8
215.15984	1.5
216.12480	6.8
216.14214	1.5
231.95439	1.5
233.06995	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	214.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05635	1.1
53.99381	1.3
55.01865	2.6
55.05507	57.7
56.05044	1.4
56.05828	3.4
56.96548	2.0
57.03426	2.9
57.07055	3.6
63.27560	1.2
64.97418	1.2
67.05501	31.4
69.03439	1.9
69.07060	46.2
69.33437	13.1
70.06580	2.6
70.95855	2.1
71.04988	4.1
72.93771	6.3
73.06538	2.8
79.05486	14.0
81.07050	84.0
82.06559	2.7
83.04964	5.4
83.08614	45.0
84.08122	3.9
84.08914	1.9
85.06540	7.5
87.04491	1.4
90.94802	4.2
91.05476	17.5
91.58106	1.5
92.08291	2.0
93.07034	19.8
95.04922	4.1
95.08600	100.0
96.08129	1.3
96.08936	1.3
97.06522	13.1
97.10161	12.6
98.09632	1.7
98.97559	2.3
99.08079	2.8
100.07602	1.3
100.11243	18.9
101.06027	1.3
101.11583	8.2
105.07024	20.4
105.18315	1.2
107.04958	9.1
107.08567	5.5
108.05290	2.7
109.06498	4.0
109.10143	9.4
110.09679	1.6
111.04435	1.4
111.08100	3.0
115.07562	3.6
117.06992	1.9
119.08570	27.4
121.10093	6.3
123.08059	10.6
126.09128	1.6
127.07539	3.2
129.99352	1.2
132.95828	9.0
133.02882	1.4
133.10126	18.9
135.11674	14.1
137.09587	5.1
137.13254	19.8
140.10703	1.9
141.09111	1.6
141.11465	5.8
141.61613	15.0
149.96111	2.5
150.96886	33.7
154.12247	5.0
155.61412	1.8
159.04359	1.6
159.11674	2.0
161.02296	3.9
161.13239	48.4
162.13583	1.3
164.40387	1.2
167.97134	4.4
168.97987	1.7
170.06979	1.9
171.11554	1.4
173.02359	5.8
173.98376	1.9
177.00681	1.2
179.08557	1.1
179.14282	8.3
182.15421	7.3
183.15787	6.8
191.97154	7.7
191.99599	1.3
196.16978	14.8
199.18010	5.9
200.18440	6.9
202.98720	1.3
204.64000	2.3
209.31117	1.3
209.96411	1.3
209.98074	6.4
211.15204	1.4
213.67976	8.0
214.08710	1.2
214.10870	1.4
214.18005	60.9
215.07024	2.8
226.16165	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.0587
Annotation	Unknow
Peak:m/z	Relative Intensity
69.95124	43.4
69.95534	87.3
80.05138	26.5
83.38390	25.0
84.08139	66.3
85.02897	39.2
118.03520	39.9
136.04495	47.1
147.06245	25.7
154.59308	23.9
172.04507	31.5
174.56871	22.9
191.05138	27.5
214.05884	31.5
214.10739	100.0
214.85023	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	214.059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	12.8
55.05495	15.1
56.05014	15.5
56.96574	68.0
57.03416	19.5
57.73643	6.4
58.06592	14.8
61.02927	33.5
61.58948	5.7
68.05017	15.6
69.03410	18.9
70.06590	90.4
71.04994	13.9
71.06937	8.6
71.56924	8.0
71.57336	10.3
72.07875	5.3
72.08160	60.8
73.02908	30.2
80.05007	9.1
81.03412	18.1
82.06602	6.4
83.07346	7.0
83.12297	6.4
84.04511	17.0
84.08141	53.6
85.02906	45.6
86.06069	7.3
86.09692	16.3
91.02341	6.6
97.02865	29.6
97.41801	7.5
98.06031	22.9
98.09677	12.5
98.97593	21.0
99.04416	7.8
100.02501	7.3
101.00828	9.0
104.01283	9.9
110.01216	7.0
110.07164	20.6
111.80317	7.1
112.07576	10.8
112.11217	10.1
116.07084	14.0
116.98618	21.4
118.03518	54.2
119.01916	100.0
120.02016	10.6
121.01635	7.5
121.03394	7.5
122.05981	8.6
126.05511	23.8
127.03724	11.8
128.98608	12.1
129.05147	15.8
129.10239	11.1
130.03506	7.3
131.01880	24.3
133.03474	17.9
134.99632	15.7
136.04570	63.4
137.02937	37.9
137.04192	7.9
140.07056	13.6
142.13374	8.0
143.01849	18.5
144.05067	8.1
145.03476	20.2
145.04617	20.3
146.99632	22.0
147.06123	29.0
148.04538	7.7
149.02919	13.7
150.96936	17.4
154.07060	8.9
155.01782	9.8
157.03465	10.3
161.02913	59.5
162.99094	14.4
163.02649	9.6
165.00693	12.0
168.06569	24.5
168.11426	10.1
172.04562	29.9
173.01498	8.5
173.02930	30.7
173.04199	10.1
177.00694	13.0
178.07193	8.4
187.00926	8.1
190.05531	16.6
191.05145	28.9
196.09692	8.3
208.99626	16.0
214.05469	8.5
214.07376	12.8
214.10681	61.3
214.12408	8.5
214.15625	10.8
214.21057	12.5
214.85091	8.8
215.05099	28.2
215.10291	9.4
234.20525	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	213.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51838	0.7
55.01876	1.6
55.05512	2.6
56.05033	1.5
56.96565	8.8
57.03447	1.2
58.06598	11.8
59.89666	0.8
60.05650	0.9
60.91927	0.8
61.02936	1.2
67.05505	1.7
68.05039	2.1
69.03436	2.1
69.07066	3.5
70.06592	78.8
70.66551	2.1
71.06915	1.1
72.08156	97.4
73.02921	2.2
77.00875	1.2
81.03412	1.3
82.06580	1.4
82.99851	1.3
83.06120	1.7
83.08610	0.8
84.04532	1.2
84.08140	17.5
84.08617	1.1
84.96034	0.9
85.02902	2.3
85.07665	48.3
86.09705	39.9
93.04519	1.1
95.05011	1.0
95.06074	1.0
97.02888	1.8
97.06540	4.5
97.07665	1.1
98.06084	1.8
98.09705	2.5
98.97572	1.8
99.09225	6.1
101.00845	3.7
101.10804	1.0
107.04939	4.4
108.04510	0.7
108.08141	0.7
109.07661	1.1
110.07158	8.8
110.09676	0.8
111.04382	0.8
112.08739	0.8
112.11241	15.4
112.12039	0.8
113.11568	0.9
116.07096	11.0
116.98618	2.5
118.03534	3.3
119.01916	38.6
122.07178	1.2
124.95782	1.0
125.10787	0.9
127.03892	0.9
128.98643	1.8
129.13863	5.8
130.03499	1.6
131.01917	4.2
133.03503	0.7
134.05974	0.7
134.99687	2.3
135.40193	0.7
136.04588	1.1
136.06166	1.1
137.02950	23.3
141.10260	0.8
142.03488	1.7
142.13394	97.2
143.13739	1.5
144.05086	1.3
146.99661	1.9
148.97336	0.8
149.02937	2.9
152.07025	1.1
153.06587	1.0
156.07710	1.9
156.14891	1.0
160.08218	0.9
161.01222	0.9
162.09801	2.7
165.00752	1.1
167.09251	0.8
168.06543	1.2
168.08641	0.8
172.04544	2.6
172.08162	1.2
173.03001	1.8
173.06612	1.8
185.06934	0.8
186.09750	27.3
190.05556	0.9
196.08167	1.4
197.06544	1.7
204.10822	16.7
213.12344	9.5
213.20735	100.0
214.09154	10.6
214.10776	1.0
214.21028	2.0
215.07613	1.7
232.10295	27.1
233.08597	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.7
56.05037	4.1
56.96563	21.4
57.03415	7.1
58.06582	10.1
60.04504	3.8
61.02922	18.9
68.05029	3.3
69.03419	8.9
69.07058	3.0
70.06593	68.1
70.77653	8.0
71.04972	2.6
72.08157	87.7
73.02930	15.3
80.05032	3.3
81.03410	3.5
83.06112	3.8
84.04497	5.8
84.08141	25.3
85.02911	17.5
85.07664	46.5
85.08457	2.8
86.09689	8.2
94.93011	3.5
95.04948	3.0
97.02872	10.7
98.06018	2.5
98.97600	12.1
99.04414	3.6
99.09208	5.0
101.00867	3.8
108.04474	4.8
110.01290	4.4
110.06015	4.1
110.07171	28.9
110.97545	3.0
111.02861	2.6
112.07610	2.1
112.11234	18.6
116.07092	8.6
116.98660	6.6
118.03523	2.4
119.01887	20.9
121.01629	2.7
122.06016	4.3
124.95813	3.7
126.05521	6.0
127.03947	3.0
128.02272	7.7
128.98636	3.8
129.13881	4.9
131.01917	21.5
134.99690	4.8
136.03941	18.8
137.02892	9.6
140.07057	4.5
142.13403	100.0
143.01892	4.7
144.53577	2.8
145.03401	3.3
146.99646	7.5
147.04008	3.5
149.02936	6.5
150.05490	4.0
153.06595	25.5
155.01849	4.9
156.07692	6.0
157.03517	3.2
157.35817	2.2
161.01245	2.5
161.02939	14.4
161.27061	2.3
165.00693	4.7
167.08104	3.9
168.06557	5.9
173.02916	11.5
178.04848	2.8
181.13301	2.6
185.02950	4.5
189.00468	3.3
190.98524	3.9
193.00232	3.4
196.06210	3.0
196.09758	2.8
203.04005	7.1
208.99706	3.5
212.85237	26.5
213.02283	3.4
213.08762	8.8
213.12350	9.0
213.20747	92.8
214.10703	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	213.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.8
55.01869	19.9
55.05514	81.4
56.43209	2.4
56.96573	30.1
57.03423	3.7
57.07064	4.2
58.06583	2.6
59.05006	4.0
67.05508	39.5
69.03431	10.6
69.07075	23.6
69.89909	2.4
70.06593	22.6
70.93954	6.5
71.04996	70.0
72.08150	13.8
73.45808	2.5
79.05497	25.6
81.07056	46.5
83.04971	4.7
83.08622	56.3
84.04547	3.2
84.08136	10.2
84.11635	2.2
85.06551	8.6
85.07656	6.4
87.04469	9.0
87.96041	2.4
88.07617	2.9
91.05482	34.2
93.07043	30.1
94.06576	4.9
95.04972	8.3
95.08621	16.3
97.02904	3.3
97.06532	100.0
97.10168	72.9
98.06017	2.8
98.97578	8.1
99.04431	6.0
101.09662	4.0
105.07056	7.3
107.04951	27.8
107.08590	29.5
109.10155	12.8
110.07133	4.0
110.09676	4.7
111.08018	3.5
112.11248	4.2
116.98607	8.8
117.07028	5.9
119.04960	15.4
119.08570	4.0
121.02879	2.5
121.06580	2.8
121.10146	6.1
125.09631	35.8
129.07004	3.5
131.04832	2.3
131.08565	7.3
133.10155	7.0
134.99664	10.0
135.08087	5.3
135.11693	8.6
141.11549	2.3
142.07727	4.0
142.13396	10.7
143.08531	3.9
146.99606	3.7
147.11684	4.6
148.09464	2.8
148.97375	7.2
149.09663	4.9
149.13260	3.3
150.52278	2.7
150.84090	2.4
157.06573	5.2
157.10085	3.0
159.11734	7.5
167.02280	2.6
171.11697	2.8
175.54889	4.5
176.14359	2.5
176.55717	5.0
177.12822	7.2
185.06996	4.3
185.56255	4.5
189.11206	8.8
195.13799	32.2
198.55336	2.8
202.15862	2.6
210.03517	2.8
213.05482	5.2
213.09079	10.1
213.12714	6.7
213.14789	64.7
213.20619	12.3
214.10751	2.6
231.09181	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	213.1484
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
53.03933	3.1
55.01623	1.5
55.01870	20.6
55.05507	77.5
56.90980	1.2
56.96556	5.5
57.03424	2.4
57.07074	1.5
59.04988	2.6
67.05173	2.1
67.05501	28.1
69.03428	7.7
69.07063	19.2
69.78519	4.5
69.78941	2.3
70.06587	3.2
71.04987	71.1
72.93759	1.2
75.94532	1.1
79.05064	1.4
79.05488	23.7
81.03411	1.4
81.07053	33.0
83.04981	7.9
83.08611	52.7
85.02882	2.5
85.06542	7.3
86.00625	2.6
87.04463	11.7
88.02196	1.1
91.05480	7.4
93.07037	22.5
95.04944	4.3
95.08595	12.2
97.02917	1.4
97.06525	99.8
97.10162	71.1
98.06798	1.1
98.97566	8.5
101.05986	2.0
101.09626	2.7
105.07030	5.7
107.04932	3.0
107.08593	22.8
108.08772	1.0
109.06459	2.2
109.10151	16.1
111.08090	5.7
116.98611	4.8
117.07005	4.6
119.08552	2.7
121.06473	2.9
121.10142	6.0
123.08032	5.4
125.09621	44.4
128.98648	1.7
129.06976	2.5
130.96289	1.6
131.08545	4.9
133.10100	5.8
134.99614	3.2
135.08049	8.0
135.11726	6.7
145.10098	1.4
146.99628	1.1
147.02995	1.1
147.11685	3.5
148.97345	4.6
149.09666	2.4
149.13217	5.3
153.09033	2.3
156.40773	0.9
158.99651	2.2
159.11664	5.1
165.12714	1.7
167.08575	1.2
167.14288	1.3
169.05428	3.0
171.10088	1.2
177.00648	3.4
177.12737	7.7
185.09612	2.0
189.11206	8.8
195.08064	2.8
195.13795	42.7
195.32506	1.2
213.02530	3.2
213.05583	2.2
213.07494	2.0
213.09282	2.8
213.14832	100.0
214.15150	1.7
215.00406	1.2
222.08289	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	213.1485
Annotation	(-)-Helicascolide A
Peak:m/z	Relative Intensity
55.01875	12.7
55.05512	75.7
57.16889	2.6
67.05503	26.2
69.03416	8.0
69.07060	15.2
71.04994	69.8
71.14895	5.2
79.05479	16.4
81.07057	29.7
83.04975	5.8
83.08150	3.2
83.08620	45.5
85.06551	3.4
87.04449	8.8
91.05462	6.5
93.07034	18.9
95.08584	10.2
97.06532	100.0
97.10172	61.6
101.09679	3.0
105.07024	2.8
107.08606	21.0
109.10149	12.2
111.08053	5.3
117.06960	3.6
121.10191	2.4
125.09633	34.0
133.10149	3.9
135.08046	6.4
135.11697	5.7
149.13249	5.9
159.11658	4.9
177.12773	6.0
180.05043	2.5
189.11234	8.0
195.13803	41.4
213.14859	83.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1484
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
53.03674	4.5
53.03935	7.2
55.01869	6.6
55.05511	31.1
56.96554	35.7
57.03429	9.9
57.07067	5.5
60.10166	5.1
67.05502	39.9
69.03428	5.5
69.07062	84.1
70.06576	8.4
71.04984	10.5
71.08607	4.7
71.59692	3.7
71.60083	6.2
79.05497	35.8
81.03412	9.0
81.07047	50.1
83.04964	6.0
83.08611	18.0
84.08184	5.5
88.07613	9.9
89.05465	4.1
91.05466	31.1
93.07037	45.9
95.04957	9.0
95.08597	20.8
97.06526	9.8
105.07014	21.4
107.04942	8.8
107.08586	27.2
109.02850	4.9
109.10152	6.9
116.76950	4.3
116.98637	6.5
117.07020	9.5
119.08580	17.2
120.88197	4.7
121.06483	4.5
121.10128	19.5
125.09584	6.7
127.03872	7.0
128.06232	13.5
129.06985	16.5
130.96269	6.8
131.08545	12.2
133.10092	9.4
135.11688	6.2
141.06973	9.3
142.07813	20.5
143.08545	41.4
145.00494	16.9
145.06369	4.3
145.10159	10.5
148.97345	24.7
149.01093	4.8
149.13257	13.9
149.94026	13.5
155.08562	8.0
156.09340	13.0
157.00488	30.6
157.06490	6.1
157.10129	62.1
165.06970	5.5
167.97130	7.6
169.10101	5.7
170.10901	6.9
171.02052	14.5
171.07913	5.4
171.11652	47.3
185.13310	11.5
189.97522	5.3
195.11732	7.8
195.13885	6.1
198.10399	6.4
198.13997	6.1
207.98735	7.5
213.06798	25.1
213.12984	35.3
213.14667	7.3
213.16396	100.0
231.09024	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	213.1486
Annotation	(-)-Helicascolide A
Peak:m/z	Relative Intensity
53.03947	4.8
55.01869	19.9
55.05514	81.4
56.43209	2.4
56.96573	30.1
57.03423	3.7
57.07064	4.2
58.06583	2.6
59.05006	4.0
67.05508	39.5
69.03431	10.6
69.07075	23.6
69.89909	2.4
70.06593	22.6
70.93954	6.5
71.04996	70.0
72.08150	13.8
73.45808	2.5
79.05497	25.6
81.07056	46.5
83.04971	4.7
83.08622	56.3
84.04547	3.2
84.08136	10.2
84.11635	2.2
85.06551	8.6
85.07656	6.4
87.04469	9.0
87.96041	2.4
88.07617	2.9
91.05482	34.2
93.07043	30.1
94.06576	4.9
95.04972	8.3
95.08621	16.3
97.02904	3.3
97.06532	100.0
97.10168	72.9
98.06017	2.8
98.97578	8.1
99.04431	6.0
101.09662	4.0
105.07056	7.3
107.04951	27.8
107.08590	29.5
109.10155	12.8
110.07133	4.0
110.09676	4.7
111.08018	3.5
112.11248	4.2
116.98607	8.8
117.07028	5.9
119.04960	15.4
119.08570	4.0
121.02879	2.5
121.06580	2.8
121.10146	6.1
125.09631	35.8
129.07004	3.5
131.04832	2.3
131.08565	7.3
133.10155	7.0
134.99664	10.0
135.08087	5.3
135.11693	8.6
141.11549	2.3
142.07727	4.0
142.13396	10.7
143.08531	3.9
146.99606	3.7
147.11684	4.6
148.09464	2.8
148.97375	7.2
149.09663	4.9
149.13260	3.3
150.52278	2.7
150.84090	2.4
157.06573	5.2
157.10085	3.0
159.11734	7.5
167.02280	2.6
171.11697	2.8
175.54889	4.5
176.14359	2.5
176.55717	5.0
177.12822	7.2
185.06996	4.3
185.56255	4.5
189.11206	8.8
195.13799	32.2
198.55336	2.8
202.15862	2.6
210.03517	2.8
213.05482	5.2
213.09079	10.1
213.12714	6.7
213.14789	64.7
213.20619	12.3
214.10751	2.6
231.09181	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	213.1484
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03938	0.9
55.05510	18.9
57.03419	0.9
57.07076	11.4
65.03918	0.7
67.05507	5.2
69.03412	1.2
69.07066	3.8
69.78328	0.7
70.44142	1.8
71.04997	1.3
71.66209	0.6
79.05480	4.7
81.07063	7.0
83.04989	10.4
85.06531	5.9
91.05472	4.4
93.07040	11.0
95.04971	1.8
95.08601	10.5
97.06532	7.4
105.07030	3.9
107.04951	1.3
107.08593	22.3
109.06541	4.5
109.10147	2.4
109.10863	0.7
111.04440	100.0
111.08053	3.8
112.04772	2.1
113.05983	1.4
117.07027	1.8
119.08591	1.8
121.06466	3.6
121.10130	2.2
122.07348	0.9
122.61189	0.6
123.08087	1.3
125.05993	31.1
125.09542	0.7
126.06339	1.0
127.07549	3.5
128.06187	0.7
130.07790	2.1
135.07115	1.0
135.08067	14.5
135.11685	23.8
137.13277	1.7
139.07539	4.5
143.08565	0.8
145.10126	17.5
153.12752	5.0
157.10100	0.8
163.11180	23.3
181.12234	34.3
182.12659	0.7
194.40021	0.5
195.13829	4.2
199.99319	0.7
213.09059	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1484
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
53.03942	5.3
53.36678	4.2
55.01861	4.8
55.05514	40.6
56.96568	17.4
57.03424	11.7
57.07059	6.3
59.76588	3.7
67.05506	72.1
69.07063	34.8
69.57497	28.5
70.06581	3.5
71.05001	17.3
72.08164	7.3
79.05492	46.6
81.06584	6.0
81.07056	100.0
83.04984	9.6
83.08616	34.2
85.06549	5.2
88.07626	9.4
91.05472	35.9
93.07039	58.9
95.04969	14.5
95.08615	34.6
97.06532	29.6
97.10176	15.8
98.20700	3.9
105.07023	16.3
107.04943	10.0
107.08603	39.4
109.10171	6.0
111.08076	6.0
113.01570	4.5
117.07024	16.2
119.04929	10.8
119.08498	4.8
121.06422	4.5
121.10113	17.4
123.11674	4.4
125.09635	9.7
129.07001	15.7
131.04930	8.6
131.08583	14.9
133.06522	8.4
133.10089	11.9
135.08026	4.1
135.11700	9.4
142.07800	5.7
142.13371	3.9
143.08554	8.6
145.06480	8.5
145.10121	9.5
149.13275	27.1
153.09091	6.5
155.06058	4.2
156.09279	3.8
157.06479	12.4
157.10080	13.6
159.11694	17.7
169.01357	7.8
171.08064	7.6
171.11697	11.2
185.09578	5.3
185.13271	7.0
195.07863	5.0
195.13814	10.4
213.05383	4.6
213.09146	6.8
213.12987	31.2
213.14815	12.4
213.16374	11.9
213.18135	3.7
214.41095	3.9
228.87053	3.7
231.09085	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	213.0908
Annotation	Benzyl benzoate
Peak:m/z	Relative Intensity
51.21095	0.3
53.44781	0.3
56.96560	1.5
57.28062	0.3
58.42213	0.3
58.51097	0.3
65.03936	7.1
69.56623	0.6
69.57025	2.0
70.06575	1.5
72.08136	0.4
75.15445	0.3
84.08157	0.3
86.09689	0.4
91.05472	100.0
92.05807	1.4
93.07026	0.7
95.04945	0.6
95.06155	0.4
96.09029	0.4
98.97590	0.4
99.04460	0.4
107.04939	3.7
119.04932	71.5
120.05231	0.6
122.17014	0.3
125.05947	0.3
129.06995	0.4
132.98184	0.4
137.05966	36.8
138.06345	0.3
142.07773	0.3
144.05632	0.4
148.97345	0.4
150.99075	1.6
152.06183	1.2
157.06505	0.6
157.10004	0.4
165.06943	1.2
166.07774	0.4
167.08597	1.7
169.00194	0.5
170.07217	0.9
185.07088	0.5
185.09534	1.4
195.08038	3.9
198.06714	0.4
201.20325	0.4
213.09085	38.7
214.09428	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0908
Annotation	Benzyl benzoate
Peak:m/z	Relative Intensity
50.97091	0.4
53.03939	0.6
55.01869	1.2
55.05506	2.0
56.96565	1.8
57.03436	0.7
57.07059	0.4
62.21317	0.4
65.03942	2.2
65.04232	0.4
67.05505	1.3
68.99782	0.5
69.03426	3.0
69.07065	1.3
70.06585	1.1
71.04967	1.0
72.68214	0.4
72.93800	0.4
79.05476	2.2
81.03420	1.2
81.07061	2.1
82.52874	0.4
83.04993	0.6
83.08603	1.4
85.02896	0.7
86.25898	0.4
88.07622	0.6
91.05475	88.4
92.05814	1.6
93.07061	1.4
94.83462	0.4
95.04976	5.4
95.08614	1.0
97.02885	0.4
97.06544	1.2
97.10122	0.6
98.97556	0.5
99.04459	0.6
102.05490	0.5
105.03419	0.9
105.07040	1.3
107.04944	10.6
107.08595	1.2
109.02874	0.5
109.10110	0.5
109.66273	0.4
111.08115	0.4
116.98633	0.8
117.07040	0.5
119.04936	100.0
120.05756	8.7
121.02892	2.0
121.10105	0.7
127.03937	1.6
128.06230	1.3
129.06984	1.7
130.96275	0.7
131.04901	0.6
131.97406	0.4
133.10030	0.5
134.99686	0.9
135.08028	0.5
139.05397	0.4
141.06976	1.4
142.07780	1.7
143.08542	1.5
144.05663	0.8
145.06471	0.7
145.10144	1.0
146.86617	0.4
148.97368	3.5
149.01169	0.7
152.06198	7.9
152.07391	0.6
155.08537	1.3
156.09335	0.8
157.06464	3.3
157.10114	3.4
165.06995	7.7
166.07771	2.4
167.08553	8.4
167.97101	0.6
169.06462	0.7
170.07243	0.8
170.10931	1.2
171.08002	1.2
171.11731	1.1
175.02876	0.4
176.06218	2.7
177.00632	0.4
177.06973	6.3
180.09319	1.5
181.06476	0.7
183.08067	0.8
185.05922	0.5
185.09604	1.7
185.13286	1.2
189.97687	1.1
194.07207	0.7
195.08046	6.8
195.11702	1.8
197.06050	0.7
198.06746	1.4
198.10396	1.4
207.98737	0.7
213.05449	2.7
213.09094	19.2
213.12714	4.3
213.14616	0.7
213.16438	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	213.0637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42225	0.8
58.06580	2.3
63.77963	0.9
70.06594	100.0
70.37816	2.4
72.08155	21.2
84.08137	3.4
85.02888	1.3
85.07665	10.0
93.50472	1.0
94.93000	1.9
95.15778	0.8
96.07401	1.0
99.09209	1.6
110.07151	2.8
110.09641	0.9
112.11230	3.5
116.07095	12.9
117.93647	1.0
119.01842	1.2
129.13846	1.8
131.01904	1.3
136.03928	0.9
142.13396	24.8
153.06638	1.5
153.86693	1.2
181.13353	3.4
196.04836	1.8
212.85187	12.4
213.12370	11.3
213.15982	1.5
213.20724	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00859	3.0
70.08806	14.8
85.42021	3.3
94.93029	16.9
98.21364	4.3
121.37650	2.9
150.42354	2.9
196.04849	5.9
212.85202	100.0
220.73618	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	212.1644
Annotation	Elaeokanine C
Peak:m/z	Relative Intensity
55.01851	2.4
55.05507	15.9
55.38832	0.8
56.05032	100.0
56.05809	2.4
56.96566	6.8
57.03421	3.0
57.07059	1.3
59.84324	0.8
61.02897	0.7
65.03920	2.4
67.05499	45.4
68.05024	5.1
68.05831	2.2
69.03432	5.5
69.06776	0.8
69.07063	10.2
69.65478	6.2
70.02953	10.0
70.03736	0.8
70.06585	12.6
70.07390	1.5
71.04987	7.0
72.04478	1.9
72.08135	1.9
77.61930	0.7
79.05048	1.4
79.05485	20.3
80.05007	2.9
80.05807	2.1
80.58578	0.8
81.03415	9.5
81.07054	41.3
82.03761	7.0
82.06579	12.2
82.07365	4.0
83.04985	8.3
83.07328	0.9
83.08617	6.0
84.05289	4.2
84.08138	4.1
84.08949	2.0
85.02903	2.6
85.06527	3.7
86.06060	1.2
87.04458	0.8
88.95300	0.9
91.05472	13.8
92.05807	3.5
93.07039	18.7
94.06544	2.6
94.07339	2.2
95.04967	5.6
95.08602	16.1
95.09200	0.7
96.05304	1.9
96.08118	10.7
96.08952	1.7
97.02885	4.3
97.06513	3.3
97.10181	1.2
98.06046	5.6
98.10443	0.9
98.20797	0.9
98.97588	7.7
99.04449	0.8
99.08067	1.1
105.07024	10.8
106.06616	0.8
106.07347	2.5
107.04926	3.1
107.08585	10.1
108.08109	0.8
108.08895	1.4
109.02877	0.9
109.06516	3.0
109.10158	11.5
110.06041	1.2
110.09672	3.7
110.97527	1.0
111.08058	2.1
112.07600	1.9
112.08388	1.6
113.05968	1.0
116.98619	8.6
117.06983	3.9
119.08553	3.2
120.08897	2.6
121.06461	0.8
121.10122	4.3
122.09682	1.0
122.10495	1.5
123.04380	1.7
123.08064	1.8
123.11687	1.4
124.07517	1.7
124.08341	0.9
124.11222	1.2
125.09548	0.9
127.03930	1.2
128.98550	1.4
130.07324	1.4
130.96332	1.5
131.08577	4.6
131.97421	1.5
132.08919	1.3
132.12598	0.7
133.06380	0.9
133.10129	7.4
134.10455	3.1
134.99609	5.2
135.08116	1.3
135.11681	4.1
136.07532	2.3
142.04977	1.0
143.00761	0.9
146.99600	1.4
147.11650	3.2
147.96751	0.9
148.12105	1.8
148.97343	3.6
149.09627	2.1
149.13254	8.4
150.10020	0.9
151.07538	2.2
151.11165	1.2
152.07076	2.6
158.10434	2.7
158.99628	2.7
159.11662	6.1
161.01198	1.3
163.03940	1.4
164.97746	0.9
165.12750	2.2
166.08562	1.1
166.15944	3.5
176.11510	2.7
176.14305	3.2
177.00684	4.9
177.12759	4.3
189.97639	1.1
194.08156	2.0
194.12532	5.0
194.15395	77.3
197.01207	1.6
206.98914	1.1
207.13809	1.4
207.98784	0.9
212.03966	1.6
212.13170	2.9
212.16438	85.2
213.09131	1.2
213.16835	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.1643
Annotation	Elaeokanine C
Peak:m/z	Relative Intensity
55.01864	0.6
55.05506	5.2
56.05037	0.6
56.05848	0.8
56.96572	1.7
57.03429	0.8
61.67013	0.3
65.29265	0.4
67.05503	3.6
68.05012	1.9
69.03432	1.2
69.07065	1.4
70.00445	1.9
70.06589	6.1
70.07418	0.6
79.05481	3.0
79.89984	0.4
80.04998	2.2
80.05818	0.6
81.03400	2.9
81.05394	0.5
81.07040	3.8
82.03748	1.3
82.06594	1.8
82.07388	0.9
83.04998	0.9
83.06095	0.4
83.07341	3.2
83.08614	2.3
84.04501	0.6
84.05302	0.9
84.08131	5.3
84.08930	0.6
84.75539	0.4
85.02874	0.6
86.06080	0.5
87.04517	0.4
91.05460	2.3
92.05817	0.8
93.07033	3.0
94.06556	0.9
94.78476	0.4
95.04948	1.0
95.08594	2.1
96.08117	18.2
97.02882	1.0
97.06533	0.8
98.06052	1.2
98.20852	0.6
98.97617	0.5
100.07664	0.5
100.24350	0.4
101.97269	0.4
105.07038	1.4
106.06561	0.4
106.07393	0.4
107.04961	1.2
107.08585	1.4
108.08120	1.0
109.08894	1.7
109.10152	1.2
110.06033	1.7
110.07151	0.6
110.09688	1.6
111.08063	0.7
116.98597	0.9
119.04893	0.5
120.08105	0.7
121.06490	0.4
121.10123	0.4
121.60743	0.4
122.09654	0.7
123.04472	0.5
124.11231	0.5
125.31464	0.4
131.08504	0.5
133.10112	1.0
134.99637	0.4
136.07558	0.7
137.11993	0.4
138.12778	0.8
140.10707	0.5
148.11082	0.5
148.97316	1.0
151.07507	0.4
152.07056	1.4
152.14253	0.5
155.87509	0.4
158.10428	0.7
161.01131	0.4
164.97740	0.5
166.08604	0.5
166.15909	4.7
176.11577	0.5
176.14284	1.9
178.09697	0.7
185.07213	0.4
194.15379	85.5
195.15675	1.7
206.98871	0.6
212.16420	100.0
213.16711	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03945	1.8
53.11895	0.7
53.49849	0.6
55.01866	0.9
55.05505	16.3
57.03428	2.0
57.07072	5.2
59.04990	2.5
64.20334	0.8
65.03924	0.8
67.05501	29.5
69.03428	9.6
69.06718	1.1
69.07064	18.3
70.07025	0.7
71.04989	4.2
71.08612	1.4
76.27184	0.7
79.05477	9.1
81.03410	10.6
81.07051	31.1
82.06604	0.9
83.04972	17.3
83.08613	11.6
85.02912	0.8
85.06533	3.1
91.05469	8.2
93.07037	12.9
95.04974	6.1
95.08598	39.6
96.08868	0.7
97.06519	4.4
97.10143	4.7
98.20686	1.4
98.71991	0.8
99.08101	3.7
105.07015	9.7
107.04954	1.1
107.08582	24.1
109.06513	13.7
109.10147	100.0
111.08059	4.7
113.09619	1.8
115.59747	0.8
117.07034	1.2
119.07781	1.5
119.08572	22.7
121.06479	0.7
121.10138	12.8
123.08065	14.8
123.11700	9.9
124.07554	1.2
125.09624	2.5
127.11153	1.3
128.06177	0.7
131.08549	2.2
133.10126	19.6
133.11082	1.7
135.11681	62.9
136.11951	1.0
137.09610	16.7
139.11166	2.7
145.10072	0.9
145.96616	1.2
147.11679	2.8
149.13251	6.2
151.11185	11.6
151.14806	12.5
153.12738	2.5
157.10176	1.6
163.97714	3.0
165.12733	1.6
165.16388	2.5
169.10158	0.9
175.11293	1.2
175.14819	19.9
179.58171	0.9
181.98756	1.0
189.18419	0.9
193.12271	4.5
193.15846	14.5
194.11688	1.0
205.98744	3.7
210.81009	0.8
211.11272	1.0
211.13211	1.9
211.15073	1.4
211.16968	2.7
212.10745	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03933	5.0
55.01867	12.5
55.05510	42.2
56.96563	12.3
57.03437	16.2
57.07057	5.6
59.04982	2.0
65.03938	2.8
67.05503	71.9
69.03423	8.6
69.06724	2.2
69.07068	30.9
70.06585	3.3
71.04990	12.8
71.08626	3.0
71.58286	2.2
72.08145	4.8
73.06554	2.0
76.80753	1.5
79.05058	2.6
79.05491	32.2
81.03417	36.0
81.07055	92.5
83.04978	36.8
83.08616	26.9
84.08153	6.4
85.02901	2.0
85.06544	13.0
90.63914	1.3
91.05482	44.2
92.05776	2.2
93.06471	2.6
93.07043	41.7
95.04967	24.3
95.08604	77.2
97.02873	4.3
97.06524	19.4
97.10167	10.0
98.06049	2.3
99.04447	2.5
99.08062	6.1
103.05466	2.0
105.06306	3.0
105.07024	50.9
107.04924	5.7
107.08591	42.6
108.08190	1.3
108.08913	1.4
109.05795	1.5
109.06527	21.6
109.10156	100.0
111.04431	2.2
111.08082	49.1
112.11249	1.5
113.06014	4.2
113.09622	2.2
115.05461	1.8
116.98611	1.7
117.07030	3.7
119.08582	71.4
121.06519	1.7
121.09315	2.6
121.10140	40.7
122.07288	2.8
122.09637	1.4
123.08062	53.0
123.08957	2.6
123.11693	31.0
125.09616	7.1
127.07516	2.2
127.11180	3.9
129.07019	10.9
131.08569	8.6
131.09367	1.5
133.06485	3.0
133.10135	53.5
134.10490	2.1
134.99634	1.9
135.08038	2.1
135.10681	2.7
135.11691	47.9
136.07460	1.6
137.09615	98.1
137.13216	5.5
138.10397	11.0
139.11174	4.0
141.06932	2.0
142.07762	4.5
145.10107	3.6
145.18987	1.3
147.08015	2.4
147.11690	40.8
148.11995	1.5
149.09616	4.9
149.13245	14.7
151.11243	6.5
151.14812	10.9
153.07027	1.5
155.08574	2.7
157.10103	13.7
160.12567	1.5
163.11156	4.0
163.97690	3.9
165.07063	2.2
165.12749	16.7
165.16330	2.7
168.05537	1.4
169.10153	2.1
175.11215	13.9
175.14827	48.3
178.13550	1.8
181.98712	2.7
183.08029	3.0
193.12251	9.6
193.15886	25.1
205.98775	3.0
211.05830	1.7
211.07312	6.6
211.11320	2.5
211.13289	4.3
211.15013	2.6
211.16859	16.7
212.09067	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03938	3.0
55.01870	4.6
55.05260	2.3
55.05510	26.7
56.24430	1.3
56.96565	7.4
57.03438	8.6
57.07077	7.6
58.10788	1.1
59.05003	2.0
62.82306	1.3
65.03932	2.4
67.05504	45.2
69.03428	4.1
69.07066	24.3
69.26216	2.2
69.26627	11.0
70.06585	1.4
71.04989	8.6
71.08628	3.0
72.08140	2.1
79.05486	14.2
80.04987	1.4
81.03419	14.6
81.07053	52.5
83.04978	15.6
83.08620	14.5
84.08144	2.0
85.06540	8.3
91.05479	15.0
93.07043	28.8
95.04968	10.8
95.08607	60.3
96.08966	1.7
97.02911	3.4
97.06538	13.6
97.10171	6.0
98.06064	2.7
98.20699	2.4
99.08099	3.6
103.05407	1.7
105.07022	18.8
105.08204	1.1
107.08591	32.1
109.06518	17.6
109.10152	99.4
110.10473	1.7
111.08080	49.3
111.11552	1.2
113.06004	3.3
113.09657	2.0
117.07014	1.8
119.08582	51.2
120.08817	1.3
121.10149	27.1
122.10513	1.2
123.08065	49.2
123.11705	18.1
125.09632	3.7
127.07584	1.5
127.11193	4.2
129.06989	2.7
131.08588	2.5
133.10130	43.2
135.11699	42.4
136.12004	1.4
137.09613	100.0
137.13271	4.4
138.10431	10.5
139.11194	3.8
147.11713	11.7
149.08269	1.9
149.09578	2.3
149.13268	13.8
151.11191	6.6
151.14842	8.7
154.07848	2.4
155.08536	3.7
157.10103	2.1
163.11185	2.4
163.97725	3.3
165.07045	4.1
165.12732	13.8
165.16330	1.9
166.66772	1.5
169.10149	2.5
175.11134	1.5
175.14812	43.2
178.13545	1.9
179.06993	1.4
180.79985	1.3
181.98782	3.4
183.08089	3.3
193.12254	5.2
193.15871	26.3
205.98816	4.7
211.05833	2.9
211.07651	3.6
211.11172	2.7
211.13150	2.8
211.14876	4.1
211.16963	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	211.169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.5
54.67526	1.3
55.01853	5.9
55.05504	45.5
56.96560	7.0
57.03419	5.7
57.07058	4.8
59.04979	4.1
65.03928	3.0
67.05497	55.2
67.38673	1.3
69.03426	15.6
69.06710	2.0
69.07063	25.7
70.06568	1.2
71.04998	6.5
71.08615	1.6
73.02918	2.0
79.05482	33.4
81.03410	78.2
81.07047	62.4
83.04971	46.1
83.08607	36.1
83.40472	1.3
85.06526	8.5
85.94579	2.4
86.06063	1.6
91.05467	37.4
93.07032	26.8
95.04959	31.6
95.08596	51.6
97.02864	2.8
97.06527	7.1
97.10152	7.8
98.06132	1.4
99.04417	1.6
99.08090	4.7
103.05363	1.6
105.07012	27.8
107.04967	7.6
107.08583	33.6
109.06503	17.0
109.10140	100.0
111.04428	2.6
111.08070	12.9
113.09618	1.6
113.11568	1.3
115.05435	3.0
116.98553	1.8
117.06996	2.8
119.08564	37.9
121.02868	5.2
121.04763	1.5
121.06489	3.8
121.10129	16.7
123.08046	17.2
123.11689	11.1
125.09580	5.0
127.07558	1.8
129.07010	7.9
131.08560	10.6
133.06403	1.5
133.10124	29.9
135.07991	1.6
135.11678	55.9
135.12706	3.0
136.40263	1.6
137.09595	18.3
137.13263	2.0
139.11128	2.5
141.06886	1.4
142.07765	3.1
145.10097	2.4
145.96652	2.4
146.97537	1.5
147.08066	3.5
147.11674	16.7
149.09576	6.8
149.13281	5.2
151.07498	2.3
151.11169	12.7
151.14754	10.6
153.12694	4.1
155.08511	2.9
157.10121	13.7
163.97705	14.2
165.12727	5.2
165.16405	2.4
169.10121	2.0
175.08409	4.4
175.11191	12.1
175.14801	15.4
181.98767	5.9
185.06841	1.5
193.10582	2.5
193.12225	24.6
193.13950	1.6
193.14291	1.7
193.15849	15.9
196.12468	1.6
205.29630	1.4
205.98743	16.2
211.07507	3.8
211.11215	2.7
211.13257	11.3
211.14902	3.7
211.16846	3.2
229.07466	3.5
233.19179	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1327
Annotation	(plusmn)7-epi Jasmonic Acid
Peak:m/z	Relative Intensity
53.03944	1.9
55.01860	2.7
55.05507	10.4
56.96554	2.4
57.03431	1.9
57.07079	6.2
65.03938	1.1
67.05502	18.1
69.03419	2.6
69.06722	1.7
69.07069	24.7
69.60522	8.4
71.04980	7.3
73.81852	1.1
79.05054	1.6
79.05490	15.8
81.03419	10.3
81.07053	30.6
83.04983	12.2
83.08613	4.8
84.96259	1.2
85.06538	8.9
88.08863	1.1
91.05480	31.7
93.07037	25.0
95.04973	18.9
95.08608	6.7
97.02869	1.6
97.06514	4.2
98.20821	2.2
99.04458	1.4
105.07027	35.5
107.04945	1.8
107.08608	9.6
109.06516	28.2
109.10140	7.1
111.08050	1.9
113.06011	2.2
119.04856	1.1
119.08569	11.1
121.10137	4.8
123.08042	2.2
123.11691	4.8
125.05994	2.6
127.07551	3.2
129.06989	3.5
131.08565	11.3
133.06471	1.8
133.10127	100.0
137.05978	13.1
137.13319	1.2
141.06950	1.7
147.08012	1.2
147.10512	1.6
147.11681	28.0
147.12804	2.0
149.09593	2.9
151.07553	3.9
151.11177	57.4
155.07018	18.6
155.08517	3.9
157.10153	2.9
165.06985	3.0
165.12816	5.7
169.08757	1.9
169.10126	6.1
175.11186	11.3
183.11723	2.1
193.12247	23.3
211.05750	1.1
211.07510	1.6
211.11295	2.4
211.13269	14.2
211.14937	3.6
216.37531	1.1
224.90636	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1327
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03933	11.0
55.01871	12.5
55.05510	48.1
56.96555	11.5
57.03424	13.0
67.05501	53.3
69.03427	9.4
69.07061	29.3
69.25157	4.5
71.04987	13.9
79.05495	56.2
81.02978	8.5
81.03419	100.0
81.07051	77.3
82.04758	5.2
83.04991	57.9
83.08632	33.2
85.06540	5.5
90.75301	5.1
91.05473	55.9
93.07045	38.2
95.04969	30.9
95.08601	42.9
97.06513	10.1
97.10180	6.9
99.08069	5.9
105.07040	43.1
107.04955	11.4
107.08562	9.5
109.06490	7.2
109.10168	13.9
111.08103	6.4
113.05973	5.5
117.06996	6.0
119.08585	36.8
121.10173	15.2
123.08025	5.9
123.11674	5.5
125.09674	6.1
129.06976	16.8
131.08574	11.9
133.06503	6.0
133.10133	34.7
137.06007	6.1
137.09628	7.5
141.06972	14.3
142.07790	7.4
147.11690	19.7
151.90758	5.0
153.06958	7.0
155.08546	15.4
157.10123	24.3
163.02870	4.9
163.97728	8.2
165.07002	6.1
169.10120	32.0
175.11195	17.1
175.14856	6.6
181.98773	5.4
183.04469	5.6
183.08165	6.2
183.11699	16.8
193.10515	5.5
193.12178	28.5
211.08914	6.0
211.11443	5.9
211.13237	13.8
211.14961	35.1
229.19839	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	211.1328
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.00292	1.5
53.03927	5.8
55.01856	6.5
55.05506	50.3
56.05026	10.6
56.96552	2.2
57.03436	9.7
57.07081	1.7
59.55010	1.6
67.05498	46.6
68.42988	1.9
69.03429	14.2
69.07053	16.6
70.06580	2.0
70.89357	3.5
70.89692	2.5
71.04993	20.3
77.83357	1.6
77.83756	1.4
79.05486	45.7
81.03413	100.0
81.07050	56.3
83.04979	54.6
83.08141	2.2
83.08612	35.3
85.02836	2.4
85.06531	5.7
87.04424	1.8
91.05475	53.2
92.85446	1.5
93.07036	26.5
95.04966	41.0
95.08595	17.5
97.02864	5.2
97.06535	7.5
97.10172	7.6
98.97562	1.5
99.08102	1.9
105.06378	2.6
105.07029	38.0
107.04926	6.8
107.08582	11.5
109.06514	9.4
109.10120	5.3
111.04404	2.7
111.08076	13.5
113.03477	3.5
115.05405	2.3
116.98648	2.2
117.06927	1.6
119.08570	24.6
121.10138	9.5
123.08054	4.6
125.05962	2.3
128.98558	2.0
129.06993	13.2
131.08554	16.8
133.06470	6.1
133.10117	37.2
134.99693	1.6
135.11642	2.4
137.05940	1.7
137.09595	1.9
142.07759	2.5
145.10074	2.2
145.96603	2.2
147.08031	4.8
147.11684	24.3
149.09612	9.8
149.13278	2.0
151.07497	1.6
151.10115	1.8
151.11185	17.5
155.07010	1.7
157.10124	18.4
158.40645	1.6
160.10840	1.5
163.97716	5.6
165.12744	6.1
175.11183	22.7
179.00104	1.6
181.98778	2.4
193.12225	42.5
194.15382	6.0
205.98767	5.2
211.07518	1.8
211.13287	16.1
212.16438	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	211.1328
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
51.44120	3.6
53.03952	9.1
55.01862	11.5
55.05511	49.2
56.96566	58.0
57.03420	12.4
57.07058	10.2
59.04989	3.4
61.13872	3.7
65.03929	4.0
67.05187	4.9
67.05513	79.7
69.03429	18.4
69.07077	27.8
70.06577	6.1
71.04985	15.4
71.58974	3.8
73.96841	4.3
74.97603	4.6
79.05497	65.1
81.03423	30.3
81.06583	5.7
81.07056	91.3
83.04997	35.4
83.08640	18.6
84.08135	3.6
84.29665	4.4
85.06533	9.7
87.04471	11.2
91.05482	85.3
93.07052	39.3
95.04375	5.5
95.04969	100.0
95.08612	35.8
95.72019	3.6
97.02863	5.3
97.06540	22.3
98.06072	6.3
99.04462	4.6
101.06039	3.8
105.07043	45.2
107.04930	17.1
107.08596	45.5
109.06512	21.9
109.10136	11.7
111.04440	7.9
111.08070	7.9
113.06022	6.5
115.03941	4.6
115.05350	4.6
116.33702	4.0
117.07034	9.2
119.08568	39.4
121.10136	14.9
123.08043	8.0
123.11693	9.6
125.09616	6.7
126.02531	4.2
127.07555	6.0
129.07002	22.7
131.00201	4.0
131.08549	15.4
133.06444	5.1
133.10117	30.0
134.99605	5.1
135.02521	4.0
135.08049	21.9
135.11691	7.0
137.13338	3.8
141.06960	10.6
143.08521	6.9
145.10141	5.3
147.11687	32.2
149.01254	26.6
149.09602	14.9
151.11179	15.4
153.07043	4.1
155.08545	13.9
157.10143	15.1
163.97722	10.4
165.12749	11.9
167.02309	20.7
169.10161	22.5
172.02911	6.0
174.73492	4.0
175.08821	4.2
175.11252	17.2
181.10091	6.2
181.98798	8.2
182.10767	4.1
183.11760	6.9
193.12193	18.9
205.98845	11.8
211.05827	6.8
211.11208	5.0
211.13200	10.9
211.14938	17.3
212.09186	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	211.1328
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
50.54433	0.8
51.02372	0.8
53.03940	4.9
55.01869	8.6
55.05510	47.4
55.05783	2.2
56.84849	1.0
56.96563	10.0
57.03433	9.7
57.07064	2.7
59.04992	1.9
60.30354	0.8
61.02904	0.8
65.03930	2.1
67.05499	39.4
69.03426	13.9
69.07066	18.7
69.71191	2.7
69.71598	2.9
70.06575	1.3
71.01351	1.3
71.04985	8.6
71.08627	1.9
72.08163	1.5
73.02913	0.8
73.06572	1.4
74.00687	1.0
77.91265	0.9
79.05489	38.5
81.03414	100.0
81.07051	51.6
83.04979	55.7
83.05365	0.7
83.08616	35.5
85.02904	1.5
85.06548	5.2
85.94617	1.5
87.04451	1.5
91.04893	1.3
91.05478	38.3
93.07043	23.1
95.04963	41.9
95.08601	25.4
97.02898	5.2
97.06524	7.2
97.10159	8.4
98.06091	1.2
98.97569	4.4
99.04426	2.0
99.08098	2.5
102.96913	0.8
103.05454	0.8
105.07026	29.8
105.73854	1.0
107.04935	8.8
107.08597	15.7
109.06512	8.4
109.10153	15.8
111.04436	3.0
111.08072	13.9
113.05970	1.0
115.05447	1.8
116.98608	5.0
117.06998	2.3
119.04907	1.7
119.08571	25.3
119.66195	1.1
121.06518	3.8
121.10139	13.4
123.04427	1.4
123.08042	5.4
123.11707	3.7
125.05927	1.1
125.09605	4.5
127.07517	1.2
128.06213	1.2
129.06998	12.7
131.08568	14.6
133.06462	4.5
133.10117	15.8
134.99652	4.7
135.11682	7.4
137.09636	4.2
142.07768	3.8
145.10173	1.9
145.96655	2.2
146.97472	1.6
146.99677	1.5
147.08052	3.5
147.11674	17.5
149.09630	6.7
149.13235	1.4
151.11194	3.3
151.14828	1.3
152.07040	2.4
155.08539	2.5
157.10114	17.8
158.01295	1.2
158.99597	1.7
161.01239	1.1
163.97725	10.6
165.07028	2.1
165.09027	1.6
165.12791	3.9
167.10643	0.9
168.08104	1.7
169.10062	1.5
169.98921	1.0
170.99683	1.1
175.11180	17.9
175.14809	3.7
177.00687	4.2
181.98782	7.4
183.06564	1.1
183.08093	2.2
187.64902	0.9
189.00668	1.0
191.08342	5.1
191.09966	1.0
193.12234	38.3
193.15916	2.3
194.08127	1.0
196.08629	1.1
200.08821	7.0
205.98770	13.7
211.07507	4.8
211.11118	3.0
211.13286	14.3
211.14951	2.6
211.16893	1.9
211.59666	1.7
217.07533	1.2
229.07533	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03939	6.0
53.85209	1.7
55.01874	10.0
55.05508	46.1
56.29487	1.9
56.96566	14.9
57.03432	9.9
57.07066	3.6
59.04987	1.8
67.05503	42.6
69.03439	9.0
69.07063	16.3
70.13131	6.6
71.04984	9.2
71.53735	1.6
72.08155	2.4
79.05064	2.8
79.05496	38.9
81.03416	100.0
81.07056	51.5
83.04977	44.9
83.08619	36.7
84.08150	2.5
85.06545	5.6
91.05478	42.9
93.07039	26.9
95.04960	34.6
95.08601	28.8
97.02827	4.2
97.06534	12.8
97.10152	11.2
105.04480	2.2
105.07037	26.3
107.04959	7.7
107.08038	1.3
107.08616	13.3
109.06502	9.1
109.10150	10.4
111.04429	3.7
111.08088	10.9
113.06020	3.3
119.08590	21.2
121.06463	3.3
121.10150	9.7
123.08075	4.9
123.19714	1.6
125.09638	2.8
129.07002	14.7
131.08578	13.8
133.06487	4.2
133.10141	14.6
137.09647	2.6
137.13268	2.4
141.07071	2.1
142.07776	5.0
145.10104	2.3
147.08034	3.9
147.11676	15.0
149.01213	3.3
149.09624	6.8
151.11220	2.3
155.08510	3.5
157.10146	13.0
159.02974	1.7
163.97765	4.8
165.07103	1.6
165.12750	4.6
167.02223	2.7
167.10529	1.7
169.10141	3.2
174.07994	2.4
175.11150	15.4
175.14859	2.8
181.98735	2.5
183.08365	2.5
183.11745	2.7
193.12238	25.3
193.15913	2.5
205.98784	4.6
211.07462	3.0
211.11391	2.5
211.13048	10.7
211.14870	5.1
232.33685	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
52.72288	1.2
53.03937	4.3
55.01869	5.0
55.05508	43.4
56.96569	1.2
57.03431	7.4
59.04993	1.2
60.59138	0.9
65.03926	1.3
67.05502	30.4
67.05868	1.6
69.03426	10.5
69.07066	8.7
70.30396	4.0
71.04998	4.8
79.05489	30.1
80.73915	1.0
81.03414	100.0
81.07053	33.3
83.04978	43.4
83.08614	29.8
85.02882	1.2
85.06512	3.1
91.04890	1.7
91.05476	32.0
93.07040	14.6
95.04361	1.7
95.04963	32.9
95.08602	11.8
97.02889	2.9
97.06516	5.2
97.10162	8.5
99.08098	1.6
105.07021	22.7
107.04957	5.6
107.08593	5.5
109.06504	4.8
109.10124	3.0
111.04418	2.7
111.08068	10.9
115.05434	1.7
117.07041	1.6
119.08578	17.5
121.06512	2.6
121.10145	7.4
123.08047	3.0
125.09663	1.6
127.55998	1.0
129.07016	12.5
131.04155	1.0
131.08569	12.8
133.06474	3.6
133.10107	11.2
137.09598	2.3
142.07773	3.6
145.10155	1.4
147.08051	4.6
147.11679	15.3
149.09566	5.5
157.10114	15.9
163.97797	2.1
165.12718	1.7
169.10170	1.2
171.01862	1.1
175.11176	15.6
181.10141	1.8
193.12234	32.6
205.98793	1.7
209.50204	1.1
211.13226	11.7
211.14760	1.3
229.07564	1.5
234.10258	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03946	5.9
53.17239	1.1
55.01868	7.8
55.05511	43.4
56.96562	2.0
57.03436	9.4
57.07069	2.2
59.04993	1.8
62.20065	1.2
65.03928	1.7
67.05503	36.5
69.03429	11.0
69.07072	12.4
69.50737	6.3
69.51162	4.2
71.04991	6.2
79.05061	2.4
79.05494	32.4
81.03419	100.0
81.07053	39.8
83.04980	54.2
83.08138	2.4
83.08616	33.3
85.02893	1.9
85.06551	4.1
90.96964	1.3
91.05483	37.0
93.07029	17.1
95.04967	37.0
95.08606	13.6
97.02885	3.7
97.06528	10.1
97.10188	7.2
98.06065	1.4
105.07022	25.7
107.04970	8.7
107.08595	7.0
109.06516	8.1
109.10129	3.4
111.04428	2.7
111.08084	11.5
113.06046	1.5
115.05430	1.3
117.07015	2.0
119.08578	20.3
121.06501	1.9
121.10144	8.6
123.08072	4.1
125.09641	1.9
129.06989	11.0
131.08577	13.0
133.06502	2.8
133.10114	10.7
133.27014	1.2
135.11638	1.6
137.09586	3.5
140.47076	1.2
142.07770	4.2
147.08055	3.9
147.11694	11.6
149.09576	6.7
151.11081	1.5
155.08615	1.3
155.10449	1.5
157.10118	14.4
165.12807	2.4
169.10194	1.4
175.11157	14.8
193.12244	27.6
211.05843	2.1
211.07661	1.9
211.13255	11.5
211.14865	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
51.02366	1.0
51.04551	1.0
51.63429	1.0
53.03951	4.1
55.01870	6.5
55.05507	43.0
56.96572	3.4
57.03434	8.7
57.07077	1.4
59.04997	2.0
65.03918	1.2
67.05499	31.8
69.03430	12.0
69.07065	9.4
71.05000	6.1
79.05490	36.5
81.03412	100.0
81.07051	36.5
81.07517	2.3
83.04977	54.4
83.08614	33.3
85.02862	1.6
85.06554	3.1
87.04443	1.6
91.05475	34.2
93.07036	18.8
95.04964	32.2
95.08597	14.4
97.02876	2.4
97.06532	5.5
97.10167	7.1
98.20679	2.4
103.05477	1.0
105.07014	22.0
107.04947	9.9
107.08587	10.0
109.06490	6.5
109.10162	3.2
111.04411	1.4
111.08070	11.4
113.06071	1.4
113.61390	1.1
115.05424	1.8
117.07037	2.2
119.08575	19.2
121.06496	2.8
121.10166	7.8
123.08068	3.9
125.09660	2.4
129.07005	11.2
131.08557	14.7
133.06509	4.3
133.10136	10.9
137.09644	2.1
142.07771	3.0
145.10092	1.4
145.96773	1.2
147.08034	3.6
147.11685	14.8
149.09607	7.7
157.10132	15.2
163.97739	3.4
165.12741	1.7
175.11179	15.5
181.98787	1.3
193.12233	38.3
205.98753	3.7
211.13216	13.1
229.07385	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
51.02680	1.3
55.01852	5.0
55.05511	23.3
56.96565	10.0
57.03413	3.4
57.07071	6.4
59.04986	3.6
65.03924	2.1
67.05173	2.2
67.05501	31.7
68.99797	6.7
69.03404	5.3
69.07061	19.2
70.22192	2.1
70.22546	5.5
71.04971	4.2
72.93780	1.9
73.06539	2.4
75.04476	12.3
76.29846	1.2
78.73806	1.2
79.05489	18.7
81.03411	39.3
81.07055	50.6
83.04973	23.1
83.08611	14.4
84.90739	1.2
85.02863	2.0
85.06541	15.0
85.94582	2.1
91.05472	24.5
93.07047	13.5
95.04961	100.0
95.08602	39.5
97.02852	2.5
97.06512	4.5
97.10138	4.0
98.06058	1.4
99.04453	6.1
105.07023	17.3
107.04942	4.7
107.08568	10.5
109.06518	8.9
109.09441	2.1
109.10147	23.7
111.04415	2.3
111.08065	6.0
113.05988	1.7
115.07587	1.7
119.08587	13.4
121.06518	6.4
121.10127	5.2
123.04444	3.6
123.08051	2.1
123.11699	99.9
125.09613	1.8
129.06975	4.3
131.08543	5.1
133.06497	1.6
133.10114	16.1
135.11684	2.9
137.06013	1.4
137.09604	36.9
139.07535	16.2
141.06894	1.6
143.08542	1.6
145.96617	5.6
146.97469	2.3
147.08089	1.4
147.11671	5.7
149.09567	3.9
151.07523	1.8
151.11163	17.7
155.08536	1.9
157.10114	6.1
161.09592	7.1
163.97707	19.8
165.12784	2.0
169.10109	5.5
169.12233	3.1
169.99016	1.7
175.11147	6.1
179.10660	54.5
181.10153	2.3
181.98799	9.8
182.98959	1.5
183.08049	2.0
183.11673	2.3
183.13797	1.9
187.97726	1.9
193.12236	15.5
196.12547	1.3
205.98776	22.5
206.98927	1.6
211.05832	1.6
211.07611	2.5
211.11180	2.3
211.12946	7.5
211.15016	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	211.0753
Annotation	1,2-Anthracenediol
Peak:m/z	Relative Intensity
53.03943	2.8
53.16170	0.9
55.01867	5.7
55.05508	1.7
56.05036	1.6
56.96552	4.1
57.03440	1.5
57.07060	1.7
59.06118	1.6
67.05490	3.6
68.05055	1.2
69.03410	1.7
69.07043	1.2
70.02950	1.1
70.06577	3.8
71.04974	1.6
71.06141	1.1
71.58147	1.4
72.08142	3.1
72.93765	1.6
73.02898	1.2
77.03922	1.8
79.05476	2.6
81.03401	4.1
81.07046	3.7
82.06550	1.2
83.04984	1.2
84.08134	2.5
85.04009	1.1
90.05512	1.5
90.94787	1.5
91.05470	4.8
93.07020	1.9
94.06588	1.2
95.04954	7.5
95.08605	2.8
96.04490	1.1
96.08167	1.0
97.02878	1.2
103.95617	1.3
105.03393	8.4
105.07043	2.1
107.04917	3.2
107.08614	1.1
108.08087	1.1
109.06506	1.7
109.07648	1.7
109.10150	1.5
110.06001	2.5
111.04430	1.3
115.05434	8.8
116.98575	1.6
119.04983	1.0
119.08536	1.9
120.08125	1.2
122.06030	1.5
123.04462	2.1
128.06233	4.3
129.07016	6.4
133.06400	1.1
134.99648	2.4
137.06001	1.1
140.06131	1.4
141.06998	6.0
145.06468	3.1
145.96664	1.1
146.99667	1.6
150.09158	1.4
152.06174	3.5
153.00681	1.1
153.06993	20.1
154.07785	8.3
155.05908	1.1
155.08559	25.2
157.06458	1.6
163.97672	5.2
164.02269	1.2
165.06995	33.8
168.05704	13.6
169.06454	2.8
177.00714	1.2
181.06485	10.2
181.98764	5.4
182.07246	3.4
183.04512	1.3
183.08046	36.0
193.06400	5.6
196.05167	2.8
205.98773	8.2
210.06755	1.5
211.05879	4.4
211.07542	100.0
211.10890	2.8
211.14748	1.7
212.07439	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.9406
Annotation	Unknow
Peak:m/z	Relative Intensity
62.60801	17.5
70.37896	82.1
94.92979	38.5
120.94531	52.6
128.38390	21.1
150.91969	27.3
164.93478	32.3
164.98312	19.4
192.96016	30.3
193.94467	35.9
210.94112	100.0
210.97076	85.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.9768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53043	7.1
56.96554	8.1
57.03431	11.6
71.58822	10.2
73.02909	15.7
83.48793	8.4
86.06035	9.5
87.04468	25.5
88.04808	10.6
94.93005	45.7
98.97614	9.8
104.07095	32.5
105.07475	9.4
107.04964	80.0
108.05283	85.5
134.92429	15.0
147.06358	34.0
147.19611	8.7
152.93541	21.7
165.07388	35.7
181.56815	7.2
210.97673	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0752
Annotation	9,10-Dihydroxyanthracene
Peak:m/z	Relative Intensity
51.02383	0.7
53.03929	1.6
55.01871	6.7
55.05507	6.6
57.03415	1.2
67.05504	4.7
69.03409	1.8
69.07044	1.6
70.85851	1.5
71.04993	0.6
77.03909	1.4
79.05490	6.0
81.03411	14.5
81.07041	5.9
83.04976	8.0
83.08612	4.8
83.09061	0.8
91.05460	4.7
91.13836	0.4
93.07034	3.3
94.90577	0.5
95.04964	7.0
95.08585	2.0
97.02885	0.8
97.06487	0.9
97.10150	1.5
103.05463	0.9
105.03385	6.4
105.07014	3.2
107.04944	1.2
107.08573	1.4
109.06513	1.2
109.10139	0.6
111.04376	0.6
111.08058	1.2
115.05453	5.7
119.08581	2.8
121.10108	1.8
123.08041	0.6
128.06224	3.3
129.06999	7.4
131.08580	1.4
133.10100	1.6
140.06236	1.1
141.06963	3.8
145.06459	1.8
147.11670	2.6
149.09596	1.3
151.11255	0.6
152.06200	2.7
153.06990	15.7
154.07784	6.2
155.06017	1.0
155.08534	17.0
157.10101	2.0
163.97652	0.7
165.06987	25.8
166.07698	1.2
166.88460	0.6
168.05707	10.1
169.06462	1.3
175.11176	2.3
181.06447	6.8
182.07224	2.0
183.04474	0.9
183.08041	30.9
184.08438	0.9
193.06429	4.8
193.12233	5.3
194.07277	1.6
196.05219	2.6
205.98790	1.5
210.06686	1.6
211.07523	100.0
211.13226	1.8
212.07832	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1599
Annotation	Dimethirimol
Peak:m/z	Relative Intensity
50.90654	0.3
55.05502	3.0
56.96560	3.3
57.03424	0.7
68.05016	4.2
69.27883	0.3
70.06583	0.8
71.04986	0.4
71.29939	0.8
72.08145	1.0
79.05480	3.7
80.04993	0.6
81.04526	0.4
81.07050	13.6
82.06540	0.4
83.06097	11.1
83.06598	0.6
83.08559	0.3
84.08121	1.2
85.02876	0.4
86.05566	0.6
86.06060	7.1
86.09686	0.5
87.27323	0.3
94.06563	0.8
95.06081	100.0
95.65688	0.3
96.06398	0.9
98.09700	0.3
98.97556	0.4
99.08059	0.5
104.07112	1.6
107.04949	16.6
107.05998	1.6
108.05283	0.6
112.08720	13.4
116.98607	0.6
119.01910	0.9
121.07614	1.2
123.05515	0.4
129.10141	0.3
131.01897	0.4
134.05956	0.5
134.99684	0.5
136.06174	0.6
136.11143	0.3
137.05963	0.4
145.96208	0.3
146.06023	1.7
146.09596	0.4
147.09169	0.4
148.04207	0.3
149.10721	0.8
150.05437	0.5
150.75121	0.3
151.05843	1.4
151.11192	0.3
151.12297	3.7
152.07071	1.4
152.08360	0.3
152.98898	0.4
159.03227	0.4
163.12289	40.9
163.97612	0.3
164.07030	1.8
164.08218	0.5
164.12604	0.9
166.13396	0.9
172.84082	0.3
172.99292	0.4
175.12329	0.9
181.13332	7.6
186.96870	0.4
187.00238	2.9
187.02773	0.4
187.04407	0.4
192.06583	0.4
192.14955	1.2
193.13345	38.1
194.13724	0.7
204.97952	0.4
205.01320	3.6
205.98764	0.4
210.15997	50.6
211.10704	0.4
211.16350	1.3
223.56030	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1488
Annotation	3-Tigloyloxynortropane
Peak:m/z	Relative Intensity
51.02368	0.4
53.03942	0.8
54.50759	0.3
55.01870	1.0
55.05513	0.6
55.93519	0.8
56.96569	2.3
57.03455	0.4
58.06614	1.3
59.06117	0.3
59.07362	0.3
60.04542	0.4
60.08159	9.6
65.03925	0.4
67.05511	0.5
67.44608	0.4
68.05014	0.4
69.03411	0.7
70.06583	0.9
70.61416	0.5
70.61769	0.8
70.95860	0.8
72.08144	0.6
72.93774	3.5
79.05486	1.5
79.65591	0.4
80.05029	0.4
81.03416	0.9
81.07050	1.5
82.06582	0.5
83.06100	1.1
84.08138	0.6
85.02913	0.4
86.06061	0.4
86.09676	0.4
87.04444	0.4
87.06898	0.3
88.96893	0.5
90.05537	1.0
90.94811	1.8
91.05469	1.0
93.07026	1.0
94.06570	0.7
94.44341	0.3
95.04452	0.3
95.04973	2.1
95.06079	5.2
95.08551	0.4
96.04484	0.3
96.08173	0.3
97.02877	0.6
98.97595	0.9
102.09184	0.8
103.05463	0.6
104.07116	0.3
104.10748	1.5
105.03385	0.4
107.04946	100.0
108.05263	0.8
108.95852	0.9
109.07626	0.5
110.06095	0.6
111.04453	0.5
112.08726	0.5
113.01537	1.7
113.96426	0.8
115.05494	0.4
116.98652	0.7
118.94288	0.4
119.08575	0.4
120.08051	0.5
121.06493	4.6
122.06010	0.5
123.04399	0.9
124.07562	0.4
127.10931	0.3
128.98615	0.3
131.97421	0.8
132.95810	0.3
133.67767	0.3
134.99657	0.6
136.07494	0.3
139.00517	0.4
141.01016	4.7
143.97519	0.3
145.96634	0.4
146.05992	1.1
146.97437	0.7
147.04370	0.5
148.07504	0.4
150.06699	0.3
150.09108	0.6
150.96832	0.4
153.06972	0.7
155.08521	1.0
158.06049	0.3
161.04720	0.5
163.12308	2.0
163.97682	2.4
164.02278	0.4
164.07025	1.3
164.10658	0.3
165.07027	1.1
167.06911	0.4
168.05751	0.5
176.98393	0.3
177.00832	0.3
181.06459	0.4
181.98755	1.3
183.08000	1.5
186.96725	0.7
187.02715	0.3
192.06516	0.6
192.10088	0.9
193.13333	1.4
204.99200	2.0
205.98749	3.0
209.98419	0.5
210.14848	76.3
210.96928	0.3
211.07515	4.5
211.15033	1.2
225.84988	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1125
Annotation	Tyr-OEt
Peak:m/z	Relative Intensity
53.03945	2.0
55.01869	5.6
55.05507	7.1
56.05035	5.1
56.96561	4.4
57.03412	3.2
58.06579	1.5
60.04504	2.3
61.02920	6.9
65.03913	1.4
67.05508	5.6
69.03407	3.3
69.07047	3.1
69.56555	6.5
70.06588	9.2
71.01353	1.0
71.04983	2.5
72.08128	3.4
73.02895	1.5
79.05497	14.8
80.05010	1.6
80.05804	2.6
81.03432	4.6
81.07075	4.6
82.06560	1.5
83.04987	4.8
83.08604	2.7
84.04485	2.7
84.08153	5.6
85.02906	1.9
86.06067	6.2
86.09697	1.7
91.04987	1.0
91.05489	13.9
92.05783	2.2
93.07046	8.5
94.06589	4.4
94.07349	2.6
95.04972	9.7
95.08572	3.6
96.04459	1.1
97.02864	1.9
97.06501	2.0
97.10146	2.6
98.06038	2.1
98.97567	3.9
100.98514	0.9
103.05475	11.7
105.07031	58.2
106.06537	0.9
106.07320	1.9
107.04952	71.9
107.07301	2.0
107.08566	2.7
108.04512	1.4
108.05243	1.5
108.08140	2.0
108.08914	4.0
109.06484	1.7
109.10148	1.3
110.06043	1.6
110.06977	0.8
111.04443	2.0
115.05415	2.6
116.98602	3.9
117.05785	1.5
117.07022	4.8
118.06531	2.6
119.04901	3.0
119.08570	5.5
120.08089	6.4
120.12209	0.9
121.05676	1.6
121.06505	27.2
122.05990	2.8
122.06818	1.2
122.09587	1.1
122.10428	2.4
123.04433	17.4
123.08041	1.3
126.05492	1.4
128.02298	1.5
128.06148	1.4
129.07008	10.0
129.08611	1.0
130.06483	1.8
131.04935	6.6
131.07257	4.0
131.08473	1.6
131.17064	0.9
132.05736	0.9
132.08076	5.3
132.08887	3.9
133.06488	68.5
133.10121	1.9
134.05951	1.4
134.06836	1.5
134.09663	2.3
134.99657	2.6
135.06779	2.1
135.08002	1.8
136.07550	3.1
137.05977	2.2
138.05489	0.9
144.08058	3.6
145.03484	1.3
145.06476	12.7
146.06007	9.3
146.09601	8.6
146.10500	1.2
146.99603	1.7
147.04369	3.4
147.06779	3.6
147.08017	10.3
148.07542	8.7
149.05974	19.6
149.08417	5.0
149.09444	1.3
150.09125	100.0
151.03856	1.3
151.07498	2.6
151.09555	2.5
154.06570	1.0
155.06023	1.7
156.69009	1.0
157.06471	7.2
158.99565	1.7
159.06752	3.6
160.07579	7.0
161.08308	1.9
162.09135	20.1
163.07501	2.7
164.07022	4.0
164.10561	5.6
165.05511	2.0
165.06891	1.5
166.08588	3.6
167.07129	1.9
170.99622	0.9
172.07544	1.3
174.09137	15.9
175.07538	5.6
177.00671	2.8
180.10106	1.1
182.08180	1.0
182.11774	3.2
183.08043	0.9
190.08582	3.5
192.10161	23.9
193.04939	1.6
193.08650	7.2
196.12196	1.1
198.06560	1.2
205.00375	1.2
205.98795	1.2
210.05460	9.4
210.07544	4.1
210.11226	41.6
210.15544	4.0
211.11459	1.2
216.82614	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1123
Annotation	Tyr-OEt
Peak:m/z	Relative Intensity
53.03942	0.6
55.05491	0.5
56.96553	0.8
68.05023	0.7
69.03428	2.7
70.06580	0.4
71.15160	0.7
79.05502	1.4
81.07029	0.8
83.06090	0.7
86.06057	7.4
87.04460	19.1
91.05467	0.9
93.07048	0.3
94.06538	0.3
95.04984	1.4
95.06078	5.5
103.05453	1.2
104.07096	26.1
107.04943	100.0
108.05280	1.2
110.06012	0.4
112.08746	0.6
117.05758	0.8
118.06545	1.2
119.07298	0.3
120.08070	0.6
121.06480	0.9
136.06105	0.4
141.01036	0.7
141.64944	0.3
146.05992	12.3
147.04424	0.5
157.78534	0.3
163.12274	2.3
163.97704	0.4
164.07048	11.2
174.22345	0.2
181.13339	0.5
187.02876	0.3
192.06609	1.1
193.13368	1.4
205.03888	0.3
205.98749	0.3
210.07617	1.0
210.11198	0.5
210.16090	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	210.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03897	0.6
55.01816	0.4
55.05448	1.5
56.04975	0.5
56.96507	9.4
56.96804	0.8
57.03387	0.6
57.07020	0.5
58.06560	0.6
60.08120	0.5
65.03901	0.3
67.05453	0.5
68.04976	1.7
69.03429	1.7
69.07016	0.5
70.06582	2.4
71.04967	0.4
71.58670	0.7
72.08117	0.7
72.93784	1.8
74.02410	0.7
79.05486	2.8
80.04986	0.5
81.03389	0.8
81.07052	4.2
83.06096	3.5
84.04474	0.5
84.08125	2.6
85.02898	0.5
86.06062	14.4
86.09670	0.6
87.04462	13.2
90.94782	0.8
91.05476	2.2
93.07026	0.8
94.06564	1.8
95.04954	2.0
95.06084	29.5
95.06823	1.1
96.04475	0.4
97.02885	0.8
98.97545	0.8
103.05458	2.0
104.07098	24.6
107.04946	100.0
108.04618	0.3
108.05251	1.7
108.08142	0.5
108.95849	0.4
109.07642	0.9
110.07230	0.4
112.08727	4.3
113.01559	1.4
113.96408	0.4
116.98618	0.7
117.05775	0.8
117.31329	0.3
118.06522	2.3
119.01933	0.5
120.04498	0.5
120.08125	1.4
121.04853	0.7
121.06496	1.2
121.07592	0.4
122.03088	0.4
122.06020	1.0
122.09716	0.3
123.04425	0.6
124.53143	0.3
129.10320	0.6
129.99881	0.3
130.08727	0.4
131.04926	0.5
134.99689	0.9
136.07613	0.7
136.08691	0.4
137.07970	0.7
138.02965	0.5
140.02582	0.3
141.01024	2.1
145.96748	0.5
146.05998	21.1
146.97487	0.7
146.99716	0.4
147.04486	1.0
147.06290	2.2
149.10817	0.7
150.05493	12.1
150.96892	0.4
151.05959	1.1
151.12392	1.1
152.07050	0.4
161.01320	1.2
163.04523	0.5
163.12297	12.2
163.97691	1.9
164.05681	0.8
164.07036	22.3
164.08188	3.3
165.05540	0.6
165.07544	0.3
168.02144	0.4
168.06624	0.5
172.95364	0.4
175.05957	0.7
179.02292	0.5
181.13315	1.8
181.98933	1.5
185.99318	0.4
186.99287	0.6
187.02832	0.4
192.06541	4.1
192.10367	0.9
193.05312	0.4
193.07098	0.8
193.10898	0.6
193.11627	0.6
193.13332	11.9
205.00354	2.7
205.98756	2.5
210.07887	7.0
210.11615	2.1
210.13023	0.4
210.16255	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	210.0761
Annotation	(S)-MCPG
Peak:m/z	Relative Intensity
51.82076	0.5
54.59448	0.6
56.05041	0.5
56.96548	0.6
70.06600	1.0
71.31197	1.2
72.08163	0.6
79.05499	1.6
84.08142	1.2
87.04488	0.8
91.05470	8.5
93.07038	1.3
103.05465	8.0
104.07124	1.0
107.04971	3.5
108.42744	0.5
116.05008	0.9
117.05766	3.6
118.04170	1.3
118.06540	11.4
119.04913	0.8
119.07346	2.6
119.08105	0.6
120.08110	5.4
126.09146	0.6
128.04918	1.0
136.06088	0.7
136.07567	1.0
146.06006	100.0
147.04428	3.4
147.06329	1.1
151.03920	1.2
164.07063	99.7
165.05424	0.6
165.07355	1.5
175.03867	0.9
192.06555	9.6
193.04855	0.6
208.78151	0.5
210.05490	1.8
210.07600	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	210.0759
Annotation	(S)-MCPG
Peak:m/z	Relative Intensity
51.02351	0.5
55.01839	0.3
55.05474	0.6
56.04972	0.3
56.96548	2.1
58.06573	0.8
61.23617	0.4
64.84088	0.4
65.03905	0.9
68.04974	1.3
70.06550	0.8
70.35683	0.8
72.93740	0.5
76.48082	0.3
79.05496	2.3
81.03364	0.4
81.07049	3.9
83.06106	3.3
84.08092	0.6
86.06058	13.5
87.04449	0.7
91.05470	5.7
93.07012	1.2
94.06549	0.5
95.04923	0.9
95.06081	26.6
95.29224	0.4
103.04883	0.6
103.05455	5.5
104.06519	0.5
104.07100	6.0
107.04945	41.2
108.05258	0.5
111.04443	0.3
112.05095	0.6
112.08707	3.7
113.01563	0.6
116.04932	0.6
116.98544	0.4
117.05753	3.0
118.04113	1.1
118.06536	7.9
119.04907	1.0
119.07301	1.9
120.08087	4.8
121.06499	0.4
123.04433	0.7
128.04877	0.7
131.04883	0.6
136.07588	0.8
137.05994	0.5
141.01016	0.8
146.05994	89.6
147.04419	3.6
147.06300	1.1
150.05495	3.2
151.03900	1.0
151.05832	1.2
151.12238	1.0
163.12299	11.8
164.07050	100.0
165.05452	0.7
165.07387	1.1
166.08688	0.4
168.02122	0.5
170.02939	0.4
171.54739	0.4
175.03842	0.6
175.12213	0.4
181.13376	1.6
187.02898	0.5
192.06541	9.6
192.10156	1.2
193.10782	0.8
193.13344	12.0
193.15099	0.6
210.07559	10.2
210.11362	1.1
210.13152	0.7
210.16060	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03928	2.2
55.01855	3.1
55.05509	4.7
56.96548	3.1
57.03431	1.3
57.07050	3.0
59.04974	1.2
60.55137	0.8
61.93313	0.7
65.03923	0.9
67.05508	8.3
69.03426	13.0
69.07079	6.9
71.04972	2.7
71.58395	1.1
79.05496	7.3
81.03421	12.4
81.07052	13.0
83.01404	0.7
83.04552	0.8
83.04987	6.9
83.08606	2.6
84.08128	2.5
85.06516	0.9
91.05470	5.0
93.07054	9.0
95.04962	11.0
95.08609	13.3
96.73252	0.7
97.06507	2.5
99.08069	2.2
103.05466	1.0
105.07032	8.2
107.04955	1.7
107.08598	15.4
109.06517	15.2
109.10161	3.7
110.07307	1.0
111.04427	1.1
111.08070	2.3
117.06997	1.1
119.08585	8.0
121.06494	3.1
121.09329	1.5
121.10140	18.3
122.07290	1.0
123.08065	13.9
123.11707	8.7
125.09641	1.4
131.08565	2.1
133.10098	1.6
135.08040	2.7
135.11687	1.9
137.09576	3.6
137.13268	3.9
138.09024	0.9
139.11119	1.2
145.10086	3.1
147.11682	4.6
149.06000	1.2
149.09621	13.0
149.13257	8.6
151.11163	7.5
153.07042	1.1
154.06500	1.0
163.11148	1.6
163.14722	1.3
165.12752	100.0
166.13145	1.6
167.14264	1.7
173.13284	1.3
177.05493	1.1
181.06433	1.8
191.14308	4.4
209.04416	1.9
209.07907	1.2
209.09662	2.3
209.11607	1.9
209.13538	1.8
209.15350	45.1
210.05469	2.8
210.15852	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03929	4.3
55.01873	12.8
55.05268	2.0
55.05509	30.8
56.96573	1.7
57.03423	6.6
57.07053	5.9
59.04975	4.8
59.84475	1.3
65.03921	5.2
67.05497	20.6
68.99789	3.0
69.03427	24.3
69.06720	1.7
69.07063	22.9
70.04050	4.1
70.06576	2.8
71.04996	9.1
71.60214	2.9
73.77682	1.6
75.04437	1.7
78.04693	2.9
79.05499	20.5
81.03432	7.9
81.06635	2.1
81.07054	23.7
83.04975	28.1
83.08601	12.3
85.02882	2.5
85.06531	9.8
89.03896	3.0
91.05472	27.2
93.03381	6.2
93.07040	36.5
93.46330	1.6
95.04957	19.3
95.08594	23.6
97.02867	3.7
97.06546	9.9
97.10168	17.4
99.04449	2.5
99.08086	22.8
103.05460	13.1
105.04538	1.6
105.07019	19.2
106.04163	12.7
107.04963	8.3
107.07853	3.2
107.08587	56.7
109.06512	17.6
109.10149	17.9
111.04449	7.2
111.08083	12.7
113.05987	9.3
113.09592	2.0
117.06973	4.4
119.01917	4.3
119.04938	3.8
119.08601	10.2
121.06504	28.7
121.10136	38.2
123.04397	3.2
123.08066	8.9
123.11703	9.7
125.06019	11.3
125.09620	86.8
127.07581	1.9
131.04919	4.2
131.08551	13.1
133.10120	14.7
134.03633	2.6
135.04401	3.4
135.08038	15.7
135.11658	10.3
137.03015	2.1
137.06003	3.0
137.09596	12.2
139.07524	10.1
139.11157	5.4
145.02812	3.3
145.10141	9.7
146.05946	4.6
147.08089	1.8
147.11658	6.5
148.05190	3.4
149.05983	31.0
149.09605	100.0
149.13235	18.8
150.10190	1.8
151.11172	46.6
153.05481	2.1
153.09096	24.8
154.09862	3.1
157.06354	2.7
158.10893	2.4
163.07530	3.2
163.11134	8.1
163.14806	17.6
164.07066	5.1
165.05489	2.3
165.12723	5.5
167.07048	3.1
167.10643	2.2
167.14308	3.1
173.09592	3.7
173.13234	15.8
177.05458	20.0
179.10632	1.5
181.08611	3.8
181.15866	2.9
191.07021	3.5
191.10658	5.8
191.12628	2.9
191.14301	40.5
192.06531	1.8
209.04430	2.9
209.06334	2.3
209.08090	8.2
209.09856	2.4
209.11739	8.0
209.13464	3.9
209.15366	77.2
210.04303	2.9
210.15854	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.69067	2.2
52.91451	2.2
53.03936	5.2
55.01875	4.4
55.05509	19.1
56.36507	2.8
56.96548	3.8
57.03421	9.9
57.07058	9.1
57.47682	2.3
59.04975	3.2
63.19686	2.2
65.03931	3.4
67.05506	23.5
69.03419	4.8
69.07066	31.8
69.59578	17.0
71.04994	65.0
73.58610	2.0
79.05497	21.0
81.03387	2.5
81.07053	36.1
83.04984	16.4
83.08599	9.4
84.08096	2.7
91.05474	26.8
91.48931	2.2
93.07043	42.0
95.04965	13.7
95.08604	57.9
97.06520	24.5
97.10189	3.7
99.04448	10.2
99.08086	5.0
103.05460	3.1
105.07027	35.2
107.08591	96.6
109.06514	23.9
109.10154	29.5
110.07206	2.2
111.04424	3.2
111.08076	37.8
113.09631	12.8
115.07529	5.1
117.06996	3.6
119.08581	24.6
121.06504	8.8
121.10144	83.8
123.08060	43.3
123.11706	12.1
125.09624	3.9
125.36238	2.2
129.06961	5.0
131.08568	25.4
133.10126	71.0
135.08051	77.5
135.11673	46.2
137.09581	9.0
138.10387	16.1
139.07504	2.7
139.11189	19.7
141.01030	5.4
143.08539	5.5
145.10123	18.3
147.11670	21.1
149.09616	92.6
149.13255	40.9
151.11171	36.8
153.09077	4.4
158.10902	10.9
161.09595	8.8
163.11151	6.9
163.13591	3.0
163.14824	30.2
163.42915	2.7
165.12779	5.5
173.13263	69.5
176.11937	7.7
191.14305	100.0
196.66658	2.4
209.09845	4.9
209.13380	3.3
209.15332	50.7
210.05418	5.1
216.16338	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03931	1.5
54.22751	0.9
55.01860	3.9
55.05506	31.1
55.93510	1.1
56.96553	2.6
57.03424	3.0
57.07071	6.1
59.04987	2.3
60.56779	0.9
65.03926	2.0
67.05497	17.6
68.99775	3.2
69.03423	27.2
69.03799	1.4
69.07065	16.6
71.04993	8.3
71.58867	1.9
72.93797	1.0
79.05482	15.4
81.03416	2.2
81.06584	1.6
81.07052	18.8
83.04977	25.8
83.08613	9.8
85.02895	1.4
85.06541	10.0
91.05483	10.3
93.07033	22.6
95.04957	11.1
95.08590	15.6
97.02880	2.0
97.06539	6.5
97.10163	22.1
98.97543	1.3
99.04450	3.1
99.08095	13.9
103.05431	1.4
105.07015	11.2
106.04185	1.0
107.04925	3.8
107.08586	43.2
109.06496	14.5
109.10147	14.3
109.87420	0.9
111.04426	2.7
111.08075	11.4
113.05994	10.3
116.98613	1.2
117.06996	1.1
119.08566	6.1
121.06499	7.0
121.10136	34.0
122.73537	1.2
123.08083	5.8
123.11697	6.2
125.06005	7.6
125.09620	100.0
125.13229	1.6
127.07546	3.0
129.06999	2.0
131.08563	12.3
133.10101	12.7
135.08034	13.2
135.11690	6.8
137.06038	1.1
137.09592	4.5
139.07518	7.6
139.11168	4.7
143.08566	1.7
145.10123	5.5
147.08131	1.2
147.11668	3.9
149.05971	1.7
149.09610	71.3
149.13228	15.5
151.09949	2.2
151.11172	40.2
153.05505	1.1
153.09082	22.7
154.09845	3.1
155.10750	1.3
158.10895	1.7
163.11168	3.8
163.14798	13.7
165.12711	2.0
167.10641	2.9
167.14281	4.9
173.13246	11.6
173.69450	1.0
174.39238	1.0
177.05516	1.7
191.10680	3.0
191.12634	1.9
191.14288	27.7
209.11778	4.5
209.15347	62.5
210.02147	1.2
210.15211	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03935	2.5
54.58987	0.6
55.01867	3.0
55.05503	7.7
56.96551	1.1
57.03432	4.7
57.07073	5.2
59.05008	3.8
65.03932	1.3
67.05501	10.2
69.03426	12.8
69.06720	0.8
69.07067	10.2
70.69718	0.9
70.70065	1.6
71.04986	3.6
74.22768	0.6
79.05491	11.7
81.03411	12.9
81.07047	19.4
83.04975	7.3
83.08614	4.4
84.08132	1.1
85.06527	2.5
91.05469	11.2
93.03370	0.8
93.07036	16.5
94.06561	1.0
95.04960	25.3
95.08598	16.9
97.02923	1.6
97.06525	31.5
97.10170	1.4
99.04435	3.1
99.08099	1.5
103.05447	2.0
105.07023	13.1
105.07700	0.4
106.04175	2.4
107.04955	3.6
107.08585	28.7
109.06508	100.0
109.10143	9.2
109.10816	1.1
111.04443	1.7
111.08061	5.7
113.05998	0.9
117.07004	2.6
119.08576	8.4
121.06497	6.7
121.10133	22.3
121.11011	1.2
123.08064	17.7
123.11691	8.7
125.05991	1.8
125.09602	3.9
131.08554	5.9
133.10126	13.0
134.03645	0.7
135.08037	10.9
135.11655	4.4
135.97011	0.7
136.07521	0.7
136.08755	0.7
137.05978	0.8
137.09608	3.7
137.13266	1.7
139.07506	1.1
139.11232	0.8
141.00978	1.6
143.08560	1.0
145.10138	3.7
146.06044	1.0
147.11636	5.4
148.49008	0.8
149.05945	4.2
149.09608	12.9
149.13242	9.1
151.11177	6.3
153.09097	25.8
153.10332	1.4
158.10963	0.9
162.96931	0.8
163.07480	0.8
163.11191	2.2
163.14824	5.6
165.12740	84.5
166.13069	0.9
173.13257	8.5
177.05490	2.3
181.08591	1.0
191.06931	1.0
191.10654	1.2
191.14275	17.9
209.04431	1.6
209.08078	1.2
209.11444	1.5
209.11916	1.6
209.15349	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.02380	6.7
51.72638	3.2
51.81319	2.8
53.03942	3.4
55.01873	17.8
55.05515	19.8
55.94535	2.4
56.96565	12.3
57.07077	14.5
59.04998	2.8
65.03931	4.3
67.05500	30.4
69.03436	17.3
69.07077	28.7
69.59988	21.6
70.06577	6.8
71.04993	13.4
75.02368	4.9
79.05495	33.1
81.03425	10.4
81.07051	45.6
83.04977	29.9
83.08620	10.2
84.08133	7.1
85.02908	4.6
85.06548	5.2
88.99709	4.2
91.05482	26.5
93.07041	36.5
95.04968	25.0
95.08607	52.3
97.02907	2.7
97.06525	24.0
98.20844	6.0
99.00028	10.5
99.08089	4.1
100.00343	15.7
100.99722	31.2
103.05451	4.7
105.07027	24.5
105.84023	3.0
107.04964	8.9
107.08598	64.5
109.06518	99.5
109.10167	24.6
111.04470	10.3
111.08083	9.6
113.09617	5.4
114.21222	2.6
117.07019	7.0
119.08582	12.0
121.06516	14.9
121.10140	41.2
122.07311	2.6
123.08060	16.9
123.11672	4.7
125.09599	16.3
126.01049	3.3
126.99491	14.3
127.01357	5.0
127.99818	17.7
128.00781	7.4
128.99184	39.2
129.01038	5.2
130.01392	9.3
131.00723	13.0
131.08578	18.3
132.26599	3.0
133.10123	24.6
135.08038	34.1
135.11678	17.2
139.00566	4.1
139.11185	8.0
140.00914	3.6
141.00301	11.1
145.10139	11.9
147.00278	5.5
147.08038	4.5
147.11679	10.5
149.09622	26.4
149.13252	33.6
151.11180	100.0
153.09090	13.1
153.12732	3.4
156.00291	3.0
158.10933	5.4
163.02895	2.9
163.11182	8.8
163.14857	14.5
165.07050	4.0
165.12761	13.6
167.10661	4.1
167.14368	5.0
173.13284	23.5
179.08598	5.3
181.01585	3.6
181.06487	5.1
181.10094	5.3
182.01866	20.6
183.01341	29.0
191.07091	3.0
191.10712	7.0
191.14304	63.3
194.10983	3.7
209.02957	5.5
209.06100	4.3
209.09738	16.0
209.11806	7.8
209.13437	4.5
209.15338	67.8
209.17334	3.3
210.02435	5.5
210.05569	7.1
210.07579	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.22511	1.9
53.03926	2.7
55.01871	11.6
55.05500	19.3
56.96539	8.8
57.03400	3.2
57.07074	14.9
59.04983	2.8
59.26414	2.0
67.05501	35.3
69.03402	4.4
69.06730	2.0
69.07066	31.6
70.93835	4.9
71.04990	17.9
71.08631	2.1
72.93764	2.6
79.05132	1.8
79.05486	20.4
81.03402	3.6
81.07054	41.8
81.56415	1.7
83.04976	10.8
83.08608	12.5
85.06059	3.4
85.06538	39.5
91.05471	19.2
93.06464	3.8
93.07034	47.1
94.07372	1.8
95.04955	18.6
95.08598	38.0
97.06518	18.8
99.04422	4.1
99.08092	10.6
103.05448	2.6
105.07015	36.3
107.04929	4.9
107.08587	55.1
109.05790	3.1
109.06510	59.4
109.09455	3.5
109.10145	51.9
111.04443	3.5
111.08060	10.1
113.05957	2.4
113.09604	6.1
114.02996	4.0
117.07009	4.2
117.95955	6.6
118.96716	3.2
119.08605	10.5
121.06454	7.9
121.10137	26.6
123.08046	14.8
123.11676	13.9
125.06002	2.9
125.09599	7.2
127.11105	2.0
130.07722	2.1
131.08549	23.2
133.10121	100.0
134.40346	2.1
135.08060	9.6
135.11655	3.7
135.97008	2.4
141.00995	7.6
143.08577	4.7
145.10080	6.5
147.07991	3.6
147.11664	9.8
149.05972	3.0
149.09612	9.2
149.13234	32.9
151.11177	87.0
153.05505	3.6
153.06921	1.9
153.09064	5.8
158.10864	5.8
163.07504	3.0
163.11140	5.7
163.14803	8.2
166.08284	10.5
167.10629	3.2
167.14243	6.1
173.11726	2.3
173.13237	37.5
175.08702	5.8
177.05418	5.2
177.08768	2.2
178.09801	4.5
179.08560	3.8
181.08623	3.0
181.12125	2.3
182.10983	1.8
191.10645	3.6
191.14293	30.4
194.09274	5.7
194.10788	3.7
209.04178	2.5
209.05913	5.0
209.07803	2.9
209.09790	3.7
209.11681	7.3
209.13257	7.0
209.15315	63.2
219.47060	1.8
227.09554	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	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03939	16.1
55.01870	16.2
55.05507	22.8
56.96547	3.5
57.03414	5.3
57.07049	3.6
59.04990	3.7
65.03925	5.2
67.05499	42.8
67.34326	1.6
69.03136	1.5
69.03424	18.2
69.06731	2.1
69.07060	17.6
70.85112	1.5
70.85467	4.4
71.04961	6.4
76.75436	1.4
78.37489	1.5
79.05486	50.6
79.80853	1.6
81.03411	42.8
81.06576	3.0
81.07050	54.4
83.04979	19.0
83.08608	10.2
84.08096	1.8
85.06518	5.3
89.03906	1.7
91.05475	37.3
93.03421	2.1
93.07034	58.6
95.04958	41.1
95.08601	48.8
97.02865	5.3
97.06513	10.0
99.04445	7.2
99.08064	4.1
103.05473	7.2
105.07021	18.1
106.04146	4.8
107.04947	27.3
107.08587	37.1
108.08882	1.6
109.06509	25.7
109.10134	5.9
111.04427	8.9
111.08034	4.0
115.05430	2.8
117.07005	17.1
119.08570	18.9
120.08057	1.5
121.06500	19.4
121.10133	37.3
121.11004	2.2
123.04384	2.5
123.08081	15.5
123.11676	9.2
125.05980	8.0
125.09642	3.8
128.06187	1.7
129.05467	2.8
129.07005	3.4
130.07761	4.6
131.04852	3.8
131.08569	11.2
133.10091	6.1
135.04341	2.1
135.08081	9.4
135.11678	34.4
137.05875	2.2
137.09573	5.9
137.13272	2.4
137.87582	1.7
139.07529	2.9
143.08531	2.2
145.06474	5.3
145.10107	33.3
147.11658	6.2
149.05978	9.7
149.09618	31.5
149.13286	8.8
151.11159	9.1
153.02316	1.5
153.05457	1.9
153.06943	1.7
153.09091	6.4
153.12648	2.7
155.08522	5.3
158.34193	1.5
163.07538	2.1
163.11163	29.3
163.14789	2.7
163.97652	2.5
165.12737	100.0
166.29039	1.5
167.07018	1.6
173.09567	7.2
173.13275	4.4
177.05450	6.6
181.12228	2.0
191.06952	2.5
191.10619	10.0
191.14252	6.6
209.04514	1.9
209.07954	4.0
209.09691	3.1
209.11584	11.4
209.15340	54.9
210.04259	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03921	1.5
55.01866	3.5
55.05511	7.4
57.03427	1.2
57.07059	2.1
59.04988	2.1
60.50925	0.6
63.25160	0.6
65.03938	1.6
67.05506	10.7
69.03078	0.8
69.03425	10.5
69.06725	1.0
69.07067	13.9
71.04987	7.8
79.05495	10.4
81.03397	2.2
81.07051	15.5
83.04985	12.8
83.08608	5.0
85.02900	0.9
86.49648	0.8
91.05474	11.1
93.03410	1.2
93.07043	18.2
94.06541	1.4
95.04961	10.2
95.08604	29.6
97.02879	1.4
97.06525	7.5
99.04411	0.9
99.08104	4.2
103.05471	2.5
105.07027	10.9
106.04160	5.3
107.04942	4.1
107.08591	38.5
109.06512	12.4
109.09454	1.0
109.10152	14.0
111.04426	1.6
111.08053	4.2
111.21203	0.8
113.04280	0.7
113.09628	1.1
115.07508	0.7
117.07010	2.5
119.08576	6.6
120.04474	0.8
121.06507	12.4
121.10135	32.9
123.08075	6.0
123.11715	5.7
125.05963	2.3
125.09617	8.3
129.06985	1.2
130.07777	0.7
130.96701	0.7
131.08536	6.9
133.06540	0.8
133.10132	14.6
134.03604	1.0
135.08058	14.2
135.11684	8.7
137.05978	1.7
137.09618	3.3
139.07545	2.2
139.11165	3.6
143.08528	2.0
145.10144	7.7
146.06006	1.7
147.11679	7.6
149.05992	6.1
149.09613	10.7
149.13249	17.6
151.11174	100.0
152.11536	1.3
153.05536	0.9
153.09114	3.8
158.10892	2.5
163.11182	7.7
163.14812	9.4
165.12758	6.0
167.10637	1.5
173.13261	11.8
174.05481	0.9
177.05479	2.6
191.07054	1.0
191.10686	2.5
191.14302	43.8
209.04544	0.8
209.08087	1.3
209.11737	3.3
209.15323	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.02373	2.7
53.03941	6.8
55.01868	9.7
55.05257	4.5
55.05509	58.4
56.96560	21.3
57.03441	4.0
57.07058	9.6
59.04982	7.7
65.03930	4.2
67.05502	27.4
69.03426	28.3
69.07060	27.8
70.01714	14.4
71.04993	14.1
72.93771	9.3
72.94140	2.7
79.05488	35.4
81.03407	8.4
81.07054	35.4
83.04974	35.2
83.08620	21.3
83.76691	2.8
84.08130	5.1
85.02906	8.3
85.06525	7.6
91.05479	37.9
93.03395	5.4
93.07032	48.4
95.04967	28.5
95.08609	31.7
97.02884	7.5
97.06529	12.0
97.10167	30.0
98.97580	34.8
99.04437	7.0
99.08098	13.8
103.05466	9.0
104.01260	3.3
105.07015	24.8
106.04168	11.7
107.04942	16.0
107.08587	75.3
109.06519	28.9
109.10143	20.4
111.04417	7.4
111.08046	10.4
113.05989	5.3
116.98634	23.8
117.07008	5.2
119.01809	3.8
119.04913	2.9
119.08571	15.1
120.08105	2.9
121.06499	29.8
121.10153	49.4
123.04414	3.0
123.08046	9.1
123.11669	11.0
124.42663	2.7
125.05974	11.1
125.09628	83.1
128.02359	13.9
129.07008	3.4
131.04929	4.4
131.08566	32.2
133.06491	4.1
133.10098	19.5
134.63271	2.8
134.99663	8.3
135.08061	20.4
135.11699	8.7
136.08813	3.2
137.02820	10.8
137.05957	4.1
137.09604	6.3
137.53056	3.3
139.07533	10.8
139.11145	8.1
141.01060	3.9
145.02814	5.8
145.10112	18.4
146.05978	4.6
147.07959	3.8
147.11722	7.0
149.05980	25.2
149.09616	100.0
149.13234	24.5
151.11159	50.7
153.05472	3.4
153.09093	24.6
158.99640	15.4
163.11186	12.8
163.14836	16.5
165.12817	8.1
165.97029	3.6
167.07053	7.3
167.10674	4.1
167.14299	3.5
168.03635	3.7
173.13240	18.2
177.00685	28.1
177.05519	5.1
183.98357	3.5
184.06711	6.5
189.05959	13.2
191.10658	11.8
191.14311	38.5
194.97420	15.4
198.06509	10.3
208.98994	4.3
209.04298	3.4
209.08044	6.5
209.11874	13.8
209.13434	5.4
209.15359	84.8
210.15030	2.9
211.97696	10.7
212.98457	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	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.25237	0.4
53.03934	1.6
55.01870	5.2
55.05505	26.3
57.03431	1.1
57.07076	2.6
59.04992	0.9
65.03937	0.6
67.05499	14.5
69.03426	1.1
69.07069	3.6
69.77726	0.7
69.78131	2.2
71.04974	1.0
79.05489	12.7
79.05960	0.7
81.03408	0.5
81.07048	18.8
83.04974	100.0
83.08612	2.7
84.05304	0.8
85.06535	1.7
91.05476	5.9
93.07037	20.5
95.04967	2.0
95.08598	17.0
97.06526	1.5
97.10172	1.2
98.21404	0.8
99.08080	1.2
103.05427	0.4
104.25641	0.4
105.07022	2.5
107.04951	0.9
107.08587	15.8
109.06514	2.0
109.10159	4.9
111.08070	6.3
117.07034	1.0
117.95971	0.6
119.08552	1.1
121.06519	1.4
121.10130	7.3
123.08094	0.8
123.11653	1.1
125.09634	1.6
131.08574	3.7
133.10133	1.0
135.08070	3.2
135.11681	1.5
137.09612	0.9
145.10143	1.6
147.11690	1.5
149.09644	2.1
149.13243	9.1
153.09106	1.0
163.14810	6.7
163.97716	0.5
173.13281	2.3
179.08545	0.6
181.15930	1.3
191.14256	4.9
195.09523	1.0
209.09732	0.7
209.11607	0.6
209.13420	0.7
209.15311	6.7
223.55309	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1324
Annotation	trans-1,2-Diphenylcyclobutane
Peak:m/z	Relative Intensity
53.03929	0.9
55.01865	0.7
55.05495	0.8
57.07051	1.2
60.61065	0.6
67.05494	1.8
69.07073	0.6
75.05701	0.6
79.05482	6.1
81.07032	2.1
81.12595	0.6
81.25990	0.5
83.05008	0.7
83.08603	0.6
91.05474	16.0
93.07053	2.7
95.04960	2.1
95.08634	1.4
97.06544	0.6
103.05465	6.1
105.07022	100.0
106.07364	1.1
107.04977	0.6
107.08591	2.0
109.06499	1.6
109.85391	0.6
115.05442	3.0
116.06238	2.2
117.07014	7.9
117.95935	1.0
121.06522	1.0
121.10143	0.6
123.04539	0.6
127.42534	0.5
128.06174	0.5
129.06981	2.5
131.08565	11.9
131.09508	1.0
135.11653	0.7
136.95883	0.6
141.01013	0.6
141.07010	0.8
145.10138	1.1
149.57289	0.5
152.06195	1.2
153.06949	0.8
155.08533	0.9
163.11211	1.7
165.06995	9.3
166.07724	3.8
167.08545	7.1
178.07785	2.4
179.08534	15.4
180.09349	4.0
181.10118	8.0
192.09396	1.3
193.10126	5.8
194.10909	18.5
194.12709	1.0
195.11406	0.5
207.11606	0.9
209.13268	46.5
209.15318	5.7
210.13554	1.1
229.98965	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1172
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.00310	2.0
53.03939	5.2
55.01875	9.4
55.05509	15.6
56.31844	1.2
56.96550	4.4
57.03417	5.6
57.07070	3.4
65.03939	1.8
67.05502	16.1
69.03412	6.1
69.07066	24.8
70.06586	6.8
71.04990	23.0
71.19643	1.6
71.19969	2.1
72.08153	3.0
72.31237	1.2
73.02895	1.2
79.05492	65.1
79.89565	1.1
80.05784	1.2
81.03401	5.0
81.07058	21.6
83.04980	17.2
83.08590	1.7
83.78231	1.1
84.04515	1.6
84.08149	8.2
85.01129	1.5
85.06528	2.2
86.06081	1.3
86.09685	3.9
87.04463	1.8
90.81589	1.2
91.05479	35.2
93.07043	56.1
94.06558	3.4
95.04967	18.8
95.08607	7.6
97.02839	2.7
97.06522	12.6
99.04430	3.2
99.08096	1.9
103.05462	3.3
105.04571	2.1
105.07025	32.1
106.07314	1.9
107.04957	27.3
107.08593	61.6
108.05287	1.3
109.06522	14.9
109.10138	2.6
110.07160	2.0
111.04442	5.2
111.08051	2.4
115.05400	2.5
116.06203	4.1
116.98622	1.5
117.07012	11.1
118.06572	1.4
119.08583	13.6
119.16538	1.2
120.08075	2.5
121.06505	39.3
121.10143	31.2
122.06022	2.3
123.04456	2.3
123.08044	5.9
125.05985	9.8
125.09635	4.2
129.06973	4.9
130.07759	4.4
131.04907	2.3
131.08562	100.0
132.08873	2.5
133.06477	1.4
133.10072	2.4
134.99677	2.2
135.04442	3.3
135.08061	8.8
135.11726	7.8
137.05969	2.9
137.09578	1.7
139.07497	5.0
141.05447	5.9
143.08534	2.3
145.06473	2.2
145.09058	2.8
145.10127	42.4
147.08034	6.7
147.11644	4.1
149.05992	7.4
149.09616	94.0
149.13237	3.3
150.06560	1.8
150.10078	1.8
151.07532	2.5
151.11212	3.2
153.05489	12.4
153.09082	2.4
155.08472	1.6
163.07520	1.8
163.11180	38.2
163.14857	2.6
164.07057	2.2
165.09114	4.1
165.12810	3.1
166.07709	2.1
167.07037	6.3
167.10683	4.4
167.14310	2.5
173.09596	7.0
173.13303	1.4
175.11891	1.4
191.10674	33.9
191.14308	5.6
192.06664	1.9
194.07249	1.7
197.37386	1.3
209.04382	2.4
209.09720	4.9
209.11717	49.2
209.15317	29.0
210.05434	3.1
210.11177	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1171
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03950	3.1
55.01876	9.4
55.05517	9.8
56.28446	1.2
56.96558	2.7
57.03431	13.8
57.07073	2.8
65.03954	2.1
67.05506	11.9
69.03430	4.2
69.07063	7.5
70.06587	3.0
71.04990	8.2
71.10183	1.2
71.10515	1.9
72.08149	1.0
79.05494	27.3
81.03423	6.1
81.07054	13.6
83.04970	11.9
83.08627	3.3
84.08149	4.0
85.02906	3.0
85.06536	3.9
91.05477	22.1
93.07040	32.3
94.06538	1.0
95.04955	14.1
95.08599	9.0
97.02872	1.4
97.06544	5.7
97.10187	1.1
98.97534	1.0
99.04453	2.9
99.08134	1.1
103.05479	2.4
105.07031	19.7
107.04965	9.1
107.08591	34.2
108.08067	0.9
109.02881	7.1
109.06496	12.2
109.10163	3.7
109.66727	1.0
111.04430	6.5
111.08081	1.7
115.05460	3.3
116.98657	1.5
117.07007	14.7
117.08371	1.1
119.08580	10.9
121.06507	13.0
121.10142	15.7
122.06140	0.9
123.08078	4.9
123.11682	2.4
125.05995	9.7
125.09627	2.6
129.07031	2.6
130.07802	2.3
131.04956	1.2
131.08563	25.8
133.06490	2.6
133.10132	2.5
134.99707	1.6
135.08052	27.3
135.11681	6.3
137.05952	1.6
137.09561	1.7
139.07489	1.9
143.08620	1.2
145.06519	3.0
145.10127	22.5
145.11276	1.1
147.08026	2.0
147.11700	4.1
149.05989	4.7
149.09618	100.0
149.13242	3.1
150.10017	1.6
151.07452	1.2
151.11191	3.7
153.05467	4.8
153.06837	1.1
153.09146	3.0
154.06453	1.2
155.99838	1.0
163.07558	3.6
163.11176	22.3
165.12781	5.9
166.09448	1.6
167.07008	1.2
167.10649	6.2
167.14365	1.9
173.09624	4.3
173.13321	1.9
177.05591	1.8
181.06520	1.4
185.02956	1.8
191.07031	2.2
191.10666	13.4
191.14355	4.2
201.05482	3.1
209.04465	2.4
209.06351	1.5
209.08138	2.7
209.09840	2.7
209.11697	18.9
209.13345	2.0
209.15340	19.7
209.76422	1.1
210.05663	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	209.1172
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
50.84627	0.5
53.03943	1.1
53.10490	0.5
55.01868	5.6
55.05289	0.4
55.05510	4.4
55.05738	0.8
56.96554	1.0
57.03435	16.9
57.07061	1.0
59.04986	0.5
60.05660	0.5
65.03938	1.4
67.05499	5.1
69.03415	2.5
69.06792	0.4
69.07066	5.0
70.06589	1.7
70.28642	1.2
70.29034	1.2
71.04984	9.7
74.02439	9.1
74.59979	0.5
79.05490	17.9
81.03413	1.2
81.07054	7.4
83.04978	5.4
83.08640	1.1
84.08136	1.9
85.02893	0.9
85.06537	3.1
86.09708	0.6
88.03986	0.8
91.05479	19.5
92.04956	0.6
93.07043	21.1
94.06561	29.3
95.04965	8.4
95.08602	3.2
97.06544	2.5
99.00808	3.2
99.04450	1.0
103.05443	1.3
104.04979	2.4
105.07025	12.7
106.15160	0.5
107.04951	8.8
107.08592	27.0
109.06501	6.0
109.10174	1.5
111.04433	1.7
111.08074	1.5
115.05423	1.3
116.06215	1.3
117.07014	8.3
118.06547	12.0
119.08577	6.7
119.76729	0.6
120.04464	11.4
121.06492	6.8
121.10144	13.5
123.08048	2.2
125.05972	2.0
125.09631	2.0
127.07538	1.4
128.04932	0.7
129.06958	1.2
130.07780	1.0
131.08562	20.4
132.04451	4.5
133.06497	1.3
133.10135	1.1
133.18839	0.6
135.04398	1.3
135.08051	27.3
135.11687	3.2
136.07553	9.2
137.05968	1.4
137.09674	1.1
139.07576	0.8
139.11139	1.3
145.10114	17.3
146.06004	23.1
147.08043	2.2
147.11679	2.3
149.05983	1.4
149.09615	100.0
149.13268	1.6
150.05511	6.0
150.09941	2.3
151.11194	1.6
153.05515	2.5
153.09074	1.1
156.27811	0.5
163.07443	0.7
163.08701	1.4
163.11179	17.0
163.14890	0.8
164.07051	2.0
164.11560	0.6
165.06967	0.8
165.12823	2.6
166.09540	0.8
167.07011	0.7
167.10664	9.3
167.14415	0.7
170.59363	0.5
173.09631	2.2
173.13292	1.3
174.05507	9.4
181.10217	0.5
191.08852	1.0
191.10652	10.2
191.14339	2.9
192.06552	8.1
194.07315	0.8
195.83771	0.5
209.04420	1.0
209.09750	1.5
209.11702	14.4
209.15305	8.9
209.18764	0.6
209.50484	0.5
210.05496	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	209.1172
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03933	4.9
55.01874	11.0
55.05510	14.5
56.96547	2.6
57.02915	1.5
57.03423	4.4
57.07056	2.9
67.05502	17.4
69.03422	6.1
69.07069	25.1
70.06565	1.7
70.83592	2.9
70.83943	2.9
71.04992	24.5
78.09732	1.5
79.05492	60.6
81.03406	4.6
81.07050	17.2
83.04989	12.6
83.08594	2.0
84.08135	3.0
91.05476	33.8
93.07043	58.1
95.04972	15.8
95.08595	6.1
97.02871	1.8
97.06528	13.3
103.05453	4.4
105.07028	33.8
106.47253	1.5
107.04961	27.6
107.08596	62.0
108.29165	1.3
109.06522	10.2
109.10143	2.8
111.04420	5.8
115.05462	2.9
116.06224	4.2
117.07030	12.5
119.08582	12.5
121.06512	37.7
121.09315	2.9
121.10134	39.0
122.06903	1.7
123.08055	6.7
125.05983	11.8
125.09615	3.6
129.06960	4.7
130.07779	4.2
131.04935	2.6
131.08565	100.0
132.08917	2.3
133.06462	2.0
133.10124	3.8
135.04361	3.3
135.08026	5.4
135.11690	7.8
137.05988	1.9
139.07512	5.6
139.11209	2.4
141.05475	4.2
143.08623	1.5
145.06456	1.9
145.10120	45.6
147.08034	6.6
147.11673	4.8
148.91791	1.7
149.05995	6.0
149.09616	95.8
149.13286	1.9
150.09964	3.0
151.07541	2.2
151.11154	3.8
153.05460	17.4
163.11179	33.8
163.14821	2.6
164.16417	1.6
165.09097	4.0
165.12746	3.8
167.07042	5.9
167.10658	3.1
173.09590	5.4
173.13182	3.4
177.05464	2.5
191.08917	3.1
191.10649	36.1
191.14268	6.0
209.06152	2.0
209.09830	3.3
209.11719	50.1
209.15231	15.8
210.05545	2.6
213.35611	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.092
Annotation	D-Kynurenine
Peak:m/z	Relative Intensity
53.03933	1.5
55.01863	4.6
55.05499	2.4
55.74768	0.7
56.05033	1.3
56.96556	10.4
57.03432	1.4
57.07074	1.3
60.04523	1.3
61.02905	0.9
62.76167	0.9
65.03932	2.0
66.04272	0.7
67.05502	2.4
67.92506	5.1
68.05018	2.5
69.03431	4.9
69.04525	0.7
69.07062	1.9
70.06578	8.3
71.01309	0.9
71.04981	1.3
71.59726	1.0
71.95268	0.8
72.08139	2.0
74.02434	23.4
74.06074	0.8
79.05480	3.6
80.05006	1.1
81.03434	1.6
81.07047	4.3
82.06539	1.4
82.94830	14.1
83.04971	2.0
83.06098	2.5
83.08658	1.2
84.04506	2.1
84.08137	8.2
85.02910	2.2
85.93555	1.7
86.06055	5.9
86.09702	5.4
87.04460	13.2
88.03975	2.8
91.05472	9.5
92.05004	2.1
93.03436	1.0
93.07049	3.7
94.06557	100.0
95.04950	5.5
95.06079	13.2
95.06740	1.3
95.06848	1.1
95.08598	1.7
97.02862	2.5
97.06511	2.0
98.97555	1.3
99.00813	13.0
99.05510	0.8
100.95877	1.9
103.05473	3.0
104.04985	7.9
104.07085	17.7
105.04511	1.1
105.07002	2.2
106.02926	1.8
106.06526	2.0
107.04944	68.4
107.08587	3.5
108.05276	0.9
109.06505	1.9
109.07657	1.9
109.10158	1.0
110.06030	0.8
110.07158	1.3
111.04438	0.9
111.05550	1.2
112.07542	0.8
112.08724	2.9
114.93406	0.7
116.03433	0.8
116.07079	1.6
116.98558	1.3
117.05740	1.0
118.06529	49.7
119.04949	1.0
119.06866	0.8
119.08567	1.2
120.04448	31.9
120.08070	1.9
121.02852	1.1
121.06489	3.0
121.10114	2.6
122.06020	3.7
123.04442	1.9
123.08079	1.2
123.09116	1.5
123.11661	0.8
123.97446	14.7
125.05972	0.8
125.09634	2.0
126.93764	5.4
129.10255	1.3
130.08672	1.3
131.04924	2.1
131.08559	1.1
132.04436	14.0
133.02829	1.3
134.99663	2.1
135.04417	1.5
135.08058	2.9
135.11670	0.8
136.07567	36.8
137.07918	1.0
138.03049	0.9
144.94818	4.5
145.10136	1.3
146.05992	97.5
147.06325	1.8
149.01219	3.3
149.02261	1.0
149.05963	4.3
149.09612	3.3
150.05496	34.0
151.11151	1.3
152.07091	0.9
153.05473	1.0
153.09042	1.0
161.01181	1.2
161.98358	0.8
162.19554	0.7
162.95847	10.2
163.03897	1.4
163.07442	0.9
163.08623	9.3
163.09789	1.0
163.11086	1.0
163.12305	4.9
164.07028	19.0
164.08226	13.9
165.05420	0.9
167.02252	1.7
167.96407	12.1
174.05499	33.3
177.05473	4.9
180.96913	0.9
184.99117	0.8
185.97447	19.1
186.04433	1.2
186.06082	1.0
186.31700	0.7
186.99188	1.1
191.03568	0.8
191.06860	1.0
191.08298	1.0
191.10582	1.0
191.14265	1.0
192.06537	38.1
193.13356	3.2
194.22449	0.9
203.99501	0.8
204.05452	1.6
205.00185	2.5
205.03877	1.0
208.99091	1.8
209.04398	2.7
209.06268	1.1
209.09258	4.3
209.12880	5.3
209.15350	16.6
210.08711	5.0
210.11327	1.2
210.16057	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1172
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03951	7.4
55.01871	42.2
55.05513	34.4
56.96557	8.8
57.03427	9.9
57.07058	8.8
65.03948	7.3
65.71223	3.1
67.05169	5.1
67.05505	65.3
69.03410	5.9
69.07073	22.0
69.31036	31.8
69.52786	2.8
70.06577	10.3
71.04993	11.5
73.02928	4.3
79.05495	43.1
81.03415	10.9
81.07058	63.8
82.06628	3.5
83.04981	100.0
83.08627	18.3
84.08140	7.1
85.02902	4.6
85.06554	5.0
91.05479	29.6
93.07047	65.8
95.04965	22.8
95.08614	26.2
97.02903	7.5
97.06541	30.1
98.21442	6.5
99.04471	18.8
99.08097	7.1
101.02405	5.8
103.05451	6.5
105.07034	18.0
107.04980	19.8
107.08603	44.1
109.02861	3.8
109.06518	12.3
109.10146	15.0
111.04440	98.1
111.08087	43.3
113.05994	7.2
113.69301	2.8
117.07008	16.0
119.08602	18.5
120.04460	2.8
121.06511	13.0
121.10156	35.0
123.08099	7.0
123.11742	4.9
125.06001	24.5
125.09588	4.8
129.05498	31.7
129.06985	6.4
131.04947	4.5
131.08572	31.7
133.10121	4.2
135.08031	12.8
135.11693	35.3
137.05977	3.3
139.07559	5.9
145.06531	3.0
145.10133	36.7
147.08029	4.1
149.05998	7.4
149.09630	49.3
149.13272	8.7
150.06602	4.4
151.11168	5.1
153.07106	4.6
153.09091	5.1
153.12717	25.8
155.08557	3.8
163.11172	52.6
163.14830	4.4
164.07103	3.9
164.56841	3.2
165.07036	4.1
165.12769	4.3
166.07689	3.4
167.14282	4.5
173.09607	20.2
173.13280	4.2
181.06413	3.9
181.12213	19.8
191.10670	71.4
191.14381	8.3
209.09717	10.1
209.11707	70.9
209.15323	51.2
209.18982	3.7
210.05518	9.1
210.07434	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	208.9725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33521	15.0
59.51839	15.9
70.37655	68.2
82.51970	15.8
91.55811	16.1
91.85757	16.7
94.93026	27.4
96.92843	19.8
132.54639	15.7
191.94586	39.8
208.97252	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0966
Annotation	N-Acetyl-DL-phenylalanine
Peak:m/z	Relative Intensity
53.03936	1.7
56.05039	1.4
56.96557	1.5
59.48248	1.5
64.86517	1.2
65.03934	1.2
67.05503	2.6
68.05029	4.4
69.03417	1.3
69.07063	2.0
69.76960	7.3
69.77364	3.0
70.06593	8.7
71.04995	1.7
72.08123	2.9
74.02431	6.7
79.05478	4.8
80.05008	3.6
81.03392	3.2
84.04504	2.1
84.08143	8.5
86.09692	2.9
91.05474	21.5
92.05799	1.5
93.07029	6.0
94.06564	21.7
95.04985	8.3
98.06067	1.7
102.05576	1.4
103.05459	12.1
104.05014	1.2
104.09547	1.4
105.07027	7.0
106.06540	5.6
106.07204	1.6
107.04939	11.7
109.06493	1.6
110.06066	2.4
110.07140	1.7
111.09245	1.8
115.05453	4.9
117.05769	1.6
117.07009	16.7
118.06573	11.4
119.04942	17.6
119.06850	2.2
120.04460	5.9
120.08151	14.4
121.06526	12.7
121.08424	5.8
122.06031	2.8
123.04431	10.5
131.04936	3.3
132.04433	1.4
132.08096	9.5
133.05238	4.5
133.06471	1.4
133.08833	4.8
134.06006	9.8
134.09154	15.5
135.08067	11.6
136.07579	22.5
137.09616	2.3
140.07085	4.2
144.08092	36.3
145.06497	29.2
145.08435	6.2
146.05980	14.2
146.06932	1.6
146.09662	2.0
147.04395	3.8
147.06712	4.8
147.07903	1.7
147.09984	5.2
148.03912	4.5
148.07559	1.7
149.05954	1.8
149.57344	1.3
150.05533	2.1
150.06732	2.5
150.10271	1.9
151.03883	1.5
153.07262	1.4
155.06030	2.9
160.07570	3.0
161.05884	1.3
161.10828	1.9
162.05510	13.4
162.09143	100.0
162.11151	16.8
162.41245	1.4
163.09476	6.0
164.07072	2.9
165.05489	3.5
165.09143	10.3
166.08609	1.5
173.06232	1.6
174.05498	2.4
180.10213	1.5
185.03030	1.4
190.05006	2.7
190.08609	12.0
191.03387	2.4
191.07053	6.1
191.08789	2.0
192.06499	4.7
193.15916	1.6
208.06110	5.3
208.09689	44.5
208.11597	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	208.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.3
56.05030	2.9
56.96564	2.0
57.07078	1.3
58.99852	1.5
67.05512	1.5
68.64402	1.2
70.06567	3.2
70.75938	3.7
71.59924	1.2
73.02901	1.7
74.46053	1.1
77.00898	3.8
81.03421	3.5
82.06534	1.1
83.06127	1.1
84.08121	5.4
85.02914	1.6
89.95155	1.1
93.07057	1.3
95.01958	2.1
97.02896	1.6
98.01457	1.3
100.02476	1.8
103.02488	2.9
105.00371	1.6
108.04483	1.4
109.02848	2.8
116.01337	1.4
118.03519	3.4
119.01923	21.9
120.02013	2.6
121.01659	3.2
121.03503	1.3
129.08737	2.1
130.07156	1.6
130.51291	1.5
131.01913	7.7
133.03468	4.4
134.99701	4.4
137.01949	2.1
137.02937	12.5
137.09637	1.7
138.02988	1.9
139.02628	2.9
142.03473	1.5
143.01901	1.5
144.03236	3.0
145.03467	2.7
147.05005	2.2
147.09814	7.0
148.03889	2.2
149.00835	1.4
149.02977	3.1
153.00853	2.3
157.03487	14.0
159.01422	2.2
159.05048	4.4
161.02940	3.8
162.03035	3.0
162.04321	1.4
163.55559	1.2
165.09109	6.8
167.01898	3.6
167.96297	1.4
168.05022	1.8
172.04684	1.4
173.02927	3.8
173.70999	1.2
174.98579	2.8
175.04530	4.3
177.00937	2.4
177.06122	2.4
182.06680	1.5
184.05870	2.0
184.97839	2.0
185.02962	100.0
185.04529	4.0
185.06500	4.0
185.97520	3.3
186.03069	2.0
193.15926	2.1
199.99713	1.3
203.02211	6.7
203.04001	52.8
203.07751	8.1
204.04193	2.5
208.04510	24.2
208.06233	2.4
208.09697	7.0
208.13376	1.8
219.01968	2.1
221.03285	3.7
221.05055	3.2
226.03711	1.2
226.05589	6.3
226.09088	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03926	1.8
55.01858	2.6
55.05310	0.7
55.05507	8.5
56.05019	1.7
56.96563	4.8
57.03418	1.1
57.07054	1.7
59.04981	2.7
64.48351	0.8
64.82855	0.8
65.03934	1.9
67.05501	14.9
69.03425	4.8
69.07042	3.4
71.04975	3.6
71.58672	1.3
79.05494	11.3
81.03404	1.7
81.07049	14.4
81.07510	1.3
83.04976	22.6
83.08604	2.2
84.08128	0.9
85.01118	1.1
85.02886	2.1
85.06535	2.2
87.00706	5.5
91.05468	14.4
93.07035	13.3
94.06516	0.9
95.04979	7.2
95.08604	37.3
97.06501	4.2
98.97572	1.5
99.08096	1.2
102.03719	1.0
102.05531	3.0
103.05454	1.4
104.03330	4.9
104.85275	0.8
105.07027	40.5
107.04936	2.3
107.08581	18.8
109.06506	13.9
109.10151	1.9
111.04496	1.0
111.08058	2.1
113.05988	1.5
115.96482	1.0
116.98634	1.0
117.07021	3.0
118.01243	1.6
119.04944	5.4
119.08584	35.4
120.04451	1.1
120.09373	9.3
121.06499	2.9
121.10141	15.3
123.04441	2.2
123.08064	77.4
123.11689	14.2
124.08419	1.1
125.09613	3.9
128.06175	1.4
129.06982	1.8
131.08539	4.6
133.06483	12.4
133.10135	8.7
133.97552	1.2
134.09651	1.0
134.99612	0.9
135.08043	2.6
135.11723	1.2
137.05948	1.8
137.09601	6.0
137.13225	1.7
140.47987	1.0
141.05466	1.0
143.08542	4.9
144.86397	1.0
145.10107	3.6
146.31567	0.9
147.04401	2.2
147.08093	7.6
147.11685	13.3
149.09618	49.3
150.06683	1.1
150.10013	1.5
151.03891	3.8
151.07539	31.0
156.09341	7.0
159.08058	4.6
159.11728	2.2
160.08842	3.1
161.05952	3.2
161.09633	8.0
161.13269	23.3
163.11162	1.4
165.05486	0.9
165.09117	4.4
165.12715	4.1
167.02132	0.9
168.40239	1.1
171.11694	12.1
174.10414	11.2
175.03944	1.1
175.76868	1.0
178.07788	2.1
179.07053	2.1
179.08524	1.5
179.14357	1.5
189.12737	78.5
190.03392	1.2
190.05031	3.7
190.08542	1.2
190.13052	1.8
191.09024	1.0
207.06383	4.5
207.08124	3.2
207.13795	100.0
207.17352	3.9
208.09668	3.0
208.14076	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
52.97590	1.8
53.03929	3.1
54.11109	1.9
55.01866	4.8
55.05514	13.9
55.86906	1.9
56.96341	2.0
56.96568	24.6
57.07063	4.8
60.95845	3.7
65.03928	2.9
65.09782	1.9
67.05501	26.8
69.03411	6.4
69.07053	14.7
71.04971	8.5
71.08614	2.9
71.59147	3.5
79.05486	21.3
81.03410	5.2
81.07048	26.5
83.04962	5.5
83.08612	4.8
85.02900	13.5
85.06544	12.3
91.05473	24.1
93.07046	26.8
95.04958	21.3
95.08605	26.4
97.02851	2.2
97.06525	19.0
99.04455	3.0
99.08063	2.3
103.05441	3.1
105.07021	34.1
107.04954	4.3
107.08588	24.2
109.06515	100.0
109.10156	12.5
111.04409	2.7
111.08078	62.7
113.05979	3.7
115.05426	2.9
115.96364	2.2
117.06991	3.0
119.04917	3.2
119.08572	37.2
121.06484	7.9
121.10139	21.1
122.07218	3.7
123.08070	29.0
123.11684	13.1
128.06160	3.5
129.06940	3.8
131.08560	8.5
133.06474	5.0
133.10123	22.0
133.97395	3.4
135.08028	7.8
135.11656	2.4
135.56018	1.9
137.09621	12.7
137.13219	4.8
143.08578	5.5
145.06514	2.4
145.10123	8.1
147.04364	2.3
147.08009	9.3
147.11682	48.1
148.04012	2.7
149.09619	24.0
151.03902	5.2
151.07564	23.1
151.11200	2.4
156.09328	11.3
159.08069	5.5
161.01170	3.1
161.09654	10.0
161.13263	16.8
163.07550	5.3
163.11113	3.5
163.14975	2.1
164.08315	7.7
165.09117	11.0
165.12758	18.9
171.11705	20.4
173.09712	2.4
174.10422	10.8
179.07094	2.3
179.08521	2.7
179.14333	2.8
185.04807	5.1
189.09068	1.9
189.12743	39.5
189.16364	4.5
190.04987	4.7
190.08072	1.7
190.13008	2.8
193.05013	1.8
199.76927	2.0
203.05875	11.0
207.06456	8.7
207.08260	4.1
207.10052	2.4
207.11891	4.0
207.13768	47.2
207.17279	9.1
208.09689	6.7
221.06902	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03934	6.4
55.01862	6.2
55.05512	18.4
55.49562	2.0
55.58075	2.4
56.96561	12.1
57.03417	4.6
57.07058	10.5
59.04985	4.3
65.03930	5.1
67.05173	3.9
67.05505	54.6
68.99759	2.0
69.03431	26.9
69.07066	13.5
69.19040	2.1
69.94229	3.7
69.94636	9.9
70.06574	4.8
71.04976	10.5
72.08148	5.4
76.86411	2.1
79.05062	2.8
79.05494	27.5
81.03398	8.8
81.07048	30.7
83.04965	10.0
83.08578	5.6
84.08139	6.9
85.02893	4.3
85.06525	6.6
89.94736	2.3
91.05470	53.2
93.07043	31.5
95.04961	24.8
95.08603	100.0
95.39285	2.9
97.02923	2.5
97.06501	9.6
98.21458	2.6
98.97571	3.4
99.04439	3.5
103.05477	6.6
105.07030	65.2
107.04950	14.5
107.08588	30.6
109.02888	3.4
109.06512	17.1
109.10150	19.2
110.05981	2.5
111.08060	3.1
115.05457	2.5
116.98600	2.4
117.07005	8.9
119.04933	11.5
119.08572	58.5
120.04456	5.1
120.09368	2.8
121.06509	9.9
121.10155	24.2
123.04411	9.0
123.08060	71.1
123.11687	16.3
125.05939	3.3
128.06210	7.3
129.06992	6.2
131.04913	5.7
131.08563	9.1
133.06505	14.5
133.10132	33.4
134.99622	3.1
135.08051	13.5
135.11673	4.6
137.05951	5.8
137.09612	27.9
137.13261	4.1
143.08543	12.5
145.06458	3.1
145.10107	7.8
146.07312	4.3
147.04399	4.0
147.08049	33.0
147.11671	34.1
148.06511	4.3
148.08646	3.6
149.09612	39.9
150.06714	2.3
151.02821	3.0
151.03902	7.7
151.07495	14.9
151.11174	3.6
151.14816	3.6
156.09334	6.2
159.08054	4.3
160.08932	2.4
161.05975	11.0
161.09634	40.5
161.13226	29.6
163.11159	9.9
165.05449	3.4
165.09094	15.7
165.12778	12.0
171.11693	7.9
174.10370	6.6
175.03955	4.0
179.14304	4.9
189.05495	5.9
189.09129	7.7
189.12726	29.8
190.05005	4.7
207.06335	10.7
207.08115	7.0
207.10193	16.1
207.12164	3.8
207.13797	64.9
207.17400	10.0
208.09660	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	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
52.57700	0.5
53.03928	1.0
55.01853	1.3
55.05300	0.4
55.05505	4.8
56.96548	1.4
57.03437	3.3
57.07067	1.4
59.04975	2.4
63.86975	0.5
65.03912	1.8
67.05174	0.8
67.05499	11.1
69.03427	7.5
69.07066	6.6
71.04966	1.7
71.07392	0.6
71.07733	1.0
79.05483	13.6
81.07050	12.4
83.04974	6.4
83.08588	1.6
85.02898	1.1
85.06539	1.1
87.46312	0.5
91.05473	20.6
93.07035	30.6
95.04959	9.9
95.08043	0.8
95.08595	10.0
97.06527	4.9
98.97553	1.4
99.04453	0.7
103.05442	1.2
105.07020	37.9
107.04926	2.2
107.08585	15.9
109.06504	8.2
109.10147	4.6
110.09667	0.9
111.08067	5.4
115.05407	1.3
115.96435	0.6
116.98618	1.4
117.07002	5.8
119.04935	8.7
119.08568	28.8
119.19029	0.6
120.08086	0.5
121.06486	4.2
121.10138	6.1
122.06042	0.6
123.04388	1.5
123.08060	9.3
123.11652	1.2
128.06212	3.0
129.07007	3.6
131.04903	0.7
131.08554	4.0
132.02066	0.7
133.06473	7.0
133.10110	9.0
133.97426	0.8
134.99635	0.6
135.08044	1.8
135.11673	2.1
137.05968	4.6
137.09633	3.7
139.07504	0.9
141.06966	1.3
142.07733	0.8
143.08539	5.7
145.06464	1.1
145.10104	5.4
146.07178	1.1
147.04373	5.4
147.08025	7.8
147.09091	0.9
147.11670	16.5
148.07507	1.3
149.02327	1.0
149.09618	5.6
151.07515	4.5
151.11163	1.0
156.09309	5.9
159.08011	1.2
159.11691	5.4
160.08867	0.6
161.09602	7.2
161.13242	23.8
161.14600	1.2
162.13503	0.6
163.07521	0.6
163.11160	2.1
164.04674	0.8
165.09122	1.6
165.12746	1.2
171.11690	7.3
174.02988	0.5
174.10378	1.8
175.03859	5.1
176.11996	0.8
177.12708	4.1
179.07019	1.0
179.14253	3.8
189.09073	0.6
189.12733	17.2
190.13031	0.9
192.04163	1.9
207.06410	4.5
207.13783	100.0
208.14119	1.4
213.74364	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03958	1.0
53.61144	0.5
55.01872	1.6
55.05501	3.0
56.96559	1.5
57.03420	0.7
57.07074	0.7
59.04995	2.2
61.15889	0.5
61.37705	0.6
62.18533	0.7
62.49421	0.5
65.03925	0.8
67.05502	3.4
69.03427	7.4
69.07066	2.4
69.72910	3.4
71.04993	4.1
75.46108	0.5
79.05484	5.3
80.24817	0.5
81.03421	1.6
81.07060	5.8
83.04984	5.6
84.04476	0.6
85.02900	2.8
89.87868	0.5
91.05473	12.7
92.05775	0.5
93.07034	9.2
95.04986	3.5
95.08607	6.4
97.06521	2.3
98.21472	0.9
98.97577	1.0
100.90229	0.5
101.05988	0.8
103.05466	1.0
105.07027	18.6
106.91564	0.6
107.04932	3.6
107.08591	13.4
109.06519	6.0
109.10185	1.5
111.08073	0.7
115.05376	0.7
115.96450	1.1
116.98663	0.7
117.06980	2.6
119.04932	7.6
119.05828	0.7
119.06824	0.8
119.08570	14.3
121.06500	5.0
121.10136	11.8
122.07233	0.7
123.04417	0.7
123.08062	11.3
123.11724	3.5
125.05998	0.8
128.06198	1.2
129.07028	1.8
130.07782	1.3
131.08514	3.6
133.06465	4.1
133.10127	4.3
134.99629	0.5
135.08084	1.3
135.11678	1.1
136.05232	0.5
137.05959	0.8
137.09608	4.7
137.13248	1.5
141.07004	0.6
142.07713	0.6
143.08560	4.5
145.06430	1.4
145.10115	9.8
146.03702	0.9
147.04384	4.6
147.08041	5.0
147.11688	10.2
148.08751	0.8
149.02309	1.1
149.09612	100.0
150.09929	1.5
150.61580	0.5
151.07529	3.8
156.09355	3.7
157.04022	0.8
159.08060	1.0
159.11665	1.0
160.08858	4.2
161.05934	0.6
161.09625	6.0
161.13248	8.5
163.11166	33.6
164.07983	0.6
164.11588	0.8
165.09102	1.5
165.12756	6.1
171.11674	8.7
174.10460	3.7
175.03888	4.8
179.07088	0.9
179.14294	0.6
189.09172	1.0
189.12729	24.8
190.12975	0.7
192.04164	0.9
207.06534	4.0
207.13791	72.5
208.07047	0.6
208.14095	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.49255	0.7
52.30595	0.7
53.03938	1.3
55.01863	0.9
55.05509	7.4
57.07077	4.2
59.04984	1.0
65.03941	2.1
67.05499	29.9
69.03419	5.1
69.07050	3.3
70.84661	2.3
71.04987	1.8
71.36754	0.6
79.05486	5.4
81.03426	0.8
81.07050	7.3
83.04955	4.8
83.08636	1.2
85.02899	0.8
85.06536	9.4
89.80647	0.8
91.05470	13.2
93.07034	13.3
95.04968	4.9
95.08598	100.0
96.08924	1.2
97.06516	1.8
103.05473	1.4
105.07028	17.6
107.04940	1.3
107.08578	16.9
109.06493	5.4
109.10150	3.6
111.08055	1.7
113.05988	5.3
117.06985	1.0
119.04926	4.0
119.08572	28.2
120.09368	1.3
121.06488	4.3
121.10132	15.2
121.22041	0.6
123.08057	57.9
123.11674	6.5
124.08346	0.8
125.09664	0.9
129.06996	1.0
131.08545	3.5
133.06462	1.9
133.10110	5.4
135.08051	1.7
135.11665	3.1
137.09647	4.1
137.13275	1.6
139.07507	1.1
143.08575	1.2
145.10081	2.1
147.04430	2.1
147.08044	5.7
147.11679	11.2
149.02333	0.8
149.08385	1.5
149.09601	31.9
151.07515	2.2
151.14769	3.4
156.09323	2.6
159.08028	1.3
159.11691	0.8
161.09576	2.2
161.13249	16.6
163.11174	2.4
165.09145	2.0
165.12737	10.0
171.11615	3.5
174.10388	4.4
175.03856	3.4
179.14273	2.8
189.12712	15.4
207.06454	0.9
207.13780	24.7
226.43272	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.48349	0.7
53.03943	1.3
55.01859	1.0
55.05511	7.0
56.05006	0.8
56.96566	1.8
57.03434	0.9
57.07066	3.4
59.04984	2.8
65.03925	2.1
67.05504	35.7
68.99792	1.0
69.03429	6.8
69.07053	4.0
70.06579	1.6
70.72782	0.9
71.04980	3.2
71.08593	0.9
71.33561	1.7
72.08165	1.0
75.96116	0.8
77.03912	0.9
79.05489	10.2
80.54233	0.7
81.03417	1.5
81.07059	10.3
83.04977	5.7
83.08604	1.2
84.08122	2.0
84.94115	0.8
85.02886	1.8
85.06548	8.7
91.05478	21.9
92.04944	0.9
93.06483	1.4
93.07047	20.5
95.04973	9.8
95.08604	100.0
96.08926	1.1
97.06496	2.3
99.04483	0.7
99.08065	0.8
103.05441	1.6
104.02794	0.8
104.24030	0.7
105.07034	30.4
106.94151	0.8
107.04941	4.4
107.08593	22.9
108.91225	0.7
109.02882	1.2
109.06521	7.8
109.10148	6.1
111.04373	1.0
111.08076	3.4
113.05994	4.7
115.05432	1.5
116.06234	0.9
117.07011	2.9
118.06551	1.1
119.04948	4.3
119.08582	39.7
120.08057	1.9
120.08820	0.8
121.06503	7.1
121.08432	3.4
121.09317	1.2
121.10148	20.1
123.04444	1.0
123.08064	69.9
123.11691	10.3
124.08448	1.2
125.09615	1.4
128.06212	1.7
129.06976	2.5
130.07716	1.0
131.08566	6.3
133.06511	6.4
133.10132	10.5
135.08032	3.9
135.11702	2.8
137.06009	1.5
137.09622	9.3
137.13249	2.3
139.07520	2.1
141.06972	1.2
143.08577	5.3
144.08076	0.9
145.06474	3.3
145.10107	4.3
147.04404	2.7
147.08017	11.8
147.11682	19.0
149.09622	50.3
150.09993	0.9
151.03899	1.4
151.07521	3.2
151.11160	0.9
151.14772	3.7
153.09125	1.1
156.09366	4.2
157.08583	1.0
159.08067	4.1
159.11684	1.8
160.08839	1.6
161.05930	3.0
161.09627	8.5
161.13263	23.1
161.14610	1.6
163.07451	0.9
163.11185	7.3
165.09082	5.5
165.12746	13.1
171.08018	1.3
171.11647	5.8
174.10384	6.5
175.03902	1.9
178.07715	1.1
179.08524	0.9
179.14285	3.3
189.09114	2.4
189.11063	1.6
189.12732	24.2
190.13217	0.9
207.06487	2.6
207.08257	1.9
207.10161	3.6
207.13794	40.1
207.17357	1.7
208.06017	0.8
208.09691	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.2
53.03944	7.6
55.01876	1.5
55.05260	0.7
55.05508	7.7
65.03950	1.4
67.05502	26.3
69.07062	5.1
70.13997	3.3
71.04982	2.8
73.06543	1.1
75.05557	0.6
77.03925	1.4
79.05486	50.7
81.03413	1.4
81.07054	23.3
82.21707	0.8
83.04990	3.6
83.08617	2.1
85.06544	2.8
86.53842	0.7
91.05476	52.5
93.07038	100.0
94.07395	0.7
95.04965	19.6
95.08602	8.0
97.06526	0.9
97.10152	1.3
105.04482	3.3
105.07021	26.0
107.04951	1.7
107.08568	9.2
109.06527	3.3
109.10154	0.7
110.13691	0.6
117.07002	6.0
119.07779	1.3
119.08576	16.7
121.06581	1.3
121.10111	1.9
123.08079	3.6
127.07578	0.8
128.06235	2.4
129.07008	9.1
133.10138	5.5
135.08096	0.7
143.08530	4.9
145.10103	9.8
147.08025	1.8
147.11674	55.8
148.12077	1.3
159.11700	0.7
161.09630	2.6
161.13222	6.9
163.03899	1.3
171.11685	18.6
189.12746	11.0
207.13779	18.0
207.15727	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03945	6.9
55.01869	2.3
55.05511	8.6
56.96556	3.6
57.03431	0.9
57.07089	1.1
65.03936	1.6
67.05179	1.8
67.05508	25.0
69.07064	6.6
69.42874	5.1
69.43304	2.7
71.04983	4.2
71.75578	0.8
71.79099	0.9
77.03912	1.8
79.05492	46.8
81.03407	2.9
81.07057	25.2
83.04978	2.7
83.08603	3.0
85.02906	1.1
85.06542	2.9
85.65366	0.8
91.04885	1.8
91.05480	55.9
93.07043	100.0
95.04967	20.3
95.08609	10.6
96.40241	1.0
97.06536	2.2
98.21449	2.2
105.04521	3.0
105.07031	33.6
107.04967	1.9
107.08591	9.7
109.06535	4.9
111.08045	1.1
117.07002	5.5
119.08579	21.1
121.06520	1.5
121.10145	4.7
123.08080	4.3
127.07555	1.5
128.06160	1.2
129.06995	9.8
131.08551	2.6
133.06451	1.1
133.10127	5.4
137.09602	1.6
137.36693	1.1
143.08591	7.6
145.10120	7.1
147.08069	2.2
147.11691	62.6
148.12030	1.5
149.09622	1.4
151.07593	1.0
161.09633	4.9
161.13277	8.2
163.03915	5.7
165.09036	1.6
171.11705	16.2
189.12761	10.4
207.06520	3.4
207.13777	17.0
207.17268	1.3
208.09767	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	Plastoquinol-1
Peak:m/z	Relative Intensity
53.03937	0.3
55.01855	0.2
55.05501	1.1
56.96288	0.4
56.96561	6.2
57.03431	0.5
57.07065	1.2
59.93482	0.2
67.05490	1.7
69.03404	0.8
69.07062	3.1
70.67835	0.4
70.68198	0.6
71.04981	0.6
72.04501	0.3
79.05478	2.5
81.03413	0.4
81.07054	3.1
83.04958	0.8
83.08611	0.5
85.02923	0.3
85.06535	0.3
89.13107	0.2
91.05474	3.5
93.07026	2.8
95.04953	2.3
95.08587	2.0
97.06512	0.5
103.05459	0.4
105.07026	6.6
107.04950	0.5
107.08582	3.1
109.06519	1.9
109.10136	0.8
115.05430	0.4
115.96417	1.4
116.06202	0.3
116.97212	0.4
117.06996	1.1
117.53928	0.2
119.04972	0.4
119.08572	6.2
121.06498	1.7
121.10144	2.8
122.07233	0.4
123.08067	5.4
123.11681	1.7
125.09550	0.5
128.06219	0.5
129.06978	1.1
130.07773	0.4
131.08565	2.4
133.06477	1.9
133.10089	1.6
133.97475	1.4
135.08023	0.9
135.11667	0.9
136.08792	0.6
137.05968	0.8
137.09612	0.9
142.04735	0.3
143.00146	0.4
143.08537	0.7
145.10098	2.3
146.10861	0.5
147.04381	0.4
147.08083	1.4
147.11667	6.9
149.09613	3.9
151.07530	6.6
155.05362	0.8
155.55566	1.9
156.05742	0.3
156.09294	1.3
157.01656	0.3
159.08040	3.9
161.01219	0.9
161.09587	0.6
161.13231	1.2
161.57249	0.3
163.07498	0.4
163.11136	2.4
164.11920	1.0
164.56059	0.5
165.09125	1.5
165.12741	2.8
165.57671	0.7
167.06349	0.5
171.11668	1.3
173.09613	1.4
174.08034	0.4
174.10384	5.9
174.58182	0.7
175.08284	0.3
175.11147	0.9
177.09085	2.1
179.02255	0.4
183.08543	0.5
183.58739	1.6
186.08981	0.3
189.12715	8.3
191.10667	3.7
192.11432	28.5
192.59343	0.4
193.11867	0.6
195.09500	0.4
207.13780	100.0
208.14124	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	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02359	0.9
51.91765	0.7
52.53765	0.7
53.03938	8.0
55.01860	1.7
55.05504	8.4
56.96555	1.1
57.03416	0.9
57.07061	1.4
65.03930	2.1
67.05502	26.3
69.07072	6.3
69.96545	3.0
71.04980	3.0
73.06531	1.2
77.03929	1.2
79.05489	45.1
81.03423	1.6
81.07050	21.4
83.04995	4.2
83.08611	2.6
85.06538	2.3
85.60581	1.0
91.05473	54.9
93.07037	100.0
94.07372	1.1
95.04961	18.4
95.08598	8.5
97.06522	2.7
97.10139	1.2
105.04523	2.5
105.07020	28.9
107.04967	1.3
107.08588	10.6
109.06522	4.8
109.10109	1.0
111.08072	1.2
115.05509	1.0
115.50919	0.9
115.96456	3.7
116.82570	0.7
116.97217	1.8
117.07024	5.0
119.08572	18.7
121.06480	1.0
121.10148	3.3
123.08062	5.6
127.07562	1.5
128.06210	1.9
129.06999	10.6
131.08600	1.6
133.06480	1.1
133.10100	6.5
133.97479	2.3
135.11673	1.1
136.25465	0.8
137.09645	1.3
143.08583	5.4
145.10107	8.8
147.08092	2.0
147.11676	52.9
149.09602	1.4
156.09323	0.9
161.09630	3.1
161.13239	9.2
165.12749	0.9
170.82274	0.8
171.11674	21.6
184.00075	0.8
189.12711	11.7
192.09413	1.6
193.09891	1.1
207.06277	0.9
207.11845	1.8
207.13756	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1127
Annotation	12-Hydroxycytisine
Peak:m/z	Relative Intensity
53.03939	1.5
55.01865	1.7
55.05499	1.7
56.96552	1.3
57.07066	2.7
61.96659	0.9
67.05495	4.5
68.05021	1.8
69.03422	1.7
69.07074	1.7
70.06599	4.6
70.18835	3.4
71.04977	1.8
71.06910	1.0
73.02919	1.1
74.02440	18.6
79.05489	6.6
80.05003	3.5
81.03395	1.9
81.07056	3.6
83.04977	1.4
84.04511	1.1
84.08141	4.1
85.02895	1.9
86.09719	1.1
91.05473	15.8
92.06257	2.2
93.07046	7.4
94.06584	6.4
95.04952	4.3
95.08596	5.5
96.08173	1.1
103.05475	8.2
103.45176	1.0
104.06274	1.2
105.07028	13.0
106.06580	6.6
107.04958	5.6
107.06056	1.0
107.08594	4.5
109.06499	2.9
109.07593	1.4
109.10136	1.2
115.05440	4.2
116.06244	1.9
116.98617	1.2
117.05759	2.5
117.07024	9.2
118.04161	1.1
118.06546	24.8
119.04946	6.9
119.07357	9.7
119.08540	4.7
120.04476	1.0
120.08113	46.6
121.06505	3.7
121.10139	1.9
122.06000	1.3
123.04407	2.6
123.08062	4.4
123.11683	1.6
128.06236	2.7
129.07013	5.6
130.06535	2.4
131.04903	1.9
131.07343	6.2
131.08273	1.0
132.06775	0.9
132.07123	1.2
132.08096	12.3
133.06593	2.0
133.08879	94.8
134.06018	6.3
134.09695	15.3
135.04373	1.2
135.08092	3.4
136.07593	4.6
137.09616	4.5
143.07292	2.6
144.08087	47.5
145.06522	6.1
146.05998	4.4
146.08492	2.2
146.09650	35.4
147.04411	2.6
147.08055	2.5
147.11685	2.9
148.03899	1.4
148.07564	8.5
148.08636	2.0
149.05995	1.8
149.09589	3.5
151.03896	4.3
151.07495	1.5
155.06061	1.5
159.09171	5.6
160.07651	1.4
160.09444	1.4
161.05936	1.7
161.07040	9.5
161.10757	100.0
162.05467	3.1
162.09135	44.6
162.11206	2.0
162.12712	1.0
163.12297	1.4
164.07063	2.2
165.05464	1.8
165.09138	2.8
165.12767	2.1
166.08684	1.7
172.07570	4.4
175.03944	2.3
179.07022	3.1
179.08475	1.2
180.10121	1.0
189.10233	3.8
189.12721	2.4
189.16347	1.2
190.04993	3.2
190.08617	12.7
191.03310	1.3
192.04243	1.5
206.65451	2.3
207.02808	1.1
207.06633	5.9
207.08220	2.2
207.11305	65.9
207.13704	3.6
207.17470	3.3
208.06183	1.3
208.09698	8.8
208.11562	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	207.1016
Annotation	Aristelegone C
Peak:m/z	Relative Intensity
55.01850	2.6
55.05499	1.9
56.05032	1.5
56.96554	1.4
57.03444	7.0
57.07070	2.8
58.27378	1.1
65.03938	1.6
67.05486	4.4
68.05007	1.6
69.03413	3.9
69.07060	3.0
70.06570	3.9
70.19250	3.4
70.19629	2.4
71.04977	4.3
72.08128	2.2
75.76894	1.2
79.05489	6.4
81.03403	1.8
81.07054	4.6
83.04976	1.7
84.04496	2.1
84.08155	5.4
84.94025	1.0
85.02898	2.8
86.09689	1.8
91.05465	12.4
93.07021	3.9
95.04977	5.6
95.08599	4.8
98.09675	1.2
103.05450	4.9
105.07030	33.2
107.04913	3.8
107.08588	4.9
109.06516	4.2
109.10125	2.6
110.09548	1.1
112.11210	1.5
115.05447	5.2
117.07025	3.5
118.64177	1.2
119.04950	5.5
119.08599	7.3
120.04430	1.5
120.08107	2.1
121.06499	1.8
121.08459	2.0
121.10140	3.4
123.04414	2.9
123.08080	6.7
123.11722	2.8
124.08639	1.1
128.06213	4.1
129.06990	1.4
131.04913	4.7
131.08542	1.9
133.06490	100.0
133.10083	3.1
137.05994	2.3
137.09608	6.2
143.08566	3.5
145.06508	5.6
147.04388	4.0
147.08043	4.5
147.11688	3.2
148.08510	1.4
149.09601	5.3
151.03871	3.8
151.07521	2.9
151.08653	1.7
155.66696	1.2
159.08047	1.5
161.05994	2.1
161.09586	3.4
161.13255	2.3
162.05484	1.2
165.03163	1.3
165.09085	3.3
165.12726	3.0
166.86360	1.1
167.10526	1.1
171.07967	3.2
175.03827	1.5
179.06993	2.2
189.09079	2.7
189.12785	3.3
190.04987	3.2
207.02722	1.5
207.06526	4.8
207.08366	2.1
207.10365	8.2
207.12164	2.5
207.13885	8.3
207.17442	3.7
208.09846	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0652
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
51.02375	1.2
53.03934	1.9
55.01671	0.6
55.01875	6.0
55.05500	1.3
56.96548	2.9
57.07073	1.4
65.03954	3.3
67.05512	4.3
69.03407	0.9
69.07067	1.7
69.96656	3.6
71.05000	1.3
77.00625	0.7
77.03889	0.9
79.05497	11.2
81.03413	1.6
81.07053	5.0
83.04967	1.2
85.02876	1.0
85.34591	0.7
87.66829	0.7
91.05482	42.0
93.03371	0.9
93.07040	9.4
95.04967	7.2
95.08605	5.7
95.96847	0.7
97.06573	0.8
103.05472	10.0
105.07024	6.1
107.04956	12.7
107.08588	2.6
109.06526	3.8
109.10134	1.6
111.04417	1.3
111.08075	0.9
115.96412	1.7
116.97208	0.8
117.07034	1.0
119.04949	18.5
119.08559	7.0
121.02869	27.4
121.06486	1.0
121.10139	2.2
123.04431	0.9
123.08079	3.3
123.11697	0.8
129.03371	7.8
129.07018	0.8
131.04889	2.3
131.08530	0.8
133.02827	2.1
133.06480	1.4
133.10120	2.9
133.97430	1.1
137.09587	1.5
143.08594	0.8
145.10110	1.4
147.04407	10.6
147.08072	1.6
147.11697	7.2
149.09589	2.2
151.03947	0.9
151.07515	1.4
161.01277	1.1
161.02939	1.0
161.09628	1.5
161.13239	2.5
165.05464	2.1
165.09042	0.9
165.12715	0.7
171.11685	1.8
175.03908	68.9
176.04253	1.5
179.08502	1.0
189.12802	3.3
189.16391	0.7
193.04970	100.0
194.05295	2.8
207.02856	0.8
207.06506	4.0
207.08171	1.6
207.09941	0.9
207.12006	1.0
207.13817	5.6
207.17406	2.0
208.09785	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0652
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
51.02379	1.3
53.03942	0.9
55.01862	1.1
55.05521	1.0
63.12212	0.7
65.03941	9.2
66.04707	0.9
66.11236	0.7
66.17918	0.7
67.05500	0.7
69.03428	1.0
71.04868	0.8
71.05191	0.8
74.78865	0.7
76.03156	1.6
77.03925	1.7
78.01915	0.7
79.05491	2.3
80.06211	0.9
81.03413	1.2
81.07050	1.9
85.02899	7.0
89.03907	5.4
90.04706	1.6
91.05477	100.0
92.05795	1.7
93.03406	1.0
93.07022	1.4
95.04971	1.9
95.08598	1.3
103.05470	2.3
104.02617	1.5
105.03395	1.7
105.07028	2.4
107.04953	3.1
107.08540	1.3
108.05746	1.4
109.06461	1.0
109.10143	1.5
112.86143	0.8
118.04156	8.6
119.04940	98.1
119.08572	2.0
120.05270	1.1
121.02867	2.7
121.10148	1.3
122.03652	1.8
123.08054	1.6
123.10925	0.7
123.11687	3.6
125.05968	0.7
129.03380	1.8
129.04398	1.0
131.04871	1.2
131.08585	1.2
132.02061	7.6
133.02829	2.1
133.06470	0.8
133.10139	0.7
134.03665	1.0
135.04408	5.2
136.05223	3.6
145.02829	2.7
146.03641	4.3
147.04405	79.2
147.08047	2.8
147.11678	1.8
148.04813	1.2
148.08662	0.9
149.02339	13.1
149.09583	2.0
150.03090	1.3
151.15399	0.7
157.03958	7.1
161.09552	0.7
162.03133	0.9
163.03922	1.7
164.04709	7.5
174.03117	2.7
175.03900	92.2
176.04298	2.7
177.01807	3.1
178.02530	0.9
179.07034	8.4
189.12682	1.8
192.02411	1.5
192.04167	27.6
207.06517	45.8
207.13788	4.3
208.06847	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1176
Annotation	Bellendine
Peak:m/z	Relative Intensity
54.47322	1.0
56.05023	1.2
63.81070	0.8
67.11208	0.8
68.05023	1.7
72.17959	1.0
74.51611	0.9
80.05018	2.4
81.03422	1.8
83.02454	0.9
86.25058	0.8
95.06090	0.9
97.56121	1.1
108.04467	3.1
108.05632	1.2
108.63881	0.8
109.07647	1.8
112.08757	1.7
120.05560	1.1
121.07648	1.4
122.07146	2.3
123.06706	1.1
123.09188	1.0
124.08783	1.0
136.08742	1.2
139.28107	0.9
145.08871	3.9
147.06747	1.4
148.07622	1.1
148.08730	1.9
150.02721	1.2
161.08205	1.3
162.09160	18.2
164.09338	3.1
165.07765	0.9
165.11386	3.3
174.09213	3.0
176.07094	3.4
177.07877	10.7
178.05031	1.0
188.07086	2.8
189.11415	1.4
190.08652	52.1
191.05812	1.2
191.09442	18.9
206.08157	5.9
206.11810	100.0
206.14009	8.4
206.19061	1.8
207.12115	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	207.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.4
55.01863	21.5
55.05503	4.2
56.05039	4.4
56.96546	6.8
57.03438	39.7
57.07066	3.0
58.06602	7.1
60.04532	4.6
61.02928	41.2
67.05492	10.3
69.03426	57.2
69.07060	8.0
70.06586	7.7
70.40498	11.2
71.01355	5.2
71.04992	9.5
73.02917	67.6
74.06065	9.1
77.00905	3.6
79.05482	5.8
80.05038	3.0
81.03407	19.1
81.07053	7.8
83.04994	6.7
84.04495	4.5
84.08147	11.5
85.02904	78.3
86.06062	5.2
86.99292	3.4
87.04469	7.2
88.02679	6.2
91.03951	4.5
91.05485	9.3
93.07046	9.2
94.02674	5.7
94.94584	3.1
95.04979	6.7
95.08614	10.6
96.02428	9.8
97.02882	56.9
98.03218	4.2
98.97589	9.5
99.04477	10.5
100.02553	7.1
101.00876	14.0
101.01629	3.0
101.02395	4.1
102.02402	19.1
102.05536	5.1
103.03944	3.5
104.02157	6.2
105.02982	4.2
105.07054	10.9
105.23328	3.5
107.04960	9.6
107.08579	6.5
108.02419	12.0
109.02898	6.0
109.06519	4.6
110.01340	5.1
110.02165	16.1
110.06071	3.8
110.81437	3.1
111.02940	9.5
111.04514	5.8
111.52991	5.4
113.00886	7.1
114.02425	7.3
115.02431	16.2
115.03174	7.1
115.03940	9.9
116.02100	5.6
116.98628	10.8
117.02103	6.4
117.02942	19.0
118.03413	8.2
119.01922	98.1
119.02628	4.4
119.04922	3.4
119.08595	6.8
120.01994	4.4
120.03419	4.2
120.04409	3.5
121.01669	10.4
121.10141	5.9
122.02157	4.4
122.90308	3.4
123.02908	8.4
123.08094	7.1
124.03761	3.7
125.02618	11.6
126.02555	5.3
126.03471	13.2
127.03933	21.4
128.02277	4.7
128.53709	4.3
129.02922	9.0
130.03680	5.6
131.01883	61.2
131.02673	4.8
131.52701	3.6
132.03470	11.2
132.53523	6.9
133.01619	3.6
133.03474	75.4
133.04398	6.2
133.06519	4.1
134.02225	5.5
134.03552	9.5
134.99693	7.3
135.04007	6.3
137.02908	38.1
137.09593	6.3
138.03439	18.5
139.02539	3.9
140.03194	7.5
141.03989	9.1
143.01927	28.4
144.01926	3.5
144.03432	8.1
145.03430	17.2
146.03188	5.9
146.99583	8.2
147.01399	4.8
147.03938	15.6
147.08249	5.0
147.11668	6.9
148.03934	4.9
149.02957	19.7
149.09651	9.3
150.03412	7.4
151.04622	18.0
153.03981	11.5
155.01898	13.6
156.01929	3.5
157.03450	33.5
159.03989	8.6
160.04752	4.9
161.02950	100.0
161.13220	4.7
162.03172	9.4
162.04488	13.0
163.04579	7.6
165.06775	3.5
165.09140	8.3
167.01907	5.6
169.03448	4.8
171.01410	5.8
171.11653	5.0
173.02968	80.7
174.03137	9.7
175.02763	5.1
175.04495	14.5
177.00772	5.4
177.02457	3.5
177.05049	4.2
179.04013	18.2
180.04985	4.2
184.04539	23.5
185.02946	55.6
187.04564	6.5
189.00699	5.1
189.02486	6.5
189.12697	7.0
189.16293	3.7
191.04024	48.8
192.04131	8.8
197.02951	4.5
198.05617	8.3
203.03987	44.1
206.65338	6.7
206.95659	4.5
207.03125	4.4
207.13791	10.7
207.17451	9.8
208.04541	10.7
208.09723	6.8
215.03987	8.4
221.05052	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	205.195
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
50.59761	0.6
53.03938	1.1
55.05510	8.8
56.96570	0.7
57.07067	10.4
65.03936	6.0
67.05499	7.9
69.03403	1.2
69.06724	0.9
69.07065	14.7
71.08617	0.8
72.93778	1.8
77.03928	0.6
79.05486	8.8
81.03427	0.8
81.07048	26.0
83.08617	6.9
84.04490	1.0
85.02894	1.5
91.05463	4.7
93.03389	2.4
93.07033	32.9
95.04951	1.6
95.08596	21.1
97.02872	1.2
97.10163	3.8
98.21503	1.8
105.07033	3.7
107.04982	0.7
107.08582	30.6
109.02845	1.5
109.10146	17.2
111.04424	2.3
111.11697	1.5
113.96391	2.9
119.08588	2.0
121.02862	15.2
121.03938	1.7
121.06487	1.5
121.10130	42.2
122.10457	0.9
123.08077	0.6
123.11700	9.5
127.05800	0.7
131.08524	1.9
131.97455	3.8
135.08076	1.1
135.11678	17.9
137.13232	0.8
145.06470	0.7
145.10141	1.4
147.11728	0.8
149.02328	100.0
149.13245	32.4
150.02664	3.4
150.13519	0.8
150.77039	0.7
154.99107	0.8
163.14825	3.1
167.03368	2.7
187.11107	1.0
190.04977	1.2
191.14301	7.2
205.08765	1.1
205.12228	2.3
205.14211	1.4
205.15997	1.4
205.19493	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	205.195
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
53.03941	1.6
53.08127	1.1
55.05261	1.7
55.05508	20.2
56.96568	22.4
57.07076	9.6
57.99756	1.1
58.10769	1.2
65.03927	2.1
67.05505	18.3
69.07066	32.5
70.98115	7.8
71.08620	3.1
71.59105	1.8
72.93781	2.3
74.97630	1.4
79.05054	1.8
79.05490	21.2
81.03426	1.9
81.07056	62.9
82.07418	1.8
83.08600	10.9
85.02879	2.0
88.99153	5.1
91.05470	14.2
93.07040	66.2
95.04977	3.6
95.08603	47.5
95.09220	1.8
97.02867	4.4
97.10168	7.9
98.03226	1.7
101.62328	1.2
105.07035	14.9
107.00176	1.3
107.04932	2.8
107.07859	3.0
107.08587	60.4
109.06515	1.7
109.10151	35.6
111.11709	2.7
113.96366	4.4
117.07041	2.1
119.08582	6.0
121.02885	6.3
121.03772	1.2
121.06516	3.7
121.10137	100.0
122.10515	1.3
123.08035	1.7
123.11705	14.9
127.05904	1.9
131.08598	1.8
131.97408	7.2
133.10104	5.8
135.08093	1.7
135.11694	33.9
137.13278	1.8
145.10103	2.0
146.53938	1.1
147.08051	1.3
147.11668	3.2
149.02336	48.3
149.13246	59.4
150.02699	1.2
154.99043	2.3
159.11694	2.1
160.01472	1.6
163.11264	1.6
163.14793	6.3
167.03389	1.6
174.09802	1.7
183.10355	6.3
187.14700	1.3
192.10883	3.1
194.61070	1.3
196.57191	1.4
196.68678	1.4
205.12247	3.1
205.14127	2.2
205.15924	3.3
205.19504	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	205.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.4
53.03944	3.5
55.01856	0.8
56.96558	0.5
57.07067	0.6
60.04511	0.5
61.38781	0.4
62.87561	0.3
67.35821	0.3
68.95712	0.4
69.03420	0.5
69.07043	0.4
69.86884	0.9
69.87305	1.3
70.16602	0.3
70.70567	0.3
71.59348	0.3
77.03922	0.7
78.04662	0.4
79.05485	1.2
81.03408	0.8
83.04930	0.6
85.06524	0.7
91.04893	0.7
91.05471	17.4
93.07035	63.2
94.07375	0.4
95.04964	7.3
103.05457	3.9
105.04512	1.2
105.07020	1.8
107.04974	0.5
107.08580	1.1
109.06493	0.4
117.06991	1.3
118.06528	0.5
119.08578	1.3
120.08073	0.4
121.06493	100.0
122.06835	0.5
127.07584	0.6
129.07013	0.7
131.08565	1.3
133.10138	0.5
135.08046	1.1
135.11671	0.7
144.09325	1.2
145.10118	1.1
146.06044	0.4
147.08066	0.5
149.02350	1.4
149.05978	0.4
149.13322	0.5
159.11688	3.4
160.12527	0.4
163.11163	0.9
177.12691	1.6
187.11143	1.1
188.07042	0.5
205.12228	12.8
205.14186	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1222
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
51.02385	0.3
53.03943	3.2
55.01862	0.5
55.05492	0.4
57.07070	0.5
59.04994	0.2
60.04514	0.4
65.03932	0.3
67.05499	0.4
68.99802	0.2
69.03420	0.7
69.07052	0.6
77.03928	0.7
79.05479	0.9
81.03403	0.3
81.07047	0.5
83.04966	0.9
85.06528	0.6
91.05473	16.9
93.07034	62.2
94.07339	0.3
94.10597	0.2
95.04961	7.2
98.20756	0.8
98.97561	0.3
103.05445	3.0
104.98312	0.3
105.04487	1.4
105.07046	1.4
107.04911	0.4
107.08571	1.0
115.05456	0.2
117.07004	1.0
118.06535	0.4
119.08547	1.3
121.06493	100.0
122.06789	1.2
127.07504	0.3
129.06978	0.6
130.07761	0.3
131.08546	0.9
133.10056	0.3
134.09666	0.6
135.08008	0.8
135.11676	0.5
144.09311	0.9
145.06438	0.4
145.10107	0.8
146.05975	0.6
147.08003	0.3
149.02342	0.5
157.10120	0.4
159.02946	0.5
159.11674	2.3
163.11143	0.9
172.08838	0.5
177.12727	1.1
187.11176	0.6
188.07074	0.3
205.03496	0.7
205.12218	10.2
206.11763	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38471	0.3
53.03935	0.6
55.01868	0.5
55.05507	3.6
56.96558	2.1
57.03423	0.5
57.07075	0.5
60.04525	0.4
66.83386	0.3
67.05490	0.9
69.03444	0.6
69.07030	0.6
69.71973	1.1
69.72372	0.7
70.11910	0.3
70.42914	0.3
72.93784	0.4
75.18584	0.3
79.05481	1.5
81.03455	0.3
81.07053	0.6
83.08610	2.6
85.02916	0.4
85.04845	0.3
91.05475	1.8
93.07034	1.9
95.04964	1.2
95.08605	0.4
97.02866	0.5
98.03217	0.5
98.21410	0.5
103.05482	1.6
105.07037	1.2
107.04945	100.0
107.08595	0.8
108.05247	0.7
109.06540	0.3
113.96407	0.6
115.05430	0.6
117.07014	3.0
119.08595	0.3
121.02859	0.5
121.06493	6.1
121.10191	0.6
131.04932	1.5
131.08580	0.9
131.97456	0.7
133.06474	3.5
133.10078	0.4
135.04416	1.2
135.08044	0.6
144.05669	0.7
145.06471	37.7
147.08028	1.0
149.01324	0.3
149.02315	2.0
149.05974	4.5
155.06027	1.3
158.07262	0.6
159.08044	3.2
159.11685	0.9
161.09615	3.7
163.02785	0.4
163.07657	0.3
163.11182	0.9
175.11192	0.8
181.97939	0.4
184.58072	0.4
187.11165	9.1
205.12222	47.1
206.12616	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1221
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
53.03945	0.7
55.01866	0.5
55.05300	0.3
55.05511	3.7
56.96556	1.6
57.03438	0.5
57.07064	0.4
65.03912	0.3
67.05495	0.9
67.68026	0.3
69.03436	0.4
69.07053	0.5
70.84927	0.8
70.85294	0.3
71.04999	0.4
79.05483	1.1
81.07030	0.5
83.08621	2.4
84.15934	0.2
86.63203	0.3
87.75021	0.2
91.05470	1.9
93.07020	2.0
93.10096	0.3
95.04958	1.6
95.08595	0.6
96.05891	0.3
103.04846	0.3
103.05457	1.3
105.07014	0.9
107.04946	100.0
107.08566	0.9
107.52878	0.3
108.05272	0.7
112.04173	0.3
113.96371	0.6
115.05409	0.5
117.07005	3.5
117.12982	0.3
119.04987	0.3
119.08571	0.5
121.02860	0.9
121.06492	5.9
121.10140	0.4
131.04913	0.9
131.08568	1.0
131.97417	0.6
133.06468	2.8
133.10013	0.4
135.04401	1.0
135.05519	0.3
135.08031	0.8
144.05692	0.8
145.06471	38.2
146.07155	0.5
147.08017	1.0
148.05196	0.4
149.02312	1.5
149.05977	5.0
155.06027	1.4
158.07237	0.6
159.08066	2.9
159.11679	1.0
161.09637	3.7
163.11165	0.8
172.08920	0.3
175.08742	0.4
175.11160	0.6
177.12796	0.6
187.11166	8.8
205.12222	47.7
206.12592	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.097
Annotation	Tryptophan
Peak:m/z	Relative Intensity
56.96549	0.6
57.07049	0.2
60.04519	1.7
61.04842	0.3
63.27319	0.2
65.03938	0.2
67.05473	0.2
70.97625	0.6
72.08130	0.5
72.93771	0.2
74.02427	0.6
78.95249	0.5
80.04974	0.2
81.03415	0.2
85.02893	0.4
85.04840	0.3
88.03978	1.2
91.05460	0.9
93.06992	0.2
96.04551	0.2
97.02872	0.3
103.05482	0.3
103.95416	0.2
105.07015	2.8
107.04932	0.7
115.05433	7.7
116.98606	0.3
117.05762	3.7
117.06596	0.3
117.06989	0.5
118.06552	1.6
119.04942	0.3
119.07313	14.0
119.97873	0.7
121.02849	0.2
121.06453	0.4
122.94234	0.2
127.05846	0.3
130.06552	1.0
131.04852	0.3
132.08080	28.1
133.06517	0.3
133.08443	0.5
134.05997	0.6
134.99657	0.2
142.06500	7.1
144.10187	0.3
145.10104	0.2
146.05966	0.7
149.02338	1.7
158.96342	0.3
159.09160	100.0
160.07544	1.2
160.09502	1.8
162.05501	0.3
163.11218	0.4
163.96892	0.2
164.07057	0.3
170.05948	0.3
170.08133	0.2
178.04948	0.3
181.97885	0.8
196.83322	0.2
200.98535	0.4
205.06746	0.4
205.09737	6.8
205.11996	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1223
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
51.36940	0.4
53.03947	1.0
55.05505	4.7
56.96570	4.7
57.07072	1.9
60.04519	1.9
61.04841	0.5
64.38649	0.5
65.03904	1.0
67.05495	3.6
69.03431	1.1
69.07061	1.6
71.04990	1.6
72.93785	1.0
79.05488	3.6
80.03470	0.5
81.03400	1.6
81.07039	3.2
83.04956	0.9
83.08607	3.1
84.04513	0.8
85.02901	1.5
85.04825	0.8
89.03923	1.2
90.04263	1.5
91.05479	8.2
93.07035	6.9
95.04984	2.9
95.08610	2.2
97.02901	1.8
97.06528	0.7
99.04474	0.6
103.05444	1.7
105.07028	14.1
107.04950	100.0
107.08589	4.7
109.02859	0.8
109.06521	1.4
109.10155	1.0
111.04449	0.6
113.96396	1.4
115.05455	1.9
116.04974	2.0
117.05327	4.2
117.06165	0.7
117.07015	10.8
118.06554	0.7
119.08565	4.5
119.97844	0.9
121.02857	2.0
121.06504	10.3
121.10134	3.6
122.96407	0.7
123.11728	0.9
128.06221	1.2
129.07011	3.7
130.07794	5.6
131.04947	1.2
131.08562	9.0
131.97475	2.6
133.06487	3.4
133.10132	1.8
135.04411	1.2
135.08051	2.4
135.11691	2.3
143.08578	3.0
144.04448	1.4
144.05687	1.6
144.09341	5.0
145.04825	6.3
145.06477	36.5
145.10117	57.7
146.05954	1.5
146.07166	1.0
146.10809	0.7
147.08031	2.1
147.11664	1.8
149.02350	11.1
149.05971	5.2
149.09590	0.8
149.13243	1.2
154.07846	0.5
155.06012	1.4
157.10124	1.4
158.07237	1.0
159.08025	3.4
159.11684	24.5
161.09625	4.6
161.13281	0.9
162.05426	0.7
163.02722	0.5
163.05830	1.5
163.07518	1.2
163.11171	4.2
169.10194	0.7
172.03952	2.2
172.08849	1.1
173.04286	18.8
173.05779	1.3
175.07350	0.6
177.09149	0.9
177.12764	2.0
181.97803	0.8
187.11163	11.1
187.14819	1.7
188.07043	1.2
205.06964	8.3
205.12228	75.8
205.15852	3.0
206.12492	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83499	0.4
54.59648	0.4
55.40484	0.4
70.06535	0.4
71.18127	0.8
74.02439	1.4
82.70884	0.5
91.05475	1.9
115.05456	3.0
117.05746	1.5
117.07023	2.5
118.06541	41.5
119.06926	0.8
130.06532	3.1
132.08096	10.1
142.06511	4.0
143.07324	6.1
144.04425	0.7
144.08084	22.2
146.06006	100.0
147.06334	1.9
159.09187	10.0
160.07555	1.3
170.05998	8.5
188.07063	90.9
189.07404	1.7
205.09698	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.097
Annotation	Unknow
Peak:m/z	Relative Intensity
70.62325	1.9
74.02442	1.8
91.05468	2.3
94.78465	0.5
96.99009	0.6
115.05455	3.8
117.05741	1.8
117.06979	2.7
118.06530	55.8
130.06485	3.4
132.08081	13.3
142.06491	4.4
143.07298	8.2
144.04442	0.8
144.08064	25.8
145.06514	0.5
146.05995	100.0
147.06343	1.8
159.07961	0.8
159.09169	9.5
160.07553	2.0
168.66902	0.6
170.06006	8.4
188.07048	81.5
189.07355	1.8
205.09692	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0971
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
70.65084	1.5
70.65472	1.9
71.86248	0.5
74.02425	1.9
91.05495	1.9
102.89285	0.6
115.05460	2.7
117.05719	1.5
117.07036	2.1
118.06539	43.1
130.06506	3.1
132.08076	10.5
142.06529	5.7
143.07303	6.3
144.04428	1.0
144.07202	0.4
144.08080	21.3
146.06003	100.0
147.06372	1.3
150.66545	0.7
159.09164	9.5
160.07527	1.5
170.05998	7.6
188.07054	89.7
189.07420	1.1
205.09824	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.2
55.05505	0.6
56.05036	11.9
57.07055	1.1
58.06578	0.8
58.99588	15.0
60.04525	5.0
61.02917	0.5
61.04858	1.9
65.03934	0.6
68.05029	2.9
69.03435	0.5
69.05360	1.8
69.05785	0.9
69.14403	0.4
70.02962	0.5
70.06578	0.6
70.50378	0.4
70.75646	1.1
72.08152	0.8
73.01154	0.6
73.08463	0.5
74.02440	1.7
74.06075	1.2
75.02704	1.7
76.02225	5.3
76.04002	3.1
81.03402	0.5
84.04510	3.4
85.01128	83.1
85.04834	1.2
86.01467	1.5
86.03240	0.5
86.99054	4.2
87.02693	1.3
88.02230	2.0
93.07072	0.4
96.04494	1.5
97.02912	1.9
97.04832	2.2
98.03225	1.9
102.03767	100.0
102.05540	47.8
103.04157	0.9
108.04481	1.1
110.06005	0.4
111.06462	0.4
112.03957	1.1
113.11583	0.5
114.05544	1.7
115.05856	1.4
116.01677	17.6
116.02496	0.9
126.05551	0.7
127.05898	2.0
142.03217	0.6
144.01131	3.7
149.02332	4.7
159.05920	0.6
162.02184	3.8
163.96872	0.4
169.06845	1.1
188.03763	8.5
205.06424	10.8
205.08954	1.8
205.15929	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.05507	100.0
56.05839	0.6
56.96558	0.8
57.07064	0.4
58.99585	8.1
60.04524	1.0
61.04871	0.4
69.03423	0.6
70.23480	1.6
83.08612	71.2
84.08947	0.7
85.02896	0.5
86.99055	6.2
91.05476	0.4
93.07032	1.0
97.02867	0.7
98.97585	0.8
101.09655	2.1
105.00089	4.6
105.07024	0.8
106.70963	0.4
107.04936	0.4
107.08640	0.5
116.98565	0.4
117.06997	0.4
118.06539	1.0
121.02821	0.4
121.06506	1.5
144.09227	0.5
145.06458	0.4
145.10081	0.6
146.05978	2.1
149.02307	2.3
159.11647	0.7
161.09532	0.5
163.11098	0.5
167.51566	0.4
177.12692	0.4
187.11125	0.7
188.07007	1.6
195.89728	0.5
205.08748	0.7
205.12149	1.4
205.13933	0.4
215.99295	0.4
221.53221	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08053	0.3
55.01859	0.7
55.05511	0.6
56.05035	12.3
56.96566	1.0
57.07081	1.8
57.98786	0.6
58.06601	0.7
58.99586	13.2
60.04522	2.5
61.01154	0.4
61.04864	0.7
61.84187	0.3
65.03939	1.0
67.05507	1.0
68.05025	2.8
69.03411	0.6
69.05391	0.3
69.05801	1.2
69.07064	0.5
70.02953	0.8
70.16117	1.5
71.06126	0.3
72.08151	0.6
72.86884	0.3
73.01138	0.9
74.02442	1.6
74.06075	1.0
75.02696	1.7
76.02229	5.3
76.04002	2.5
79.05493	1.0
81.07063	1.0
83.40253	0.3
84.04494	2.8
84.08131	0.9
85.01128	87.7
85.04845	0.8
86.01469	0.8
86.99046	5.0
87.02689	1.4
88.02213	2.0
89.77695	0.3
90.59914	0.3
91.05464	1.6
93.03413	0.4
93.07038	1.3
95.04967	0.9
95.08607	0.5
96.04499	0.7
97.02901	1.2
97.04825	0.7
98.03214	0.9
102.03765	100.0
102.05537	49.2
103.04114	0.7
103.05859	0.6
105.07021	1.4
107.04944	1.2
107.08588	0.6
108.04465	0.3
109.10121	0.4
110.06020	0.3
111.04478	0.4
112.03970	1.4
114.05547	0.4
115.05873	1.0
116.01675	18.3
117.07036	0.8
117.27939	0.4
119.08618	0.8
121.02882	2.9
121.06512	1.3
121.10143	0.6
126.05542	1.0
127.05889	1.5
130.03146	0.4
131.08553	1.0
133.06505	0.4
134.99738	0.3
144.01129	3.2
145.06482	0.4
145.10132	1.8
146.06006	1.2
147.08022	0.6
149.02336	11.8
149.13239	0.3
159.05879	0.9
159.08022	0.8
159.11699	1.1
162.02194	4.3
163.02724	0.4
163.11234	0.6
163.96860	0.4
169.06841	0.7
175.07587	0.5
187.07809	0.4
187.11214	0.5
187.14857	0.4
188.03764	7.5
188.07034	0.6
205.06427	10.1
205.08784	2.0
205.12230	1.2
205.14116	0.8
205.15799	1.9
206.08311	0.4
206.11536	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0868
Annotation	N-(methoxyacetyl)-4-hydroxyproline
Peak:m/z	Relative Intensity
53.03941	2.2
55.01872	1.5
55.05502	1.9
56.05030	3.5
57.03424	3.6
57.38921	1.0
58.06578	1.4
60.04527	100.0
61.02929	11.3
68.05028	48.8
69.03428	7.3
70.06577	2.8
70.94452	2.0
70.94783	2.0
71.01347	1.2
71.04991	3.5
71.06922	1.3
72.04508	6.6
72.08157	6.8
73.02939	2.0
73.08478	3.0
74.58380	1.1
80.05016	1.3
81.03412	4.1
82.06580	1.6
83.01328	1.6
83.04988	1.6
84.04506	32.7
84.08144	5.7
85.02908	15.3
85.24430	1.3
86.09687	1.5
91.03960	1.7
93.03410	1.4
96.04492	78.2
96.96300	1.0
97.02893	73.8
98.03204	1.4
98.06048	7.6
98.09683	2.9
99.04469	5.7
99.10045	1.4
100.03992	2.0
102.05549	1.5
108.04514	1.6
109.02901	2.6
110.06049	19.9
110.07189	1.7
112.11240	2.6
113.11583	4.4
114.05530	58.3
115.03931	1.2
115.12305	2.0
116.12689	1.6
122.06041	2.7
124.03931	1.3
126.05518	51.4
127.03931	4.3
129.10252	1.5
138.05519	14.2
144.06535	3.1
145.04997	2.2
150.05505	2.6
156.06531	7.9
156.07607	1.3
158.06065	1.1
168.06555	16.4
181.97914	1.3
186.07590	6.8
204.08684	38.6
204.13651	2.8
204.22632	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	204.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09814	0.9
55.01870	5.7
55.05500	2.5
56.05005	1.1
56.96295	1.0
56.96560	16.4
57.03432	16.6
57.03704	2.1
59.09552	1.1
60.04519	5.7
61.02919	12.9
63.92919	3.5
63.93240	1.0
67.05479	1.5
68.05012	4.4
69.03422	14.8
69.79239	3.0
69.79651	4.1
70.06584	6.5
71.01339	1.6
71.04987	30.3
71.06110	15.9
71.86999	1.2
72.04499	1.2
73.02912	35.3
74.06090	1.8
74.97594	2.4
75.94025	1.1
77.00893	3.2
78.95271	8.5
81.03409	7.6
81.94012	1.2
82.06566	2.0
84.04496	9.9
84.08131	6.8
85.02417	2.2
85.02896	28.0
86.03689	2.3
87.04484	2.4
88.02635	1.4
88.07600	1.8
88.08740	5.2
90.02420	1.0
93.01835	1.7
94.02636	2.2
95.01920	1.5
96.04516	5.6
97.02283	2.0
97.02882	32.3
98.03202	1.3
98.06028	1.8
98.20737	2.1
98.97565	14.9
99.04425	4.1
100.02587	1.7
101.00856	8.0
102.00966	2.7
102.02383	4.6
102.52465	1.6
103.00620	1.8
103.03146	1.7
103.03894	1.2
104.98676	1.1
105.98671	1.3
107.03410	1.4
107.04919	1.4
108.02398	2.6
109.02889	3.6
110.05999	2.9
111.02924	7.6
113.00880	2.3
114.00813	1.1
114.02372	1.9
114.05523	5.8
114.09208	1.3
115.02404	2.6
115.03177	1.3
116.07067	1.2
116.98619	15.5
117.02884	1.3
117.05482	2.9
117.71068	1.0
118.03658	1.5
119.01917	32.6
119.97870	10.6
120.01994	22.2
120.03358	1.9
121.01655	14.6
121.03061	1.7
122.02072	1.5
122.51396	1.1
122.94183	5.3
123.02871	4.7
123.52965	1.1
126.05487	7.9
127.03923	7.4
128.02243	1.3
128.07115	1.6
128.98621	1.3
129.02887	2.8
129.03941	3.2
130.03654	1.3
131.01907	15.3
131.51900	1.5
132.01868	3.9
132.03401	3.5
133.01608	2.6
133.03415	6.6
134.03491	1.3
134.08124	9.4
134.99626	10.2
135.02940	2.4
135.52974	1.4
136.03685	2.3
137.02928	7.6
137.51898	1.2
138.01891	1.5
138.03207	5.0
138.05505	7.1
139.02562	2.2
140.07036	1.2
140.95222	2.1
141.03943	3.1
141.10255	3.7
142.08612	1.4
143.01906	11.6
143.52007	1.4
144.02010	8.2
144.03401	4.2
144.06577	1.6
145.01617	2.7
145.03433	9.3
146.03568	1.8
147.03929	4.9
149.02934	4.3
150.03130	1.4
150.99153	1.3
153.03918	3.8
154.03439	2.6
155.01859	8.5
157.01566	1.6
157.03473	8.9
158.12877	50.9
158.96303	6.7
161.02924	25.7
162.03070	34.3
162.04485	1.0
163.02722	10.6
163.04567	2.0
163.96825	8.8
167.01971	2.2
168.06599	1.3
169.00102	1.5
169.03424	2.4
170.08174	1.4
172.04565	1.9
173.02942	24.4
174.03084	3.7
174.04556	2.4
174.98970	1.0
175.02742	3.6
175.04568	3.5
176.04842	1.7
180.04158	1.5
181.00134	2.1
181.97865	15.5
183.04993	6.1
183.55173	1.5
185.02953	15.1
185.04582	2.0
186.03178	2.1
187.02756	2.2
187.04466	3.7
189.02399	1.3
191.04002	3.3
192.05540	5.3
192.55702	1.2
193.00203	2.9
197.02927	1.6
199.01201	3.4
201.06078	3.7
201.56267	1.2
203.03973	9.3
204.04178	3.0
204.08716	7.3
204.13432	100.0
205.05606	2.8
205.13705	2.0
215.00488	1.2
215.04111	1.6
221.05063	12.2
222.05293	3.0
223.04738	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.5
56.05023	2.5
56.06882	1.3
57.24965	1.4
58.06586	3.3
58.49182	1.6
60.04527	100.0
61.02919	6.4
68.05029	30.7
69.03432	5.5
69.91074	7.9
70.06584	2.5
71.01333	1.6
72.04517	4.8
72.08157	20.7
73.08485	8.2
80.54622	1.4
81.03407	2.4
83.15347	1.8
84.04504	22.5
84.08134	5.3
85.02905	11.3
85.08484	2.8
96.04489	53.3
97.02895	53.0
98.06041	6.4
98.09685	10.3
98.20780	1.8
98.76091	1.8
99.04449	4.4
99.10018	8.8
100.04014	3.1
109.02888	2.8
110.06046	16.2
112.11256	8.6
113.11578	12.4
114.05531	39.3
115.12322	3.3
116.12682	7.0
122.06004	4.3
124.03913	1.8
126.05516	39.8
127.03941	3.2
133.15367	2.2
133.86784	1.5
138.05513	10.3
139.01083	1.3
140.07150	2.0
144.06526	3.1
145.04951	1.9
149.02353	2.7
150.05507	1.6
154.65913	1.5
156.06511	7.0
158.11757	1.7
159.09186	3.4
168.06566	15.5
186.07655	4.8
187.19933	1.4
204.08685	33.7
204.13773	2.9
204.22710	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	203.2231
Annotation	Thermospermine
Peak:m/z	Relative Intensity
56.05035	1.2
56.96575	0.9
58.06597	11.4
60.04524	9.5
61.02920	1.1
68.05035	3.8
69.03426	1.5
69.07070	0.9
70.06592	45.4
70.34680	0.6
71.05015	2.6
71.06113	11.1
71.06926	0.8
71.49320	1.1
72.04523	0.9
72.08154	100.0
73.02895	0.8
73.08495	1.1
74.02425	0.7
75.09251	1.6
75.35931	0.6
76.15617	0.5
79.26678	0.5
81.03419	1.2
83.69303	0.6
84.04507	3.4
84.08144	29.5
85.02914	1.9
85.08504	0.8
86.09708	7.9
88.08754	15.8
91.38325	0.5
92.40407	0.6
96.04486	6.6
97.02898	5.5
98.06068	1.0
98.09692	45.0
98.97583	0.9
99.04458	0.7
99.10056	1.2
101.00865	1.6
106.64281	0.5
109.37177	0.6
110.06062	2.0
110.33675	0.5
112.11243	72.8
113.11601	1.7
114.05532	5.9
115.08694	1.6
115.12328	36.0
116.07099	16.2
116.07926	0.6
119.01923	7.1
126.05515	5.5
126.19802	0.6
129.10295	0.7
129.13879	13.7
130.08691	0.8
131.01945	0.8
132.14969	23.2
133.03499	0.9
133.09721	1.2
137.02965	1.6
138.05493	1.5
143.01938	2.2
143.08177	0.6
144.06648	0.8
145.03462	1.0
153.74367	0.5
155.01944	0.7
156.06560	1.4
157.03476	0.6
158.09256	2.3
158.11629	0.6
158.12903	11.2
161.02948	6.8
162.03082	0.7
163.04448	0.8
168.06577	2.2
172.10834	1.1
173.03001	1.1
174.15819	0.6
174.98558	0.6
186.07584	1.2
186.19641	7.4
191.04010	1.6
203.00058	0.7
203.05367	3.5
203.15054	22.6
203.22321	29.3
204.08707	4.8
204.13437	6.2
204.15225	0.8
204.22556	0.9
221.05095	4.3
223.08000	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1793
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03936	1.8
53.76746	0.6
55.01851	0.9
55.05507	13.0
56.96570	7.4
57.03418	1.2
57.07073	7.3
58.07376	1.0
60.04524	10.3
62.06077	1.4
65.03950	1.1
67.05499	27.1
68.05016	2.6
69.03422	0.8
69.07066	26.8
71.04991	0.9
71.08623	1.0
74.13737	0.7
79.05485	11.2
79.94567	0.7
81.07050	37.5
82.13209	0.7
83.04980	0.8
83.08613	8.1
84.04501	5.1
85.02900	1.3
85.98737	0.7
87.15675	0.7
91.05472	18.1
93.07041	20.6
95.04936	3.0
95.08601	64.0
96.04481	3.0
96.08971	0.8
97.02860	3.9
97.10150	2.2
98.06042	0.9
98.21528	1.8
100.02474	1.7
103.05453	2.0
105.07025	63.7
106.07346	1.4
107.04956	1.3
107.08588	28.0
109.06486	1.7
109.10149	46.9
114.05512	3.2
115.05414	1.4
117.06987	3.8
118.03547	1.7
119.08571	69.7
120.96502	3.5
121.02857	0.8
121.06494	1.5
121.10135	25.9
123.11704	7.4
126.05513	8.0
128.06186	0.9
129.06963	2.2
131.08572	6.0
133.06479	1.1
133.10124	53.4
135.11688	7.7
135.98853	1.3
138.05458	1.7
142.07773	1.4
143.08563	2.6
144.04366	1.0
144.06508	1.5
145.10117	12.2
147.11676	74.8
148.12276	1.5
149.01176	1.1
151.05165	0.9
156.96225	1.3
157.06464	1.0
157.10091	2.4
159.11687	5.3
160.12462	6.3
161.09610	2.6
161.13252	31.4
172.03902	1.8
173.13220	1.8
174.07922	0.9
174.13965	0.9
175.11237	1.1
175.14825	8.7
179.97873	2.8
183.08627	1.2
185.13264	2.8
185.20897	1.9
188.08424	1.0
188.15643	1.0
191.84396	0.8
192.09085	1.2
197.99118	1.2
203.10629	3.4
203.14375	14.0
203.17947	100.0
203.21964	18.9
204.06779	1.3
204.08551	3.7
204.13766	4.0
204.18233	2.3
213.04263	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.9
55.05514	1.0
56.05042	1.6
57.03432	1.4
58.06603	12.3
60.04527	40.4
61.02930	2.6
68.05034	11.5
69.03443	2.1
70.06598	13.8
71.04999	1.5
71.06123	0.7
71.12438	1.5
71.81888	0.7
72.04529	1.3
72.08159	100.0
73.08491	1.5
75.09236	1.6
80.05021	0.8
81.03409	2.0
84.04509	8.7
84.08150	30.1
85.02911	5.0
85.08484	0.8
86.09707	1.3
96.04501	20.3
97.02903	18.4
98.06056	2.2
98.09695	47.0
99.04449	2.3
100.03997	0.8
100.37711	0.7
110.06085	4.8
112.11250	72.9
113.11613	0.8
114.05529	12.8
115.12334	35.2
116.07093	1.8
122.06042	1.1
124.03928	1.0
126.05537	14.0
127.03928	1.8
129.13885	13.1
132.14975	20.3
137.36591	0.8
138.05553	3.9
138.06456	0.7
144.06563	1.1
145.05006	1.0
156.06541	1.8
168.06538	3.6
186.07626	2.5
186.19673	6.9
192.84889	0.7
203.05275	5.0
203.15027	1.0
203.22330	27.5
204.08687	10.7
204.22682	0.8
216.66614	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1793
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03930	1.3
53.21161	0.8
55.05301	1.1
55.05508	10.9
56.96542	1.4
57.07057	2.7
58.25514	0.8
60.04507	2.9
62.86423	0.9
65.03922	1.4
67.05499	30.7
68.05006	1.1
69.07066	15.9
69.46155	8.5
71.08617	1.3
73.64514	1.0
79.05486	9.1
81.07052	48.9
83.08617	4.7
83.09041	0.9
84.04488	1.6
85.38210	0.9
90.40032	0.8
91.05468	19.2
91.18776	1.0
93.06460	1.7
93.07036	22.0
95.04955	1.6
95.08598	79.6
96.04465	1.4
96.08904	1.0
97.10162	2.9
98.21471	1.7
105.07023	65.1
107.08586	35.6
109.06494	1.5
109.10148	68.6
117.06983	2.4
119.08572	58.8
120.96494	1.6
121.10146	21.6
122.83083	0.9
123.11706	10.8
126.05501	2.7
131.08551	3.9
133.10118	41.4
135.11699	8.0
145.10129	7.1
147.11676	72.4
159.11639	3.6
160.12502	2.3
161.13237	23.6
162.13596	0.9
175.14799	13.7
183.08487	1.3
201.29919	0.9
203.14293	4.2
203.17937	100.0
204.08722	1.4
204.13750	1.7
204.18338	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	203.1793
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03937	1.7
55.05503	14.2
57.07062	1.7
57.79246	1.2
60.04513	1.6
63.91075	1.2
67.05168	2.0
67.05500	33.9
67.99649	1.1
68.05815	1.3
69.07063	23.2
79.05479	11.3
79.11790	1.1
80.77918	1.2
81.07050	56.1
83.08603	8.6
87.63033	1.1
91.05468	16.3
93.07036	23.4
95.04940	1.2
95.08598	78.5
97.10133	2.8
105.07024	75.8
106.07307	1.5
107.08583	29.6
109.10146	80.3
116.82069	1.3
117.07029	3.6
119.08571	75.7
121.10126	24.5
123.11701	10.0
131.08569	6.1
132.09335	1.3
133.09114	1.9
133.10118	51.9
135.11656	8.5
145.10095	7.7
147.11674	81.1
159.11661	3.3
160.12474	3.4
161.13251	29.8
172.03859	1.6
175.14816	10.2
203.17938	100.0
204.18307	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1793
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
50.27322	0.9
53.03922	1.8
55.05505	14.6
56.96543	2.1
57.07058	4.1
60.04502	4.5
62.41997	0.9
67.05497	38.6
69.06718	1.5
69.07063	22.7
70.13589	5.4
79.05122	1.1
79.05483	12.2
81.07047	52.7
81.70132	1.0
83.08627	6.3
84.04491	2.7
91.05471	16.2
92.99131	1.0
93.07038	20.4
95.04950	1.6
95.08598	81.5
97.10155	1.6
98.20830	1.8
100.12355	1.1
105.07021	68.7
107.08587	30.1
109.06506	2.0
109.10145	83.3
110.10480	1.6
114.05523	1.2
117.06988	4.1
119.08569	66.6
120.08841	1.3
120.96497	2.4
121.10124	24.3
123.11710	9.7
126.05479	3.0
129.07056	2.2
131.08537	4.3
133.06395	1.3
133.10115	46.7
135.11690	9.6
142.07831	1.0
145.10130	9.1
147.11673	87.8
148.12131	1.8
156.43546	1.1
157.10048	1.2
158.97618	1.1
159.11693	3.4
160.12462	4.0
161.11958	1.8
161.13248	24.4
162.13622	1.2
172.03891	2.9
175.14810	10.3
178.88838	1.0
179.97792	2.0
203.06982	1.2
203.10628	2.0
203.14316	4.7
203.17938	100.0
204.06728	1.3
204.08617	2.6
204.13847	1.8
204.18300	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
52.36879	1.2
53.03937	2.5
55.05507	20.1
56.96559	2.9
57.07057	5.5
60.04512	4.5
67.05499	26.6
69.07066	37.0
71.55680	2.4
72.76463	1.3
76.22013	1.2
79.05489	13.6
81.07054	66.2
83.08618	14.6
84.04494	2.7
91.05474	23.9
93.07037	27.5
95.08606	60.3
96.04436	1.4
97.10145	2.3
105.07027	85.9
107.08589	36.8
109.06507	2.6
109.09454	2.6
109.10155	40.6
114.05535	1.9
117.06997	6.1
119.08576	82.4
121.06490	3.5
121.10134	23.8
123.08047	2.3
123.11709	16.6
126.05504	3.9
128.06178	1.4
129.07004	3.6
131.08534	8.2
133.06628	1.4
133.10129	65.3
135.11668	12.8
143.08533	3.5
145.10110	16.6
146.10886	1.8
147.11687	93.6
148.12354	2.6
157.10115	1.7
159.11703	6.1
160.12457	8.3
161.13248	30.5
162.05492	1.5
172.03914	5.6
173.13225	1.8
174.14122	1.8
175.14783	7.6
185.13217	3.5
203.10660	2.2
203.14322	68.7
203.17944	100.0
204.06645	1.8
204.08572	1.4
204.14667	1.7
204.18250	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	203.1793
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
51.02376	0.9
53.03930	1.1
55.01857	1.0
55.05508	11.0
55.31655	0.8
56.05034	1.6
56.96563	1.4
57.07067	5.0
60.04519	6.5
61.02906	1.2
65.03921	1.1
67.05166	1.4
67.05504	17.7
67.88818	0.8
68.05014	2.7
69.03431	1.0
69.07061	14.6
69.90567	3.7
69.90978	1.9
75.65881	1.0
75.84238	0.9
79.05489	9.2
80.05023	0.9
81.07053	29.5
83.08610	4.2
84.04489	8.4
85.02902	2.6
88.74233	1.0
91.04953	1.7
91.05472	19.1
93.07040	16.1
95.04939	1.3
95.08602	46.6
96.04459	2.5
97.02874	4.1
97.03425	0.8
97.10152	1.3
98.05979	1.2
103.05445	1.9
105.07024	100.0
106.07355	1.9
107.08585	23.6
109.06537	1.1
109.10148	31.0
114.05518	4.0
115.05486	0.9
117.07004	3.0
119.08568	49.9
119.30305	0.9
121.06523	1.2
121.10138	19.1
123.11697	6.3
126.05519	9.6
128.06175	1.1
131.08572	4.8
133.10120	45.3
135.11684	4.3
138.05450	1.2
142.07773	1.2
144.06544	2.2
145.09082	1.2
145.10086	6.0
147.11676	72.3
157.10161	1.2
159.11696	4.0
160.12477	2.9
161.09633	1.5
161.11954	1.9
161.13245	23.6
170.50511	0.9
173.13187	1.2
174.14142	1.2
175.14810	10.2
185.09674	1.4
185.13237	1.2
186.07487	1.0
203.10693	2.9
203.14531	5.9
203.17944	75.2
204.08647	3.3
204.13756	7.3
204.18228	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1793
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
53.03932	2.5
55.05502	10.0
56.96556	2.0
57.07071	6.7
59.12736	1.1
60.04520	6.2
61.02917	1.4
67.05503	18.7
68.05009	2.6
69.03399	1.7
69.07066	15.1
71.59295	1.4
77.68219	1.1
79.05477	9.7
81.03412	1.5
81.07053	26.2
83.08604	4.4
84.04494	10.2
85.02888	3.2
91.05472	24.6
93.07032	19.3
95.04928	3.0
95.08598	32.5
96.04470	5.0
96.12973	1.2
97.02890	6.7
98.06033	2.0
103.05466	1.1
105.07022	100.0
106.07324	1.5
107.08585	21.5
109.06495	2.1
109.10152	28.1
114.05498	4.7
114.55532	1.1
117.07005	6.6
117.07718	1.3
119.08568	47.4
121.06493	1.5
121.10139	22.1
123.11684	7.6
126.05505	13.6
127.03954	1.7
129.07005	1.8
129.97865	1.3
131.08513	3.7
133.06480	1.3
133.10124	37.8
135.11659	4.8
138.05499	1.8
143.08543	1.5
144.06538	1.8
145.10078	6.0
147.11673	66.9
148.12195	1.2
154.65158	1.1
157.10085	2.4
158.82855	1.2
159.11678	2.7
160.12436	2.4
161.09616	4.1
161.13243	20.6
163.53610	1.2
170.10913	1.3
175.11211	1.4
175.14775	12.3
185.13264	1.5
186.07587	1.5
188.10612	1.8
203.03294	1.1
203.06920	2.3
203.10675	4.6
203.14301	11.0
203.17935	63.5
204.06847	1.3
204.08609	7.0
204.13803	14.0
204.18321	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	203.1502
Annotation	SDMA
Peak:m/z	Relative Intensity
51.03318	0.6
58.06602	9.0
60.04530	1.7
68.05032	1.1
69.63229	4.1
70.06593	100.0
71.05002	4.1
71.06117	25.9
72.08155	66.3
75.09271	1.1
79.42403	0.6
84.04520	1.3
84.08142	19.8
85.02924	2.6
86.06104	0.8
86.09711	1.1
88.08755	36.6
96.04513	1.5
97.02882	1.1
98.06072	1.4
98.09694	29.9
98.21533	1.3
101.00877	1.7
104.35645	0.7
112.08745	2.6
112.11243	40.9
114.05540	1.5
115.08719	4.0
115.12328	22.6
116.07095	35.6
117.01324	0.6
117.07399	0.8
119.01906	7.3
121.01679	0.9
126.05521	1.3
126.10230	0.6
129.05002	0.6
129.13870	6.8
131.01917	2.3
132.14961	13.0
133.09726	1.9
137.02965	1.9
143.01883	3.4
155.01927	0.8
158.09267	4.2
158.11578	1.3
158.12894	26.8
161.02965	9.6
162.03081	0.8
172.10799	2.8
173.02995	1.5
186.19630	4.3
203.05327	0.8
203.15031	41.6
203.22321	17.1
204.13463	2.9
204.15298	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67192	0.4
53.95529	0.4
55.01885	0.4
55.05505	0.7
56.96553	0.8
57.03436	0.9
58.06598	12.5
60.04526	4.5
61.02914	0.4
61.52238	0.4
61.69628	0.4
68.05013	2.5
69.03423	1.6
69.52576	2.3
69.52999	1.1
70.06590	48.5
70.95857	0.6
71.04989	2.2
71.06114	12.5
71.06921	0.8
72.08153	100.0
73.08463	0.6
75.09234	1.7
77.00886	0.3
81.03409	0.7
84.04507	1.8
84.08141	27.5
85.02898	1.2
86.06087	0.5
86.09687	0.7
88.07627	0.6
88.08752	17.6
96.04485	3.3
97.02889	3.8
98.06050	1.2
98.09690	47.6
101.00896	1.6
110.06046	1.5
112.11239	67.9
114.05528	2.6
115.08691	1.7
115.12328	34.3
116.07087	16.5
119.01916	8.5
120.02052	0.7
126.05483	3.2
127.03854	0.5
129.13873	10.5
131.01891	1.6
132.14961	23.6
133.03467	2.4
133.09715	1.2
137.02951	1.6
138.05453	0.7
142.08661	0.5
143.01881	1.2
143.08150	0.7
144.06558	0.5
145.03494	0.7
151.04486	1.2
157.03403	0.5
158.09299	2.4
158.12889	11.9
161.02965	5.1
163.02826	0.6
166.07951	0.4
168.06557	1.1
172.10818	1.4
173.02979	1.9
175.11662	0.4
186.19644	7.3
189.29266	0.5
191.04005	2.6
203.03647	0.6
203.05490	2.2
203.15044	21.1
203.22310	28.7
204.08664	1.9
204.13400	3.5
204.22565	0.4
221.05035	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	203.143
Annotation	Penidienone
Peak:m/z	Relative Intensity
53.03943	0.6
54.54636	0.3
55.01861	1.2
55.05496	1.2
56.05029	0.6
56.96544	1.6
57.03442	0.6
58.06591	0.5
59.35887	0.3
59.71003	0.4
60.04218	0.8
60.04521	11.4
61.02920	0.5
66.00039	0.4
67.05507	4.7
68.05023	2.2
69.03411	0.4
69.07092	2.3
70.06562	0.4
70.46552	0.7
71.04990	0.5
72.08135	1.6
77.03940	0.6
79.05492	5.8
81.03405	0.9
81.06635	0.5
81.07060	4.8
83.08600	0.6
84.04505	6.2
84.08123	0.9
85.02908	1.7
91.05473	9.9
93.07044	5.2
95.04949	1.6
95.08595	3.5
96.04496	4.2
97.02895	4.5
98.06047	0.8
98.09705	0.8
99.04449	0.5
103.05447	1.0
105.07027	11.3
106.07364	0.3
107.04921	1.1
107.08587	1.7
109.06525	0.8
109.10146	0.9
110.06026	0.8
112.11247	1.0
114.05526	3.5
115.05489	0.8
115.12286	0.4
117.07024	4.0
118.55668	0.4
119.08582	7.1
121.06505	4.3
121.10145	1.2
123.08102	0.6
126.05515	7.0
127.03920	0.6
128.02095	0.4
128.06218	2.3
129.07005	4.9
131.08543	3.8
132.14906	0.6
133.06479	0.4
133.10115	3.5
135.08037	1.1
138.05502	0.6
142.07748	0.7
143.08548	5.0
144.06529	0.9
145.10130	1.2
147.08002	2.5
147.11649	1.3
149.01251	0.6
156.06462	0.5
156.09375	0.5
157.10147	2.0
159.11726	2.5
161.09627	1.5
161.13216	0.9
168.06625	0.7
170.10924	0.5
175.11169	0.5
175.14804	2.1
185.13249	5.5
186.07616	0.9
187.09573	0.4
188.10742	0.5
203.14307	100.0
204.06847	0.6
204.08650	3.2
204.14491	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	203.1431
Annotation	Penidienone
Peak:m/z	Relative Intensity
50.74809	0.2
53.03938	0.6
55.01858	0.7
55.05507	1.4
56.05029	0.3
56.96563	2.0
57.03427	0.8
57.07058	0.3
58.06575	0.4
60.04526	6.9
61.02909	0.3
67.05500	2.9
68.05031	2.0
69.03426	0.4
69.07076	1.1
69.26461	2.4
70.06568	0.7
70.81826	0.2
71.04997	0.4
72.08156	3.7
79.05500	4.0
81.03400	0.6
81.07056	4.3
83.04971	0.5
83.08611	0.6
84.04510	3.7
84.08142	1.3
84.39051	0.2
85.02910	1.0
85.06555	0.2
91.05482	7.2
92.05751	0.3
93.07043	4.1
95.04948	1.2
95.08608	2.8
96.04485	3.1
97.02898	3.2
97.06524	0.3
98.06033	0.6
98.09702	1.6
99.04428	0.4
99.08060	0.3
100.11241	0.3
103.05462	0.9
105.07031	8.9
107.04939	0.6
107.08578	1.5
109.02842	0.3
109.06507	0.5
109.10154	0.5
110.06055	0.5
112.11236	2.7
114.05534	2.7
115.05439	0.8
115.12332	1.5
117.07016	3.4
119.08578	5.1
121.06510	4.8
121.10146	0.9
123.08057	0.7
126.05511	4.7
127.03946	0.4
128.06248	1.4
129.03360	0.2
129.07013	3.8
129.13815	0.5
131.04922	1.3
131.08556	2.3
132.14955	0.6
133.06459	0.8
133.10129	2.6
135.08049	0.7
138.05540	0.5
142.07765	0.4
143.08551	4.0
144.06558	0.7
145.10106	0.8
147.04410	6.2
147.08017	1.3
147.11673	1.6
149.01202	0.7
156.06599	0.2
157.07567	0.2
157.10158	1.5
159.04395	0.4
159.11693	1.5
161.09624	0.9
161.13260	0.7
167.02292	0.4
168.06641	0.6
170.10855	0.3
173.13210	0.2
175.03897	1.5
175.11194	0.4
175.14864	1.3
185.13254	3.9
186.07564	0.6
186.19574	0.2
188.10686	0.3
189.11467	0.4
194.65134	0.4
202.64836	0.3
203.01486	0.4
203.03409	8.2
203.14316	100.0
203.22208	1.0
204.03720	0.5
204.08713	2.7
204.14796	3.0
206.30975	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.143
Annotation	alpha-Amylcinnamaldehyde
Peak:m/z	Relative Intensity
52.35506	0.2
53.03939	0.6
55.01858	0.5
55.05510	1.0
56.05025	0.3
56.96566	1.2
57.03428	0.3
57.07073	0.3
58.06580	0.2
60.04527	4.8
67.05505	3.0
68.05025	1.3
68.42036	0.2
69.03442	0.4
69.07078	1.3
69.74268	0.7
69.74693	0.5
70.06581	0.3
71.04988	0.5
72.08151	2.8
79.05488	4.3
81.03429	0.4
81.07057	3.6
83.04974	0.4
83.08595	0.3
84.04498	2.7
84.08138	1.0
85.02888	0.6
88.14033	0.2
91.05481	6.6
92.05833	0.2
93.07037	3.9
95.04969	0.8
95.08611	2.0
95.93461	0.2
96.04488	1.7
97.02892	2.3
98.06033	0.5
98.09689	1.3
98.20710	0.3
99.04440	0.2
99.08077	0.3
101.43076	0.2
103.05462	0.7
105.07026	8.8
106.07274	0.2
107.04955	0.5
107.08617	1.1
107.09211	0.2
109.06493	0.6
109.10130	0.5
110.06022	0.3
112.11240	1.9
114.05523	2.0
115.05450	0.4
115.12325	0.8
117.07013	3.2
119.08585	4.8
121.05653	0.3
121.06503	4.4
121.10114	0.5
123.08059	0.5
126.05524	3.6
127.03863	0.3
128.06233	1.3
129.07013	3.3
131.00195	0.2
131.08575	2.7
132.14946	0.7
133.06474	0.7
133.10141	2.4
134.07211	0.2
135.08064	1.1
138.05492	0.6
142.07742	0.6
143.08560	3.9
144.06523	0.5
144.09303	0.3
145.04985	0.4
145.10118	0.8
147.08028	1.4
147.11688	1.4
149.01204	0.5
155.08635	0.2
156.06567	0.2
156.09377	0.2
157.10146	1.3
159.11751	1.3
161.09601	0.8
161.13248	0.4
167.02260	0.2
168.06581	0.5
170.10924	0.3
175.14809	1.4
183.08496	0.3
185.13254	3.7
186.07664	0.4
186.13585	0.3
189.11557	0.3
197.99101	0.2
201.48631	0.2
202.64914	0.3
203.14308	100.0
203.22325	0.9
204.08678	2.0
204.14780	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	203.1431
Annotation	Penidienone
Peak:m/z	Relative Intensity
53.03930	0.8
54.53563	0.3
55.01871	0.6
55.05503	1.4
55.26225	0.3
56.05019	0.5
56.87737	0.3
56.96561	0.6
57.03419	0.5
60.04524	7.8
61.02914	0.7
65.03954	0.4
67.05501	4.3
68.05027	2.3
69.03413	0.6
69.07055	1.3
69.66363	2.1
71.04975	0.4
72.08149	0.5
79.05491	5.5
81.03407	0.8
81.07057	4.7
83.04980	0.8
83.08602	0.5
84.04510	5.0
84.08118	0.5
85.02898	1.4
85.06519	0.3
91.05479	9.9
93.07045	4.9
95.04952	1.2
95.08595	3.4
96.04492	3.5
97.02886	3.8
97.06506	0.7
98.06071	0.6
98.09726	0.4
99.04448	0.3
99.08020	0.3
103.05472	1.0
105.07032	11.5
107.04958	1.4
107.08571	1.4
109.06436	0.4
109.10172	0.4
110.06022	1.1
112.11244	0.6
114.05537	2.8
115.05447	0.9
117.07018	5.0
118.07786	0.3
119.08590	6.3
121.06505	5.1
121.10159	0.8
122.06045	0.3
123.08057	0.5
126.05514	5.8
128.06241	2.0
129.07010	5.0
131.08572	3.6
133.06474	0.6
133.10126	2.3
135.08064	0.7
138.05453	0.6
142.07790	0.8
143.08569	4.9
144.06552	1.1
144.09335	0.4
145.04947	0.4
145.10100	0.9
147.08028	1.3
147.11687	1.0
156.06575	0.5
157.10127	2.5
159.08084	0.4
159.11668	1.8
161.09605	0.8
161.13229	0.8
168.06523	0.7
170.10957	0.6
174.27876	0.3
174.98575	0.3
175.11192	0.4
175.14856	1.7
185.09612	0.3
185.13278	5.4
186.07617	0.8
188.10559	0.5
189.11592	0.4
203.14314	100.0
204.08682	3.4
204.14803	3.2
212.93326	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28337	7.1
56.39939	6.2
62.58354	5.9
69.72800	44.2
82.23946	5.8
101.00858	10.0
119.01922	100.0
120.01967	6.2
133.03401	6.1
137.02963	47.2
142.03487	29.3
143.47127	5.6
152.19569	6.6
152.86308	5.9
160.04552	29.9
161.02934	10.0
174.98265	6.7
178.01057	12.1
178.05553	17.1
179.03937	29.4
201.68552	6.2
218.85312	6.4
218.90147	6.1
220.02118	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	203.0526
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.2
60.04526	1.3
61.02916	1.4
68.05016	2.3
69.03387	1.0
70.06593	100.0
71.05000	2.7
71.05734	1.8
71.06114	29.4
71.55511	1.8
72.08160	6.5
73.02901	1.1
76.72311	0.9
82.99819	0.9
84.04484	1.8
85.02870	2.3
85.10528	0.9
86.09708	1.1
88.08753	38.1
90.59786	1.0
96.04491	3.4
97.02876	4.0
98.06057	4.2
101.00897	6.8
110.01331	1.1
110.06053	1.7
111.67757	0.8
112.08752	1.4
114.05538	2.8
115.08678	4.5
116.07088	41.0
119.01920	31.4
121.01658	1.3
126.05521	3.9
127.99895	1.0
129.89096	0.9
131.01074	1.0
131.01891	6.3
133.09717	2.6
137.01974	2.2
137.02953	4.8
137.51971	1.3
143.01891	10.0
144.06563	2.4
145.03397	1.4
149.02953	1.6
155.01845	1.7
157.03513	2.2
158.09241	4.4
158.12891	25.6
161.02956	30.2
162.03009	1.3
166.56319	1.0
168.06607	1.7
172.10776	2.4
173.02994	5.9
179.04005	1.4
184.04532	0.9
185.02863	2.2
203.05298	42.8
203.10115	1.2
203.15048	44.5
204.08638	1.4
221.05075	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	201.1638
Annotation	ar-Tenuifolene
Peak:m/z	Relative Intensity
53.03941	1.1
55.01879	0.9
55.05516	6.1
56.61139	0.7
56.96559	2.3
57.03439	0.9
57.07067	1.7
59.93111	1.4
65.03935	1.0
67.05177	1.0
67.05508	15.6
69.07077	5.1
70.06602	1.6
71.59051	0.9
79.05070	1.3
79.05495	20.1
81.07058	22.0
83.08624	4.9
91.05480	43.1
92.05810	0.8
92.43430	0.7
93.07048	13.7
95.04983	0.9
95.08612	11.1
103.05450	1.4
105.07031	31.3
107.08598	12.3
109.06496	1.0
109.10129	3.4
109.25415	0.8
112.03955	0.8
115.05456	2.5
116.98580	1.3
117.07017	18.7
118.96758	6.6
119.08583	47.6
120.08926	1.2
121.10146	10.6
126.50004	0.7
127.03908	1.0
128.06244	1.0
129.06967	4.1
130.07765	3.5
131.08568	50.7
132.08899	1.9
133.10130	25.4
133.99095	1.9
134.99655	1.1
135.11685	2.5
137.06017	0.9
141.07005	1.3
142.07748	0.8
143.08546	1.7
144.09329	2.4
145.06482	1.2
145.10127	52.5
146.10510	2.2
147.11665	2.3
154.96449	2.1
155.08571	1.3
157.10065	4.9
159.11688	36.4
160.12366	1.5
173.13269	19.1
174.13577	1.0
177.98087	5.4
183.06439	0.8
183.11639	1.2
195.01607	0.9
199.14803	1.2
201.05391	1.0
201.12836	7.1
201.16380	100.0
201.24048	2.5
202.05145	0.8
202.12910	0.9
202.16747	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	201.1636
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
54.92329	0.8
55.05501	4.8
56.96291	0.9
56.96557	14.3
57.03422	1.3
57.07070	23.1
59.93108	5.9
65.03925	1.2
67.05498	6.5
69.03404	1.7
69.07059	6.8
69.55222	0.8
70.06574	1.1
71.08610	3.4
71.59557	1.4
72.93781	1.5
77.94143	2.6
79.05488	6.4
81.03390	0.8
81.07053	13.3
83.08600	2.7
84.96006	1.7
86.09708	2.3
90.94787	1.0
91.05473	13.3
93.07029	9.2
95.04931	1.8
95.06094	0.7
95.08600	11.8
95.95185	1.6
97.02905	0.8
98.97575	3.0
102.09167	1.8
103.05467	1.6
105.07027	27.8
106.07295	1.0
107.04915	1.1
107.08586	12.0
109.06517	1.1
109.10120	3.8
113.40862	0.8
114.09153	3.2
115.05420	2.4
116.97221	1.1
116.98603	3.9
117.07005	14.8
118.96755	32.3
119.07785	1.4
119.08569	18.5
119.36527	0.8
121.10149	6.7
123.04459	0.9
126.30326	0.7
127.03890	1.7
128.06175	1.5
128.10661	1.2
129.06984	6.3
130.07776	8.2
131.04924	1.4
131.08565	31.4
132.08984	0.9
133.01730	2.8
133.10127	5.8
133.99092	8.6
134.01208	1.4
134.99622	3.3
136.95419	1.8
141.06999	1.5
141.98326	2.4
142.07756	1.7
143.08575	6.9
144.09303	5.9
145.06500	3.9
145.10114	100.0
146.10541	2.5
146.97382	1.0
147.11670	1.1
150.95705	4.3
154.96457	11.1
155.08475	1.8
157.10114	9.1
158.10936	3.8
159.11682	64.5
159.96942	1.8
160.12236	1.7
160.97429	1.1
165.05554	1.0
167.03589	2.5
171.11714	4.5
172.12587	3.7
172.97511	3.5
173.05917	2.3
173.09621	1.1
173.13249	16.9
177.04337	10.3
177.98055	27.1
183.11638	1.9
184.16992	2.7
186.10498	1.0
186.14024	4.0
195.05350	4.5
200.05856	1.0
200.99677	2.8
201.05463	2.2
201.09090	4.1
201.12782	7.1
201.16374	69.6
201.20401	2.9
201.92181	2.7
202.16574	1.5
202.18192	1.9
207.08452	0.8
222.04388	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36163	0.2
55.02992	4.9
56.96570	0.5
59.93113	0.4
69.00909	1.8
70.04071	0.8
70.06596	0.3
71.34341	0.4
74.35770	0.3
88.03983	1.2
96.01974	5.0
98.03537	18.6
98.97559	0.6
99.01949	0.6
99.04324	0.5
107.20120	0.3
115.05024	2.8
116.98627	0.6
118.96754	3.4
119.51303	0.3
124.01443	3.3
126.02995	100.0
127.03365	0.4
133.99077	0.7
136.95378	0.4
141.04095	1.9
144.04039	39.0
151.42549	0.3
152.00903	28.6
154.96454	1.0
158.05611	12.7
169.03566	17.3
170.01970	15.3
177.98053	2.2
184.03523	8.7
201.06087	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1274
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
51.02373	0.8
53.03947	3.3
55.01860	2.3
55.05508	4.0
56.96564	6.3
57.03423	2.7
57.07087	1.2
60.04525	0.9
63.84249	0.7
67.05496	5.4
69.03424	3.2
69.07052	3.0
70.06586	3.1
71.04990	0.8
71.58790	1.2
72.08147	2.2
73.02892	1.2
79.05494	20.8
81.03416	1.5
81.07059	6.9
83.04974	1.1
84.04478	1.3
84.08131	3.3
84.96033	1.1
85.02888	1.3
85.49532	0.8
86.09700	3.7
91.05479	18.5
93.07043	13.9
95.04971	10.9
95.08604	1.6
96.08101	0.8
97.02885	0.8
98.97572	1.5
103.05445	2.0
105.04503	1.5
105.07037	14.2
107.04967	2.4
107.08599	1.9
109.06519	2.6
114.05544	1.9
115.05460	6.6
116.06230	2.4
116.98625	2.3
117.07037	10.0
118.96750	3.5
119.08581	15.2
121.06503	13.6
122.07267	2.0
123.08057	2.9
127.03922	2.6
127.72966	0.8
128.06215	21.1
129.07007	21.1
130.07767	3.2
131.04878	1.5
131.08566	31.8
133.06497	1.7
133.10144	2.8
134.99651	2.1
135.08058	5.1
141.05377	1.0
141.06969	6.1
142.07797	4.7
143.08562	62.8
144.05699	3.5
144.09335	7.4
145.06483	11.7
145.10124	39.1
146.07271	1.1
147.08047	1.9
153.00700	0.9
153.06984	5.7
154.07726	1.1
155.08545	11.3
157.06499	7.9
157.10133	4.5
158.07271	9.5
158.10902	13.9
159.08058	27.5
159.11690	13.0
160.08821	3.3
161.09618	1.5
168.09337	8.6
171.08061	19.0
171.11714	1.5
172.08832	31.7
173.09625	29.3
173.13251	28.2
173.14456	0.6
177.00729	2.8
177.98070	2.7
183.04454	1.0
183.11687	16.4
185.09619	6.8
186.10405	42.8
187.10754	1.2
201.05501	2.6
201.12743	100.0
201.16476	3.4
201.65950	1.1
202.10828	1.0
202.13049	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	201.0546
Annotation	5-Methylangelicin
Peak:m/z	Relative Intensity
55.01870	79.3
55.05490	1.3
56.96551	3.4
57.03423	1.2
57.07066	2.0
64.82071	0.7
67.05493	3.1
69.07059	1.0
70.06586	1.6
70.20056	4.0
77.94131	0.8
79.05463	1.8
81.03410	1.8
81.07041	3.0
84.08121	1.5
91.04964	1.1
91.05478	11.1
93.07020	1.6
95.04958	1.3
95.08590	1.5
97.02878	0.8
98.97591	1.2
100.93340	0.8
103.05476	6.0
105.07040	4.1
107.08609	1.4
109.06519	1.0
111.60681	0.8
115.04044	0.8
115.05453	18.6
116.06251	1.3
116.98597	1.4
117.07015	25.0
118.96758	6.4
119.08573	2.4
121.02871	1.6
122.92805	0.8
127.03927	1.9
127.05435	18.8
128.06233	8.2
129.07008	9.5
131.04929	10.1
131.08577	5.5
131.98566	0.8
133.06523	1.0
133.10072	1.8
133.99028	1.3
134.99648	1.4
141.06982	1.9
141.98280	0.8
143.04813	1.0
143.08495	1.1
144.05675	2.8
145.06483	27.9
145.10126	6.6
146.06853	1.0
149.01250	1.1
150.95683	0.9
151.58055	0.8
154.61151	0.9
154.96466	1.6
155.04898	39.5
155.06047	9.3
155.08488	1.5
157.10098	1.6
159.04411	16.9
159.08022	1.1
159.11665	5.8
171.04427	2.7
172.05168	3.4
173.05980	10.1
173.13225	1.3
177.00684	1.9
177.98035	3.4
183.04413	100.0
183.11705	1.3
184.04756	2.1
201.05458	51.0
201.12723	7.6
201.14426	1.3
201.16377	10.5
201.65916	1.7
202.05949	1.2
217.04999	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	201.0547
Annotation	5-Methylangelicin
Peak:m/z	Relative Intensity
52.83678	0.2
53.03938	0.5
55.01866	0.3
55.05500	0.4
56.96344	0.2
56.96567	2.3
57.07070	0.2
60.04510	0.2
62.01138	0.2
65.61008	0.2
67.05503	0.3
68.99776	0.4
69.03436	0.3
69.07072	0.4
70.06580	0.4
71.32419	0.4
72.08140	0.5
76.44988	0.2
79.05492	0.2
81.03426	0.2
81.07038	0.7
84.08146	0.4
84.96004	0.6
85.02898	0.3
86.09705	0.6
91.05483	3.3
93.07018	0.3
95.04971	1.3
98.97596	1.6
99.04494	0.2
102.04649	0.3
102.97145	0.2
103.05465	9.2
105.04504	0.2
105.07025	0.6
115.05456	7.8
116.06258	0.4
116.98633	2.1
117.07019	4.5
118.96746	0.6
119.08569	0.3
120.98100	0.2
126.04642	0.7
127.05441	12.6
128.06229	9.5
129.06995	0.7
131.04933	1.7
131.08560	0.8
133.10097	0.3
134.99663	2.3
136.60925	0.2
137.03020	0.2
143.04915	0.5
143.08568	0.3
144.05688	0.2
145.06480	6.5
145.10129	0.7
149.01189	0.6
153.00673	0.3
155.04900	10.0
155.06052	3.6
156.05537	0.5
157.06433	1.0
157.10117	0.4
157.87228	0.2
158.99632	0.4
159.08092	0.3
159.11696	0.5
162.99144	0.7
171.04404	0.4
173.05984	1.5
173.13319	1.0
177.00644	1.2
177.97997	0.3
181.00131	0.2
183.04427	2.3
183.06041	0.2
183.06706	0.2
186.10371	0.4
195.01704	0.6
201.05466	100.0
201.12634	1.2
202.05841	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	200.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.01871	0.8
55.05506	4.4
55.93524	0.8
56.05036	2.2
56.96559	6.6
57.03438	1.8
57.07069	1.1
57.93552	1.1
59.04991	2.6
59.06115	1.0
59.93101	2.1
60.04519	0.8
61.02924	6.6
67.05502	1.0
68.05026	2.4
68.45062	0.7
69.03429	1.7
69.07062	5.0
70.04089	0.7
70.06587	64.7
70.07394	2.2
70.72183	1.8
70.95873	0.7
71.04991	23.1
71.06926	0.7
72.04515	1.2
72.08150	11.1
72.93788	1.6
73.95660	0.8
74.09705	1.1
75.10039	0.7
75.94598	0.7
77.94135	1.4
78.70966	0.5
79.05499	2.5
81.07052	14.6
82.06580	1.0
83.06089	1.4
84.04502	1.3
84.08148	4.5
84.96037	0.7
85.02904	2.0
85.06534	0.8
86.06046	1.7
86.09698	0.8
87.04475	0.8
87.08110	1.2
90.94804	0.6
91.05484	0.7
93.07033	0.8
95.06094	0.8
95.95151	1.0
96.04486	0.7
96.08144	1.2
97.02885	0.7
97.07654	1.1
97.08925	1.0
98.06061	1.4
98.09678	1.9
98.97578	8.0
99.05565	0.8
99.08092	1.0
100.03989	0.8
104.61416	0.7
110.05996	1.0
111.04404	0.9
111.05571	0.7
111.08089	0.6
113.05983	0.6
113.07110	0.6
113.09676	1.2
114.98302	0.7
116.97314	3.2
116.98603	12.8
117.97561	1.8
118.96758	16.6
119.01888	0.9
122.06035	0.7
124.07600	0.6
124.11234	4.0
125.07099	1.1
126.12783	100.0
127.03966	0.7
127.13136	1.4
130.06534	1.9
131.99489	0.6
132.99184	0.7
133.99092	3.6
134.99655	20.8
136.07607	1.2
137.02966	0.7
137.05960	0.9
137.07065	0.8
140.00089	0.5
140.08138	0.6
140.10704	3.8
142.12263	57.9
144.08092	0.7
146.05986	1.1
146.99625	0.6
150.95694	2.8
150.96780	1.0
152.02228	0.7
152.96968	1.8
153.00703	6.8
153.96719	2.7
154.08644	1.4
154.12245	0.9
154.96457	6.2
155.06029	2.5
156.06680	0.9
156.13849	1.5
157.07634	2.1
157.98940	1.0
158.01276	1.5
159.09149	0.7
159.97041	0.8
164.07068	0.7
168.13837	13.4
172.97523	2.1
173.07043	1.0
175.98563	1.9
176.02322	1.2
176.98564	2.9
177.00615	1.4
177.98042	11.5
182.08044	1.3
183.09128	1.2
200.07278	1.0
200.09061	1.7
200.10597	1.4
200.12796	7.7
200.16444	22.3
200.18860	1.2
200.20345	1.1
201.06601	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	200.128
Annotation	N-Hexanoyl-L-homoserine lactone
Peak:m/z	Relative Intensity
53.03935	2.4
55.05517	7.0
56.05035	7.9
56.96548	2.8
57.03182	1.7
57.03436	28.6
57.75869	1.1
60.50335	1.1
67.05486	4.9
68.05019	4.6
69.03429	11.5
69.06717	1.7
69.07068	27.5
70.06591	16.9
70.07397	1.5
70.23294	5.3
71.04974	1.7
72.93800	2.0
74.06029	1.4
79.05486	12.5
81.07053	29.9
82.06567	6.4
84.04499	27.3
84.08124	5.9
85.02899	8.1
86.06065	71.4
86.09700	10.6
87.04466	100.0
91.07254	1.2
93.07023	1.6
94.06560	2.9
95.04974	1.3
95.08605	6.0
96.04468	1.8
96.08128	7.3
97.06528	66.8
98.06035	3.8
98.09694	8.7
98.97577	6.1
99.07472	2.1
99.08088	28.4
100.07620	5.9
100.08257	1.1
102.05535	11.3
104.07101	13.0
108.08092	1.6
110.05991	2.0
110.09674	4.7
112.07610	9.4
113.58508	1.2
114.09167	46.0
116.10719	3.3
116.98608	4.5
118.96786	2.2
119.01895	4.7
120.08105	1.5
124.07590	2.9
126.09181	3.2
128.07072	16.2
131.01846	1.4
134.99663	5.9
136.06140	1.2
136.11195	2.9
137.02953	1.8
137.05959	4.1
138.09119	11.8
140.07066	1.8
142.08658	8.8
152.10654	1.3
154.08624	10.3
154.12283	9.2
154.15791	1.3
156.10191	11.6
157.11000	3.2
158.08113	5.2
161.21405	1.3
164.10693	3.5
172.09703	5.6
172.13298	2.8
177.00659	1.8
177.02391	1.2
177.98039	2.0
182.11771	7.5
200.12814	79.0
219.03476	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	200.128
Annotation	N-Hexanoyl-L-homoserine lactone
Peak:m/z	Relative Intensity
55.05500	0.5
55.98213	0.3
56.05025	0.5
56.96547	0.4
57.03426	1.0
69.03419	1.0
69.07068	0.7
70.71651	1.3
71.08621	7.0
71.23648	0.4
84.04492	8.9
85.02898	18.8
87.04436	1.0
88.11260	8.9
91.28166	0.4
95.01315	1.3
98.97562	1.7
102.04917	0.6
102.05537	6.8
112.03940	1.4
116.98605	1.7
118.96764	1.1
119.01876	0.5
130.04994	45.7
130.37138	0.4
134.99652	1.0
153.00525	0.4
172.13313	3.0
177.98080	0.9
200.12796	100.0
201.13087	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.128
Annotation	N-Hexanoyl-L-homoserine lactone
Peak:m/z	Relative Intensity
55.05507	1.0
56.05030	1.6
56.94319	0.5
56.96556	3.0
57.03431	1.3
57.07061	0.5
60.04528	0.6
68.05039	0.5
69.03411	1.2
69.07071	1.4
70.06584	1.3
70.07402	0.8
71.04988	0.5
71.08624	8.0
71.59302	0.6
71.59653	0.7
72.04498	0.6
72.08154	0.9
72.93768	0.9
74.09692	0.5
80.73645	0.4
81.03410	0.6
81.07079	0.6
83.04963	0.4
84.04494	15.5
84.08139	0.6
84.96043	0.6
85.02897	28.3
86.06084	1.0
86.09715	0.9
87.04460	1.6
88.07639	0.5
88.11265	2.1
89.78219	0.5
90.94827	0.7
91.05460	0.8
91.49915	0.5
95.01325	2.4
95.08563	0.6
96.08131	0.5
97.02913	0.6
97.30598	0.5
98.06075	0.9
98.97582	3.7
101.91370	0.5
102.05531	13.4
110.06104	0.4
112.03947	1.9
112.07614	0.5
116.97233	1.2
116.98600	6.1
118.52285	0.5
118.96746	4.6
122.97417	0.7
127.03857	0.5
128.07060	1.6
130.04991	100.0
131.05385	0.5
131.97394	0.5
133.99078	1.7
134.99646	6.2
136.07518	0.6
137.02995	0.4
140.07077	0.6
145.05121	0.4
145.06439	0.9
145.99002	1.1
150.96820	0.6
152.96869	0.6
153.00673	2.2
153.96675	1.0
154.12358	0.5
154.96474	1.3
172.13335	1.0
173.05933	0.8
175.98578	0.8
176.98383	1.6
177.00623	0.8
177.98065	3.3
200.12796	79.0
201.05418	1.1
201.13115	1.7
208.14194	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0918
Annotation	L-Anticapsin
Peak:m/z	Relative Intensity
53.03940	6.8
55.01868	24.2
55.05511	17.5
56.05030	10.0
56.53603	2.2
56.96563	26.9
57.03434	9.3
57.07075	3.2
58.06590	7.1
60.04518	16.8
60.17908	2.3
61.02910	8.3
62.87375	2.3
65.03947	23.1
67.05500	26.7
68.05024	12.5
69.03432	23.0
69.07066	5.1
70.02970	6.4
70.06594	70.4
70.30121	2.9
70.93177	6.1
70.93528	3.1
71.01359	4.1
71.04999	4.9
72.04524	8.5
72.08155	7.7
73.02919	15.2
74.06063	4.9
74.09724	4.1
77.01019	2.5
79.05498	18.5
80.05007	15.6
81.03420	18.6
81.07056	29.1
82.06577	22.8
83.04984	42.0
84.04496	26.0
84.08144	13.5
84.96062	4.4
85.02906	19.9
85.04041	2.7
86.06073	23.5
86.09695	21.0
87.04455	2.7
91.05480	37.9
93.03412	9.6
93.05792	10.3
93.07066	11.5
94.04179	3.7
94.06567	29.8
95.04962	36.4
95.07406	3.0
96.04483	18.1
96.08136	8.3
97.02900	28.6
97.05240	3.9
97.06502	4.2
98.06058	12.9
98.97575	23.7
99.04450	4.4
100.03996	4.8
102.05526	4.8
103.05489	2.9
104.01322	4.0
106.06522	13.6
107.04958	21.8
107.07349	11.2
108.04490	4.3
108.08112	63.7
109.02882	17.1
109.05304	5.4
109.06515	19.9
109.07699	3.4
110.01272	5.6
110.06046	32.5
110.07168	6.0
110.97638	3.1
111.04440	78.3
112.03991	4.2
112.07629	5.5
114.05560	3.8
115.03880	3.1
116.01313	2.8
116.98628	29.7
118.06515	17.4
118.96784	4.5
119.01824	16.2
119.04946	28.7
120.04452	2.8
120.08118	3.5
121.02879	6.8
121.05335	3.5
121.06525	4.4
122.06026	16.9
123.04432	51.8
124.07584	42.7
124.08373	4.0
125.01729	3.9
125.06004	7.9
125.07053	2.7
126.05539	17.6
126.09167	10.1
126.12790	3.9
127.03896	17.3
128.02359	7.5
128.98625	9.0
129.06543	5.1
130.08636	3.3
131.01816	4.3
134.06041	14.6
134.99664	35.3
135.04477	9.0
136.07576	95.6
137.02985	2.8
137.05948	28.2
138.05490	18.6
138.09152	5.7
139.03886	22.7
140.02335	5.8
140.07039	20.4
141.05476	4.7
146.02362	4.2
146.06001	20.7
146.99677	13.8
147.04405	18.7
149.02922	3.3
152.02333	3.3
152.07059	45.7
153.00774	8.9
154.07434	2.8
154.08624	36.7
155.02824	3.5
155.06050	3.0
156.06567	5.9
158.01317	4.4
158.99739	7.2
161.01292	4.9
161.02892	7.0
164.07057	53.1
165.00774	4.2
165.05554	10.5
170.08122	4.4
172.04071	3.1
176.02383	3.2
177.00703	20.3
177.98065	4.5
182.04506	2.8
182.06703	3.5
182.08131	46.6
182.09558	4.2
183.06549	6.3
189.00786	9.3
194.97993	2.7
195.01785	3.5
200.05841	3.5
200.07785	15.2
200.09261	100.0
200.12892	5.8
200.19116	6.4
219.01819	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	199.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	9.3
55.05513	32.4
56.96555	4.1
57.03429	5.5
57.07078	13.5
57.93553	4.0
59.29251	2.3
67.05503	11.7
69.07070	27.0
70.79342	6.4
71.05000	3.3
71.08614	5.7
72.04517	4.1
72.08138	4.9
74.09719	24.2
79.05494	14.3
81.07065	17.7
83.04986	12.0
83.08613	29.2
84.08916	3.2
85.06557	3.7
85.96112	1.9
91.05474	6.6
93.07050	13.9
95.08614	11.3
97.06508	12.5
97.10163	15.7
98.10538	2.3
98.97568	4.2
99.08073	2.9
100.07603	6.6
105.07009	3.4
107.08601	17.0
109.10154	5.9
111.04443	7.1
111.08052	6.3
113.09656	2.3
116.97219	26.5
116.98634	7.3
117.06997	5.3
119.08593	3.3
121.10166	7.8
125.09615	3.8
125.10710	2.5
128.06215	5.6
129.06987	16.7
131.08565	6.0
131.99586	3.6
134.99678	6.2
135.11690	9.7
142.07759	2.6
143.08582	13.7
145.10162	6.1
152.96936	8.4
153.00706	2.8
153.12764	3.4
157.10115	14.4
159.36856	2.2
163.14856	12.0
171.11746	3.9
175.98608	14.9
181.06473	4.6
181.15829	5.6
199.07526	9.8
199.14897	22.3
199.18880	100.0
200.09496	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	199.1481
Annotation	CADALENE
Peak:m/z	Relative Intensity
50.26767	0.6
53.03932	1.6
55.05256	0.9
55.05503	8.9
56.96560	1.8
57.07059	2.1
57.93565	4.1
58.07430	0.7
65.03941	0.7
67.05483	2.2
69.07059	16.0
70.07398	1.0
70.23663	1.0
70.24063	1.2
72.04541	0.9
74.09711	6.1
75.94600	2.5
79.05482	11.1
81.03367	0.7
81.07047	6.0
83.08610	2.6
88.63530	0.7
91.05473	18.8
93.07034	27.4
93.07624	1.3
93.95647	1.0
95.04958	4.8
95.08604	1.7
97.10144	0.8
98.10507	0.8
98.97581	1.6
100.07611	2.2
103.05444	1.0
105.04478	0.8
105.07024	30.6
106.07380	0.7
107.08578	16.1
109.06516	0.7
111.04436	2.0
115.05439	2.3
116.97213	24.4
116.98604	2.7
117.07007	4.0
118.07854	0.6
119.08572	31.5
121.10124	2.2
128.06203	14.1
128.07112	1.1
129.06990	15.9
131.08565	5.3
131.99542	5.1
133.10106	2.8
134.95845	1.3
134.99620	4.5
139.98793	1.3
141.06969	4.8
142.07765	26.4
143.00731	0.9
143.08545	46.5
144.09335	2.8
145.06485	1.1
145.10095	5.5
148.96172	1.7
152.96902	7.1
153.00729	1.2
154.07809	0.7
155.08543	7.2
156.09332	15.0
157.10109	78.7
157.97472	1.8
158.10779	3.5
169.10118	16.0
170.10901	10.2
170.97952	2.9
171.11673	26.4
175.42676	0.6
175.97067	1.2
175.98514	18.1
176.02266	0.7
176.98596	0.8
182.10728	0.6
183.11743	1.2
184.12453	15.6
197.13145	0.8
199.00095	1.2
199.11166	3.1
199.14803	100.0
199.18829	31.3
200.15199	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	199.1481
Annotation	Guaiazulene
Peak:m/z	Relative Intensity
53.03929	1.9
54.86893	0.5
55.05507	5.7
56.96296	0.6
56.96565	10.5
57.07053	1.5
57.93547	2.6
60.64526	0.6
67.05489	1.7
69.06711	1.0
69.07066	14.7
69.83627	3.7
70.07416	0.6
74.09715	3.0
75.94608	1.7
79.05493	5.6
81.07036	2.7
87.42587	0.6
91.05479	9.9
93.07040	14.9
93.95625	0.6
95.04939	3.0
95.08594	1.1
97.10192	0.7
98.97547	1.5
100.07610	0.8
103.05465	1.1
105.07022	20.2
107.04935	2.8
107.08592	8.1
109.02328	0.7
109.06495	1.0
111.04442	0.9
115.05433	1.5
116.96379	1.0
116.97220	18.2
116.98593	1.8
117.07013	1.6
119.08582	23.0
121.10130	1.0
128.03067	3.2
128.06221	8.7
128.99149	1.0
129.07008	11.3
131.00749	1.8
131.08556	3.3
131.99562	5.2
133.10120	1.9
134.99612	1.5
135.03864	1.0
139.03868	0.7
139.98782	0.8
141.03775	0.7
141.06955	4.7
142.07777	24.2
142.08900	1.3
143.00713	1.9
143.08557	38.3
144.09319	2.3
145.06482	1.7
145.10107	3.0
148.96188	1.4
152.96878	5.6
154.07730	0.9
155.08539	6.8
156.09348	13.8
157.10124	66.2
157.97473	1.1
158.10815	1.4
167.08549	0.8
169.10139	18.0
170.10907	10.6
170.97993	1.5
171.08107	0.7
171.11687	22.7
175.98537	10.6
176.02264	0.7
179.07199	0.9
181.10054	0.9
183.11681	1.8
184.12480	19.0
184.59457	0.8
188.07805	5.2
197.13261	1.4
199.07082	1.4
199.14815	100.0
200.15213	2.2
205.37689	0.6
209.85490	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1328
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
53.03942	2.4
55.01873	1.0
55.05262	1.9
55.05510	29.0
56.05833	1.3
56.96566	3.0
57.03435	2.1
57.07071	15.8
57.93580	5.6
67.05503	6.2
69.03394	1.7
69.07069	22.3
69.74212	3.8
69.74628	3.9
70.07831	2.3
72.69855	1.1
74.09711	10.9
75.94603	2.7
77.63926	1.0
79.05487	5.5
81.07068	7.1
83.04972	10.2
83.08607	1.7
84.08916	1.3
85.06554	5.5
91.05472	6.3
93.07043	14.0
93.95609	1.3
95.04957	2.8
95.08604	13.9
97.06526	6.3
98.10475	1.2
98.96176	2.1
98.97582	3.6
99.27020	1.1
100.07623	2.8
100.99706	1.4
105.07046	5.7
107.08595	20.3
109.06519	3.4
109.10173	3.2
110.75776	1.2
111.04436	100.0
111.08079	2.7
113.06001	2.1
116.97221	40.7
116.98002	2.0
116.98639	4.2
117.07015	4.4
119.08590	3.0
121.06517	3.7
121.10157	2.7
122.07346	1.3
125.05994	29.8
127.07555	3.8
128.06238	2.8
128.99222	1.7
129.07004	3.0
130.07843	2.1
131.00703	1.7
131.08614	1.6
131.99548	9.4
134.95897	2.0
134.99649	4.2
135.08044	14.3
135.11673	20.0
136.12021	1.2
137.13225	1.5
139.07503	2.4
139.98799	1.6
142.07770	2.6
143.00688	2.0
143.08557	6.4
145.10106	17.4
148.96185	2.9
152.96910	13.0
153.12756	4.5
156.09312	1.4
157.10104	8.3
163.11188	22.0
169.10214	1.4
170.97986	3.1
171.11732	3.5
175.98540	25.7
181.12239	26.4
199.00143	2.3
199.07159	3.3
199.11153	1.9
199.14871	11.9
199.18880	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23634	1.2
53.03939	2.3
53.84221	0.9
55.01871	9.5
55.05506	5.1
55.32257	1.1
56.05024	1.5
56.96558	25.4
57.03431	21.2
57.07072	2.1
57.93550	2.9
58.03756	1.1
58.99842	5.8
59.04990	1.4
59.78333	0.9
59.99945	1.4
60.99589	1.3
61.02633	1.9
61.02920	25.4
65.03954	1.8
68.05022	2.7
69.03425	21.1
69.07053	3.8
70.03737	1.6
70.06602	7.2
70.07394	1.0
70.65994	3.5
70.98114	1.3
70.99836	1.2
71.01349	2.3
71.04974	7.6
72.08155	6.5
73.02911	51.2
74.03256	2.1
74.09709	8.2
74.97614	1.3
75.04483	2.5
75.94596	1.8
76.85831	1.1
77.00899	10.8
78.00983	2.3
79.05482	1.3
81.01897	2.7
81.03414	13.3
81.07055	2.1
82.02659	1.3
82.06573	1.3
82.99870	1.4
83.00791	1.2
83.01333	1.4
83.04984	2.5
83.08617	3.4
84.04498	3.4
84.08140	2.4
84.08969	1.1
84.96024	1.8
85.02895	43.5
86.03673	1.4
86.06055	5.7
87.01900	1.5
87.04459	3.0
87.28810	1.0
88.02679	4.3
88.99162	1.3
89.00864	2.9
90.01537	1.0
90.02425	3.1
91.02442	2.6
91.03908	1.7
92.01323	1.9
92.51379	1.1
93.01888	2.8
93.07056	1.3
93.95656	1.3
94.02666	4.1
94.99891	1.2
95.01397	1.3
95.01952	6.7
95.03459	1.0
95.04959	2.0
95.06059	1.5
96.01536	1.3
96.02418	3.4
96.04478	4.8
97.02866	17.8
97.06547	1.5
97.10127	1.1
98.01279	1.9
98.03227	1.5
98.97574	13.8
99.04453	7.3
100.02457	6.7
100.07616	3.2
100.64457	1.1
101.00862	12.5
101.02542	5.5
102.02399	10.0
102.52511	1.7
103.00607	1.4
103.02414	4.0
103.03161	2.4
103.03918	2.1
104.01302	2.6
105.00334	2.1
105.02091	2.5
105.02882	1.8
107.01813	2.2
107.03479	1.5
108.02348	6.0
109.02857	2.4
109.03462	1.7
110.01315	1.4
110.02115	1.6
110.09637	1.6
110.97601	1.2
111.02106	1.7
111.02902	10.5
111.04431	8.2
111.53036	2.0
112.01051	1.5
112.02602	1.0
112.03778	1.2
113.00870	2.6
113.01731	1.4
113.03393	1.0
114.02426	4.7
114.09119	1.4
115.02436	14.4
115.03173	2.3
115.03937	1.7
116.97233	22.3
116.98598	14.1
117.02072	1.9
117.02920	9.3
117.04007	3.4
117.53008	2.6
118.01097	3.0
118.03528	6.8
118.04163	4.8
119.01904	100.0
119.03633	6.7
119.51953	1.5
120.01933	7.8
120.03433	4.7
121.01645	14.3
121.02415	1.0
121.03432	3.8
122.02297	3.9
122.03539	1.9
123.02895	7.3
123.04399	1.3
123.53028	2.0
125.01723	1.6
125.02571	2.9
126.02544	1.4
126.03431	4.2
127.02473	2.2
127.03912	10.6
128.02303	1.8
128.98625	4.4
129.02942	4.8
129.04001	5.2
130.04037	1.4
130.05002	1.4
131.01888	29.6
131.02800	1.7
131.05527	2.4
131.99582	6.7
132.01917	1.8
132.03403	9.3
132.53592	2.0
133.01694	3.2
133.03458	37.9
134.03618	3.7
134.99651	12.6
135.03029	3.9
135.05005	6.4
136.03673	2.5
136.05219	10.2
136.07573	1.5
137.02945	42.4
137.04718	3.5
137.10744	4.1
138.03444	7.4
138.09142	6.8
139.02620	7.4
139.04115	2.1
140.02306	1.4
140.04631	3.4
141.03954	3.9
142.01111	1.6
142.03539	4.1
143.01874	20.8
144.03432	3.9
144.05133	1.3
144.99814	10.9
145.01636	2.4
145.03418	25.0
145.05066	2.0
146.03523	3.2
146.99669	6.9
147.01398	2.8
147.03931	3.7
147.05054	5.0
148.05176	7.7
148.96170	4.3
149.01183	2.0
149.02965	13.2
149.04776	2.0
149.06601	6.3
150.01828	2.5
150.03085	2.0
150.06712	4.8
151.04482	8.0
152.96902	8.2
153.00677	2.7
153.03958	9.6
153.07440	1.6
154.08621	1.9
155.01837	10.7
156.04517	1.3
157.03445	16.4
158.03632	1.5
158.96432	1.4
158.99655	1.7
159.01373	2.4
159.05026	2.4
160.02165	2.2
160.04688	3.3
160.97601	4.6
161.01157	2.6
161.01407	2.2
161.02939	49.6
161.97974	2.1
162.01921	1.2
162.03128	6.1
162.04483	2.6
162.99124	1.0
163.00897	5.7
163.02725	3.1
163.04549	9.5
164.07216	1.3
165.00768	4.1
165.04265	1.8
167.01956	2.5
168.01413	11.0
169.03453	3.1
170.98019	1.6
170.99506	1.4
171.03203	2.3
171.05046	4.4
172.08250	1.7
173.02939	34.6
173.06638	2.4
173.08369	3.0
174.03215	4.5
175.00957	1.5
175.02943	3.3
175.04480	27.9
175.98515	17.8
176.04651	4.5
177.00763	6.0
177.02472	17.9
177.04134	1.5
177.06161	1.2
179.03970	2.8
179.98976	1.5
182.08142	4.7
183.05072	2.2
184.02222	2.2
185.02959	29.7
185.04578	2.1
186.02762	3.5
187.04549	4.3
189.00703	3.8
189.02354	2.6
189.06096	3.0
191.03972	11.6
191.07643	1.5
193.00285	2.6
193.01993	2.1
193.03902	2.0
193.05573	7.6
194.05655	4.6
195.01884	2.3
195.03566	5.1
196.04419	1.2
197.02922	1.6
199.00722	1.1
199.02733	1.9
199.04565	9.6
199.06033	1.1
199.10910	3.0
199.18890	47.7
200.03984	8.9
200.05591	1.0
201.05954	1.3
203.04002	19.2
204.04254	2.8
209.05043	1.3
215.04045	2.9
217.00172	3.2
217.02043	1.8
217.03703	2.1
217.05510	10.0
217.07243	1.7
218.05084	2.0
219.01797	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	198.9854
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05647	0.4
70.06575	0.7
71.22158	0.9
76.74747	0.3
78.11920	0.3
86.98198	0.3
94.06540	0.4
95.67490	0.3
96.08089	0.5
110.07141	0.6
119.01934	4.2
120.95367	0.4
131.01878	0.8
136.08672	0.5
137.02971	1.8
138.51718	0.4
138.96355	2.3
138.99614	0.3
149.02913	0.9
150.04176	0.4
151.02722	0.4
156.97479	44.3
157.97568	1.2
174.98540	100.0
175.98648	3.0
176.98956	0.7
179.42953	0.3
179.99051	1.7
180.97554	0.5
198.00067	2.3
198.18501	1.9
198.98540	6.4
199.00296	0.4
199.18916	1.1
216.99600	26.0
217.99675	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
55.01871	9.5
55.05513	7.6
56.96562	25.6
57.03432	17.9
57.07060	3.3
57.10658	1.0
57.93560	6.8
58.99859	5.4
59.05000	1.2
61.02927	18.4
67.05495	4.0
68.05007	1.2
69.03431	18.1
69.07066	33.0
70.06586	7.8
70.07404	1.2
70.07856	2.5
70.99850	2.5
71.01339	1.7
71.04993	5.8
71.58693	2.3
71.95244	1.2
72.04508	2.1
72.08143	6.2
72.93774	2.2
73.02914	42.0
74.09714	12.2
74.88245	1.0
74.97621	1.2
75.04469	2.7
75.94599	4.8
77.00903	12.8
78.00989	2.8
79.00632	1.3
79.05459	1.7
81.03419	10.0
81.07053	1.6
82.99909	1.2
83.04990	1.9
83.08616	3.8
84.04501	2.9
84.08118	1.0
84.08987	1.0
84.19245	1.0
85.02903	34.7
86.03226	1.3
86.03687	2.0
86.06062	3.2
87.01892	1.3
87.04469	3.6
88.02666	3.1
89.03448	1.2
90.02454	1.3
90.94832	2.6
91.02435	2.1
91.05455	2.1
92.01313	1.3
93.07043	1.8
93.95645	2.2
95.01951	7.0
95.04939	2.5
95.08598	1.4
96.02422	3.5
96.04507	5.4
97.02877	16.3
97.10159	2.1
98.06036	1.0
98.96152	1.6
98.97569	8.4
99.04440	7.6
100.02477	6.4
100.07620	5.0
100.99718	3.6
101.00845	12.0
101.02559	5.0
102.02406	6.9
102.52474	2.6
103.00688	1.2
103.02414	3.1
103.03197	1.9
103.03913	1.6
104.01306	1.5
105.00353	2.5
105.02917	1.3
106.01097	1.2
107.01880	1.4
107.04905	1.6
107.08645	1.2
108.02366	2.6
109.02849	2.8
109.03503	1.3
110.02120	1.6
110.09706	2.0
110.51392	1.2
111.02927	11.0
111.03596	1.4
111.04444	9.3
111.52956	2.9
113.00884	2.4
113.02419	1.4
114.02402	2.3
114.04109	1.1
115.01429	1.1
115.01669	1.4
115.02431	8.9
115.03157	2.3
115.03909	1.2
116.97226	50.8
116.98560	13.7
117.02154	1.5
117.02938	6.4
117.03979	3.2
118.01050	2.8
118.03414	12.1
118.04173	4.8
119.01913	100.0
119.03591	9.7
120.01934	7.2
120.03372	4.5
121.01659	15.7
121.03426	2.1
122.03571	2.4
122.53732	1.2
123.02906	5.1
126.03426	3.0
127.01528	1.3
127.02409	1.9
127.03914	6.9
128.02333	3.1
128.98482	1.6
128.99280	2.4
129.02899	4.1
129.03967	3.2
130.04147	3.2
131.00783	4.3
131.01889	27.4
131.02817	2.4
131.03688	1.5
131.05580	2.0
131.97375	1.1
131.99559	11.9
132.00577	1.5
132.01932	3.2
132.03409	6.3
132.05751	2.1
132.53532	2.5
132.95839	1.4
133.01653	2.0
133.02573	1.1
133.03458	27.1
134.02908	2.3
134.95874	2.0
134.99651	12.0
135.03008	2.4
135.05037	7.4
135.99954	1.3
136.03677	1.6
136.05231	14.5
137.02953	59.4
137.04677	2.8
137.10759	2.0
137.53035	1.3
138.03436	7.5
138.09166	5.8
138.53568	1.9
139.02646	5.8
139.04190	1.4
140.04643	2.6
141.01245	2.4
141.03984	3.1
142.01135	1.5
142.03522	3.2
143.00746	3.2
143.01865	15.0
144.02084	2.5
144.03357	3.6
144.99794	11.2
145.03426	20.6
145.05119	1.6
146.03630	1.8
146.97478	1.3
146.99658	4.8
147.01337	3.0
147.04016	2.2
147.04974	7.6
147.06808	1.4
147.54054	1.3
148.05067	10.6
148.96164	7.1
149.01175	3.0
149.02936	12.9
149.04744	2.5
149.06566	7.7
150.01833	2.1
150.02951	1.4
150.06741	6.4
150.96869	2.9
151.02592	2.4
151.04507	4.9
152.96928	18.7
153.00717	3.5
153.02295	1.3
153.04004	4.7
153.07303	1.3
154.03603	1.4
154.04811	1.7
154.08513	1.4
155.01863	8.2
155.06999	1.2
157.02299	1.5
157.03441	12.5
157.97522	1.9
158.03600	2.2
159.01393	2.1
159.03067	1.7
159.05092	2.3
160.02122	2.8
160.04616	2.8
160.97566	4.0
161.01430	2.0
161.02956	39.1
161.97906	2.0
162.03058	6.2
162.04427	1.3
163.00891	5.0
163.02699	2.3
163.04544	5.0
165.00705	3.1
165.04082	1.9
167.02020	2.1
168.01398	13.0
169.03566	1.8
170.98007	5.2
170.99609	1.5
171.03177	2.5
171.05019	5.5
172.02649	1.4
172.08224	1.4
173.02959	24.4
173.06659	4.6
173.08351	3.7
174.03218	3.6
174.06192	1.7
174.98647	3.5
175.02911	2.3
175.04510	23.9
175.05933	1.9
175.98526	36.9
176.00063	1.9
176.04716	7.1
176.06018	1.4
176.99350	1.3
177.00777	4.2
177.02451	16.5
177.03992	1.9
178.98537	1.2
179.03960	2.9
181.03476	1.5
182.08095	2.5
184.04543	2.0
185.02963	23.2
186.02798	2.7
187.02881	1.2
187.04546	4.5
189.00679	3.7
189.02394	1.6
189.06094	2.9
191.02457	2.0
191.04028	6.4
191.07664	2.6
193.00273	2.0
193.01994	2.3
193.05556	5.0
194.05627	5.9
195.01884	1.4
195.03523	5.0
195.05139	1.4
198.18523	1.6
199.02676	1.6
199.04514	9.4
199.07114	2.7
199.14920	1.6
199.18878	52.2
200.03960	7.4
203.03992	15.9
204.04211	2.2
215.04013	3.5
217.00098	1.8
217.03687	2.0
217.05519	9.1
217.07367	1.5
218.05241	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43671	0.2
53.03941	0.3
55.01875	1.0
55.05509	2.7
56.96548	0.4
57.03418	0.2
57.07072	1.5
57.93544	0.4
57.97312	0.2
60.04514	0.4
65.03934	1.8
67.05499	0.8
69.03431	0.4
69.07065	2.5
69.28264	0.5
69.28662	1.9
70.04070	0.2
70.06593	1.9
71.04992	0.4
71.08640	0.5
72.04511	0.3
72.08138	0.3
72.93786	0.3
79.05483	4.5
81.03399	1.2
81.07056	1.1
81.41962	0.2
82.06572	0.6
83.04993	0.3
83.06093	0.2
83.08607	2.2
84.04499	0.4
86.06046	0.8
91.05473	100.0
91.80051	0.2
92.05805	1.3
93.07028	1.9
94.06559	1.6
95.04970	1.6
95.06094	0.5
95.07325	0.2
95.08574	0.5
96.08131	1.0
97.06518	0.9
97.10171	1.0
98.06055	0.6
98.97566	0.4
100.07609	0.8
103.05462	0.9
103.29409	0.2
105.07007	0.6
106.06551	2.7
107.04945	15.6
107.08596	0.4
108.08091	0.3
109.02870	0.7
110.05995	0.4
110.09690	0.5
111.04391	0.4
111.08067	0.2
115.05427	0.4
116.29819	0.2
116.97216	1.6
116.98591	0.4
120.08097	6.4
121.06509	1.3
121.10123	0.4
122.06042	0.4
123.04416	0.7
124.04053	0.2
124.07572	0.9
125.05979	7.5
125.83086	0.2
126.05496	0.4
126.06316	0.3
126.09144	0.6
128.06206	1.5
129.06987	0.4
130.06531	0.3
131.04919	0.7
131.99510	0.2
132.95813	0.3
133.05220	0.6
134.99663	0.4
135.08070	0.3
136.07539	0.3
137.05968	1.3
137.08276	0.3
138.09134	3.6
139.07498	0.4
143.08546	0.6
145.06528	0.2
148.07556	3.9
149.05959	1.2
150.09026	0.3
150.96892	0.4
151.97047	0.4
152.06229	0.4
152.96915	0.4
153.06961	0.8
153.13875	0.6
157.06436	0.3
165.07085	0.3
166.08708	3.6
171.08025	1.2
173.98573	0.2
174.98677	0.2
175.98509	1.0
178.05046	0.2
180.10205	0.8
181.06349	1.0
181.08557	0.6
181.10051	3.1
194.60515	0.2
198.06230	0.3
198.11209	2.0
198.12759	3.6
198.18517	35.8
199.05730	0.4
199.07521	6.1
199.14462	0.4
199.18817	0.4
209.07364	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0759
Annotation	DL-DOPA
Peak:m/z	Relative Intensity
53.03938	0.7
55.01854	0.6
55.05520	4.8
56.05029	0.7
56.96561	1.6
57.07067	2.9
57.93578	0.8
64.31428	0.5
65.03933	0.6
67.05498	1.3
68.05009	0.8
69.07062	7.7
70.06575	1.6
70.60976	0.6
70.95840	1.6
71.08622	1.4
71.39527	0.9
71.39883	1.0
72.08144	0.6
72.93764	1.2
74.02433	4.1
79.05489	6.7
80.04995	2.1
80.91291	0.6
81.03416	2.3
81.07038	2.0
82.06571	1.1
83.04967	1.3
83.08607	5.3
84.04510	0.9
84.08113	0.6
86.06061	1.5
91.05477	3.0
93.07038	1.7
94.06557	1.0
95.04974	1.6
95.08583	1.8
96.08133	1.2
97.06522	1.8
97.10165	3.2
98.97565	1.8
100.07601	2.2
106.06544	11.8
107.04947	25.7
107.08580	1.4
108.04495	1.0
108.05740	1.4
108.08120	0.8
108.08916	0.7
109.02878	1.4
111.04424	4.6
112.07615	0.7
116.04917	0.6
116.97224	6.5
116.98587	0.9
118.06549	3.5
119.04916	1.0
119.73087	0.6
121.10081	0.6
123.04462	0.6
124.07603	1.2
124.11284	0.6
125.05972	1.8
125.07064	0.6
131.62056	0.6
131.99513	1.3
132.95848	0.8
134.06020	13.8
134.99602	0.7
135.04408	31.0
136.04655	0.7
136.07547	1.3
136.08624	0.7
139.03893	7.9
139.06342	0.6
139.46500	0.6
147.70534	0.6
150.96860	2.3
151.97116	2.0
152.07057	55.2
152.96931	2.0
153.07352	0.7
163.03896	2.3
170.08130	0.8
173.98471	1.0
174.98790	2.0
175.98552	4.2
180.06538	6.1
181.04962	4.7
181.09734	1.3
198.05791	0.9
198.07590	8.6
198.18520	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.6
55.05505	6.4
55.93563	0.4
56.96297	1.3
56.96560	32.2
57.03451	0.9
57.07070	3.7
60.04539	0.6
67.05528	1.3
67.36568	0.4
69.03432	0.7
69.07067	5.7
70.04135	0.4
70.06607	1.3
70.95901	0.9
70.98123	0.5
71.05000	0.7
71.08664	1.4
71.53172	0.5
71.53514	0.5
72.04527	0.9
72.08183	1.3
72.93797	0.8
74.97601	0.5
77.00896	0.5
79.05515	1.4
81.03396	2.8
81.07079	1.5
82.06609	0.8
83.04998	0.8
83.08620	5.1
84.04485	0.5
84.08108	0.7
85.02956	0.6
86.06080	1.1
91.05489	0.9
93.07072	1.5
95.08616	1.3
96.08138	0.9
97.02878	0.5
97.06551	1.3
97.10161	3.0
98.01340	0.6
98.06065	1.0
98.97617	1.5
100.02500	0.6
100.07648	2.0
104.29763	0.5
107.04974	1.0
107.08624	1.1
110.97564	5.7
111.08108	0.5
116.97235	1.7
116.98637	1.7
118.03539	1.0
119.01940	1.7
121.06503	1.1
121.10134	0.8
124.07575	0.8
125.09655	0.4
128.98601	12.8
128.99550	0.7
130.99826	0.4
131.99583	0.6
134.05936	0.6
134.99695	1.2
135.05145	0.6
137.49800	0.4
140.07010	0.6
146.98470	0.9
146.99644	17.8
150.96866	0.5
151.97079	0.7
152.07089	1.5
152.10646	0.5
152.96902	0.6
155.96323	0.6
156.98065	1.3
160.97508	0.6
165.00679	5.3
170.01163	0.5
174.00725	0.8
174.96788	1.0
174.99138	26.7
175.98505	1.6
177.00684	0.5
193.00194	74.2
194.00591	0.7
198.00629	0.8
198.05951	0.7
198.07622	1.3
198.11314	1.2
198.18513	100.0
211.01254	9.4
216.01764	1.7
219.01410	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1534
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
53.03933	2.3
55.01852	4.0
55.05505	28.8
55.93514	2.9
56.96555	8.6
57.03431	4.8
57.07066	6.6
67.05495	44.7
68.05813	1.6
69.03407	2.7
69.07062	36.9
70.07868	1.5
70.22398	4.5
70.58700	1.4
70.95858	26.9
71.04983	14.0
71.08612	3.3
72.93787	15.8
79.05042	2.6
79.05476	22.8
81.03403	4.3
81.07047	83.4
83.04966	5.1
83.08604	19.6
85.06527	19.2
88.96912	7.2
90.94836	4.9
91.05473	24.9
93.07031	28.1
95.04955	6.5
95.08596	100.0
97.06519	33.6
97.10155	7.6
99.08058	4.9
105.07017	32.2
107.08578	18.7
108.95840	1.9
109.06542	4.1
109.10160	11.7
111.08080	4.5
111.98457	18.5
111.99688	1.9
113.08257	1.6
113.96393	3.9
114.21756	1.6
117.07020	2.4
119.08567	44.3
121.10133	10.4
123.08046	8.6
125.09557	1.7
126.99486	2.2
127.07544	3.0
129.01086	2.0
129.99498	15.4
131.08511	2.5
132.95816	26.2
133.10112	34.5
133.11067	2.1
135.08101	1.4
135.11670	28.9
137.09618	5.5
137.13242	22.7
141.05533	2.8
149.13206	1.8
150.96872	78.5
151.11206	2.5
151.97044	1.8
153.01122	2.4
155.02585	1.9
155.08507	3.1
155.97388	20.5
161.09645	4.1
161.13239	61.6
168.97943	4.3
169.08754	2.2
169.10135	5.0
173.98483	54.3
176.09547	2.5
179.10704	8.1
179.14294	30.5
182.10857	2.5
185.10141	2.0
197.00095	3.5
197.07254	2.1
197.09789	3.3
197.11674	6.4
197.13266	7.7
197.15350	11.8
198.18492	35.6
198.20163	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	197.1536
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
53.03953	1.6
55.01863	4.0
55.05507	26.8
56.96563	1.6
57.03425	4.7
57.07069	4.6
59.05007	1.3
65.03925	1.3
67.05496	39.0
69.03419	2.4
69.07058	27.5
69.75533	0.6
70.95858	12.5
71.01346	13.3
71.04982	19.1
71.08640	0.7
71.36987	0.9
71.37344	0.8
72.04499	0.7
72.93779	8.4
73.06556	1.4
79.05483	23.8
81.03420	1.3
81.07047	84.5
82.07395	1.6
82.25801	0.6
83.04966	5.7
83.08607	22.1
85.06532	21.5
85.10158	1.8
87.04443	1.2
88.96880	3.3
90.94823	2.4
91.05472	24.3
93.07035	25.4
93.07623	1.4
95.04966	3.9
95.08595	100.0
96.08914	1.5
97.06521	40.6
97.10160	6.2
99.04430	0.6
99.08070	5.7
101.05992	1.3
103.05420	0.7
105.07017	26.5
107.08588	15.1
109.06516	5.1
109.10136	10.8
111.08074	7.6
111.98460	9.1
113.06004	0.9
113.08244	1.6
113.09626	1.5
113.96394	2.1
115.07533	0.9
117.07016	1.5
119.08566	35.0
120.08862	0.8
121.10129	9.0
123.08050	6.9
123.11720	1.5
125.05966	1.1
125.09605	2.1
127.01210	4.8
127.07505	1.6
128.01567	9.3
129.99519	8.7
131.08589	1.1
131.97450	0.9
132.95815	11.5
133.09093	1.4
133.10112	27.6
135.11678	18.9
137.08557	0.6
137.09601	4.9
137.13234	13.4
139.07550	0.6
141.06920	0.8
141.09100	1.7
149.13246	1.9
149.97238	0.7
150.96870	40.5
151.03859	0.8
151.07553	0.7
151.11211	1.1
151.14783	0.9
155.10658	8.4
155.97388	10.6
161.09586	2.1
161.13235	50.8
168.97906	1.8
173.98468	23.5
179.10745	5.4
179.14285	27.3
197.00053	1.2
197.10146	0.7
197.11719	4.6
197.13431	1.3
197.15356	11.6
197.17145	1.4
198.18523	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	197.1535
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
53.03954	2.0
55.01876	7.8
55.05510	32.6
56.96560	5.6
57.03426	6.0
57.07069	8.4
62.08204	1.6
67.05500	40.6
69.03426	6.1
69.07063	25.4
69.78864	9.9
70.95865	18.3
71.04989	15.9
72.45012	1.9
72.93784	9.8
73.02912	3.2
73.31475	1.6
79.05487	26.2
80.04977	2.0
81.03408	3.4
81.07053	75.6
82.06588	1.9
83.04977	5.8
83.08617	19.5
84.08144	3.8
85.02914	2.9
85.06539	20.4
88.96893	4.1
90.94852	2.0
91.05482	26.5
93.07041	26.4
94.06594	3.4
95.04961	5.8
95.08603	100.0
96.08912	1.6
97.02879	4.9
97.06532	47.5
97.10169	4.7
98.97585	5.9
99.08093	7.9
105.03392	1.7
105.07025	28.9
107.08578	18.3
109.06525	6.7
109.10141	8.6
110.06020	1.8
111.08075	10.0
111.98486	9.7
112.11224	1.6
113.08243	4.0
113.96400	2.7
116.98614	3.7
117.07005	2.9
119.08582	32.9
121.10137	8.9
123.04453	1.9
123.08051	4.5
129.99503	8.6
131.08534	2.0
132.95836	9.2
133.10117	29.9
134.99666	2.6
135.11687	20.4
136.07684	1.6
137.09637	4.5
137.13226	11.2
138.06714	1.9
141.05521	2.4
141.06966	4.0
141.09088	2.5
146.02391	1.8
146.99644	1.9
150.96884	49.5
151.03928	2.5
153.06943	1.6
155.02823	1.8
155.08549	5.0
155.97423	10.2
158.99583	2.1
161.09619	2.2
161.13252	42.5
168.97957	3.3
169.10092	1.7
173.98479	22.2
174.96962	1.9
176.03410	3.3
177.00685	2.9
179.10664	10.0
179.14265	19.0
180.02966	2.2
185.03955	3.0
197.00185	2.4
197.09659	2.9
197.11749	4.5
197.13303	4.4
197.15388	10.7
198.07535	1.7
198.14777	2.5
198.18520	67.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1172
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
55.01861	1.8
55.05504	5.1
55.93502	1.1
56.96568	1.6
57.03436	0.9
57.07065	1.2
59.04983	1.1
59.34224	0.7
59.66045	0.8
61.02909	1.4
62.67223	0.8
65.03937	2.6
67.05496	5.7
69.03426	1.2
69.06719	1.6
69.07066	25.1
70.07820	3.1
70.95862	23.1
71.59507	2.2
72.08152	1.3
72.93789	15.5
73.02911	1.4
76.51015	0.9
79.05496	7.4
81.03388	2.0
81.07053	9.4
83.04973	1.3
87.04446	1.1
88.96891	7.1
90.94815	3.2
91.05477	56.2
93.07043	18.9
93.61600	0.9
95.04977	4.3
95.08605	6.0
97.06504	2.4
98.97581	8.2
99.00008	2.1
105.03337	1.1
105.07027	31.1
106.97955	1.4
107.04899	1.1
107.08591	100.0
108.08963	1.5
109.06506	5.0
109.10154	5.6
110.15334	1.0
111.04401	1.4
111.98476	19.0
113.08263	4.4
113.96411	2.4
114.73015	0.9
114.94812	1.0
115.05479	0.9
116.98624	5.8
117.06948	1.4
118.07816	1.0
119.04943	1.9
119.06065	1.2
119.08580	14.4
121.06470	2.0
121.10144	13.7
123.04410	1.0
123.08048	3.5
123.11683	1.8
125.05981	6.8
126.99425	2.9
127.03952	1.4
129.00990	4.1
129.99507	16.5
131.00150	2.5
131.08533	3.4
131.68353	0.8
131.97409	2.6
132.95833	20.6
133.10126	58.5
134.99631	2.9
135.11685	4.4
137.05971	10.1
137.08195	2.0
137.09596	4.3
138.06636	1.3
139.07523	3.5
141.01042	4.3
143.08530	3.7
146.07266	1.3
149.01216	3.3
149.09627	10.7
150.96886	76.0
151.03824	1.3
151.07535	3.0
151.11180	18.7
153.01010	1.5
155.02608	1.9
155.09273	1.9
155.97417	24.3
158.99629	1.4
161.09610	18.3
167.10674	28.1
168.97916	3.1
173.98492	44.3
174.98856	1.3
177.00719	4.3
179.10663	41.6
191.02299	3.4
191.99590	1.1
192.97878	0.9
197.00079	2.9
197.05791	1.5
197.07341	3.5
197.11719	49.0
198.18521	2.9
202.98569	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03940	1.9
55.01866	1.6
55.05490	3.9
55.93515	1.9
56.96548	2.1
57.03418	0.9
57.07069	1.7
59.04999	2.0
59.65900	1.0
64.86957	0.9
65.03951	1.0
67.05505	5.2
68.00708	0.9
69.03427	1.5
69.06710	1.8
69.07062	22.0
70.07858	1.1
70.95862	30.3
71.04950	1.0
71.06200	2.9
72.93786	18.2
76.73832	1.0
79.05482	6.9
81.07050	6.5
83.05000	1.4
88.96912	5.7
90.94824	6.5
91.05485	18.0
93.07038	21.9
93.88129	0.9
95.04971	9.1
95.08588	1.6
99.00034	1.4
105.07029	29.9
107.08591	63.1
108.95903	1.2
109.06522	6.1
109.10172	5.9
111.09027	1.0
111.98469	26.2
113.08215	2.0
113.96372	5.2
114.94785	1.8
119.04963	2.9
119.06058	1.1
119.08575	6.5
121.06483	4.0
121.10131	1.6
123.04432	3.9
123.08089	1.5
123.11683	3.0
125.06000	1.7
126.99507	1.3
129.01044	3.0
129.99501	23.4
131.08575	1.9
131.97401	1.6
132.94826	2.3
132.95831	35.6
133.10126	63.3
135.08044	1.2
135.11682	46.0
137.05994	3.4
137.09621	5.2
138.06747	1.1
141.01042	3.1
143.08492	1.3
146.07243	1.9
150.96884	100.0
151.03847	1.4
151.11130	4.3
155.09296	2.4
155.97420	31.0
161.09622	29.2
168.98019	4.8
173.98486	69.5
174.99014	1.8
179.10667	89.3
180.11105	1.3
191.99524	1.3
193.00249	3.1
197.00102	3.4
197.07277	3.8
197.11726	54.0
198.18513	1.7
198.58939	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1171
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03950	1.1
55.01869	0.9
55.05505	3.4
56.96567	1.0
57.07081	1.0
59.04997	3.1
60.29518	0.6
65.03951	0.7
67.05502	5.6
69.03415	1.0
69.07074	1.9
69.48865	5.1
70.95857	8.6
71.01377	0.7
71.04974	1.1
72.93783	3.4
73.02894	0.6
79.05493	7.7
81.03418	1.2
81.07056	7.5
83.04979	0.8
85.06538	1.0
88.96912	1.3
90.94820	1.0
91.05476	20.4
93.07040	25.5
95.04970	9.4
95.08595	2.7
103.56155	0.7
105.07023	38.4
106.07327	0.8
107.04935	1.2
107.08588	68.5
109.06509	6.9
109.10135	6.1
111.98466	6.6
113.05978	0.7
113.96414	0.9
116.28269	0.6
117.07021	1.5
118.07786	1.1
119.01946	1.5
119.04932	2.3
119.06046	1.0
119.08575	7.9
120.09329	0.6
121.06475	5.5
121.10153	1.3
123.04446	3.9
123.08052	1.3
123.11691	3.7
128.01466	0.7
129.99503	4.9
131.08539	3.3
132.95833	8.1
133.10121	70.5
134.10521	1.1
135.08046	2.1
135.11684	55.7
137.05989	2.6
137.09616	6.2
141.05437	0.7
143.01872	0.7
143.08589	1.5
146.07242	1.8
150.96884	22.9
151.03902	0.9
151.11172	6.3
155.97403	6.7
161.02910	0.7
161.09615	34.2
162.09901	0.7
168.97958	0.8
173.98474	14.5
175.34311	0.6
179.10660	100.0
180.10948	1.2
197.00076	1.1
197.11717	69.2
198.18590	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.5
55.05513	0.7
56.05037	3.6
56.96550	0.9
57.07069	0.8
58.95411	0.6
58.99854	0.7
67.05482	0.8
68.05029	0.5
68.10580	0.4
69.03421	1.2
69.04533	0.4
69.07053	1.9
70.02933	0.5
70.06573	1.6
70.21832	1.8
70.22171	0.4
70.95863	3.5
71.05022	0.7
71.06106	1.2
72.04549	0.5
72.08106	0.5
72.60313	0.4
72.93783	2.7
77.00906	1.2
79.05493	0.6
81.03391	0.4
81.07056	1.1
82.99862	0.5
83.06074	0.8
83.08621	0.6
84.08119	0.4
85.60203	0.4
88.96890	1.4
90.94799	0.7
91.05470	1.0
93.07034	1.0
95.01937	0.7
95.04973	0.9
95.06082	1.0
95.08601	0.6
96.05584	0.6
97.02896	1.1
97.03845	0.6
97.06512	1.2
97.07633	0.8
100.02470	1.4
101.00863	3.2
105.07024	1.1
107.08596	1.9
110.00886	0.4
110.07106	0.5
111.98461	2.3
113.08251	9.5
114.04067	1.4
116.98618	0.6
118.03514	3.5
119.01920	37.5
119.08598	0.5
120.01987	1.2
121.01662	1.6
129.03963	0.6
129.99530	3.7
130.03513	1.7
131.01889	1.6
132.05067	31.8
132.95813	2.8
133.03461	1.0
133.05269	1.0
133.10083	2.0
134.02988	0.8
134.99698	1.3
135.11688	0.9
136.04535	1.7
137.02960	30.2
137.08218	2.4
137.09560	0.8
138.03001	0.8
138.06664	0.5
139.02667	0.8
141.06828	0.5
142.03529	2.4
144.05013	0.5
145.03465	1.3
147.03784	8.6
147.04990	1.0
148.04515	1.3
150.06120	39.7
150.96889	13.6
151.04550	0.5
151.06300	0.8
152.03891	0.5
153.00829	1.0
154.90779	0.8
155.03044	1.3
155.06659	1.5
155.09261	3.9
155.97379	3.1
156.05032	4.6
156.97504	1.0
157.03432	0.6
158.03015	0.7
159.06285	0.5
160.04547	1.9
161.02937	0.6
161.09557	0.6
162.04234	0.6
163.04475	0.8
165.04834	7.5
168.97951	1.2
173.02943	2.6
173.04204	4.9
173.07730	1.7
173.98502	8.0
174.03038	2.2
174.06122	100.0
174.98553	2.3
175.06337	3.0
176.04021	1.2
177.01010	0.8
179.09256	2.0
179.10692	2.5
179.98129	0.9
186.05243	0.9
187.04468	0.8
188.03992	0.7
188.07816	0.6
191.05328	3.1
192.07170	38.1
193.07320	0.6
196.05736	0.7
196.91760	0.6
197.00467	2.8
197.04166	1.6
197.06230	0.7
197.07802	7.6
197.10263	1.0
197.11748	1.0
197.13463	0.5
197.17250	0.5
197.99174	1.6
198.18579	2.3
214.95624	0.9
215.01816	2.5
215.05162	1.9
215.07195	0.6
215.08958	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0817
Annotation	2-Amino-2-deoxy-D-gluconate
Peak:m/z	Relative Intensity
51.44839	1.0
53.03936	1.5
55.01876	11.2
55.05499	3.3
56.05019	4.6
56.96566	8.2
57.03436	13.5
58.99860	1.7
59.05000	1.7
60.04526	9.0
61.02927	18.7
62.82552	1.2
67.05491	1.9
68.05035	6.1
69.03432	19.5
70.02945	2.4
70.06586	9.7
70.95852	1.3
71.01339	4.4
71.04979	2.5
72.04533	6.1
72.08158	1.3
72.93795	2.8
73.02549	1.6
73.02918	16.3
77.00885	1.7
80.05009	3.2
81.03413	8.2
81.07042	1.3
82.06556	1.3
83.01372	1.4
83.06131	1.3
84.04507	7.7
84.08141	7.8
85.02429	1.6
85.02908	18.9
85.05265	4.4
86.06049	7.7
87.04453	4.6
91.05492	1.5
94.06546	2.6
95.01911	2.1
95.04977	1.5
95.08593	1.6
96.04491	12.7
96.08113	1.3
97.02888	29.0
98.06043	7.1
98.97605	1.4
99.00813	9.0
99.04454	3.9
100.02483	1.5
101.00862	2.9
102.05561	3.3
103.03932	3.1
106.06584	1.3
107.04951	5.0
109.02857	2.0
110.06019	1.6
111.98479	2.1
112.11224	4.1
113.00862	1.3
113.02387	2.9
114.05530	18.5
115.02435	1.4
115.03916	13.0
116.03436	1.2
118.03506	5.1
119.01916	23.4
120.02012	1.2
122.06024	3.5
123.01330	1.1
124.03954	6.6
124.07581	2.1
125.02353	44.6
126.95496	1.8
128.02332	1.5
129.04071	1.4
129.05048	2.6
129.30127	1.3
131.01910	22.4
132.06543	19.1
132.95844	2.6
133.03441	4.9
133.04971	23.9
134.06056	1.7
135.54553	1.1
136.04683	5.9
136.07570	3.5
137.02968	6.4
141.05141	1.4
142.04984	2.7
143.01843	1.8
143.03372	2.4
145.03452	4.5
145.04613	3.0
146.99637	2.8
147.03290	2.9
147.05011	4.2
147.06178	2.9
149.02959	9.5
150.05511	5.8
150.09126	2.8
150.96878	7.0
154.03551	1.7
154.08624	1.7
155.01886	9.4
155.97414	1.8
157.03531	1.4
160.06039	5.9
161.02942	4.0
161.04443	8.2
163.04601	1.7
165.04245	1.7
168.06535	1.3
173.01384	2.1
173.02940	38.4
173.98495	3.7
174.03099	1.8
175.04547	1.5
178.07112	100.0
178.08452	3.6
179.05460	1.8
181.97919	1.3
190.96291	1.5
191.03938	10.1
196.04561	9.9
196.06102	6.9
196.08162	51.9
196.09686	3.3
196.16913	3.8
196.18367	2.0
214.05545	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	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03932	3.7
55.01869	4.4
55.05507	14.5
56.96564	20.9
57.03435	4.6
57.07067	2.7
61.93826	0.8
65.03925	3.0
67.05500	49.3
67.99008	0.8
68.96348	1.4
69.03423	2.7
69.07063	11.9
69.96169	2.7
70.04069	1.1
70.71975	3.0
71.01334	1.2
71.04982	6.4
71.95250	2.8
72.96009	1.0
73.02894	1.2
77.03918	1.2
79.05484	37.5
81.03412	12.6
81.07050	100.0
82.07404	1.3
83.04973	12.7
83.08616	8.3
85.02872	1.9
85.06533	4.5
86.97366	1.2
87.04497	0.8
89.03908	2.3
89.06017	1.9
91.05474	26.0
93.07037	58.8
94.07359	1.0
95.04970	9.6
95.08598	38.3
96.08942	1.0
97.06525	11.2
101.05983	1.3
103.05471	1.2
105.04502	0.9
105.07030	9.8
106.06546	3.1
107.04953	3.7
107.07858	1.6
107.08581	24.3
107.09280	1.5
109.06532	3.8
109.10140	3.3
109.98959	1.5
111.08086	4.3
113.96426	1.0
117.03387	2.7
117.07011	9.9
119.08589	3.6
121.06513	6.6
121.10138	9.1
123.01123	1.1
123.08055	1.8
123.11707	1.0
125.01560	1.7
125.06031	1.6
125.09618	1.1
126.01875	2.4
127.01251	3.8
127.99968	1.3
128.98572	1.1
129.07043	1.0
130.96327	1.4
131.06026	1.5
131.08542	9.8
131.96155	5.2
131.97296	0.8
132.06769	1.3
133.07181	0.9
133.08632	0.9
133.10124	14.7
135.08055	6.2
135.11682	30.2
135.12706	1.9
136.12064	1.6
137.09631	1.2
138.06642	1.3
139.07568	1.2
140.03397	1.6
140.20401	0.9
141.02838	2.9
144.06177	1.2
145.02914	5.5
147.11549	1.0
148.97357	6.7
149.06064	1.9
149.07109	1.3
149.09608	2.0
149.13246	16.0
149.97194	15.5
151.11206	1.1
153.09137	3.3
153.97908	1.5
154.02354	2.4
154.97678	1.9
155.03835	1.4
159.11671	16.0
163.03905	2.7
165.07019	3.4
166.07848	1.0
166.98378	0.8
167.08557	1.5
167.98293	3.2
168.04027	1.4
169.03401	1.7
171.03391	1.1
171.98958	4.9
172.98865	5.1
173.05051	1.0
173.06567	2.1
177.05470	7.9
177.09097	2.0
177.12714	13.2
180.09323	2.4
189.04337	2.1
190.04681	2.8
194.93484	1.8
195.05135	40.5
195.08110	2.0
195.10094	1.4
195.11707	6.9
195.13821	16.0
195.15570	1.2
196.04483	58.1
196.16957	1.1
213.07932	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	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03934	6.0
55.01865	5.7
55.05506	25.1
56.96568	7.0
57.03432	6.9
57.07070	2.0
65.03932	2.5
67.05503	73.4
68.05828	1.8
69.03442	2.4
69.06718	1.5
69.07067	16.6
71.01331	1.3
71.04990	5.7
71.21082	1.6
77.03899	1.2
79.05491	59.2
80.05840	1.4
81.03419	17.8
81.07053	100.0
83.04982	33.5
83.08614	7.7
85.06525	4.8
91.05478	35.9
93.07041	82.3
94.07340	2.1
95.04968	12.4
95.08604	49.3
95.16409	1.0
96.88496	0.9
97.06532	16.7
99.08074	1.5
103.05450	1.5
105.04517	1.4
105.07018	17.7
107.04923	2.3
107.08588	28.7
108.08916	1.0
109.06525	6.3
109.10151	4.3
110.05841	1.0
111.08096	4.9
115.05423	1.9
117.07029	15.9
119.08577	4.8
121.06499	7.5
121.10139	7.8
123.08039	3.0
123.11696	1.1
129.00563	1.0
131.00169	2.0
131.08563	16.9
133.10130	15.4
134.48351	1.1
135.08073	5.5
135.10683	2.1
135.11685	31.9
138.06567	1.4
147.11667	1.2
149.01222	3.2
149.09593	1.7
149.13255	13.1
151.11153	2.0
159.11668	17.2
167.02261	1.5
177.12759	12.9
195.02953	1.2
195.08780	1.1
195.13812	19.2
195.15504	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03940	4.9
55.01862	3.2
55.05500	8.8
56.96565	10.7
57.03437	2.8
57.07074	15.8
61.02914	3.7
65.03938	1.5
67.05500	17.5
69.03431	2.4
69.07061	10.7
70.06577	3.1
70.83443	0.9
71.01365	1.1
71.04974	2.3
71.08628	0.9
71.38699	1.1
71.39019	1.1
72.08171	1.4
74.62664	1.2
77.03920	1.3
79.05489	100.0
80.05035	1.4
80.05811	1.9
81.03416	3.6
81.07051	24.2
83.04975	27.3
83.08611	2.1
84.08147	9.1
85.06552	1.4
89.06004	2.6
91.05481	21.1
93.07038	98.6
94.06559	1.7
94.07341	1.4
95.04969	10.7
95.08608	12.0
97.06532	17.4
98.09682	2.4
105.04524	1.8
105.07018	6.3
107.04961	9.3
107.08588	42.0
108.08100	7.1
108.08774	1.3
109.06495	1.9
109.10138	3.3
110.07153	1.9
111.08076	3.0
112.11234	1.6
117.03382	1.3
117.07005	2.9
119.08580	2.2
121.06514	7.7
121.10141	6.5
121.94763	1.0
123.08059	1.6
125.05994	22.6
131.08560	3.7
131.61798	1.6
133.10130	12.9
134.04922	2.3
134.06017	0.9
135.08070	5.6
135.11685	84.4
136.12036	2.2
137.13213	1.0
138.06654	3.4
139.07544	9.8
145.02811	1.3
147.03264	1.2
148.97359	3.9
149.05981	4.3
149.09587	3.4
149.10718	1.5
149.13242	12.2
149.97212	2.5
153.09125	1.6
153.12747	6.2
159.11678	4.7
163.04062	1.1
166.98502	1.1
167.08562	1.6
171.98924	2.1
174.08028	3.5
177.05438	1.7
177.09138	3.8
177.12755	9.1
177.16345	1.5
183.08511	2.5
192.15549	1.0
194.65166	5.8
195.02850	2.4
195.08525	4.8
195.10193	1.7
195.11755	1.4
195.13803	5.5
195.15483	3.5
195.17317	1.0
196.17064	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.02394	1.2
53.03931	5.4
54.65236	1.3
55.01861	3.8
55.05511	20.9
56.96336	1.6
56.96569	16.6
57.03433	6.2
57.07066	4.1
65.03932	3.1
67.05504	62.3
69.03427	2.9
69.07067	16.6
70.06584	2.8
70.19978	6.1
71.01372	1.6
71.05000	7.6
71.05314	1.0
71.95253	1.7
71.99092	1.2
79.05489	43.9
81.03433	11.4
81.07054	100.0
82.07376	1.9
83.04977	22.7
83.08611	6.7
84.08134	8.1
85.02918	1.9
85.06545	2.7
89.06020	3.3
91.05479	34.8
93.07043	57.7
93.07635	3.2
95.04967	14.2
95.08605	45.9
97.06534	13.2
98.09686	1.6
98.20666	1.6
99.08098	1.8
101.81491	1.3
102.77359	1.3
103.05482	1.6
105.07021	14.7
107.04929	4.2
107.08590	29.0
108.08104	5.4
109.06506	5.5
109.10139	4.9
110.30560	1.5
111.08066	5.3
112.11260	1.7
113.05960	1.5
117.07021	12.3
119.08566	4.5
121.03535	1.6
121.06477	5.0
121.10146	11.5
125.09621	1.8
127.99932	1.8
131.08568	13.6
131.61833	2.5
131.96162	2.1
133.10146	12.7
135.08052	4.8
135.10699	1.8
135.11687	30.4
137.13237	1.9
138.06615	5.0
139.07561	1.8
145.02859	1.7
148.97357	4.4
149.09583	4.8
149.13264	12.4
149.97194	9.4
151.11203	1.4
155.03781	1.5
159.11671	15.0
165.06966	3.6
167.08528	4.3
171.98950	3.6
172.98808	3.0
177.09125	2.8
177.12729	10.6
177.16405	2.2
180.09254	1.9
183.08543	1.6
193.09793	1.9
194.65187	11.9
195.02861	4.5
195.08607	4.8
195.11673	4.4
195.13782	14.2
195.15561	4.2
196.16931	2.0
213.08015	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	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
50.64167	1.0
53.03947	6.6
55.01859	3.8
55.05266	1.6
55.05510	21.4
56.09079	1.0
56.96548	3.4
57.03421	4.8
57.07081	1.6
65.03931	1.9
66.71969	1.0
67.05502	62.5
68.05833	1.1
69.03419	3.2
69.07066	19.4
70.05084	3.3
70.05481	1.9
71.01354	3.0
71.04993	7.3
79.05489	47.9
81.03412	17.0
81.07055	100.0
82.07359	1.7
83.04980	13.6
83.08611	11.2
85.02892	1.9
85.06519	4.6
91.05474	47.5
93.07040	71.7
94.07394	1.6
95.04961	9.2
95.08603	41.2
97.06522	11.5
97.10125	1.3
98.27248	1.1
99.04402	1.3
99.08072	2.4
100.04202	1.1
105.07037	14.8
107.04955	1.7
107.08590	32.7
109.06520	3.8
109.10142	3.8
111.08057	3.9
117.07005	14.6
119.08549	3.4
121.06520	6.8
121.10147	8.9
123.08022	2.0
123.11695	3.6
131.08568	11.9
133.10124	25.2
134.10451	1.3
135.08078	4.9
135.11690	37.2
149.09555	1.2
149.13254	16.7
151.11166	4.1
159.11688	15.2
166.24451	1.2
177.12737	11.1
194.45572	1.2
195.13802	14.3
196.20375	1.2
213.07863	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03944	4.5
55.01875	3.3
55.05511	15.4
56.96572	4.3
57.03447	3.6
62.72873	1.8
65.03917	2.8
67.05506	71.9
67.48968	2.2
69.03455	2.7
69.07069	17.1
69.49239	3.7
69.49650	11.5
71.04993	6.8
71.89957	1.8
79.05495	42.5
81.03420	6.6
81.07059	100.0
83.04981	8.1
83.08622	10.0
84.08152	4.8
85.06516	4.4
91.05488	26.6
92.32825	1.7
93.07046	67.7
95.04972	7.7
95.08604	46.2
97.06532	20.3
97.10204	2.9
105.07043	11.8
107.04942	2.4
107.08595	32.3
108.08111	4.5
109.06516	4.6
109.10159	5.2
109.61402	1.7
111.08070	8.0
117.07027	7.7
119.08612	4.4
121.06528	5.5
121.10163	8.0
123.08053	3.2
123.15083	2.1
123.67867	1.7
131.08577	12.9
133.10138	14.2
135.08060	5.1
135.11690	48.9
148.97321	1.8
149.09676	3.7
149.13277	21.3
149.97208	2.7
151.11191	5.1
159.11674	23.0
171.69836	1.9
177.12764	20.0
194.65187	4.8
195.02980	2.3
195.05112	5.3
195.08635	3.6
195.13820	19.2
195.15390	3.1
196.04549	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	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03942	5.9
55.01859	6.8
55.05511	26.7
56.96563	45.3
57.03428	7.2
57.07069	6.7
65.03928	3.9
66.41020	2.4
67.05505	77.0
69.03426	3.9
69.07062	18.3
70.06563	3.2
71.04989	7.9
71.59343	3.6
79.05489	71.2
80.05005	6.1
80.05811	2.3
81.03416	21.7
81.07053	100.0
81.61591	1.9
83.04974	32.0
83.08606	12.8
84.08155	3.4
85.06516	4.9
89.06053	3.0
91.05470	44.1
93.07040	93.4
93.07633	5.0
95.04969	15.3
95.08607	52.3
97.06526	21.6
97.10169	1.9
98.97577	2.8
103.05442	2.6
105.07014	22.2
106.06628	2.1
107.04969	5.0
107.08589	33.4
108.08130	2.5
109.06503	8.7
109.10138	5.8
111.08071	6.7
112.99165	2.2
117.03434	1.9
117.07005	18.0
117.28551	2.1
119.08585	11.5
121.03471	2.0
121.06512	7.9
121.10125	15.0
123.08098	2.8
129.06949	2.3
131.00171	6.6
131.08586	20.8
133.10120	22.9
133.92018	2.0
135.08087	7.6
135.11694	38.7
136.03912	1.9
138.06624	5.1
147.11687	3.0
148.97379	4.5
149.01227	25.3
149.05962	2.2
149.09615	3.1
149.13281	15.2
149.97229	3.2
159.11684	17.4
167.02301	8.1
167.06996	2.3
172.98875	3.8
177.08961	2.3
177.12764	11.4
177.16428	2.2
178.04913	2.8
185.10075	4.1
189.04425	2.1
190.96411	2.5
194.65190	3.3
195.08609	6.0
195.10178	3.0
195.13797	28.4
195.15599	5.2
196.06131	3.2
196.09711	2.2
196.16995	3.6
213.08034	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	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03941	4.8
55.01870	4.6
55.05514	25.3
57.03428	5.3
57.07069	5.0
59.04988	2.3
61.58667	2.0
65.03922	4.0
67.05506	60.5
68.81152	2.2
69.03452	2.2
69.07071	19.2
69.98586	10.8
71.04984	8.2
79.05495	59.4
81.03426	30.5
81.06586	4.8
81.07061	91.9
82.07409	4.3
83.04987	23.0
83.08615	7.9
84.08133	3.5
85.06532	4.3
89.06017	2.7
91.05484	46.9
93.07048	100.0
95.04981	14.8
95.08055	3.4
95.08612	44.7
97.06538	14.9
99.08079	3.8
105.07053	17.6
107.04948	5.0
107.08605	50.7
109.06514	15.2
109.10141	5.7
111.08083	10.0
117.07024	14.0
119.08572	5.9
121.06499	13.9
121.10139	13.5
123.07956	2.2
125.05924	2.2
125.09657	3.4
131.08569	13.7
133.10150	17.5
135.08051	8.7
135.11690	63.2
137.05986	8.3
137.09592	2.8
138.06627	5.4
139.07555	18.7
144.09312	2.5
145.10130	5.1
149.09602	2.9
149.13306	13.0
149.97238	4.4
151.11168	3.1
152.08301	4.4
152.11996	3.7
153.09091	2.7
159.11690	17.3
163.11205	9.8
167.14288	3.3
177.09190	2.2
177.12770	12.0
194.65244	3.6
195.08752	3.3
195.12001	3.8
195.13820	78.3
195.15515	3.4
196.16916	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	195.1378
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03934	3.0
55.01859	2.8
55.05507	15.1
56.96562	1.3
57.03424	2.8
57.07055	1.8
65.03941	2.9
67.05500	46.6
68.96331	3.0
69.03416	1.9
69.07063	11.4
70.66306	3.3
70.94266	1.3
71.01357	2.0
71.04989	5.1
73.02890	1.4
79.05486	39.9
81.03408	11.2
81.07051	100.0
82.07388	2.4
83.04965	7.8
83.08628	8.4
85.06532	3.8
89.03912	1.1
89.23808	1.0
89.86600	1.0
89.93610	1.0
91.05473	34.8
93.07036	61.6
95.04974	6.2
95.08601	39.4
97.06524	9.4
99.08077	1.5
105.07026	12.4
107.04947	2.2
107.08589	25.0
109.06528	4.5
109.10178	2.5
109.98891	2.0
111.08073	3.8
113.06025	1.2
117.03359	1.5
117.07011	11.2
119.08571	3.7
121.06505	6.0
121.10135	8.1
122.46152	0.9
123.11687	1.2
125.06001	1.9
127.69683	0.9
127.99976	1.7
130.96315	2.9
131.08540	12.2
133.10127	23.9
134.10420	1.0
135.08046	3.6
135.11681	35.9
136.08618	1.2
138.46771	1.0
139.07578	1.0
145.02835	3.7
148.97348	6.3
149.09615	2.5
149.13254	16.3
149.97189	4.0
151.11192	2.9
153.09088	1.0
153.97914	1.8
159.11673	16.7
163.03848	0.9
171.98936	4.5
177.05496	5.4
177.12762	11.0
195.13814	15.9
196.04562	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03933	4.9
54.72812	1.3
55.01855	4.4
55.05507	15.3
56.96558	8.2
57.03427	5.6
57.07066	2.3
59.89945	1.3
65.03917	2.2
67.05499	61.1
68.96341	3.4
69.03447	1.8
69.07062	16.0
70.13963	6.9
71.01363	2.8
71.04994	6.3
71.62275	1.2
72.93786	1.5
73.02916	1.5
79.05490	43.7
81.03423	14.7
81.07053	100.0
82.07386	1.6
83.04963	11.2
83.08618	8.4
85.02922	1.6
85.06544	3.7
86.97410	1.5
87.04452	1.3
87.26960	1.3
89.05991	2.1
91.05476	27.6
93.07037	69.3
95.04976	7.4
95.08606	43.5
97.06524	13.9
98.20801	1.4
99.08084	3.5
101.05898	1.4
105.07017	12.8
107.04963	2.8
107.08590	28.5
109.06542	6.7
109.10114	4.6
109.98960	2.3
111.08043	6.4
113.09636	1.7
117.07013	13.6
119.08570	3.4
121.06487	8.7
121.10107	8.5
123.08032	2.6
125.06027	1.3
128.00014	2.4
129.07001	1.6
130.96309	4.6
131.08559	14.7
131.96117	2.0
133.10126	17.8
135.08061	4.3
135.11688	39.4
145.02850	1.2
148.97354	12.1
149.09573	1.8
149.13245	24.0
149.97212	8.6
151.11102	2.9
153.97861	5.4
158.95779	3.6
159.11684	18.3
171.98943	8.3
172.98848	3.7
177.05463	5.4
177.12747	18.5
194.93436	21.4
195.06560	1.7
195.11884	2.9
195.13765	18.3
213.08015	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03945	3.3
53.82763	0.8
55.01874	5.5
55.05513	27.1
56.96292	1.9
56.96567	34.5
57.03450	5.5
57.07076	5.7
65.03944	3.2
67.05505	70.0
68.05829	1.5
69.03421	2.6
69.07067	27.4
69.31599	4.3
69.32036	4.5
70.06595	1.5
71.01344	1.2
71.04975	6.5
71.08614	1.2
71.95271	1.6
73.02927	1.5
77.03953	1.0
79.05495	50.4
80.05039	1.9
80.05834	1.0
81.03416	16.9
81.07057	100.0
83.04976	11.9
83.08612	10.5
84.08145	4.1
85.02923	1.0
85.06541	4.4
87.04449	1.6
88.01810	1.6
89.06026	1.5
91.05484	41.5
93.07042	67.7
95.02597	1.1
95.04964	13.1
95.08611	45.3
97.02347	2.8
97.06541	14.0
97.10207	1.4
97.96779	1.1
105.04522	1.5
105.07028	15.9
107.02573	1.3
107.05005	1.9
107.08597	30.8
108.08106	2.6
109.02334	1.3
109.06546	4.4
109.10168	5.2
110.07172	1.1
111.08085	5.4
113.05990	1.5
114.03362	1.2
114.69765	0.9
115.97854	1.0
116.03116	1.0
117.07022	14.7
119.08600	4.2
121.06501	6.7
121.10148	11.1
123.03889	3.1
123.08102	2.6
123.11720	2.9
125.06038	1.2
129.68645	0.9
131.08578	13.8
131.61752	1.4
133.10133	23.1
135.05658	2.1
135.08047	7.0
135.11690	35.7
136.06474	0.9
136.12032	0.9
138.06613	1.5
139.08546	0.9
139.11197	1.1
140.04871	1.6
141.07544	1.2
144.06219	2.9
146.99681	1.5
148.97371	2.5
149.05466	1.5
149.07143	1.1
149.09622	3.0
149.13261	16.9
149.97232	3.9
151.11191	3.6
152.06003	1.3
153.09193	1.4
154.97826	1.0
155.03758	1.1
157.01773	1.3
157.10146	1.1
158.06004	1.1
159.11696	16.7
161.01244	1.3
162.09897	2.4
163.03951	1.5
163.07018	1.1
167.07059	0.9
167.08630	1.7
169.56705	1.1
170.09578	1.3
171.10419	2.5
172.98889	2.1
173.05045	1.0
175.02852	1.8
175.08795	2.5
177.09163	2.0
177.12750	11.4
177.16338	1.0
184.09328	1.8
185.01202	1.1
185.04935	1.1
187.02780	1.7
189.04416	1.3
193.03889	1.2
194.65146	4.9
195.02948	1.0
195.08629	3.2
195.10236	1.9
195.11850	1.5
195.13817	13.2
195.15453	1.6
196.17093	1.7
203.05908	2.5
213.08014	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03939	2.9
55.01867	3.3
55.05507	17.6
55.31501	0.9
56.96564	15.5
57.03435	5.5
57.07072	2.4
57.07347	0.8
65.03925	2.7
67.05499	57.0
68.05013	0.9
68.05834	0.9
68.96328	2.2
68.99766	1.2
69.03423	3.3
69.06711	1.7
69.07061	17.9
69.56729	5.9
69.96181	1.6
70.06564	1.0
70.94221	1.8
71.01348	1.5
71.04985	5.9
71.95236	1.2
73.02894	1.2
77.00896	2.1
77.03899	0.9
78.77255	1.0
79.05486	41.7
80.05824	1.3
81.03411	8.6
81.07049	100.0
83.03832	0.9
83.04973	9.6
83.08613	10.5
84.52304	0.9
85.02869	1.1
85.06536	3.4
87.04453	1.2
89.03952	1.2
89.06027	3.8
91.05472	23.9
93.07034	62.3
94.07347	1.5
95.01961	1.5
95.04970	7.9
95.08596	42.1
96.08907	1.1
97.06516	11.8
97.10131	1.2
98.20702	1.0
103.05474	1.4
104.39378	0.9
105.04533	1.5
105.07016	11.5
106.06548	3.6
107.04946	4.0
107.08585	29.3
107.09289	2.0
108.04287	0.9
109.06500	5.8
109.10142	5.5
109.98952	2.4
111.04432	1.6
111.08056	6.0
113.05942	1.2
113.09655	1.1
115.05404	1.4
116.06299	0.9
117.03387	3.0
117.07008	11.7
117.10815	1.0
119.08581	3.7
121.00340	0.9
121.06499	5.5
121.10137	10.0
123.08069	1.8
123.11669	1.1
125.09623	1.0
127.01247	1.6
127.99968	1.6
129.07014	2.6
130.07758	0.9
130.96300	2.8
131.08554	11.3
131.96129	4.3
133.06395	0.9
133.10112	14.0
135.04453	2.1
135.08057	5.5
135.11681	32.1
136.12074	1.2
137.09615	1.5
139.07542	1.0
145.02827	5.9
145.10088	1.0
148.97325	7.8
149.01256	0.9
149.06030	2.1
149.07130	1.5
149.09613	2.8
149.13245	20.3
149.97176	16.6
151.11148	2.2
153.09111	2.3
153.97905	3.3
154.97740	2.7
159.11676	16.0
160.07852	1.0
160.12053	1.2
163.03909	2.4
165.07048	4.1
167.08603	2.0
167.98309	2.7
171.98860	4.5
172.98776	7.7
174.07988	2.8
177.05431	8.3
177.09169	1.1
177.12741	15.0
179.08549	0.9
180.09325	3.1
184.09242	1.0
185.04897	1.0
194.93393	1.0
195.05109	2.0
195.06679	1.0
195.08684	2.1
195.10143	1.8
195.11708	11.1
195.13817	14.8
195.15494	1.3
196.04492	2.3
196.16962	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.01867	1.1
55.05505	2.5
56.96568	1.9
57.03436	0.4
57.07059	2.2
65.03933	0.7
67.05499	7.9
68.05032	0.5
68.96332	0.7
68.99786	62.9
69.03420	2.0
69.07068	4.5
69.96133	0.4
70.27625	1.5
70.27995	0.7
70.94230	0.4
71.01372	0.4
71.04984	1.6
76.18043	0.4
79.05487	6.5
81.03416	1.8
81.07050	11.5
83.04974	4.9
83.08604	2.7
85.02881	0.6
85.10178	19.9
89.03911	1.3
89.05995	0.9
89.91019	0.4
91.05470	4.8
93.07043	7.5
95.04965	2.2
95.08606	4.1
97.06520	3.8
97.10179	0.7
102.08119	0.6
105.07030	2.6
106.06516	1.2
107.04945	2.1
107.08585	17.3
109.06520	3.0
109.10159	3.0
111.04458	2.9
111.08087	2.3
117.03374	2.0
117.07045	1.1
117.44673	0.5
119.08588	0.7
121.06489	1.6
121.10121	1.9
123.08073	0.5
125.09621	34.3
126.01869	1.2
127.01268	1.3
130.96321	0.4
131.08578	2.2
131.96083	0.6
133.10100	1.9
134.03699	0.5
135.04420	1.6
135.08051	4.3
135.11697	4.4
137.06004	1.9
138.06587	0.7
141.01112	0.7
145.02832	3.0
148.97299	2.5
149.05960	1.6
149.09613	3.9
149.13232	2.0
149.97162	2.6
151.11151	0.8
153.09091	100.0
154.09474	1.9
154.97845	0.5
155.06976	1.5
159.08107	0.5
159.11661	1.6
162.06816	0.4
163.03903	1.1
165.06906	0.5
167.06998	0.4
171.98909	1.2
172.98813	1.5
177.05449	3.3
177.09048	2.0
177.12729	1.1
190.04753	0.5
195.05133	7.9
195.08345	0.9
195.10146	15.4
195.11636	0.5
195.13765	1.9
195.15535	0.9
195.17331	0.5
196.04521	7.2
196.08228	0.5
199.84486	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
52.89187	0.8
53.03949	1.2
55.01857	2.4
55.05505	1.7
56.05043	1.4
56.96558	3.3
57.03414	1.0
57.07077	1.2
62.39948	0.8
65.03957	1.7
67.05499	3.4
68.05012	1.5
69.03419	2.3
69.07064	2.4
70.06599	5.0
71.58001	1.7
72.08152	2.3
78.04724	1.2
79.05495	7.3
80.05034	2.0
81.03418	1.7
81.07069	3.9
82.06583	1.0
83.04974	1.6
83.06123	0.9
84.04518	1.3
84.08139	7.3
85.02917	1.7
86.06060	1.1
86.09692	1.6
87.04504	0.9
89.03912	28.7
89.06020	2.4
91.05468	7.5
93.03412	1.2
93.07048	5.6
93.08472	1.0
95.04980	4.2
95.08607	1.6
96.08157	0.9
97.02906	1.6
97.04118	1.2
97.06529	1.3
97.07658	1.3
99.05557	1.6
103.05482	2.1
105.07037	2.5
106.04160	1.4
107.04938	5.1
107.08572	4.2
108.04484	1.2
109.04058	0.9
109.04819	0.9
109.06486	2.0
109.10146	1.1
110.07192	1.3
111.04436	3.7
111.05588	2.1
111.09219	1.1
116.98609	0.9
117.03380	45.4
117.07014	0.9
119.04938	1.0
121.02837	1.1
121.06493	3.3
121.10103	4.3
124.05225	1.4
125.06039	1.4
125.07144	1.1
128.05992	1.0
130.06483	1.4
130.96356	1.2
131.08583	1.6
133.02863	2.4
134.03659	7.8
134.05980	0.8
134.99667	2.4
135.04424	11.9
135.08090	3.4
135.11655	1.4
136.05145	1.2
136.08650	1.3
137.05968	1.7
137.09572	0.9
138.06613	4.2
139.05020	1.4
139.07587	1.1
145.02843	87.8
148.97383	4.2
149.05991	23.5
149.07066	1.0
149.09615	3.5
149.13274	1.0
149.62160	1.1
149.97195	1.3
150.05426	1.4
151.11220	1.2
152.07050	1.1
153.05486	3.3
162.03137	2.1
163.03897	11.6
163.93701	0.8
165.05489	1.5
165.06956	0.7
166.47566	0.9
167.07072	1.2
167.08583	1.6
171.98994	2.4
177.05463	100.0
177.09076	3.9
178.04906	1.1
186.05507	3.8
186.42859	0.9
193.23874	0.8
195.02902	4.0
195.06355	2.0
195.08664	4.5
195.10205	3.0
195.12511	1.4
195.15585	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	0.5
53.03933	1.0
54.48502	0.5
55.01867	0.6
55.05507	1.0
56.05021	0.6
56.96551	0.8
57.07058	0.7
61.55999	0.4
63.02389	0.6
65.03924	1.0
65.88963	0.5
67.05472	1.2
68.05016	1.0
68.96329	0.7
69.03430	0.8
69.07053	0.9
70.06570	0.9
70.94247	0.6
71.04968	0.8
71.60046	0.9
72.08131	0.6
78.04688	1.0
79.05483	4.6
81.07053	2.3
83.04974	1.2
83.06091	0.9
84.04492	0.6
84.08126	0.5
86.97334	0.6
89.03902	27.7
89.06008	1.6
91.05475	5.6
93.03375	0.7
93.07023	3.1
95.03895	0.4
95.04960	2.3
95.06068	0.9
95.08603	1.4
97.03951	0.7
97.06505	1.3
97.07615	0.6
99.05616	0.6
103.05463	1.8
105.07015	2.2
106.04166	1.6
106.06543	1.5
107.04968	3.9
107.08613	2.2
109.06513	0.6
109.07622	0.9
110.07138	0.7
111.04418	2.5
111.05554	0.9
111.08058	1.2
111.09210	0.8
114.05468	0.5
117.03366	53.7
117.06958	0.9
119.01859	0.5
119.04920	0.9
121.02818	0.7
121.06496	2.9
121.10141	2.1
122.07140	0.7
124.05204	0.8
125.05964	2.9
125.07011	0.8
130.96294	1.5
131.08591	0.7
133.06482	0.6
134.03630	8.0
135.04407	10.3
135.08052	2.3
135.11681	1.1
136.08733	0.7
137.09616	1.1
138.06596	0.9
139.05011	0.7
139.07523	1.0
145.02827	90.5
146.03185	0.9
147.04347	0.4
148.97334	3.5
149.05963	22.9
149.09572	2.1
149.97168	1.7
150.05461	0.5
150.06627	0.6
150.08998	0.6
153.05455	3.3
153.97888	0.6
162.03117	2.5
163.03886	10.6
171.98917	1.8
177.05452	100.0
177.08937	2.1
178.05769	1.1
178.09755	0.7
186.05489	1.9
193.86592	0.5
194.88988	0.5
195.01118	0.9
195.02841	1.0
195.06563	2.3
195.08566	1.8
195.10168	1.0
195.13890	0.8
195.15739	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
50.16995	0.4
53.03941	0.8
55.01865	0.8
55.05499	0.6
56.05016	0.6
56.96556	1.9
57.03453	0.5
58.06601	0.8
63.02378	0.9
63.03780	0.6
65.03928	1.0
67.05496	0.6
68.05020	0.7
68.96344	0.6
69.03423	0.8
69.07053	0.6
69.49897	1.6
69.50326	2.1
70.06555	0.7
72.08135	0.4
78.04713	1.3
79.05476	2.7
81.03393	0.9
81.07056	0.9
83.04982	0.9
83.06126	0.6
84.08119	0.5
85.02930	0.5
89.03909	27.3
89.06029	2.9
91.05476	3.3
93.07030	1.7
95.04946	1.8
95.06070	0.6
97.03983	0.4
97.06492	0.8
98.97524	0.6
103.05470	2.2
105.03342	0.5
105.06992	0.6
106.04171	2.1
106.06542	1.6
107.04948	4.0
107.08601	1.5
109.03956	0.5
109.06487	0.8
109.07621	0.6
111.04433	1.9
111.05515	0.5
111.08083	0.6
117.03368	52.2
121.02920	0.5
121.06497	2.5
121.10105	1.1
122.07179	0.7
124.05166	1.3
125.06027	0.9
131.04900	0.8
132.04424	0.8
134.02617	0.6
134.03619	8.4
134.99644	0.5
135.04404	10.6
135.08023	1.3
135.11682	0.5
137.09628	0.7
145.02831	93.0
146.03220	0.7
148.97343	2.4
149.05965	25.5
149.09615	1.1
149.13374	0.6
149.97165	0.7
150.06491	0.6
153.05435	1.3
159.11797	0.5
162.03123	2.7
163.03896	10.1
171.98924	1.5
177.05455	100.0
178.05811	0.7
186.05518	2.0
187.02716	0.5
195.01146	0.7
195.02869	1.0
195.06415	1.4
195.08452	1.2
195.10143	1.5
195.12299	1.0
195.15865	0.6
213.00755	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	ferulic acid
Peak:m/z	Relative Intensity
53.03935	0.4
55.01864	1.0
55.05513	2.2
56.96560	1.7
57.03434	0.5
57.07073	0.5
63.02367	0.7
65.03947	1.0
67.05505	3.3
68.96310	0.8
69.03423	0.6
69.07069	5.4
69.55151	0.4
69.91306	0.3
70.94242	0.8
71.04994	1.0
71.60030	0.4
71.60428	0.4
77.03887	0.5
78.04706	1.1
79.05486	3.6
81.03400	0.8
81.07049	6.8
81.94141	0.4
82.02403	0.4
83.04979	0.6
83.08585	0.7
83.63371	0.4
84.08128	0.4
85.02905	0.4
89.03912	23.2
89.06027	1.1
91.05473	4.2
93.03395	0.8
93.07036	3.8
95.04948	1.6
95.08602	3.1
97.06516	1.2
98.97576	3.3
103.04824	0.4
103.05472	1.6
105.07017	1.2
106.04187	1.4
106.06545	0.9
107.04951	5.5
107.08588	2.2
109.06535	0.5
109.98924	0.5
111.04435	1.4
111.11724	0.9
113.54958	0.4
116.98632	2.5
117.03374	43.0
119.04965	0.6
119.08603	0.6
120.14808	0.3
121.02876	0.4
121.06496	1.7
121.08542	0.4
121.10132	1.0
122.06013	0.7
123.04451	0.4
123.08028	0.4
124.05190	0.7
125.05997	0.9
127.99989	0.6
130.96326	1.1
131.08563	0.8
133.02846	0.6
133.10138	1.0
134.03638	8.0
134.99658	1.5
135.04414	9.8
135.08049	0.8
135.11684	2.5
145.02838	77.6
146.03201	0.6
146.05988	0.9
148.97362	2.8
149.00531	0.4
149.05974	19.5
149.13245	0.8
149.97211	0.8
153.05452	2.0
153.97888	1.3
158.06042	0.6
158.99664	1.3
159.11720	0.7
162.03146	2.0
163.03886	11.4
163.08630	0.7
171.98984	1.9
172.98779	0.6
174.07237	0.5
177.00757	2.8
177.05463	100.0
177.12741	0.9
178.05878	1.0
183.07829	1.4
186.05499	1.7
195.01144	1.1
195.06409	1.3
195.08215	1.0
195.10017	0.7
195.11554	0.5
195.13872	1.0
195.15764	0.5
200.02370	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.0479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01712	0.1
52.55832	0.1
53.03930	0.2
54.43484	0.1
55.01863	0.2
55.05497	0.3
56.96548	0.4
63.92192	0.1
65.03938	0.3
67.05487	0.4
68.05814	0.2
68.12907	0.1
68.96313	0.2
69.03412	0.2
70.04073	0.3
70.94266	0.2
79.05478	0.5
80.05002	0.2
81.03412	1.4
81.07037	0.5
82.03741	0.8
82.07359	0.2
84.08094	0.1
85.10152	0.1
87.04452	0.3
89.03904	1.7
91.05465	0.2
92.05772	0.3
93.07013	0.2
94.07388	0.1
95.04930	0.7
95.06065	0.2
95.08614	0.1
96.04441	0.1
96.05283	0.5
96.08965	0.2
98.21586	0.3
98.99996	0.5
99.89024	0.1
103.05460	0.9
104.04984	0.7
105.07030	0.3
106.07301	0.1
107.04989	0.3
108.04457	0.2
109.98978	0.2
110.06033	0.2
116.04950	0.2
120.08067	0.1
120.08884	0.3
121.02852	0.6
121.06452	0.3
124.07604	0.2
125.01534	5.6
126.01891	0.2
130.06509	0.7
130.07379	0.2
130.96301	0.2
131.06041	1.6
132.06827	1.1
132.08891	0.2
134.06917	0.2
139.03090	3.7
140.00803	0.2
140.02562	0.6
143.02614	0.2
145.02780	0.3
146.97522	0.2
147.97508	0.8
148.07529	0.2
148.97325	0.8
149.05965	0.4
152.02603	8.9
152.07051	0.4
153.02081	0.4
153.09076	0.1
153.97873	0.5
157.06262	0.2
158.07176	0.8
165.03416	0.3
166.08629	0.4
167.03676	0.8
169.98903	0.1
170.99068	0.3
171.98900	0.7
176.06943	0.2
176.11609	0.1
177.05380	0.2
189.04259	0.2
194.04793	100.0
194.15257	1.1
195.05159	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03955	1.1
55.01854	1.3
55.05502	2.5
56.96555	3.9
57.03435	1.1
57.07067	0.5
59.40268	0.4
63.02370	0.8
64.20248	0.4
65.03944	0.9
67.05501	2.4
68.05019	0.9
68.96342	1.1
68.99778	0.6
69.03423	1.3
69.07061	3.8
70.11094	1.0
70.11504	1.6
71.04980	1.1
73.02921	0.6
78.04713	1.5
78.22900	0.5
79.05487	4.5
81.03410	2.1
81.07050	5.0
82.06580	0.6
83.04969	2.2
83.06097	0.6
84.08133	0.7
85.02892	1.2
85.06548	0.6
86.53893	0.5
89.03907	24.3
89.06021	1.8
91.05476	6.4
93.07037	4.8
93.18800	0.5
95.04963	2.8
95.06068	0.5
95.08602	2.2
97.02901	1.7
97.04005	0.7
97.06517	2.5
98.97562	2.4
99.16899	0.6
103.05462	1.8
105.04532	0.6
105.07015	1.7
106.04177	1.5
106.06547	1.8
107.04945	5.9
107.08583	4.3
108.05302	1.9
109.06525	1.6
109.07611	0.7
109.98885	0.6
111.04424	2.2
111.05579	0.6
111.08057	0.7
116.98595	1.8
117.03370	43.4
117.06999	1.0
119.01788	0.8
119.04919	0.5
119.08559	0.8
121.02837	0.5
121.06464	2.5
121.10135	2.1
123.04440	0.4
123.08050	1.0
124.05205	0.9
125.05949	1.1
128.02330	1.7
130.96317	0.8
131.08542	2.8
133.02782	0.5
133.10124	0.9
134.03627	7.8
134.99641	1.0
135.04413	11.2
135.08043	2.9
135.11668	1.7
136.08655	0.6
137.05907	0.7
137.09601	1.2
138.06631	1.0
139.03871	0.7
145.02835	87.7
146.03273	0.6
146.99571	0.7
148.97298	3.0
149.01231	0.7
149.04768	1.1
149.05971	22.5
149.09596	3.2
149.97208	1.6
151.07506	0.6
152.52919	0.5
153.05400	1.5
153.97911	1.1
158.99602	0.9
159.08063	0.8
159.11705	1.1
162.03105	2.0
163.03894	9.6
165.05409	0.6
171.98946	2.2
177.05455	100.0
177.12668	1.1
178.05878	0.7
183.07779	0.8
186.05496	2.1
192.06622	0.5
193.07520	0.5
195.01035	0.7
195.02975	1.0
195.06415	0.8
195.08505	0.8
195.10118	2.6
195.13805	1.1
195.15752	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03951	0.7
55.01860	0.9
55.05502	2.7
56.96558	6.2
57.03430	2.0
57.07066	0.7
59.11787	0.4
61.02920	1.0
63.02372	0.9
65.03925	1.0
65.23727	0.4
67.05485	1.6
68.05022	1.0
68.96307	1.0
69.03416	2.3
69.07062	1.4
70.06595	0.5
70.99922	0.5
71.00266	1.0
71.04976	0.8
71.20399	0.5
72.18328	0.5
73.02896	1.0
75.36477	0.6
78.04710	1.7
79.05481	3.4
81.03427	0.8
81.07049	1.7
83.04961	1.2
84.08127	0.9
85.02888	1.9
87.04464	0.7
89.03906	27.2
89.06023	1.5
91.05480	4.7
91.51823	0.5
93.03368	0.9
93.07034	3.3
95.04966	2.0
95.08595	1.1
97.02867	2.3
97.06518	0.6
98.01302	0.5
98.97562	3.9
99.04482	0.5
103.05472	2.0
105.07002	1.4
106.04179	1.9
106.06534	1.2
107.04932	3.4
107.08583	2.2
108.05598	0.5
109.06485	0.6
109.10120	1.5
109.98936	0.8
110.07136	0.6
111.04423	2.0
116.98616	3.3
117.03365	49.9
119.01794	1.1
119.04906	0.7
119.08564	0.6
121.06464	2.4
121.10128	1.5
123.08087	0.6
124.05193	1.1
125.05978	1.6
127.99915	0.6
128.02238	2.3
128.98633	0.8
130.96298	1.3
131.08569	1.0
131.96091	0.6
133.02774	0.5
133.06567	0.5
134.03632	6.9
134.99654	1.9
135.04401	11.5
135.08066	2.1
135.11716	1.2
137.02811	0.9
137.09619	1.4
138.06538	1.0
145.02829	85.7
146.03200	1.3
146.99632	1.7
147.04356	0.5
148.97311	3.0
149.05968	24.4
149.09560	1.7
149.13310	0.7
149.97215	1.4
153.05507	2.8
153.06625	0.8
153.97864	1.2
154.97778	0.5
158.99606	1.0
161.06514	0.5
162.03087	1.5
163.03885	11.1
164.06966	0.5
165.06764	1.0
166.92827	0.7
167.07051	0.5
171.98938	1.7
173.06526	0.6
174.07257	1.0
177.00673	1.8
177.05450	100.0
178.05756	0.9
183.07135	0.7
186.05457	2.0
189.04335	0.7
194.15157	0.5
195.01074	2.0
195.02916	1.2
195.06403	1.9
195.07796	1.0
195.10165	1.9
195.12373	0.5
195.14011	0.6
195.15765	1.4
201.07974	3.9
204.08281	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.0479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01712	0.1
52.55832	0.1
53.03930	0.2
54.43484	0.1
55.01863	0.2
55.05497	0.3
56.96548	0.4
63.92192	0.1
65.03938	0.3
67.05487	0.4
68.05814	0.2
68.12907	0.1
68.96313	0.2
69.03412	0.2
70.04073	0.3
70.94266	0.2
79.05478	0.5
80.05002	0.2
81.03412	1.4
81.07037	0.5
82.03741	0.8
82.07359	0.2
84.08094	0.1
85.10152	0.1
87.04452	0.3
89.03904	1.7
91.05465	0.2
92.05772	0.3
93.07013	0.2
94.07388	0.1
95.04930	0.7
95.06065	0.2
95.08614	0.1
96.04441	0.1
96.05283	0.5
96.08965	0.2
98.21586	0.3
98.99996	0.5
99.89024	0.1
103.05460	0.9
104.04984	0.7
105.07030	0.3
106.07301	0.1
107.04989	0.3
108.04457	0.2
109.98978	0.2
110.06033	0.2
116.04950	0.2
120.08067	0.1
120.08884	0.3
121.02852	0.6
121.06452	0.3
124.07604	0.2
125.01534	5.6
126.01891	0.2
130.06509	0.7
130.07379	0.2
130.96301	0.2
131.06041	1.6
132.06827	1.1
132.08891	0.2
134.06917	0.2
139.03090	3.7
140.00803	0.2
140.02562	0.6
143.02614	0.2
145.02780	0.3
146.97522	0.2
147.97508	0.8
148.07529	0.2
148.97325	0.8
149.05965	0.4
152.02603	8.9
152.07051	0.4
153.02081	0.4
153.09076	0.1
153.97873	0.5
157.06262	0.2
158.07176	0.8
165.03416	0.3
166.08629	0.4
167.03676	0.8
169.98903	0.1
170.99068	0.3
171.98900	0.7
176.06943	0.2
176.11609	0.1
177.05380	0.2
189.04259	0.2
194.04793	100.0
194.15257	1.1
195.05159	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	194.0479
Annotation	N-Carboxymethionine
Peak:m/z	Relative Intensity
51.01712	0.1
52.55832	0.1
53.03930	0.2
54.43484	0.1
55.01863	0.2
55.05497	0.3
56.96548	0.4
63.92192	0.1
65.03938	0.3
67.05487	0.4
68.05814	0.2
68.12907	0.1
68.96313	0.2
69.03412	0.2
70.04073	0.3
70.94266	0.2
79.05478	0.5
80.05002	0.2
81.03412	1.4
81.07037	0.5
82.03741	0.8
82.07359	0.2
84.08094	0.1
85.10152	0.1
87.04452	0.3
89.03904	1.7
91.05465	0.2
92.05772	0.3
93.07013	0.2
94.07388	0.1
95.04930	0.7
95.06065	0.2
95.08614	0.1
96.04441	0.1
96.05283	0.5
96.08965	0.2
98.21586	0.3
98.99996	0.5
99.89024	0.1
103.05460	0.9
104.04984	0.7
105.07030	0.3
106.07301	0.1
107.04989	0.3
108.04457	0.2
109.98978	0.2
110.06033	0.2
116.04950	0.2
120.08067	0.1
120.08884	0.3
121.02852	0.6
121.06452	0.3
124.07604	0.2
125.01534	5.6
126.01891	0.2
130.06509	0.7
130.07379	0.2
130.96301	0.2
131.06041	1.6
132.06827	1.1
132.08891	0.2
134.06917	0.2
139.03090	3.7
140.00803	0.2
140.02562	0.6
143.02614	0.2
145.02780	0.3
146.97522	0.2
147.97508	0.8
148.07529	0.2
148.97325	0.8
149.05965	0.4
152.02603	8.9
152.07051	0.4
153.02081	0.4
153.09076	0.1
153.97873	0.5
157.06262	0.2
158.07176	0.8
165.03416	0.3
166.08629	0.4
167.03676	0.8
169.98903	0.1
170.99068	0.3
171.98900	0.7
176.06943	0.2
176.11609	0.1
177.05380	0.2
189.04259	0.2
194.04793	100.0
194.15257	1.1
195.05159	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.00289	0.8
53.03930	1.1
55.05507	10.3
57.07065	1.7
59.04977	1.5
59.91953	0.7
65.03932	1.2
67.05497	9.0
69.07061	25.4
69.41157	7.7
71.04639	1.2
71.04987	13.9
73.21525	0.8
79.05488	7.1
81.07048	20.6
83.04982	1.5
83.08596	2.9
85.06532	11.4
86.85155	0.8
91.05477	6.5
93.06465	1.5
93.07034	23.6
95.04349	1.7
95.04959	31.4
95.08598	20.0
97.06513	2.7
97.10165	7.1
98.21508	1.5
99.08066	4.0
105.07023	11.4
107.08586	31.2
108.08862	0.9
109.06505	100.0
109.10155	13.5
109.23378	0.7
110.06818	1.6
111.08083	5.7
111.11697	2.9
117.06987	1.2
118.79681	0.9
119.08566	24.6
121.10133	7.0
123.08045	7.4
123.11698	18.5
133.10124	21.5
135.10675	1.7
135.11687	30.5
137.09595	12.0
145.10074	1.3
146.97438	1.7
147.11697	4.0
149.13255	8.3
151.11110	3.8
166.67128	0.7
175.14806	35.2
176.15157	1.3
177.58435	0.8
193.04974	2.0
193.12183	3.0
193.15858	51.2
205.82948	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03932	3.5
55.01867	3.7
55.05505	38.2
56.96550	7.0
57.03431	4.0
57.07072	11.7
59.04996	4.6
65.03929	2.9
67.05499	45.7
68.22782	1.6
68.94345	2.2
69.03422	25.2
69.07062	23.8
70.35419	1.5
71.04977	6.6
71.08616	2.0
71.53496	1.6
71.60020	1.9
79.05482	20.4
81.02976	2.0
81.03415	29.2
81.07050	50.9
83.04977	37.8
83.08612	19.7
84.93819	1.9
85.06522	6.7
87.04479	1.8
91.05475	25.4
93.07034	31.6
95.04961	17.6
95.08598	77.7
96.08881	1.7
97.02863	2.9
97.06529	6.2
97.10161	5.2
98.97550	2.5
99.08081	4.9
103.05448	1.5
105.07021	43.5
107.04958	4.7
107.08589	58.0
108.08919	1.6
108.30952	1.7
109.06508	25.0
109.10146	100.0
111.08088	12.9
115.05434	2.6
117.06990	4.6
119.08571	71.3
121.06490	1.5
121.10139	45.0
122.07211	2.9
123.08060	58.8
123.11691	13.1
125.01498	3.5
125.09653	2.8
128.96402	6.1
128.98595	1.5
129.06999	4.7
131.08545	6.9
132.95782	1.7
133.02791	3.9
133.06494	9.4
133.09093	2.7
133.10115	66.4
135.11678	92.7
136.12004	1.6
137.05975	4.8
137.09608	40.6
137.48317	1.5
138.10454	7.9
139.11119	2.0
143.52641	1.8
145.10115	4.5
146.97429	60.8
147.08087	2.3
147.11682	13.7
147.97438	2.8
149.01180	2.7
149.02315	2.6
149.09659	3.1
149.13251	23.7
150.06282	2.2
151.11176	18.1
151.14818	14.2
155.17407	1.6
157.10179	2.2
159.06673	1.8
160.12489	2.3
161.05957	6.0
165.05458	1.9
165.09131	1.6
165.12694	2.8
165.16360	3.9
169.99028	21.3
170.99069	2.2
175.11172	3.4
175.14816	55.8
178.02576	4.0
178.96350	3.1
193.00864	2.2
193.04979	13.1
193.08597	2.9
193.12210	11.0
193.15865	90.2
194.04697	3.4
194.16138	1.7
201.98041	1.7
210.77184	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	194.048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.1
55.01852	0.1
55.05506	0.7
56.05851	0.2
56.39994	0.1
56.96557	0.5
57.03422	0.1
63.02343	0.1
67.05498	0.5
68.05022	0.1
68.05832	0.2
68.96336	0.3
69.03411	0.4
70.06571	0.2
70.94236	0.2
71.04974	0.1
71.19598	0.1
71.59956	0.1
72.90057	0.1
72.98463	0.1
78.04028	0.1
79.05482	0.5
80.05007	0.2
80.05823	0.2
81.03413	1.9
81.07053	0.5
82.03751	1.2
83.08601	0.2
84.08131	0.1
84.08928	0.2
86.06065	0.1
86.97395	0.1
87.04448	0.3
89.03906	1.3
90.04710	0.2
91.05474	0.4
92.05793	0.4
93.07052	0.3
95.04953	0.6
95.06074	0.2
96.05296	0.4
96.08119	0.2
97.02862	0.1
98.06043	0.2
98.97573	0.5
98.99978	0.5
103.05448	0.1
105.07014	0.3
106.06622	0.2
106.07366	0.4
107.04943	0.2
107.07320	0.2
107.08520	0.1
108.04466	0.4
108.08119	0.3
109.98896	0.2
110.06047	0.2
111.04558	0.1
111.08013	0.1
116.98604	0.4
117.03329	0.2
119.08578	0.1
120.08118	0.1
120.08918	0.4
123.33611	0.1
125.01533	100.0
126.01870	1.3
127.99973	0.2
130.07356	0.2
130.96205	0.2
132.07985	0.1
132.08887	0.1
134.06877	0.1
134.10486	0.1
134.99658	0.3
135.04459	0.1
136.07614	0.2
143.05441	0.1
145.02861	0.2
146.05983	0.1
146.97411	0.4
147.97420	0.6
148.07523	0.2
148.12062	0.1
148.97351	0.8
149.05956	0.2
149.08159	0.1
150.09099	0.7
150.09947	0.1
151.09874	0.1
153.97903	0.2
155.03690	0.1
157.06337	0.7
158.10477	0.1
166.04190	0.4
166.08598	0.4
170.99173	0.4
171.98940	0.5
176.07039	0.1
176.11508	0.2
176.14273	0.1
177.00700	0.3
177.05476	0.3
194.02930	0.8
194.04829	3.5
194.07986	0.6
194.09933	0.2
194.11697	2.5
194.15363	1.2
195.05049	0.1
202.98756	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	193.1223
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.02357	0.8
51.54024	0.8
52.09979	0.6
53.03940	6.5
55.01871	4.1
55.05510	10.9
56.96564	1.7
57.03436	3.7
57.07055	1.1
65.03937	2.7
65.64510	0.8
67.05500	36.6
67.05865	1.8
67.35922	0.7
69.03423	3.2
69.07065	4.8
69.34808	0.7
71.01342	0.8
71.04985	5.1
79.05487	34.5
81.03411	100.0
81.07050	21.5
82.03726	0.9
83.04971	5.5
83.08615	12.2
85.06535	0.9
91.05473	51.8
93.07035	25.5
95.04961	45.7
95.05435	0.7
95.08616	2.9
95.92103	0.6
97.02872	2.0
97.06528	4.7
97.10152	0.8
103.05466	1.1
105.04549	1.1
105.07024	29.3
106.64672	0.7
107.04952	8.0
107.08588	5.2
109.06515	5.2
109.10175	0.8
111.04449	3.5
111.08064	2.6
113.06009	1.2
115.05459	2.8
116.06266	0.8
117.07032	3.0
119.04934	1.1
119.08575	18.9
121.06495	3.1
121.10110	3.7
123.04451	1.0
123.08086	1.4
123.11731	1.3
128.06207	1.7
128.96393	2.4
129.06993	14.2
131.08554	16.6
133.06506	5.9
133.10118	51.8
135.11693	0.7
137.05960	1.4
137.09573	1.4
142.07774	4.5
146.97433	18.8
147.08058	5.9
147.11673	20.2
149.09610	13.3
151.11195	1.2
157.10115	17.9
161.05974	1.7
165.12708	1.5
169.99026	6.8
175.11172	24.2
175.14699	1.1
178.02596	0.9
187.08629	0.7
193.04964	4.6
193.08504	1.5
193.12231	23.1
194.04848	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1223
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03950	2.7
54.49981	0.8
55.01880	2.9
55.05512	6.1
56.96573	2.1
57.03445	2.1
57.07076	1.1
59.05024	0.8
61.22074	0.6
65.03947	2.1
66.21249	0.7
66.36294	0.8
67.05502	27.3
69.03432	1.9
69.07069	6.0
71.01345	0.7
71.04992	6.1
71.34703	1.2
79.05489	29.2
81.03414	47.5
81.07053	21.8
83.04973	5.7
83.08616	5.1
85.06552	2.4
87.04488	3.0
91.05477	82.0
92.05820	1.9
93.07043	23.5
94.07372	2.0
95.04964	23.0
95.05551	1.4
95.08621	4.8
97.02892	1.4
97.06529	3.0
103.05462	3.2
104.05808	1.6
105.04507	1.4
105.07024	52.9
107.04955	8.0
107.08589	12.2
109.06523	6.6
109.10121	1.1
111.04465	1.1
111.08067	0.9
115.05437	2.7
116.06223	0.8
117.07002	3.9
119.04952	1.6
119.08573	23.5
121.06499	10.7
121.10139	4.3
121.25338	0.7
122.06825	21.2
123.04399	1.2
123.08088	2.3
125.05958	3.1
128.96361	1.5
129.07021	6.7
131.04901	0.9
131.08566	16.6
133.02844	0.8
133.06494	20.6
133.10120	100.0
133.35933	0.8
133.95857	0.8
134.07191	1.3
134.10442	1.7
135.08038	1.3
135.11678	0.8
137.05971	1.8
137.09596	1.0
142.07788	3.1
145.10106	3.3
146.50388	0.8
146.97424	14.8
147.04337	0.9
147.08046	8.4
147.11678	25.2
148.03583	0.7
149.09612	17.9
149.13242	0.8
151.07507	1.3
151.11195	3.3
157.10112	7.6
161.05846	2.6
163.11133	0.7
165.05493	1.0
165.09323	0.6
165.12750	2.6
169.99042	5.6
175.11176	34.3
175.14775	2.7
178.02567	1.5
178.96364	1.1
193.04944	7.1
193.08453	2.0
193.10530	3.1
193.12218	27.0
193.14085	1.3
193.15875	1.1
212.98355	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1223
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
51.02382	0.6
51.66759	0.4
51.94079	0.6
52.70929	0.4
52.85241	0.3
52.90499	0.4
53.03944	3.9
55.01868	2.6
55.05509	17.9
56.96554	3.7
57.03429	3.4
57.07077	0.9
63.56111	0.4
65.03941	2.3
65.30597	0.4
66.20377	0.3
67.05503	24.3
68.94355	1.1
69.03432	3.3
69.07063	3.9
69.37675	1.0
69.38078	2.8
71.01353	0.9
71.04987	1.6
79.05489	17.4
79.49299	0.4
80.15550	0.3
81.03414	100.0
81.07051	15.2
82.03745	0.5
83.04977	4.7
83.08615	13.0
84.96036	0.5
85.02884	0.6
85.06566	0.5
89.03957	0.4
91.05477	21.8
92.05844	0.4
93.07040	9.6
95.04965	39.5
95.08595	3.6
96.05297	0.6
97.02875	1.9
97.06516	1.6
97.10187	0.7
98.20720	0.8
98.97580	6.3
99.08096	0.5
103.05470	1.8
105.04512	0.6
105.07027	18.3
107.04957	7.6
107.08603	4.1
109.06510	3.8
109.10121	1.3
111.04433	2.2
111.08089	2.7
112.99126	0.6
115.05453	2.4
116.06249	0.5
116.98623	5.1
117.07011	1.5
119.04932	1.2
119.08574	11.7
121.06534	2.5
121.10125	4.7
123.04418	1.4
123.08033	2.4
123.11720	0.7
124.07579	0.4
125.01542	27.4
125.94070	0.4
128.06229	1.1
128.96391	2.4
129.07002	8.2
131.00156	1.6
131.08574	7.0
133.02834	1.3
133.06499	7.9
133.09131	0.6
133.10121	9.7
134.99683	2.0
135.08083	1.2
135.11658	1.1
136.07593	0.5
137.05930	1.9
137.09605	1.9
140.00269	0.5
142.07736	2.8
143.44212	0.4
145.10106	1.1
146.97440	17.2
146.99599	0.8
147.04407	1.3
147.06261	0.8
147.08018	4.0
147.11682	7.6
147.86545	0.4
147.97481	0.8
149.01247	2.0
149.02289	0.6
149.09613	4.3
149.13240	0.5
150.03108	0.5
151.07487	0.5
151.11172	0.9
151.97925	0.5
157.10121	5.7
158.99599	1.9
160.97565	0.6
161.06035	2.2
165.05464	0.5
165.09151	0.6
165.12804	1.2
167.02284	0.5
169.99036	6.5
170.99258	0.6
173.01236	1.8
175.11183	6.4
175.14838	1.2
177.00691	3.4
178.02625	1.3
178.96437	1.4
191.02275	2.4
193.03352	0.4
193.04996	6.9
193.08588	1.4
193.12230	13.4
193.15865	1.6
193.17627	0.4
194.03069	0.4
194.04797	0.9
201.98097	0.4
202.98593	0.9
214.06116	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1223
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.94071	1.1
53.03939	6.3
55.01866	4.7
55.02103	0.8
55.05504	9.3
56.96561	6.2
57.03421	2.1
57.07072	1.1
59.04998	1.2
61.31129	0.8
65.03931	2.9
67.05499	31.9
68.94353	1.1
69.03432	2.9
69.07059	8.2
71.04991	10.0
71.60101	1.1
77.03938	1.1
78.04723	1.0
79.05486	53.6
81.03411	42.8
81.07051	26.8
83.04981	6.7
83.08616	4.6
85.06544	3.5
87.04465	1.8
91.05473	99.3
93.07034	90.5
94.07383	1.1
95.04961	38.7
95.08606	4.0
97.06533	2.7
99.04482	0.9
101.94077	0.8
103.05414	1.0
105.04523	2.0
105.07023	47.7
107.04964	4.4
107.08602	4.9
109.06513	8.0
109.10164	1.4
111.04468	1.5
111.08069	2.8
113.06004	2.5
115.05445	3.0
117.07011	2.1
119.04925	1.0
119.08572	22.8
121.06498	1.7
121.10139	3.4
123.08076	1.4
127.07539	1.3
128.06200	1.1
128.96394	3.6
128.98607	0.9
129.06989	17.4
131.08560	24.0
133.02846	2.0
133.06532	4.5
133.10118	100.0
134.10446	1.6
135.08051	1.2
135.11702	1.3
137.04997	0.9
137.05969	1.3
137.09622	1.1
142.07759	5.0
143.08607	0.8
144.42598	0.8
145.10098	1.0
146.97429	39.6
146.99669	1.5
147.08054	7.9
147.11671	19.6
147.97484	1.6
149.02272	2.2
149.09636	2.9
150.03188	0.9
151.07509	1.4
157.10112	19.6
159.49361	0.8
160.08878	1.6
161.09625	2.6
165.12762	1.8
169.99017	14.7
175.11165	20.4
175.14903	1.8
178.02594	2.4
178.07845	2.1
178.96390	2.4
182.07675	1.0
189.04384	3.3
192.93816	1.2
193.00739	1.3
193.05006	8.8
193.08501	1.0
193.10194	2.7
193.12201	22.1
193.15858	1.2
194.04764	1.0
201.98016	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	193.1223
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03946	4.6
54.48904	1.5
55.01862	4.6
55.05512	10.6
56.96560	10.1
57.03428	2.9
57.07062	3.8
57.73910	1.6
65.03925	2.5
67.05504	32.4
68.05019	1.7
68.70763	1.4
69.03426	3.6
69.07058	10.0
71.04985	4.9
71.59009	1.6
73.02909	10.0
77.10822	1.5
79.05492	42.0
79.05961	2.3
80.04987	2.2
81.03412	14.0
81.07051	28.8
83.05003	7.4
83.08607	7.3
85.06516	1.9
87.04475	2.0
91.05479	77.9
92.05792	1.6
93.07037	33.4
95.04966	25.5
95.08614	12.4
97.02915	1.8
97.06540	7.2
99.08102	1.8
103.05444	1.9
105.07030	50.0
107.04972	9.7
107.08620	8.0
108.04452	2.2
109.06538	10.1
109.10157	4.5
111.08114	3.6
115.05491	2.3
117.07010	3.7
119.04910	1.9
119.08569	31.7
120.08080	1.7
121.10140	50.8
121.11024	2.6
123.04477	2.8
123.08065	5.7
123.11725	1.9
124.52110	1.5
125.06041	1.6
129.07010	19.6
131.08556	28.2
133.02834	3.9
133.06529	3.6
133.10124	100.0
134.10394	1.9
135.08029	1.7
135.11691	3.1
136.07556	3.1
137.05989	5.5
137.09654	3.1
138.09029	1.4
142.07803	5.3
146.29764	1.8
146.97426	6.4
146.99649	3.2
147.08052	5.7
147.11682	47.0
148.07536	3.6
149.02374	4.0
149.09639	18.1
151.07545	2.6
151.11192	3.3
157.10124	26.1
164.06886	1.5
165.05656	1.7
165.12790	2.0
166.08444	2.3
175.08849	2.2
175.11191	37.2
175.14818	3.4
178.02596	3.7
178.07878	1.7
188.07736	1.6
193.04964	19.3
193.06557	2.7
193.08574	2.3
193.10445	6.2
193.12221	40.7
193.14110	2.6
193.15887	11.9
193.17580	3.1
194.04504	1.9
194.08115	5.4
194.12035	1.3
194.15541	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0496
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
53.29279	0.5
55.05524	0.6
67.05488	2.1
71.58442	0.5
71.58828	0.7
77.03944	0.8
79.05479	2.0
81.03416	1.9
81.07047	2.3
83.04975	0.8
84.78738	0.5
89.03915	1.1
91.05466	2.8
93.07065	1.4
94.04186	1.5
95.04982	2.4
95.08603	1.9
103.05476	0.5
105.03391	1.8
105.07024	2.9
107.04948	0.9
107.08595	0.8
109.06517	0.9
109.10160	0.8
117.03378	0.9
119.08572	1.8
120.08119	0.5
122.03654	7.2
123.08036	0.7
133.02852	51.3
133.10152	2.8
134.03693	0.6
137.05977	15.1
137.09636	0.8
138.06285	0.6
146.97459	0.6
147.11667	2.0
149.06018	2.8
150.03145	5.6
165.05440	4.5
175.11201	0.7
175.14870	0.6
178.02615	30.5
179.02893	0.6
193.04965	100.0
193.10501	2.2
193.12253	2.3
193.15865	1.9
194.05298	2.4
194.08157	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1019
Annotation	5-Methoxytryptophol
Peak:m/z	Relative Intensity
50.14636	0.5
53.03923	1.5
54.03455	0.6
55.01875	5.5
55.05496	1.1
56.05014	1.1
56.96549	2.3
57.03439	0.8
58.06583	1.2
63.02376	0.6
65.03925	2.0
67.05489	1.5
68.05011	1.1
69.03414	1.2
69.51451	0.5
69.56149	1.9
69.56558	1.7
70.06580	2.0
72.04537	0.7
72.93787	1.3
76.94029	0.5
78.04699	0.5
79.05486	6.0
80.05010	1.0
81.03407	2.6
81.05785	0.8
81.07044	1.2
82.06560	1.9
83.04961	0.9
84.04498	1.4
84.08125	1.3
85.02891	0.7
86.06069	4.3
91.05481	19.9
92.05762	0.8
93.07039	8.5
94.06554	1.0
94.53169	0.5
95.04975	4.7
95.06030	0.6
95.08580	0.8
98.06046	0.5
98.21484	0.8
98.97544	0.5
103.05466	13.5
105.04517	1.0
105.07032	15.0
106.06549	1.3
106.07248	0.6
107.04952	29.3
107.08565	1.5
108.08923	0.7
109.06488	0.8
109.10105	0.5
110.07130	1.3
111.04425	2.3
112.78720	0.5
115.05459	3.2
117.05703	0.5
117.07027	6.0
118.06522	2.6
118.07315	1.1
119.04936	3.8
119.08571	3.3
120.04445	1.0
120.08114	8.7
120.08949	1.0
121.05649	1.1
121.06503	17.0
122.05987	1.7
122.06823	0.9
123.04408	3.4
123.08057	0.5
128.06224	1.9
129.07024	5.3
130.06519	3.3
131.04022	1.0
131.04935	11.9
131.07298	2.5
131.08553	1.4
132.04442	0.9
132.05638	1.6
132.08052	3.0
132.08917	1.8
132.95866	0.9
133.05238	2.9
133.06491	17.8
133.08871	21.4
133.10063	2.3
134.05991	2.3
134.06934	0.7
134.09573	1.2
134.10501	0.7
135.06819	0.9
135.08009	1.2
136.07564	1.7
137.05954	1.1
144.08072	2.2
145.06490	14.8
146.06000	14.8
146.07082	1.0
146.09604	4.6
146.10463	0.6
146.97435	0.9
147.04385	1.5
147.06749	3.9
147.08034	7.6
147.11655	0.7
148.07564	16.4
148.08707	1.1
149.05984	6.5
149.08369	3.4
150.05466	1.0
150.06612	0.8
150.07846	0.8
150.09134	1.7
150.10164	0.7
150.96901	3.0
151.07477	0.6
151.09715	1.1
155.06039	1.6
157.06471	3.3
159.06799	8.3
160.05087	5.4
160.07539	4.2
161.08371	3.6
162.09142	24.9
163.06271	1.3
163.07539	0.6
163.09499	0.6
164.07025	1.6
164.10701	2.8
172.07545	0.9
174.05473	1.2
174.09137	18.0
175.07547	6.0
175.09755	0.9
176.07033	3.6
177.07784	2.8
177.15167	0.6
190.08665	1.0
192.02853	1.4
192.06548	9.1
192.10187	100.0
192.13905	2.1
192.17422	4.2
193.04901	2.7
193.08757	0.6
193.10545	2.3
193.12212	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1018
Annotation	Ephedroxane
Peak:m/z	Relative Intensity
53.03941	2.2
55.01865	3.5
55.05500	1.8
56.05028	2.5
56.96556	1.3
57.03424	1.1
58.06591	3.9
60.04512	1.7
67.05486	2.1
68.05012	1.3
69.07077	1.0
69.56247	3.0
69.56663	4.3
70.06598	5.1
79.05497	6.8
80.05019	1.9
81.03410	3.9
81.07023	1.5
82.06575	11.4
83.07358	1.2
84.04483	1.8
86.06068	7.4
86.09708	2.1
91.05483	17.0
93.05769	1.1
93.07029	4.5
94.06577	2.2
95.04955	4.2
95.08595	1.0
98.06023	1.2
103.05479	16.5
105.00091	1.4
105.07027	19.7
105.51273	1.0
107.04954	50.4
108.04501	1.2
109.06499	2.1
109.07641	1.2
110.07163	3.7
111.04430	1.2
112.65448	1.0
115.05461	3.2
116.06145	0.9
117.05716	1.7
117.07010	3.3
118.06542	2.5
118.07340	1.4
118.54211	0.9
119.04932	4.8
119.08572	4.5
119.89877	0.9
120.08086	3.7
121.06498	12.3
122.06019	1.9
122.06930	0.9
123.04411	2.7
128.06209	3.8
129.07011	13.5
130.06517	3.8
131.04932	13.9
131.07315	3.1
131.08569	2.7
132.05634	1.6
132.08072	4.4
133.02934	1.7
133.05423	1.7
133.06493	36.5
133.08871	24.7
133.09975	2.0
134.06030	1.4
135.04420	2.8
135.06802	1.7
135.08000	1.6
136.03906	1.6
136.07568	2.3
137.05965	2.1
145.06488	8.6
146.05888	7.5
146.06909	2.5
146.09619	7.3
147.04388	4.1
147.06786	3.3
147.08047	14.1
148.07550	22.0
148.08527	1.5
149.05956	8.9
149.08333	1.6
150.05508	0.9
150.06679	1.2
150.09174	4.6
150.96883	7.7
151.09814	1.1
154.23283	1.0
155.06067	1.3
157.06488	9.2
159.06781	3.9
160.05122	10.9
162.05507	1.5
162.09138	23.7
163.06273	4.0
164.03407	1.0
164.07021	1.9
164.10686	7.1
165.09100	1.5
174.05501	1.9
174.09077	9.6
175.03908	2.7
175.07527	12.5
176.07048	10.3
177.07849	8.7
177.15137	1.0
192.06558	10.9
192.10196	100.0
192.17398	7.2
193.04947	6.2
193.06442	1.2
193.08737	1.1
193.10529	3.9
193.12102	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	192.0766
Annotation	Carbendazim
Peak:m/z	Relative Intensity
56.08110	0.1
64.50105	0.1
65.03951	0.2
69.00876	0.1
69.32574	0.6
69.32996	0.3
73.99355	0.1
74.26069	0.1
91.05504	0.2
92.05016	0.3
105.04542	0.2
120.08100	0.1
121.06487	0.4
122.84912	0.1
132.05560	3.0
133.06360	0.5
135.05510	0.3
146.97482	0.1
150.96893	0.3
160.05049	100.0
161.05461	1.1
169.99103	0.1
192.07666	17.8
193.04953	0.1
193.08011	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1018
Annotation	Ephedroxane
Peak:m/z	Relative Intensity
63.17155	5.6
69.36344	53.7
71.33572	5.8
77.63723	5.2
77.64289	5.1
83.65286	5.9
95.69515	4.7
106.67073	5.7
109.07674	5.9
111.40936	5.2
148.07556	19.0
151.09781	5.6
151.34821	6.5
163.06256	5.4
176.07054	28.5
177.07860	26.5
192.10201	100.0
192.12405	23.7
192.17575	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	192.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08937	1.3
53.03931	3.4
55.05498	2.0
55.93534	1.6
56.05033	3.2
56.96563	6.9
59.06105	1.6
60.04518	2.8
65.03939	13.5
66.04710	12.3
67.51670	1.3
68.99758	2.2
69.03408	1.5
70.06570	4.2
70.95850	3.8
72.04517	2.5
72.08147	1.9
72.93785	15.9
73.02932	1.5
74.02424	2.8
74.06071	1.4
79.05487	5.8
79.44508	1.5
79.73478	1.2
80.05009	4.7
81.03393	2.3
81.07060	1.6
84.04492	3.8
85.23199	1.4
86.06050	2.2
86.09703	1.6
89.03909	2.6
90.04689	11.7
90.94810	11.8
91.05475	100.0
92.05814	3.9
93.03388	1.3
93.07047	7.6
95.04963	8.4
95.06074	2.2
97.02874	2.0
103.05463	45.7
105.03362	2.3
105.04488	1.7
105.06412	1.8
105.07004	10.0
106.06526	3.2
107.04976	6.9
107.08546	1.4
108.05564	1.3
108.95836	4.5
109.06590	1.3
109.07558	1.7
110.07167	2.0
111.04413	2.5
111.07982	1.9
113.96455	1.4
115.05482	1.8
118.04159	46.9
118.05011	2.9
118.06525	9.7
119.04932	6.1
119.08582	1.8
120.08103	25.6
121.06502	12.2
122.06010	1.5
122.07108	1.5
123.04436	6.4
124.97659	1.6
128.96355	2.5
131.04926	14.9
131.50146	1.4
131.97455	2.9
132.95825	26.5
133.06493	6.5
134.99677	1.6
135.04391	1.9
136.07558	1.9
137.05978	1.7
137.08174	1.3
146.05992	8.8
146.97435	14.0
146.99603	1.6
147.04387	11.8
147.06691	1.3
148.07573	7.5
148.97652	3.9
149.96130	7.0
149.98470	2.5
150.00693	2.0
150.96878	93.0
157.79350	1.5
160.05057	9.8
161.05989	4.3
164.07072	4.2
166.98703	4.1
167.97130	9.5
168.97958	6.3
169.99055	3.9
173.98444	4.2
174.05505	2.7
174.12700	1.6
175.03867	3.1
178.02603	3.0
187.02904	1.4
191.97064	6.6
192.06471	24.5
192.08568	2.8
192.10057	8.3
192.12358	4.3
192.13803	13.8
192.17409	11.4
193.04964	7.6
209.98215	6.2
210.05589	1.5
210.07622	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.01625	0.4
55.01872	5.3
55.05508	2.3
56.96573	2.2
57.03433	0.5
57.07067	0.8
57.19915	0.3
57.75795	0.3
65.03942	0.8
66.82210	0.3
67.05501	1.8
69.03414	1.4
69.07070	17.5
69.74525	1.0
69.74954	1.0
71.04994	0.6
71.81811	0.3
79.05492	4.9
81.07056	3.2
83.04980	3.4
83.08602	0.7
91.05483	7.8
93.07049	17.6
95.04951	1.8
95.08607	3.2
97.06525	2.4
98.97600	0.5
103.05437	0.4
105.04503	0.4
105.07035	4.9
107.04941	1.4
107.08601	11.7
109.06495	1.7
109.10151	1.3
110.07100	0.4
115.05450	1.0
116.98625	0.4
117.07019	2.9
118.06548	0.5
119.08576	3.6
121.06508	21.5
121.10144	10.0
123.08080	2.6
123.11710	0.6
128.63577	0.3
128.98656	0.4
129.06960	0.5
131.04915	0.7
131.08563	6.4
133.06487	0.6
133.10139	7.3
134.99596	0.4
135.08063	8.9
135.11699	4.1
137.09619	1.0
143.08568	1.3
144.09315	0.4
145.06490	1.1
145.10156	4.5
146.06006	0.9
146.99651	0.5
147.06509	0.4
147.11691	29.5
148.07565	1.0
148.08699	0.4
148.12042	0.4
149.06065	0.3
149.09605	4.5
149.13261	8.3
158.10907	2.0
158.26266	0.3
160.05055	0.5
161.09628	9.2
163.11154	1.9
163.14859	1.6
167.05554	0.4
173.09618	1.1
173.13280	10.7
175.05928	0.4
176.06929	0.5
176.12012	2.2
177.07808	0.4
191.03355	0.6
191.08894	2.5
191.14311	100.0
191.64555	0.4
192.06549	0.5
192.10182	1.6
192.14697	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0654
Annotation	5-Hydroxyindoleacetate
Peak:m/z	Relative Intensity
53.00288	0.4
53.03928	0.6
55.34846	0.2
56.96546	0.4
58.88199	0.2
65.03946	0.2
66.36222	0.2
67.00622	0.2
71.01350	1.2
72.93779	0.2
77.03922	0.5
81.99903	0.2
91.05474	3.1
92.04968	0.3
93.07011	0.2
94.06555	22.3
95.04954	1.3
98.20768	0.5
99.00803	11.7
104.04977	17.1
105.03374	0.3
105.07014	0.2
117.01835	0.4
117.05758	0.5
118.06524	6.5
120.04459	2.9
120.08056	0.2
122.05981	1.6
128.04948	2.0
128.57706	0.2
132.04434	17.2
132.95808	0.3
133.06465	0.2
133.10133	0.2
133.37788	0.2
136.07567	2.5
146.05988	100.0
146.97403	0.9
147.06319	1.4
147.10384	0.2
150.05484	16.4
150.96899	0.9
154.97223	0.2
160.05035	1.4
164.07048	2.1
169.98958	0.3
174.05482	20.9
175.05847	0.2
179.03764	0.2
192.06494	4.5
192.08061	0.3
192.10194	0.3
192.13815	0.4
192.17480	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03922	1.4
55.01854	2.2
55.05504	6.4
56.96545	3.3
57.03419	1.8
57.07085	1.7
59.04984	1.1
65.03901	1.2
67.05499	33.9
69.03422	4.0
69.07061	10.2
69.66430	6.3
71.04987	36.6
74.28716	0.9
79.05489	15.5
81.03393	1.0
81.07054	16.0
83.04980	4.0
83.08616	4.0
85.06540	16.1
91.05471	25.6
93.07040	21.0
95.04964	13.8
95.08594	15.3
97.06527	11.7
99.08087	1.4
103.05443	3.0
105.07021	46.7
107.04948	2.6
107.08585	65.0
108.08893	1.5
109.02707	0.8
109.06510	26.7
109.10146	90.8
111.08094	4.3
115.05405	2.2
116.06216	2.3
117.07005	6.8
119.07777	1.7
119.08574	18.9
121.06502	9.3
121.10132	67.4
122.10480	1.3
123.08055	24.7
129.06967	3.9
130.07777	1.3
131.04904	1.5
131.08557	54.8
132.08948	1.5
133.06493	1.9
133.10120	34.0
135.08041	75.0
135.11671	2.5
143.08508	5.1
144.09309	2.8
145.10112	17.6
146.01265	0.8
147.08017	2.9
147.11668	20.4
147.12793	1.8
148.08836	2.4
148.11978	0.9
149.01134	0.9
149.05978	0.9
149.09612	12.9
149.13246	13.6
150.10378	3.3
158.10890	10.9
161.09564	2.2
162.10406	1.8
163.07487	1.1
163.11143	2.4
163.14781	2.6
173.13248	56.5
176.11925	3.3
191.03442	1.1
191.07013	2.6
191.10701	5.2
191.14287	100.0
192.14590	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	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.11929	1.1
53.03940	2.9
54.00358	1.0
55.01860	2.1
55.05503	8.9
55.24952	0.9
56.96552	3.4
57.03429	1.4
57.07050	1.4
65.03928	2.2
66.61640	0.9
67.05501	16.3
69.03076	1.6
69.03426	15.6
69.07065	17.4
70.18502	3.6
71.04979	2.1
79.05488	21.1
81.07054	16.7
82.67717	1.0
83.04971	11.3
83.08620	5.0
85.06520	1.5
91.05477	23.0
93.07037	24.6
95.04964	21.6
95.08600	20.6
97.06526	10.9
97.07610	1.3
98.21464	1.1
102.32618	1.1
103.05471	6.9
105.07025	32.2
107.04956	16.9
107.08588	44.1
109.06515	9.2
109.10155	5.2
111.08039	1.3
115.05442	2.3
116.06234	2.3
117.07029	14.1
119.08585	15.7
121.06498	34.9
121.10141	41.4
123.08062	6.3
128.06198	1.8
129.06982	4.7
130.07800	8.3
131.04938	6.4
131.08560	30.8
133.06505	2.9
133.10127	16.2
135.04459	1.4
135.08051	24.4
135.09082	1.2
135.11687	13.5
143.08560	5.8
144.09334	2.2
145.06476	3.0
145.10114	68.3
146.05896	1.1
146.10475	1.5
147.08043	5.1
147.11671	18.8
148.05156	2.4
148.08844	8.1
149.01231	1.5
149.05983	5.7
149.09601	17.1
149.13261	12.5
150.96841	1.9
157.06310	4.6
158.10922	8.0
160.05069	2.0
161.09625	1.9
162.10379	1.8
163.07530	7.1
163.11166	13.1
163.14804	8.4
173.09605	5.8
173.13251	25.8
176.11980	1.6
191.03386	3.9
191.06990	5.7
191.10686	17.6
191.14299	100.0
192.03174	4.1
192.14723	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.92503	0.8
53.03938	3.4
55.01877	4.5
55.05260	1.0
55.05511	18.5
56.05021	1.0
56.96554	3.1
57.03428	2.4
57.07072	5.8
59.04992	2.1
65.03928	2.1
67.05504	16.4
68.88120	0.8
69.03434	9.4
69.07065	21.4
69.07635	0.8
69.65846	3.6
69.66270	2.9
71.01349	0.8
71.04986	4.3
72.93790	1.7
79.05490	24.1
80.05016	1.0
81.03432	2.1
81.07058	22.1
83.04985	7.9
83.08626	9.0
84.04509	0.9
84.92831	0.9
85.06531	2.0
90.94823	2.1
91.05477	32.9
93.06460	1.8
93.07046	37.4
95.04968	11.6
95.08606	34.8
95.09061	0.6
97.02895	1.0
97.06522	5.6
98.21456	1.8
98.97593	8.5
101.05042	0.9
102.04692	1.2
103.05464	18.3
105.03382	1.5
105.07027	36.7
105.35997	0.8
107.04955	22.8
107.08594	62.4
109.06528	7.2
109.09449	1.4
109.10153	18.6
111.08051	3.2
115.05472	4.9
116.06210	2.7
116.98630	5.9
117.06207	1.3
117.07021	19.9
118.04136	3.1
119.00150	0.8
119.04961	1.6
119.05997	0.8
119.08586	24.5
119.09438	1.4
120.08115	1.7
121.06499	28.3
121.10146	34.4
121.11020	1.7
123.08061	8.6
123.11737	1.5
128.06209	1.6
129.07011	6.9
130.04120	1.9
130.07753	2.3
131.04935	13.2
131.08569	46.2
132.05630	1.1
132.95851	1.3
133.02852	2.1
133.06471	2.7
133.07452	1.2
133.10133	26.5
134.99675	1.5
135.04449	1.1
135.08052	34.3
135.11674	12.7
136.08650	1.1
137.09624	2.4
143.08553	9.1
144.09319	3.1
144.98033	1.7
145.06470	3.1
145.10124	27.8
146.03552	1.0
147.08078	2.5
147.11679	19.2
148.05199	9.1
148.08691	2.3
149.01224	2.0
149.05983	2.0
149.08412	1.0
149.09618	19.5
149.13254	15.4
149.96115	1.7
150.96938	2.4
155.08583	1.4
157.06404	1.4
158.10924	13.6
158.99606	4.5
159.04562	0.9
160.05022	7.6
161.09593	1.3
161.13237	3.0
163.06270	1.5
163.07549	14.5
163.11159	6.5
163.12335	1.2
163.14812	15.1
167.02345	1.4
167.97151	2.1
171.11659	0.9
173.09644	6.3
173.13261	49.7
176.04718	2.0
177.00697	6.4
191.03439	1.4
191.05461	0.9
191.07039	13.5
191.10614	7.7
191.14302	100.0
192.03206	3.2
192.14633	2.9
202.43394	0.9
205.90552	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.02391	0.8
55.05508	2.9
56.96557	2.7
57.03437	0.9
57.07066	2.1
59.05000	0.9
65.03911	1.2
66.84635	0.6
67.05502	4.3
69.03415	1.3
69.07062	12.3
70.81806	0.7
71.04990	6.1
71.15176	1.6
71.15515	1.6
72.33083	0.7
79.05487	8.3
81.07049	7.3
83.04978	1.5
83.08645	1.4
85.06537	3.5
91.04892	1.1
91.05471	21.1
93.07032	17.7
93.57948	0.9
95.04967	3.1
95.08601	9.2
97.06528	3.3
100.13125	0.7
103.05453	1.7
105.07024	50.6
106.07397	1.2
107.04944	2.4
107.08587	23.2
109.06491	4.7
109.10137	5.1
115.05460	2.1
116.06238	1.7
117.07018	5.0
118.07851	1.3
119.08585	11.6
121.06512	3.1
121.10146	17.7
123.08027	4.3
129.06995	2.9
130.07779	1.8
131.07574	1.7
131.08562	30.2
133.10124	100.0
135.08054	16.5
135.09111	1.1
135.11687	1.9
143.08546	3.4
144.09364	1.6
145.10121	11.8
147.08008	1.1
147.11688	9.4
149.01221	1.3
149.09587	7.8
149.13243	27.7
158.10880	8.8
161.09581	1.4
163.11218	2.2
173.09659	1.4
173.11731	1.5
173.13254	30.9
174.13580	0.9
191.06995	1.5
191.10634	6.2
191.14291	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	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03943	2.6
55.01867	2.8
55.05515	9.4
56.96551	5.8
57.07072	10.2
60.22002	1.6
65.03940	1.8
67.05495	29.7
69.03412	6.1
69.07069	12.4
70.77641	5.2
71.04984	22.0
75.17986	1.7
79.05487	24.2
81.07050	17.3
81.67149	1.7
83.04976	4.9
83.08607	4.2
85.06526	7.6
91.04953	2.8
91.05472	35.6
92.31155	1.6
93.07032	33.5
95.04964	16.3
95.08597	15.6
97.06534	9.5
103.05412	2.9
105.07023	45.8
107.04946	7.5
107.08584	60.3
109.06518	25.6
109.10141	63.1
111.08047	1.9
115.05436	4.0
116.06231	3.4
117.06994	18.2
119.08575	26.7
121.06464	10.8
121.10133	43.1
123.08045	19.8
129.06964	13.0
130.07768	4.4
131.04936	2.4
131.08554	87.2
133.00484	1.6
133.06480	2.3
133.10117	31.2
135.08044	54.5
135.11661	6.3
143.08566	16.2
144.09344	8.9
145.06525	3.7
145.10106	50.0
147.08018	6.1
147.11678	25.5
148.08824	3.9
149.09605	13.3
149.13222	19.2
150.10355	1.9
156.76056	1.7
158.10887	20.0
158.92879	2.0
160.05019	5.5
161.09569	2.4
163.11172	9.6
163.14821	3.5
173.09608	5.0
173.13245	100.0
174.13515	3.0
191.03323	3.3
191.06982	8.8
191.08571	2.9
191.10638	13.5
191.14291	92.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1067
Annotation	2,6-Dimethyldeca-2,4,6,8-tetraenedial
Peak:m/z	Relative Intensity
53.03932	5.1
55.01867	16.9
55.05497	6.2
56.05023	2.7
56.96560	6.8
57.03425	3.0
57.07061	3.4
65.03918	4.1
67.05499	29.8
69.03426	6.6
69.07075	6.6
71.01344	2.4
71.04975	3.0
71.59797	1.3
72.93781	3.9
75.53216	1.0
77.03898	1.1
79.05486	43.7
81.03387	3.2
81.07049	23.3
83.04979	12.2
84.04504	23.6
84.08173	1.0
85.06526	2.4
89.03918	1.3
90.94820	3.1
91.05474	92.9
92.05809	1.4
93.07038	33.6
95.04964	40.1
95.08615	7.2
97.06525	16.4
98.97541	1.1
99.04455	1.1
103.05463	13.3
105.03383	1.9
105.04506	1.9
105.07022	27.0
107.04948	100.0
107.08590	24.7
108.05246	1.7
108.08117	8.5
108.95869	1.4
109.02885	1.5
109.06509	17.2
109.10156	6.2
111.04440	2.7
112.00786	1.3
113.05959	1.2
115.05442	6.1
116.06226	2.1
117.03310	1.1
117.07015	32.2
118.04197	1.6
119.01655	1.4
119.04949	1.8
119.08576	15.4
120.51991	1.1
121.01080	6.8
121.02845	1.3
121.06482	13.1
121.10132	27.5
123.04420	6.4
123.08045	3.6
125.05987	2.3
127.83287	1.2
128.06184	2.3
129.07002	16.5
130.04097	1.3
130.07793	6.6
131.04915	16.7
131.08557	47.2
131.97479	1.4
132.05687	3.9
132.95815	2.5
133.06464	3.7
133.10136	8.9
135.04384	2.1
135.08044	15.4
135.11688	16.4
137.09619	1.3
143.07039	1.3
143.08548	3.5
144.05681	3.8
144.97995	3.8
145.06473	26.5
145.10110	60.4
146.05913	2.4
146.10431	1.4
147.08092	9.0
147.11656	4.8
148.05127	3.9
149.01231	3.1
149.05988	4.5
149.08466	2.0
149.09605	11.9
149.13281	2.8
149.96034	3.2
149.98427	1.6
150.96854	6.3
153.06979	3.9
154.07762	1.6
154.97185	9.0
155.08540	34.4
155.97952	16.7
158.07266	3.8
158.10913	1.6
160.05077	10.5
163.07547	9.0
163.11176	41.8
167.02243	2.1
167.97137	2.2
167.99640	1.3
173.09615	99.5
173.13176	7.3
174.09879	3.7
176.04507	1.5
177.42010	1.1
185.58990	1.3
190.94814	10.5
190.98851	2.1
191.03366	11.8
191.06967	10.9
191.10660	76.9
191.14302	27.7
191.16220	8.3
191.17876	2.2
192.11005	2.5
192.13922	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1066
Annotation	2,6-Dimethyldeca-2,4,6,8-tetraenedial
Peak:m/z	Relative Intensity
51.02364	2.3
53.03932	2.8
53.53386	1.4
55.01871	20.1
55.05503	8.0
56.96563	11.7
57.03431	2.1
57.07050	2.6
57.69519	1.3
60.52319	1.2
60.80719	1.3
65.03929	3.2
67.05507	36.9
69.03413	4.8
69.07069	20.3
69.73540	3.1
69.73941	5.1
70.06593	1.7
71.01331	1.5
71.04977	2.2
73.02917	1.7
77.03939	1.5
79.05493	49.2
81.03399	4.7
81.07057	29.1
83.04998	9.4
83.08607	2.3
84.04497	1.7
84.08102	2.1
85.02901	2.2
85.06492	2.0
91.05479	53.1
93.07043	66.4
94.07321	2.0
95.04978	15.3
95.08601	7.7
97.06521	14.9
98.97573	1.6
99.04428	2.2
101.00760	1.3
103.05454	5.8
105.07033	55.0
107.04933	12.9
107.08597	48.8
108.64571	1.6
109.02871	2.3
109.06532	8.2
109.10189	2.1
111.04438	4.2
115.05457	3.0
117.07012	31.8
118.06504	2.3
119.05927	1.6
119.08579	29.0
121.02867	2.2
121.06504	31.3
121.10143	51.3
121.11028	2.5
123.08077	3.4
125.05994	2.7
129.05447	4.8
129.06996	14.6
130.07806	12.0
131.04938	8.9
131.08575	47.9
131.97433	2.0
132.05661	1.8
133.06464	3.4
133.10121	10.2
135.04378	2.2
135.08038	19.0
135.11694	30.6
137.09631	2.4
143.08577	7.2
145.06502	13.3
145.10123	100.0
146.06001	8.0
146.10492	1.5
146.99580	1.7
147.06898	3.0
147.08044	7.0
147.11694	33.5
148.07552	4.4
148.11954	2.3
149.01181	1.9
149.05974	3.7
149.09610	15.9
149.13258	10.1
150.96823	1.7
153.06831	1.5
155.08537	10.3
157.15306	1.5
158.07172	2.2
158.10944	2.6
160.05049	1.8
161.09662	9.1
163.11180	96.2
163.14771	3.2
163.30850	1.8
164.11456	3.2
173.09622	43.7
173.13258	10.7
174.05473	2.5
175.05898	2.9
176.07053	3.1
176.11899	3.7
181.12241	5.2
191.03391	4.7
191.05612	1.5
191.06992	3.2
191.08908	12.5
191.10640	71.8
191.14301	99.9
192.06517	8.4
192.10100	10.8
192.14403	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1067
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
51.02402	0.8
53.03981	2.7
55.01869	3.4
55.05509	4.5
56.96562	4.6
57.03469	2.5
57.07107	2.5
59.05027	0.9
65.03977	2.0
66.04744	2.2
67.05505	10.2
68.99801	1.1
69.03425	4.2
69.07074	6.5
70.01517	1.3
70.01936	3.0
71.04994	3.3
72.35115	0.9
72.93828	3.2
77.03958	1.1
78.04738	1.0
79.05494	22.1
81.03428	1.9
81.07056	13.0
83.04980	4.3
83.08639	2.0
84.08190	0.7
85.02914	0.9
85.06568	1.7
89.03908	1.1
90.04741	1.8
90.94862	2.4
91.05479	43.4
92.05779	1.0
92.06281	1.8
92.40052	0.7
93.07044	19.9
93.07599	1.3
94.39112	0.7
95.04962	9.7
95.05436	0.9
95.08603	13.7
95.09138	1.0
97.02907	1.4
97.06523	3.6
98.97569	1.5
102.04681	3.9
103.05466	66.4
104.05750	1.0
105.03388	6.8
105.04504	1.4
105.07024	34.8
105.31520	0.6
106.07381	0.8
107.04947	16.3
107.06126	1.1
107.08593	27.3
109.06515	6.2
109.07654	1.5
109.10181	3.0
110.01200	0.7
111.04372	1.2
111.08087	2.2
115.05444	9.8
116.06257	4.4
116.98651	1.3
117.03364	0.9
117.07013	24.5
118.04163	18.5
118.06539	1.5
119.04971	7.1
119.08575	18.6
120.05739	2.7
121.06501	12.8
121.10140	14.9
121.94128	0.7
123.04466	1.4
123.08093	3.4
128.06276	1.7
129.07005	9.8
130.04153	6.9
130.07780	5.9
131.04926	38.5
131.08565	100.0
131.97427	2.3
132.05795	5.3
132.08893	1.7
132.95854	2.7
133.02843	14.1
133.06494	6.1
133.10124	10.8
134.99652	0.8
135.04405	2.5
135.08057	13.2
135.09026	0.5
135.11687	5.1
136.08653	0.9
143.08569	6.8
144.09317	2.1
144.97984	3.3
145.06514	14.1
145.07614	2.7
145.10112	51.6
146.03622	5.1
146.05978	2.7
146.10516	1.0
147.04375	2.9
147.08032	11.3
147.11685	7.2
147.26900	0.8
148.05183	34.8
148.08537	1.5
149.01204	2.8
149.06015	4.2
149.09612	17.9
149.13240	5.0
149.96072	2.5
149.98509	1.4
150.10190	1.4
150.96884	8.5
153.06918	0.9
155.08517	2.9
155.97421	0.8
158.07259	1.1
158.10928	7.1
159.04338	0.9
160.05064	12.8
160.12372	0.9
161.09608	1.7
161.13203	1.8
163.03850	1.3
163.07536	59.6
163.11176	7.6
163.14819	7.7
164.08005	1.7
166.98750	1.0
167.02232	2.0
167.97130	3.2
173.05919	4.7
173.07245	1.6
173.09613	21.8
173.13260	24.2
174.05380	0.8
176.04675	8.2
176.11993	1.1
177.00597	0.9
191.03299	2.1
191.06941	43.4
191.08284	2.4
191.10655	44.9
191.14296	46.8
191.97078	0.7
192.07503	2.4
192.10881	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.7
55.01881	2.9
55.05510	2.0
56.05027	1.4
56.96566	13.5
57.03434	3.5
57.07067	3.2
57.77719	1.4
58.99611	1.4
59.06118	1.6
60.04523	1.4
61.02921	3.5
65.03938	2.1
68.05019	2.1
69.03432	7.2
69.07063	4.4
69.26355	9.1
69.26776	4.6
70.06582	2.3
72.93792	7.0
73.02917	4.7
76.02228	1.5
76.04006	2.3
79.05492	8.1
80.05037	2.2
81.03410	3.6
81.04489	1.1
81.07052	3.2
81.28212	1.3
82.02921	1.8
83.04999	2.3
84.08134	2.7
85.02925	2.9
88.02227	15.8
90.03420	2.0
90.90385	1.2
90.94830	3.4
91.05475	14.9
92.05004	6.3
92.05785	1.5
93.07030	5.2
94.06572	1.9
95.04967	6.6
95.08574	1.9
96.04530	1.9
97.02894	3.4
97.78510	1.5
98.20666	2.5
98.97581	6.1
103.05453	3.8
104.04985	2.5
105.07020	5.9
106.06567	2.0
107.04968	20.5
107.08586	8.2
108.04501	1.6
109.02865	2.1
109.06494	1.7
109.07662	2.6
109.10171	3.2
110.06042	8.4
110.07160	2.6
110.97562	1.9
115.05425	2.0
116.05750	2.4
116.98620	5.6
117.05774	3.1
117.07031	3.5
118.06567	33.4
118.07346	1.9
119.01815	4.0
119.06100	2.6
119.06879	25.4
119.07732	1.5
119.08576	3.9
120.04493	8.7
120.06480	1.2
120.07211	8.6
120.08109	7.0
121.02874	2.4
121.06527	4.4
121.07586	8.0
121.10128	7.3
123.11713	2.9
124.03922	1.4
128.04955	4.7
128.98619	2.5
130.06508	5.4
131.04962	1.8
131.08548	4.6
131.97406	2.4
132.04451	4.3
132.95819	3.9
133.07553	2.1
133.10124	5.1
133.87628	1.3
134.05977	3.2
134.99681	7.6
135.04456	1.6
135.05515	1.7
135.06459	1.7
135.08041	7.0
135.09047	1.9
135.11708	2.5
136.08769	1.6
143.06898	2.5
144.07655	4.7
145.06462	2.8
145.07608	30.9
145.08447	5.0
145.10149	4.2
146.02335	3.3
146.06012	99.8
146.99652	5.0
147.04396	2.3
147.05519	4.5
147.06461	20.1
147.09137	3.2
147.11655	1.7
148.03932	100.0
148.07619	2.9
148.08679	2.5
149.01239	4.5
149.04436	3.6
149.06923	20.5
149.09621	3.1
149.13254	1.9
149.96127	2.4
149.98470	1.6
150.05510	2.8
150.96913	12.7
156.04413	3.0
158.10942	1.7
158.99635	1.9
162.05498	19.4
163.03841	1.7
163.05933	6.1
163.08710	3.0
163.11185	2.6
164.07027	3.1
165.00656	1.9
167.02258	3.0
167.05478	6.0
167.97113	3.1
169.03514	3.0
173.04716	1.5
173.07115	32.8
173.09430	1.8
173.13263	5.1
174.05510	62.7
174.07768	2.6
175.05815	4.1
176.06819	2.5
177.00694	4.1
177.07825	1.4
189.00723	2.4
190.98645	3.0
191.03326	3.1
191.05333	4.8
191.07957	30.1
191.11794	7.3
191.14293	19.6
191.97035	1.4
192.02866	2.7
192.06563	5.2
192.10222	9.7
201.00702	2.8
208.99643	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0813
Annotation	(-)-Chrysogine
Peak:m/z	Relative Intensity
55.01894	0.6
55.05548	0.8
56.96563	6.9
57.03458	1.7
57.07118	1.3
61.02948	0.8
65.03968	2.9
67.05508	1.2
69.03454	1.6
69.07101	1.2
69.63937	2.9
69.64365	2.3
70.06590	0.9
71.71784	0.7
72.93805	2.8
73.02937	1.9
77.03930	0.8
79.05477	3.5
80.05021	1.8
81.03446	2.0
81.07073	1.7
82.02943	3.6
83.04977	0.7
83.06132	0.9
84.08153	1.2
85.02927	1.4
88.02238	1.1
90.03472	2.7
90.94823	1.9
91.05475	8.5
92.05000	7.2
92.05836	2.1
93.07075	2.1
94.06578	3.0
95.04996	1.2
95.08620	1.3
96.04505	1.0
97.02934	1.9
98.20753	1.3
98.97606	2.6
99.00822	1.0
103.05482	1.7
104.05030	2.0
105.05790	1.0
105.07066	2.2
106.06574	1.5
107.04955	4.4
107.08614	2.8
108.04483	1.8
108.95917	1.1
109.02892	0.8
109.05279	1.9
109.06497	0.8
109.07629	1.1
109.10227	0.7
110.06039	6.7
112.03998	0.8
115.05470	1.5
116.05828	3.0
116.98655	2.4
117.05784	3.0
117.07061	2.1
118.06549	34.4
118.07315	2.2
119.04962	1.6
119.06123	1.8
119.06873	32.1
119.08625	1.3
120.04478	8.8
120.07220	7.9
120.08102	2.5
121.02847	0.7
121.06649	1.3
121.07576	8.7
121.08399	1.6
121.10159	2.5
122.06059	1.1
124.03983	1.9
128.04941	4.3
128.98587	1.6
130.02863	0.8
130.06516	5.6
131.04974	1.6
131.08592	1.7
131.97418	0.8
132.04468	2.3
132.06802	1.7
132.08162	0.9
132.95869	2.3
133.05212	1.3
133.10136	1.2
134.05997	3.8
134.99658	3.0
135.04411	1.1
135.08066	2.3
135.09143	1.2
135.11676	2.0
136.07613	1.1
143.06874	2.8
144.07668	6.0
145.05145	1.5
145.06435	1.2
145.07605	27.5
145.08476	8.1
145.09595	1.1
145.10110	1.8
146.02367	3.1
146.06003	90.3
146.08418	3.3
146.99677	2.0
147.04419	1.2
147.06409	21.5
147.09094	4.1
147.32765	0.8
148.03928	100.0
149.01234	2.5
149.04485	1.4
149.06879	25.1
149.09560	1.1
149.13220	1.2
149.96059	1.0
149.98505	0.8
150.05504	1.5
150.96886	8.8
155.06059	2.1
156.04417	3.0
158.99609	1.4
162.05499	11.1
162.07774	0.8
163.03867	0.9
163.05902	3.0
163.08656	3.9
163.11125	1.8
164.03389	0.9
164.07040	3.1
167.02255	0.8
167.05554	3.1
167.97112	2.2
171.06351	3.1
173.07098	27.9
173.13263	1.2
174.05499	54.0
174.07887	2.8
175.05850	1.8
177.00732	1.5
177.07791	0.8
190.98555	0.9
191.03444	1.8
191.05309	3.1
191.08060	37.1
191.14304	7.3
192.02881	1.4
192.06595	4.0
192.08429	1.2
192.10159	3.2
200.06183	0.8
201.00746	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0701
Annotation	1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid
Peak:m/z	Relative Intensity
53.03945	3.5
55.01848	4.7
55.05507	5.5
56.96556	6.7
57.03423	3.3
57.07061	4.1
65.03934	3.0
66.04716	3.3
67.05500	14.6
69.03431	6.2
69.07064	10.2
69.43737	5.7
69.44167	4.2
70.95840	1.1
71.04987	4.5
72.93774	4.4
76.03954	1.0
77.03913	2.0
79.05492	28.2
81.03421	2.4
81.07054	21.2
83.04973	6.5
83.08611	3.5
85.06525	2.4
88.02184	2.9
89.03925	1.1
90.04700	2.2
90.94824	2.6
91.05477	54.2
92.06248	2.9
93.06464	1.8
93.07039	31.4
95.04971	11.2
95.06106	1.3
95.08603	23.5
97.06537	4.9
98.97536	1.3
102.04665	6.1
103.05463	95.7
104.50303	0.9
105.03397	11.0
105.04488	2.5
105.07026	48.3
107.04944	17.2
107.08585	41.0
108.95852	1.9
109.06499	7.0
109.07628	1.4
109.10144	6.2
111.08063	3.6
115.05450	12.5
116.06213	3.8
116.98629	1.4
117.07005	27.7
118.03365	1.9
118.04154	23.6
118.04916	2.1
118.06543	3.1
119.04963	8.3
119.08568	26.0
120.05759	5.8
121.06507	12.6
121.10130	21.4
123.08069	3.5
128.06215	3.0
128.68063	1.1
129.06958	10.5
130.04109	9.1
130.07767	5.6
131.00150	1.8
131.04922	52.5
131.08560	100.0
131.97392	2.9
132.05696	4.7
132.95799	2.9
133.02847	19.7
133.06500	7.5
133.10104	16.8
135.04408	3.1
135.08046	20.9
135.11650	9.0
143.08553	8.7
144.09340	3.8
144.98016	3.4
145.03423	1.2
145.06499	15.6
145.07620	3.2
145.10115	56.0
146.03609	7.3
146.05936	2.6
147.04425	5.3
147.08049	9.8
147.11682	10.0
147.98787	1.1
148.05183	49.5
148.08746	2.8
148.97717	1.5
149.01192	1.9
149.05946	4.6
149.09616	17.7
149.13232	8.5
149.96123	2.6
149.98495	1.6
150.96863	5.8
155.08589	2.1
158.10905	12.3
159.04381	1.8
159.07983	1.6
160.05045	7.7
161.05965	2.4
161.13284	3.1
163.07536	77.7
163.11179	9.0
163.14818	14.0
164.07953	1.5
167.02202	1.4
167.97177	4.8
168.97847	1.2
171.11710	1.3
172.26685	1.0
173.05891	5.1
173.07268	2.4
173.09607	17.7
173.13252	44.9
176.04689	10.2
190.98753	1.3
191.03366	2.0
191.06937	54.3
191.10649	42.1
191.14294	68.9
192.07646	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	6.5
55.01863	10.6
55.05506	20.8
56.96563	90.3
57.03431	20.4
57.07071	14.0
61.02936	10.2
67.05511	19.1
69.03429	28.0
69.07060	18.5
70.06583	9.5
71.57733	6.6
71.58172	7.8
72.93780	10.9
73.02916	10.5
74.06060	10.5
74.97627	7.9
75.92395	6.1
79.05483	44.3
80.05033	8.2
81.03423	10.1
81.07053	33.0
83.04965	9.3
83.08627	9.2
84.04518	19.9
84.08138	18.3
85.02896	26.7
88.02215	55.9
90.94823	21.4
91.05480	70.5
93.07040	29.4
95.04971	22.3
95.08602	20.4
96.08128	9.1
97.02919	17.6
97.06538	11.8
98.97591	37.6
103.05482	18.7
105.07034	44.4
106.06515	6.5
107.04952	43.8
107.08605	49.4
109.06492	19.3
109.07658	24.7
109.10168	13.5
110.08362	7.5
110.15038	6.3
111.09190	9.8
115.05482	15.8
116.98618	27.7
117.07011	40.8
118.06548	16.4
119.04910	8.3
119.08594	32.8
120.08140	10.4
121.02898	9.9
121.06506	21.7
121.07595	10.2
121.10130	34.9
123.08051	8.5
123.11713	13.6
128.98705	7.0
129.07024	8.8
131.04912	8.6
131.06912	16.5
131.08574	49.0
131.97423	8.5
132.95856	10.2
133.06445	7.3
133.10143	26.0
134.06010	6.8
134.99661	20.1
135.04494	8.0
135.08043	30.0
135.11684	18.5
136.08728	8.1
143.08569	7.5
145.06483	71.0
145.08423	21.1
145.10126	44.9
146.06026	62.7
146.99675	13.1
147.04379	12.4
147.06381	15.4
147.08054	24.8
147.11678	14.2
148.07590	17.7
148.08775	17.3
149.01198	16.1
149.09644	20.1
149.13229	14.7
150.96938	38.0
150.99150	33.6
158.99654	7.9
162.05476	13.5
163.03923	7.1
163.06190	10.4
163.07527	13.3
163.11227	18.2
167.02251	9.6
167.05545	19.2
167.97200	19.1
169.00214	24.4
170.03442	7.6
173.09619	16.3
173.13232	24.9
174.05469	14.0
175.05923	20.7
176.04729	8.3
176.06728	22.4
177.00705	12.1
189.00783	9.3
191.03398	18.7
191.05417	17.3
191.07010	16.7
191.08951	83.0
191.10681	49.5
191.12808	16.6
191.14322	100.0
192.06598	23.6
192.10213	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0863
Annotation	3-Indolepropionic acid
Peak:m/z	Relative Intensity
55.01860	1.6
55.62206	0.6
56.96552	1.2
57.50804	0.6
64.49718	0.6
70.82877	2.0
73.02924	4.6
88.02193	1.2
90.25922	0.7
91.05482	3.7
92.48479	0.7
103.05474	1.6
105.52312	0.7
107.04953	1.2
114.16368	0.6
115.05457	3.7
117.05750	4.5
117.07006	8.9
118.06540	32.3
128.04956	0.6
130.06523	89.3
131.07384	1.2
132.08086	7.0
142.06487	0.8
143.07304	11.4
144.08080	100.0
145.06487	2.8
145.08362	1.5
146.06004	6.1
154.06538	2.3
155.06044	2.0
160.03952	0.9
160.07573	17.7
162.05489	1.1
172.07564	25.5
174.05498	4.9
175.06355	3.1
190.04994	2.0
190.08624	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	190.126
Annotation	EPTC
Peak:m/z	Relative Intensity
50.24282	0.3
50.99073	1.1
55.05519	0.9
56.96562	1.4
57.03446	0.5
57.07072	24.0
59.99110	4.9
62.99093	0.8
67.05510	0.8
69.03420	0.4
70.85746	1.0
70.90283	0.3
77.00905	0.5
78.00150	39.1
79.05493	1.0
81.07072	1.0
83.04947	0.4
83.08643	0.4
84.08171	0.8
86.09705	9.9
88.02200	0.5
91.05486	2.1
92.01711	1.0
93.07046	1.4
95.04965	0.4
95.08607	0.7
97.06590	0.5
98.21420	0.3
105.07040	1.6
107.04957	0.8
107.08605	0.7
109.10174	0.9
109.98336	0.4
116.05302	1.1
117.07050	0.6
119.08555	1.1
121.06519	0.6
121.10165	1.0
123.08015	0.5
131.04994	0.4
131.08562	1.0
133.10092	0.6
134.06346	48.5
135.06825	0.4
135.08076	0.9
145.10127	0.7
148.07889	3.4
149.08212	0.4
155.36665	0.3
167.09998	0.6
167.60194	0.3
167.97458	0.4
173.09633	0.4
173.13385	0.5
175.07480	0.5
190.12596	100.0
191.10623	1.1
191.12836	1.6
191.14368	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0864
Annotation	3-Indolepropionic acid
Peak:m/z	Relative Intensity
51.86509	0.5
55.01870	0.5
56.96560	0.8
70.70477	1.2
73.02923	4.5
78.98743	0.5
80.81870	0.5
91.05482	1.7
98.97544	0.7
100.90470	0.5
103.05466	1.8
105.38818	0.4
115.05453	2.0
116.98534	0.4
117.05752	2.3
117.07018	6.5
118.06544	29.9
118.56189	0.5
119.07330	1.1
125.94539	0.5
127.18550	0.4
128.05016	0.7
130.06526	100.0
131.07060	1.3
131.07213	1.4
132.08110	4.1
142.06416	0.5
143.07304	7.0
144.08084	79.5
145.06485	2.7
145.08394	0.8
146.06021	3.9
146.47266	0.5
154.06491	1.6
155.05994	1.2
159.06856	0.6
160.07576	4.7
162.05482	1.1
172.07571	14.9
174.05510	2.8
175.06339	2.4
190.04991	2.0
190.08624	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	190.0862
Annotation	6,7-Dimethoxyisoquinoline
Peak:m/z	Relative Intensity
56.56047	1.1
65.03955	1.0
66.03458	0.9
67.02993	5.0
68.05028	2.9
69.04546	1.4
70.06587	1.1
70.17361	2.8
75.67242	1.1
80.05016	7.7
80.46342	1.0
81.04539	4.5
83.06116	2.3
87.86966	1.0
93.04533	1.8
93.07075	1.1
95.06120	4.8
98.07189	1.2
105.04503	2.2
106.04033	1.2
107.06080	3.1
108.05598	7.2
109.06441	1.7
109.07660	1.5
110.07163	13.9
111.07944	4.8
120.05572	2.5
121.07629	2.7
122.07152	12.2
123.06697	1.5
123.07977	2.0
124.08675	1.4
132.04538	1.1
132.05559	2.3
134.06017	1.0
134.07103	2.6
135.06624	2.6
136.08711	4.4
137.09505	1.4
140.08101	1.1
140.66351	1.1
146.06003	22.1
146.07072	1.9
147.06773	12.2
148.08681	6.3
149.02332	3.9
149.08217	19.3
149.09332	2.0
150.09001	15.1
158.06021	1.3
160.03922	1.8
161.04720	1.6
162.05507	6.4
162.09145	1.2
163.09729	6.6
165.32512	1.0
173.08206	6.6
174.05515	19.7
175.06293	32.0
190.04988	10.0
190.08646	100.0
190.10864	20.8
191.09088	1.9
191.12798	1.2
207.10158	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44250	0.4
56.05030	1.6
60.08164	22.5
67.05501	3.8
70.06581	1.7
70.59135	1.2
74.02464	0.6
74.07198	0.7
84.08145	100.0
85.06534	1.7
85.08475	1.1
86.09739	0.5
91.08494	0.3
91.81337	0.4
102.09198	0.5
109.75633	0.3
130.08643	30.8
131.08983	0.4
144.13829	2.1
178.12402	0.3
189.15987	10.3
189.17659	0.6
197.29234	0.4
199.83998	0.3
204.98433	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44250	0.4
56.05030	1.6
60.08164	22.5
67.05501	3.8
70.06581	1.7
70.59135	1.2
74.02464	0.6
74.07198	0.7
84.08145	100.0
85.06534	1.7
85.08475	1.1
86.09739	0.5
91.08494	0.3
91.81337	0.4
102.09198	0.5
109.75633	0.3
130.08643	30.8
131.08983	0.4
144.13829	2.1
178.12402	0.3
189.15987	10.3
189.17659	0.6
197.29234	0.4
199.83998	0.3
204.98433	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1637
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
51.02389	2.2
53.03946	3.0
55.05500	6.3
65.03933	2.9
67.05511	28.3
69.07056	9.2
69.54136	16.3
76.67498	1.9
79.05492	37.0
81.07057	41.2
91.05479	55.8
93.07040	36.7
95.08617	42.8
101.62801	2.1
103.02448	6.4
105.07028	58.4
107.08592	43.9
109.10161	14.2
110.51514	2.1
117.71674	2.1
119.08582	37.9
121.03461	5.5
121.10152	38.0
122.03489	2.1
133.03461	5.9
133.10135	48.3
135.11729	2.4
145.10135	3.3
146.06024	5.4
147.06728	2.4
147.11678	33.1
151.04536	5.5
161.13264	6.9
162.05511	3.8
174.05505	3.5
175.06288	6.9
189.12755	6.5
189.16388	100.0
190.08640	22.2
201.57419	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	190.0863
Annotation	6,7-Dimethoxyisoquinoline
Peak:m/z	Relative Intensity
51.67358	0.4
54.03469	0.7
56.05032	1.0
66.03456	0.5
67.02977	2.3
68.05029	0.8
69.04539	0.6
70.11838	1.5
80.05006	3.3
81.04529	2.2
83.06085	0.9
93.04498	0.5
95.06092	1.8
105.04503	0.8
107.06079	1.4
108.05624	3.0
109.06383	0.6
109.07654	0.9
110.07175	6.7
111.07964	1.1
119.03656	0.7
119.06133	0.8
120.05590	1.7
121.07634	1.0
122.07153	5.1
123.06631	1.1
123.07965	0.7
124.08636	0.9
131.03423	0.9
132.04578	0.5
132.05588	1.5
134.06007	1.0
134.07030	0.7
135.06693	1.0
136.08675	0.7
141.11794	0.5
146.06029	12.1
146.07076	0.9
147.03166	1.2
147.06732	3.8
148.05127	0.6
148.07501	1.2
148.08691	2.8
149.02377	1.0
149.08214	8.7
149.09360	0.7
150.08997	7.0
160.03935	2.0
161.04770	1.2
162.05501	3.3
163.09785	3.1
173.08214	2.4
174.05508	9.8
175.06290	17.6
180.20586	0.6
190.05048	7.0
190.08636	100.0
190.10820	10.3
190.31165	0.6
191.09065	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	190.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.0
56.96576	1.9
71.33011	1.1
73.02914	5.3
74.95975	0.4
84.04495	2.1
84.08148	0.5
88.02218	1.2
89.03880	0.5
91.05489	4.8
95.08591	0.5
98.97570	1.0
102.18980	0.5
103.05479	1.7
106.06599	0.5
107.04975	1.1
115.05460	2.9
116.98626	1.0
117.05793	3.3
117.07022	7.9
118.06547	33.5
119.01839	0.5
119.06905	0.5
124.16334	0.6
130.06529	98.7
131.07208	1.8
132.04506	0.7
132.08063	6.3
133.09949	0.4
134.06030	0.6
134.99600	0.7
142.06522	0.6
143.07314	10.3
144.08086	100.0
144.95741	0.5
145.06503	3.1
145.08368	2.3
146.06024	6.4
147.03183	0.5
150.08926	0.7
154.06569	2.6
155.06038	1.3
159.06819	0.6
160.07584	15.0
162.05470	1.8
172.07573	24.3
173.07936	0.8
174.05536	4.3
175.06293	2.9
185.02895	0.5
190.04985	4.2
190.08618	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	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01859	1.2
55.05508	6.1
56.96544	1.5
57.03445	1.0
57.07064	0.8
61.02908	1.0
65.03921	1.3
67.02956	0.7
67.05498	4.1
69.03070	1.1
69.03422	15.8
69.07061	3.3
70.91537	0.8
70.91911	1.6
71.04961	0.6
73.02887	0.6
79.05479	5.2
80.38454	0.6
81.03389	2.2
81.07060	4.9
83.04970	5.3
84.04482	0.8
84.08143	0.7
84.15451	0.6
85.02878	1.1
91.04880	0.8
91.05470	14.2
93.07053	3.8
94.62657	0.5
95.04958	3.7
95.08590	1.7
98.97517	0.7
99.04443	1.5
102.17830	0.6
103.05437	1.8
105.07027	24.1
107.04953	1.2
107.08587	5.8
109.06521	1.3
109.07626	1.2
115.05430	3.0
117.07025	4.5
118.06536	1.5
119.04961	1.5
119.08570	46.8
120.08896	0.7
121.06541	3.5
121.10133	2.7
128.06206	3.5
129.05458	1.8
129.07030	3.8
130.07701	1.0
131.04924	0.9
131.08542	11.0
132.05685	1.0
133.06496	5.1
133.10135	17.5
134.05923	0.6
135.08043	6.2
140.32715	0.7
141.06970	4.1
142.07701	1.1
143.04871	0.8
143.08539	8.0
144.04501	1.2
144.05603	0.7
145.06458	4.0
145.10104	6.6
146.07204	1.7
146.10890	1.3
146.97449	0.9
147.08031	21.2
147.11676	24.4
148.11948	1.0
148.45996	0.6
148.97423	0.9
149.09508	1.6
155.08524	1.1
155.48453	0.6
156.09338	20.0
157.09659	0.6
159.08044	16.7
159.11644	4.1
160.05215	1.5
160.08826	8.9
161.05983	5.7
161.09619	10.5
161.13243	25.1
161.14597	1.4
162.05484	7.0
171.08020	0.7
171.11687	22.5
172.03868	1.9
173.09595	1.2
174.10394	36.8
175.10713	0.8
187.11115	0.7
189.05403	2.9
189.06598	3.0
189.09169	5.0
189.12724	100.0
190.04836	1.5
190.13098	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1346
Annotation	N(omega)-Methyl-L-arginine
Peak:m/z	Relative Intensity
56.05035	0.9
57.04560	10.2
57.04847	0.5
58.06601	0.3
60.08165	11.2
61.03359	0.2
64.31352	0.2
67.05521	1.3
68.05017	0.3
69.89983	0.6
69.90402	0.9
70.06593	100.0
70.54882	0.2
71.04993	2.5
71.06925	1.3
72.08157	7.1
74.07203	30.7
75.07529	0.3
75.89890	0.2
77.97848	0.2
79.49625	0.2
80.37404	0.3
81.03450	0.3
82.36353	0.2
84.08144	53.4
85.06522	0.4
85.08479	0.4
86.09705	0.4
88.07632	1.4
97.07640	0.5
98.06052	0.7
98.20815	0.3
98.97629	0.3
100.07634	0.3
112.08727	3.0
113.07120	0.4
114.10297	0.3
115.08704	6.1
116.07092	35.5
117.07429	0.5
119.01949	0.4
126.09226	0.6
126.10281	1.7
128.11775	0.3
128.85706	0.2
129.10271	0.3
130.08641	16.2
131.08965	0.3
133.09724	2.6
141.06615	0.4
144.11322	15.3
144.13759	1.5
145.11508	0.3
146.06012	0.4
158.09262	5.3
161.92706	0.3
171.12337	0.6
172.09607	0.4
172.10840	4.2
184.77408	0.3
189.13460	21.0
189.15987	4.9
190.08699	1.2
190.13750	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.5
55.01865	7.3
55.05507	4.3
56.96569	1.1
57.03418	0.9
65.03929	2.0
67.05174	1.3
67.05501	16.0
69.03428	5.4
69.07069	3.9
70.23184	2.7
70.23595	1.8
71.04968	1.1
71.85105	0.7
73.26225	0.8
79.05487	20.3
81.03411	1.2
81.07051	13.4
83.04987	3.9
83.08593	1.1
85.06531	1.2
91.05476	68.0
92.05808	1.3
93.07045	9.9
93.84240	0.8
95.04971	6.4
95.08608	6.2
96.15935	0.7
97.06505	3.1
99.04433	0.9
103.05443	2.5
105.07022	38.5
106.07283	0.9
107.04962	4.2
107.08585	4.1
109.06506	2.3
115.05436	3.7
117.07006	15.8
119.08577	21.2
121.06507	3.9
121.10122	2.2
123.08045	1.9
125.01572	1.3
127.29823	0.7
128.06218	7.2
129.06995	38.9
130.07762	2.8
131.08559	4.9
133.06491	3.7
133.10121	14.6
135.07957	1.2
141.06987	2.1
142.07715	1.7
143.07480	1.3
143.08545	20.8
145.10109	29.8
147.08041	8.5
147.11679	12.4
148.81989	0.7
154.01758	0.8
156.09302	3.8
159.11668	1.3
161.09662	4.1
161.13251	11.7
162.97073	0.9
171.11678	54.9
172.12041	1.9
188.98643	1.5
189.09140	2.3
189.12729	100.0
190.13071	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	189.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	1.8
56.96534	1.0
58.58614	1.0
59.80059	0.9
61.02902	1.0
69.03130	0.8
69.03426	9.1
69.07055	1.5
70.75655	2.4
70.76012	1.5
79.05484	2.4
80.14464	0.8
81.07049	1.0
83.04964	1.4
85.02897	1.4
88.61307	0.9
91.05488	8.0
93.07005	1.7
95.04932	1.5
95.08615	1.1
105.07015	16.2
107.04998	1.2
107.08573	1.9
115.05412	3.4
117.06999	4.2
119.08570	18.9
128.06203	4.1
129.06993	4.0
129.21439	0.9
130.07776	5.1
131.08549	6.9
133.06435	2.1
133.10110	7.4
141.06985	10.7
143.04878	1.9
143.08546	9.2
144.09303	2.8
145.06502	1.9
145.09027	1.5
145.10115	20.1
146.10876	1.4
147.08012	6.6
147.11690	13.5
155.08540	3.6
156.09326	63.5
157.09756	2.9
159.08047	6.0
159.11671	16.9
160.08803	1.8
161.05962	3.3
161.09584	2.4
161.13217	3.1
171.11673	75.7
172.12007	2.1
173.09467	1.2
174.06772	1.6
174.10408	8.9
189.05429	3.4
189.09103	4.0
189.12720	100.0
189.16225	2.3
190.05104	1.0
190.13074	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	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40794	0.9
52.62515	0.8
53.03921	1.2
55.01869	1.2
55.05494	2.3
56.96548	1.8
67.05483	0.8
69.03422	11.4
69.92102	2.3
69.92512	1.9
72.08127	1.4
72.93764	0.9
77.66707	0.8
79.05483	1.3
79.94748	0.9
81.07042	1.5
83.04967	2.4
83.82082	0.8
84.08134	1.0
85.02885	1.0
86.00644	0.7
86.09708	4.4
91.05480	7.6
93.07023	1.6
95.04949	1.3
99.04438	1.4
103.05456	1.1
103.72666	0.8
105.07032	15.3
107.04940	1.4
107.08566	2.1
115.05438	3.7
117.07017	5.8
119.06834	1.2
119.08575	18.0
121.06461	1.0
121.10112	1.5
128.06238	4.5
129.05457	1.7
129.07004	4.7
130.07753	4.9
131.08553	7.6
132.10164	1.5
133.06473	2.2
133.10112	4.9
134.99638	0.9
141.06987	10.5
143.08566	10.5
143.56136	0.8
144.09306	3.1
145.06429	2.9
145.10124	23.3
146.06084	1.2
146.07240	1.3
146.10878	1.7
147.06339	1.5
147.08023	6.5
147.11693	14.2
155.08505	4.6
156.09334	68.7
157.09647	1.0
159.08055	6.5
159.11673	18.6
160.05167	1.2
160.08813	1.3
161.05946	3.1
161.09584	3.0
161.13225	2.2
171.11678	82.1
172.12027	2.3
173.09573	1.4
174.06850	0.9
174.10358	7.7
189.05475	2.2
189.09116	3.8
189.12726	100.0
190.13054	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	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01868	1.8
55.05508	6.9
56.96548	5.3
57.03428	1.7
57.37156	1.2
61.02920	1.9
67.05494	3.7
68.05018	3.0
69.03072	1.7
69.03425	22.3
69.07066	2.4
70.04068	8.3
70.06560	1.2
70.94185	1.4
70.95837	1.3
70.99712	3.4
71.04980	1.6
74.25121	1.2
79.05476	4.6
79.73711	1.1
81.03390	2.1
81.07033	4.8
83.04978	7.9
83.06100	1.1
84.04520	1.7
84.08130	1.7
85.02870	4.3
86.09711	5.9
90.94741	1.1
91.05470	15.2
92.40397	1.3
93.07025	5.1
95.04953	2.9
95.06074	10.6
96.08109	4.1
98.97584	2.1
99.04467	2.2
103.05457	3.8
105.07021	27.9
107.04920	5.2
107.08568	4.2
107.76287	1.4
108.08067	1.7
109.06511	2.5
109.07635	2.3
111.04437	2.3
115.05426	8.8
116.98602	1.7
117.07004	9.5
118.06563	2.4
119.04980	2.2
119.06843	2.7
119.08572	34.2
121.06522	1.6
121.10113	2.4
128.06215	14.8
129.05432	4.7
129.06984	19.1
130.06543	2.8
130.07716	3.6
131.04958	2.7
131.08571	12.8
133.06506	9.5
133.07497	2.1
133.10123	11.7
134.05986	1.4
134.23599	1.6
134.99622	1.7
135.08063	1.7
141.06982	9.4
142.07816	1.5
143.04877	3.4
143.08530	14.5
144.02023	1.2
144.05692	1.5
144.09361	1.6
145.06464	10.4
145.10104	20.9
146.03621	1.5
146.06064	2.2
146.07254	3.4
146.10851	2.2
146.97351	3.2
147.04430	3.3
147.06410	4.0
147.08009	12.7
147.11681	20.2
148.07582	1.8
148.08673	3.0
149.09418	2.2
150.96892	1.7
155.06200	1.6
155.08556	3.4
156.09332	54.5
157.06461	5.5
158.07222	2.5
159.08014	10.9
159.11662	14.6
160.05191	11.6
160.08737	2.2
161.05968	28.7
161.08348	1.3
161.09607	10.7
161.13237	8.8
162.05396	1.2
167.97398	2.1
169.98984	1.4
171.08049	2.9
171.11674	70.7
171.15659	2.0
172.11983	2.0
174.06741	14.7
174.10387	14.4
189.05438	7.3
189.07098	3.5
189.09077	33.4
189.12717	100.0
189.16391	3.9
190.04988	2.2
190.08536	11.0
190.13287	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	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.9
55.01665	0.5
55.01868	6.6
55.05506	3.6
56.96558	0.7
57.03431	1.4
61.02896	0.9
65.03921	1.4
67.05173	1.1
67.05502	16.1
69.03425	6.9
69.07063	5.0
71.04987	0.8
71.20601	1.5
71.20966	0.6
72.93762	0.9
79.05486	18.6
81.03408	0.8
81.07052	10.7
83.04969	3.0
83.08628	0.9
85.02878	0.8
85.06538	1.1
86.04521	0.6
91.05473	73.9
92.05817	1.4
93.07037	11.4
95.04959	3.7
95.08601	5.2
97.06528	3.6
103.05448	2.5
105.07024	34.7
106.07372	0.9
107.04948	3.7
107.08605	4.2
109.06503	1.8
111.04432	0.8
111.08106	0.7
113.96408	1.3
115.05451	2.3
117.07016	13.8
119.08570	18.7
121.06496	3.7
121.10139	2.1
123.08057	1.3
128.06201	6.3
129.06995	38.3
130.07788	1.6
131.08545	4.8
131.97443	1.5
133.06450	2.5
133.10114	16.1
135.08052	1.8
141.06979	1.2
142.07715	1.5
143.08546	19.6
145.06444	0.9
145.10114	28.0
147.08034	8.7
147.11676	14.3
150.03128	0.8
155.08647	0.6
156.09340	3.4
159.11707	1.4
161.09645	3.6
161.13226	12.6
169.10135	1.6
171.11678	48.4
172.11998	1.3
174.10326	1.0
189.12727	100.0
190.13062	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	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35109	0.8
53.03938	1.7
55.01864	1.2
55.05507	4.9
56.96548	3.2
57.03426	1.6
59.06107	1.4
61.02929	0.8
63.02335	0.9
64.35873	0.8
67.05488	2.7
69.03426	17.0
69.07052	1.7
71.04965	1.5
71.59499	1.3
72.08138	1.6
75.04433	0.9
75.75988	0.8
76.30161	0.7
79.05492	2.9
80.43537	0.8
81.03376	2.0
81.07063	3.9
83.04962	6.1
83.08631	0.9
84.04465	1.0
84.08133	1.6
85.02913	4.2
86.09689	2.4
87.85869	0.7
88.96885	1.0
91.05475	10.5
93.07028	2.4
95.04947	2.4
95.06047	0.9
95.08584	1.6
98.97567	1.8
99.04449	1.3
103.05482	1.3
105.03409	0.9
105.07029	20.4
107.04949	3.3
107.08581	2.2
109.06490	1.5
111.04359	1.2
115.05435	5.6
116.06268	1.1
116.98634	1.5
117.07019	5.6
118.06554	1.4
119.04924	2.5
119.06840	2.0
119.08573	34.9
121.06480	1.8
121.10167	2.0
123.08066	1.0
128.06198	9.8
129.05470	2.5
129.07005	6.8
130.07779	2.9
131.04926	1.4
131.08560	10.4
132.05698	0.8
133.06465	5.5
133.10123	14.1
134.99619	1.0
135.08051	1.4
137.15170	0.9
141.06969	9.4
142.07774	1.1
143.04941	1.1
143.08553	11.8
144.05667	2.8
144.09328	1.7
145.06465	6.7
145.10121	16.2
146.06020	1.4
146.07230	1.7
146.97330	1.0
147.06320	2.4
147.08031	11.5
147.11674	17.1
148.08676	1.5
149.09480	2.1
153.07016	1.5
155.08559	2.7
156.09334	43.1
157.01399	1.0
157.06502	0.9
157.09756	1.0
159.08040	24.1
159.11647	8.9
160.05135	4.4
160.08839	6.1
161.05971	10.1
161.09604	7.9
161.13237	11.3
171.04309	1.1
171.08047	5.0
171.11674	45.9
172.03853	1.3
172.11951	1.2
173.09615	1.6
174.06729	1.5
174.10390	28.4
189.05411	5.0
189.09138	9.2
189.12727	100.0
189.16125	2.4
190.04805	1.1
190.13071	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	189.1235
Annotation	19461-38-2
Peak:m/z	Relative Intensity
55.05507	0.4
56.96562	0.9
57.03431	0.7
60.05639	0.5
60.37331	0.3
61.60257	0.4
69.07065	0.8
70.06597	3.3
70.97900	0.7
70.98301	0.6
72.08160	2.1
72.93779	0.4
75.05601	0.4
78.10202	0.3
82.84840	0.3
84.04506	1.0
84.08163	2.8
84.85477	0.3
86.09706	100.0
87.04459	0.9
87.10042	1.1
91.05480	0.4
98.06078	0.4
98.97583	1.1
105.07063	1.0
109.07687	0.4
115.03954	0.3
115.10651	0.4
116.07077	0.6
116.98635	1.2
119.08558	0.5
121.07740	0.4
128.82013	0.4
130.08662	1.0
132.10204	30.1
134.99654	1.2
143.08658	0.5
143.11803	14.6
144.08188	0.4
144.11252	0.5
146.06044	1.2
147.06390	0.4
147.08041	0.5
147.11655	0.4
147.96967	0.4
156.09392	0.7
156.63901	0.4
159.11787	0.4
162.05414	0.4
174.05533	1.0
175.06316	0.9
176.94342	0.4
189.09015	0.5
189.12663	1.2
190.04988	0.6
190.08614	5.0
207.23407	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01853	0.8
55.05499	5.3
56.96559	1.2
57.03428	1.4
60.49141	0.5
61.02907	1.1
61.70638	0.5
65.03924	0.9
67.05500	4.6
68.93707	0.5
69.03074	0.8
69.03423	10.5
69.07056	3.0
70.27087	2.4
71.81314	0.6
79.05486	5.8
81.03403	1.7
81.07053	5.0
83.04968	4.4
84.04465	0.6
85.02898	1.7
91.04963	1.0
91.05479	13.0
92.05778	0.5
93.07023	4.4
95.04939	3.3
95.08571	2.6
99.04444	1.2
103.05457	1.4
105.04465	0.7
105.07024	24.2
107.04947	1.0
107.08580	5.4
109.06506	7.4
115.05428	2.6
116.06247	1.2
117.07023	5.4
119.08570	33.2
121.06492	4.3
121.10129	2.3
123.08080	1.0
124.97637	0.6
128.06224	3.5
129.05466	1.4
129.07001	4.7
130.07759	3.7
131.08565	17.5
132.09416	0.7
133.05452	0.5
133.06464	3.1
133.09105	0.8
133.10115	16.3
134.07196	0.8
135.08017	1.4
138.06021	0.9
141.06976	4.0
142.07727	1.1
143.08556	8.5
144.09344	0.9
145.06462	3.2
145.10104	15.0
146.07220	1.3
146.10904	7.1
147.08032	13.0
147.11679	37.5
148.11995	0.6
155.08502	1.1
156.09334	17.5
159.08035	22.7
159.11662	2.0
160.08800	2.6
161.09621	4.4
161.13228	6.4
166.09132	2.2
171.11659	15.8
173.09653	4.8
174.10384	28.1
184.43370	0.5
185.79572	0.6
189.09204	3.1
189.12720	100.0
190.13013	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07251	1.2
54.26251	1.3
55.01867	3.1
55.05508	3.0
56.05030	2.1
56.96560	6.2
57.03431	5.5
60.08164	1.6
67.05492	4.8
68.99789	2.7
69.03429	2.6
69.07072	3.4
70.06588	10.7
71.58633	1.9
72.08156	4.1
72.60129	1.3
74.07195	2.2
79.05498	7.5
81.03416	3.5
81.07059	2.9
82.06571	1.8
83.04986	1.9
84.04489	2.1
84.08146	13.8
85.02906	19.2
86.00659	1.7
86.09699	8.1
87.00829	4.2
87.04479	1.9
91.05476	26.6
93.07046	2.9
93.98914	1.7
94.06557	3.0
95.04990	3.1
95.08589	2.7
97.02876	2.0
98.97587	5.1
103.05447	7.8
105.07027	24.9
107.04955	10.3
107.08578	2.9
108.08080	1.5
109.07603	1.7
111.05443	1.4
112.11224	2.2
115.05455	21.7
116.06264	3.1
116.07053	2.1
116.98616	6.3
117.07013	10.8
118.06527	3.1
118.24662	1.4
119.04957	2.5
119.06868	4.0
119.08571	17.6
120.08128	2.2
121.06499	2.7
123.08062	1.5
126.02118	1.3
128.06218	54.3
129.07007	19.5
130.06511	3.3
130.07709	1.6
130.08621	1.6
131.04936	6.1
131.08563	57.6
132.05688	2.8
133.06482	17.5
133.10123	8.7
134.99678	9.0
135.08080	2.4
141.06981	25.9
143.04895	2.4
143.08551	30.8
144.05707	38.7
144.08058	2.9
144.11264	1.8
145.06485	25.0
145.08374	1.8
145.10149	6.6
146.06027	6.9
146.07251	5.3
147.03123	2.3
147.04364	1.4
147.06430	4.1
147.08029	8.5
147.11696	5.7
148.08655	2.2
152.06197	16.7
153.06998	20.2
155.06027	6.6
156.09340	6.0
157.06528	6.7
158.07256	4.1
159.04436	8.3
159.08046	100.0
159.11707	3.1
160.08739	2.3
161.05983	5.4
161.07166	2.1
161.09612	15.8
161.13219	3.5
162.05463	3.1
169.06447	2.9
169.07651	14.5
170.07304	1.9
171.04355	2.4
171.08041	56.4
171.11716	9.9
172.08415	2.0
174.05498	3.7
174.06787	12.9
174.10382	3.5
175.06224	2.7
177.00688	2.3
181.07629	5.4
189.05482	5.5
189.09073	29.4
189.10904	2.3
189.11206	2.6
189.12660	20.4
189.16347	3.4
190.04974	5.1
190.08609	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	189.0909
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
53.03951	0.9
55.01876	2.8
55.05512	2.9
56.96567	1.8
57.03440	2.0
59.04963	0.6
61.02932	1.7
65.03945	1.5
65.69839	0.7
67.05505	2.2
68.99812	0.8
69.03423	13.6
69.07066	1.3
70.34289	0.6
71.04988	1.5
77.03943	0.7
79.05496	2.9
81.03414	1.8
81.07047	2.2
83.04974	4.0
85.02904	2.7
86.09700	0.6
86.50092	0.6
91.05471	19.7
93.07040	2.6
95.04967	2.4
95.08622	1.2
98.20700	1.1
98.97525	0.6
99.04438	1.4
103.05461	2.6
105.03370	0.7
105.07023	17.7
107.04946	6.6
107.08588	2.7
109.06503	2.0
111.04453	1.5
115.05444	17.3
116.06261	3.8
117.07021	7.3
119.04922	2.7
119.08561	15.4
119.09337	1.0
121.06525	3.7
121.10114	1.0
127.05413	0.8
128.06209	44.9
129.05463	2.4
129.07010	10.2
130.07814	1.6
131.04907	5.0
131.08554	58.6
132.05696	2.1
132.08868	0.7
133.06465	13.9
133.10106	9.4
141.06978	21.5
142.07729	1.2
143.04895	1.5
143.08546	29.2
143.09682	1.5
144.05687	31.3
145.06471	18.6
145.07619	0.9
145.10097	6.4
146.03650	1.0
146.07286	4.2
146.10822	0.9
147.04378	0.9
147.06345	0.7
147.08023	5.5
147.11668	17.0
152.06200	16.7
153.06987	17.2
154.07704	1.2
155.05997	4.5
156.06725	0.9
156.09332	11.7
157.06493	2.3
158.07195	3.2
159.08037	100.0
160.05202	1.5
160.08495	2.4
161.05972	5.7
161.07144	0.7
161.09610	18.4
161.13254	4.2
162.03746	1.0
169.06412	1.7
169.07628	12.1
170.07224	1.1
171.08032	62.9
171.11655	12.2
172.08412	1.2
174.06712	2.6
174.10373	5.2
181.07651	4.0
189.05478	3.3
189.07385	1.0
189.09091	15.6
189.12709	28.3
189.16328	2.4
190.15791	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0911
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
55.01870	0.5
55.05511	0.3
56.96548	0.4
57.03442	0.5
65.03928	0.2
67.05514	0.6
69.03448	0.4
70.06594	0.8
70.25581	0.5
70.25994	0.7
72.08158	0.6
75.05798	0.2
78.07608	0.2
79.05500	0.6
81.03425	0.3
81.07064	0.5
82.70768	0.2
84.08147	1.7
86.00647	0.8
86.09705	0.3
87.69606	0.2
88.05626	0.2
91.05476	5.8
93.07043	0.4
94.06580	0.6
95.04975	0.3
95.08631	0.3
96.08123	0.3
98.09717	0.2
103.05487	1.0
105.07030	2.2
107.04977	0.8
112.11243	0.4
115.05451	17.6
115.40477	0.2
116.06280	2.5
116.07040	0.4
117.07033	5.4
118.06545	0.4
119.06897	0.5
119.08592	1.9
119.92822	0.3
121.10197	0.3
124.61034	0.4
128.06223	7.8
129.07022	2.6
130.06517	0.4
130.07762	0.5
130.08630	0.3
131.04938	0.9
131.08562	1.5
133.06522	1.2
133.10110	0.7
134.99661	0.4
141.07001	1.0
142.07753	0.6
143.02745	0.6
143.04950	0.4
143.08542	2.4
144.05704	38.7
145.06499	9.8
145.10167	0.6
146.05975	2.2
146.06973	0.4
147.06335	0.7
147.08061	0.4
147.11670	0.6
148.08688	0.5
152.06137	0.3
153.06915	0.3
155.06076	0.5
156.09364	0.8
157.06456	0.5
158.07292	0.7
159.08052	1.4
160.03972	0.4
160.05176	0.4
161.04803	0.4
161.05992	1.5
161.09645	0.9
161.13222	0.4
162.05478	0.9
171.04445	0.4
171.08054	5.5
171.11732	1.2
174.05519	2.2
174.06807	0.4
174.10426	0.5
175.06264	1.6
189.09103	100.0
190.05013	1.5
190.08519	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	189.091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49640	0.6
53.03933	0.9
55.01863	3.1
55.05507	3.1
55.58125	0.6
56.96552	2.2
57.03431	2.1
58.62460	0.8
65.03936	1.3
65.78951	0.7
67.05489	2.4
69.03436	0.9
69.07060	1.9
70.06599	3.7
70.36999	2.0
72.04512	0.9
72.08141	2.5
79.05489	3.2
81.03397	1.1
81.07026	1.6
82.06574	1.1
83.04991	0.9
84.04518	0.9
84.08147	8.6
85.02905	2.2
86.00648	1.3
86.09704	3.5
86.54287	0.6
87.00883	0.8
91.05485	19.7
92.05812	1.2
93.07047	1.8
94.06561	3.1
95.04946	1.8
96.08130	1.3
98.09655	1.6
98.97569	1.4
103.05451	3.7
105.07037	13.8
106.06596	0.9
107.04945	9.2
107.08591	1.4
108.93621	0.8
109.07613	1.0
110.59987	0.6
112.11236	2.7
115.05457	18.8
116.06213	3.7
116.06979	1.1
116.98612	2.1
117.07025	8.1
118.06563	8.6
118.07330	1.4
119.04958	1.6
119.06104	1.0
119.06884	14.4
119.08581	6.6
120.05652	1.0
120.08096	1.8
120.63509	0.8
121.06503	2.0
124.60973	4.2
127.05390	0.8
128.06221	45.2
129.07014	10.6
130.06511	3.6
130.08614	1.6
131.04915	5.3
131.08568	55.4
132.05693	2.5
132.07986	1.0
132.08905	0.8
133.06493	14.0
133.08484	0.9
133.10109	6.0
134.05930	0.9
134.99631	2.0
141.06984	22.8
143.02859	0.9
143.04900	1.7
143.06876	1.4
143.07251	0.8
143.07559	0.5
143.08548	26.3
144.05702	34.1
144.08151	4.0
145.06500	23.8
145.08374	6.8
145.10155	1.5
146.05986	7.0
146.07237	4.9
147.04474	1.7
147.06355	20.7
147.07983	3.5
147.11674	3.8
148.08688	1.5
149.02336	0.8
152.06209	18.7
153.07004	17.5
154.07669	0.8
155.06041	5.2
156.09325	3.1
157.06467	1.3
158.07275	3.2
159.08054	100.0
160.03886	0.9
160.08441	2.3
161.05981	5.6
161.09625	13.9
161.13239	1.9
162.05518	1.7
169.06444	1.9
169.07649	14.0
170.07254	1.3
171.08046	60.3
171.11630	4.3
174.05473	2.5
174.06755	1.4
174.10382	2.0
175.06306	2.1
176.01727	0.8
181.07588	6.9
189.03842	0.9
189.05389	1.6
189.07343	4.6
189.09129	10.3
189.11212	1.6
189.12611	6.0
189.16327	3.6
190.04973	3.1
190.08612	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	189.0911
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
53.07251	1.2
54.26251	1.3
55.01867	3.1
55.05508	3.0
56.05030	2.1
56.96560	6.2
57.03431	5.5
60.08164	1.6
67.05492	4.8
68.99789	2.7
69.03429	2.6
69.07072	3.4
70.06588	10.7
71.58633	1.9
72.08156	4.1
72.60129	1.3
74.07195	2.2
79.05498	7.5
81.03416	3.5
81.07059	2.9
82.06571	1.8
83.04986	1.9
84.04489	2.1
84.08146	13.8
85.02906	19.2
86.00659	1.7
86.09699	8.1
87.00829	4.2
87.04479	1.9
91.05476	26.6
93.07046	2.9
93.98914	1.7
94.06557	3.0
95.04990	3.1
95.08589	2.7
97.02876	2.0
98.97587	5.1
103.05447	7.8
105.07027	24.9
107.04955	10.3
107.08578	2.9
108.08080	1.5
109.07603	1.7
111.05443	1.4
112.11224	2.2
115.05455	21.7
116.06264	3.1
116.07053	2.1
116.98616	6.3
117.07013	10.8
118.06527	3.1
118.24662	1.4
119.04957	2.5
119.06868	4.0
119.08571	17.6
120.08128	2.2
121.06499	2.7
123.08062	1.5
126.02118	1.3
128.06218	54.3
129.07007	19.5
130.06511	3.3
130.07709	1.6
130.08621	1.6
131.04936	6.1
131.08563	57.6
132.05688	2.8
133.06482	17.5
133.10123	8.7
134.99678	9.0
135.08080	2.4
141.06981	25.9
143.04895	2.4
143.08551	30.8
144.05707	38.7
144.08058	2.9
144.11264	1.8
145.06485	25.0
145.08374	1.8
145.10149	6.6
146.06027	6.9
146.07251	5.3
147.03123	2.3
147.04364	1.4
147.06430	4.1
147.08029	8.5
147.11696	5.7
148.08655	2.2
152.06197	16.7
153.06998	20.2
155.06027	6.6
156.09340	6.0
157.06528	6.7
158.07256	4.1
159.04436	8.3
159.08046	100.0
159.11707	3.1
160.08739	2.3
161.05983	5.4
161.07166	2.1
161.09612	15.8
161.13219	3.5
162.05463	3.1
169.06447	2.9
169.07651	14.5
170.07304	1.9
171.04355	2.4
171.08041	56.4
171.11716	9.9
172.08415	2.0
174.05498	3.7
174.06787	12.9
174.10382	3.5
175.06224	2.7
177.00688	2.3
181.07629	5.4
189.05482	5.5
189.09073	29.4
189.10904	2.3
189.11206	2.6
189.12660	20.4
189.16347	3.4
190.04974	5.1
190.08609	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	188.0917
Annotation	6-Acetamido-2-oxohexanoate
Peak:m/z	Relative Intensity
53.03943	4.4
55.01867	4.7
55.05505	8.5
55.93526	3.3
56.05030	15.4
56.96291	1.9
56.96565	34.5
57.03425	6.2
57.07065	4.0
58.06590	14.1
58.99821	1.5
59.04992	1.7
59.06116	2.9
60.04516	6.8
60.05647	2.1
60.08162	4.1
61.02924	7.6
61.04049	14.9
65.03934	2.1
67.05511	9.3
67.16936	1.3
68.05020	5.2
68.99782	1.8
69.03434	21.3
69.07057	2.9
69.75514	7.9
69.75928	2.1
70.02929	2.3
70.06591	28.4
70.95862	10.4
71.01350	3.2
71.04982	6.6
71.07372	1.9
72.04503	11.0
72.08151	100.0
72.93777	11.9
73.02926	7.3
74.06081	5.4
74.97597	2.5
75.05598	2.1
79.05489	10.7
80.05003	3.3
81.03411	8.1
81.07057	4.2
82.06577	14.4
83.01336	5.2
83.04969	12.3
83.06084	3.1
83.70641	1.6
84.04500	69.1
84.08135	23.1
84.96033	1.8
85.02905	18.6
85.04005	1.9
86.06068	12.1
86.09699	10.3
87.04459	26.3
87.05616	2.4
88.07628	2.6
88.11285	2.0
88.96905	4.0
88.99162	1.9
90.94827	9.3
91.05458	3.5
91.52011	1.3
94.06543	1.6
95.04965	15.7
96.04514	3.1
96.08158	5.2
97.02866	9.0
97.06522	3.8
97.07607	1.4
97.99223	2.6
98.02404	2.7
98.06053	42.1
98.09692	4.3
98.20798	2.3
98.97588	15.1
99.04468	7.7
99.09255	2.1
100.03978	4.8
100.07613	69.4
101.02375	2.1
101.06010	2.2
102.05551	5.5
102.09184	1.8
105.07022	2.2
105.93473	1.6
106.06564	5.2
107.04939	11.7
108.95846	3.1
109.02885	3.7
109.06428	2.0
110.01292	1.8
110.06054	7.6
110.97550	1.5
111.04436	5.4
111.98430	1.9
112.07600	4.6
112.11265	6.4
113.06001	3.1
113.07154	2.4
113.96387	2.6
114.05521	7.2
114.09177	15.8
116.00245	2.6
116.03488	2.8
116.07086	36.0
116.96375	2.4
116.97196	2.6
116.98600	15.5
117.05506	2.9
117.10249	5.0
118.96773	2.1
119.01869	7.0
121.01604	2.1
121.06478	2.1
122.09643	3.0
123.04425	11.6
124.05185	7.4
124.07587	9.5
124.11208	7.8
125.05998	11.5
126.05518	5.3
126.09124	7.2
127.03926	3.6
128.02303	3.1
128.03432	2.3
128.06160	1.9
128.07062	21.1
128.98599	1.7
129.05475	2.9
129.10265	3.2
129.99551	1.7
130.05013	4.5
130.08620	4.3
131.01869	1.9
131.11786	1.8
131.97453	4.1
132.95828	5.7
133.06508	2.5
134.06020	3.5
134.99667	22.5
135.04408	5.1
136.05231	8.0
137.02924	2.0
137.05952	7.9
138.54182	2.0
140.06995	1.6
141.05440	2.4
142.04984	4.6
142.08609	9.2
142.12273	46.4
143.11794	3.3
144.01038	9.2
144.10188	13.5
145.99004	4.1
146.01274	3.1
146.08087	5.0
146.97363	2.6
146.99657	5.3
147.96896	1.8
150.96902	14.9
150.99171	1.8
152.07088	11.4
152.10693	3.8
153.00710	6.1
153.05460	19.6
156.03955	3.7
160.07526	3.4
160.09697	4.2
161.01253	3.7
161.02992	2.2
162.02086	3.9
163.02750	2.4
163.97661	2.9
164.02313	5.8
164.97206	2.6
164.98491	7.8
165.00760	4.2
168.03705	2.8
170.06342	6.5
170.08122	17.3
170.11758	6.7
171.06537	2.4
171.14932	23.0
172.09743	4.8
173.98550	3.3
177.00688	3.3
177.04149	2.4
181.98778	2.4
182.03369	4.3
183.01743	2.6
183.05051	1.7
188.07129	5.9
188.09181	31.1
188.10625	3.4
188.12714	11.1
188.14206	1.7
188.17661	15.2
205.98805	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	188.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
63.38823	0.5
70.61806	1.1
70.62148	0.8
91.05472	7.0
93.38289	0.4
95.22906	0.5
103.05446	1.3
104.12845	0.5
112.40593	0.5
115.05443	7.9
115.37159	0.6
117.05766	2.6
117.06995	6.0
118.06533	88.8
119.06879	1.5
132.08047	0.9
142.06522	7.7
143.07289	14.0
144.04437	0.8
144.08075	24.6
145.06464	1.7
146.05998	100.0
147.06322	2.0
155.06001	0.9
160.07570	1.1
170.06010	9.4
188.07062	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0705
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
53.28020	0.4
54.11310	0.3
54.17116	0.4
57.11882	0.3
62.29303	0.4
63.02353	0.4
63.31044	0.3
71.19028	0.8
89.03947	0.4
91.05478	8.2
92.05779	0.4
93.74654	0.4
103.05482	0.8
115.05459	11.0
116.06287	0.4
117.05762	2.6
117.07008	6.2
118.06542	100.0
119.06876	3.0
128.04968	0.5
132.08086	0.9
142.06511	7.4
143.07309	16.8
144.04424	0.8
144.08083	25.9
145.06497	1.5
145.08395	0.7
146.06009	94.3
147.06361	2.4
155.06035	1.0
160.07538	0.8
170.06013	9.9
188.07057	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	188.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88201	0.2
53.29131	0.3
55.01888	0.2
55.05513	0.8
56.05033	0.6
56.96564	1.2
57.03444	0.5
60.04531	0.3
61.02924	0.5
67.05508	0.4
69.03430	0.9
69.07068	0.5
70.06583	0.4
70.32608	0.4
70.33000	0.5
70.95913	0.3
72.04524	0.5
72.08155	0.4
72.93797	1.0
79.05518	0.3
82.06580	0.4
83.01334	0.4
83.04985	0.8
83.08651	0.3
84.04500	6.4
85.02910	1.5
86.06052	0.4
87.04470	1.2
87.88100	0.2
91.05477	5.3
95.08601	0.3
97.55286	0.2
98.06098	0.2
99.04458	0.3
100.07596	0.5
100.17023	0.2
102.05563	0.4
103.05468	0.7
105.07033	0.6
110.06071	0.3
111.04479	0.4
115.05452	6.6
116.06204	0.4
117.05782	1.4
117.07011	5.1
118.06538	70.1
119.06895	1.7
119.08556	0.5
121.06491	0.2
126.05524	0.4
128.04951	0.5
128.06192	0.7
128.07088	1.2
129.05452	0.4
129.06972	0.3
132.08054	1.2
133.06502	0.5
134.97411	0.3
137.65746	0.2
142.05457	0.5
142.06520	7.0
142.08710	0.3
142.12251	0.4
143.07312	11.2
144.04446	1.0
144.08081	24.4
145.06483	1.2
145.08551	0.4
146.06001	100.0
146.91814	0.3
147.06366	1.9
147.08054	0.4
149.01231	0.6
155.06024	0.6
156.09262	0.4
158.02672	0.2
160.05121	0.4
160.07535	1.3
160.09682	0.4
161.05968	1.0
161.09659	0.4
164.92874	0.3
164.98509	1.3
170.06010	10.1
170.08121	0.5
170.15315	0.3
188.07042	19.9
188.09106	1.4
188.14346	0.5
189.07434	0.4
189.09131	0.7
189.12738	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79687	0.2
54.91186	0.2
55.01860	0.3
55.05513	0.3
56.96556	0.4
60.04538	0.3
61.02915	0.3
68.85310	0.2
69.03424	0.7
71.60040	0.5
72.08167	0.4
83.01358	0.2
83.04969	0.4
83.74665	0.2
84.04497	3.2
84.08138	0.2
85.02904	1.0
87.04472	0.4
90.94801	0.3
91.05473	5.0
98.97596	0.3
100.07599	0.3
103.05460	0.7
105.07032	0.6
115.05447	6.6
116.06255	0.3
116.98605	0.2
117.05779	1.9
117.07010	4.6
118.06536	74.7
119.06886	1.2
119.08562	0.9
121.10093	0.3
126.05553	0.3
127.24938	0.2
128.04947	0.3
128.06192	0.3
128.07060	0.5
131.08595	0.3
132.08095	0.8
133.10123	0.4
134.97433	0.3
142.06520	6.6
142.12346	0.3
142.49174	0.2
143.07306	11.6
144.04430	0.8
144.08086	23.2
144.62619	0.2
145.06497	0.9
145.08405	0.6
146.06001	100.0
147.06371	2.2
147.07472	0.3
147.08018	0.4
147.11639	0.5
155.06041	0.9
156.09354	0.6
159.07983	0.3
160.07574	1.7
161.05930	0.4
161.13260	0.5
162.01909	0.3
168.19272	0.2
170.06001	9.2
170.11549	0.2
171.06366	0.3
171.11578	0.5
174.10408	0.9
181.21637	0.2
188.07054	19.3
188.08995	0.7
189.05479	0.5
189.07358	0.6
189.12695	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0705
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
55.01873	0.4
56.96566	0.4
57.03434	0.3
58.17086	0.2
60.04519	0.5
60.22721	0.2
69.03435	1.0
69.82823	1.0
69.83233	0.4
71.04987	1.2
72.08159	0.5
74.06087	0.4
83.04942	0.3
84.04497	2.4
85.02914	0.4
86.06084	0.5
87.04469	0.9
88.07630	0.9
91.05473	5.6
94.25347	0.3
98.21446	0.3
98.97549	0.3
100.04010	0.3
103.05479	0.8
105.07041	0.4
105.53286	0.2
106.06594	0.3
107.04955	1.1
115.05448	7.3
116.98602	0.3
117.05801	1.7
117.07028	4.7
118.06534	70.9
119.06863	1.5
128.04965	0.3
128.06204	0.6
128.07088	0.6
129.05495	0.5
131.08569	0.4
132.08066	1.1
135.07999	0.3
141.06923	0.2
142.06509	7.0
143.07303	12.8
144.04419	0.9
144.08078	24.0
144.13800	0.4
145.06548	1.3
145.08441	0.5
146.05998	100.0
147.06366	2.1
147.07462	0.3
147.08009	0.2
155.06013	0.8
159.08038	0.9
160.05205	0.3
160.07561	0.9
160.08609	0.5
161.05983	0.9
161.09561	0.3
170.06006	8.7
171.08011	0.6
188.07036	18.5
188.09093	0.6
188.16383	0.7
189.07339	0.7
189.09094	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87162	3.6
55.05510	5.2
56.05016	4.9
56.96562	29.1
57.03426	5.8
57.07057	14.7
58.06584	6.3
59.15248	3.6
59.16291	4.0
61.02916	6.9
67.05495	5.5
67.21428	3.6
69.03404	12.5
69.07063	6.6
71.58166	7.5
72.04515	5.3
72.08151	7.0
73.91718	4.0
77.00903	9.6
79.05473	5.1
82.38010	4.1
83.04958	9.2
84.04498	72.6
84.08135	9.1
85.02883	15.2
86.06037	5.3
87.04433	4.8
98.97563	16.3
100.02448	15.7
100.07597	5.6
101.00853	8.3
102.02193	4.2
102.96918	4.4
103.00572	5.2
103.02434	20.3
110.05997	4.3
112.07568	4.4
115.02441	6.7
116.98604	23.0
118.03499	14.4
119.01913	100.0
120.01995	27.9
120.04443	4.1
120.63383	4.0
120.76396	3.9
121.01652	68.9
121.02443	7.3
121.03451	18.3
122.01994	11.1
123.02097	28.2
123.17724	4.4
124.99807	4.4
126.05441	5.1
128.07040	5.5
131.01936	4.2
133.03444	7.5
134.99658	43.1
136.04536	5.2
137.02957	45.0
138.03052	19.2
138.04195	5.9
139.02690	37.8
141.03099	15.1
141.04939	5.2
142.03476	16.7
142.05128	4.4
144.03218	8.2
145.05151	6.1
146.02911	5.9
146.99600	6.7
147.03133	5.7
147.05034	20.1
151.04445	3.7
153.00699	14.1
160.04526	15.3
160.09644	5.4
161.02946	9.5
161.04529	5.7
162.04288	7.2
163.04507	4.4
164.02332	5.1
165.04037	34.8
165.06143	10.4
166.00549	4.6
172.04611	9.6
173.02960	5.7
174.69186	4.1
174.97652	4.5
176.04105	4.5
177.00931	11.0
178.00981	6.5
178.05708	4.9
182.98074	5.2
183.05008	56.3
188.04454	8.7
188.05939	7.1
188.07530	12.7
188.09210	12.8
189.06020	16.4
207.05168	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	187.1481
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03944	0.9
55.05502	2.9
55.22609	0.7
57.07064	3.5
58.74393	0.7
58.93229	0.7
65.03964	1.4
67.05506	14.3
69.03411	1.0
69.07072	5.5
69.26435	8.6
70.95854	1.2
71.10794	0.8
72.93787	3.0
79.05064	1.0
79.05492	9.1
81.03393	2.4
81.07067	8.6
83.08626	1.6
84.04501	1.5
85.02903	1.6
88.02208	2.5
88.96883	1.1
90.94804	1.2
91.05487	31.7
93.07048	9.6
95.04971	1.3
95.08611	5.5
99.04578	0.9
103.02456	3.7
105.07033	23.7
107.08582	5.5
109.10139	1.2
110.03307	0.9
112.99998	5.1
113.96333	1.0
114.05496	0.9
115.05452	3.0
115.96650	1.1
116.06255	1.9
117.07028	25.4
118.07360	1.1
119.08583	20.1
121.03471	2.7
121.10148	3.9
126.05567	0.9
127.05823	1.1
129.07013	4.5
130.07787	5.0
131.08572	63.8
132.08919	0.8
133.03468	2.5
133.10120	5.4
133.97714	1.3
134.97417	2.3
141.07043	1.0
143.08557	3.2
144.09352	1.7
145.10126	100.0
146.10484	3.4
151.04483	1.9
159.06935	1.3
159.10643	1.1
159.11716	13.0
163.98775	3.7
164.98412	5.7
167.07870	0.8
187.11234	2.7
187.14827	70.5
188.00027	1.1
188.15164	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	187.1481
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
51.99537	0.3
53.03928	0.7
55.05499	1.6
56.96560	6.8
57.07074	4.1
65.03932	0.5
66.98639	0.4
67.05511	1.8
69.03428	1.3
69.07055	0.6
70.78157	1.0
72.93855	0.3
79.05489	6.4
80.05815	0.4
81.03403	1.2
81.07046	3.4
83.08611	0.5
84.04500	0.9
88.02213	1.1
91.02339	0.4
91.05470	6.7
91.06004	0.6
93.07023	1.3
95.04961	1.0
95.08611	1.2
101.02670	0.4
102.33529	0.3
103.05466	0.6
105.03384	0.6
105.07026	11.1
106.07499	0.4
107.08585	10.4
108.08902	0.8
109.06516	0.8
112.99996	0.7
115.05463	1.3
117.07005	6.7
119.08581	8.5
128.04880	1.3
128.06200	2.7
128.07074	0.7
129.02240	0.4
129.06998	4.7
130.07782	6.8
131.08565	10.6
131.09514	0.8
131.65477	0.3
133.10123	2.1
135.05626	0.5
137.05374	0.4
141.06996	1.5
142.07762	1.2
143.08563	9.5
144.09364	3.6
145.06474	1.3
145.10115	100.0
146.10445	2.5
147.03246	0.7
154.07759	2.2
155.03883	0.4
157.10118	9.3
158.07285	0.6
158.10921	5.4
159.08076	1.3
159.11694	14.7
160.12025	0.5
166.08284	1.7
167.08672	0.4
169.10129	6.1
170.10846	0.5
171.03342	0.7
171.11639	0.4
172.08830	5.1
172.12477	7.8
173.04886	0.8
175.02835	0.5
175.08815	2.5
175.58952	0.8
177.59119	0.4
178.09068	0.4
181.05392	0.4
184.09297	0.6
185.13298	0.9
186.59563	0.4
187.11197	11.7
187.14813	49.3
187.22453	0.7
188.15146	1.7
191.05823	0.4
199.06354	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24000	0.9
51.29692	0.9
53.03927	3.2
53.29457	1.1
53.92324	0.9
55.01851	3.2
55.05506	5.7
56.04979	0.9
56.96332	1.0
56.96558	11.1
57.07051	4.1
61.27249	0.9
65.03916	1.8
67.05499	11.9
69.03431	4.8
69.07043	3.7
69.57444	3.3
69.57874	4.3
71.04993	1.3
79.05486	8.9
81.03410	9.1
81.07052	11.2
83.04946	1.2
83.08641	2.0
84.04475	2.7
85.02889	2.4
88.02193	4.1
91.05474	17.1
93.07038	5.2
95.04964	6.0
95.08598	2.3
97.02879	1.1
103.05448	2.8
105.07024	33.9
107.04974	5.6
107.08578	1.7
109.02921	1.4
109.06509	1.1
113.00018	12.9
115.05373	6.0
116.06195	3.2
117.07005	22.4
118.07328	1.1
119.04908	2.3
119.08568	21.2
121.06465	2.3
127.03931	1.7
127.97379	1.1
128.06175	5.3
129.06999	21.0
130.07780	11.7
131.04898	2.0
131.08556	41.3
131.56863	1.5
133.06471	2.9
133.10127	2.0
137.05354	1.8
141.06976	7.3
142.07765	14.8
143.07516	1.9
143.08553	17.5
144.05783	1.7
144.09314	20.5
145.06480	16.4
145.10110	100.0
146.07161	1.1
149.05402	4.6
153.06970	1.6
154.07773	10.3
157.06549	1.7
157.10120	22.0
158.05934	5.6
158.07280	4.4
158.10919	7.6
159.08083	9.9
159.11681	51.7
160.56151	1.5
169.10100	15.6
172.08800	6.3
172.12462	12.6
175.08742	1.3
187.07555	2.1
187.11177	49.4
187.14795	50.2
188.09201	1.8
189.04263	1.3
203.05898	1.9
209.04808	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07190	1.9
53.03929	5.8
55.01868	3.9
55.05491	6.5
56.96558	11.3
65.03926	2.5
67.05498	10.5
69.03422	9.9
69.07053	3.0
70.06587	3.0
71.04994	3.2
71.84057	1.8
72.04488	2.7
72.93772	4.2
75.01058	2.0
79.05482	14.7
81.03416	15.4
81.07036	8.5
83.08595	3.0
84.04488	8.4
85.02897	8.7
87.04482	2.7
88.02200	13.1
88.96873	3.0
90.94785	2.6
91.05476	23.1
93.07033	18.5
95.04945	14.4
95.08614	3.8
97.02869	3.2
103.05441	5.8
105.07032	25.2
107.04945	18.5
107.08546	1.9
109.02921	4.9
115.05424	7.0
116.06227	4.4
116.98660	2.5
117.07011	18.8
118.06534	4.3
119.08565	11.3
121.06471	6.7
126.05498	2.0
127.05876	2.1
128.06206	6.3
128.07095	3.3
129.07025	18.1
129.89764	2.0
130.07805	8.1
131.04900	6.5
131.08563	40.8
131.54622	1.9
131.97412	2.6
133.06490	2.4
134.97287	2.4
135.05629	2.6
136.06148	2.7
141.06963	14.7
142.07732	4.0
143.08530	10.6
144.05606	12.7
144.08289	2.3
144.09325	15.3
145.06467	29.4
145.10109	39.4
145.99007	2.2
146.05974	6.3
146.07147	3.6
154.07768	8.0
155.06038	2.3
157.06429	4.7
157.10092	3.2
158.07243	16.4
159.04408	5.3
159.06845	3.2
159.08052	37.5
159.09258	4.3
159.11684	43.6
160.11974	2.4
162.96805	2.3
163.97656	3.2
164.92804	3.7
164.98422	4.2
169.06424	2.8
169.10103	15.7
171.08023	2.8
172.05232	11.9
172.08823	24.9
172.12401	2.4
175.11020	2.3
176.11166	2.4
187.03885	9.4
187.07500	27.5
187.11160	100.0
187.14789	22.8
188.09123	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	187.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
53.11207	0.3
55.01858	0.4
55.05500	1.2
56.96566	2.8
57.03427	0.5
57.07064	0.6
61.64824	0.3
61.78191	0.3
67.05488	1.8
69.03424	2.0
69.07053	1.5
69.79113	1.8
71.08623	0.9
79.05478	1.3
81.03404	2.4
81.07044	1.0
83.08627	0.9
84.04483	1.0
85.02892	1.1
88.02217	2.2
91.05483	2.7
93.07047	0.9
95.04953	0.7
103.05444	2.9
105.07030	1.9
107.04953	1.3
107.08592	1.0
109.02885	0.6
113.03120	0.4
114.05473	0.4
115.05366	1.7
117.07011	13.5
119.08556	1.2
127.05383	0.3
128.06221	0.6
128.07071	0.5
129.06989	1.3
130.07809	0.5
131.04942	1.1
131.08560	6.2
133.06470	0.5
136.06226	0.5
141.06960	0.6
143.08554	0.9
144.05692	4.2
144.09303	0.4
145.06473	100.0
145.10110	6.7
146.06871	1.3
146.91788	0.4
154.07700	0.4
154.68243	0.4
155.06024	6.3
157.06520	0.4
157.10146	0.7
158.07246	1.6
158.10915	0.4
159.08060	3.4
159.11671	2.0
166.09200	0.8
169.10063	0.7
170.10278	0.3
172.08818	0.8
176.10466	0.4
187.03906	0.8
187.07597	1.4
187.11172	19.0
187.14799	4.3
188.09175	0.6
188.11476	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0755
Annotation	(+/-)-trans-Acenaphthene-1,2-diol
Peak:m/z	Relative Intensity
50.59732	0.8
55.01862	3.3
55.05506	4.8
56.96563	5.5
57.03415	1.1
58.58888	0.9
67.05495	2.7
67.06888	0.8
68.05042	1.0
69.03413	2.7
70.06584	3.4
70.83877	0.9
70.84200	1.8
72.08152	2.4
72.93771	1.1
79.05485	1.2
81.03423	4.3
81.07038	1.3
82.06580	2.0
83.08615	2.0
84.04488	2.9
84.08118	6.1
85.02896	5.5
85.04842	1.8
85.08441	1.1
86.03220	3.3
86.06070	0.9
86.09686	0.9
88.02234	4.9
91.05484	19.6
94.88012	0.9
95.04939	1.7
98.05997	1.5
98.09721	1.4
98.97572	3.7
99.04445	1.5
103.05459	4.6
105.03333	1.0
105.07018	1.7
112.11230	1.5
113.11621	1.6
113.96429	1.2
114.05514	4.0
115.05409	34.9
116.06267	10.2
116.98611	3.6
117.07029	6.5
118.06549	8.5
119.08595	1.2
121.00805	1.0
126.05528	1.7
127.03929	1.5
127.05898	4.6
128.03589	0.9
128.06262	6.2
128.07074	1.6
129.07010	23.0
130.07809	1.6
131.04926	13.4
131.08568	18.8
132.08029	1.0
132.95842	1.0
133.06490	1.0
134.99675	3.4
139.01801	1.2
141.06992	28.0
142.06401	1.0
142.07596	2.0
143.07243	1.2
144.05704	79.8
144.08081	3.5
145.06500	22.5
145.10143	4.3
146.06013	12.2
149.01222	1.4
156.05780	1.1
157.06479	14.8
158.07249	2.1
158.99657	1.3
159.04434	2.2
159.06961	2.4
159.08069	23.3
159.09068	0.8
159.11729	2.1
160.08577	1.2
160.09735	1.1
162.96855	1.2
164.98515	1.6
168.05814	1.0
169.06483	29.3
170.06027	3.1
172.05148	2.1
172.08852	1.6
176.07002	1.1
177.00745	2.1
181.02843	0.9
182.03156	1.4
187.07553	100.0
187.10986	4.8
187.14818	2.9
188.07014	1.2
188.08064	1.8
189.08073	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0753
Annotation	(+/-)-trans-Acenaphthene-1,2-diol
Peak:m/z	Relative Intensity
55.01856	1.4
55.05502	1.8
56.05032	1.4
56.96553	2.1
57.03431	2.3
67.05500	3.3
69.03423	2.4
70.06580	3.5
70.06969	4.5
72.08165	1.6
72.93783	1.3
76.59165	1.0
79.05497	1.3
81.03402	3.7
81.07060	1.7
82.06606	1.7
83.08624	1.5
84.04495	3.4
84.08145	3.7
85.02903	5.5
85.04847	1.2
86.03249	4.6
88.02228	6.5
91.05479	14.3
92.11264	0.9
93.07006	1.1
95.04942	1.6
98.06030	1.1
99.04447	1.5
103.05456	1.7
105.03419	1.0
105.07028	3.4
107.04932	2.0
112.11265	1.4
114.05556	4.9
115.05476	12.5
116.06220	4.4
117.07024	6.4
118.06542	8.3
121.00806	1.4
126.05516	2.1
127.05894	4.8
128.06226	22.7
128.07088	1.6
129.07002	98.7
130.07350	2.8
131.04924	5.1
131.08557	26.6
131.09535	1.7
132.08038	1.5
133.06496	1.2
141.06989	61.0
141.10173	1.4
142.06496	1.3
142.07512	1.2
143.07242	1.5
143.08513	1.4
144.05704	10.3
144.08087	2.6
144.09210	1.5
145.06477	8.4
145.10185	4.9
146.06020	11.7
155.06075	2.3
157.06482	100.0
158.06885	4.0
159.06976	2.2
159.08061	30.2
159.11678	3.6
169.06477	22.2
169.07774	1.6
169.10074	1.8
169.73315	0.9
172.05243	1.3
172.08827	1.4
173.00848	2.0
187.07541	26.9
187.11119	8.5
187.14806	2.8
188.06949	2.1
188.09320	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0753
Annotation	(+/-)-trans-Acenaphthene-1,2-diol
Peak:m/z	Relative Intensity
50.85075	0.6
51.21680	0.7
55.01872	10.7
55.05509	1.6
56.05029	1.1
56.96570	2.9
58.06590	0.6
59.06142	0.9
63.02377	0.8
67.05511	1.9
69.03442	1.8
69.07063	1.0
69.28396	3.0
69.28821	4.4
70.06596	3.2
71.01362	0.8
72.08138	1.7
72.93800	0.9
79.05486	1.2
81.03423	2.1
81.07037	0.9
82.06566	1.7
83.08630	1.7
84.04499	2.6
84.08134	3.7
85.02912	3.8
86.03239	2.8
86.09686	0.9
87.04489	0.8
88.02248	3.8
90.86459	0.6
91.05474	19.3
95.04939	0.7
98.21490	1.4
98.97581	0.8
103.03303	0.9
103.05460	2.4
105.03402	0.8
107.04963	1.9
109.02298	1.5
112.11295	0.9
113.00015	1.0
113.02565	1.1
114.05558	3.8
115.05394	17.3
116.06251	6.5
116.98641	0.8
117.05759	1.1
117.07047	6.5
118.06540	29.1
119.08588	1.2
127.05789	2.4
128.06224	17.1
128.07086	0.9
129.07002	70.2
130.07358	1.9
131.04933	5.6
131.08565	39.2
132.08081	1.6
132.08960	1.6
133.06511	1.6
141.06981	45.4
141.53273	0.7
142.06529	3.1
143.07301	5.8
143.08339	1.2
144.05695	28.8
144.08080	10.5
145.06488	16.4
145.10109	2.3
146.06001	36.2
147.07909	1.0
147.62218	0.7
155.06044	2.9
157.06485	100.0
158.06979	3.5
159.04407	1.1
159.07072	1.8
159.08052	43.8
159.11632	2.8
160.03934	0.8
164.98450	1.3
168.05643	1.7
169.06451	36.7
169.07626	4.5
169.14142	1.3
170.05841	5.2
172.05148	0.9
172.08806	1.4
173.00821	2.0
187.03883	0.9
187.07556	28.0
187.11043	4.5
188.06989	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	187.0754
Annotation	(+/-)-trans-Acenaphthene-1,2-diol
Peak:m/z	Relative Intensity
55.01875	20.2
55.05521	0.9
55.71904	0.6
56.96569	1.2
58.29684	0.8
65.03950	0.7
67.05479	1.2
69.03432	0.7
69.48735	4.7
69.49151	1.1
81.03394	1.2
84.04512	1.1
84.08144	1.1
85.02914	2.5
86.03239	1.2
87.19418	0.7
88.02256	1.3
91.05479	17.0
99.15527	0.8
103.05515	1.7
105.07026	1.0
107.04991	0.9
113.00016	2.2
114.05508	2.2
115.05418	15.2
116.06261	7.3
117.07016	7.1
118.06542	2.1
119.08569	1.8
120.01831	0.7
127.05862	0.9
128.06224	4.1
128.07069	1.2
129.07021	11.9
131.04933	7.0
131.08571	56.1
132.08919	2.2
133.06491	1.5
141.06992	53.7
142.07365	2.5
143.08565	1.0
144.05707	54.2
144.09360	1.2
145.06502	21.0
145.10080	2.1
146.06018	2.3
146.06998	1.0
155.06004	1.7
157.06493	100.0
158.07315	7.0
159.08063	76.2
159.11655	2.5
160.08421	3.0
168.05748	1.2
169.06458	49.2
169.07677	9.2
170.06839	1.4
172.05212	1.5
187.07547	50.5
187.11142	7.1
187.14757	1.7
188.07858	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0753
Annotation	(+/-)-trans-Acenaphthene-1,2-diol
Peak:m/z	Relative Intensity
53.03929	1.1
54.03994	0.6
55.01868	1.7
55.05498	2.5
56.94292	0.7
56.94728	0.9
56.96573	5.6
60.04519	0.8
61.02929	0.9
65.03931	1.3
67.05491	2.9
69.03418	2.2
70.06583	3.3
71.04974	0.8
71.58900	1.2
72.93768	1.1
79.05483	1.5
80.14213	0.7
81.03419	3.6
81.07046	2.4
82.06590	1.2
83.04984	0.8
83.08617	1.3
84.04500	2.7
84.08138	1.7
85.02924	5.1
85.06545	1.2
85.08511	0.7
86.03233	3.7
87.04452	1.0
88.02220	5.2
88.07606	1.4
90.94820	1.0
91.05477	13.1
93.07028	1.5
95.04974	1.1
95.08599	1.2
97.02887	0.9
99.04458	1.1
103.05462	2.5
105.07011	2.9
107.04925	0.7
107.08522	0.8
107.42141	0.9
114.05560	4.1
115.05331	10.9
116.06216	2.9
117.07014	6.0
118.06533	3.2
119.08555	2.2
121.10194	1.1
122.89232	0.8
126.05521	1.7
127.05886	3.9
128.06233	17.7
128.07063	1.3
129.07008	97.1
130.07367	2.7
131.04926	4.1
131.08565	25.4
133.10109	1.2
141.06990	52.2
142.07408	1.0
144.05693	9.2
145.06488	8.8
145.10106	6.0
146.06000	3.4
155.06015	2.3
157.06490	100.0
158.06841	4.9
159.03349	0.9
159.07002	1.9
159.08066	26.8
159.11679	1.9
169.06468	19.7
169.07764	1.7
170.08098	1.0
175.08766	0.9
182.03328	0.7
187.07567	21.8
187.11188	5.0
187.12698	0.9
187.13225	0.8
187.14813	5.7
188.06940	0.9
188.09155	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44031	0.6
53.03935	0.8
55.01862	2.0
55.05500	2.3
56.05035	3.6
56.94289	0.5
56.96561	3.3
57.03439	2.6
57.99758	0.4
58.06599	5.5
60.04524	1.9
60.05660	0.6
60.08155	0.7
61.02917	1.3
61.60455	0.4
67.05503	1.2
67.92496	0.7
68.05022	2.2
69.03433	2.6
69.07066	1.3
69.30080	4.7
70.06590	15.6
71.04992	0.7
72.04527	1.3
72.08153	9.8
73.02922	1.9
74.02389	0.5
74.06073	0.9
79.05502	0.6
80.05016	2.1
81.03431	1.7
82.06587	3.2
82.94843	2.1
83.04942	0.5
83.06089	0.7
84.04503	12.8
84.08141	48.4
85.02903	33.9
85.07682	1.2
85.08462	0.9
86.03246	0.8
86.06062	1.8
86.09711	3.7
87.09255	0.8
90.94819	0.6
92.07868	0.7
94.06572	1.0
95.04939	0.7
96.04475	1.6
96.08141	1.8
97.02877	1.3
98.06041	3.2
98.09692	33.0
98.97602	0.8
99.04441	2.1
99.09264	0.7
99.10028	1.2
100.03997	0.6
100.07636	1.3
103.05473	0.6
107.04949	2.2
108.04444	1.4
109.02818	1.1
110.06056	0.7
110.07161	0.9
110.09706	0.7
111.09175	0.6
112.04007	0.5
112.07641	1.1
112.11240	100.0
113.04745	3.3
113.10858	0.8
113.11584	1.9
114.05526	49.4
114.09144	2.6
115.05903	0.8
115.12331	20.3
116.07072	0.9
116.98612	1.3
119.01910	4.5
120.02039	1.7
121.01665	5.2
122.06023	2.0
123.09206	0.7
123.97456	2.0
124.07594	1.4
126.05511	20.2
126.09133	0.7
126.93758	0.9
127.03928	1.8
127.05860	0.7
128.07088	1.5
129.10248	3.5
130.06528	2.1
130.08620	1.4
131.01923	0.9
133.01607	0.6
133.03403	0.5
134.99632	0.8
137.02983	1.9
138.05510	2.3
139.01756	0.9
139.02705	1.7
140.07037	1.6
140.10718	1.0
141.10219	4.5
142.03516	0.5
142.05055	0.9
142.08617	1.2
142.13443	0.5
144.03288	0.7
144.06523	1.8
144.07635	0.8
145.04890	1.3
150.05560	0.8
152.07092	1.3
155.11775	0.9
156.06494	0.8
158.05988	1.1
162.03127	1.4
162.95859	1.4
162.97017	0.7
163.02724	1.3
167.96477	1.1
168.06564	1.7
168.10165	0.7
169.13234	0.7
169.17017	1.0
181.02933	1.6
185.97476	1.5
186.06111	0.4
186.07597	14.0
186.11200	1.2
186.16026	1.6
186.19666	22.5
187.04530	0.9
187.10773	3.8
187.19904	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.7
54.03450	1.1
55.01850	4.2
55.05507	6.9
55.93513	3.0
56.05032	6.5
56.96560	22.1
57.03432	8.1
57.07070	5.7
58.06588	2.4
58.07381	0.9
59.04986	0.9
59.06107	2.5
60.04513	2.8
60.95839	1.1
61.02905	2.3
67.05491	4.0
67.26614	0.9
67.92487	2.5
68.05009	4.0
69.00948	1.0
69.03423	8.0
69.07047	3.9
70.04073	2.2
70.06586	98.5
70.95860	2.2
71.02444	3.1
71.04990	11.7
71.06897	1.1
71.58523	1.4
71.92989	1.3
72.04509	6.0
72.08156	12.4
72.93779	11.9
73.02896	3.3
74.06066	1.6
74.09727	1.1
74.97601	4.4
79.05478	5.3
80.05016	6.3
81.03413	6.1
81.07045	17.9
82.06580	5.6
82.94827	3.8
83.04968	1.5
83.06096	2.5
84.04494	17.8
84.08135	9.5
85.02897	70.6
85.06518	1.6
86.03255	1.3
86.06065	5.7
86.09704	2.5
87.04458	3.0
88.03993	1.5
88.09480	0.9
88.11214	0.9
88.96892	2.5
90.94827	7.3
94.06540	4.0
95.04950	4.9
95.06065	1.1
95.08589	1.2
96.04479	2.9
96.08093	3.3
97.00796	2.2
97.02872	3.0
97.06496	1.9
97.07669	1.7
98.03545	6.1
98.06036	10.3
98.07132	1.2
98.09669	3.4
98.97559	6.7
99.04392	5.1
99.05524	1.4
100.03961	2.1
100.07624	1.7
101.02348	1.3
101.10757	1.3
102.05534	2.0
103.05467	1.6
103.80659	1.0
105.06994	1.4
107.04921	7.7
108.04433	3.1
108.08066	1.2
108.95831	2.7
109.02853	2.6
109.07599	1.4
110.06012	2.8
110.09684	1.3
111.04409	1.3
112.03950	1.6
112.07593	5.5
112.11191	1.2
113.04728	6.2
113.05997	2.3
113.96388	2.6
114.05518	100.0
115.03905	1.2
115.05859	3.5
116.07058	1.5
116.98624	5.5
119.01866	3.9
121.00772	8.1
121.01655	8.1
122.06007	2.8
123.08133	1.2
123.97402	3.8
124.03875	1.4
124.07574	1.8
124.11198	2.1
125.06957	10.4
126.05505	55.5
126.09151	1.9
126.12781	51.1
126.93791	2.8
127.03944	5.5
127.05909	1.4
127.08659	1.3
128.07056	4.4
128.98586	1.9
129.10266	1.2
130.06508	2.1
131.04936	1.3
131.97440	2.8
132.95885	1.4
134.99664	7.0
136.06163	2.0
137.02943	1.8
138.05513	3.5
139.01790	17.3
139.02727	3.5
140.07040	9.6
140.08092	1.5
140.10703	2.9
141.04062	2.1
141.05356	1.1
141.06538	1.5
142.04890	2.0
142.08607	3.5
142.12263	27.1
143.96365	1.7
144.04062	1.5
144.06519	3.7
144.94794	2.1
144.95825	3.2
144.99431	2.9
145.05006	2.5
146.99594	2.1
150.05501	1.4
150.96896	3.2
150.99092	8.5
151.02122	4.3
151.08679	1.6
153.06415	2.8
156.03265	2.5
158.05991	1.5
158.08099	1.3
162.95827	3.2
162.96924	4.1
162.99120	2.2
163.00490	2.8
163.01817	10.7
163.96429	1.2
165.00787	1.6
167.96385	2.9
168.06526	4.7
168.13838	15.0
169.00192	6.0
169.09705	4.2
174.04359	6.3
177.00700	1.5
181.00304	1.5
181.02829	31.4
181.97484	1.1
185.97475	3.5
186.04303	2.4
186.07616	19.9
186.09113	1.3
186.10974	4.9
186.12358	3.3
186.14874	47.4
186.18468	3.8
187.11011	2.1
187.14316	2.2
189.00696	1.3
192.05357	1.9
204.05380	4.1
205.03888	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	186.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82008	0.5
53.03940	0.5
55.01876	1.4
55.05502	6.2
55.93536	1.0
56.05029	16.2
56.96558	4.4
57.03426	6.3
57.07071	1.4
58.06599	2.1
60.04516	0.6
61.02913	0.6
65.03942	0.5
67.05495	8.7
68.05022	6.5
69.03433	1.5
69.07057	21.4
70.02946	19.8
70.04068	14.2
70.06585	3.9
71.04984	1.9
71.06014	1.1
71.06342	0.5
71.08628	3.5
72.04507	25.7
72.08147	1.9
72.93797	2.1
73.02898	2.4
73.06544	8.7
73.06914	0.7
73.15141	0.5
74.97633	0.8
75.04492	0.6
79.05481	2.6
80.05024	2.2
81.03386	0.6
81.07045	10.3
82.06585	2.2
83.04982	1.5
83.08622	1.8
84.04494	11.6
84.08132	32.9
85.02891	10.6
85.03362	0.8
85.06548	1.0
86.06084	1.2
86.09692	8.2
87.04476	1.0
89.03925	0.6
90.94822	0.8
91.05474	4.5
93.07050	1.7
94.06569	1.5
95.08592	3.4
96.04484	0.7
96.08130	1.6
97.00829	0.5
97.02938	0.6
97.06528	1.7
98.06016	2.3
98.09669	0.7
98.97567	0.7
99.04446	1.0
103.05478	1.8
105.07027	2.2
107.08604	1.6
108.04488	0.7
109.02843	0.5
109.10168	1.7
110.06048	0.9
111.08025	0.9
111.92410	0.6
112.07597	3.1
112.11228	4.8
113.04734	1.0
113.96378	0.5
114.05521	14.1
116.98608	1.3
121.00778	2.5
121.01567	0.5
121.10168	0.7
122.06038	0.8
122.09657	10.8
123.08084	0.9
123.11713	1.7
126.05499	8.1
126.06585	1.6
127.03952	0.8
129.06949	0.6
130.06491	1.7
130.08586	0.9
130.12270	0.5
131.04871	2.7
133.10112	2.1
134.99651	1.0
138.05511	1.0
139.01814	5.1
140.07069	2.4
140.10684	100.0
141.11038	2.1
144.05614	1.1
144.06619	1.1
144.07605	3.2
145.02846	1.6
145.09926	0.6
150.12718	0.6
150.99191	0.7
151.11200	1.0
158.05974	2.3
159.08047	1.8
163.01830	4.0
168.06488	1.7
168.13821	33.2
169.00262	0.8
172.05026	0.5
174.68198	0.5
181.02850	10.9
186.03604	0.7
186.05499	1.9
186.07727	3.6
186.11218	33.0
186.14841	4.5
186.18527	0.6
187.07437	3.0
187.11313	1.2
197.43419	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1125
Annotation	4-(1-methyl-2-pyrrolidinyl)-3-oxobutanoate
Peak:m/z	Relative Intensity
53.03955	0.9
55.01874	1.2
55.05508	5.3
56.05032	13.0
56.50315	0.4
56.96566	4.7
57.03434	5.4
57.07076	1.3
58.06600	3.1
60.04539	0.5
60.95840	0.4
61.02941	0.4
67.05507	6.6
68.05024	6.2
69.03433	1.4
69.07064	21.4
70.02952	19.2
70.04073	15.4
70.06591	3.2
71.05000	0.9
71.08633	4.5
71.59477	0.8
72.04513	24.2
72.08151	1.8
72.93795	1.6
73.02921	1.4
73.06552	9.1
79.05501	2.7
80.05017	2.6
81.03412	1.3
81.07053	8.2
82.06557	2.6
83.04980	2.2
83.08616	1.3
84.04506	12.1
84.05016	0.6
84.08141	26.8
85.02899	10.8
85.06538	1.1
86.06084	0.7
86.09702	8.3
87.04460	1.6
91.05471	3.5
93.07052	1.5
94.06572	1.7
95.04945	0.5
95.08605	3.3
96.04502	0.4
96.08134	1.7
97.00827	0.8
97.02883	0.8
97.06525	1.6
98.06052	3.2
98.09694	1.0
98.97580	0.7
99.04436	0.4
100.03974	0.8
103.05470	1.8
105.07005	2.5
107.08585	1.2
108.04468	0.7
109.06477	0.7
109.10157	1.9
110.06017	0.6
111.08089	0.9
112.07621	3.3
112.11248	4.7
113.04755	0.5
114.05525	15.3
114.09227	0.5
115.05421	0.4
116.06234	0.5
116.98608	1.0
117.03358	0.5
121.00812	2.5
121.01552	0.5
121.10158	1.1
122.06069	0.6
122.09663	11.5
123.08066	0.5
123.11696	1.8
124.11171	0.9
126.05515	9.6
126.06598	1.2
127.03882	1.0
129.07001	1.2
130.06535	1.2
130.12288	0.6
131.04945	1.4
131.08586	0.7
133.10115	2.0
134.99670	1.1
138.05487	1.4
139.01808	6.4
140.07120	2.3
140.10692	100.0
140.14308	1.6
141.11041	1.6
144.05644	0.9
144.06621	0.8
144.07579	2.7
144.95761	0.4
144.99445	0.5
145.02864	0.9
150.12755	0.8
150.96832	0.5
150.99072	1.3
151.11118	1.3
154.11064	0.4
156.06538	0.4
157.06439	0.6
158.05998	2.2
158.08052	0.8
158.11757	0.7
159.08072	2.2
163.00581	1.0
163.01787	5.3
168.06552	1.6
168.10153	1.0
168.13831	25.9
169.05101	0.5
169.06984	0.4
172.05179	0.5
181.02864	11.0
186.03438	0.6
186.05579	1.2
186.07758	3.1
186.11234	32.8
186.14819	4.3
186.18529	0.8
187.06090	0.4
187.07532	2.7
187.11391	1.3
204.04437	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18240	0.8
53.03936	1.4
53.28776	0.9
55.01867	3.4
55.05525	2.3
55.21371	0.8
55.93519	1.7
56.05048	5.7
56.96555	2.8
57.03440	6.8
57.07073	1.0
58.06593	5.1
60.04513	2.7
61.02925	1.4
67.92505	1.0
68.05024	4.1
68.05362	0.8
69.03425	4.2
69.07066	1.2
70.02946	2.2
70.06595	14.8
71.04989	1.4
71.07355	0.9
71.23474	2.3
72.04526	4.5
72.08157	6.8
72.93782	2.4
73.02898	3.5
77.03537	1.0
78.25793	0.9
80.05007	2.9
81.03418	2.8
82.02935	1.3
82.06577	2.0
82.94849	1.8
83.06115	1.9
84.04042	1.8
84.04508	22.5
84.08145	51.8
85.02907	63.6
85.08466	1.0
86.03262	1.1
86.06071	2.8
86.09703	5.7
88.07642	1.2
88.97744	0.9
90.94814	1.8
94.06534	0.9
96.04488	3.4
96.08137	2.0
97.02872	1.6
98.06059	5.6
98.09702	31.2
98.10346	2.0
98.97597	2.1
99.04435	4.7
101.03485	2.0
108.04465	3.1
109.02847	2.3
110.06030	2.1
110.07204	1.5
112.03976	1.1
112.07613	2.1
112.11246	100.0
113.04734	5.6
114.05533	98.4
115.08624	1.2
115.12336	18.1
116.07069	1.3
116.98628	1.4
121.00817	1.9
121.01665	2.1
122.06056	2.1
123.97434	1.9
124.03968	1.4
126.05522	38.6
126.93775	1.2
127.03905	3.5
128.07054	1.1
129.10249	7.1
130.06525	4.2
131.04922	1.5
134.99634	1.0
138.05495	3.7
139.01767	4.7
140.07082	2.5
144.04048	14.4
144.06567	2.7
144.95802	1.9
145.04936	1.2
150.96860	1.3
156.06516	1.1
158.06029	1.9
162.96895	2.4
163.01822	4.9
168.06577	2.4
169.09843	1.4
173.00816	2.2
175.53134	1.0
181.02835	7.5
185.97412	1.0
186.05818	1.5
186.07622	31.9
186.11153	1.6
186.18164	1.2
186.19695	20.7
187.07841	1.8
187.10709	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0324
Annotation	Unknow
Peak:m/z	Relative Intensity
70.67358	100.0
70.67696	70.0
97.73811	45.5
114.05536	52.4
119.01904	74.4
146.52737	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0597
Annotation	Dibenzo-p-dioxin
Peak:m/z	Relative Intensity
54.49201	0.7
55.01880	2.6
55.05509	2.2
56.05024	0.9
56.96570	1.7
57.03430	1.0
57.07069	0.8
58.06575	0.9
65.71701	0.6
67.05508	3.0
69.03409	0.8
69.07074	1.4
70.06604	1.6
71.01397	0.8
71.05003	1.7
71.12147	1.6
72.04529	0.9
72.08160	1.5
73.02898	0.7
75.99733	0.6
79.05502	2.3
80.05025	0.8
80.57567	0.6
81.07081	1.7
84.04504	3.5
84.08157	2.4
85.02903	13.9
85.06530	0.8
87.10014	0.8
89.79464	0.6
91.05487	1.1
93.07044	1.8
94.94539	0.7
95.04985	1.1
95.08618	0.9
97.06509	1.6
98.97651	0.6
103.05467	5.3
105.07022	1.2
107.08567	1.1
108.04552	0.8
112.11240	0.9
113.04758	1.5
114.05529	20.2
115.05459	2.3
116.98626	0.9
117.07047	1.0
119.01919	1.6
120.97961	1.0
121.00806	0.8
121.10109	1.4
122.06036	1.1
126.04698	0.9
126.05527	8.6
127.05429	7.0
128.06226	100.0
129.07016	35.0
130.06502	0.9
131.04922	4.0
134.99617	1.5
138.98941	2.2
139.01849	2.0
139.05437	2.2
140.07051	1.2
141.06956	1.3
142.07747	2.0
143.08554	1.7
144.05679	2.1
145.06480	17.6
149.07115	1.0
155.04898	2.7
155.06044	11.4
156.05669	8.1
156.09360	0.9
156.99986	0.7
157.06496	25.2
157.10083	1.6
162.23250	0.6
163.01859	1.1
181.02826	3.2
184.05212	5.6
185.05974	97.4
185.09470	2.8
185.13258	2.6
185.15211	0.8
186.06271	2.0
186.07654	2.2
198.93188	0.7
203.07048	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	184.1332
Annotation	Acetylpseudotropine
Peak:m/z	Relative Intensity
55.01868	7.3
55.05501	0.7
55.93504	0.3
56.05003	0.4
56.96556	1.6
57.03422	1.1
58.19133	0.2
60.95834	0.4
67.05486	0.8
68.05022	0.3
69.03413	0.8
69.07076	1.6
69.07382	0.4
70.02941	0.9
70.03746	0.3
70.04073	2.7
70.06570	0.9
70.19704	0.2
71.04981	0.4
71.59884	0.5
72.04144	0.3
72.04513	4.7
72.93778	0.5
73.02876	0.4
74.06078	0.4
79.05476	0.7
81.03385	0.5
81.07037	0.9
83.04958	0.2
84.08132	0.4
86.06070	2.0
86.09681	0.6
87.04485	0.4
88.07629	2.6
91.05472	0.5
93.07036	0.6
94.06549	0.4
95.04935	0.3
95.07313	0.4
95.08570	0.8
96.05307	0.3
96.08102	0.9
97.06525	17.8
98.06017	0.9
98.06875	0.2
101.95035	1.2
102.96870	0.4
105.07006	0.3
108.08107	0.4
110.06029	0.3
110.09654	1.1
112.07569	0.3
113.96397	0.3
114.05524	10.4
115.07549	0.5
119.01878	0.9
119.96049	0.6
120.08080	0.4
120.97890	0.7
124.07536	0.4
124.99979	0.4
129.06990	0.4
137.02951	0.4
137.97101	1.0
138.09164	1.4
138.98901	1.1
140.10707	1.5
141.09062	0.7
142.12219	1.2
143.08592	0.3
152.05873	0.4
155.98125	0.8
160.98882	0.5
161.04112	0.4
161.06329	0.4
162.00586	0.3
166.08618	0.9
166.12256	1.1
181.71605	0.3
184.13316	100.0
185.13626	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	184.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73370	0.6
53.03942	0.9
55.01860	1.5
55.05502	4.4
56.05030	100.0
56.96558	4.4
57.03435	3.4
57.05378	0.8
59.06124	1.2
60.04539	0.6
60.49048	0.6
60.95853	0.6
65.03938	1.0
65.49842	0.7
67.05499	10.5
68.05025	12.6
69.03432	1.2
69.07063	4.2
69.07388	0.8
69.52390	5.4
70.02953	15.2
70.04078	1.3
70.06588	7.0
70.56888	0.6
71.04980	1.6
71.08617	1.2
72.04510	1.8
72.08154	1.4
72.93788	1.2
79.05486	16.8
80.05007	6.9
81.03394	2.1
81.07048	22.3
82.06567	7.5
83.04997	1.4
83.06089	1.1
84.04500	3.1
84.08132	3.6
85.02898	1.9
85.06564	1.0
86.06082	1.4
86.09705	4.5
87.04457	1.9
88.11288	0.8
90.94855	0.8
91.05457	5.0
93.07037	13.3
94.06597	1.4
95.04964	2.8
95.08595	14.9
96.04465	0.8
96.05320	1.0
96.08136	2.6
97.02887	0.7
97.06565	3.6
97.07652	1.1
98.06054	3.1
98.09689	1.9
98.97582	1.0
99.05559	0.7
99.08093	2.9
100.07626	4.1
101.00846	0.7
101.95045	0.8
102.96961	0.7
104.10749	0.8
105.06994	5.5
106.06583	1.4
107.04957	1.9
107.08588	8.0
108.08055	1.0
109.06507	1.3
109.10150	1.3
110.06004	2.1
110.09651	2.4
112.07613	1.9
113.96384	1.1
114.09158	1.4
116.98588	1.3
119.01923	6.9
119.08594	1.8
120.08112	1.7
120.97902	1.2
121.10130	10.9
122.09680	1.5
123.04436	1.2
123.05534	0.9
123.08080	3.7
124.07583	2.6
124.08478	1.0
124.11217	1.6
125.00006	1.6
125.07104	1.6
128.10699	2.4
131.08551	4.5
131.97450	1.5
134.99658	2.7
137.02907	3.2
137.09604	1.1
137.97101	1.7
138.05463	1.2
138.09123	4.7
138.12769	15.6
138.98956	1.4
139.13222	0.8
148.07478	0.8
148.11195	9.6
149.09604	7.5
155.98163	1.3
156.10172	1.0
156.13866	1.2
160.04628	0.9
161.02911	2.0
161.04097	0.9
166.04965	1.2
166.08549	1.1
166.12259	33.5
182.89828	0.7
184.07468	1.8
184.09669	2.3
184.13318	41.9
185.13759	1.1
197.01158	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	11.1
56.96560	31.4
57.07066	6.1
58.93483	3.9
60.08162	5.0
60.95837	13.8
67.05482	7.7
69.07049	12.0
70.04070	100.0
70.78583	9.9
70.78951	6.5
70.95857	8.2
71.08626	12.4
72.04502	11.7
81.03394	5.5
84.08121	6.8
87.04485	5.3
93.07034	9.2
98.06042	8.9
101.95033	59.6
102.96851	27.5
107.08504	4.5
119.01908	18.0
119.96057	46.3
119.98153	6.2
120.97897	40.4
124.07578	6.8
124.08639	5.1
125.00020	5.2
128.04558	5.9
128.06227	6.4
129.06978	18.2
131.08548	4.4
135.81509	4.4
137.02933	11.5
137.97090	66.1
137.99257	10.0
138.02921	4.9
138.09088	9.1
138.98932	73.0
139.99016	5.1
143.08493	9.8
143.99496	7.1
155.98149	48.5
157.00006	18.6
157.10075	6.6
158.00102	7.1
160.98669	13.1
161.04059	5.9
161.04758	3.6
162.00557	14.0
166.08652	7.9
179.05446	6.1
184.07446	7.8
184.09618	8.8
184.13411	8.6
184.16960	21.7
185.09364	4.4
185.13289	25.3
190.11472	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	184.0727
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
52.66205	0.6
56.05035	1.3
58.06574	0.9
60.07883	1.3
60.08169	20.8
63.35010	0.7
66.03696	0.8
71.07378	13.2
86.09709	100.0
87.10051	2.4
98.21541	2.8
98.97867	1.2
98.98472	20.3
101.21662	0.7
101.95020	0.9
104.10732	4.2
120.97937	1.0
125.00013	81.7
128.51274	0.7
143.01028	1.7
184.07349	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	184.0725
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
54.73446	0.5
56.05018	1.4
56.79232	0.4
57.17753	0.4
58.06598	0.5
58.49962	0.4
60.08162	19.4
62.88050	0.5
69.33850	4.8
71.07374	10.0
80.63359	0.4
86.09702	100.0
87.10035	1.4
97.02807	0.5
98.98466	16.5
104.10746	4.0
105.03377	0.7
113.67455	0.4
124.99997	77.8
134.32317	0.5
137.83511	0.4
143.01013	1.5
155.84546	0.5
160.83034	0.4
184.07335	82.4
185.00803	0.8
185.07613	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0967
Annotation	L-Normetanephrine
Peak:m/z	Relative Intensity
53.03923	5.8
55.01856	5.6
55.05504	3.1
56.05031	3.4
56.96567	12.3
57.03423	2.2
57.07055	1.5
57.22243	1.5
59.06116	2.5
60.04509	4.8
61.24075	1.5
65.03930	2.8
67.05502	11.8
68.05017	2.0
69.03414	2.7
69.04526	1.6
69.07053	4.0
70.06587	16.6
70.90671	3.2
71.04986	1.8
72.04501	2.2
72.08117	1.8
79.05492	22.9
80.05006	4.5
81.03402	4.4
81.07059	3.7
82.06571	6.9
82.17393	1.6
83.04951	2.7
83.06100	3.4
84.04488	5.2
84.08128	4.4
84.96010	1.7
85.02902	4.5
86.06060	5.9
86.09689	4.7
87.04447	2.2
91.05472	13.2
93.07053	13.0
94.06567	10.9
95.04964	44.6
95.08588	2.8
96.04440	2.1
96.05283	3.1
96.08107	5.5
96.44160	1.5
97.02882	4.5
97.06506	8.1
97.07623	5.3
98.06055	4.2
98.97571	4.0
100.07642	2.1
101.00890	3.6
103.05445	6.2
106.06556	2.8
107.04951	100.0
108.08118	6.6
109.02892	8.2
109.06504	3.3
109.07638	3.1
110.06039	8.1
110.09650	5.5
111.04413	8.7
112.07581	2.5
114.09072	1.6
116.98602	6.9
119.01915	53.7
119.04908	3.1
120.08095	37.5
121.06499	18.8
122.06033	3.9
123.04449	12.5
123.05267	2.5
124.07596	31.8
124.08595	2.7
125.05990	49.0
126.05482	6.1
126.06358	3.1
126.07484	1.5
128.40735	1.6
128.98512	1.9
131.04921	4.4
133.05211	2.8
134.99646	4.9
136.07574	30.5
136.08563	1.5
137.02954	29.1
137.05989	6.7
137.08313	3.1
138.05484	2.4
138.09148	16.7
139.03801	1.6
139.08624	1.7
140.07120	3.4
140.10689	18.4
142.03510	9.3
142.12216	2.2
146.99623	3.1
147.04382	1.6
148.07562	21.9
149.05981	13.9
156.10219	2.6
160.04587	6.6
161.02953	4.9
166.04938	3.4
166.08624	33.4
166.09906	3.3
167.03395	2.0
167.06995	8.6
167.08214	1.9
179.03963	5.3
179.05431	1.8
184.04575	2.9
184.06047	3.6
184.07477	3.0
184.09619	43.2
184.13274	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.138
Annotation	Nordavanone
Peak:m/z	Relative Intensity
51.27425	0.6
52.58867	0.6
53.00305	0.8
53.03949	4.6
55.01873	2.6
55.05513	25.2
55.61354	0.7
57.03446	3.3
57.07077	31.2
65.03940	1.2
67.05135	0.7
67.05502	17.0
68.99792	20.5
69.03403	1.6
69.07070	11.4
69.07412	1.0
70.77965	1.6
71.01356	100.0
71.04992	7.4
71.08643	4.2
72.01709	0.7
73.02924	1.5
79.05499	6.4
81.03410	7.8
81.07056	21.6
83.04984	4.4
83.08625	2.3
85.02911	1.9
85.06536	1.1
86.09691	1.5
91.05510	1.6
93.07050	5.1
95.04971	6.8
95.08610	13.7
95.61832	0.6
97.06525	4.7
97.10163	4.3
97.85926	0.6
98.98465	13.2
99.04453	16.3
101.95088	0.7
105.03400	9.0
105.07027	1.9
107.08575	1.0
109.06525	2.3
109.10165	1.1
111.04430	1.5
111.08054	1.0
113.06005	31.2
119.01907	0.8
119.08584	1.8
121.10143	1.5
123.04435	1.9
123.08062	1.4
125.05957	1.3
127.01579	1.5
127.07551	10.5
130.86787	0.6
137.05997	0.8
141.09077	1.5
142.03575	0.8
147.11790	0.7
160.04568	0.8
183.13806	72.0
184.07375	1.2
184.14133	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62337	0.2
60.00641	0.3
65.45780	0.2
70.79817	0.7
82.01441	0.3
82.05418	0.2
82.99839	0.7
83.06116	0.2
100.02444	0.3
101.00865	13.0
102.00961	0.6
115.02423	0.2
118.03485	0.7
119.01907	100.0
120.01996	3.8
121.02366	0.4
124.02404	1.1
134.46222	0.2
137.02939	44.7
138.03003	1.7
139.03409	0.3
142.03485	21.6
143.03612	2.0
144.03275	0.3
158.06577	0.6
160.04541	9.0
161.02924	6.6
161.04607	2.6
162.04202	0.4
165.05142	0.4
178.05589	0.2
179.03987	11.8
179.05614	1.1
184.04565	0.4
184.06197	0.4
191.03511	0.2
202.05542	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	1.2
58.06600	0.9
60.08162	17.7
70.18894	0.6
70.31586	2.0
71.07371	12.0
77.62603	0.6
79.11323	0.5
83.08620	0.6
84.00008	0.6
86.09704	100.0
87.10028	1.4
97.02873	0.8
98.98457	19.0
104.10734	4.4
116.99518	0.9
125.00002	76.1
143.01053	1.8
184.07339	75.2
185.00839	1.5
185.07642	1.4
185.13176	0.8
193.73360	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04590	1.6
53.03952	3.2
55.01868	15.5
56.96555	7.4
57.03428	23.9
57.54781	1.2
58.99863	3.6
61.02913	21.2
63.58355	1.4
68.02682	1.3
68.98289	2.0
69.03420	25.3
69.03779	1.0
69.36624	1.3
69.79713	8.1
69.80119	3.2
70.61943	1.3
70.99841	2.2
71.04975	3.6
73.02909	68.5
77.00895	4.5
81.03425	9.6
82.99833	2.2
85.02892	42.1
87.01894	1.3
87.04492	1.7
88.02682	5.6
93.01916	2.4
94.02671	4.7
95.03468	2.1
95.04977	3.1
96.02391	5.0
97.02873	33.6
98.97576	7.3
99.01910	1.8
99.04420	6.8
100.02603	3.2
101.00874	27.6
101.02408	2.2
102.00976	1.8
102.02396	15.2
102.52443	2.6
103.02484	1.9
103.03200	3.3
105.00355	1.7
105.01937	1.6
105.02879	1.6
106.02674	2.6
107.03464	2.2
108.02409	4.1
109.02922	5.3
111.02911	13.4
111.09245	1.5
113.00860	7.3
114.02401	3.0
115.02406	6.2
115.03171	4.2
116.98604	3.9
117.02928	3.4
118.03609	2.7
119.01907	100.0
120.02026	6.2
120.03447	4.1
120.05276	2.8
121.03185	3.0
121.19393	1.4
121.53208	1.7
122.09676	1.8
123.02908	8.2
123.04353	3.0
123.53001	1.7
124.03665	1.6
124.04784	1.8
124.10065	1.5
125.01769	1.9
126.02457	1.8
127.02415	2.9
127.03921	11.1
128.02295	3.0
128.98602	2.8
129.00308	1.4
129.02936	4.7
129.03920	3.5
129.53050	1.9
130.03673	2.3
131.01888	40.8
131.02811	2.7
132.01958	7.8
132.03456	4.0
133.01669	1.9
133.03426	9.9
134.03490	1.7
134.99702	2.0
135.02927	2.8
137.02936	25.0
137.07890	5.8
138.03403	8.6
138.05505	3.5
139.02390	1.9
141.54538	1.3
142.03471	12.6
143.01878	44.2
143.54228	1.9
144.01906	3.1
144.03453	4.4
145.03442	22.2
146.03632	4.5
146.99609	1.6
147.01392	3.5
147.05034	1.8
148.07530	1.5
149.02948	10.6
150.03142	2.5
151.04477	2.4
153.03973	2.7
155.01874	29.2
156.01991	2.0
157.03448	17.8
158.03580	2.1
159.05014	1.8
160.04582	9.3
161.02939	57.4
162.03117	6.9
163.02609	2.5
163.04515	5.2
166.08713	1.7
167.01910	6.9
168.02197	1.6
169.03439	2.7
173.02943	54.3
173.04471	3.2
174.03064	8.5
174.04454	1.8
175.02768	2.1
175.04439	3.6
177.02438	1.6
178.03926	2.3
178.05527	3.3
179.03992	4.8
183.14882	1.6
184.07402	1.6
185.02942	38.3
185.04568	2.5
186.03149	6.1
187.04446	2.6
191.04022	4.0
197.02988	4.7
199.04555	3.1
203.03998	17.2
204.04161	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	182.1538
Annotation	(+)-Myrioxazine B
Peak:m/z	Relative Intensity
50.86765	0.9
52.45899	0.8
53.03927	1.2
55.01855	1.6
55.05499	10.4
56.96556	1.1
57.03428	2.5
57.07055	2.8
58.02954	38.4
62.78732	0.8
66.71590	1.0
67.05499	25.2
67.39062	0.8
69.03417	1.5
69.07061	65.0
70.06578	3.5
70.07377	1.1
70.26299	0.9
71.20689	1.3
71.21038	1.7
72.08121	1.0
73.96981	1.0
74.06071	0.9
79.05486	7.7
81.03402	1.4
81.06577	1.5
81.07048	26.6
82.06568	1.2
83.04970	2.1
83.08598	8.5
84.04479	1.4
84.08128	10.4
86.06042	1.7
91.05457	5.3
93.07028	12.6
95.04949	3.6
95.08583	8.4
97.06527	5.5
98.06036	3.5
98.09676	2.3
98.97559	4.4
99.97901	1.6
100.07621	8.3
105.07013	16.1
107.08580	22.5
109.06527	2.3
109.10142	55.8
110.10409	1.3
112.07602	2.5
114.09149	14.5
116.98605	4.4
117.98920	2.1
121.10115	2.3
123.08062	1.3
123.11697	9.7
126.09135	15.0
126.09991	1.4
126.12758	3.3
133.10112	31.3
134.10425	1.2
134.99634	2.9
135.11673	20.7
135.99963	1.9
136.07523	1.1
136.12054	1.1
138.12756	24.2
140.10712	1.6
142.98888	1.4
147.11649	5.7
151.11168	10.2
152.07076	1.4
153.12758	16.2
154.08624	1.4
154.15871	1.6
164.14348	3.1
165.12762	1.6
173.72873	1.1
182.15384	100.0
183.02051	1.2
183.11681	1.6
183.15685	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	182.9457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25737	18.4
65.85233	20.8
70.26618	67.0
70.26991	40.1
73.02895	91.1
81.03433	23.3
85.02893	43.0
94.93017	47.8
97.02877	36.4
101.00838	20.4
119.01921	100.0
123.96989	19.0
131.01912	26.6
137.02985	21.4
143.01863	33.6
155.01923	24.5
160.84000	21.2
161.02921	72.9
173.02927	44.5
182.94583	73.6
185.02933	20.4
196.67636	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	182.0812
Annotation	Tyrosine
Peak:m/z	Relative Intensity
51.02368	0.3
53.03916	0.4
55.32278	0.3
56.96559	2.1
58.06581	0.3
60.08161	0.3
60.77446	0.3
65.03935	0.6
69.03419	0.4
69.92579	1.3
72.51501	0.3
73.02917	0.5
78.95265	0.5
84.96036	0.5
86.09698	0.9
90.17124	0.4
91.05473	35.6
92.05823	0.4
93.07024	0.6
95.04962	15.8
98.97544	1.5
103.05466	1.7
107.04948	5.1
109.06515	1.2
115.02434	0.3
116.98616	0.9
118.06539	1.6
119.04933	43.8
119.97903	0.5
120.05273	0.6
121.06506	1.9
123.04418	57.2
124.04792	0.7
128.98593	0.6
134.99632	0.5
135.03131	0.4
136.07565	100.0
137.06013	0.7
137.07909	1.8
147.04398	19.9
148.04735	0.4
158.96381	0.6
158.99773	0.4
165.05461	26.3
166.05917	0.5
177.00693	0.6
181.97961	0.4
182.08171	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	182.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
55.01863	0.7
55.05498	0.3
56.05030	0.9
56.28881	0.2
56.96561	4.0
57.03429	1.4
58.99849	0.4
61.02928	1.2
62.18486	0.2
63.92927	0.5
65.03933	0.6
67.05493	0.3
68.05019	0.3
68.55495	0.2
69.03421	1.7
70.06583	0.5
70.65140	0.5
70.99847	0.2
71.04973	0.4
73.02906	2.8
74.97625	0.2
76.27015	0.2
77.00891	0.6
78.95263	1.9
80.05011	0.5
81.03413	1.6
81.07067	0.4
81.93991	0.2
83.04942	0.3
84.04510	0.3
84.96030	0.5
85.02885	2.5
86.06071	0.8
87.04439	0.6
91.05472	38.4
92.05785	0.4
93.07026	0.7
94.06548	0.6
95.04961	16.2
96.01502	0.3
96.04468	0.9
96.08118	0.5
97.02879	1.7
98.06046	0.8
98.97565	2.1
99.02010	0.2
99.04453	0.6
99.97894	0.3
100.02476	2.2
101.00852	0.8
101.02578	0.4
102.02400	0.6
103.02417	0.3
103.05444	2.0
105.04550	0.3
107.04955	2.2
108.02348	0.4
108.08113	0.5
109.02841	0.3
109.06528	1.3
110.06023	0.2
110.97448	0.2
111.02917	0.6
112.07592	0.4
113.00848	0.8
115.02412	0.6
116.98624	2.4
117.98929	0.3
118.03512	1.8
118.06541	2.0
119.01908	3.8
119.04932	44.8
119.97877	2.1
120.03365	0.3
120.05252	0.7
121.06493	1.5
121.07317	0.3
122.06032	0.5
122.94186	1.2
123.04416	55.6
124.04764	0.8
124.07555	0.3
126.02479	0.2
127.03941	0.4
128.02306	0.3
128.34126	0.2
128.98616	0.7
131.01895	8.7
132.01987	0.3
132.03448	0.3
133.03410	1.4
133.91507	0.3
134.99664	1.5
135.99939	0.4
136.07564	100.0
137.02852	0.7
137.05959	0.7
137.07887	1.5
138.03387	0.4
140.95235	0.9
140.98576	0.3
142.03479	0.6
143.01903	1.6
144.99744	0.5
145.03432	1.7
146.99615	0.7
147.04388	18.1
147.74910	0.2
148.04726	0.5
149.02951	4.0
149.04729	0.4
151.04498	0.5
152.07056	1.1
153.00757	0.3
154.03479	5.3
154.08611	0.3
155.01857	1.3
156.05040	0.5
157.03516	0.6
158.96303	1.3
158.99594	1.2
159.01503	0.3
159.03105	0.4
159.05006	0.5
160.02727	0.2
160.04561	0.5
161.01674	0.2
161.02904	1.7
163.04521	0.3
163.96852	1.0
164.07024	0.7
164.10570	0.5
165.05461	26.6
165.07726	0.8
166.05806	0.6
167.02037	0.3
168.01419	0.3
172.04532	2.3
173.02956	2.0
174.33549	0.2
177.00696	1.5
177.02435	2.9
177.04086	0.3
181.97856	1.6
182.02925	0.5
182.04388	0.2
182.08098	3.9
182.10197	0.6
182.11693	0.5
185.02922	1.3
191.03958	0.3
195.01883	0.4
195.03395	1.1
200.04015	1.6
203.03976	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0811
Annotation	Tyrosine
Peak:m/z	Relative Intensity
51.02408	0.2
53.03939	0.4
56.96560	1.4
58.78842	0.3
65.03934	0.4
67.05499	0.4
68.05035	0.8
69.03418	1.5
70.06593	1.0
70.72643	0.7
70.73016	0.6
74.02435	1.0
76.74358	0.3
78.95274	0.5
79.05489	0.6
80.05019	0.7
81.03405	3.0
81.07065	0.7
82.06571	0.4
83.04958	0.4
83.06140	0.5
84.04480	0.5
85.02888	0.7
86.06064	0.9
91.05476	38.1
92.05807	1.0
93.07022	0.3
94.06563	0.8
95.04971	5.3
95.06088	0.5
96.04483	1.0
96.08135	0.4
97.02879	0.7
97.07705	0.4
98.06038	1.5
98.97587	1.2
103.05451	1.2
107.04949	0.9
108.05257	0.3
108.08115	1.1
109.06578	2.1
109.07629	0.3
110.06003	0.4
116.98609	1.2
118.03587	0.3
118.06519	2.7
119.04937	38.6
119.97915	0.4
120.05296	0.6
121.06517	0.5
122.06013	0.4
123.04420	13.6
124.07611	0.5
134.99678	0.5
135.04401	0.4
136.07568	100.0
137.05972	0.6
137.07912	2.2
140.08266	0.3
146.05969	0.3
147.04395	4.9
152.07079	3.3
154.08621	1.1
155.11786	0.3
158.96300	0.4
164.04179	0.8
164.07043	2.3
165.05466	7.1
170.01987	0.3
177.00700	0.5
179.08087	0.3
182.04507	0.3
182.08095	5.4
182.09511	0.5
182.11453	0.3
199.79044	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1221
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03937	2.5
55.01867	1.5
55.05509	39.4
56.96560	5.7
57.03434	1.4
57.07073	13.1
59.04989	0.7
65.03930	1.7
67.05502	11.2
69.03422	2.3
69.07067	5.6
69.40719	6.2
71.04983	1.5
79.05493	9.7
81.03408	0.9
81.07052	13.9
83.04979	18.6
83.08624	1.1
84.04497	0.8
85.06544	4.7
85.25985	0.8
91.05479	12.3
93.07040	26.7
95.04962	5.3
95.08604	18.6
97.06531	12.7
98.97577	20.0
99.81573	0.6
101.71757	0.6
105.07027	12.6
106.80862	0.7
107.04929	2.3
107.08591	37.5
109.06510	9.2
109.10172	3.3
111.04438	100.0
111.08076	7.1
112.04779	1.7
113.06004	5.7
115.05490	1.0
115.41151	0.8
116.98615	23.0
117.07030	4.2
119.08566	4.2
121.06502	5.0
121.10130	4.4
122.07295	2.0
123.08041	1.6
125.05991	40.2
127.07545	3.6
130.07777	3.8
134.99661	31.7
135.08054	23.8
135.11682	24.1
136.07509	0.8
137.09679	1.5
138.05539	0.7
138.06746	2.8
139.07529	2.6
140.00175	1.4
143.08578	0.9
145.10117	20.9
146.10437	0.9
153.00706	7.5
153.12752	5.2
158.01228	4.6
163.11171	13.8
181.04942	1.5
181.06346	0.8
181.12230	26.2
182.08116	1.1
182.12604	0.7
192.56479	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0811
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
51.02379	0.2
53.03940	1.9
55.05500	0.4
56.91663	0.2
56.96556	1.3
65.03945	0.4
67.05499	0.7
68.05023	0.6
69.03419	0.8
69.07056	0.3
70.02956	0.2
70.04080	0.5
70.06587	0.7
70.89604	0.5
72.08154	0.5
77.03913	0.4
79.05482	1.2
80.05025	0.6
81.03410	2.5
81.07048	0.8
82.06600	0.3
83.04976	0.5
84.04501	0.4
84.96066	0.2
85.00698	0.2
85.02892	0.5
86.06075	1.0
91.05473	4.7
93.05783	0.8
93.07038	3.4
94.06561	0.9
95.04967	3.3
96.04493	1.0
96.08121	0.3
97.02879	0.4
97.06523	0.2
97.13597	0.2
98.06039	1.8
98.97564	1.2
98.98449	0.2
99.97890	0.5
105.04488	0.3
108.04462	0.5
108.08121	2.9
109.06505	0.2
110.06047	0.2
110.09669	0.5
114.05486	0.2
114.08038	0.2
116.98611	1.7
117.98951	0.6
118.06504	0.2
119.04909	0.3
122.06016	1.1
122.06768	0.2
122.10462	0.3
123.04386	0.9
123.05551	0.5
124.07601	0.4
126.05502	2.0
126.06295	0.3
134.99654	1.4
135.99973	0.8
136.07565	100.0
137.07935	2.0
138.09158	0.2
140.04677	0.3
140.07037	3.5
140.08154	1.0
147.04407	0.3
152.07077	2.4
153.00673	0.2
154.08568	0.7
158.99586	0.3
164.07054	46.6
164.11542	0.7
165.07431	1.3
167.07028	0.3
176.37614	0.2
177.00706	0.4
182.08076	1.8
182.09320	0.2
182.15453	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1221
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
55.01855	0.6
55.05493	2.4
56.96565	1.2
57.07067	1.3
59.04993	3.2
60.80393	0.5
64.50553	0.6
67.05496	2.8
69.03426	1.6
69.07063	3.9
69.86306	2.3
69.86713	0.9
79.05488	6.2
81.07045	7.1
82.89336	0.5
83.04957	0.8
91.05481	3.0
93.06467	1.0
93.07036	19.8
93.48228	0.5
95.04931	0.8
95.08044	1.1
95.08599	14.2
97.06509	2.1
98.97578	13.4
105.07018	4.3
107.04950	1.1
107.08585	31.3
109.10133	2.5
111.04451	1.2
111.08107	0.7
116.98619	12.1
117.07029	0.8
119.08585	4.1
121.06504	4.0
121.09306	1.2
121.10136	16.9
121.11015	0.9
123.08033	3.8
125.05972	3.5
130.07784	0.8
133.10085	0.6
134.99640	7.5
135.11684	43.3
136.11993	1.6
137.13239	1.0
139.07527	9.1
145.10112	11.3
146.48344	0.7
153.00708	1.2
153.12798	1.6
158.01233	0.7
163.11171	30.2
164.11490	0.8
181.12218	100.0
182.12576	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	181.1221
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03924	2.3
55.01856	2.1
55.05515	4.1
56.96564	14.6
57.03417	1.0
57.07072	21.5
57.60628	0.7
59.04980	2.8
59.06113	1.0
65.03917	1.5
67.05502	3.8
68.05010	1.5
69.03432	1.8
69.07066	5.3
69.49353	5.5
69.49778	1.9
70.06583	1.2
71.04952	1.2
71.95257	1.8
79.05483	11.1
81.03414	8.5
81.04520	1.0
81.07043	5.4
83.04977	48.4
84.96007	1.1
85.02888	1.0
85.06516	1.5
91.05479	9.5
93.07034	15.3
94.06544	1.0
94.95085	0.8
95.04962	19.1
95.05969	1.4
95.08591	2.8
96.04471	1.9
97.06527	26.3
98.06055	2.1
98.97578	53.6
99.05560	1.1
102.56715	0.8
103.05427	2.8
105.07021	6.2
107.04940	4.3
107.07948	1.2
107.08590	12.2
108.08098	1.4
109.06487	1.7
109.07651	1.0
111.04420	1.5
116.98615	76.5
117.06979	2.9
117.98996	0.8
119.04988	1.0
119.08555	4.9
121.06505	8.8
121.10135	17.0
122.06032	1.5
122.07133	2.4
123.04446	1.1
123.05528	1.0
123.08024	1.9
125.05984	64.0
126.06298	0.9
130.07776	2.9
134.99652	82.4
135.04408	4.2
135.08083	1.7
135.11716	6.4
135.99934	0.9
136.07574	33.5
138.06726	1.1
140.00133	3.3
140.07039	1.1
140.08087	1.3
145.10117	10.6
146.97408	0.8
149.05931	2.8
152.07092	1.7
152.81361	0.8
153.00708	17.0
153.08994	1.0
154.08519	1.0
158.01230	7.0
163.03883	3.0
163.11174	100.0
164.07063	16.7
164.11504	2.3
176.02303	1.5
181.04884	1.5
181.08577	2.5
181.12209	27.9
182.08119	0.9
182.12624	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0494
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
52.94997	0.3
53.03948	0.4
55.01863	0.8
55.05506	0.6
56.05037	0.8
56.96558	3.4
57.03436	0.4
57.37176	0.3
58.06595	0.4
59.06115	0.4
63.02380	0.7
65.03925	1.0
66.66815	0.3
67.02971	0.3
67.05502	1.1
68.05021	1.3
69.03426	0.9
70.06584	1.3
70.75008	0.8
71.04994	0.4
71.95272	0.4
72.04504	0.4
72.93782	0.6
73.02935	0.3
74.02448	1.4
74.06076	0.4
75.83558	0.2
78.92913	0.3
79.05481	5.7
80.05016	0.4
81.03401	1.1
81.04530	0.7
81.07056	0.8
82.05302	0.4
82.79115	0.3
83.04980	0.8
83.06082	1.7
84.04499	0.9
84.08109	0.4
85.02921	0.3
86.06076	0.4
89.03908	21.6
90.04241	0.6
91.05475	6.1
91.06001	0.5
93.03358	0.3
93.07037	1.7
94.06570	0.5
95.04967	2.5
95.06087	0.9
95.08580	0.5
96.04493	0.7
97.02845	0.3
97.06551	0.4
97.07664	0.6
97.18000	0.3
98.06070	0.6
98.07176	0.4
98.97575	9.0
99.05570	0.4
103.03983	0.2
103.05476	0.5
105.07011	0.5
106.06550	0.6
106.66529	0.3
107.04945	10.6
107.06065	0.5
107.07394	0.4
107.08575	0.9
108.05729	1.8
108.08112	0.4
109.06506	0.7
109.07635	0.8
110.06046	0.5
110.07145	0.5
111.04430	2.1
111.08044	0.7
112.55735	1.9
112.88185	0.3
114.06651	0.4
116.98608	10.5
117.03368	22.2
117.06937	0.3
118.03741	0.3
118.06538	0.7
119.04940	5.3
119.97961	0.3
121.02851	0.8
121.06481	1.0
121.10155	0.8
122.06069	0.6
122.07155	1.2
123.04415	1.9
124.08739	0.6
125.05993	0.8
125.07110	0.5
126.55462	0.5
134.06027	0.4
134.99651	11.8
135.04402	44.3
135.08035	0.7
135.11662	0.5
136.04759	0.9
136.07570	11.6
136.08632	0.6
137.06075	0.5
137.07036	0.4
137.09654	0.3
137.54938	0.3
138.06615	0.4
139.03897	1.2
140.08200	0.8
141.08896	0.4
145.02831	24.1
145.10132	0.5
146.03185	0.8
146.07126	0.3
147.04364	0.7
149.05925	0.3
152.07063	0.6
153.00661	2.2
153.05429	0.5
153.09061	0.7
154.09703	0.4
158.01236	0.7
163.03889	100.0
164.04219	3.0
164.07024	0.7
164.08255	0.6
164.10707	0.4
165.05486	0.9
177.00710	0.5
178.30667	0.3
181.02634	0.3
181.04924	1.2
181.06270	0.4
181.08464	0.6
181.10855	1.8
181.12254	0.9
182.08147	1.3
186.05565	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
54.03455	2.4
55.01865	3.5
55.05503	5.2
55.93524	3.0
56.05031	4.7
56.96558	28.6
57.03434	5.0
57.07064	3.2
57.63551	1.9
57.93562	2.7
58.06584	3.6
59.06126	4.3
62.65871	1.6
65.03944	4.7
67.05505	5.6
68.05019	7.7
69.03408	6.6
69.07058	3.2
70.06588	8.1
70.62575	6.9
71.01363	2.6
72.04522	2.8
74.06074	2.6
74.93834	2.2
75.09224	2.4
78.95274	7.3
79.05490	18.6
80.04996	3.3
81.03422	13.3
81.04543	5.9
81.07046	8.2
82.05370	2.0
82.06569	5.1
83.04974	7.0
83.06109	9.0
83.08638	3.5
84.04501	4.3
84.08140	4.0
85.02891	3.7
86.06051	3.8
89.03925	16.1
91.05461	15.7
93.07047	11.2
94.06559	6.3
95.04964	13.2
95.05483	1.6
95.06076	8.8
95.08610	6.0
96.04507	8.0
97.02876	2.7
97.06486	4.6
97.07641	3.5
98.06026	9.2
98.07153	2.1
98.97572	54.2
99.05577	2.2
103.05441	2.1
107.04953	19.6
107.06108	3.0
107.08589	8.1
108.04503	2.8
108.08131	3.7
109.02890	2.1
109.06489	5.2
109.07674	5.6
110.07166	2.7
111.04446	9.3
111.08025	4.2
115.69975	1.9
116.98606	76.3
117.03389	14.1
117.04151	2.7
117.07069	3.3
119.04918	7.9
119.08549	2.7
119.97908	6.0
121.02889	2.6
121.06485	6.9
121.10095	9.1
122.06058	3.5
122.07170	9.2
122.94156	2.5
123.04417	8.8
123.05502	2.5
123.09164	2.5
123.95471	2.3
124.08701	3.0
125.05995	7.2
125.07018	1.9
126.07809	2.8
134.99648	100.0
135.03380	3.3
135.04413	51.3
135.05368	2.0
135.08023	11.4
135.11678	6.5
136.05008	2.1
136.06189	3.6
136.07576	14.4
136.08679	5.3
137.05978	7.4
137.06990	1.9
137.09654	2.1
138.05473	2.4
138.06625	3.8
139.03932	5.8
139.07562	3.2
139.09753	2.8
140.08151	4.9
140.95232	2.7
145.02835	23.3
145.10129	2.1
147.04398	3.5
149.05995	3.9
150.05486	7.7
152.07088	10.5
153.00667	23.8
153.05466	4.2
153.09146	4.8
154.07292	1.9
154.08577	4.1
154.09700	3.6
157.96100	4.6
158.01283	6.3
158.96283	7.3
163.03897	88.9
163.07483	2.8
163.11200	6.5
163.96886	6.0
164.04247	3.4
164.07039	5.6
164.08206	4.5
164.09369	2.5
165.05443	2.7
170.99562	2.7
175.97072	3.0
177.00697	4.4
181.02715	2.6
181.04895	8.1
181.06258	4.7
181.08662	4.2
181.10803	11.9
181.12254	7.4
181.97925	7.0
182.04558	3.2
182.08038	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	180.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
54.03448	0.2
55.01855	0.5
55.05501	0.2
56.05028	0.4
56.96575	1.1
57.03419	0.3
57.04562	0.1
58.06608	0.4
59.06117	0.4
61.47399	0.2
62.75248	0.2
65.03925	0.4
65.13248	0.1
67.02991	0.3
67.05498	0.5
68.05019	0.7
69.03419	0.5
69.07051	0.2
70.06581	0.8
70.66810	0.2
71.58011	0.2
71.58422	0.2
72.04507	0.4
72.08145	0.2
73.59873	0.1
77.03898	0.1
79.05486	1.7
80.05031	1.3
81.03407	0.4
81.04525	0.4
81.07063	0.4
82.05330	0.3
82.06568	0.6
83.04968	0.3
83.06111	0.5
84.04494	0.4
84.08128	0.5
85.02914	0.5
85.38271	0.1
86.09711	0.2
91.05474	1.8
93.04495	0.2
93.07046	2.6
94.06581	0.6
95.04948	0.8
95.06097	0.6
95.08603	0.2
96.04498	0.6
96.05649	0.2
96.06364	0.2
96.08129	0.3
97.02872	0.5
97.06461	0.2
97.07645	0.5
98.07178	0.7
98.97574	1.0
99.05608	0.3
100.02483	0.2
100.07579	0.2
103.05466	9.3
104.05849	0.2
105.04526	0.2
105.07011	0.2
106.06570	1.5
106.07285	0.3
107.04939	0.6
107.08607	0.4
108.04482	4.1
108.08104	0.2
108.24982	0.2
109.06534	0.4
109.07631	0.5
110.02692	0.2
110.06033	0.5
110.07188	0.2
111.04430	0.3
112.07613	0.2
113.56002	0.2
114.06648	0.3
116.98625	1.6
117.07013	0.2
118.06541	0.4
119.04929	0.3
120.08103	100.0
120.35083	0.2
121.02950	0.2
121.06509	5.8
121.08429	3.1
121.10156	0.3
122.06027	0.4
122.07082	0.4
123.04424	0.3
123.05470	0.2
123.06740	0.2
124.03956	0.6
124.07568	0.3
124.08715	0.4
125.06014	0.2
131.04907	1.0
132.04378	0.2
134.06009	1.7
134.06966	0.3
134.09605	0.2
134.10492	0.2
134.99666	3.1
135.04416	0.5
135.08078	0.8
136.07558	0.3
136.08679	0.3
137.05939	0.7
137.08168	0.2
138.05481	0.7
138.06593	0.4
139.03963	0.2
139.09784	0.5
140.08195	0.3
145.01437	0.2
152.07079	1.4
152.10736	0.5
153.00732	0.8
158.01221	0.3
162.05501	0.4
162.07840	0.2
162.09010	0.3
163.03943	0.3
163.07544	0.7
163.09741	0.3
164.08109	0.2
165.09126	0.6
173.41959	0.2
180.02962	0.6
180.06555	1.4
180.07942	0.4
180.10046	1.5
180.12453	0.8
181.04933	0.4
181.06464	0.3
181.08524	0.3
181.10806	0.5
181.12219	0.2
191.05942	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
53.04175	0.4
53.29673	0.4
55.01875	3.9
55.05511	10.4
56.96076	0.4
56.96564	2.5
57.03436	4.7
57.07079	1.5
59.04993	0.7
65.03934	1.2
67.05505	40.5
68.05834	0.4
69.03429	2.1
69.07068	10.2
69.26641	5.4
70.02566	0.4
71.04995	5.8
72.04521	0.6
76.02226	1.0
79.05495	34.9
80.05030	1.3
80.05819	0.6
81.03426	1.1
81.07057	100.0
82.06599	0.6
82.07378	2.1
83.00379	0.4
83.04977	6.8
83.08614	5.5
84.08152	0.6
85.06541	4.7
91.05482	25.8
92.74183	0.4
93.06580	0.5
93.07044	28.8
95.04977	7.6
95.08607	63.9
96.08944	1.2
97.06528	17.8
98.21508	1.0
99.08099	9.7
103.05462	1.0
105.04538	0.6
105.07033	23.0
106.06583	1.0
107.04945	0.6
107.08598	12.1
108.04485	2.6
108.08138	1.4
109.02830	0.4
109.06509	7.0
109.10158	4.7
111.08090	6.2
113.09638	0.9
114.77454	0.5
117.07023	2.1
118.06538	2.0
118.07847	0.5
119.04929	2.3
119.08579	33.9
120.04469	0.6
120.08120	4.9
120.08881	0.8
121.06495	0.9
121.10150	7.1
123.04420	1.0
123.08076	8.2
124.03931	0.6
124.07605	0.5
124.08437	0.6
131.08557	0.5
133.03474	1.0
133.06520	1.1
133.10130	20.2
134.06020	2.1
134.10498	0.6
135.05603	0.4
135.08006	0.5
135.11697	14.5
136.02156	0.5
136.07602	2.2
136.08723	0.5
137.06003	1.0
137.08260	0.7
137.09622	3.4
137.13234	1.0
138.06604	0.7
147.04422	1.9
147.82092	0.5
149.01299	0.6
151.11177	0.9
151.14836	0.6
152.07065	1.0
156.17200	0.5
159.11667	0.7
161.05974	1.8
161.09621	1.1
161.13260	40.6
162.05508	0.6
162.13611	1.9
164.04076	0.7
165.09106	0.6
179.03381	1.9
179.04846	0.9
179.06490	3.0
179.08244	1.0
179.10626	2.3
179.14310	52.5
180.02985	0.8
180.06580	1.0
180.14668	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.1
55.01860	3.7
55.05510	17.2
56.96569	7.1
57.03434	7.2
57.07087	4.6
59.04999	0.9
64.99252	0.9
65.03931	1.5
66.25269	1.0
66.92828	0.9
67.05503	46.8
68.05029	1.0
69.03410	3.8
69.07068	14.9
69.60548	4.5
69.60959	2.1
70.98124	1.3
71.04992	13.1
79.05492	39.8
80.05023	2.2
81.03398	2.7
81.07057	100.0
82.07352	1.5
82.14214	0.9
83.04985	9.4
83.08607	5.2
85.06560	5.6
91.05477	32.9
93.07043	41.5
94.06580	1.1
94.07381	1.0
95.04957	8.9
95.08605	92.4
96.08942	1.2
97.06533	17.3
99.08086	6.5
105.07027	31.4
106.06534	0.9
107.08591	14.8
108.04494	5.0
108.08104	2.1
109.06517	11.4
109.10184	6.5
111.08076	7.5
117.07029	3.4
118.06531	3.0
119.04951	1.6
119.08576	45.4
120.05546	1.2
120.12479	0.9
121.06481	1.8
121.10160	12.4
123.04435	2.5
123.08071	13.1
123.11687	2.0
128.06160	1.1
133.02788	1.1
133.06505	1.8
133.10129	24.7
134.06027	2.7
135.11703	14.9
136.07562	3.2
136.08815	1.3
137.05939	1.0
137.09607	7.4
137.13219	1.5
138.06674	1.2
143.08553	1.2
147.04422	2.3
151.03902	1.0
152.07097	1.9
159.11690	1.0
161.06033	1.8
161.13258	47.4
162.05460	1.5
162.13605	1.6
163.03915	6.6
164.04115	1.5
175.06876	1.0
178.07741	1.6
179.03384	2.6
179.06505	4.4
179.08400	2.0
179.10567	6.1
179.14311	56.1
180.07950	1.1
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	179.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
55.01870	4.0
55.05508	11.4
56.96563	6.2
57.03436	4.3
57.07067	2.3
59.04999	1.3
62.83360	0.6
64.53722	0.8
65.03935	1.9
67.05503	35.3
69.03432	2.5
69.07069	9.3
69.43240	4.1
69.43646	1.7
71.04994	6.0
79.05492	27.3
80.05031	1.6
80.05814	0.9
81.03407	1.8
81.07053	100.0
82.07385	1.6
83.04980	4.8
83.06104	0.7
83.08630	3.7
84.08138	0.8
85.06550	4.5
91.05479	24.6
93.07040	25.7
94.07363	1.2
95.04960	7.1
95.08602	64.2
96.08953	1.5
97.06526	13.8
99.08089	7.6
103.05476	1.2
104.63830	0.6
105.04502	0.8
105.07026	23.4
106.06594	1.3
107.08584	8.8
108.04466	2.8
108.08122	1.4
109.06511	6.4
109.10144	5.2
110.05996	0.7
111.08071	6.1
113.09643	1.0
113.28486	0.7
117.07018	1.3
118.06510	2.2
119.04934	3.3
119.08579	31.0
121.06537	0.8
121.10156	8.1
123.04433	2.4
123.08050	7.5
123.11713	1.3
131.08525	0.7
133.06516	1.5
133.10127	21.6
134.06000	1.9
135.08025	0.8
135.11682	13.1
136.07556	2.1
136.08562	0.6
137.06023	0.9
137.08167	1.1
137.09552	3.6
137.13316	0.9
138.06645	1.0
144.02556	1.1
147.04381	2.7
149.01216	0.8
151.07535	1.0
151.11194	1.5
152.07076	1.4
152.08218	0.9
161.05957	1.8
161.09633	1.5
161.13252	39.0
162.05472	0.9
162.13596	1.4
163.03905	2.6
164.04050	1.1
169.07654	0.6
173.03690	0.6
175.02910	0.7
179.03406	3.7
179.06438	4.1
179.09143	1.4
179.10573	4.0
179.14297	47.7
180.06589	1.0
180.14615	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03957	1.3
55.01866	2.6
55.05506	9.6
56.96551	3.1
57.03436	10.8
57.07058	2.0
59.04984	1.0
65.03934	2.7
66.92779	1.1
67.05505	41.7
69.03416	2.5
69.07068	10.4
70.26305	4.9
71.04974	4.0
79.05060	2.1
79.05490	29.9
81.07054	100.0
83.04979	5.8
83.08612	5.5
85.06549	9.1
91.05476	31.4
93.06463	2.3
93.07044	45.2
95.04981	5.7
95.08604	80.4
97.06526	19.8
99.08079	11.3
105.07028	37.8
107.08588	21.7
109.06513	7.1
109.10150	5.8
111.08074	6.3
113.09650	1.2
117.06995	3.3
119.04952	1.4
119.08577	59.7
120.08884	2.0
121.10155	15.8
123.08049	11.2
131.08556	2.1
133.10132	38.2
135.11691	35.9
137.09619	3.6
137.13222	3.1
147.04364	1.6
151.11191	1.6
161.13251	89.8
162.13559	4.0
179.03378	2.1
179.07074	1.3
179.14304	94.3
180.14702	2.1
183.97272	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03935	1.5
54.53257	0.7
55.01876	5.8
55.05510	10.3
56.96552	3.0
57.03434	8.1
57.07064	2.7
65.03931	1.8
67.05502	46.9
69.03426	3.2
69.07069	13.1
70.68271	2.3
71.04979	5.8
77.03915	1.1
79.05491	36.2
80.39177	0.9
81.03402	1.0
81.07054	100.0
82.07379	1.0
83.04985	10.2
83.08604	5.5
85.06544	9.3
91.05478	40.7
93.07040	48.7
95.04962	5.2
95.08604	78.7
96.08910	1.1
97.06528	28.6
99.08090	9.0
103.05452	0.9
105.07028	43.5
106.07356	1.8
107.08588	22.2
109.06511	7.4
109.10144	7.9
110.93325	0.9
111.08092	6.9
117.06974	3.6
119.04926	1.9
119.08575	65.9
120.30305	0.7
121.10144	18.1
122.10445	0.9
123.05531	0.9
123.08053	11.2
123.11693	1.0
131.08595	1.6
133.02853	0.9
133.10124	40.4
134.10472	1.4
135.11693	36.6
136.11992	1.0
137.09555	3.6
137.13245	2.1
147.04414	4.0
151.11188	2.3
151.14835	1.3
161.13248	99.9
162.13597	3.3
179.03401	1.8
179.06755	1.3
179.10886	2.0
179.14302	94.3
180.14635	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1429
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.83200	0.9
53.03935	3.8
55.01870	8.8
55.05509	9.5
55.96078	1.0
56.04998	1.4
56.89484	0.9
56.96550	4.4
57.03434	7.0
57.07070	3.2
65.03937	2.5
67.05507	48.0
67.68833	1.1
68.05025	1.6
69.03429	5.6
69.06716	1.6
69.07065	13.8
70.06566	1.3
70.77824	1.7
70.78188	2.8
71.04985	5.2
72.04504	1.9
76.02219	3.3
79.05491	37.8
80.05020	3.3
81.03419	3.6
81.04549	1.3
81.07056	100.0
82.07372	1.3
83.04981	8.6
83.08605	4.8
84.04533	1.1
84.08139	1.5
85.06547	8.0
91.05482	46.1
93.07042	40.0
94.07392	1.2
95.04978	11.3
95.06116	2.5
95.08609	72.1
96.08949	1.7
97.02925	1.8
97.06537	23.6
97.07592	1.2
99.08092	8.1
103.05512	1.3
103.55543	1.2
105.07037	43.3
106.06567	1.9
107.04976	1.7
107.08593	19.7
108.04491	6.0
108.08115	3.5
109.02856	1.4
109.06519	10.0
109.10148	8.9
110.07130	1.3
111.05537	1.2
111.08081	8.0
113.09622	1.2
115.05404	1.6
117.07012	3.8
118.06539	3.7
119.04961	6.7
119.08583	58.2
120.05563	2.4
120.08086	1.8
120.08881	1.3
121.06491	2.1
121.10153	15.2
123.04427	4.6
123.08064	12.0
123.11676	1.5
131.08572	1.6
133.06473	4.5
133.10135	35.7
134.06013	3.9
134.07048	2.1
135.09125	1.4
135.11699	27.7
136.07530	3.8
136.08661	1.6
136.12070	1.4
137.06000	4.0
137.08231	2.5
137.09615	6.9
137.13237	2.3
138.06607	2.3
143.08549	1.4
147.04410	6.5
147.73468	1.2
151.11176	3.9
152.07115	2.0
161.05978	4.8
161.08281	1.4
161.09625	3.6
161.13263	78.6
162.05412	2.4
164.03891	1.2
179.03259	6.0
179.04854	2.1
179.06619	6.2
179.09290	1.9
179.10585	10.3
179.14316	75.9
180.02908	2.4
180.06567	3.0
180.08037	1.3
180.14650	2.7
193.03920	1.4
197.24721	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1429
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03937	2.1
55.01870	4.0
55.05508	11.4
56.96563	6.2
57.03436	4.3
57.07067	2.3
59.04999	1.3
62.83360	0.6
64.53722	0.8
65.03935	1.9
67.05503	35.3
69.03432	2.5
69.07069	9.3
69.43240	4.1
69.43646	1.7
71.04994	6.0
79.05492	27.3
80.05031	1.6
80.05814	0.9
81.03407	1.8
81.07053	100.0
82.07385	1.6
83.04980	4.8
83.06104	0.7
83.08630	3.7
84.08138	0.8
85.06550	4.5
91.05479	24.6
93.07040	25.7
94.07363	1.2
95.04960	7.1
95.08602	64.2
96.08953	1.5
97.06526	13.8
99.08089	7.6
103.05476	1.2
104.63830	0.6
105.04502	0.8
105.07026	23.4
106.06594	1.3
107.08584	8.8
108.04466	2.8
108.08122	1.4
109.06511	6.4
109.10144	5.2
110.05996	0.7
111.08071	6.1
113.09643	1.0
113.28486	0.7
117.07018	1.3
118.06510	2.2
119.04934	3.3
119.08579	31.0
121.06537	0.8
121.10156	8.1
123.04433	2.4
123.08050	7.5
123.11713	1.3
131.08525	0.7
133.06516	1.5
133.10127	21.6
134.06000	1.9
135.08025	0.8
135.11682	13.1
136.07556	2.1
136.08562	0.6
137.06023	0.9
137.08167	1.1
137.09552	3.6
137.13316	0.9
138.06645	1.0
144.02556	1.1
147.04381	2.7
149.01216	0.8
151.07535	1.0
151.11194	1.5
152.07076	1.4
152.08218	0.9
161.05957	1.8
161.09633	1.5
161.13252	39.0
162.05472	0.9
162.13596	1.4
163.03905	2.6
164.04050	1.1
169.07654	0.6
173.03690	0.6
175.02910	0.7
179.03406	3.7
179.06438	4.1
179.09143	1.4
179.10573	4.0
179.14297	47.7
180.06589	1.0
180.14615	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
52.58102	1.6
53.03938	6.4
55.01858	7.6
55.05514	27.7
57.03432	4.1
61.09326	2.3
65.03942	3.8
67.05504	100.0
67.47276	1.8
68.05827	1.8
69.03436	2.1
69.07072	19.6
70.84640	5.0
71.04979	1.8
79.05492	63.9
81.03412	19.9
81.07058	90.5
82.56161	1.7
83.04977	33.5
83.08617	14.3
91.05479	59.6
93.07043	42.9
95.04974	15.3
95.08604	78.1
97.06530	31.6
97.09495	1.7
97.10153	4.2
99.08134	1.9
105.07025	25.6
107.08588	11.7
108.04470	3.1
108.08105	2.8
109.06524	7.7
109.10162	12.6
111.08057	7.3
113.09626	7.7
117.06997	2.3
118.06551	2.6
119.08586	31.3
121.10114	4.6
123.04435	1.9
123.08051	4.2
131.08583	2.5
133.10127	21.4
135.11682	6.9
136.07587	3.3
140.90892	1.8
151.11209	1.9
161.13258	12.5
179.04631	2.0
179.06476	4.9
179.10594	4.2
179.14319	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.02351	4.0
53.03938	8.4
55.01860	11.9
55.05264	3.0
55.05508	29.8
57.03428	4.7
57.07069	3.2
61.70892	2.5
61.83215	3.0
65.03918	3.6
67.05504	100.0
69.07084	20.5
69.32252	2.5
70.39227	2.3
71.04999	3.7
79.05492	69.4
79.26791	2.9
80.04984	4.1
81.03421	27.7
81.07056	97.9
82.07408	4.2
83.04981	39.1
83.08614	16.6
85.06518	3.0
86.51326	2.5
91.04897	3.9
91.05478	55.9
93.07042	49.0
95.04974	16.8
95.05495	3.0
95.08604	77.3
97.06532	34.6
97.10152	4.5
105.07030	35.5
106.06521	4.1
107.08585	9.6
108.04494	7.4
108.08171	3.8
109.06516	9.9
109.10157	11.9
111.08083	10.2
113.09647	5.1
119.04971	3.4
119.08585	36.7
121.10136	6.1
133.06516	3.1
133.10124	23.2
135.11668	6.7
136.07582	6.7
137.09653	3.3
148.77315	2.7
152.07033	3.8
161.05954	3.3
161.13278	16.8
179.03328	5.8
179.06464	7.8
179.08173	3.8
179.10689	7.8
179.14307	48.0
180.06538	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	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.31718	0.5
51.44007	0.5
53.03946	4.4
55.01874	7.6
55.05512	30.5
56.96573	1.1
57.03441	3.2
57.07077	1.6
59.05007	1.0
65.03944	3.4
67.05505	100.0
68.04967	0.6
68.05843	1.5
69.03439	1.5
69.07069	14.7
71.04997	1.9
74.67491	0.5
77.03925	1.3
79.05494	65.6
80.05827	1.3
81.03420	24.8
81.07057	87.5
82.07397	1.1
83.04568	0.5
83.04982	31.4
83.08618	12.9
85.06541	3.1
91.05483	49.9
92.05804	0.6
93.07043	40.1
94.07401	0.7
95.04964	12.5
95.08608	65.1
96.08956	1.8
96.26147	0.5
97.06532	31.3
97.10162	3.1
99.08076	2.4
103.05511	0.6
105.04512	0.9
105.07034	26.0
107.08601	10.5
109.06526	6.2
109.10159	11.7
111.08086	7.5
113.09655	7.3
117.07044	2.2
119.04971	1.0
119.08583	27.7
121.10146	5.4
123.08069	4.5
123.11748	1.1
131.08597	1.4
133.06538	0.8
133.10129	14.7
133.11086	1.0
134.10478	0.9
135.11690	6.0
137.06038	0.6
137.09651	2.0
147.04388	1.2
159.11659	0.7
161.05998	1.0
161.13254	12.5
179.03412	1.6
179.06613	0.8
179.09091	0.6
179.10710	1.3
179.14316	35.1
180.14713	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1429
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03930	3.1
55.01850	5.3
55.05268	1.7
55.05507	24.5
55.05771	1.3
56.96546	5.2
57.03429	15.7
57.07049	5.7
59.04977	1.5
65.03917	2.5
67.05498	60.7
69.03405	6.5
69.07059	45.7
70.84454	3.8
71.04998	9.2
79.05063	2.4
79.05487	34.4
81.03394	6.5
81.07050	65.2
83.04982	10.8
83.08606	3.4
85.06514	2.4
91.05471	22.2
93.07033	32.8
95.04964	22.6
95.08597	100.0
97.06515	3.2
105.06369	2.6
105.07021	27.6
107.05035	1.6
107.08585	32.5
108.04459	2.8
108.39228	1.4
109.06502	18.8
109.10143	39.5
110.10472	2.1
111.08055	5.9
117.06998	3.2
119.04921	3.8
119.08571	27.1
121.06462	3.7
121.10128	10.9
123.04414	2.6
123.08061	40.4
123.11678	3.6
133.06491	1.7
133.10126	16.0
135.07973	1.9
135.10753	1.5
135.11678	9.2
137.09607	25.5
137.13245	2.8
139.41214	1.6
147.04356	3.3
151.14771	5.2
161.13240	20.0
179.03360	5.3
179.06387	1.9
179.08539	1.4
179.10735	4.7
179.14291	58.1
185.04694	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0486
Annotation	Cys-Gly
Peak:m/z	Relative Intensity
53.03951	0.4
55.01866	1.5
55.05500	0.4
56.05032	0.8
56.96572	2.1
57.07080	0.4
57.12662	0.3
57.98792	1.2
58.99587	36.3
59.05014	0.4
59.06124	0.4
67.05500	1.5
68.05024	1.5
69.03454	0.3
69.04554	0.7
70.06589	1.1
70.49275	0.9
72.04548	0.3
73.01143	0.8
74.45096	0.3
76.02230	100.0
76.03992	3.8
77.02565	0.7
79.05482	1.8
80.05028	1.0
81.04546	0.9
81.07056	2.0
83.06100	1.1
84.08135	0.8
86.99054	6.9
87.05596	0.3
88.02224	2.7
91.05489	3.7
93.04541	0.6
93.07053	1.2
94.06580	0.6
94.63541	0.3
95.04983	1.7
95.06101	2.6
95.08626	1.2
96.04539	0.6
96.05621	0.5
97.04060	0.4
105.07032	2.9
106.06583	1.0
107.04948	1.1
107.06049	0.4
107.08595	0.7
108.04518	1.6
108.08133	1.1
109.02913	0.6
109.06541	1.3
109.07657	0.7
109.10156	0.5
110.07136	0.8
116.01681	25.8
118.04182	0.6
118.06571	1.3
119.04950	3.5
119.08596	1.7
120.05579	0.9
120.08105	0.5
121.06503	0.9
121.07634	0.4
122.07214	0.6
123.04464	1.2
123.08121	0.5
133.02846	0.4
133.06503	1.1
133.10101	2.0
134.03683	0.4
134.06046	1.6
134.07135	0.8
135.04486	0.6
135.05649	0.5
136.02182	0.4
136.07576	1.9
136.08665	0.7
137.05997	1.4
137.08243	3.3
137.09630	0.9
138.05656	0.3
138.06673	0.8
139.07416	0.6
143.08640	0.3
144.01144	7.3
144.02180	0.5
146.03632	0.4
147.04430	4.1
149.01329	0.4
149.59782	0.3
151.03954	0.7
151.07578	0.6
151.11229	0.5
152.07054	0.5
152.08205	0.7
161.05986	1.4
161.08133	1.0
161.09631	1.0
161.13274	0.5
162.02206	7.6
162.03442	0.6
162.05476	0.8
162.06673	0.6
162.10371	0.5
162.12827	0.8
163.07582	0.4
166.18973	0.3
179.03383	2.2
179.04802	0.6
179.06641	1.5
179.09262	1.5
179.10721	2.6
179.13029	0.6
179.14301	0.5
180.06587	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82808	0.5
53.03956	0.9
54.03465	1.0
55.01874	7.6
55.05517	0.6
56.05034	3.0
56.96564	3.6
57.07071	1.0
57.98792	0.8
58.99586	31.0
59.05013	0.6
59.06126	0.7
60.04539	0.7
65.03945	1.8
65.94979	0.5
67.02982	0.9
67.05505	2.9
68.05030	8.1
68.99794	0.6
69.03449	1.1
69.04549	1.8
69.07063	1.0
69.80946	2.5
69.81361	0.9
70.06584	2.0
71.05000	0.7
72.04518	0.8
72.08170	1.1
76.02229	100.0
76.03980	4.0
77.02570	0.7
79.02982	0.6
79.05499	4.2
80.05021	2.7
81.03419	1.6
81.04546	2.9
81.07049	4.4
82.06586	1.2
83.05005	1.7
83.06110	5.1
84.04500	1.2
84.08154	2.9
85.02905	1.0
86.99054	6.6
88.02219	2.6
91.05484	26.3
93.04533	1.6
93.07060	2.3
94.04179	0.6
94.06571	1.1
95.01335	0.7
95.04986	5.8
95.06092	14.3
95.08592	2.8
96.04479	1.3
96.05628	2.0
96.06907	0.5
97.02925	1.2
97.04023	1.2
97.06427	1.6
97.07652	2.4
98.07230	0.8
98.20700	0.7
100.23294	0.6
103.05470	1.9
105.03392	1.5
105.04528	0.6
105.07031	10.9
106.06561	1.8
107.04964	2.9
107.06087	1.2
107.08604	2.1
108.04478	4.5
108.05640	1.7
108.08127	2.2
109.02909	2.7
109.06538	2.9
109.07642	1.7
109.10178	1.7
110.07178	4.2
111.04582	0.5
111.05556	1.4
115.05448	1.5
116.01677	24.6
116.02499	1.3
117.07040	0.6
118.04167	2.6
118.06548	2.6
119.04942	44.9
119.08581	3.5
120.05621	3.7
120.08111	0.6
121.04005	1.0
121.06491	3.0
121.07627	0.7
122.03658	0.9
122.07180	2.6
123.04449	3.0
123.05563	1.7
123.08061	1.2
123.09238	0.8
123.11668	0.7
124.05218	5.8
124.08740	1.3
133.02908	1.0
133.06491	7.6
133.10133	5.6
134.06020	4.3
134.07130	4.0
135.05571	1.4
135.08095	0.6
136.02182	0.8
136.05173	2.2
136.06485	0.6
136.07578	2.9
136.08775	1.6
137.05992	11.5
137.08224	21.7
137.09598	2.3
138.06647	2.0
138.08580	0.7
138.10321	0.8
139.07422	1.3
144.01138	7.6
144.05580	0.6
146.03624	2.9
147.04411	31.9
148.04814	0.9
151.03918	1.4
151.06451	0.6
151.07565	2.5
151.11232	1.9
152.07047	1.3
152.08238	5.4
155.99678	0.7
161.05978	9.6
161.08228	2.1
161.09644	2.7
161.13379	0.9
162.02193	8.5
162.05409	1.3
162.06622	2.2
162.10393	0.8
163.07556	0.9
164.04756	0.6
174.00803	2.1
179.03328	4.6
179.04720	1.2
179.07127	9.9
179.09261	8.4
179.10709	7.9
179.12984	1.6
179.14345	2.1
180.02888	1.1
180.06570	1.6
180.08958	1.0
180.12381	0.7
191.05962	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0485
Annotation	Cys-Gly
Peak:m/z	Relative Intensity
52.59310	0.2
53.03951	0.4
54.03467	0.3
55.01878	1.0
55.05521	0.3
55.82892	0.2
56.05029	0.9
56.05289	0.2
56.49453	0.2
56.96572	1.0
57.07082	0.4
57.98807	1.0
58.99586	33.1
59.06127	0.4
59.99910	0.3
60.04543	0.3
67.02981	0.2
67.05509	1.0
67.89362	0.2
68.05029	1.8
68.99807	0.3
69.03422	0.5
69.04537	0.7
70.02962	0.2
70.06593	0.5
70.93140	0.6
72.04522	0.3
72.08163	0.3
73.01141	0.8
73.88982	0.2
76.02228	100.0
76.03989	4.0
77.02551	0.5
79.05495	1.5
80.05025	1.4
81.03419	0.7
81.04545	0.9
81.07066	1.1
82.06584	0.6
83.04994	0.2
83.06109	1.1
84.04504	0.5
84.08129	0.7
85.02923	0.4
86.99055	6.5
88.02217	2.6
91.05476	1.6
92.05014	0.3
93.04527	0.4
93.07066	1.1
94.06568	0.3
95.05009	1.5
95.06095	2.9
95.08598	1.0
96.04494	0.7
96.05589	0.3
97.02870	0.3
97.04029	0.4
97.07664	0.3
105.03432	0.2
105.07027	2.1
106.06562	1.2
107.04942	0.7
107.06076	0.7
107.08568	0.5
108.04469	1.7
108.05621	0.4
108.08107	0.9
109.06516	0.6
109.07674	0.3
109.10140	0.5
110.03536	1.4
110.07152	0.7
110.58428	0.2
111.05559	0.5
111.09412	0.2
115.05450	0.3
116.01678	23.5
117.02048	0.3
118.06538	1.1
119.04951	0.8
119.08574	0.8
120.05583	1.0
121.06458	0.6
122.06041	0.5
122.07156	0.7
123.04442	1.1
123.05547	0.6
123.08033	0.5
124.03938	0.3
124.08672	0.2
133.02803	0.3
133.06468	0.8
133.07565	0.4
133.10097	1.6
134.06001	1.3
134.07126	1.1
134.09587	0.3
135.04448	0.3
135.05450	0.3
136.02176	0.4
136.03925	0.6
136.04993	0.3
136.07559	1.5
136.08563	0.3
137.06001	1.0
137.08208	5.2
137.09637	0.5
138.05556	0.3
138.06590	0.5
139.07463	0.3
141.21817	0.2
144.01146	7.2
147.04414	1.3
150.05489	0.3
151.03882	0.8
151.05899	0.2
151.07536	0.5
151.08655	0.4
151.09895	0.3
151.11180	0.6
152.07043	0.9
152.08197	0.8
153.04070	0.5
155.99625	0.3
161.05936	1.0
161.08218	0.5
161.09604	0.8
161.13222	0.5
162.02205	7.2
162.05482	0.6
162.06581	0.6
162.07739	0.2
163.07524	0.7
174.00725	0.9
175.02638	0.2
179.03362	2.1
179.04863	0.6
179.06732	1.3
179.09235	1.9
179.10664	2.0
179.14268	0.6
180.02901	0.3
180.06473	0.7
180.08824	5.5
196.98837	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.8
56.05014	0.8
56.96557	2.9
57.07065	1.5
58.99591	1.0
58.99868	2.6
61.02904	1.0
64.07688	0.8
64.95999	0.8
67.86977	0.8
68.05010	2.4
69.03422	1.3
70.82185	2.3
77.00913	2.7
79.05506	1.5
81.07056	1.2
82.01439	6.3
83.06113	1.0
84.08143	2.6
91.05476	1.6
95.06078	4.5
98.01410	1.9
100.02486	61.0
101.00881	3.2
108.04510	0.9
109.07494	0.7
109.52232	0.9
110.01412	2.1
115.02454	1.7
118.03522	42.1
119.01925	47.4
119.51979	2.4
120.01912	4.8
120.95405	0.9
121.01688	1.4
121.03512	0.9
121.52198	1.1
123.04111	1.0
126.31316	0.8
130.52724	1.9
131.01884	5.7
132.00874	10.0
132.01878	1.3
132.50923	3.8
133.00764	2.9
133.01680	3.2
133.03458	8.0
133.10124	1.8
134.03003	3.1
134.07054	1.3
134.99893	3.5
135.99971	1.0
136.04539	1.6
137.02966	18.7
137.08218	6.7
137.99690	0.9
138.03012	1.6
138.96417	4.7
139.01651	1.0
139.02615	1.0
140.01537	1.6
141.05089	1.1
142.03517	2.1
143.51714	1.3
144.00824	1.1
146.00603	1.2
149.06679	1.2
149.99698	1.0
151.02609	1.3
151.04597	4.6
152.03970	1.0
152.08211	1.3
153.01117	3.8
153.51506	1.5
154.01251	1.3
154.94197	1.4
155.01015	1.8
155.51216	0.9
156.01991	1.3
156.03171	1.4
156.05060	4.3
156.97485	67.4
157.03458	1.9
157.04509	1.6
161.02939	5.5
161.98050	2.5
162.01941	4.9
162.52020	3.0
162.99364	4.4
163.01770	0.9
164.99117	1.1
172.95313	1.5
173.02985	1.5
174.03035	3.1
174.04439	1.3
174.06195	1.8
174.98561	100.0
175.04599	3.0
176.01756	0.9
176.51872	0.9
177.01057	1.7
178.01102	1.0
179.00693	2.0
179.04024	7.5
179.06697	1.8
179.09280	1.3
179.10620	1.6
179.99159	57.4
180.05038	1.0
181.78816	0.9
185.02271	1.4
188.14050	0.9
189.01060	4.8
190.01138	1.3
190.96315	1.3
191.02475	1.3
197.03044	1.1
198.00380	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0708
Annotation	(2Z,4S,5R)-2-Amino-4,5,6-trihydroxyhex-2-enoate
Peak:m/z	Relative Intensity
51.55626	0.6
53.03938	1.2
54.03446	0.6
57.03429	5.0
58.02950	2.1
58.06589	0.9
60.04520	31.5
61.31911	0.8
67.50208	0.6
68.05021	60.4
69.03423	43.7
69.05361	0.8
70.02949	5.9
70.06574	1.3
70.34602	1.2
70.35007	1.6
71.04968	0.7
72.04497	4.7
73.02883	1.6
74.02439	4.6
80.05010	17.5
83.01320	1.6
84.04494	2.7
85.02909	1.9
86.06062	14.0
88.03976	4.6
90.80013	0.8
92.16492	0.8
94.02917	2.9
95.06099	0.8
96.04479	27.2
96.07446	0.6
98.06046	35.9
98.97569	1.0
99.06392	1.0
100.03941	1.3
101.02394	1.4
104.03459	7.1
107.01799	0.7
112.03963	7.9
113.24097	0.7
113.35870	0.9
114.05518	49.4
116.10709	1.6
116.98628	1.1
118.08655	1.3
119.01855	0.7
124.03941	8.7
132.06549	92.4
133.06876	2.0
142.04985	37.0
143.05307	0.9
154.31853	0.7
160.06046	25.6
173.02968	1.1
178.07091	100.0
179.07448	1.9
183.87064	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1226
Annotation	Valerianine
Peak:m/z	Relative Intensity
52.73283	0.3
56.96540	0.4
63.89574	0.2
67.05495	0.4
70.55251	0.2
70.77195	0.7
76.78580	0.3
79.05474	0.4
80.04996	0.3
91.05468	0.5
92.05008	0.5
93.05807	0.4
105.07019	0.5
106.06564	0.3
107.08588	0.8
110.83095	0.3
115.05443	0.6
117.07005	1.4
118.03754	0.3
118.05686	0.4
118.06535	8.4
118.07346	0.5
118.96774	0.4
119.07323	9.0
132.08115	0.8
134.09644	57.8
135.09982	1.5
152.27512	0.3
160.11195	0.9
162.09148	2.7
163.09886	1.1
163.78191	0.3
178.12259	100.0
179.12608	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	178.071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74882	0.8
53.03935	1.4
55.01866	1.6
55.93570	0.7
56.05027	1.8
56.96557	1.4
57.03435	6.0
58.02974	1.6
58.06594	1.6
58.99569	1.5
58.99853	1.0
60.04525	32.9
60.05643	2.7
61.02922	1.7
67.05498	2.1
68.05028	66.4
69.03428	52.6
69.05350	1.0
70.02958	6.5
70.06589	10.8
70.67089	2.3
71.05003	1.4
71.06926	5.2
72.04511	5.6
72.07251	1.3
72.08152	1.8
73.02910	4.8
74.02441	5.7
74.06087	1.3
76.02211	3.8
76.86687	0.8
77.00874	1.8
80.05015	22.6
81.03415	1.9
82.02977	1.0
83.01344	2.4
84.04505	3.3
84.08135	6.5
85.02908	5.6
86.06062	14.5
87.04449	1.1
88.03991	5.3
88.77259	0.8
94.02918	2.6
94.06564	1.9
95.04935	1.2
96.04490	28.2
96.05110	1.4
97.02889	2.2
98.06052	33.4
100.02494	0.8
100.07570	0.8
100.25043	0.9
101.02375	2.0
103.03894	0.8
104.03446	5.2
105.00344	0.7
107.04947	0.9
107.96032	2.1
109.02980	1.2
112.03964	8.1
114.05528	54.4
116.07040	0.8
118.08626	1.0
119.01899	3.2
119.07875	1.8
124.03960	7.8
125.02343	1.5
129.03958	2.2
131.01906	2.9
132.02028	3.0
132.06561	98.6
133.01692	1.1
133.03447	1.8
134.01901	7.2
142.04993	39.6
142.08662	1.4
143.01901	1.0
144.99786	1.6
145.03487	2.2
147.05014	2.9
149.02959	1.1
150.03146	1.1
152.07034	1.3
155.01868	9.2
155.03780	1.1
156.02039	1.2
157.03510	1.7
160.06061	23.4
160.09682	1.1
163.06285	4.3
172.95233	1.4
173.02963	26.8
174.03059	1.8
178.00935	1.6
178.07118	100.0
178.08586	8.5
178.14267	1.0
179.07442	1.3
187.80966	0.8
190.92302	0.9
190.96379	0.8
191.02353	1.2
191.03885	5.4
196.04552	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	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03947	3.1
55.01871	0.7
55.05512	17.5
57.07080	2.9
61.11509	0.5
62.06679	0.7
62.86906	0.6
65.03941	2.3
67.05505	51.2
68.05836	0.9
69.07069	11.0
69.99557	3.0
71.08632	1.2
74.09026	0.6
74.44980	0.6
75.71930	0.7
77.03895	0.9
79.05495	74.8
80.05030	1.0
80.05843	1.3
81.03407	0.8
81.07059	41.5
83.05001	0.8
83.08627	7.8
91.05480	20.7
91.24271	0.5
92.05811	0.7
93.07045	86.2
94.07384	1.3
95.04973	8.5
95.08607	53.0
96.08918	1.1
97.06549	2.1
97.10155	2.8
98.20830	0.8
98.98470	10.2
103.05458	0.7
105.04556	0.7
105.07030	7.7
107.04961	1.5
107.08596	45.7
108.08920	1.4
109.06514	2.7
109.10157	17.7
110.10419	0.6
117.07013	4.5
119.08565	1.8
121.06552	1.2
121.10144	100.0
122.10483	2.3
131.04939	0.7
131.07704	0.5
131.08568	4.1
132.04431	1.1
133.10130	5.8
135.08051	1.5
135.11693	36.4
149.02362	1.8
149.06009	0.8
149.13246	4.2
159.11693	7.4
160.03954	1.1
160.07613	0.7
163.06332	0.9
177.05368	1.4
177.06721	1.3
177.09088	1.4
177.12781	11.7
177.16386	36.8
178.04979	1.6
178.08575	1.9
178.16772	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.02381	1.0
52.45546	0.5
53.03944	4.0
55.01871	7.1
55.02119	0.8
55.05512	12.4
56.89321	0.5
57.03435	1.8
57.07074	1.0
63.82362	0.5
64.73136	0.6
65.03939	2.6
67.05504	28.2
67.31932	0.5
68.05025	0.6
68.05826	0.5
68.06752	0.5
69.03423	3.1
69.06722	0.8
69.07068	11.0
71.04980	0.8
71.08634	1.9
71.59047	0.8
77.03926	1.2
79.05491	69.5
80.05832	2.3
81.03411	1.6
81.07056	52.7
82.07391	1.1
83.04976	1.3
83.08603	3.3
85.06541	1.2
91.05478	100.0
92.05812	2.6
92.06317	0.9
93.07040	45.2
94.07401	0.9
95.04965	17.0
95.08604	13.1
97.06534	4.4
98.98462	7.3
99.08083	6.5
101.56314	0.5
103.05473	2.0
105.04512	2.3
105.07032	17.9
106.07322	0.7
107.04955	17.2
107.07871	0.9
107.08589	16.0
107.09306	1.2
108.43297	0.5
109.06505	4.0
109.10157	1.5
111.08076	13.6
112.08456	0.6
115.05438	5.2
116.99487	0.6
117.07014	69.6
118.07361	1.9
119.04987	0.6
119.08594	2.5
120.05696	1.2
121.06508	12.6
121.10137	10.1
123.08092	0.8
129.07018	1.9
131.08562	19.0
132.04448	0.8
132.08913	0.7
133.06531	1.0
133.10114	6.9
135.08055	5.0
135.11659	2.8
136.03937	0.7
144.09340	1.4
145.02811	0.7
149.02328	1.4
149.09592	1.8
149.13242	5.5
155.02946	0.8
157.10110	0.7
159.11685	8.5
160.03909	0.8
160.07599	0.6
177.05379	1.0
177.12743	86.5
177.16090	3.6
178.04953	1.0
178.08571	1.3
178.13135	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	177.1637
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03933	3.6
55.01862	1.4
55.05264	1.3
55.05509	17.1
57.07071	2.6
62.16503	0.8
65.03922	2.6
67.05504	46.1
68.05848	1.0
69.03403	1.3
69.07066	13.9
71.59665	1.0
77.03893	1.0
79.05491	67.2
80.05828	1.5
81.03378	0.9
81.07056	39.1
83.04961	0.9
83.08606	9.9
85.06487	1.0
88.88152	0.8
91.05484	20.6
93.07041	88.3
94.07356	1.8
95.04955	6.1
95.08604	51.6
97.06500	3.2
97.10152	3.6
98.98468	26.1
102.78962	0.9
105.07031	11.0
106.06583	1.1
107.04945	1.7
107.08592	50.8
108.08881	0.9
109.06488	3.7
109.10155	18.4
111.08024	0.9
116.99506	1.6
117.03398	1.5
117.07009	6.5
119.08575	5.0
121.02824	1.0
121.06484	2.3
121.10139	100.0
122.10479	2.5
129.06981	0.8
131.08575	6.9
132.04474	1.1
133.07634	0.9
133.10118	8.3
135.08052	2.4
135.11690	35.9
145.02777	1.0
149.02299	4.0
149.05969	1.4
149.09561	1.6
149.13240	5.7
159.08069	1.5
159.11679	10.7
160.03955	0.9
160.07533	1.2
162.05048	1.9
163.06306	3.6
177.05415	3.7
177.06509	1.2
177.07394	2.3
177.09052	2.6
177.12776	21.9
177.16379	38.9
178.05006	1.9
178.08591	6.4
178.16733	1.4
184.42276	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1273
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.02370	0.7
51.43489	0.5
53.03944	3.9
55.01871	3.1
55.05262	0.7
55.05510	8.4
55.12506	0.5
56.18363	0.5
56.96568	5.3
57.03435	1.4
58.87387	0.5
60.04513	0.5
65.03940	2.0
67.05502	39.7
67.86812	0.5
68.05019	1.4
69.03424	1.9
69.07067	7.6
70.06584	0.6
71.04996	1.0
71.58546	0.7
77.03926	1.4
79.05490	49.7
80.05824	0.9
81.03416	2.1
81.07053	50.7
82.06591	0.5
82.07390	1.4
83.04983	4.6
83.08619	12.3
85.04008	0.9
85.06541	1.2
85.40000	0.4
86.06081	0.8
88.02232	0.5
88.99044	0.5
89.03928	2.1
91.05479	56.2
92.05816	1.4
93.07040	100.0
94.07375	2.3
95.04965	19.4
95.05953	0.7
95.08601	15.1
96.04501	1.1
96.08908	0.5
97.06527	14.2
97.10164	0.5
98.06075	0.9
98.98466	23.5
99.08077	2.5
103.05478	2.1
105.04549	1.7
105.07026	20.7
106.06544	0.6
106.07324	0.6
107.04948	3.9
107.06085	0.5
107.07863	1.1
107.08591	19.0
109.06514	7.3
109.10153	2.2
111.08061	3.1
114.05489	0.6
115.05441	1.7
116.06264	0.9
116.98648	0.6
116.99460	0.9
117.03392	2.6
117.07013	28.2
118.07858	0.9
119.08566	4.8
121.02885	1.2
121.06484	4.9
121.10143	15.0
121.11030	0.7
122.06039	0.7
122.07210	0.6
123.08111	0.6
129.07004	1.8
129.40651	0.5
131.01895	1.8
131.04910	2.2
131.08566	35.9
132.04440	0.7
132.06552	1.2
132.08926	1.0
133.06476	2.2
133.10127	23.8
134.06021	1.0
134.10472	0.9
134.99654	0.8
135.04448	0.6
135.08060	4.5
135.11700	7.0
136.03954	0.6
136.08719	0.9
144.09346	1.0
145.02847	2.3
149.01332	0.6
149.02293	3.5
149.05972	3.2
149.09604	3.1
149.13269	8.7
157.10123	1.3
159.08078	1.7
159.11685	46.3
160.03944	1.1
160.07538	1.0
160.12054	2.2
161.09589	0.5
162.03093	0.6
162.05049	0.5
163.06287	1.0
172.95226	1.5
177.05321	3.9
177.06470	1.0
177.07736	1.0
177.08968	2.5
177.12741	52.8
177.16299	5.8
178.05005	1.6
178.07077	1.5
178.08650	3.1
178.10898	0.6
178.13101	2.3
189.13031	0.5
190.96492	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.2
55.01861	3.8
55.05510	13.6
56.96566	17.0
57.03427	3.2
59.04998	1.7
64.13341	1.2
65.03936	4.7
67.05505	38.1
67.38562	1.2
69.03423	2.3
69.07069	15.2
71.59474	1.3
77.03920	1.5
79.05495	55.2
80.05030	1.6
80.05809	1.7
81.03402	2.8
81.06581	2.7
81.07059	50.1
83.04976	5.4
83.08620	13.1
85.06525	1.4
88.02190	2.1
89.03874	1.5
91.05484	59.0
92.05787	1.4
93.07043	100.0
94.07372	2.2
95.04974	22.6
95.08604	22.1
97.06532	14.2
98.98467	37.4
99.08088	1.8
103.05461	5.5
104.59366	1.3
105.04522	2.3
105.07035	31.7
106.06612	1.4
107.04947	5.6
107.08598	36.9
109.06525	6.9
109.10158	4.1
111.08086	2.6
115.05444	2.9
116.99448	3.1
117.03387	2.4
117.07014	29.4
119.08563	9.1
119.66301	1.3
121.02843	1.4
121.06509	6.9
121.10134	37.6
122.07053	1.2
123.08035	1.8
129.07037	3.5
131.01901	4.3
131.04941	2.5
131.08560	32.4
132.04414	2.3
132.08096	2.0
132.08980	1.5
133.10129	23.4
134.05995	2.7
135.08031	5.9
135.11719	10.6
142.50461	1.2
145.02881	3.1
149.02307	7.4
149.03398	1.5
149.06003	3.1
149.07094	2.2
149.09653	4.3
149.13268	12.2
150.05504	1.6
153.93782	1.9
154.03452	2.1
154.94221	1.3
155.07954	1.5
159.08041	1.6
159.11693	40.7
160.03871	2.1
160.07570	3.0
160.12080	1.4
163.07065	2.1
166.08307	2.8
172.95287	3.9
175.02882	1.3
175.08795	3.6
177.05435	11.5
177.06670	4.7
177.09131	4.9
177.12755	64.1
177.16350	13.9
178.04982	3.8
178.08594	8.2
178.13129	3.1
190.95251	2.9
195.16496	1.4
195.96822	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1275
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03948	3.8
55.01873	4.2
55.05513	6.5
56.96562	0.9
57.03458	1.1
65.03944	1.9
65.20689	0.4
67.05505	32.9
68.05820	0.5
69.03432	1.4
69.07071	12.7
69.07455	0.6
69.94515	1.2
69.94901	1.0
77.03921	0.9
79.05494	49.0
80.05815	0.9
80.81957	0.5
81.03430	1.2
81.07059	49.1
82.07399	0.9
83.04981	2.4
83.08615	8.3
85.04046	0.7
85.06557	2.3
89.03927	1.3
91.05484	40.4
92.05792	1.3
93.07046	100.0
94.07357	2.7
95.04972	16.1
95.08610	11.7
95.09064	0.3
97.06538	10.4
98.98467	11.2
99.08105	1.0
103.05478	1.6
105.04520	1.8
105.07035	26.0
107.04967	1.6
107.08597	23.4
108.08958	0.6
109.06538	4.5
109.10140	1.4
111.08089	2.0
115.05453	1.8
116.06224	0.9
117.03381	2.2
117.06219	1.1
117.07020	17.5
118.07877	0.6
119.08592	4.6
120.08133	0.8
121.06514	3.5
121.07250	0.6
121.10148	13.9
121.11026	0.7
123.08086	0.8
129.07002	2.3
131.04932	1.1
131.08572	26.0
132.06633	1.0
132.08934	0.9
133.06526	0.8
133.10135	28.4
134.10506	0.8
135.04446	0.8
135.08069	6.3
135.11673	5.0
136.08705	0.8
137.09538	0.7
144.09361	2.4
145.02843	1.6
149.02335	2.7
149.05995	1.7
149.09633	2.3
149.13258	22.5
150.13655	1.1
157.10233	0.8
159.08122	1.0
159.11694	37.9
160.07558	0.7
160.12042	1.0
177.05437	2.0
177.09117	1.9
177.12747	55.3
177.16156	3.1
178.07132	0.8
178.08624	1.5
178.13089	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1275
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
50.01605	0.5
51.02364	0.9
53.03929	2.4
55.01871	6.4
55.05507	6.9
56.96554	2.3
57.03436	2.7
61.50545	0.6
65.03928	1.8
67.05503	34.2
68.05023	0.7
69.03411	1.5
69.06719	0.7
69.07064	8.2
71.04969	1.1
71.39270	1.1
77.03912	0.8
79.05492	46.5
79.74780	0.6
80.05798	1.0
81.03420	4.0
81.07055	48.4
82.07355	1.5
83.04538	0.9
83.04981	8.5
83.08611	6.2
85.06540	1.3
86.30205	0.5
88.02193	0.5
88.30852	0.6
89.03889	1.0
91.05478	55.9
92.05788	1.5
92.36946	0.5
93.03397	0.6
93.04578	0.7
93.07040	62.8
94.07346	1.4
95.04967	13.1
95.08602	14.4
97.06530	17.7
98.98466	16.6
99.08086	1.6
103.05440	1.5
105.04497	1.0
105.07027	33.2
106.07330	0.7
107.04954	5.0
107.08591	26.2
108.08929	0.8
109.06538	6.9
109.10138	2.4
111.08080	4.3
115.05423	3.2
116.06245	1.3
116.99506	0.9
117.03372	1.7
117.07015	42.4
118.07301	1.0
119.08589	8.6
120.38987	0.5
121.02911	0.8
121.06489	5.2
121.10139	19.5
122.06004	0.8
123.08044	1.5
129.06987	2.0
130.07796	0.7
131.01860	1.2
131.04886	1.0
131.08566	48.3
132.04457	1.3
132.08904	1.2
133.06477	2.2
133.10127	63.7
134.10431	2.3
135.08047	8.5
135.11684	15.9
136.08798	0.8
136.11971	0.6
137.09608	1.6
144.09305	2.4
145.02808	1.3
148.08789	0.7
149.02328	2.0
149.05954	1.6
149.09636	5.3
149.13261	14.6
150.10185	0.6
154.03400	0.7
157.10104	1.8
159.11687	73.5
160.03880	0.8
160.07574	1.2
160.12036	4.0
162.04991	1.0
163.06271	1.2
172.95267	1.0
177.05429	1.9
177.09166	2.4
177.12744	100.0
177.16151	5.6
178.05058	1.6
178.07104	0.9
178.08563	3.1
178.13132	5.0
182.45523	0.6
190.96445	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1273
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03938	2.2
55.01872	5.0
55.05511	4.7
56.96551	4.0
57.03433	1.4
58.25929	0.8
65.03920	1.4
67.05505	24.7
69.07072	8.9
71.60088	1.3
77.03907	0.9
77.41158	0.8
79.05492	31.3
81.03400	4.9
81.06573	1.7
81.07056	35.2
82.07360	0.8
83.04982	4.2
83.08638	4.3
89.03917	1.5
91.05478	35.2
92.05774	0.9
93.07043	48.4
95.04967	11.2
95.08608	10.3
97.06534	9.3
98.98493	1.0
105.06376	1.4
105.07031	19.5
107.04927	4.9
107.08591	20.2
109.06506	6.2
109.10146	1.8
111.08054	4.6
115.05429	1.3
117.03373	2.7
117.07016	21.3
119.08556	5.8
121.06506	3.8
121.10152	10.6
123.08141	1.1
129.07007	1.7
131.08568	28.3
132.08873	0.9
133.10129	35.1
135.08063	8.8
135.11707	9.1
144.09343	1.6
145.02840	3.6
147.05699	0.8
149.02335	2.3
149.05980	1.8
149.09616	3.3
149.13245	13.3
154.06447	1.7
157.10126	1.4
159.11693	43.8
160.12007	1.4
162.10565	1.0
163.06985	1.1
177.05464	2.3
177.12746	100.0
177.16174	2.4
178.13037	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	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03936	2.8
53.84009	0.7
55.01878	6.8
55.05314	0.7
55.05512	8.7
56.96564	4.9
57.03433	2.2
57.07056	1.2
59.13873	0.8
65.03934	1.8
67.05505	29.8
69.03427	1.5
69.06794	0.7
69.07069	9.2
69.28910	7.9
71.04984	0.9
79.05493	38.3
80.05820	1.0
81.03416	7.6
81.07056	42.1
82.07393	1.3
83.05009	3.9
83.08627	6.1
85.06516	1.9
88.02199	0.9
91.05482	36.3
92.05792	1.3
93.07043	56.0
95.04970	13.5
95.08607	13.6
97.06528	9.9
98.97861	1.6
98.98469	19.1
103.05479	2.4
105.04517	0.8
105.07034	26.5
106.06567	0.8
106.07306	1.1
107.04942	9.3
107.08588	28.2
109.06502	7.6
109.10155	2.4
111.08094	4.1
115.05432	2.4
116.06215	1.2
117.05736	1.1
117.07014	28.4
119.08584	9.2
121.06504	6.1
121.09318	1.5
121.10142	19.6
122.06015	0.8
123.08031	1.3
129.07007	2.2
131.04926	1.2
131.05957	0.9
131.08563	33.2
132.04417	0.9
132.08035	1.1
132.08919	1.1
133.06487	4.3
133.10135	33.7
134.10435	1.1
135.08058	10.4
135.11693	12.1
136.03886	0.9
144.09309	2.4
145.02856	1.7
149.02353	2.9
149.05991	1.6
149.09605	3.4
149.13255	16.0
152.37862	0.8
155.03862	0.8
157.10165	1.6
159.08160	1.5
159.11693	41.1
160.07553	1.6
160.12096	1.9
163.06221	1.1
177.05472	2.3
177.12749	100.0
177.16159	6.2
178.05005	1.5
178.08614	2.9
178.13268	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	177.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.0
53.03945	3.1
55.01865	6.9
55.05511	8.2
56.05057	0.7
56.96555	3.8
57.03432	1.2
59.06120	0.8
60.04518	1.5
63.02381	1.0
65.03938	2.2
67.05502	33.4
68.05023	3.3
68.05840	0.9
69.03417	3.0
69.07070	12.7
69.07433	0.6
70.06591	1.7
71.04985	0.8
71.58222	0.8
77.03922	1.2
79.05494	49.0
80.05027	2.0
81.03413	2.1
81.07056	54.5
82.07362	1.1
83.04976	2.6
83.08614	10.0
84.08142	1.1
85.06542	2.2
88.02221	1.5
89.03922	8.1
91.05480	48.6
92.05823	1.6
93.07042	100.0
94.06622	0.8
94.07375	3.0
95.01373	0.6
95.04966	16.0
95.06068	1.0
95.08607	17.5
96.04491	1.2
97.06538	8.1
98.04829	0.9
98.06040	1.1
98.97572	1.6
98.97704	1.0
98.98468	32.7
99.08089	2.4
100.98877	1.1
101.58082	0.7
103.05462	3.3
104.05022	0.9
105.03421	0.7
105.04536	2.4
105.07028	27.1
106.06590	0.9
106.29904	0.7
107.04942	2.7
107.08595	34.3
109.06506	4.7
109.07635	1.0
109.10152	4.1
109.10815	0.7
110.07143	0.7
111.08095	2.7
114.05551	1.5
115.05454	2.8
116.98631	2.1
116.99518	2.0
117.03378	10.0
117.07016	19.8
118.07314	1.2
119.06085	1.4
119.08579	4.7
120.08097	2.5
120.08910	0.7
121.02861	1.9
121.06503	6.1
121.10139	25.0
122.07137	1.0
122.10479	1.5
129.07019	2.5
130.04645	0.8
130.07773	1.0
131.01938	1.2
131.04883	2.6
131.07590	1.5
131.08563	27.9
132.04495	1.0
132.05623	0.7
132.06558	2.5
132.08032	1.2
132.08922	1.1
133.06494	1.9
133.10121	27.0
134.03668	1.3
134.99666	3.5
135.04413	1.6
135.08041	7.5
135.11684	8.1
135.48151	0.7
136.08719	1.7
137.08284	1.0
137.09393	1.7
142.05005	1.3
144.09346	1.5
145.02829	9.4
147.08047	1.0
149.02263	4.6
149.06003	4.7
149.09618	3.3
149.13258	18.4
149.14377	1.3
150.05443	1.0
150.06589	0.9
150.10255	0.9
151.03943	0.8
153.00746	1.0
157.10136	1.1
159.04384	1.0
159.08026	2.4
159.11691	38.6
160.03946	1.8
160.06239	0.9
160.07504	1.2
160.12047	1.3
162.03021	1.1
162.05040	2.2
162.06648	0.7
163.06293	3.1
172.95284	1.1
177.05475	8.1
177.07466	4.8
177.09134	5.7
177.12744	54.4
177.16310	10.2
178.05038	2.4
178.07072	3.1
178.08635	6.6
178.10843	1.5
178.13086	2.6
178.15872	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03934	1.7
55.01868	4.0
55.02097	0.5
55.05508	3.6
56.96555	1.6
57.03427	2.4
65.03918	1.0
67.05501	22.0
69.03380	0.9
69.07065	6.8
70.03130	3.3
71.04965	0.6
77.03935	0.9
79.05490	31.8
81.03408	3.0
81.07052	43.2
83.04990	3.6
83.08597	2.4
85.06561	1.5
89.03896	1.6
91.05473	31.5
93.07039	47.1
94.07368	1.0
95.04964	11.1
95.08602	9.8
97.06522	10.7
98.21486	0.7
98.98481	1.1
105.07025	18.1
107.04932	2.8
107.08596	19.4
109.06487	5.2
109.10115	1.6
111.08109	4.3
115.05438	1.2
117.03349	2.5
117.07010	21.0
119.08565	5.8
121.06495	2.9
121.10125	9.6
129.06996	1.6
130.07753	1.2
131.08565	27.6
132.08931	1.0
133.10127	29.7
134.10442	1.3
135.08043	7.2
135.11673	8.7
144.09363	1.7
145.02815	2.7
147.11681	0.9
149.05980	1.3
149.09630	3.8
149.13255	16.8
153.93727	0.7
157.10094	1.1
159.11685	49.0
160.12033	1.4
170.36856	0.7
172.94246	0.7
177.05437	2.4
177.09283	2.0
177.12740	100.0
177.16188	2.2
178.13066	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.04588	0.9
53.03938	4.4
53.62341	0.9
55.01865	2.9
55.05516	10.3
56.96330	1.2
56.96566	13.2
57.03421	3.4
59.30500	0.9
59.48236	0.9
59.64817	0.9
59.94549	1.0
63.50063	0.9
63.74463	0.9
65.03927	2.8
67.05505	41.2
68.05041	1.0
69.03429	2.1
69.07066	14.4
70.06584	1.0
71.05001	1.3
77.02358	1.1
77.86546	1.0
79.05495	54.8
80.05820	2.0
81.03407	2.7
81.07059	57.5
83.04977	3.7
83.08616	14.3
83.58823	1.1
88.02222	1.1
89.03925	2.8
91.05480	57.0
92.05767	1.3
93.07043	100.0
94.07359	1.8
94.90038	1.2
95.01340	1.0
95.04970	19.7
95.08607	22.7
97.06526	17.0
98.72124	1.0
98.98470	40.7
99.08087	3.3
100.98875	1.4
103.05480	2.7
105.04547	3.2
105.07030	25.0
107.04964	3.9
107.08591	32.0
107.09305	2.1
109.06512	7.7
109.10192	5.5
110.06946	1.2
111.08089	3.2
115.05442	2.7
116.99505	2.1
117.03387	2.3
117.07023	29.8
119.08594	10.0
121.06469	4.9
121.10140	34.9
122.10477	1.9
123.08088	1.6
128.04939	1.0
129.07057	1.8
130.07755	1.2
131.01888	5.1
131.07043	1.4
131.08563	33.0
132.04504	1.3
132.08049	1.2
132.08945	1.2
133.06500	2.2
133.10132	20.7
135.08080	5.9
135.11688	11.2
142.02861	1.2
144.09337	1.2
145.02878	2.4
147.03261	2.2
149.02193	5.7
149.06038	2.3
149.09615	3.5
149.13257	12.0
153.93707	2.7
154.03526	3.1
154.06396	1.6
159.08087	2.9
159.11697	47.8
160.03952	1.7
160.07501	1.7
160.12044	2.9
162.05115	4.5
163.06180	7.1
166.08325	1.1
172.95247	2.9
175.08873	1.8
177.05431	8.9
177.07393	7.3
177.09109	3.3
177.12756	62.3
177.16351	13.8
178.04904	2.2
178.06274	1.7
178.08638	14.3
178.13245	2.1
185.26201	1.1
190.95201	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03930	4.8
55.01857	6.6
55.05512	16.5
56.96564	22.3
57.07053	2.4
65.03939	2.7
65.70509	1.7
67.05499	29.7
69.03421	3.8
69.07078	21.3
70.64246	6.1
79.05067	3.6
79.05494	41.7
81.03409	6.6
81.07058	46.2
82.07384	2.0
83.04984	4.0
83.08609	8.5
89.03917	3.3
91.05489	36.3
92.10320	1.8
93.07045	68.0
95.04976	18.9
95.08607	31.4
97.06537	9.3
98.98470	71.2
98.99128	3.4
103.05437	3.9
105.07039	25.7
107.04963	14.4
107.08598	45.1
109.06512	7.0
109.10168	7.2
111.08096	5.3
115.05431	2.2
116.04887	1.8
116.99494	2.9
117.03372	2.6
117.07040	23.1
119.08578	9.2
121.02890	2.3
121.06507	5.7
121.10149	52.3
121.34215	1.7
128.98631	3.1
129.06996	2.6
131.01927	3.1
131.08575	26.7
132.04526	2.0
133.06555	1.9
133.10133	28.5
134.03645	2.6
135.04433	2.3
135.06885	2.1
135.08047	10.0
135.11694	15.0
140.01180	1.8
145.02838	4.5
146.99612	2.8
149.02275	12.1
149.05981	3.8
149.09631	5.0
149.13257	15.5
159.08049	3.0
159.11694	37.4
160.03944	2.7
160.07607	2.3
162.05060	7.4
163.06268	9.1
172.95343	1.9
173.07675	2.0
177.05428	10.4
177.07384	9.5
177.09126	6.3
177.12753	100.0
177.16296	16.8
178.05045	2.0
178.07060	4.3
178.08604	22.2
178.12988	2.8
189.04330	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	177.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.7
53.13484	1.1
53.73876	1.2
55.01859	5.2
55.05259	2.0
55.05507	31.8
56.96564	1.5
57.03426	9.1
57.07062	3.6
65.03928	2.0
67.05499	22.7
69.03432	8.4
69.07063	35.9
69.65929	1.1
70.76159	4.2
71.04985	6.2
77.03901	1.8
79.05489	60.0
81.03383	1.2
81.07049	42.7
83.04958	5.0
83.08607	8.3
85.06535	1.8
89.03909	4.0
91.05473	53.4
93.03416	1.3
93.07036	100.0
94.07353	2.0
95.04958	16.4
95.08601	18.6
97.06520	4.9
98.98457	2.3
102.57183	1.1
103.05467	2.5
104.06269	1.2
105.04501	1.7
105.07021	40.0
106.07320	1.4
107.04947	13.2
107.08584	60.6
108.10746	1.2
109.06499	16.6
109.10120	1.9
111.01437	1.2
115.05447	8.1
116.06198	2.1
117.03372	3.4
117.07009	41.1
119.08562	19.2
121.06498	25.0
121.10130	20.2
122.07270	2.2
123.08091	2.9
128.06149	1.4
129.07004	9.4
130.07750	7.1
131.08553	42.7
132.08920	1.4
133.06465	3.7
133.10106	14.3
135.08040	17.1
135.11685	12.1
136.08403	1.3
144.09346	11.2
145.02812	5.7
147.08153	1.9
147.11688	2.0
148.08788	2.4
149.02322	2.9
149.05968	3.3
149.09601	3.8
149.13255	16.8
153.93663	1.6
156.09267	1.2
157.10146	2.3
159.08061	2.1
159.11678	37.6
160.12004	1.4
175.23129	1.3
177.05453	4.2
177.09161	2.6
177.12733	65.1
177.16331	2.5
178.13115	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72937	0.8
51.75229	0.9
53.03939	3.1
53.52827	0.7
55.01874	8.2
55.05511	9.6
56.96576	4.8
57.03423	2.8
59.04977	1.8
60.04528	1.0
65.03938	2.5
67.05507	29.5
68.86776	0.8
69.03426	1.9
69.06779	0.8
69.07071	9.4
70.94747	2.5
71.04985	1.2
77.03928	1.0
79.05495	45.0
80.05000	1.2
81.03412	5.5
81.07060	48.3
82.06583	1.2
82.07366	1.5
83.04989	5.8
83.08617	7.2
88.02193	1.0
89.03922	7.8
91.05484	45.0
93.07046	59.2
94.07359	1.5
95.04967	15.0
95.08608	17.6
97.06535	13.1
97.60388	0.9
98.98468	30.9
99.08122	0.9
103.05473	2.5
105.04554	1.2
105.07035	28.5
105.85330	0.9
107.04947	11.6
107.08598	32.3
109.02874	1.0
109.06529	7.4
109.10140	3.7
111.08099	4.0
115.05484	2.0
116.06215	1.4
116.99488	1.6
117.03393	9.4
117.07018	28.9
119.04899	1.0
119.08578	7.7
121.02848	1.4
121.06506	8.6
121.10143	26.6
123.08101	1.7
129.06998	2.3
131.01894	1.5
131.04976	0.8
131.08574	31.2
132.04399	1.9
132.08919	1.9
133.06500	1.6
133.10135	34.0
134.03607	1.6
134.06004	1.1
135.04460	1.0
135.08066	10.2
135.11700	12.9
136.08690	1.2
144.09322	2.2
145.02837	8.7
149.02367	3.5
149.06013	4.8
149.07048	1.3
149.09624	5.9
149.13255	15.9
154.06519	1.0
157.10110	1.4
159.08115	2.6
159.11699	46.3
160.03912	1.5
160.07584	2.3
160.12076	2.0
163.06204	1.0
172.95284	1.5
177.05354	5.8
177.06650	2.2
177.09164	3.7
177.12752	100.0
177.16171	6.8
178.04990	2.8
178.08534	4.7
178.13187	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	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.44370	0.5
53.03934	1.2
53.88243	0.4
55.01876	1.0
55.05501	1.1
56.05017	0.5
56.96559	2.9
57.93551	0.4
59.06095	0.7
63.02373	1.1
65.03954	0.7
67.05488	1.0
68.05013	1.1
69.03410	0.9
69.07055	1.0
69.94405	0.4
70.39145	0.8
70.39536	1.0
71.04997	0.7
71.85874	0.4
78.04708	4.1
79.05486	2.4
80.05001	0.7
81.04527	0.5
81.07045	1.7
83.08617	0.6
85.02896	0.6
85.04043	0.5
87.05584	1.3
88.02235	0.5
89.03909	51.3
90.04253	1.1
90.66088	0.5
91.05473	6.1
93.07034	2.4
95.04967	2.0
95.06068	1.1
95.08585	1.1
97.07647	0.8
98.97581	2.1
98.98449	2.1
103.05463	2.9
105.03384	0.9
105.04526	0.5
105.07038	3.1
106.04176	3.2
106.06589	0.5
107.04945	1.7
107.06055	0.6
107.07972	0.5
107.08559	2.9
109.06505	0.8
109.07642	0.7
116.98627	2.7
117.03368	80.8
118.03652	2.4
118.96753	2.7
119.04955	0.5
119.06075	0.5
119.08591	0.5
120.08109	0.7
121.02866	0.7
121.06493	2.6
121.10110	3.4
122.07159	0.8
124.03933	0.4
124.05187	2.0
131.01846	0.5
131.04945	4.3
131.06831	0.9
131.08556	2.3
132.04454	0.7
132.05602	0.6
132.06540	0.5
133.06526	2.0
133.07436	0.4
133.98962	0.5
134.03624	10.8
134.05986	0.5
134.07104	0.7
134.09703	0.6
134.95894	0.8
134.99654	3.9
135.04407	10.2
135.08015	1.2
135.11652	0.9
136.08745	0.5
137.09491	0.8
145.02832	100.0
146.03130	3.9
146.06010	2.1
147.04373	0.5
149.02310	1.9
149.05968	30.3
149.09561	0.8
149.13237	0.5
149.94580	1.4
150.06424	1.7
150.10248	0.8
151.09789	0.6
151.98535	0.5
152.96954	0.9
153.00726	0.8
154.99013	0.6
158.06030	1.1
159.04387	2.8
159.08043	0.6
159.11671	0.8
160.07579	0.5
162.03102	3.5
163.03900	5.2
177.05447	34.2
177.11293	2.5
177.12717	2.1
177.16313	1.4
177.98076	1.0
178.05807	0.6
178.07156	0.8
178.08496	0.5
178.10867	0.6
178.12209	0.7
186.05435	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
55.01867	3.7
55.05506	10.8
56.96563	31.3
57.03426	4.2
57.07069	4.8
58.99583	2.9
60.19806	1.5
63.91951	1.6
65.03947	3.6
67.05232	1.5
67.05502	19.7
69.03414	5.9
69.07050	7.9
70.07899	1.5
70.18404	7.9
71.04987	2.3
74.00669	16.6
79.05489	31.8
81.03409	4.4
81.07052	30.8
83.04946	3.9
83.08612	6.3
86.00631	8.1
88.02210	3.6
89.03899	16.5
91.05470	39.2
92.05827	2.3
93.07037	46.2
94.90018	6.2
95.04958	14.3
95.08603	21.3
97.06522	6.1
98.03104	2.2
98.21511	1.7
98.98454	8.5
100.31696	1.7
101.01708	13.3
103.05471	4.1
105.07022	35.2
107.04932	8.1
107.08587	43.8
109.06490	6.8
109.10147	6.7
115.05447	3.8
116.06239	2.6
117.03352	17.5
117.07003	22.5
117.97852	3.0
119.08568	42.3
121.06493	18.3
121.10140	38.0
122.06057	1.8
123.08070	2.6
128.06239	2.5
129.07002	18.3
130.07759	3.3
131.01888	9.4
131.04919	3.7
131.08553	39.9
133.06482	5.3
133.10126	22.7
134.03621	2.9
134.07222	2.2
135.04337	3.5
135.08083	11.5
135.11685	37.9
136.07629	2.0
136.08653	2.0
137.09584	2.5
142.07745	2.6
143.08531	2.9
144.09319	30.0
145.02803	26.8
146.04839	5.6
146.55214	2.3
149.02295	10.6
149.06010	15.4
149.09598	9.1
149.13248	7.1
153.93712	8.3
154.03479	3.7
154.06436	2.6
155.05360	4.1
155.55812	4.3
157.10077	3.9
158.06131	2.2
159.08043	7.7
159.11685	100.0
160.12019	2.8
161.07249	1.7
161.09796	1.7
171.94867	2.6
174.08002	1.7
174.58180	2.2
176.96097	87.0
177.05429	21.9
177.06664	2.2
177.09077	12.1
177.12735	90.0
177.16306	16.5
177.96400	3.6
178.04880	2.9
178.07149	1.9
178.12239	2.5
190.95325	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	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.01608	0.5
53.03946	0.9
54.34627	0.3
55.01868	0.6
55.05497	0.9
56.96560	1.1
57.27627	0.4
62.01603	0.5
63.02380	1.7
63.52920	0.4
65.03949	0.8
67.05507	1.2
68.05031	0.8
70.51116	1.5
72.08146	0.4
78.04699	3.0
79.05479	2.9
81.03400	0.4
81.07049	1.2
89.03914	51.7
90.04243	1.4
91.05480	5.7
93.07043	4.0
95.04951	1.7
95.08603	0.9
97.06541	0.4
98.97556	0.5
98.98466	1.3
103.05466	2.5
103.06091	0.5
105.03379	0.9
105.07033	1.6
106.04179	3.3
107.04959	1.0
107.08587	1.8
109.06501	0.4
109.25433	0.3
114.49379	0.4
116.98610	0.6
117.03375	79.3
117.07011	1.3
118.03664	2.2
119.04942	0.7
119.08587	0.5
120.08116	0.6
121.02824	0.5
121.06506	2.1
121.10120	1.2
122.06041	0.6
122.07074	0.6
124.05203	1.5
131.01831	0.5
131.04915	1.0
131.08583	2.0
132.06552	0.5
133.06592	0.3
133.10132	0.9
134.03627	12.2
134.05952	0.7
134.99643	0.7
135.04417	10.8
135.08038	0.6
135.11656	0.5
136.08690	0.5
145.02840	100.0
146.03166	3.2
147.04469	0.6
149.02327	1.4
149.05972	29.9
149.09526	0.9
150.06305	1.2
150.09135	0.5
150.10226	0.5
152.02322	0.7
158.05991	1.3
159.08063	0.7
159.11671	1.5
162.03117	3.2
163.03891	5.1
177.05461	32.4
177.09068	1.5
177.11366	0.9
177.12727	2.7
177.16405	0.5
178.05739	1.1
178.07178	0.8
178.08527	0.4
178.10855	1.8
186.05507	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.15954	0.3
53.03691	0.3
53.03933	0.8
55.01872	0.5
56.96569	0.4
58.45799	0.3
63.02376	1.3
65.03924	0.4
67.05511	0.5
70.17287	1.7
72.08149	1.1
78.04700	3.8
79.05469	1.9
81.07037	1.1
85.04199	0.3
89.03910	49.7
90.04266	1.1
91.05467	4.7
93.07053	2.3
95.04962	1.5
95.08601	0.8
98.98457	0.4
103.05472	2.5
105.03362	0.8
105.07032	1.1
106.04172	3.9
107.04967	0.7
107.08572	1.4
110.07859	1.0
115.05452	0.4
117.03370	81.5
118.03672	2.3
119.04916	0.6
119.08549	0.5
121.06488	1.7
121.10142	1.5
124.05207	1.3
129.04471	0.7
131.04901	1.2
131.08589	1.7
133.06487	0.6
133.10147	0.5
134.03629	10.9
135.04414	8.7
135.07999	0.4
145.02832	100.0
146.02081	0.5
146.03163	3.3
147.04375	0.7
149.05966	29.5
149.09610	0.7
149.13205	0.4
150.06303	0.6
158.06010	0.7
159.04456	0.6
159.11678	0.5
162.03127	2.8
163.03893	3.8
177.05457	29.6
177.09048	1.2
177.12747	1.2
177.16397	0.5
178.05818	0.8
186.05447	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03938	0.8
55.01872	0.5
56.28849	0.4
56.96558	0.4
63.02358	2.0
65.03934	0.5
67.05492	0.7
67.52422	0.4
68.13011	0.3
69.07069	0.6
69.79388	1.7
69.79800	0.8
70.06604	0.4
70.62684	0.3
72.08147	1.3
78.04707	3.8
79.05071	0.5
79.05508	1.3
81.07059	0.4
84.08168	0.4
89.03913	56.5
90.04253	1.5
91.05480	4.9
93.07037	2.1
95.04963	1.6
95.08606	0.9
98.20761	0.8
98.97552	0.4
98.98470	0.5
103.05457	2.2
105.03406	0.9
105.07027	0.8
105.22310	0.3
106.04169	3.9
107.04944	0.8
107.08564	0.4
110.07841	1.0
117.03374	89.5
118.03662	2.6
119.04919	0.8
121.06472	1.5
121.10107	0.5
124.05205	1.5
131.04918	0.7
131.08549	1.0
134.03633	11.9
135.04428	8.2
135.08000	0.7
139.08752	0.4
145.02840	100.0
146.03171	3.2
147.04338	0.4
147.94345	0.4
149.05971	30.5
150.06357	1.2
158.06068	0.9
159.11679	1.1
162.03128	2.4
163.03899	3.3
177.05464	28.1
177.09013	0.9
177.11380	0.8
177.12753	1.5
178.05759	0.9
186.05498	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03925	0.6
55.01855	1.2
55.05497	1.1
56.05032	0.5
56.96551	1.1
57.93565	0.6
63.02367	1.5
65.03940	0.4
67.05490	0.6
68.05015	0.5
69.03429	0.4
69.07053	0.9
69.90072	2.3
70.06584	0.9
72.08142	2.7
72.93771	0.6
74.00663	0.8
78.04697	3.3
79.05483	1.9
79.48629	0.4
80.05026	0.5
81.03419	0.6
81.07029	1.1
82.06606	0.5
83.06065	0.6
83.08598	0.5
85.04011	2.7
87.05572	0.8
89.03907	51.6
90.04242	1.7
91.05466	4.7
93.07030	2.5
94.06549	0.4
95.04980	2.0
95.06071	1.2
95.08602	0.7
96.04432	0.5
96.06856	0.5
97.07673	0.4
98.09675	0.5
98.97576	1.1
98.98447	0.9
103.05453	2.9
104.94837	0.7
105.03403	0.8
105.04477	0.5
105.07017	2.3
106.04160	4.0
107.04953	2.5
107.06064	0.5
107.08582	1.5
109.07623	0.5
109.10108	0.4
110.06023	0.3
110.07835	1.3
112.03955	0.4
112.11256	0.4
115.05359	0.4
116.98631	1.9
117.03365	84.9
117.07018	1.1
118.03666	1.8
118.96730	0.7
119.04925	1.0
119.08562	0.6
120.08102	0.4
121.02888	0.6
121.06523	1.8
121.10139	1.4
122.05999	0.5
122.07100	0.5
124.05180	1.5
131.04855	1.6
131.08557	1.4
133.06465	1.6
133.10063	0.4
134.03615	11.4
134.05943	0.4
134.07022	0.7
134.95857	0.7
134.99622	1.8
135.04411	9.7
135.08060	1.0
135.11707	0.8
136.08675	0.5
137.09494	0.6
144.09320	0.4
145.02829	100.0
145.30206	0.4
146.03157	2.9
147.04367	0.4
148.09940	1.1
148.62868	0.4
149.02301	1.1
149.05966	28.6
149.09612	0.7
149.94548	1.6
150.06499	0.8
150.10254	0.7
152.96867	0.6
153.96591	0.4
154.98961	0.5
155.11803	1.0
156.09140	0.5
158.06012	0.7
159.04358	1.2
159.07999	0.4
159.11652	0.7
160.08795	0.5
162.03131	2.8
163.03882	4.1
167.98909	0.4
177.05447	32.2
177.08815	2.0
177.11313	1.5
177.12680	1.8
177.13997	2.9
177.16254	0.4
178.05750	1.1
186.05486	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	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03955	0.6
55.01880	0.3
55.78918	0.3
56.96552	1.1
62.43172	0.4
63.02378	1.4
69.03391	0.4
69.07039	0.5
71.34769	0.6
78.04713	2.9
79.05473	1.0
80.05077	0.4
89.03911	46.3
90.04242	0.9
91.05473	3.7
93.07048	1.1
94.60227	0.4
95.04964	1.2
95.06070	0.4
95.08618	0.4
98.97572	1.3
98.98483	0.8
103.05433	2.2
104.94914	0.4
105.03403	0.4
106.04177	2.8
107.05001	0.6
107.08585	0.7
116.98615	1.0
117.03370	75.1
118.03684	2.0
118.96774	0.6
119.01992	0.4
119.04936	0.4
121.06488	1.2
124.05175	1.1
129.04417	0.5
131.04900	1.4
131.08482	0.7
133.06479	0.7
133.10057	0.4
134.03619	10.1
134.07108	0.4
134.09625	1.8
134.95877	0.6
134.99629	0.9
135.04416	9.6
135.08040	0.4
135.96564	0.5
145.02834	100.0
146.03160	3.4
147.04381	0.4
149.02281	0.9
149.05965	26.3
149.94569	1.0
150.06407	0.8
152.96922	0.5
159.04376	0.6
162.03098	2.9
163.03885	3.6
168.07243	0.4
177.05458	28.0
177.12679	0.5
178.05806	0.5
178.08502	0.4
178.12227	3.2
184.80046	0.4
186.05499	1.6
194.54637	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.107
Annotation	4-Methoxymethyl-2-methylindole
Peak:m/z	Relative Intensity
50.53141	0.5
52.88437	0.5
53.03931	1.4
54.57044	0.4
55.01862	1.6
55.05496	1.7
56.05029	3.7
56.70069	0.5
56.96565	2.9
57.03428	0.9
57.93537	0.6
58.02990	0.7
58.06595	1.4
59.06100	0.7
60.05629	2.0
61.05343	0.6
61.05973	0.6
65.03926	2.1
67.04234	1.0
67.05493	0.9
68.05025	0.5
69.03410	0.8
70.06590	7.3
70.98212	0.8
70.98584	1.2
71.04988	1.0
71.06928	6.0
72.08157	2.5
72.74980	0.6
72.93772	0.6
77.52534	0.5
78.04706	0.6
79.05486	4.5
80.04999	1.4
81.03400	1.0
81.07023	1.4
82.06578	28.9
83.07355	1.1
85.04024	1.2
86.06059	0.9
86.09673	0.6
88.07585	0.7
89.03911	3.6
91.05478	16.6
92.05792	1.0
93.07056	3.2
94.06581	0.9
95.04947	2.1
95.06063	0.7
95.08598	1.2
97.06455	0.5
98.97533	0.6
98.98465	13.3
103.05477	6.4
105.03386	0.6
105.07028	15.8
106.06535	2.9
106.07288	1.1
107.04954	22.3
107.08546	1.0
108.05225	0.7
110.07872	1.8
113.07135	1.0
115.05450	7.7
116.06296	3.7
116.07021	1.1
116.97206	2.5
116.98593	1.0
117.03369	5.3
117.06955	5.1
118.06557	5.8
118.07304	0.8
119.04946	5.2
119.08575	2.5
120.04456	7.6
120.05241	0.7
120.05740	1.1
120.08084	4.5
120.08875	1.0
121.02905	3.6
121.03671	0.7
121.06489	5.7
121.10161	0.8
122.06048	0.6
129.07050	2.8
130.06525	21.6
130.07358	1.5
131.04932	11.7
131.06885	2.0
131.08568	31.8
132.04442	2.1
132.05357	0.7
132.08051	1.3
132.08943	1.2
133.05214	3.6
133.06470	21.6
133.08838	5.5
134.03622	0.6
134.06013	10.5
134.06929	0.8
134.10452	0.9
134.99654	1.8
135.04401	3.1
135.06662	1.5
135.08043	1.9
141.06992	12.1
143.07280	0.7
144.05696	24.3
145.02873	5.7
145.06039	1.0
146.05992	2.5
146.09653	4.4
147.04390	0.6
147.06755	4.1
147.08011	2.2
148.03912	2.1
148.07530	6.9
148.08499	1.0
148.11151	0.6
149.02277	0.7
149.06003	5.1
150.06541	0.6
152.96957	0.9
158.05946	5.3
158.09567	1.0
159.04498	2.5
159.08055	44.2
160.07559	2.3
161.04655	11.6
161.08315	3.8
169.07603	6.4
174.09126	1.1
176.03535	1.6
176.07053	43.9
176.10695	100.0
176.14215	2.3
177.05367	4.1
177.06381	0.5
177.07658	1.3
177.08925	2.9
177.11142	3.5
177.12573	1.0
177.16339	0.7
187.67126	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	1.7
56.96561	3.2
57.93546	2.6
59.06105	1.9
64.25698	0.7
67.05504	0.8
69.50378	1.8
69.50809	4.2
71.95219	0.8
72.08529	0.7
75.94572	2.4
77.00900	0.8
81.04530	0.7
86.71583	0.8
91.05460	1.0
98.00901	0.8
98.96183	1.1
98.97576	9.4
98.98248	1.1
98.98442	0.9
100.02454	1.1
101.00854	2.3
101.02569	0.7
103.00637	0.9
104.02489	1.3
107.05954	0.6
115.02412	0.7
116.01944	10.9
116.97234	13.5
116.98595	14.9
117.03365	1.2
118.03508	8.5
119.01908	22.5
119.03672	0.9
120.02002	6.0
121.01651	6.4
122.03586	1.1
123.03204	0.8
130.03494	1.5
131.01846	5.2
131.99503	2.8
134.02962	100.0
134.95753	1.0
134.99643	20.3
135.03290	3.6
135.53474	0.7
136.02625	0.8
136.04520	3.9
137.01961	1.0
137.02953	15.1
137.03925	0.9
138.03023	2.5
139.02675	2.6
142.03467	1.3
145.02783	1.2
146.03569	1.2
148.04552	1.3
148.96162	1.0
149.02995	1.1
152.02141	1.9
152.03998	22.7
152.05865	1.2
152.96843	4.6
153.00708	6.1
153.04076	0.9
154.03526	1.7
157.04561	3.0
158.01176	0.8
158.01649	0.8
158.02969	7.1
158.04208	0.8
158.04797	0.8
158.05922	0.8
160.04492	1.4
170.03207	1.0
170.97964	1.3
171.01357	13.5
171.04967	1.4
171.06221	0.9
172.01549	1.0
172.04517	0.8
175.98511	4.7
176.04092	19.5
176.05849	3.4
177.00928	2.3
177.04034	1.5
177.05469	1.1
189.02402	4.5
194.03247	1.3
194.05104	5.7
194.06813	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.01866	2.6
55.05493	4.1
56.05021	4.7
56.96565	8.2
57.03435	1.7
57.93547	1.6
58.06587	2.6
59.06104	1.3
60.05647	6.4
61.05956	1.2
65.03926	2.3
67.04242	1.2
67.05493	2.2
69.03433	2.5
69.07053	2.3
70.06596	17.2
71.06929	12.8
72.08142	5.0
79.05499	6.1
80.05014	2.2
81.03404	2.1
81.04513	2.9
81.07047	1.5
82.06123	2.1
82.06580	30.1
84.08140	1.4
85.02898	1.9
85.04015	2.4
89.03894	4.2
91.05486	16.7
93.07022	4.6
94.06572	1.4
95.04951	4.2
95.06094	1.7
95.08614	1.7
97.02903	1.8
97.06404	1.1
98.97612	5.7
98.98467	23.2
103.05473	8.5
104.04942	1.5
105.06384	1.9
105.07034	19.8
106.06542	2.0
107.04957	31.3
107.06043	1.4
107.08602	2.6
112.11279	1.3
113.07133	1.6
115.05449	8.8
116.06215	4.9
116.07045	2.3
116.97224	2.8
116.98622	7.2
116.99407	1.9
117.03362	8.1
117.07500	2.3
118.06523	3.2
119.04953	6.2
119.08549	1.3
120.04472	11.7
120.05376	1.3
120.08092	10.3
120.08879	1.9
121.02874	1.8
121.04026	1.0
121.06535	5.7
121.07494	0.9
121.10119	3.5
124.29917	1.1
129.06966	3.6
130.06522	22.4
130.07410	1.5
131.04916	15.1
131.06897	2.8
131.08563	37.3
131.10094	1.8
132.04451	2.5
132.08936	1.3
133.05240	4.1
133.06493	34.1
133.10103	1.4
134.03680	1.4
134.05972	3.8
134.06929	1.9
134.99655	8.3
135.04431	1.1
135.06683	2.3
135.07991	1.8
135.11647	1.3
136.07500	1.6
136.08664	1.2
141.06996	14.7
144.05698	28.9
145.02818	6.9
146.05972	3.4
147.06850	5.0
147.07944	1.6
148.03929	3.1
148.07562	7.9
149.02362	1.8
149.05957	4.5
149.08209	1.9
149.09596	1.7
149.94559	4.3
150.96907	1.5
152.96906	3.4
153.00658	2.0
158.05957	6.3
158.09546	1.5
159.04404	4.8
159.08060	52.2
159.09326	2.0
160.07471	1.9
160.08722	1.2
161.04721	22.5
161.06035	1.6
161.08334	5.6
169.07545	5.8
174.09044	2.9
176.03407	3.1
176.05524	1.8
176.07068	40.8
176.10695	100.0
176.11958	3.8
176.14310	3.3
177.00758	1.4
177.05455	10.2
177.07722	2.1
177.09114	2.7
177.11081	4.5
177.12656	2.1
181.01671	2.1
186.05544	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.1
55.05495	4.7
55.17990	1.0
57.50660	1.1
67.05186	1.1
67.05509	15.8
69.07061	2.7
70.06590	2.3
70.64502	3.4
79.05065	2.0
79.05496	27.2
81.06589	2.5
81.07056	40.2
83.08595	1.2
91.05482	38.0
93.07047	41.5
93.07632	2.4
94.07333	1.4
95.04975	2.3
95.08612	31.2
98.98470	46.4
105.07036	28.9
106.07378	1.3
107.05003	0.9
107.08590	13.6
108.77083	1.1
109.10126	4.1
109.73489	1.0
116.99485	2.8
119.08581	34.3
121.10149	6.8
130.06610	1.5
131.08575	6.0
133.05267	2.3
133.09123	2.0
133.10132	40.8
145.10136	1.4
147.11674	14.9
157.04292	1.8
161.04721	8.5
172.45534	1.1
173.13286	3.6
175.07455	1.3
175.11432	2.1
175.14825	100.0
176.07065	13.4
176.15131	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	176.0107
Annotation	Unknow
Peak:m/z	Relative Intensity
64.71339	0.9
70.62704	1.2
70.63058	3.0
85.69184	1.0
87.47640	1.0
110.65571	1.1
132.02098	100.0
142.69762	1.1
150.03188	1.3
152.20953	1.0
163.53485	1.0
170.38820	1.1
176.01082	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	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03936	0.7
54.89098	0.5
55.01863	0.6
55.05505	9.2
56.96562	6.9
57.07059	0.8
60.05641	1.6
67.05177	0.5
67.05490	3.1
69.03428	0.6
69.07065	23.0
69.66609	3.2
70.06580	4.8
71.04990	4.0
72.93790	1.3
73.02900	0.5
73.06541	1.2
74.70667	0.5
74.97587	1.2
77.48203	0.5
79.05489	3.6
81.03397	1.1
81.07062	6.8
83.08612	5.6
90.94823	0.6
91.05476	14.0
92.90083	0.9
93.07037	4.5
95.04962	1.3
95.08598	6.6
98.97575	6.8
98.98462	3.8
99.04449	9.6
103.05466	0.9
105.07026	28.8
107.04936	5.1
107.08589	6.1
112.07637	0.6
115.05438	0.8
116.07067	1.3
116.97222	1.9
116.98602	6.3
117.05511	1.6
117.07007	3.6
118.07835	0.5
119.04937	1.1
119.08573	95.6
120.08865	2.8
121.06480	0.5
121.10115	3.4
127.33809	0.5
128.98656	0.7
129.06987	2.3
130.06557	1.1
130.09711	0.6
131.08557	5.6
132.95825	2.1
132.96893	0.7
133.10123	80.9
134.10422	2.6
134.99658	5.2
135.08006	0.6
135.11649	0.6
142.07730	0.7
145.10095	7.9
146.10869	1.1
147.04446	1.2
147.08086	1.2
147.11671	12.2
147.56250	0.5
148.11137	0.7
150.96921	2.8
150.98000	0.9
150.99130	2.1
151.97131	0.6
152.96889	0.7
153.00644	0.8
157.04950	0.5
157.10130	1.7
159.11746	1.0
160.05194	1.1
160.08817	1.2
160.12448	4.4
169.00233	1.1
173.13290	2.8
174.97137	2.1
175.03899	0.8
175.06244	0.6
175.07480	2.6
175.11302	5.5
175.14813	100.0
176.15320	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	175.119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52429	0.3
56.96558	0.7
57.68430	0.2
60.05645	33.6
64.52184	0.3
68.05021	0.3
69.03436	0.3
69.96428	1.6
70.06587	100.0
71.04982	1.2
71.06921	1.0
72.08151	5.5
84.08144	0.8
88.07620	0.8
97.07658	0.7
98.06052	1.0
98.97585	0.8
98.98454	0.4
112.08721	3.9
114.10239	0.7
115.08691	0.9
116.07085	22.8
116.98629	0.7
117.07482	0.5
121.01629	0.3
130.09756	11.2
130.10744	0.6
134.99678	0.4
140.67368	0.3
141.06615	0.3
153.72148	0.3
157.10820	0.9
158.09248	5.5
175.11902	15.2
189.03568	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
50.53115	0.5
55.05506	5.6
57.07070	1.2
67.05508	1.8
69.03442	0.5
69.07063	12.2
70.54578	1.9
71.29321	0.5
75.62862	0.5
77.31963	0.5
78.48106	0.4
79.05484	2.7
81.07045	5.4
83.08604	2.3
91.05472	9.4
93.07035	3.2
95.08605	3.2
98.98453	3.1
103.05409	0.8
105.07026	23.0
106.07356	0.6
107.08585	4.9
115.05466	0.8
117.06995	3.9
119.08573	69.5
120.08883	1.3
121.10132	2.0
122.21474	0.5
129.07007	1.1
131.08574	4.9
132.09389	0.7
132.41342	0.5
133.10121	69.3
134.10477	1.6
142.07751	1.2
144.09322	1.4
145.10110	14.2
146.10800	1.1
147.11676	28.2
148.12003	1.4
157.10114	1.6
159.11674	5.5
160.12485	10.3
161.13159	1.5
173.13222	1.6
175.11198	3.0
175.14812	100.0
176.15147	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	175.119
Annotation	L-Arginine
Peak:m/z	Relative Intensity
51.40295	0.3
54.77542	0.3
60.05650	33.4
64.25764	0.3
70.06593	100.0
70.67542	0.7
70.67883	0.3
71.04990	2.0
71.06921	1.2
72.08156	3.3
79.12713	0.4
84.08135	0.7
88.07620	0.6
96.09434	0.3
97.07661	0.9
98.06062	0.3
107.46088	0.3
112.08738	4.0
113.07137	0.5
114.10299	0.8
115.08691	0.6
116.07095	24.3
117.07388	0.4
124.59560	0.3
130.09763	11.0
132.02094	0.4
157.10889	0.9
158.09242	5.2
175.11902	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31991	0.2
53.55571	0.2
56.96556	0.7
60.05643	36.5
65.07919	0.2
65.13240	0.2
68.05021	0.3
70.06586	100.0
71.04987	1.7
71.06915	1.0
71.35629	0.6
72.08152	3.9
84.08128	1.7
86.36061	0.2
88.07608	0.3
97.07623	0.7
98.06027	0.4
98.97579	0.5
103.23206	0.2
109.80932	0.3
112.08714	4.6
113.07154	0.5
114.10298	0.8
115.08678	1.0
116.07082	28.8
116.98583	0.6
117.07370	0.3
119.01930	0.7
130.08687	0.7
130.09747	12.1
133.03461	0.6
134.99663	0.4
141.94058	0.2
151.04483	0.3
157.10812	1.3
158.09232	8.0
161.83504	0.2
172.98514	0.2
175.04562	0.7
175.11888	22.0
176.12178	0.3
185.09384	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1117
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.03941	1.8
55.01854	3.8
55.05516	4.5
56.96549	3.4
57.03420	3.2
60.05389	0.9
60.05647	8.0
65.03928	1.8
67.05170	1.2
67.05499	12.1
69.03414	1.2
69.07066	7.3
70.06593	20.5
70.20181	1.9
70.20566	1.4
71.04976	1.1
72.08127	1.5
79.05011	1.2
79.05489	23.2
79.53241	0.9
81.03396	3.4
81.07050	18.5
81.79186	0.8
83.04961	2.4
91.05480	96.3
92.05805	3.0
92.90031	1.2
93.07044	15.8
95.04956	6.7
95.08614	8.6
97.02893	1.3
97.06504	1.9
98.20805	0.9
98.98465	100.0
103.05449	1.5
105.03380	3.7
105.07030	42.2
106.07327	1.1
107.04961	10.8
107.08595	4.5
109.06489	2.4
109.10153	1.1
115.05438	3.7
116.06290	1.7
116.07074	5.9
116.97246	1.0
116.99500	5.8
117.07021	5.8
119.08581	39.4
121.06464	2.0
121.10125	2.1
128.06245	2.2
129.07004	27.0
130.06491	3.1
130.09732	2.4
131.08557	22.2
133.05354	1.1
133.06477	7.2
133.10124	29.5
134.05978	1.3
140.01009	1.1
141.06982	1.4
142.07782	9.8
143.05411	1.1
145.10117	2.5
146.07222	1.2
147.04401	1.6
147.08026	4.9
147.11681	14.8
151.93922	1.7
157.04208	1.5
157.10123	23.1
158.10478	1.2
161.04716	5.5
175.03897	1.4
175.07317	4.8
175.11168	50.9
175.14816	30.8
176.07062	10.3
176.11481	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	175.1118
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
50.36080	0.8
51.02370	0.9
51.46371	0.6
53.03936	1.3
55.01858	3.2
55.05492	2.9
56.05019	0.8
56.94283	1.0
56.96566	6.4
57.03415	2.2
59.11749	0.6
60.05640	6.5
63.79090	0.8
65.03922	2.0
67.05501	10.1
69.03413	2.2
69.07056	3.7
70.06587	24.6
71.04984	1.5
71.59856	1.0
72.08150	1.1
72.93781	4.3
73.93800	0.7
79.05486	12.6
81.03392	3.0
81.07053	13.6
83.04953	2.1
85.02879	0.8
87.04446	1.8
90.94804	2.7
91.05476	46.8
92.05784	0.7
92.90072	2.9
93.03411	1.4
93.07050	6.4
95.04978	5.7
95.06055	0.9
95.08598	3.2
97.02882	1.3
97.06519	0.7
98.97554	1.7
98.98457	16.7
103.05454	3.1
104.06251	1.5
104.35955	0.7
104.96354	0.8
105.03389	0.9
105.07024	44.2
106.07340	1.3
107.04951	6.7
107.08569	3.3
108.95855	1.5
109.06469	1.8
112.07571	3.9
112.08682	0.8
115.03912	1.5
115.05447	6.3
116.06297	1.6
116.07073	5.7
116.97198	2.6
116.98555	2.7
117.06995	10.8
119.04911	3.6
119.08572	46.0
120.04437	1.4
120.05624	1.0
120.08870	1.2
121.06471	1.7
123.08052	1.4
127.71790	0.7
128.06197	4.7
129.06984	26.8
130.06512	9.8
130.07365	1.3
130.09747	1.5
131.04930	1.9
131.08568	24.1
131.97420	1.1
132.04436	5.3
132.05708	4.4
132.95810	3.9
132.96947	2.7
133.06490	25.9
133.10115	27.6
134.06068	0.8
134.07198	3.6
134.99619	3.3
135.07928	2.0
139.03857	0.8
141.06956	1.1
142.07756	8.2
143.08209	0.8
145.06473	3.0
145.10107	9.0
146.05997	1.0
146.07225	1.1
146.99695	0.9
147.04431	3.3
147.08032	43.3
147.11676	19.5
148.08524	1.6
150.96855	6.6
150.98012	2.4
150.99094	0.9
151.93735	3.0
151.97098	2.2
152.96899	1.2
153.00623	0.9
155.06024	0.9
157.06448	4.0
157.07628	3.1
157.10094	16.7
158.05992	7.6
158.09232	1.1
160.05199	4.9
160.08775	3.1
173.09622	2.9
175.03862	1.6
175.07422	11.1
175.08667	4.8
175.11151	100.0
175.14734	13.4
176.07047	2.5
176.11536	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	175.1117
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.03941	1.7
55.01871	9.6
55.05506	5.7
56.96561	15.7
57.03424	3.0
57.93558	0.7
59.05020	0.7
60.05642	2.1
65.03939	2.4
67.05498	14.5
69.03435	2.0
69.07063	8.3
69.36304	6.7
70.06581	3.6
71.04986	0.9
72.08150	1.6
79.05486	20.6
81.03416	7.4
81.06577	1.2
81.07051	19.1
83.04964	3.4
83.08620	2.8
85.02912	0.7
91.05475	97.2
92.05811	2.0
92.90027	0.9
93.07041	10.7
95.04960	9.1
95.08592	3.6
97.02879	1.8
97.06528	3.0
98.20673	1.4
98.98460	14.8
103.02310	1.9
103.05460	2.3
105.03395	1.6
105.07022	47.2
106.07346	1.2
107.04945	12.9
107.08585	4.1
109.06508	2.3
114.53150	1.1
115.05440	7.5
116.06266	3.8
116.59434	1.0
116.97228	3.4
116.98599	0.9
117.07002	6.8
118.07831	0.7
119.04926	2.2
119.08575	49.9
120.08944	0.8
121.06511	3.9
121.10189	1.1
122.03074	0.9
128.06194	3.6
129.06999	36.6
130.06526	1.9
131.08562	35.7
132.04443	1.1
132.05681	2.1
132.08943	0.9
133.06471	11.3
133.10117	34.2
134.04959	1.2
134.07217	1.5
135.07970	0.9
141.06947	1.5
142.07777	13.8
143.05424	5.6
145.01736	0.8
145.06476	2.9
145.10114	4.7
146.07207	1.1
147.04411	1.8
147.08043	10.0
147.11682	20.6
148.08632	1.5
150.96889	1.1
151.93929	3.1
152.05907	4.0
154.56139	1.4
157.01700	1.1
157.04237	1.2
157.10117	45.0
158.10461	1.5
160.05222	2.0
160.08797	1.6
169.94971	0.8
175.02734	2.0
175.07603	8.3
175.11168	100.0
175.14778	19.7
176.11581	4.2
189.13947	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0866
Annotation	(Indol-3-yl)acetamide
Peak:m/z	Relative Intensity
56.05023	0.4
56.13978	0.4
56.96557	0.6
57.03423	0.6
60.05647	7.4
62.90927	0.4
63.70981	0.4
70.06594	23.3
70.71325	0.5
70.71683	1.5
72.08150	0.8
72.93782	1.3
79.05508	0.5
80.05015	2.7
82.02940	3.0
83.65237	0.5
87.04436	0.4
89.34035	0.5
91.05473	1.8
94.06567	3.6
98.98467	23.0
100.04025	0.6
103.05447	4.0
104.04988	2.6
104.96394	0.5
105.07065	1.0
106.06526	0.6
108.04485	2.4
115.05451	1.6
116.07083	5.3
116.97224	0.7
116.98679	0.6
116.99477	1.0
118.06548	1.7
119.08584	2.3
120.04488	0.5
120.08112	0.9
128.04938	0.8
130.06529	100.0
130.09717	2.5
131.04941	5.5
131.06833	2.7
132.04454	61.0
132.95825	1.5
133.05153	2.1
133.10138	1.0
134.06004	1.9
134.35907	0.5
140.04924	0.6
146.06009	7.1
147.06328	3.3
147.09171	2.6
148.07578	10.3
150.96889	1.9
150.97986	0.6
151.97112	0.6
156.06825	1.6
157.06569	0.3
157.07616	26.4
158.06018	78.5
159.06340	3.1
160.08920	0.6
161.04729	1.9
175.05966	2.1
175.08679	30.0
175.11055	1.2
175.11986	1.7
175.14706	0.8
176.03372	0.7
176.07079	8.1
176.08923	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0754
Annotation	1,8-Dihydroxy-3-methylnaphthalene
Peak:m/z	Relative Intensity
52.74414	0.5
55.01875	2.0
56.96561	0.6
58.06617	0.6
60.05649	16.8
69.07072	0.8
69.33648	4.7
70.06593	51.8
71.05000	1.1
71.06933	0.9
71.77355	0.5
72.08144	3.0
72.93793	0.9
79.05515	2.3
81.07079	1.6
81.69562	0.4
82.06588	0.6
84.08148	0.7
86.06046	0.6
90.94839	0.8
91.05480	19.3
92.05817	0.9
93.07046	0.6
95.04966	1.0
98.98469	40.3
101.81326	0.4
103.05469	2.9
104.06266	0.8
105.07037	4.1
107.04948	5.0
107.08602	0.9
112.08739	1.7
115.05455	1.5
116.06228	0.8
116.07087	13.9
116.97289	0.5
116.99503	1.6
117.07023	5.2
119.04920	0.6
119.08581	25.1
121.00161	0.5
124.20412	0.6
127.05357	0.6
128.06227	26.4
129.07007	100.0
130.06506	2.7
130.07352	4.4
130.09752	5.6
131.04947	2.5
131.08551	1.0
132.04684	0.8
132.05699	6.1
132.95847	1.3
132.96909	0.7
133.05280	1.2
133.06526	1.1
133.10130	3.4
135.07951	1.1
142.07770	0.8
145.06491	8.7
146.07251	1.6
147.08046	94.8
148.03964	0.6
148.08472	3.5
150.96869	1.5
155.06039	3.2
157.06490	42.2
158.06871	1.6
158.09212	3.5
160.05191	1.4
161.04716	7.4
173.37465	0.5
175.07544	70.5
175.12054	6.7
175.14743	2.9
176.06924	9.4
188.79973	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0754
Annotation	1,8-Dihydroxy-3-methylnaphthalene
Peak:m/z	Relative Intensity
55.01876	2.4
56.96564	9.1
60.05648	8.4
67.05521	0.7
69.03439	0.6
69.48093	4.7
70.06592	25.0
71.05019	0.8
71.65632	0.5
78.41993	0.5
79.05502	2.5
81.07047	1.4
91.05483	20.4
92.05798	0.6
93.07084	0.7
95.05008	0.9
95.08617	1.1
98.98467	25.0
98.99123	1.2
103.05465	3.1
105.07023	4.0
106.39793	0.6
107.04952	7.9
112.08764	0.7
113.51523	0.5
115.05483	0.9
116.07093	5.2
116.99451	0.6
117.07021	5.5
119.04957	0.7
119.08581	21.6
119.09464	1.0
120.08124	0.7
120.08941	0.8
128.06221	28.5
129.07007	99.6
130.06493	1.4
130.07370	3.1
130.09767	3.3
131.04926	5.2
131.08524	1.5
132.05725	4.4
133.06432	1.5
133.10132	2.4
135.08022	0.7
145.06474	7.8
146.07228	1.5
147.08044	100.0
148.08435	4.0
150.03297	2.0
155.06038	3.4
157.06491	42.8
158.06825	2.2
158.09196	1.3
159.03874	2.1
160.05148	1.0
161.04745	1.1
164.04883	3.6
165.52429	0.9
173.05391	3.6
175.07542	64.7
175.11864	2.5
175.14746	1.3
176.06831	1.2
176.07967	1.7
184.56213	0.9
194.14859	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
55.01865	2.8
55.05504	17.4
55.93539	1.7
56.04811	0.6
56.05025	2.7
56.05861	1.1
56.94305	3.7
56.96563	3.9
57.03432	3.8
57.07086	2.5
59.05006	0.7
59.06136	1.1
60.04530	0.8
60.05648	1.0
67.05490	4.4
68.05038	1.0
69.03442	1.2
69.07064	33.5
69.63816	1.3
69.64220	3.0
70.06587	5.4
70.95856	19.2
71.04987	0.7
72.08163	1.5
72.93784	26.5
73.02910	0.6
73.06561	1.3
73.93858	1.6
79.05487	6.4
81.07052	9.2
82.06556	2.7
83.04970	5.5
83.08624	0.9
84.04518	1.3
84.05309	0.7
86.06082	1.3
86.09714	0.8
87.04494	1.6
88.96892	6.3
90.94819	18.5
91.05480	6.7
91.94891	0.9
92.90095	2.1
93.07036	12.8
95.04977	1.1
95.08602	8.9
96.04497	1.2
97.02904	1.8
97.06520	5.7
97.10155	11.7
98.97550	0.9
98.98469	4.6
100.07610	0.7
101.06028	1.9
102.06384	1.5
102.94816	1.7
103.05462	1.7
104.96384	2.4
105.07024	3.9
107.04953	0.9
107.08604	0.7
108.95845	6.1
111.04481	1.2
111.11722	2.7
111.98473	12.3
112.04795	1.8
112.47988	0.8
113.96401	3.9
114.05537	1.5
114.94775	1.3
115.03955	1.0
115.11222	0.9
116.07079	1.6
116.96369	0.8
116.98605	1.4
117.07043	0.6
118.06535	3.3
119.04939	1.5
119.08562	10.6
121.10125	8.3
122.97398	2.0
128.04980	1.2
128.07062	4.1
129.06998	1.2
129.99513	9.4
130.05754	0.9
130.07387	0.7
130.67186	0.6
131.04887	0.8
131.08562	1.1
131.96164	2.2
131.97432	8.6
132.06606	0.8
132.08044	0.8
132.95827	52.1
132.96881	1.8
133.06511	1.0
133.10121	8.0
134.97429	1.4
134.99638	1.5
135.07910	0.8
138.12733	2.0
139.11154	4.2
142.07794	0.6
144.08922	0.7
145.06514	0.6
145.10056	0.7
146.06023	8.0
146.08058	1.7
146.97437	0.7
147.04391	1.7
147.08026	1.5
147.11649	1.6
149.96082	1.5
149.97264	0.9
149.98459	7.4
150.00772	1.6
150.96878	100.0
150.97900	3.5
151.93771	1.7
151.97104	2.5
155.97394	12.7
156.07414	1.6
156.13824	85.6
157.06479	0.6
157.10089	0.7
157.14214	2.8
158.06012	0.8
159.06760	0.8
159.11375	0.8
167.97148	2.8
168.97972	3.9
173.98482	20.3
174.05481	5.1
174.07567	2.2
174.08932	1.7
174.12674	1.7
174.13670	0.9
174.14874	23.4
174.96887	1.9
174.98750	1.1
175.03914	1.2
175.06140	0.7
175.07495	1.3
175.09937	0.6
175.11073	2.6
175.14816	10.7
191.99437	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03922	1.0
55.01834	0.9
55.05506	35.7
55.93500	3.5
56.96560	5.6
57.03423	2.5
59.04993	6.1
60.04502	1.4
62.03160	0.8
67.05499	5.0
68.99780	0.8
69.03422	2.3
69.07052	1.3
69.96142	1.0
70.06570	1.5
70.95856	11.5
71.08617	0.9
71.35155	0.7
71.92986	1.3
72.93781	72.0
73.02909	1.1
79.05465	2.1
81.07062	4.0
82.06564	1.7
83.04973	35.0
84.04475	1.5
85.06528	1.0
86.06047	0.9
86.09682	1.0
87.04439	2.9
87.05608	0.9
88.96900	4.1
89.02382	2.9
89.94027	1.9
90.90372	21.9
90.94818	53.3
91.05468	9.8
93.07027	1.4
95.04994	1.1
95.08603	2.0
97.02895	0.8
98.21496	2.3
98.97541	1.4
99.04423	2.1
100.07611	0.8
101.05365	1.7
101.06011	25.1
105.07014	8.4
106.97957	1.1
107.08607	1.1
107.95093	1.2
108.91388	1.4
108.95857	23.9
110.53709	0.8
111.03691	1.6
111.04434	29.8
111.98454	8.6
113.06002	3.9
113.07098	2.1
113.96405	9.6
114.05522	1.3
115.05444	3.1
116.06263	1.1
116.98627	1.5
117.07033	7.3
118.06570	4.0
119.08580	11.8
124.45853	0.8
125.96046	2.8
127.07569	4.0
127.08536	0.8
128.06187	2.2
128.07083	2.9
129.05475	18.7
129.06964	9.1
129.99513	5.8
130.07747	2.2
131.08557	47.8
131.92986	3.2
131.96442	0.8
131.97414	11.1
132.08928	1.0
132.95816	17.6
133.06317	0.8
133.10121	2.7
134.99608	1.7
142.07739	1.1
143.08543	21.2
144.09375	6.0
145.06461	3.3
145.07495	1.0
145.10109	25.5
146.05988	2.6
146.08083	1.7
149.01215	1.6
149.94054	19.4
149.96063	15.7
149.97188	4.4
149.98480	5.3
150.00630	1.0
150.96877	44.1
154.98973	1.2
155.07024	26.2
155.08177	1.0
155.97394	7.0
156.09322	1.2
156.11305	1.4
157.10007	1.0
158.07260	1.2
158.10896	40.4
167.95107	4.3
167.97127	24.7
167.98438	1.6
168.97919	2.5
171.11661	2.5
172.95549	0.9
172.97729	1.3
173.02299	2.2
173.05878	3.1
173.08141	31.2
173.09622	3.3
173.13245	100.0
173.98465	12.9
174.05440	1.7
174.07602	1.4
174.13567	2.8
190.98709	1.3
191.99445	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.076
Annotation	(2S,5S)-trans-Carboxymethylproline
Peak:m/z	Relative Intensity
53.03926	0.4
53.12825	0.2
55.01859	0.6
55.05502	8.2
56.05029	0.7
56.05849	0.3
56.96555	1.8
57.03432	1.4
60.04505	0.4
60.05643	5.4
61.02919	0.4
62.00058	0.2
68.05009	0.3
68.79521	0.2
69.03419	0.7
69.80629	1.7
70.06585	24.9
70.95864	0.3
71.04982	0.8
72.04498	0.5
72.08144	0.9
72.93786	0.3
73.02899	1.3
74.97607	0.4
82.06570	44.1
83.04992	0.4
83.06928	0.5
84.04503	0.6
84.05307	0.4
84.08134	0.6
85.02902	1.1
86.06062	1.3
87.04457	1.2
88.07623	0.3
90.94808	0.5
91.05436	0.3
92.02708	0.3
95.04985	0.3
96.04482	0.5
97.02876	1.1
98.06072	0.4
98.97568	1.4
98.98455	0.7
99.04450	0.4
100.07603	2.7
101.00899	0.5
102.05575	0.4
103.02438	0.4
110.06038	0.4
111.02942	0.3
111.98502	0.3
112.07598	5.2
112.08418	0.4
112.08732	0.6
114.05515	1.9
115.03981	0.5
115.08682	0.4
116.07079	4.9
116.07828	0.5
116.98602	1.1
118.06501	0.3
119.01900	2.6
120.02020	0.4
121.01649	0.4
121.03436	0.4
128.07063	100.0
129.07451	1.6
129.10191	0.4
130.08830	0.4
130.09756	1.9
131.01912	0.8
132.06520	0.3
132.08125	0.3
132.95824	0.7
133.03496	1.2
134.99626	1.1
137.02968	0.8
143.01871	0.3
145.03426	0.6
146.08141	0.3
149.97310	0.3
150.00764	0.5
150.96883	1.8
150.97902	0.3
150.99135	0.3
151.04472	0.6
156.10254	0.6
157.03470	0.4
157.10789	0.3
158.09273	0.8
161.02940	1.0
163.04547	0.4
167.01947	0.4
173.03024	0.6
173.98409	0.3
174.07565	5.0
174.08975	0.3
174.11279	0.5
174.12697	0.7
175.04543	0.9
175.10651	0.3
175.11937	2.8
185.02992	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25871	0.4
55.05508	0.9
56.96557	0.4
57.03416	1.6
57.06789	0.7
57.07073	27.0
62.00672	28.9
62.47473	0.4
63.33375	0.4
65.73157	0.4
68.05006	0.6
69.07078	0.5
70.65968	0.9
76.02225	3.9
79.94909	0.4
81.07037	0.6
84.04491	0.6
84.05274	0.6
86.09712	2.0
86.10155	0.5
90.03770	4.2
91.05455	0.8
91.90341	0.5
92.05791	0.6
96.04485	0.8
97.02866	1.2
98.98454	1.7
105.07017	1.1
106.06548	0.4
114.05508	0.8
114.06264	0.4
115.03895	0.6
118.06872	49.6
119.08549	1.6
120.08900	0.7
128.07097	0.6
131.08549	1.3
132.06572	0.5
132.08345	11.9
133.10109	1.6
136.19226	0.4
144.08897	1.0
145.09782	0.5
146.08109	0.7
146.10454	1.4
150.96866	0.8
151.93983	1.0
159.11288	1.6
165.49835	0.4
174.13109	100.0
175.07481	0.5
175.11195	0.9
175.13451	1.8
175.14867	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1324
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03946	0.7
55.01872	0.7
55.05507	14.7
56.05850	0.6
56.96555	0.5
57.03437	1.3
57.07075	5.9
59.05001	2.9
62.00672	4.5
67.05503	4.2
69.03425	0.8
69.97610	0.5
70.18985	0.4
70.95862	0.6
72.93781	9.8
78.99311	0.4
79.05498	3.2
81.03419	0.6
81.06650	0.6
81.07045	3.6
83.04973	15.5
84.04504	0.5
86.06055	0.8
87.04462	0.8
89.02390	0.8
90.90379	23.3
90.94820	7.6
91.05476	18.2
91.90411	0.8
93.07044	1.9
95.04964	1.0
95.08610	0.9
97.02915	0.5
98.20762	1.0
98.98469	0.8
99.04451	1.2
101.06018	10.7
103.05460	1.4
105.07021	15.6
108.91434	2.0
108.95858	3.7
109.10099	0.5
111.04443	12.8
113.05990	2.1
113.96392	1.5
114.05528	0.7
115.04049	0.5
115.05441	2.8
116.06230	3.0
117.07016	12.1
117.70306	0.5
118.06886	5.7
119.08573	17.4
120.08891	0.6
126.92456	1.0
127.07529	2.3
128.06195	3.1
128.07065	0.7
129.04491	0.7
129.05490	11.0
129.06987	15.9
130.06558	0.6
130.07768	4.5
131.08560	88.8
131.92973	3.6
131.97453	1.7
132.08282	1.4
132.09012	0.8
133.10146	3.6
142.07765	1.0
143.08556	28.6
144.09337	10.1
145.06444	1.5
145.07634	1.4
145.10118	41.8
146.06012	1.2
146.08101	0.5
146.10440	0.8
149.94043	21.7
149.96083	2.1
150.94278	0.7
150.96884	3.1
152.75980	0.5
155.07031	10.0
155.08308	0.6
156.09332	2.5
157.10130	1.9
158.07281	2.3
158.10904	33.9
159.11278	1.1
160.61613	0.6
167.95097	4.5
167.97168	4.1
171.11694	2.3
172.95686	3.6
173.05885	0.9
173.08113	14.6
173.09615	6.8
173.13252	100.0
174.05424	0.9
174.07634	1.2
174.13100	15.5
175.28687	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92922	0.5
51.67355	0.4
53.03941	0.9
55.01878	0.8
55.05510	21.8
56.05840	0.6
56.96561	4.0
57.03442	3.1
57.07080	0.8
59.05004	3.9
60.83464	0.4
61.21045	0.4
65.03934	1.0
67.05505	7.8
69.03417	1.1
69.07064	1.3
71.06104	0.9
71.08269	0.4
71.08632	1.8
71.59219	0.7
72.93781	2.8
73.02918	0.6
76.02231	1.9
79.05496	9.5
81.07057	7.1
83.04982	21.0
87.04457	2.0
89.02391	1.1
90.90394	1.5
90.94833	2.2
91.05482	31.5
92.05831	0.5
93.07044	5.3
95.04974	1.5
95.08601	4.0
96.04462	0.6
99.04440	0.8
99.08114	0.8
101.06016	13.4
103.03282	2.9
103.05480	1.3
105.07033	22.4
106.07378	0.5
107.08613	3.2
107.38817	0.4
108.95881	1.3
111.03704	0.9
111.04446	14.6
113.06000	1.9
114.05489	0.5
115.05424	4.7
116.06242	3.8
117.07022	28.9
118.06516	1.3
118.07305	0.6
119.08579	9.3
127.07572	2.9
128.06229	1.4
128.07086	0.7
129.05504	12.1
129.06996	14.9
130.07788	5.0
131.08569	100.0
132.08839	2.6
132.95839	0.5
133.10056	0.9
137.06009	0.7
143.08559	4.9
144.05659	0.6
144.09352	11.2
145.06477	1.9
145.10124	41.2
145.97392	0.5
146.05991	1.5
146.08176	0.8
146.10495	1.0
147.06572	0.7
149.94089	1.7
149.97235	0.6
150.96915	0.8
153.00868	0.5
155.07040	12.9
155.08356	0.6
157.06436	0.5
158.07251	1.8
158.10925	3.1
167.97180	1.2
171.11688	2.4
173.05960	0.7
173.08208	16.9
173.09743	2.4
173.13264	79.6
174.05513	1.9
174.07573	0.6
174.13786	2.6
189.04381	0.4
192.03378	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
51.02382	0.3
53.03937	0.7
55.05505	6.3
55.93520	0.3
56.96558	1.0
57.03426	0.8
57.07069	0.7
59.05001	1.1
60.53916	0.3
65.03931	0.7
67.05489	2.4
69.03432	0.3
71.08629	0.6
71.60324	0.5
71.60669	0.4
72.93782	6.1
79.05478	1.8
81.03384	0.4
81.07050	2.3
83.04970	5.6
87.04473	0.5
87.14233	0.3
89.02393	0.4
90.90372	16.6
90.94810	4.4
91.05471	11.5
91.90431	0.5
93.07015	0.7
95.08575	0.5
98.80663	0.3
99.04436	0.4
99.22694	0.3
101.06007	3.9
103.05443	0.5
105.07018	10.7
107.08590	0.3
108.91430	1.4
108.95865	1.8
111.04433	4.1
111.98476	0.4
113.05986	0.5
113.96404	0.8
115.05425	2.6
116.06230	2.0
117.06999	7.1
118.06557	0.6
119.08566	12.9
120.08933	0.5
121.61606	0.3
122.59287	0.3
126.10555	0.3
127.07550	1.1
128.06203	2.0
128.07048	0.4
129.05498	3.5
129.06987	9.7
130.07816	3.5
131.08553	82.5
131.92970	3.4
131.97424	0.8
132.08835	2.2
132.95808	0.8
133.10107	2.9
141.06866	0.4
142.07765	1.2
143.08543	24.0
144.09349	7.1
145.06462	0.8
145.10107	26.4
146.05995	0.5
146.10431	0.7
149.94031	17.9
149.96056	1.0
149.97150	0.4
150.94054	0.3
150.96819	1.8
155.05891	0.5
155.07025	3.4
155.08507	1.1
156.09319	1.3
157.10104	1.7
158.07233	1.4
158.10895	37.2
159.11617	2.3
167.95105	2.3
167.97157	2.1
171.11690	2.1
172.95656	1.3
173.08083	5.7
173.09628	4.9
173.13242	100.0
173.98500	0.6
174.07605	0.4
174.13638	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	173.1324
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
50.75526	0.7
53.03935	1.7
54.10476	0.7
55.01862	1.1
55.05506	26.4
55.93519	2.2
56.96328	0.9
56.96559	8.7
57.03414	2.1
57.07049	1.6
57.32643	0.7
59.04999	5.7
63.16498	0.8
65.03915	1.3
67.05499	7.7
69.03395	1.5
69.07047	1.0
69.30317	8.9
70.95845	3.4
72.93784	26.5
73.02905	1.3
78.63551	0.6
79.05477	4.3
81.03412	1.2
81.07061	5.6
83.04974	26.5
85.02902	1.0
85.06573	0.9
87.04451	2.5
88.96879	1.6
89.02381	2.1
90.90374	51.5
90.94816	21.2
91.05477	18.1
93.07014	3.2
95.04935	2.0
98.97587	1.0
99.04446	1.2
101.06006	19.0
101.25093	0.8
102.09205	1.8
103.03287	0.8
103.05457	1.7
103.09483	1.2
103.47489	0.9
105.03353	0.9
105.07016	18.1
105.43600	0.7
108.91412	4.1
108.95858	12.2
109.10084	1.1
111.04426	18.9
111.98449	2.6
112.48010	1.3
113.05991	3.0
113.96399	3.7
115.05431	2.3
116.06252	4.4
117.07003	10.4
118.06552	2.0
119.08572	13.4
125.96108	2.1
126.92417	1.2
127.07539	3.2
128.06168	3.8
129.05481	16.4
129.06989	11.6
129.99461	1.0
130.07788	5.1
131.00127	2.0
131.08559	92.9
131.92967	7.6
131.97427	5.2
132.08012	0.8
132.08899	2.0
132.95787	3.6
133.10114	2.8
134.99640	0.8
142.07730	1.4
143.08548	27.0
144.05659	0.8
144.09346	8.2
145.06447	3.5
145.07571	1.3
145.10109	38.5
145.55653	0.7
146.05977	1.8
146.08005	1.0
146.10449	1.3
149.01193	3.1
149.94037	46.3
149.96072	6.2
149.97192	1.6
149.98418	1.4
150.96867	12.9
151.11015	0.8
153.06984	1.4
155.07018	17.6
155.08507	3.4
155.97389	1.8
156.09325	1.6
157.10075	2.1
158.07306	8.0
158.10902	36.6
159.08011	1.6
159.11302	1.5
167.02391	0.9
167.95094	8.0
167.97131	11.4
171.11690	2.6
172.95609	4.6
172.97755	1.2
173.02347	1.0
173.05934	1.7
173.08095	24.2
173.09625	27.8
173.13248	100.0
173.17238	5.4
173.98448	3.8
174.05437	1.0
174.07521	1.4
174.10161	1.4
174.13568	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	173.0962
Annotation	Palutropone
Peak:m/z	Relative Intensity
53.03953	1.0
55.01864	2.1
55.05507	31.9
55.93503	2.3
56.96561	7.6
57.03415	3.1
59.04996	7.0
67.05476	3.4
69.03403	2.3
70.95856	5.3
71.04965	0.7
71.59768	1.4
71.94087	0.8
72.08117	1.0
72.93784	54.3
73.02885	0.8
78.64868	0.8
79.05479	3.1
81.03403	1.7
81.07025	1.9
83.04974	31.4
85.02876	0.9
85.06538	1.2
86.06049	1.5
87.04452	3.2
88.96869	1.2
89.02377	2.2
89.03877	1.1
89.94041	1.2
90.90373	43.2
90.94818	41.4
91.05459	7.0
91.90385	1.3
95.04965	1.7
96.04457	1.0
97.02903	1.3
98.97586	1.5
98.98418	1.0
99.04449	1.4
99.38985	0.8
101.06006	24.9
103.47484	1.9
105.07026	15.2
107.04956	2.1
107.95058	1.0
108.91420	4.0
108.95853	24.1
111.04435	27.3
111.98491	3.8
113.06006	3.8
113.96378	8.4
115.05447	6.1
116.06211	1.4
116.98603	0.9
117.07006	12.2
118.06535	4.5
119.01719	0.9
119.08566	1.7
125.96075	2.5
126.92415	1.5
126.96925	1.1
127.07541	4.2
128.04987	1.0
128.06181	2.0
128.07024	1.6
129.04497	1.1
129.05473	23.0
129.06943	9.0
129.99500	3.8
130.06740	1.3
130.07771	9.9
131.00151	1.2
131.04927	1.0
131.08574	16.2
131.92975	6.1
131.97412	10.4
132.08047	0.9
132.95811	6.6
134.99635	0.9
143.08574	5.6
144.05701	1.5
144.09334	1.0
145.06464	7.4
145.07619	1.9
145.10106	49.1
146.05995	2.9
146.08061	1.6
146.10469	1.4
148.47298	1.1
149.01181	2.5
149.94043	43.2
149.96004	12.4
149.97182	2.6
149.98495	3.5
150.96884	23.9
152.69547	0.8
153.01097	1.2
153.07004	4.8
153.09161	0.8
154.07722	1.8
154.98985	1.4
155.05040	1.2
155.07008	24.2
155.08522	24.0
155.97403	3.5
157.06459	1.4
158.07262	55.8
158.10890	3.3
159.07645	1.3
167.95099	8.7
167.97166	20.2
167.98352	0.7
168.97845	0.7
171.11688	0.8
172.95592	3.8
172.97723	2.1
173.02330	6.1
173.05914	2.8
173.08096	31.3
173.09599	100.0
173.13219	16.8
173.98480	6.1
174.05495	2.2
174.07501	1.2
174.09976	4.0
174.12767	2.6
183.09160	1.4
190.98750	1.9
193.09586	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.3
53.03937	0.7
55.05505	6.3
55.93520	0.3
56.96558	1.0
57.03426	0.8
57.07069	0.7
59.05001	1.1
60.53916	0.3
65.03931	0.7
67.05489	2.4
69.03432	0.3
71.08629	0.6
71.60324	0.5
71.60669	0.4
72.93782	6.1
79.05478	1.8
81.03384	0.4
81.07050	2.3
83.04970	5.6
87.04473	0.5
87.14233	0.3
89.02393	0.4
90.90372	16.6
90.94810	4.4
91.05471	11.5
91.90431	0.5
93.07015	0.7
95.08575	0.5
98.80663	0.3
99.04436	0.4
99.22694	0.3
101.06007	3.9
103.05443	0.5
105.07018	10.7
107.08590	0.3
108.91430	1.4
108.95865	1.8
111.04433	4.1
111.98476	0.4
113.05986	0.5
113.96404	0.8
115.05425	2.6
116.06230	2.0
117.06999	7.1
118.06557	0.6
119.08566	12.9
120.08933	0.5
121.61606	0.3
122.59287	0.3
126.10555	0.3
127.07550	1.1
128.06203	2.0
128.07048	0.4
129.05498	3.5
129.06987	9.7
130.07816	3.5
131.08553	82.5
131.92970	3.4
131.97424	0.8
132.08835	2.2
132.95808	0.8
133.10107	2.9
141.06866	0.4
142.07765	1.2
143.08543	24.0
144.09349	7.1
145.06462	0.8
145.10107	26.4
146.05995	0.5
146.10431	0.7
149.94031	17.9
149.96056	1.0
149.97150	0.4
150.94054	0.3
150.96819	1.8
155.05891	0.5
155.07025	3.4
155.08507	1.1
156.09319	1.3
157.10104	1.7
158.07233	1.4
158.10895	37.2
159.11617	2.3
167.95105	2.3
167.97157	2.1
171.11690	2.1
172.95656	1.3
173.08083	5.7
173.09628	4.9
173.13242	100.0
173.98500	0.6
174.07605	0.4
174.13638	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14314	1.0
53.00277	1.2
53.03946	8.8
55.01871	2.3
55.05511	39.5
55.93509	1.0
56.05022	4.4
56.96344	1.2
56.96567	14.9
57.03439	10.5
58.06585	3.7
59.04997	7.5
59.06123	1.2
60.04531	5.4
67.03007	1.2
67.05478	2.1
68.05018	3.2
68.56100	0.9
69.03416	3.3
69.07047	4.3
69.65636	3.1
69.66062	4.3
70.06592	18.4
70.94271	1.5
71.04993	45.3
71.06100	1.7
72.04506	4.3
72.08158	8.2
72.93401	1.5
72.93788	26.6
73.02899	1.2
73.06528	1.0
74.06081	8.0
76.02232	2.0
78.88095	1.0
80.05019	1.8
81.03418	20.5
81.04496	1.4
81.07047	1.5
82.06579	2.2
82.63795	1.0
83.04483	1.9
83.04980	33.8
83.08588	1.3
84.04504	5.3
84.08150	9.3
85.02906	1.4
85.04023	2.4
85.06542	9.4
85.07652	1.6
86.06061	5.2
86.09705	7.0
87.04472	3.0
87.05595	2.4
87.10005	1.7
88.04008	1.0
88.07650	1.7
89.02380	1.9
89.94078	1.0
90.90362	1.6
90.94827	19.6
93.04486	1.0
95.06078	1.2
96.05602	1.1
96.08113	1.7
97.04019	1.8
98.06054	49.3
98.09679	8.8
98.21496	1.3
98.97593	3.4
99.03851	1.9
99.04459	34.6
99.05529	2.2
100.03962	3.2
100.07562	1.1
101.06017	22.2
101.07095	1.9
103.07563	3.3
104.03461	2.2
105.07034	1.5
107.95057	1.4
108.95858	12.1
109.06515	1.4
109.07608	1.0
109.10119	1.0
110.09663	1.4
111.03711	1.4
111.04441	22.7
111.05602	1.4
112.03941	2.0
112.05082	1.2
112.07612	6.6
112.11233	1.1
113.05227	2.2
113.06003	34.0
113.07156	1.4
113.96386	3.6
114.05511	1.2
114.06635	1.9
114.09119	1.3
115.04996	1.0
115.08677	1.2
116.07092	1.7
116.98627	7.9
117.05507	9.2
117.06992	2.8
118.80737	1.0
119.01938	6.7
124.07607	1.2
125.96097	1.3
126.05540	2.0
126.06611	1.7
126.09154	2.1
127.05031	2.7
127.07535	5.2
127.08556	1.3
128.07065	1.5
128.10742	1.4
129.05490	21.4
130.07712	2.0
130.08627	20.9
130.96288	2.2
131.07053	22.8
131.08057	1.5
131.97411	3.6
132.07430	1.3
134.99660	9.3
137.02989	1.9
137.05878	1.1
140.07072	20.5
144.08035	3.5
145.06480	2.2
145.10152	8.6
146.99640	1.5
147.96771	1.0
148.97388	6.6
149.01222	1.5
149.94040	1.6
149.96078	5.6
149.97154	2.1
153.00703	2.4
154.06145	2.9
154.08640	2.6
155.07036	23.2
158.07376	1.0
167.97107	7.4
172.07581	5.8
172.09688	100.0
172.10739	4.1
172.16933	2.6
173.08124	26.5
173.09944	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	172.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03471	0.2
55.01878	1.9
55.05513	0.9
56.96560	0.4
57.04559	0.2
57.52272	0.2
58.06604	0.2
69.07085	0.2
70.06574	0.3
70.18456	0.4
70.18866	0.5
70.21674	0.2
72.08147	0.2
72.93779	1.2
83.04990	0.7
84.08183	0.2
86.06034	0.2
86.09730	0.2
90.94827	0.6
91.05457	0.8
98.20893	0.2
98.97580	0.2
101.06020	0.6
103.05457	1.3
108.95871	0.3
111.04446	0.9
115.05449	2.5
116.05005	0.2
116.06251	0.2
116.98637	0.3
117.05788	0.9
117.07008	10.3
118.06540	0.8
121.81643	0.2
128.04977	0.8
128.06197	0.4
129.05533	0.4
130.06520	1.7
132.04439	0.3
134.99661	0.2
142.06448	0.3
143.07300	17.9
144.08076	100.0
145.06499	3.6
145.08408	2.6
146.05966	0.5
149.96111	0.3
154.06506	3.5
155.06024	1.9
155.07045	0.4
157.05145	0.2
167.97186	0.3
172.07562	23.3
173.06003	0.2
173.07979	1.4
173.09421	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01902	0.3
52.09872	0.3
55.05508	3.5
55.93513	0.5
56.96569	2.6
59.04998	0.3
60.04531	0.4
63.02359	2.8
65.03938	7.0
67.01864	0.5
67.05495	0.7
69.03425	0.5
70.06560	0.3
70.77706	0.8
71.04996	0.5
71.93015	0.5
72.04520	0.4
72.93782	8.1
75.02351	0.6
76.03140	0.5
77.03905	0.3
79.01830	0.3
79.05488	1.4
80.01375	1.2
81.07072	0.4
83.04977	3.2
84.04474	0.3
85.02888	1.2
86.06067	0.5
87.02355	7.0
87.04478	0.8
88.11278	1.5
89.03912	82.7
89.90695	0.6
89.94028	0.4
90.03456	1.6
90.04241	2.0
90.90378	7.7
90.94821	7.3
91.05473	0.7
92.04985	1.9
95.04930	0.6
96.51349	0.3
98.06065	0.6
98.97546	0.5
101.06015	2.7
102.03432	0.5
103.01836	2.0
104.02588	0.3
105.06976	0.4
108.95852	3.6
110.06035	0.4
111.04433	2.1
112.07566	0.5
113.05966	0.5
113.96392	1.1
116.04971	100.0
116.98607	0.5
117.03371	0.8
117.04559	0.7
117.05307	2.6
117.07005	0.8
119.08578	0.5
120.04400	0.5
125.96127	1.5
126.09129	0.3
126.92422	0.3
127.07523	0.3
128.02319	0.5
129.05472	1.7
129.07120	0.3
130.02837	0.4
130.06535	0.6
131.00107	0.3
131.08560	3.4
131.92957	1.5
131.97420	1.3
132.04440	2.2
134.06007	14.5
134.99638	0.6
141.92891	0.3
144.04437	82.3
145.03923	1.1
145.04938	1.6
145.06514	0.4
145.10097	1.2
148.94371	0.5
148.97647	2.0
149.01167	0.8
149.94048	7.3
149.96048	1.9
149.97235	0.7
153.00688	0.4
155.07037	2.6
157.07571	1.3
157.09714	0.5
158.10915	0.9
162.05495	20.3
167.02345	0.4
167.95026	1.5
167.97144	3.4
172.03915	40.6
172.07449	1.0
172.09683	1.2
172.11172	1.0
172.13326	0.5
172.15337	0.4
172.16989	1.1
172.95618	0.5
173.02330	0.7
173.04272	1.3
173.05792	0.5
173.08145	2.8
173.09512	0.7
173.13266	2.7
190.04985	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01898	0.5
55.05512	5.1
56.96571	2.4
59.04979	1.0
63.02376	2.8
65.03933	6.9
67.01873	0.6
67.05495	0.8
68.96348	0.7
70.73797	1.4
72.04504	0.7
72.08127	0.7
72.93781	7.5
73.58650	0.5
79.05481	1.2
80.01369	1.3
81.03443	0.7
81.07046	1.1
83.04973	4.3
84.04488	0.9
84.08118	0.6
85.02905	0.9
87.02354	6.8
88.11261	1.7
89.03911	80.5
90.03427	1.5
90.04234	2.0
90.90367	2.4
90.94826	5.2
91.05489	1.0
92.05006	1.6
95.04972	0.6
101.05995	2.4
103.01819	2.3
107.04957	0.8
108.95850	3.2
111.04437	5.0
112.07600	1.1
113.05998	0.9
113.96391	1.2
116.04970	100.0
117.03412	0.8
117.05299	3.1
117.06990	0.7
118.06493	0.7
125.96085	0.5
127.07522	0.6
129.05466	2.1
130.08649	0.6
131.08565	1.0
131.97440	1.1
132.04483	3.0
134.06007	11.9
134.99562	0.7
142.86009	0.5
144.04436	85.1
144.08067	1.9
145.04785	2.2
145.06451	0.8
145.10074	0.9
148.97453	2.2
149.01216	1.5
149.94020	2.3
149.96095	1.8
153.97879	0.5
154.08586	0.5
155.07022	2.8
157.07567	0.8
162.05502	20.6
167.02362	0.7
167.97128	2.4
172.03918	41.8
172.07625	1.6
172.09610	1.1
172.11046	1.2
172.13316	1.1
172.16920	0.8
173.02341	1.2
173.04189	1.2
173.08073	4.4
173.09554	1.0
173.13248	1.6
187.34537	0.7
190.05029	0.5
192.87607	0.6
192.99883	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48935	0.4
53.03942	0.4
55.01867	1.6
55.05510	3.2
56.05033	2.4
56.96566	6.7
57.18193	0.3
58.06598	3.2
59.06118	0.4
61.02929	0.5
67.05499	1.1
68.05027	2.8
69.03435	0.5
69.07065	1.8
70.06593	4.7
71.04984	0.6
71.57639	0.7
71.95246	0.6
72.04513	4.8
72.04884	0.4
72.08154	9.8
72.93776	1.5
74.02448	0.4
79.05498	1.8
80.05016	0.5
81.07056	5.8
82.06575	5.7
83.06107	4.9
83.08607	2.1
84.04526	0.9
84.08144	10.1
85.02939	0.6
85.07665	1.7
86.06076	1.1
86.09708	4.9
89.07163	2.6
90.94805	0.6
91.05460	1.0
93.05798	0.6
93.07057	0.4
95.04958	0.9
96.07553	0.8
96.08134	11.2
97.06521	0.7
97.07624	0.5
97.08468	0.4
98.09693	19.5
98.97581	3.2
100.07624	5.3
101.00875	0.7
103.02462	0.8
103.12373	0.7
107.04953	1.1
108.08120	13.1
109.08471	0.6
110.07166	1.4
110.07867	0.5
110.09674	0.6
110.97595	0.5
111.05573	0.5
111.09219	0.7
112.07622	0.7
112.11237	1.6
113.00874	0.4
114.05507	0.5
115.05833	0.5
116.98616	4.0
119.01904	5.5
120.02026	0.5
125.10754	100.0
126.05515	0.8
126.09179	2.7
126.10247	0.5
126.11105	3.0
128.61331	0.4
128.98601	2.5
130.08624	0.4
131.01932	1.3
131.97504	0.4
134.99641	3.9
135.06354	3.3
136.06200	1.7
137.02928	1.5
137.10742	0.4
139.00279	1.2
141.07059	0.4
143.05267	0.5
143.11780	0.6
145.03580	0.5
146.01308	0.4
146.46199	0.4
146.99625	4.8
147.05023	1.7
147.96846	2.1
148.97466	0.9
149.02971	0.5
153.00706	1.0
153.01851	0.9
153.07458	4.7
154.08621	1.2
155.11781	0.8
156.09282	0.7
157.01314	2.2
161.02972	0.9
165.00697	1.0
165.06050	0.5
165.97987	1.3
169.10143	0.4
171.02975	0.9
171.05072	1.5
171.11288	31.1
171.14891	2.5
172.07596	0.4
172.09677	1.3
172.11720	1.1
173.02966	0.6
189.00725	1.0
189.06073	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.9
54.03456	1.7
55.01863	3.4
55.05506	45.9
55.93513	4.4
56.05022	9.0
56.05855	1.5
56.96289	2.2
56.96560	44.3
56.96838	3.1
57.03435	3.4
57.07066	3.1
58.06600	11.2
59.04982	5.9
59.06112	4.4
60.04510	7.0
60.95845	1.7
63.50928	1.6
65.03924	2.3
65.28183	1.5
67.05500	10.7
68.05016	6.7
69.03418	15.6
69.04538	2.4
69.07045	6.4
70.02928	3.1
70.06585	22.4
70.94251	4.0
71.04972	5.0
71.06113	3.4
71.59512	1.6
71.92998	3.1
72.04512	8.3
72.08147	11.2
72.93781	61.0
73.02903	6.9
74.06059	5.3
74.97595	3.3
75.05582	3.6
79.05482	2.4
80.05001	4.1
81.03410	2.8
81.04525	4.1
81.07031	3.1
82.06575	4.2
83.04974	42.9
83.06084	6.4
84.04490	11.8
84.08136	14.3
84.96026	4.0
85.02908	7.4
85.04007	3.0
85.06533	3.1
85.07658	7.0
86.06059	10.2
86.09693	5.8
87.04447	5.1
87.05569	4.4
88.07611	5.1
88.95289	2.0
89.02386	2.7
89.07143	2.2
89.94046	3.1
90.90339	1.9
90.94817	51.2
91.05469	3.4
93.07031	2.0
94.06525	3.7
95.04950	7.3
95.06086	4.2
96.04461	4.0
96.08115	3.5
97.02877	3.4
97.03987	2.1
97.06479	1.9
97.07639	4.6
98.06022	10.0
98.09676	18.2
98.97576	19.6
99.04440	3.4
99.05587	3.8
100.03935	2.5
100.07592	3.4
101.06001	26.4
101.07111	2.7
102.09158	1.7
102.97050	1.5
104.03451	2.4
107.04941	100.0
107.95071	3.0
108.05289	5.7
108.08109	3.5
108.95850	37.3
108.96571	3.3
109.03973	1.7
109.06478	4.1
109.07606	3.6
109.10136	2.3
109.98899	1.8
110.05994	3.0
110.07188	1.5
111.04430	29.3
111.05272	1.8
111.05545	2.5
111.08035	1.8
111.09165	2.7
112.03947	3.3
112.05069	5.2
112.07583	16.8
113.05964	6.9
113.07127	3.8
113.96409	7.8
114.05504	2.7
114.06621	6.4
114.09134	2.9
115.08617	2.4
116.07086	2.9
116.98603	24.5
117.06994	2.6
119.01859	3.3
124.07581	2.0
125.07104	3.3
125.96091	5.1
126.05495	3.8
126.06608	2.2
126.09149	8.7
127.03922	3.1
127.04949	2.3
127.07594	3.7
127.08649	4.9
128.07050	4.7
128.98584	5.7
129.05467	25.7
129.06395	2.7
130.04962	3.6
130.08656	3.3
130.96356	2.8
131.00179	2.6
131.08165	5.9
131.96117	1.7
131.96443	1.7
131.97420	11.9
134.99646	32.9
135.71164	1.4
137.05988	4.6
141.04182	1.4
143.00185	4.7
144.08041	3.0
145.06477	3.2
146.99649	11.2
148.97368	18.6
149.01198	4.1
149.94046	4.3
149.96072	17.7
149.97173	13.2
150.00720	3.6
150.96848	1.7
153.00667	6.7
154.05009	2.4
154.08678	8.4
155.07025	24.8
155.08147	3.7
155.11794	2.9
156.10249	2.3
158.01295	2.5
158.99678	2.6
161.01210	10.8
161.04649	2.3
165.00711	3.6
167.02216	2.7
167.97095	23.1
170.99629	1.9
171.98975	4.3
172.03851	2.2
172.07416	7.3
172.09671	23.5
172.10980	10.4
172.13312	3.5
172.15500	2.2
172.16954	5.6
172.97498	1.8
172.98857	2.8
173.08008	42.5
173.09396	2.1
173.13039	2.1
177.00717	4.1
179.02254	2.6
181.04352	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	170.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80229	0.1
55.05505	4.1
57.07068	3.7
59.04996	0.6
69.37474	0.4
69.37901	0.8
70.04069	100.0
71.03769	0.3
71.04399	0.5
83.08608	9.7
84.08947	0.2
85.02882	0.2
87.00728	0.1
89.85365	0.1
96.08165	0.2
101.09646	3.8
105.03379	0.2
128.06212	0.3
128.95108	0.2
129.07048	0.1
143.08540	0.3
143.36041	0.1
146.96114	0.3
146.97322	0.1
153.06944	0.2
162.03662	0.1
170.12868	48.5
171.08017	0.3
171.13239	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0167
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57578	63.2
100.07626	100.0
119.01966	38.2
130.26822	38.0
144.11899	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	170.0923
Annotation	2-amino-3-(1H-imidazol-5-yl)-2-methylpropanoic acid
Peak:m/z	Relative Intensity
53.03926	0.7
54.03448	0.6
55.01870	2.2
55.05500	1.3
55.93515	1.6
56.05034	4.4
56.96561	20.2
57.03432	2.7
58.02950	0.8
58.03756	0.4
58.06597	0.9
59.39045	0.3
60.95840	1.9
61.01140	0.3
61.02919	3.0
64.77091	0.4
65.03921	0.6
67.04233	0.6
67.05494	1.9
67.92493	0.4
68.05019	5.6
69.03426	4.1
69.07065	0.7
69.92549	1.9
70.04066	1.3
70.06583	3.6
70.95853	1.1
70.98067	0.4
71.04977	1.6
71.58325	0.5
71.95244	1.1
72.04504	1.3
72.08145	2.3
72.93767	1.3
73.02914	3.8
74.97601	0.7
77.00860	0.5
79.05485	1.4
80.05011	1.4
81.03410	1.7
81.04530	1.9
81.05769	0.7
81.07034	1.0
82.06577	2.9
83.00774	0.7
83.01319	0.5
83.04995	2.3
83.06094	17.4
83.06592	0.8
83.08617	0.6
83.70355	0.4
84.04498	3.5
84.08128	1.7
84.94887	2.4
84.96017	0.6
85.02901	4.2
85.04017	0.9
85.06561	0.6
85.07658	2.5
86.03223	0.5
86.06059	1.0
87.04453	1.8
88.02203	1.0
88.96896	1.3
88.99133	0.6
89.07150	0.5
89.96310	0.4
90.01578	0.5
90.94836	0.6
91.02333	0.6
92.01244	0.8
92.04959	0.5
93.04510	0.7
93.05777	6.3
94.06562	2.9
95.00778	0.5
95.04971	0.6
95.06075	4.9
95.08575	0.5
96.04495	1.5
96.06865	34.4
96.08120	5.2
97.02880	2.8
97.06641	0.4
97.07652	10.8
97.99184	0.4
98.01291	2.2
98.06035	0.8
98.97578	5.9
99.02084	0.6
99.04438	2.2
99.09121	0.4
100.02487	0.9
100.07599	1.6
101.00851	1.5
102.02274	0.5
102.95918	0.5
102.96915	0.7
103.00634	0.5
103.02451	2.8
103.03113	0.7
104.01296	1.8
104.73227	0.4
105.00372	0.8
105.02089	1.0
106.06576	3.0
106.07198	0.5
107.00193	0.6
107.01794	1.9
107.04935	0.7
107.06074	0.5
107.07350	2.0
108.04474	0.4
108.08111	6.2
108.95842	0.6
109.02885	0.7
109.07633	35.3
110.01283	2.0
110.02396	0.6
110.06042	2.7
110.07166	4.7
110.07903	0.6
110.97547	1.2
111.02036	0.9
111.04409	0.6
111.09174	0.4
111.53023	0.4
112.00986	0.5
112.02841	0.6
112.07561	0.7
113.96391	0.7
114.05507	1.4
114.09177	0.5
115.02343	0.5
116.97242	0.6
116.98603	6.7
117.02118	0.9
118.01115	0.6
118.03546	1.1
119.01897	10.5
120.01929	2.6
120.97860	0.4
121.01664	2.0
121.02483	0.3
121.03448	2.2
122.02225	0.4
122.06000	1.6
123.06804	5.6
124.05100	1.0
124.07621	11.7
124.08698	100.0
125.01830	0.4
125.04659	0.8
125.07100	6.1
125.09056	1.8
125.97496	1.3
126.02573	0.6
126.05464	0.6
126.09152	2.8
126.10260	6.3
127.01517	0.8
127.03988	0.5
128.00212	0.5
128.02283	1.0
128.04564	4.1
128.07076	2.2
128.93788	0.9
128.95061	1.5
128.98593	6.3
129.00296	0.4
129.03987	1.3
129.53709	0.5
130.01955	1.0
131.01880	4.4
131.97429	0.7
132.01892	1.9
133.01620	2.3
133.03453	3.4
134.01268	0.4
134.05994	6.7
134.99651	7.6
135.03166	0.6
135.06342	0.8
136.06181	4.5
137.02968	2.4
138.03140	0.9
138.05481	5.4
138.54053	0.5
138.66283	0.4
138.98906	0.8
139.00264	0.6
139.02684	0.6
139.06241	0.7
140.02321	0.8
140.07027	0.7
142.03487	2.7
142.04932	0.8
142.05893	0.4
142.07368	0.7
142.08617	2.4
143.00101	0.4
145.01642	0.6
145.03450	1.3
146.01155	0.7
146.03577	0.8
146.94952	0.8
146.96118	3.8
146.97392	2.2
146.99644	12.3
147.01373	4.8
147.03157	3.7
147.04980	5.0
147.96854	0.7
148.01534	0.4
149.01155	0.8
149.02940	1.2
150.03040	0.6
151.02711	0.8
151.04514	0.6
152.07051	42.3
153.00688	1.5
153.06534	1.2
153.07512	1.2
156.03145	0.6
156.05003	0.4
157.01308	1.5
157.03455	0.7
158.99542	0.4
159.03246	0.4
159.04950	0.6
160.04568	0.7
161.01207	0.8
161.02924	0.7
162.03152	0.6
163.02750	0.8
163.04422	0.5
164.04666	0.4
164.95906	1.9
164.98450	0.8
165.00684	3.3
165.02441	1.3
165.04308	1.4
165.06102	2.1
169.99033	0.7
170.02946	2.4
170.06505	1.0
170.06810	0.8
170.08086	20.5
170.09271	24.3
170.11713	1.6
170.12936	1.4
171.03188	0.4
171.05025	0.9
171.07597	3.4
171.09758	0.9
171.11234	4.2
171.15002	0.5
174.01849	0.4
174.03152	0.5
175.04523	0.6
177.00673	1.2
187.97575	0.4
188.04651	0.5
188.07672	0.9
189.00679	0.7
189.06038	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0811
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
53.03936	0.9
55.01865	1.1
55.05499	0.5
56.05018	1.9
56.96289	0.6
56.96560	9.4
57.03423	0.7
60.95837	0.5
61.02911	0.5
62.05025	0.5
65.03935	1.2
67.05490	0.9
68.05015	1.8
68.99798	0.9
69.03404	1.5
69.07059	0.9
69.92543	1.4
70.05074	2.3
70.06584	1.1
70.98089	0.6
71.01292	0.5
72.08145	1.1
72.93783	1.2
79.05496	4.4
80.05019	1.3
81.03412	1.2
81.07022	1.4
82.06576	2.5
83.04965	0.8
83.06093	2.0
84.04491	1.3
84.08147	0.9
84.94871	2.2
84.96002	0.7
85.02901	1.3
85.07629	0.5
88.02219	1.2
88.99178	0.6
95.04961	1.6
95.06082	1.0
96.06863	1.6
96.08131	3.8
97.02876	2.0
97.06525	1.3
97.07618	0.6
98.06034	1.2
98.09685	1.2
98.20864	0.6
98.97576	2.4
99.04440	1.0
100.07601	0.8
101.00904	0.7
103.02460	1.1
106.06528	3.2
107.04953	7.2
108.08100	1.4
109.02863	2.1
109.07666	2.5
110.03564	0.7
110.06026	0.7
110.07170	1.4
110.97546	1.0
114.05503	1.9
116.98624	1.7
118.01019	0.5
119.01888	2.6
119.03585	0.6
121.02830	4.7
123.04390	2.6
123.06802	0.9
124.05203	1.7
124.07580	8.3
124.08693	9.4
124.51715	0.4
125.05974	2.0
125.10744	10.7
125.97501	0.7
127.01529	2.4
128.93777	0.7
128.95061	0.9
128.98599	2.3
134.06010	63.1
134.99577	0.8
135.04395	3.0
135.06348	1.8
136.02060	0.7
136.05180	3.5
136.06183	4.6
137.04729	0.6
142.03450	0.5
142.04997	1.5
142.07275	1.2
142.08548	0.7
146.94852	0.9
146.96101	0.5
146.97293	1.0
146.99655	2.2
147.01334	0.9
147.03212	0.7
147.04985	0.9
147.96909	1.4
152.07057	100.0
153.00659	0.5
153.04153	0.6
153.05469	12.0
153.07376	3.0
161.01137	0.6
164.95932	1.0
165.52835	0.5
165.97980	0.8
169.01727	1.4
170.03044	0.7
170.08109	14.5
170.09442	1.7
170.11610	0.9
170.12936	0.7
170.15384	0.8
171.11276	3.2
177.00566	0.8
187.02788	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16245	0.4
50.21780	0.4
56.96560	0.9
65.17760	0.4
69.56161	0.4
70.30734	1.5
72.08149	0.4
72.93798	0.6
92.04967	0.5
93.05795	0.5
105.77132	0.4
115.05455	59.9
116.05021	0.7
116.05785	1.3
124.07679	0.5
125.35545	0.5
130.06497	0.5
131.07301	0.6
134.05980	0.7
135.81926	0.5
139.68747	0.4
140.04967	0.9
141.05725	0.7
142.06525	31.3
143.06929	0.9
147.96915	0.7
160.07603	1.2
170.06013	100.0
171.06558	2.8
171.09190	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1222
Annotation	(4S,7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone
Peak:m/z	Relative Intensity
53.03933	1.6
55.01873	6.0
55.05508	18.7
55.93516	1.3
56.96551	1.7
57.03434	3.3
57.07060	1.9
59.04991	3.4
60.95961	0.5
63.70490	0.4
65.03927	1.8
67.01852	0.5
67.05501	29.0
67.58433	0.4
67.93572	0.5
68.05019	0.4
68.05831	0.5
69.03400	1.1
69.07066	4.3
70.04070	1.0
71.01352	5.1
71.04989	8.3
71.48777	0.4
71.59590	0.6
71.82892	0.4
72.93774	0.5
73.06548	0.5
79.05489	15.6
80.05760	0.4
81.03417	3.0
81.07052	50.0
82.06554	0.6
82.07390	1.1
83.04977	2.6
83.08614	10.9
85.02896	0.9
85.06546	1.9
91.05476	15.4
91.70971	0.4
92.05803	0.5
93.07044	7.5
95.04958	2.3
95.08603	5.6
96.08125	0.5
96.08965	0.4
96.94904	0.5
97.06515	1.6
97.10171	1.0
99.04461	0.9
99.08066	0.7
102.94846	0.4
103.95669	0.4
105.06372	0.8
105.07029	9.9
107.08587	8.4
109.02892	1.7
109.06499	3.2
109.10147	6.1
110.06067	0.6
111.00778	2.0
111.04446	1.5
111.08072	1.6
113.00011	21.9
119.00199	0.4
123.04433	1.1
123.08043	0.6
123.11716	8.1
124.04672	0.9
124.07580	1.2
125.09614	0.7
126.03117	2.1
128.06252	0.8
128.07120	0.7
128.45399	0.4
128.95103	1.9
129.00998	0.4
131.08540	0.6
133.10103	3.9
141.00972	0.5
141.05460	6.6
141.06992	5.4
142.08664	0.5
146.07585	0.4
146.96095	3.1
151.11130	0.8
152.07060	0.7
153.06981	1.0
154.07785	4.9
155.08095	0.5
163.97734	1.6
167.08542	0.7
169.02579	1.9
169.05037	2.5
169.10208	9.1
169.12236	100.0
170.06017	0.5
170.08096	1.3
170.09442	0.9
170.12648	3.8
181.98799	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07887	0.2
51.15888	0.2
53.03933	0.4
53.42732	0.2
54.03466	0.3
55.01866	1.1
55.05505	1.4
55.93520	3.0
56.05032	2.1
56.94304	0.5
56.96561	10.3
57.03426	0.8
57.07063	0.6
57.93554	0.2
58.06586	0.8
59.06108	0.9
60.04509	0.5
61.02901	0.5
61.04036	0.4
65.03928	1.0
67.02969	0.2
67.05508	1.9
68.01385	4.4
68.05024	1.2
68.99758	0.2
69.03420	1.9
69.04557	0.3
69.07054	1.0
69.92506	1.3
70.02954	0.2
70.04066	1.1
70.06591	2.2
70.94249	1.4
70.94583	0.3
70.95865	1.4
71.04982	0.8
71.08605	0.2
71.92999	0.3
71.94086	0.3
72.04514	1.6
72.08144	1.7
72.93386	0.4
72.93782	6.6
73.02895	0.6
74.97595	0.3
79.05487	1.0
80.05022	0.5
81.03405	0.9
81.04521	0.5
81.05769	0.2
81.07054	1.6
82.02945	0.2
82.05307	0.3
82.06567	1.7
83.01332	0.6
83.04958	0.6
83.06099	1.3
83.08622	0.5
84.04500	2.2
84.08143	0.6
84.94904	0.5
84.96021	0.6
85.02939	2.0
85.04021	24.4
85.06547	0.4
85.07665	0.4
86.06072	1.3
86.09689	0.5
87.04461	0.5
88.07632	0.4
88.93256	0.2
88.95284	1.1
88.96902	1.6
89.07149	0.3
89.55300	0.2
89.94043	0.3
89.96413	0.8
90.94829	3.1
92.04988	0.7
93.04533	0.3
93.05764	0.7
94.06552	0.6
95.04958	2.2
95.06084	2.0
96.04485	0.6
96.06838	0.4
96.08134	1.9
97.02886	1.6
97.05139	0.5
97.06516	0.4
97.07654	1.0
98.03564	0.4
98.06046	1.1
98.07171	0.3
98.09647	0.2
98.97598	1.4
99.04459	0.5
99.05577	0.6
99.06679	0.4
99.09257	0.3
99.94833	0.8
100.02489	0.3
100.03965	0.7
100.05090	0.3
100.07602	0.8
102.05518	0.3
103.95615	0.2
106.06544	0.4
106.96328	0.3
106.97919	0.7
107.04984	0.3
107.06068	0.5
107.08557	0.3
108.04430	0.3
108.08113	0.4
108.95853	0.9
109.02860	0.3
109.07639	1.0
110.03471	0.7
110.06049	2.2
110.07173	2.6
110.97543	0.3
111.01920	2.0
111.04414	0.8
111.05529	0.7
111.09182	1.0
112.02844	0.5
112.04768	0.4
112.07596	0.7
112.08716	0.8
112.09386	0.2
113.06010	0.4
113.07130	0.5
113.96346	1.1
114.05516	0.8
114.07766	0.5
114.09133	0.5
116.97217	0.6
116.98609	1.8
118.03508	0.3
120.54158	0.2
121.02844	4.9
122.03232	0.3
122.07140	0.3
123.04479	0.3
123.05536	0.4
123.09204	0.3
124.07587	4.2
124.08697	1.6
124.11214	0.8
124.95248	0.3
125.03535	0.3
125.04608	0.9
125.06030	0.5
125.07083	1.1
126.01059	0.6
126.05495	0.6
127.06113	0.5
127.08659	0.4
128.04552	100.0
128.07042	2.2
128.95088	3.2
128.96404	0.4
128.98586	0.9
129.02943	0.5
129.04970	1.3
131.00212	0.3
131.97449	1.3
134.05984	2.2
134.99638	2.4
135.03003	0.3
135.05501	0.4
136.06201	1.4
142.05824	0.9
142.07285	0.8
142.08626	1.5
146.96117	5.8
146.97386	4.1
146.98560	0.5
146.99576	1.6
147.96899	6.8
149.96060	0.2
149.97165	0.4
150.96883	0.3
152.04530	0.7
152.05844	0.5
152.07059	4.2
152.08153	0.4
152.10663	0.3
153.00664	0.6
153.01849	0.4
153.05455	0.4
153.10213	0.7
155.97450	0.4
158.99707	0.3
159.03329	0.3
161.01210	0.7
161.04842	1.1
162.99080	0.2
163.00450	0.3
163.12326	0.2
163.97696	0.2
164.95853	0.2
164.98392	1.9
165.00670	0.4
165.97966	5.6
169.01709	0.7
169.99033	0.7
170.04204	0.4
170.05620	6.8
170.08105	4.5
170.09500	2.9
170.11526	1.7
170.13029	1.5
170.15411	0.7
170.98523	0.7
171.11371	0.3
171.14977	0.3
177.00711	0.4
178.09714	1.3
178.96451	0.4
179.05899	0.6
187.02768	2.5
189.00844	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.05505	2.0
56.05030	1.1
56.28379	0.6
56.96546	0.8
57.07048	0.9
57.47376	0.6
58.04831	0.6
58.99863	0.8
59.06113	2.6
65.03933	1.8
67.05499	1.7
67.92500	1.5
68.05016	2.0
68.99757	1.5
69.03418	1.4
69.04544	5.3
69.07053	0.9
70.06593	1.9
71.04976	0.9
71.57217	1.0
72.08160	1.6
77.00896	1.6
79.05476	1.0
81.03410	2.7
81.04516	0.7
81.07044	2.4
82.06580	1.5
82.94837	1.9
82.99777	0.9
83.04971	1.1
83.06086	1.5
84.08121	3.1
85.02917	1.3
85.07652	0.9
86.00929	2.5
91.05444	0.6
92.04964	0.9
93.05781	1.3
93.07028	1.2
94.06546	1.2
95.01923	1.2
95.04945	2.3
95.08609	1.7
96.06913	0.7
97.02859	1.1
97.07671	1.3
98.07146	0.6
100.02469	5.3
101.00864	7.3
101.02555	0.9
102.04076	4.0
103.02451	4.1
103.95634	0.6
104.01970	14.6
105.00381	1.0
105.02039	0.8
105.07030	0.9
106.00438	0.9
107.08537	0.9
109.02886	5.4
109.06491	1.7
109.07619	3.1
110.05988	1.0
110.07202	0.9
111.00812	3.4
111.04436	2.9
111.09201	8.3
112.07625	0.9
117.04040	0.8
117.93498	0.7
118.03520	6.9
118.94412	0.8
119.01916	100.0
120.01983	4.2
120.03253	1.3
120.05083	3.0
121.01662	5.2
121.02397	0.9
121.03475	2.6
122.02011	1.9
122.02995	12.4
122.07207	0.6
122.99440	0.8
123.02078	8.5
123.04421	1.5
123.08043	0.7
123.09164	1.9
125.07082	0.9
126.03133	5.1
126.03970	1.5
127.00915	0.9
127.03516	5.3
127.07202	1.2
128.00996	0.8
128.01910	1.8
129.04010	0.7
130.03546	0.7
131.01917	2.4
132.05075	0.9
133.01680	1.0
133.03596	0.8
134.03004	0.9
136.04501	4.9
137.02957	59.0
138.03036	2.5
139.02693	2.1
140.03081	1.9
141.03116	4.7
141.05467	11.1
141.06624	0.9
141.07001	0.7
142.03484	14.6
144.03918	1.0
144.05046	20.5
145.03468	6.7
145.04588	17.1
145.08231	2.3
146.02870	19.7
146.06567	1.5
147.01390	2.0
147.03139	1.6
147.05032	2.7
148.01395	1.4
150.06093	1.2
151.03876	4.9
151.08708	0.9
152.08165	1.2
152.11792	1.5
154.02603	0.6
159.06161	1.6
160.04530	7.1
162.06128	7.0
162.95924	1.3
163.04477	1.5
163.05711	2.6
163.97655	1.7
164.02135	0.8
164.02597	1.2
164.03946	13.7
164.07710	1.2
165.06117	2.8
167.06744	2.0
168.06256	1.0
169.04651	13.4
169.07167	2.5
169.08510	1.2
169.09694	1.3
169.14476	1.2
170.04700	0.9
170.06660	0.9
170.09581	1.6
171.04994	0.8
173.06546	0.7
177.00995	1.1
178.05540	0.8
181.98793	1.0
185.06519	0.7
187.02779	0.8
187.04210	1.5
187.05684	14.1
187.08041	4.9
188.04094	1.1
188.05830	1.8
188.07672	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.8
51.02374	2.5
53.00298	0.7
53.03948	1.7
55.01854	0.8
55.05499	0.4
55.93507	0.8
56.96568	1.3
57.03424	0.3
57.07063	0.4
57.22564	0.2
63.00040	0.3
65.03923	1.4
67.05489	0.7
69.07054	0.5
70.04057	1.0
71.04394	0.3
72.98434	0.4
75.00055	0.3
75.00579	0.3
75.01997	0.3
75.02366	3.8
77.03934	0.7
78.04691	0.4
79.01848	0.8
79.05491	1.8
79.56837	0.3
81.03400	0.9
81.07045	1.1
83.04964	0.3
83.08594	0.4
83.09056	0.2
84.98439	0.4
85.94550	0.3
87.00024	5.8
88.96899	0.3
91.05466	1.5
93.03386	0.7
94.04179	1.5
95.04961	5.6
98.03676	0.4
99.00008	12.9
99.04493	0.3
100.00294	0.2
102.03385	0.4
103.05461	8.4
103.95674	0.3
104.06256	0.3
105.03401	0.6
105.04511	1.2
105.07022	9.0
106.07854	0.4
109.02895	1.5
109.06507	0.3
109.10117	0.3
110.02399	0.2
110.99989	1.8
111.00805	1.1
111.03811	0.5
111.04445	4.1
112.00763	0.8
112.99998	0.3
113.01551	7.6
114.99464	0.5
115.05437	0.6
116.06226	0.6
118.94323	0.4
119.04946	4.3
119.95121	0.3
121.03993	0.5
121.96662	0.3
123.08048	0.6
124.04649	0.8
124.07572	0.4
125.01532	0.5
126.03162	1.6
126.99464	19.0
127.99776	0.5
128.95059	1.1
129.01027	33.3
130.01360	0.8
131.04959	1.2
132.05707	5.2
133.06563	1.7
134.06285	0.2
134.07268	6.3
139.00574	12.3
141.01015	100.0
141.02632	10.5
141.04599	1.6
141.05508	3.8
141.06987	0.8
142.01355	2.6
142.03110	0.3
146.04031	0.3
146.96141	1.7
152.07103	0.5
153.06985	0.3
154.07748	1.2
163.97690	1.2
168.02142	0.8
169.00714	0.4
169.02324	5.7
169.04150	17.3
169.07515	0.5
169.10098	2.4
169.11681	1.0
170.01686	0.3
170.04544	0.6
170.08115	0.5
181.98793	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
54.04264	0.9
55.01875	4.2
55.05514	2.8
56.05029	1.8
56.92982	0.7
56.96566	14.4
57.03440	7.4
57.07073	0.8
58.99860	4.5
59.99933	0.8
60.99612	2.6
61.02927	7.5
65.03943	2.4
67.05508	3.7
68.05014	1.0
69.01945	1.1
69.03429	9.8
69.07059	0.9
70.06596	3.6
70.99863	1.4
71.01346	2.3
71.04988	2.5
71.57625	0.8
72.04506	0.9
72.05321	1.0
72.08159	2.6
72.93789	1.1
73.02917	14.4
77.00911	5.9
78.00977	1.3
79.00668	5.2
79.05476	2.0
81.01917	2.1
81.03426	9.4
81.07056	2.9
82.02657	0.8
82.03757	1.8
82.06579	1.4
82.94874	1.2
83.04972	2.0
83.06097	2.1
84.08144	1.1
84.96037	0.9
85.01439	1.0
85.02911	10.3
86.03712	1.1
86.99331	2.3
87.04453	0.8
88.02679	1.5
89.00816	1.5
91.05495	1.2
93.01897	2.9
95.01974	2.2
95.04919	1.4
95.06111	2.4
95.08621	1.9
96.02453	1.2
96.04518	1.3
96.06886	6.6
96.08127	2.2
97.01717	2.0
97.02886	8.6
97.07667	2.2
98.01312	1.8
98.06071	1.3
98.97597	3.7
99.02954	0.9
99.04462	4.5
100.02506	3.5
101.00888	13.7
101.01602	1.8
101.02567	2.8
101.03479	1.0
102.02415	7.6
102.52494	1.2
103.00645	3.7
103.02447	15.9
103.03131	1.0
105.00374	4.4
105.02136	1.3
107.00160	1.8
107.01749	1.1
108.02428	3.2
109.02863	8.2
109.06529	3.1
109.07652	4.7
109.10233	0.8
110.01307	2.4
110.03196	1.8
110.06034	1.2
110.07145	1.1
111.00816	3.6
111.02898	5.5
111.04473	3.8
113.00848	1.6
113.05998	1.0
114.05528	2.0
115.00617	4.0
115.02444	3.8
116.02101	1.0
116.98630	4.9
117.02132	1.6
118.01122	1.5
118.02805	0.9
118.03539	4.6
119.01920	100.0
119.03658	2.7
120.02009	8.4
120.03355	4.8
121.01672	27.7
121.02559	1.8
121.03470	11.0
122.02104	1.2
122.03592	0.8
123.01431	1.8
123.04453	4.4
123.06367	1.2
123.08022	1.5
123.09216	1.1
124.01482	1.0
124.03961	1.6
124.07719	1.7
124.08725	9.9
125.02643	0.8
125.06011	1.2
126.03121	6.1
126.03951	0.9
126.10273	1.6
127.02438	2.0
127.03893	2.8
127.07603	1.1
128.02237	2.0
128.04292	1.1
128.52531	1.3
128.98642	1.9
129.00345	1.8
129.03951	4.2
131.00185	1.0
131.01898	20.7
131.02827	1.4
132.01976	6.8
133.01651	46.0
133.03438	9.8
133.10222	0.8
134.03625	3.3
134.06020	5.6
134.99672	4.2
135.03235	3.2
136.04544	1.4
137.02968	37.5
138.03069	2.8
139.02698	11.4
139.03653	1.1
141.00529	0.8
141.04050	1.4
141.04283	1.6
141.05463	12.9
142.03490	5.2
143.01906	2.5
144.03249	1.5
144.05090	1.5
144.99852	8.0
145.01662	2.8
145.03467	29.0
145.99986	2.3
146.02768	5.2
146.03697	4.3
146.99637	3.8
147.01389	28.9
147.03142	7.1
147.04967	3.9
149.01192	1.7
149.02960	6.6
150.03073	2.7
151.02728	13.7
151.03963	4.7
151.05862	1.2
151.08676	2.0
152.01869	1.4
152.03392	1.4
152.07071	10.6
154.02548	1.0
155.01932	4.7
155.03668	0.9
156.02052	1.4
156.03279	2.2
157.03452	5.9
158.03680	1.0
159.03146	4.4
159.05022	2.1
160.04570	1.6
161.01108	0.8
161.02982	5.0
162.03139	1.3
162.95836	0.9
162.99107	1.0
163.00877	3.2
163.02637	4.9
163.04549	12.0
164.00983	1.5
164.04695	1.6
165.01031	1.3
165.02477	7.6
165.04289	2.8
165.06114	1.1
168.05135	1.5
169.02281	0.8
169.03517	2.7
169.05034	8.0
169.07468	3.9
169.09822	2.4
170.02997	16.2
170.04414	0.8
170.06706	1.6
170.08009	1.6
170.09308	4.3
171.01404	1.0
173.02991	12.2
174.03149	2.3
175.02806	1.3
175.04544	3.8
177.00702	1.3
177.02583	1.1
177.04243	1.3
178.72046	0.8
185.02924	1.1
186.99174	1.2
187.00972	1.4
187.02750	5.5
187.04558	6.0
187.06070	1.7
187.08148	1.3
188.04062	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1131
Annotation	2-Dimethylamino-5,6-dimethylpyrimidin-4-ol
Peak:m/z	Relative Intensity
53.03936	0.4
55.01852	0.3
55.05506	0.5
56.05012	0.6
56.96548	0.6
57.03423	0.2
57.07066	3.2
59.06087	0.2
59.10230	0.1
62.14961	0.1
65.03920	0.3
67.05492	0.8
67.93558	0.4
68.05016	0.3
68.99781	0.2
69.03423	0.3
69.07059	5.0
70.04070	5.9
70.06570	0.6
71.04990	0.3
71.60036	0.2
71.60471	0.2
72.08147	0.4
73.04030	0.4
79.05482	0.5
80.04993	0.4
81.03413	0.9
81.04501	0.2
81.07038	1.5
82.04056	1.1
82.06562	0.4
83.01318	0.2
83.04837	2.7
83.06076	0.3
84.04481	0.2
84.05617	0.2
84.08124	0.3
84.93811	0.4
85.04018	12.0
85.94601	0.4
86.06049	0.3
86.08446	0.2
92.53188	0.2
93.07028	0.3
94.06541	0.6
95.04944	0.2
95.06054	0.3
95.08572	0.5
96.04456	0.2
96.08118	0.4
97.02849	0.3
97.06526	0.2
97.07629	0.5
98.06052	0.4
98.09678	1.9
99.04469	0.2
99.05566	0.2
99.08080	1.9
102.94836	0.6
103.95623	0.5
105.07033	0.3
106.06571	0.2
107.08601	0.2
108.04447	0.3
108.08900	0.4
109.02880	2.0
109.06509	1.2
109.07639	0.8
109.10154	0.2
110.06029	0.3
110.07146	0.3
111.00797	1.1
111.04401	0.7
111.05566	0.2
111.08037	0.2
111.09193	0.5
112.03951	0.2
112.05066	0.5
112.07533	0.2
118.94331	0.2
119.01898	0.8
119.95078	0.3
120.95876	0.2
122.06023	0.8
122.09637	0.2
122.10472	0.2
123.04415	0.5
123.08054	0.5
123.11672	0.2
124.07536	0.2
124.08608	0.2
125.96375	0.4
126.03125	1.8
126.05497	0.5
126.06519	0.3
127.03893	0.3
137.02942	0.3
140.07030	0.6
140.95189	0.2
141.05452	4.6
141.06924	0.4
143.97432	0.3
144.95840	0.9
144.98151	0.2
145.06462	0.2
150.05489	0.9
151.03851	0.3
153.08948	1.0
162.96895	0.7
162.99110	0.3
163.97681	0.5
167.61935	0.3
168.06580	1.4
168.11302	100.0
168.95920	0.2
169.04945	1.7
169.06419	0.4
169.08630	0.3
169.11699	3.2
177.14717	0.2
181.98738	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03761	0.5
53.03998	1.7
55.05529	0.7
56.05069	0.8
56.96608	7.7
57.03479	1.6
58.99863	4.5
59.04956	0.5
60.78429	0.5
62.06086	7.5
65.03975	0.5
67.05499	5.0
67.92165	1.2
67.92504	25.1
68.05054	0.8
69.03475	0.9
70.06228	0.4
70.06625	1.5
70.35668	1.0
71.05000	1.0
72.93805	0.8
73.02962	1.7
77.00900	3.2
78.96811	0.7
79.05534	1.9
80.05023	0.6
81.03460	1.0
82.06602	0.8
82.94370	1.6
82.94834	44.7
83.06131	0.6
84.08176	0.8
84.96062	1.0
85.02946	1.4
85.93549	4.9
89.00829	0.6
94.06561	13.8
95.01966	1.1
95.04958	1.3
95.06123	1.2
96.05611	1.0
96.08140	0.6
97.02895	1.2
97.07661	0.6
98.06100	0.5
98.97582	6.9
99.04491	1.2
100.02539	0.9
100.95866	6.0
101.00912	1.1
105.07094	1.0
106.04082	2.1
106.06539	4.0
107.04944	34.2
108.04527	0.6
108.05247	0.9
108.17543	0.5
109.02903	1.5
109.05209	1.0
109.06541	0.6
109.07667	1.1
110.01252	0.7
110.97596	1.5
113.04646	0.6
116.98610	6.1
118.03536	1.9
119.01888	7.4
121.01719	1.5
121.06504	2.0
122.06022	13.0
122.09671	1.4
123.03059	0.7
123.06682	1.5
123.09211	0.6
123.97443	27.3
124.07603	0.6
125.07046	0.8
126.03128	1.0
126.05554	0.7
126.93770	22.1
127.02457	1.0
127.03912	1.0
128.02304	5.4
128.98615	2.9
131.01903	0.8
133.01691	0.6
133.05089	3.0
133.06522	0.9
134.06001	0.9
134.99677	2.9
135.03178	0.5
135.05048	1.1
136.04532	0.7
137.02905	2.7
140.07033	0.7
141.05467	1.3
144.05019	0.8
144.94812	13.3
144.95836	1.3
144.98044	0.7
145.01723	0.7
145.03448	15.1
146.03653	0.8
146.99605	3.9
150.05492	100.0
151.06020	6.1
152.07082	1.4
158.99623	1.3
162.95860	31.2
163.04507	24.9
164.04630	1.6
167.96428	5.0
168.03725	0.7
168.05150	1.5
168.06529	17.3
168.08760	2.5
168.10141	0.9
168.11328	6.6
170.99643	0.8
173.01166	0.6
177.00677	1.2
180.96907	1.5
185.97458	7.5
186.06059	1.1
186.09799	0.7
189.00653	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.8
55.01862	2.9
55.05500	4.1
56.05039	5.3
56.96561	100.0
57.03429	2.2
58.06598	3.4
59.04981	1.4
59.06118	3.5
60.04522	1.8
64.35003	1.1
65.03932	8.5
67.05499	9.0
67.92504	4.3
67.93562	2.1
68.05022	5.8
68.99783	4.7
69.03413	5.0
69.07064	26.4
69.88783	6.6
70.02947	1.5
70.04179	1.4
70.06590	19.3
70.98117	23.7
71.04990	11.7
71.06116	1.4
71.95268	1.2
72.04535	1.6
72.08155	3.2
72.93775	1.4
73.02885	1.3
74.97598	11.7
79.05499	5.6
80.05014	4.4
81.03423	13.9
81.04531	2.9
81.07047	5.2
82.05312	1.5
82.06584	6.7
82.94843	12.0
83.01331	1.5
83.04979	2.6
83.06088	5.1
83.06897	1.2
84.04504	4.7
84.08135	4.5
84.93823	3.0
84.96033	2.1
85.02915	2.6
85.06555	1.1
85.07660	1.9
85.93528	1.2
85.94615	1.3
86.06059	2.5
87.04478	1.4
87.98512	1.0
88.99152	27.8
91.00515	1.7
92.98627	5.3
94.06562	16.3
95.01355	1.0
95.04968	8.3
95.06106	5.7
95.08594	1.2
96.04491	2.3
96.08110	3.1
97.02881	4.2
97.06516	10.2
97.07647	4.8
97.99162	1.4
98.03677	2.4
98.06044	4.1
98.97598	2.6
99.04447	4.1
99.05559	1.7
99.09203	2.0
100.01057	1.3
100.03980	1.1
100.95868	2.5
102.94843	5.9
103.02306	6.2
103.95625	1.1
105.02036	1.3
105.07069	2.0
106.06554	3.5
107.00192	19.2
107.01787	1.8
107.04939	3.2
108.04506	2.5
108.08099	2.0
109.02875	19.5
109.06538	2.0
109.07633	17.4
110.03696	1.2
110.06049	4.5
110.08500	2.0
111.00805	10.3
111.03788	1.5
111.04448	13.3
111.05163	1.2
111.05567	2.8
111.09229	6.5
112.01045	1.6
112.02833	31.7
112.04003	1.8
112.07603	9.1
113.05981	4.2
116.98605	2.5
118.94297	1.3
119.01872	1.7
119.95067	1.5
120.08102	1.5
120.95889	1.8
121.01633	4.0
121.03372	12.9
121.96691	1.8
122.06024	15.1
122.06936	1.7
122.08782	1.7
122.09653	2.2
123.04446	6.4
123.05551	2.0
123.08051	3.4
123.09139	5.1
123.53625	3.7
123.97454	7.6
124.02822	3.0
124.03809	1.3
124.04728	1.5
124.07594	2.2
124.08582	1.7
125.01234	4.6
125.04647	1.1
125.05996	3.7
125.07116	3.3
125.10754	1.5
125.96439	3.1
126.03139	16.1
126.05518	5.7
126.06564	1.6
126.09167	1.3
126.10269	2.3
126.12807	3.4
126.93784	3.7
127.03929	3.9
127.08663	2.9
128.09433	1.3
131.03613	5.5
132.04448	1.3
133.01755	2.4
133.03320	25.1
133.04201	2.4
133.07545	1.5
133.53540	1.9
134.04913	3.3
134.06024	1.5
134.99605	3.1
138.02592	2.0
138.04367	1.8
138.10286	1.5
138.54733	6.2
139.04950	1.2
140.03445	1.6
140.07054	16.8
141.05458	39.1
142.03880	4.1
143.05429	1.6
143.97482	4.8
144.54124	3.1
144.94855	1.9
144.95769	7.1
145.01689	4.9
145.03593	1.7
146.05940	2.3
146.99649	4.7
147.03226	16.1
147.04405	1.4
147.04921	1.2
149.01241	1.1
150.04414	1.8
150.05493	45.5
150.09116	2.8
150.10287	5.0
151.03906	3.7
151.05000	1.8
151.07635	1.2
151.08667	6.8
151.10597	1.9
153.01857	2.5
154.02626	3.0
156.03401	1.2
157.05161	1.6
159.04913	11.7
162.95757	7.8
162.96951	4.7
162.99208	3.4
163.02779	5.5
163.97716	3.3
165.00714	10.0
165.04350	7.6
168.05403	13.2
168.06590	20.1
168.07735	2.0
168.10141	3.4
168.11346	11.3
168.13811	4.7
168.55630	2.2
169.01797	1.1
169.03654	2.0
169.04950	13.8
169.09744	1.9
170.55717	1.2
171.03291	1.8
175.02802	3.0
177.04413	3.2
179.05875	1.0
179.56238	1.6
181.03716	1.3
181.98796	1.9
183.01830	1.4
185.97322	1.5
187.02838	3.4
189.04324	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	168.0655
Annotation	3-Hydroxy-4-methylanthranilate
Peak:m/z	Relative Intensity
53.03954	0.9
53.05017	0.4
55.01892	0.6
55.05530	0.6
56.96560	11.0
57.03466	1.2
58.99860	4.0
59.99969	0.6
60.00320	0.3
60.04541	1.1
61.02953	0.6
62.06087	6.2
65.03972	1.0
65.39172	0.4
67.05502	6.3
67.05807	0.5
67.92504	20.4
68.01443	0.4
68.05052	0.5
69.03458	1.3
69.69228	2.8
71.05022	1.7
71.95283	0.7
73.02940	1.7
77.00898	3.0
77.03924	0.5
79.05521	1.9
80.05008	0.9
81.03450	1.3
82.06605	0.5
82.94838	33.5
83.00813	0.9
84.04527	0.6
84.08186	0.6
84.93847	0.6
84.96054	1.5
85.02938	1.5
85.93543	4.6
86.06084	0.5
88.33361	0.5
89.00812	0.4
90.01582	0.6
93.05816	0.5
94.06558	19.1
95.04977	1.6
95.06098	0.7
96.05633	1.1
97.02916	1.5
98.21380	0.9
98.97578	14.4
99.02101	0.4
99.04470	1.3
100.02487	1.0
100.95863	2.9
101.00822	0.8
105.07044	0.5
106.04047	2.6
106.06556	6.3
106.07129	0.5
107.04947	26.6
108.04443	0.5
108.05279	1.0
109.02922	1.2
109.05178	1.7
109.07637	0.6
110.01322	1.3
110.97565	3.1
113.04715	0.5
115.02424	0.6
116.98616	9.9
117.03966	0.5
118.03533	1.7
119.01851	5.8
121.06474	1.0
122.06021	15.2
122.09646	0.6
123.04460	0.9
123.06617	1.6
123.09180	0.6
123.97440	17.4
125.07011	1.5
126.00761	0.5
126.03152	0.6
126.93763	15.0
128.02310	4.3
128.98604	5.0
131.00122	0.5
131.01857	0.5
132.11433	0.4
133.01672	0.8
133.03528	0.7
133.05081	4.3
133.06509	0.7
134.06015	0.9
134.99643	3.8
136.04546	0.8
137.02905	1.5
139.53136	0.5
140.07013	0.7
141.05496	0.7
143.00197	0.8
144.94809	9.1
144.95819	0.6
144.98012	0.5
145.01714	0.6
145.03458	10.5
146.03604	0.4
146.99641	3.9
147.03189	0.5
150.05492	100.0
150.07652	2.9
151.06097	7.9
158.99681	1.8
159.03079	0.5
161.01129	0.7
162.95857	19.3
162.99063	0.8
163.04509	15.3
164.04663	1.2
165.00671	0.5
165.04361	0.4
167.96390	3.9
168.05112	0.8
168.06534	13.9
168.08739	2.3
168.09962	0.6
168.11293	3.3
170.99594	1.0
177.00700	2.1
180.96889	1.2
185.97478	4.4
186.06071	1.1
189.00674	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.143
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.00293	1.7
53.03935	4.4
55.01856	2.2
55.05509	23.1
56.05018	1.7
56.96567	7.2
57.03432	3.4
57.07065	5.1
59.04998	3.4
60.69438	1.4
65.03923	2.8
67.05164	2.4
67.05504	36.5
67.93555	2.6
68.05028	2.3
69.03413	6.8
69.07067	23.9
70.04085	1.5
71.04986	35.1
71.19536	3.2
73.06561	16.5
78.04706	2.7
79.05489	23.6
80.05004	1.6
81.03395	1.6
81.07053	31.8
82.06564	4.6
83.04976	7.0
83.08604	9.7
83.93047	1.5
84.93831	11.7
84.96017	9.1
85.06525	3.0
86.06009	1.4
88.16171	1.4
91.05482	11.7
93.07040	44.7
94.06573	3.6
94.07348	1.8
95.04963	6.0
95.08603	100.0
96.08943	2.7
97.06512	8.3
97.10149	1.7
98.06072	2.0
99.00017	8.2
102.94854	19.1
102.97032	3.2
103.00645	2.9
105.07016	6.6
106.06538	4.0
107.04956	3.6
107.06210	1.9
107.06847	8.7
107.08585	54.5
107.34039	1.4
109.02836	2.3
109.06506	5.1
109.07638	2.7
109.10149	20.7
110.06024	3.5
111.04427	2.0
111.08057	7.1
111.09251	1.6
112.08710	1.7
118.96754	2.5
120.95922	3.8
121.00854	2.2
121.01673	29.0
121.02471	1.4
121.06526	3.4
121.08435	5.2
121.10138	26.2
122.07094	2.8
122.09662	4.1
123.04400	4.1
123.08051	2.1
123.11695	7.2
125.05996	2.0
125.08227	1.7
125.09621	4.7
125.96408	11.6
126.99446	11.0
132.04442	1.4
139.02708	15.9
139.07568	3.6
139.08537	2.4
143.97487	6.3
144.03230	17.0
144.95810	14.2
147.98132	1.5
149.02374	1.8
149.05969	2.0
149.08032	1.8
149.09538	2.4
149.13258	22.9
150.05472	3.2
150.09187	1.9
150.10271	2.2
162.04337	7.4
162.96933	3.7
167.03786	7.1
167.04941	2.0
167.05725	1.7
167.07047	13.2
167.08891	19.2
167.10675	7.6
167.13077	2.3
167.14291	13.4
168.02119	41.1
168.06572	3.6
168.10088	2.6
168.11418	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	167.9642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48053	0.8
53.03938	2.4
55.01862	1.3
55.05494	2.4
56.05032	4.0
56.94318	0.9
56.96560	15.9
57.03423	1.6
57.07066	1.0
58.06596	2.2
59.06118	1.6
61.02915	1.1
62.06083	1.2
63.36000	0.7
65.03934	1.7
66.03433	0.8
67.05497	7.1
67.54362	0.7
67.92506	60.4
67.93531	2.0
68.05038	3.5
69.03413	2.9
69.04509	1.0
69.07062	12.1
69.46012	6.0
70.02908	0.9
70.04063	1.0
70.06588	9.1
70.95845	1.5
71.04994	1.1
72.08147	2.4
72.93781	1.8
73.02914	2.1
77.00892	0.8
79.05486	2.9
80.04993	3.0
80.87608	0.7
81.03411	5.6
81.04537	0.9
81.07057	2.3
82.06194	0.7
82.06582	5.6
82.94836	100.0
83.04953	2.4
83.06099	3.5
84.04505	3.8
84.08132	2.8
84.93805	2.5
84.96023	1.8
85.02900	3.2
85.04028	2.4
85.07666	1.6
85.93545	13.2
85.94628	1.1
86.06071	2.3
87.04462	1.3
90.94793	1.0
94.04166	0.7
94.06563	18.1
95.04948	3.4
95.06087	4.7
95.08545	0.8
96.04480	2.9
96.08114	2.0
97.02897	3.4
97.06529	3.2
97.07627	4.6
98.06042	3.7
98.09708	1.1
98.20776	1.8
98.97579	3.2
99.04469	2.1
99.05586	0.8
99.08079	1.4
99.09219	1.2
100.03944	1.4
100.95873	23.1
102.94862	7.8
103.95650	1.5
105.07023	1.7
106.06582	4.4
107.04954	8.1
108.04469	4.0
108.05224	1.0
108.08126	1.1
108.95131	1.0
109.02876	7.5
109.07637	12.7
110.01265	1.4
110.06025	3.7
110.08461	1.9
111.00805	1.6
111.04436	1.4
111.05562	1.2
111.09195	3.5
112.03951	1.7
112.07617	3.8
114.05547	1.2
116.98618	3.4
118.94341	1.0
119.01841	2.4
120.95869	1.9
121.01665	1.5
121.06423	0.8
122.06030	15.1
122.06956	0.9
122.09655	3.9
123.04429	2.4
123.05543	1.3
123.09187	2.8
123.97443	58.9
124.03937	1.3
124.07601	1.6
124.08691	1.5
125.07121	2.4
125.95488	1.5
125.96446	4.2
126.00782	0.9
126.03120	2.2
126.05511	4.5
126.10255	1.7
126.12848	1.3
126.18872	0.8
126.93767	34.8
127.03908	3.3
127.08653	1.4
128.02316	2.1
128.09419	1.1
128.98599	0.8
132.04448	4.6
133.06557	0.9
133.07617	1.8
134.99666	2.9
137.02809	1.5
138.10214	1.1
140.07071	6.9
141.05507	5.6
143.96439	1.4
143.97437	5.0
144.94818	28.0
144.95876	10.3
144.98099	1.7
145.03519	1.8
146.99605	1.3
149.01248	1.1
150.05493	72.5
150.09116	1.8
150.10263	3.1
151.03920	1.9
151.07570	1.1
151.08694	2.8
153.00648	0.9
161.01299	1.1
162.95848	83.3
162.99126	3.4
163.02794	2.5
163.04462	1.7
163.97769	2.1
167.02336	0.8
167.96399	11.0
167.97624	1.1
168.02820	0.7
168.05251	0.9
168.06519	24.5
168.07713	2.4
168.10161	3.6
168.11348	27.2
168.13815	2.7
169.04967	1.5
174.04405	2.1
177.00797	0.9
177.06013	0.9
180.96953	7.0
181.98717	1.5
185.97449	21.6
185.98946	1.2
186.06195	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1429
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03930	2.5
55.01852	3.0
55.05506	43.6
56.05807	0.9
56.96562	17.8
57.03420	8.3
57.07059	3.8
59.04972	1.5
65.03925	1.8
67.05497	53.8
67.93555	1.5
68.05816	1.3
69.03412	1.9
69.07062	100.0
70.07390	2.2
71.04990	14.4
71.08615	1.5
71.59837	1.7
77.03896	1.2
79.05484	32.7
80.05814	1.2
81.03391	1.1
81.07049	67.7
82.06577	1.1
82.07372	1.7
83.04971	6.0
83.06083	1.0
83.08611	85.4
84.08949	1.3
84.93822	2.6
84.96017	2.4
85.06534	10.4
91.05466	8.8
93.07036	49.8
94.06509	1.1
94.07391	1.3
95.04957	3.5
95.08595	18.0
97.06526	24.3
97.10160	4.6
98.56046	1.0
99.08083	4.6
102.94855	4.1
103.05461	1.5
105.07011	4.2
107.04933	1.6
107.08585	45.4
109.06493	2.6
109.07640	1.1
109.10136	7.2
110.06036	1.7
111.06892	1.0
111.08068	23.8
116.97233	1.5
116.98523	1.2
120.95935	1.2
121.01646	3.6
121.02882	1.3
121.08426	1.0
121.10135	22.9
122.10486	1.7
123.04494	1.7
123.11681	3.9
124.08659	1.0
125.05952	1.5
125.09639	5.3
125.96432	2.7
131.08533	1.5
138.05481	1.3
139.02710	2.0
139.11147	1.0
143.97481	2.0
144.03223	3.1
144.06190	1.7
144.95854	1.6
147.11670	1.9
149.02254	1.3
149.09709	2.3
149.13242	71.2
150.05501	1.6
150.13559	2.4
162.04279	1.1
167.03441	1.7
167.05763	1.0
167.07021	6.0
167.08414	2.5
167.10652	3.8
167.14305	60.0
168.06573	2.8
168.10196	2.6
170.45651	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	1.4
53.03931	2.5
53.79206	0.9
55.05505	18.7
56.96552	1.3
57.03426	2.4
57.07074	4.9
59.05005	5.1
65.03951	1.7
67.05501	33.8
69.03415	4.6
69.07064	19.0
69.68851	2.3
69.69253	4.3
71.04990	33.7
72.05292	0.9
73.06553	16.2
73.56272	0.7
79.05481	14.4
79.05906	1.5
81.07052	31.2
82.06599	1.1
82.67758	0.8
83.04968	2.8
83.08612	7.8
84.93822	2.3
84.96066	1.1
85.06526	3.1
87.08105	1.7
91.05478	6.2
93.07038	35.5
93.07626	1.8
95.04939	2.4
95.08599	100.0
96.08909	2.5
97.06546	6.0
98.86625	0.9
102.07356	0.8
102.94857	2.6
103.44894	1.0
105.07014	4.0
107.08589	39.6
108.08919	1.0
109.06522	1.6
109.07597	0.9
109.10147	20.2
111.08066	3.6
121.01655	1.7
121.06483	1.2
121.10136	20.3
123.11712	5.5
125.09614	2.4
125.96435	2.0
139.02673	1.2
143.97469	1.8
149.13249	19.5
150.13596	1.2
152.80254	1.0
160.21922	1.0
162.04237	1.3
167.07042	3.4
167.10670	1.4
167.14311	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	167.143
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.00290	1.9
53.03938	1.3
54.03801	0.8
55.05507	20.9
56.96564	1.2
57.03429	2.1
57.07073	5.8
59.04984	3.8
59.06105	0.8
65.03933	2.4
67.05497	30.5
68.05814	0.8
69.03419	3.4
69.06718	1.2
69.07059	18.7
69.69296	5.7
70.98427	0.9
71.04990	34.6
73.06548	17.3
78.04720	1.0
79.05062	0.9
79.05492	14.0
81.03416	1.2
81.07047	33.2
82.06566	1.3
83.04971	2.0
83.08614	7.0
84.93808	1.4
85.06528	2.5
87.08109	1.6
91.05462	6.2
93.07034	34.9
95.04972	4.0
95.08597	100.0
96.08936	2.8
97.06528	5.6
97.10142	1.6
102.94849	2.1
103.08888	1.4
105.07019	4.5
107.08585	43.4
108.08900	1.4
109.06496	2.4
109.10142	23.1
111.08069	3.7
121.01654	3.1
121.10127	19.7
123.04400	1.2
123.11706	6.7
125.09624	2.9
125.96432	2.2
143.97540	1.2
144.03152	1.0
144.95847	1.7
148.94194	0.8
149.13252	20.9
162.96982	1.4
167.07014	3.7
167.10626	1.9
167.14308	10.9
168.11331	2.7
175.38409	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
62.45892	0.2
70.21588	1.3
70.21931	0.3
70.88073	0.3
77.49185	0.3
79.05489	1.2
84.60049	0.3
91.05451	0.7
93.07047	3.1
95.04970	0.4
98.20782	0.4
103.05469	11.3
107.04950	2.5
120.08106	100.0
121.08447	3.4
131.04906	2.2
149.06024	0.5
166.08653	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0862
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
50.85771	0.1
51.23640	0.1
53.03922	0.1
59.96560	0.2
68.59987	0.1
70.58025	0.1
71.51030	0.3
79.05493	1.2
81.81012	0.1
88.45998	0.1
89.42858	0.1
91.05491	0.9
93.07044	2.4
95.04955	0.3
103.05465	11.3
104.05787	0.3
107.04963	2.1
118.06551	0.2
118.09482	0.2
119.07384	0.2
120.08103	100.0
121.08441	2.9
131.04924	2.7
141.05452	0.2
149.05984	0.4
166.08617	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	3,4'-Dihydroxypropiophenone
Peak:m/z	Relative Intensity
53.03931	0.5
54.03466	0.3
55.01873	1.1
55.05511	1.2
56.05029	1.1
56.94289	0.2
56.96571	1.4
57.03431	0.8
57.07074	0.2
58.06586	0.4
59.06119	1.2
60.04488	0.2
65.03941	3.1
66.03457	0.2
67.05485	0.8
68.05019	1.7
68.99763	0.3
69.03427	1.0
69.04533	0.5
69.07063	1.0
70.04075	0.2
70.06592	1.7
71.04990	0.5
71.57578	0.3
71.58315	0.2
72.08140	0.7
72.93779	0.2
73.02917	8.4
79.05484	2.2
80.05006	0.6
81.03416	1.5
81.04523	0.7
81.07049	1.0
82.02957	0.2
82.06576	2.4
83.04991	1.2
83.06103	1.5
83.08631	0.4
84.04510	0.3
84.08142	1.9
84.96047	0.3
85.02890	0.5
85.04070	0.2
85.07671	0.6
91.03948	0.4
91.05478	2.1
93.03403	0.3
93.04536	0.2
93.07045	2.3
94.06557	0.8
95.04976	2.6
95.06078	0.9
95.08598	0.5
96.04510	0.2
96.05765	0.2
97.02888	0.7
97.04044	0.2
97.06498	0.9
97.07642	1.1
98.06050	0.9
98.07178	0.3
98.09677	0.4
99.04432	0.4
99.09210	0.3
100.05078	0.2
102.94849	0.2
103.05464	0.8
105.04535	0.2
105.07047	0.5
106.04149	0.2
107.04951	1.3
107.06072	0.4
107.08593	1.8
108.04500	0.3
108.05640	0.2
108.06824	0.3
109.02885	2.4
109.06479	0.9
109.07642	4.5
110.06052	1.2
110.07207	0.9
110.08433	2.0
110.09615	0.2
111.04450	4.3
111.05595	0.3
111.08044	0.6
111.09211	2.3
112.07580	0.2
112.08727	0.2
119.01903	0.6
119.04932	3.2
120.08092	0.3
120.95963	0.2
121.02862	100.0
121.06482	4.9
121.07593	0.6
121.08366	1.5
121.10159	1.4
122.03185	2.8
122.06023	0.6
122.07130	1.8
123.04428	0.5
123.05579	0.4
123.08140	0.3
123.09183	1.1
124.05201	0.4
124.08710	1.4
125.05986	0.5
125.07116	0.4
125.08234	0.7
125.09624	0.4
126.05531	0.8
126.06634	0.6
126.10253	0.5
127.03923	0.7
127.07389	0.3
131.01918	0.6
131.04878	0.2
131.08546	0.3
135.04410	0.4
138.06355	0.2
138.10252	0.2
139.02710	1.1
139.03772	0.3
139.07556	0.4
139.08577	0.4
140.07091	0.3
140.08150	0.5
143.01906	0.3
143.96698	0.3
144.03255	0.8
144.95822	0.7
149.02284	1.0
149.05975	17.1
149.06982	0.7
149.09622	0.8
149.13287	0.3
150.05505	0.8
150.06459	0.7
150.10269	4.5
161.02919	0.3
162.04333	0.3
162.96893	0.7
162.99130	0.3
167.03439	0.7
167.06996	2.9
167.08185	0.6
167.09271	0.6
167.10678	1.5
167.12965	1.3
167.14227	0.5
168.02899	0.2
168.06563	0.8
168.07953	0.2
168.11313	0.8
171.70203	0.2
173.02898	0.3
185.03036	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1066
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03940	2.7
55.01860	1.1
55.05506	12.0
56.96568	1.6
57.03416	0.7
57.07070	2.5
57.07318	0.4
59.04997	3.0
65.03919	0.6
67.05495	7.3
67.93550	0.6
69.03422	2.9
69.07060	46.4
70.07394	0.5
70.35590	1.2
71.96776	0.4
73.54870	0.4
74.56710	0.3
77.03908	0.5
79.05485	18.4
80.05811	0.5
81.07047	13.6
82.06577	0.4
83.04967	3.1
83.08604	1.9
84.93812	1.6
84.96023	1.1
85.06508	0.6
91.04893	0.7
91.05470	13.3
93.07032	83.7
94.06639	0.3
94.07383	1.3
95.04967	4.4
95.08595	13.7
97.06519	7.3
97.10145	1.3
102.89600	0.4
102.94849	2.5
103.00658	0.6
103.05457	2.2
105.04508	0.5
105.07018	22.5
106.07799	1.2
107.04939	1.3
107.06030	0.4
107.08589	4.2
109.06506	1.2
109.10153	1.2
110.05992	0.5
111.04481	0.8
111.08068	0.8
111.11700	7.5
119.08572	4.3
120.05730	0.5
120.95879	0.4
121.01645	4.5
121.06487	1.4
121.10128	100.0
122.10445	2.1
123.08050	6.8
123.11690	0.8
125.09610	0.9
125.96459	1.7
131.08557	0.6
133.07599	2.1
138.06723	0.4
139.02664	2.2
139.11168	2.8
143.97490	0.9
144.03185	2.2
144.95857	1.2
149.09602	14.3
149.13213	0.9
162.04272	1.2
162.96901	0.8
167.07002	1.2
167.10652	27.7
167.14250	1.8
167.97404	0.4
168.11282	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.143
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
51.02382	0.8
52.45680	0.9
53.03946	2.9
55.01861	2.7
55.05510	43.5
56.96565	10.5
57.03431	8.9
57.07065	3.7
59.04994	1.0
65.03934	1.7
67.05505	49.0
69.03429	1.5
69.07067	100.0
70.91451	1.1
70.91786	2.1
71.04994	14.3
71.08633	1.3
79.05489	28.2
80.05846	1.1
80.26579	1.0
81.03389	1.6
81.07056	64.2
82.06561	1.8
82.07388	1.3
83.04971	9.7
83.08617	77.9
84.08134	2.6
84.08961	1.7
85.06547	11.5
86.38378	0.9
91.05476	6.4
93.07043	46.0
94.07364	1.5
95.04954	3.0
95.08607	19.0
97.02861	1.3
97.06534	19.2
97.10161	5.1
99.08070	4.9
99.43109	1.0
105.07056	1.6
107.08596	40.7
108.04501	1.2
108.08884	1.5
109.02912	5.2
109.06563	1.3
109.10152	6.1
110.06059	1.6
111.08080	23.4
121.01642	3.2
121.08473	1.1
121.10142	16.7
122.06032	1.4
122.10489	1.1
123.11677	4.2
125.05975	1.2
125.09636	4.1
131.08461	1.3
139.02719	1.8
139.07607	1.2
139.08638	1.4
140.03421	0.9
143.96790	1.3
144.03217	2.4
149.02399	1.1
149.05881	1.2
149.07013	1.0
149.09602	1.5
149.13257	58.2
150.05457	1.3
150.13538	2.2
162.04311	1.0
167.03416	1.8
167.06963	2.1
167.10681	3.3
167.14320	50.2
168.06528	1.8
168.11385	1.8
168.14694	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	166.0864
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
51.02378	0.1
53.03941	0.3
54.04252	0.2
55.01860	0.5
55.05516	0.1
56.05033	1.6
56.31582	0.1
56.96558	0.6
57.03426	0.4
58.99862	0.3
60.05649	0.6
65.92636	2.5
66.92739	0.2
67.05505	0.4
68.05039	0.2
69.03436	0.8
69.07070	0.3
69.97118	0.6
70.06599	1.9
71.05001	0.2
73.02904	0.7
74.02441	3.4
74.06091	0.2
75.02711	0.7
77.00894	0.5
77.03915	0.2
79.05492	1.6
80.05024	0.7
80.94967	3.8
81.03413	0.6
81.95081	0.3
82.06569	0.4
83.93671	0.4
84.04497	0.4
84.08130	0.4
85.02902	0.3
86.99334	0.3
87.02710	0.2
89.00860	0.2
91.05464	1.2
92.05792	0.4
93.07056	2.5
93.51934	0.2
94.06558	0.4
95.01936	0.3
95.04968	0.9
95.06095	0.4
96.04478	0.5
96.05279	0.7
96.08101	0.1
97.02880	0.3
98.83299	0.1
98.96019	0.7
100.02515	0.2
101.00873	0.8
102.00980	0.2
102.05558	0.5
103.00630	0.2
103.02441	0.2
103.05468	12.7
104.05800	0.4
105.00383	0.6
105.03739	0.3
107.04965	2.6
107.96026	0.6
108.04488	0.3
109.02877	0.3
110.02396	0.5
110.06032	0.5
111.02897	0.3
111.04419	0.3
112.02715	0.2
113.00886	0.3
115.02439	1.8
116.98647	0.1
118.03524	0.2
118.06528	0.1
119.01929	5.6
120.02023	3.4
120.08109	100.0
121.01643	1.6
121.02322	0.2
121.07669	0.2
121.08444	3.2
121.97570	2.3
122.06040	0.3
122.97700	0.2
123.04421	0.4
124.03947	0.3
124.04768	0.9
124.07549	0.2
124.93917	1.4
130.05020	0.2
131.00896	0.2
131.01909	4.2
131.04932	2.1
132.02013	0.3
133.01657	0.4
133.03459	1.6
136.07576	0.6
137.02951	1.7
138.03067	1.7
138.05507	0.5
138.10307	0.2
139.02634	0.7
139.08652	0.3
142.03497	0.5
142.94933	0.9
143.01910	1.1
143.03642	1.7
144.03241	0.5
145.03476	0.7
148.04800	0.4
148.07588	0.2
149.02965	1.5
149.06000	0.5
149.07089	0.3
154.03455	0.2
157.03513	0.4
160.04607	0.3
160.96001	2.8
161.01270	0.4
161.02977	3.8
161.04694	0.7
161.06693	0.1
161.96242	0.3
162.03137	0.3
163.04518	0.2
165.96629	0.3
166.04950	1.2
166.07310	0.3
166.08647	2.5
166.09819	0.3
167.08174	0.2
173.03050	0.3
173.48260	0.1
174.03227	0.2
175.02679	0.1
175.11922	0.3
179.04016	0.9
183.64404	0.1
183.97632	0.5
184.04556	0.3
185.02950	0.5
186.03169	0.2
187.02824	0.2
187.04527	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0863
Annotation	5-(3-Pyridyl)-2-hydroxytetrahydrofuran
Peak:m/z	Relative Intensity
53.03934	0.7
55.01875	0.5
55.05506	1.7
55.77058	0.4
56.96558	5.7
57.93545	0.4
65.03928	0.8
67.04239	2.7
67.05502	2.6
68.05013	0.8
69.03423	0.8
69.07061	1.5
69.94351	2.1
70.06587	0.6
79.05487	3.5
80.05007	6.9
80.94952	0.5
81.03400	0.6
81.05790	12.1
81.07053	2.1
82.06573	79.3
83.04970	0.7
83.06902	1.3
83.08595	0.5
83.93035	3.7
84.93818	0.7
84.96043	2.2
85.02876	0.5
91.05465	3.7
92.05788	1.1
92.95758	0.5
93.05782	0.8
93.07049	6.6
94.06570	3.0
95.04951	2.4
95.06086	0.6
95.07338	2.6
95.08585	1.2
96.04530	0.7
96.05230	0.6
96.08117	1.0
96.08937	0.4
97.02869	0.5
97.06571	0.7
101.00881	0.5
101.94084	1.3
102.02227	2.0
102.94881	2.3
102.95489	0.6
102.97069	0.9
103.05449	3.8
105.05791	0.7
105.07019	0.7
106.06545	1.6
107.04955	1.3
107.08576	1.5
108.04473	0.9
108.08105	1.1
110.06027	1.4
110.09670	27.4
111.08086	0.5
111.10007	1.0
115.96421	2.7
116.97215	2.9
118.06491	0.8
119.01920	4.6
119.95124	3.5
119.97265	0.7
120.01997	10.7
120.03197	2.8
120.05251	1.2
120.08098	26.8
120.95891	0.6
121.01646	3.9
121.06503	1.1
121.08443	0.5
121.10157	2.0
121.97552	0.4
122.06021	2.4
122.07115	0.6
123.06786	1.4
123.08034	0.4
124.07584	0.6
124.08701	1.0
125.02326	0.5
125.05973	0.6
125.96402	0.7
128.04698	0.5
128.97826	1.7
129.32730	0.4
129.47964	0.5
131.04872	0.6
133.97469	1.8
136.07574	1.6
137.02962	2.7
137.08319	1.1
137.98363	3.9
138.03029	6.0
138.05502	3.1
138.09135	6.5
138.10118	0.4
139.02644	2.6
139.08630	0.7
140.48628	0.8
142.03494	1.1
142.96687	15.2
143.00175	0.5
143.03616	7.4
143.96596	0.7
143.97571	0.5
144.03186	3.3
146.98831	0.6
148.03720	0.7
148.04747	1.8
148.07555	4.2
149.02335	1.2
149.05986	0.5
149.09567	0.6
149.49120	1.0
150.05481	4.5
151.06268	3.8
152.06087	0.7
154.65919	0.5
160.04582	0.8
160.95950	0.7
161.01170	1.9
161.04669	4.4
162.04282	1.6
164.07065	1.2
165.98285	1.4
166.05008	3.7
166.08621	100.0
167.03406	0.6
167.06990	2.3
167.08893	3.0
167.10634	1.3
180.38869	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0863
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
50.01590	0.1
51.02384	0.1
53.03931	0.1
55.01862	0.1
55.05510	0.1
56.05011	0.1
56.96560	0.4
57.60449	0.1
65.03925	0.1
67.05502	0.1
68.05012	0.3
69.03432	0.1
70.06584	0.2
70.92236	0.2
74.02423	0.1
77.03924	0.2
79.05490	1.9
80.05009	0.3
80.05833	0.1
80.94952	0.1
81.03429	0.1
81.04559	0.1
81.07043	0.2
82.06580	0.2
83.06100	0.2
83.93040	0.3
84.08167	0.1
84.93842	0.1
84.96032	0.1
85.07664	0.1
87.04443	0.1
90.68161	0.1
91.05476	1.2
92.04971	0.1
92.05803	0.2
93.07041	2.9
93.55614	0.1
94.06562	0.3
94.07354	0.1
95.04980	0.5
95.06056	0.1
95.07365	0.1
95.08593	0.1
96.08133	0.1
97.06541	0.1
97.07634	0.2
98.06025	0.1
101.94120	0.1
102.00911	0.1
102.94875	0.1
103.05465	11.9
104.05797	0.4
105.04523	0.1
105.07030	0.2
107.04955	2.6
107.06050	0.2
107.08572	0.2
108.04504	0.1
108.08130	0.1
109.06490	0.1
109.07661	0.3
110.06042	0.2
110.08405	0.1
110.09677	0.1
111.09192	0.1
115.96466	0.1
116.97202	0.2
118.06538	0.2
119.01897	0.3
119.07349	0.1
119.84738	0.1
119.95139	0.2
120.02045	0.7
120.08100	100.0
120.27031	0.1
121.01665	0.3
121.02898	0.1
121.06504	0.3
121.07696	0.2
121.08437	2.6
121.10177	0.2
121.97591	0.1
122.06003	0.1
122.07138	0.1
123.04425	0.2
123.09160	0.1
124.07633	0.1
124.08694	0.4
125.05985	0.1
125.07101	0.1
125.08238	0.1
131.04916	2.2
132.05264	0.1
136.07628	0.1
137.02983	0.2
137.05936	0.1
137.98344	0.2
138.02992	0.4
138.05495	0.2
138.09111	0.5
138.10045	0.1
139.02682	0.2
139.08717	0.1
142.96690	1.2
143.00066	0.1
143.03619	0.4
143.04666	0.1
143.96655	0.1
144.03236	0.2
148.04778	0.7
148.07547	0.2
148.08682	0.2
149.02316	0.1
149.06012	0.6
150.10239	0.1
160.96025	0.1
160.97414	0.1
161.01253	0.1
161.04732	0.2
162.04288	0.1
166.04962	0.4
166.08595	1.6
166.09784	0.3
166.12160	0.1
167.03339	0.2
167.07021	0.3
167.10580	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	166.0862
Annotation	Phenylalanine
Peak:m/z	Relative Intensity
53.03936	7.0
54.03452	1.4
55.01870	5.8
55.05497	3.2
56.05033	4.8
56.96549	2.2
57.05797	1.0
58.06584	1.4
59.06111	1.3
65.03938	8.0
65.92606	1.0
67.05501	26.0
68.05008	3.5
69.03410	3.8
69.04564	1.1
69.07043	1.7
70.06588	4.6
71.59870	1.9
72.08155	1.1
77.03928	1.5
79.05491	17.7
80.05016	6.4
80.05796	1.1
81.03382	3.3
81.04520	2.2
81.05806	1.0
81.07032	3.5
82.06570	7.9
82.07367	1.6
83.04944	2.7
83.06096	5.4
83.93021	4.4
84.04490	1.7
84.06439	1.1
84.08128	2.0
85.02882	1.5
85.07671	1.3
91.05476	15.8
92.04969	2.3
92.05795	5.2
93.03392	1.5
93.07040	25.4
94.06564	10.9
94.07145	1.2
94.07349	0.9
95.04966	70.1
95.06034	4.2
95.08578	3.7
96.04453	3.4
96.05257	2.3
96.06861	1.2
96.08094	4.1
97.02886	1.5
97.06491	3.3
97.07633	4.1
98.06035	1.4
98.07169	1.2
101.94069	0.9
102.94884	1.1
103.05458	23.0
104.05789	1.0
105.03410	1.3
105.04500	1.8
105.05687	1.0
105.07030	2.1
106.06522	2.5
107.04945	14.6
107.06062	3.3
107.07311	1.5
107.08569	4.9
108.04459	1.3
108.08055	3.3
109.02893	9.7
109.05191	1.3
109.06480	3.1
109.07629	7.2
110.03631	3.7
110.06049	9.7
110.08402	2.1
110.09654	4.1
111.04472	2.0
111.05580	1.2
111.09182	3.0
118.06512	1.4
118.07333	1.0
119.01889	4.0
119.04907	2.1
119.24301	1.0
119.95090	1.8
120.02003	9.7
120.04420	2.7
120.05287	5.5
120.08102	100.0
121.01627	4.0
121.02880	16.2
121.06500	90.4
121.07474	3.5
121.08367	3.0
121.10101	3.1
121.97487	1.4
122.06041	18.6
122.06939	3.4
123.04430	25.2
123.05392	1.4
123.06303	1.5
123.09191	2.0
124.03905	1.8
124.04847	1.0
124.06615	1.0
124.07558	5.2
124.08662	8.7
125.05969	4.4
125.07075	3.4
125.08220	2.1
126.07859	1.0
130.06509	2.0
131.04895	7.6
133.05188	3.6
136.07574	5.8
137.02945	1.5
137.05923	1.5
137.08311	1.1
138.03056	6.1
138.05457	7.9
138.06422	1.8
138.09131	36.0
138.10173	2.4
139.02657	2.2
139.07590	1.5
139.08580	2.0
142.96680	15.0
143.03644	6.3
144.03203	1.5
148.03687	5.6
148.04753	6.7
148.07521	20.1
148.08670	5.4
149.02353	5.5
149.05943	10.0
149.07086	2.1
149.08194	1.1
150.10272	5.1
153.04027	1.3
155.31749	1.0
161.01208	2.2
161.04675	3.1
162.04199	1.0
165.06934	1.2
166.04947	26.2
166.07401	2.4
166.08592	43.3
166.09738	5.6
166.12125	3.1
166.15915	1.4
167.03394	14.2
167.05562	1.5
167.06996	8.0
167.09212	2.3
167.10637	2.3
167.12907	2.0
186.24500	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03936	2.1
55.01869	12.3
55.05505	10.9
56.96565	10.1
57.03427	8.0
57.07063	2.9
65.03926	2.5
67.05498	48.5
68.05808	0.9
69.03419	10.2
69.07063	9.2
70.75283	2.6
71.04980	2.2
79.05488	41.3
81.03418	2.1
81.07050	84.0
82.07371	2.6
83.04969	11.4
83.08600	2.3
83.93027	2.3
85.02893	1.0
85.06538	5.3
91.05473	52.1
92.05805	2.2
93.07036	43.9
94.07390	1.0
95.04958	24.8
95.08600	28.9
97.06528	10.2
99.08096	1.0
100.02480	2.5
101.00874	6.8
101.02572	2.5
102.02249	1.3
103.05456	1.9
105.07021	77.4
106.06574	1.0
106.07340	2.3
107.04967	1.2
107.08586	28.8
109.06512	18.0
109.10131	8.3
111.04465	1.0
111.08090	1.4
112.02851	1.1
115.96425	2.1
116.97202	2.2
117.06988	1.8
118.03539	1.1
119.01915	68.6
119.03616	3.0
119.04930	11.2
119.08571	62.0
119.95126	1.0
120.02016	6.3
120.03218	1.5
120.08092	7.1
120.08900	2.1
121.06487	1.6
121.10132	64.8
122.07229	2.1
122.10479	3.1
123.04422	1.1
123.08063	11.4
123.11693	9.2
124.02416	2.1
124.07560	1.5
125.01481	1.1
127.07567	1.9
128.97806	1.6
129.06969	2.1
130.07774	3.5
133.97496	1.1
136.07619	1.0
137.02950	37.3
137.05965	1.9
137.09627	8.3
137.13179	1.9
137.98364	2.6
138.03015	2.5
138.09171	0.9
142.03487	45.8
142.96675	9.1
143.03613	4.1
143.05403	1.5
145.10081	1.9
147.04396	20.2
147.11670	100.0
148.04819	1.2
148.12024	5.2
152.05913	1.2
160.04538	20.1
161.01224	1.2
161.04668	2.2
165.01863	1.5
165.04741	3.1
165.05212	2.9
165.07759	2.5
165.09029	9.4
165.12746	93.2
166.04974	2.9
166.08609	4.3
166.13144	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	165.1274
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
53.03939	3.5
55.01870	8.0
55.05509	10.7
56.96328	0.8
56.96566	7.5
57.03437	7.7
57.07061	1.2
59.05000	1.0
64.29784	0.8
65.03934	1.7
67.05503	49.7
69.03438	6.1
69.07060	8.0
70.06595	1.1
70.94915	1.7
70.95260	1.6
71.04975	2.2
72.61593	0.8
75.36806	0.9
79.05488	40.8
80.05009	1.7
80.05807	1.1
81.03413	3.3
81.07054	83.5
82.07380	1.9
83.04982	9.3
83.08615	1.1
83.93017	3.0
85.06546	8.4
88.08243	0.8
91.05477	52.2
92.05802	2.5
93.07041	43.5
94.07364	1.0
95.04970	12.6
95.08601	26.5
97.06525	11.5
99.08092	1.4
101.00864	3.5
103.05424	1.3
105.07025	81.8
106.07343	3.3
106.80394	0.8
107.08588	24.9
109.06516	19.4
109.10141	6.2
116.97198	1.3
117.07031	2.2
119.01913	38.6
119.04939	5.9
119.08575	60.1
120.02010	3.0
120.08073	5.2
120.08925	2.6
121.06490	1.3
121.10136	59.5
122.07204	1.5
122.10477	2.2
123.04394	1.2
123.08068	11.2
123.11703	9.3
136.07594	2.0
137.02960	20.2
137.05974	2.2
137.09627	6.5
137.10558	1.0
137.13263	2.5
138.02989	1.7
138.05458	1.3
142.03494	20.4
142.96689	6.4
143.03586	1.5
144.21359	1.0
145.10132	2.6
147.04427	6.5
147.07996	2.0
147.11682	100.0
148.12003	4.2
160.04538	9.2
161.01143	1.1
164.10164	1.0
165.01787	1.1
165.05447	1.2
165.07814	2.1
165.09097	3.9
165.12746	87.7
166.05008	2.4
166.08630	4.5
166.13098	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	165.1275
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
53.03936	0.4
55.05509	3.3
56.96557	1.2
57.03436	0.5
64.77209	0.3
65.03934	0.6
67.05499	3.7
69.03423	1.6
69.07063	2.2
70.06551	0.2
70.99642	0.6
71.04993	0.5
74.93818	0.3
77.03949	0.2
79.05494	2.6
81.03411	2.0
81.07050	6.4
82.06570	0.3
83.04987	1.2
83.08608	3.2
83.93031	0.8
85.02915	0.4
91.05476	3.5
93.07052	1.9
94.06530	0.3
95.04964	100.0
95.08598	3.7
96.05297	2.2
97.06561	0.3
101.00853	2.2
101.94073	0.2
103.05496	0.6
105.07024	3.6
106.06564	0.3
107.04976	0.3
107.07874	0.4
107.08596	7.6
108.08909	0.4
109.06512	18.4
109.10151	2.5
110.06882	0.5
111.04475	0.3
115.96494	0.4
116.97209	0.3
118.03482	0.5
119.01917	18.7
119.04917	2.5
119.08587	4.2
119.95135	0.3
120.02013	1.1
120.08105	1.3
121.06480	0.4
121.10129	2.1
122.07275	1.4
123.04459	0.5
123.08071	1.2
123.11665	1.3
124.02431	0.6
128.97816	0.6
137.02956	9.7
137.04021	0.5
137.06024	0.3
137.09601	5.3
137.13240	0.9
137.98399	0.6
138.03056	0.8
142.03497	11.9
142.96703	2.2
143.03658	1.0
147.04405	4.0
147.11674	7.7
160.04562	4.6
160.05791	0.5
161.01154	0.4
161.04663	0.6
165.05161	0.8
165.09097	9.6
165.12746	44.9
166.08482	1.4
166.13089	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03939	4.4
54.03435	0.9
55.01848	2.3
55.05260	1.2
55.05505	16.9
56.05010	0.9
56.96566	12.0
57.03432	5.0
57.07071	16.3
59.05000	6.4
61.02921	1.0
65.03928	2.9
67.05502	18.7
68.05007	1.7
69.03423	26.5
69.07061	13.1
70.06571	2.7
70.68549	0.7
70.75180	2.2
71.04991	3.7
71.19542	0.8
71.95255	1.8
77.03912	1.3
78.77191	0.9
79.05062	1.1
79.05488	18.5
80.05003	1.4
81.03413	28.0
81.04510	1.8
81.07051	43.3
82.06569	1.5
82.07373	1.0
83.04970	6.1
83.06077	2.3
83.08607	5.6
83.93016	2.5
85.02878	2.2
85.06526	2.6
85.07661	0.8
91.05476	26.5
92.05802	0.8
93.07039	15.2
94.06584	0.8
95.01335	0.8
95.04962	21.0
95.05988	1.1
95.08602	32.0
96.04503	1.0
96.05605	1.0
97.06511	3.6
97.07623	1.4
99.13363	0.8
100.02446	1.6
101.00856	7.2
101.02525	1.7
102.02193	1.0
103.05447	2.7
103.95654	0.9
105.03413	0.8
105.07021	28.4
105.76648	0.7
106.06549	1.7
106.07288	0.8
107.04950	1.9
107.06049	2.1
107.08587	37.4
108.05728	1.4
108.08133	1.6
108.08881	1.6
109.06511	34.2
109.07664	1.7
109.10146	10.0
110.07198	2.3
111.04477	0.8
111.08077	1.0
111.09188	1.0
115.96413	1.3
116.97187	2.0
117.07012	2.0
118.03500	1.2
119.01913	68.8
119.04932	24.1
119.08578	25.8
119.09448	1.0
119.95113	2.4
120.01993	6.0
120.03265	1.0
120.05394	1.5
120.08098	17.7
120.08871	1.0
121.06519	1.7
121.07603	1.6
121.10134	23.4
122.06067	1.1
122.07155	4.3
123.04421	3.0
123.06722	1.2
123.08064	29.4
123.11693	20.6
124.02433	2.0
124.08728	3.8
124.99165	0.8
125.09501	1.0
126.14714	0.7
127.07555	1.4
128.97752	0.9
133.02834	1.8
133.06784	1.7
133.97491	1.3
135.08009	3.0
135.11748	1.0
136.07544	0.9
137.02953	40.3
137.05962	2.7
137.09602	6.8
137.13242	4.0
137.98341	1.6
138.03029	3.7
138.05455	1.5
138.09100	1.7
140.07468	0.7
140.48592	1.0
142.03491	46.4
142.04530	1.7
142.07306	1.4
142.96706	11.9
143.00153	2.1
143.03651	3.3
147.04398	42.0
147.08017	3.3
147.11681	21.0
148.04805	2.7
148.07552	1.4
148.08661	2.9
148.12051	1.5
150.10350	2.8
150.56413	1.1
151.06218	0.9
155.03767	1.0
159.05212	0.8
160.04553	19.8
161.01266	4.3
161.04665	2.8
165.05357	5.2
165.07672	4.1
165.09090	5.6
165.11516	3.9
165.12740	100.0
165.98209	1.2
166.05006	3.4
166.08588	7.6
166.09698	0.9
166.13132	5.2
179.02225	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.02367	0.2
53.03942	0.3
55.05507	0.2
56.05035	0.2
56.96563	0.2
63.55270	0.1
65.03917	1.3
67.05503	0.6
67.91717	0.1
68.05041	0.3
69.03420	0.6
69.49297	0.5
69.49728	0.5
70.06580	0.3
79.05483	0.5
80.05013	0.1
81.03408	0.2
81.04538	0.2
81.07053	0.6
82.06567	0.3
83.04984	0.3
83.06099	0.4
85.02891	0.2
91.05470	24.2
92.05806	0.4
93.07053	0.3
95.04958	2.2
95.06078	0.2
95.08572	0.3
97.07616	0.2
97.86000	0.1
99.04463	0.2
101.00845	0.8
103.05463	0.3
105.03394	0.1
105.04527	0.1
105.07033	0.4
107.05002	0.1
107.06073	0.3
109.06528	0.3
109.07619	0.2
109.10158	0.3
110.07228	0.1
119.01919	6.6
119.04927	51.4
119.08596	0.5
120.01954	0.2
120.05242	1.3
120.08105	0.3
121.07597	0.2
122.07175	0.3
123.04424	2.6
124.08718	0.3
133.02878	0.2
137.02939	2.9
137.05971	0.4
137.09612	0.4
137.77235	0.1
138.10274	0.2
142.03490	3.8
142.96674	0.3
143.03603	0.2
147.04390	100.0
148.04727	3.0
148.08687	0.4
149.08870	0.1
160.04514	1.5
164.04251	0.2
165.05440	1.5
165.07655	0.4
165.09116	0.5
165.11359	0.5
165.12744	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03942	5.5
55.01836	1.2
55.05508	6.6
55.15724	0.7
56.96561	6.8
57.03413	2.5
57.07075	4.7
59.04973	2.7
59.65517	0.7
60.03312	0.7
61.02902	1.1
65.03946	1.1
66.81920	0.9
67.05180	0.9
67.05501	14.6
68.05015	1.2
69.03426	31.7
69.07055	9.5
70.06583	2.0
71.04979	1.3
71.35987	0.9
71.59583	1.2
79.05480	10.6
80.04990	2.2
81.03413	26.1
81.04511	1.2
81.07051	25.1
82.06564	1.6
82.99864	0.8
83.04989	4.9
83.06082	1.6
83.93033	2.6
85.02881	1.8
85.06546	1.1
91.05471	18.1
93.07049	9.2
95.04960	15.7
95.06061	1.2
95.08601	30.6
96.08094	1.1
100.02471	1.6
101.00870	8.6
101.02563	0.8
103.05465	3.2
105.07027	12.2
106.07320	1.5
107.04919	2.0
107.06068	1.5
107.08587	9.7
109.06516	16.3
109.07641	1.3
109.10117	3.9
110.06057	1.0
110.07241	2.8
111.08057	1.2
115.96425	1.3
117.06973	1.7
119.01913	68.4
119.04928	21.1
119.08570	14.4
120.01976	4.8
120.08115	13.6
120.08930	1.8
121.06517	2.1
121.07487	1.3
121.10126	7.6
122.06052	1.0
122.07162	3.3
123.04485	1.4
123.08060	36.2
123.11691	13.6
124.02403	1.5
124.08630	3.0
125.07116	0.8
125.09483	1.0
128.97806	1.2
133.02841	2.4
135.11694	1.0
136.06468	0.9
136.07558	1.3
137.02948	37.1
137.05933	3.7
137.07919	2.8
137.09615	3.9
137.13225	2.9
137.19276	0.8
138.03040	3.4
138.09114	2.1
142.03490	41.0
142.06436	2.5
142.96692	7.4
143.03600	3.6
147.04398	39.4
147.08025	1.2
147.11693	6.3
148.04797	2.0
148.07581	1.6
148.08672	2.2
151.06981	2.5
160.04543	18.3
160.07457	1.3
161.04710	1.8
165.05225	4.7
165.07712	1.7
165.09099	3.2
165.11490	4.2
165.12735	100.0
166.04997	2.0
166.08655	4.9
166.13069	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	165.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
55.01845	0.6
55.05495	0.5
56.05026	0.9
56.96564	1.0
57.03432	0.5
58.06591	0.6
59.06106	0.2
65.03941	1.6
67.05494	1.2
68.05013	1.3
69.03434	1.1
70.04112	0.2
70.06582	0.8
71.16113	0.5
73.02913	0.2
79.05489	0.9
80.05014	0.8
80.31841	0.2
81.03413	0.5
81.04532	0.7
81.07053	1.3
82.06551	0.6
83.04981	0.4
83.06095	1.2
83.93073	0.2
85.02886	0.5
85.07640	0.7
86.08453	0.3
87.67329	0.3
91.05470	29.3
92.05788	0.7
93.07023	0.9
94.06521	0.2
95.04957	2.9
95.06071	0.9
95.08604	0.7
97.07639	0.7
98.07188	0.5
101.00858	1.8
101.02574	0.3
103.05446	0.8
105.04501	0.3
105.06374	0.2
105.07016	1.6
105.37148	0.2
107.04935	0.7
107.06078	1.1
108.06796	0.3
109.06490	0.7
109.07630	1.0
109.10153	0.7
110.06003	0.3
110.07162	0.4
111.09199	0.6
115.96359	0.3
119.01915	16.2
119.04928	53.8
119.08581	1.7
120.01981	0.3
120.05174	1.5
120.08099	2.5
121.03986	0.2
121.06492	2.5
121.07596	0.8
121.10115	0.3
122.07121	1.1
123.04417	3.1
123.08000	1.3
124.02425	0.4
124.07905	0.3
124.08694	1.6
125.09510	0.5
129.06941	0.2
133.02814	0.5
135.08044	0.7
137.01947	0.5
137.02946	7.5
137.04005	0.4
137.05965	1.0
137.09554	0.7
138.03032	0.3
138.09146	0.3
138.10245	0.4
142.03484	8.9
142.96704	1.1
143.03610	0.4
147.04391	100.0
147.11690	0.5
148.03786	0.3
148.04764	3.1
148.07574	0.3
148.08688	1.0
160.04527	3.5
165.05453	2.0
165.07646	0.6
165.09039	1.5
165.11349	2.0
165.12740	0.7
166.04974	0.7
166.08575	0.6
166.09859	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	trans-3-Hydroxycinnamate
Peak:m/z	Relative Intensity
53.03933	1.4
54.03456	1.3
55.01862	2.0
55.05497	1.6
56.05040	4.0
56.96562	3.8
57.03431	1.2
58.06590	2.1
59.06109	1.6
65.03931	3.3
65.92625	0.7
67.02950	0.7
67.05504	7.8
68.05031	6.6
68.99801	0.6
69.03439	2.6
69.04545	0.9
69.07056	3.5
70.06591	5.2
71.04960	0.7
71.06107	0.8
72.04525	0.6
73.08851	0.6
73.39542	0.5
77.00617	3.8
79.05494	4.3
79.22752	0.5
80.05021	3.3
81.03413	2.0
81.04537	5.3
81.05784	0.6
81.07056	4.7
82.05312	1.0
82.06574	3.1
83.04996	0.6
83.06103	6.6
83.93034	1.0
84.08123	1.6
85.07670	4.1
86.08440	0.6
87.04454	0.6
90.48351	0.5
91.05480	41.0
92.04929	0.6
92.05801	1.2
93.07052	4.5
94.03283	0.9
94.06541	1.3
95.04972	9.3
95.06080	3.3
95.08610	4.8
96.04498	0.9
96.06867	0.7
97.02898	0.6
97.06428	0.5
97.07657	4.0
98.07166	2.5
98.97580	2.7
100.02451	0.6
101.00861	3.7
103.05479	3.1
105.03427	0.5
105.07014	4.9
106.05311	0.6
107.05001	2.4
107.06090	4.8
107.07359	0.5
107.08589	1.6
108.04487	0.6
108.05622	1.2
108.06848	1.1
109.02895	0.9
109.06545	4.4
109.07642	3.9
109.10161	4.8
110.06097	1.0
110.07140	1.9
111.04477	0.6
111.09196	1.9
112.03975	0.5
116.98616	4.3
117.07008	1.5
118.03506	0.9
119.01064	0.8
119.01924	35.6
119.04941	61.0
119.08585	8.1
119.95117	1.2
120.02046	0.8
120.05356	2.2
120.08107	14.5
120.08949	1.2
121.03006	0.6
121.06506	2.1
121.07641	3.1
121.10109	0.9
122.06228	0.9
122.07161	5.8
122.09645	2.9
123.04421	5.5
123.05518	1.0
123.06643	0.5
123.08063	8.1
123.11650	0.6
124.02477	1.1
124.08710	6.4
125.07130	0.6
125.09515	4.0
126.97381	0.6
131.04926	1.5
132.05717	1.7
133.02870	1.4
134.99623	2.6
136.07611	1.0
136.08708	0.8
137.02972	23.6
137.05972	6.6
137.06995	0.6
137.09607	7.0
138.03052	1.4
138.05530	1.0
138.06572	1.6
138.09143	2.4
138.10254	2.8
142.03499	18.4
142.96703	3.0
143.03683	1.0
147.04408	100.0
147.08051	3.7
147.11664	1.2
148.03903	2.0
148.04773	2.3
148.07576	0.9
148.08679	6.1
148.11212	1.1
150.06769	0.6
158.99644	1.2
160.04544	8.6
160.96013	0.8
161.01236	0.9
164.38918	0.5
165.01866	2.7
165.02992	1.0
165.05510	4.8
165.07651	2.8
165.09077	7.7
165.11366	9.3
165.12775	2.6
165.13924	0.6
166.04982	6.2
166.06122	0.7
166.08632	3.2
166.09842	1.0
177.00694	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	2-Hydroxy-3-phenylpropenoate
Peak:m/z	Relative Intensity
51.02379	0.4
53.03943	3.2
55.01888	0.6
56.96544	0.3
59.16710	0.2
60.22863	0.2
61.41163	0.2
65.03940	1.3
65.92625	0.7
67.05505	0.8
67.16534	0.2
69.97794	1.4
77.03938	0.9
79.05482	0.4
80.94952	1.7
81.03410	0.9
81.07050	0.8
91.05481	22.3
92.05789	0.3
93.07049	1.7
95.04967	79.2
96.05286	1.2
98.20793	0.4
101.00877	1.5
103.05468	5.3
105.04513	1.6
107.04944	0.6
107.18436	0.3
109.06519	4.2
119.01930	9.7
119.04940	55.8
120.02044	0.4
120.05251	1.8
120.08092	0.6
121.05148	0.3
121.06540	1.6
121.97559	1.3
123.04426	100.0
124.02444	0.3
124.04781	1.8
124.93899	1.0
131.01884	0.4
137.02969	3.5
137.05989	2.0
142.03500	4.2
142.94960	0.4
147.04411	14.9
149.04543	0.5
160.04541	1.9
160.95993	1.1
165.05464	2.3
165.07706	0.5
166.07266	2.4
167.05617	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.2
55.01870	0.4
56.05020	0.3
56.96560	2.5
57.03435	0.4
65.03928	1.9
67.05507	1.4
68.05025	0.2
69.03419	0.8
69.49174	1.8
70.06570	0.4
70.88232	0.2
71.04994	0.3
72.93773	0.2
79.05469	1.4
80.05003	0.5
81.03407	0.6
81.07046	1.0
82.06563	0.3
82.77744	0.2
83.04986	0.3
83.06110	0.7
85.02955	0.3
85.07652	0.3
91.05474	29.3
92.05801	0.8
93.07045	0.9
95.04968	3.5
95.08610	0.3
97.07648	0.4
98.97581	1.2
99.04403	0.3
101.00883	1.4
103.05472	0.7
105.03391	0.3
105.06393	0.2
105.07027	1.8
107.04941	0.3
107.06033	0.3
107.08559	0.4
109.06514	0.9
109.07597	0.4
109.10139	0.7
110.07195	0.3
116.03041	0.3
116.97226	0.3
116.98581	1.1
117.06991	0.3
119.01923	11.2
119.04933	53.7
119.08564	2.0
120.01984	0.3
120.05215	1.3
120.08105	1.8
121.06515	0.4
121.07596	0.4
121.10126	0.5
122.07153	0.7
123.04427	3.0
123.08057	0.9
123.11696	0.2
124.08731	0.4
128.03110	0.4
128.04926	0.3
129.05609	0.3
131.08528	0.3
133.02838	0.7
133.03992	0.5
134.99619	0.5
137.02934	5.9
137.05959	1.0
137.09590	0.9
138.06659	0.4
142.03485	6.5
142.04617	1.6
142.96686	0.8
143.03535	0.5
145.10106	0.3
147.04398	100.0
147.11659	0.8
148.04741	2.7
148.08682	0.6
151.05162	1.0
158.99707	0.2
160.04536	2.3
165.05492	2.3
165.07782	0.5
165.09102	1.3
165.11334	1.0
165.12766	1.0
166.08612	0.3
177.00691	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	2-Hydroxy-3-phenylpropenoate
Peak:m/z	Relative Intensity
50.01622	0.3
51.02376	0.5
53.03953	2.3
54.65303	0.2
55.01874	0.3
58.32676	0.2
65.03937	1.2
65.92630	1.1
66.70768	0.2
67.05508	1.0
70.06581	0.2
70.74233	0.6
72.67932	0.2
74.02435	0.2
77.03924	0.6
78.95281	0.5
79.05495	0.3
80.94965	2.0
81.03423	0.5
81.07062	0.7
82.99861	0.2
83.93672	0.3
84.08149	0.6
88.16151	0.2
91.05482	18.1
92.05811	0.4
92.40175	0.2
93.07050	1.9
94.04199	0.4
95.04969	70.6
96.05297	1.5
101.00894	1.2
103.05476	4.9
104.59743	0.2
105.04540	1.7
107.04987	0.5
107.20239	0.2
109.06522	4.4
119.01936	6.6
119.04942	55.1
120.02044	0.3
120.05206	1.4
120.08105	0.5
121.06500	2.4
121.97569	1.4
123.04427	100.0
124.04764	2.1
124.93909	0.6
133.03365	0.2
136.06238	0.3
137.02966	3.0
137.05972	2.4
138.03029	0.3
142.03496	3.9
142.94904	0.5
143.03758	0.2
147.04405	16.1
148.04771	0.6
148.06071	0.2
149.04584	0.3
158.96323	0.3
160.04550	1.6
160.96046	1.2
161.02948	0.5
165.01668	0.2
165.04045	0.3
165.05460	2.1
166.07268	2.6
166.08577	0.4
167.05626	0.8
169.76671	0.2
183.97557	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	trans-3-Hydroxycinnamate
Peak:m/z	Relative Intensity
51.94110	0.3
52.56182	0.3
53.03955	0.4
54.03472	0.7
55.01867	0.8
55.05501	0.7
56.05046	1.7
56.96567	1.4
57.03426	0.9
58.06597	0.7
59.06115	0.7
65.03933	2.3
67.05508	2.1
68.05023	3.0
69.03428	2.3
69.04535	0.6
70.06596	1.6
70.59854	1.0
71.05037	0.3
79.05493	1.9
80.05025	1.8
81.03422	0.7
81.04542	2.0
81.07054	1.7
82.05307	0.4
82.06573	1.4
82.99855	0.5
83.04987	0.8
83.06113	4.3
83.93034	1.0
85.02912	0.8
85.07669	1.5
91.05480	31.7
92.05813	0.7
93.04561	0.5
93.07050	0.9
94.06587	0.5
95.04971	4.3
95.06072	1.7
95.08624	0.8
97.07641	1.5
98.07183	2.0
100.02486	0.6
101.00865	2.5
103.05466	1.0
105.03387	0.6
105.07066	1.4
107.04942	1.1
107.06061	1.8
107.08553	0.4
108.06837	0.5
109.02863	0.4
109.06519	1.5
109.07642	2.7
109.10165	1.0
110.06155	0.4
110.07143	1.3
111.04430	0.5
111.09241	0.8
117.06992	0.4
118.03500	0.5
119.01043	0.7
119.01923	33.5
119.04940	59.6
119.08572	2.2
119.95116	0.4
120.02000	1.0
120.05247	1.6
120.08110	5.0
121.06543	0.8
121.07627	1.6
122.07185	2.3
123.04424	4.3
123.08058	1.8
124.02419	0.7
124.08719	3.4
125.09521	2.1
131.04935	0.3
133.02846	0.7
135.04358	0.4
136.07690	0.3
136.08737	0.5
137.02963	16.9
137.05917	1.9
137.06909	0.3
137.09607	1.1
138.03052	0.5
138.05486	0.5
138.06555	0.3
138.09134	4.0
138.10245	1.6
142.03494	19.5
142.96703	3.8
143.03549	0.8
144.40773	0.3
147.04405	100.0
147.11685	0.8
148.03827	0.3
148.04802	2.9
148.08673	2.8
160.04553	8.8
160.95990	0.3
161.04720	0.3
165.01871	0.4
165.05473	3.8
165.07703	0.6
165.09065	2.1
165.11385	5.0
165.12732	1.1
166.05000	1.2
166.08641	1.5
166.09846	0.5
183.06265	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01580	0.2
53.03934	0.4
55.01858	0.5
55.05510	0.3
56.05029	0.5
56.96547	0.6
58.06601	0.4
65.03924	1.4
67.05503	0.8
68.05018	0.8
69.03412	0.5
70.06577	0.6
71.11335	0.5
71.11702	0.4
77.03922	0.3
79.05487	1.7
81.03422	0.5
81.04543	0.5
81.07050	0.8
82.06564	0.5
83.06101	1.0
85.07657	0.5
87.33755	0.2
91.05474	26.6
92.05805	0.7
93.07047	1.3
95.04951	2.2
95.06062	0.4
95.08596	0.7
96.06920	0.2
97.07655	0.5
98.07204	0.2
100.33084	0.2
101.00870	0.8
103.05466	0.8
105.07026	1.0
107.04939	0.5
107.06056	0.6
107.08601	0.6
109.06523	0.5
109.07629	0.5
111.09157	0.3
119.01924	6.4
119.04933	52.0
119.08574	1.0
120.01943	0.2
120.04527	0.3
120.05231	1.4
120.08082	1.8
121.06464	0.3
121.07610	0.3
121.10154	0.4
122.03706	0.2
122.06059	0.2
122.07145	0.8
123.04419	1.7
123.08061	0.7
124.07555	0.2
124.08709	0.8
125.09481	0.4
133.02858	0.9
137.02940	2.9
137.05980	1.0
137.09622	0.4
138.09195	0.5
138.10226	0.5
142.03476	4.1
142.96663	0.5
143.03656	0.3
147.04396	100.0
147.11639	0.5
148.04749	3.0
148.08699	0.7
160.04565	1.6
165.05482	1.7
165.07716	0.4
165.09030	1.0
165.11336	1.1
165.12764	0.8
166.08574	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	trans-3-Hydroxycinnamate
Peak:m/z	Relative Intensity
53.03937	1.7
54.03058	0.5
54.03459	1.5
55.01877	3.8
55.05507	0.9
56.05042	2.8
56.96558	1.2
57.03430	0.7
57.04548	0.6
58.06588	2.0
59.06102	1.3
64.78512	0.5
65.03932	4.1
65.92641	0.7
67.04230	0.6
67.05506	6.2
68.05025	5.9
68.99784	0.7
69.03410	1.1
69.04556	1.2
69.90714	1.8
70.06311	0.4
70.06596	5.1
77.00628	0.4
79.05507	3.4
80.05011	3.1
81.03426	2.3
81.04537	3.9
81.05310	0.6
81.07055	5.3
82.05295	0.8
82.06598	2.6
83.04995	0.8
83.06100	5.4
84.08143	1.5
85.07668	2.8
88.07711	0.6
91.05482	50.4
92.05823	1.6
93.04537	0.6
93.07046	3.0
94.04149	0.7
94.06578	1.0
95.04967	7.6
95.06110	2.6
95.08600	3.1
96.04510	0.6
96.05598	0.6
96.06900	0.9
97.06475	0.6
97.07632	2.9
98.07157	2.6
101.00861	2.3
103.05465	2.5
103.38791	0.5
105.03386	0.6
105.07037	3.4
107.04958	4.9
107.06068	3.8
107.08586	0.9
108.04480	1.0
108.05627	0.6
108.06867	0.7
108.08167	0.7
109.02842	0.6
109.06540	4.0
109.07658	3.8
109.08302	0.8
109.10157	3.2
110.03654	1.0
110.06043	0.7
110.07167	1.6
111.09212	1.4
117.06988	0.5
119.01924	27.7
119.04942	66.6
119.08578	5.0
119.95139	0.7
120.02054	0.9
120.04455	0.5
120.05120	0.9
120.05692	2.5
120.08108	10.5
121.06483	1.6
121.07613	2.6
121.10141	0.6
122.06050	1.1
122.07156	3.6
122.09701	0.6
123.04416	8.3
123.08058	4.4
123.11669	0.5
124.05084	0.9
124.08716	5.9
125.05930	0.9
125.07064	0.9
125.09520	3.6
129.07014	0.6
131.04933	0.6
133.02840	1.1
133.06462	0.7
135.04385	2.1
136.07620	0.7
136.08632	0.7
137.02986	17.3
137.05977	8.9
137.09633	3.4
138.02997	0.7
138.05528	1.1
138.06607	1.4
138.09129	3.5
138.10237	2.8
142.03500	16.7
142.04613	0.9
142.94971	0.5
142.96674	1.9
143.03609	0.7
146.93587	0.5
147.04410	100.0
147.08072	1.8
147.11694	0.7
148.04849	2.9
148.07574	1.1
148.08672	5.9
160.04565	6.7
165.01825	1.9
165.03024	1.0
165.05504	7.3
165.07637	1.8
165.09059	4.7
165.11389	8.5
165.12749	1.6
166.04997	1.8
166.08565	3.6
166.09853	0.7
172.38928	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.8
54.42396	0.3
55.01856	0.7
55.05495	1.0
56.05021	1.1
56.96553	1.2
57.03420	0.5
58.06598	0.5
59.06107	0.4
65.03924	2.0
67.05501	2.1
68.05018	0.9
68.62048	0.3
68.91863	0.2
69.03427	1.1
69.04542	0.3
69.50146	0.9
69.50574	1.5
70.04076	0.3
70.06599	1.5
71.04993	0.4
77.48445	0.3
79.05480	5.4
80.05003	0.6
81.03406	0.9
81.04529	0.9
81.07052	2.8
82.06567	1.0
83.04991	0.6
83.06107	1.8
83.93061	0.6
85.02907	0.3
85.07652	0.7
91.05471	29.7
92.05787	0.8
93.07034	1.9
94.06564	0.4
95.04962	3.5
95.06074	0.9
95.08582	1.5
97.07645	0.9
98.07172	0.4
101.00851	2.2
101.02551	0.4
103.03904	0.3
103.05467	0.9
105.07026	2.8
107.04944	1.0
107.06063	1.7
107.08585	1.2
109.02861	0.3
109.06537	1.4
109.07638	1.0
109.10146	0.9
110.07173	0.5
111.09225	0.4
119.01045	0.7
119.01914	20.5
119.04930	50.9
119.08562	2.6
120.02074	0.6
120.05317	1.0
120.08097	3.6
121.06517	0.4
121.07631	0.8
121.10101	0.3
122.06111	0.3
122.07150	1.8
123.04415	2.3
123.08075	1.6
123.08898	0.3
123.11699	0.4
124.02411	0.5
124.07912	0.3
124.08681	2.1
125.09505	1.1
133.02795	1.4
137.02945	10.9
137.05974	1.3
137.09593	0.9
138.03046	0.3
138.05470	0.5
138.06590	0.3
138.09271	0.4
138.10268	1.1
142.03482	11.0
142.96667	1.5
143.03610	0.3
147.04395	100.0
147.11658	1.7
148.04762	2.8
148.07622	0.4
148.08662	2.1
160.04552	5.5
165.01855	0.4
165.05428	2.5
165.07639	1.4
165.09113	1.4
165.11334	2.8
165.12755	2.2
166.04999	0.6
166.08624	0.7
183.24983	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.3
55.01868	2.0
56.05035	1.5
56.96574	2.4
57.03434	1.1
58.99865	1.3
60.95304	0.6
61.02911	1.0
62.22030	0.4
63.92935	1.5
65.03947	1.1
65.92628	7.4
67.05506	1.1
69.03432	1.7
69.74692	0.4
70.06589	3.0
70.99856	0.7
71.57079	0.6
73.02917	2.1
73.96476	0.4
74.02456	2.8
75.02701	0.5
77.00913	1.3
77.03931	0.7
78.95286	1.7
79.05488	0.8
80.94965	12.6
81.03420	2.9
81.07074	1.3
82.99878	0.9
83.93657	1.6
84.08150	1.5
84.96004	0.7
85.02908	1.2
91.05479	23.9
92.05855	0.7
93.07056	2.5
95.04970	76.2
96.05321	1.7
97.02889	1.6
98.96014	2.0
99.04429	0.5
100.02529	1.5
101.00874	13.4
102.02394	0.5
102.05592	0.6
103.05451	8.5
103.06040	0.7
104.05861	0.6
105.00412	0.7
105.04534	1.6
107.04930	0.9
107.96041	1.0
109.02905	1.4
109.06516	4.0
111.02929	0.6
112.02775	0.6
115.02456	1.8
118.03563	1.3
119.01923	100.0
119.04941	54.8
119.08527	0.4
120.01984	6.0
120.05291	1.5
120.08109	27.1
120.98276	0.8
121.06502	2.2
121.97591	5.1
122.06031	0.9
122.94221	0.7
123.04430	87.9
123.94565	0.6
124.02432	2.2
124.04768	1.8
124.93913	4.4
127.00748	0.5
127.03932	1.0
131.01923	4.9
133.03510	2.3
137.02957	41.3
137.05945	3.0
137.09808	0.5
138.03067	1.6
142.03502	46.3
142.94928	3.7
143.01930	1.1
143.03604	2.6
145.03462	1.1
147.03229	1.0
147.04401	18.5
147.06342	2.0
148.04779	0.5
149.02847	1.2
155.01855	0.9
156.77737	0.5
157.03484	1.7
158.96313	0.7
159.96689	0.8
160.04556	18.3
160.96013	8.9
161.02960	3.9
161.04602	1.0
165.05350	3.2
165.10320	0.9
165.96506	0.8
166.05046	0.7
173.02954	1.9
175.04552	0.9
178.97049	0.5
179.04010	0.9
183.97560	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
65.01192	0.2
65.79243	0.2
66.57203	0.2
69.08124	0.2
70.75434	0.6
80.94965	0.3
82.99799	1.1
89.34834	0.2
91.47759	0.2
94.74438	0.2
96.95002	0.2
100.02470	1.1
101.00867	15.4
102.00968	0.6
118.03530	0.7
119.01910	100.0
120.01992	3.9
121.02348	0.3
124.02441	2.5
137.02945	39.2
138.03012	1.6
139.03354	0.3
142.03487	58.9
143.03618	2.3
149.17484	0.2
150.89297	0.2
160.04541	22.6
160.95906	0.3
161.04710	0.9
165.05125	1.2
183.06076	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
56.43767	0.6
56.96552	2.3
60.08155	1.3
63.92938	1.6
65.03944	0.7
65.84252	0.5
65.92629	10.9
66.80568	0.6
69.03422	1.0
69.18603	0.5
70.06588	0.7
70.10693	1.2
70.11088	1.1
71.06885	0.5
74.02423	0.6
78.95285	2.8
79.95600	0.6
80.94961	15.8
81.07066	0.7
82.99822	1.3
83.93665	2.2
91.05052	0.6
91.05491	6.1
93.07068	0.8
95.04967	23.6
95.91281	0.6
98.95995	2.0
100.02467	0.9
101.00874	16.0
103.05470	2.0
107.04948	8.3
109.06507	1.3
114.67890	0.5
117.96673	0.5
118.03455	0.7
119.01915	100.0
119.04931	15.8
119.08659	0.5
120.01266	0.6
120.01959	3.6
120.05516	0.5
120.08092	4.0
121.06492	0.9
121.97569	8.5
122.94215	0.7
123.04420	24.3
123.94550	0.8
123.95492	0.8
124.02446	2.1
124.93895	8.8
137.02948	36.6
138.03108	1.8
140.95264	0.6
141.95590	0.7
142.03490	49.1
142.94926	6.5
143.03601	2.6
147.04382	6.4
148.06163	0.6
158.96344	0.6
159.96553	0.6
160.04555	16.8
160.95998	11.1
165.05264	1.5
165.96565	1.4
166.07303	3.2
166.08563	1.0
167.05664	1.1
183.97603	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03942	0.7
55.01863	0.3
55.05503	0.6
56.05040	0.7
56.96564	0.4
58.06600	0.3
59.06114	0.2
65.03929	2.7
67.05506	1.7
68.05020	0.9
69.03414	0.9
69.07092	0.2
70.06587	1.2
71.58951	0.3
71.59417	0.3
79.05487	1.6
80.05008	0.8
81.03426	0.6
81.04525	0.5
81.07066	1.3
81.09534	0.2
82.06590	0.7
83.04970	0.7
83.06087	1.8
83.93047	0.3
85.02875	0.4
85.07642	0.5
91.05471	32.7
92.05814	0.9
93.07034	1.4
94.06566	0.3
95.04967	4.1
95.06089	0.5
95.08602	1.3
97.07649	0.8
98.07173	0.7
101.00859	1.4
103.05470	3.2
105.07002	2.0
107.04956	0.9
107.06074	0.9
107.08604	0.4
108.05634	0.4
109.06506	1.1
109.07629	0.8
109.10142	0.7
110.07182	0.3
111.09258	0.5
119.01920	12.3
119.04932	56.3
119.08562	2.0
120.02017	0.5
120.05228	1.9
120.08094	18.2
121.06493	4.7
121.07604	0.8
121.10114	0.4
122.06087	0.4
122.07143	1.3
123.04433	3.9
123.08056	2.8
124.02414	0.3
124.08697	1.6
125.09506	0.6
125.68349	0.3
131.04907	0.4
133.02820	0.6
133.05287	0.5
135.08090	1.5
137.02951	5.4
137.05940	1.3
137.09586	1.0
137.21565	0.3
138.03137	0.4
138.06651	0.3
138.10185	0.4
142.03490	7.0
142.96695	1.0
147.04395	100.0
148.04742	2.9
148.07578	0.6
148.08685	1.5
160.04549	3.2
165.05547	2.0
165.07565	1.0
165.09134	2.1
165.11357	2.2
165.12759	1.1
166.05037	0.4
166.08612	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30186	0.5
53.03948	1.5
55.01883	1.6
55.05500	0.9
56.05019	3.0
56.96561	14.7
57.03436	1.3
58.06591	0.6
60.95855	0.6
61.02909	0.9
63.92938	50.1
65.03942	1.5
67.05499	1.6
68.05029	1.7
69.03429	4.9
70.06597	2.9
71.17565	1.7
72.08137	0.6
73.02917	1.8
74.02432	0.9
74.06082	1.0
78.95271	82.4
79.05494	3.2
80.05009	1.1
81.03439	1.5
81.04541	1.0
81.07047	1.4
81.93974	10.3
81.94442	0.7
82.06576	1.5
83.04985	1.9
83.05659	0.8
83.06127	1.3
84.08154	0.8
84.96056	1.0
85.02912	1.4
85.05237	0.7
86.06075	1.2
90.04221	1.8
91.05474	29.2
92.05008	0.7
92.05824	1.3
93.05776	0.9
93.07030	3.0
93.89812	0.6
94.06559	2.2
95.04967	7.6
95.06089	1.9
96.96310	16.1
98.97569	7.2
99.97924	0.8
100.02443	1.0
100.04045	0.9
100.51968	0.8
101.00854	3.4
102.05547	1.3
103.05462	13.6
107.04946	31.3
107.06071	1.5
107.07384	0.6
107.08571	0.5
108.04552	1.0
108.05273	23.5
108.08121	1.5
109.02889	0.8
109.05505	1.8
109.06500	2.0
109.07654	1.6
109.52445	0.8
110.07195	0.8
110.97559	0.9
116.04968	1.6
116.98605	6.3
117.05756	8.5
118.03600	2.3
118.06538	19.0
119.01913	36.8
119.04927	15.0
119.07323	5.9
119.08598	1.1
119.97878	54.6
120.08098	9.2
120.08934	0.9
120.98145	0.7
121.05096	0.9
121.06487	1.0
121.95808	1.7
122.06017	10.3
122.07031	1.6
122.94202	35.0
123.04413	2.4
124.06280	1.0
124.08685	1.2
125.09500	0.9
128.04945	1.5
128.98605	2.4
133.03008	1.0
134.05995	0.8
134.99670	4.2
135.04408	1.1
135.99973	0.6
136.03848	1.2
136.04771	3.1
136.06209	3.1
136.07582	5.4
136.08603	1.2
137.02953	18.9
137.04518	1.0
137.05945	3.0
137.07014	1.3
137.98946	0.7
138.10301	0.7
140.95233	30.9
142.03488	21.5
143.00146	1.5
146.05995	100.0
146.99643	2.1
147.04401	22.4
147.06255	4.9
147.08055	1.3
147.99969	0.9
148.04819	0.7
148.08641	1.1
153.00670	0.8
158.96298	69.8
159.96608	0.8
160.03198	0.6
160.04527	9.0
161.01210	3.1
162.01540	1.1
163.96831	10.7
164.03218	1.3
164.04280	3.8
164.05788	1.1
164.07042	33.9
164.08151	1.6
164.09241	1.5
164.10722	2.2
164.14339	0.7
165.00554	0.8
165.01801	1.1
165.05344	2.5
165.07588	1.3
165.09023	1.5
165.11357	1.9
170.99716	0.8
176.97345	5.1
177.00665	0.8
179.02335	0.7
181.97870	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.01899	0.7
55.05507	9.6
56.05057	0.3
56.05870	0.6
56.96563	4.0
57.03465	0.5
57.07104	0.5
61.11824	0.3
63.92949	0.3
65.03941	1.7
67.05499	2.1
68.05057	0.7
69.03432	0.8
69.07099	0.8
69.31180	1.0
69.31601	2.0
70.06607	0.7
72.08179	0.6
72.93784	1.3
77.03908	0.6
78.04741	0.3
78.95280	0.4
79.05480	2.7
80.05016	1.4
80.05838	0.5
81.03443	1.2
81.04560	0.5
81.07051	1.9
82.01469	0.4
82.06572	0.5
83.05016	1.2
83.06116	0.6
83.08610	4.4
90.01579	0.9
90.04266	0.5
90.94849	0.5
91.05473	18.3
92.05013	0.3
92.05822	0.7
93.05789	1.6
93.07040	6.4
93.07610	0.3
94.06600	1.0
94.07361	0.5
95.04959	7.1
95.06090	0.6
95.08611	0.7
97.02335	0.4
97.06555	0.3
99.02090	0.4
100.02474	4.9
100.07634	0.8
100.09441	6.7
100.11246	15.5
100.59641	0.5
101.00876	1.3
101.11610	0.9
103.02364	1.1
103.05484	0.8
104.05818	1.4
105.04541	1.1
105.07063	1.0
106.06599	0.4
107.04964	0.8
107.06086	0.5
107.08582	1.2
108.04488	1.0
108.05257	0.7
108.08134	3.9
108.08923	0.8
109.06512	0.9
109.07669	0.6
109.10130	0.9
110.97547	0.5
111.04464	0.9
111.36153	0.3
112.02856	0.5
113.96406	0.8
116.04902	0.6
117.07059	0.5
118.03488	3.3
118.06570	0.6
118.07345	0.3
119.01913	15.0
119.04933	19.0
119.08590	1.1
119.97871	0.3
120.08091	0.3
121.06515	0.8
121.07549	0.4
121.10151	0.5
122.06047	1.2
122.07149	1.3
122.10483	0.3
122.94235	0.4
123.04413	1.7
123.05428	0.4
123.08028	0.8
124.02467	0.6
124.08743	0.5
125.05434	1.3
126.05518	2.9
126.09062	0.4
128.07072	0.5
128.98621	0.4
130.04576	0.6
131.04889	0.3
131.97464	0.9
132.05220	1.6
133.02808	1.4
134.03181	0.3
134.05896	0.6
136.07565	100.0
137.02946	8.8
137.05965	1.0
137.07097	0.4
137.07932	3.5
137.09537	0.5
139.05174	0.5
140.07039	3.6
141.05119	0.4
142.03484	12.9
143.00162	0.3
143.05391	0.7
143.11807	0.9
146.05983	0.9
147.04399	37.9
147.11684	0.4
148.08669	0.4
152.05870	1.2
154.12274	0.4
158.96237	0.7
160.04550	5.5
163.03853	0.7
164.04404	2.9
164.07028	15.4
164.10509	0.6
164.11723	0.6
164.14207	0.7
165.01820	0.5
165.05447	1.6
165.07581	0.8
165.09065	1.1
165.11324	1.1
165.12726	0.9
171.03242	0.7
180.06523	0.3
182.15382	2.8
183.15753	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0704
Annotation	WF 5239
Peak:m/z	Relative Intensity
50.01604	0.2
50.58564	0.2
51.02390	0.4
53.03940	3.0
54.03466	0.3
55.01878	0.3
55.05501	0.2
56.01379	0.2
56.96565	2.1
57.03462	0.2
65.03928	1.0
67.05499	1.4
68.05011	0.2
69.03429	0.7
69.07069	0.3
69.98526	1.0
70.02952	0.2
70.04079	1.2
70.06592	0.2
72.93796	0.3
74.65199	0.2
77.03948	0.6
78.95295	0.3
79.05482	2.2
80.05015	0.6
80.05821	0.3
81.03424	0.7
81.07038	1.3
82.01448	0.2
83.06084	0.2
85.02924	0.2
85.39866	0.2
86.02542	0.2
91.05475	10.0
93.05800	1.5
93.07042	5.8
94.06575	0.7
94.07392	0.3
95.04964	5.8
95.08591	0.4
95.53716	0.2
96.04501	0.4
96.05293	0.2
97.07661	0.2
100.02465	1.2
101.00877	0.5
103.05411	0.2
105.03376	0.2
105.04514	1.0
105.07037	0.7
107.02563	0.2
107.08591	0.5
108.04464	0.5
108.08126	4.0
108.08862	0.4
109.06527	0.7
109.10146	0.3
116.03079	0.4
118.03487	0.9
118.06524	0.6
119.01918	4.4
119.04919	2.3
119.08570	0.8
121.04086	0.3
121.06513	0.4
121.10140	0.3
122.06024	0.9
122.07101	0.3
122.10507	0.2
123.04480	0.3
123.08080	0.3
126.05511	2.8
127.04063	0.3
130.04626	0.3
132.05199	0.4
133.01797	0.3
133.02748	0.5
136.07568	100.0
137.02954	2.1
137.05981	0.4
137.07011	0.2
137.07935	3.3
137.09576	0.2
140.07051	3.4
141.05667	0.4
142.03511	2.4
146.06010	0.4
147.04390	4.1
147.08061	0.2
147.11674	0.3
149.09483	0.3
150.06190	0.7
160.04565	1.2
164.04294	0.6
164.07053	14.8
164.11559	0.6
165.05482	1.5
165.07452	0.5
165.09084	0.3
165.11357	1.4
165.12727	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0707
Annotation	3-Methyldioxyindole
Peak:m/z	Relative Intensity
50.38990	0.4
51.33939	0.3
53.03957	1.0
54.76782	0.3
55.01886	0.4
55.05539	0.4
56.05060	1.5
56.96567	2.1
57.95817	0.4
58.06621	0.5
60.04524	0.4
63.92945	22.8
65.03959	0.9
66.89756	0.4
67.05532	1.3
68.05054	1.6
69.03439	0.7
69.43069	2.9
69.43488	0.6
70.06577	1.9
71.04975	0.3
72.08194	0.7
74.02444	0.6
74.06114	0.6
77.03886	0.4
78.95280	36.6
79.05506	1.0
80.05035	1.7
80.29235	0.4
81.03465	1.4
81.04543	1.1
81.07088	0.7
81.93987	5.3
82.06608	0.7
83.06134	1.4
84.04546	0.6
84.08164	0.7
84.96050	0.5
85.07702	0.5
86.06091	0.6
91.05483	24.9
92.05050	0.6
93.04524	0.5
93.07055	2.8
94.06589	1.2
95.04967	5.0
95.06120	1.2
95.08607	0.7
96.04529	0.8
96.05274	0.7
96.06913	0.6
96.96314	7.6
96.96909	0.6
98.07211	1.0
98.97561	0.4
101.00930	1.2
103.05470	15.2
105.04597	0.4
105.07053	1.5
105.96369	0.6
106.06553	0.4
107.04971	2.8
107.06106	0.7
108.04482	0.9
108.05313	1.9
108.08162	0.8
109.02863	0.5
109.06540	1.4
109.07662	1.5
109.10192	1.1
110.06064	0.6
110.07182	1.2
116.05003	2.2
117.05768	10.9
118.03532	0.5
118.06548	19.8
119.01925	12.1
119.04948	11.3
119.05962	0.7
119.07360	6.5
119.08596	1.0
119.97891	22.0
120.04479	0.4
120.08121	7.9
120.98182	0.6
121.06547	0.6
121.07600	0.6
121.08405	0.5
121.10040	0.4
121.95797	0.8
122.06050	2.7
122.07156	1.0
122.94216	15.5
123.04444	3.5
123.08091	0.8
124.06384	0.4
124.07564	0.5
124.08624	0.5
125.09510	0.5
128.04968	1.9
131.01892	0.6
134.03230	0.9
134.06053	0.5
134.99727	0.6
136.03918	1.3
136.04849	1.0
136.06219	1.6
136.07573	4.1
136.08643	1.0
137.02971	7.4
137.05991	2.1
137.07071	1.0
137.09698	0.5
140.95248	11.7
142.03499	6.1
146.06010	100.0
147.04424	15.2
147.06267	3.8
147.08076	0.9
148.08682	0.6
153.04144	0.4
158.96320	31.7
159.96623	0.6
160.04565	3.5
163.96890	3.4
164.03381	2.4
164.04376	2.2
164.07051	27.9
164.08176	1.6
164.10692	1.2
165.01833	0.9
165.05365	1.0
165.07568	0.9
165.09062	0.9
165.11340	1.3
165.12653	0.4
172.97960	0.5
176.97301	1.9
179.76486	0.4
181.97899	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	164.0704
Annotation	3-Methyldioxyindole
Peak:m/z	Relative Intensity
51.12588	0.5
53.03946	1.7
54.03476	0.7
55.01864	1.2
55.05506	0.5
56.05032	0.8
56.96556	0.5
60.99163	0.7
61.01148	0.5
63.92899	0.5
64.70793	0.4
65.03925	2.0
67.05507	2.0
68.05022	1.7
69.03418	2.0
70.06590	1.4
70.43098	1.9
77.03923	0.7
78.95277	0.5
79.05479	3.2
79.43161	0.4
80.05012	1.3
81.03422	1.3
81.04532	1.0
81.07039	3.5
82.06581	1.2
83.06118	1.1
85.07713	0.6
90.04237	0.6
91.05470	16.5
93.05770	1.0
93.07046	1.8
94.04166	0.5
94.06557	4.9
94.07151	0.4
94.07370	0.4
95.04964	6.5
95.06036	0.5
95.08614	0.6
96.06868	0.7
97.02863	1.1
97.07673	0.7
98.07123	0.8
100.02465	1.3
100.65771	0.4
101.00846	0.8
103.05456	1.5
104.05764	0.9
105.03382	1.0
105.07057	0.4
106.06577	0.5
106.07322	0.5
107.04926	2.3
107.06094	1.4
107.07288	0.4
108.04534	0.8
108.05260	1.0
108.08075	2.0
109.06509	2.5
109.07643	1.7
109.10130	0.5
110.05984	0.5
110.07156	0.6
111.03638	0.4
111.09182	0.5
118.01221	0.5
118.03490	0.5
118.06537	4.0
119.01912	9.6
119.04931	19.0
119.08558	1.7
119.81432	0.4
121.06497	9.9
121.07553	0.6
121.24718	0.4
122.06017	100.0
123.04414	8.1
123.05379	0.7
123.06344	3.7
123.08035	0.8
124.08695	1.1
125.09475	1.0
126.05588	0.5
132.05223	1.1
134.05984	0.6
135.04420	1.1
135.06740	0.6
136.04788	0.9
136.07567	7.5
136.08539	0.6
137.02959	6.4
137.05960	3.4
137.06981	0.9
137.09608	0.9
142.03481	7.8
146.05991	9.1
146.08043	0.5
147.04395	26.0
147.08044	1.0
148.08691	0.8
149.04692	1.0
158.96248	1.1
160.04532	3.0
163.03906	0.6
164.03238	1.0
164.04332	2.5
164.07043	53.0
164.08121	2.0
165.05502	4.2
165.07358	2.1
165.09099	2.1
165.11374	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.01592	0.6
51.02372	1.2
53.03944	9.9
53.04723	0.6
55.01860	1.7
55.05516	7.1
55.17090	0.6
57.07076	1.5
61.44085	0.6
63.51963	0.6
65.03931	0.9
67.05503	26.6
67.67712	0.5
68.05834	0.8
69.07072	8.6
69.79007	0.6
70.51330	2.0
77.03922	2.1
79.05490	63.1
80.05009	0.9
80.05818	1.7
81.03420	2.0
81.07057	30.3
82.07380	0.7
83.04984	0.8
83.08610	4.5
91.05482	16.6
92.02626	5.6
92.05779	0.8
93.07043	50.9
94.07369	1.3
95.04968	27.5
95.08607	29.8
96.05284	0.8
97.10164	0.7
100.02472	1.1
100.39822	0.6
103.05447	0.8
104.04301	0.6
105.03387	7.6
105.04481	3.9
105.07027	3.9
107.04965	5.7
107.08595	37.1
108.08914	1.3
109.10152	1.9
117.07018	2.2
118.03496	0.9
118.06529	1.6
119.04928	1.8
119.08589	5.2
121.06487	0.9
121.10141	48.6
122.10464	1.9
130.06494	1.5
131.04913	0.8
132.08087	1.2
133.02850	31.6
134.03175	1.6
135.04420	31.4
135.05412	0.8
135.08052	1.2
135.11687	7.3
136.04797	1.4
136.07581	0.7
138.03069	2.0
145.06506	1.1
145.10110	4.4
163.03900	100.0
163.07556	2.5
163.11154	9.2
163.12404	1.1
163.14818	24.6
164.04388	5.3
164.07076	3.6
164.08223	0.9
164.15192	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.04052	0.6
51.02376	1.9
53.03946	13.0
55.01857	2.4
55.05513	9.8
55.58046	0.6
56.60656	0.6
57.07061	2.1
60.30592	0.6
65.03926	2.2
67.05505	29.1
69.03456	0.7
69.07066	11.3
69.69960	0.6
71.58875	1.0
77.03909	3.2
79.05492	74.1
80.05032	0.7
80.05828	2.2
81.03404	1.6
81.07058	35.8
82.07375	1.1
83.08617	4.6
85.06542	0.8
91.05476	21.7
92.02619	5.8
93.07044	61.6
94.07355	2.2
95.04967	30.7
95.08610	31.2
96.05289	1.3
97.06515	1.2
97.10155	0.7
100.02462	1.5
100.34453	0.6
103.05463	1.0
105.03397	7.9
105.04494	5.0
105.07016	4.9
107.04950	6.5
107.08592	46.0
107.20774	0.7
108.08932	0.9
109.06492	1.3
109.10143	3.1
116.59129	0.7
117.05740	0.7
117.07014	5.5
118.03547	0.8
118.06556	1.1
119.04909	1.5
119.08582	7.2
121.06499	1.1
121.10143	52.7
122.09678	1.2
122.10497	2.5
130.06500	1.8
131.04935	0.9
132.08119	1.3
133.02850	35.5
133.10167	1.0
134.03204	2.1
135.04422	34.1
135.08061	1.6
135.11697	9.0
136.03859	0.9
136.04794	1.4
136.07558	1.7
138.03117	2.0
142.79575	0.7
145.10123	5.7
161.13168	0.8
163.03905	100.0
163.07562	2.3
163.11159	12.9
163.12349	1.2
163.14818	28.7
164.04382	5.7
164.07082	2.6
164.15178	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	163.148
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02369	1.5
53.03706	0.7
53.03942	9.9
55.01867	1.8
55.05500	8.7
56.96548	1.0
57.03421	0.7
57.07087	1.4
59.57746	0.6
65.03934	1.5
67.05498	18.4
69.03400	0.7
69.07057	9.8
69.58103	5.1
72.93784	1.1
77.03912	2.3
79.05486	48.5
80.05796	1.2
81.03410	3.2
81.07050	34.7
83.08611	6.1
89.03944	0.7
91.05471	13.7
92.02631	2.8
93.07037	45.8
94.06527	0.7
94.07370	1.5
95.04964	24.5
95.08598	32.3
96.05257	0.8
96.08899	0.8
97.10116	1.1
98.20828	1.3
100.02471	12.1
103.05438	2.4
105.03401	6.8
105.04491	4.4
105.07018	6.1
106.06549	1.1
107.04955	7.2
107.08583	45.8
108.08881	1.1
109.06493	1.7
109.10135	2.3
113.96443	0.9
115.05467	0.6
117.07005	3.5
118.03516	10.4
118.06474	0.8
119.04890	1.1
119.08570	3.7
120.08054	0.7
121.06503	5.5
121.10131	47.4
122.09656	0.8
122.10451	1.1
123.04018	1.7
123.08050	0.6
130.06595	0.9
130.07770	1.2
131.04927	1.8
131.97395	0.7
132.08031	0.9
133.02840	27.6
133.10162	0.9
134.03152	1.3
135.04408	28.8
135.08047	2.8
135.11682	7.7
136.04712	1.5
136.07535	1.5
138.03087	1.3
141.05064	0.8
145.02859	0.7
145.03960	0.8
145.06505	1.4
145.10118	4.3
146.06065	0.6
147.08003	0.7
163.03896	100.0
163.07501	3.4
163.11159	22.6
163.12283	0.8
163.14804	33.2
164.04303	6.8
164.07036	2.0
164.11612	1.2
164.15208	0.9
166.70157	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1116
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03927	0.7
55.01853	0.7
55.05506	1.0
56.96552	0.5
57.07057	0.3
57.68874	0.2
67.05496	1.5
67.49206	0.2
68.05028	0.2
69.03408	1.1
69.07066	2.7
70.94066	0.3
70.94379	0.2
74.02413	0.2
77.03881	0.2
79.05489	6.8
81.03410	0.3
81.04572	0.2
81.07065	1.5
83.04972	0.5
83.08617	0.4
85.02896	0.3
89.03896	1.4
91.04942	0.3
91.05467	3.2
93.07039	6.0
93.07622	0.4
95.04964	1.9
95.08590	0.7
97.07668	0.2
100.02446	0.6
103.05465	2.1
105.04487	0.4
105.07024	3.1
107.04950	6.2
107.06030	0.2
107.08585	7.6
109.06481	0.5
115.05441	0.4
115.61626	0.2
116.06252	0.2
117.03360	0.8
117.07006	4.2
118.03555	0.2
119.08572	2.2
121.06490	1.7
121.10130	4.7
122.07140	0.9
123.08015	0.3
128.06171	0.4
129.06979	0.3
130.07808	1.3
131.04893	1.9
132.08058	0.2
133.02812	0.6
133.06490	2.6
135.04425	2.3
135.08041	2.9
135.11668	3.3
136.07562	0.7
136.08542	0.5
143.08522	0.4
145.02837	0.9
145.06453	0.3
145.10109	6.6
146.07141	0.3
146.10472	0.4
147.08026	3.2
148.08821	12.6
149.09174	0.5
156.10234	0.2
163.03909	5.8
163.11162	100.0
164.04364	0.2
164.07040	0.3
164.11520	3.5
167.26953	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1116
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02370	1.5
53.03746	0.7
53.03947	9.6
55.01871	15.0
55.05508	6.5
55.93517	0.8
56.96563	5.9
57.03431	4.4
58.17609	0.8
65.03918	1.2
67.05496	16.2
69.03440	4.4
69.07065	7.8
69.71712	4.4
71.04992	1.2
72.93782	4.2
73.02905	0.8
74.97588	0.9
77.03905	1.7
78.40596	0.7
79.05489	50.6
80.05815	1.2
80.93071	1.6
81.03413	4.9
81.07053	20.9
83.04974	4.9
86.94761	0.9
89.03920	1.7
90.03000	0.8
90.94845	2.2
91.05477	29.2
92.02616	4.0
93.07037	54.5
94.07335	1.2
95.04964	34.9
95.08595	16.1
97.06538	1.2
100.02467	8.3
103.05453	5.2
105.03392	5.6
105.04524	5.1
105.07025	25.3
107.04942	19.7
107.08587	40.1
109.06522	5.1
113.96397	4.0
114.78017	0.8
115.05450	3.6
116.06219	0.9
117.03367	1.2
117.07011	27.2
118.03520	6.7
118.04944	0.8
119.01775	1.0
119.04941	1.0
119.06033	1.1
119.08590	15.5
121.06502	12.9
121.10131	12.6
121.95676	1.5
122.04887	1.8
128.04985	1.0
129.06984	2.0
130.06763	1.6
130.07770	10.4
131.04869	1.0
131.97415	3.6
132.05038	0.8
132.08051	1.4
133.02843	26.4
133.06479	1.4
133.10118	2.5
134.03177	1.1
134.07321	1.3
135.04420	25.1
135.05455	0.8
135.08029	6.5
135.11681	19.6
136.07521	1.4
136.08595	0.9
138.03159	1.1
141.05669	1.3
143.08549	2.5
145.06465	1.9
145.10117	37.4
146.10413	1.4
148.08841	1.0
150.06175	6.5
163.03897	100.0
163.07536	3.0
163.11172	58.4
163.14857	5.5
164.04306	4.6
164.06956	1.2
164.11592	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35028	1.1
52.35278	1.3
53.03950	10.7
54.03473	24.2
67.05492	1.4
68.05037	2.1
68.44550	1.0
70.93123	2.6
70.93484	1.5
77.03927	1.6
79.05495	12.0
81.04548	20.6
83.06116	2.2
91.05470	3.5
92.02621	6.3
93.04593	1.4
93.07066	2.0
95.04969	25.0
95.06085	4.9
95.08578	1.3
96.05280	1.3
103.05502	1.4
105.03406	6.2
105.04498	5.3
106.06566	1.1
107.04959	3.7
107.06075	1.2
107.08582	4.8
110.07217	1.2
117.06991	1.4
119.04968	1.6
119.06088	1.5
121.06447	1.7
121.07656	1.5
121.10155	2.7
122.07169	20.8
123.07970	2.4
131.97461	1.4
133.02856	39.0
135.04428	31.1
135.08046	2.2
136.04871	1.6
136.08682	5.3
140.08197	4.4
146.07108	3.5
163.03909	100.0
163.07532	2.4
163.09793	18.1
163.11098	2.7
163.12314	2.7
163.14816	1.8
164.04256	4.5
164.07001	6.2
164.11838	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1117
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02349	1.2
53.03929	6.2
55.01869	29.1
55.05505	13.7
56.96548	3.3
57.03432	9.0
57.07051	1.6
58.88905	1.1
63.54012	0.9
65.03947	2.4
67.05499	30.1
69.03116	1.1
69.03421	10.8
69.06708	1.4
69.07059	15.9
70.39510	4.0
71.04961	4.2
71.47633	0.9
72.93768	2.1
73.02941	1.0
77.03901	1.6
79.05484	72.3
80.05817	1.2
80.93021	1.0
81.03411	8.0
81.06573	1.7
81.07049	32.4
83.04980	5.9
85.06507	1.1
89.03901	2.4
90.07999	0.9
91.04890	1.7
91.05470	48.2
93.07033	89.1
94.07355	2.1
95.04958	28.0
95.08597	27.0
97.06500	3.5
98.20842	1.0
100.02465	4.5
103.05453	9.9
105.03353	1.7
105.04502	3.7
105.07018	48.5
106.06602	1.3
106.07324	1.9
107.04185	1.2
107.04945	41.0
107.08583	64.6
108.05329	1.1
108.08866	2.1
109.06494	7.8
113.96402	1.4
115.05463	6.1
116.06202	3.6
117.03362	2.3
117.07008	52.5
118.03523	2.7
118.07319	1.4
119.08569	27.4
120.05724	1.3
121.06493	31.6
121.10130	18.0
122.07182	1.6
123.22470	1.1
123.90546	0.9
128.06203	3.6
129.06979	3.3
130.07767	16.5
131.04880	2.4
131.97392	1.4
133.02844	2.0
133.06499	1.7
133.10143	6.0
134.07233	2.7
135.04411	6.1
135.08051	13.5
135.11678	34.4
141.05717	1.1
143.08617	5.1
145.10112	68.9
146.10431	3.0
147.07980	1.9
148.08774	3.8
150.06200	1.8
162.96997	6.5
163.03905	18.7
163.07471	2.5
163.11160	100.0
163.69798	0.9
164.04260	1.5
164.07018	1.0
164.11479	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	163.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03738	0.9
53.03950	10.2
54.03458	2.4
55.01860	2.7
55.05511	1.9
56.05035	2.2
56.96555	3.5
57.03436	5.9
58.06602	1.0
58.99590	2.5
59.04995	1.3
59.34100	1.0
59.99901	1.7
60.99159	1.5
61.01155	1.8
63.92923	1.0
65.03931	2.2
67.05510	1.7
68.05045	4.3
68.99779	1.1
69.03419	3.3
69.07030	1.0
69.77321	5.8
70.06586	1.6
71.04984	2.6
71.08634	5.2
72.08144	1.9
75.02673	1.1
77.03905	2.1
78.95262	2.5
79.05064	1.5
79.05496	22.5
80.05030	4.7
80.05824	0.9
81.03422	2.3
81.04536	6.3
81.07059	27.6
82.05318	3.7
82.06566	1.7
83.04980	1.9
83.06102	3.0
84.08135	2.4
85.02909	3.3
85.06539	2.6
86.06104	1.0
89.03897	3.6
91.05490	10.7
92.02612	4.5
92.04992	1.7
92.36462	0.9
93.04524	3.1
93.07046	7.8
94.06540	2.1
95.04970	21.9
95.06078	7.3
95.08609	1.7
96.04462	1.8
96.06886	2.8
97.02889	1.2
97.07645	3.1
98.21497	1.1
99.08092	10.6
100.14453	0.9
103.05469	33.3
103.06149	1.9
104.05798	1.0
105.03386	6.9
105.04505	6.7
105.07012	6.5
106.06557	2.8
107.04957	16.4
107.06081	6.0
107.08587	8.9
108.04469	1.4
108.05638	4.5
109.06520	17.9
109.07623	4.9
110.06041	1.9
115.05473	2.2
116.01643	1.3
117.02026	2.5
117.03386	5.1
117.05740	1.4
117.07020	6.5
117.09148	10.0
118.01247	2.2
118.06515	1.9
119.04943	2.6
119.06067	3.4
119.08580	3.3
120.04459	1.2
120.05573	4.1
120.08095	2.1
121.06521	9.1
121.07439	1.3
121.10135	3.4
122.06033	4.1
122.07146	13.4
123.07993	7.9
127.07563	5.6
130.06516	4.5
130.07724	1.4
131.04935	27.1
132.08060	4.8
133.02850	24.1
133.06493	1.1
134.03177	1.1
135.04427	35.7
135.05505	2.2
135.08049	7.2
135.09027	1.3
135.11664	2.7
136.04790	1.7
136.06192	1.1
136.07584	2.8
136.08698	12.6
137.07146	1.0
139.01837	3.3
145.02827	2.7
145.03972	3.2
145.06480	4.1
145.10121	3.3
146.06039	1.9
146.07129	5.3
149.10695	1.7
158.96266	1.7
163.03903	100.0
163.05011	4.7
163.07555	12.9
163.09782	21.7
163.11153	8.9
163.12341	3.7
163.14868	1.2
164.03249	2.4
164.04314	4.2
164.07013	6.8
164.08264	1.7
164.10652	1.0
181.02875	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.06
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	2.1
53.03740	1.3
53.03945	13.3
54.03460	1.3
55.01869	8.1
55.05510	6.0
56.96301	2.7
56.96565	50.3
57.03433	3.4
65.03928	3.6
67.05505	20.6
68.05029	3.1
69.03413	5.3
69.07069	7.3
70.06564	1.3
71.04973	3.5
71.11071	2.4
72.08160	1.5
72.49984	1.3
74.97594	1.9
77.03928	3.7
78.95246	1.4
79.05494	36.9
80.05009	2.8
80.05799	1.6
81.03424	15.4
81.04520	4.7
81.07054	20.6
82.05302	2.3
83.04958	1.7
83.08616	2.5
84.01538	2.7
84.08116	1.9
85.02906	21.4
91.05481	30.3
92.02615	4.3
92.05816	1.7
93.07043	24.3
95.04971	29.7
95.06075	5.1
95.08611	7.0
96.06871	2.0
97.06507	2.4
97.07623	2.5
98.97588	3.4
99.04452	35.9
103.03941	36.1
103.05448	14.8
103.68934	1.3
105.03388	8.1
105.04510	5.3
105.07027	14.3
106.06555	1.4
107.04949	16.7
107.06090	2.5
107.08593	28.0
108.05583	4.5
109.02878	3.8
109.06519	2.8
109.07654	2.8
115.05442	16.3
116.98586	3.0
117.03435	1.2
117.05772	1.9
117.07011	29.6
119.00169	3.2
119.04912	5.0
119.08582	6.8
120.05598	3.1
120.08083	1.5
121.06492	5.7
121.10147	8.8
122.07144	10.0
123.07954	5.6
127.03915	20.7
130.06519	4.7
130.07758	1.6
131.00174	9.6
131.04935	12.1
131.08583	2.5
132.08069	4.0
133.02856	30.4
133.10158	1.9
134.07239	3.5
134.99702	1.7
135.04430	35.8
135.05580	3.8
135.08052	11.5
135.11664	7.0
136.08673	5.5
139.01860	2.0
144.06203	5.4
145.06476	7.7
145.10130	7.7
146.07133	3.5
147.07941	1.3
149.01216	25.8
163.03900	100.0
163.04991	3.6
163.07565	15.9
163.09785	16.6
163.11185	27.4
163.12314	2.9
163.14789	1.6
164.03256	2.0
164.04362	2.3
164.07022	4.2
164.08246	1.4
167.02289	15.0
181.02942	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0755
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
50.01595	0.3
51.02386	0.8
53.03952	2.6
54.03474	0.7
55.01864	0.9
55.05511	0.6
56.05032	0.5
56.96562	1.1
57.03444	0.3
57.07077	0.4
60.04530	0.3
60.95848	0.3
63.02385	0.4
63.92953	0.5
65.03948	0.3
67.05503	0.8
68.05042	1.5
69.03433	1.1
69.04534	0.4
69.07076	0.5
69.38599	2.1
69.38995	0.6
70.06583	0.7
72.04552	0.2
73.02913	0.3
77.03946	0.9
78.95278	1.0
79.05502	5.4
80.05032	1.4
80.61258	0.2
81.03419	1.0
81.04545	2.2
81.07064	0.5
82.05312	1.4
82.06628	0.4
83.06113	1.1
84.04501	0.3
84.08136	0.8
85.02901	1.0
89.03918	2.9
91.05488	3.3
92.02616	1.9
93.04533	0.3
93.07037	1.5
94.06551	0.5
95.04377	0.5
95.04976	9.3
95.06066	2.7
95.08578	0.5
96.04520	0.4
96.06890	1.0
96.96306	0.3
97.00813	0.4
97.02894	0.3
97.07672	1.0
98.20755	0.4
102.04670	0.6
103.05472	100.0
104.05791	3.5
105.03403	2.3
105.04488	2.4
105.07030	2.2
106.06553	0.7
107.04968	4.6
107.06080	2.1
107.08581	2.4
108.04506	0.4
108.05612	1.7
108.08112	0.4
109.06505	0.3
109.07663	1.7
110.06029	0.4
110.07198	0.3
115.05475	0.7
117.03358	1.8
117.05733	0.5
117.07030	1.6
118.06587	0.3
119.04933	1.4
119.06071	1.1
119.08605	0.8
119.97852	0.6
120.04462	0.3
120.05582	1.1
120.08144	0.5
121.00802	0.3
121.06508	1.5
121.10161	1.2
122.06097	0.6
122.07146	3.8
122.94243	0.4
122.96511	0.3
123.07941	2.7
130.06544	1.3
131.04933	96.2
132.05260	3.5
132.08101	1.4
133.02863	8.2
133.06477	0.3
133.91992	0.2
134.03171	0.3
135.04425	13.5
135.05437	0.6
135.06514	0.4
135.08037	1.7
135.11665	0.6
136.03857	0.4
136.04846	0.3
136.07645	0.5
136.08693	3.4
138.03180	0.3
138.98950	0.5
139.01859	1.5
145.02867	1.4
145.03987	0.7
145.06462	1.2
145.10106	1.1
146.02406	0.5
146.07106	1.8
146.08107	0.2
147.07947	0.4
148.05205	0.4
149.06026	0.4
158.96341	0.7
163.03911	30.0
163.04997	1.3
163.07549	20.7
163.09792	6.8
163.11172	2.5
163.12402	0.7
163.14848	0.6
164.03346	1.0
164.04567	1.3
164.06845	1.4
164.08112	1.1
164.11780	0.3
171.64719	0.2
181.02858	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0754
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
50.01585	0.4
51.02373	0.6
53.03951	2.7
54.03456	0.5
55.01865	1.0
55.05497	0.5
56.05033	0.7
56.96570	1.8
58.99579	0.3
60.29190	0.3
60.95851	0.4
63.92937	0.5
65.03938	0.8
67.05495	0.9
68.05027	0.9
68.99751	0.2
69.03419	0.9
69.07063	0.6
70.06581	0.7
71.04998	0.4
71.57665	0.4
72.08142	0.9
75.58755	0.3
77.03925	0.8
78.95275	0.8
78.96870	0.3
79.05492	6.3
80.05007	1.0
80.05795	0.3
81.03403	0.7
81.04530	1.4
81.07056	1.5
82.05323	1.1
82.06554	0.7
83.04960	0.3
83.06096	0.3
83.08613	0.2
84.08140	0.7
85.02885	0.8
89.03921	0.8
90.34666	0.2
91.05484	5.3
91.31979	0.3
92.02612	1.6
92.04984	0.4
93.04540	0.6
93.07036	3.3
95.04965	8.9
95.06048	2.3
95.08600	0.7
96.06881	1.0
97.07654	1.0
102.04661	0.8
103.05463	100.0
104.05779	3.3
104.06387	0.4
105.03428	2.1
105.04500	2.7
105.07024	3.2
106.06557	0.5
107.04952	6.0
107.06090	1.3
107.06726	0.3
107.08586	3.5
108.04456	0.3
108.05603	1.7
108.08134	0.5
109.06493	0.5
109.07625	1.1
109.11256	0.3
110.06058	0.3
115.05460	1.3
117.03351	0.4
117.05739	0.6
117.07021	2.9
119.04935	0.8
119.06066	0.7
119.08566	1.5
119.97905	0.4
120.04500	0.4
120.05585	1.1
120.08067	0.5
121.00798	0.4
121.01634	0.3
121.06531	2.3
121.10187	1.5
122.06248	0.4
122.07156	3.8
123.07941	2.3
130.06505	0.8
130.07753	0.6
131.04924	92.7
132.05231	3.9
132.08052	1.3
133.02844	8.4
133.06479	0.7
134.03218	0.3
134.07193	0.3
135.04424	9.2
135.05426	0.5
135.08044	2.1
135.11679	1.4
136.04811	0.3
136.07564	0.8
136.08687	3.0
137.06012	0.3
138.03142	0.4
139.01813	1.0
144.30070	0.3
145.02910	0.3
145.03947	0.7
145.06482	1.4
145.10126	2.2
146.02356	0.4
146.03426	0.3
146.06035	0.4
146.07112	1.4
147.04488	0.5
147.08043	0.3
148.05115	0.4
148.08842	0.4
149.05956	0.5
158.96347	0.6
163.03897	26.9
163.07541	24.1
163.09781	6.1
163.11176	4.1
163.12364	1.0
163.14793	0.6
164.03214	0.4
164.04291	1.1
164.06853	2.0
164.08098	1.0
175.44424	0.3
181.02899	1.0
181.97787	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0913
Annotation	Boschniakine
Peak:m/z	Relative Intensity
53.03952	6.7
54.03449	2.1
55.01856	5.1
55.05497	2.4
56.05017	5.1
56.96561	10.0
57.03418	2.2
57.45167	1.2
58.06574	2.7
58.99588	20.8
60.04505	1.8
64.93126	1.1
65.03930	3.3
67.05471	2.5
67.33907	1.2
68.05013	5.1
69.03413	5.3
70.06564	3.2
71.04961	1.7
71.57668	2.0
72.04500	2.8
74.06061	3.2
76.03995	1.9
79.05489	19.0
80.04988	3.5
81.03415	2.7
81.04514	3.8
81.07040	3.6
82.06548	1.4
83.04955	1.8
83.06086	1.8
84.04507	36.7
84.08146	2.4
85.02882	2.7
86.99062	10.3
88.02191	3.3
89.03899	4.6
91.05479	28.8
92.02604	3.1
92.04979	1.7
92.05790	2.8
93.07043	12.6
94.06518	2.1
95.04964	20.8
95.06072	4.2
97.07648	1.4
98.06034	4.3
98.97559	1.1
102.04716	1.5
102.05520	7.9
102.96892	1.7
103.05470	36.4
104.05749	1.5
105.03385	5.8
105.04504	5.0
105.07035	11.5
106.06534	12.1
106.07339	9.8
107.04952	34.0
107.06048	3.0
107.08577	6.3
108.05544	4.4
108.08068	1.3
109.07642	2.1
115.05444	15.5
116.01666	15.0
116.04965	2.3
116.05746	1.3
116.07066	3.7
116.98604	1.8
117.03381	1.5
117.04473	1.5
117.07026	41.0
118.06498	5.4
118.07285	2.2
119.04929	10.6
119.06003	2.0
119.07345	1.8
119.08582	5.1
120.04428	3.1
120.05593	4.3
120.08086	5.8
120.08848	1.4
120.96491	1.8
120.97887	1.5
121.06523	13.8
121.07314	2.1
121.10130	2.9
122.07131	7.2
122.08424	1.4
123.07924	3.9
127.05423	2.8
130.06465	3.2
130.07693	1.3
131.04924	28.6
132.08054	4.7
133.02852	17.7
133.05196	12.9
133.06287	3.1
133.08850	2.8
134.05991	18.8
134.06895	4.9
134.09624	6.2
134.10507	2.8
134.99640	1.5
135.02744	2.0
135.04427	28.9
135.05424	2.8
135.08047	6.2
135.08977	1.5
135.11621	2.6
136.08691	5.9
138.98933	3.8
139.01793	2.8
144.04431	3.9
144.05539	1.3
144.06653	6.1
144.08073	18.7
145.06482	82.9
145.10110	4.6
146.05931	5.7
146.06967	3.8
147.04343	1.7
147.06778	12.0
147.07831	1.4
155.06018	10.5
157.03528	1.6
160.07581	11.7
161.08028	1.6
162.05492	41.0
162.09116	100.0
162.12756	4.6
163.02129	7.9
163.03886	68.5
163.04997	2.8
163.07518	11.6
163.09697	14.0
163.11154	11.7
163.12373	2.1
181.02859	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0914
Annotation	Boschniakine
Peak:m/z	Relative Intensity
51.02376	0.9
51.42474	0.4
53.03943	2.2
54.03466	0.4
55.01889	2.2
55.05504	0.6
56.05027	0.9
56.96566	2.2
56.96809	0.4
57.69009	0.4
58.99589	22.6
60.04513	0.6
65.03926	1.0
67.05496	1.1
68.05020	2.2
68.99782	0.8
69.03430	0.7
70.06588	0.6
71.57835	0.4
73.01127	1.1
74.06061	1.2
76.03979	1.8
77.03900	0.6
78.04700	0.4
79.05069	0.5
79.05495	6.9
80.04994	1.0
81.03409	1.9
81.04551	0.7
81.07047	0.4
82.06585	0.6
83.06098	0.8
84.04507	0.7
84.08124	0.8
85.02901	0.8
86.99055	10.3
87.04418	0.5
88.02221	2.7
88.02661	0.4
89.03909	3.6
91.05479	11.0
92.02583	0.8
93.04533	0.5
93.07049	4.1
94.06532	0.5
94.07381	0.4
95.04975	7.1
95.06097	0.8
97.07639	0.7
98.06039	1.8
98.97581	0.5
103.05473	9.7
104.05822	0.6
105.03390	1.3
105.04510	1.5
105.07037	2.5
106.06542	3.7
106.07342	1.3
107.04954	17.0
107.06070	0.7
107.08579	2.1
108.05556	0.6
109.07602	0.6
110.05992	0.6
115.05454	7.1
116.01679	15.7
116.04991	1.0
117.03387	2.7
117.05716	0.8
117.07021	21.9
118.06523	1.5
118.07329	0.6
119.04941	4.6
119.07325	0.6
119.08601	1.2
120.04431	1.6
120.05665	1.0
120.08131	3.1
120.08871	0.8
120.96480	1.4
121.06502	8.0
121.10136	0.5
122.06008	0.5
122.07082	1.7
123.07951	0.9
126.05508	0.5
127.05428	1.7
130.06439	0.9
131.04936	3.9
132.08131	2.2
133.02858	5.2
133.05240	6.8
133.06329	0.9
133.08813	0.5
134.03661	2.6
134.06013	5.6
134.06984	0.9
134.08095	0.5
134.09616	3.9
134.10495	0.8
134.99603	0.5
135.04434	12.7
135.08093	2.5
135.11732	0.6
136.08693	1.9
138.98970	1.0
144.01120	1.4
144.04424	3.2
144.05548	0.8
144.08078	19.3
145.02896	2.1
145.06487	53.5
146.05862	2.6
146.06976	2.6
147.06778	9.1
147.07887	0.8
148.07240	0.6
155.06033	8.1
160.07584	5.2
161.08086	0.5
162.05505	17.1
162.09131	100.0
163.03906	30.8
163.07520	2.8
163.09625	7.3
163.11156	2.4
163.12294	0.6
167.02333	0.4
180.04495	0.6
181.02946	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0762
Annotation	L-Glutamate methylester
Peak:m/z	Relative Intensity
52.75026	0.7
53.03954	1.8
53.90456	0.8
55.01877	10.7
55.05516	3.6
56.05038	24.4
56.96566	0.9
57.03437	9.8
57.05370	2.1
58.06596	2.9
58.99577	2.5
58.99864	3.8
59.74038	0.9
60.04522	4.6
60.08163	2.8
61.02930	13.3
62.03280	0.8
65.03951	0.8
68.05030	1.9
69.01930	0.7
69.03430	16.8
69.59583	4.2
70.06594	11.9
70.99863	0.7
71.01353	1.2
71.05006	1.6
72.04526	7.8
73.02919	9.4
73.06575	0.9
74.06077	6.1
77.00905	4.1
79.05489	5.1
80.05023	1.8
81.01906	3.1
81.03407	4.3
81.07055	1.4
82.02696	1.6
83.04967	1.2
84.04507	100.0
84.08144	2.2
85.02907	27.0
85.04849	2.7
85.06535	1.1
85.08471	2.3
86.06059	2.1
86.99051	1.4
87.01908	2.7
87.04498	1.3
88.02672	3.7
88.04000	1.1
88.07632	1.3
89.02481	1.0
90.02422	2.3
90.05548	0.9
91.05482	2.5
93.01901	2.2
93.07036	1.0
94.02660	3.6
94.52776	1.0
95.01371	0.9
95.01962	2.5
95.04948	4.8
96.02431	7.7
96.04510	1.8
96.52473	0.9
97.02883	13.0
98.06060	66.8
98.09696	1.0
99.01913	1.3
99.04464	5.6
99.06392	1.6
100.02642	2.4
100.04009	2.8
101.00884	1.8
101.02407	2.0
102.00961	1.2
102.02411	8.1
102.05540	5.6
102.09175	5.5
103.00696	0.8
103.02444	1.6
103.03263	1.4
103.03932	6.2
105.02864	1.2
105.04542	0.9
105.07033	0.9
106.06555	3.2
107.04974	2.0
107.53226	1.0
108.02390	2.4
108.23004	0.7
109.02941	2.2
111.02917	4.7
111.53039	1.4
113.00906	1.4
113.01698	0.8
114.02393	1.6
114.05532	3.1
115.02455	1.8
115.03968	1.8
115.21055	0.9
116.01702	2.1
116.07098	44.2
116.10728	2.1
117.02948	2.3
117.05532	1.4
118.03603	1.2
118.06553	1.2
119.01928	19.9
119.04981	0.8
120.01990	13.1
120.03361	0.7
120.06598	2.3
120.59492	0.8
121.01684	7.2
121.03465	1.0
123.02924	2.0
126.03439	1.6
126.05523	1.1
127.03934	3.8
129.04010	1.1
130.05005	11.4
131.01910	21.7
131.02832	1.5
132.02061	2.8
132.03491	1.3
132.06580	1.1
133.01741	1.8
133.02849	4.9
133.03587	2.7
134.03638	1.4
134.06059	4.4
134.08182	1.8
135.04425	8.3
137.02983	5.6
137.03972	1.0
138.03072	6.7
139.02527	4.6
142.03531	1.3
143.01924	6.1
144.02025	2.4
144.03230	1.2
144.06560	12.8
145.03511	4.4
145.05013	4.2
145.06787	1.4
147.01471	1.2
149.02963	6.5
150.03014	0.9
151.04578	1.0
154.03537	1.4
155.01897	4.6
156.97481	2.2
157.03471	54.4
157.66554	0.8
158.03619	3.4
161.02968	12.6
162.03156	3.4
162.05505	11.8
162.07707	9.1
162.09125	2.4
162.11246	7.0
163.02670	2.1
163.03879	20.6
163.07545	1.8
163.11050	1.1
169.03503	1.1
172.48987	0.8
173.02972	8.8
174.03102	1.2
174.98531	3.4
175.02974	1.2
175.04526	19.2
176.04686	1.7
179.03984	0.9
180.05084	5.0
184.04625	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.076
Annotation	L-Glutamate methylester
Peak:m/z	Relative Intensity
51.02370	0.5
53.03938	1.0
55.01869	3.4
55.05509	3.5
55.83973	0.4
56.05028	20.4
56.96558	7.3
57.03435	5.8
58.06584	1.7
58.99847	0.9
60.04522	4.3
60.95854	0.6
61.02685	0.4
61.02928	4.4
61.92864	0.7
62.06076	0.6
65.03934	5.3
67.05501	0.6
68.05023	1.2
69.03422	5.2
70.06583	1.9
71.01347	0.6
71.04983	1.2
71.58270	0.5
72.04507	6.2
73.02904	4.2
73.06548	1.4
74.06072	10.2
75.01031	0.7
77.00883	1.7
79.05479	2.2
80.05035	0.6
81.03404	2.8
81.07050	1.5
83.00790	0.6
83.08612	1.6
84.01574	1.0
84.04496	100.0
84.08126	3.0
85.02898	8.9
85.04823	1.4
86.03692	0.5
86.06056	3.1
86.13218	0.4
87.04474	0.9
88.03996	0.5
88.07621	1.8
89.03907	6.5
90.05544	1.3
91.03933	0.8
91.05466	0.6
92.01284	0.7
93.02100	0.4
93.03386	1.1
95.01358	0.7
95.04962	1.7
96.02426	1.2
96.04483	1.3
97.02882	8.2
97.94888	0.4
98.01308	0.8
98.06039	5.1
98.97574	3.1
99.04453	2.0
99.08102	0.5
100.02552	0.8
100.03350	0.8
100.03970	10.0
101.00890	2.0
101.02446	0.5
101.06004	0.6
102.00988	1.7
102.02412	1.2
102.05534	7.4
102.09167	4.8
102.96881	1.0
103.00603	1.1
103.02434	0.8
103.03939	9.6
104.01240	0.5
104.07083	0.6
105.00363	0.7
105.02116	0.6
106.06542	0.6
107.04952	3.4
108.02469	0.6
109.02904	1.1
110.01255	0.7
110.02129	0.4
111.02158	0.5
111.02931	1.7
111.04456	1.0
113.00839	0.6
114.05529	0.9
115.02425	1.4
116.07080	42.3
116.98597	3.5
117.02026	0.5
117.03382	4.8
118.03594	0.6
118.04984	0.6
118.96778	0.5
119.01906	13.0
120.01991	20.4
120.06561	9.9
120.96523	3.1
120.97871	1.0
121.01674	12.0
121.02861	32.6
122.02275	0.5
122.03154	2.4
123.03033	0.7
126.05513	1.5
126.09187	0.9
127.03909	1.6
130.04994	12.1
130.05934	0.8
130.55304	0.5
131.00270	0.4
131.01895	5.0
132.01982	0.6
132.06606	3.4
133.01616	0.4
133.03575	2.4
134.03596	1.0
134.05986	1.0
134.08121	2.0
134.99681	2.8
135.03368	0.9
135.04391	9.6
135.05389	0.6
137.02943	4.5
138.03047	12.5
138.98955	1.4
139.02670	7.8
142.03511	0.7
143.01903	0.9
143.03606	0.8
144.02173	0.7
144.03253	3.3
144.05267	0.6
144.06541	9.6
144.07587	0.8
144.10143	0.5
145.02759	2.1
145.03560	2.5
145.04958	4.9
146.99611	0.7
147.03342	0.5
147.05040	0.9
149.01245	1.6
149.02988	1.3
151.04576	0.6
153.00745	0.6
153.04117	0.6
155.01871	1.5
156.96198	0.8
157.03462	11.3
158.03616	0.8
161.02986	2.4
162.03111	2.6
162.04326	1.9
162.05504	1.6
162.07616	8.4
162.09064	0.7
162.11275	3.8
163.02565	0.8
163.03827	10.3
167.02150	0.8
171.05048	0.6
173.02986	2.0
175.04521	4.1
179.02141	0.7
180.03928	0.7
180.05333	1.3
181.03683	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.5
53.03938	1.0
55.01869	3.4
55.05509	3.5
55.83973	0.4
56.05028	20.4
56.96558	7.3
57.03435	5.8
58.06584	1.7
58.99847	0.9
60.04522	4.3
60.95854	0.6
61.02685	0.4
61.02928	4.4
61.92864	0.7
62.06076	0.6
65.03934	5.3
67.05501	0.6
68.05023	1.2
69.03422	5.2
70.06583	1.9
71.01347	0.6
71.04983	1.2
71.58270	0.5
72.04507	6.2
73.02904	4.2
73.06548	1.4
74.06072	10.2
75.01031	0.7
77.00883	1.7
79.05479	2.2
80.05035	0.6
81.03404	2.8
81.07050	1.5
83.00790	0.6
83.08612	1.6
84.01574	1.0
84.04496	100.0
84.08126	3.0
85.02898	8.9
85.04823	1.4
86.03692	0.5
86.06056	3.1
86.13218	0.4
87.04474	0.9
88.03996	0.5
88.07621	1.8
89.03907	6.5
90.05544	1.3
91.03933	0.8
91.05466	0.6
92.01284	0.7
93.02100	0.4
93.03386	1.1
95.01358	0.7
95.04962	1.7
96.02426	1.2
96.04483	1.3
97.02882	8.2
97.94888	0.4
98.01308	0.8
98.06039	5.1
98.97574	3.1
99.04453	2.0
99.08102	0.5
100.02552	0.8
100.03350	0.8
100.03970	10.0
101.00890	2.0
101.02446	0.5
101.06004	0.6
102.00988	1.7
102.02412	1.2
102.05534	7.4
102.09167	4.8
102.96881	1.0
103.00603	1.1
103.02434	0.8
103.03939	9.6
104.01240	0.5
104.07083	0.6
105.00363	0.7
105.02116	0.6
106.06542	0.6
107.04952	3.4
108.02469	0.6
109.02904	1.1
110.01255	0.7
110.02129	0.4
111.02158	0.5
111.02931	1.7
111.04456	1.0
113.00839	0.6
114.05529	0.9
115.02425	1.4
116.07080	42.3
116.98597	3.5
117.02026	0.5
117.03382	4.8
118.03594	0.6
118.04984	0.6
118.96778	0.5
119.01906	13.0
120.01991	20.4
120.06561	9.9
120.96523	3.1
120.97871	1.0
121.01674	12.0
121.02861	32.6
122.02275	0.5
122.03154	2.4
123.03033	0.7
126.05513	1.5
126.09187	0.9
127.03909	1.6
130.04994	12.1
130.05934	0.8
130.55304	0.5
131.00270	0.4
131.01895	5.0
132.01982	0.6
132.06606	3.4
133.01616	0.4
133.03575	2.4
134.03596	1.0
134.05986	1.0
134.08121	2.0
134.99681	2.8
135.03368	0.9
135.04391	9.6
135.05389	0.6
137.02943	4.5
138.03047	12.5
138.98955	1.4
139.02670	7.8
142.03511	0.7
143.01903	0.9
143.03606	0.8
144.02173	0.7
144.03253	3.3
144.05267	0.6
144.06541	9.6
144.07587	0.8
144.10143	0.5
145.02759	2.1
145.03560	2.5
145.04958	4.9
146.99611	0.7
147.03342	0.5
147.05040	0.9
149.01245	1.6
149.02988	1.3
151.04576	0.6
153.00745	0.6
153.04117	0.6
155.01871	1.5
156.96198	0.8
157.03462	11.3
158.03616	0.8
161.02986	2.4
162.03111	2.6
162.04326	1.9
162.05504	1.6
162.07616	8.4
162.09064	0.7
162.11275	3.8
163.02565	0.8
163.03827	10.3
167.02150	0.8
171.05048	0.6
173.02986	2.0
175.04521	4.1
179.02141	0.7
180.03928	0.7
180.05333	1.3
181.03683	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0548
Annotation	Jineol
Peak:m/z	Relative Intensity
51.02379	0.3
53.03955	1.2
55.01873	0.5
55.05512	0.4
56.05032	2.1
56.96558	1.8
57.03442	0.3
58.06602	0.3
59.06133	0.7
60.04526	1.0
60.95841	0.6
61.92866	1.1
65.03938	3.7
67.05507	0.3
68.05025	0.6
69.03448	0.7
69.43929	0.2
70.06604	0.8
72.04526	1.0
72.08141	0.5
74.06099	1.4
77.03963	0.3
78.43887	0.3
79.05489	10.2
80.05013	1.1
81.03416	0.3
81.04538	0.6
83.06114	0.6
84.04503	1.8
85.02898	0.5
86.06067	0.6
89.03914	6.7
91.05486	3.0
92.05013	1.1
93.03416	0.9
93.07053	0.4
95.04970	2.6
95.06125	0.6
95.85066	0.3
96.04483	0.6
96.06873	0.4
97.02924	0.5
98.06059	0.5
98.97620	0.3
102.05547	1.9
102.92439	0.3
102.95494	0.3
102.96870	0.9
103.05477	0.7
105.03406	1.0
105.04524	0.8
105.05778	0.6
105.07032	1.2
106.06555	24.6
107.04950	9.0
107.06084	0.7
107.06830	0.6
107.08596	0.5
109.07619	0.4
111.04432	3.5
116.04977	15.6
116.07079	1.8
117.03343	2.4
117.05798	0.6
117.07082	0.6
118.06567	1.8
119.03607	0.6
119.04977	0.6
119.06094	0.5
119.08582	0.4
120.01981	0.7
120.04478	2.6
120.05595	0.4
120.08127	0.5
120.96514	3.3
120.97855	1.5
121.00856	0.5
121.01690	0.5
121.02873	0.3
121.06529	0.4
121.10130	0.5
121.96631	0.4
122.07211	0.5
122.08453	0.4
123.07983	0.5
130.06569	0.4
131.03664	0.3
131.04967	0.8
132.08116	0.6
133.02879	1.0
133.05231	2.6
134.06010	91.3
135.04436	6.2
135.05511	0.6
135.06364	2.2
135.09123	0.3
136.08713	0.5
138.03064	0.6
138.98941	2.9
139.01808	2.2
139.02740	0.4
144.04443	19.7
144.05487	1.1
144.08081	0.5
145.02843	1.5
145.03912	0.6
145.04970	0.6
145.06445	0.4
145.09918	0.9
146.06024	0.5
147.04048	0.3
147.07954	0.4
152.95435	0.5
156.96248	1.4
156.99998	0.9
162.05493	100.0
162.09152	1.8
162.12718	0.9
163.01825	0.6
163.03899	10.3
163.05995	2.5
163.07533	0.7
163.09772	1.5
163.11177	0.7
174.97292	0.4
180.04442	0.8
181.02817	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.055
Annotation	5-Hydroxyindole-3-carbaldehyde
Peak:m/z	Relative Intensity
51.02398	0.4
53.03944	1.7
54.03460	0.3
55.01873	0.8
55.05520	0.5
56.05040	0.9
56.96574	0.9
57.03449	0.5
57.98814	0.4
58.06604	0.7
58.99589	18.0
59.06134	0.4
60.04535	1.2
61.01155	0.4
61.92868	0.5
64.46046	0.3
64.78757	0.3
65.03941	3.3
67.05533	0.3
68.05029	0.6
69.03437	1.2
70.06580	1.1
71.57011	0.5
72.04517	0.5
72.08145	0.5
73.01161	0.9
74.06070	0.7
76.04012	1.2
79.05496	11.2
80.05022	1.0
80.05821	0.5
81.03423	0.9
81.04559	0.7
82.06577	0.3
83.04978	0.5
83.06131	0.5
84.04512	1.5
85.02874	0.7
86.06078	0.6
86.99057	8.0
88.02224	2.0
88.07621	0.3
89.03920	4.0
91.05489	3.1
92.02633	0.6
92.05018	1.3
93.03415	1.3
95.04967	5.0
95.06123	0.3
96.04505	0.9
97.02905	0.7
98.06059	1.3
99.04456	0.4
100.03954	0.3
102.05567	1.1
103.05474	0.6
104.05022	0.3
105.03418	2.0
105.04516	0.8
105.05791	0.5
105.07036	1.1
106.02924	0.3
106.06562	26.4
106.54379	0.4
107.04955	8.3
107.06093	1.1
107.06840	0.6
107.08620	0.6
108.04507	0.4
108.05592	0.3
111.04445	3.8
115.03951	0.3
116.01682	12.3
116.04982	16.5
116.33920	0.3
117.03388	0.6
117.05764	1.1
117.07047	1.0
118.06555	1.2
119.03598	0.4
119.04979	0.5
119.06018	0.3
120.02032	0.3
120.04468	3.4
120.05614	0.8
120.06493	0.4
120.08124	0.7
120.96529	1.3
120.97886	0.7
121.06451	0.4
122.07140	1.0
123.07996	0.9
126.05496	0.5
127.03935	0.4
130.06575	0.6
131.04875	0.7
132.08080	0.8
133.02850	4.1
133.05238	2.7
134.06020	86.9
135.04443	6.4
135.05496	0.9
135.06340	2.2
135.08049	0.6
135.09082	0.5
136.08707	0.8
138.03262	0.5
138.98927	1.1
139.01842	1.3
144.01140	0.8
144.04454	21.4
144.05495	1.4
144.06552	0.7
145.02905	0.4
145.03905	0.5
145.04997	1.0
145.06479	0.9
145.09717	0.7
146.05998	0.8
146.07111	0.6
156.96251	0.6
157.03473	0.3
162.05504	100.0
162.08972	2.3
163.01849	0.7
163.03905	15.3
163.06018	2.8
163.07512	0.7
163.09769	1.2
163.11174	1.0
180.04428	0.5
181.02879	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	161.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93479	0.6
51.02399	0.9
52.99810	0.6
53.03951	1.7
53.14174	0.7
54.26505	0.8
55.05513	5.4
56.96558	1.4
62.28318	0.7
63.16496	0.6
65.03935	1.6
66.77332	0.6
67.05502	15.5
68.03335	0.7
68.05845	0.9
69.03433	1.1
69.07063	6.1
71.58411	0.9
78.93136	1.4
79.02989	0.8
79.05497	22.3
80.05820	0.7
80.83344	0.7
81.03400	0.8
81.07056	26.9
81.07525	1.5
83.08636	1.3
85.02918	1.2
85.03446	0.8
91.05481	58.5
92.05798	1.6
93.04517	1.5
93.07040	18.3
95.04966	3.1
95.08621	9.6
96.94177	0.8
97.02889	0.8
103.05495	3.5
104.06276	1.6
105.07031	86.9
106.06571	1.3
106.07388	2.6
107.04951	1.3
107.08587	4.8
113.66669	0.7
115.05456	3.8
117.05688	1.0
117.07030	9.9
118.04197	1.0
118.06572	7.2
119.08583	100.0
119.95733	1.3
120.05576	2.4
120.08815	3.6
121.06445	3.4
123.36102	0.7
128.06230	1.6
131.04865	0.8
131.08568	5.0
132.09363	1.5
133.06508	8.5
133.10132	56.9
134.06082	1.3
134.07137	2.6
134.10498	2.2
143.08591	2.3
144.04485	0.8
146.03555	1.0
146.07256	2.3
158.43266	0.7
159.11705	2.4
161.05966	6.0
161.07141	3.2
161.08224	3.1
161.09584	11.6
161.13263	68.2
162.05447	5.2
162.07776	0.9
162.09079	1.8
162.13611	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
50.01604	0.4
53.03941	1.1
55.01871	1.0
55.05502	6.1
56.96553	1.5
57.91133	0.3
59.53176	0.3
65.03931	1.3
67.05497	17.3
68.05831	0.4
69.03404	0.5
69.07062	6.8
71.59970	0.5
77.03901	0.7
78.93117	1.6
79.05484	21.2
81.07047	24.8
81.97578	0.3
82.07397	0.5
83.08608	1.1
84.04486	0.6
91.05470	58.5
92.05804	1.1
93.04512	0.8
93.07031	17.8
94.07337	0.8
95.04972	2.8
95.08598	10.1
96.94156	0.6
97.02953	0.4
103.05465	3.7
104.06222	0.5
105.03388	1.4
105.07018	86.6
106.06688	0.4
106.07335	2.2
107.08571	4.6
115.05458	2.7
117.07013	8.7
118.04111	1.1
118.06539	0.6
118.07803	0.5
119.08565	100.0
119.95715	1.4
120.05611	0.8
120.08894	1.9
120.09441	1.0
120.96524	0.4
121.06393	2.1
121.10143	0.4
128.06187	1.3
131.04913	0.6
131.08537	5.3
132.09325	1.5
133.02820	1.7
133.06485	3.3
133.10115	62.2
134.06013	1.0
134.07094	1.0
134.10452	2.1
137.96739	1.2
143.08562	1.2
145.06429	0.7
146.03595	1.1
146.07214	0.8
146.10876	1.0
159.11710	2.4
160.97255	0.5
161.02312	1.2
161.06018	3.3
161.07124	0.6
161.08217	1.2
161.09602	6.2
161.13234	82.7
162.05493	1.9
162.10127	0.5
162.13614	2.9
165.06282	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
51.80756	0.2
53.03935	0.6
55.01880	0.7
55.05255	0.5
55.05508	5.9
56.05025	0.5
56.96558	0.9
57.03417	0.3
57.21648	0.3
58.99566	0.6
59.06107	0.4
60.04528	0.3
62.11008	0.2
65.03934	0.3
67.05496	0.5
69.03422	0.7
69.07065	3.0
70.09216	1.5
72.04482	0.3
74.06061	0.4
75.97559	0.3
78.93131	1.0
79.05487	3.0
81.07048	1.4
84.04486	0.4
84.08169	0.3
84.55030	0.3
88.63206	0.3
89.03903	0.3
91.05470	9.4
93.04539	0.7
93.07014	1.6
94.22103	0.3
95.04965	1.1
95.08587	0.4
96.94156	0.5
102.05515	0.3
103.05446	2.4
104.06245	0.8
105.03394	0.4
105.07023	25.0
106.07359	0.5
107.04957	0.3
107.06057	0.4
107.08595	1.7
113.02349	0.4
115.05450	3.5
116.01641	0.4
116.98596	0.3
117.07018	3.5
118.04140	1.2
119.01921	0.7
119.08569	100.0
119.95729	0.8
120.05585	0.6
120.08879	2.1
121.06373	1.8
121.10130	3.1
126.04327	0.3
128.06235	0.7
129.23055	0.3
131.04913	0.6
131.08563	2.4
132.09322	0.5
133.02840	0.3
133.06468	5.0
133.10120	20.4
134.03587	0.4
134.05995	0.7
134.07098	1.3
134.10481	0.4
137.96768	0.6
138.99013	0.3
143.08533	0.6
144.05502	0.4
144.06575	0.4
145.10129	0.3
146.03615	0.5
146.07246	0.4
146.10934	1.4
159.11676	1.3
160.97231	0.4
161.05975	4.0
161.08180	1.5
161.09605	4.6
161.13239	21.7
162.05484	1.7
162.06644	0.4
162.09059	0.5
162.13597	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1324
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
50.93479	0.6
51.02399	0.9
52.99810	0.6
53.03951	1.7
53.14174	0.7
54.26505	0.8
55.05513	5.4
56.96558	1.4
62.28318	0.7
63.16496	0.6
65.03935	1.6
66.77332	0.6
67.05502	15.5
68.03335	0.7
68.05845	0.9
69.03433	1.1
69.07063	6.1
71.58411	0.9
78.93136	1.4
79.02989	0.8
79.05497	22.3
80.05820	0.7
80.83344	0.7
81.03400	0.8
81.07056	26.9
81.07525	1.5
83.08636	1.3
85.02918	1.2
85.03446	0.8
91.05481	58.5
92.05798	1.6
93.04517	1.5
93.07040	18.3
95.04966	3.1
95.08621	9.6
96.94177	0.8
97.02889	0.8
103.05495	3.5
104.06276	1.6
105.07031	86.9
106.06571	1.3
106.07388	2.6
107.04951	1.3
107.08587	4.8
113.66669	0.7
115.05456	3.8
117.05688	1.0
117.07030	9.9
118.04197	1.0
118.06572	7.2
119.08583	100.0
119.95733	1.3
120.05576	2.4
120.08815	3.6
121.06445	3.4
123.36102	0.7
128.06230	1.6
131.04865	0.8
131.08568	5.0
132.09363	1.5
133.06508	8.5
133.10132	56.9
134.06082	1.3
134.07137	2.6
134.10498	2.2
143.08591	2.3
144.04485	0.8
146.03555	1.0
146.07256	2.3
158.43266	0.7
159.11705	2.4
161.05966	6.0
161.07141	3.2
161.08224	3.1
161.09584	11.6
161.13263	68.2
162.05447	5.2
162.07776	0.9
162.09079	1.8
162.13611	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.3
53.03947	0.5
53.98406	0.3
55.01869	0.9
55.05508	1.1
60.04554	0.3
61.53394	0.3
61.71361	0.3
67.05504	0.9
67.51742	0.3
69.03424	11.9
69.07070	0.4
70.03771	0.4
71.18288	0.7
77.03930	0.3
78.93129	2.2
79.05473	2.5
81.07057	1.7
91.05478	7.4
92.05831	0.4
93.07043	4.0
95.04948	1.0
95.08641	0.4
96.94172	0.7
103.05473	1.2
105.03441	0.5
105.07024	41.5
106.07341	1.5
107.04947	2.8
107.08565	0.4
115.05415	2.1
116.06222	0.6
117.07029	2.8
118.06545	0.4
118.07763	0.3
119.04931	0.9
119.06884	0.3
119.08575	8.9
119.95728	1.3
120.96512	0.3
121.06499	15.9
122.06811	0.5
128.06215	9.8
128.07654	0.4
131.04922	3.1
131.08549	2.8
132.05690	1.7
133.06512	3.5
133.10121	24.7
134.10455	0.9
137.96768	1.9
141.07007	0.4
143.08548	12.4
143.09679	0.6
144.08975	0.5
145.06480	4.6
146.07257	26.4
147.07593	1.1
159.08063	1.8
160.97353	0.4
161.09605	100.0
161.13222	6.4
162.05513	0.7
162.09993	5.1
162.13664	0.3
178.79984	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
55.01857	1.0
55.05500	0.9
67.05476	0.9
69.03123	0.3
69.03426	3.8
69.07053	0.7
71.06546	0.3
71.59390	0.3
71.59758	0.4
74.06049	0.6
75.00029	0.4
76.99731	2.8
78.93110	2.3
79.05489	2.9
81.07040	1.2
91.05476	7.8
92.05781	0.3
93.07051	3.5
95.04955	0.9
95.08590	0.5
96.94152	0.9
98.21510	0.3
101.23207	0.3
103.03926	0.4
103.05437	1.3
105.03429	0.5
105.07020	39.7
106.06521	0.5
106.07339	1.2
107.04950	2.3
107.08542	0.4
108.82267	0.3
115.05435	1.8
116.06246	0.3
117.06996	1.5
118.06502	0.5
118.07800	0.4
119.04892	0.6
119.08576	7.9
119.95744	1.7
120.08908	0.5
120.96523	0.4
121.06491	15.7
128.06210	5.4
130.61842	0.3
131.04916	2.9
131.08536	2.4
132.05675	1.3
132.96106	2.2
133.06496	4.2
133.10117	23.3
134.05972	0.3
134.10434	1.1
137.96779	1.6
141.06999	0.4
143.08545	6.0
145.06483	4.0
146.03577	0.7
146.07257	25.9
147.07573	0.8
151.76154	0.3
159.07997	1.0
160.91022	0.3
160.97322	0.9
161.06076	2.1
161.09602	100.0
161.13214	5.6
162.05479	1.1
162.07768	0.3
162.09976	5.3
180.04417	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41023	0.5
53.03942	0.5
55.01868	2.0
55.05495	1.5
56.05022	0.9
56.53396	0.4
56.96552	1.4
57.03421	0.5
58.06596	0.5
58.99569	1.3
59.04990	0.4
60.04520	0.5
60.72599	0.4
65.03937	0.5
67.05488	1.5
68.05004	0.8
69.03423	2.4
70.06595	0.4
71.57639	0.6
71.58086	0.6
72.08133	0.8
77.03900	0.4
78.93122	0.6
79.02956	0.8
79.05490	3.6
80.05026	0.7
81.03419	0.7
81.07034	1.3
82.05305	0.5
84.04480	1.2
84.08144	1.1
86.99069	0.7
88.80876	0.4
91.05477	12.3
92.04995	0.5
93.04507	1.8
93.07037	2.4
95.04942	1.2
96.08109	0.6
97.02895	0.9
98.06055	0.7
101.02388	0.4
103.05464	3.1
105.03373	1.4
105.07029	33.1
106.06525	1.4
106.07353	1.1
107.04915	1.5
107.06073	0.9
113.33559	0.4
115.03924	0.9
115.05454	4.3
116.01691	0.8
116.07076	0.8
117.07041	3.6
118.04130	0.8
118.06552	4.9
118.07790	0.5
119.01904	1.2
119.04879	0.8
119.06866	1.9
119.08578	8.9
119.95720	0.5
120.05627	2.3
120.06396	0.5
120.96504	0.7
121.06428	6.7
121.07719	0.5
128.06219	20.7
129.06561	1.2
131.04936	2.7
131.08578	2.5
131.09402	0.4
132.05647	1.8
133.06490	9.8
133.07520	0.6
133.08504	0.9
133.10123	14.8
134.05989	2.1
134.07106	3.3
134.99602	0.5
137.96889	0.5
141.07021	0.9
142.07797	0.5
143.03447	0.5
143.04852	0.4
143.08557	22.3
144.04417	0.7
144.05528	0.7
144.06577	0.7
144.08905	1.0
145.06470	8.6
146.03603	1.2
146.07262	11.4
146.99704	0.5
155.06068	1.1
159.08043	8.2
161.06020	6.4
161.09604	100.0
161.13213	4.5
162.05469	5.9
162.10020	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	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
50.01591	0.3
53.03948	1.6
54.31333	0.2
55.01868	4.1
55.05502	0.4
56.05037	0.4
56.96561	1.2
58.06604	0.4
58.99600	1.3
59.06110	0.4
60.04507	0.7
65.03944	0.5
67.05489	0.8
68.05042	0.3
69.03422	1.0
70.06593	0.4
71.58014	0.3
72.08147	0.4
73.02914	0.4
74.06097	0.4
77.03930	0.5
78.05160	0.2
78.93093	0.3
79.05493	14.7
80.05006	0.4
80.05816	0.3
81.03414	0.4
81.07066	0.4
83.01331	0.3
83.06095	0.3
84.04504	0.4
84.08134	0.7
85.02898	0.7
86.99043	0.5
87.04466	0.3
88.02173	0.3
89.03922	0.8
90.04710	0.3
91.05482	5.8
92.05019	0.4
92.05819	0.2
93.04525	1.1
93.07056	0.5
95.04966	4.8
97.02894	0.6
98.06027	0.4
102.04701	0.3
102.05534	0.3
103.03960	0.4
103.05469	13.0
104.06249	1.0
105.03382	0.8
105.04520	0.9
105.07027	38.1
106.06556	0.7
106.07368	1.3
107.04958	1.2
107.06076	0.6
112.11266	0.4
113.02399	0.5
115.05451	15.7
116.01646	0.5
116.05003	0.3
116.05743	0.5
116.07101	0.3
117.07051	1.2
118.04150	2.1
118.06571	3.5
118.07333	0.5
119.01920	0.7
119.04907	0.8
119.06142	0.3
119.06868	1.3
119.08577	3.3
120.05600	1.0
120.08068	0.4
121.01666	0.5
121.06394	2.5
128.06221	1.8
131.04927	13.5
131.08537	0.3
132.05652	1.1
133.06493	14.4
133.10109	3.6
134.05998	1.1
134.07050	2.1
134.09630	0.3
134.99683	0.3
135.05667	0.3
143.03484	0.3
143.04942	0.9
143.06042	1.0
143.08565	2.4
144.04439	1.0
144.05670	2.7
144.08096	0.3
145.06439	0.7
146.03642	2.4
146.07266	1.1
147.04445	0.4
151.03963	0.4
159.08040	0.5
160.05182	0.4
161.05974	100.0
161.09605	12.3
161.13188	1.4
162.05339	1.2
162.06566	3.4
162.08974	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
53.86539	0.1
54.26012	0.1
55.01863	0.7
55.05511	1.2
56.96290	0.2
56.96562	4.0
57.03429	0.2
60.04522	0.2
64.36870	0.1
65.03931	0.3
67.05492	1.0
69.03423	8.6
69.07049	0.5
70.03751	0.2
71.59731	0.1
71.60113	0.2
71.95245	0.3
75.75059	0.1
77.03944	0.2
78.93118	1.6
79.05482	1.9
81.03394	0.3
81.07047	0.9
91.02337	0.3
91.05475	5.6
93.04539	0.2
93.07040	1.7
95.04961	0.6
95.08569	0.3
96.94145	0.3
97.02896	0.1
97.13597	0.1
102.05522	0.2
102.30364	0.1
103.05460	0.7
105.02200	0.2
105.03405	0.3
105.07024	17.2
106.06610	0.2
106.07373	0.4
107.04939	0.6
107.08554	0.3
109.06479	0.2
110.03039	0.2
115.05441	1.3
116.06300	0.1
117.07014	1.6
117.50233	0.1
118.06525	0.3
118.07771	0.3
119.03596	0.6
119.04905	0.8
119.06098	0.2
119.08577	5.3
119.95718	1.0
120.05566	0.2
120.06563	0.2
120.08886	0.3
120.96486	0.2
121.06480	1.4
128.04144	0.2
128.06216	6.0
129.06558	0.2
130.54373	0.1
131.04884	1.0
131.08566	1.3
132.05724	1.5
133.06506	2.3
133.10118	7.2
134.06053	0.2
134.07080	0.5
134.10442	0.3
134.48499	0.2
137.02757	0.2
137.96768	1.0
139.01732	0.2
139.06781	0.1
141.06746	0.1
143.08549	7.4
144.04440	0.2
144.08875	0.4
145.06474	4.2
145.07623	0.2
146.03615	0.3
146.07254	5.1
147.07599	0.3
155.03760	0.3
155.06030	0.4
159.08043	5.4
160.08394	0.3
160.97279	0.7
161.06076	1.6
161.09604	100.0
161.13197	4.1
162.05476	0.6
162.09973	4.7
162.13602	0.1
171.03351	0.2
175.02803	0.2
180.04512	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
50.01595	0.3
51.02367	0.5
53.03940	1.9
55.01617	0.4
55.01867	5.4
55.05504	0.7
56.05027	0.3
56.96558	4.5
58.99576	0.8
59.06122	0.6
60.04498	0.5
61.92860	0.3
63.15257	0.3
65.03934	0.6
66.04725	1.5
69.37675	2.5
72.04492	0.3
72.93822	0.3
77.03910	0.8
78.04746	0.4
78.93114	1.3
79.05485	19.9
80.05827	0.8
81.03394	0.3
81.07029	0.3
83.04955	0.4
84.04478	0.3
85.02899	0.4
86.99037	0.4
89.03901	0.8
90.04685	4.0
91.05473	4.4
92.02601	1.0
93.04498	0.5
93.07036	0.5
94.04186	0.3
95.04961	6.4
97.02901	0.4
98.97601	0.4
102.04653	0.6
102.05577	0.3
103.05459	23.8
104.05782	0.8
105.03381	0.7
105.07020	100.0
106.06646	0.5
106.07347	2.9
107.04916	1.6
107.06052	0.5
115.05443	29.2
116.01642	0.4
116.05755	0.6
117.07025	0.5
118.04148	19.5
118.06492	0.4
119.01920	0.6
119.04443	0.3
119.06857	0.7
119.08564	2.0
119.95723	0.7
120.05572	0.9
120.96495	0.4
120.97914	0.3
121.06387	2.3
128.06200	0.3
131.04910	4.8
132.05681	1.1
132.06747	0.4
133.06479	48.5
133.10054	1.6
134.05989	0.5
134.06981	1.8
137.96764	0.9
143.04903	0.8
143.06023	4.1
143.08556	1.0
144.08035	0.4
145.01692	0.4
145.06563	0.5
146.03639	0.5
146.07240	0.7
161.02312	0.4
161.05963	10.8
161.07027	0.5
161.08179	1.4
161.09578	2.8
161.10745	0.5
161.13254	0.7
162.04285	0.4
162.05530	1.0
162.09076	0.6
176.19286	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02339	0.3
53.03894	2.1
55.01823	4.2
55.02111	0.3
55.05467	0.5
56.05001	0.3
56.96511	1.0
57.98764	0.4
58.02924	0.4
58.99583	11.3
60.04512	1.8
65.03909	0.5
65.40958	0.2
66.04720	1.5
68.05007	0.3
68.99747	0.2
69.03381	0.5
71.12239	0.2
71.59449	0.3
71.59824	0.3
73.01099	0.7
74.06043	0.4
76.03991	2.4
77.03884	0.7
78.93129	1.9
79.05488	19.8
80.05794	0.7
81.03407	0.4
81.06998	0.3
82.05276	0.4
84.04488	0.4
85.02886	0.3
85.07620	0.2
86.06069	0.3
86.98528	0.3
86.99046	5.6
88.02211	1.5
89.03908	1.4
90.04700	3.3
91.04980	0.3
91.05479	5.1
92.02603	0.7
93.04493	0.5
93.07024	0.3
95.04961	5.9
96.94128	0.8
97.02889	0.7
98.97603	0.4
100.03995	0.7
100.97147	0.5
101.00881	0.6
102.04686	0.9
102.05489	0.4
103.05460	25.5
104.05766	0.7
105.04491	1.2
105.07023	100.0
106.06608	0.6
106.07336	2.8
107.04942	1.3
107.06076	0.6
113.02350	0.3
115.05447	29.9
116.01668	9.9
116.05004	0.3
116.05786	0.7
116.07092	0.7
116.98624	0.7
117.07018	0.8
118.04153	19.9
118.06544	0.9
118.96817	0.3
118.98240	0.7
118.99023	0.3
119.01904	2.5
119.04457	0.5
119.08561	1.8
119.95740	1.4
119.96888	0.4
120.05580	0.8
120.96520	1.0
121.06373	2.2
129.03375	0.4
131.04918	4.8
131.08604	0.5
132.05734	1.1
133.06485	50.4
133.10085	1.7
134.06049	0.4
134.06996	2.3
134.08093	0.4
134.99648	0.7
137.02975	0.6
137.96826	1.1
143.01897	0.4
143.04955	0.6
143.06013	4.6
143.08525	0.7
144.01176	1.2
144.06555	0.5
146.03694	0.8
146.07274	0.3
160.97395	0.4
161.03117	1.0
161.06038	10.8
161.08261	1.6
161.09671	3.1
161.13364	0.9
162.03358	0.4
162.05391	1.4
162.09187	0.4
177.85152	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
50.01590	0.5
51.02379	0.9
51.23946	0.5
53.03951	2.7
55.01872	8.2
55.05508	0.7
56.05019	1.2
56.96564	3.6
57.03430	0.8
58.06591	0.8
58.99585	1.2
59.06119	0.6
60.04523	0.8
61.02946	0.5
62.93149	0.5
65.03940	1.0
67.05503	1.0
68.05035	1.0
69.03413	2.4
70.06571	0.7
71.58436	0.9
73.02929	0.9
74.06084	0.7
78.93111	0.8
79.05489	27.7
80.05840	0.8
81.03417	0.8
81.04561	0.6
81.07036	1.3
82.05289	0.5
83.05013	0.6
84.04486	1.4
84.08139	1.6
85.02892	1.7
86.99062	1.0
89.03918	1.5
90.04710	0.8
91.05479	11.1
93.04533	2.0
93.07056	1.4
95.04961	7.8
97.02851	0.9
98.06068	1.0
101.02378	0.4
102.82863	0.5
103.05464	25.8
104.06300	1.2
105.03403	1.0
105.04527	2.1
105.07027	93.5
106.06552	2.3
106.07364	2.7
107.04951	2.5
107.06053	1.1
113.02339	0.8
113.07115	1.0
115.05450	30.0
116.01671	0.5
116.05016	0.8
116.05750	1.1
116.07001	0.5
117.05733	0.6
117.07041	2.5
118.04160	4.2
118.06572	6.5
118.07348	1.0
119.01918	1.1
119.04985	0.8
119.06062	0.6
119.06857	3.0
119.08565	7.4
120.05582	2.7
120.08039	0.6
120.96458	0.6
121.01648	0.7
121.06391	4.7
128.06175	3.1
131.04921	15.2
131.08560	1.8
132.05666	2.1
133.06493	32.4
133.08450	1.4
133.10107	6.8
134.05997	1.6
134.07091	4.3
134.09615	0.7
134.99677	0.6
137.02936	0.6
143.03456	1.0
143.04922	1.3
143.06050	3.7
143.08578	3.8
144.04436	1.2
144.05670	2.4
144.06647	0.6
145.06500	1.1
146.03587	4.0
146.07269	2.2
151.03917	0.8
160.05109	0.8
161.05977	100.0
161.08199	4.6
161.09615	17.9
161.13205	3.6
162.05446	2.7
162.06393	2.8
162.10339	0.5
180.04462	0.5
183.61601	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00658	0.3
71.43222	0.5
82.99829	0.7
85.40299	0.2
95.20789	0.3
101.00877	10.0
102.00982	1.0
119.01922	100.0
120.01995	6.7
121.01666	1.2
137.02959	53.9
138.03058	3.9
142.03479	3.0
143.03642	2.3
144.03192	0.7
160.04552	1.4
161.02977	3.6
161.04707	2.2
162.04308	0.9
172.47218	0.3
179.04016	5.4
179.05614	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0596
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
50.01579	0.3
51.02373	0.3
53.03935	2.0
55.01863	4.8
55.05508	0.4
56.96559	8.3
57.94136	0.3
58.99581	4.9
59.06117	0.5
60.04513	0.6
63.02391	0.3
64.21854	0.3
65.03925	0.4
66.04707	1.8
67.05496	0.6
68.05016	0.3
69.03419	0.3
69.07063	0.4
69.70821	1.9
73.02909	0.4
76.03983	0.4
77.03481	0.3
77.03918	0.9
78.93103	0.9
79.05482	21.6
80.05804	0.5
81.03400	0.5
81.07053	0.6
82.05314	0.3
83.04971	0.8
83.06116	0.3
84.04450	0.4
84.08090	0.2
85.02876	0.4
86.06069	0.3
86.99051	1.9
88.02199	0.7
89.03903	1.1
90.04149	0.3
90.04689	3.9
91.04956	0.5
91.05473	5.4
92.02615	0.5
93.04515	0.7
93.07021	0.7
95.04357	0.4
95.04958	6.5
96.05260	0.3
96.72163	0.3
96.94131	0.4
97.02919	0.3
98.97562	0.5
102.04682	0.9
103.05457	24.2
104.05770	0.9
105.03370	0.8
105.07016	100.0
106.06616	0.5
106.07340	2.7
107.02613	0.3
107.04931	1.6
107.06039	0.3
107.08565	0.5
111.08058	0.6
113.02335	0.3
115.05438	29.5
116.01655	3.9
116.05015	0.3
116.05780	1.0
117.06991	0.7
118.04145	20.7
119.01884	0.4
119.03569	0.3
119.04398	0.5
119.06858	0.4
119.08588	1.9
119.95726	0.7
120.05579	0.6
120.08047	0.3
120.96561	0.3
121.06416	1.7
121.08840	0.4
121.10181	0.5
130.07831	0.3
131.04910	4.8
131.06818	0.2
132.05704	1.2
133.06476	49.4
133.10091	2.7
134.03639	0.4
134.05940	0.5
134.06969	2.2
134.99629	0.5
137.02902	0.3
137.96748	0.4
138.98840	0.3
140.04887	0.6
143.04926	0.9
143.06021	4.2
143.08519	0.6
144.05475	0.3
145.01701	0.7
145.06439	0.4
146.03622	0.8
146.07237	0.8
149.05556	0.4
161.05954	11.8
161.08174	1.6
161.09576	4.0
161.10733	0.4
161.13211	1.2
162.04071	0.7
162.05469	0.9
162.09084	0.4
163.02791	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.1
53.40665	0.1
55.01854	0.1
55.05498	0.1
56.05016	0.1
56.96561	0.9
57.03431	0.2
58.06586	0.1
59.06126	0.4
59.93102	0.5
62.46613	0.1
65.03931	1.1
67.05489	0.1
69.03410	0.1
70.06593	0.2
70.23032	0.3
70.95872	0.1
72.08125	0.1
72.93771	0.1
74.06051	0.1
76.93372	0.3
77.93391	0.2
77.94139	0.2
78.93117	0.3
79.05473	0.6
86.06046	0.2
87.04461	0.3
88.96906	0.1
89.03857	0.1
90.04686	0.1
91.05469	100.0
92.05801	2.5
92.06363	0.2
93.07021	0.1
94.54728	0.1
94.94424	0.1
95.04970	0.1
95.95192	0.1
96.04421	0.1
96.08117	0.1
101.07120	0.1
102.94838	0.1
103.05444	0.4
104.06272	0.1
104.68882	0.1
105.07020	2.0
107.04990	0.1
107.08588	0.1
112.05100	0.1
113.05779	0.1
114.05513	0.1
114.09142	0.1
115.05450	0.7
116.05730	0.1
116.98595	0.1
117.05746	0.4
117.07011	0.2
117.95949	0.1
118.04171	0.2
118.06543	2.3
118.07257	0.1
118.96049	0.1
118.96764	1.6
119.01811	0.1
119.02579	0.1
119.08569	0.2
119.95756	0.3
120.05575	0.2
121.06362	0.1
121.10160	0.1
122.02993	0.1
123.03853	0.1
124.07592	0.1
128.03072	0.6
129.12682	0.1
130.06532	0.3
131.04909	0.2
131.07298	0.3
132.04451	0.2
132.08057	1.3
132.08913	0.2
132.99440	0.1
133.06448	0.6
133.08443	0.2
133.10077	0.2
134.99646	0.1
135.03815	0.2
136.97253	0.2
137.03609	0.2
137.62080	0.1
137.96838	0.2
142.06519	0.1
142.08659	0.2
144.04396	0.2
145.05165	0.2
146.97420	0.2
149.03607	0.1
150.95718	0.1
154.96428	0.6
160.05099	0.4
160.07561	1.6
160.08711	0.7
160.09769	0.1
160.12039	0.2
161.05983	0.6
161.08154	0.2
161.09605	0.3
161.10818	0.1
161.13249	0.1
172.97523	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.01874	2.4
55.05516	2.3
56.04785	0.4
56.05037	6.1
56.05825	0.4
56.96566	4.9
57.03433	4.5
58.03766	0.4
58.06599	1.5
58.99591	0.6
58.99866	1.4
59.04990	1.3
59.99932	0.3
60.04523	0.8
60.05647	1.0
60.95854	0.7
60.99615	0.9
61.01151	0.5
61.02928	2.4
62.06088	0.3
67.05496	0.9
68.05027	0.7
68.21438	0.3
69.03432	6.4
69.68368	1.8
70.03754	0.5
70.06593	4.3
70.98100	0.4
71.01359	1.3
71.04996	3.2
72.04502	1.1
72.07785	0.4
72.08154	3.8
73.02919	4.8
74.02435	0.4
74.06078	1.4
74.97598	0.4
75.04475	0.6
77.00910	1.9
78.00979	0.4
79.00667	1.9
79.05484	0.7
80.05030	0.3
81.01898	0.6
81.03423	3.3
81.07043	1.1
82.99838	0.8
83.00770	0.5
83.01342	0.7
83.04976	1.1
83.08602	0.4
84.04504	18.1
84.08144	15.5
84.96036	0.7
85.02903	5.2
85.06526	0.9
85.08475	0.4
86.06055	0.8
86.09666	0.4
86.99348	0.4
87.04456	0.9
87.05733	0.3
88.02692	0.6
88.04782	0.3
88.07614	0.6
89.00803	0.6
89.03450	0.3
90.02412	0.5
90.05553	0.4
91.00563	0.5
91.05471	1.1
92.01248	0.4
93.01994	0.3
93.52032	0.4
94.02676	0.7
95.01958	0.6
95.04972	0.5
96.02452	0.5
96.04468	0.5
97.01693	1.2
97.02888	8.5
98.01290	1.0
98.03205	0.6
98.03967	0.8
98.06046	2.3
98.09707	1.7
98.21442	0.3
98.97593	2.3
99.00805	0.4
99.04441	2.3
99.08088	1.9
100.02580	0.3
100.03935	0.3
100.04763	0.4
100.07607	0.6
101.00875	9.7
101.02376	1.2
101.03464	0.3
101.06023	1.3
101.07082	0.3
102.00961	1.4
102.02396	1.5
102.05521	1.2
102.09177	2.6
102.52453	0.4
102.96912	0.3
103.00639	2.9
103.01292	0.4
103.02409	1.9
103.03951	1.1
103.05449	0.3
104.01277	0.6
105.00356	0.9
105.02178	0.5
105.07010	2.1
106.00459	0.3
106.06580	0.4
107.00140	0.5
107.01810	0.9
107.03423	0.3
107.04981	0.5
109.02888	1.4
110.01253	0.7
110.02082	0.3
110.03958	0.6
111.02914	1.4
111.53014	1.0
112.00950	0.3
112.02831	0.8
113.01690	0.3
113.02367	1.6
113.07071	0.3
114.04124	0.5
114.05449	0.5
115.02450	2.2
115.03928	0.8
115.05468	0.3
115.08704	0.5
115.09479	0.5
116.03063	0.3
116.03947	0.4
116.05289	0.3
116.07091	6.3
116.10733	1.1
116.98602	2.1
117.02929	0.5
117.53955	0.3
118.01135	0.5
118.03555	1.0
118.06542	0.8
119.01918	100.0
119.08590	1.0
120.02003	11.2
120.03417	1.1
120.06609	0.3
120.08122	0.7
120.97932	0.7
121.01664	29.2
121.03436	2.0
121.06494	0.3
122.03632	0.3
123.01351	0.4
124.02536	0.3
124.03687	0.3
125.02399	0.3
126.09177	0.4
127.03909	1.2
128.02303	1.5
128.98631	0.7
129.01846	0.5
129.03998	1.4
130.01971	0.3
130.04129	0.5
130.05000	1.9
130.08650	1.4
131.01022	0.5
131.01907	4.9
131.03719	0.7
131.05502	0.4
132.01974	2.3
132.03484	0.5
132.05664	0.4
133.01694	3.4
133.02547	0.5
133.03471	10.4
133.06483	0.7
133.07590	0.5
133.10124	1.0
134.03574	1.7
134.06024	0.5
134.99652	1.9
135.03201	1.0
137.02956	54.2
138.03032	5.5
138.98965	0.6
139.02689	17.4
142.03493	4.8
143.01910	5.6
143.03560	1.6
144.02011	2.0
144.03252	1.7
144.04474	0.4
144.06522	1.7
144.10185	1.6
145.01630	2.0
145.03468	1.6
145.04953	0.7
146.03615	1.1
146.99628	1.7
147.01414	0.7
147.03185	1.1
147.05022	3.7
148.05125	1.5
149.02943	1.6
149.04791	1.1
149.06622	0.4
150.03120	0.9
150.06731	0.6
151.02678	0.9
151.04526	2.5
151.06361	0.8
155.01904	1.4
156.02042	1.2
156.05019	0.4
157.01636	1.0
157.03473	9.1
158.03616	0.6
158.99603	0.4
159.03166	0.5
159.03664	0.3
159.05022	2.8
160.04474	1.8
160.54855	0.4
161.02968	16.4
161.04552	1.7
161.05942	0.8
161.07106	0.7
161.09618	1.4
161.11127	0.8
162.03088	4.4
162.04306	0.6
162.05495	0.8
162.07663	1.1
162.11250	0.6
163.02658	2.9
163.04567	0.4
165.00681	0.4
165.02536	0.3
165.06088	0.7
171.05022	0.5
173.02979	2.6
174.03101	3.2
174.06747	0.8
174.98592	0.9
175.02760	2.7
175.04530	3.7
175.06036	0.5
176.04691	0.4
177.00758	1.6
177.02380	0.5
177.04436	0.5
177.06085	1.4
178.06226	0.3
179.02255	1.0
179.04013	5.5
179.05576	0.6
180.05263	0.4
183.05046	0.4
184.04593	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.2
55.05494	0.3
56.96558	0.3
57.03437	0.2
59.93098	0.5
65.03928	1.1
68.05018	0.2
69.03422	0.4
70.06596	0.3
71.44334	0.3
74.06045	0.2
76.93369	0.4
77.93383	0.3
77.94132	0.2
78.93105	0.7
79.05490	0.2
81.07059	0.3
87.04453	0.7
88.04003	0.2
91.05476	100.0
92.05807	2.6
95.94388	0.2
95.95148	0.2
96.94166	0.2
100.07638	0.2
105.03381	0.3
105.07021	2.1
111.22123	0.2
114.05514	0.3
115.05424	0.4
117.05777	0.2
117.07040	0.5
118.06544	2.6
118.07336	0.4
118.96046	0.2
118.96767	1.5
119.08574	1.1
119.95756	0.4
121.06518	0.2
130.06522	0.3
132.06534	0.3
132.08081	1.1
132.08929	0.4
133.06480	0.6
133.10126	1.2
135.96971	0.2
136.97112	0.3
137.96780	0.6
141.98386	0.2
142.08621	0.5
143.08569	0.5
145.06494	0.2
145.09740	0.2
146.07291	0.5
150.95709	0.2
154.96465	0.4
160.06161	0.3
160.07542	0.7
160.08699	4.7
160.09972	0.3
160.12079	1.1
160.97311	0.2
161.05946	0.3
161.07161	0.2
161.09627	2.3
161.13261	0.8
164.62901	0.2
172.97562	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0757
Annotation	2721-59-7
Peak:m/z	Relative Intensity
53.03956	1.1
54.03466	0.6
55.01865	4.3
55.05510	5.3
56.05035	10.2
56.96561	24.6
57.03434	4.2
57.07080	1.0
58.02955	0.7
58.06591	3.2
58.96163	0.9
59.05004	1.2
59.06124	7.9
59.93110	8.2
60.04525	6.9
60.95857	2.5
61.02917	3.0
63.69967	0.6
65.03957	0.6
67.05503	1.1
68.05025	4.5
68.99776	1.6
69.03416	5.3
69.07062	1.8
70.02962	1.0
70.06588	9.5
70.40980	1.0
70.41337	1.5
70.55688	0.5
70.98095	0.5
71.01361	1.0
71.04993	1.7
71.06113	0.9
71.07362	0.5
71.95258	1.2
72.04507	3.5
72.08153	11.6
73.02925	3.0
74.02425	1.0
74.06078	4.4
74.97606	1.2
75.04472	1.1
75.05614	1.5
76.93351	0.8
77.00813	1.6
77.94125	3.4
79.05489	10.8
81.03416	1.3
81.07070	1.5
82.06583	2.2
83.00777	3.9
83.01279	1.0
83.04979	0.9
83.06096	1.4
84.04501	3.7
84.08131	3.4
84.96031	0.7
85.02905	4.5
85.06576	0.6
85.07658	1.5
86.01303	1.3
86.02414	0.7
86.06061	4.7
86.09691	4.6
87.04458	3.0
87.05570	1.0
88.03997	5.1
88.07615	1.6
88.99163	0.7
89.02379	0.7
90.01561	1.4
91.00513	1.9
91.05469	8.1
92.01288	5.8
92.06263	1.7
93.07008	0.7
94.04160	0.5
95.04963	1.9
95.06113	0.8
95.95170	2.9
96.04487	2.0
96.08150	2.7
97.02892	3.6
97.07653	1.4
98.01295	1.5
98.06063	3.0
98.09686	9.4
98.97572	9.6
99.02072	1.1
99.04474	1.2
99.05570	1.3
99.09228	0.8
99.97888	1.3
100.01038	1.2
100.03960	3.1
100.07641	2.9
100.89487	0.9
100.95694	0.8
100.97174	1.2
101.00880	2.8
101.02383	0.9
101.06000	2.8
101.07109	3.1
102.00964	0.6
102.04725	0.8
102.05532	2.7
102.09171	1.4
103.00476	0.6
103.05462	8.6
104.01320	0.6
105.03384	0.8
105.07023	74.9
106.01035	0.9
106.07344	1.8
107.00188	0.9
107.01806	0.7
107.04948	0.9
110.01215	0.8
110.97548	0.6
111.00243	0.5
112.01006	1.5
112.05087	0.7
112.07609	1.2
113.02370	1.6
113.07150	1.6
114.00785	0.7
114.05530	7.6
114.09160	14.7
115.05451	25.8
115.08672	0.9
116.00240	0.8
116.04750	1.9
116.07109	1.1
116.10722	100.0
116.97288	0.6
116.98615	11.1
117.01855	6.1
117.05786	6.4
117.07022	12.0
117.11072	0.8
117.98959	2.0
118.01003	2.2
118.01800	0.8
118.03513	1.6
118.06551	5.1
118.51319	0.9
118.96756	27.0
118.98192	1.5
118.99023	1.3
119.01907	29.9
119.04929	1.8
119.08580	0.6
119.96815	0.6
120.02015	2.1
120.05716	20.2
121.01635	2.9
121.02840	0.6
121.06451	1.8
124.03902	0.6
124.07572	1.1
125.07112	1.5
126.00806	0.8
127.01519	0.7
128.06194	0.6
128.98637	1.5
129.01187	1.4
130.06511	1.7
131.00124	0.7
131.01909	1.1
131.04932	1.4
131.07114	0.8
131.08505	0.8
131.99802	0.8
132.00729	4.6
132.01746	0.6
132.02054	0.5
132.04416	1.1
132.06511	1.7
132.08080	51.1
133.01691	0.8
133.06483	64.0
133.99097	1.9
134.01244	1.5
134.06830	1.5
134.99641	17.3
135.01245	1.3
136.00005	4.4
136.02765	1.3
136.04550	1.9
136.95363	1.2
136.99222	2.7
137.00127	1.8
137.02957	17.2
137.96907	0.6
138.03098	1.0
141.01247	2.8
141.92108	0.7
141.98288	1.1
142.03473	10.5
142.04987	1.1
142.06580	1.5
142.08627	4.8
142.09666	1.0
142.12265	1.6
142.96582	0.6
143.03456	0.8
143.04982	1.2
143.07166	0.8
143.08167	1.4
143.11809	0.6
144.05644	0.6
145.03537	0.9
145.58548	0.8
146.01657	1.2
146.06049	0.7
146.99638	3.3
148.03796	0.6
149.01227	1.6
150.00716	0.7
150.95718	4.5
150.99001	1.5
151.02827	1.2
151.07503	6.8
153.00668	3.6
154.00975	1.2
154.59113	2.5
154.96445	11.7
155.00221	0.9
158.01277	1.0
159.06837	2.8
159.93173	0.9
160.00769	0.7
160.04674	10.4
160.06111	3.7
160.07558	47.9
160.09526	5.9
160.10822	1.4
160.13316	2.1
160.15970	1.9
161.01218	1.1
161.02910	1.5
161.04832	0.7
161.05975	2.7
161.08078	1.3
161.09474	2.1
163.02692	0.7
165.00691	1.0
171.05437	0.7
172.97516	3.9
173.02878	0.6
175.04141	0.6
177.00725	1.0
177.04277	0.8
177.98058	1.7
178.04114	0.7
178.05563	4.2
178.98439	0.8
179.03868	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0758
Annotation	Indole-3-acetaldehyde
Peak:m/z	Relative Intensity
50.89022	0.4
55.01880	0.7
55.05516	0.6
56.05046	1.8
56.96564	4.4
57.03446	1.2
58.02965	0.4
58.06601	1.3
59.05005	0.6
59.06124	5.3
59.93109	4.9
60.04525	2.5
61.02956	0.4
63.66383	0.4
68.05037	1.8
69.03429	1.9
69.61231	1.2
69.61670	1.6
70.06586	2.1
71.01353	0.5
71.04988	0.7
72.04532	1.4
72.08165	2.3
73.02915	0.6
74.06092	0.7
75.05595	0.6
76.95496	0.4
77.94162	1.4
78.84369	0.4
79.05509	1.1
81.07069	0.5
81.56355	0.4
83.06126	0.9
84.04521	1.7
84.08138	0.6
85.02908	1.1
85.04041	0.5
85.07679	1.1
86.06084	1.5
86.09762	0.5
87.04478	0.9
87.56915	0.4
88.03991	0.4
91.05486	6.1
95.04960	0.5
95.06109	0.4
95.95184	1.0
96.04492	0.8
97.02906	1.6
97.07668	1.0
98.01898	0.7
98.06046	0.6
98.97580	0.8
99.05589	0.7
100.04000	1.2
100.07616	0.8
100.97195	0.5
101.00912	0.4
101.07155	1.9
102.05540	1.6
103.05441	0.7
104.05017	1.0
105.03383	0.6
105.07037	5.4
107.06080	0.6
113.02354	0.7
113.07137	0.7
114.05537	2.2
114.09142	0.9
114.78645	0.5
115.03989	0.5
115.05461	5.6
116.05052	0.6
116.05816	1.6
116.98637	1.5
117.05771	15.9
117.07056	0.6
118.06544	100.0
118.96764	9.7
119.01909	4.2
119.06895	3.5
119.08600	1.1
121.06429	0.7
125.07137	0.5
130.06523	16.4
130.07491	1.0
131.07356	9.0
132.04428	2.8
132.08093	40.2
133.02843	0.4
133.06462	1.7
133.07625	0.5
133.08446	5.0
133.10106	1.1
134.07140	0.9
134.99699	2.5
136.00021	0.6
136.04585	0.6
137.00169	0.6
137.02956	2.5
141.98315	0.7
142.02251	0.5
142.03494	1.2
142.06529	1.2
142.08687	1.0
142.13464	0.4
143.06873	2.3
143.08235	1.6
145.06355	0.3
145.09872	0.5
149.54065	0.4
150.95714	1.5
153.00685	0.7
154.96475	3.9
159.06689	0.7
159.56052	0.4
160.04539	1.2
160.06224	1.2
160.07574	20.3
160.09581	4.2
160.10794	0.6
160.12007	1.5
161.04536	0.5
161.05948	1.2
161.07030	0.9
161.08105	1.1
161.09567	2.1
161.54480	0.5
163.66620	0.4
172.97510	1.5
177.97964	0.6
178.05516	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
71.34402	0.8
73.94200	0.4
82.99825	0.6
92.60390	0.5
100.02482	0.9
101.00883	13.5
118.03517	5.6
118.96774	0.5
119.01920	100.0
120.02041	1.4
121.01625	0.7
121.02379	0.6
124.02468	0.8
136.02757	1.4
136.04544	4.9
137.02959	46.0
138.03038	0.7
142.03497	21.4
143.03639	1.3
159.82957	0.4
160.04559	20.7
161.02950	1.3
161.04692	1.3
178.05606	7.7
179.04031	2.9
179.05557	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42173	0.1
55.05505	0.2
56.05034	0.2
56.96576	0.6
59.06109	0.5
59.93098	0.5
60.04519	0.1
64.03690	0.1
65.03933	0.8
68.05011	0.1
69.00881	0.1
69.03406	0.1
69.80734	0.4
69.81148	0.3
70.06571	0.2
74.06046	0.1
76.93363	0.1
78.03453	0.1
78.93100	0.3
81.03359	0.1
84.04462	0.2
86.06057	0.2
87.04446	0.4
90.03432	0.5
91.01272	0.2
91.02975	0.1
91.05459	0.2
92.04989	3.0
93.07055	0.1
97.02894	0.1
101.07124	0.2
102.05550	0.2
105.04506	3.1
105.05207	0.2
105.07024	0.6
114.09101	0.2
115.05428	0.3
116.98634	0.1
117.05753	0.5
117.07013	0.1
118.04211	0.1
118.05234	0.2
118.06527	2.4
118.96735	1.4
119.01874	0.1
119.06032	0.1
119.95776	0.2
120.05552	0.2
124.07597	0.1
125.42378	0.1
130.06490	0.3
131.07269	0.3
132.05565	14.8
132.08067	1.2
132.57269	0.1
133.05846	0.3
133.07420	0.1
133.10094	0.2
134.07117	0.1
135.05525	2.1
136.96999	0.1
137.96881	0.2
142.08612	0.3
150.95831	0.1
154.59050	0.2
154.96429	0.4
160.05051	100.0
161.05440	2.9
161.08246	0.1
161.09607	0.3
172.97525	0.1
174.03851	0.1
175.09459	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	159.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.05496	0.8
55.08004	0.5
56.96552	1.6
59.93092	1.3
63.02370	0.6
67.05497	4.1
70.04453	2.6
73.95700	0.7
76.93371	3.9
79.05491	4.5
81.07060	3.4
91.05481	24.6
92.05814	1.1
93.07037	1.7
94.94410	1.6
95.04959	0.5
98.97591	0.8
103.05456	2.4
105.07027	16.8
113.02338	1.0
115.05441	10.2
116.06259	4.9
116.98599	1.4
117.07016	38.2
117.95985	2.7
118.06535	1.8
118.07298	1.0
118.96758	2.7
119.08591	4.3
128.06212	1.9
129.07005	21.3
130.07790	20.8
131.08566	68.0
132.08055	1.4
132.08910	3.0
134.99641	1.6
135.97006	3.5
141.01820	3.0
141.06985	1.4
142.07739	2.1
143.08591	1.3
144.05704	6.7
144.09344	12.3
145.09734	0.8
153.96664	0.5
157.10109	3.4
159.08095	9.3
159.11690	100.0
160.07469	1.2
160.12035	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	159.1168
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
51.02348	0.5
56.41106	0.5
56.96553	1.2
59.93097	1.8
62.62725	0.5
64.02091	0.5
65.03949	0.5
65.36703	0.5
67.05518	2.8
68.24602	0.5
70.01015	1.1
70.01425	1.5
70.06576	0.9
74.06073	0.5
75.93582	0.6
76.92883	1.6
76.93358	15.9
79.05466	2.0
80.47557	0.5
81.07040	1.9
87.04479	0.6
91.05475	15.3
94.94395	5.1
98.97562	1.0
103.05453	1.0
105.07023	22.1
112.95430	1.5
113.02351	1.0
114.05508	1.1
115.05438	3.8
116.06293	3.3
116.98617	0.7
117.07011	24.8
117.95222	0.9
117.95974	11.7
118.06527	1.4
118.96764	2.8
119.08585	9.5
128.06221	0.9
129.06999	15.1
130.07794	7.4
131.08562	47.1
131.11786	1.2
132.08025	0.8
132.08885	1.5
134.99673	0.8
135.97000	11.5
137.03455	0.6
141.01810	2.4
141.06990	1.5
142.07750	1.3
143.08485	1.2
144.05655	1.8
144.09337	24.5
145.09682	0.9
154.96451	0.7
157.10112	4.5
158.97493	1.1
158.98689	2.6
159.08075	16.6
159.11678	100.0
160.08575	0.8
160.12013	4.6
177.09340	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1167
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03960	0.3
55.05515	0.9
56.96566	1.2
57.03411	0.5
59.93112	1.0
65.03940	0.4
67.05503	3.4
76.92907	0.5
76.93359	11.1
77.93371	0.4
77.94147	0.5
79.05493	3.6
81.07056	3.6
83.58996	0.3
91.05471	18.7
92.05801	0.4
93.07013	1.7
94.94389	2.5
96.50065	0.3
98.20795	1.1
103.05457	0.9
104.06261	0.4
105.07018	13.1
106.07343	0.6
112.95425	0.5
113.02381	0.4
115.05438	7.2
116.06237	3.7
116.98600	0.7
117.07004	32.6
117.95969	7.8
118.06577	0.6
118.07336	1.0
118.96764	2.6
119.08569	4.4
123.00010	0.5
128.06204	1.9
129.06995	14.5
130.07785	16.6
131.08556	56.6
131.23747	0.3
132.08041	0.6
132.08894	2.1
134.99635	1.0
135.97003	6.6
136.00008	0.4
141.01761	0.9
141.07024	0.3
142.07733	1.0
143.08545	1.0
144.05699	1.4
144.09329	11.0
145.09671	0.6
153.96620	0.5
157.10103	1.9
158.97618	2.9
158.98627	0.7
159.08136	4.5
159.11673	100.0
160.12013	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	159.0805
Annotation	(2-Naphthyl)methanol
Peak:m/z	Relative Intensity
53.22238	0.4
54.13112	0.4
56.96560	5.7
59.93108	0.8
65.03946	1.4
67.05500	1.4
68.00574	0.4
69.57495	0.4
70.06600	2.1
70.27977	0.4
70.90112	0.6
70.90459	1.0
71.05004	0.6
71.06117	0.4
71.95271	0.7
72.04516	0.7
72.32412	0.4
73.95678	0.9
75.93616	0.8
76.93365	5.9
79.05492	1.1
81.07062	1.0
86.06066	0.5
87.30685	0.4
91.05481	32.4
91.96741	0.5
92.05811	0.5
93.07038	0.5
94.04184	1.2
94.94392	2.8
98.97572	4.8
100.07596	0.5
103.05480	2.3
105.07011	3.1
107.04954	5.5
112.95419	0.8
113.02321	0.8
114.05521	0.7
114.98271	0.5
115.00446	0.4
115.05452	19.6
116.06260	11.8
116.98622	7.1
117.07030	9.1
117.95997	3.8
117.96837	0.8
118.06547	3.0
118.96776	2.3
119.08605	0.5
128.06226	0.9
129.07011	10.7
130.06549	0.5
130.07790	0.9
131.04933	15.6
131.08566	76.7
132.04459	1.3
132.08051	1.3
132.08914	2.9
132.99330	0.5
133.06508	0.6
134.99673	9.9
135.00772	1.2
135.97026	3.7
141.01833	3.1
141.06989	39.7
142.07401	1.4
144.05704	74.1
145.06036	2.1
150.95813	0.4
153.00755	2.5
153.96672	2.9
154.01163	0.4
154.96367	0.8
157.06531	1.1
158.01332	0.8
158.07227	0.8
158.98578	0.6
159.08052	100.0
159.10141	2.5
159.11638	10.0
160.08522	3.3
169.07596	16.4
170.07803	0.6
171.05544	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0916
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
55.05508	0.5
56.05029	3.1
56.96562	6.7
57.03447	0.7
57.93570	0.9
58.02958	0.6
58.06597	0.9
59.06125	1.8
59.93107	3.4
60.04521	0.7
66.46482	0.5
68.05035	0.6
69.03439	0.5
69.26983	1.5
69.27413	3.2
70.06609	0.6
71.06105	0.6
71.95257	1.0
72.04522	1.2
72.08165	0.5
72.93813	0.7
73.95676	0.9
75.93600	0.6
76.93362	4.7
77.94157	1.0
79.05508	0.4
83.06097	0.9
84.04518	1.4
85.02872	0.5
85.07679	0.4
86.74853	0.4
87.04448	0.7
91.05499	1.1
93.05795	0.6
94.94426	1.5
95.06110	1.1
95.95193	1.2
98.83265	0.4
98.97578	13.2
99.05598	0.5
99.97924	0.8
100.03948	0.7
100.95703	0.5
102.05533	0.5
103.05470	0.7
105.07035	2.0
112.95446	0.5
113.07128	1.3
114.05525	0.8
114.98318	0.5
115.05453	32.1
116.04971	1.2
116.05801	1.2
116.97241	1.1
116.98616	16.8
117.05755	16.9
117.95991	3.9
117.97636	0.8
117.98943	1.0
118.06557	5.6
118.96752	11.1
119.01889	2.0
130.06522	26.5
131.04916	0.8
131.06845	4.5
131.08557	1.9
131.11807	0.4
132.08084	100.0
133.08409	2.5
133.99043	1.0
134.99652	17.7
135.95541	0.4
135.97017	3.1
136.00008	0.9
136.95383	0.4
137.02965	1.2
140.00281	0.5
140.04918	1.0
141.01801	0.9
141.06570	0.8
142.06512	47.5
143.07126	1.2
144.09283	0.5
150.95705	0.8
153.00719	3.0
153.96611	2.9
154.96446	3.5
158.08374	1.8
159.09166	83.5
159.11777	2.1
160.06216	1.0
160.07567	18.3
160.09532	2.7
166.75943	0.4
172.97523	0.5
177.98120	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0917
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
52.01904	0.6
55.05486	0.6
56.05045	2.3
56.96566	3.9
59.06123	1.2
59.93118	0.8
59.97584	0.6
68.05022	0.6
70.06588	3.8
70.27393	1.1
70.27741	2.0
72.04526	0.8
79.05484	1.4
80.40271	0.6
83.06116	0.6
84.04509	0.8
84.08144	1.5
85.02924	0.6
86.09674	0.7
91.05507	3.0
92.06261	0.7
95.06055	0.9
96.04530	0.8
96.09187	0.7
98.97585	7.4
103.05476	1.1
104.04979	1.3
105.07029	27.2
113.02381	1.9
113.07133	1.7
114.05505	1.5
115.05453	31.9
116.05793	1.1
116.98621	8.0
117.05760	32.4
118.06560	16.9
118.96786	1.6
119.01966	1.4
119.07323	90.7
120.07657	2.1
130.06534	4.8
131.04942	1.4
131.07297	1.4
131.08592	1.0
132.08089	100.0
133.08447	3.2
134.99678	6.0
137.02954	0.9
141.01837	3.8
141.06581	0.6
142.06519	10.5
143.07275	0.9
153.00739	1.3
154.96503	0.7
159.09172	77.8
160.06322	0.7
160.07518	3.4
160.09540	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	159.1168
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03939	0.6
54.47219	0.6
55.05512	1.2
56.96556	3.2
57.03440	0.6
57.07072	0.7
59.93113	1.4
65.03944	0.7
67.05496	6.7
70.06613	0.6
70.47073	1.7
76.92896	1.3
76.93360	18.5
77.93395	1.1
79.05487	7.2
81.07053	5.7
86.06065	0.8
87.04462	0.8
91.05470	25.6
92.05818	0.9
93.07051	3.3
94.94403	5.6
95.04942	1.0
98.97568	0.8
103.05477	1.4
105.07023	18.6
106.07339	0.9
109.04198	0.7
112.95453	1.4
114.05540	1.0
115.05446	5.4
116.06253	2.9
116.98643	1.3
117.07013	58.7
117.95975	13.4
118.06541	1.3
118.07274	1.2
118.96753	3.2
119.08582	5.4
120.66824	0.6
128.06201	1.1
129.06996	11.9
130.07785	10.5
131.08559	77.0
132.08884	3.1
134.99663	1.4
135.97008	13.2
136.97028	0.7
139.18040	0.7
141.01802	1.9
141.06999	0.7
141.98392	0.6
142.07703	0.7
143.08406	0.7
144.05695	1.6
144.09334	11.0
145.09706	1.0
153.98024	0.6
154.96414	0.8
157.10159	3.6
158.97475	2.8
158.98662	1.8
159.08086	6.3
159.11681	100.0
160.07472	0.9
160.12009	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	159.0805
Annotation	(2-Naphthyl)methanol
Peak:m/z	Relative Intensity
53.17599	0.5
53.21537	0.5
56.96576	3.4
59.06113	0.5
59.93091	0.7
65.03938	1.9
68.26198	0.5
69.24335	2.8
69.24763	3.5
70.06592	1.4
71.64751	0.5
76.93370	1.1
79.04308	0.6
91.05482	27.7
94.04207	1.4
94.94421	0.8
98.97593	5.3
103.05480	2.3
105.07018	1.5
107.04947	4.9
113.02350	0.9
113.07136	0.7
115.05454	21.4
116.06252	12.5
116.06980	0.3
116.98631	5.2
117.05782	0.7
117.07037	3.1
117.95986	1.5
118.06535	2.0
119.08575	0.6
128.06177	0.6
129.07022	8.5
130.06529	1.2
131.04932	14.1
131.08569	73.7
132.08078	5.7
132.08920	2.2
134.99657	4.8
141.01820	1.1
141.06985	38.6
142.06444	0.7
142.07404	1.2
144.05704	78.0
145.06046	2.2
153.00702	1.0
153.96674	0.8
157.06525	0.7
159.08052	100.0
159.11720	1.8
160.08533	4.1
169.07605	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0804
Annotation	(2-Naphthyl)methanol
Peak:m/z	Relative Intensity
53.03947	0.8
55.01861	1.0
55.05513	0.8
56.05030	1.7
56.96566	17.7
57.03437	1.2
58.06595	0.9
59.06113	2.2
59.93092	1.1
60.04507	1.5
61.01138	2.3
62.70813	0.6
64.29108	0.7
65.03922	1.4
67.05490	0.8
68.05025	1.1
69.03410	0.9
70.06596	7.9
70.23569	2.6
71.04973	0.8
71.06121	0.6
71.95263	2.1
72.04523	1.6
72.08149	2.4
73.08463	0.9
73.95680	2.0
76.93376	5.4
77.94149	0.7
79.05460	0.8
80.50793	0.6
81.03416	0.9
81.07075	0.9
82.02939	0.6
84.04483	1.9
84.08146	1.1
85.02889	1.4
86.06064	1.0
86.09705	1.1
91.05479	32.1
91.96749	0.7
91.99014	0.6
94.04176	0.9
94.94408	1.9
95.04909	0.8
95.06098	0.9
95.70135	0.6
96.04485	1.4
97.06510	1.4
98.97582	19.7
99.04459	0.9
99.05547	1.2
100.03967	1.1
102.09164	0.8
103.05474	5.5
105.07031	2.9
107.04950	3.7
112.95477	0.9
113.02377	4.1
113.06037	0.7
113.07127	3.2
114.05525	3.0
114.09201	0.8
114.98320	0.9
115.05457	23.9
116.06266	11.6
116.11438	0.8
116.98619	29.5
117.01854	1.4
117.05814	4.3
117.07078	4.6
117.95994	3.7
117.99001	0.8
118.06545	14.8
118.96766	5.2
119.08557	1.3
128.06258	1.1
129.07014	11.8
130.06544	1.8
130.07645	0.6
131.04942	17.9
131.08563	78.2
132.04440	2.4
132.08078	12.3
132.08937	1.5
133.06493	0.9
134.99663	41.7
135.00766	2.3
135.96037	0.7
135.96964	3.5
136.00005	1.6
141.01819	10.4
141.06984	37.9
142.06427	1.5
142.07460	1.2
142.08699	1.0
144.05702	80.3
145.06116	2.8
150.95740	1.2
153.00699	11.3
153.01871	0.9
153.96733	2.6
154.01112	0.7
154.96533	0.9
157.06450	2.0
158.01291	3.1
158.07280	1.3
159.04379	1.9
159.08054	100.0
159.09026	3.8
159.11595	7.0
160.07370	7.6
169.07608	17.8
177.00560	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0806
Annotation	(2-Naphthyl)methanol
Peak:m/z	Relative Intensity
53.03938	1.3
55.01865	1.5
55.57763	0.9
56.05021	1.1
56.96296	1.2
56.96566	21.1
57.03428	1.4
58.06602	1.1
58.93338	1.5
59.06113	0.9
59.93095	3.5
61.02901	0.9
67.05490	4.0
68.26279	1.0
69.84001	1.0
70.06583	9.6
70.95079	1.7
71.95248	2.1
72.08158	1.6
72.93752	1.1
73.95679	2.9
75.93604	1.8
76.93365	16.0
79.05474	3.0
81.07051	3.8
84.08134	1.7
84.96006	1.1
85.02885	2.2
86.06042	2.2
91.05478	36.7
91.96734	1.6
93.07038	1.6
94.94420	7.7
98.97575	12.0
100.03989	1.3
102.39996	1.0
103.05455	6.5
105.07038	8.6
107.04955	1.7
112.95426	1.1
113.02373	6.1
113.07124	3.0
113.07886	1.2
114.05525	3.2
115.05451	17.5
116.06258	10.6
116.98627	23.0
116.99828	1.1
117.01865	1.8
117.05746	3.8
117.07028	24.6
117.95984	12.2
117.98992	1.0
118.06554	13.7
118.96776	6.7
119.08591	2.8
128.06166	1.2
129.06992	11.6
130.06526	4.3
131.04932	20.8
131.08566	100.0
132.04500	1.8
132.08078	9.6
132.08928	1.9
132.99353	1.9
134.97404	1.3
134.99661	39.1
135.00775	2.8
135.95605	1.1
135.95885	1.2
135.97021	13.5
136.00027	1.5
141.01839	15.5
141.06990	26.0
144.05710	44.9
144.09337	7.4
145.86060	1.0
153.00699	10.0
153.96713	11.0
154.96484	2.7
157.10112	2.1
158.01250	3.1
158.97604	4.1
159.03021	1.3
159.04459	4.9
159.06953	3.2
159.08058	82.3
159.08992	3.0
159.10100	4.4
159.11685	35.3
159.13033	1.4
159.15724	1.1
160.07565	4.6
160.11992	1.5
169.07623	12.9
171.97781	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	159.0763
Annotation	4-Methylene-L-glutamine
Peak:m/z	Relative Intensity
53.03961	0.2
55.01874	0.6
55.05513	0.6
55.37550	0.2
56.05028	1.2
56.05835	0.2
56.96562	1.0
57.03432	0.7
57.04554	0.2
57.25466	0.2
57.75204	0.2
58.06590	0.3
59.05005	0.3
60.04509	0.3
67.05504	0.3
68.05033	1.9
69.03428	1.6
69.07062	0.2
69.83492	0.2
70.02974	0.5
70.03331	0.7
70.03744	0.4
70.06593	100.0
71.01361	0.5
71.04995	1.1
71.06306	0.2
71.06924	3.7
72.04520	0.7
72.08161	1.4
73.02914	0.8
73.08485	0.4
74.02459	0.2
74.06076	0.5
77.00902	0.4
81.03439	0.4
81.04587	0.2
82.02966	0.2
84.04504	1.6
84.08149	0.5
85.02901	0.7
85.07668	0.5
86.06071	4.3
86.09693	0.3
87.04475	1.1
88.07621	0.5
91.05432	0.3
95.01956	0.3
95.06093	0.5
96.04491	2.3
96.08132	0.7
97.02868	0.9
97.07646	0.6
98.06055	0.8
98.97588	1.6
99.04455	1.9
99.06387	0.4
100.03967	1.2
100.07639	0.9
101.00891	1.2
101.06024	0.3
101.51652	0.2
102.02413	0.3
103.05451	0.3
111.02868	0.3
111.05577	0.5
111.07515	0.3
112.08736	0.4
113.02363	1.3
113.07128	37.3
113.09026	2.3
114.05531	10.7
114.06710	0.3
114.07409	0.9
114.09174	2.6
115.03934	0.3
115.08683	3.1
116.04755	0.9
116.07082	1.8
116.98608	1.7
117.07417	0.6
118.06554	0.5
119.01918	11.0
120.02025	0.9
121.01677	0.3
123.05560	0.4
127.00278	0.4
130.04997	0.4
131.01912	0.9
131.08607	0.3
132.06496	0.2
132.08055	0.3
133.03471	0.4
134.99683	2.2
135.03168	0.3
137.02951	4.8
138.03088	0.3
141.01831	3.3
141.05589	0.2
141.06526	1.0
141.10229	2.8
142.02448	0.3
142.03508	0.5
142.05017	1.3
142.08630	1.5
145.01254	0.2
145.03441	0.3
147.05054	0.3
153.00749	0.2
155.01843	0.3
159.02959	0.4
159.07652	6.9
159.09612	2.8
159.11313	1.6
160.07750	0.3
160.09663	1.8
161.03027	0.3
173.02951	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80219	0.7
52.20059	0.7
55.01872	3.3
55.93518	1.1
56.05025	8.7
56.06274	0.9
56.69388	0.5
56.96560	39.6
57.03418	1.5
57.07056	0.9
57.93560	3.2
58.02956	1.6
58.06579	2.6
58.93336	0.7
59.05851	0.7
59.06120	7.7
59.93103	11.7
60.04514	4.0
60.95844	1.2
61.02914	2.6
64.35116	0.6
67.05489	2.6
68.00271	0.7
68.05016	2.9
69.03414	2.3
69.04536	1.0
70.02960	3.7
70.06587	5.9
70.95846	0.9
70.98112	1.1
71.01342	3.1
71.04986	1.5
71.06111	1.6
71.06915	1.3
71.95261	3.9
72.04507	5.1
72.08131	2.5
72.93771	3.5
73.02902	1.0
73.95665	2.5
74.06060	2.5
74.93808	0.8
74.97612	0.8
75.04469	2.3
75.05590	1.3
75.93620	1.5
75.94579	1.3
76.03989	2.9
76.93362	16.0
77.00805	1.1
77.93398	0.8
77.94139	3.4
81.03402	0.8
82.06542	1.4
83.06096	2.4
84.04504	5.7
84.08144	0.7
84.96037	1.1
85.02898	2.5
85.04010	1.2
85.07652	2.0
86.01278	0.8
86.02425	1.5
86.06057	2.5
86.08458	0.9
87.04480	4.4
87.05584	1.2
88.03960	1.0
88.04765	1.1
88.07610	1.0
88.99167	1.2
89.96398	0.9
90.05521	0.7
90.94804	1.9
91.00487	0.8
91.05470	2.5
91.96706	2.0
94.94402	7.3
95.04955	1.4
95.06087	5.8
95.95186	3.1
96.04479	3.2
96.06880	0.7
97.02893	1.3
97.07635	1.8
98.01292	10.5
98.06026	2.5
98.20818	0.9
98.97575	31.5
99.04436	1.4
99.05563	4.5
99.06274	1.1
99.97917	2.4
100.03979	4.1
100.07610	1.1
100.95710	1.0
101.07135	1.8
102.05534	3.6
103.00452	1.2
103.03942	2.1
103.05444	1.1
105.07011	1.7
107.00214	0.9
107.01813	8.5
107.52016	0.6
109.52074	1.2
109.97721	0.8
111.05551	2.3
112.01013	6.3
112.07658	0.7
112.50600	0.8
112.95422	1.4
113.02370	0.6
113.07116	7.4
113.96362	0.7
114.05523	4.0
114.98303	1.3
115.05013	0.6
116.00231	0.7
116.03430	0.7
116.06207	0.6
116.97226	4.5
116.98605	58.4
117.05846	0.7
117.06615	2.1
117.69724	0.5
117.95975	14.3
117.97533	2.0
117.98946	2.5
118.04997	0.8
118.06521	2.7
118.96754	34.2
119.01888	6.3
119.08566	0.8
119.98320	0.6
120.02029	0.6
121.01530	1.8
123.05532	1.2
124.00962	0.9
124.03889	0.7
124.07584	2.2
125.07079	1.0
126.00734	7.3
128.98537	0.8
129.07001	0.8
129.53598	0.8
130.95615	0.9
131.00056	0.8
131.03369	0.7
131.04912	3.0
131.08606	4.5
131.11769	1.5
131.97441	1.6
132.06540	1.4
132.08073	1.5
132.99284	1.3
133.01514	4.2
133.99016	3.1
134.01268	1.8
134.99648	100.0
135.01132	4.2
135.51479	0.7
135.95862	0.8
135.97002	16.6
135.99089	1.0
135.99969	6.3
136.99203	1.1
137.00124	1.1
137.02959	4.3
137.51567	0.9
140.00111	1.5
141.01804	4.1
141.06522	4.5
141.11078	1.1
141.98325	1.2
142.03540	1.7
142.04999	1.7
142.08623	1.3
144.03575	0.9
144.05681	0.9
144.09320	0.9
146.99603	1.5
147.54684	0.6
148.04736	0.6
148.96259	0.7
148.97456	0.6
149.01201	1.2
149.95969	0.8
150.95732	5.6
152.96988	2.1
153.00702	26.9
153.96666	9.8
153.97876	1.0
154.01085	1.3
154.96439	13.0
154.97589	1.0
158.01215	3.5
158.97473	0.9
158.98619	0.6
158.99754	0.6
159.02928	0.6
159.04372	0.9
159.05669	0.9
159.07678	8.3
159.09972	2.3
159.11621	5.7
160.04570	1.2
160.06125	0.9
160.07568	2.0
160.09630	1.3
165.00716	2.2
171.97809	1.7
172.97592	3.1
176.02296	1.5
176.98346	0.9
177.00690	3.8
177.02011	0.7
177.98059	1.9
178.05717	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05028	1.3
53.03926	1.7
54.03462	1.0
55.01857	4.5
55.05501	1.7
56.05033	13.7
56.96561	59.4
57.03435	8.1
57.04547	1.6
57.05808	1.3
57.07061	1.9
57.93546	1.7
58.02958	2.0
58.06601	8.8
59.01377	1.4
59.05005	1.6
59.06125	6.3
59.93095	3.3
60.04528	8.7
61.01114	1.5
61.02922	14.9
64.06581	3.3
67.01861	2.0
67.05507	1.8
68.05039	5.7
68.99788	10.5
69.03436	7.5
69.58044	8.6
70.02947	1.9
70.06591	52.8
71.01353	46.7
71.04977	4.9
71.06110	5.1
71.06908	2.9
71.07354	1.9
71.95246	4.6
72.04517	5.7
72.07750	1.4
72.08153	25.9
73.02911	6.6
73.08472	1.7
73.95664	2.0
74.06078	3.7
74.97599	2.4
75.04478	12.6
75.94547	1.3
76.03992	4.0
76.93349	2.1
77.00847	1.3
77.57115	2.3
77.94157	1.6
78.08144	2.3
81.03402	2.6
82.06607	1.8
83.00749	1.7
83.06091	2.7
84.04501	11.2
84.08139	38.6
84.96024	3.4
84.99251	1.6
85.02917	11.3
85.04028	1.3
85.07666	2.8
85.08454	3.7
85.08929	1.7
86.06065	6.8
86.09702	7.4
87.04456	1.2
87.05577	5.1
88.07624	1.5
88.08773	1.2
88.99174	1.2
89.02341	1.0
89.10804	1.1
91.00450	1.4
91.05483	6.1
91.56830	3.2
92.01289	3.3
92.57664	1.7
93.02061	1.3
94.06574	1.4
95.01936	1.4
95.04976	2.4
95.06055	3.5
96.04465	6.9
96.08112	2.6
97.02882	3.0
97.07607	1.6
98.06044	3.2
98.09690	7.2
98.97578	43.6
99.00807	5.7
99.04478	6.5
99.05565	7.5
99.06317	1.8
99.09222	3.0
99.97890	1.6
100.03962	6.0
100.07605	3.4
101.00877	1.9
101.02387	1.9
101.05973	3.6
102.05515	3.6
102.97062	1.4
103.03946	8.6
103.05472	3.0
104.06997	1.1
105.00249	1.4
105.07008	2.6
110.01286	1.6
110.26199	1.3
111.05580	1.9
112.08723	1.3
112.11241	14.8
112.59159	1.7
113.01180	1.8
113.02362	12.6
113.07142	20.7
113.09052	2.0
113.10755	1.4
113.11527	1.4
114.05524	11.4
114.09172	5.2
115.05425	4.6
115.08685	2.5
116.07048	2.6
116.97264	2.0
116.98611	67.5
117.01851	37.4
117.05753	2.0
117.06615	1.8
117.95917	1.6
118.02190	1.5
118.06509	3.9
118.96761	12.0
119.01903	21.7
120.02023	1.5
121.01648	1.3
124.03940	1.4
126.00739	3.9
127.00254	16.3
127.01490	3.1
128.02301	6.4
128.58678	13.3
128.98607	2.3
129.07001	2.0
129.08853	1.7
129.10229	2.6
130.06482	2.7
130.08627	3.1
131.01913	9.9
131.03409	4.3
131.04852	6.1
131.06891	1.8
131.08531	5.5
131.11827	1.6
132.04454	3.1
132.08086	5.6
134.99654	94.4
135.03127	2.9
135.97038	2.9
135.99982	3.2
137.00113	1.3
137.02957	10.8
137.59143	1.4
139.48708	1.3
140.00191	2.8
141.01825	35.6
141.06650	4.7
141.10219	4.9
142.02376	2.8
142.03465	1.4
142.04977	3.2
142.06537	3.8
142.08597	3.2
142.12271	3.5
144.05716	4.5
144.08054	1.9
144.09325	2.0
145.01314	100.0
146.01649	1.9
146.99643	4.8
149.01231	1.7
149.02936	7.8
149.61003	3.3
153.00710	26.3
153.96667	5.5
154.01053	1.5
154.96468	4.2
158.01237	5.6
158.15399	1.4
158.61577	6.3
158.99649	3.3
159.01692	2.1
159.02924	20.3
159.07750	9.5
159.09129	1.8
159.09935	4.0
159.11537	8.1
159.15752	4.3
160.06122	2.7
160.07556	2.5
161.01259	1.2
165.00732	2.3
172.95197	2.1
172.97565	2.1
177.00694	5.9
177.02301	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	158.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05043	1.2
56.56082	0.5
57.03438	0.8
60.04552	0.4
60.05656	1.3
61.66561	0.4
68.05029	2.2
69.03416	0.6
69.04527	0.5
70.06590	100.0
71.04994	6.7
71.06114	1.3
71.06924	2.9
71.57301	0.8
72.04504	0.8
72.08160	1.2
81.03445	0.7
84.04525	0.9
84.08145	2.6
85.07666	2.4
86.06089	1.2
87.04451	1.2
88.08760	1.0
94.06550	0.5
95.06099	3.2
96.04485	0.7
97.07663	1.2
98.06044	2.5
99.01943	1.3
99.04485	2.3
100.04002	0.7
110.07155	1.7
112.07639	2.3
112.08727	72.0
113.02375	1.3
113.07121	5.8
113.09081	1.4
114.05536	1.6
115.08687	2.6
116.07089	17.3
127.00294	1.0
128.07137	0.5
140.07066	0.8
141.01831	4.1
141.06618	4.7
158.09245	77.4
158.12717	2.2
159.07642	2.4
159.09663	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55891	0.2
52.25663	0.1
53.03950	0.4
55.01870	1.3
55.05509	0.9
56.05024	0.4
56.96559	21.8
57.03433	2.6
57.07079	0.2
57.93546	0.2
58.02946	0.2
58.03771	0.3
58.06594	1.0
58.99858	1.9
59.04985	0.2
59.93107	0.6
60.02132	0.2
60.04509	0.7
60.95841	0.3
60.99610	0.3
61.02923	1.3
65.00754	0.2
67.05492	0.4
68.05027	1.4
69.03424	3.2
69.07055	0.8
70.06583	4.3
70.06947	0.3
70.07377	0.3
70.98114	0.8
70.99856	0.4
71.01337	0.7
71.04980	1.9
71.06915	1.0
71.58953	0.2
71.95264	1.1
72.04510	0.8
72.08147	0.6
72.93763	0.2
73.02912	2.9
73.04846	0.2
73.06545	0.5
73.95680	0.5
74.02428	0.2
74.06078	0.3
74.97604	1.0
75.01039	0.3
75.04464	0.4
75.93568	0.2
76.93368	0.9
77.00900	4.9
77.94141	0.3
78.00974	0.5
79.00651	0.6
79.19441	0.2
79.79609	0.1
80.05021	0.4
81.01029	0.2
81.03409	1.9
81.07047	0.2
82.03759	0.3
82.06558	0.2
82.07401	0.2
82.99834	0.7
83.00791	0.9
83.01246	0.2
83.04960	0.3
84.01571	0.5
84.04493	0.7
84.08141	1.8
84.96019	1.7
85.02899	3.1
85.06535	0.2
85.08469	0.3
86.01286	0.3
86.03253	0.2
86.06049	1.4
86.09689	1.5
86.99332	0.3
87.04478	0.8
88.02662	0.7
88.07615	0.4
88.99147	0.9
89.00848	1.1
90.01540	1.2
90.05555	0.4
90.51729	0.2
90.94807	0.2
91.00497	0.2
91.02386	0.4
92.01279	0.7
92.98610	0.2
93.01875	0.3
94.02666	0.3
94.94381	0.2
95.00742	0.2
95.01944	2.6
95.95174	0.2
96.01530	0.7
96.04482	0.7
96.08103	0.9
97.00504	0.3
97.01717	0.2
97.02283	0.4
97.02856	2.6
97.06525	0.4
97.96823	0.2
97.99105	0.2
98.01275	0.9
98.06054	0.6
98.06877	0.3
98.09621	0.2
98.97574	15.4
99.02055	0.6
99.04449	2.5
99.08110	0.2
99.97874	0.3
100.02540	0.7
100.04761	0.2
100.07602	0.7
101.00858	8.2
101.02451	0.4
101.99829	0.3
102.00935	0.3
102.01595	0.2
102.02398	0.9
102.05544	0.2
102.09225	0.2
102.97061	0.4
103.00608	0.5
103.02418	0.5
103.03154	0.2
104.01324	0.7
105.00352	0.4
105.02056	1.1
106.00998	0.3
107.00164	0.5
107.01852	0.5
107.03387	0.2
107.60774	0.1
109.02913	0.4
109.53257	0.2
110.01262	1.6
110.01993	0.2
110.03075	0.2
110.97561	0.6
111.02116	0.4
111.02915	1.1
112.99102	0.3
113.00877	0.3
113.05976	0.3
113.07121	0.9
113.07871	0.4
113.09047	0.6
114.05514	1.0
114.09149	3.4
115.02407	0.9
115.03158	0.3
115.03894	0.2
115.08788	0.2
115.09505	1.9
115.97839	0.3
116.04708	0.8
116.06197	0.2
116.07043	0.3
116.52776	0.3
116.98607	19.0
117.01984	0.6
117.03912	0.5
117.95985	0.9
117.97581	0.4
117.98942	0.7
118.01078	0.5
118.03507	1.2
118.06477	0.2
118.96741	2.4
119.01902	100.0
119.51950	0.5
120.00095	0.2
120.00864	0.7
120.02006	4.7
120.03240	0.3
120.98074	0.2
121.01654	2.0
121.02353	0.3
121.03460	0.2
121.51999	0.2
122.02400	0.2
123.03107	0.2
123.09112	0.2
124.02551	0.2
125.02666	0.2
126.02573	0.2
127.00257	0.4
127.02377	0.3
127.03897	0.8
128.02299	5.4
128.52478	0.5
128.98586	1.6
129.03964	0.6
129.10231	0.4
130.03687	0.3
130.08513	0.2
130.52594	0.3
131.00272	1.0
131.01895	4.2
131.03603	0.3
131.08524	0.3
131.11739	0.3
131.12642	0.4
133.01724	0.4
133.03453	2.2
133.05174	0.2
133.98961	0.3
134.99646	22.1
135.01350	1.2
135.03127	1.5
135.05046	0.5
135.97014	0.6
135.99992	1.0
136.04523	0.7
137.02939	56.4
137.04703	1.7
138.01945	0.3
138.03020	2.4
139.02620	0.6
139.04276	0.2
139.53056	0.4
140.00201	0.5
140.98552	0.2
141.01816	0.5
141.04012	0.2
141.11084	0.3
142.03476	5.1
142.05037	0.3
142.08601	0.5
143.00142	0.4
143.01862	1.8
144.00809	1.2
144.99783	0.7
145.01657	0.4
145.03423	2.4
146.99623	2.8
147.01376	0.3
147.03195	0.6
147.04996	0.9
148.03867	0.3
148.05173	0.2
149.01180	1.3
149.02972	1.6
149.04753	0.4
149.06593	0.6
149.94588	0.3
151.02737	0.5
151.04475	0.9
151.06291	0.2
153.00691	4.2
153.02415	1.0
153.04175	0.3
153.96698	0.8
154.00986	0.2
154.59033	0.5
154.96454	1.0
155.01869	1.2
157.03377	0.8
158.01234	0.7
158.15390	0.2
158.99669	1.2
159.01366	0.6
159.03143	0.9
159.05000	0.9
159.08083	0.2
159.09581	0.7
159.11378	1.1
159.15733	0.7
160.04555	3.7
160.05939	0.3
160.09639	0.4
160.10860	0.3
161.01212	0.7
161.02936	3.2
162.01848	2.0
162.99118	0.7
163.00809	0.2
163.02774	0.3
163.04517	0.7
165.00652	0.6
167.02148	0.3
171.04890	0.2
173.01456	0.3
173.02939	2.0
173.06587	0.2
174.98943	0.2
175.04518	1.1
176.04613	0.4
177.00677	2.6
177.02419	2.1
177.04240	0.9
177.05820	0.3
178.05617	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.6
56.05031	0.5
56.96560	0.7
58.06599	1.6
58.65775	0.4
60.04509	0.4
60.05664	0.4
68.05026	1.8
69.63279	3.1
70.06592	100.0
71.04996	6.2
71.06120	1.5
71.06927	2.7
72.04531	0.5
72.08159	1.7
80.30193	0.5
81.03422	0.6
82.47839	0.4
83.06087	0.8
84.04482	0.4
84.08141	1.5
85.06558	0.5
85.07666	3.6
86.06048	1.2
87.04491	0.5
88.07585	0.7
88.08746	1.0
95.06101	3.8
96.04522	0.8
97.07641	1.3
98.03573	0.5
98.06042	3.7
98.09689	1.9
98.21429	0.8
98.97577	1.3
99.01941	1.1
99.04460	2.3
100.07643	1.0
101.00878	1.3
110.07161	2.4
111.07473	0.5
112.08727	75.5
112.54892	0.4
113.07117	7.1
113.09064	1.3
114.05514	1.8
114.09167	0.9
115.08683	3.3
116.07088	13.7
116.98621	1.2
119.01924	8.3
120.01971	0.4
121.01620	0.6
131.01912	0.8
134.99651	0.9
137.02977	3.0
140.08124	0.5
141.01801	0.9
141.06581	4.6
141.10187	1.2
158.09241	70.3
158.12743	2.7
158.15359	1.9
159.07626	2.7
159.09590	2.1
159.11276	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0812
Annotation	2-Hydroxyethylclavam
Peak:m/z	Relative Intensity
51.83050	0.9
53.03921	1.0
54.03449	1.4
55.01876	5.1
55.05507	6.0
56.05027	6.7
56.96561	19.8
57.03430	1.0
57.04538	1.0
57.93563	8.8
58.06578	1.2
59.06121	4.8
60.04512	2.6
67.05489	2.1
68.05009	3.1
69.03423	33.8
69.04527	0.9
69.07081	5.3
70.06589	25.3
71.04987	2.5
71.06032	1.8
71.06385	1.3
71.95243	2.6
72.04150	1.2
72.04518	18.7
72.08154	24.8
74.06078	1.3
75.05590	2.2
75.94599	2.7
76.93363	1.9
79.05485	1.1
80.38524	0.9
81.03384	1.4
81.20740	1.1
82.06567	2.4
83.06089	5.5
84.04507	9.2
84.08138	17.2
86.06064	28.1
87.04464	99.9
88.04808	1.3
93.95629	3.1
94.06558	26.9
95.04954	2.2
95.06073	2.0
95.07359	5.1
96.04492	21.2
96.08131	6.5
97.07639	1.7
98.06050	96.7
98.97578	60.8
99.05567	3.9
99.06319	1.4
100.07630	1.7
102.09167	1.8
105.07034	3.4
110.05995	1.2
110.07150	2.0
110.47858	0.9
111.07981	1.0
112.02162	1.0
112.07603	62.1
112.55758	5.7
113.05899	1.0
113.07125	2.9
113.07923	2.4
114.05520	25.4
114.06278	2.0
115.05450	3.9
116.07066	2.0
116.97257	31.7
116.98605	74.9
117.05747	4.9
117.06571	1.8
117.98991	1.1
118.03458	1.4
118.06532	1.6
119.01877	1.8
119.07314	12.9
122.06024	8.4
123.04409	1.5
128.07095	1.9
130.06531	3.2
131.04845	1.2
131.99522	3.3
132.08084	15.2
134.02945	1.5
134.95821	1.7
134.99652	67.4
135.97029	1.2
137.02940	1.3
138.05467	1.6
140.07059	100.0
140.10687	23.9
141.06517	2.0
141.07433	3.0
142.06502	2.8
148.96143	2.2
152.96892	11.5
153.00687	12.3
153.96692	1.7
158.01297	2.4
158.02676	1.2
158.08116	42.0
158.09573	16.5
158.11729	17.9
158.12981	1.7
158.15413	3.9
159.09160	12.6
170.97987	3.4
175.98367	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.1013
Annotation	1,8-Dimethylnaphthalene
Peak:m/z	Relative Intensity
51.02405	0.2
53.03938	0.3
55.01857	0.2
55.05504	0.4
56.96568	0.8
57.93573	0.5
62.01586	0.1
63.02392	0.1
65.03951	0.5
67.05509	0.2
69.03434	0.1
69.07069	0.5
70.06591	0.2
71.59171	0.1
72.93792	0.2
74.93185	0.2
74.93830	3.4
75.93613	0.3
77.03927	0.2
79.05496	4.4
80.94871	0.1
83.04980	0.2
86.06050	0.3
91.05481	30.3
92.05795	0.7
92.22346	0.1
92.94875	1.0
93.07026	0.2
93.94656	0.1
95.04960	0.7
97.06541	0.2
98.97590	0.7
102.09201	0.2
103.05479	0.4
105.04499	0.1
105.07020	0.3
110.07186	0.1
110.95920	0.2
112.07658	0.2
115.05454	17.2
115.96438	2.4
116.06249	5.8
116.07088	0.1
116.08988	0.1
116.96307	0.2
116.97214	1.0
116.98586	1.0
117.07052	1.6
127.05415	0.2
128.06227	13.7
129.07004	100.0
130.06496	0.4
130.07335	4.1
132.95734	0.1
133.97481	2.4
134.97241	0.3
134.99652	1.7
141.06992	3.9
142.07777	25.7
143.05441	0.1
143.08112	0.9
145.06490	1.1
148.96124	0.1
150.96898	0.2
151.97057	0.3
152.96944	0.3
153.00679	0.5
153.06990	0.1
155.06013	0.6
155.08582	1.6
156.09265	0.1
156.99052	0.4
157.01326	0.3
157.06621	1.4
157.10126	49.2
158.06027	0.2
158.09532	0.8
158.10718	1.6
158.15417	0.3
159.08060	0.4
163.03883	0.3
169.07591	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0648
Annotation	2-Naphthaldehyde
Peak:m/z	Relative Intensity
54.65374	0.2
55.05509	0.7
56.05032	0.5
56.96565	2.5
57.07074	0.4
57.93560	1.5
58.06577	0.3
59.06132	0.3
60.04531	0.5
60.05659	0.2
62.09760	0.2
63.81750	0.2
67.05478	0.3
68.05019	0.4
69.03433	0.3
69.07067	0.7
70.06601	1.7
70.74860	0.2
70.95860	1.1
71.04993	0.3
71.58006	0.2
71.95894	0.5
72.04533	0.4
72.08147	0.5
72.93781	1.3
73.93842	0.7
74.93832	6.0
75.93608	0.5
75.94585	0.3
79.05486	0.5
81.07092	0.2
83.04973	0.6
83.06098	0.5
84.04506	0.5
84.08134	0.3
86.06077	0.3
86.09708	0.5
88.07611	0.2
88.96916	0.5
89.96941	0.3
90.94820	0.7
91.05494	0.6
92.94860	2.0
93.04519	0.2
93.07045	0.3
95.04968	0.4
95.08638	0.3
97.02906	0.4
97.06531	1.1
97.10167	0.3
98.06084	0.6
98.97585	1.9
99.04478	0.4
102.09184	0.4
103.05459	2.1
110.07194	0.6
110.95886	0.6
111.05590	0.4
111.07463	0.5
111.08134	0.3
111.98452	0.3
112.02167	0.3
112.07617	0.6
114.10296	0.3
114.77925	0.2
115.03942	0.2
115.05449	0.9
115.96433	4.3
116.07095	0.4
116.97239	2.9
116.98592	3.4
116.99457	0.3
127.05461	1.0
128.06221	36.1
129.01810	0.9
129.07002	100.0
130.06499	2.5
130.07350	3.7
130.99760	0.2
131.04959	0.4
132.95831	0.5
133.03419	0.2
133.96078	0.7
133.97475	3.6
134.01221	0.2
134.97261	0.4
134.99654	7.1
139.03899	0.3
139.98849	0.3
140.07130	0.3
142.07774	1.3
145.06473	6.5
146.06830	0.3
148.96150	0.5
150.96909	1.9
151.97076	2.9
152.96964	0.8
153.00728	2.9
155.06038	4.1
156.99071	0.6
157.01379	1.4
157.06480	40.2
157.09917	1.5
158.01295	0.5
158.04419	0.2
158.06850	1.9
158.08134	0.7
158.09631	4.2
158.15445	0.8
169.98042	0.3
174.98796	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0648
Annotation	2-Naphthaldehyde
Peak:m/z	Relative Intensity
55.01874	0.4
55.05507	1.1
56.05029	0.5
56.96569	3.9
57.07076	3.6
57.50581	0.4
57.93567	3.0
58.07408	2.6
59.06087	0.4
60.04506	0.5
67.05464	0.5
68.05027	0.4
68.33329	0.3
68.99770	0.3
69.03434	0.6
69.07069	0.7
69.34460	1.8
69.34893	1.2
70.06592	1.1
70.95853	1.2
71.01372	0.4
72.08151	0.6
72.93793	2.1
73.93816	0.6
74.93138	0.6
74.93830	15.8
75.93617	2.1
75.94607	0.6
79.05509	0.6
81.07077	0.7
83.04986	0.8
84.04501	0.8
85.02911	0.4
86.06071	0.7
87.04440	0.5
89.96918	0.3
90.94823	0.6
91.05478	0.7
92.94859	6.4
93.07059	0.7
93.94633	1.1
97.02872	0.4
97.06523	1.3
98.06059	0.9
98.96210	0.4
98.97576	3.8
99.04447	0.6
100.07610	0.6
102.09187	0.7
103.05482	1.6
106.67330	0.3
110.07156	0.7
110.95870	1.4
111.00793	0.4
111.04433	1.0
111.08146	0.5
111.95695	0.6
112.07617	0.7
115.05453	0.9
115.96435	10.0
116.07101	0.6
116.85924	0.3
116.96308	0.6
116.97253	5.1
116.98598	5.4
117.06995	0.4
127.05410	0.6
128.06223	23.2
129.01840	1.0
129.07011	39.0
130.06519	2.8
130.07365	1.5
131.04958	2.9
131.99593	0.4
132.95863	0.6
133.95901	0.8
133.97478	10.7
134.97258	1.6
134.99652	9.8
139.05406	0.4
141.06975	1.0
142.07785	4.0
143.07251	0.4
145.06482	4.4
148.96152	0.9
149.01089	0.4
150.96880	2.1
151.97136	2.4
151.98314	0.4
152.96950	1.7
152.98135	0.3
153.00716	3.0
155.06029	3.0
156.99091	1.1
157.01416	1.7
157.06490	100.0
157.09999	3.7
157.14189	3.3
158.01253	1.0
158.06941	4.1
158.08147	0.7
158.09599	6.0
158.15387	0.7
167.02342	0.4
170.98009	0.4
176.02368	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52645	0.3
55.01888	0.2
55.05524	0.9
56.05030	0.4
56.96564	2.9
57.03441	0.3
57.93567	2.3
59.06153	0.3
60.04536	0.6
65.58283	0.3
67.05530	0.4
69.03441	0.4
69.07066	1.4
69.32759	0.2
70.06615	0.9
70.95874	1.7
71.05007	0.4
71.34480	0.3
71.81451	0.2
71.95927	0.8
72.04521	0.4
72.08166	0.7
72.93784	2.8
73.93856	0.9
74.93832	8.1
75.93628	0.5
75.94604	0.5
79.05509	0.5
81.07083	0.4
83.04996	0.5
83.06139	0.4
83.08624	0.3
84.04496	0.4
84.08179	0.4
86.06084	0.4
88.96907	0.4
90.94839	0.8
91.05465	0.5
92.94868	2.9
93.07059	0.6
93.94699	0.3
95.08595	0.4
96.44260	0.2
97.06550	0.5
98.06040	0.3
98.09688	0.3
98.97581	2.6
99.04472	0.6
99.05612	0.4
101.79073	0.3
103.05468	2.3
106.97906	0.3
110.07143	0.5
110.95912	0.6
111.00819	0.2
111.04419	0.3
111.05589	0.6
111.07477	0.3
112.07600	0.6
112.08753	0.3
112.98621	0.4
115.05457	0.6
115.96440	5.0
116.97234	5.0
116.98589	5.1
117.07009	0.3
121.10141	0.4
127.05396	0.5
128.06223	27.7
129.01833	0.6
129.07008	39.6
129.99562	0.3
130.06516	2.2
130.07361	1.5
130.99808	0.3
131.04915	3.8
131.99579	0.3
132.95819	0.7
133.96057	0.8
133.97469	4.8
134.99655	7.6
139.11171	0.4
140.07050	0.3
140.08092	0.5
141.06952	0.3
142.07776	1.7
145.06468	4.6
148.96159	0.7
150.96892	2.6
151.97079	4.6
152.96931	1.5
153.00681	2.0
155.06044	3.9
157.01430	1.2
157.06482	100.0
158.01244	0.4
158.06909	4.5
158.08171	0.6
158.09612	4.1
158.15359	0.4
170.97997	0.3
174.98767	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.8
56.05022	2.4
56.96551	1.8
57.04559	1.2
57.93557	1.5
58.01451	1.4
58.99847	1.5
59.06115	0.7
69.04597	0.5
70.06572	0.6
70.36056	2.1
70.95858	1.7
71.95893	0.9
72.04520	1.1
72.93785	1.7
73.93809	0.7
74.93822	0.9
76.02500	1.0
76.13156	0.5
77.00878	1.0
79.05469	0.5
82.01437	0.7
83.06099	0.9
84.08146	0.6
94.60556	0.5
97.02870	0.6
97.26616	0.5
98.00900	0.7
98.97588	7.2
100.02484	4.9
101.00885	3.4
101.02563	0.8
103.00617	0.7
103.02426	1.4
105.00374	0.9
111.05563	1.3
115.02426	1.8
115.03530	0.7
116.01950	12.4
116.97252	6.2
116.98618	12.1
118.02663	1.0
118.03522	25.8
119.01923	41.6
120.02012	6.8
121.01643	3.9
121.03496	1.1
124.02336	0.6
128.06213	0.6
132.05063	2.0
132.95839	0.8
133.01677	2.3
133.03511	13.9
133.05293	7.2
133.96109	1.0
134.02988	100.0
134.04788	10.1
134.99666	11.0
135.03172	3.6
135.05049	1.2
136.03496	1.1
136.04552	18.6
137.02971	20.9
137.04021	1.3
138.03091	3.2
138.04037	0.5
139.02608	1.1
139.03543	1.6
141.05070	0.8
142.03485	2.0
145.94449	0.6
147.05022	0.6
148.03809	2.8
149.03529	1.5
150.06114	2.0
150.96893	3.1
151.02689	1.2
151.04518	4.8
151.06277	8.3
151.97107	3.6
152.02191	1.1
152.04044	21.8
152.05881	8.4
152.96933	2.1
153.00745	3.0
153.04361	0.7
157.03474	1.5
157.04559	13.4
157.06418	0.8
158.02945	2.6
158.04779	1.1
158.08240	0.5
158.09557	2.8
160.04550	1.4
166.05037	1.7
170.23273	0.5
175.04443	2.3
175.06133	6.3
176.04076	4.0
176.05884	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	156.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04216	0.2
55.19543	0.2
56.05025	1.1
56.50024	0.3
68.05028	1.3
70.06594	2.4
70.93326	0.5
70.93660	0.4
81.04546	1.2
82.05334	2.8
83.06105	14.2
84.06434	0.2
85.07671	0.4
93.04531	8.5
95.06094	7.5
96.06430	0.3
98.09697	0.4
110.07166	100.0
111.05585	0.6
111.06869	0.4
111.07503	2.2
112.08741	0.3
119.01910	0.7
133.55916	0.3
150.06232	0.3
156.07698	5.8
156.97499	0.3
157.08031	0.3
174.98578	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0768
Annotation	D-Histidine
Peak:m/z	Relative Intensity
55.01872	0.4
55.05507	0.3
55.93527	0.9
56.05031	1.6
56.96564	1.3
57.03433	0.1
57.04564	0.2
58.06582	0.2
58.99883	0.2
59.06132	0.2
60.05645	0.4
67.05511	0.2
68.05029	1.3
69.03433	0.4
69.07061	3.4
70.06588	2.2
70.95862	10.3
71.57772	0.2
72.04544	0.2
72.08151	5.4
72.93786	9.0
73.02953	0.2
74.06057	0.2
74.97614	0.2
77.17997	0.1
80.05014	0.2
81.03428	0.3
81.04541	1.1
82.05316	3.1
82.06578	0.5
83.06101	12.8
83.08621	0.2
83.45673	0.1
84.04498	0.3
84.05659	0.2
84.06429	0.2
84.08147	1.7
85.07664	4.8
86.06065	0.4
88.96899	2.9
90.94827	2.4
93.04524	9.6
93.07069	0.2
94.04842	0.2
95.06087	7.2
95.06697	0.4
96.04519	0.4
96.08154	0.2
97.02893	0.2
97.03999	0.2
97.07633	0.3
98.06060	0.2
98.07183	0.2
98.09690	0.9
98.97541	0.2
99.06702	0.2
100.07635	0.2
101.00888	0.6
103.02471	0.2
104.45972	0.1
106.97945	0.4
108.90229	0.1
108.95855	0.6
109.02818	0.2
109.05097	0.2
109.07629	0.1
110.07160	100.0
110.09644	3.2
111.00762	0.4
111.05560	1.0
111.06818	0.4
111.07488	2.2
111.09198	0.3
111.98466	2.8
112.05010	0.1
112.07574	0.2
112.08733	0.3
112.11246	0.3
112.51471	0.1
113.96385	0.9
114.06673	0.2
114.94792	0.2
115.02405	0.2
115.08630	0.1
117.04004	0.7
118.03461	0.3
119.01918	3.6
120.01996	0.8
121.01662	0.3
121.05090	0.2
123.80901	0.1
128.09299	0.3
128.10739	0.1
129.01791	0.1
129.99506	2.1
131.01894	0.5
131.97406	0.5
132.02013	1.2
132.05075	1.4
132.95830	9.0
133.01640	1.0
133.03445	1.1
133.05162	0.1
134.02956	0.3
134.99640	0.2
135.05025	0.9
137.02975	1.4
138.03058	0.2
138.05531	0.3
138.06595	0.4
138.09138	0.2
139.05061	0.3
139.06079	0.2
139.08633	0.2
142.03505	0.6
146.99638	0.2
147.03769	0.4
147.04991	0.2
150.03058	0.7
150.06120	0.9
150.96881	21.8
151.02716	0.4
151.04501	0.4
151.06212	0.2
151.97131	0.5
155.97420	0.7
156.03226	0.2
156.06587	0.2
156.07683	5.6
156.08780	0.3
156.10190	1.8
156.11339	0.5
156.13840	0.3
156.14928	0.7
157.01369	0.3
157.03503	0.4
157.07858	0.2
160.04533	0.3
165.04781	0.2
168.97981	0.9
173.98517	1.5
174.03067	0.3
174.06146	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0768
Annotation	L-Histidine
Peak:m/z	Relative Intensity
53.93917	0.1
56.05035	1.3
68.03435	0.1
68.05021	1.1
70.04169	0.5
70.06592	1.1
70.95858	0.6
72.08147	0.4
72.93782	0.6
73.89198	0.1
77.51460	0.1
81.04542	0.9
82.05320	2.9
82.06589	0.1
83.06105	12.3
84.06429	0.2
85.07662	0.3
86.06051	0.1
90.94849	0.3
93.04532	9.0
94.04849	0.2
95.06093	7.5
96.06424	0.2
101.00902	0.1
110.07166	100.0
111.05582	0.8
111.06839	0.4
111.07507	2.1
111.98473	0.1
112.08736	0.2
119.01942	0.8
120.02016	0.2
129.99500	0.1
131.01897	0.2
132.02029	0.8
132.05066	0.1
132.95842	0.6
133.01662	0.3
133.03458	0.3
137.02945	0.4
138.06610	0.1
139.04967	0.1
142.03493	0.3
150.03090	0.2
150.96916	0.9
151.02652	0.1
156.07687	6.0
157.01314	0.2
157.08076	0.2
157.09741	0.4
167.90297	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	156.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26426	0.7
55.93521	3.4
55.93739	0.7
56.05037	9.2
57.40763	0.7
58.99860	1.4
59.06105	1.3
66.68863	0.8
70.02940	0.9
70.04899	3.7
70.95866	45.1
72.04501	2.1
72.93789	38.2
73.93806	0.8
74.06088	0.8
77.00904	0.8
81.04541	0.9
83.06099	1.2
88.96408	1.0
88.96906	13.9
90.94827	8.0
94.58279	0.7
97.03996	1.3
98.20813	0.9
100.02477	3.5
101.00867	8.7
103.02438	5.3
106.97945	2.1
108.95860	2.2
110.07196	1.1
111.05548	1.1
111.98468	12.5
113.96400	3.2
114.04002	4.1
114.06644	1.1
114.94826	1.0
115.02436	2.6
115.04179	1.0
116.01960	2.2
117.04005	0.8
118.03532	6.3
119.01920	69.6
120.02027	3.0
121.01659	1.2
121.03470	2.3
129.99519	9.6
131.97421	1.3
132.02026	2.7
132.05066	73.4
132.95833	34.7
133.01660	5.2
133.03497	25.4
133.04407	2.0
133.05309	11.3
134.02980	22.8
134.04750	2.4
136.04549	4.7
137.02956	34.3
138.03075	1.6
138.04176	0.8
138.05498	0.8
138.06599	1.8
138.99890	1.0
139.03514	0.9
139.49719	1.8
142.03499	3.2
147.03772	31.8
147.04976	1.5
148.03847	2.0
150.06123	62.6
150.96887	100.0
151.02661	2.7
151.04521	10.5
151.06255	11.7
151.97067	2.2
152.04034	4.4
152.05829	1.8
155.06656	2.6
155.97379	3.9
156.03162	0.9
156.05051	7.2
156.06268	1.5
157.04541	5.3
160.04559	1.1
165.04836	18.1
166.04987	1.2
168.97949	5.5
173.07765	1.6
173.98494	5.0
174.06120	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	3.0
55.05500	1.1
56.05019	1.5
56.96563	7.9
57.03418	2.1
58.06579	0.8
58.99845	1.6
60.95818	0.8
61.02923	1.1
64.08059	0.8
67.05502	1.5
68.05007	2.0
69.03428	3.8
69.84602	5.1
70.06561	3.1
70.95864	6.2
71.04951	1.1
72.04515	1.0
72.08154	12.9
72.93778	7.2
73.02887	3.4
74.02837	0.9
74.09717	17.9
74.97568	0.8
77.00866	1.9
77.58875	0.8
78.01007	1.1
81.03429	1.7
81.04530	1.1
82.05293	1.9
82.06554	3.4
83.05617	1.0
83.06100	11.0
84.01571	4.6
84.01959	0.8
84.04467	1.2
85.01408	1.0
85.02885	3.7
85.07179	1.0
85.07664	13.6
86.06082	4.6
88.96883	3.5
90.94816	2.0
93.02059	3.7
93.04521	7.5
94.06547	0.9
95.06100	8.6
96.01514	1.2
96.08146	1.0
96.96886	1.7
97.02870	2.1
98.09685	16.2
98.97579	1.7
100.02474	5.8
100.07584	1.1
101.00866	1.8
102.00922	0.8
103.00578	0.9
103.02440	13.2
104.02505	1.2
105.02071	2.5
106.02622	0.9
106.97945	1.1
108.95810	1.0
110.01376	1.0
110.07162	100.0
111.02047	2.7
111.04413	1.0
111.06797	1.0
111.07474	1.0
111.98421	2.8
112.07594	1.2
114.00935	1.5
115.00578	1.0
115.02403	2.7
116.98598	2.1
117.02062	0.9
118.01115	2.6
118.03496	3.4
119.00069	0.9
119.01915	14.5
120.01971	4.2
121.01636	2.6
121.03475	11.3
122.03615	0.8
126.05457	1.0
128.02283	1.6
128.07051	1.9
128.07939	0.8
130.06294	17.1
131.00194	1.7
131.01913	4.6
132.02011	17.1
132.05023	2.2
132.95839	7.5
133.00658	1.0
133.01668	13.8
133.02536	1.7
133.03456	29.9
134.03671	1.3
135.05026	0.9
137.02917	5.5
138.03061	2.6
138.05466	6.5
138.09146	4.7
139.02693	1.2
139.03856	0.7
139.08655	1.4
141.02650	1.1
142.01105	2.0
142.03465	2.3
144.05002	1.3
145.03510	1.0
149.01213	7.6
149.02945	2.0
150.03049	6.7
150.06116	2.3
150.96884	21.5
151.02698	4.2
151.04521	16.4
152.04643	1.7
155.03703	0.8
156.04182	68.4
156.06406	2.1
156.07643	7.4
156.10233	5.5
156.11331	1.6
156.13799	3.4
156.14975	1.9
157.01544	0.9
157.03416	1.3
157.09668	2.7
160.02176	2.9
167.02229	3.6
168.97920	1.5
173.98474	1.9
174.03076	2.5
174.06094	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	155.0188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
54.93823	0.6
55.01868	1.4
55.05495	1.2
55.93515	3.3
55.94605	0.5
56.05028	1.7
56.94293	0.6
56.96282	0.8
56.96560	12.0
57.03433	1.9
57.07084	0.3
58.06598	0.6
58.99854	2.2
61.02921	1.7
65.34982	0.4
67.05502	1.3
68.05020	1.7
69.03416	2.7
69.69553	1.2
69.69981	1.2
69.96164	4.2
70.06579	1.7
70.95858	19.4
70.99886	0.4
71.01357	0.6
71.04988	1.0
71.92997	0.5
71.94096	1.3
72.04534	0.4
72.08157	0.8
72.93782	42.4
73.02906	2.8
74.09705	0.9
74.97597	1.5
75.01035	0.4
75.04562	0.3
77.00906	3.0
81.01881	0.4
81.03403	1.3
81.04530	1.1
81.07056	1.0
82.01435	0.7
82.05325	2.8
82.06567	1.6
82.99822	0.4
83.00805	0.4
83.04996	1.8
83.06097	12.0
84.01560	1.4
84.04501	0.7
84.08141	0.9
85.01380	0.5
85.02886	2.5
85.07648	0.7
86.06059	1.8
87.04444	0.8
87.97215	0.4
88.02680	1.1
88.96895	9.9
89.00869	0.5
89.02428	0.5
89.95172	0.4
90.01556	0.4
90.05531	0.5
90.51618	0.3
90.94820	16.4
91.05486	0.8
91.52105	0.6
92.01321	0.8
93.02041	1.3
93.04518	7.5
94.02660	0.4
94.06573	0.6
94.40945	0.3
94.99796	0.5
95.00766	0.4
95.01943	1.3
95.04975	0.7
95.06085	8.0
96.04476	1.3
97.02810	2.5
97.07631	0.5
98.06052	0.4
98.07171	0.5
98.09641	0.4
98.97581	1.9
98.98456	0.5
99.04437	1.2
100.02472	6.9
100.07607	0.3
101.00859	6.2
101.02555	0.6
102.02363	0.6
103.02430	3.8
104.01270	0.5
104.96368	0.6
105.00349	1.0
105.02090	1.0
106.97919	2.5
107.04966	0.5
108.95847	5.3
109.02885	0.7
109.06521	0.5
109.07639	0.8
109.10109	0.4
110.01333	0.4
110.07155	100.0
110.97570	0.4
111.02043	0.6
111.02972	0.3
111.04434	1.2
111.05553	0.9
111.98466	8.4
112.07594	0.6
113.00834	4.5
113.06010	1.0
113.96392	11.9
114.00931	0.4
114.94801	0.6
115.02442	1.1
116.98634	2.0
117.02029	0.5
118.01139	1.1
118.03518	6.7
119.01908	53.2
120.01934	1.8
120.05865	0.3
121.01620	1.4
121.03480	3.2
122.91628	0.3
122.97449	0.5
124.02464	0.5
126.02518	0.4
127.03915	1.4
127.07531	0.5
128.02287	0.5
128.98599	0.5
129.99504	6.4
130.06290	0.7
131.01894	63.3
131.95146	0.4
131.96150	5.0
131.97420	15.4
131.99622	0.7
132.01941	7.2
132.05020	2.3
132.95819	19.1
133.01633	1.4
133.03455	9.2
134.99666	1.4
135.03113	0.5
136.02386	0.3
136.04559	0.6
137.02948	24.3
137.10727	0.4
138.01886	0.8
138.02966	0.6
138.05452	1.0
138.06503	0.5
138.09128	1.2
141.02699	0.6
142.03482	12.4
145.03433	1.4
146.99640	1.5
147.03075	0.5
147.04974	0.7
149.01242	3.0
149.02945	23.7
149.06593	0.5
149.96199	0.7
149.97191	17.4
150.00755	0.8
150.02986	2.3
150.06125	1.7
150.96873	65.1
150.99039	1.7
151.04507	5.2
152.04660	0.4
153.01059	0.4
154.03465	2.6
154.04807	0.6
154.97772	0.5
154.98987	0.5
155.01833	4.7
155.03563	1.4
155.05357	0.9
155.06984	2.4
155.08162	1.1
155.09192	0.6
155.11777	1.5
155.97411	2.9
156.02025	0.3
156.04109	3.6
156.06346	0.6
156.07658	6.6
156.10135	0.8
156.11319	0.4
160.04558	5.6
161.02946	0.5
163.04507	0.4
164.02193	0.5
164.98473	0.8
167.02245	1.2
167.98245	2.3
168.97923	3.9
169.00185	1.2
172.98851	0.9
173.01418	0.6
173.02943	9.2
173.04272	0.3
173.98488	4.3
174.06195	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
54.93830	0.9
55.01862	1.5
55.05507	1.9
55.93519	3.9
55.94602	0.7
56.05027	1.5
56.94297	1.0
56.96282	0.9
56.96562	16.6
57.03432	3.3
58.99855	4.1
60.05925	0.4
60.95845	0.4
61.02922	1.6
61.90465	0.4
65.27731	0.4
67.05489	1.7
68.05003	1.3
69.03423	3.8
69.04527	0.6
69.07069	0.6
69.96169	6.4
70.06583	2.1
70.95859	18.7
70.99847	1.0
71.01329	0.6
71.04982	1.4
71.58347	0.8
71.94098	2.9
72.08139	1.1
72.93781	44.2
73.02901	3.6
74.06074	0.6
74.09709	2.0
74.97595	1.6
77.00892	5.0
78.00954	0.4
78.52924	0.7
79.05495	0.4
81.03422	2.3
81.04520	0.9
81.07050	0.9
82.01427	0.9
82.05322	1.4
82.06568	1.6
82.99834	0.8
83.00780	1.3
83.04987	2.3
83.06101	8.2
84.01546	3.0
84.08128	1.5
85.01388	0.9
85.02885	3.0
85.07671	0.9
86.06063	1.9
87.04446	0.4
87.97204	0.6
88.02657	1.2
88.96896	9.2
89.00806	0.7
89.25706	0.4
89.95126	0.7
90.05539	0.5
90.94253	1.0
90.94817	17.4
91.05467	1.1
91.52073	0.5
92.01291	1.2
93.02049	1.6
93.04522	5.4
94.06569	0.9
94.99749	0.5
95.01920	2.1
95.03428	0.5
95.04972	1.5
95.06068	5.1
95.08589	0.6
96.01513	0.8
96.04470	1.5
96.08131	0.6
96.96882	0.5
97.02859	4.1
97.07632	0.9
98.01246	0.5
98.06023	1.0
98.09676	1.5
98.97604	2.2
98.98470	0.9
99.04436	1.2
100.02471	11.5
101.00860	8.1
101.02552	0.8
102.00903	0.4
102.02381	0.9
103.02444	4.9
103.03147	0.7
104.01250	0.7
105.00372	1.2
105.02074	1.1
106.97929	1.9
108.95855	5.2
109.02847	1.0
109.06496	1.0
109.07650	0.9
110.01310	0.8
110.07153	70.1
110.97556	0.5
111.02036	1.9
111.02857	0.9
111.04433	1.9
111.05538	0.5
111.53069	0.4
111.98459	6.3
112.07601	0.4
112.09952	0.4
113.00846	7.3
113.05986	1.5
113.53113	0.4
113.96391	13.9
114.00936	0.9
114.04003	1.0
114.05580	0.5
114.94716	0.6
115.02393	0.6
116.98606	2.4
117.02035	0.7
118.01106	1.7
118.02760	0.9
118.03513	9.4
119.01907	78.9
120.01905	2.5
120.02721	0.5
121.01652	1.2
121.03474	4.3
123.01329	0.7
124.02406	1.0
125.01770	0.5
126.09148	0.5
127.03915	1.2
127.07537	0.8
128.98601	0.5
129.03914	0.4
129.05528	0.6
129.54057	0.5
129.99504	6.1
130.03462	0.7
130.06262	1.4
131.01894	100.0
131.95171	0.5
131.96135	7.8
131.97411	14.6
131.99632	0.8
132.01932	9.9
132.05035	3.7
132.95827	16.7
133.01628	2.3
133.03442	12.5
134.03641	0.5
134.99637	2.6
137.02942	35.4
137.07008	0.8
137.10643	0.6
138.01801	1.1
138.02954	1.0
138.05453	1.4
138.09120	1.6
141.02631	0.6
141.05081	0.9
142.03490	19.4
143.03613	0.5
144.03392	0.5
145.03519	2.8
146.99577	0.8
147.05028	1.1
149.01224	4.9
149.02946	36.8
149.97189	27.0
149.98251	0.8
150.00674	1.1
150.02913	3.4
150.06032	2.3
150.96872	60.7
150.98970	1.8
151.02663	0.8
151.04488	7.1
152.97281	0.6
153.01096	0.8
154.03476	3.9
154.04645	0.8
154.90730	0.9
154.97746	0.7
154.99002	1.0
155.01874	8.5
155.03493	2.1
155.05353	0.8
155.06992	3.3
155.08168	1.2
155.11743	2.6
155.97411	3.1
156.03088	0.6
156.04147	6.4
156.06479	0.8
156.07669	5.8
156.10152	1.2
156.11298	0.6
157.03481	0.6
160.04532	8.7
161.02919	0.8
163.04526	0.6
164.98431	0.7
165.05081	1.0
167.02324	2.4
167.98265	2.8
168.97908	3.4
169.00165	1.8
172.04549	0.9
172.98805	1.1
173.01422	0.7
173.02942	13.5
173.04504	0.9
173.98514	4.7
174.03064	1.3
174.06198	1.0
174.08017	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	cis-2,8-Menthadien-1-ol
Peak:m/z	Relative Intensity
53.00305	1.3
53.03931	2.5
54.84837	0.9
55.01883	4.6
55.05264	1.3
55.05509	15.8
56.96573	8.0
57.03197	0.8
57.03442	6.8
57.07061	3.6
59.04992	2.3
61.02337	0.9
65.03937	8.9
65.34930	0.9
66.04636	0.9
67.05504	43.6
68.99819	0.9
69.03414	3.6
69.07069	62.3
69.51005	7.3
70.07404	1.5
70.94262	8.1
71.04978	3.6
71.94098	8.9
71.95261	10.5
79.05494	42.4
80.05029	1.7
80.05802	1.2
81.03400	1.7
81.07058	45.9
82.07382	0.9
83.04974	9.3
83.08614	7.7
85.02899	0.9
85.06548	2.1
88.95280	3.3
89.95142	1.6
91.04955	1.4
91.05476	11.4
93.03413	1.5
93.07042	64.3
94.07349	1.7
95.04969	6.5
95.08606	24.3
97.02901	1.0
97.06533	28.2
103.85390	0.7
105.07024	3.0
107.04948	3.6
107.08595	63.2
108.04465	1.9
108.08137	0.9
108.08958	1.6
109.06537	2.5
109.10155	38.9
110.03631	3.4
110.10497	1.3
111.04480	13.5
111.08075	11.8
111.96867	3.6
112.04765	2.3
112.96665	1.6
117.07024	1.2
125.06010	7.4
125.09600	1.3
126.06331	3.0
128.66068	0.8
129.97903	4.3
130.97755	2.8
130.98749	1.0
133.10115	1.0
135.04391	1.8
135.08070	3.9
135.11691	100.0
136.03931	4.2
136.07567	2.3
136.12007	4.6
138.03185	2.0
138.05046	2.7
138.06761	1.0
148.97398	1.7
149.01184	1.3
153.01938	1.2
153.04243	1.7
153.05472	7.0
153.07550	7.3
153.09172	4.7
153.12747	69.8
154.02496	1.4
154.04976	4.8
154.08612	2.4
154.13109	2.8
154.16000	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0408
Annotation	Xanthine
Peak:m/z	Relative Intensity
53.03936	1.4
53.93991	0.4
54.03474	0.7
55.01878	1.7
55.02995	6.7
55.05502	2.3
56.05027	1.6
56.96568	8.9
57.03432	1.5
57.04544	0.5
58.06602	0.7
59.04999	1.0
65.03944	7.4
67.02986	1.9
67.05509	3.5
68.05030	2.2
68.96337	3.9
69.03064	0.5
69.03425	3.3
69.04543	1.5
69.07066	3.3
70.02935	0.7
70.06009	0.4
70.06593	3.8
70.94260	4.7
71.01344	0.5
71.04971	1.2
71.06120	0.7
71.06944	0.7
71.15059	0.8
71.95274	0.4
72.04510	0.6
72.08155	1.5
74.02428	0.5
79.05490	7.0
80.05029	2.2
81.00898	1.7
81.03423	1.5
81.04543	3.6
81.07055	3.1
82.04067	5.9
82.05315	0.5
82.06571	2.2
83.02464	1.4
83.04985	4.0
83.06105	1.8
83.08620	0.7
84.04490	1.3
84.05639	0.4
84.08140	2.7
85.01129	0.6
85.02924	0.8
85.04042	0.4
86.06086	0.4
86.97367	2.0
87.04424	0.4
88.95287	1.5
88.96913	0.4
91.05468	2.6
93.00886	1.1
93.03419	1.2
93.07047	4.7
94.04166	0.7
94.06567	1.7
94.07120	0.3
95.02456	0.6
95.04971	3.6
95.06071	2.1
95.08601	2.3
96.04491	0.6
96.05646	0.9
96.06905	0.5
96.08130	0.7
97.02895	1.3
97.04032	0.9
97.06534	5.8
97.07680	0.9
98.06068	1.5
98.07197	0.5
99.05607	0.4
105.07038	0.6
106.06538	0.4
106.96335	0.6
107.04958	8.6
107.05683	0.4
107.06091	1.5
107.06866	0.5
107.08607	5.7
108.01978	1.4
108.04501	2.2
108.05636	1.2
108.08148	2.0
108.08781	0.4
109.02877	0.9
109.03973	0.4
109.06507	3.2
109.07637	1.7
109.10149	1.7
109.98966	1.1
110.03532	76.6
110.06020	1.8
110.07211	0.9
110.08447	0.6
111.04462	14.7
111.05598	0.8
111.08089	2.4
111.09201	1.5
112.05093	15.4
112.05880	0.8
112.07626	0.9
112.08723	1.3
113.05887	5.3
113.07130	0.7
116.98600	0.6
119.01901	0.6
121.02872	1.4
123.05537	0.4
124.07653	0.5
124.08829	0.4
125.04534	0.4
125.05996	5.1
125.07053	1.3
125.09636	1.0
126.05481	2.6
126.06560	0.8
126.07751	1.2
126.09175	0.5
127.05009	0.5
128.00006	0.7
128.03613	0.8
128.04568	15.6
129.04849	0.4
129.97935	0.6
130.96294	2.7
131.01917	1.1
134.99704	1.0
135.03061	0.6
135.04413	3.1
135.05525	1.1
135.06387	0.7
135.08070	2.3
135.09076	0.6
135.11699	1.4
136.01430	24.4
136.03909	2.3
136.04956	0.8
136.06206	0.5
136.07570	1.7
136.08720	1.2
137.01759	0.5
137.04602	0.9
137.06073	0.4
137.07034	0.5
137.10773	0.5
138.06714	0.8
146.99640	0.9
148.97369	11.1
149.01204	0.8
149.02975	0.6
153.04082	100.0
153.05417	4.0
153.07635	1.8
153.09085	3.0
153.10240	2.6
153.11360	1.9
153.12746	1.9
153.13812	0.5
154.02478	97.2
154.04613	2.8
154.05037	2.8
154.08624	1.6
154.09758	1.6
154.13322	0.5
155.02815	1.3
160.97578	0.5
161.01208	0.8
161.02898	0.4
166.98447	1.1
171.98969	1.4
173.03099	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.107
Annotation	alpha-Methyl-m-tyramine
Peak:m/z	Relative Intensity
51.02361	0.2
53.03942	0.5
54.03456	0.5
55.01862	0.6
55.02998	0.2
55.05502	0.5
56.05029	0.8
56.96290	0.3
56.96563	3.9
57.03426	0.4
57.04555	0.1
57.07069	0.2
58.06588	0.4
59.05001	0.1
60.04539	0.2
60.05639	0.3
65.03940	1.8
67.02982	0.3
67.04239	0.3
67.05496	1.0
68.05025	1.7
69.03426	0.8
69.04544	0.5
69.07062	1.0
70.02945	0.2
70.06590	3.2
70.50167	0.2
70.50507	0.5
70.94238	0.3
71.04966	0.4
71.95256	0.2
72.08134	0.2
73.02908	0.2
77.03894	0.2
78.03451	0.7
78.08172	0.1
79.05490	5.0
80.05013	1.5
80.05804	0.2
81.03422	0.7
81.04549	0.7
81.05796	0.2
81.07047	0.7
82.04108	0.2
82.05319	0.2
82.06570	1.2
83.04979	0.8
83.06095	1.2
83.08649	0.2
84.04491	0.3
84.08147	1.7
84.96027	0.3
85.02890	0.3
86.06062	0.2
91.05479	0.9
92.05006	0.2
92.05831	0.4
93.03393	0.3
93.04530	0.2
93.05787	0.1
93.07043	0.9
94.04158	0.3
94.06564	1.4
94.07396	0.3
95.04968	2.0
95.06078	0.7
95.07346	0.3
95.08611	0.5
96.04485	0.8
96.05325	0.2
96.06930	0.2
96.08140	1.6
97.02898	0.3
97.04001	0.4
97.06516	1.0
97.07647	1.8
98.01887	0.1
98.06046	0.2
98.20869	0.2
98.97591	0.5
102.64337	0.1
103.02438	0.3
104.05809	0.2
105.04547	0.2
105.07016	0.5
106.06548	3.1
106.07298	0.2
107.04952	100.0
107.08585	1.3
108.04478	1.0
108.05260	6.2
108.08109	0.6
108.08801	0.2
109.02868	0.7
109.05240	0.3
109.06504	1.2
109.07638	2.4
109.10161	0.5
110.03575	1.0
110.06073	0.7
110.07147	0.4
110.08441	0.2
110.97543	0.4
111.04434	3.5
111.05579	0.4
111.08056	0.5
111.09221	1.1
112.06347	0.4
112.07555	0.2
112.08785	0.2
112.10006	0.8
113.05888	1.4
116.98621	0.7
121.02814	0.3
121.06470	0.2
122.06063	0.2
122.06816	0.7
123.04421	0.3
123.08010	0.2
123.09157	0.2
124.03943	0.6
124.04892	0.2
124.07593	1.7
124.08517	0.4
125.05982	1.5
125.07108	0.5
125.09676	0.2
125.10751	0.4
126.06588	0.3
128.04556	0.5
128.98624	1.2
129.97900	0.4
131.04962	0.3
134.06013	3.1
134.07086	0.6
134.09624	0.2
134.99637	0.7
135.02960	0.2
135.03293	0.1
135.04436	5.9
135.05504	0.7
135.08063	13.9
135.09137	1.5
135.11674	0.3
136.01410	0.2
136.03931	0.2
136.04893	0.2
136.08447	0.6
137.09479	0.2
146.97462	0.6
146.99651	3.1
147.01401	0.4
147.03281	0.2
148.00035	0.2
148.07556	0.2
152.01619	1.1
152.03429	2.5
152.04378	0.3
152.05687	3.6
152.07063	4.5
152.08203	1.6
152.10692	5.6
152.11836	2.0
153.01898	0.3
153.04077	2.1
153.05463	1.1
153.06615	0.4
153.07654	0.5
153.09094	0.7
153.10188	0.3
153.11272	0.4
153.12746	0.5
154.02505	0.4
158.99629	0.2
161.01219	0.3
165.00739	0.7
170.03127	0.2
170.04478	0.5
170.99635	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0706
Annotation	(R)-Mandelamide
Peak:m/z	Relative Intensity
51.02384	0.3
53.03929	0.9
53.32199	0.2
53.55331	0.2
55.01871	0.5
56.05021	0.5
56.96560	1.5
58.06581	0.3
62.44002	0.1
65.03939	1.0
67.05506	0.5
68.05013	0.8
69.03427	0.6
69.07072	0.3
70.02932	0.4
70.06602	1.7
70.83313	0.4
77.03920	0.3
78.03449	0.4
79.05493	9.4
80.05019	1.6
80.05795	0.2
80.89359	0.2
81.03415	1.2
81.04531	0.4
81.07047	0.6
82.06571	0.9
82.79351	0.2
83.04967	0.5
83.06107	0.5
84.08141	0.9
85.02900	0.3
89.03933	0.2
91.05478	0.7
92.05015	0.2
93.03426	0.2
93.05804	0.3
93.07052	0.5
94.06573	0.8
95.04962	2.8
95.06045	0.3
96.04491	0.6
96.06897	0.2
96.08138	1.2
97.06558	0.2
97.07664	1.0
100.24358	0.2
105.04545	0.5
105.07030	0.2
106.06554	12.6
107.04952	100.0
108.04476	0.6
108.05293	3.0
108.08125	0.6
109.02873	2.4
109.05215	0.3
109.06503	0.4
109.07643	1.1
110.03536	0.6
110.06058	0.6
110.07179	0.3
111.04443	0.8
111.05602	0.4
111.08002	0.2
111.09223	0.7
112.06336	0.2
113.05864	0.3
117.03400	0.3
121.02827	0.9
123.04426	0.6
123.06840	0.2
124.03937	0.4
124.07587	1.5
124.08560	0.3
125.05979	1.0
125.07051	0.3
128.98613	0.8
131.04945	0.3
133.76042	0.2
134.06018	7.5
134.07054	0.4
135.04416	23.5
135.08049	8.0
135.09114	0.7
136.04773	0.6
146.97421	0.4
146.99612	1.3
148.07561	0.2
152.01653	0.5
152.03488	1.7
152.05695	2.6
152.07069	10.1
152.08159	0.7
152.10703	3.5
152.11835	1.1
153.04076	1.6
153.05359	0.4
153.07504	0.4
153.09175	0.3
153.11288	0.2
154.02464	0.3
165.00679	0.3
170.04515	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0706
Annotation	Streptokordin
Peak:m/z	Relative Intensity
51.02369	1.8
53.03936	3.8
54.03463	2.4
55.01858	2.7
55.05498	4.3
56.05022	4.7
56.96565	16.7
57.03442	1.2
58.06587	1.5
60.05621	1.3
65.03939	18.2
65.92458	1.1
66.03456	1.8
67.02993	2.4
67.05506	5.9
68.05032	11.8
69.03412	4.3
69.04545	2.4
69.07058	4.6
69.63229	1.0
70.06592	16.2
70.94243	2.4
70.95882	1.3
71.57555	1.5
71.95250	1.2
78.03453	3.8
79.05067	1.6
79.05491	22.1
80.05016	10.7
80.05811	2.0
81.03399	5.5
81.04552	5.3
81.05779	2.0
81.07063	6.7
82.02921	1.8
82.06583	10.8
82.07372	2.1
83.01323	1.3
83.04994	6.9
83.06112	8.9
84.04490	3.1
84.08144	6.1
91.05466	4.8
92.05013	5.9
92.05799	2.7
93.03380	3.9
93.05773	1.2
93.07033	4.2
94.04179	1.3
94.06572	12.9
94.07162	1.9
95.04969	12.6
95.06084	7.2
95.07328	2.9
95.08599	1.4
95.40289	1.1
96.04480	9.0
96.05703	1.4
96.06873	1.6
96.08128	13.4
96.08727	2.1
97.02882	1.3
97.04022	1.8
97.06513	4.8
97.07648	10.9
98.06066	1.4
104.05808	1.0
105.07020	1.3
106.02914	1.6
106.06567	17.2
106.07294	2.1
107.01300	1.4
107.04956	53.7
107.06023	5.5
107.08595	4.3
108.04456	8.8
108.05294	9.2
108.08107	3.1
108.08883	1.6
109.02863	6.3
109.05257	5.6
109.06493	3.4
109.07644	16.8
110.03617	3.5
110.06045	93.0
110.07217	2.9
110.08427	2.4
111.04439	38.9
111.05595	4.0
111.06321	1.8
111.08078	3.2
111.09187	10.1
112.06330	3.0
112.09976	4.0
113.05873	6.4
116.98591	2.1
118.06535	1.0
121.02887	2.7
121.03944	1.0
122.06033	2.3
122.06913	3.7
123.04468	2.0
123.05494	1.3
123.06767	2.7
124.03963	7.2
124.04755	1.8
124.07594	17.7
124.08485	2.6
125.05991	9.0
125.07099	3.3
125.09724	2.8
125.10735	2.8
126.05517	1.2
128.04588	1.9
128.98601	5.1
129.97916	1.4
134.06020	24.0
134.07051	4.6
135.02966	1.1
135.03326	1.5
135.04396	18.9
135.05504	3.8
135.06593	2.0
135.08029	2.7
135.09161	9.9
135.11719	2.2
140.03384	1.5
146.97426	4.7
146.99637	14.5
152.01653	10.5
152.03426	19.5
152.05719	8.3
152.07051	100.0
152.08139	9.4
152.10693	2.2
152.11812	18.5
153.01888	2.7
153.04074	5.6
153.05452	8.1
153.06496	2.2
153.07570	4.2
153.09090	3.1
153.10167	1.5
153.11330	1.9
153.12698	1.3
154.02440	1.3
158.01364	1.0
161.56972	1.2
165.00713	4.4
170.01251	1.0
170.04465	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	152.0568
Annotation	Guanine
Peak:m/z	Relative Intensity
55.02976	0.5
57.29824	0.4
64.27466	0.4
66.48705	0.4
66.93327	0.6
71.41696	0.7
71.44671	0.4
77.27841	0.5
79.13250	0.4
80.02512	0.4
82.04037	0.5
109.05132	1.6
110.03520	10.8
116.00970	0.4
128.04573	7.2
132.34395	0.4
134.04604	0.7
135.03015	17.3
152.05675	100.0
153.04076	44.4
153.06059	1.7
154.02484	0.9
154.04463	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0568
Annotation	8-Oxoadenine
Peak:m/z	Relative Intensity
51.02353	0.4
53.03924	0.7
54.03465	0.4
54.16827	0.4
55.01870	0.9
55.02747	0.5
55.02995	5.7
55.05506	0.8
56.05033	1.9
56.96563	6.3
57.04544	0.4
58.06601	0.6
59.06110	0.4
60.05639	0.7
62.62619	0.4
65.03941	3.2
66.03448	0.4
67.02984	0.9
67.05505	2.0
68.05019	3.0
69.03419	1.1
69.04522	0.7
69.07061	1.0
70.02908	0.4
70.04076	0.8
70.06594	6.3
70.94242	0.4
71.57157	0.6
71.95287	0.4
72.08125	0.5
78.03452	1.6
79.05497	2.8
80.02492	1.5
80.05018	2.4
81.03410	0.8
81.04543	1.8
81.05796	0.6
81.07043	1.4
82.04068	10.8
82.05329	0.6
82.06585	2.1
83.02448	0.4
83.04964	1.2
83.06100	2.0
84.04500	0.8
84.08137	3.4
85.04018	0.7
90.29003	0.4
91.05475	0.9
93.03366	0.6
93.04511	0.4
93.07059	1.2
94.06567	2.9
94.07087	0.4
94.07272	0.3
95.04970	1.9
95.06078	2.3
95.07347	0.7
95.08595	0.6
96.04498	1.9
96.05648	0.4
96.06876	0.7
96.08120	3.0
96.08656	0.4
97.02866	0.9
97.04019	0.7
97.05138	1.9
97.06512	0.8
97.07669	2.5
97.08205	0.5
98.03537	3.0
98.06015	0.7
98.97582	0.4
99.04327	2.9
100.05108	1.2
105.06994	0.4
106.06567	3.4
106.07290	0.6
107.03618	1.9
107.04957	9.9
107.06072	1.8
107.06774	0.5
107.08585	0.9
108.01966	2.5
108.04459	3.4
108.05606	0.6
108.08106	1.1
109.02785	0.9
109.05132	5.5
109.06512	0.6
109.07639	3.5
110.03530	10.2
110.06068	2.0
110.07163	0.8
110.08418	0.6
110.10509	0.4
110.97562	0.4
111.04438	4.5
111.05579	0.9
111.08011	0.8
111.09222	2.0
112.06326	0.5
112.09985	1.1
113.05865	1.5
118.29541	0.3
121.02808	0.7
123.05562	0.6
123.07933	0.4
124.03902	2.7
124.04778	0.6
124.06231	2.3
124.07581	3.4
124.08566	0.8
125.04597	6.7
125.06010	2.0
125.07026	2.3
125.08162	0.6
125.10659	0.5
126.05421	1.9
127.06153	15.5
128.03612	0.6
128.04555	9.4
128.98619	2.1
134.04636	2.8
134.06009	3.1
134.07137	1.6
134.45491	0.3
134.99683	0.7
135.03032	8.1
135.04382	1.2
135.05428	6.2
135.06526	0.6
135.08052	1.5
135.09175	1.9
135.11745	0.4
136.01453	0.4
136.03891	0.9
136.04929	0.6
138.03076	0.5
146.97441	0.9
146.99658	5.0
147.01392	0.9
152.01686	2.4
152.03465	5.7
152.05679	100.0
152.07010	7.6
152.08243	3.0
152.10699	1.1
152.11829	3.7
153.02872	0.8
153.04089	12.4
153.05339	0.8
153.06091	0.8
153.06438	0.9
153.07739	1.0
153.09131	1.2
153.11336	0.8
154.02516	1.3
154.04385	0.4
165.00763	0.8
170.04503	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0567
Annotation	guanine
Peak:m/z	Relative Intensity
55.02993	1.4
55.05488	0.2
56.05019	0.5
56.96567	1.2
57.03418	0.3
63.00710	0.2
65.03925	0.2
68.05021	0.3
69.03419	0.2
70.06594	1.4
71.42086	0.3
73.02904	0.2
77.00890	0.2
79.05472	0.4
80.02495	0.5
80.05004	0.2
81.03397	0.3
82.04060	1.1
82.06606	0.2
83.02470	0.2
83.06107	0.2
84.08151	1.2
85.01432	0.2
85.02898	0.2
93.00900	0.2
94.06564	0.3
95.04955	0.4
95.07329	0.2
96.08128	0.4
97.07676	0.2
98.03523	0.3
103.02448	1.0
103.03064	0.2
105.00385	0.3
106.04929	0.2
106.06535	0.6
107.03568	0.8
107.04966	1.4
107.06097	0.3
107.58791	0.2
108.01995	0.2
108.04397	0.2
108.05605	0.2
109.05133	2.9
110.03523	14.6
110.97594	0.3
111.03825	0.2
112.08724	0.2
115.02432	0.2
119.01891	0.7
120.02051	0.3
121.01655	0.4
121.03465	0.6
123.06791	0.2
124.06229	0.2
124.07600	1.0
125.04572	0.4
127.06174	0.5
128.04558	8.8
128.98608	0.8
129.00322	0.2
129.03995	0.2
133.01614	0.2
133.03423	0.3
134.04623	1.7
134.06009	4.0
135.03015	16.8
135.06607	0.6
136.01364	0.7
136.03355	0.3
136.05008	0.2
137.03053	0.2
137.07211	0.2
146.97563	0.2
146.99673	0.9
147.01384	2.5
147.03171	0.2
147.05045	0.6
152.05673	100.0
153.04068	47.2
153.06081	1.6
154.02512	1.3
154.04451	1.1
155.04489	0.2
156.07675	0.2
158.81140	0.2
165.00690	0.3
165.02460	0.4
170.03049	0.6
170.06679	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94069	0.7
53.03933	2.1
54.03450	3.0
55.01863	1.4
55.03003	3.8
55.05501	2.4
55.93507	1.0
56.05028	7.0
56.96564	12.6
57.03432	0.9
57.07064	1.5
58.06585	1.9
62.27430	0.7
65.03939	9.6
66.03438	1.1
67.02995	0.9
67.04248	1.2
67.05484	3.0
68.05028	13.3
68.94328	2.3
69.00912	38.1
69.03416	3.5
69.04540	2.0
69.07070	1.5
69.99319	1.3
70.02931	0.8
70.06591	13.0
70.09407	1.3
70.09820	2.7
70.94257	19.6
70.95858	5.9
71.92989	0.7
71.95251	1.1
72.04489	1.0
72.93775	1.1
73.05283	1.0
79.05486	8.7
80.05013	8.0
81.03416	2.6
81.04529	4.4
81.05795	1.9
81.07046	3.9
82.02979	0.9
82.05331	1.1
82.06577	9.1
83.04968	1.3
83.06092	10.6
84.04489	2.6
84.08115	2.3
85.02937	1.0
85.07672	1.0
88.95286	7.4
88.96890	2.9
90.94855	0.8
91.05476	1.9
92.05003	1.9
92.05832	1.3
92.24429	0.8
92.90076	2.2
93.03396	1.8
93.04527	1.9
93.07035	1.6
94.06566	11.0
95.04967	3.0
95.06080	6.0
95.07341	2.5
95.08627	0.8
96.01971	100.0
96.04480	4.9
96.06866	2.6
96.08126	10.2
96.08810	1.1
97.02325	0.9
97.02884	1.0
97.04015	0.8
97.06567	0.8
97.07650	19.0
98.03551	6.2
98.06036	1.2
98.21535	0.8
105.07040	1.0
106.06539	5.6
106.07208	1.0
106.96319	2.6
106.97940	0.8
107.04960	7.5
107.06069	5.9
107.08593	1.9
108.04468	3.0
108.05605	1.1
108.08117	3.9
109.02910	1.4
109.05215	0.8
109.06499	1.8
109.07637	22.5
110.01235	1.0
110.03587	2.3
110.06050	4.8
110.07194	6.0
110.08425	2.0
110.97542	1.0
111.00830	0.8
111.04443	17.6
111.05582	5.1
111.08058	1.1
111.09199	11.2
111.96844	7.0
111.98462	0.8
112.05129	0.9
112.06350	3.7
112.08283	1.3
112.09984	5.2
113.05858	3.6
114.03001	1.0
116.20790	0.7
116.98576	1.0
118.06546	1.0
121.02823	1.2
122.07140	2.1
123.04427	2.9
123.05541	1.5
123.06819	1.4
123.09167	1.5
124.01433	14.1
124.03935	2.6
124.07590	13.6
124.08618	2.8
125.05986	7.1
125.07107	5.1
125.10720	1.8
128.96420	1.3
128.98616	2.5
129.97910	12.1
129.99506	1.5
133.01691	1.1
134.06017	10.7
134.07143	6.2
134.99641	1.2
135.04425	2.1
135.05528	4.0
135.08099	1.4
135.09164	12.1
137.17017	0.8
138.03171	0.7
146.96277	1.0
146.97446	18.4
146.99609	8.7
147.97522	1.0
147.99011	1.1
148.92119	0.9
149.50563	0.7
151.03926	2.4
151.93805	1.0
152.00761	14.3
152.03369	3.7
152.04451	1.9
152.05679	13.3
152.07069	22.9
152.08192	11.8
152.10648	3.1
152.11789	18.7
152.14380	1.5
153.04095	4.2
153.05475	3.8
153.06544	0.9
153.07695	0.9
153.09087	1.6
153.10226	1.4
153.11366	1.8
165.00737	2.4
170.01978	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	151.1481
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
53.03936	1.2
55.01867	1.0
55.05506	6.0
56.96560	3.0
57.03427	1.9
57.07073	6.6
65.03920	1.2
67.05501	29.5
68.05827	0.4
68.93587	0.4
68.94316	0.3
68.95284	0.4
69.03422	2.0
69.07063	11.4
69.36888	0.9
69.37309	2.0
71.04984	1.8
71.08622	2.2
73.02888	0.4
77.00765	0.3
79.05489	15.6
80.08563	0.3
81.03429	0.7
81.07052	100.0
82.06597	0.4
82.07387	2.1
83.04989	2.6
83.08613	2.8
85.02898	0.5
85.06541	1.7
90.01583	0.4
91.02320	0.3
91.05476	13.9
93.07040	6.9
95.04969	3.1
95.08601	69.2
95.92539	0.3
96.08158	0.4
96.08935	1.9
97.06535	0.9
98.01257	0.3
98.21548	0.6
98.97546	0.8
105.02061	0.3
105.07024	10.5
106.06599	0.4
106.07346	0.3
107.01728	0.4
107.04903	0.4
107.06169	0.3
107.08587	7.5
109.05366	0.4
109.06523	5.5
109.10152	25.5
110.01295	0.8
110.07240	0.4
110.10473	0.8
111.07932	0.9
115.05470	0.3
116.48098	0.4
116.98612	0.6
119.01789	1.0
121.10131	0.5
122.07261	0.3
122.10872	0.3
123.04465	0.6
123.08051	2.3
123.11698	3.3
124.03971	0.3
124.07572	1.0
124.08739	0.3
128.02303	1.4
128.98608	0.8
129.01019	0.4
133.06528	0.4
133.10130	10.1
134.05983	0.6
134.99663	0.6
137.02798	0.5
138.06166	0.5
146.97441	1.3
146.99672	0.7
151.02832	0.5
151.03912	1.0
151.07582	2.1
151.09972	0.6
151.11179	19.0
151.14815	5.9
152.01616	0.3
152.07043	2.0
152.11549	0.8
165.00729	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1481
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
50.29621	0.3
51.02372	0.3
53.03938	1.2
53.38272	0.5
53.92902	0.4
55.01865	0.5
55.05508	5.9
55.89218	0.4
56.96566	3.0
57.03434	1.2
57.07073	1.4
62.12868	0.3
63.59768	0.4
65.03934	2.2
67.05499	83.3
68.05831	1.5
68.93572	0.5
68.95274	0.6
69.03431	1.2
69.07063	4.3
69.61199	3.2
70.12215	0.4
71.08624	0.7
72.19057	0.4
72.66802	0.4
73.02904	0.9
75.51787	0.4
77.00797	0.4
79.05494	6.0
80.05013	0.5
80.22878	0.4
81.03403	1.5
81.07050	45.1
82.07394	1.2
83.00772	1.1
83.08618	1.2
85.02909	0.7
91.05471	4.4
92.01281	0.6
93.07036	4.8
94.04192	0.5
94.06555	0.5
95.04970	2.7
95.08598	100.0
96.04493	0.6
96.08187	0.4
96.08929	2.5
97.02867	0.6
98.01297	0.9
98.97581	1.4
105.07025	3.8
106.06563	1.0
107.01810	1.0
107.08578	2.8
108.04441	0.6
109.02849	0.4
109.06490	2.1
109.10146	47.3
110.01285	1.3
110.06028	0.6
110.10493	1.7
111.02055	0.9
111.04378	0.4
116.48159	0.6
116.98616	1.1
119.01795	1.1
119.08543	0.7
120.02564	0.7
121.20814	0.4
123.04446	0.6
123.05528	0.6
123.06783	0.9
123.08067	2.4
123.11683	1.4
124.03948	0.8
124.07599	2.9
128.02278	1.1
128.98601	0.6
129.03075	0.6
130.52553	0.5
133.06480	0.7
133.10130	1.2
134.05991	1.0
134.99661	0.8
136.08730	0.5
137.02869	0.7
139.00540	0.6
139.53136	0.5
146.97371	0.6
146.99628	0.7
151.02792	0.7
151.03893	1.7
151.07516	3.6
151.11191	5.2
151.14799	9.0
152.01538	0.6
152.02489	0.6
152.03476	0.8
152.07063	4.9
158.01149	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1117
Annotation	3-tert-Butylphenol
Peak:m/z	Relative Intensity
51.02385	0.2
51.81785	0.2
53.00309	0.2
53.03938	0.7
55.01875	1.2
55.05509	2.1
55.53628	0.2
55.66046	0.2
56.96329	0.2
56.96562	2.6
57.03442	1.1
57.07072	3.9
59.59061	0.2
65.03936	1.6
66.04710	0.8
67.05504	9.2
68.05016	0.3
68.05819	0.2
69.03424	0.9
69.07066	1.8
69.49923	1.6
71.04993	0.2
73.02900	0.4
78.03439	0.3
79.05492	4.5
80.05007	0.4
80.05806	0.4
80.32156	0.2
81.01036	0.2
81.03415	15.5
81.06584	0.4
81.07054	8.3
82.03738	0.5
82.06575	0.2
82.07368	0.5
83.00795	0.3
83.04974	1.2
83.08594	0.4
85.02906	0.4
85.06541	0.4
90.01576	0.3
91.05476	5.3
92.05800	0.2
93.07037	2.5
94.04183	10.5
94.07361	0.5
95.04968	21.0
95.07668	0.2
95.08601	3.2
96.04502	0.3
96.05234	0.5
97.06526	0.3
98.01295	0.2
98.97586	0.8
102.98619	0.2
103.05460	0.3
105.03409	0.2
105.07024	5.4
106.06541	0.7
106.07293	0.3
107.04953	0.7
107.08599	2.1
108.04506	0.2
108.08930	0.3
109.06512	3.6
109.10153	2.1
110.01272	0.5
110.06026	0.3
110.07178	1.0
111.07935	2.0
116.48156	0.3
116.98624	0.7
119.01839	0.4
123.03490	0.4
123.04437	0.8
123.08071	1.5
123.08911	0.2
123.10877	0.2
123.11710	0.8
124.03891	0.3
124.07597	0.5
128.02301	0.9
128.98613	0.5
130.52611	0.3
133.06461	0.4
133.07510	0.2
133.10135	3.0
134.06059	0.4
134.07062	0.3
134.99678	0.7
136.08865	0.3
137.02879	0.2
139.53114	0.3
146.97345	0.3
146.99640	1.6
151.02856	1.5
151.03999	1.1
151.07561	1.4
151.11174	100.0
152.01665	0.7
152.03419	1.7
152.07059	1.7
152.11517	5.4
165.00754	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1116
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03925	1.3
55.01857	1.6
55.05504	2.7
56.96565	3.5
57.03421	1.4
57.07063	0.8
59.04988	1.0
61.02913	0.6
62.93380	0.4
65.03937	2.5
67.05502	11.8
68.05017	1.6
68.94331	1.0
68.95292	0.5
69.03423	3.2
69.07061	2.4
71.04974	0.8
71.30494	0.4
71.60053	0.5
71.60457	0.6
73.02910	0.7
79.05489	8.7
79.53447	0.4
81.03430	2.1
81.07052	17.5
82.06545	0.7
82.07371	0.5
83.04966	1.3
83.06100	0.8
84.01548	0.4
84.05578	0.4
85.02892	0.9
87.05751	0.4
90.01543	0.7
91.04965	0.6
91.05478	10.5
93.07037	5.7
95.04966	6.0
95.08595	7.6
96.04503	0.4
96.08136	0.6
97.06514	1.3
98.01272	0.9
98.97560	1.2
99.79640	0.5
103.05452	1.1
105.07021	19.0
106.07346	0.9
107.01794	0.9
107.04938	1.3
107.08585	9.0
108.02072	1.6
108.04525	0.4
108.05727	0.9
108.08861	0.5
109.06511	17.8
109.07617	0.9
109.10142	11.2
110.01266	0.9
110.06044	0.5
110.07175	3.1
111.07951	6.1
116.98582	1.0
119.01785	1.5
119.04938	0.4
120.02603	0.4
121.06490	1.0
121.10168	2.7
122.07186	0.7
123.04411	1.1
123.08068	6.4
123.11674	4.7
124.07583	1.5
127.07580	0.5
128.02321	1.1
128.98570	0.7
129.03008	0.5
131.08539	1.0
133.06493	0.5
133.10126	7.8
134.07184	0.6
134.99605	0.4
136.05209	0.5
136.08838	1.9
137.02805	0.8
141.05411	1.1
146.97438	1.8
146.99649	1.2
151.02760	0.7
151.03894	8.5
151.05035	2.8
151.07663	3.5
151.11169	100.0
152.01666	0.7
152.05556	0.5
152.07039	2.6
152.08122	0.7
152.11523	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	151.1117
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03936	1.7
55.01873	2.9
55.05502	2.2
56.05031	0.6
56.96561	3.6
57.03422	1.4
57.07060	1.1
59.04982	1.6
65.03939	4.7
67.05169	0.7
67.05502	11.1
67.34857	0.5
68.05009	1.8
68.58561	0.5
68.93507	0.4
68.94336	1.0
69.03419	1.6
69.04530	0.4
69.07066	2.2
70.06619	0.5
70.89438	0.8
71.01333	0.8
71.04958	0.6
72.39867	0.4
73.02914	0.5
77.03900	0.8
79.05484	7.2
80.04992	0.8
81.03404	1.5
81.07050	17.3
82.06560	1.2
83.06082	0.9
85.02910	0.7
87.05782	1.5
91.04967	0.6
91.05477	9.0
92.04985	1.3
93.03391	0.5
93.07040	5.8
95.04961	7.1
95.08605	5.4
96.08124	1.1
97.06508	1.5
97.07649	0.8
98.97559	1.3
100.94542	0.4
103.05455	1.0
104.47414	0.5
105.07027	15.1
106.06606	0.9
106.07351	1.3
107.04937	3.0
107.08587	6.1
108.02075	4.2
108.05737	1.0
109.05335	0.6
109.06510	15.8
109.07668	1.1
109.09441	0.8
109.10155	10.4
110.01260	1.7
110.06021	4.2
110.07169	3.9
111.04427	1.8
111.07948	7.4
111.08664	0.9
114.81515	0.4
116.69572	0.5
116.98634	0.9
119.01781	0.9
119.04927	1.3
120.04472	1.3
121.06477	1.4
121.10119	2.1
121.52062	0.6
122.06041	0.7
123.04424	2.5
123.08060	7.6
123.11686	3.9
124.03921	0.5
124.07576	3.0
124.08675	1.5
124.09548	0.5
125.05981	0.6
128.02286	1.2
128.98517	0.9
131.08578	1.1
133.06454	1.1
133.10126	4.7
134.05974	1.2
134.06947	1.1
135.04518	0.5
136.01500	0.6
136.08823	2.1
137.02748	0.6
137.04700	0.8
141.05431	3.4
146.97437	3.4
146.99654	0.8
151.02718	1.0
151.03889	18.9
151.05031	4.4
151.07607	4.2
151.11169	100.0
152.04276	1.4
152.05667	1.9
152.07045	6.0
152.08130	0.6
152.11519	4.3
155.77539	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1117
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
52.99191	0.2
53.03936	0.6
54.11416	0.3
54.21051	0.3
54.43035	0.2
55.01856	1.1
55.05507	1.8
55.66191	0.3
56.96568	1.6
57.03412	0.8
57.07065	1.0
59.04984	1.2
65.03932	0.7
67.05167	0.4
67.05499	6.5
68.05020	0.6
69.03431	1.8
69.07066	1.8
71.06519	0.6
73.02901	0.3
79.05486	5.2
81.03404	0.7
81.07054	14.9
82.06579	0.3
82.07365	0.4
83.06088	0.8
91.05482	5.6
92.05808	0.3
93.07035	4.5
94.07841	0.4
95.04951	4.3
95.08596	3.8
96.08096	0.5
97.06528	1.4
97.07666	0.3
98.97584	0.6
103.05436	0.5
105.07026	10.3
105.07742	0.5
106.07334	0.6
107.04922	0.9
107.08582	5.7
108.05722	0.5
109.06511	12.4
109.07637	0.5
109.10149	10.0
109.45846	0.3
110.01280	0.4
110.07130	1.2
111.07944	3.2
119.01774	0.7
120.11040	0.3
121.06492	1.0
121.10117	2.5
123.04382	0.4
123.08055	4.6
123.11691	2.7
124.07584	1.5
128.02330	0.5
128.98561	0.4
131.08545	1.0
133.04729	0.4
133.05603	0.4
133.10126	3.7
134.07072	0.4
136.08824	2.2
146.97435	1.3
146.99608	0.4
151.03903	1.1
151.07567	1.3
151.11169	100.0
152.05586	0.4
152.07053	1.1
152.08179	0.4
152.10468	0.5
152.11536	4.8
163.75735	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1117
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
52.82472	0.4
53.03934	1.3
53.64325	0.5
55.01860	1.9
55.05512	4.0
56.05025	0.6
56.96557	3.9
57.03436	2.2
57.07059	1.5
59.01233	0.4
59.04984	1.5
65.03945	2.2
67.05502	12.9
68.05012	2.0
68.93559	0.5
68.94342	1.1
68.95278	0.6
69.03433	2.6
69.07054	2.1
70.06589	0.7
71.04993	0.8
71.59776	0.8
73.02920	0.7
73.19785	0.6
79.05489	10.0
81.03436	1.1
81.07056	19.9
82.06555	0.8
83.00777	0.7
83.04980	1.8
83.06100	2.3
85.02914	0.6
85.46209	0.5
89.00765	0.6
91.05474	11.0
92.04962	0.5
92.05838	0.6
93.04508	0.8
93.07033	7.1
94.06560	0.6
95.04969	7.3
95.08606	9.2
96.05633	0.5
96.08128	1.3
97.06511	1.8
97.07626	0.6
98.97559	1.3
101.93277	0.4
103.05447	0.7
105.02026	0.7
105.07026	23.5
106.06559	0.9
106.07308	0.8
107.01817	0.5
107.04923	1.7
107.06078	0.6
107.08594	10.0
108.02116	0.8
108.04465	0.9
108.05707	0.8
108.08181	0.5
109.02862	0.8
109.06517	17.9
109.07282	0.9
109.07661	1.1
109.10151	11.6
110.01258	1.0
110.06020	0.8
110.07169	4.6
110.10496	0.8
110.97539	0.7
111.04436	0.6
111.05579	0.6
111.07942	10.6
116.48145	0.6
116.98635	1.5
119.01785	1.8
121.06495	1.2
121.10141	1.5
122.07233	0.8
123.04417	1.3
123.06742	0.6
123.08072	8.3
123.11682	4.9
124.07648	2.4
124.08678	1.7
124.09524	0.6
127.03936	0.6
128.02321	2.1
128.98587	1.4
129.03137	0.9
130.35941	0.5
131.08548	1.4
133.06523	1.1
133.10127	9.3
134.06010	1.0
134.07097	1.2
134.99597	0.7
136.08824	1.9
137.02797	0.8
141.05469	1.3
146.97453	4.1
146.99660	1.8
151.02850	0.5
151.03889	8.5
151.05037	2.4
151.07610	5.2
151.09866	5.3
151.11171	100.0
152.01645	0.8
152.05702	1.3
152.07059	3.9
152.08154	1.0
152.11542	5.1
152.74344	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0752
Annotation	3,5-Dimethyl-4-hydroxy benzaldehyde
Peak:m/z	Relative Intensity
53.03944	4.3
55.01874	4.4
55.05507	8.4
56.96561	24.2
57.03437	5.3
57.07070	3.1
61.02925	2.3
61.96452	0.7
63.91459	0.6
65.03936	3.0
67.05499	44.4
67.93592	0.8
68.05019	1.8
68.05848	1.0
68.93568	2.2
68.94334	2.6
68.95287	2.1
68.96311	0.8
69.03432	7.4
69.07063	4.4
71.04973	1.8
71.08626	1.1
71.40336	1.5
73.02880	4.0
74.97604	2.3
77.03917	1.0
78.00331	0.7
79.05486	25.1
79.05958	1.2
80.04999	0.9
80.05807	1.1
80.06271	1.1
81.02989	0.8
81.03416	4.8
81.07050	73.9
82.06585	1.0
82.07381	1.1
83.00784	2.2
83.04966	3.6
83.06105	0.6
83.08618	1.8
85.02890	4.0
85.06551	0.8
85.27789	0.8
89.00764	1.2
90.01550	2.3
91.05478	16.1
92.01304	1.3
93.07042	14.9
94.06609	0.9
95.04958	13.4
95.08600	58.9
96.01542	1.2
96.08113	0.8
96.08923	1.4
97.02881	2.6
97.06499	0.9
98.01270	4.0
98.97581	6.5
99.02064	1.7
101.00760	1.2
101.52338	0.9
103.05451	2.3
104.01264	1.7
105.07021	26.4
106.01127	1.0
106.06567	0.9
106.07333	1.0
107.01803	3.0
107.04945	9.9
107.08578	10.3
107.47606	1.0
108.05730	10.2
109.02869	1.4
109.06512	12.3
109.10139	18.2
110.01270	5.3
110.06037	1.2
110.07136	2.2
110.97554	1.9
111.07941	4.6
116.00222	1.3
116.03045	0.8
116.48177	1.5
116.98621	5.2
119.01790	9.1
119.52052	1.0
120.02554	0.8
121.02831	1.1
121.06506	7.1
121.10133	0.9
121.52043	1.2
122.07281	21.5
123.04457	2.0
123.08059	100.0
123.11683	4.5
124.03955	0.8
124.07578	4.2
124.08433	3.1
125.48682	1.3
128.02315	11.0
128.98596	5.7
130.52550	1.3
133.06479	12.9
133.10126	11.9
134.06023	1.3
134.99619	4.4
136.08882	0.8
137.02788	5.3
137.52969	0.7
139.53104	1.5
146.97411	6.0
146.99640	8.6
147.49776	0.9
148.53571	1.0
151.02853	1.1
151.03900	3.4
151.07533	55.7
151.09778	3.1
151.11150	24.6
151.12137	0.6
151.14781	2.7
151.84837	0.8
152.01575	1.2
152.03445	1.3
152.06952	5.5
152.08076	1.2
165.00760	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.5
53.94001	1.1
55.01864	3.3
55.05490	2.0
56.96563	100.0
57.03181	1.5
57.03435	20.1
60.95853	1.5
61.02638	1.3
61.02931	13.9
65.03940	1.7
67.05496	4.7
67.93559	3.0
68.00258	2.2
68.05044	1.8
68.45323	1.8
68.93588	6.6
68.94333	4.1
68.95284	11.4
68.96333	3.1
68.98271	1.4
69.03114	1.3
69.03425	13.5
69.59460	6.4
71.95261	3.2
73.02541	1.8
73.02916	17.6
74.00256	2.5
74.97616	5.0
75.01051	2.0
75.04476	2.9
76.00005	1.4
77.00785	12.9
79.05491	3.3
79.51024	1.2
80.00235	1.2
81.01037	1.5
81.03415	9.1
81.07059	5.7
82.06551	1.6
83.00783	13.2
83.04984	2.3
84.01543	3.1
84.96033	4.6
85.02901	13.2
86.01307	3.4
86.03696	2.7
88.51555	2.8
89.00783	12.1
90.01556	12.1
91.00494	2.2
91.02345	1.4
91.05466	4.8
92.01300	9.1
92.51808	1.2
93.07022	1.6
94.51542	2.5
95.00726	2.8
95.04986	3.1
95.08605	2.5
96.01550	14.1
97.00531	1.3
97.02327	1.7
97.02887	6.9
97.96768	3.0
97.99174	5.4
98.01292	23.4
98.21499	1.3
98.97578	44.7
99.02098	6.3
99.04462	2.5
100.02472	1.6
100.51552	2.4
101.00758	4.4
101.02602	1.4
101.52336	3.5
102.01506	5.5
102.53115	1.3
103.02324	1.4
103.52058	3.0
104.01309	7.2
105.00376	1.1
105.02066	8.1
105.07031	4.2
106.01006	2.2
106.06602	1.4
107.01810	20.9
107.04978	1.2
107.08557	1.6
107.47623	2.4
107.52335	3.1
109.02882	5.0
109.06508	3.0
109.10222	1.8
109.52098	5.4
110.01276	30.6
110.02041	1.5
110.07178	2.4
110.51478	2.1
110.52892	2.3
110.97562	9.5
111.02068	12.9
111.07927	5.2
111.51835	1.5
112.99168	1.8
113.01804	2.7
114.02548	1.4
115.52088	2.1
115.97870	1.7
116.00202	4.2
116.02386	2.5
116.03122	2.0
116.48164	8.8
116.52828	3.8
116.98615	37.8
117.53627	1.3
118.03548	1.5
118.52603	3.2
118.98391	1.2
119.01797	50.5
119.51981	3.2
120.02576	18.6
121.02847	1.2
121.52058	8.8
122.52843	2.8
123.04439	1.6
123.08089	2.9
124.07589	2.2
125.01721	1.1
125.05428	1.4
125.48690	3.5
127.03915	3.1
127.52087	1.1
127.98949	1.5
128.02316	49.3
128.52525	3.7
128.98610	24.1
129.03107	25.8
130.52565	10.0
131.00157	2.8
131.53325	3.7
133.98859	1.4
134.06032	2.4
134.96083	1.5
134.99649	21.3
136.54408	2.6
136.99464	1.3
137.02824	21.6
137.03831	2.0
137.53171	1.2
138.03612	4.4
139.53102	11.2
140.00215	6.2
140.03319	1.4
140.53889	3.9
140.98569	2.1
141.95177	1.5
142.96756	2.6
143.00180	1.7
143.96622	2.6
146.97464	5.8
146.99640	33.8
148.53644	3.7
149.01244	1.9
151.02867	1.3
151.03905	5.9
151.04994	1.9
151.06142	1.3
151.07504	4.6
151.08681	2.1
151.09790	3.5
151.11145	3.8
152.00185	2.8
152.07069	4.4
152.97165	1.9
153.00734	3.3
158.01212	5.9
158.99664	4.6
161.01224	3.0
162.99104	2.4
165.00716	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	150.0774
Annotation	3-Methyladenine
Peak:m/z	Relative Intensity
50.20836	0.1
53.03934	0.2
55.02974	0.3
56.05034	7.0
57.03436	0.1
57.04543	0.5
61.01147	4.3
67.05492	0.6
68.05016	0.3
69.03417	0.3
70.24563	0.6
74.02439	0.7
74.06066	0.6
77.03965	0.1
77.84750	0.1
81.04511	0.1
82.04070	0.7
84.04482	0.2
85.02882	0.2
86.06067	2.3
86.99324	0.1
87.02682	1.1
92.02512	0.2
92.69277	0.1
94.04044	1.6
94.06557	1.4
96.04485	0.1
96.05597	0.3
97.04719	0.1
102.01891	0.1
102.05543	1.3
104.05331	3.1
104.07111	1.5
105.00381	0.2
105.06953	0.1
106.04033	0.2
106.06538	0.4
107.04955	0.5
108.04382	0.2
108.05609	0.7
109.05118	4.0
110.05582	0.1
112.05110	0.3
114.05524	0.2
115.02412	0.4
119.01907	0.2
119.03524	0.8
122.06049	0.8
123.06699	0.8
124.05080	0.2
125.08430	0.1
132.06561	0.3
133.03215	2.5
133.05090	5.3
134.04628	0.3
135.05379	0.8
137.04553	0.5
145.03462	0.9
148.06165	0.2
150.07742	100.0
151.08197	2.2
163.04549	0.2
168.06566	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0387
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
51.02370	0.8
51.94054	0.4
52.03150	1.1
53.00288	0.5
53.03942	3.5
54.03450	0.3
55.01865	7.0
55.05484	1.5
56.05017	1.0
56.96556	6.6
57.03428	2.0
59.06102	0.6
61.02903	0.6
65.03932	16.5
66.04256	0.4
67.05498	18.7
68.05021	3.6
68.05815	0.8
68.94334	1.3
68.95254	0.5
68.96311	0.7
68.99764	1.2
69.03414	1.4
69.04546	0.5
69.07056	0.8
70.06578	1.1
70.99561	1.2
71.01336	1.1
71.82774	0.4
72.93764	0.5
73.02896	1.6
74.04829	0.6
77.00765	0.5
77.03925	2.2
79.05481	4.8
80.02620	1.4
80.05000	1.1
81.03385	1.8
81.07046	6.6
82.06549	1.1
83.04959	0.6
83.06105	2.6
84.02108	0.8
84.05595	0.6
85.02889	2.4
90.01553	0.6
91.04984	0.5
91.05483	6.7
92.01293	0.7
92.04969	0.7
93.03394	1.1
93.04504	0.6
93.07034	3.1
94.04145	0.5
94.06556	0.7
95.01314	1.0
95.04957	15.5
95.06056	1.2
95.08606	5.6
96.01556	0.5
96.04459	0.6
96.08111	1.2
97.07626	1.5
98.01296	0.7
98.03643	0.4
98.97566	2.0
103.05453	0.7
103.19172	0.4
104.01299	0.7
105.03365	1.0
105.04500	1.5
105.07025	7.0
106.06508	0.5
107.01811	0.6
107.04948	2.7
107.06061	0.9
107.08555	2.5
108.02086	22.9
108.04478	0.5
108.05701	0.7
109.02888	3.5
109.06512	4.5
109.07629	1.8
109.10130	2.3
109.56237	0.4
110.01243	1.6
110.06046	0.9
110.07150	7.4
110.97541	0.5
111.04430	5.0
111.05530	0.6
111.07941	16.4
111.09155	0.7
112.01566	1.3
116.98613	2.1
119.01807	2.9
119.04913	1.8
120.02553	0.4
120.04443	1.1
121.02863	0.4
121.03961	1.2
122.07185	0.5
123.04399	3.1
123.06773	0.5
123.08058	4.6
123.08996	0.6
123.11699	1.2
124.03929	0.5
124.04869	0.4
124.07678	2.2
124.08652	2.1
124.09473	0.5
127.03859	0.7
128.02318	2.5
128.98616	0.8
130.52562	0.6
133.02846	0.5
133.06506	0.8
133.10118	2.8
134.05986	1.6
134.07066	1.6
134.99632	1.5
136.01552	2.2
136.05200	0.6
136.08769	0.6
137.02795	1.5
139.53062	0.5
141.05450	23.4
142.05815	0.8
146.97426	4.8
146.99638	1.9
151.03877	100.0
151.05017	32.5
151.07436	5.6
151.08589	1.0
151.09756	7.2
151.11147	9.8
152.01656	0.9
152.04353	3.1
152.05573	1.5
152.07042	5.8
152.08148	0.7
152.11769	0.7
152.14313	0.4
153.04010	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0775
Annotation	9-Methyladenine
Peak:m/z	Relative Intensity
50.05056	0.2
51.92625	0.1
53.03939	1.3
55.01862	0.4
55.02983	0.2
55.05495	0.4
56.05033	20.8
56.96336	0.2
56.96565	1.7
57.03418	0.6
57.04548	0.5
57.05363	0.3
58.06581	0.5
58.88255	0.2
58.99582	0.3
58.99848	0.2
59.07355	0.2
60.04521	0.3
61.01149	15.0
65.03943	1.5
66.04258	0.5
67.05503	7.6
68.05036	0.3
68.99783	0.4
69.03399	0.5
70.06567	0.3
71.04991	0.3
71.49344	0.3
73.02912	0.3
74.02440	1.7
74.06078	1.5
77.00919	0.2
79.05486	1.4
81.03394	0.7
81.04517	0.3
82.04044	0.7
82.48416	0.2
84.04481	0.7
84.08149	0.9
85.02908	1.0
86.06050	0.3
87.02690	2.9
89.00848	0.2
91.05468	0.2
92.02482	0.7
93.05788	0.4
94.04072	1.2
94.06564	18.7
95.04949	1.1
95.06873	0.3
96.04481	0.5
96.05618	0.4
97.02863	0.3
98.97556	0.4
99.04449	0.8
100.00994	0.2
100.02477	0.4
101.00861	0.5
102.05537	3.3
103.02439	0.3
104.05326	9.8
104.07076	0.4
105.00335	0.5
105.02058	0.2
105.03695	0.3
105.07009	0.5
106.04035	0.6
106.06548	4.7
107.04945	0.5
108.04443	0.4
108.05633	1.3
109.02909	0.2
109.04386	0.3
109.05128	4.3
109.07637	0.4
110.08403	0.4
110.48859	0.2
111.02925	0.6
112.05058	0.2
113.00895	0.2
114.05447	0.2
115.02424	1.4
116.98610	0.4
118.03502	0.2
119.01900	1.8
119.03496	0.9
119.39015	0.1
120.03431	0.2
121.05090	0.3
122.03188	0.8
122.06027	9.9
122.06835	0.5
123.01316	0.2
123.04393	0.2
123.06588	0.7
123.07939	0.7
123.09174	0.5
124.05039	0.5
129.03896	0.2
130.94868	0.2
131.01906	1.5
132.05263	0.2
132.06578	0.4
133.03214	7.3
133.05086	10.6
134.04555	0.2
134.05492	0.2
135.05382	0.9
137.02930	0.6
137.04575	0.5
143.01909	0.3
145.03453	3.7
146.11258	0.2
146.99614	0.3
147.04987	0.3
148.03911	0.3
148.06171	0.2
149.02957	0.2
150.02826	1.9
150.05586	16.9
150.07739	100.0
151.03848	0.2
151.06020	1.0
151.08130	2.1
155.01906	0.5
156.05109	0.2
157.03453	0.3
161.02960	0.5
163.04517	0.7
168.05150	0.2
168.06544	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	150.0584
Annotation	Methionine
Peak:m/z	Relative Intensity
53.03939	2.0
55.01883	0.5
56.00884	0.5
56.05035	61.2
56.96564	1.2
57.03432	0.8
57.04559	0.5
57.05360	0.7
57.42193	0.5
61.01152	39.5
65.03940	1.4
67.05504	6.0
68.98282	0.4
71.09570	0.9
71.09904	0.6
73.02898	0.5
74.02444	4.5
74.06075	3.9
74.99058	0.6
75.02705	0.8
79.05482	0.9
81.03392	0.6
82.04070	0.9
84.04522	1.6
84.08168	0.6
85.02897	2.4
87.02697	7.8
90.13045	0.4
91.05467	0.4
92.02472	0.5
94.04052	1.9
94.06565	15.5
95.04972	0.7
98.97599	0.8
99.04475	0.7
102.05544	10.1
104.05328	23.6
105.00076	0.6
105.07014	0.5
106.06557	3.4
108.04462	0.6
108.05611	1.2
109.05119	5.3
115.02417	0.9
119.01911	1.3
119.03596	0.8
122.06036	6.8
123.06627	1.5
131.01921	1.4
133.03188	18.9
133.05077	10.3
134.03511	0.5
135.05484	0.5
145.03444	1.8
150.02742	1.3
150.05640	13.6
150.07744	100.0
151.06059	1.0
151.08046	1.7
155.01953	0.5
157.03381	0.7
163.04523	0.5
168.06557	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	150.0549
Annotation	5-Hydroxyoxindole
Peak:m/z	Relative Intensity
53.03936	5.9
54.03463	0.7
55.01862	2.1
56.05029	3.0
56.96561	16.9
57.03437	1.0
57.07059	0.7
58.06588	1.0
59.07380	0.6
60.04511	0.5
61.01141	0.6
65.03933	8.1
66.04255	0.9
67.05498	39.3
68.05031	3.1
68.05813	0.6
69.03413	0.7
69.07052	0.8
70.06599	1.0
70.15221	1.4
70.15627	0.9
72.04520	0.5
72.93780	5.7
73.02913	0.9
74.02436	2.9
76.03981	0.6
77.03927	0.6
79.05486	6.9
80.05004	1.2
81.03413	2.0
81.04523	0.8
81.07040	1.1
82.06576	1.4
83.06113	0.8
84.04481	0.4
84.08124	1.7
84.95989	0.5
85.02894	0.8
86.06058	1.9
88.03934	0.4
88.07640	0.5
89.94001	0.4
90.90363	2.6
90.94807	4.1
91.05470	1.6
91.52113	0.5
92.04988	0.7
93.05787	2.0
93.07047	0.5
94.06559	92.5
95.04968	9.5
95.06082	2.0
95.06845	2.8
95.08604	1.1
96.04487	2.1
96.08108	0.8
98.20852	0.6
98.97593	0.7
102.01923	0.7
104.04993	1.0
104.07090	1.8
105.04501	0.7
105.07041	1.6
106.06544	26.2
107.04933	0.8
107.06102	1.1
107.06841	0.6
107.08572	0.7
108.04442	0.8
108.08168	0.6
108.08931	0.5
108.95869	1.6
109.02863	0.6
109.05236	0.7
109.06483	0.8
109.07640	6.3
110.07189	0.5
110.08422	7.7
111.07961	0.8
112.02785	0.7
113.05970	0.6
113.96352	0.6
116.98611	0.7
121.03390	0.6
122.03181	2.1
122.06020	48.9
123.04423	1.2
123.05551	1.0
123.06370	1.7
123.08015	2.2
123.09161	4.8
123.11633	0.5
126.59425	0.6
128.02342	1.1
132.04436	1.3
132.05307	0.6
132.06560	1.1
132.95799	0.5
133.05000	0.6
133.06537	0.8
133.07544	2.1
145.03415	0.6
148.03905	1.6
149.93987	1.1
150.02834	5.3
150.05490	100.0
150.07692	5.4
150.09088	2.3
150.10213	10.7
150.96870	2.3
151.03949	2.7
151.05908	3.6
151.07451	1.2
151.08614	1.0
151.09760	0.7
151.11095	0.7
152.07086	0.5
153.36800	0.4
159.03302	1.0
161.01125	0.5
161.04877	1.6
164.02193	0.8
167.97157	0.8
168.06540	23.0
169.06857	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1324
Annotation	Hormodirene
Peak:m/z	Relative Intensity
51.84316	1.0
53.03931	3.9
55.01856	3.2
55.05507	7.6
56.96554	3.5
65.03935	60.0
66.04238	1.3
67.05500	17.3
67.93564	2.8
69.07061	10.4
69.96645	4.5
74.86683	1.0
79.05484	32.4
81.07051	43.2
82.07395	0.9
83.08595	3.2
91.05472	17.4
93.02830	1.3
93.03394	12.6
93.07039	47.0
94.06573	0.9
94.07348	1.4
95.04956	7.8
95.08603	7.9
98.03667	3.2
103.05442	4.7
105.07005	5.4
107.04939	5.9
107.07852	1.9
107.08585	36.2
108.08888	1.6
109.06485	2.4
111.04440	13.9
119.08589	1.4
121.02857	64.4
121.03954	12.6
121.06493	4.2
121.10143	12.7
122.03185	3.1
131.04889	3.6
131.08588	1.6
140.95078	1.1
149.02333	100.0
149.05968	4.2
149.07077	2.1
149.08438	1.4
149.09596	7.1
149.13232	19.6
150.02698	6.1
150.03746	1.8
150.05516	2.4
150.07721	2.8
150.09077	2.3
150.10202	6.0
167.03360	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	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
52.43119	0.7
53.00308	0.9
53.03937	4.4
55.01871	4.9
55.05510	7.1
56.96326	0.6
56.96562	5.3
65.03937	64.0
66.04258	2.0
67.05502	29.0
67.24005	0.8
67.93568	4.6
68.05832	0.8
68.99773	0.9
69.03415	1.1
69.06710	1.2
69.07064	12.2
70.07449	0.6
71.40290	1.5
76.07660	0.8
79.05491	32.8
80.05824	1.1
81.03432	1.2
81.04536	1.8
81.07053	45.3
82.07390	1.4
83.08617	4.1
83.83521	0.8
86.75446	0.8
91.05476	18.8
92.05821	1.3
93.03402	14.9
93.07038	52.7
94.06569	2.2
94.07372	1.3
95.04966	7.3
95.06108	0.8
95.08598	7.4
98.03671	2.9
103.04870	0.8
103.05437	4.2
105.03368	0.9
105.04505	2.2
105.07037	9.9
106.06561	1.1
107.04953	5.1
107.07334	3.5
107.08587	39.9
108.04510	1.6
108.05576	0.9
108.08894	1.3
109.06493	2.4
110.08395	0.9
111.03830	1.4
111.04456	14.7
119.00153	0.8
119.06033	0.9
119.08573	2.1
121.02859	65.6
121.03965	13.1
121.06487	6.0
121.10139	13.1
122.03178	4.0
122.06113	1.6
122.07137	4.4
123.08022	1.7
124.04582	0.7
131.04921	4.8
131.08569	1.9
133.35767	0.8
137.01233	1.1
140.13319	0.8
140.95148	1.6
144.98135	1.3
147.11757	0.8
149.02336	100.0
149.05965	6.5
149.07024	1.4
149.08241	2.7
149.09601	9.1
149.13243	19.6
149.14357	1.4
150.02705	6.9
150.03758	1.4
150.05505	3.7
150.06598	1.2
150.07748	3.0
150.09132	3.4
150.10214	2.4
150.13611	1.7
167.03375	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1322
Annotation	Hormodirene
Peak:m/z	Relative Intensity
51.02364	0.7
53.03941	6.3
54.03489	0.7
55.01867	9.9
55.05507	11.0
56.05030	1.0
56.96560	4.0
57.07073	0.9
60.95835	1.5
65.03934	59.2
66.04274	2.2
67.05497	29.0
67.93543	1.8
68.05032	0.7
69.03457	0.8
69.07059	20.0
69.34843	7.1
70.07393	1.0
72.93793	0.6
79.05485	55.4
80.05005	1.8
80.05817	2.0
80.46039	0.6
81.03410	1.7
81.04536	2.0
81.07048	74.7
82.07375	2.5
83.08598	3.9
89.41836	0.6
91.05464	31.0
92.05805	1.6
93.03397	14.1
93.07034	94.2
94.06549	2.0
94.07368	3.2
95.04958	12.1
95.06062	1.3
95.08588	14.3
96.04514	1.2
98.03669	3.6
98.20733	1.4
103.05462	11.1
105.03400	1.7
105.04518	2.1
105.07027	12.2
106.06593	0.8
107.04951	6.3
107.08585	65.5
108.04468	1.6
108.08234	1.0
108.08936	2.6
109.06505	2.7
109.07620	1.5
110.08395	4.3
111.03712	1.0
111.04440	15.7
112.04804	0.8
116.06239	0.9
119.06078	0.8
119.08577	3.0
120.04382	0.8
121.02863	61.5
121.03967	13.5
121.06487	8.2
121.10126	24.2
122.03191	3.0
122.04230	0.9
122.06033	2.3
122.07145	4.7
122.10438	1.7
122.17773	0.7
123.08047	1.2
131.04897	10.1
131.08566	2.4
132.04439	1.0
132.05342	1.1
132.06606	0.8
135.06779	0.7
140.08215	1.1
144.98103	0.7
147.11684	1.3
149.02333	100.0
149.03299	3.9
149.05927	8.1
149.07120	1.3
149.08229	4.0
149.09613	13.5
149.13242	38.8
150.02664	6.8
150.03709	1.3
150.05453	4.3
150.06572	1.6
150.07713	4.2
150.09099	2.2
150.10208	3.0
150.13614	2.8
167.03397	2.6
169.03529	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03951	4.0
55.01881	6.2
55.05302	0.7
55.05511	8.3
56.16661	0.7
56.96556	1.5
65.03942	75.6
66.04269	2.7
67.05177	1.1
67.05505	16.3
69.03422	0.9
69.07061	10.8
71.39796	1.5
79.05495	34.9
81.03433	1.1
81.07056	46.0
82.07376	1.1
83.08614	2.7
91.05478	16.5
93.03409	17.2
93.07045	48.1
94.07392	1.8
95.04956	7.4
95.08611	8.0
98.03685	3.9
103.05479	7.4
105.04498	1.1
105.07020	6.9
107.04965	6.6
107.08598	36.6
108.08913	1.3
109.06487	1.9
111.04452	16.3
119.08582	1.7
121.02866	69.2
121.03972	15.9
121.06504	3.1
121.10150	10.9
122.03204	3.8
126.05552	1.0
131.04890	6.6
132.96416	0.8
149.02345	100.0
149.05968	3.5
149.08562	0.8
149.09627	5.1
149.13264	16.0
150.02711	6.2
150.13654	1.0
167.03452	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	149.1325
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03934	7.4
55.01860	6.0
55.05505	14.4
55.56041	1.9
56.96550	5.1
65.03936	59.9
66.04236	2.9
67.05502	40.2
67.93555	4.8
69.07066	26.9
69.87948	8.3
79.05486	71.3
80.05796	3.3
81.07051	96.1
83.08607	7.9
87.23740	1.9
91.04948	2.9
91.05478	27.3
93.03397	16.2
93.07034	97.2
94.07372	2.9
95.04953	11.3
95.08599	18.3
98.03679	2.4
103.05509	2.6
105.07042	13.8
107.04948	14.5
107.08588	78.0
108.08870	3.2
109.06496	3.0
111.04436	20.2
112.04809	2.3
121.01981	3.6
121.02857	61.2
121.03962	13.8
121.06454	2.4
121.10128	24.5
122.03204	3.6
131.04890	3.5
131.08527	2.6
149.02332	100.0
149.03305	3.7
149.06026	3.5
149.09616	11.7
149.13243	46.1
150.02664	7.7
150.05521	3.2
150.07809	2.9
150.09097	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	149.1324
Annotation	Hormodirene
Peak:m/z	Relative Intensity
52.50045	1.0
53.03927	3.1
55.01859	4.0
55.05507	6.2
56.96548	1.4
63.58614	1.3
65.03940	51.8
66.04250	2.6
67.05503	10.6
67.93551	2.5
69.07076	7.9
70.10075	4.5
71.52977	1.2
73.33603	1.2
79.05492	33.8
80.86183	1.0
81.07052	23.0
83.08607	2.3
91.05482	15.4
93.03387	11.6
93.07040	42.5
94.06509	1.0
94.07361	1.3
95.04962	5.0
95.08601	5.8
98.03670	1.8
103.05448	2.8
104.74419	1.3
105.03385	2.7
105.04507	1.1
105.07027	7.6
106.07326	1.5
107.04956	3.8
107.08590	32.1
108.04484	1.5
108.08908	1.3
109.06529	1.8
111.04429	12.3
119.08620	1.4
121.02862	54.5
121.03969	13.2
121.06487	2.6
121.10135	12.8
122.03208	3.1
122.05992	1.1
131.02396	1.2
131.04950	2.3
131.08624	1.3
149.02341	100.0
149.06009	2.9
149.09627	7.8
149.13254	18.1
150.02711	5.5
150.03688	1.5
150.05519	3.0
150.07724	2.5
150.09201	1.5
150.10268	5.5
150.13626	1.1
167.03395	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	149.1324
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03934	4.4
55.01866	2.9
55.05515	6.2
65.03935	56.4
66.04255	2.4
67.05499	16.3
67.93555	1.3
68.05289	1.1
69.07057	8.5
70.29420	3.4
70.83544	1.1
79.05487	30.5
80.05807	1.1
81.03429	1.2
81.07050	39.5
82.07385	1.3
83.08627	1.8
91.05471	15.8
93.03397	13.8
93.07039	44.4
94.07377	1.7
95.04946	7.4
95.08603	7.9
96.34643	1.0
98.03673	2.5
98.66055	1.0
103.05479	5.5
105.03393	3.0
105.07034	5.6
107.04955	10.6
107.08585	33.6
108.04472	1.8
111.04442	11.8
119.04949	1.5
120.05725	1.8
121.02859	57.1
121.03965	13.9
121.06492	5.1
121.10122	12.8
122.03188	4.0
122.06019	2.6
122.06862	1.2
126.05522	1.3
131.04913	2.8
131.08548	1.5
149.02335	100.0
149.05988	2.5
149.07053	1.8
149.09610	9.9
149.13245	18.5
150.02682	6.3
150.03728	1.5
150.05513	3.2
150.07762	2.6
167.03407	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	149.1325
Annotation	Hormodirene
Peak:m/z	Relative Intensity
51.02364	1.1
53.03940	6.8
55.01867	5.3
55.05507	13.9
56.96560	2.1
57.01249	0.8
57.03431	1.1
57.07050	1.6
65.03937	40.3
66.04247	1.0
67.05499	36.7
67.93549	0.9
68.05830	1.0
69.07064	21.1
69.52143	6.7
75.86379	0.8
77.03919	1.0
79.05485	76.4
80.04999	0.9
80.05814	2.1
81.03414	4.5
81.07050	87.7
82.07379	2.2
83.08611	5.2
91.05474	40.6
92.05774	2.1
92.06264	2.2
93.03410	8.0
93.07034	100.0
94.06568	0.9
94.07369	3.6
95.04964	12.4
95.08603	16.1
98.03667	1.4
103.05465	4.3
105.03358	1.1
105.04517	2.8
105.07021	12.5
107.04945	71.1
107.08583	76.5
108.04575	1.2
108.05284	3.7
108.08904	3.5
109.06499	3.4
111.04446	8.9
116.06226	1.3
119.04913	2.3
119.08575	2.2
120.05726	12.0
121.02853	37.5
121.03959	7.8
121.06560	4.7
121.10126	22.5
122.03217	1.4
122.06068	1.2
122.07125	1.6
122.09620	0.9
122.10444	1.0
131.04913	3.1
131.08566	1.5
133.07628	0.9
147.11734	1.4
149.02335	68.8
149.05959	3.5
149.07034	1.1
149.08401	1.3
149.09607	30.9
149.13242	44.3
150.02669	4.8
150.03726	1.3
150.05498	2.2
150.06616	1.1
150.07764	2.7
150.09004	1.6
150.10085	1.6
150.13606	3.0
153.91685	0.9
167.03401	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03928	5.6
55.01856	6.0
55.05512	9.8
56.96549	4.1
57.07066	1.5
65.03941	54.9
66.04272	2.1
67.05503	7.4
67.09016	1.2
67.93561	3.3
69.06721	1.6
69.07067	17.3
70.72784	3.7
70.73128	1.6
78.26238	1.3
79.05057	1.9
79.05494	31.0
81.07057	20.4
83.08612	2.4
91.05476	37.8
92.05795	1.5
93.03404	12.2
93.07043	66.5
94.06563	2.0
94.07367	2.3
95.04948	9.6
95.08605	3.9
98.03667	1.8
98.40179	1.3
100.02497	4.4
103.05492	8.0
105.03390	1.6
105.04531	1.4
105.07026	29.2
107.04930	4.2
107.08595	67.9
108.04518	1.4
108.08939	3.0
109.06503	4.9
111.04459	15.0
118.03523	3.7
119.06017	1.5
119.08582	7.1
120.09316	1.8
121.02864	65.7
121.03960	12.1
121.06486	4.6
121.10142	46.4
121.11020	1.8
122.03196	4.0
122.07143	1.3
122.10519	1.7
122.45658	1.2
123.08067	5.0
131.04930	4.5
131.08575	1.5
133.02840	1.5
133.10104	1.6
134.10892	2.2
135.04437	1.8
149.02344	100.0
149.06007	4.8
149.08350	2.7
149.09601	8.1
149.13252	19.5
150.02676	7.4
150.05534	1.8
150.07791	1.9
150.09071	2.1
150.75131	1.4
163.03899	9.9
167.03369	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1324
Annotation	Hormodirene
Peak:m/z	Relative Intensity
50.68295	1.1
51.02376	1.4
53.03938	5.7
55.01871	6.8
55.05301	1.2
55.05508	13.9
56.96552	2.0
58.47448	1.2
59.99092	3.7
65.03939	38.8
66.04269	1.8
67.05170	2.1
67.05504	32.2
67.67709	1.2
69.06714	1.7
69.07069	21.8
70.38660	5.4
74.50703	1.3
77.03894	1.3
79.05489	67.7
80.05824	1.7
81.03374	3.1
81.07051	90.4
82.07369	1.9
83.08607	4.1
84.25668	1.4
88.02214	10.0
91.05470	36.7
93.03387	11.2
93.07037	100.0
94.07384	3.7
95.04956	13.2
95.08588	12.2
98.03638	2.7
103.05467	4.0
105.04504	2.5
105.07023	13.1
107.04946	40.4
107.08588	66.4
108.04505	1.7
108.05255	1.4
108.08914	2.4
109.06526	3.5
111.04462	8.2
116.05315	5.1
116.06148	1.3
119.04939	2.5
119.08556	3.4
119.82973	1.4
120.05730	7.6
121.02860	45.5
121.03957	9.4
121.06497	6.4
121.10131	23.2
122.03186	3.5
126.05461	1.3
131.04936	3.9
131.08580	2.6
134.07257	1.3
149.02339	72.5
149.03360	2.6
149.06039	2.6
149.09618	33.1
149.13254	41.3
150.02701	3.6
150.05528	2.8
150.07729	3.2
150.08961	1.4
150.10100	1.6
150.13580	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	149.1324
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03930	5.1
53.22190	1.1
53.47806	1.1
54.52475	1.1
55.01860	3.8
55.05505	10.7
56.96542	3.7
59.14063	1.2
65.03933	68.0
67.05170	1.9
67.05502	29.0
67.93559	3.0
69.03400	1.3
69.07065	14.9
70.32710	3.5
73.27533	1.2
77.49208	1.2
79.05487	50.7
81.07050	64.1
83.08624	3.7
91.05476	57.5
92.05803	2.8
93.03405	12.1
93.07034	77.0
94.06501	1.5
94.07370	3.7
95.04952	12.8
95.08596	12.3
98.03659	2.5
98.20774	1.4
103.05480	6.2
105.04498	1.8
105.07012	6.8
107.04945	4.2
107.08588	51.9
108.08934	2.7
109.06507	11.3
111.03815	1.5
111.04459	15.9
119.06063	3.3
119.08513	1.4
121.02856	67.2
121.03957	15.2
121.06490	3.8
121.10133	12.9
122.03213	4.0
131.04933	3.7
131.08524	2.4
149.02335	100.0
149.06015	7.6
149.09613	9.9
149.13242	28.2
150.02643	7.7
150.05457	2.4
150.07782	2.1
150.09094	1.7
150.10208	2.7
150.13596	1.7
159.67444	1.1
167.03403	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.096
Annotation	5,6,7,8-Tetrahydro-2-naphthol
Peak:m/z	Relative Intensity
51.02370	0.6
53.03941	3.7
55.01870	5.2
55.05511	5.0
56.96559	1.3
64.09042	0.5
64.23509	0.5
65.03935	23.7
67.05501	3.7
67.93561	1.1
69.03423	1.1
69.07056	1.6
69.62482	4.3
77.03922	0.7
79.05488	21.1
80.05830	0.7
81.03415	5.9
81.07058	6.8
83.08652	0.8
91.05476	22.7
92.06255	2.6
93.03398	5.3
93.07037	14.3
94.07361	0.9
95.04960	7.6
95.08591	1.0
98.03666	1.6
103.05463	2.7
105.03394	1.1
105.04486	0.9
105.07037	4.0
106.06533	0.6
107.04948	100.0
107.08588	7.1
108.05271	4.2
111.04449	5.1
116.06161	1.0
119.04922	3.9
119.08591	1.1
120.05724	15.1
121.02853	23.6
121.03957	5.5
121.06540	3.9
121.10131	3.5
122.03183	1.5
122.04120	0.6
122.06009	0.6
122.07153	0.6
125.90163	0.7
131.04916	0.8
131.08562	2.3
134.07274	1.0
149.02335	41.4
149.05966	1.4
149.09608	40.7
149.13248	3.2
150.02666	2.4
150.05472	1.4
150.07790	1.1
150.09982	3.1
167.03426	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50045	1.0
53.03927	3.1
55.01859	4.0
55.05507	6.2
56.96548	1.4
63.58614	1.3
65.03940	51.8
66.04250	2.6
67.05503	10.6
67.93551	2.5
69.07076	7.9
70.10075	4.5
71.52977	1.2
73.33603	1.2
79.05492	33.8
80.86183	1.0
81.07052	23.0
83.08607	2.3
91.05482	15.4
93.03387	11.6
93.07040	42.5
94.06509	1.0
94.07361	1.3
95.04962	5.0
95.08601	5.8
98.03670	1.8
103.05448	2.8
104.74419	1.3
105.03385	2.7
105.04507	1.1
105.07027	7.6
106.07326	1.5
107.04956	3.8
107.08590	32.1
108.04484	1.5
108.08908	1.3
109.06529	1.8
111.04429	12.3
119.08620	1.4
121.02862	54.5
121.03969	13.2
121.06487	2.6
121.10135	12.8
122.03208	3.1
122.05992	1.1
131.02396	1.2
131.04950	2.3
131.08624	1.3
149.02341	100.0
149.06009	2.9
149.09627	7.8
149.13254	18.1
150.02711	5.5
150.03688	1.5
150.05519	3.0
150.07724	2.5
150.09201	1.5
150.10268	5.5
150.13626	1.1
167.03395	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	149.0597
Annotation	cis-Cinnamic acid
Peak:m/z	Relative Intensity
51.02380	1.6
53.03945	6.8
55.01870	41.7
56.02198	1.4
58.76022	1.0
65.03940	77.1
66.04255	2.2
68.99783	5.2
71.12146	2.0
71.12517	1.7
72.18610	0.9
77.03923	1.7
79.05496	3.2
81.07050	3.0
81.52435	1.1
82.34362	1.0
91.05482	22.2
93.03398	16.5
93.07041	15.1
95.04962	16.6
98.03661	2.9
103.05465	70.2
104.05785	1.9
105.04540	2.5
105.07013	1.4
107.04953	17.0
107.08599	1.5
109.07612	1.0
110.08397	2.1
111.04435	18.9
119.04922	2.3
120.05745	1.5
121.02865	64.7
121.03957	14.9
121.06497	29.4
121.10107	1.3
122.03225	2.5
122.06986	1.9
131.04927	63.4
132.05247	3.9
149.02341	100.0
149.05966	26.8
149.08203	0.9
150.02682	4.6
150.06404	1.3
150.10274	1.2
167.03467	1.6
169.03441	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0598
Annotation	cis-Cinnamic acid
Peak:m/z	Relative Intensity
51.02380	1.5
53.03944	4.5
55.01875	47.4
56.02204	1.1
56.96556	1.2
65.03942	72.2
66.04270	1.9
68.05047	0.8
69.51168	7.0
76.52395	1.0
77.03926	1.6
77.08967	0.8
77.45920	0.9
79.05489	1.9
81.03423	1.0
81.07049	0.9
91.05482	15.3
93.03407	16.5
93.07044	13.7
95.04970	12.0
95.06076	1.0
98.03659	3.3
102.15368	0.8
103.05472	58.8
104.05805	2.0
105.04517	2.7
105.07019	1.3
107.04961	11.8
107.08598	0.9
109.07661	2.4
110.08421	3.1
111.03699	1.3
111.04445	17.4
119.04958	1.6
120.05764	1.3
121.02868	66.3
121.03970	14.8
121.06501	15.8
121.10080	0.8
122.03205	3.0
122.07087	1.3
123.09154	1.5
131.04932	67.9
132.05289	5.3
149.02347	100.0
149.05984	16.4
149.07114	1.4
149.08163	1.3
149.09662	1.2
150.02678	5.4
150.05406	1.4
150.07790	0.9
150.10274	2.3
150.59665	0.7
167.03442	1.0
169.03491	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	149.0597
Annotation	cis-Cinnamic acid
Peak:m/z	Relative Intensity
51.02361	1.0
53.03952	5.7
54.48116	1.0
55.01628	1.5
55.01873	22.0
62.59770	0.8
65.03941	70.3
66.04267	1.6
68.99795	8.7
69.59464	4.6
69.59874	2.2
79.05499	4.7
81.07068	5.8
91.05486	13.7
93.03408	14.9
93.07043	12.1
95.04970	9.6
98.03667	3.5
103.05468	66.9
104.05791	3.1
105.04507	1.7
105.07006	2.6
107.04953	10.7
107.08595	1.8
109.07651	1.5
110.08410	2.5
111.04432	15.6
119.04911	1.1
121.02869	65.1
121.03969	11.8
121.06507	23.5
121.10112	1.3
122.03167	1.8
122.07117	1.8
131.04933	42.8
132.05246	2.1
149.02347	100.0
149.05980	25.6
149.08029	1.7
149.09634	2.4
150.02689	5.0
150.06609	1.9
150.07785	3.6
150.10294	2.9
167.03357	1.3
169.03531	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0596
Annotation	cis-Cinnamic acid
Peak:m/z	Relative Intensity
53.03937	6.9
55.01868	66.3
55.05488	1.1
56.02196	1.0
65.03609	1.0
65.03936	19.8
67.05463	0.9
69.07037	1.0
69.71760	5.2
72.69637	0.7
77.03921	1.7
79.05486	6.5
81.03417	1.6
81.07032	1.5
91.05474	24.6
92.05814	1.1
93.03410	5.1
93.07038	21.6
94.06596	1.3
94.07342	1.1
95.04957	14.0
98.03627	1.5
102.04675	0.8
103.05459	78.4
104.05115	1.1
104.05794	4.0
105.04492	2.3
105.07008	6.4
107.04277	1.5
107.04948	18.4
107.08591	3.2
111.03811	1.0
111.04424	5.2
119.04938	3.5
119.08566	2.0
120.05717	2.3
121.01985	1.4
121.02859	22.6
121.03953	5.7
121.06495	21.7
121.10138	6.5
122.07158	2.1
123.08042	0.8
131.04916	100.0
132.04402	2.4
132.05283	5.7
137.88867	0.8
149.02336	40.0
149.03371	1.5
149.05966	31.5
149.08400	1.7
149.09593	9.8
149.13229	1.3
150.02710	1.6
150.05370	1.2
150.06464	1.2
150.07675	0.9
150.10204	1.1
167.03436	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0597
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
50.01583	0.3
51.02387	0.8
53.03948	3.0
55.01876	2.1
57.12683	0.3
63.48747	0.3
65.03941	29.6
66.04266	0.8
67.05501	0.7
68.99774	0.3
70.27933	1.1
77.03919	0.9
79.05493	52.1
80.05033	0.4
80.05830	1.8
81.02289	0.2
81.03428	0.4
81.07049	0.4
82.06570	0.3
89.99203	0.3
91.05481	11.5
92.05799	0.6
93.03404	6.3
93.07043	26.8
94.03755	0.4
94.06552	0.4
94.07391	0.8
95.04967	10.1
96.05274	0.4
97.20583	0.3
98.03674	1.5
98.20621	0.3
102.04659	0.4
102.83064	0.3
103.05467	100.0
104.05086	0.5
104.05807	4.2
105.03412	0.3
105.04511	2.0
105.07028	1.9
107.04956	27.0
108.04511	0.3
108.05261	0.6
109.07633	0.6
110.08440	0.7
111.04443	6.3
121.02863	26.5
121.03962	6.0
121.05654	0.6
121.06498	10.0
122.03214	0.7
122.06052	0.4
122.06876	0.4
123.09137	0.3
131.04019	0.5
131.04926	5.0
149.02342	40.5
149.05951	3.5
149.07051	0.4
150.02669	2.2
150.05476	0.9
150.07784	0.6
150.09085	0.3
150.10252	0.7
167.03406	1.1
169.03444	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0597
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
51.02371	1.0
53.03940	5.3
53.07331	0.4
55.01868	3.7
55.05501	2.1
56.30564	0.5
56.96552	1.6
60.40355	0.4
65.03934	47.1
66.04276	0.8
67.05493	5.5
67.93549	1.3
68.99786	0.7
69.07047	1.8
71.60582	0.7
72.59407	0.5
77.03941	0.6
78.04723	0.7
79.05482	6.9
80.05023	0.7
81.03410	0.8
81.07056	6.5
83.08670	0.5
91.05472	100.0
92.05799	3.6
93.03395	9.3
93.07033	20.4
94.06564	0.5
94.07345	1.1
95.04964	12.3
95.08597	1.7
98.03681	2.2
103.05456	5.7
105.03387	1.9
105.04510	1.5
105.07006	1.7
106.04140	1.8
107.04961	2.8
107.06064	0.6
107.08582	6.4
108.04475	1.2
109.06503	27.2
110.06857	0.8
111.03806	0.8
111.04441	8.0
116.06252	0.6
118.02000	0.4
119.06064	7.3
121.02859	39.5
121.03962	8.0
121.06450	2.6
121.10120	2.3
122.03210	1.1
122.04291	0.6
122.06000	0.6
122.07113	0.6
126.05476	0.9
131.04883	2.4
131.08553	0.9
135.07912	0.7
139.07527	1.5
149.02332	65.3
149.03310	2.4
149.05968	15.2
149.07005	0.8
149.08446	0.8
149.09555	3.6
149.13255	2.7
150.02699	2.7
150.05449	0.9
150.06587	0.6
150.07773	1.1
150.09024	0.7
150.10181	1.1
167.03378	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	148.0756
Annotation	3-Methyloxindole
Peak:m/z	Relative Intensity
51.02364	1.5
53.03941	5.2
54.03461	1.3
55.01871	4.4
55.05497	2.5
56.05021	0.9
56.06688	0.8
56.96330	0.9
56.96565	8.9
65.03938	39.3
66.04253	3.2
67.05489	2.5
67.41718	0.8
67.73551	0.7
68.99792	1.4
69.03432	0.8
70.06572	1.2
70.12563	0.7
71.50289	1.7
72.04478	0.8
72.93768	1.2
74.06067	1.1
74.80725	0.7
75.89440	0.7
77.03912	1.3
78.04715	1.1
79.05485	9.6
80.05016	4.9
81.03390	1.1
84.04489	2.3
88.07619	1.3
90.94814	0.7
91.05477	21.4
92.05003	3.8
92.05808	34.8
93.03400	10.0
93.04488	1.0
93.07044	10.9
94.06567	3.6
95.04967	11.6
98.03671	2.1
102.05509	1.0
103.05466	18.3
104.04944	0.9
105.03393	1.5
105.04546	1.9
105.05766	2.4
105.07002	1.0
106.06552	2.3
107.04947	6.1
107.06074	2.3
108.06849	3.1
111.03827	1.5
111.04462	9.9
118.06501	1.7
119.04949	6.7
119.07339	0.9
120.04449	5.6
120.05255	33.7
120.08097	19.6
120.08929	1.5
121.02860	42.9
121.03963	9.8
121.05621	1.5
121.06496	14.2
121.07609	4.5
121.10136	1.1
122.06068	0.8
122.07079	1.2
123.04424	0.8
130.02881	2.5
130.06531	18.9
131.04921	39.1
131.07190	1.1
131.08496	0.9
132.05255	1.3
132.08093	1.0
133.05226	59.0
133.08896	1.1
134.05568	1.3
146.05992	2.4
147.06735	1.1
148.03688	8.8
148.04790	11.3
148.07567	100.0
148.08621	6.1
148.11127	5.9
149.02335	66.6
149.05972	15.4
149.07994	4.8
149.09584	1.4
167.03419	1.9
167.87105	0.8
169.03510	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0756
Annotation	3-Methyloxindole
Peak:m/z	Relative Intensity
50.14566	0.4
50.76338	0.4
51.02374	0.5
53.03947	2.8
53.34009	0.4
55.01859	1.4
55.05497	0.6
56.96556	1.6
57.03421	0.5
65.03935	10.1
66.03457	0.6
66.83244	0.4
66.89606	0.4
67.05494	1.3
68.53860	0.5
71.19914	0.4
71.59636	0.6
71.60017	0.5
77.03925	1.2
78.04682	0.6
79.05489	7.9
80.05004	1.7
80.33617	0.4
81.03411	1.2
81.07053	1.7
83.04973	0.7
84.04485	1.3
89.03946	0.6
91.05476	8.1
91.06006	0.7
92.04980	0.9
92.05813	2.5
93.03403	3.6
93.07040	8.4
94.06550	0.8
95.04958	7.1
98.03664	0.6
102.04699	0.5
103.05470	9.6
104.04990	1.2
105.04499	1.3
105.05790	2.4
105.07018	1.7
105.80088	0.4
106.06551	2.2
106.07355	1.4
107.04953	11.5
107.06049	0.6
107.08574	2.0
111.04478	2.1
117.63929	0.4
118.06523	1.4
119.04940	1.3
119.08602	0.5
120.04442	3.8
120.05302	1.8
120.08106	16.3
120.08899	2.0
121.02002	0.6
121.02863	11.4
121.03967	2.9
121.06504	6.1
121.07563	0.9
121.08396	0.4
121.10084	0.9
122.07169	0.7
130.06528	15.9
131.04924	24.9
131.07253	1.6
131.40234	0.5
132.05305	0.8
132.08163	0.4
133.05228	73.1
134.05563	2.5
146.05986	2.0
147.06738	1.8
147.29951	0.4
148.03882	1.4
148.07565	100.0
148.12042	1.1
149.02342	20.8
149.06056	2.5
149.07957	3.9
149.09615	1.7
149.13287	0.7
158.07234	0.6
167.03403	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Desmarestene
Peak:m/z	Relative Intensity
51.02377	0.8
53.03931	1.2
55.01860	1.5
55.05506	13.1
56.96553	1.3
57.03418	1.2
61.01768	0.7
64.92796	2.2
65.03951	4.1
67.05497	3.0
69.03419	5.8
69.07059	3.5
79.05495	9.5
81.07051	2.6
83.04967	0.8
84.04501	1.8
85.02878	1.1
91.05471	50.6
92.05008	1.0
92.05816	2.7
93.07040	5.4
94.29995	0.7
95.04968	1.7
103.05467	5.3
104.06245	1.7
105.07019	89.2
106.07344	3.7
107.08588	6.9
115.05440	2.3
116.06226	1.3
117.06192	1.5
117.07005	15.8
118.07378	0.9
119.04935	12.5
119.08568	100.0
120.04461	1.8
120.05285	1.3
120.08099	1.3
120.08878	5.7
123.96447	3.7
128.64001	0.8
129.07001	1.3
131.08543	2.5
132.09369	6.2
135.52162	0.7
145.10135	6.2
147.04385	5.4
147.05536	3.9
147.06529	0.9
147.08035	4.6
147.11671	51.0
148.03902	1.7
148.12019	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	147.1168
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03948	1.5
55.05520	3.2
64.92809	0.7
65.03935	1.7
67.05509	13.0
69.07063	2.8
69.79562	2.5
79.05495	18.5
80.05795	0.8
81.07058	12.6
91.05483	100.0
92.05814	3.9
93.07047	6.1
95.04970	2.9
101.68262	0.4
103.05476	2.7
104.06267	0.5
105.07033	47.2
105.11536	0.5
106.06745	0.4
106.07320	2.5
107.04948	0.9
107.08578	0.6
114.92605	0.4
115.05424	0.6
117.07005	4.9
118.07814	0.7
119.04979	2.2
119.08582	33.2
120.08121	0.6
120.08922	1.2
123.96417	0.5
128.06227	4.1
129.07011	18.6
130.07358	0.9
145.06508	0.6
145.10098	1.3
147.04401	1.2
147.05510	1.0
147.08047	17.1
147.11694	11.7
148.03874	0.7
148.08423	1.0
148.12039	0.6
155.06056	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	147.1167
Annotation	Viridiene
Peak:m/z	Relative Intensity
50.17527	1.1
53.03923	2.4
55.01861	1.1
55.05511	13.1
55.89953	1.2
56.05035	1.4
56.96565	8.9
57.03415	1.4
63.14445	0.9
64.92792	2.9
65.03941	8.7
67.05503	8.6
69.03433	5.2
69.07054	2.5
71.59376	1.9
75.57509	1.1
79.05494	9.6
81.03412	1.5
81.07037	4.2
83.04958	1.8
84.04502	4.7
84.08122	2.7
85.02894	1.7
91.05475	91.3
92.04993	1.9
92.05785	5.4
93.07030	4.3
95.04966	1.6
97.99116	1.2
103.05459	6.9
105.07024	90.6
106.06586	1.8
106.07350	3.7
107.04941	4.4
107.08601	4.8
109.10127	1.3
115.05450	1.4
116.06226	1.5
117.07013	14.8
119.04936	46.2
119.08572	100.0
120.04485	2.2
120.05318	3.8
120.08905	6.5
123.96454	7.8
129.07001	2.7
130.02803	1.3
130.05051	1.9
130.06516	2.3
131.08592	1.9
132.05754	1.7
132.09360	5.3
145.10149	7.5
147.04398	21.4
147.05513	7.1
147.06480	2.4
147.08028	10.3
147.11679	55.1
148.03912	4.1
148.04915	1.8
148.07550	4.0
148.08580	1.6
148.12038	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	147.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.8
53.03931	1.2
55.01860	1.5
55.05506	13.1
56.96553	1.3
57.03418	1.2
61.01768	0.7
64.92796	2.2
65.03951	4.1
67.05497	3.0
69.03419	5.8
69.07059	3.5
79.05495	9.5
81.07051	2.6
83.04967	0.8
84.04501	1.8
85.02878	1.1
91.05471	50.6
92.05008	1.0
92.05816	2.7
93.07040	5.4
94.29995	0.7
95.04968	1.7
103.05467	5.3
104.06245	1.7
105.07019	89.2
106.07344	3.7
107.08588	6.9
115.05440	2.3
116.06226	1.3
117.06192	1.5
117.07005	15.8
118.07378	0.9
119.04935	12.5
119.08568	100.0
120.04461	1.8
120.05285	1.3
120.08099	1.3
120.08878	5.7
123.96447	3.7
128.64001	0.8
129.07001	1.3
131.08543	2.5
132.09369	6.2
135.52162	0.7
145.10135	6.2
147.04385	5.4
147.05536	3.9
147.06529	0.9
147.08035	4.6
147.11671	51.0
148.03902	1.7
148.12019	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	147.1167
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03938	2.7
55.05504	5.9
56.32530	0.7
56.54361	0.7
56.96554	1.4
59.84837	0.8
61.75389	0.8
64.92800	3.0
65.03942	4.4
67.05167	1.2
67.05504	20.6
67.11599	0.8
68.05820	0.7
69.03419	5.5
69.07064	7.4
70.66308	2.4
79.05490	20.2
79.05955	1.0
81.07055	15.1
81.93138	1.0
83.04973	1.9
84.04488	0.9
85.02906	1.7
85.19675	0.7
87.65082	0.8
91.05476	100.0
92.05814	4.8
93.07046	10.6
95.04962	4.4
103.05460	4.5
104.06270	0.8
105.07025	88.6
106.07359	3.1
107.04910	1.4
117.07021	9.7
119.04938	12.2
119.08575	56.5
120.04448	1.7
120.05250	0.9
120.08910	4.1
123.96443	4.6
129.06998	6.1
132.05745	1.4
132.09401	1.5
145.10176	3.7
147.04402	6.4
147.05568	3.9
147.08043	14.1
147.09149	0.9
147.11682	33.3
148.03903	2.9
148.12047	2.1
150.31810	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Viridiene
Peak:m/z	Relative Intensity
50.58538	0.9
53.03937	2.0
55.01866	1.3
55.05507	12.0
56.96566	5.2
64.92791	3.9
65.03941	8.7
67.05495	4.9
68.23308	0.9
68.97295	0.9
69.03436	7.3
69.07050	4.1
70.56590	3.0
70.97482	0.8
71.04994	1.0
72.39679	1.0
79.05490	7.1
81.07033	2.7
83.04961	1.4
84.04500	5.4
84.08133	2.8
85.02882	1.8
91.05476	96.4
92.04996	1.4
92.05801	4.0
93.07047	4.4
95.04965	2.2
98.20757	1.1
103.05417	5.4
104.06271	1.1
105.07027	86.5
106.07355	3.3
107.04908	3.0
107.08606	5.2
115.05431	1.5
116.06255	1.2
117.06994	12.6
119.04939	45.3
119.08575	100.0
120.04488	2.0
120.05296	2.3
120.08878	4.9
121.07585	1.6
123.96482	6.5
124.90980	0.8
129.06984	2.0
130.06528	2.2
131.08551	1.4
132.05714	1.5
132.09354	4.4
145.10107	7.9
147.04398	22.6
147.05522	8.1
147.06523	1.3
147.08049	8.9
147.09145	1.7
147.11679	43.0
148.03918	4.1
148.04947	1.9
148.07524	3.5
148.08661	3.1
148.12032	2.5
159.82713	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0804
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
53.03936	0.6
55.01874	0.8
55.05503	2.0
56.96556	0.7
64.92793	1.5
65.03933	4.0
66.73053	0.3
67.05505	0.8
69.03429	1.5
69.07060	0.6
70.98217	0.3
71.33202	0.6
71.33536	0.5
73.02938	0.3
78.04707	1.1
79.05493	3.2
81.03442	0.3
81.07033	0.7
84.04500	1.4
84.08150	1.1
84.76820	0.3
85.02935	0.6
89.03944	0.3
91.05477	100.0
92.05811	6.4
93.07041	0.8
95.04946	1.1
103.05465	2.9
104.06252	4.2
105.07029	14.2
107.04950	15.2
107.08597	0.6
115.05447	17.7
116.06306	2.7
117.07020	12.4
118.04136	0.6
118.06516	1.1
118.07308	0.5
119.04946	18.9
119.06865	13.4
119.08574	25.3
120.04435	1.0
120.05231	0.7
120.08891	1.0
123.96452	2.0
128.06219	1.5
129.07019	2.0
130.02898	0.4
130.04971	0.4
130.06512	0.6
131.04918	4.0
131.08562	0.6
132.05705	13.6
132.09352	0.9
133.06372	0.4
135.08034	3.8
143.06075	0.4
145.06470	1.6
145.07545	0.5
145.10124	1.1
147.04468	7.0
147.05499	1.6
147.06496	2.2
147.08041	50.6
147.11685	6.9
148.03870	0.7
148.08463	2.2
162.74098	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0804
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
51.02366	0.4
55.01862	0.6
55.05502	0.9
56.96564	1.5
64.92800	1.1
65.03939	2.3
67.05502	0.8
69.03431	0.7
69.07056	0.5
69.52860	2.3
78.04713	0.7
79.05489	3.2
81.03419	0.3
83.04960	0.3
84.04479	0.9
84.08134	0.6
89.03927	0.3
91.05474	100.0
92.04993	0.4
92.05260	0.4
92.05807	3.3
93.07049	0.8
95.04958	0.8
102.04652	0.4
103.03954	0.2
103.05453	2.5
104.05602	0.4
104.06252	4.7
104.24306	0.2
105.03365	0.4
105.04490	0.3
105.07026	7.3
107.04945	17.1
107.08640	0.3
108.05304	0.6
109.06659	0.3
109.10175	0.3
115.05444	20.7
116.06309	2.4
117.07010	13.9
118.04171	0.5
118.07351	0.4
119.04932	12.0
119.08571	14.8
120.04478	0.6
120.05300	0.5
120.08894	0.7
121.06441	0.4
123.96429	1.5
128.06218	3.0
129.07004	2.1
130.06505	0.3
131.04919	4.3
132.05696	15.9
133.06392	0.8
135.08047	4.5
145.06483	1.5
145.07558	0.4
145.10104	0.5
146.07309	0.4
147.04395	4.8
147.08035	50.0
147.11679	2.9
148.03941	0.8
148.08418	3.2
162.38152	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.0
56.05034	4.4
56.05841	1.3
57.03424	0.5
58.06588	1.2
59.04987	0.6
61.66429	0.5
64.38046	0.4
69.03461	0.5
70.06600	1.2
70.28414	2.2
72.04498	0.5
72.08154	4.5
73.08483	4.6
78.86136	0.5
84.04502	100.0
84.08141	23.4
85.02920	2.2
85.04844	2.0
85.08486	2.4
88.02670	0.5
91.05470	2.9
101.06059	0.9
101.07150	1.7
102.02398	0.5
102.05546	3.3
102.06353	1.9
112.22591	0.5
113.11591	1.9
114.30741	0.5
115.26342	0.5
119.01912	1.5
119.04945	3.5
130.04996	22.5
130.08646	2.3
131.01869	0.6
131.05322	0.8
147.12169	0.7
158.56668	0.5
161.03000	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0764
Annotation	L-Glutamine
Peak:m/z	Relative Intensity
55.05514	1.5
56.05033	3.8
56.05882	0.9
57.92257	0.8
65.03921	1.0
70.06585	0.7
70.92731	1.7
72.08161	4.2
73.07835	0.7
73.08477	2.8
75.01892	0.9
77.02197	0.8
84.04506	100.0
84.08147	19.9
85.02898	1.7
85.04828	2.1
85.08493	2.0
90.54108	0.7
91.05474	5.7
101.07130	1.9
102.02379	0.7
102.05546	3.1
103.57846	0.8
108.02844	0.7
113.11581	1.1
119.01975	1.5
119.04943	8.1
127.74060	0.7
130.05003	21.2
130.08618	1.0
143.01971	0.8
147.04443	1.2
147.12109	0.9
161.03035	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.02375	0.4
53.03947	0.4
56.96576	0.4
63.02380	0.3
65.03938	12.9
66.04254	0.4
71.03725	0.6
76.21140	0.2
84.04514	1.5
91.05479	100.0
92.05813	3.8
95.04966	0.9
99.40410	0.2
105.07040	0.6
107.04990	0.3
114.20785	0.3
119.04940	75.7
119.08598	0.8
120.04420	0.6
120.05239	3.1
123.96445	0.4
130.06491	0.3
132.88835	0.3
147.04408	23.0
147.08031	0.6
148.03770	0.5
148.04788	0.9
148.07591	0.3
164.53343	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71346	0.3
55.01875	0.4
55.05495	0.5
56.06128	0.3
62.13174	0.3
64.92808	0.4
65.03934	11.7
69.03423	1.0
70.88000	1.2
76.19988	0.3
84.04483	3.5
90.04671	0.3
91.05474	100.0
92.05802	4.0
92.90952	0.3
95.04928	0.7
103.05387	0.4
104.42829	0.3
105.07034	1.7
107.04996	0.3
107.50432	0.3
117.07011	0.9
119.04934	88.1
119.08580	3.4
120.05256	3.6
120.08150	0.5
123.96427	0.5
130.05019	0.4
133.05261	0.6
145.10185	0.5
145.57387	0.4
147.04404	32.0
147.08000	0.9
147.11678	1.5
148.04752	1.5
148.07545	1.3
148.08607	0.4
163.81592	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.02370	0.6
51.30494	0.5
55.05495	1.7
56.05022	3.9
56.05840	1.1
56.96553	2.5
57.03415	0.6
59.04994	0.7
59.06105	0.5
64.92802	0.8
65.03932	11.2
67.05537	0.6
69.03416	1.6
70.81792	1.6
72.08127	0.7
76.66199	0.5
84.04494	88.9
84.08130	14.1
85.02901	1.8
85.04816	0.9
85.08485	1.3
87.01836	0.5
88.07638	0.9
91.05470	100.0
92.05782	3.0
93.02068	1.0
95.04957	0.7
97.02888	1.7
98.97562	0.5
101.01696	0.9
101.06051	0.7
101.07109	1.7
102.05528	5.3
102.06315	1.1
107.05030	0.6
119.04926	96.6
120.05257	4.3
128.02306	0.6
128.97375	0.5
129.11017	0.6
130.04019	1.2
130.04985	20.6
130.06476	0.8
130.08585	1.7
137.98145	0.6
147.04396	32.0
147.12143	1.1
148.04761	1.5
149.01192	1.9
167.02261	0.7
168.88084	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.03935	0.6
55.05500	0.9
61.60534	0.3
63.02342	0.3
64.02858	0.3
64.92796	0.8
65.03934	11.8
66.04271	0.5
67.05486	0.5
69.03420	0.3
71.06211	0.4
71.06567	0.3
72.18410	0.3
79.05489	1.0
84.04485	1.0
84.08140	0.8
91.05473	100.0
92.05799	4.2
95.04935	0.9
102.41573	0.2
103.05453	0.7
105.07022	6.1
107.04932	0.6
107.08578	0.3
111.09529	0.3
115.05495	0.3
117.06992	1.6
119.04932	84.6
119.08560	6.8
120.04484	0.6
120.05264	4.9
123.96431	1.4
129.04443	0.3
130.02907	0.3
130.06532	0.3
132.09312	0.4
145.10117	0.4
147.04405	32.1
147.05388	1.4
147.06377	1.7
147.08009	2.1
147.09081	0.4
147.11697	3.7
148.03754	0.3
148.04767	2.0
148.07561	0.5
163.96432	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35476	0.3
52.71175	0.3
53.03945	0.4
55.05499	0.4
62.09001	0.3
65.03933	10.8
70.90807	0.8
70.91158	0.4
79.05476	0.4
84.04489	2.5
91.05472	100.0
92.05799	4.1
95.04958	0.5
105.07024	2.6
119.04931	96.6
119.08557	2.9
119.72985	0.3
120.05260	5.2
130.04980	0.7
147.04398	36.0
147.08058	0.9
147.11719	0.9
148.04706	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08150	4.5
64.92796	21.4
69.03427	12.6
70.84618	3.6
70.84956	9.8
74.48065	3.4
79.02979	9.5
87.04465	100.0
91.05483	17.8
93.04507	3.6
105.04511	13.5
106.04034	15.0
106.05276	6.5
107.04850	4.5
111.07909	4.5
118.06557	4.1
119.04922	13.7
119.06066	12.8
120.05592	14.6
123.96445	22.1
146.05978	11.7
146.07126	28.0
146.98004	5.3
147.04427	6.8
147.05565	5.5
147.06635	18.5
147.07930	13.5
147.09062	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	146.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05654	2.6
60.08167	4.5
62.92974	2.9
64.92808	12.1
65.03930	1.1
68.05021	1.1
71.29928	0.9
71.57249	1.2
75.38944	1.0
78.03448	2.8
79.02975	2.6
86.06053	1.6
87.04466	100.0
88.04794	2.3
91.05486	9.9
91.60255	1.0
92.04980	1.3
93.04518	2.0
96.04470	1.5
103.05482	1.2
105.04514	6.0
106.04027	2.1
106.05318	1.6
107.04832	1.3
110.07212	1.0
111.07893	1.5
117.07026	1.0
118.06519	4.3
119.04954	4.1
119.06021	4.5
119.08532	2.0
120.05613	5.7
120.06331	1.1
121.96629	1.2
123.96452	20.5
142.47473	1.0
146.05981	6.5
146.07130	7.7
146.09444	1.1
146.11726	2.6
146.98000	4.6
147.04411	2.6
147.05539	2.5
147.06654	5.0
147.07971	3.1
147.09160	1.6
159.07373	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	29.3
56.05029	3.1
56.05847	0.8
57.03437	1.0
58.06598	11.2
59.05005	7.8
59.23153	0.5
60.05647	1.8
67.05535	0.6
69.03422	1.0
70.06587	0.9
71.41685	1.2
72.08157	100.0
73.08482	3.0
75.09231	2.1
76.28403	0.5
81.03426	0.7
82.06585	1.3
83.04979	13.7
84.04507	46.0
84.08145	39.9
85.02870	1.3
85.06548	1.2
85.08475	1.3
86.06067	7.4
87.04475	9.0
91.05492	2.7
93.21035	0.5
100.07638	1.1
100.11253	1.2
101.06020	25.0
101.07112	1.2
102.05524	1.1
102.06371	0.8
104.07116	0.8
111.05595	0.9
112.11246	24.0
119.01915	0.8
119.04957	3.2
128.10735	6.0
129.13887	4.2
130.05011	12.6
130.08684	0.7
133.97868	0.6
146.09271	3.5
146.11760	9.4
146.12808	1.0
146.16562	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.1651
Annotation	Spermidine
Peak:m/z	Relative Intensity
55.05509	8.8
56.05039	0.7
56.36673	0.3
56.96555	0.6
57.04552	1.4
58.06597	10.5
59.05000	1.6
60.05650	0.4
65.03942	1.8
67.00801	0.3
69.03419	0.7
70.06586	1.1
71.09103	0.6
71.09435	0.4
72.08150	100.0
73.06555	0.8
73.07845	0.5
73.08482	4.0
74.02453	0.3
74.07198	0.8
75.09263	2.1
75.09621	0.3
82.06560	0.9
83.04985	2.6
84.04508	2.2
84.08138	21.8
85.06532	0.5
85.08454	0.5
85.28799	0.3
86.06055	2.4
87.04472	2.7
90.09214	0.5
91.05476	18.7
95.04967	0.5
98.97572	0.3
100.07600	0.8
101.06018	4.9
103.05490	1.6
112.11239	20.6
113.11593	1.0
119.04932	29.6
128.10718	1.0
129.13884	3.4
130.05032	0.4
146.06021	0.5
146.08047	0.4
146.09213	0.4
146.11765	2.2
146.12814	0.4
146.16475	1.5
147.04382	3.8
164.60027	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
55.05504	0.9
64.92799	0.4
65.03932	11.6
68.73564	0.3
69.03436	0.6
70.84426	0.5
70.84765	0.9
81.07043	0.4
84.04511	0.8
84.08134	0.5
91.05473	100.0
92.05800	3.9
103.05442	0.5
105.07027	4.3
105.75147	0.4
105.76038	0.4
107.08589	0.6
108.06925	0.4
117.06972	0.9
119.04934	88.5
119.08572	7.0
120.05251	4.8
121.07648	0.4
122.43189	0.4
123.96429	1.0
132.09381	0.6
147.04402	33.1
147.11690	3.2
148.03749	0.4
148.04747	1.6
148.08656	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.3
55.01886	1.1
55.05510	100.0
56.05034	2.5
56.05836	2.7
56.96559	2.1
57.03432	1.1
58.06587	2.8
59.04710	1.4
59.05000	24.1
60.05331	0.7
60.05632	4.8
61.02906	0.8
65.03943	1.5
67.57728	0.8
68.05022	1.3
69.03426	4.5
70.03747	1.2
70.06580	0.7
70.93651	1.5
71.04989	0.9
72.08138	2.6
73.02915	1.0
73.06544	1.5
74.06091	1.1
81.03416	1.5
82.06578	2.9
83.04484	1.8
83.04980	38.3
83.06061	1.3
84.04505	27.9
84.08143	77.6
85.02917	2.3
85.06539	2.7
85.08459	1.0
86.03231	1.1
86.06066	30.1
87.04465	21.5
87.06380	0.9
91.05482	10.3
96.02444	1.2
97.02850	1.4
98.97587	1.1
100.04771	1.8
100.07611	6.8
100.11243	5.3
101.06016	72.8
102.02414	1.2
102.05507	1.3
102.06352	2.0
103.02377	0.8
104.07082	2.4
107.20087	1.1
111.05542	2.0
116.98675	1.0
118.06553	1.5
119.01898	4.4
119.04935	8.0
121.01663	1.1
128.07094	2.3
128.08167	1.2
128.10719	15.3
129.36607	0.9
130.05008	6.3
130.08623	1.2
131.01942	1.5
137.02995	1.1
146.05992	1.9
146.08211	1.5
146.09251	5.6
146.11760	29.9
147.04381	1.8
147.12166	1.2
161.02895	1.2
162.12120	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.1175
Annotation	Butyrobetaine
Peak:m/z	Relative Intensity
53.03940	2.2
55.05505	100.0
56.05832	0.8
57.03407	1.1
58.06598	1.4
59.04997	26.2
60.05640	2.4
69.03441	1.4
70.20693	3.6
72.08141	1.7
73.06558	1.0
83.04974	44.2
84.04497	3.5
84.05305	1.0
84.08134	67.3
85.06530	2.5
85.08450	1.4
86.06058	10.5
87.04458	15.3
100.11254	4.6
101.06007	84.9
102.06313	3.9
104.07084	1.0
111.05557	1.1
119.04884	0.8
128.07126	0.7
128.08156	1.7
128.10709	20.9
129.10989	1.0
146.09271	4.5
146.11745	45.1
147.12160	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	146.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	1.5
59.03966	1.2
59.44863	1.2
60.05643	2.6
60.07250	1.2
60.08160	4.5
62.92978	5.0
64.92809	55.4
64.93154	3.1
65.03954	1.4
67.05488	1.6
70.93495	1.8
70.93809	2.1
72.41642	1.5
78.03451	2.7
79.02972	2.4
79.05479	1.3
86.06076	2.6
87.04469	100.0
88.04810	2.5
90.03440	2.0
91.05479	25.0
92.05003	2.9
93.04519	2.5
95.04915	1.5
103.05405	1.4
105.04499	8.1
105.07018	2.5
105.95363	1.6
106.04025	3.0
106.05333	1.5
107.04842	1.8
109.31069	1.2
110.07147	1.7
111.07936	3.5
117.06981	1.5
118.06534	8.8
119.04971	7.6
119.06033	6.1
119.08583	4.5
120.05605	6.4
121.96632	3.3
122.96953	1.9
123.96457	41.5
128.05008	2.4
138.06596	1.7
146.03455	1.3
146.06004	14.0
146.07141	10.8
146.11758	1.7
146.98027	5.1
147.04419	4.9
147.05522	4.9
147.06647	5.4
147.07971	4.4
147.09120	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	146.06
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84324	0.9
65.11221	0.9
71.42368	1.4
72.08150	2.9
81.83578	0.9
84.38976	0.9
91.05485	40.2
95.04952	1.2
103.05470	1.5
112.11288	1.4
117.05772	6.9
118.06546	100.0
119.04974	2.5
119.06886	3.9
128.04971	32.9
129.05353	1.6
142.73824	1.0
146.06013	75.3
147.06363	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	146.06
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
53.48703	1.0
66.35021	1.1
71.23653	1.1
71.41838	2.0
72.08153	2.0
90.55396	1.2
91.04902	1.7
91.05477	30.6
92.05782	1.4
103.05481	1.1
117.05729	8.5
118.06543	100.0
119.06892	2.6
128.04961	26.0
146.06007	71.8
147.06332	2.4
151.54439	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.06
Annotation	3-Methyleneoxindole
Peak:m/z	Relative Intensity
52.00678	0.4
53.03941	1.0
53.25179	0.4
55.05508	2.2
56.05033	0.9
56.96569	0.8
57.03433	1.1
58.06622	0.4
63.33236	0.4
64.92802	0.8
65.03942	1.8
67.05511	0.6
69.03412	1.0
70.17708	1.2
70.18109	0.7
71.04990	1.2
72.04526	0.7
72.08151	2.7
72.93824	0.5
74.02453	0.5
74.83224	0.4
76.72955	0.3
79.05486	1.2
81.03436	1.0
83.04996	0.8
84.04517	1.4
84.08138	1.4
86.06064	1.2
86.09705	2.4
87.04488	0.5
91.05477	46.2
92.05834	0.9
95.04972	1.4
100.04774	1.3
100.07603	0.4
101.06028	0.6
103.05479	1.2
104.04996	2.7
105.07030	7.0
106.07360	1.2
107.04978	0.9
107.08615	0.6
110.06062	0.5
112.11283	0.6
115.05451	1.4
116.05762	0.6
117.05764	5.0
117.07037	2.7
118.06539	92.1
119.04942	12.6
119.06136	0.7
119.06851	4.1
119.08576	10.5
123.96472	2.2
128.04985	2.9
128.05832	0.4
128.06142	0.3
128.07069	0.6
130.04865	0.4
130.07333	0.4
131.04872	0.7
131.08147	1.4
132.05719	1.4
132.09326	0.6
145.10133	0.8
146.06000	100.0
146.10489	2.6
147.04465	4.7
147.06406	4.5
147.08044	6.2
147.11703	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	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.2
53.21834	0.7
54.20834	0.9
55.01872	5.3
56.05014	1.4
56.96552	2.0
57.03437	5.0
62.92677	1.3
62.92985	18.8
64.93773	0.9
67.05486	2.5
69.03413	2.4
71.01328	1.8
71.04990	18.7
71.06043	0.8
71.29447	1.0
71.29766	1.2
72.04488	1.9
74.02443	4.0
79.05469	2.3
81.03409	6.8
85.02894	6.2
86.06043	2.3
87.00877	1.0
87.04460	1.0
91.05471	19.5
92.05798	1.0
97.02897	1.9
99.04446	45.3
99.05509	1.8
99.34514	0.9
100.03972	1.1
101.02386	1.8
103.05427	5.4
105.07023	83.1
106.07347	3.6
115.05449	10.5
116.06219	3.1
117.07006	33.3
118.06527	6.0
118.07284	1.4
121.96631	24.0
127.03909	7.9
128.04985	1.3
128.06200	7.8
128.07071	1.0
129.06995	11.3
130.07774	46.3
131.04927	2.0
131.08113	2.8
139.01851	1.8
142.59651	0.8
143.08568	8.3
144.98212	4.2
145.03929	1.3
145.05066	2.3
145.06487	6.5
145.10109	100.0
146.05974	7.8
146.07051	1.3
146.10458	5.5
147.07896	0.8
148.28043	0.8
155.06007	1.4
164.03413	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47910	1.3
53.03942	14.2
55.01868	7.7
55.05497	3.0
56.96555	4.6
57.03434	8.2
61.02906	1.4
62.92984	28.8
67.05486	4.6
69.03409	5.8
69.67424	8.7
71.01347	2.5
71.04990	43.5
72.04518	2.0
72.08154	2.1
74.02431	3.9
79.05484	2.5
81.03415	17.6
82.06563	1.8
83.04987	2.2
84.04489	1.6
84.08105	1.3
85.02895	13.8
86.06066	4.7
91.05475	37.7
95.04992	1.7
97.00801	3.2
97.02882	2.2
98.20822	2.0
99.04445	98.1
100.04790	2.6
100.07596	3.0
101.02345	2.2
103.05464	7.9
104.90789	1.8
105.07020	71.9
105.69329	1.3
106.07381	2.4
108.68807	1.3
112.33963	1.4
115.03906	1.4
115.05449	22.0
116.06232	10.1
117.07010	77.7
118.06532	14.5
118.07328	3.4
121.96635	42.2
127.03918	16.6
127.05331	1.7
128.04973	1.9
128.06273	7.6
128.07050	2.1
129.06999	15.1
130.07782	50.4
137.98337	2.9
139.01817	5.2
143.08551	9.0
144.98212	4.5
145.03967	2.5
145.05038	7.1
145.06482	23.7
145.07603	2.9
145.10112	100.0
146.05977	14.4
146.06979	2.0
146.08144	4.3
146.10440	3.9
155.06026	6.2
155.07294	1.4
157.07399	1.6
164.03418	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.0
55.01870	2.2
55.05507	0.9
56.96565	1.2
57.03436	2.5
62.92985	7.8
65.03935	1.1
67.05496	1.7
69.03427	1.7
71.01340	0.8
71.04591	0.8
71.04987	13.7
71.59553	0.8
71.59911	0.9
72.08140	1.0
74.02457	1.1
79.05481	4.8
81.03414	3.9
83.04964	0.8
84.08135	1.1
85.02902	5.3
86.06052	1.0
88.56030	0.6
91.05477	22.1
92.05817	1.0
93.63659	0.5
95.04974	0.8
97.02868	0.8
99.04451	30.7
99.28320	0.6
100.04799	1.4
103.05438	4.7
105.07021	85.9
106.07368	2.2
106.63310	0.6
115.03927	0.5
115.05442	14.2
116.06269	3.3
117.07011	35.9
118.06525	3.6
118.07365	1.8
121.96632	11.6
127.03900	4.7
127.05389	0.7
128.04997	0.5
128.05185	0.7
128.06213	8.5
128.07083	1.2
129.07010	13.4
130.07780	54.9
131.07269	1.0
131.08084	3.0
137.98372	0.7
139.01819	0.7
143.08551	10.1
144.09001	0.7
144.98199	1.0
145.03928	1.1
145.05058	1.6
145.06487	9.5
145.10112	100.0
146.05978	3.6
146.06953	0.7
146.08081	0.9
146.09503	0.9
146.10512	6.3
147.08104	0.7
155.06020	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.9
53.82864	0.8
55.01865	5.2
55.05488	0.8
55.65351	0.7
56.96558	5.9
57.03429	5.7
59.82108	0.9
62.92984	11.7
67.05492	2.9
69.03420	3.8
71.01347	1.8
71.04988	21.8
71.55561	1.4
72.04501	1.9
72.08160	1.4
74.02423	2.0
76.99742	1.7
79.05514	3.8
81.03413	8.7
82.03769	0.7
82.06568	1.0
83.04931	0.9
84.99249	1.3
85.02899	8.2
86.00640	3.4
86.06064	2.5
90.03481	1.0
91.05473	21.7
93.03677	1.2
97.02881	1.8
99.04448	48.6
100.04006	1.0
100.04797	1.9
100.07638	1.4
101.02369	2.2
103.05461	6.1
105.07021	87.7
106.07355	3.1
110.03168	0.8
115.03997	0.7
115.05444	15.1
116.06250	3.7
116.98557	1.3
117.07005	36.1
118.06525	6.9
118.07277	1.5
119.92868	0.9
121.96629	22.7
122.96413	1.1
127.03893	8.0
128.04916	1.5
128.06215	8.4
128.07050	1.3
128.97888	0.9
129.07005	14.3
130.07784	53.4
131.08142	1.3
137.98328	1.2
138.75125	0.7
139.01801	1.4
143.08542	9.6
144.98195	1.9
145.03970	1.4
145.05029	2.7
145.06482	9.2
145.10110	100.0
146.06017	6.3
146.08061	1.3
146.10487	4.2
146.99580	0.9
147.08023	1.4
155.06024	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0649
Annotation	1-Naphthol
Peak:m/z	Relative Intensity
51.83775	1.3
53.03935	4.7
55.01863	3.5
57.03421	2.2
62.92994	11.7
64.06116	1.2
67.60799	1.4
69.03425	3.1
70.83877	4.1
71.05000	14.1
81.03426	4.4
85.02895	3.8
86.06061	1.6
87.04476	7.1
91.05486	44.9
95.04950	3.5
96.47619	1.3
99.04456	27.4
100.04733	1.6
105.03400	9.8
105.07023	2.9
115.05460	100.0
116.05675	1.8
116.06319	3.3
117.07026	99.9
118.06549	3.8
118.07365	4.7
121.96648	14.9
127.03909	3.5
144.98241	3.0
145.06485	72.2
146.05899	2.5
146.06837	4.0
146.07985	1.6
153.06087	1.3
155.06009	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	145.0646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.9
55.01869	4.4
55.05511	1.7
56.05025	0.9
56.96566	0.7
57.03435	4.0
58.06585	0.8
59.69443	0.7
61.72812	0.7
62.92979	1.6
63.18316	0.7
65.03938	0.9
67.01850	0.8
69.03416	3.4
69.49611	5.4
69.50021	1.3
71.04993	23.4
72.08149	3.3
81.03410	7.8
84.02573	0.7
84.04504	0.8
84.08166	1.1
85.02921	4.8
86.03243	1.1
86.06084	1.3
89.03929	0.8
91.05479	43.5
92.05796	1.2
95.04956	2.7
97.02890	1.2
99.04450	50.1
100.04781	1.3
101.02405	0.9
103.05446	1.5
105.03377	6.0
105.07016	2.2
115.05452	100.0
116.05755	3.4
116.06332	2.3
117.07015	96.6
118.06540	4.8
118.07364	4.9
121.96648	3.7
127.03914	7.3
127.05422	2.2
128.05063	0.7
128.07074	1.0
130.07753	1.3
139.01805	0.8
144.05794	0.9
145.05128	2.4
145.06480	82.8
145.10115	1.8
146.05940	2.4
146.06989	3.8
146.07968	1.1
155.06059	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	145.0648
Annotation	2-Naphthol
Peak:m/z	Relative Intensity
50.73925	0.2
53.03948	1.7
55.01868	1.4
55.05508	0.4
56.96568	1.3
57.03439	1.3
62.92987	1.0
65.03970	0.3
67.05515	0.3
69.03426	0.7
70.37383	1.0
71.01345	0.3
71.04994	6.4
72.05342	0.3
72.08157	1.7
75.54775	0.2
78.01283	0.3
78.81577	0.2
81.03420	2.2
83.04992	0.4
84.08120	0.4
84.99265	0.4
85.02911	1.3
86.06081	0.8
87.04496	0.4
91.05482	10.1
92.05826	0.6
95.04965	1.0
97.02903	0.3
99.04456	13.9
100.04807	0.6
103.05467	14.7
104.05797	0.2
105.07035	1.2
112.11288	0.3
115.05454	24.0
116.05711	0.8
116.06319	0.7
117.07017	67.3
118.06551	1.2
118.07358	3.4
121.96668	1.3
126.04633	0.4
127.03995	1.5
127.05434	7.7
129.54764	0.2
130.07755	0.6
131.04939	0.7
144.05701	1.1
145.06483	100.0
146.06873	5.3
149.37062	0.3
155.06039	39.1
156.06439	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0647
Annotation	1-Naphthol
Peak:m/z	Relative Intensity
53.03939	2.8
55.01869	1.9
55.05499	1.0
56.96563	5.8
57.03427	1.8
62.92993	3.2
69.03421	2.3
69.73853	2.6
69.74255	1.8
71.04629	1.1
71.04989	8.5
72.08157	0.7
79.05477	0.8
81.03413	3.1
85.02906	2.8
87.04494	0.8
91.05476	44.4
92.05803	0.9
95.04974	2.1
97.02872	1.6
99.04448	19.6
101.02386	0.9
101.06031	0.7
102.04681	1.1
103.02314	2.8
103.05458	2.2
105.03387	7.3
105.07022	8.7
115.05448	97.9
116.05696	2.4
116.06270	2.7
117.07009	100.0
118.00347	0.7
118.06522	5.2
118.07345	4.7
121.96626	4.9
127.03899	3.3
127.05411	1.2
128.06252	0.9
129.06946	1.8
130.07771	4.6
143.08542	1.1
144.05617	0.8
145.06474	91.8
145.10126	10.4
145.75452	0.9
146.05826	3.1
146.06989	3.6
155.06015	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	145.0648
Annotation	2-Naphthol
Peak:m/z	Relative Intensity
51.02390	0.7
53.03950	4.1
53.43846	0.4
55.01881	2.6
55.05514	0.6
56.96553	0.8
57.03439	2.5
58.06625	0.5
59.05007	0.5
62.92992	2.8
69.03419	2.4
70.01572	2.3
71.01334	0.8
71.04993	13.2
72.08160	2.2
73.02916	0.5
81.03423	3.9
83.01337	0.6
84.04489	0.6
84.08147	1.1
84.99271	0.6
85.02918	3.8
86.03250	0.7
86.06092	1.0
91.05480	12.0
91.06018	0.9
95.04987	1.2
97.00781	0.8
97.02863	0.8
99.04454	26.7
100.04801	0.6
100.07610	0.5
101.02357	1.3
103.05463	14.8
104.05837	0.6
104.39034	0.5
105.07032	3.4
112.11238	0.6
114.57666	0.4
115.05450	24.8
116.05682	1.0
116.06327	0.8
116.13312	0.5
117.07016	68.6
118.06538	3.2
118.07365	3.5
121.96630	4.2
127.03960	3.2
127.05434	8.3
128.07074	0.9
129.07021	0.8
130.07785	1.7
131.04916	0.6
137.98395	0.8
139.01859	0.9
143.08498	0.5
144.05685	1.2
145.06482	100.0
145.10123	2.9
146.05960	1.4
146.06955	4.9
146.08011	0.9
155.06036	37.2
156.06364	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0648
Annotation	1-Naphthol
Peak:m/z	Relative Intensity
53.03947	6.7
55.01879	3.4
55.05516	0.8
56.05043	0.6
57.03442	3.3
59.04996	0.5
62.92990	1.7
65.03932	0.8
69.03432	2.2
69.35419	3.9
69.35828	1.0
69.71544	0.5
71.01357	0.6
71.04994	18.5
72.05331	0.6
72.08154	4.1
81.03419	6.7
82.03718	0.6
82.06580	0.6
84.04507	0.6
84.08146	1.1
85.02903	4.9
85.04036	0.7
86.06058	1.1
91.05482	31.3
92.05828	0.7
95.04964	1.4
97.02872	1.4
99.04456	39.1
100.04817	1.2
100.94777	0.5
101.02393	0.9
102.04670	0.7
103.05457	9.0
105.03385	4.9
105.07029	1.7
112.11256	1.0
115.05453	67.3
116.05764	2.3
116.06378	0.9
117.07018	92.6
118.06544	4.2
118.07371	4.3
121.96654	2.6
125.56610	0.5
127.03932	5.6
127.05417	5.8
128.07117	0.7
130.07761	1.1
135.72829	0.6
138.35062	0.5
139.01801	0.8
144.05690	0.8
145.06482	100.0
145.10132	1.7
146.05836	1.0
146.06940	4.8
146.08012	0.8
155.06038	21.5
156.06322	0.9
161.34511	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0647
Annotation	1-Naphthol
Peak:m/z	Relative Intensity
51.02373	0.5
53.03939	4.6
55.01859	2.7
55.05505	1.3
56.05024	1.0
56.96554	1.3
57.03429	3.0
57.03664	0.5
59.04996	0.9
62.92988	2.8
63.39030	0.5
65.15405	0.5
67.01834	0.6
68.05040	0.6
69.03411	3.2
71.01320	0.9
71.04984	13.6
72.03661	0.5
72.05307	0.6
72.08150	0.9
73.12305	0.5
74.02438	0.7
81.03410	4.7
82.06567	1.2
83.01328	0.5
83.04982	0.7
84.08141	0.7
85.02895	6.2
85.04020	0.7
86.09703	1.8
89.03908	1.5
91.05473	42.3
92.05796	1.5
95.04945	2.4
97.02879	2.0
98.21562	0.9
99.04443	31.3
100.07625	0.5
101.02412	0.6
101.06007	0.6
102.04652	0.9
103.05454	1.8
105.03378	8.6
105.04497	0.7
105.07036	7.8
111.91388	0.5
114.75029	0.7
115.05444	92.7
116.05736	2.6
116.06313	2.1
117.07005	100.0
118.06518	5.6
118.07337	4.5
121.96618	5.1
127.03901	3.3
127.05399	1.2
128.04961	1.8
128.06197	1.2
128.07042	1.1
128.97794	0.7
129.06989	1.2
130.07794	4.6
137.98317	0.9
139.01814	1.4
143.08495	0.9
144.05690	1.0
145.06468	86.9
145.10117	8.9
146.05957	33.2
146.06870	3.3
146.08115	0.8
155.06004	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0648
Annotation	1-Naphthol
Peak:m/z	Relative Intensity
51.02402	0.7
53.03745	0.7
53.03948	8.5
53.26146	0.8
55.01874	6.2
55.05507	0.9
56.96561	1.4
57.03444	5.3
58.06573	1.1
62.92978	3.4
65.03933	0.8
69.03442	4.2
71.01374	1.7
71.04995	26.9
71.13348	1.1
71.13673	0.8
72.08160	8.1
81.03420	8.6
83.01333	2.3
84.04494	1.1
84.08152	2.0
84.99295	1.0
85.02908	7.1
85.04042	1.3
86.06052	2.7
87.04443	0.8
91.05482	46.4
92.05836	1.3
95.04944	1.4
97.02872	1.3
99.04456	55.4
100.04805	1.9
101.02389	1.5
103.05459	3.0
105.03381	8.5
105.07049	4.4
112.11223	0.9
115.05457	94.9
116.05658	1.2
116.06283	3.0
117.07020	100.0
118.06538	9.4
118.07351	4.1
119.89117	0.8
121.96664	4.4
127.03909	7.9
127.05409	2.5
128.04979	1.7
128.06245	1.1
128.07135	0.8
130.07796	4.1
139.01794	1.7
145.05043	3.0
145.06485	79.6
145.10089	5.1
146.05898	6.7
146.06886	3.4
146.08008	1.4
149.53883	0.7
155.06049	6.0
160.69147	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01858	1.8
55.05498	1.2
56.04998	0.6
56.96561	4.3
57.03423	1.9
58.33651	0.6
62.92968	1.2
65.03918	1.0
66.49727	0.5
67.05491	0.9
69.03432	1.2
69.42885	0.5
70.86041	1.3
71.04987	6.5
72.08136	0.7
73.02924	0.6
74.02502	0.5
81.03410	2.5
83.04941	0.6
85.02894	2.4
86.99571	0.5
87.48746	0.5
89.03919	0.8
91.05474	37.9
92.05804	0.7
93.82270	0.6
95.04969	1.5
99.03824	1.2
99.04449	16.3
103.05458	6.5
105.03371	4.5
105.07011	2.9
115.05444	67.9
116.05627	1.1
116.06245	2.6
117.07006	68.4
118.06528	4.1
118.07341	3.9
119.04929	6.1
121.96642	2.1
127.03913	2.3
127.05425	5.4
128.04976	0.9
128.06186	1.2
129.06992	0.7
130.07764	1.7
134.68948	0.6
143.05409	0.7
144.05638	3.0
145.06474	100.0
145.10110	4.6
146.05870	9.1
146.06882	3.8
155.06023	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	145.0496
Annotation	Methylitaconate
Peak:m/z	Relative Intensity
53.03947	16.3
55.01872	9.8
55.05499	2.2
56.96558	3.7
57.03431	9.0
57.04556	3.1
59.06102	1.8
62.74770	1.6
62.92984	7.6
69.03426	17.2
70.97594	1.9
71.01351	2.0
71.04994	38.0
72.08155	34.2
73.02915	2.5
74.07194	5.2
77.78251	1.9
81.03408	14.3
83.01318	4.5
85.02913	18.9
85.04030	3.5
97.02897	7.9
99.04453	100.0
100.04764	3.5
101.02394	2.6
112.11288	2.0
117.07036	1.6
121.00803	1.9
121.96663	8.4
127.03889	15.0
127.23712	1.8
145.04985	5.1
146.05879	1.7
151.46651	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	145.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89216	1.7
51.11175	1.4
52.49113	1.5
53.03946	5.7
55.01855	6.0
55.05510	27.0
56.49809	1.5
57.03417	5.6
57.04559	8.7
58.06570	2.2
59.04986	6.1
60.04526	1.9
61.29887	1.6
69.03081	2.4
69.03428	29.4
71.01336	2.1
71.04993	10.7
71.09096	3.0
72.08156	100.0
74.06869	2.1
74.07206	23.9
81.03409	6.2
83.01334	4.7
83.04972	10.9
84.08131	13.5
85.02423	2.2
85.02908	21.8
85.88720	1.6
86.03226	4.2
86.06064	10.9
87.04462	11.0
97.02879	6.9
97.07655	2.8
99.04462	21.1
101.06023	17.0
102.09122	2.2
114.10268	2.6
121.01654	8.8
127.03921	3.7
128.10748	2.6
128.11827	4.7
139.02670	3.7
145.06860	2.0
145.10474	3.5
145.14470	3.8
146.09248	2.2
146.11816	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	145.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.5
55.01881	0.5
55.05518	0.3
56.96853	0.1
57.03453	0.5
57.99952	0.1
58.06625	0.3
59.06129	0.3
60.99626	0.3
62.00392	0.3
69.03452	0.3
70.06601	0.2
71.04995	2.4
71.56838	0.3
71.57207	0.2
72.08173	0.5
79.00678	0.5
81.03410	1.0
82.06590	0.2
84.99619	0.5
85.02909	0.3
85.04050	0.7
85.07661	0.3
86.06075	0.2
90.36871	0.2
91.05499	0.4
97.01682	0.2
97.02962	0.2
97.07589	0.2
99.04456	4.5
100.02483	0.5
100.07633	0.2
101.00881	0.7
103.00633	6.7
103.01262	0.3
103.02441	0.2
115.05479	0.2
117.07001	0.2
118.03537	0.8
118.06561	0.4
119.01928	10.5
120.02023	3.1
120.03278	0.7
121.01669	100.0
122.01179	0.3
122.01979	2.4
123.02099	0.4
127.03918	0.6
128.07133	0.2
135.03174	0.3
137.02954	7.3
138.03053	1.9
138.04277	0.6
139.02696	69.9
140.03041	1.5
141.03125	0.6
141.05064	1.3
142.03560	1.0
143.03624	0.2
144.03242	5.6
144.04320	0.3
145.03558	1.2
145.04863	0.3
145.06393	0.2
145.09761	0.4
146.05998	0.3
147.05045	0.2
157.06987	0.2
159.06215	1.0
160.04529	0.6
161.04733	0.3
162.04295	2.2
163.02660	0.3
163.04553	1.0
164.04660	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0654
Annotation	(+)-SQ 26517
Peak:m/z	Relative Intensity
50.06720	1.6
55.01864	2.9
57.03438	8.1
58.06560	1.8
60.04517	22.8
60.08145	1.9
69.03423	3.1
70.06572	1.5
70.77541	4.8
71.04985	3.0
72.08134	5.0
81.03394	1.9
84.04484	4.7
84.08130	2.0
85.02896	100.0
86.03197	2.9
86.06047	1.9
98.06038	1.6
98.20888	1.9
99.04446	7.0
102.00968	2.9
102.05520	4.1
102.09180	9.5
103.00593	3.3
119.01917	8.5
120.01997	21.4
121.01666	17.1
126.05527	7.6
137.02908	5.0
138.03035	6.3
139.02690	4.4
144.05032	3.2
144.06546	26.1
144.10168	4.6
162.06113	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.6
55.01859	5.6
55.05506	14.6
56.02201	1.4
56.96558	1.4
57.03416	1.7
57.07073	12.5
59.04972	4.5
60.95845	4.3
61.27711	1.4
65.03928	1.6
67.05502	7.5
68.85690	1.1
69.03425	14.4
69.07056	3.6
69.49158	2.8
69.49574	8.3
70.06580	2.1
71.04990	71.3
72.04516	2.4
72.05310	1.7
73.03551	1.1
73.06554	7.5
74.06081	2.2
76.29527	1.3
79.05480	3.7
81.07045	4.3
82.06567	1.6
83.04974	6.4
83.08613	6.9
85.02903	7.2
85.06537	28.7
88.71538	1.2
91.05449	2.7
97.02900	8.3
97.10159	10.1
98.06046	3.0
98.20753	2.7
101.00862	1.6
102.96851	2.3
105.07039	1.6
107.08595	18.3
109.06530	1.5
111.07937	1.8
119.01900	6.1
120.96501	1.5
120.97884	3.3
124.04439	1.2
125.02323	7.3
125.09602	8.4
126.05466	1.3
128.06152	6.6
137.02946	1.6
138.98950	3.2
139.01819	5.9
143.03387	100.0
143.08453	1.5
143.10612	1.5
144.03682	4.2
144.06537	2.6
144.08064	4.9
155.06044	1.6
160.75418	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.0
55.05505	12.7
56.96553	1.5
57.03415	1.8
57.07073	12.7
59.04995	3.3
60.04524	2.2
60.95843	3.5
65.03927	2.0
65.64430	1.5
67.05499	6.7
68.56615	1.5
69.03429	11.8
69.07069	2.6
70.06585	1.7
71.04990	64.3
73.06560	7.1
79.05489	2.7
81.07046	2.4
83.04965	6.0
83.08614	5.8
85.02899	7.5
85.06544	27.4
85.58961	1.3
89.03898	4.2
93.48383	1.3
97.00809	2.6
97.02881	6.6
97.10172	7.9
98.06065	3.1
102.96881	1.9
107.08589	18.6
115.05413	2.1
119.01866	4.1
120.97851	2.2
125.02345	5.9
125.09611	8.8
125.43076	1.6
126.05590	1.8
127.00880	1.4
128.06221	9.7
136.86093	1.5
137.03018	1.5
138.98857	2.5
139.01820	3.6
143.03389	100.0
143.08478	1.9
143.10661	2.9
144.03696	2.2
144.06570	4.9
144.08080	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	143.0189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.6
56.05024	0.6
57.03438	0.8
58.99865	4.2
59.99928	0.4
67.01857	0.4
69.03431	3.5
70.06590	1.0
70.99864	2.5
71.43919	0.7
77.00909	6.2
78.01000	0.5
81.03401	0.4
81.04555	0.4
81.92155	0.3
82.99822	0.7
83.01386	0.3
84.04493	1.0
84.08139	1.4
85.02900	3.0
89.00900	1.6
95.01948	2.7
97.02899	3.2
97.07698	0.3
98.06076	1.6
100.52985	0.3
101.00878	17.9
102.00980	1.3
103.02431	0.8
105.00349	0.4
107.01926	0.5
115.02420	0.6
118.03503	0.4
119.01919	100.0
120.01997	7.3
121.01625	0.5
121.02438	0.6
121.03457	0.9
125.02344	3.5
131.01881	1.2
133.03465	1.5
137.02956	28.6
138.03050	2.3
142.03502	2.5
143.01929	1.3
143.03395	24.0
143.11792	0.5
144.06549	1.3
144.10194	0.8
160.04553	0.6
161.02957	4.8
162.03111	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
55.17318	0.5
56.05001	0.5
57.03433	2.5
58.06580	1.9
58.99853	2.9
59.07367	1.2
60.04517	4.8
60.08156	1.0
60.41400	0.5
61.67239	0.4
68.05002	0.5
69.03413	1.5
70.99845	1.8
71.59060	0.4
71.59466	0.4
77.00905	4.7
80.38192	0.4
81.04543	5.2
82.99836	0.6
83.06108	0.5
84.04494	1.3
84.08134	0.9
85.02897	26.0
89.00890	1.5
95.01920	2.1
95.06076	2.3
97.02881	2.2
97.07655	0.8
101.00867	16.0
102.05534	1.0
102.09174	3.2
105.00350	0.4
118.03510	1.1
119.01910	100.0
120.01984	7.8
125.02348	1.6
125.07103	1.8
126.05511	2.5
133.03436	1.0
137.02946	33.0
138.03076	2.5
142.03514	2.7
142.30820	0.5
143.01950	2.3
143.03391	12.1
143.08147	1.8
143.11778	6.5
144.01999	0.5
144.05171	1.1
144.06531	10.3
144.07594	0.8
144.10161	4.5
145.03503	0.5
160.04530	0.9
161.02962	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	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10850	0.9
55.01868	1.8
55.05504	1.4
56.05030	4.2
56.96554	2.7
57.03416	1.0
58.06602	5.8
59.04871	3.3
59.06127	1.4
60.04522	2.9
66.03448	1.8
68.05025	2.7
69.03430	2.9
69.07067	2.1
70.06594	3.9
70.99857	1.4
71.02646	1.8
71.02989	1.8
71.04989	1.3
71.07368	1.0
72.08150	2.4
74.06056	1.2
77.00903	2.1
78.72530	1.2
81.03417	2.0
81.04538	2.9
82.05318	1.0
82.06586	2.2
82.91369	1.2
83.06099	3.8
84.04527	1.5
84.08139	4.5
85.07669	16.0
86.06077	1.4
86.08434	1.0
87.06713	3.2
96.04453	1.2
96.08147	2.6
97.02914	2.4
97.07687	1.0
98.06071	1.1
98.09718	1.3
99.04504	2.0
100.02492	1.0
101.00885	14.4
101.07139	1.2
110.07150	1.8
114.05540	5.6
118.03526	8.9
118.96706	1.2
119.01923	100.0
120.02027	3.0
124.08665	1.7
125.02365	2.8
125.07104	1.1
125.10769	1.4
127.92420	1.0
131.01910	1.8
136.04567	7.0
137.02954	46.4
138.03070	1.4
142.03514	13.7
142.04930	3.9
142.08701	1.8
142.09781	2.8
142.12357	2.0
142.13420	7.9
143.01994	1.6
143.03409	18.7
143.05649	15.2
160.04562	6.0
161.03003	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	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55253	2.0
60.73841	2.1
60.74142	2.4
63.45676	1.9
71.36388	3.4
91.64977	2.0
96.42927	2.2
101.00877	14.5
118.03506	10.8
119.01923	100.0
120.02003	4.2
134.08894	2.5
136.04559	12.4
137.02956	51.6
138.03075	2.4
142.03508	14.3
160.04608	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	141.0098
Annotation	3-CHLOROBENZALDEHYDE
Peak:m/z	Relative Intensity
50.01586	1.3
51.02379	6.1
53.03700	1.2
53.03947	23.9
54.85866	0.7
55.01865	2.0
56.96548	1.2
61.60318	0.6
69.07066	1.6
69.71865	4.7
75.02374	1.2
77.03923	6.8
78.04712	5.2
79.01844	0.7
80.42576	0.6
81.03413	2.1
83.05138	0.7
87.00005	3.6
95.04967	48.8
96.05258	1.0
98.21388	0.9
98.97587	2.8
99.97908	1.5
105.03391	1.6
105.04519	11.0
106.04160	2.3
110.99967	0.9
111.04438	0.6
113.01558	32.3
114.01872	0.8
116.98603	2.2
117.98981	1.6
129.01038	8.0
129.51834	0.7
130.85977	0.7
134.99643	1.8
135.99989	1.7
139.00562	7.2
141.01015	100.0
142.01358	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	140.0817
Annotation	4-Amino-5-hydroxymethyl-2-methylpyrimidine
Peak:m/z	Relative Intensity
53.07590	1.7
54.03460	2.9
55.05500	1.8
56.05022	3.9
56.96562	14.1
57.04556	23.7
57.93559	6.7
58.02955	26.3
59.06114	2.9
65.98248	1.6
66.27805	1.6
68.05012	2.7
70.06590	2.7
71.06094	5.1
72.04502	2.0
81.04517	6.4
82.06567	2.0
84.04485	2.0
94.06548	5.4
95.04977	2.2
95.06073	3.8
97.07668	2.7
98.07173	100.0
98.09659	3.4
98.97565	13.4
99.05571	22.1
113.02391	2.2
113.07121	3.0
116.97231	7.0
116.98611	19.3
118.18236	1.7
122.06119	3.7
122.07142	49.3
123.05562	1.9
134.99655	39.3
138.05458	3.7
139.98761	1.8
140.00293	2.1
140.07124	2.6
140.08167	24.8
140.11838	6.0
141.01833	1.7
141.06656	1.7
153.00694	12.8
158.01265	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	139.0389
Annotation	Salicylate
Peak:m/z	Relative Intensity
51.63369	0.2
53.00296	0.3
54.03456	0.9
54.98661	0.3
55.01854	0.5
55.05512	0.5
56.04825	0.2
56.05037	2.6
56.96563	9.3
57.04538	0.3
57.93565	1.2
58.02946	0.3
58.06578	0.4
59.06115	0.6
59.86497	0.2
60.20638	0.2
65.03940	13.2
66.04254	0.6
67.05489	0.6
68.05013	0.8
69.03428	0.7
69.04536	0.4
69.07049	0.4
70.06577	0.4
70.81656	0.5
71.06112	0.7
71.95259	1.3
72.04501	0.4
80.05010	0.5
80.14190	0.2
81.04533	1.0
81.17559	0.2
82.02907	0.3
82.05315	0.4
83.04964	0.8
83.06094	1.6
84.04479	0.5
89.14539	0.2
93.03403	4.8
93.07024	0.7
94.06561	0.4
95.04967	1.0
95.06073	1.3
95.92812	0.2
96.04504	0.5
96.05621	1.3
97.02856	0.4
97.03942	0.3
97.06461	0.9
97.07641	0.7
98.03658	0.6
98.06071	0.4
98.07179	2.8
98.97580	13.4
98.98454	0.4
99.05592	1.1
110.15427	0.2
111.04434	11.2
112.04749	0.4
112.07609	0.3
112.08710	0.7
113.07185	0.4
116.97340	2.8
116.98614	18.1
121.02863	100.0
122.03185	4.5
122.06105	0.3
122.07156	1.6
123.05560	1.9
134.99654	18.7
139.03914	3.6
139.05843	1.0
139.07565	0.4
139.08734	0.4
139.09752	1.4
140.00153	0.5
140.08160	2.9
141.06549	0.3
148.96156	0.3
153.00699	5.2
158.01251	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0913
Annotation	Tyramine
Peak:m/z	Relative Intensity
53.03937	1.9
56.96556	2.7
65.03945	1.3
70.72702	1.9
70.73084	1.7
75.33572	0.8
77.70139	0.9
91.05486	9.2
92.05836	5.3
93.07040	16.8
94.06554	5.6
95.04961	3.4
96.04472	1.0
97.03960	1.3
98.97528	1.4
103.05472	10.3
105.04537	1.0
110.06036	5.2
120.05248	2.1
121.02865	2.0
121.06498	100.0
122.06843	4.5
134.73228	0.8
138.05542	22.3
138.06502	2.6
138.15340	0.8
156.51814	1.0
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	N-Methylnicotinate
Peak:m/z	Relative Intensity
51.02373	0.3
53.03943	0.8
54.03454	0.3
55.01868	0.6
55.05507	0.5
56.03764	0.3
56.05038	0.4
56.96569	0.7
65.03927	1.7
67.05507	1.3
68.05025	2.5
69.03414	0.5
69.04554	0.7
70.02955	0.8
70.06594	0.3
71.33266	0.5
72.04505	0.4
78.03442	2.7
79.02955	0.4
79.04214	2.3
79.05509	0.3
80.05022	1.9
81.04528	0.4
81.05792	0.2
82.02929	0.4
82.06579	1.1
82.07362	0.2
83.06104	1.1
92.04994	1.0
93.03400	0.2
93.04524	0.3
93.05794	0.8
93.07045	0.7
94.06570	2.3
95.04986	0.7
95.06088	0.9
96.04488	33.3
97.02872	0.4
97.04006	0.6
97.04815	0.7
97.06521	0.3
97.07641	1.1
98.04807	0.9
98.07167	0.4
98.98461	1.0
105.42276	0.3
106.02906	0.6
108.04475	6.6
109.05254	0.8
110.06045	2.2
111.03191	1.8
111.04427	1.5
111.05553	2.1
119.10996	0.2
120.04472	1.9
120.05546	0.7
121.02891	0.7
121.03986	0.5
121.06490	0.2
121.07642	0.6
123.06808	0.4
124.03949	5.0
138.05498	100.0
138.10194	1.6
139.04030	0.5
139.05869	3.3
139.07478	0.3
139.09749	0.9
143.96762	0.2
154.04977	1.1
154.51500	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0549
Annotation	Trigonelline
Peak:m/z	Relative Intensity
50.25269	0.3
53.03932	1.1
56.48455	0.3
65.03945	1.6
67.05508	1.5
69.38045	0.3
70.09996	0.6
70.10391	0.7
78.03451	0.5
79.04204	0.5
82.06577	0.3
92.05002	4.3
93.05792	1.1
93.40765	0.2
94.06565	27.5
95.06895	0.6
96.04497	4.7
97.42546	0.2
110.06041	22.7
111.06351	0.7
117.50381	0.3
133.01692	0.3
133.03450	0.5
133.76047	0.3
138.05496	100.0
139.05869	3.7
154.04982	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	ALPHA-PHELLANDRENE
Peak:m/z	Relative Intensity
53.03942	2.9
55.05514	7.7
57.07073	10.0
65.03941	2.7
67.05506	34.7
68.04994	1.0
68.05821	0.9
69.03432	1.0
69.07075	8.1
71.59486	1.1
79.05495	12.7
81.03404	1.3
81.07057	65.6
82.07403	1.3
91.05475	6.0
93.07043	10.0
94.04167	7.2
94.06570	2.3
95.04408	1.3
95.04977	3.1
95.08606	100.0
96.04479	0.8
96.08946	3.9
96.09638	0.9
107.04971	1.6
107.08532	1.0
109.06509	5.1
109.10162	8.2
110.06042	2.6
120.04479	1.1
122.03637	2.7
122.07271	5.8
133.42914	0.8
137.02496	7.1
137.05891	6.4
137.09610	5.2
137.13251	7.0
137.47026	1.1
138.01785	3.5
138.05501	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	137.1325
Annotation	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03943	2.2
54.03468	1.3
55.01863	0.9
55.05509	7.2
55.93526	0.9
56.03778	1.2
56.05024	0.9
56.96556	1.8
57.07073	7.7
65.03933	4.0
66.04717	3.9
67.05500	32.2
68.05019	2.0
68.05845	1.2
69.03416	1.7
69.04552	3.2
69.07067	6.7
70.02938	0.9
71.00072	1.8
72.04516	1.7
79.05489	10.0
80.04994	1.2
81.03419	1.5
81.04555	3.1
81.07052	52.8
82.06574	2.5
82.07385	2.0
83.04965	0.6
83.06096	1.8
91.05475	9.2
92.04998	1.2
92.05818	1.1
93.07040	8.3
94.04187	24.7
94.06568	6.7
95.04452	0.8
95.05002	4.6
95.06081	2.0
95.08598	100.0
96.04475	2.3
96.05602	2.0
96.08938	4.2
97.03996	0.9
97.06393	7.0
97.07639	2.0
98.04770	1.9
107.04930	2.8
107.08564	1.2
109.06543	3.7
109.07610	0.7
109.10144	7.0
110.06038	7.5
110.07150	5.9
110.09698	0.7
111.05515	2.9
111.06771	0.5
119.04924	1.5
119.08596	1.2
120.04465	2.1
120.05566	1.8
121.02859	2.1
121.03983	1.0
121.06458	0.7
121.07608	1.6
122.03638	33.2
122.07278	2.9
123.03973	1.4
128.95113	0.7
137.02406	2.1
137.04587	3.3
137.05954	49.4
137.08063	3.0
137.09619	3.8
137.10516	0.8
137.13237	7.8
138.01823	0.8
138.05501	32.9
138.06500	5.7
138.09140	1.4
138.10254	2.9
154.04890	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	ALPHA-PHELLANDRENE
Peak:m/z	Relative Intensity
53.03951	3.8
53.57352	0.6
55.01867	1.5
55.05511	8.2
56.96560	3.3
57.07079	7.4
60.50995	0.7
60.68692	0.6
65.03932	3.0
67.05506	46.7
68.05833	1.5
69.03430	2.6
69.04568	1.3
69.07066	7.7
70.05008	0.7
70.18428	1.3
70.18816	1.5
71.04968	0.7
72.95805	0.6
79.05496	15.8
80.05012	0.9
80.05830	1.0
81.03443	1.5
81.07058	69.0
82.06584	1.4
82.07386	2.5
83.04985	1.3
91.05484	16.9
92.05009	1.1
92.05799	0.8
93.07043	14.2
94.04180	5.9
94.07366	1.0
95.04979	8.6
95.08607	100.0
96.04475	2.1
96.05647	1.5
96.08942	4.1
97.06413	2.5
105.04509	0.7
107.00199	0.9
107.04955	1.5
107.08629	1.3
109.06522	8.5
109.07637	0.7
109.10155	10.6
110.06058	2.2
110.07166	2.8
111.05573	0.9
116.59441	0.8
117.07022	0.8
119.05006	1.1
119.06017	0.7
119.08585	4.6
120.04485	1.4
121.02873	2.7
122.03650	3.2
122.07304	2.1
123.06801	1.0
137.02524	5.7
137.03374	1.0
137.05904	6.2
137.07106	0.7
137.08075	1.3
137.08609	1.0
137.09618	14.2
137.13245	5.3
138.01778	2.9
138.05554	5.8
138.06567	1.3
138.09099	1.4
138.10103	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	ALPHA-PHELLANDRENE
Peak:m/z	Relative Intensity
53.03937	3.5
53.91684	0.5
55.01871	1.2
55.05512	6.5
55.93524	0.9
56.61905	0.6
56.96564	5.5
57.07072	13.0
57.95188	0.6
63.41373	0.5
65.03938	3.3
66.04720	1.7
67.05502	34.5
68.05010	1.1
68.05816	0.8
69.03424	1.9
69.04555	0.9
69.07067	8.4
69.72690	2.2
69.73098	1.3
79.05489	12.6
80.04943	0.8
80.05807	0.7
81.03407	1.6
81.04554	0.7
81.07054	81.3
82.06563	0.9
82.07393	2.6
83.06115	0.7
85.09634	0.5
88.99130	0.9
90.14644	0.6
91.05473	7.5
92.05006	0.7
92.05805	0.9
93.05775	0.6
93.07043	8.9
94.04185	8.0
94.06553	2.2
95.04976	4.8
95.08603	100.0
96.04482	1.4
96.05589	0.9
96.08935	5.1
97.06403	2.5
98.04791	0.7
105.97135	0.6
107.04972	1.2
107.08585	1.3
108.09356	1.0
109.06519	2.8
109.10157	7.7
110.06067	2.8
110.07139	2.0
110.10489	0.6
119.08521	0.7
120.04465	2.0
121.02851	1.4
121.06493	1.1
122.03651	11.2
122.07268	2.7
122.10838	0.6
123.06834	0.7
128.95059	0.7
135.04401	1.2
137.02414	2.7
137.04878	0.7
137.05936	15.8
137.08102	2.0
137.09642	5.6
137.13249	10.3
138.01758	1.1
138.05505	11.3
138.06512	2.2
138.09100	1.3
138.10139	0.9
138.13539	0.7
144.21254	0.6
145.19583	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.67834	0.4
53.03931	1.7
54.03463	0.8
55.01862	0.8
55.93517	0.7
56.03756	0.5
56.96553	1.4
60.99635	0.3
62.17315	0.4
63.94385	0.4
65.03937	5.7
66.04720	2.2
67.05496	4.6
68.05011	0.9
69.04547	1.3
70.06561	0.4
70.74103	0.9
70.74433	0.4
72.04498	0.7
79.05486	9.6
80.05018	0.6
81.03401	1.4
81.04548	2.6
81.07050	15.0
82.06556	1.2
82.07339	0.6
83.06091	1.0
91.05476	19.3
92.04993	1.1
92.05800	0.9
93.07038	1.1
94.01771	0.4
94.04179	22.9
94.06564	3.3
95.04433	0.7
95.04984	3.6
95.06058	1.0
95.08602	2.2
96.04480	0.9
96.05589	1.5
97.06396	4.3
97.07668	0.8
98.04798	0.6
107.04950	11.9
107.07349	0.8
108.04468	0.4
108.05237	0.8
108.12513	0.4
109.05345	0.5
109.06512	11.6
109.07300	0.5
109.07626	0.8
109.10133	1.1
110.06049	4.9
110.07182	4.8
110.07895	0.8
111.04427	2.2
111.05561	0.6
119.04933	1.4
119.06074	1.0
119.08569	0.8
120.04466	0.7
121.02860	45.1
121.06445	1.0
121.07644	0.4
122.03652	31.4
122.07268	2.9
123.02050	1.5
123.03985	1.3
132.02594	0.5
137.02513	2.0
137.05963	100.0
137.09590	3.1
138.05481	16.3
138.06410	4.1
138.09125	1.3
138.10263	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03929	1.6
58.96074	1.2
66.04717	13.0
66.72101	1.3
67.05523	1.1
70.22102	5.0
70.22475	2.1
77.03915	1.3
79.05479	4.0
81.07037	2.6
91.05482	4.7
94.04185	77.6
95.05015	2.2
106.09843	1.3
107.04952	2.4
122.03648	89.2
123.03995	2.4
137.05977	100.0
138.06323	5.1
155.51599	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02371	0.7
53.00304	0.7
53.03949	2.9
55.01862	1.6
55.05508	1.3
56.96562	0.9
57.07079	1.4
65.03944	4.0
66.04722	13.6
67.05164	0.8
67.05504	7.2
67.26456	0.4
69.03430	1.0
70.66458	1.7
77.03934	0.9
79.05489	7.8
80.55054	0.5
81.03408	3.1
81.07061	8.8
82.06571	0.6
91.05478	9.2
93.07044	2.6
94.04185	82.4
95.04529	1.1
95.04993	7.6
95.08037	1.0
95.08608	8.9
96.04482	0.9
104.04486	0.5
105.03394	0.9
105.04494	0.7
107.04967	3.7
109.06532	4.4
109.10165	2.0
110.06035	1.6
110.07166	0.7
119.04935	0.6
119.08643	0.8
120.04474	1.1
122.03648	87.0
122.07251	2.9
123.04006	2.9
135.04442	1.5
137.02516	5.5
137.05974	100.0
137.09586	9.5
137.13214	0.6
138.01765	1.9
138.05447	3.4
138.06364	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02377	1.3
53.03952	5.5
54.03472	6.2
55.01876	4.1
55.05506	3.0
56.03766	2.6
56.05022	2.4
56.96556	4.5
57.03421	1.0
58.06590	0.8
59.06118	1.0
64.55196	0.8
65.03943	9.4
66.04727	8.9
67.05168	1.2
67.05505	15.3
68.05040	4.0
68.99777	0.9
69.03429	2.8
69.04551	5.3
70.02948	1.5
70.06580	1.6
71.19222	1.5
72.04507	1.9
77.03918	0.9
79.02975	1.6
79.05490	14.0
80.05006	3.1
81.03447	4.8
81.04088	1.3
81.04539	19.1
81.07061	16.0
82.05331	0.9
82.06573	3.9
83.06103	3.9
84.08135	0.8
88.00034	0.8
91.05482	61.2
92.05001	1.4
92.05809	4.6
93.04533	1.4
93.05822	1.0
93.07050	8.3
94.04185	68.8
94.06566	5.5
95.04472	1.9
95.04984	13.9
95.06073	4.3
95.08620	9.8
96.04505	8.9
96.05637	7.1
96.06868	1.9
97.04010	2.1
97.06403	25.2
97.07071	1.8
97.07687	1.9
98.04792	3.4
99.62703	0.8
105.04486	1.7
107.04944	7.9
107.08642	1.3
108.04527	1.7
108.05290	8.1
109.02831	0.9
109.05797	1.2
109.06524	16.6
109.07652	2.8
109.10134	4.5
110.01428	1.1
110.06071	6.1
110.07172	21.3
110.07955	1.5
111.05562	7.4
111.32478	0.8
119.04954	12.2
119.05844	1.4
119.08588	2.0
120.04456	2.9
120.05556	3.9
120.08099	1.1
121.02884	1.8
121.03959	1.4
121.06525	2.1
121.07621	2.0
122.03652	71.7
122.07288	7.2
123.03846	1.3
123.04539	1.1
137.02493	8.2
137.05974	100.0
137.08202	12.0
137.09595	8.4
137.10666	1.4
138.01767	2.8
138.05495	37.3
138.06526	7.7
138.09192	1.5
138.10220	3.8
145.28629	0.9
154.04907	0.9
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
51.02386	0.5
53.03946	1.1
55.01860	0.8
65.03939	1.7
65.36385	0.3
66.04717	6.7
67.05492	0.9
69.03449	0.3
69.04538	0.3
69.46614	0.2
69.53561	1.7
69.53965	0.6
77.03922	0.8
79.05493	4.3
80.04996	0.3
81.04535	0.9
81.07053	2.3
91.05479	3.7
94.04182	52.2
95.04424	1.5
95.05050	1.8
97.06380	0.8
105.03384	0.6
107.04958	2.2
109.06532	0.7
110.07155	0.5
111.05576	0.5
122.03640	70.9
123.03953	2.4
135.04402	0.8
137.05969	100.0
138.05446	0.9
138.06328	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02386	0.4
51.96637	0.3
53.03942	1.1
54.03463	0.7
55.01878	0.8
55.93525	0.4
56.05025	0.4
56.96560	2.6
65.03944	2.9
66.04715	8.0
67.05489	2.3
68.05038	0.9
69.03422	0.7
69.04545	1.1
70.02916	0.5
70.20614	1.7
72.04512	0.6
77.03924	0.8
79.05491	5.4
81.03410	0.7
81.04524	2.2
81.07050	2.8
82.06570	0.7
83.06055	0.8
91.05475	6.4
92.05003	0.7
92.05828	0.7
93.07033	0.9
94.04177	51.9
94.06547	2.9
95.04500	1.5
95.05044	2.0
95.06083	0.8
95.08624	0.7
96.04491	0.7
96.05604	0.6
97.03999	0.4
97.06390	2.1
98.04818	0.5
102.60426	0.4
105.03381	0.9
105.04500	0.5
107.04948	2.2
109.02857	0.4
109.06521	1.8
109.07628	0.4
110.06031	2.9
110.07157	2.2
110.07846	0.5
111.04439	0.6
111.05574	1.3
120.04504	0.4
120.05610	0.9
121.02818	0.4
121.03979	0.9
122.03635	71.1
123.03954	2.7
135.04428	0.8
137.02431	1.5
137.05959	100.0
138.05469	14.4
138.06416	4.7
138.10236	0.6
140.28079	0.4
148.43457	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
52.01900	0.9
52.90343	1.0
53.03942	5.1
54.03472	10.3
55.01856	3.9
55.05503	2.2
56.03765	2.4
56.05019	4.5
56.96561	5.4
59.06106	2.0
65.03938	9.6
66.03468	1.5
66.04722	9.4
67.05501	14.3
68.05033	6.4
69.03415	3.1
69.04555	10.0
69.07066	1.2
69.17733	1.0
69.82872	5.8
70.02935	4.5
70.06583	2.3
72.04496	3.6
77.03915	1.4
79.02987	2.4
79.05129	1.2
79.05497	12.3
80.05036	4.6
81.03442	5.2
81.04537	31.8
81.05795	1.5
81.07058	17.6
82.02920	1.4
82.05302	1.3
82.06582	6.6
83.06105	7.4
84.08154	1.2
86.95896	0.9
91.05480	35.7
92.04984	3.2
92.05788	2.4
93.03432	2.0
93.04518	3.2
93.07040	9.6
94.04184	72.9
94.06567	6.4
95.04498	2.6
95.04998	16.4
95.06057	6.1
95.08604	10.8
96.04476	4.4
96.05630	13.0
96.06228	2.0
96.06882	1.8
96.08131	1.5
97.04009	2.6
97.06395	40.8
97.07682	5.5
98.04769	4.7
98.06686	1.0
105.04494	1.9
107.04942	5.6
107.06049	1.1
108.08154	0.9
109.02879	1.9
109.06512	21.7
109.07658	3.7
109.10135	3.8
110.03552	1.1
110.06079	8.9
110.07140	32.6
110.07957	2.4
110.09671	1.4
111.04408	3.0
111.05555	13.6
111.09168	1.5
116.59413	3.7
119.04913	6.1
119.05974	1.1
119.08577	1.9
120.04540	7.9
120.05571	7.4
120.08086	1.8
121.02851	2.0
121.03967	3.4
121.06501	4.0
121.07604	3.3
122.03648	71.2
122.07280	5.8
122.08118	1.0
123.03954	2.1
137.02499	13.7
137.04622	5.8
137.05959	100.0
137.08125	17.7
137.09581	7.2
137.10710	4.8
137.61749	1.0
138.01773	3.4
138.05470	17.4
138.06538	13.2
138.09106	3.3
138.10245	7.2
146.09659	1.1
150.64589	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0757
Annotation	2-Phenylacetamide
Peak:m/z	Relative Intensity
53.03945	0.8
54.03469	0.7
56.96553	0.9
60.44138	0.4
65.03936	1.6
67.02985	1.0
67.05505	1.1
68.05025	3.1
69.03428	1.8
69.04548	0.5
70.01501	0.3
70.84249	1.0
70.91865	0.3
71.52473	0.4
79.05492	1.2
80.05015	2.7
81.03400	1.2
81.04536	1.7
81.07046	1.5
82.06577	0.8
82.30950	0.3
83.06096	0.3
88.58239	0.3
91.05475	78.0
92.02486	0.9
92.04988	0.8
92.05812	2.8
93.05792	1.1
93.07047	0.9
94.04090	6.1
94.06559	1.5
95.04980	1.1
95.06079	2.3
96.05630	0.4
96.06876	3.0
97.06412	1.8
107.04934	3.7
108.04537	0.5
108.05331	1.1
108.08114	2.1
109.01125	1.6
109.05152	1.0
109.06526	3.5
109.07642	3.9
109.10128	0.5
110.07142	1.4
112.05047	0.7
117.05780	0.5
118.06535	4.2
119.03574	11.3
119.04922	17.9
119.05937	0.7
119.06108	0.8
120.05327	0.8
122.03627	3.0
131.01898	1.1
132.62714	0.3
136.02170	14.7
136.04088	2.5
136.06194	100.0
136.07564	19.6
136.08649	3.5
137.02393	1.3
137.04591	12.2
137.05969	5.8
137.08139	1.5
137.09613	0.6
137.10738	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0757
Annotation	N-Benzylformamide
Peak:m/z	Relative Intensity
50.26682	0.6
50.86248	0.7
53.03949	3.3
53.41695	0.6
54.03472	1.9
55.01867	0.9
55.05498	0.7
56.63451	0.6
56.96551	1.3
63.17500	0.6
65.03944	10.7
66.04718	1.2
67.05508	3.5
68.05020	2.9
69.03415	1.7
69.04552	1.5
70.67205	0.6
71.15752	1.2
71.70341	0.6
77.03939	0.7
79.05487	5.1
80.05019	5.8
81.03423	4.0
81.04550	4.3
81.05782	0.7
81.07050	6.0
82.06562	1.1
91.05478	48.4
92.02522	0.8
92.04997	10.5
92.05830	2.5
93.04521	1.0
93.05795	4.4
93.07053	3.8
94.02940	1.6
94.04169	22.3
94.06566	2.4
94.79530	0.7
95.04970	19.8
95.06068	3.5
95.08619	2.4
96.04488	0.9
96.05653	0.7
96.06889	5.6
97.06404	2.8
105.04516	1.1
106.06524	0.7
107.04958	3.0
107.07341	0.8
108.04498	10.2
108.05215	0.8
108.05602	1.0
108.08121	6.6
108.08831	1.1
109.01096	7.4
109.02895	0.9
109.05252	4.3
109.06503	8.8
109.07634	6.9
109.10197	0.8
110.06062	0.7
110.07156	3.0
111.04432	3.7
112.05067	1.0
117.05756	1.1
118.06551	5.7
119.03564	14.7
119.04916	9.0
119.05858	1.1
120.04498	0.7
122.03642	7.2
122.07271	1.7
131.01884	1.5
134.06024	2.6
135.06787	1.1
136.02165	48.7
136.03888	7.2
136.06190	100.0
136.07570	82.9
136.08563	4.7
137.02477	4.2
137.03497	1.1
137.04584	11.4
137.05971	14.1
137.07970	4.0
137.09630	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	136.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01569	0.5
51.02366	1.2
53.03940	6.7
54.03459	3.2
55.01854	2.1
55.04233	1.3
55.05489	1.2
56.05029	1.1
56.96562	3.5
61.94142	0.5
65.03933	6.1
66.03454	0.5
66.04719	6.1
67.01863	0.5
67.02972	2.0
67.05499	6.9
68.04659	0.9
68.05024	17.1
69.03427	3.9
69.04535	1.5
69.61388	1.7
69.61814	2.5
77.03912	2.4
78.04702	1.1
79.05486	7.9
79.13055	0.6
80.05005	6.6
80.05800	1.4
81.03400	2.0
81.04533	5.1
81.07052	7.7
82.05294	1.0
82.06555	2.0
83.06077	2.1
91.05473	32.6
92.05009	1.1
92.05825	4.1
93.04523	0.7
93.05786	8.3
93.07034	11.4
93.44142	0.7
94.04175	44.9
94.06537	3.0
94.07413	2.5
95.04966	21.6
95.06072	9.2
95.08595	3.1
96.04506	0.9
96.05650	1.2
96.06297	1.0
96.06870	14.0
97.06393	8.4
98.20736	1.0
105.03389	0.6
105.04486	3.3
105.07024	1.1
106.06614	1.2
106.07378	1.7
107.04938	4.4
107.08588	1.0
108.04503	3.1
108.08099	8.4
108.08909	4.0
109.01098	4.3
109.05199	0.6
109.06536	3.9
109.07634	12.5
109.10143	3.6
110.06006	1.1
110.07174	6.1
117.05790	0.7
118.06548	4.5
119.03535	6.3
119.04903	2.1
119.06055	2.5
119.08555	1.6
120.08891	1.0
121.06389	2.2
122.03639	64.1
122.07287	5.9
126.05497	4.2
131.01807	0.5
133.06506	0.8
135.04404	1.1
136.02158	38.6
136.03802	4.0
136.05188	2.1
136.06171	52.4
136.07552	50.7
136.08653	16.4
136.11099	1.3
136.12044	1.3
136.22148	0.5
137.02527	2.6
137.04628	5.2
137.05959	100.0
137.08081	5.0
137.09618	7.3
137.10657	0.9
154.04929	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
60.32357	0.3
61.37685	0.3
64.50865	0.4
67.02999	1.0
69.91124	1.5
73.15462	0.4
91.05496	0.6
92.02486	1.5
94.03507	0.6
94.04061	6.9
94.43512	0.4
109.05127	1.3
112.05094	0.5
119.03555	17.4
128.51497	0.4
136.02165	1.4
136.06190	100.0
137.03546	0.4
137.04591	10.1
137.06554	1.2
154.51662	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16907	0.4
70.17651	1.4
86.63817	0.4
92.02497	0.7
94.04047	4.2
109.05145	0.8
109.20393	0.4
119.03541	11.0
136.06183	100.0
137.04588	7.6
137.06506	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
67.02978	0.9
71.43773	0.4
79.02853	0.2
82.04057	0.3
88.99577	0.3
91.04974	0.4
91.05486	4.5
92.02487	0.9
94.04060	5.0
109.05127	1.1
112.05075	0.5
119.03552	13.9
119.04958	0.9
131.01915	0.9
136.06187	100.0
137.04593	10.8
137.05617	0.2
137.06625	2.3
149.02933	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0617
Annotation	Adenine
Peak:m/z	Relative Intensity
51.91621	0.1
56.96576	0.2
67.02972	0.5
70.95746	0.2
82.04028	0.2
91.05478	3.4
92.02493	0.7
94.04045	4.0
107.04957	0.2
109.05127	1.0
112.05090	0.5
119.03543	12.1
119.04927	0.8
120.03879	0.2
131.01877	0.2
136.06175	100.0
137.04582	9.5
137.06627	1.5
138.04993	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0616
Annotation	Adenine
Peak:m/z	Relative Intensity
51.74549	0.3
54.03453	0.8
55.01867	0.3
58.64487	0.4
58.66183	0.3
65.03927	0.7
67.02975	0.6
67.05508	0.4
68.05010	2.5
69.03426	0.5
70.77802	1.1
79.05470	1.1
80.05005	1.1
81.04541	1.8
81.07038	0.9
82.06552	0.6
85.11842	0.3
91.05479	4.4
92.02454	0.8
93.04479	0.4
93.05768	0.5
93.07045	0.8
94.04074	5.9
94.06541	0.4
95.04946	1.0
95.06080	2.0
96.05598	0.5
96.06881	2.6
97.06405	1.9
107.04939	0.6
108.04479	0.7
108.05396	0.4
108.08109	0.6
109.01103	0.6
109.05130	1.0
109.06493	1.4
109.07619	3.1
110.07166	1.7
112.05090	0.8
118.06498	0.5
119.03539	11.3
119.04939	0.7
119.06009	0.5
122.03625	3.0
122.07293	0.4
136.02167	6.6
136.06175	100.0
136.07469	3.5
136.08649	2.9
137.02393	1.0
137.04567	9.2
137.05956	5.0
137.06761	0.5
137.08189	1.3
137.09576	0.6
145.83046	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.7
53.06005	0.3
55.01848	0.4
55.05486	0.4
56.96567	1.6
57.03391	1.2
57.03642	0.4
58.06582	0.7
58.99866	3.6
65.03911	0.6
69.03406	1.0
69.64476	2.4
70.06560	0.9
71.02553	0.3
71.02992	0.3
71.04972	0.7
73.02892	0.7
77.00916	3.3
78.52955	0.7
80.04998	1.1
81.03403	0.5
81.07024	0.7
85.01407	0.5
91.05484	21.6
92.05811	0.4
93.07013	0.5
94.02914	0.7
94.04092	1.7
94.06559	0.5
94.99841	0.9
95.01331	0.5
95.01915	1.3
95.04939	0.7
95.08607	0.4
97.82507	0.3
100.02478	2.7
101.00854	0.7
102.02331	0.4
103.02447	3.1
105.00359	0.4
106.68387	0.4
107.04925	1.3
108.04459	1.2
108.08102	0.7
109.01083	1.5
109.06504	0.9
112.05064	0.6
113.00868	7.0
113.01641	0.5
114.00961	0.5
115.02438	0.5
118.03539	2.1
118.06554	1.5
119.01923	3.0
119.03566	4.7
119.04932	4.3
121.03477	2.4
122.03632	0.4
130.18901	0.3
131.01909	100.0
131.39735	0.3
132.02008	6.7
132.05095	0.4
133.01575	0.5
133.02510	0.5
133.03484	1.0
136.02177	10.9
136.04095	2.2
136.05103	2.0
136.06192	27.8
136.07567	4.1
137.02940	1.3
137.04568	3.7
142.03474	0.5
145.03462	1.5
147.01402	0.8
149.02963	41.7
150.03076	2.3
154.03499	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15716	0.4
53.03925	1.2
54.03452	0.9
55.05489	0.7
56.96564	2.9
58.99867	3.1
67.05470	1.5
68.05002	1.5
69.03400	1.1
69.04534	0.6
77.00903	3.8
79.05460	1.5
80.05006	1.8
81.03387	1.2
81.04517	1.4
81.07034	1.4
88.51688	0.9
89.01726	0.5
89.51564	6.5
90.01603	2.0
90.51443	8.4
91.05492	2.6
92.02625	2.5
92.05763	0.6
93.03372	0.6
93.05764	0.9
93.07034	1.8
94.04169	1.4
95.01931	2.0
95.04959	3.0
95.06074	2.2
95.08590	1.3
96.06850	2.2
97.06374	1.1
98.52065	1.1
99.51953	1.9
100.02512	3.3
101.02349	1.5
102.02248	2.3
103.02418	2.7
105.91665	0.5
107.08602	0.5
108.04458	1.5
108.08074	0.7
109.01090	3.3
109.02821	0.6
109.06512	1.3
109.07649	3.4
110.07145	0.8
110.52677	7.6
111.02753	1.4
113.00858	4.7
113.01558	1.0
115.01153	0.6
118.03532	4.4
118.06539	1.0
118.98445	0.8
119.01939	2.7
119.03588	1.4
119.53186	1.0
121.03475	2.2
121.06424	0.6
121.48723	0.9
122.02151	2.4
122.03506	0.6
122.07242	0.7
122.52265	0.7
124.52395	3.0
127.98935	6.3
129.99501	0.6
130.49223	2.6
131.01906	100.0
132.02023	5.9
132.05043	0.7
133.02284	1.2
133.52919	3.7
134.02975	1.3
136.02165	27.2
136.03914	1.7
136.05061	0.9
136.06136	4.5
136.07574	2.5
136.08696	2.8
136.11246	1.1
137.02414	1.8
137.05981	1.1
137.08229	1.1
137.09709	0.6
138.03096	1.0
138.99925	1.9
139.49741	28.3
139.99814	1.4
140.49580	0.7
143.61978	0.5
145.03482	1.3
147.05092	0.6
148.50406	0.8
149.02962	47.3
150.03130	3.1
150.06152	1.7
151.00546	4.8
154.03494	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	136.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.7
53.06005	0.3
55.01848	0.4
55.05486	0.4
56.96567	1.6
57.03391	1.2
57.03642	0.4
58.06582	0.7
58.99866	3.6
65.03911	0.6
69.03406	1.0
69.64476	2.4
70.06560	0.9
71.02553	0.3
71.02992	0.3
71.04972	0.7
73.02892	0.7
77.00916	3.3
78.52955	0.7
80.04998	1.1
81.03403	0.5
81.07024	0.7
85.01407	0.5
91.05484	21.6
92.05811	0.4
93.07013	0.5
94.02914	0.7
94.04092	1.7
94.06559	0.5
94.99841	0.9
95.01331	0.5
95.01915	1.3
95.04939	0.7
95.08607	0.4
97.82507	0.3
100.02478	2.7
101.00854	0.7
102.02331	0.4
103.02447	3.1
105.00359	0.4
106.68387	0.4
107.04925	1.3
108.04459	1.2
108.08102	0.7
109.01083	1.5
109.06504	0.9
112.05064	0.6
113.00868	7.0
113.01641	0.5
114.00961	0.5
115.02438	0.5
118.03539	2.1
118.06554	1.5
119.01923	3.0
119.03566	4.7
119.04932	4.3
121.03477	2.4
122.03632	0.4
130.18901	0.3
131.01909	100.0
131.39735	0.3
132.02008	6.7
132.05095	0.4
133.01575	0.5
133.02510	0.5
133.03484	1.0
136.02177	10.9
136.04095	2.2
136.05103	2.0
136.06192	27.8
136.07567	4.1
137.02940	1.3
137.04568	3.7
142.03474	0.5
145.03462	1.5
147.01402	0.8
149.02963	41.7
150.03076	2.3
154.03499	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.2
53.03952	7.8
55.01863	3.1
55.05509	12.1
56.96574	1.0
57.07071	1.1
64.20369	1.0
65.03944	6.8
65.04227	0.8
67.05507	46.4
68.04998	1.3
68.05780	1.2
69.03418	2.2
69.07070	8.5
69.91119	5.6
77.03915	1.3
78.80842	1.0
79.05498	80.9
80.05022	1.9
80.05830	2.8
81.06579	2.1
81.07059	38.0
82.07370	1.0
87.55031	1.1
91.05486	45.8
93.07048	100.0
94.02918	3.6
94.04041	1.7
94.06580	1.4
94.07365	3.2
95.04974	21.1
96.06876	1.4
105.04517	3.9
105.06403	1.1
105.07033	14.7
107.04960	13.4
107.06108	1.5
107.08601	55.9
108.04496	2.4
108.08130	2.5
108.08898	2.4
109.01120	11.1
109.06503	3.8
115.05450	2.8
117.07043	2.6
118.06536	2.2
119.03566	3.4
119.06048	1.3
119.08589	7.2
120.09378	1.9
133.10150	2.2
135.04477	6.3
135.05548	2.8
135.06549	2.0
135.07140	1.2
135.08072	22.1
135.08961	0.9
135.11699	42.5
136.02173	77.1
136.03766	8.5
136.05089	1.6
136.06189	34.9
136.07552	7.2
137.04602	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	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03945	7.7
55.01862	5.5
55.05507	12.4
56.96560	1.9
57.07061	1.2
58.00368	1.2
65.03943	3.3
67.01860	3.5
67.05492	9.4
68.05012	8.2
68.29501	1.2
69.03425	5.8
69.07055	2.1
71.59738	2.4
72.86074	1.2
76.38617	1.7
77.03954	1.7
78.03782	1.2
79.05486	44.5
80.05022	5.4
81.03432	1.4
81.04495	1.7
81.07034	6.6
91.05475	74.4
92.05814	3.3
93.05830	2.9
93.07036	62.3
94.04035	2.6
94.07339	1.7
95.04958	20.1
95.06066	1.9
96.06880	3.6
101.46605	1.2
103.05441	1.9
105.04531	2.4
105.07016	29.3
107.04946	21.1
107.08586	100.0
108.04476	2.8
108.08138	3.1
108.08916	5.2
109.01089	4.9
109.06497	11.7
109.07614	2.7
115.05472	3.9
117.07016	5.6
118.06539	4.2
119.03548	5.0
119.06060	2.7
119.08562	16.7
120.09361	3.1
133.10161	1.6
135.04416	9.4
135.05521	4.9
135.06497	2.8
135.08044	23.4
135.11687	32.9
136.02158	61.9
136.03922	4.6
136.05161	3.0
136.06183	62.0
136.07558	22.4
136.08653	6.1
137.04588	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	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02393	1.4
53.03949	7.5
55.01865	3.8
55.05513	13.0
63.91087	0.9
65.03934	4.5
65.04239	1.0
67.05505	45.0
68.05019	1.6
69.03409	1.9
69.07067	10.1
71.66152	1.0
79.05494	84.1
80.05025	3.0
80.05818	2.8
81.03415	1.5
81.06587	2.1
81.07057	35.7
82.07365	1.1
91.05482	47.5
93.07044	100.0
94.07877	1.3
95.04977	17.8
103.05462	1.3
105.04499	4.4
105.07040	13.0
107.04955	11.4
107.08595	58.2
108.04515	1.3
108.08156	1.6
108.08871	2.2
109.01112	8.2
109.06525	4.8
115.05458	3.5
117.07005	1.9
119.03555	2.9
119.06042	1.2
119.08550	4.0
123.97530	1.1
133.10127	1.8
135.04422	6.1
135.05522	2.6
135.06522	2.0
135.08063	20.1
135.11693	44.2
135.55013	1.0
136.02165	67.6
136.03931	3.8
136.06180	31.9
136.07504	2.5
136.08560	1.1
136.12030	2.2
137.04573	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	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02377	1.3
53.03945	7.5
54.04286	0.9
55.01876	7.9
55.05511	11.2
65.03931	3.8
67.05505	37.0
67.53366	0.9
68.05009	1.2
68.05840	1.4
69.03436	1.3
69.07072	8.3
77.03873	1.7
79.05492	79.4
80.04992	2.4
80.05807	2.7
81.06582	1.8
81.07056	30.1
82.07425	1.0
91.04910	2.1
91.05480	41.2
92.05799	1.2
93.07041	100.0
94.02914	1.3
94.04026	1.9
94.07345	2.2
95.04367	1.4
95.04967	18.1
95.15617	1.0
100.35536	1.1
105.04504	2.3
105.07039	8.5
107.04961	9.6
107.08590	53.4
108.08938	2.4
109.01102	6.0
109.06497	2.8
115.05442	1.6
117.06963	1.9
119.03549	2.2
119.06069	1.2
119.08578	2.6
126.54967	1.1
132.73155	0.9
133.10201	1.6
133.72478	0.9
135.04428	3.8
135.05511	2.1
135.08073	13.7
135.11690	36.5
136.02159	50.2
136.03937	5.1
136.06184	19.6
136.07550	4.4
136.08516	1.4
136.12061	1.2
137.04581	2.7
152.25722	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.7
55.01862	5.5
55.05507	12.4
56.96560	1.9
57.07061	1.2
58.00368	1.2
65.03943	3.3
67.01860	3.5
67.05492	9.4
68.05012	8.2
68.29501	1.2
69.03425	5.8
69.07055	2.1
71.59738	2.4
72.86074	1.2
76.38617	1.7
77.03954	1.7
78.03782	1.2
79.05486	44.5
80.05022	5.4
81.03432	1.4
81.04495	1.7
81.07034	6.6
91.05475	74.4
92.05814	3.3
93.05830	2.9
93.07036	62.3
94.04035	2.6
94.07339	1.7
95.04958	20.1
95.06066	1.9
96.06880	3.6
101.46605	1.2
103.05441	1.9
105.04531	2.4
105.07016	29.3
107.04946	21.1
107.08586	100.0
108.04476	2.8
108.08138	3.1
108.08916	5.2
109.01089	4.9
109.06497	11.7
109.07614	2.7
115.05472	3.9
117.07016	5.6
118.06539	4.2
119.03548	5.0
119.06060	2.7
119.08562	16.7
120.09361	3.1
133.10161	1.6
135.04416	9.4
135.05521	4.9
135.06497	2.8
135.08044	23.4
135.11687	32.9
136.02158	61.9
136.03922	4.6
136.05161	3.0
136.06183	62.0
136.07558	22.4
136.08653	6.1
137.04588	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.10270	1.0
53.03944	8.3
55.01853	1.8
55.05508	16.4
56.96552	1.4
65.03929	4.0
67.02983	1.6
67.05501	26.2
68.05019	3.8
69.03418	2.8
69.07063	9.2
72.18768	0.9
79.05486	79.8
80.04993	1.8
80.05820	2.5
81.03424	1.5
81.07053	26.9
82.07406	1.3
91.05471	44.5
92.05773	1.2
93.07037	100.0
94.04052	2.0
94.07356	3.1
95.04967	16.6
95.06032	1.5
96.06877	2.4
99.01357	1.1
105.04514	4.0
105.07030	10.6
107.04952	14.0
107.08585	73.4
108.04451	1.4
108.08117	1.3
108.08897	2.0
109.01089	3.0
109.06519	5.2
109.07642	1.8
115.05455	3.1
117.06994	3.6
117.16664	1.0
118.06538	2.2
119.03583	2.0
119.06049	1.8
119.08566	3.4
120.05710	1.4
120.09338	1.4
120.83990	1.2
121.05620	1.0
133.10158	1.4
135.04405	6.6
135.05464	2.4
135.06529	2.1
135.07027	1.4
135.08060	16.8
135.11679	53.4
136.01091	1.6
136.02155	29.0
136.03917	2.9
136.05116	2.4
136.06174	29.5
136.07555	9.6
136.08662	3.0
136.11984	2.3
136.69441	1.1
137.04614	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.8
55.05505	13.6
56.69778	1.1
58.21017	1.0
63.98097	1.2
64.50794	0.8
65.03931	4.0
66.37351	1.0
67.01849	2.6
67.02984	1.2
67.05496	8.9
68.05022	4.9
69.03430	1.8
69.07055	5.6
71.01696	1.0
71.59405	1.0
71.59772	1.1
77.03928	1.2
78.88683	0.9
79.05484	44.0
80.05013	1.3
80.05825	2.0
81.03398	1.2
81.07050	13.1
91.05472	50.6
91.77975	1.0
92.05826	1.8
93.07034	66.1
94.04047	2.1
94.06593	1.0
94.07347	2.9
94.07869	1.6
95.04966	10.9
95.06085	2.3
96.06863	4.1
105.04536	1.6
105.07021	20.0
107.04955	9.7
107.08585	100.0
108.08176	1.6
108.08868	5.1
109.06518	8.2
109.07649	3.9
115.05458	1.1
117.07014	2.4
118.06556	2.6
119.06047	3.7
119.08567	7.6
120.09354	3.2
133.10135	1.8
135.04445	2.5
135.05542	1.0
135.06580	2.2
135.08032	8.5
135.11678	27.1
136.02170	23.2
136.03903	2.2
136.05170	1.9
136.06169	26.3
136.07690	8.2
136.08682	5.1
136.12022	1.8
137.04568	2.9
150.87456	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.52908	0.8
53.00306	1.0
53.03949	4.3
55.05513	10.3
57.07067	0.9
59.45645	0.7
65.03930	2.2
67.02996	0.8
67.05489	3.5
68.05019	2.4
69.03426	1.2
69.07047	3.7
71.60310	1.0
77.03908	0.9
79.05491	21.4
79.21275	0.7
80.81963	0.8
81.03407	0.9
81.07055	4.1
91.05478	49.3
92.05792	0.8
93.07041	49.8
94.07339	1.2
95.04958	8.9
95.08629	0.8
96.06854	2.2
97.75003	0.7
103.05449	1.1
105.07032	20.2
107.04955	3.1
107.08593	100.0
108.08221	0.8
108.08923	3.4
109.06514	11.0
109.07604	1.6
115.69671	0.8
117.06977	2.2
118.06582	1.0
119.06057	3.6
119.08586	8.9
120.09344	3.1
133.10088	0.8
135.04428	2.0
135.08046	3.3
135.10689	1.0
135.11693	18.4
136.02170	8.4
136.06168	8.5
136.07578	2.8
136.08620	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02389	0.8
53.03940	6.7
54.03473	1.4
55.01869	2.6
55.04262	0.7
55.05505	9.6
56.05033	0.7
56.96555	4.4
57.07065	1.4
65.03926	4.6
67.02980	1.6
67.05499	4.1
68.05018	7.5
69.03423	2.7
69.07062	3.2
71.18629	1.5
75.05634	0.8
77.03934	0.9
78.04686	0.8
79.05486	33.9
80.04999	2.1
80.05809	1.3
81.03416	1.0
81.04508	1.7
81.07050	4.7
82.05311	2.3
82.06573	1.2
82.80984	0.8
83.06068	1.2
87.05581	2.3
90.01551	1.4
91.05472	80.3
92.04992	1.3
92.05798	1.9
92.06282	0.7
93.04506	1.1
93.07034	50.9
94.04079	0.8
94.06564	1.7
94.07368	2.2
94.07875	1.0
95.04960	16.2
95.06056	4.8
95.07336	0.7
95.08595	1.6
95.79989	0.6
96.06864	6.4
103.05470	2.5
104.06242	1.8
105.04514	2.7
105.07018	35.7
106.07275	0.7
106.07887	0.8
106.56319	1.2
107.04949	15.2
107.08583	100.0
108.04463	1.5
108.05553	1.1
108.08106	2.3
108.08916	3.9
109.01067	1.8
109.06509	15.2
109.07622	8.4
110.06831	0.7
113.57076	1.0
115.05424	3.1
117.07019	4.3
118.06519	1.9
119.03529	2.9
119.04821	0.6
119.06075	5.8
119.08573	22.5
120.09392	6.0
120.51254	1.5
124.05147	1.0
129.51746	1.0
133.10101	2.1
135.04395	6.0
135.05492	4.1
135.06561	3.7
135.08023	17.0
135.09052	0.9
135.10667	1.3
135.11673	26.9
136.01112	0.8
136.02155	20.9
136.03897	2.5
136.05016	1.6
136.06158	30.8
136.07539	10.3
136.08656	9.0
136.11108	0.9
136.12042	1.1
137.04544	2.7
137.09625	1.1
147.09099	0.7
154.05017	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.01813	0.6
51.02372	0.6
53.03943	5.1
54.03450	0.6
55.01859	0.9
55.05510	10.3
56.96556	1.3
57.07059	0.8
65.03933	2.9
67.02991	0.7
67.05509	4.6
68.05014	2.5
69.03426	0.9
69.07058	4.1
70.47160	2.4
77.03941	0.7
79.05486	23.9
80.05824	0.6
81.07056	4.4
91.05473	46.1
92.05782	1.3
92.06299	0.9
93.07040	44.0
94.04039	0.7
94.06535	0.8
94.07345	1.3
94.07874	0.7
95.04950	8.9
95.06073	1.5
96.06864	2.1
103.05479	1.1
105.04501	1.2
105.06304	0.6
105.07021	19.8
107.04952	5.0
107.08588	100.0
108.08205	0.8
108.08881	3.0
109.01099	0.8
109.06508	9.2
109.07656	2.3
115.05472	1.6
117.07008	2.5
118.06538	0.8
119.03538	1.0
119.06075	3.2
119.08577	9.2
120.09335	2.7
124.05231	0.6
128.56480	0.6
133.10155	1.1
135.04410	2.3
135.05496	1.4
135.06517	1.1
135.08063	5.5
135.11685	16.6
136.02162	12.8
136.03891	1.3
136.05139	1.3
136.06186	18.3
136.07588	4.2
136.08665	2.1
137.04575	1.1
145.88570	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.61968	0.9
53.03946	8.3
54.03461	1.2
54.98635	0.8
55.01858	1.9
55.05508	10.4
56.96551	2.5
57.07055	1.6
65.03937	3.9
66.62055	0.8
67.02972	1.3
67.05491	5.5
68.05022	7.6
69.03413	1.9
69.07064	3.3
71.59598	1.1
77.03909	1.3
78.04718	0.9
79.05485	26.3
80.05001	3.8
81.03402	1.1
81.04504	1.2
81.07052	4.7
82.06558	1.3
83.06100	0.9
91.05474	57.5
92.06257	1.4
93.05779	2.4
93.07038	66.7
94.06587	1.3
94.07326	1.3
95.04964	15.6
95.06080	4.3
96.06866	6.6
103.05463	1.3
104.06224	1.1
104.50219	0.9
105.04512	3.2
105.07024	26.9
106.07335	1.5
107.04955	10.7
107.08585	100.0
108.04438	1.8
108.08115	3.4
108.08905	4.9
109.01102	1.5
109.06502	9.5
109.07633	5.5
115.05460	2.1
117.06998	2.7
118.06541	2.6
119.03540	3.1
119.04914	0.8
119.06100	4.1
119.06801	1.0
119.08574	11.0
120.09371	4.0
126.05552	1.3
130.00951	1.2
133.10129	1.4
135.04492	5.8
135.05463	1.6
135.06476	3.5
135.08057	8.5
135.09996	2.1
135.11681	21.0
136.02148	25.9
136.03870	2.0
136.06177	33.8
136.07553	16.9
136.08667	7.5
136.12085	1.5
137.04576	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.71406	1.8
53.03934	10.6
55.01866	9.9
55.05511	15.5
56.96532	2.5
57.13891	1.8
59.94288	1.8
65.03934	6.8
67.05502	27.0
68.05012	7.5
69.03423	8.5
69.07057	7.5
69.26828	2.5
76.89084	1.9
77.03909	2.9
79.05487	87.3
80.05015	7.3
80.05814	2.8
80.30927	2.2
81.03422	2.5
81.07050	28.8
83.55593	2.7
90.01711	2.4
91.02952	2.1
91.05472	72.0
92.05771	2.3
93.05782	4.0
93.07036	100.0
94.04064	3.9
94.07355	3.4
95.04971	24.8
96.06874	3.1
96.37257	1.9
97.46571	2.3
101.12103	1.9
105.04533	4.9
105.07029	20.3
107.04938	21.3
107.06033	2.7
107.08588	87.3
108.04491	3.6
108.05484	2.5
108.08113	6.8
108.08904	3.8
109.01110	6.0
109.06520	12.0
109.07639	2.5
115.05444	6.6
117.07000	4.8
118.06520	6.4
119.03539	7.5
119.08581	4.9
120.09354	2.3
133.10048	2.4
135.04407	10.5
135.05460	4.3
135.06554	4.8
135.08046	41.5
135.11678	46.7
136.02158	94.1
136.03789	9.6
136.05083	4.9
136.06177	91.0
136.07562	40.3
136.08533	4.2
136.12006	2.4
137.04536	6.8
139.34769	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	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.14869	1.0
53.03939	7.3
55.01871	3.7
55.05507	11.4
62.46568	0.9
65.03949	2.5
67.05501	19.6
69.03432	1.2
69.07069	9.0
69.92529	5.6
79.05489	69.8
80.05044	1.6
80.05824	1.1
81.07054	19.2
85.53625	1.1
91.05476	42.5
92.05824	1.5
93.07040	100.0
93.09711	1.0
94.07390	3.3
94.07905	1.0
95.04958	16.5
98.21471	1.7
105.04517	2.1
105.07007	7.7
107.04977	2.8
107.08588	44.8
108.08873	1.2
109.01104	2.5
109.06541	3.1
118.06550	2.0
119.03578	2.1
119.06074	1.0
119.08571	3.3
127.71851	1.1
133.10185	1.4
134.07140	0.9
135.04465	2.1
135.05534	1.1
135.08060	7.7
135.11684	30.8
135.12703	1.9
136.02151	21.8
136.03905	1.8
136.05164	1.8
136.06212	19.1
136.07576	4.6
136.12064	2.4
137.04596	1.8
145.36702	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.6
55.01856	9.5
55.05514	13.8
65.03934	5.2
65.79713	2.0
67.05504	40.1
69.07051	9.1
71.59677	2.8
79.05495	90.9
80.05019	3.5
80.05819	2.9
81.07047	32.6
91.05479	39.9
93.07043	100.0
94.02947	2.5
94.07340	2.8
95.04974	22.3
100.69537	2.3
105.04510	3.9
105.07033	11.0
107.04945	12.9
107.08588	56.8
108.04457	2.4
108.08871	3.8
109.01064	9.4
109.06509	6.1
115.05422	3.8
117.07008	6.0
119.03515	3.6
119.08564	3.6
121.38063	2.4
135.04402	7.6
135.05550	5.9
135.07092	3.3
135.08037	20.9
135.11696	43.7
136.02164	91.3
136.03877	6.8
136.06186	50.4
136.07420	4.7
136.11186	2.8
137.04549	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	135.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02161	0.9
53.03181	0.8
53.03939	6.6
55.01852	2.4
55.05509	13.1
62.89538	0.9
63.14871	0.9
65.03922	4.3
67.05502	45.4
69.03411	2.7
69.07064	9.3
77.03900	1.1
79.05487	66.8
80.05013	2.9
80.05808	2.2
81.03416	1.7
81.07050	34.2
82.15894	0.9
82.60853	1.1
87.65443	0.9
90.37988	0.9
91.05473	38.2
92.05770	0.9
92.80769	0.9
93.07037	100.0
94.04022	1.9
94.07356	2.6
95.04964	16.4
98.64228	1.0
105.04496	2.1
105.07031	9.3
107.04958	5.4
107.08584	56.6
108.04454	1.2
108.08138	1.7
108.08879	2.2
109.01092	2.6
109.06502	3.4
112.03982	0.9
115.05445	3.1
117.07000	2.1
118.06523	2.8
119.03517	3.1
119.06060	0.9
119.08526	2.1
135.04411	3.3
135.05476	1.9
135.06516	2.1
135.07018	1.2
135.08060	14.4
135.09015	1.7
135.11681	51.3
136.02164	33.6
136.03923	3.9
136.05170	1.6
136.06174	35.0
136.07555	9.5
136.08508	1.5
136.12035	2.8
137.04556	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	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.11575	0.8
53.03946	6.6
54.46801	0.8
55.01865	1.4
55.05508	13.2
60.05559	0.8
65.03934	3.9
65.35332	0.8
67.05502	47.7
68.05821	2.1
69.03417	2.1
69.07064	10.6
70.57146	3.1
78.04711	1.0
79.05487	78.6
80.05006	2.8
80.05803	1.9
80.42395	0.9
81.03397	0.9
81.07050	34.0
82.07407	1.0
91.05476	35.1
92.05800	1.4
93.07037	100.0
94.07362	2.5
94.07876	1.1
95.04966	14.1
102.23350	0.9
105.04504	3.1
105.07019	6.9
107.04933	5.9
107.08585	59.6
108.04505	1.3
108.08132	1.5
108.08944	2.3
109.01125	1.7
109.06487	4.1
115.05450	2.1
118.06504	1.9
119.03533	2.7
119.06092	1.3
119.08611	1.0
120.05673	0.9
127.67560	0.9
133.10069	1.6
135.04401	3.8
135.05446	1.9
135.08058	13.8
135.11682	50.4
136.02167	27.4
136.03932	2.8
136.05133	1.8
136.06177	26.1
136.07556	8.4
136.08470	0.9
136.12027	2.8
137.04591	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	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02362	1.6
53.03940	8.0
55.01854	3.4
55.05308	1.1
55.05508	12.5
65.03928	2.9
67.05167	1.9
67.05501	26.9
69.03421	2.4
69.07060	8.2
75.08093	1.3
77.03922	1.6
79.05486	79.3
79.13382	1.1
79.98492	1.1
80.05011	2.6
80.05809	2.4
81.07050	30.0
87.83273	1.2
91.05473	38.5
93.07036	100.0
93.81925	1.2
94.07366	3.5
95.04963	15.8
98.21619	2.4
105.04512	3.8
105.07024	9.8
107.04951	4.1
107.08587	52.8
108.08125	1.7
108.08949	2.2
109.01139	2.2
109.06509	2.7
111.35708	1.2
115.05449	2.6
115.23116	1.2
118.06519	1.6
119.03542	4.0
119.06045	1.1
119.08554	1.2
121.22692	1.0
121.37663	1.0
133.10077	1.6
135.04408	4.9
135.05473	2.5
135.06599	1.1
135.07030	1.4
135.08037	12.4
135.11682	40.4
135.12704	2.5
136.02151	29.6
136.03918	3.6
136.05170	1.3
136.06177	38.7
136.07549	10.9
136.08528	2.1
136.12067	1.9
137.04565	3.5
154.04976	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0804
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03941	3.4
55.01873	13.6
55.05503	2.9
58.87049	1.7
65.03934	9.9
67.05499	6.7
68.05875	1.7
69.03432	21.5
69.77695	11.9
78.31514	1.9
79.05491	55.5
80.05030	3.5
83.18391	1.7
91.05480	100.0
92.05784	3.8
92.06302	2.3
93.07046	16.0
95.04980	13.2
105.04526	1.8
105.07031	32.8
106.07272	2.5
107.04979	9.5
107.08592	59.6
108.08921	4.1
109.01101	2.5
109.06507	14.8
115.05453	30.4
117.07008	24.1
118.07326	2.1
119.03518	2.4
119.06069	5.9
120.05692	1.9
135.04456	3.7
135.08057	51.2
135.11652	4.7
136.02156	39.0
136.03868	2.8
136.05141	3.7
136.06181	31.2
136.07549	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	135.0805
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
51.02367	1.1
53.03940	6.7
53.44618	0.7
53.83030	0.7
55.01866	10.7
55.05507	2.4
56.14622	0.7
56.96561	6.0
64.96428	0.7
65.03938	10.5
67.02979	1.2
67.05500	5.3
68.05017	3.7
69.03418	9.9
69.07074	0.8
69.77547	0.8
70.00462	1.4
70.00880	3.3
74.67286	0.8
75.62174	0.7
77.03939	0.8
79.05486	61.1
80.05023	1.9
80.05833	1.9
81.03433	0.8
81.07056	1.4
91.05475	100.0
92.05799	2.1
92.06302	1.7
93.05795	1.5
93.07034	23.8
94.04057	1.8
94.07335	0.9
95.04964	13.8
95.06097	1.5
96.06873	2.9
104.99210	0.7
105.04510	2.1
105.07021	28.8
106.07320	1.6
107.04949	8.4
107.06116	1.4
107.08587	44.6
108.08096	1.4
108.08915	1.6
109.01110	3.0
109.06513	15.0
109.07646	2.7
111.58549	0.7
115.05443	25.6
116.06310	1.2
117.07004	16.2
118.06509	1.5
118.07291	1.4
119.03565	3.3
119.06050	5.8
119.08583	3.2
120.05735	2.0
120.67920	0.8
135.04413	3.3
135.06589	1.7
135.08046	47.9
135.11681	5.1
136.02156	32.7
136.03886	1.8
136.05144	1.5
136.06183	33.7
136.07555	7.3
136.08569	5.0
137.04565	2.5
151.52611	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0804
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03949	3.1
55.01867	13.9
55.05493	1.4
65.03599	0.6
65.03934	9.2
67.05500	7.3
68.05022	1.2
69.03425	14.5
69.07070	0.7
69.87399	2.2
77.03914	0.6
78.04677	0.5
79.05488	47.6
79.50409	0.3
80.05014	1.4
80.05825	2.0
81.03415	0.6
81.07053	1.6
91.05474	100.0
92.05758	3.5
92.06336	2.2
93.05785	0.8
93.07034	11.6
94.04081	0.6
95.04964	11.5
96.06852	0.5
96.35635	0.4
98.21517	0.4
103.05474	0.6
105.04514	1.4
105.07020	32.3
106.07371	1.3
107.04945	7.3
107.08585	48.0
108.04491	0.6
108.08105	1.2
108.08916	2.4
109.01105	1.4
109.06514	17.4
110.06824	0.8
115.05443	26.9
116.06330	0.9
117.07011	21.9
118.06519	1.5
118.07337	1.2
119.03551	1.9
119.06044	5.3
119.08580	2.6
120.05688	1.6
120.09306	0.6
124.05189	0.7
126.05481	0.4
135.04384	1.4
135.05460	0.9
135.08044	36.6
135.11649	4.3
136.02151	19.2
136.03777	1.9
136.06175	20.5
136.07544	6.4
136.08488	2.1
137.04567	1.7
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	134.0601
Annotation	Oxindole
Peak:m/z	Relative Intensity
51.02351	0.3
53.03940	0.9
55.01855	0.4
56.96562	0.8
60.04512	0.4
66.03445	0.3
68.05019	0.9
69.03419	0.5
71.38612	0.5
78.04666	0.3
79.05485	20.5
80.05023	0.7
80.05822	1.2
88.07605	0.3
89.03906	0.7
91.05474	1.6
92.90063	0.7
93.07049	0.7
95.04958	3.0
98.06035	1.1
103.05438	0.3
104.05770	0.4
105.03384	15.7
105.04526	0.7
105.05292	0.6
105.07016	1.3
106.06550	83.0
107.04951	5.9
107.06129	0.7
107.06878	3.7
107.08590	1.5
108.05308	0.3
113.11093	0.3
116.04993	1.5
116.05698	0.4
116.07053	0.5
120.45691	0.3
128.61320	0.3
133.05263	0.5
134.06006	100.0
134.06833	4.2
134.08148	2.3
135.04445	2.0
135.05414	0.6
135.06361	5.0
135.08014	1.8
135.11642	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02383	0.4
53.03938	1.8
55.01852	1.2
55.05500	1.7
56.96548	1.2
59.88350	0.3
63.02325	0.3
65.03922	0.8
67.05504	2.4
68.05015	0.8
69.03435	0.8
70.06576	0.5
71.59933	0.5
74.02415	0.8
77.03910	0.6
79.05489	14.5
80.05017	0.5
80.05796	0.5
81.03395	0.6
88.02196	0.3
91.05478	28.2
92.05804	0.8
92.71535	0.3
92.90041	1.7
93.07028	2.0
95.04955	2.9
98.06052	1.5
103.05466	8.6
103.06129	0.3
105.07026	100.0
105.61278	0.4
106.06559	1.2
106.07362	4.5
110.95347	0.3
112.02202	0.6
115.05446	2.9
116.06282	0.4
116.07054	0.7
116.97225	0.4
117.07017	1.6
118.07810	1.5
123.07990	1.7
131.08583	4.4
133.02859	0.6
133.06499	20.9
133.07571	2.0
133.10126	20.0
133.36040	0.3
134.06041	1.7
134.07008	1.8
134.08144	2.3
134.09575	0.5
134.10490	1.4
151.95035	0.3
154.57542	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03937	1.7
53.99791	0.7
55.01859	1.1
55.05510	6.0
56.96547	1.0
63.44550	0.6
65.03945	1.4
67.05505	6.8
67.45237	0.6
68.05030	0.6
69.03446	0.9
70.06578	0.7
73.64301	0.6
77.03938	0.6
79.05051	1.0
79.05487	13.6
91.05477	82.9
92.05809	2.9
93.07037	3.2
94.99725	0.6
95.04972	2.7
98.06069	0.8
98.21442	1.5
103.05455	5.3
104.06219	0.8
105.03416	1.0
105.07024	100.0
105.24669	0.6
106.06625	1.2
106.07371	4.4
111.04428	0.7
115.05443	3.5
116.06269	0.8
117.07023	3.3
118.07800	4.0
123.07904	0.6
129.07005	0.9
131.08566	8.0
133.06490	12.8
133.07484	0.8
133.10121	35.7
134.06021	1.9
134.07140	1.3
134.08138	1.7
134.10472	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.6
51.70671	0.3
53.03936	1.8
54.03454	0.3
55.01856	1.5
55.05503	2.9
55.64118	0.3
56.05031	0.4
56.96559	1.6
57.03429	0.3
58.05342	0.6
58.28676	0.3
59.40222	0.3
65.03928	1.1
67.05489	1.0
68.02258	0.3
68.05013	1.1
69.03429	0.7
70.06582	0.5
71.59525	0.5
72.93792	0.3
74.02438	1.1
77.03912	0.7
79.05485	14.0
80.05011	0.6
80.05810	0.4
81.04543	0.3
81.70461	0.3
82.05327	0.4
87.05564	0.6
87.10014	0.5
88.02184	0.3
90.94844	0.3
91.05470	24.4
92.05792	0.7
92.06286	0.4
92.90047	1.4
93.07042	4.7
95.04970	3.8
98.06048	1.2
103.05458	8.4
105.03402	1.1
105.07018	100.0
106.06557	1.2
106.07357	4.5
107.04967	0.6
107.06059	0.6
107.08601	0.9
112.02184	0.8
113.02997	0.4
115.05442	6.7
116.06251	0.7
116.07083	0.5
117.07007	5.1
118.07793	6.5
123.07944	1.3
129.07016	0.6
131.04961	0.7
131.08559	9.1
132.08923	0.4
133.02861	0.8
133.06479	29.0
133.10115	38.8
134.05998	2.9
134.06998	2.3
134.08130	1.4
134.09647	0.6
134.10481	1.4
144.04779	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03931	1.4
55.01863	1.5
55.05510	2.5
56.05034	0.4
56.96557	1.1
57.03433	0.4
65.03932	0.8
67.05500	3.1
68.05013	1.1
69.03427	1.0
70.06569	0.8
71.59587	0.4
74.02424	0.4
74.16039	0.3
77.03928	0.6
79.05487	11.4
80.05016	0.7
80.05816	0.3
81.66555	0.3
88.03976	0.4
91.05476	23.5
91.90412	0.4
92.05801	0.9
92.90046	1.5
93.07040	4.9
95.04954	3.0
95.54182	0.3
98.06018	1.7
103.05459	5.4
104.05788	0.3
105.07024	100.0
106.06567	0.9
106.07335	5.0
107.08604	0.4
112.02144	0.8
115.05441	3.1
116.07017	0.3
117.07032	2.0
118.07829	1.7
123.07957	1.3
131.04906	0.5
131.08553	3.5
133.02875	0.4
133.06493	17.9
133.07562	1.7
133.10123	21.3
134.05995	2.2
134.06963	1.5
134.08025	1.9
134.10443	1.0
135.12859	0.3
153.84843	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02382	0.4
53.03939	2.3
54.83012	0.4
55.01863	0.7
55.05505	4.2
56.93662	0.4
56.96550	0.4
65.03926	1.3
67.05489	1.7
67.78706	0.4
68.05058	0.5
70.72668	1.4
70.73020	0.8
74.02441	0.5
79.05489	10.9
79.05956	0.7
91.05477	30.5
92.05788	1.4
92.06300	0.6
93.07041	7.9
95.04962	3.7
103.05465	5.5
105.07025	100.0
106.06623	0.8
106.07340	4.9
107.08576	1.5
112.02162	0.7
115.05451	8.2
116.06245	1.4
117.07020	8.2
118.07802	8.1
123.08016	0.5
129.06995	0.9
131.08560	11.5
131.09509	0.8
132.08871	0.7
133.06497	9.9
133.10124	61.0
134.06021	2.4
134.07025	1.2
134.08147	1.1
134.10439	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02370	0.5
52.49837	0.2
53.03954	1.8
55.01876	2.5
55.05510	1.4
56.96565	0.4
62.00742	0.2
62.79503	0.3
65.03935	0.5
67.05490	0.9
71.58684	0.2
71.59092	0.3
73.02899	0.2
74.02418	0.5
77.03912	0.5
79.05491	16.1
80.05824	0.5
88.62714	0.2
91.05479	15.8
92.05822	0.7
93.07034	0.9
94.04191	0.4
95.04971	4.3
103.05466	9.9
104.05743	0.4
105.07027	100.0
106.06570	1.1
106.07362	4.1
107.04939	0.9
115.05458	4.3
116.06229	0.4
117.07021	1.0
118.04124	0.3
118.07797	1.0
131.04944	1.3
131.08569	2.3
132.05690	0.4
132.90462	0.3
133.06490	41.7
133.10123	8.2
134.05991	1.6
134.06848	2.1
134.08147	0.3
134.09601	0.5
134.10489	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03935	0.8
55.01868	1.1
55.05509	3.6
58.57667	0.5
65.03912	0.9
67.05506	2.0
68.05009	0.6
68.88245	0.5
76.45791	0.5
79.05483	9.7
83.17550	0.5
91.05473	30.1
92.05818	1.0
93.07034	1.7
95.04972	2.5
98.06054	1.0
103.05466	4.5
105.07022	100.0
106.06625	1.1
106.07355	4.6
110.81864	0.7
114.89781	0.5
115.05407	2.5
117.06992	2.0
118.07760	1.5
121.04747	0.5
123.06076	0.5
129.06984	0.5
131.08557	4.5
133.05464	0.6
133.06488	12.8
133.07495	0.7
133.10118	23.8
134.05978	1.5
134.07025	1.2
134.08141	1.8
134.10426	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03946	1.7
55.01868	1.1
55.05507	3.6
56.05024	0.7
56.96571	1.0
65.03934	1.6
65.73265	0.4
67.05509	0.9
68.05021	0.5
69.03422	0.5
70.84974	0.9
77.03925	0.8
79.05492	11.6
80.05027	0.6
80.05828	0.7
81.07051	0.5
88.02197	0.4
91.05479	35.3
92.05805	2.1
92.90076	1.0
93.07044	6.8
95.04978	2.8
98.06057	1.4
103.05461	7.1
104.06270	2.4
105.07027	100.0
106.06625	0.8
106.07367	4.9
107.08590	0.9
112.02144	0.5
115.05440	5.5
116.06226	1.2
116.07063	0.4
117.07011	6.1
118.07809	5.8
120.09074	0.4
131.08571	7.3
133.06497	15.4
133.07538	1.2
133.10124	46.6
134.06003	2.0
134.06990	1.3
134.08113	1.0
134.10463	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	133.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
55.01870	4.1
56.96553	0.8
57.04574	0.4
58.05333	1.3
58.06575	0.4
59.06120	0.5
62.03868	0.3
65.03947	0.4
68.05031	0.3
69.03432	0.4
70.06588	0.5
71.57913	0.3
71.58247	0.6
72.93774	0.8
73.02871	0.3
74.02425	0.6
74.06068	0.6
75.05595	1.2
77.03914	0.6
79.05488	18.4
80.05813	0.5
83.03654	0.3
85.04037	0.5
87.05576	0.8
87.10030	0.6
88.04015	0.5
88.07635	0.4
91.05507	1.8
92.90076	1.0
95.04965	4.3
98.06044	0.7
103.05463	11.1
105.07025	100.0
106.06605	0.7
106.07364	2.9
107.04935	1.3
111.41953	0.3
113.51635	0.3
115.05455	5.5
116.05745	0.4
116.07121	0.4
118.04187	0.4
120.55505	0.3
123.07967	0.4
131.04926	2.1
133.06485	80.2
134.05988	0.5
134.06851	2.6
134.08131	0.6
150.96832	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02380	0.5
53.03948	2.7
55.01879	4.5
59.52742	0.4
66.06458	0.4
70.61593	0.6
70.61957	1.4
72.31363	0.5
74.02443	1.2
77.03932	1.1
79.05495	24.5
84.21453	0.4
91.05476	2.1
95.04965	5.3
99.10020	0.6
103.05466	13.4
104.05792	0.7
104.19495	0.4
105.07032	100.0
106.06545	1.5
106.07365	3.4
107.04965	2.5
115.05454	7.3
116.48185	0.5
118.04071	0.5
131.04941	1.8
132.05679	0.7
133.06494	71.1
134.05971	3.4
134.06900	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03946	2.2
54.09642	0.4
55.01868	3.5
67.05498	0.5
71.37526	0.4
77.03895	0.5
79.05494	20.3
80.05817	0.5
91.05480	10.8
93.07040	0.4
94.04224	0.5
95.04971	5.2
103.05463	13.4
105.07031	100.0
106.07369	3.1
107.04967	1.3
111.69344	0.4
115.05447	6.5
118.07797	0.5
127.01517	0.5
131.04956	1.9
131.08533	0.4
132.90521	1.1
133.06493	64.3
133.10124	3.3
134.06837	2.5
137.33879	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0648
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02378	0.5
53.03943	2.3
55.01875	3.7
55.05513	0.5
56.96556	0.6
67.05500	0.7
69.50116	3.6
74.02451	2.2
77.03918	0.7
79.05492	21.5
82.88073	0.4
87.05598	0.8
88.02208	0.4
88.03990	0.5
91.05484	6.2
94.04209	0.6
95.04977	4.4
99.76859	0.4
103.05464	14.8
103.06149	0.8
105.07029	100.0
106.06704	0.7
106.07353	2.9
107.04935	2.0
115.05444	5.7
131.04953	2.1
131.08598	0.7
133.06493	63.9
133.10104	2.4
134.05988	0.9
134.06853	2.6
143.06046	0.4
153.84735	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0648
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02380	0.5
51.20272	0.3
53.03943	2.2
53.82133	0.3
55.01870	4.3
70.64642	0.9
73.08836	0.4
74.02437	0.5
77.03918	1.4
79.05491	21.0
91.05485	2.2
94.04167	0.8
95.04955	5.7
103.05467	14.5
104.05811	0.5
105.04546	1.1
105.07028	100.0
106.07355	3.9
107.04957	2.7
115.05456	5.8
131.04922	2.7
132.05679	0.7
133.06490	67.9
133.10162	1.3
134.06865	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0647
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03942	2.2
55.01862	3.7
58.27951	0.3
70.24830	1.2
77.03917	0.6
79.05483	15.9
80.05789	0.3
81.03400	0.3
91.05474	1.5
94.04200	0.3
95.04963	3.4
103.05455	12.0
105.07016	100.0
106.07355	3.6
107.04939	1.1
115.05431	4.9
118.04206	0.3
131.04912	2.4
133.06473	92.9
134.06801	4.5
138.94313	0.3
143.06047	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02378	0.7
53.03944	2.4
55.01869	3.9
55.70806	0.3
69.50989	2.2
77.03926	0.7
79.05492	19.8
83.15451	0.3
91.05485	1.7
94.04193	0.7
94.22710	0.3
95.04973	5.4
103.05468	15.1
104.05809	0.4
105.04518	1.2
105.07028	100.0
106.07367	2.2
107.04948	1.7
115.05457	7.2
118.04185	0.3
123.78285	0.3
131.04907	2.5
132.05730	0.6
133.06490	73.1
134.06830	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	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.85004	0.4
53.03946	3.0
54.13620	0.4
55.01873	4.3
62.95792	0.4
65.03961	0.6
70.65352	1.4
70.78513	0.4
77.03915	0.7
79.05495	19.1
79.70330	0.4
80.05831	0.5
82.85224	0.4
83.08845	0.4
85.47063	0.4
87.00452	0.4
90.46762	0.4
91.05482	5.8
94.04161	0.7
95.04970	5.1
96.17587	0.4
103.04790	0.8
103.05469	12.9
105.07034	100.0
106.06580	1.2
106.07365	2.8
107.04963	1.4
115.05451	6.0
117.07008	0.5
118.04118	0.4
120.40076	0.4
124.43635	0.4
130.90538	0.5
131.04935	2.1
131.08537	0.8
132.05708	0.8
132.90500	2.7
133.06497	67.6
133.10100	3.3
134.06018	0.8
134.06839	3.3
138.87979	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46206	0.2
51.86144	0.2
53.03946	2.4
55.01872	4.6
69.53695	2.0
77.03923	0.6
79.05493	20.8
80.05804	0.4
81.03435	0.3
91.05479	1.9
94.04189	0.4
95.04972	4.8
96.38611	0.2
102.97076	0.3
103.05469	14.2
104.05753	0.5
105.07030	100.0
106.07359	3.6
107.04949	1.8
115.05449	6.4
118.04176	0.3
131.04927	2.6
132.05746	0.6
133.06491	76.9
134.06802	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	133.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26856	0.3
51.02383	0.6
53.03945	2.8
53.72903	0.3
55.01872	4.3
55.05517	0.5
58.06591	0.3
69.04548	0.4
69.43673	2.7
74.02441	3.7
77.03903	0.7
79.05493	20.3
87.05601	0.9
91.05476	4.3
94.04202	0.6
95.04960	4.7
98.04591	0.3
103.05466	13.9
105.07028	100.0
106.07353	3.3
107.04950	1.9
115.05453	5.7
116.03429	0.3
117.07034	0.4
131.04913	2.7
131.08577	0.7
132.05701	0.6
133.06490	68.0
133.10123	3.8
134.05969	0.5
134.06857	3.0
139.93970	0.3
143.06078	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02374	0.5
53.03945	3.1
55.01868	4.5
59.76453	0.3
70.77979	0.4
71.41891	0.9
77.03907	0.7
79.05492	22.2
80.05813	0.7
91.05481	1.7
94.04197	0.8
95.04974	5.3
103.05462	15.8
104.05034	0.4
104.05771	0.5
105.04551	1.0
105.07024	100.0
106.07365	3.5
107.04944	2.2
115.05459	7.7
131.04930	2.6
132.05695	1.1
133.06485	69.5
134.06844	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	133.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.01869	4.4
55.05509	0.7
56.96555	1.6
58.05334	0.7
60.04523	0.7
68.04999	0.6
70.02948	2.4
70.72263	1.7
74.02442	31.7
75.05618	1.1
77.03922	1.0
79.05074	0.6
79.05492	16.6
79.78829	0.6
81.04552	0.6
86.87000	0.6
87.05595	9.9
88.03992	2.7
91.05487	5.4
93.07041	0.6
93.59721	0.5
95.04974	4.4
98.06084	0.7
99.00828	0.6
103.05467	12.7
105.03423	1.1
105.07030	100.0
106.06621	1.2
106.07375	3.2
107.04970	1.7
110.09828	0.6
112.02194	1.1
115.05457	5.6
116.03455	2.0
117.07050	0.9
123.07912	0.9
131.04935	2.2
131.08563	0.9
132.05638	0.8
133.02873	1.1
133.06496	70.8
133.10135	6.5
134.05974	1.6
134.06947	3.3
134.08102	1.3
151.03984	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0608
Annotation	[(ammonioacetyl)amino]acetate
Peak:m/z	Relative Intensity
53.03941	2.5
55.01871	3.2
55.05502	1.3
55.63271	0.5
56.96549	1.5
57.03409	0.6
57.29203	0.5
57.40681	0.5
58.05334	1.7
60.04518	1.0
65.03949	0.5
67.05500	1.4
68.05038	0.6
69.03401	0.6
70.02949	4.0
70.06571	0.6
70.08319	1.3
70.08717	1.2
72.93779	0.7
74.02435	66.1
74.06055	0.8
75.02744	0.5
75.05610	0.9
77.03917	0.7
79.05487	18.3
80.05019	1.0
85.04017	0.8
87.05585	22.6
88.03989	6.5
88.05956	0.6
91.05473	27.7
92.05835	0.7
92.90073	1.6
93.07037	1.2
94.04170	0.6
95.04957	5.0
98.02374	0.6
98.06026	1.0
98.21490	0.7
103.05460	11.2
104.04988	1.0
105.03373	1.5
105.07021	100.0
106.06552	3.3
106.07362	3.3
107.04936	1.4
107.06094	0.9
112.02177	1.4
115.05443	6.8
116.03445	4.9
116.06277	0.5
116.07069	0.5
117.06985	1.5
118.07776	1.8
123.07980	1.4
126.30064	0.5
131.04941	1.8
131.08571	1.9
132.05685	0.6
133.06485	62.4
133.10114	13.8
134.05986	3.4
134.06981	2.9
134.08141	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0608
Annotation	[(ammonioacetyl)amino]acetate
Peak:m/z	Relative Intensity
55.01869	1.6
56.75515	1.1
58.99573	2.4
60.04519	1.1
61.00940	0.8
61.01150	9.8
68.05029	1.8
70.02968	6.6
70.06595	5.5
70.19674	2.5
70.20068	2.2
74.02440	100.0
74.06078	2.0
75.02702	1.4
79.05511	7.0
81.28535	1.2
85.01057	1.3
85.02905	1.8
87.02696	8.7
87.05591	26.6
87.10023	1.2
88.03993	9.0
88.97752	1.0
90.81646	1.2
93.71968	1.2
95.04990	2.2
95.17435	1.2
103.05466	4.4
105.07031	28.8
115.05510	1.8
116.03464	5.4
116.07060	1.3
133.03183	1.6
133.06502	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	133.0608
Annotation	[(ammonioacetyl)amino]acetate
Peak:m/z	Relative Intensity
53.03952	6.5
53.19468	1.0
55.01873	6.4
55.05494	1.6
56.05034	7.5
56.05837	1.3
56.96561	6.2
57.03434	8.0
58.03768	1.0
58.06581	1.9
58.99580	12.5
59.04979	1.8
59.96722	3.4
60.04520	2.8
60.95845	2.2
61.01148	70.5
65.03921	1.0
68.05021	4.9
69.03423	4.7
69.07027	1.1
70.02950	5.8
70.06599	5.8
70.07418	1.2
70.34666	3.2
70.35077	1.8
70.99563	1.0
71.04984	5.0
71.06916	1.4
72.00358	2.5
72.08142	1.2
72.93776	1.5
73.01141	1.4
73.02917	7.3
74.02438	100.0
74.06079	14.4
74.99055	4.3
75.02715	4.6
75.04469	1.1
75.05586	2.2
76.07613	1.3
77.00625	4.4
77.03901	1.7
79.05486	10.0
80.05003	1.7
81.03433	2.0
83.01336	2.5
85.01122	8.9
85.02898	8.9
86.06036	1.7
86.09715	2.4
87.02688	85.9
87.04453	1.9
87.05586	28.9
87.09481	1.6
87.10020	8.6
88.03063	1.6
88.03984	12.7
88.07617	4.1
90.02425	1.1
91.02211	1.1
91.05476	4.3
92.90080	2.5
93.02071	2.0
93.68994	1.2
95.04965	4.3
98.06033	5.0
99.00813	1.3
100.02446	1.6
102.09156	2.6
103.03963	1.1
103.05468	5.9
105.00089	3.1
105.03788	1.3
105.07024	51.5
106.06522	2.0
106.07334	1.8
115.05487	2.5
115.08730	1.5
115.09500	1.7
116.03437	9.3
116.07104	4.2
118.03506	3.5
119.01890	5.5
121.03484	2.1
131.01889	1.5
131.08531	1.2
133.03186	18.8
133.04980	2.4
133.06502	28.0
133.07545	3.2
133.10080	5.6
134.06006	2.5
134.07097	1.9
134.08061	5.9
134.11746	1.3
137.02925	2.1
142.03488	4.3
150.96906	1.4
151.04468	1.7
152.51959	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.102
Annotation	Isoleucine
Peak:m/z	Relative Intensity
58.06598	7.9
64.56560	0.9
69.07044	1.1
70.06580	2.0
70.88326	2.1
70.88682	2.1
86.09707	100.0
87.10040	2.4
98.09702	10.6
105.07051	1.4
115.12318	3.1
133.06459	1.7
139.51840	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1497
Annotation	Norspermidine
Peak:m/z	Relative Intensity
53.03943	0.5
53.48521	0.4
55.01878	1.7
55.05526	0.5
57.03434	0.8
58.02942	0.4
58.06602	69.2
59.06944	1.1
61.01155	0.8
69.07070	3.0
70.06594	21.4
71.48711	0.6
72.04515	0.6
72.08150	0.7
72.93787	1.0
73.02922	0.6
74.02448	9.2
74.06107	0.4
75.05613	1.5
75.09251	5.0
77.03963	0.4
79.05505	4.8
79.05922	0.6
84.04481	0.8
84.08139	1.4
86.00659	1.1
86.06075	1.3
86.09708	33.8
87.02693	0.9
87.05596	2.9
87.10057	1.3
88.04012	0.9
90.90404	1.1
91.05486	1.4
95.04972	1.6
98.09695	100.0
99.10008	4.2
103.05470	3.7
104.04972	0.9
105.03418	0.5
105.07036	26.1
107.05021	0.4
108.08121	0.5
110.09663	0.5
112.02215	1.0
115.05464	1.4
115.12333	25.9
116.03506	0.6
116.12617	1.0
123.07932	1.3
131.04930	0.9
131.99272	0.4
132.04390	0.7
132.06581	0.5
132.14970	7.5
133.06500	19.9
133.10104	0.9
133.15302	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1019
Annotation	Isoleucine
Peak:m/z	Relative Intensity
53.03929	0.4
55.05503	5.0
56.05031	0.4
57.03421	0.4
57.05807	0.7
58.06584	1.2
59.04986	1.1
61.01147	0.9
63.73872	0.3
65.96328	0.3
68.05035	0.7
69.07063	14.6
70.06582	4.8
70.07391	0.5
71.19784	0.6
72.04501	0.4
72.08163	0.5
74.02419	2.3
83.04969	1.4
86.06066	1.6
86.09698	100.0
87.02673	1.2
87.05585	0.7
87.10036	3.5
91.82142	0.4
92.89607	0.3
101.06006	4.1
102.53189	0.3
105.07005	0.6
106.33501	0.3
111.95903	0.3
114.09145	1.9
118.95663	0.4
132.06538	0.4
132.10207	2.4
132.13849	0.6
138.51141	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.102
Annotation	DL-tert-Leucine
Peak:m/z	Relative Intensity
53.03934	1.5
54.53703	0.5
55.01862	0.7
55.05512	0.8
56.05024	1.7
56.96561	1.9
57.03436	4.2
57.04565	0.8
58.05334	2.1
58.06591	1.5
59.06120	0.7
59.29368	0.4
60.86510	0.4
61.01139	0.4
68.05019	1.0
69.03420	0.9
69.07047	1.6
69.52711	3.7
70.06582	1.1
72.04507	0.9
72.08147	1.1
72.93795	3.8
73.02901	0.6
74.02428	1.1
74.06077	0.7
75.05595	2.0
77.03932	1.1
79.05490	4.3
81.04552	0.5
85.04025	0.8
86.06071	1.8
86.09702	100.0
87.02721	0.5
87.05602	2.2
87.10055	2.5
88.07629	0.8
90.90374	6.0
90.94823	1.9
91.05497	1.7
95.04960	2.7
98.01243	0.5
103.05459	4.0
104.04996	10.3
104.05799	3.3
105.03383	1.3
105.04518	0.5
105.05312	0.6
105.07028	24.3
108.95863	0.7
112.02164	0.7
114.05536	1.1
115.05439	1.4
115.08704	0.6
116.07081	0.5
117.05794	1.2
123.07971	0.6
131.04976	0.7
132.04445	13.6
132.05316	1.0
132.06506	3.0
132.08075	0.9
132.10223	1.0
133.02840	0.7
133.04935	0.9
133.06491	19.3
133.07538	1.2
133.10027	1.0
149.94066	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.0
55.01870	2.4
56.05022	3.1
56.32243	1.6
57.03442	5.2
58.06581	2.6
59.07370	2.1
60.08167	34.3
64.03787	1.9
65.02683	2.9
65.03928	2.3
70.76457	2.1
70.76791	3.9
73.02919	100.0
74.47135	1.9
74.83920	1.7
77.05158	1.7
78.03475	1.9
78.63103	1.6
79.05501	10.6
86.09716	2.3
89.73035	1.7
91.03014	2.6
91.05489	13.3
95.04997	5.2
103.05453	10.1
104.05016	3.6
104.05779	3.2
105.04530	10.6
105.07032	83.1
107.06511	1.8
115.05489	6.0
117.05751	2.7
118.05299	2.1
125.17619	1.9
132.04430	7.1
132.05577	9.0
132.06560	4.8
132.08101	2.7
132.10196	16.4
132.90504	83.2
133.05055	3.4
133.05389	3.4
133.06497	50.3
133.07581	4.3
133.10127	5.5
150.25067	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0807
Annotation	6-Methyl indole
Peak:m/z	Relative Intensity
53.03936	1.0
54.03445	0.7
56.05017	1.5
56.61842	0.6
56.96535	0.9
57.03428	1.3
58.05347	0.7
58.06589	0.7
68.05007	0.9
69.07052	0.9
70.04227	2.6
72.04514	0.9
72.08169	1.0
72.50690	0.6
72.93797	3.2
74.02425	0.6
75.05584	1.8
79.05484	2.6
86.06083	0.6
86.09684	5.0
87.02687	0.7
89.05804	0.7
90.90369	6.9
90.94834	1.4
91.05489	3.1
91.90390	0.6
93.05782	1.5
95.04957	2.4
103.05441	1.7
104.04985	6.3
105.03362	1.0
105.04500	0.7
105.07021	17.0
106.07281	0.6
115.05453	20.4
115.06262	1.0
116.05780	1.0
117.05751	66.0
118.06084	2.8
124.23828	0.7
130.06512	7.9
131.07336	5.9
132.04460	8.4
132.08080	100.0
133.05507	0.7
133.06467	5.7
133.07495	1.4
133.08473	4.9
133.09946	0.8
139.14832	0.7
143.05997	1.0
150.96913	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.6
55.01869	7.7
55.05504	8.4
56.05029	8.7
56.96561	15.5
57.03436	11.1
58.02952	6.2
58.05346	4.7
58.06584	15.7
58.99851	4.4
60.04525	5.3
68.05025	3.9
69.03429	5.5
69.44852	36.3
70.06592	7.9
72.04497	10.4
72.08139	4.0
72.34665	4.2
72.93800	5.0
75.05595	7.8
77.00903	11.4
79.05471	16.2
82.01440	6.9
83.07267	4.9
85.04033	4.4
86.06067	5.1
88.51696	18.0
89.01727	10.7
89.51538	4.3
90.90403	7.9
91.05482	12.1
95.04971	14.0
98.01418	4.5
98.09688	19.0
98.21542	8.6
98.97562	6.5
100.02481	35.9
101.00892	7.0
101.02599	4.7
102.02285	4.2
103.05461	9.9
104.01964	5.2
104.04973	5.6
105.03314	4.6
105.07038	75.3
109.52197	13.1
110.02229	5.0
115.02555	4.2
115.05448	5.6
116.34806	4.2
116.98592	11.4
117.05795	4.8
118.03524	43.1
119.01141	8.1
119.01929	100.0
119.03576	5.2
120.02046	8.1
121.01694	7.1
121.03517	7.8
126.52454	4.3
126.99117	10.7
127.03526	19.7
128.01947	17.9
129.49373	5.1
132.05167	25.7
132.06561	9.3
133.05531	6.8
133.06482	40.8
133.10114	9.4
134.99699	27.8
136.04593	6.1
137.02968	74.6
138.00073	14.6
138.03098	6.6
138.49911	36.6
142.03490	31.0
145.03548	6.8
145.04526	21.0
147.50421	6.4
150.06131	43.0
153.00780	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	132.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.0
53.03948	5.8
55.01876	1.0
56.05038	1.0
56.96561	1.5
57.03435	2.1
57.04546	0.6
58.02954	0.6
58.05349	0.8
58.06591	1.0
60.04510	0.4
60.05872	0.3
68.05022	1.0
69.03436	0.5
69.07067	1.0
70.09603	1.3
72.04501	0.8
72.08155	1.2
72.93786	1.8
74.02432	0.4
74.06077	0.5
75.05587	1.0
77.03915	2.4
79.05484	1.7
81.03407	0.6
84.04476	0.7
86.06053	1.7
86.09698	9.2
87.05595	1.1
90.90390	5.6
90.94842	0.7
91.05495	0.6
95.04963	11.7
95.05552	0.7
96.04472	2.3
96.05314	0.5
100.01083	0.3
103.05470	1.9
104.04986	75.6
105.03426	1.8
105.04516	2.5
105.05327	2.1
105.07024	8.4
108.91393	0.4
114.05527	1.2
115.05468	0.6
117.05774	0.6
124.51569	0.4
128.93190	0.3
132.04442	100.0
133.04807	3.6
133.06479	7.1
144.15683	0.3
145.86662	0.4
149.94035	0.9
150.96901	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0444
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
51.02377	0.6
52.04980	0.4
53.03945	4.0
54.04278	0.5
55.01866	1.1
56.05024	1.8
56.96566	2.0
57.03434	3.8
57.04551	1.1
57.09830	0.4
58.02947	1.3
58.05333	1.6
58.06585	1.8
59.06118	0.4
60.04521	0.7
68.05016	1.6
69.03420	1.5
69.07053	1.3
70.06590	0.8
70.58811	0.8
71.06109	0.7
72.04505	1.3
72.08143	1.7
72.93783	2.1
73.04034	0.7
73.06551	0.4
74.02423	1.1
74.06074	0.8
75.05597	1.8
77.03915	1.9
78.03445	0.4
78.58897	0.4
79.05495	2.1
81.03390	0.5
83.00807	0.6
83.04976	0.5
84.04483	1.1
84.05624	0.5
85.04020	0.9
86.00628	0.5
86.01274	0.4
86.06062	2.6
86.09701	14.2
87.05586	2.3
89.03880	0.6
89.10745	0.5
90.90383	4.1
90.94836	0.9
91.00517	0.5
91.05466	1.1
95.04961	12.1
96.04478	2.3
98.01241	0.5
103.05479	2.0
104.04984	76.0
105.03379	1.6
105.04507	2.3
105.05319	2.3
105.07020	14.0
108.95862	0.9
113.02955	0.4
114.05528	1.6
114.06665	0.4
115.05498	0.8
116.98604	0.5
117.05745	1.0
123.07922	1.0
124.02560	0.4
131.04968	0.4
132.04442	100.0
132.06473	4.7
132.08086	1.4
133.02888	0.4
133.04799	4.8
133.06479	10.5
133.07558	0.9
133.10034	1.0
150.96925	0.4
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
53.03941	2.1
56.05056	1.6
56.96567	17.9
57.03441	7.7
61.02923	1.8
65.03928	1.5
69.03412	4.1
70.03752	1.2
70.19790	2.7
70.20177	1.5
72.04523	1.6
73.02898	2.7
77.00774	1.9
84.04530	2.4
84.96005	1.3
85.02908	1.8
85.04834	2.7
85.07633	1.1
85.08482	2.5
86.00629	1.0
86.09689	2.4
89.90704	1.6
90.90376	3.4
91.05482	100.0
92.05812	3.4
92.40745	0.9
95.04951	4.3
96.04514	1.4
97.02892	1.8
98.01326	1.2
98.09706	1.1
98.97583	5.4
103.05468	26.6
104.01250	1.0
104.05769	2.1
110.01308	2.2
113.07919	5.4
115.05451	7.2
116.06248	26.7
116.98637	5.5
119.01788	3.0
128.02316	1.7
128.06244	2.0
128.98622	2.0
129.07001	13.9
130.07417	1.0
131.04941	19.7
131.05972	1.8
131.06917	3.9
131.08560	61.8
132.04451	2.0
132.05614	1.0
132.06541	1.8
132.08928	2.9
133.06474	1.2
134.99677	5.8
146.99637	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	131.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.9
56.96565	20.2
57.03434	3.3
61.78789	1.5
65.03944	1.4
69.46941	11.1
73.02891	2.0
79.83607	1.2
82.42973	1.4
84.04549	1.9
85.04877	3.2
91.05479	100.0
92.05805	3.8
95.04979	4.4
98.20683	2.6
103.05473	24.9
104.04982	1.6
113.07944	2.0
115.05444	10.1
116.06242	24.2
117.06535	1.6
128.06274	2.4
129.06999	14.2
131.04938	18.0
131.06941	2.9
131.08565	62.1
132.05405	1.5
132.06564	2.8
132.08020	1.7
132.08911	4.2
133.06465	1.6
134.99637	1.7
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
53.03938	1.7
56.96566	24.5
57.03436	2.0
62.33031	0.8
64.33333	1.2
65.03936	2.0
68.15204	1.0
69.96136	2.3
69.96551	2.9
73.02913	2.0
78.78253	0.9
91.05481	100.0
92.05817	2.4
95.04958	2.3
98.97591	1.5
101.52776	1.2
103.05465	15.4
104.05022	1.1
104.05766	1.5
109.06430	0.9
113.07926	1.7
115.05450	8.7
116.06245	23.9
117.06494	1.3
128.06230	2.7
129.06999	13.0
131.04927	7.9
131.05940	2.3
131.06915	2.7
131.08562	58.5
132.04384	1.6
132.05276	1.2
132.08936	2.3
134.99602	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
56.96559	3.5
57.03439	1.5
65.03938	1.4
67.05498	3.0
69.03423	0.6
70.31982	0.6
70.32381	1.2
84.04497	0.5
85.02930	0.5
85.04852	0.9
85.06551	1.5
91.05479	100.0
92.05812	3.5
95.04967	1.3
98.97593	1.3
103.05466	9.1
104.05038	0.6
104.05775	0.6
105.07039	0.8
105.76128	0.5
113.07913	1.1
115.05449	8.3
116.06243	22.6
116.98625	0.4
117.06564	0.8
128.06219	2.0
129.06032	0.8
129.07001	15.8
130.07312	0.6
131.04947	4.9
131.08563	61.2
132.06630	0.6
132.08899	3.7
133.06496	0.6
134.99709	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.01857	0.6
56.05025	1.2
56.96563	6.4
57.03438	3.6
61.02950	0.6
65.03941	1.3
69.03416	1.3
70.28393	2.4
73.02911	0.7
77.00785	0.8
78.71387	0.6
81.03444	0.6
83.00806	0.5
84.04515	1.0
84.08096	0.6
85.02921	0.7
85.04790	0.8
86.09680	0.8
87.11883	0.6
87.24747	0.6
90.01492	0.6
90.90420	0.9
91.05485	100.0
92.05811	3.5
93.76593	0.7
95.04976	2.4
98.24598	0.6
98.97604	1.6
102.04710	0.6
103.05472	13.9
104.04922	0.6
105.07014	1.1
105.30648	0.6
113.07964	1.8
114.05500	0.5
115.05454	8.1
116.06251	27.5
116.98654	1.4
117.05760	0.8
117.06573	1.1
119.01797	1.1
128.06235	2.1
129.07014	13.3
131.04942	10.2
131.06921	2.4
131.08571	64.8
132.04449	1.6
132.05362	0.7
132.06584	1.2
132.08057	0.9
132.08913	4.5
133.06503	1.1
134.99663	2.0
146.99669	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41528	0.7
52.10600	0.7
53.03703	0.7
53.03952	2.2
53.90093	0.7
56.05035	1.4
56.96564	9.5
57.03442	4.2
58.02963	1.0
58.06586	1.3
61.02912	1.2
65.03937	1.9
69.03438	2.0
69.84227	1.5
69.84644	3.6
70.03793	0.8
70.06606	1.3
72.04500	0.9
73.02925	1.6
80.90137	0.8
84.04505	1.8
85.02911	1.8
85.04835	1.4
85.07692	0.8
85.08496	0.8
86.09691	1.0
90.90408	1.5
91.05482	100.0
92.05811	3.6
95.04973	3.5
98.01332	0.9
98.09707	1.3
98.97588	1.9
100.41873	0.7
103.05466	22.1
105.07028	1.4
110.01328	1.0
113.07927	2.6
115.05457	8.3
116.06247	22.1
116.98624	2.4
117.05757	1.1
117.06532	0.9
128.06229	1.4
129.07004	13.6
131.04933	15.6
131.05951	1.5
131.06926	2.1
131.08565	57.8
132.05318	1.7
132.06572	2.0
132.08920	3.6
133.06476	1.6
134.99638	2.9
144.52690	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.8
51.91219	0.9
53.03933	2.7
56.05030	1.8
56.96570	10.8
57.03435	4.6
58.02953	0.8
58.06590	1.0
65.03941	1.9
69.03428	2.5
70.03745	0.8
71.58834	1.4
72.04488	0.8
73.02908	2.1
83.00784	1.0
84.04494	2.0
85.04824	3.0
85.07661	1.5
85.08468	1.1
86.06069	1.4
86.09707	1.4
90.90387	1.5
91.05481	100.0
92.05814	2.8
95.04952	4.1
98.01275	1.1
98.09650	1.1
98.97573	2.8
99.02027	0.9
103.05466	26.5
104.04995	1.6
104.05779	1.5
105.07051	1.7
110.39617	0.8
113.07918	4.3
115.05448	9.1
116.06251	26.6
116.98599	2.5
117.05771	1.1
117.06537	1.4
119.01792	1.2
128.06221	1.9
129.07007	15.2
131.04936	29.2
131.05957	1.8
131.06895	3.0
131.08565	64.5
132.04376	1.1
132.05286	1.6
132.06528	2.0
132.08058	2.0
132.08913	3.5
133.06561	1.3
134.99657	3.6
143.06071	1.2
146.99619	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	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.3
51.02372	0.2
53.03943	2.6
55.01851	0.3
56.05040	1.0
56.96561	3.1
57.03432	1.0
58.02950	0.2
58.06604	0.9
60.04514	0.3
61.02913	0.3
63.05720	0.2
64.93354	0.2
68.05016	0.3
69.03430	0.9
69.07054	0.6
70.03755	1.2
70.06586	0.4
70.36951	0.6
71.93002	0.4
72.04507	0.5
72.08160	1.1
72.93774	0.7
73.02920	0.5
73.08435	0.2
74.06068	0.4
77.00776	0.4
77.03912	0.7
81.03408	0.5
83.00766	0.3
83.02453	0.3
83.06107	0.4
84.04495	0.5
84.08125	0.2
85.02911	0.6
85.04845	0.2
85.07671	1.9
85.08470	0.8
86.00652	0.4
86.06052	0.9
86.09699	4.2
90.90369	1.0
90.94766	0.3
91.05496	0.5
92.01302	0.3
95.04961	5.7
96.01541	0.2
96.04507	0.2
97.02913	0.2
98.01281	0.2
98.97577	0.9
102.04679	0.8
103.05463	100.0
104.05793	4.3
105.04511	1.1
105.07026	0.2
107.95065	0.2
110.01278	0.3
112.58643	0.2
113.07161	0.6
113.07914	3.4
114.09164	0.2
115.05489	0.3
116.98631	1.0
117.05750	0.3
120.54986	0.2
125.96142	0.5
128.02379	0.3
128.98643	0.4
130.06534	0.4
131.04916	1.8
131.05885	0.3
131.06943	0.2
131.08243	0.7
132.04457	0.4
132.06627	0.3
132.08080	0.9
134.99622	0.5
136.04387	0.2
146.99684	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.3
51.02389	0.3
53.03950	2.9
55.01871	0.2
56.05027	0.9
56.96547	1.1
57.03434	1.1
58.06591	0.7
59.06118	0.4
60.04519	0.4
60.16530	0.2
61.02947	0.2
63.77228	0.2
66.64324	0.2
67.05493	0.2
68.05009	0.3
69.03424	0.7
69.07070	0.3
69.92679	1.1
70.03766	0.6
70.06590	0.5
71.05009	0.2
71.06836	0.2
72.04516	0.5
72.08166	0.3
72.93798	0.4
73.02911	0.3
73.08474	0.2
77.03924	0.6
81.03394	0.3
82.98126	0.2
83.00786	0.3
83.02451	0.2
83.06087	0.3
84.04491	0.4
85.04827	0.3
85.07668	1.2
85.08472	0.6
86.06049	0.9
86.09693	0.6
87.05575	0.4
88.06352	0.2
88.51439	0.2
91.05489	1.4
92.01302	0.2
94.55473	0.2
95.04347	0.4
95.04959	7.0
95.26428	0.2
96.01524	0.2
96.05289	0.2
98.01272	0.4
98.04797	0.3
98.97607	0.2
102.04686	1.3
103.05461	100.0
104.05061	0.2
104.05786	5.0
105.04515	1.1
107.01857	0.3
111.02037	0.2
113.07166	0.5
113.07935	2.9
114.05538	0.4
116.06232	0.3
116.98617	0.5
119.01799	0.2
125.96096	0.2
131.04919	11.3
131.06883	0.5
131.08757	0.4
131.09067	0.3
132.04433	0.7
132.05203	0.3
132.06584	0.5
132.07977	0.2
134.99652	0.3
146.99637	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.1
53.03943	5.3
55.01865	0.9
56.05023	1.3
56.96566	15.5
57.03429	3.1
58.06594	2.1
59.19565	0.5
61.02921	1.7
64.13541	0.5
65.26321	0.5
68.05033	0.6
69.03423	2.1
70.03737	0.7
70.06594	1.0
71.22617	1.1
71.95274	0.5
73.02908	1.7
75.22075	0.5
77.00800	1.0
77.03925	0.7
79.01669	0.5
81.03409	1.0
83.00773	0.9
85.02896	1.5
85.04829	1.6
85.07657	2.4
86.06059	0.9
86.09720	0.7
87.05547	0.7
89.00726	0.7
90.90382	1.9
91.05479	12.7
92.01303	1.2
95.04973	12.9
97.02879	1.2
97.99158	0.6
98.01270	1.2
98.09698	1.5
98.97598	3.5
102.04691	2.0
103.05463	100.0
104.05119	0.8
104.05752	3.4
105.04532	2.7
105.07008	0.5
110.01250	0.7
110.97559	0.6
113.07935	2.0
115.05435	1.3
116.06236	4.1
116.98628	3.5
117.05737	0.5
119.01757	1.1
128.02316	0.9
128.98608	1.3
129.06999	2.0
131.04924	86.3
131.08542	7.6
132.04410	0.7
132.05330	2.5
132.06549	0.6
132.08101	0.7
134.99652	3.2
146.99660	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.1591
Annotation	Octylamine
Peak:m/z	Relative Intensity
55.05502	2.1
56.05035	3.7
56.78627	1.2
56.96555	4.9
57.07073	91.6
58.06588	1.6
58.07370	1.7
59.06104	1.9
59.51527	1.2
62.92138	1.2
67.05501	1.6
68.05017	2.7
69.03426	40.0
69.07053	4.1
70.06581	4.0
70.32204	5.2
71.04975	1.9
71.93027	1.6
72.04511	1.8
72.08152	7.6
72.56080	1.2
74.09716	59.5
75.10024	1.6
84.04494	13.8
84.07627	1.3
84.08134	26.2
85.02882	2.3
85.07671	6.2
85.08457	2.1
86.06065	1.4
91.05489	2.7
98.21416	1.6
98.97630	2.5
103.05463	15.7
106.30719	1.2
112.07600	77.3
113.07161	2.7
113.07941	4.5
116.06130	1.3
130.05005	1.9
130.06548	20.6
130.08632	16.0
130.15912	100.0
131.04909	5.8
131.08708	1.2
131.16235	5.3
132.21413	1.2
133.37187	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69694	0.3
54.54013	0.2
55.01851	0.2
55.05518	0.3
56.05038	9.2
57.03440	0.7
58.06591	0.7
59.90999	0.2
60.05357	0.4
60.05648	6.2
65.14004	0.3
65.26321	0.3
67.05502	0.8
68.05033	0.4
69.03424	2.1
70.02907	0.2
70.06595	13.7
70.52811	0.3
70.53152	0.8
71.04996	14.8
71.06898	0.3
72.04518	0.4
72.05345	0.3
72.08162	3.2
82.06557	0.4
84.04506	100.0
84.08143	36.1
85.02904	4.9
85.04315	0.4
85.04832	2.6
85.06557	0.5
85.07668	6.9
85.08437	1.4
86.06087	1.3
86.06529	0.3
87.04468	0.8
88.07632	0.8
88.90343	0.2
89.02368	0.2
95.01332	0.5
95.04990	0.4
96.38148	0.2
100.73244	0.2
102.05537	1.4
103.05434	0.3
104.24245	0.3
106.75053	0.3
112.03998	0.5
112.07604	2.8
113.11572	0.5
114.05479	0.3
114.09184	1.3
130.02240	0.6
130.05008	6.3
130.06540	0.7
130.08659	3.6
130.09776	2.6
130.12308	0.9
131.07314	0.3
131.08153	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0865
Annotation	L-Pipecolic acid
Peak:m/z	Relative Intensity
56.05037	5.8
56.96552	0.4
58.06605	1.8
60.05650	3.7
67.05506	0.6
69.03423	0.4
70.04422	1.2
70.06594	7.6
71.04993	7.7
72.08169	1.4
84.04511	11.9
84.08144	100.0
85.02905	0.6
85.07668	12.1
85.08448	3.6
86.06073	0.9
88.07655	0.5
88.51705	0.4
89.03168	0.3
102.05526	0.5
112.07609	0.4
113.11555	0.3
130.05002	0.7
130.08662	8.6
130.09760	1.6
131.08170	3.0
131.09044	0.4
144.02898	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0653
Annotation	Isoquinoline
Peak:m/z	Relative Intensity
50.12259	0.2
51.02388	0.3
53.03949	1.4
55.01862	0.6
55.02987	0.5
55.05511	1.2
56.05042	3.4
56.96565	11.7
57.03436	1.3
57.07068	0.8
58.02969	0.2
58.06602	0.5
59.06115	1.1
60.04525	0.4
61.02914	0.9
64.49679	0.2
67.02996	0.2
67.05496	0.7
68.05012	0.3
69.03432	11.3
69.07070	1.7
70.02929	0.3
70.06592	2.1
71.04977	1.0
71.33191	0.5
71.89259	0.2
71.93005	0.5
72.04509	0.7
72.08158	5.2
72.93787	0.4
73.02929	1.8
73.08501	0.3
74.09715	0.3
74.97640	0.3
77.00778	0.8
77.03915	0.5
81.03407	1.1
82.06573	0.6
83.00768	0.7
84.01606	0.2
84.04505	25.1
84.08144	10.9
84.08546	0.2
84.96017	0.4
85.02902	2.6
85.04043	0.4
85.04846	0.7
85.07674	1.4
85.08460	0.9
86.06065	0.6
87.09214	0.3
87.93119	0.2
88.07610	0.6
89.00760	0.7
90.01553	1.0
90.04329	0.4
91.05469	0.4
92.01272	0.4
94.06564	0.3
95.04971	4.1
96.01575	0.3
97.02896	1.2
98.01302	0.8
98.97594	2.5
99.02067	0.5
102.04691	0.7
102.05499	0.2
103.05470	20.1
104.01311	0.3
104.05807	0.3
105.02019	0.3
105.04520	1.0
107.01823	0.4
110.01274	0.8
110.97596	0.4
112.05086	0.5
112.07608	19.0
113.07145	0.9
113.07912	0.5
113.11590	0.9
116.98614	3.0
119.01788	1.0
121.03506	0.3
125.96136	0.3
127.03992	0.4
128.02345	1.1
128.04979	2.8
128.98607	1.1
130.02188	0.7
130.06529	100.0
130.15906	0.5
131.04944	1.7
131.06883	4.1
131.08420	0.4
134.99660	2.8
137.02898	0.3
140.00250	0.3
146.06021	1.5
146.99692	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.3
52.97744	0.2
53.03944	1.7
55.01866	0.5
55.05496	0.5
56.05035	1.3
56.76254	0.2
56.96566	1.3
57.03428	0.3
58.06611	0.3
66.05891	0.2
69.03429	3.5
69.07098	0.2
70.06576	0.6
70.97458	0.4
72.08156	1.3
72.33755	0.2
73.02920	0.3
73.29788	0.2
77.03926	0.5
84.04504	9.2
84.08144	3.5
85.02888	0.5
85.07670	0.5
85.08465	0.4
92.01244	0.3
95.04964	4.1
98.01324	0.3
98.97594	0.6
100.61871	0.2
102.04719	0.6
103.05470	16.3
104.05795	0.3
105.04497	0.6
112.07606	6.2
113.07917	0.3
113.11581	0.3
116.98608	0.5
127.98384	0.3
128.04962	2.3
128.98589	0.3
130.06526	100.0
131.05034	0.2
131.06006	0.4
131.06866	4.1
146.05992	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0651
Annotation	Quinoline
Peak:m/z	Relative Intensity
50.53908	0.2
51.02365	0.4
53.03941	1.3
55.05502	0.3
56.05014	0.7
56.96562	1.3
57.03407	0.3
59.06113	0.5
67.05508	0.3
67.12347	0.2
69.03425	6.5
69.07043	0.4
70.06584	0.3
71.04986	0.4
71.09432	0.5
71.09779	0.2
71.82944	0.2
71.93013	0.4
72.04504	0.3
72.08154	1.6
72.93766	0.5
73.02921	0.2
77.03902	0.4
79.38384	0.2
81.03392	0.2
81.20552	0.2
82.06565	0.4
84.04494	1.8
84.08130	3.9
84.52585	0.2
85.07656	0.4
88.59183	0.2
90.04226	0.2
90.94771	0.3
95.04950	3.2
98.97597	0.5
102.04660	0.6
103.05459	13.5
104.05771	0.4
105.04495	0.5
112.07596	12.5
113.07906	0.4
116.98640	0.3
128.04948	2.1
130.06516	100.0
131.06839	3.8
146.05998	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.05
Annotation	(R)-(+)-2-Pyrrolidone-5-carboxylic acid
Peak:m/z	Relative Intensity
53.00315	0.3
55.05510	0.2
56.05034	8.4
56.96560	1.0
57.03425	0.7
57.07072	0.2
58.06593	0.6
60.05645	1.1
67.05499	0.7
68.05045	0.1
69.03429	1.5
70.02974	0.2
70.06590	2.6
70.28249	0.5
71.04990	2.3
72.08138	0.8
73.02897	0.2
80.14870	0.1
84.04502	100.0
84.08138	18.9
85.02901	6.6
85.04829	2.1
85.06556	0.7
85.07662	4.5
85.08423	0.8
86.06061	0.4
95.01309	0.8
97.02851	0.1
97.05428	0.1
98.01263	0.2
98.97588	0.4
102.05547	1.6
112.03970	0.3
112.07600	2.6
113.11581	0.8
116.98638	0.3
119.01777	0.2
130.04999	7.9
130.08624	1.9
130.09729	0.5
130.12274	1.4
131.05397	0.2
131.08150	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.05
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.2
56.05036	8.0
56.96563	0.8
57.03426	0.9
57.07070	1.1
58.06591	0.7
60.05644	0.7
67.05502	3.0
67.05832	0.3
68.05033	0.3
69.03432	2.2
69.07094	0.2
69.56023	0.2
69.90027	0.4
69.90437	0.6
70.06594	2.9
71.04999	1.5
72.04513	0.3
72.08155	0.6
74.02436	0.2
82.06567	0.2
83.00781	0.2
84.04504	100.0
84.08141	36.0
85.02905	6.5
85.04269	0.3
85.04824	2.3
85.05220	0.2
85.06548	4.8
85.07661	5.2
85.08430	0.9
85.08987	0.2
86.06072	0.4
88.07703	0.2
95.01340	0.8
98.97594	0.4
102.05544	1.9
112.03982	0.4
112.07607	3.5
112.08755	0.2
114.09177	0.5
128.90448	0.2
130.05005	7.5
130.06537	0.4
130.08641	2.8
130.09665	0.3
130.12277	8.1
130.13263	0.4
131.05360	0.3
131.08162	1.0
131.12651	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.3
55.05507	2.1
55.93504	0.6
56.05037	3.4
56.96563	1.3
57.03430	0.4
57.07071	0.5
58.06598	22.2
65.06271	0.5
67.05508	1.6
69.03429	4.4
69.07071	0.8
69.57780	0.9
69.58183	2.7
70.06589	3.2
71.04992	1.1
72.04549	0.3
72.08155	14.4
72.93781	0.4
73.08485	0.6
74.02438	0.4
77.51832	0.4
81.55785	0.4
82.06590	1.0
83.06103	1.3
83.06914	0.6
84.04507	22.3
84.08142	100.0
85.02908	1.5
85.06549	0.9
85.08485	2.0
88.07618	0.5
97.02917	0.4
98.09721	0.7
107.58187	0.5
109.28284	0.4
112.07619	8.6
112.11242	97.8
113.11584	3.6
117.37692	0.4
119.01913	0.6
129.01840	6.6
129.10216	0.5
129.13876	14.7
130.05009	1.7
130.06502	2.0
130.08667	2.4
130.09453	0.4
130.12256	0.8
137.02992	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0101
Annotation	3-Chlorophenol
Peak:m/z	Relative Intensity
55.01871	1.5
60.66235	0.4
65.03934	55.4
65.22475	0.4
66.04275	1.4
66.04711	1.6
68.99795	0.4
69.03416	1.1
69.07061	1.0
69.92483	2.5
71.01356	0.7
71.82025	0.4
74.98147	0.7
75.36714	0.4
78.44547	0.4
79.01834	0.5
91.05457	1.5
93.03404	6.5
94.04177	100.0
95.04510	2.5
98.20802	0.5
100.00278	0.4
100.99705	4.7
103.50525	0.4
111.04429	50.1
112.04734	0.7
112.07603	1.1
113.99246	0.4
121.03974	11.6
128.06218	0.9
129.01021	77.4
129.07008	0.9
130.01367	2.0
139.00580	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0391
Annotation	5-Hydroxymethyl-2-furaldehyde
Peak:m/z	Relative Intensity
51.02374	0.9
51.59337	0.8
53.00292	1.2
53.03706	0.9
53.03946	16.2
54.03465	1.0
55.01620	1.5
55.01869	16.4
55.05507	7.4
56.03884	0.8
56.05042	5.1
56.96563	5.4
57.03431	4.1
57.04543	1.2
58.06596	8.9
59.06120	3.5
59.07367	1.3
60.04521	0.9
60.06462	0.8
60.84776	0.8
65.03938	1.5
67.01862	1.3
67.04233	0.9
67.05495	1.5
67.93561	4.0
68.05029	8.5
69.03427	11.2
69.04530	1.7
69.05354	2.2
70.04080	1.1
70.06593	13.5
70.83717	1.8
71.04991	12.0
71.07365	1.0
72.04515	3.4
72.08127	1.3
75.11922	0.7
79.05479	1.5
80.05003	2.1
81.03413	43.8
81.04532	2.1
81.07050	3.3
82.02927	1.2
82.03741	1.7
82.06572	17.9
83.01349	1.3
83.06073	3.7
83.06875	1.0
84.04497	4.5
84.06428	0.7
84.08130	9.9
85.02896	3.2
85.07677	3.2
86.06059	10.3
86.08014	0.9
87.06842	5.5
92.04986	1.1
94.06556	0.9
95.01313	9.6
95.06078	2.0
95.51868	0.8
96.00831	0.9
96.06879	1.5
97.02891	2.2
97.07667	4.4
97.83590	0.7
98.03685	0.9
98.07182	1.0
98.98458	43.3
99.04459	9.5
99.05559	1.1
99.09250	0.9
100.07641	5.2
104.56020	2.3
109.02874	55.3
109.07619	11.2
110.02383	2.0
110.03204	2.4
110.06037	7.3
110.07893	0.9
111.04411	0.9
111.09200	13.3
113.03512	1.5
116.99493	1.9
123.07927	4.7
127.03910	100.0
127.04926	4.3
127.08662	9.4
127.10603	1.4
127.12296	1.0
128.03419	1.5
128.04248	3.5
128.07076	11.9
128.08057	1.2
128.11844	1.3
134.05963	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0391
Annotation	Benzene-1,2,4-triol
Peak:m/z	Relative Intensity
51.57977	1.1
53.00298	1.7
53.03940	21.9
55.01865	13.9
55.05505	13.6
56.05022	1.7
56.94299	1.7
56.96556	6.4
57.03417	3.7
58.06570	1.5
58.18628	1.0
67.01860	1.1
67.05481	1.4
67.93538	1.3
68.05029	1.0
69.03069	1.9
69.03419	21.4
70.06574	3.9
71.01360	1.3
71.04990	11.3
71.58522	1.1
71.58874	1.4
72.04515	2.0
72.93774	1.7
81.03409	47.0
81.07030	2.0
82.03732	2.7
82.06571	36.5
82.07057	2.0
83.01337	1.9
84.08135	5.3
85.00648	1.1
85.02896	2.9
85.07624	1.6
86.06042	3.0
90.94799	1.5
93.20518	1.0
95.01315	3.0
97.02871	4.0
97.85250	1.0
99.04462	6.9
100.07614	5.5
109.02865	56.7
109.07586	1.0
110.03223	2.0
110.05974	1.7
111.09200	4.4
113.96346	1.7
116.97232	2.0
118.03473	1.7
119.01917	2.6
121.01637	3.3
122.02036	4.1
127.03902	100.0
127.08634	1.9
128.04266	3.2
128.07063	16.0
128.10664	2.4
131.01855	1.2
131.97423	1.5
137.02977	1.5
139.02698	2.6
140.03093	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0391
Annotation	Phloroglucinol
Peak:m/z	Relative Intensity
51.59676	3.9
53.03930	19.8
55.01871	24.6
55.05486	4.3
57.03411	4.9
58.06576	11.2
59.06110	5.2
68.04999	6.9
68.54706	3.9
69.03420	7.4
70.06574	5.8
71.04974	13.2
81.03413	34.0
82.06573	7.2
84.05624	14.4
85.07665	12.8
86.03555	5.6
86.06059	6.7
89.81843	4.3
93.54999	4.2
99.04448	8.9
109.02880	44.2
110.07141	7.9
111.09239	6.3
127.03928	100.0
127.08678	4.4
127.09782	14.7
128.11809	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	127.0391
Annotation	1,2,3-Trihydroxybenzene
Peak:m/z	Relative Intensity
50.01593	0.4
50.45453	0.2
51.02377	1.2
52.03165	0.3
53.00307	4.1
53.03944	19.8
54.04281	0.7
55.01870	5.4
55.05503	1.0
56.05025	0.4
57.03432	2.4
57.04535	0.3
65.03936	1.6
67.01869	0.8
67.05510	0.2
68.99776	0.4
69.03426	13.3
70.03753	0.3
70.06606	0.3
71.01339	0.4
71.04992	4.8
71.57246	0.2
72.08151	0.4
80.02609	0.4
80.05009	0.2
81.03413	89.9
82.03740	2.7
82.06573	1.9
83.01339	1.9
83.05002	0.3
84.02112	0.2
84.04488	0.6
84.08118	0.5
85.02898	1.8
87.00838	0.2
97.02895	1.8
97.87304	0.2
98.03114	0.3
98.03683	3.1
99.03841	0.3
99.04455	4.4
100.07629	0.4
109.02873	100.0
110.03213	3.5
110.06031	0.7
111.28630	0.2
118.25809	0.2
127.03909	19.0
128.04233	0.7
128.07082	1.1
141.52913	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0394
Annotation	Nitrobenzene
Peak:m/z	Relative Intensity
50.55788	0.3
53.03941	1.4
54.03464	1.4
54.04275	1.0
55.01871	0.5
55.05505	0.5
56.05033	5.9
56.96564	3.9
57.03428	0.3
58.06594	1.1
58.99863	0.5
59.07389	0.4
60.95863	0.3
64.92792	0.4
65.03933	0.4
66.03465	0.3
67.04231	0.9
67.05502	1.6
68.05022	4.3
68.05836	0.4
69.03432	0.9
69.04554	1.4
69.05363	0.3
69.07070	0.3
70.06596	1.2
70.55318	0.9
71.01334	0.4
77.00898	0.8
78.03453	1.1
78.04282	0.3
78.04708	8.2
78.06329	0.8
79.03815	0.5
79.04211	0.5
79.05077	0.4
79.05476	2.1
79.16637	0.3
80.05013	33.5
81.03452	0.4
81.04567	5.4
81.05342	21.4
81.07066	0.9
82.02896	0.4
82.05323	0.8
82.06585	1.1
82.92892	3.9
82.94842	1.0
82.99814	0.4
83.06099	11.9
83.93009	0.4
84.04505	0.5
84.06872	0.7
84.08138	0.4
92.05777	0.3
94.06561	0.5
95.04974	2.1
95.06081	1.8
96.04489	22.4
96.05280	2.8
96.06865	0.9
96.08105	1.6
97.02874	2.0
97.04185	0.6
97.04810	7.2
97.05386	0.5
97.06543	0.7
97.07650	6.3
98.06057	0.6
98.97582	0.3
100.02477	1.1
100.93911	1.1
101.00872	6.5
101.02544	2.5
102.00934	0.4
102.02264	1.4
104.05805	0.5
105.03386	0.6
106.03016	0.2
106.04155	1.1
106.04816	0.4
106.06538	1.0
107.03247	1.1
107.04993	1.5
107.06078	9.1
108.04476	1.0
109.06429	0.3
111.54890	0.3
112.03954	3.0
116.98598	0.4
117.01788	0.3
117.10252	0.6
118.03513	1.7
118.63170	0.3
119.01913	95.0
119.03631	2.6
120.01992	5.6
120.03186	1.5
121.02355	0.5
123.04424	3.6
123.95494	1.0
123.96471	0.5
124.03954	100.0
124.05116	4.7
124.05907	53.8
124.07559	4.2
124.08703	13.1
124.11196	0.3
125.02365	0.7
125.03447	0.3
125.04290	4.1
125.06052	1.5
125.07105	3.5
127.82815	0.3
137.02948	67.3
138.03036	4.3
139.03372	0.5
140.03406	2.5
141.96609	0.4
142.03484	5.0
143.03642	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84815	0.1
58.99841	0.2
60.00650	0.2
60.27652	0.1
64.25048	0.2
71.00970	0.5
82.01439	0.2
82.99850	0.7
83.01537	0.2
100.02482	1.4
101.00869	10.1
101.02545	2.9
102.00957	0.4
102.02238	1.2
111.32221	0.2
115.50666	0.2
118.03512	0.9
118.46900	0.2
119.01913	100.0
119.03644	2.8
120.01991	4.1
120.03220	1.1
121.02316	0.5
124.02454	0.2
124.42022	0.2
132.62454	0.2
133.03471	0.3
137.02946	59.9
138.03027	2.7
139.03381	0.3
142.03491	5.0
143.03709	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0395
Annotation	Isonicotinic acid
Peak:m/z	Relative Intensity
53.03934	0.9
54.03469	0.5
54.04293	0.2
56.04776	0.2
56.05031	2.3
56.96558	0.7
58.06600	0.4
65.46391	0.3
66.03425	0.2
67.05514	0.2
68.05027	1.5
69.04542	0.6
70.06589	0.6
70.15315	0.9
70.34012	0.2
71.09280	0.2
77.21480	0.2
78.03449	1.4
78.04247	0.2
78.04693	0.5
79.04213	0.3
79.05486	0.5
80.05011	24.9
81.04540	1.6
81.05346	2.3
81.05789	0.3
82.05316	0.4
82.06566	0.3
82.92880	0.6
83.06097	3.9
95.04929	0.4
95.06065	0.6
96.04487	18.3
96.05244	1.0
96.06884	0.3
96.08118	0.4
97.02880	0.7
97.04820	1.0
97.07644	1.7
100.02471	0.4
101.00868	1.9
101.02604	0.4
102.02290	0.4
105.10740	0.2
107.06070	2.8
112.03957	1.1
117.10153	0.2
118.03479	0.3
119.01913	21.4
120.01994	1.1
123.04366	0.3
124.03947	100.0
124.05840	6.3
124.07609	0.8
124.08669	4.1
125.02338	0.3
125.04292	3.0
125.07102	1.1
125.10880	0.2
137.02948	13.9
138.03099	0.8
140.03436	1.2
142.03510	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
54.03501	0.1
55.32358	0.1
56.05038	0.4
56.96566	0.4
57.03428	0.1
58.06584	0.2
58.99858	1.4
59.07373	0.1
60.00645	0.2
68.05037	0.5
69.04567	0.2
70.99860	0.6
71.01321	0.1
71.17067	0.3
77.00500	0.1
77.00909	2.2
77.21161	0.1
78.03471	0.6
78.04705	0.3
78.06332	0.3
80.05014	7.8
81.04553	0.3
81.05332	0.7
81.07038	0.1
82.01448	0.2
82.06580	0.4
82.92883	1.0
82.94835	0.1
82.99860	0.5
83.06120	0.6
84.08139	0.1
89.00898	0.5
95.01935	0.8
95.04962	0.3
96.04494	6.9
96.05289	1.4
96.66472	0.1
97.02884	0.4
97.04784	0.3
97.07681	0.2
98.03554	0.2
100.02477	0.9
100.93915	0.1
101.00872	9.4
101.02551	0.7
102.00908	0.6
102.02253	0.3
107.03308	0.2
107.06080	0.4
108.04388	0.2
112.03973	0.3
115.02425	0.1
117.10254	0.2
118.03521	0.9
119.01917	100.0
120.01997	5.9
120.03287	0.3
121.02362	0.5
123.04327	0.1
123.95534	0.2
124.03950	29.5
124.05842	1.6
124.08689	0.8
125.02345	0.2
125.04283	0.7
125.06176	0.1
125.07071	0.3
125.10786	0.3
133.03490	0.4
137.02951	58.5
138.03041	3.5
139.03363	0.4
140.03442	0.4
142.03493	5.6
143.03685	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.1
55.05492	3.9
56.22605	0.7
57.07074	5.0
61.80031	0.8
65.03915	1.2
67.05502	26.2
69.07049	1.6
71.59328	1.0
71.59721	1.4
74.50485	0.8
79.05487	18.5
80.05013	15.5
80.05788	1.0
81.03407	1.1
81.07053	100.0
82.07379	2.7
93.07039	2.6
95.04969	28.2
95.08604	13.8
95.58427	0.8
96.04492	8.6
96.05066	1.3
96.08092	1.0
100.02482	4.5
106.07353	2.1
108.05717	1.1
108.07669	3.6
112.03940	2.7
118.03503	5.7
119.01929	8.7
123.04420	5.2
123.05537	28.3
123.08057	13.7
123.09016	1.5
123.09985	4.1
123.11713	11.9
124.03950	15.0
124.07572	2.6
124.08704	1.2
130.81525	0.8
137.02943	7.7
140.03430	1.4
142.03479	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	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.1
53.03944	11.6
54.03463	1.3
55.01859	1.1
55.05504	3.4
56.05019	2.4
57.07066	3.5
58.06612	0.7
58.99854	0.7
65.03937	1.4
67.05501	16.1
68.05013	2.9
69.04543	0.9
69.07053	1.6
70.06590	1.4
71.59592	1.1
77.03917	2.7
79.05486	11.8
80.05014	24.8
80.05749	1.0
81.03418	1.9
81.04543	3.2
81.07051	73.8
82.01454	2.1
82.04858	1.0
82.07374	1.9
83.06089	4.0
93.07025	2.1
94.07783	0.7
95.04963	100.0
95.08038	1.1
95.08596	12.4
96.04485	11.5
96.05290	3.9
96.08120	1.3
97.07645	3.9
100.02476	26.0
101.02575	1.9
105.03375	1.4
105.04510	4.5
105.07065	1.5
106.02892	1.5
106.06590	0.8
106.07344	0.9
107.06069	4.1
108.05727	0.7
108.07687	1.5
112.03963	3.9
118.03514	24.1
119.01915	10.2
119.03602	2.3
121.10148	0.6
123.03548	1.3
123.04434	24.6
123.05551	44.8
123.07394	2.2
123.08198	5.0
123.09019	0.9
123.09987	1.9
123.11702	14.4
123.12574	1.0
124.03958	18.1
124.04836	1.3
124.05919	1.8
124.07681	1.1
124.08696	8.9
124.12052	0.6
137.02936	6.0
140.03418	2.5
141.05132	1.1
142.03474	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.5
53.03938	5.3
55.01864	0.6
55.05503	5.3
56.96563	0.5
57.07072	3.8
65.03931	1.7
67.05495	20.6
68.05006	1.0
69.03426	0.6
69.07053	2.5
71.59537	0.6
71.59961	0.6
77.00879	0.4
77.03935	0.7
78.03453	0.8
79.05481	16.9
80.05007	13.4
81.03426	1.0
81.04562	0.7
81.07046	100.0
82.01437	1.5
82.07372	2.3
91.05539	0.4
93.07032	1.4
94.07817	0.9
95.04959	25.6
95.08591	10.4
95.09158	0.8
96.04478	7.2
96.05157	0.7
96.05265	0.6
97.07637	0.8
100.02471	20.8
101.00855	0.7
101.02558	1.8
105.04501	0.9
106.02985	0.6
106.07360	0.6
108.05762	0.9
108.07679	1.2
108.09413	0.7
112.03956	2.0
118.03509	21.0
119.01899	7.2
119.03596	1.7
121.10140	0.9
123.04429	5.4
123.05550	25.3
123.08105	4.7
123.09991	1.9
123.11687	14.8
123.12570	0.8
124.03941	9.7
124.04825	0.9
124.05904	1.0
124.07610	1.2
124.08696	1.6
124.11982	0.7
137.02913	4.4
140.03419	1.2
141.05084	1.3
142.03471	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0556
Annotation	Picolinamide
Peak:m/z	Relative Intensity
51.02377	0.5
51.10167	0.2
53.03947	4.0
54.03477	0.6
55.05505	0.5
56.05040	0.8
56.96552	0.4
58.06592	0.7
61.02916	0.3
67.05511	2.5
68.05026	2.0
69.04544	0.4
70.74593	0.8
70.74932	0.3
77.00899	0.4
77.03943	0.8
78.03459	2.4
78.06365	0.3
79.05494	1.6
80.05016	67.8
81.03442	0.5
81.04549	1.0
81.05340	1.4
81.07056	1.8
82.06577	0.3
82.92908	0.5
83.06091	1.3
84.08179	0.3
95.04972	20.5
95.06086	1.3
95.08603	0.7
96.04491	23.8
97.04832	0.4
97.07630	0.6
100.02483	2.6
101.00877	1.3
105.03388	0.5
105.04515	1.9
106.02907	3.2
107.06045	0.6
112.03974	0.7
117.10246	0.4
118.03530	2.6
119.01926	12.2
123.04560	4.4
123.05551	100.0
123.09090	1.6
123.11682	0.4
124.03952	17.0
124.05841	2.3
124.07610	0.2
124.08690	1.0
136.04582	0.3
137.02960	6.6
140.03433	0.7
141.52258	0.3
142.03473	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.3
51.02384	0.7
53.03944	3.2
54.03471	0.9
55.01873	0.9
55.05511	0.5
56.05035	0.9
56.96566	2.1
57.03437	0.7
57.58275	0.2
58.06606	1.0
58.99869	0.7
59.07375	0.3
60.08179	0.2
61.02907	0.4
65.03955	0.6
67.02967	0.3
67.05502	3.6
68.05024	2.1
68.99794	0.3
69.03429	0.5
69.04550	0.3
70.06590	0.5
70.82281	0.4
70.82618	0.4
73.02928	0.4
74.26300	0.2
76.29719	0.2
77.00906	1.1
77.03933	1.0
78.03443	2.3
78.06332	0.6
79.04241	0.3
79.05487	1.9
80.05015	63.7
80.93211	0.3
81.03435	0.9
81.04538	1.4
81.05338	1.1
81.07055	3.1
82.01457	0.4
82.04859	0.2
82.06573	0.6
82.92890	1.3
82.94884	0.3
83.06121	1.0
84.08151	0.3
85.02879	0.2
88.02679	0.2
93.07056	0.3
95.01323	0.3
95.01941	0.6
95.04967	32.9
95.06079	1.5
95.08614	0.7
96.04491	24.4
96.08127	0.4
97.05320	0.3
97.07649	0.6
98.97603	0.4
100.02480	6.4
100.93913	0.6
101.00867	3.0
101.02596	0.4
102.02421	0.3
103.05464	0.3
103.60638	0.2
105.03391	0.7
105.04518	2.2
106.02911	4.1
107.04965	1.9
107.06081	0.9
108.05755	0.3
109.01033	0.3
111.02951	0.3
111.05530	0.2
112.03963	1.8
116.98647	0.4
117.10263	0.8
118.01167	0.3
118.03520	7.1
119.01920	40.7
123.04501	6.7
123.05547	100.0
123.09163	1.2
123.11668	0.3
123.95511	0.5
124.03951	16.0
124.05892	3.1
124.07667	0.5
124.08710	2.0
124.11205	0.3
131.01894	0.5
133.03435	0.3
134.99655	0.2
136.04555	0.8
137.02953	27.8
140.03391	1.3
141.05084	0.3
142.03488	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	123.0555
Annotation	Picolinamide
Peak:m/z	Relative Intensity
51.02375	0.6
53.03956	1.5
55.01868	0.3
57.03426	0.9
58.99872	0.7
60.33513	0.2
61.02934	0.5
65.52187	0.3
67.05513	0.5
68.02634	0.4
68.05034	0.4
69.03427	0.5
70.25607	0.5
70.25996	0.6
73.02897	0.4
77.00896	0.6
77.03920	0.6
78.03449	12.2
79.03809	0.3
79.04242	0.5
80.05013	45.8
81.01950	0.3
81.03410	0.5
81.05349	0.8
82.01454	1.0
88.02634	0.4
89.00887	0.4
93.07020	0.3
95.01947	0.4
95.04968	4.0
95.06078	0.3
96.04489	16.8
100.02477	10.5
101.00867	3.5
101.02577	0.5
102.02364	0.4
103.05486	0.5
103.91711	0.2
105.03375	0.6
105.04504	1.0
105.06159	0.3
106.02911	23.0
107.03294	0.4
111.02874	0.3
118.01127	0.8
118.03515	8.0
119.01917	24.6
120.02074	0.2
120.03325	0.4
123.04574	3.7
123.05544	100.0
124.03949	10.0
124.05876	2.2
131.01891	1.0
136.04553	0.4
137.02954	11.9
137.04016	0.6
141.05058	0.4
142.03474	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01590	0.6
50.20374	0.4
51.02368	3.5
51.49097	0.3
51.71388	0.3
53.03940	12.2
54.03466	1.1
54.41117	0.4
55.01866	2.8
55.05528	0.4
56.05024	1.4
56.96535	0.8
58.78588	0.5
65.03942	2.8
67.02966	0.5
67.05499	14.7
68.05025	2.3
68.05825	0.8
69.04539	0.5
70.06583	0.6
71.03671	0.9
71.04011	0.5
77.03922	8.8
78.03442	0.6
78.04717	0.6
79.05491	2.3
80.05009	16.3
81.03398	1.3
81.04543	1.9
81.07062	2.6
82.06566	0.8
83.06097	2.9
95.04959	100.0
95.08606	1.1
96.04482	7.3
96.05289	2.1
97.05673	0.4
97.07658	1.6
100.02464	5.0
101.00912	1.2
105.03387	8.8
105.04482	5.6
106.02916	0.5
106.06551	0.7
106.07303	0.4
107.06083	1.7
112.03959	1.2
118.03506	5.4
119.01910	12.0
123.04424	83.4
123.05529	29.5
123.09128	0.8
123.10019	0.8
124.03934	6.3
124.04778	2.6
124.05872	0.6
124.07622	1.0
124.08715	3.2
137.02945	7.4
140.03421	0.6
142.03493	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.8
51.02387	1.7
53.03947	9.1
55.01871	1.8
56.96561	0.7
57.03429	1.2
58.06599	0.7
58.99868	1.4
65.03918	0.7
67.05511	4.3
68.05025	1.3
69.03408	0.7
69.04562	0.8
70.99857	0.9
71.42428	1.1
76.67917	0.5
77.00905	1.8
77.03942	3.0
78.03449	6.7
79.05481	0.6
80.05016	45.4
81.03419	1.8
81.07051	0.6
82.01451	1.3
82.92896	1.2
82.99834	1.2
95.01946	1.3
95.04968	75.1
96.03902	1.2
96.04494	19.9
96.05610	1.8
100.02484	10.1
101.00875	12.3
101.02546	0.6
105.03392	0.7
105.04519	4.4
106.02917	10.9
111.02925	0.6
118.01130	1.2
118.03520	9.0
119.01920	100.0
120.02222	0.5
123.04438	13.9
123.05547	58.0
123.06474	1.9
124.03953	38.4
124.05872	1.3
124.08748	0.6
131.01894	1.2
134.91119	0.6
136.04581	1.1
137.02956	53.9
142.03513	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	123.0442
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01595	1.7
51.02376	5.1
53.03701	0.9
53.03942	15.0
54.03468	0.5
55.01866	1.6
56.05017	0.5
59.95247	0.4
61.65305	0.4
65.03931	1.8
67.05495	10.6
68.05012	0.5
68.24339	0.4
70.01435	0.7
70.01844	1.5
77.03922	12.0
79.05487	1.0
80.05009	3.0
81.03420	2.2
81.04524	0.9
81.07049	4.5
83.06086	0.9
95.04959	99.3
96.04485	2.0
96.05265	2.5
97.07645	0.6
98.20750	0.6
100.02482	2.7
105.03391	12.9
105.04491	7.5
107.06091	0.9
118.03506	2.4
119.01891	1.0
123.04419	100.0
123.05474	5.8
123.09980	0.8
123.11710	1.2
124.03897	1.5
124.04758	3.4
124.08733	1.3
137.02934	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01584	0.6
50.87764	0.2
51.02373	1.3
53.00290	0.4
53.03708	0.4
53.03947	7.3
53.37282	0.2
54.03472	1.4
55.01872	1.2
55.03791	0.3
55.05512	1.0
56.05034	2.0
56.96555	0.6
57.07055	0.2
58.06596	0.3
58.99846	0.2
61.50931	0.2
65.03929	1.3
67.04248	0.2
67.05503	7.6
68.05034	2.3
69.03421	0.3
69.04557	0.5
69.07063	0.3
70.06580	0.9
71.22633	0.4
77.00917	0.2
77.03932	2.2
78.03448	0.8
79.05487	2.7
79.79285	0.2
80.05014	18.6
80.81493	0.2
81.03423	1.6
81.04539	2.6
81.05341	0.4
81.05788	0.3
81.07053	7.7
82.01437	0.3
82.02928	0.2
82.04871	0.4
82.05318	0.6
82.06567	0.7
83.05644	0.5
83.06094	2.6
84.06904	0.2
91.05490	0.3
93.07033	0.7
94.02915	0.2
95.04966	100.0
95.08594	2.1
96.04491	10.1
96.05293	2.4
96.06414	0.2
96.08157	0.3
97.07647	1.9
100.02479	7.9
101.00873	0.5
101.02580	0.2
104.05831	0.4
105.03447	1.0
105.04509	5.3
105.06995	0.4
106.02909	1.2
106.04845	0.3
106.06618	0.4
106.07378	1.3
107.06084	2.1
108.05725	0.6
108.07670	1.9
111.05570	0.4
112.03968	3.3
118.03519	10.4
119.01922	9.2
119.02811	0.3
119.03636	0.8
123.04443	17.1
123.05557	27.4
123.07443	2.0
123.08080	3.0
123.09195	1.0
123.09963	1.8
123.11677	1.1
124.03952	9.6
124.04887	0.6
124.05899	0.7
124.07698	0.3
124.08703	4.6
125.07136	0.3
136.04553	0.3
137.02954	8.1
139.05048	0.2
140.03392	1.8
140.37105	0.2
141.05087	0.6
142.03510	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0443
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01594	1.7
51.02381	5.4
53.03707	0.7
53.03947	10.7
54.03468	1.9
54.04285	0.3
55.01872	4.0
55.05500	1.1
56.05035	2.8
65.03944	4.0
67.04233	0.8
67.05505	24.1
68.05029	4.3
68.99796	0.8
69.04553	0.4
70.06576	1.0
71.06014	0.9
74.07997	0.3
76.11987	0.4
77.03930	10.9
78.03452	0.9
78.04250	0.5
79.05496	3.5
80.05016	17.4
81.03426	2.1
81.04537	3.3
81.07055	7.1
82.01446	0.5
82.04860	0.6
82.05338	1.0
82.06574	1.0
83.05659	0.4
83.06105	3.5
93.07039	0.7
94.04188	0.4
94.06563	0.5
95.04970	100.0
95.08614	2.1
96.04494	10.0
96.05301	2.3
96.06413	0.4
96.08134	0.5
96.52982	0.3
97.07652	3.2
100.02476	3.6
101.00889	0.4
105.03393	12.9
105.04491	6.0
106.02915	1.1
106.03654	0.4
106.04833	0.6
106.07381	1.1
107.04991	0.5
107.06084	3.2
108.07660	1.3
112.03947	3.1
118.03513	3.8
118.04232	0.5
119.01923	7.2
121.14368	0.3
123.04440	95.9
123.05539	24.2
123.08061	3.1
123.09187	1.5
123.10013	1.2
123.11684	1.0
124.03955	8.7
124.04811	2.6
124.05804	0.4
124.07813	0.6
124.08723	5.4
125.07149	0.3
137.02956	5.0
140.03429	1.0
141.05191	0.4
142.03551	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.4
53.03944	1.9
55.01864	1.4
56.96562	1.2
57.03426	1.5
58.99849	2.3
59.89351	0.4
61.02913	0.7
65.03934	0.5
67.05505	1.5
69.03423	1.4
70.86366	0.8
70.86742	0.8
70.99857	0.5
71.48106	0.4
72.45048	0.4
73.02912	0.9
77.00895	3.3
78.03443	2.4
78.06352	0.5
80.05010	25.9
80.52718	0.7
81.03402	1.3
81.05350	0.9
81.07047	0.7
82.01435	7.5
82.99828	0.9
85.02882	0.7
88.02674	1.0
89.00863	0.5
93.02029	0.4
95.01939	1.3
95.04964	14.3
95.06014	0.6
96.04484	9.2
97.02876	0.8
98.52695	0.5
100.02473	61.8
101.00867	10.9
101.02547	4.5
101.73591	0.4
102.02333	0.6
105.04505	1.0
106.02901	4.5
107.29755	0.4
110.61511	0.4
111.02919	0.6
115.02431	0.7
118.01212	2.0
118.03511	51.4
119.01910	100.0
119.03586	3.3
123.04460	3.1
123.05538	54.8
124.03944	7.7
124.05899	0.9
131.01883	2.2
133.03438	0.9
136.04538	2.0
137.02945	52.9
141.05106	0.9
142.03493	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	123.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62708	0.3
58.99873	1.1
59.56750	0.3
65.19049	0.3
68.00237	0.3
68.39162	0.3
69.96555	1.5
73.19839	0.3
77.00925	0.9
79.82013	0.3
82.01443	6.0
82.99832	0.7
100.02478	49.0
101.00874	10.3
101.02539	3.2
118.03516	37.6
119.01913	100.0
119.03592	2.4
121.02362	0.5
123.04061	0.8
133.17953	0.3
136.04530	1.2
137.02950	52.0
141.05110	0.6
142.03493	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	121.1013
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02375	1.7
53.03951	11.7
54.03463	3.5
55.01867	4.0
55.05512	7.7
56.96555	3.9
65.03946	9.5
67.05505	48.2
68.05824	1.3
71.58899	1.2
71.59312	1.1
77.03918	1.6
78.04698	0.9
79.05492	100.0
80.05023	1.7
80.05820	3.0
80.06264	1.8
81.03403	2.3
81.04547	5.9
81.07032	1.4
82.05322	5.5
91.05477	33.3
92.05844	1.6
93.03366	1.1
93.04546	1.2
93.07043	85.7
94.06580	1.9
94.07381	2.8
95.04363	1.6
95.04965	24.0
95.06045	1.7
96.05303	0.9
103.05473	14.1
104.05797	1.3
105.04518	5.1
105.07030	40.4
106.06543	3.5
106.07815	2.3
107.07335	26.2
111.04428	1.0
112.03957	1.9
116.98616	1.4
119.08590	4.8
121.02880	4.3
121.03976	2.4
121.06513	16.9
121.07518	1.8
121.10142	28.3
122.06039	4.2
122.07153	26.9
122.09660	25.5
122.10367	1.0
123.08062	4.2
123.54081	0.9
133.07607	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02369	0.8
53.03945	4.7
54.03468	1.0
55.01872	0.5
55.05509	9.0
56.96573	0.3
59.08403	0.4
60.01828	0.3
65.03939	3.1
67.05503	63.7
68.05836	1.7
69.49740	2.3
77.03918	1.0
79.05491	100.0
80.05820	2.8
80.06277	0.8
81.04537	1.5
81.07040	0.6
82.05325	0.6
91.05482	13.5
92.05783	0.4
93.07040	75.8
94.07357	2.3
94.98802	0.3
95.04962	12.4
103.05462	1.9
105.04503	2.0
105.07019	5.3
106.07854	0.4
107.07313	2.6
119.08575	1.4
121.02892	0.5
121.03950	0.4
121.04914	0.3
121.06554	2.3
121.10140	33.3
122.07150	4.4
122.09652	2.3
122.10462	1.4
123.08083	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.3
53.03941	7.1
53.45274	0.5
54.03465	1.6
55.01873	0.7
55.05507	5.7
56.05038	0.6
60.00193	0.4
65.03928	2.2
67.05492	3.4
68.03905	0.4
69.34053	5.4
74.43784	0.4
77.03928	1.4
79.05485	54.2
80.05026	0.8
80.05811	1.8
80.06258	0.7
81.03438	1.2
81.04530	2.9
81.07048	0.8
82.05328	1.6
91.05472	19.1
92.05814	1.0
93.07033	32.2
94.06594	1.1
94.07365	1.2
95.04960	17.8
95.06036	0.9
96.05311	0.6
103.05458	20.7
105.04576	2.3
105.07020	100.0
106.06521	1.5
106.07285	2.4
106.07932	5.2
107.07327	14.4
112.75860	0.5
119.08569	13.6
120.08051	0.5
120.08952	0.4
121.02850	1.4
121.03999	1.4
121.06510	6.5
121.10130	50.6
122.06024	1.9
122.07137	8.7
122.09657	16.5
122.10474	2.6
123.08054	14.0
133.07607	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	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02372	1.4
52.91320	0.5
53.03940	8.1
54.03468	5.2
55.01862	1.7
55.05498	2.3
55.05740	0.5
56.15094	0.4
56.96552	0.9
58.02932	0.6
65.03940	6.2
67.02990	0.6
67.05495	3.2
68.05005	0.7
70.06589	1.1
70.92050	0.6
70.92416	1.6
77.03925	1.3
78.04690	0.7
79.05486	41.3
80.05030	1.1
80.05833	1.1
80.93082	1.3
81.03401	1.4
81.04534	8.6
81.07040	1.0
82.05322	8.9
91.05473	21.9
92.05798	0.8
93.07036	31.9
94.06551	3.1
94.07368	1.0
95.04961	17.9
95.06065	3.2
96.05292	0.9
98.94063	0.6
103.05457	25.5
104.05046	0.5
104.05798	1.7
105.04536	3.9
105.07021	100.0
106.06606	1.2
106.07273	2.4
106.07924	5.9
107.04890	0.9
107.07323	13.4
108.95806	0.6
111.04437	3.0
119.08569	15.1
120.05634	0.7
120.08927	0.6
121.02872	6.6
121.03932	3.7
121.04796	0.6
121.05104	0.7
121.06501	11.3
121.10132	46.9
121.56919	0.6
122.06059	3.6
122.07139	39.9
122.09646	15.6
122.10472	3.3
123.08059	13.5
124.08396	0.7
125.78918	0.5
133.07622	5.2
138.06721	0.9
138.21172	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02374	1.0
53.03940	5.8
55.01865	0.5
55.05505	0.8
60.37016	0.3
65.03936	1.0
69.58871	0.4
71.39928	0.7
77.03921	1.0
79.05489	38.3
80.05827	1.0
81.03423	0.5
81.04546	0.5
81.07044	1.0
82.05340	0.5
91.05477	13.5
92.05807	0.6
93.07036	14.4
94.07367	0.8
95.04966	12.9
96.05278	0.4
97.11606	0.4
98.97564	0.4
103.05461	21.9
104.05776	0.9
105.04576	2.5
105.07024	100.0
106.07281	2.5
106.07806	5.2
107.07337	3.8
107.08052	0.7
119.08575	14.1
120.08890	0.7
121.06543	2.3
121.10136	45.3
122.06015	0.7
122.07126	2.8
122.09651	4.8
122.10475	2.0
123.08060	14.0
123.35070	0.3
124.08350	0.4
133.07617	5.5
134.07974	0.4
138.06743	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.76233	1.5
53.03946	13.2
55.01856	2.1
55.05513	11.8
56.96578	1.7
60.00774	1.6
65.03938	16.1
67.05508	46.5
70.00726	7.7
77.03922	2.0
78.04694	7.5
79.05495	100.0
80.05816	4.3
81.07058	2.2
91.05479	35.5
93.03397	2.2
93.07047	88.8
93.76578	1.5
94.06563	3.8
94.07367	2.7
95.04971	31.5
103.05479	11.9
104.50415	1.4
105.04507	5.8
105.07035	37.6
106.06561	1.6
106.07818	2.8
107.07340	31.2
111.04478	2.5
112.03965	3.2
118.29536	1.7
119.08589	5.2
119.67283	1.5
120.53536	1.4
121.02876	7.9
121.03958	4.3
121.06519	31.4
121.10140	34.5
122.06041	3.9
122.06857	2.7
122.09669	29.6
122.10503	3.0
123.08055	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	121.1013
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02365	2.7
53.03937	12.9
54.03448	1.2
55.01836	1.2
55.05256	1.6
55.05507	23.4
59.98772	1.1
65.03931	5.7
67.05501	19.2
71.59940	1.4
78.04659	1.2
79.05488	100.0
80.05813	1.6
80.06242	2.0
81.03401	2.1
81.04532	2.8
81.07032	2.2
82.05336	1.7
82.06538	1.4
91.05473	38.0
92.05797	2.7
93.07037	99.4
94.06551	3.5
94.07368	4.9
95.04966	28.3
95.05994	1.5
96.05288	1.8
103.05462	18.9
104.05772	1.5
105.04501	4.4
105.07022	54.5
106.06515	3.1
106.07855	2.3
107.07332	42.0
111.04413	2.1
112.03952	1.6
114.62067	1.2
119.08575	4.7
120.08064	1.0
121.02837	4.9
121.03976	2.2
121.06510	12.4
121.07305	1.8
121.10135	36.9
122.06026	5.7
122.07141	14.2
122.09659	47.1
122.10422	2.1
123.08028	6.1
133.07635	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	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01589	1.2
51.02379	4.2
52.01888	0.6
53.03946	28.4
54.03467	3.9
55.01873	6.3
55.05506	1.8
56.96566	17.7
57.03432	3.7
58.06622	0.9
58.99586	1.6
60.04507	0.5
62.92990	1.0
64.60684	0.5
65.03939	16.5
67.02987	1.4
67.05500	5.4
68.05032	3.7
69.03425	2.1
69.86262	0.5
70.06594	1.0
71.20673	1.4
71.95241	0.8
73.02908	2.2
74.55936	0.6
76.02230	2.6
77.00787	1.7
77.03918	4.8
78.04700	3.6
79.05495	12.3
80.05013	2.3
80.05793	0.7
81.03411	3.8
81.04536	8.7
81.05795	0.8
82.05325	10.8
83.00759	1.5
84.96028	1.4
85.07681	1.1
90.01566	0.9
91.05481	86.6
92.01305	1.9
92.05822	3.3
93.03374	1.5
93.04523	1.7
93.07043	62.4
94.04132	1.4
94.06568	3.9
94.07362	3.4
95.04967	75.5
95.06020	9.4
96.05296	2.1
97.02927	0.8
98.01271	1.0
98.97582	4.7
102.04689	2.3
102.45817	0.6
103.05467	100.0
104.01317	0.8
104.05795	13.6
105.04514	14.7
105.07035	5.5
106.04197	0.8
106.06570	0.7
107.07340	4.5
110.97572	0.9
111.04439	4.6
112.03940	1.1
116.98627	8.1
119.01825	1.8
120.05658	0.8
121.02880	10.4
121.04066	4.4
121.05078	2.7
121.06507	68.3
121.07536	2.4
121.08344	8.5
121.10147	3.0
121.96626	0.7
122.06042	3.6
122.07140	22.6
122.09647	5.6
128.02266	0.9
128.98581	1.7
134.99670	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	121.0649
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01591	1.2
51.02377	2.3
53.03944	17.1
54.03468	14.2
55.01875	8.1
55.05494	3.1
56.96297	1.1
56.96561	18.5
57.03418	3.7
58.02960	1.6
65.03935	20.9
67.02982	2.5
67.05497	5.0
68.05016	2.7
68.34247	0.8
69.03429	1.7
70.00597	3.4
70.06596	4.5
73.02908	2.7
77.03928	3.0
78.04712	4.3
79.05489	31.2
80.05012	3.9
80.93078	1.2
81.03404	3.9
81.04536	26.8
81.05790	2.9
81.07010	1.5
82.05315	22.3
83.00761	2.0
84.01567	0.9
84.96018	2.0
85.02922	1.6
86.01278	1.2
90.01558	1.1
91.05476	64.1
92.01269	2.3
92.05785	2.3
93.04505	1.0
93.07037	52.4
93.76662	0.8
94.06562	5.1
94.07368	1.9
95.04964	48.9
95.06069	13.0
96.04466	1.1
96.05309	1.1
98.21328	1.3
98.97598	5.3
103.05460	61.5
104.05121	1.1
104.05790	5.7
105.04496	13.4
105.07022	43.4
106.04134	1.6
106.06545	3.1
106.07813	1.9
107.04857	1.7
107.07330	33.9
111.04441	5.7
112.03955	1.7
116.98607	6.8
119.01799	1.6
119.08571	4.2
120.05622	1.4
120.08086	1.2
121.02884	12.8
121.04019	6.6
121.06502	66.3
121.07571	5.1
121.08437	3.3
121.10131	11.3
122.06100	4.8
122.07145	100.0
122.09650	30.7
123.08052	3.1
128.02338	1.4
128.98628	1.2
133.07657	1.4
134.99661	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	121.065
Annotation	3-Methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02380	1.4
51.77466	0.6
53.03949	8.8
55.01864	1.4
56.96561	0.7
65.03940	4.0
67.05525	0.5
69.60757	3.9
77.03925	2.0
78.04267	1.1
78.04713	19.1
79.05464	1.1
81.03423	1.2
81.04539	1.0
82.05309	0.7
91.05485	30.9
92.15032	0.5
93.07067	3.0
94.28209	0.5
95.04971	17.1
98.26492	0.6
103.05466	1.7
105.04507	3.9
105.07030	1.2
105.43420	0.5
106.04180	5.3
107.07342	2.3
116.26060	0.5
121.06506	100.0
122.06946	3.4
122.09653	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	121.065
Annotation	p-Tolualdehyde
Peak:m/z	Relative Intensity
50.01589	0.5
51.02373	1.3
53.03698	0.4
53.03944	7.7
54.03468	2.8
55.01867	2.0
55.05492	0.6
55.79624	0.2
56.96553	1.0
58.02947	0.3
64.60495	0.2
65.03939	10.3
67.02962	0.6
67.05500	1.4
67.49356	0.2
68.05021	1.0
70.06570	0.9
70.93565	0.7
71.01316	0.3
71.97712	0.3
73.80423	0.2
77.03921	1.8
78.04707	15.4
79.01852	0.4
79.05109	0.3
79.05486	7.1
80.05014	0.7
80.93098	0.6
81.03402	1.1
81.04538	6.2
81.05788	0.6
82.05315	6.3
82.67914	0.3
89.93054	0.3
91.05477	33.5
92.05814	0.7
93.03396	0.5
93.04540	0.3
93.07041	12.5
94.06557	1.6
95.04965	22.3
95.06034	3.1
96.05315	0.5
98.97619	0.3
102.04723	0.3
103.05464	8.8
104.05801	0.9
105.03411	0.4
105.04509	5.4
105.07025	12.6
106.04159	5.0
106.05277	0.4
106.06553	0.7
106.07819	0.7
107.04932	1.3
107.07333	8.5
111.04440	4.2
119.08599	1.1
120.05742	0.3
120.08080	0.3
121.02865	10.0
121.03996	3.5
121.06497	100.0
121.10120	4.6
122.03173	0.3
122.07153	25.6
122.09654	9.4
123.08047	1.7
133.07603	0.4
134.99693	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01603	0.8
51.02372	4.8
53.03706	1.5
53.03948	28.3
54.03471	10.0
55.01875	12.0
55.05515	1.7
56.96564	12.5
57.03433	2.1
58.99580	1.0
59.97905	0.8
62.19186	0.8
65.03938	21.0
66.04733	1.0
67.02985	2.1
67.05489	3.4
68.05023	2.3
69.03422	1.7
70.06583	1.8
70.26783	1.7
73.02924	1.7
76.02220	2.0
77.03927	5.4
78.04720	3.6
78.66541	0.9
79.05489	22.4
80.05009	3.1
81.03426	4.6
81.04535	18.7
81.05797	2.7
81.07111	0.8
82.05319	18.7
83.00780	2.1
84.96043	1.3
88.87237	0.8
90.01563	1.4
91.05478	93.8
92.01302	2.6
92.05815	3.0
93.07040	62.6
94.04200	1.8
94.06570	5.7
94.07368	3.2
95.04967	82.2
95.05983	10.2
96.04475	0.9
96.05314	2.2
98.97574	3.6
102.04672	2.3
103.05464	100.0
104.05792	9.1
105.04514	17.0
105.07026	40.5
106.04167	2.1
106.06561	7.6
107.04866	2.3
107.07333	60.4
111.04440	5.6
112.03950	1.6
116.03010	0.8
116.98611	5.2
119.08555	1.4
120.05523	1.9
120.08107	2.7
121.02876	15.2
121.03998	7.2
121.06506	87.7
121.08434	4.4
121.10117	5.0
122.06058	7.0
122.07150	69.5
122.09658	58.0
123.08070	2.5
128.98650	0.9
133.07581	1.5
134.99687	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	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01594	1.1
51.02377	3.0
53.03942	23.7
55.01865	3.1
56.96553	0.4
57.37551	0.4
65.03944	1.9
68.99778	0.4
71.03800	0.7
77.03921	6.9
78.04698	0.6
79.05483	1.0
80.93180	0.4
81.03432	2.6
91.05474	74.4
92.05800	1.6
93.07036	53.1
94.04167	0.8
94.07358	1.3
95.04961	60.5
96.05296	1.0
98.81528	0.4
102.04692	2.1
103.05460	100.0
104.05795	3.0
105.04505	11.6
119.04939	0.5
121.06493	78.6
122.06841	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	121.065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.5
51.02381	2.2
53.03942	20.2
54.04274	0.7
55.01868	2.8
58.47626	0.3
65.03929	1.3
68.52264	0.3
69.45828	2.4
69.46231	0.7
77.03922	5.0
78.04702	1.0
78.49213	0.3
79.05480	1.0
81.03412	2.8
91.05473	75.8
92.05801	1.3
93.07035	62.2
94.04189	0.6
94.07379	1.8
95.04959	55.3
96.05299	1.5
97.73141	0.4
98.20770	0.6
98.97526	0.4
102.04666	2.0
103.05459	100.0
104.05789	3.1
105.03819	0.6
105.04509	10.1
108.55051	0.4
109.06557	0.5
119.01842	0.3
119.04916	0.6
121.06494	93.5
121.25333	0.3
122.06792	2.4
131.10429	0.3
135.23460	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0649
Annotation	3-Methylbenzaldehyde
Peak:m/z	Relative Intensity
50.01587	0.5
51.02371	1.3
53.00299	0.3
53.03699	0.4
53.03945	6.8
54.03468	3.2
55.01874	2.4
55.05505	1.0
56.96554	0.8
58.02959	0.5
59.76796	0.2
64.30220	0.2
65.03939	18.7
66.04276	0.4
67.02994	0.4
67.05502	3.2
68.05028	0.7
68.99785	0.5
70.06595	1.2
71.01344	0.4
71.59965	0.4
77.03924	2.3
78.04709	18.0
79.01842	0.7
79.05101	0.5
79.05488	11.1
80.05012	0.6
80.05852	0.3
80.93086	0.5
81.03416	1.1
81.04537	5.8
81.05788	0.4
81.07059	0.4
82.04842	0.3
82.05325	5.8
91.05477	31.2
92.05813	1.0
93.03398	0.6
93.04488	0.5
93.07040	14.4
94.04174	0.3
94.06561	1.7
94.07323	0.3
95.04965	20.6
95.06017	2.4
96.05286	0.5
97.02856	0.3
103.05463	6.9
104.05790	0.7
105.03391	0.6
105.04518	5.5
105.07027	9.8
106.04169	5.0
106.06534	0.6
106.07824	0.5
107.04926	0.6
107.07326	6.1
110.97430	0.3
111.04436	10.5
112.03951	0.3
119.08592	0.8
121.02863	22.2
121.03987	7.0
121.06497	100.0
121.10120	4.8
122.03204	0.7
122.06047	1.3
122.07146	25.8
122.09647	6.5
123.08065	1.1
133.07599	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02365	4.4
53.03705	2.0
53.03944	37.1
53.39546	1.1
55.01855	3.2
65.03926	4.8
67.05498	2.2
71.04207	2.6
71.04541	2.2
71.70236	1.1
76.01180	1.1
77.03922	7.5
79.05492	9.5
81.03397	3.7
84.80350	1.3
91.05474	71.8
92.05800	2.0
93.07037	59.7
94.06548	1.2
95.04962	100.0
96.05309	1.6
102.34241	1.4
103.05463	71.4
104.05772	2.3
105.04514	18.7
105.07023	14.0
107.07339	14.7
111.04464	2.1
118.06526	1.9
121.02863	3.9
121.06498	84.6
121.10141	5.0
122.07015	2.9
122.09663	17.8
123.08080	2.3
124.55217	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.4
66.03657	0.5
70.62333	0.8
70.62716	0.7
70.71759	0.5
72.34936	0.5
77.03909	0.9
79.05506	1.0
81.03380	0.5
87.24593	0.5
87.64074	0.5
91.05481	10.9
93.07041	16.9
93.07635	1.1
95.04967	8.2
102.04680	0.9
103.05463	100.0
104.05801	2.8
104.34711	0.5
105.04527	1.5
105.05655	0.6
118.06549	2.0
118.15434	0.5
119.07390	1.2
120.08100	82.4
121.08421	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	121.0281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.5
53.03944	10.3
54.03467	11.6
55.01874	4.5
55.05497	1.7
56.96567	3.9
58.02959	1.7
59.36703	0.7
61.73990	0.7
65.03938	79.7
65.91628	0.7
66.04265	1.9
67.05502	6.6
68.05030	2.0
68.99781	3.4
69.03404	0.9
69.72193	0.7
70.06597	3.7
71.01344	2.1
76.32709	0.8
76.35284	0.7
77.03913	0.9
78.04698	2.8
79.01843	1.4
79.05489	18.7
80.05005	2.0
80.93138	0.9
81.03432	1.6
81.04538	22.2
81.05783	1.3
82.05321	21.2
89.00747	0.8
91.05474	31.2
93.04503	1.2
93.07043	28.6
93.69066	0.7
94.06568	5.9
95.04965	25.1
95.06059	7.9
98.97553	0.8
103.05458	19.5
104.04977	1.0
104.05801	1.3
105.04508	6.0
105.07028	29.6
105.31118	0.8
106.04168	1.0
106.05276	1.0
106.06554	1.9
106.07826	1.6
107.07331	19.5
109.02897	1.6
111.04437	47.8
112.04796	2.3
116.98655	1.6
119.08561	2.2
120.05597	1.5
121.02864	93.7
121.03970	31.5
121.06496	34.4
121.07584	2.7
121.10129	11.5
122.03201	3.0
122.06084	6.8
122.07143	100.0
122.09649	22.8
123.08090	3.4
133.07632	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.5
51.51814	0.3
53.03943	4.7
55.05510	0.4
56.05038	3.8
57.07056	0.5
58.06602	0.6
58.46988	0.3
59.05000	1.3
60.04519	1.1
62.06082	2.2
65.03945	2.0
70.31914	1.8
72.08139	1.3
72.93803	0.3
74.06078	5.7
77.03925	0.7
78.95251	0.5
79.05503	1.2
80.05025	0.9
80.57367	0.3
81.03400	0.4
84.08119	1.5
85.06525	1.1
91.05478	12.8
92.05006	1.9
92.05819	1.7
93.04535	0.5
93.07043	17.1
94.06568	0.8
94.07378	0.5
94.51997	0.4
95.04967	8.4
102.04694	0.9
102.05533	0.6
102.09194	2.2
103.05466	100.0
104.05796	3.5
105.04495	1.9
111.04397	0.5
118.06526	2.3
119.07383	1.9
120.04549	1.8
120.05728	2.2
120.08104	92.1
120.10229	2.3
121.03984	0.4
121.06521	1.4
121.08402	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	120.0446
Annotation	4-Hydroxybenzonitrile
Peak:m/z	Relative Intensity
56.20731	0.2
65.03935	42.9
66.04277	0.8
69.37421	2.0
72.11082	0.2
78.93119	0.5
79.05500	0.6
79.57278	0.2
83.04967	0.3
91.05483	1.3
92.04996	100.0
93.04724	0.3
93.05325	3.2
93.07013	1.1
95.04961	0.6
103.05469	1.7
104.05784	0.3
105.07030	1.1
106.74093	0.2
110.06035	2.9
111.04433	0.4
120.04455	50.5
120.08099	1.6
120.08914	0.9
121.02872	0.5
121.04002	0.4
121.04794	2.0
121.06476	0.7
121.10136	0.7
130.78374	0.2
131.97487	0.2
136.83440	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.5
53.03943	6.3
55.01873	1.2
55.16467	0.5
56.05044	0.6
56.96566	0.6
60.04518	0.6
65.03938	15.0
66.03469	0.5
66.06654	0.5
67.05458	0.6
69.38735	5.0
74.06083	1.1
75.24896	0.5
77.03928	0.9
78.04723	1.0
78.93127	2.2
79.02959	0.7
79.05482	3.4
80.05035	0.6
81.04523	0.7
87.00525	0.5
91.05482	22.2
92.05003	18.8
92.05807	3.7
93.04546	2.2
93.05318	0.6
93.07041	21.1
94.06585	1.1
95.04964	16.1
102.04711	0.8
103.05464	100.0
104.05801	1.9
105.04507	3.2
105.07037	1.3
106.06593	0.6
110.06039	1.3
111.04455	1.8
118.06530	2.1
119.07333	1.5
120.04469	9.4
120.05590	10.3
120.08102	84.3
121.02871	3.3
121.03973	1.8
121.05663	0.8
121.06506	9.8
121.07449	0.8
121.08391	2.6
121.10183	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0446
Annotation	4-Hydroxybenzonitrile
Peak:m/z	Relative Intensity
50.01601	0.2
51.79341	0.2
53.03938	0.5
55.05504	0.4
65.03939	43.2
66.04280	1.0
67.05495	0.4
78.93123	1.1
79.05483	2.1
83.04979	0.3
91.05486	2.0
92.05002	100.0
93.04721	0.4
93.05327	3.1
93.07031	2.5
95.04958	0.8
96.94173	0.6
103.05470	1.7
105.07027	1.5
110.06045	3.9
118.30614	0.2
120.04463	48.3
120.05482	1.5
120.08086	1.1
120.08926	0.5
121.02866	0.7
121.03997	0.5
121.04790	1.5
121.06518	1.7
121.10138	1.1
133.07565	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1199.7087
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04969	0.1
84.46701	0.1
87.04461	12.7
89.06023	37.8
90.06329	0.1
91.05470	4.7
91.07578	0.2
93.07056	0.4
95.04964	4.3
97.06475	0.1
102.04695	0.1
103.05463	7.4
105.07021	100.0
106.07357	1.0
107.04954	0.2
107.07050	1.3
113.06001	1.1
115.05449	0.7
115.07568	0.5
116.06213	0.5
117.07001	0.7
117.09124	2.9
119.04940	0.2
119.08577	0.7
121.06502	2.4
126.50231	0.1
128.06219	0.4
129.06995	1.4
130.07680	0.1
130.08618	1.5
131.07068	3.0
131.08556	8.5
132.05614	0.1
133.08591	26.5
133.10188	0.9
134.08914	0.1
135.08061	0.2
135.10133	0.2
139.07565	0.2
141.06961	0.2
143.08566	0.1
144.08029	0.1
145.06487	0.5
145.10101	0.2
147.08040	2.4
149.09604	0.8
151.09645	0.2
153.07011	0.1
155.06100	0.1
155.08507	0.2
157.08611	0.3
157.10130	0.3
158.07198	0.1
159.10158	0.4
161.11693	0.8
163.11176	0.1
165.07025	0.6
165.09082	0.4
166.07724	0.5
167.08612	0.2
169.10185	0.2
173.09615	0.7
175.09665	1.9
175.11150	0.2
177.11206	7.3
178.07817	0.3
179.08569	0.4
179.12779	0.2
180.09335	0.1
181.10104	0.8
183.10199	0.1
183.11682	0.1
191.08582	0.2
191.10646	0.4
192.09319	0.2
193.10489	0.3
193.12276	0.2
195.08080	0.1
195.12021	0.1
201.11235	0.1
203.08546	0.2
205.10150	0.1
207.08064	0.2
207.11734	0.2
208.08810	0.2
209.09581	0.2
209.11632	0.2
209.13255	0.3
211.11176	0.1
211.13254	0.1
215.08548	0.1
217.10063	0.1
218.10959	0.1
219.12222	0.5
221.09558	0.2
221.13812	0.7
222.10361	0.2
223.11157	1.1
223.15312	0.3
225.12715	5.5
226.13077	0.2
227.12740	0.5
230.62781	0.1
233.13281	0.1
235.14890	0.6
235.24600	0.1
237.12856	0.3
239.14713	0.3
247.11171	0.1
249.12729	0.9
251.14294	18.0
252.14671	0.2
253.15910	4.5
254.16299	0.1
255.16003	0.1
265.61166	0.1
267.13873	0.6
267.17642	0.3
269.15292	0.9
271.15378	0.5
277.15787	0.2
283.17502	0.3
295.16891	0.7
301.15891	0.2
311.16370	0.6
313.18045	0.7
315.17914	0.5
325.15848	0.2
327.17392	2.7
329.18961	15.6
330.19281	0.3
331.18741	0.1
339.19458	0.2
353.18912	0.9
355.20486	0.7
357.20538	0.1
359.20578	0.1
371.19916	1.0
373.21591	2.9
374.21909	0.1
375.21402	0.2
415.22568	0.2
417.23416	0.1
419.24100	0.2
431.23563	0.2
433.25061	0.1
461.26721	0.1
463.26727	0.1
477.27878	3.7
478.28329	0.2
493.59470	0.1
687.28894	0.1
718.92206	0.1
843.04413	0.1
1028.45923	0.1
1172.76685	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	1193.6369
Annotation	Unknow
Peak:m/z	Relative Intensity
82.74853	0.1
127.01568	0.1
171.04247	0.3
174.42905	0.1
199.07396	0.1
215.06931	0.2
229.08574	0.1
249.91263	0.1
259.09528	0.2
287.12747	0.2
303.11990	0.2
347.14728	0.2
391.17664	0.2
479.22552	0.2
523.25281	0.2
539.25159	0.2
567.28143	0.3
627.30469	0.2
655.32965	0.2
1074.64917	0.1
1128.57080	0.1
1178.60583	0.1
1193.63684	100.0
1194.64026	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	1199.7086
Annotation	Unknow
Peak:m/z	Relative Intensity
87.04457	12.2
89.06019	36.1
90.06319	0.1
91.05467	4.6
91.07598	0.2
93.07047	0.5
93.14890	0.1
95.04958	4.0
96.32993	0.1
97.06511	0.1
102.04679	0.1
103.05456	7.5
105.07015	100.0
106.07344	1.2
107.04967	0.2
107.07057	1.3
113.06006	1.1
115.05403	0.7
115.07606	0.4
116.06219	0.6
117.06973	0.8
117.09116	2.6
118.06524	0.1
119.04945	0.2
119.08552	0.9
121.06487	2.4
128.06187	0.5
129.06992	1.7
130.08598	1.2
131.07051	3.1
131.08546	7.0
133.08585	24.0
133.10175	1.0
134.08871	0.1
135.08066	0.2
135.10123	0.2
141.06992	0.2
143.08565	0.1
144.07967	0.1
145.06482	0.5
145.10124	0.2
147.06905	0.2
147.08028	2.3
149.09575	0.8
151.09610	0.1
153.06946	0.2
155.08490	0.3
157.08554	0.3
157.10106	0.4
159.10152	0.5
161.09535	0.1
161.11671	0.6
163.07404	0.1
163.11194	0.1
165.07011	0.5
165.09096	0.4
166.07739	0.4
167.08549	0.2
169.10149	0.2
173.09593	0.7
174.84474	0.1
175.09668	1.7
175.11130	0.2
177.11197	6.7
178.07770	0.2
179.08572	0.4
180.09276	0.1
181.10121	0.9
183.10072	0.2
183.11649	0.1
190.07742	0.1
191.08563	0.1
191.10654	0.3
192.09349	0.3
193.10358	0.3
193.12259	0.2
194.10992	0.1
195.07956	0.2
195.11755	0.2
197.09477	0.1
203.08536	0.3
205.09969	0.1
207.08025	0.2
207.11671	0.2
208.08800	0.2
209.09787	0.1
209.11555	0.2
209.13292	0.3
219.12262	0.4
221.09621	0.2
221.13800	0.7
222.10332	0.3
223.11142	1.1
223.15289	0.3
225.12712	5.3
226.12854	0.1
227.12662	0.4
230.99864	0.1
235.14888	0.5
237.12747	0.2
239.14650	0.5
249.12730	0.9
251.14281	17.2
252.14610	0.4
253.15875	4.3
255.15977	0.1
265.16418	0.1
267.13870	0.6
267.17627	0.2
269.15326	0.9
271.15347	0.3
275.14081	0.1
277.15775	0.2
283.17511	0.2
293.15323	0.1
295.16956	0.5
301.15692	0.1
309.18967	0.1
311.16406	0.7
313.18033	0.6
315.17792	0.3
325.15924	0.2
327.17343	2.8
329.18948	13.3
330.19247	0.4
339.19611	0.1
340.17902	0.1
353.18900	0.9
355.20187	0.4
357.20337	0.1
359.20261	0.1
371.19958	1.0
373.21570	2.4
375.21500	0.1
415.22650	0.1
419.24042	0.2
431.23483	0.1
433.24854	0.1
453.89978	0.1
463.26569	0.1
477.27817	2.6
478.28363	0.1
700.42926	0.1
1151.45837	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
59.06116	4.0
65.03944	35.2
69.63094	3.9
69.63507	2.0
78.93140	0.8
79.05477	1.5
91.05486	100.0
92.05006	27.3
92.05814	2.2
93.04496	1.0
103.05460	5.0
104.06217	0.8
110.06054	1.2
117.07030	1.1
119.04949	19.7
119.05979	1.4
119.08590	3.6
120.04466	13.8
120.05530	2.5
120.08078	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	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03937	2.2
65.03928	4.1
70.72784	2.1
70.73119	1.0
78.04723	1.0
79.05492	7.6
85.41641	0.9
86.35603	0.9
91.05476	100.0
92.05013	1.2
92.05820	2.5
93.07043	5.2
95.04975	5.2
102.04689	1.5
103.05470	10.6
104.06245	12.9
105.04560	1.1
108.75681	0.9
109.06509	1.8
115.05472	6.3
117.07008	30.4
119.06103	2.9
119.08573	78.5
120.04475	0.9
120.05605	3.0
120.08110	1.1
120.08906	2.6
121.06499	1.4
123.27364	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
51.02350	0.5
55.05520	0.6
56.05026	1.3
56.96572	2.5
58.02965	0.6
59.06124	13.9
60.04522	7.2
61.02921	1.1
62.06091	1.5
65.03942	15.7
70.82959	1.4
72.06886	0.6
74.06074	1.4
76.93375	0.5
77.93363	0.4
78.93128	1.2
79.05486	2.1
83.50363	0.4
84.04499	0.7
87.05608	2.5
87.75510	0.4
91.05481	100.0
92.05008	4.5
92.05808	4.8
93.04520	1.0
93.07046	2.4
95.04977	1.6
96.05294	0.5
96.94151	0.8
100.70194	0.4
101.07148	0.5
102.05509	0.5
103.05466	10.8
104.06200	1.2
109.06528	0.9
110.06078	0.6
117.07025	1.6
119.04950	11.4
119.06065	4.1
119.06891	2.9
119.08628	6.4
120.04496	3.6
120.05602	5.5
120.08101	9.6
120.08928	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
51.02377	0.3
53.03949	0.4
56.05040	0.6
56.96556	2.4
57.03450	0.4
59.06124	0.7
63.02380	0.7
65.03938	17.2
66.04288	0.4
67.02991	0.9
71.57719	0.5
72.08157	0.5
74.06076	0.9
77.00874	0.3
78.36921	0.3
78.95303	0.5
90.01537	0.3
91.05479	100.0
92.02499	2.0
92.05805	3.7
93.07067	0.6
98.01330	0.4
98.97586	1.1
102.09173	0.7
103.05453	4.0
111.04474	0.3
116.98599	0.5
119.01941	1.9
119.02734	0.6
119.03578	8.5
119.04933	14.3
119.06816	0.6
120.05312	0.4
120.08097	4.0
120.10188	0.4
128.98665	0.3
137.02945	1.0
137.04587	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.3
53.03949	0.4
56.05040	0.6
56.96556	2.4
57.03450	0.4
59.06124	0.7
63.02380	0.7
65.03938	17.2
66.04288	0.4
67.02991	0.9
71.57719	0.5
72.08157	0.5
74.06076	0.9
77.00874	0.3
78.36921	0.3
78.95303	0.5
90.01537	0.3
91.05479	100.0
92.02499	2.0
92.05805	3.7
93.07067	0.6
98.01330	0.4
98.97586	1.1
102.09173	0.7
103.05453	4.0
111.04474	0.3
116.98599	0.5
119.01941	1.9
119.02734	0.6
119.03578	8.5
119.04933	14.3
119.06816	0.6
120.05312	0.4
120.08097	4.0
120.10188	0.4
128.98665	0.3
137.02945	1.0
137.04587	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82972	0.4
51.45611	0.4
52.53009	0.5
53.03933	1.2
55.01841	0.4
56.96556	0.6
59.05856	0.7
59.06123	9.1
60.04507	1.0
65.03600	0.8
65.03936	16.8
70.58360	1.7
74.06071	1.6
75.02367	0.5
76.93363	1.0
77.93387	1.1
78.93117	2.1
79.05468	2.0
87.05580	1.4
91.05474	100.0
92.04997	3.3
92.05799	3.0
92.45780	0.4
93.04524	0.8
93.07034	1.5
95.04955	3.1
96.05276	1.2
96.94166	0.6
103.05457	5.7
104.06260	2.3
109.06528	0.7
113.96371	0.5
115.05441	1.2
117.07008	4.4
119.04939	21.6
119.06040	2.6
119.06855	1.8
119.08584	17.6
120.04552	2.2
120.05626	3.6
120.08105	5.3
120.08898	0.8
128.79582	0.5
131.97499	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90069	2.7
54.05778	3.0
54.23555	2.5
55.05500	5.3
55.31743	3.0
59.06101	6.1
63.31332	2.9
65.03941	3.7
67.05516	20.6
69.03422	8.3
69.07046	3.0
70.83315	7.5
79.05500	4.3
80.02952	6.6
80.06278	7.0
85.01386	3.5
89.03467	4.0
89.51597	3.8
91.04958	5.5
91.05480	49.3
93.03721	3.2
93.07046	6.8
94.74472	2.9
95.04994	4.6
100.02486	10.8
101.00884	8.0
103.02445	19.6
107.05272	14.4
111.04403	6.3
116.05789	11.9
116.55856	3.5
117.05699	4.7
118.03531	7.7
119.01925	100.0
119.08552	5.5
120.01990	4.0
121.03493	20.7
122.03593	2.9
129.03993	6.1
137.02953	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79839	0.9
56.05020	3.7
56.96548	6.5
58.06585	4.2
59.06120	36.0
59.93087	1.3
60.04523	23.8
60.95844	2.0
61.02907	3.1
62.06077	3.0
65.01423	1.6
65.03938	8.1
65.20779	0.9
67.02990	6.4
67.05492	3.2
69.03420	1.5
69.81295	5.3
72.04511	2.0
72.08175	2.1
73.02900	2.2
73.08480	4.2
74.00658	1.2
74.06063	6.9
75.05585	2.0
76.93362	2.1
77.93373	2.9
78.93094	5.1
78.95274	2.2
79.05482	2.2
81.11848	0.9
83.06082	1.2
84.04498	3.3
84.08103	1.0
87.05576	5.9
90.57047	1.1
91.05474	70.4
92.02483	17.8
92.04988	5.1
92.05807	2.1
93.04516	2.1
93.07036	4.3
95.04959	3.6
96.94159	1.7
98.20824	1.2
100.02444	1.2
101.07138	4.1
102.05527	2.4
102.09146	1.7
103.05463	19.4
110.06017	1.1
117.06995	2.8
119.03543	100.0
119.04944	4.1
119.06071	7.1
119.06854	2.3
119.08541	6.2
120.03190	2.0
120.04476	4.1
120.05587	8.7
120.08091	23.0
123.57561	1.0
137.04611	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	1189.5679
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04953	0.5
83.08615	1.3
85.06511	0.3
91.05473	6.1
93.07036	12.0
95.04959	1.9
95.08599	13.9
97.06512	0.7
97.10154	0.5
98.98455	4.2
99.08077	0.3
104.27671	0.1
105.04500	0.5
105.07022	3.9
107.08585	5.8
109.02885	0.5
109.06493	0.7
109.10151	5.1
109.10722	0.1
111.08075	0.5
115.05459	0.2
117.07010	1.2
119.08577	2.5
121.10139	4.3
123.08044	0.5
123.11698	1.5
127.03902	0.2
131.08566	2.0
133.10121	2.0
135.07979	0.2
135.11694	2.6
137.09583	0.3
137.13248	0.4
145.10107	1.4
147.11661	1.4
149.09587	0.2
149.13243	1.2
155.01035	1.4
159.11702	0.8
161.13240	1.1
163.14810	0.5
171.98883	0.1
173.02040	0.4
173.13272	0.7
175.14798	0.3
177.12697	0.2
177.16331	0.2
179.14333	0.2
187.14810	0.3
201.16321	0.2
243.21033	0.7
261.03583	0.4
261.22122	1.8
268.54605	0.1
310.84094	0.1
317.06293	0.6
317.24722	0.4
335.25769	100.0
336.26108	2.1
349.06613	0.2
415.22815	0.2
423.27426	0.2
435.21912	0.2
559.26508	0.4
577.27325	0.2
720.06683	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1189.5679
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04953	0.5
83.08615	1.3
85.06511	0.3
91.05473	6.1
93.07036	12.0
95.04959	1.9
95.08599	13.9
97.06512	0.7
97.10154	0.5
98.98455	4.2
99.08077	0.3
104.27671	0.1
105.04500	0.5
105.07022	3.9
107.08585	5.8
109.02885	0.5
109.06493	0.7
109.10151	5.1
109.10722	0.1
111.08075	0.5
115.05459	0.2
117.07010	1.2
119.08577	2.5
121.10139	4.3
123.08044	0.5
123.11698	1.5
127.03902	0.2
131.08566	2.0
133.10121	2.0
135.07979	0.2
135.11694	2.6
137.09583	0.3
137.13248	0.4
145.10107	1.4
147.11661	1.4
149.09587	0.2
149.13243	1.2
155.01035	1.4
159.11702	0.8
161.13240	1.1
163.14810	0.5
171.98883	0.1
173.02040	0.4
173.13272	0.7
175.14798	0.3
177.12697	0.2
177.16331	0.2
179.14333	0.2
187.14810	0.3
201.16321	0.2
243.21033	0.7
261.03583	0.4
261.22122	1.8
268.54605	0.1
310.84094	0.1
317.06293	0.6
317.24722	0.4
335.25769	100.0
336.26108	2.1
349.06613	0.2
415.22815	0.2
423.27426	0.2
435.21912	0.2
559.26508	0.4
577.27325	0.2
720.06683	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	1.9
51.02364	6.5
53.03707	2.3
53.03946	41.5
55.01856	3.6
58.06587	5.1
59.07365	5.3
70.43759	3.0
70.44157	2.8
72.04485	2.6
72.08146	7.2
74.02409	2.2
75.83124	1.6
76.93348	4.8
77.03915	7.5
79.90030	1.5
81.03397	3.0
83.01349	5.4
91.04964	2.9
91.05476	34.6
94.94406	2.5
95.04964	100.0
96.05298	2.0
105.04515	18.7
117.07016	3.9
118.03242	2.1
118.06535	66.2
118.08633	14.8
119.06073	3.9
119.06877	3.2
119.08591	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	118.0865
Annotation	L-Valine
Peak:m/z	Relative Intensity
53.03947	1.0
55.05509	22.6
56.05026	0.5
56.05839	0.5
56.96550	0.8
57.05809	1.9
57.39582	0.3
58.06595	0.8
59.04984	0.6
59.06118	0.6
59.07369	0.4
62.71471	0.3
64.35746	0.3
70.06596	0.7
70.38892	0.6
70.39284	0.8
72.08151	100.0
73.07863	0.4
73.08492	1.9
76.93368	0.7
84.60339	0.3
87.36800	0.3
91.05471	3.5
95.04926	0.4
98.20817	0.3
100.02480	0.5
118.06564	0.7
118.08677	1.2
118.10575	0.3
119.01941	0.7
119.04987	0.4
119.08588	0.6
122.12386	0.3
137.02939	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
50.01586	2.1
51.02375	6.9
53.03947	44.0
55.01868	1.8
56.96556	2.0
59.93102	4.7
64.29808	1.4
65.03941	2.8
66.47762	1.2
70.72620	3.2
72.08141	4.7
76.92956	1.9
76.93370	25.7
77.03912	9.1
79.05485	1.8
81.03403	3.6
89.33332	1.1
91.05481	67.6
92.05838	2.9
94.94408	11.1
95.04967	100.0
96.05304	2.0
103.05518	1.3
104.06250	2.2
105.04520	16.6
109.06579	1.7
111.93452	1.1
112.95433	2.5
115.05523	1.7
116.05771	4.1
117.05752	2.6
117.07025	4.6
117.95993	3.9
118.06544	68.5
118.07256	2.7
118.96751	1.9
119.04928	3.6
119.06078	2.8
119.06889	2.0
119.08588	13.2
131.52391	1.1
135.97044	2.2
138.50385	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.3
55.01859	0.7
55.05512	1.3
56.05022	1.2
56.96560	1.2
58.02963	1.3
58.06599	1.5
58.06841	0.2
59.06121	4.4
59.93105	2.8
60.04520	2.3
60.06454	0.9
61.02916	0.5
65.03932	1.8
71.16593	0.7
72.04505	2.9
72.08149	6.6
74.06094	0.6
75.05606	0.8
76.93363	20.0
77.93388	0.6
81.03405	0.4
83.01324	1.0
87.04471	0.5
87.05585	0.7
88.06554	0.4
91.05472	48.8
92.05807	1.1
94.94401	8.1
95.04958	5.6
100.03960	0.9
101.07131	0.4
105.04511	1.0
109.06477	0.5
112.95428	2.2
117.05759	5.5
117.07000	0.4
117.95973	2.2
118.06534	100.0
118.96770	1.0
119.04980	1.5
119.06058	1.2
119.06878	3.5
119.08602	0.5
132.09500	0.3
135.96979	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	2.6
51.02383	7.5
53.03708	3.3
53.03944	46.2
55.01859	2.3
57.92710	1.6
59.93100	4.9
69.03487	1.5
70.78233	4.4
72.08153	8.5
76.93365	57.1
77.03927	6.0
77.93388	1.8
79.05515	1.8
81.03406	5.3
83.01330	3.3
91.05482	28.4
92.52859	1.7
94.94394	18.9
95.04966	100.0
96.05320	3.0
105.04507	19.5
112.95479	2.6
117.07008	3.6
117.95976	6.6
118.06538	81.6
118.08636	3.0
119.06133	3.1
119.06833	2.8
119.08543	9.9
135.97000	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	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
51.00714	1.0
54.43681	1.0
59.06116	2.8
59.93101	1.4
65.11427	1.2
70.04363	2.7
70.04777	2.6
72.04524	1.0
72.08147	3.2
76.93371	17.5
81.03598	1.1
83.01357	1.1
91.05480	49.2
92.05830	1.9
94.94421	2.9
95.04974	1.7
97.78387	1.0
117.05773	6.2
117.95962	1.4
118.06541	100.0
119.06081	2.2
119.06887	4.1
122.62726	1.0
126.44499	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
50.01585	1.8
51.02367	7.3
53.03942	36.3
55.01859	1.7
55.05508	2.8
55.48702	1.2
56.93719	1.1
56.96547	3.9
58.02977	1.4
58.06604	2.1
58.50093	1.0
59.06124	10.5
59.93106	11.6
59.96931	1.1
65.03928	5.1
70.71188	4.2
72.04494	1.5
72.08159	10.3
76.93369	63.6
77.03905	8.7
77.93378	1.7
79.05485	2.2
81.03412	4.4
83.89886	1.2
91.05479	100.0
94.94403	30.5
95.04966	99.3
100.07631	1.7
105.04513	18.8
109.06547	1.2
111.57217	1.4
112.95428	12.4
116.05782	2.8
117.05791	4.0
117.07020	3.5
117.95945	8.3
118.06539	88.0
118.08640	2.4
118.96749	3.2
119.04958	4.2
119.06060	6.9
119.06895	4.1
119.08568	9.6
135.97055	7.1
136.47090	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.01592	2.7
51.02372	6.5
53.03706	2.4
53.03947	38.3
54.47688	1.4
54.75746	1.6
55.01867	3.6
55.05510	3.6
56.05021	3.6
56.96552	4.2
58.06588	3.1
59.06127	13.4
59.93100	4.8
60.04531	7.1
60.06450	3.3
65.03929	3.9
70.06591	1.8
71.57253	1.9
71.57599	2.5
72.04504	3.8
72.08157	16.5
72.34933	1.5
74.06056	2.1
75.05604	1.9
76.92957	2.9
76.93371	34.0
77.03923	7.2
81.03417	4.7
87.05585	2.1
91.05481	83.3
92.59568	1.4
94.94415	15.3
95.04969	91.9
96.05300	2.1
105.04512	16.2
112.95442	4.7
117.05743	4.5
117.07050	1.8
117.95941	4.3
118.06540	100.0
118.96777	2.5
119.03532	2.2
119.04998	1.8
119.06061	5.2
119.06854	4.0
119.08564	6.7
131.11807	1.4
135.96991	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	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
51.02366	5.6
53.03704	2.8
53.03943	47.7
55.01857	3.6
55.05480	1.8
63.42598	1.7
69.34049	3.8
69.34455	12.1
76.93357	6.2
77.03925	6.6
79.05515	2.8
81.03411	4.7
83.01340	2.9
91.05479	27.6
94.94402	2.9
95.04962	100.0
102.72021	1.5
103.05476	2.8
104.06244	3.6
105.04502	22.0
116.05753	2.8
117.07012	5.0
118.06541	71.5
119.06876	3.1
119.08583	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	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.14774	3.1
50.58222	4.7
51.02370	5.9
53.03748	4.2
53.03949	45.3
58.06603	17.3
59.07372	13.7
65.03929	4.4
71.58533	4.1
71.58963	3.5
72.08148	7.5
77.03921	6.0
79.40005	3.7
79.86524	3.5
81.03423	5.3
81.89341	3.5
91.05483	91.4
95.04366	6.3
95.04967	100.0
102.52917	3.9
105.04508	13.4
118.06545	73.0
118.08671	23.0
119.04888	4.1
119.06067	8.6
119.06860	4.7
119.08560	12.9
124.88415	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	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02377	7.5
53.03945	42.3
55.01847	4.6
55.05260	1.8
55.05507	20.7
56.05043	9.1
56.23269	1.4
56.69518	1.5
56.96336	1.9
56.96562	25.4
58.02947	2.8
58.06595	34.0
59.04993	1.7
59.06123	15.6
59.07373	2.0
59.93105	3.7
60.04519	7.8
60.06437	2.2
60.95842	1.6
65.03941	8.1
66.10978	1.4
67.05511	1.8
69.03393	2.0
69.71375	10.9
69.71893	1.4
70.06582	4.1
72.04496	5.9
72.08149	92.3
73.02901	2.5
73.08437	1.9
74.06049	3.4
76.93365	35.0
77.03928	5.5
81.03406	7.7
87.05557	2.3
91.05477	46.9
94.94389	11.1
95.04961	100.0
96.05284	3.0
100.02497	2.0
100.07625	3.2
105.04501	19.5
116.98632	1.8
117.95995	3.4
118.03529	2.4
118.06532	75.8
118.08643	7.0
118.96786	2.8
119.01882	4.2
119.03536	5.5
119.04948	7.1
119.06100	1.9
119.06875	3.6
119.08521	2.6
129.02278	2.1
135.97064	2.2
137.02911	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	1172.708
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03419	0.2
87.04456	9.4
89.06018	35.5
90.06366	0.1
91.05465	4.2
91.07599	0.2
93.07024	0.3
95.04958	4.1
98.21505	0.3
102.04671	0.1
103.05457	6.9
105.07014	100.0
106.07340	0.6
107.04971	0.2
107.07057	1.0
113.06001	0.9
115.05424	0.4
115.07572	0.4
116.06210	0.5
117.06994	0.8
117.09116	2.5
119.04924	0.2
119.08543	0.7
121.06489	2.2
128.06186	0.5
129.06995	1.4
130.07762	0.1
130.08609	0.8
131.07051	3.0
131.08546	7.1
132.05717	0.1
133.08583	25.4
133.10191	0.8
135.08055	0.2
135.10159	0.2
139.07521	0.1
141.06976	0.2
142.07817	0.1
143.08542	0.1
145.06459	0.6
145.10153	0.1
147.08025	2.4
147.09204	0.1
149.09599	0.8
151.09676	0.2
153.06868	0.1
155.08537	0.2
157.08606	0.3
157.10094	0.2
159.10184	0.6
159.11443	0.1
161.11717	0.7
163.07487	0.1
163.11241	0.1
165.06964	0.3
165.09079	0.4
166.07787	0.4
167.08646	0.1
169.10094	0.2
173.09604	0.5
175.09665	2.0
175.11156	0.3
177.11195	8.3
178.07816	0.2
179.08571	0.3
179.12689	0.1
181.10117	0.7
183.10268	0.1
191.08643	0.1
191.10663	0.3
192.09306	0.2
193.10339	0.2
193.12163	0.2
194.07094	0.1
195.08072	0.2
195.11769	0.1
203.08640	0.2
205.10104	0.2
207.08008	0.1
207.11690	0.3
208.08722	0.1
209.09828	0.1
209.11673	0.2
209.13408	0.4
211.13252	0.1
218.10745	0.1
219.12209	0.7
221.09618	0.2
221.13785	1.2
222.10410	0.2
223.11166	1.1
223.15385	0.3
225.12708	6.1
227.12755	0.4
230.65459	0.1
234.10545	0.1
235.14838	0.5
236.12088	0.1
237.12912	0.2
239.14677	0.5
249.12778	0.7
251.14276	17.4
252.14632	0.2
253.15883	4.2
262.13611	0.1
265.16342	0.2
267.13821	0.7
267.17761	0.3
269.15366	0.8
271.15259	0.4
277.15756	0.2
283.17398	0.6
295.16946	0.6
297.18353	0.2
309.19135	0.1
311.16339	0.7
313.18213	0.6
315.17996	0.3
325.15695	0.2
327.17316	3.3
329.18948	14.0
330.19217	0.2
353.18698	0.8
355.20328	0.5
357.20868	0.2
359.20776	0.1
371.19882	0.9
373.21585	3.8
375.21677	0.3
397.24237	0.2
401.22531	0.1
405.22217	0.1
415.22617	0.1
417.24179	0.1
419.24573	0.2
431.23624	0.3
433.25140	0.3
459.26563	0.1
463.26877	0.2
477.27878	5.0
503.29636	0.1
628.19934	0.1
765.31580	0.1
963.53912	0.1
1011.71283	0.1
1051.61792	0.1
1155.67017	0.3
1172.70520	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1172.7088
Annotation	Unknow
Peak:m/z	Relative Intensity
83.13849	0.1
87.04457	9.3
89.06020	34.6
90.06364	0.2
91.05470	4.0
91.07602	0.2
93.07027	0.3
95.04960	4.2
97.06506	0.1
102.04657	0.1
103.05458	7.2
105.07017	100.0
106.07344	1.1
107.04950	0.2
107.07050	0.8
113.05987	0.8
115.05423	0.6
115.07576	0.4
116.06236	0.4
117.07018	0.5
117.09122	2.6
119.04915	0.3
119.08567	0.8
121.06490	2.1
128.06207	0.5
129.06981	1.4
130.08618	0.7
131.07057	3.0
131.08549	7.1
133.08586	25.8
133.10194	0.8
134.08963	0.2
135.08102	0.2
135.10159	0.2
144.08041	0.2
145.06483	0.5
147.08020	2.6
149.09583	0.9
151.09628	0.2
155.08505	0.2
157.08615	0.3
159.10158	0.4
159.11546	0.1
159.86028	0.1
161.11690	0.8
165.07022	0.3
165.09119	0.3
166.07788	0.4
167.08600	0.1
169.10193	0.2
173.09618	0.7
175.09674	2.0
175.11147	0.3
177.11203	8.8
178.07808	0.3
179.08514	0.5
179.12781	0.2
181.10136	0.7
191.08646	0.1
191.10664	0.3
192.09320	0.1
193.10603	0.3
193.12288	0.2
195.08034	0.2
195.11795	0.2
197.13435	0.1
201.11183	0.1
203.08551	0.2
203.12781	0.2
207.11679	0.2
208.08696	0.2
209.09657	0.2
209.11545	0.2
209.13284	0.4
211.11166	0.2
218.10815	0.2
219.12256	0.7
221.09575	0.1
221.13792	1.4
222.10399	0.2
223.11171	0.9
223.15378	0.4
225.12701	6.2
226.13019	0.2
227.12775	0.3
234.10349	0.1
235.14807	0.3
236.11641	0.1
237.12889	0.2
239.14728	0.3
249.12814	0.8
251.14285	16.6
252.14554	0.5
253.15912	3.5
265.16489	0.4
266.13083	0.1
267.13748	0.9
267.17593	0.2
269.15393	0.9
271.15442	0.4
277.15887	0.2
283.17456	0.4
295.16959	0.6
301.15884	0.2
304.53027	0.1
309.19110	0.3
311.16321	0.6
312.14755	0.1
313.18008	1.0
315.17886	0.4
327.17352	2.9
327.20877	0.2
328.17990	0.1
329.18958	14.8
330.19284	0.4
331.18997	0.2
339.19598	0.2
353.18567	0.6
355.20532	0.7
357.20657	0.2
371.19608	0.6
373.21591	3.5
375.21487	0.3
401.23578	0.1
415.22452	0.1
417.24164	0.3
419.24164	0.2
431.23697	0.2
433.25034	0.2
441.26816	0.1
445.25552	0.1
461.27011	0.2
477.27859	5.8
478.28162	0.3
521.30609	0.1
570.00378	0.1
714.23560	0.1
724.01660	0.1
783.97626	0.1
1051.60596	0.2
1155.65918	0.2
1172.70691	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1167.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03368	0.1
84.95975	0.2
93.68357	0.1
97.02829	0.1
98.97573	1.2
109.02869	0.5
110.62515	0.1
115.78149	0.1
116.98610	2.1
128.98546	0.1
131.00043	0.1
134.99644	2.3
137.71710	0.1
140.00165	0.1
143.00067	0.3
146.99597	0.3
149.01154	0.3
153.00705	0.6
158.01147	0.2
158.99554	0.3
161.01213	0.9
170.99545	0.1
173.01263	0.2
177.00706	0.8
179.02197	0.2
182.99501	0.1
185.01144	0.1
189.00606	0.1
201.00659	0.4
203.02249	0.2
208.00385	0.2
219.01758	0.7
237.02751	0.2
242.00798	0.1
261.02731	0.2
269.00500	0.1
292.94910	0.1
299.02057	0.1
302.00870	0.1
311.99106	0.5
317.03250	0.4
317.06549	0.4
318.06845	0.1
320.01947	0.1
321.03033	0.1
325.00504	0.1
330.00424	1.3
330.04150	0.2
333.02719	0.6
335.04471	0.1
339.98792	0.3
343.98325	3.0
344.02417	0.2
344.98874	0.2
345.02808	0.3
348.01468	1.7
351.03732	0.4
354.00385	0.2
355.01074	7.8
356.01855	0.3
357.99857	0.5
361.02237	1.4
361.99396	9.9
362.99756	0.5
363.03543	0.2
367.18085	0.3
372.01190	0.1
373.02209	8.5
374.02658	0.3
376.00974	5.0
377.01260	0.2
379.03348	1.0
380.00269	0.4
385.00885	0.6
390.02194	0.6
391.03305	100.0
392.03671	3.2
393.03696	0.9
394.02002	3.1
396.03818	0.9
397.03375	0.1
399.02658	0.2
403.03281	0.1
405.04831	0.4
408.03320	0.5
409.04376	41.8
410.04675	1.6
411.04694	0.5
414.04950	7.2
415.03293	1.6
419.06729	0.1
427.05447	0.1
429.04977	0.4
431.02444	0.1
432.06131	1.3
433.04385	5.2
434.04678	0.2
437.06329	0.3
441.04688	0.2
447.05865	0.6
451.05243	1.0
453.05209	0.1
456.05994	0.5
457.04318	0.8
459.05850	0.8
469.04327	1.5
471.05960	0.2
474.07770	0.1
475.05301	0.8
481.04095	0.6
487.05396	2.0
499.05396	1.3
510.07346	0.2
517.06500	6.6
518.06726	0.3
519.07135	0.1
523.05573	0.2
535.07550	5.8
536.07825	0.3
540.08179	0.1
541.06500	17.8
542.06995	0.7
543.07043	0.1
558.09088	0.9
559.07568	7.7
560.07990	0.4
577.08667	2.9
578.09796	0.1
582.08875	0.8
587.09644	0.2
600.10266	0.5
601.08148	0.4
603.07043	3.9
603.27289	0.3
605.06635	0.1
619.09747	0.4
621.08063	0.1
627.06812	0.4
645.07983	0.4
668.09802	0.1
671.07001	2.9
672.07269	0.1
689.08118	3.6
690.07776	0.2
712.09540	0.7
713.08337	0.2
714.83521	0.1
733.34094	0.1
833.12012	1.4
847.77905	0.1
875.13281	20.7
876.13379	0.8
917.14063	0.2
1037.17200	0.1
1079.19690	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0709
Annotation	L-Proline
Peak:m/z	Relative Intensity
53.00308	0.4
53.03943	0.3
55.01875	0.4
55.05511	0.4
56.05036	1.0
56.96560	0.2
57.03422	0.2
58.06601	1.1
59.04992	0.4
59.06129	1.9
61.07342	0.2
68.05031	0.4
69.42699	1.3
70.02956	1.0
70.06591	100.0
70.66846	0.2
71.01361	0.2
71.06923	1.9
72.08154	0.6
74.02441	2.9
74.41434	0.2
76.07646	1.0
84.04512	0.3
86.06089	0.3
87.09193	0.2
88.03997	2.0
89.61197	0.2
98.02428	0.2
98.06059	1.2
98.07134	0.2
98.20231	0.1
99.00826	0.9
99.10004	0.3
100.07596	0.2
100.13701	0.2
102.02197	0.2
116.03456	1.0
116.07095	6.7
117.07471	0.2
117.10242	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
60.19792	0.5
62.35622	0.5
70.06593	100.0
70.93737	0.9
70.94100	0.9
71.06932	2.4
98.05981	0.5
115.27454	0.5
116.07105	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	116.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	0.4
53.03949	0.2
54.58450	0.1
55.01875	0.2
55.05512	0.5
55.86364	0.1
56.05039	0.5
56.96564	0.2
57.51877	0.1
58.06606	1.4
59.05001	0.8
59.06125	3.7
63.53285	0.1
68.05042	0.4
70.02959	0.6
70.06593	100.0
71.01416	0.5
71.04987	0.1
71.06928	1.9
72.04528	0.1
72.08153	0.8
74.02448	2.3
74.06075	0.2
74.93835	0.3
76.07647	1.9
87.09224	0.3
88.04002	1.6
98.02405	0.2
98.06070	0.5
98.07182	0.3
99.00816	0.7
100.07629	0.6
116.03461	0.6
116.07097	6.3
116.10705	0.2
117.07442	0.2
117.10263	1.9
123.60833	0.1
126.57550	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	1156.6981
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03416	0.2
81.07052	0.3
87.04458	19.2
89.06020	62.5
90.06339	0.4
91.05468	17.8
91.07577	0.4
93.07034	2.0
95.04954	6.2
103.05453	11.3
104.06218	0.3
105.07015	100.0
106.07350	1.1
107.04943	3.6
107.07050	2.4
113.05975	1.4
115.05426	1.4
115.07552	0.8
116.06225	1.2
117.06999	3.6
117.09109	4.4
118.06518	0.3
119.04946	1.6
119.08566	7.6
120.08989	0.2
121.06487	11.5
121.10163	0.2
127.05434	0.3
128.06204	4.4
129.06993	6.1
130.07721	0.2
130.08614	2.0
131.04950	0.4
131.06018	0.3
131.07014	6.2
131.08546	11.3
132.05711	1.7
133.08585	47.3
133.10176	1.5
134.08916	0.3
135.08055	0.8
135.10170	0.4
141.06953	0.3
143.08502	0.2
144.08040	0.2
145.06480	2.0
145.10074	0.3
147.08028	61.5
148.08397	0.8
149.09596	12.2
151.09599	0.4
155.05956	0.3
155.08478	0.2
156.43724	0.1
157.08536	0.5
157.10065	0.4
159.08026	0.3
159.10164	0.8
159.11552	0.2
161.11714	1.5
163.07503	0.4
163.11153	0.8
165.07005	0.8
165.09079	0.7
166.07747	0.9
167.08604	0.2
171.08034	0.4
173.09618	1.7
175.09656	4.8
175.11121	0.7
177.11198	16.5
178.07767	0.7
179.08539	0.5
179.12779	0.4
181.10098	3.1
189.08984	0.2
191.08524	0.3
191.10626	1.0
192.09305	0.4
193.10574	0.4
193.12271	0.5
195.07977	0.2
195.12079	0.3
196.08682	0.2
201.11110	0.3
203.12787	0.2
205.10114	0.2
207.08046	0.4
207.11635	0.5
208.08850	1.0
209.09746	0.3
209.11542	0.3
209.13240	0.5
219.12288	1.5
220.08899	0.2
221.09570	0.4
221.13753	2.3
222.10402	0.6
223.11150	3.2
223.15356	0.5
225.12708	32.3
226.13031	0.5
227.12738	0.4
234.10339	0.6
235.11162	0.3
235.15024	0.3
236.11876	0.2
237.12848	0.9
239.14926	0.9
245.13982	0.2
248.20285	0.2
249.12724	6.4
251.14316	4.8
255.15794	0.5
265.16266	0.4
267.13748	1.4
267.18100	0.4
269.15262	1.6
271.15372	0.5
277.15784	0.3
283.17523	1.1
293.15384	0.2
295.16824	0.5
299.18283	0.3
307.13104	0.2
309.18896	0.4
311.16434	1.2
311.19614	0.2
311.25546	0.2
313.17902	1.5
315.18097	0.2
327.16992	1.2
327.20346	0.4
329.18942	1.4
339.19272	0.2
341.19351	0.2
355.20074	0.2
357.20502	0.4
359.20804	0.2
373.21597	9.0
374.21838	0.2
415.22455	0.5
417.23871	0.3
424.20508	0.2
445.25702	0.3
553.49744	0.2
567.29346	0.2
815.58533	0.2
832.54913	0.3
994.59717	0.3
1139.64294	0.6
1156.70081	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	1156.6985
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03413	0.4
83.19395	0.2
85.23344	0.2
87.04462	19.7
89.06025	62.8
91.05474	17.7
91.07584	0.4
93.07046	1.9
95.04963	5.8
103.05460	11.5
104.06261	0.4
105.07022	100.0
106.07343	0.9
107.04948	3.8
107.07052	2.2
109.06532	0.2
113.05990	1.6
115.05439	1.5
115.07581	0.9
116.06207	1.1
117.07000	2.9
117.09118	4.0
118.06525	0.2
119.04935	1.2
119.08570	7.8
121.06499	12.6
128.06210	3.7
129.07002	5.1
130.07779	0.3
130.08620	1.5
131.04884	0.3
131.07063	5.4
131.08553	12.2
132.05701	2.0
132.08882	0.2
133.06555	1.1
133.08592	46.1
133.10181	1.6
134.08846	0.3
135.08031	0.7
135.10147	0.3
140.38799	0.2
145.06477	2.2
145.10123	0.2
147.08037	60.6
148.08359	0.7
149.09608	11.8
151.09641	0.4
153.06963	0.2
155.06032	0.4
157.08568	0.6
157.10008	0.3
159.07961	0.2
159.10146	0.9
159.11555	0.3
161.09703	0.3
161.11713	1.0
163.07597	0.5
163.11160	0.5
165.06992	0.8
165.09103	0.7
166.07712	0.8
167.08504	0.3
171.07895	0.3
173.09601	1.6
175.09642	3.6
175.11183	0.8
177.11211	14.8
178.07747	0.5
179.08571	0.7
180.09485	0.2
181.10097	2.6
191.10637	0.8
192.09299	0.4
193.10368	0.4
193.12132	0.4
194.07303	0.2
195.07951	0.2
195.12132	0.3
196.08914	0.3
197.09630	0.2
201.11203	0.3
203.12697	0.3
206.10909	0.3
207.11670	0.6
208.08815	0.8
209.09586	0.5
209.11604	0.4
209.13344	0.4
219.12195	1.1
220.08780	0.2
221.09587	0.5
221.13762	2.1
222.10300	0.5
223.11139	2.9
223.15273	0.4
225.12720	30.1
226.13022	0.5
227.12685	0.3
234.10403	0.2
235.13028	0.4
235.15057	0.3
237.12737	0.6
237.14938	0.2
239.14867	0.6
249.12740	4.5
251.14310	4.6
255.15703	0.4
265.16397	0.4
267.13782	1.2
269.15341	1.8
271.15393	0.6
277.15714	0.4
283.17453	0.9
295.16837	0.6
297.18573	0.3
299.18332	0.2
311.16306	0.8
313.17886	1.1
315.17908	0.5
327.17206	1.1
329.18988	1.2
339.19437	0.2
341.19339	0.2
353.21631	0.3
373.21609	9.0
397.23932	0.2
399.22321	0.3
415.22556	0.3
417.24591	0.2
444.41806	0.2
445.25571	0.4
508.45737	0.2
570.60168	0.2
919.73785	0.2
962.87402	0.2
1034.30762	0.2
1139.65430	0.3
1156.69873	2.5
1157.64941	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1155.6827
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03410	0.2
81.07050	0.1
87.04455	10.6
89.06017	33.2
90.06342	0.2
91.05463	4.4
91.07597	0.1
93.07045	0.3
95.04956	3.9
97.06471	0.1
102.04684	0.1
103.05453	7.3
105.07012	100.0
106.07345	1.3
107.04932	0.2
107.07047	1.2
113.05997	0.7
115.05421	0.6
115.07562	0.3
116.06226	0.5
117.06984	0.7
117.08265	0.1
117.09109	2.1
118.06526	0.1
119.04911	0.2
119.08566	0.8
121.06490	2.7
128.06192	0.6
129.06126	0.1
129.06995	1.5
130.08618	1.2
131.07048	2.9
131.08540	6.9
132.05638	0.1
132.08908	0.2
133.08580	21.6
133.10179	0.7
134.08878	0.1
135.08061	0.2
135.10164	0.2
139.07533	0.1
141.06975	0.1
143.08522	0.2
145.06453	0.5
145.10118	0.1
147.08020	2.6
149.09583	0.8
151.09634	0.2
152.06235	0.1
153.06932	0.1
155.08522	0.2
157.08620	0.2
157.10081	0.1
159.10138	0.3
161.09624	0.1
161.11696	0.6
163.07494	0.1
163.11168	0.1
165.07008	0.5
165.09099	0.3
166.07751	0.5
167.08632	0.2
169.10069	0.2
171.08026	0.1
173.09560	0.6
175.09659	1.6
175.11116	0.2
177.11194	5.9
178.07759	0.2
179.08597	0.4
180.09348	0.1
181.10083	0.6
183.10144	0.1
183.11697	0.1
183.73785	0.1
191.08527	0.2
191.10631	0.3
192.09355	0.3
193.10275	0.3
193.12180	0.1
194.07423	0.1
195.07918	0.2
197.09566	0.1
203.08505	0.2
205.10065	0.1
206.10904	0.1
207.08073	0.2
207.11688	0.3
208.08768	0.2
209.09624	0.2
209.11580	0.2
209.13269	0.3
211.11166	0.1
218.10915	0.2
219.12187	0.3
221.09589	0.2
221.13815	0.7
222.10350	0.2
223.11163	0.9
223.15170	0.2
225.12701	5.4
226.13132	0.1
227.12791	0.3
230.78601	0.1
233.13260	0.2
234.10298	0.1
235.11192	0.1
235.14809	0.3
236.11961	0.2
237.12704	0.2
239.14551	0.3
247.11105	0.1
249.12692	0.9
251.14275	16.3
252.14680	0.5
253.15891	4.0
254.16124	0.1
255.15852	0.1
267.13782	0.5
267.17526	0.3
269.15320	0.8
271.15286	0.3
277.15845	0.2
283.17456	0.2
295.16901	0.6
299.18829	0.1
301.15637	0.2
310.15671	0.1
311.16309	0.6
313.18161	0.5
315.17874	0.3
325.15820	0.1
327.17340	2.4
327.20966	0.2
329.18945	11.9
330.19333	0.3
353.18829	0.9
355.20435	0.4
357.20581	0.1
359.20398	0.1
371.19858	0.7
373.21573	2.4
374.21762	0.1
375.21512	0.1
392.01456	0.1
401.22803	0.1
415.22562	0.2
419.24155	0.2
431.23825	0.1
433.25217	0.1
477.27786	2.4
478.28198	0.1
704.61890	0.1
896.79138	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	1155.6819
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03407	0.2
87.04459	11.4
89.06020	37.6
90.06367	0.3
91.05467	4.4
91.07600	0.2
93.07040	0.3
95.04958	4.2
96.05306	0.1
98.20689	0.3
103.05457	6.8
104.05791	0.1
105.07017	100.0
106.07349	1.4
107.04951	0.2
107.07066	1.0
113.06031	0.7
115.05424	0.5
115.07557	0.4
116.06222	0.5
117.06994	0.9
117.09116	2.4
119.04945	0.3
119.08525	0.6
121.06491	2.3
127.48618	0.1
128.06161	0.5
129.06995	1.6
130.08636	1.1
131.07053	3.0
131.08549	7.9
132.08868	0.1
133.08586	25.3
133.10201	0.8
134.08932	0.3
135.08055	0.2
135.10117	0.2
141.06960	0.2
143.08542	0.2
145.06490	0.5
147.08023	2.2
147.68811	0.1
149.09560	0.8
153.07001	0.2
155.08533	0.2
157.08707	0.2
157.10123	0.2
158.07204	0.1
159.10147	0.4
159.11447	0.1
161.09610	0.1
161.11656	0.7
163.11151	0.1
165.07040	0.4
165.09120	0.3
166.07788	0.5
169.10146	0.2
173.09607	0.5
175.09657	1.8
175.11095	0.2
177.11201	7.3
178.07820	0.4
179.08565	0.3
179.12761	0.2
181.10100	0.7
183.10106	0.2
188.37668	0.1
191.08662	0.2
191.10617	0.3
192.09300	0.2
193.10326	0.2
193.12239	0.2
195.08040	0.1
203.08598	0.2
204.09277	0.1
205.10165	0.2
207.07944	0.1
207.11684	0.3
208.08846	0.2
209.09634	0.1
209.11601	0.3
209.13303	0.3
211.11238	0.1
217.10060	0.1
219.12248	0.4
221.13779	0.8
222.10298	0.2
223.11160	1.3
223.15387	0.2
225.12708	5.8
226.13109	0.2
227.12767	0.4
229.61687	0.1
235.14836	0.4
236.11900	0.1
237.12798	0.3
239.14554	0.2
249.12717	0.9
251.14291	15.5
252.14622	0.6
253.15913	3.8
254.16132	0.1
267.13791	0.6
267.17661	0.3
269.15393	1.0
271.15381	0.4
277.15839	0.2
283.17456	0.2
295.16968	0.6
301.15686	0.1
309.19095	0.2
311.16431	0.6
313.17929	0.7
315.17926	0.4
317.66937	0.1
327.17380	2.4
329.18958	14.3
330.19327	0.7
339.19629	0.2
353.18759	0.6
355.20471	0.5
357.20459	0.2
359.20602	0.2
371.19949	0.8
373.21573	2.9
373.25992	0.2
374.21631	0.1
415.22537	0.2
419.24347	0.2
463.26602	0.2
477.27875	3.8
478.27994	0.3
541.08038	0.1
685.12756	0.1
1042.49597	0.1
1098.95313	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	1152.6458
Annotation	Unknow
Peak:m/z	Relative Intensity
80.06310	0.1
81.03410	0.2
81.07056	14.6
83.04994	0.2
83.08620	1.5
85.06531	0.4
91.05480	4.5
92.44959	0.1
93.07043	9.6
94.07392	0.2
95.04967	1.5
95.08604	11.9
96.08919	0.1
97.06528	0.7
97.10175	0.5
98.06032	0.3
98.98454	0.4
105.07024	2.4
107.08593	4.6
108.53669	0.1
109.06510	0.5
109.10155	4.6
111.08047	0.4
117.07027	0.9
119.08580	1.8
121.10138	4.0
123.08084	0.4
123.11716	1.2
124.01630	0.4
129.81097	0.1
131.08560	1.6
133.10109	1.4
135.08041	0.2
135.11690	1.9
137.09598	0.2
137.13254	0.3
145.10123	1.2
147.11638	0.7
149.09598	0.2
149.13228	0.9
159.11684	0.8
161.13268	0.5
163.14799	0.3
173.13225	0.4
175.14767	0.2
187.14694	0.2
198.05305	0.3
201.16344	0.2
216.06326	0.7
227.60838	0.1
261.22195	0.5
274.14459	0.1
304.26324	1.4
318.97467	0.1
335.25787	100.0
336.26129	3.3
363.51993	0.1
452.93082	0.2
458.26852	0.9
476.27759	4.1
581.57501	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	1152.6445
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07061	14.9
83.04980	0.7
83.08624	1.4
83.09042	0.2
85.06554	0.4
91.05484	8.0
93.07045	15.0
95.04982	1.8
95.08608	13.4
97.06541	0.6
97.10149	0.9
98.06052	0.9
98.98468	4.4
99.08099	0.5
104.26525	0.3
105.06384	0.5
105.07036	5.3
107.08597	7.7
109.06522	0.5
109.10158	4.6
111.08076	0.7
115.05429	0.3
117.07027	1.7
119.08582	4.2
121.06475	0.3
121.10150	6.2
123.08084	0.5
123.11712	1.7
124.01611	1.2
125.09655	0.4
127.07527	0.2
131.08585	3.1
133.10127	2.8
135.08083	0.4
135.11699	3.4
137.09607	0.6
137.13266	0.5
142.02579	0.6
145.10104	1.7
147.11693	2.0
149.09634	0.4
149.13220	1.5
151.11217	0.4
151.14813	0.4
155.01022	1.5
158.51393	0.2
159.11693	1.7
161.13309	1.5
163.14857	2.1
173.02124	1.3
173.13341	1.2
175.14813	0.8
177.16394	0.5
187.14841	0.7
198.05278	1.3
198.16301	0.2
201.16315	0.3
216.06306	2.9
233.22507	0.3
243.21074	2.8
245.22699	0.3
261.22137	4.7
262.22375	0.3
273.90515	0.3
304.26340	6.2
317.24786	0.5
335.25806	100.0
336.26108	2.8
382.29858	0.2
415.22577	2.7
433.23166	0.4
452.39160	0.2
458.26678	20.8
459.27063	0.6
460.87341	0.2
476.27753	29.0
477.27847	0.8
818.37323	0.2
1183.32227	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1150.8399
Annotation	Unknow
Peak:m/z	Relative Intensity
84.08134	3.3
84.08595	0.2
85.10186	0.2
86.06107	0.2
86.09700	4.6
87.04482	0.3
88.07619	0.3
89.06027	2.2
89.06547	0.2
93.86236	0.1
95.35877	0.1
96.08159	0.4
98.09696	0.2
100.07624	0.3
105.07065	0.3
114.09158	3.3
119.08636	0.1
125.96460	0.2
130.12411	0.1
132.10306	0.1
133.08604	0.1
225.07330	0.1
232.57184	0.2
246.17052	0.1
271.32602	0.1
296.33057	1.6
310.34897	0.4
322.34644	4.3
324.36203	6.7
340.35925	0.4
384.38577	0.2
428.41330	0.2
454.42917	0.2
516.46405	0.2
560.49091	0.2
604.51300	1.7
639.23175	0.2
648.54077	2.7
692.56659	3.3
693.57178	0.2
736.59271	3.3
780.61908	2.5
781.62384	0.2
824.64551	1.8
868.66888	1.0
896.07806	0.2
1101.67529	0.2
1150.83887	100.0
1151.83606	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	1144.6931
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05486	5.4
87.04458	7.4
89.06020	30.5
91.05470	4.4
91.19675	0.4
95.04942	4.2
103.05460	6.7
105.07019	100.0
106.06630	0.4
106.07374	1.2
107.07069	1.2
115.05462	0.8
116.06207	0.4
117.06962	2.0
117.09117	1.8
121.06503	1.4
129.07030	1.4
130.08665	1.0
131.07074	2.7
131.08549	10.1
133.08586	26.0
147.08020	1.1
149.09598	0.5
151.09669	0.7
153.06938	0.4
155.08513	0.7
161.11713	0.6
165.07033	0.7
166.07788	0.5
167.08521	0.9
175.09656	1.7
177.11200	9.8
177.12671	0.7
179.08583	1.1
181.10147	0.8
186.65846	0.4
193.10139	0.4
194.10896	2.2
194.93767	0.4
207.11722	0.8
209.13248	14.5
211.10992	0.4
211.13194	0.4
219.12309	0.7
221.13837	1.2
225.12709	3.0
235.14835	1.5
237.12782	1.0
239.14835	0.7
249.12717	0.5
251.14299	3.7
253.15953	1.0
265.16528	0.6
269.15399	1.3
283.17419	0.5
295.16824	0.6
304.76849	0.5
313.17883	0.6
315.17368	2.1
327.17212	0.6
329.18930	4.6
355.20532	3.3
373.21683	1.6
429.09348	0.5
431.23724	1.2
433.25024	3.1
475.25977	0.5
477.27905	1.9
581.34088	2.6
691.34534	0.5
836.79266	0.5
1144.68262	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
54.03471	1.6
55.01867	2.2
55.05503	1.5
55.93513	1.5
56.05025	0.8
56.96565	15.3
57.03445	5.5
57.04559	1.6
58.02949	1.9
58.99869	1.2
59.03746	0.7
60.04520	0.9
63.55513	0.6
65.03928	0.7
67.02993	4.0
67.05529	0.7
68.02633	0.9
68.05027	1.8
69.03428	4.9
69.04552	1.8
69.07066	2.5
69.95791	3.5
70.06585	2.9
72.04516	38.9
72.08153	2.8
72.52963	0.7
72.93789	100.0
73.02910	2.9
73.04035	1.6
73.93812	0.9
74.04822	25.5
77.00906	3.0
79.05485	3.4
81.01904	1.0
81.03419	1.8
81.04581	0.9
81.53487	0.8
82.01455	1.2
82.05338	1.1
84.08131	0.8
84.79259	0.6
85.02903	1.7
85.53742	0.9
86.06073	2.9
86.52718	1.8
87.04456	0.7
87.05592	3.0
88.02682	2.3
88.51707	2.5
89.01740	12.3
89.51560	11.6
90.01598	0.9
90.94830	32.6
91.54307	0.9
93.53547	0.7
95.01957	1.7
96.05644	1.7
96.06315	0.6
96.08142	2.6
97.02904	1.0
97.03996	1.1
97.06489	0.9
97.07671	1.0
98.02261	1.7
98.52099	1.5
100.02483	12.1
100.52525	1.0
101.00890	2.2
101.01644	1.4
101.02455	1.4
102.02332	1.9
103.02447	1.1
105.00356	1.7
105.03378	0.8
108.95873	9.5
110.62885	0.6
111.02938	4.4
111.04465	0.8
111.53004	1.5
113.00893	0.7
113.96397	5.4
114.04025	2.4
114.05520	0.9
114.05790	0.7
114.06665	9.5
114.09165	18.3
114.10310	2.1
115.01141	0.7
115.02463	2.3
118.01144	1.1
118.03515	11.9
118.04286	1.0
119.01929	11.6
119.03667	1.9
120.02033	2.9
120.03334	3.4
120.53949	0.8
121.01672	2.0
121.02853	11.7
123.01424	1.2
126.49247	5.6
126.99079	6.4
127.49149	0.9
131.01904	9.5
131.97443	5.4
132.02049	1.6
132.05067	56.1
133.01689	1.0
133.03552	3.5
133.05354	1.6
134.03746	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1139.6715
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05484	10.5
81.03410	0.5
81.07085	0.4
82.13020	0.3
87.04459	20.3
87.50674	0.2
89.06020	52.1
91.05470	23.9
91.06062	0.6
92.05777	0.3
93.07025	2.2
95.04960	6.8
103.05453	13.3
104.06275	0.5
105.04601	1.4
105.07017	100.0
106.07347	1.1
107.04949	5.1
107.07053	2.7
107.08593	0.3
113.05993	1.7
115.05434	2.1
115.07560	0.5
116.06208	1.6
117.06997	4.3
117.09129	3.3
119.04951	1.9
119.08563	9.9
121.02865	0.3
121.06491	12.4
128.06197	5.3
129.06984	6.3
130.08646	1.6
131.04921	0.5
131.07050	4.5
131.08548	10.2
132.05692	2.4
133.06454	1.0
133.08586	33.1
133.10005	1.5
135.08054	0.8
140.85742	0.3
141.06976	0.5
143.08551	0.3
145.06477	2.5
146.99617	0.3
147.08028	57.8
148.08360	0.7
149.01181	0.4
149.09605	9.1
151.09660	0.4
155.06015	0.7
157.08662	0.4
157.10092	0.7
159.10170	0.5
161.09647	0.4
161.11722	0.8
163.11128	0.6
165.07022	1.0
165.09090	0.6
166.07785	1.3
173.09578	1.8
175.09634	2.5
175.11000	0.4
177.11201	7.7
178.07770	0.5
179.08536	1.0
181.10094	2.3
191.08473	0.4
191.10570	0.7
192.09323	0.8
193.10379	0.5
194.07156	0.4
206.10924	0.3
207.08018	0.6
207.11600	0.5
208.08900	1.4
209.09570	0.5
219.12283	0.4
220.08820	0.3
221.09634	0.4
221.13792	1.5
222.10385	0.4
223.11150	2.6
223.15434	0.3
225.12709	20.5
226.13074	0.3
234.10281	0.4
237.12700	0.4
239.14761	0.3
249.12762	4.7
251.14310	3.3
267.13882	1.2
269.15283	1.1
277.15894	0.4
283.17630	0.4
295.16769	0.6
299.18182	0.3
311.16327	0.6
311.25674	0.8
312.26172	0.4
313.17841	1.0
313.27246	0.6
315.18106	0.3
321.04703	0.3
327.17340	0.9
329.18927	0.7
373.21582	3.4
457.09836	0.3
487.42181	0.3
1139.56555	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1139.6723
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05489	8.1
87.03910	0.9
87.04461	24.5
89.06024	68.3
91.05476	17.6
93.07066	1.9
93.07769	0.4
95.04961	5.8
97.06496	0.4
98.21492	1.5
103.05460	12.2
105.07021	100.0
106.07352	1.2
107.04938	3.9
107.07041	3.1
107.08560	0.6
113.05997	2.0
115.05436	1.2
115.07565	0.5
116.06233	1.2
117.07010	2.9
117.09137	4.2
119.04944	1.6
119.08572	7.6
121.06499	13.2
122.26505	0.4
128.06212	3.3
128.54169	0.4
129.06996	6.3
130.08641	2.4
131.07045	6.2
131.08559	11.6
131.95482	0.4
132.05695	2.2
133.06543	1.9
133.08592	44.0
133.10191	1.4
134.08870	0.4
135.08063	1.0
144.05663	0.4
145.06451	2.3
147.08037	57.6
148.08386	0.5
149.09607	10.7
149.10736	0.8
151.09686	0.4
154.47803	0.5
158.07205	0.4
159.08171	0.4
159.10184	0.4
161.11732	0.8
163.07567	0.6
163.11143	0.6
165.06996	0.9
165.09076	0.8
166.07751	0.5
169.22050	0.4
171.08055	0.5
173.09590	1.8
175.09656	2.7
175.11186	0.9
175.39963	0.4
177.11209	11.3
178.07722	0.6
179.08588	0.5
181.10164	2.7
189.00671	0.6
190.93785	0.4
191.10654	1.1
191.48412	0.4
192.09358	0.6
193.10565	0.6
193.12286	0.6
194.07286	0.4
207.11696	0.8
208.08862	0.9
209.43282	0.4
219.12187	0.8
221.13730	1.5
223.11147	3.2
223.15466	0.5
225.12717	28.4
226.12988	0.6
230.45667	0.5
236.11974	0.5
237.12714	0.8
239.14859	0.4
239.43208	0.4
249.12737	6.9
251.14336	3.9
267.13708	1.2
269.15286	1.3
271.15356	0.5
277.16064	0.5
284.01779	0.4
311.16318	1.2
311.25833	1.0
312.26068	0.7
313.17892	1.3
313.26935	0.6
327.17288	1.1
329.19006	0.8
373.21606	5.4
374.21692	0.6
394.11258	0.4
444.41541	0.5
693.32922	0.4
781.36523	0.4
830.56311	0.4
922.83154	0.5
1138.79761	0.5
1139.57031	1.6
1139.80237	0.6
1140.58386	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1139.6682
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05489	5.6
81.07053	0.2
83.04616	0.1
87.04464	14.7
89.06027	42.8
90.22881	0.2
91.05472	4.3
91.07610	0.2
93.07053	0.8
95.04970	4.2
97.06509	0.2
98.20662	0.2
103.05461	7.3
105.07025	100.0
106.07347	0.5
107.04963	0.4
107.07079	1.5
107.52721	0.2
110.41261	0.2
113.06010	1.3
115.05459	0.7
115.07578	0.6
116.06244	0.5
117.06993	0.7
117.09135	3.1
117.09966	0.2
119.04935	0.5
119.08549	1.3
121.06501	5.0
128.06216	0.5
129.07007	1.4
130.08641	1.4
131.07024	4.1
131.08557	7.0
132.05727	0.2
133.08597	29.9
133.10204	0.8
135.08072	0.2
135.10172	0.3
141.06987	0.3
143.08557	0.3
145.06488	0.7
147.08049	4.3
148.68378	0.2
149.09590	1.7
150.84395	0.1
151.09634	0.2
153.06966	0.2
155.08377	0.2
157.08585	0.4
157.10002	0.2
159.10147	0.5
161.11719	0.8
163.07529	0.2
163.11166	0.3
165.06989	0.7
165.09137	0.6
166.07758	0.8
169.10100	0.5
173.09607	0.5
175.09656	2.5
175.11093	0.2
177.11212	8.3
178.07771	0.4
179.08582	0.5
179.12857	0.2
181.10121	0.2
183.10208	0.3
189.09131	0.3
191.08621	0.3
191.10660	0.6
192.09325	0.6
193.10747	0.3
193.12282	0.4
195.12054	0.2
201.11230	0.2
207.08089	0.2
207.11763	0.2
209.11653	0.6
209.13332	0.3
211.13266	0.2
219.12242	0.6
221.13788	0.8
223.11153	2.1
225.12730	16.8
227.12712	0.4
237.12776	0.2
239.14577	0.5
249.12730	1.0
251.14349	3.5
253.15871	0.6
267.13779	0.8
267.17834	0.2
269.15384	2.3
271.15176	0.3
277.15918	0.2
283.17450	0.3
295.16858	0.7
297.18469	0.2
301.15811	0.2
311.16385	0.5
313.17953	0.8
315.17847	0.3
327.17395	1.3
329.19034	0.9
373.21609	8.5
374.22153	0.2
416.99350	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1139.6719
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05483	6.3
81.03411	0.2
81.07048	0.2
87.04459	14.2
88.26392	0.1
89.06021	40.6
90.06341	0.2
91.05470	5.2
91.07618	0.2
93.07044	0.7
95.04958	4.0
97.06503	0.2
103.05459	6.5
104.06271	0.1
105.07018	100.0
106.07345	1.3
107.04961	0.5
107.07060	1.8
113.06010	1.0
115.05445	0.5
115.07587	0.4
116.06234	0.4
117.07006	0.9
117.08511	0.1
117.09120	3.2
119.04956	0.7
119.08562	1.3
121.06494	4.9
122.06786	0.1
128.06189	0.5
129.06989	1.6
130.08626	1.5
131.06009	0.2
131.07031	3.8
131.08562	6.1
133.08588	26.3
133.10190	0.8
134.08932	0.2
135.08020	0.3
135.10121	0.2
139.07500	0.1
141.06972	0.2
142.07841	0.2
143.08528	0.2
145.06461	0.6
145.10092	0.2
147.08025	4.3
149.09602	1.6
151.09651	0.2
153.07004	0.1
155.08528	0.2
157.08597	0.4
157.10091	0.2
159.08078	0.1
159.10168	0.7
159.11549	0.2
161.09669	0.2
161.11668	0.9
163.07445	0.2
163.11154	0.2
165.07004	0.9
165.09079	0.8
166.07745	0.6
167.08551	0.2
169.10164	0.3
171.07999	0.1
173.09602	0.4
175.09657	2.2
175.11090	0.2
177.11209	7.2
178.07785	0.3
179.08549	0.2
180.09401	0.1
181.06471	0.1
181.10094	0.3
183.10104	0.2
189.09079	0.1
191.08591	0.3
191.10667	0.7
192.09354	0.5
193.10561	0.3
193.12267	0.4
195.11653	0.1
196.08829	0.1
197.09619	0.2
199.35242	0.1
201.11201	0.2
207.11864	0.2
207.13985	0.1
208.08896	0.1
209.09915	0.1
209.11691	0.5
209.13412	0.2
211.13315	0.2
214.07938	0.1
219.12228	0.5
221.13751	0.7
223.11150	1.8
223.15434	0.2
225.12715	16.8
226.13058	0.3
227.12773	0.4
235.13145	0.2
237.12749	0.1
239.14708	0.5
249.12701	0.7
251.14301	3.4
253.15872	0.4
255.15874	0.3
267.13779	1.0
267.17572	0.3
269.15326	2.4
271.15286	0.3
277.16095	0.1
279.15900	0.2
283.17548	0.2
293.15338	0.2
295.16940	0.8
297.18491	0.2
299.18475	0.2
300.85919	0.1
301.15891	0.3
311.16406	0.6
313.17871	0.6
315.18045	0.2
327.17282	1.3
327.20532	0.2
329.18964	0.9
355.20026	0.2
357.20166	0.1
371.19949	0.1
373.21591	7.3
374.21838	0.2
401.23370	0.1
417.24194	0.1
461.26666	0.2
524.96008	0.1
791.69385	0.1
831.37903	0.1
1139.76660	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1133.6015
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07062	0.1
91.05486	0.2
93.07016	0.2
93.59117	0.1
95.08645	0.2
105.07061	0.2
119.08587	0.2
133.10237	0.2
139.96957	0.1
182.98895	0.1
193.94333	0.1
199.07466	0.2
200.11829	0.1
207.54875	0.1
222.80667	0.1
249.75000	0.1
725.90198	0.2
1133.60168	100.0
1134.60217	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	1133.6383
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05506	0.2
82.15950	0.1
83.01089	1.2
87.04454	0.2
89.06026	0.7
90.06358	0.2
95.04754	0.1
97.02657	0.3
98.20724	0.2
103.05515	0.1
105.07020	1.6
106.07343	0.7
111.04187	4.7
112.05024	0.1
113.05809	0.2
117.49928	0.1
125.02087	0.1
125.05781	0.3
127.03659	3.2
128.04509	0.1
131.08667	0.1
133.08585	0.5
139.07281	1.2
141.05209	1.6
141.06194	0.1
141.08926	0.2
144.03957	0.2
147.08174	0.1
155.06766	4.5
156.07541	0.2
157.08369	0.1
169.08382	0.9
171.06267	3.5
172.07111	0.3
183.09906	1.7
185.07840	1.6
188.06477	0.5
192.70430	0.1
199.09386	6.0
200.10152	0.1
201.07423	0.3
202.08195	0.3
213.10954	1.0
215.08876	2.3
216.09689	0.9
216.11523	0.1
217.06833	0.2
218.07642	0.1
227.12518	1.6
227.14523	0.1
229.10442	0.8
229.77972	0.1
232.09114	0.5
243.12012	4.8
245.10106	0.3
246.10696	0.6
251.14342	0.1
252.14719	0.1
257.13565	1.5
257.15921	0.1
259.11478	1.4
259.13818	0.1
260.12433	0.2
261.09735	0.2
262.10376	0.3
271.15121	3.9
273.13007	1.1
273.15515	0.1
276.11948	0.2
287.14606	4.2
289.12704	0.2
290.13428	0.1
301.16208	0.8
303.14072	1.2
315.17770	1.9
315.21304	0.1
317.15833	0.3
329.19153	0.1
331.17209	4.2
345.19028	0.3
347.16653	1.4
347.20343	0.1
359.20291	0.7
361.18350	0.2
375.19852	2.6
389.21695	0.1
391.19324	2.1
391.23880	0.1
398.82037	0.1
403.23032	0.5
405.21140	0.1
413.18994	0.3
419.22470	4.5
420.23047	0.1
435.21890	2.2
447.25974	0.1
463.25095	2.4
463.31137	0.1
479.24561	2.2
491.28448	0.3
507.27731	4.5
523.27167	2.6
524.27991	0.1
535.31323	0.2
551.30426	1.5
567.29736	2.3
567.37787	0.1
579.33813	0.1
595.32953	4.5
596.33411	0.2
611.32385	3.4
612.34149	0.1
639.35413	1.1
640.36218	0.1
655.34924	2.6
656.35046	0.1
683.38171	4.3
684.38910	0.3
699.37640	3.7
700.38800	0.3
727.40839	1.0
937.50879	0.1
1133.63586	100.0
1134.63586	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	113.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03473	24.3
56.05025	5.6
58.06592	5.6
60.84789	5.5
66.11996	6.0
67.01847	5.7
67.05502	8.0
68.05041	6.3
70.02950	17.4
70.06573	18.3
71.06161	4.6
71.60903	5.4
71.94100	16.9
72.08157	10.4
72.93790	24.7
77.17833	4.5
81.04534	19.5
83.06107	100.0
90.94815	11.8
95.06097	11.5
96.00863	11.7
96.08124	15.6
98.00761	5.2
99.00657	5.5
108.95877	6.9
113.00018	8.8
113.02360	72.4
113.03501	22.9
113.05962	7.0
113.07115	21.6
113.09048	15.0
113.10767	9.7
114.09185	17.8
114.10276	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1133.6014
Annotation	Unknow
Peak:m/z	Relative Intensity
82.98449	0.2
105.07045	0.3
117.16682	0.2
119.08653	0.2
157.87280	0.2
164.77011	0.2
165.21207	0.2
215.79193	0.2
317.36981	0.2
611.29633	0.2
699.36298	0.2
896.44214	0.2
1133.60107	100.0
1134.60083	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	1128.6827
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05484	6.4
81.03416	0.2
87.04461	8.9
89.06021	33.8
91.04884	0.1
91.05467	3.7
91.07589	0.2
93.07040	0.2
95.04960	3.9
97.06487	0.1
97.65562	0.1
102.04659	0.1
103.05459	6.8
105.07018	100.0
106.07343	0.6
107.04969	0.2
107.07058	1.1
113.06025	0.5
115.05417	0.5
115.07581	0.4
116.06188	0.5
117.06995	0.6
117.09119	2.2
119.04933	0.3
119.08584	0.7
121.06497	2.4
128.06247	0.3
129.07002	1.4
130.08626	0.9
131.07054	3.1
131.08548	6.8
133.08588	26.9
134.08878	0.1
135.08049	0.1
135.10147	0.2
141.06989	0.1
145.06470	0.5
147.08029	2.7
149.09592	0.9
151.09621	0.3
155.08533	0.2
157.08679	0.2
157.10118	0.2
158.07222	0.1
159.10168	0.4
161.11696	0.7
165.07037	0.4
165.09099	0.4
166.07753	0.4
167.08641	0.2
169.10167	0.2
173.09587	0.6
175.09657	1.9
175.11125	0.2
177.11201	9.3
178.07819	0.1
179.08536	0.4
179.12852	0.2
181.06606	0.1
181.10130	0.7
183.10182	0.1
191.08661	0.1
191.10632	0.3
192.09320	0.2
193.10524	0.3
193.12306	0.2
194.11205	0.1
195.11848	0.1
197.09581	0.1
201.11253	0.2
203.08604	0.2
203.12773	0.1
205.10056	0.1
207.08044	0.3
207.11731	0.3
208.08765	0.1
209.09657	0.1
209.11554	0.2
209.13292	0.4
211.13324	0.1
218.10934	0.1
219.12221	0.5
221.09619	0.1
221.13815	1.3
222.10257	0.2
223.11166	1.0
223.15337	0.3
225.12721	5.7
227.12672	0.4
233.13136	0.1
235.14966	0.5
236.12035	0.1
237.12920	0.3
239.14725	0.5
249.12694	0.7
251.14284	15.5
252.14694	0.3
253.15906	3.8
265.16504	0.2
267.13828	0.6
267.17734	0.3
269.15347	1.1
271.15378	0.3
277.15842	0.1
283.17548	0.5
295.16898	0.5
297.18466	0.1
301.15976	0.1
302.14981	0.1
309.19055	0.2
311.16473	0.7
311.20361	0.1
312.15149	0.1
313.17981	1.0
315.17905	0.3
325.15588	0.2
327.17325	3.0
329.18958	14.3
330.19247	0.2
339.19449	0.2
345.75571	0.1
353.18414	0.6
353.22672	0.1
355.20413	0.6
357.20584	0.3
359.20731	0.2
371.19867	0.9
373.21597	3.8
375.21494	0.2
397.24399	0.1
399.22192	0.1
401.23254	0.1
415.22833	0.3
417.24124	0.2
419.24182	0.3
431.23798	0.3
433.25330	0.2
459.27316	0.1
461.27063	0.1
463.26672	0.1
477.27856	5.1
478.28168	0.1
554.75323	0.1
595.95673	0.1
628.97321	0.1
712.66486	0.1
747.72852	0.1
768.49854	0.1
903.52802	0.1
1007.59271	0.2
1111.64844	0.3
1128.67603	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1128.6821
Annotation	Unknow
Peak:m/z	Relative Intensity
78.04724	0.1
79.05484	6.4
80.05830	0.1
81.03423	0.2
87.04461	9.6
89.06022	37.8
90.06360	0.1
91.05469	3.6
91.07540	0.2
93.07020	0.2
95.04963	4.1
98.20667	0.2
103.05458	6.9
105.07018	100.0
106.07347	0.8
107.04986	0.2
107.07065	1.1
113.06000	0.5
115.05382	0.5
115.07583	0.4
116.06223	0.4
117.07019	0.6
117.09119	2.2
118.06487	0.1
119.04922	0.1
119.08555	0.8
119.14896	0.1
121.06491	2.7
126.56730	0.1
128.06226	0.4
129.06992	1.4
130.08620	0.9
131.07054	3.0
131.08551	6.9
132.05612	0.1
133.08589	27.1
133.10201	0.7
134.08936	0.2
135.08096	0.1
135.10143	0.3
141.06970	0.2
145.06482	0.4
147.08029	2.3
149.09612	0.9
151.09647	0.2
155.08517	0.1
157.08633	0.2
157.10136	0.3
159.10162	0.4
161.11685	0.7
161.12895	0.1
163.07579	0.1
163.11208	0.2
165.06909	0.5
165.09076	0.4
166.07773	0.4
167.08562	0.2
169.09998	0.2
173.09587	0.7
175.09660	2.2
175.11081	0.2
177.11203	8.9
178.07744	0.3
179.08566	0.3
179.12756	0.2
181.10139	0.7
183.10139	0.1
191.10683	0.3
192.09326	0.2
193.10452	0.2
193.12251	0.1
195.08043	0.1
195.12111	0.1
203.08569	0.2
203.12729	0.2
207.08145	0.1
207.11700	0.2
208.08914	0.2
209.09894	0.1
209.11688	0.4
209.13327	0.3
211.13359	0.1
218.10921	0.1
219.12192	0.6
221.09628	0.3
221.13786	1.6
222.10368	0.2
223.11127	1.1
223.15332	0.3
225.12712	6.3
227.12802	0.4
230.63045	0.1
235.14832	0.4
237.12735	0.2
239.14734	0.4
249.12727	0.7
251.14290	15.3
252.14763	0.3
253.15906	3.7
255.15927	0.1
265.16376	0.3
267.13797	0.7
267.17731	0.4
269.15311	1.1
271.15424	0.4
276.56064	0.1
277.15744	0.2
283.17450	0.6
295.16974	0.6
297.18494	0.2
301.15891	0.2
309.18964	0.2
311.16562	0.4
313.18039	0.9
315.17950	0.3
327.17279	2.7
329.18954	14.2
330.19339	0.3
339.19550	0.2
351.20358	0.1
353.18460	0.5
355.20279	0.5
357.20511	0.3
359.20633	0.1
371.19739	0.7
373.21576	3.8
375.21649	0.3
397.24075	0.1
401.23282	0.2
415.22476	0.3
417.24051	0.3
419.24210	0.3
431.23541	0.2
433.25244	0.2
461.26584	0.1
463.26563	0.2
467.09512	0.1
477.27847	5.4
478.28204	0.2
507.29858	0.2
567.32745	0.1
595.35614	0.1
710.21790	0.1
903.52606	0.2
998.21857	0.1
1007.58459	0.2
1111.64722	0.2
1128.68115	1.2
1168.47644	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	1122.8079
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05514	0.2
81.64371	0.2
82.06588	0.3
83.08626	0.2
84.08137	4.4
84.08604	0.3
85.10194	0.3
86.09695	5.3
87.04472	0.4
88.07648	0.2
89.06020	3.0
95.08623	0.2
96.08154	0.5
98.21482	0.4
100.07642	0.3
107.04977	0.2
107.20232	0.1
114.09159	4.4
114.09953	0.2
116.05581	0.1
118.29201	0.2
124.57076	0.2
127.40493	0.1
130.08649	0.2
133.08595	0.2
140.45454	0.2
202.14474	0.2
246.17101	0.3
252.26994	0.2
268.29996	1.9
282.31662	0.5
294.31528	4.9
295.31906	0.2
296.33112	7.3
297.33496	0.2
310.31436	0.2
310.46365	0.2
312.32874	0.4
356.35416	0.3
396.26251	0.2
400.38000	0.2
410.27869	0.2
454.30170	0.2
484.31418	0.2
488.43381	0.3
529.29840	0.2
532.46075	0.3
576.48297	2.1
620.50824	2.7
664.53577	3.7
708.56140	4.7
752.58838	3.2
796.61359	2.3
840.63690	1.1
1122.59375	6.2
1122.80713	100.0
1123.81128	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	112.0872
Annotation	histamine
Peak:m/z	Relative Intensity
54.03465	0.5
55.01867	0.5
55.05509	0.3
55.93521	0.3
56.05032	1.2
56.18470	0.2
56.96564	2.0
57.03413	0.2
57.04553	0.2
58.06583	0.6
58.22643	0.2
59.66071	0.2
64.27038	0.2
67.01865	0.4
67.04234	0.5
67.05496	0.7
68.01356	0.2
68.05022	10.4
69.03426	3.1
69.04553	0.4
69.07050	0.2
70.02949	2.6
70.06594	1.7
70.35580	0.4
70.35970	0.5
70.94246	2.7
70.95860	1.4
71.94093	2.8
71.95239	0.3
72.04524	0.3
73.05299	0.2
81.04536	0.5
82.05325	0.4
82.06567	0.2
83.06097	9.2
83.44500	0.2
84.04485	0.3
84.08137	2.3
85.07658	0.4
86.06065	0.5
88.95296	0.6
88.96890	0.4
94.06530	0.4
95.02459	1.2
95.06082	100.0
96.00852	1.9
96.04515	0.3
96.05820	0.3
96.06386	2.1
96.08092	0.3
97.06379	0.2
98.01243	0.3
100.02456	0.3
106.96305	0.2
112.03990	0.4
112.05090	2.9
112.07600	3.2
112.08723	10.1
112.09548	0.5
112.11226	1.9
113.02363	1.9
113.03477	4.0
113.06030	0.2
113.07124	0.5
113.09035	0.3
113.10777	0.3
118.03516	0.3
131.01964	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22942	0.4
52.18092	0.5
53.00284	0.4
53.03951	0.7
53.97594	0.3
54.03482	0.5
55.01865	0.9
55.05511	10.6
55.93529	0.6
56.05036	4.0
56.96563	2.8
57.03432	1.3
58.06590	2.4
67.01858	1.7
67.02993	0.4
67.05501	2.5
68.01389	0.9
68.05027	1.6
68.99792	0.5
69.03432	4.0
69.04539	0.8
69.07056	1.0
70.02952	26.4
70.06593	13.9
70.15747	1.4
70.94249	1.7
70.95856	1.3
71.94095	1.2
71.95247	0.6
72.04504	0.5
82.06568	1.0
83.06091	0.9
84.04502	0.8
84.08142	100.0
85.02878	0.4
85.08472	1.7
90.38904	0.4
90.46656	0.4
94.04050	0.8
95.01350	0.6
95.02446	5.5
95.04991	0.5
95.06078	2.3
95.08586	0.6
96.00858	16.9
96.04488	1.5
96.08157	0.8
97.26846	0.4
98.08480	0.6
98.21397	0.6
112.03993	2.9
112.05090	8.1
112.07615	6.4
112.08708	1.4
112.11241	85.6
113.00009	1.7
113.02362	6.8
113.03486	30.7
113.07146	0.8
113.10832	0.5
113.11578	1.6
131.01967	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1117.6278
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05517	0.2
80.57630	0.1
83.01093	1.0
89.06033	0.6
90.12225	0.1
91.05512	0.3
96.97366	0.1
97.02670	0.5
98.20706	0.1
105.07039	1.0
106.07376	0.4
110.03510	0.1
111.04189	3.8
112.04976	0.2
113.05777	0.2
117.40763	0.1
119.74534	0.1
125.05799	0.4
127.03662	2.4
127.04522	0.2
133.08604	0.3
139.07288	0.9
141.05206	1.1
144.03934	0.2
147.08127	0.2
148.08372	0.2
155.06776	4.4
155.08006	0.2
155.23607	0.1
169.08377	0.9
171.06276	2.6
171.07579	0.2
172.07094	0.2
183.09888	1.4
184.10825	0.2
185.07835	1.6
188.06664	0.3
199.09401	4.8
200.10249	0.2
201.07408	0.2
202.08202	0.4
213.10962	0.9
215.08884	2.0
216.09679	0.8
223.55240	0.1
225.12834	0.2
227.12506	1.2
229.10448	0.7
232.09268	0.4
243.12024	3.9
245.10123	0.4
246.10764	0.6
257.13553	1.2
259.11517	1.3
260.12326	0.2
261.09674	0.2
262.10367	0.3
271.15140	3.3
271.17969	0.2
273.13156	0.8
287.14633	4.2
301.16202	0.6
303.14130	1.2
315.17770	1.5
317.15918	0.3
331.17218	3.5
345.18823	0.2
347.16656	1.3
350.68500	0.1
359.20251	0.7
361.18628	0.2
375.19922	2.7
375.24380	0.2
391.19351	1.5
403.23212	0.5
419.22498	3.6
435.22073	1.8
447.25644	0.2
463.25156	2.5
463.31241	0.2
464.25748	0.2
479.24567	1.7
491.28632	0.4
507.27679	3.9
512.31818	0.1
523.27264	1.8
523.34369	0.2
535.31055	0.2
551.30267	2.2
567.29779	2.1
595.32996	4.2
611.32404	2.7
639.35669	1.4
655.35138	2.1
683.38177	3.8
683.49335	0.2
699.37817	2.8
727.40820	1.2
743.40253	2.0
744.41595	0.2
757.54523	0.1
771.43335	3.4
787.42926	2.9
788.42719	0.2
815.46271	0.9
921.51904	0.2
1013.55786	0.2
1033.79736	0.2
1117.62683	100.0
1118.62463	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	1117.628
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01112	0.5
84.78065	0.1
87.04462	0.2
89.06017	0.7
90.06376	0.2
91.05503	0.2
105.07027	0.8
106.07409	0.2
111.04189	2.5
111.04865	0.2
125.05717	0.1
127.03651	1.5
133.08626	0.4
139.07297	0.6
141.05202	0.7
147.08084	0.3
155.06778	2.6
169.08406	0.4
171.06255	1.4
172.07117	0.3
177.11375	0.1
183.09883	0.7
185.07863	1.0
188.06651	0.2
199.09398	2.7
213.11101	0.5
215.08940	1.4
216.09723	0.5
225.12851	0.3
226.13124	0.2
227.12506	0.6
229.10524	0.4
232.09325	0.4
243.12024	2.3
246.10912	0.3
257.13614	0.6
259.11548	0.7
271.15131	1.8
271.17950	0.1
273.13223	0.5
275.10898	0.1
287.14624	2.7
287.17566	0.2
289.12729	0.2
296.18375	0.1
301.16324	0.5
303.14252	0.7
315.17719	0.8
331.17209	2.1
347.16708	0.6
359.20648	0.4
375.19861	1.8
391.19431	0.9
403.23291	0.2
419.22488	2.0
435.21997	0.9
463.25070	1.6
479.24506	0.9
491.29166	0.1
507.27652	2.3
511.97879	0.1
523.27173	1.0
551.30170	1.1
567.29767	1.1
567.37219	0.1
579.33234	0.2
595.32886	2.1
595.41644	0.2
611.32355	1.7
636.32471	0.1
639.35687	0.8
655.35022	1.2
683.38037	1.9
683.47772	0.2
699.37665	1.5
699.47913	0.2
727.40991	0.7
743.40143	1.4
771.43182	2.0
771.54889	0.2
787.42950	2.0
794.93707	0.2
815.46411	0.5
1117.62646	100.0
1118.62683	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	1112.6722
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03896	1.3
78.04705	0.2
79.05482	8.2
81.03417	0.3
81.07053	0.2
85.18088	0.2
87.04459	18.3
88.28070	0.2
89.06020	63.9
91.05469	17.4
91.07602	0.4
93.07040	1.7
95.04955	5.7
95.05544	0.3
102.04713	0.2
103.05457	10.7
104.06223	0.3
105.07017	100.0
106.07342	0.5
107.04943	3.2
107.05606	0.2
107.07054	2.8
107.08591	0.2
113.06007	1.5
114.84742	0.1
115.05415	1.4
115.07574	1.1
116.06200	1.1
117.07001	3.3
117.09119	4.7
118.06528	0.2
119.04943	1.5
119.08566	7.8
121.06491	12.1
127.05415	0.4
128.06201	3.5
128.07106	0.3
129.06990	5.2
130.08627	2.4
131.04898	0.4
131.06001	0.2
131.07019	6.1
131.08553	10.9
132.05687	1.7
133.08586	48.0
133.10184	1.4
135.08064	0.8
135.10152	0.4
141.07005	0.2
143.08540	0.2
144.05692	0.2
145.06456	2.1
145.10106	0.4
147.08028	56.7
148.08357	0.4
149.09598	11.8
151.09637	0.4
153.06923	0.3
155.05998	0.4
155.08517	0.3
157.08601	0.6
157.10091	0.4
158.07190	0.2
159.08092	0.3
159.10133	0.8
161.09612	0.3
161.11687	1.4
163.07547	0.3
163.11147	0.6
165.06990	0.7
165.09045	0.7
166.07758	0.8
168.44398	0.1
171.08034	0.2
173.09584	1.5
175.09668	3.9
175.11157	0.7
177.11201	16.8
178.07742	0.5
179.08510	0.6
179.12781	0.2
181.10101	2.5
189.09099	0.2
191.10664	1.2
192.09256	0.5
193.10490	0.5
193.12286	0.4
194.07236	0.2
195.12012	0.2
199.11134	0.2
203.08496	0.1
203.12729	0.3
205.10132	0.3
207.08009	0.4
207.11694	0.5
208.08826	1.0
209.09586	0.4
209.11656	0.4
209.13301	0.5
217.12178	0.3
219.07922	0.1
219.12227	1.4
221.09521	0.5
221.11688	0.2
221.13799	2.2
222.10335	0.5
223.11151	3.3
223.15233	0.6
225.12709	31.4
226.13020	0.3
227.12747	0.6
233.13380	0.2
234.10326	0.4
235.11143	0.2
235.14813	0.4
237.12680	0.6
239.14832	0.6
249.12733	6.2
251.14319	4.2
253.16170	0.2
255.15846	0.4
263.14822	0.2
265.16293	0.3
267.13794	1.1
267.17999	0.3
269.15317	1.9
271.15408	0.5
277.15775	0.3
279.15775	0.3
283.17468	1.0
295.17151	0.6
299.18445	0.4
309.18988	0.2
311.16406	1.3
313.17902	1.4
315.17883	0.4
327.17117	1.5
327.19916	0.2
327.24146	0.1
329.18973	1.3
339.19238	0.2
341.19507	0.2
353.21838	0.4
355.20190	0.5
359.87262	0.1
373.21582	8.8
397.24362	0.3
399.22882	0.2
401.23337	0.3
415.22195	0.3
417.24466	0.2
419.24002	0.2
426.83701	0.1
445.26135	0.2
688.14972	0.1
728.45636	0.1
885.79175	0.1
893.62421	0.2
945.99097	0.2
1095.62524	0.6
1112.67078	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	1112.6724
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03903	1.2
79.05485	8.6
81.03410	0.2
87.04460	16.9
89.06022	59.6
91.05470	18.7
91.06067	0.4
91.07639	0.4
93.07039	2.2
95.04961	6.1
97.06508	0.3
97.34060	0.2
98.20744	0.7
103.05459	11.0
104.06222	0.4
105.07018	100.0
106.07349	0.4
107.04943	3.2
107.07053	1.8
110.47378	0.2
113.05986	1.4
115.05431	1.5
115.07561	0.8
116.06207	1.3
117.06989	3.1
117.09125	3.8
119.04932	1.5
119.07931	0.2
119.08566	7.5
121.06491	12.6
128.06203	3.3
129.06996	4.6
130.08607	1.5
131.04953	0.2
131.07051	5.0
131.08546	11.6
132.05699	2.2
133.06532	1.1
133.08586	40.8
133.10187	1.3
135.08060	0.8
135.10143	0.3
143.08525	0.3
145.06464	1.8
147.08029	57.1
148.08379	0.2
148.83865	0.2
149.09598	8.9
151.09636	0.3
151.91026	0.2
153.06993	0.2
154.62230	0.2
155.06015	0.5
157.08652	0.3
157.10147	0.3
159.10188	0.9
161.11699	1.0
163.07570	0.5
163.11185	0.4
165.06978	0.8
165.09105	0.8
166.07756	0.8
171.08023	0.2
173.09621	1.2
175.09692	3.4
175.11180	0.5
177.11206	13.7
178.07794	0.5
179.08549	0.9
181.10117	2.1
191.08691	0.3
191.10648	0.8
192.09305	0.4
193.10515	0.4
193.12299	0.6
194.07253	0.3
201.11269	0.3
203.08527	0.3
207.08080	0.3
207.11736	0.4
208.08807	1.0
209.09627	0.3
209.11560	0.3
209.13356	0.3
219.12260	0.9
221.09509	0.3
221.13824	2.0
222.10278	0.5
223.11154	2.4
223.15218	0.4
225.12718	26.4
227.12758	0.3
230.01471	0.3
235.11140	0.3
237.12894	0.8
239.14859	0.6
249.12708	3.5
251.14299	4.5
255.15785	0.3
265.16354	0.6
267.13797	1.3
267.18091	0.3
269.15421	1.9
271.15543	0.4
283.17453	1.0
295.16794	0.7
299.18481	0.3
309.18835	0.4
311.16522	1.0
311.20026	0.2
311.72989	0.2
313.17953	1.0
315.18109	0.3
327.17316	0.8
327.20590	0.4
329.19025	1.0
355.19592	0.3
373.21573	8.5
384.10321	0.2
403.23782	0.3
415.22479	0.3
415.69644	0.2
417.23935	0.4
445.25366	0.3
1072.93018	0.3
1095.63306	0.6
1112.67554	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	1111.6554
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03915	0.8
79.05488	6.1
80.33902	0.1
81.02969	0.1
81.03389	0.2
84.48073	0.1
84.60413	0.1
87.04462	10.9
89.06024	39.6
90.06330	0.2
91.05473	4.5
91.07561	0.2
93.07033	0.5
95.04964	3.1
98.20744	0.4
103.05464	6.4
105.07021	100.0
106.07367	1.2
107.05011	0.1
107.07059	1.1
113.06000	0.7
115.05444	0.5
115.07555	0.4
116.06211	0.4
117.06994	0.5
117.09126	2.7
119.08556	0.6
121.06491	2.7
128.06204	0.4
129.06989	1.8
130.08653	0.7
131.07063	2.9
131.08553	8.0
133.08591	25.5
133.10194	0.8
134.08923	0.2
135.10158	0.3
141.06972	0.1
145.06461	0.4
147.08037	2.5
149.09581	0.8
152.30203	0.1
154.67722	0.1
155.08511	0.2
157.08603	0.3
157.10141	0.1
159.10170	0.3
161.11691	0.5
165.06966	0.2
165.09076	0.3
166.07719	0.3
169.10133	0.2
170.37453	0.1
173.09605	0.5
175.09648	1.4
175.11028	0.2
177.11206	6.6
178.07793	0.1
179.08554	0.3
181.10112	0.8
191.10626	0.3
192.09348	0.3
193.10332	0.2
193.12251	0.3
203.08542	0.2
206.10938	0.2
207.11729	0.3
208.08745	0.2
209.09729	0.2
209.11609	0.3
209.13268	0.3
219.12250	0.4
221.09610	0.3
221.13771	0.8
222.10400	0.2
223.11174	1.0
225.12724	5.9
227.12773	0.5
230.19322	0.2
234.10316	0.2
235.14819	0.5
237.12766	0.2
239.14671	0.3
249.12752	0.8
251.14296	16.7
252.14546	0.3
253.15898	3.7
265.16553	0.1
267.13937	0.6
267.17679	0.4
269.15320	0.9
271.15271	0.4
277.15900	0.2
283.17480	0.3
295.16830	0.6
311.16452	0.6
311.20587	0.1
313.17850	0.5
315.17917	0.3
322.36041	0.1
327.17361	2.3
329.18967	13.8
330.19263	0.5
339.19476	0.1
353.18851	0.8
355.20264	0.6
357.20541	0.1
371.19907	0.7
373.21573	2.7
374.21912	0.1
415.22351	0.2
431.23798	0.2
433.25323	0.2
463.26855	0.1
477.21109	0.2
477.27856	3.3
547.55511	0.1
900.34155	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	1111.6558
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03892	0.9
79.05485	6.0
82.40259	0.2
87.04459	11.0
89.06021	38.9
91.05466	4.3
91.07571	0.2
93.07042	0.3
95.04961	3.6
102.95243	0.1
103.05457	6.2
105.07018	100.0
106.07344	0.7
107.04954	0.3
107.07047	1.2
113.06017	0.8
115.05418	0.3
115.07560	0.3
116.06209	0.4
117.06999	0.6
117.09121	2.4
119.04949	0.4
119.08550	0.8
121.06494	2.5
128.06216	0.4
129.06998	1.3
129.42915	0.1
130.08633	0.8
131.07059	3.3
131.08553	7.4
133.08586	27.0
133.10185	0.8
135.08066	0.2
141.06926	0.2
145.06500	0.5
147.08034	2.4
149.09607	0.8
149.74661	0.1
157.08682	0.2
159.10188	0.4
161.11760	0.6
165.06978	0.5
165.09099	0.4
166.07784	0.5
169.10181	0.3
173.09616	0.6
175.09671	2.1
175.11081	0.2
177.11205	7.1
178.07751	0.3
179.08543	0.4
179.12888	0.2
181.10075	0.7
183.09999	0.1
191.10600	0.3
192.09308	0.2
193.10490	0.2
203.08534	0.1
205.09990	0.2
207.11694	0.2
208.08693	0.2
209.11523	0.2
209.13339	0.3
219.12178	0.4
221.09590	0.3
221.13814	1.0
222.10229	0.2
223.11217	1.2
223.15318	0.2
225.12703	5.9
227.12709	0.3
230.16763	0.2
235.14825	0.5
237.12578	0.2
239.14668	0.3
247.11203	0.2
249.12679	0.8
251.14281	14.9
253.15877	4.6
265.16061	0.2
267.13760	0.4
267.17520	0.3
269.15332	1.2
271.15411	0.5
283.17447	0.3
295.16837	0.6
311.16327	0.6
313.18140	0.7
315.17859	0.4
327.17371	3.2
329.18951	14.9
330.19363	0.2
339.19376	0.2
353.18869	0.9
355.20416	0.3
359.20874	0.2
371.19962	0.9
373.21631	3.1
375.21375	0.2
401.23337	0.2
415.22675	0.2
464.34103	0.2
477.27875	2.9
636.89600	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1111.6179
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05489	36.0
81.07052	87.2
83.04968	1.5
83.08614	15.3
85.02895	13.2
85.06515	2.3
85.10176	2.2
91.03962	10.6
91.05473	24.9
93.06473	2.1
93.07040	40.3
95.04957	5.1
95.08602	82.3
95.57272	1.0
97.02885	6.8
97.06514	7.3
97.10159	10.8
98.98460	45.2
99.04463	2.0
99.08097	3.9
105.07024	16.7
107.08587	29.2
109.06505	2.1
109.10152	39.3
111.08084	4.9
111.11706	3.5
113.09646	2.8
116.99454	1.9
117.07009	3.8
119.08577	18.8
121.09319	2.1
121.10137	32.1
123.08102	1.3
123.11688	21.2
125.09632	1.4
127.03907	5.0
127.11184	1.3
129.05499	1.3
131.08545	9.5
133.10118	23.8
135.11688	21.7
137.09615	2.0
137.13251	9.2
141.12709	2.5
145.04941	7.7
145.10124	6.7
147.11679	14.4
149.13252	16.4
151.11131	1.9
151.14792	5.7
153.12749	1.3
154.99876	1.7
155.01048	18.9
155.14291	2.8
159.11652	5.8
161.13264	15.5
163.05980	10.6
163.14810	17.7
165.12709	2.0
165.16393	7.9
173.02087	8.8
173.13255	6.9
175.14798	10.0
177.16377	5.6
179.14330	2.1
179.17940	8.1
187.14777	3.4
189.16377	6.1
191.14326	1.1
203.17894	1.6
217.19417	2.5
219.20981	1.6
223.49750	1.0
233.22694	2.7
243.21086	20.3
245.22636	68.3
249.14954	1.0
261.22147	45.7
263.23685	100.0
264.23889	2.0
265.25296	3.0
281.24771	3.5
293.01385	1.1
305.25204	1.1
317.24594	3.1
335.25769	58.4
336.26212	1.9
337.27359	57.2
347.00967	1.1
355.28278	10.8
415.22479	8.4
433.23297	2.3
438.28412	1.2
473.73969	1.2
499.32651	4.1
534.28741	1.0
598.99255	1.0
652.64429	1.1
661.38385	1.3
938.93744	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1111.6181
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03862	0.7
79.05493	27.0
81.03405	1.0
81.07056	71.7
83.04959	0.9
83.08620	11.2
85.02900	7.7
85.06525	1.8
85.10176	1.8
91.03955	6.6
91.05482	18.3
93.05524	0.6
93.07043	31.8
95.04974	4.0
95.08607	59.4
97.02884	5.6
97.06545	3.9
97.10174	6.9
98.98467	28.1
99.08084	2.9
103.05452	0.7
105.06391	1.1
105.07037	13.6
107.08598	20.6
109.02881	0.9
109.06516	1.1
109.10159	29.8
111.08076	2.2
111.11713	2.3
113.09621	2.0
116.99523	1.3
117.07012	3.0
119.08585	13.0
121.10143	21.9
123.08066	1.3
123.11709	12.9
125.09636	1.2
125.13281	0.7
127.03904	3.2
127.11182	1.3
129.05487	1.0
131.08559	5.2
133.09134	0.6
133.10133	12.9
135.11694	12.9
137.09618	2.1
137.13254	6.1
139.11154	1.4
141.12727	1.6
145.04959	4.0
145.10139	4.8
147.11700	9.5
149.09630	1.1
149.13258	11.8
151.11197	2.0
151.14854	5.0
153.12817	1.0
155.01064	5.4
155.14270	1.6
159.11716	3.7
161.13263	12.7
163.06023	5.4
163.11176	0.8
163.14822	8.5
165.12770	1.1
165.16388	5.1
167.14308	1.0
169.15958	0.6
173.02113	5.0
173.13278	3.8
175.14807	7.7
177.16379	2.3
179.14278	1.3
179.17963	4.1
183.06544	0.9
187.14792	2.1
189.16389	2.9
201.07616	0.8
203.17943	0.9
207.17325	1.0
217.19478	1.1
233.22664	1.7
243.21080	8.3
245.22650	38.5
246.22829	0.6
259.20898	0.9
261.22150	22.6
263.23703	61.5
264.24075	1.0
265.25159	1.2
281.24738	1.7
299.23825	0.6
317.24722	3.6
335.25803	100.0
336.25989	1.6
337.27368	52.9
338.27777	0.7
355.28339	9.6
371.25476	0.7
415.22574	1.6
433.23514	1.8
445.29745	1.0
458.49194	0.6
463.30713	0.7
481.31372	1.9
497.30984	2.0
499.32663	11.8
564.66681	0.7
661.37842	1.6
839.21460	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	1.7
53.03946	19.5
54.03477	2.0
55.01868	16.7
55.05506	50.4
56.05028	10.5
56.96561	100.0
57.03431	3.8
58.99856	3.1
59.52182	3.4
60.95848	2.3
61.02915	1.9
64.04621	1.4
64.97958	1.4
65.02442	1.2
65.03939	11.6
65.52181	2.7
67.05491	6.8
68.02621	4.3
68.05021	16.0
68.52713	2.8
68.99818	1.8
69.03420	28.1
69.04545	3.8
69.07063	5.4
70.02937	4.1
70.06584	30.4
70.94257	6.2
70.98125	1.4
71.01370	1.8
71.02967	8.4
71.04989	4.8
71.59213	1.8
71.59600	2.0
71.95257	11.2
74.97591	1.9
75.53496	1.5
77.00883	4.1
78.52976	1.5
79.51926	4.1
80.03526	1.3
81.03408	38.1
81.04527	14.6
82.01434	5.6
82.03761	3.5
82.05319	40.7
82.06570	3.1
82.95986	1.4
83.00788	2.0
83.04976	34.3
83.06093	42.8
84.04490	8.1
84.06399	1.8
84.08145	7.9
85.02916	2.3
85.47449	1.5
85.53722	4.0
88.00494	5.2
88.95277	2.1
91.05475	2.3
92.01311	2.7
93.03394	2.1
93.04552	2.0
93.07050	4.5
94.02913	4.3
94.04038	2.1
94.06567	4.5
94.54256	4.5
95.01322	4.1
95.01913	3.0
95.02470	5.4
95.04982	1.7
95.06076	36.9
96.01552	1.6
96.02110	3.8
96.06865	3.1
96.51630	1.6
97.01000	11.2
97.02908	2.1
98.00775	2.0
99.53458	5.0
100.02471	83.0
101.02547	11.1
102.02238	5.4
103.02451	2.2
106.01542	2.0
107.00151	2.1
110.97535	3.2
111.00786	2.2
111.04436	71.8
111.05563	45.3
111.06400	4.8
111.07449	1.7
111.08083	5.9
111.09202	33.2
112.03966	7.1
112.05096	20.3
112.05925	1.6
112.06273	1.9
112.07593	32.9
112.08395	2.0
112.08749	3.1
115.01185	1.9
115.96453	4.6
116.97208	3.0
116.98594	2.6
118.03511	85.0
119.01913	7.0
119.03572	10.4
120.03273	6.3
121.03482	3.4
122.07130	4.6
123.04028	2.7
124.02713	1.4
128.98598	7.6
129.03944	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1106.8135
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05461	0.2
82.06558	0.2
84.08139	4.0
84.08610	0.3
85.10181	0.3
86.09701	5.4
87.04475	0.3
88.07635	0.3
89.06024	2.9
96.08163	0.5
100.07626	0.2
100.08654	0.2
105.07066	0.3
114.09161	4.4
133.08656	0.3
158.11743	0.2
202.14510	0.3
246.17162	0.3
252.95015	0.2
296.33109	1.3
310.34808	0.6
322.34668	4.7
324.36215	6.5
325.36411	0.2
337.68469	0.2
340.35870	0.4
351.11523	0.2
384.38742	0.3
413.69638	0.2
421.01202	0.2
498.32016	0.2
516.46417	0.7
560.49109	0.7
604.51215	2.4
648.54016	3.5
660.14838	0.2
692.56622	3.9
693.57092	0.2
736.59259	3.8
780.61688	2.6
824.64545	1.6
912.69751	0.3
953.90686	0.2
1077.45264	0.2
1106.81311	100.0
1107.81116	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	111.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53721	1.6
53.03943	30.4
54.04268	2.3
55.01863	12.4
55.05504	39.0
55.93510	1.9
56.05033	8.3
56.96563	90.2
57.03410	2.1
57.05388	1.7
58.96170	1.7
58.99865	2.3
59.52191	2.5
65.03932	9.7
65.52206	2.1
66.33971	1.6
67.05499	7.3
68.02625	2.9
68.05026	17.4
68.99782	2.6
69.03423	24.1
69.04556	3.6
69.07043	3.8
70.06588	33.6
70.94251	29.8
70.95860	7.7
71.01347	3.0
71.02967	4.3
71.04977	3.9
71.58581	2.4
71.95260	9.5
74.52709	2.9
77.00911	3.3
81.03413	49.4
81.04539	6.3
81.35416	1.6
82.01443	9.8
82.03064	1.7
82.03733	3.9
82.05318	54.3
82.06568	2.0
83.04984	27.3
83.06092	54.2
84.01559	3.4
84.04517	5.8
84.06432	2.7
84.08132	8.4
85.02891	2.8
85.53734	7.5
88.00461	12.0
88.52405	2.2
88.95286	8.4
88.96905	3.0
89.00230	4.5
89.53649	1.7
91.05509	2.7
93.03414	2.2
93.04555	2.2
93.07024	3.9
94.02916	5.4
94.06554	4.7
94.54233	5.6
95.01357	3.7
95.02456	5.1
95.04964	3.6
95.06078	26.3
96.02097	3.5
97.00997	18.9
99.53448	2.4
100.02474	100.0
101.02542	12.0
102.02246	7.9
103.02425	3.6
106.96336	3.7
107.00172	1.8
111.00798	3.9
111.04436	70.7
111.05563	58.2
111.06297	3.2
111.08056	8.5
111.09189	32.0
112.03995	8.9
112.05087	19.3
112.06255	2.4
112.07600	25.4
112.08748	3.9
115.96445	10.2
116.97241	4.2
116.98590	2.3
118.03514	96.4
119.01920	4.2
119.03601	10.5
120.03267	7.3
121.03492	3.4
122.07136	2.9
123.04079	4.0
128.98608	8.1
129.03976	17.7
129.98009	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	1100.6669
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03923	0.6
79.05485	5.6
87.04464	6.7
89.06026	29.1
91.05472	4.0
92.53477	0.4
94.04108	0.4
95.04967	3.8
103.05454	5.4
105.07022	100.0
106.07359	1.3
107.07047	1.3
115.05447	0.8
117.07024	1.3
117.09129	1.6
119.08463	0.5
121.06491	1.2
121.16914	0.4
129.07002	1.3
130.08650	0.9
131.07100	2.1
131.08551	9.1
133.08589	22.5
133.10182	1.0
133.90067	0.4
147.08051	1.3
149.05986	0.9
149.09549	0.5
157.10158	0.7
161.11742	0.5
165.06940	0.9
166.07892	0.4
167.08578	0.6
175.09700	1.3
177.11230	7.7
178.07843	0.7
179.08595	1.0
180.09309	0.5
181.10120	1.2
193.10278	0.4
194.10944	2.2
207.11641	0.6
209.13237	14.9
219.12210	0.9
221.13808	1.1
223.11299	0.4
225.12704	3.2
235.14848	2.2
237.12694	1.2
251.14340	4.5
253.16016	0.6
269.15308	0.8
277.15805	0.5
298.07471	0.4
313.18179	0.4
315.17615	1.6
329.18979	3.3
355.20444	2.9
373.21661	1.5
431.23801	0.8
433.25095	3.0
477.27878	2.1
581.34161	1.9
828.81281	0.5
875.49127	0.5
1100.65637	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.9993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93510	37.5
58.99533	25.2
65.03928	28.3
69.07053	100.0
70.95855	87.5
75.02347	97.1
77.42641	25.6
88.96898	46.2
97.01012	58.8
98.21453	47.8
111.04452	51.8
111.05607	31.3
115.96455	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73353	0.7
53.03945	5.7
54.03475	1.0
54.04283	8.2
54.56061	0.7
55.01873	2.6
55.05506	5.6
55.93249	0.7
56.05035	26.1
56.96563	63.4
57.03435	5.2
61.02914	2.9
65.03930	3.8
66.03456	0.8
67.04235	2.4
67.05499	1.6
68.00291	0.9
68.02645	1.5
68.05028	3.8
68.05824	1.4
68.98298	1.5
68.99795	0.6
69.03431	3.1
69.04541	1.8
70.06586	0.6
70.88129	1.6
71.95256	5.2
73.02915	3.6
73.57942	0.7
74.97601	1.3
75.01035	1.5
76.06725	0.6
77.00785	6.3
79.01881	0.8
80.05016	1.9
80.20532	0.6
81.03414	5.9
81.04534	9.9
82.01420	1.0
82.03744	11.7
82.05318	12.4
82.06583	5.7
82.07362	0.9
83.00794	3.5
83.05033	6.0
83.06101	100.0
84.01575	2.1
84.96021	2.5
85.02911	2.7
86.01299	3.7
86.99326	2.4
89.00771	1.1
90.01558	1.1
92.01297	2.2
92.05012	1.2
93.04528	62.0
93.07043	0.7
96.01534	1.0
96.02101	0.7
97.02882	2.0
98.01266	1.7
98.97584	13.5
100.02474	6.3
104.01299	0.7
105.00379	6.4
105.02068	0.8
110.03168	3.6
110.06047	28.9
110.07170	62.0
110.09702	1.2
110.97577	2.4
111.04436	7.6
111.05570	6.0
111.09212	1.1
116.98615	10.6
118.03536	4.2
119.01872	1.8
121.03386	0.8
123.01405	2.3
128.98608	7.3
129.03987	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.0716
Annotation	Brunfelsamidine
Peak:m/z	Relative Intensity
53.03938	0.8
54.03465	0.9
54.04268	2.2
55.05510	3.3
56.05036	28.2
56.96568	9.9
57.03435	0.9
61.02929	0.8
62.40730	0.7
65.03952	0.8
67.05520	0.7
68.05020	2.4
69.03432	0.8
69.04550	1.2
69.62637	4.6
70.06596	2.3
77.00772	0.9
81.03426	1.8
81.04536	10.1
82.03745	2.5
82.05322	7.5
82.06570	3.0
83.05058	4.4
83.06104	100.0
83.75479	0.6
84.06427	1.1
92.01351	0.8
93.04527	60.1
94.04876	0.8
98.97576	2.6
110.03196	0.8
110.06049	13.3
110.07162	62.9
110.09624	1.3
111.04446	1.9
111.05571	2.2
111.09211	2.2
111.09924	0.7
116.98592	1.5
120.56877	0.7
127.53111	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44944	2.1
56.05037	31.0
66.88119	1.9
70.59728	4.0
81.04527	6.0
82.05305	6.1
83.06103	100.0
84.06434	2.0
93.04529	62.1
98.13072	2.5
110.07168	68.7
125.41878	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	1095.645
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03907	1.1
79.05487	7.1
81.03408	0.6
87.04460	23.4
89.06022	71.7
90.06355	0.6
91.05470	16.7
91.07605	0.4
93.07057	1.7
95.04960	5.3
103.05458	9.6
104.06276	0.3
105.07021	100.0
106.07363	1.2
107.04952	3.3
107.07050	2.9
113.05982	1.7
115.05435	1.5
115.07557	0.7
116.06250	1.0
117.06991	3.1
117.09122	4.7
118.41010	0.2
119.04932	1.3
119.08566	7.7
119.09423	0.4
121.06494	12.3
122.06791	0.3
124.86227	0.2
128.06219	3.5
129.07001	6.4
129.98927	0.2
130.08629	2.6
131.04942	0.6
131.07030	6.3
131.08560	11.3
132.05707	1.5
133.06551	1.2
133.08591	48.9
133.10191	1.8
134.08963	0.3
134.76164	0.2
135.08070	1.0
135.10149	0.6
143.08537	0.3
145.06461	2.1
145.10129	0.3
147.08031	60.1
148.08362	0.7
149.09605	13.5
151.09637	0.4
155.06050	0.3
155.08527	0.4
157.08658	0.5
157.10106	0.4
159.08032	0.3
159.10172	0.7
161.11697	1.0
163.07513	0.6
163.11197	0.8
163.46004	0.2
165.06976	0.6
165.09102	0.7
166.07735	1.0
167.08426	0.3
171.08002	0.4
173.09656	1.8
175.09653	3.7
175.11197	0.8
176.28247	0.2
177.11211	12.1
178.07780	0.6
179.08568	0.8
180.09242	0.3
181.10118	2.9
189.09103	0.3
191.10634	1.0
192.09361	0.6
193.10423	0.3
193.12238	0.5
195.11711	0.4
207.08224	0.3
207.11716	0.5
208.08861	1.4
209.09727	0.4
209.11543	0.4
209.13344	0.4
219.12297	0.8
220.08626	0.2
221.09576	0.5
221.13821	1.7
222.10327	0.7
223.11160	3.4
223.15134	0.4
225.12717	31.3
226.13048	0.8
227.12733	0.3
234.10429	0.4
235.14902	0.4
237.12755	0.7
239.14830	0.7
249.10153	0.4
249.12724	6.7
251.14310	4.2
253.16136	0.2
267.13773	1.2
267.18008	0.3
269.15329	1.6
271.15451	0.4
279.15945	0.3
283.17676	0.3
295.16885	0.8
299.18402	0.5
311.16595	1.0
311.19745	0.3
313.18021	1.0
315.17801	0.5
327.17038	1.1
329.18896	1.0
341.19461	0.2
355.20102	0.3
373.21579	6.0
373.91754	0.2
374.21918	0.3
415.22791	0.3
524.19568	0.2
562.91412	0.3
716.62579	0.3
1095.76428	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1095.6459
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03889	0.8
79.00925	0.1
79.05484	5.7
81.03422	0.2
87.04458	14.2
89.06020	40.3
90.06337	0.2
91.05469	4.9
91.07616	0.2
93.07043	0.8
95.04962	4.0
98.20886	0.2
103.05458	6.7
105.07018	100.0
106.07355	1.0
107.04934	0.4
107.07056	1.6
113.05994	0.8
115.05469	0.6
115.07568	0.5
116.06200	0.6
117.06985	1.0
117.09126	2.6
119.04926	0.5
119.08567	1.3
121.06493	5.5
128.06149	0.6
129.06995	1.7
130.08624	1.7
131.07022	3.7
131.08556	6.4
132.05717	0.2
133.08588	26.0
133.10190	0.8
134.08940	0.2
135.08099	0.3
135.10083	0.1
143.08557	0.2
145.06476	0.6
145.10072	0.2
147.08031	4.9
147.09219	0.3
149.09604	1.4
151.09579	0.2
153.07094	0.1
155.08577	0.2
157.08630	0.3
157.10042	0.2
159.10126	0.3
161.11684	0.6
163.07501	0.2
163.11121	0.2
165.06964	0.8
165.09094	0.8
166.07739	0.5
167.08525	0.2
169.10074	0.6
173.09615	0.3
175.09677	1.9
175.11160	0.3
177.11200	6.9
178.07782	0.2
179.08540	0.4
179.12769	0.1
181.10063	0.2
183.10188	0.2
191.08624	0.3
191.10623	0.5
192.09308	0.7
193.10738	0.2
193.12248	0.6
195.08113	0.2
196.08769	0.2
197.09589	0.2
207.11775	0.3
208.08772	0.2
209.11674	0.5
209.13382	0.2
219.12244	0.6
221.13814	0.9
223.11154	1.7
225.12709	15.6
226.13066	0.2
227.12709	0.4
235.13023	0.2
235.15031	0.2
236.11938	0.2
239.14597	0.4
249.12779	0.8
251.11938	0.2
251.14304	2.9
253.14055	0.2
253.16197	0.2
255.15831	0.3
267.13748	0.8
267.17441	0.2
269.15332	2.3
271.15289	0.3
277.15765	0.2
283.17557	0.2
295.16946	1.0
297.18158	0.1
299.18436	0.1
301.15744	0.1
311.16284	0.5
313.18094	0.7
327.17261	1.2
329.18924	1.0
339.19366	0.1
353.18597	0.2
355.20230	0.2
373.21567	6.7
401.23529	0.2
415.22339	0.2
417.23953	0.2
1101.50171	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	1095.6463
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03500	0.1
77.03902	0.7
79.05483	6.0
81.03422	0.2
87.04459	14.2
89.06020	41.0
90.06360	0.2
90.48502	0.1
91.05466	4.3
91.07555	0.1
93.07046	0.6
95.04961	3.9
97.28985	0.1
98.20688	0.2
103.05457	6.3
105.07018	100.0
106.07359	0.8
107.04972	0.5
107.07053	1.7
113.05989	1.1
115.05436	0.4
115.07577	0.5
116.06232	0.4
117.06983	0.8
117.09119	2.7
119.04948	0.6
119.08552	1.0
121.06493	5.3
128.06189	0.5
129.07002	1.7
130.08609	1.6
131.04907	0.1
131.07013	3.4
131.08545	6.2
132.05663	0.1
133.08586	26.8
133.10181	0.8
134.08879	0.3
135.08020	0.4
135.10066	0.2
139.07581	0.1
141.06927	0.2
145.06483	0.7
145.10120	0.1
145.86028	0.1
147.08029	4.6
149.09604	1.5
151.09612	0.3
155.08507	0.3
157.08546	0.2
157.10092	0.2
159.10121	0.4
161.09653	0.1
161.11691	0.6
163.07552	0.2
163.11150	0.3
165.07024	0.7
165.09081	0.9
166.07761	0.7
167.08589	0.2
168.74286	0.1
169.10107	0.4
171.35483	0.1
173.09552	0.4
175.09669	2.0
175.11162	0.3
177.11200	6.9
178.07823	0.1
179.08527	0.2
179.12746	0.2
181.10077	0.2
183.10158	0.2
191.08548	0.3
191.10603	0.6
192.09274	0.5
193.10605	0.2
193.12248	0.4
195.08128	0.2
197.09673	0.2
207.08121	0.1
207.11618	0.3
208.08804	0.2
209.09752	0.1
209.11497	0.5
209.13295	0.4
211.13231	0.2
219.07759	0.1
219.12195	0.4
221.13762	0.8
223.11163	1.9
223.15273	0.2
225.12712	17.1
226.13083	0.2
227.12743	0.3
230.13419	0.1
235.13162	0.3
235.15080	0.2
236.11830	0.2
237.12877	0.2
239.14613	0.5
246.55173	0.1
249.12720	0.8
251.14302	2.9
253.15805	0.5
255.15903	0.2
267.13791	0.9
267.17667	0.3
269.15332	2.1
271.15329	0.4
277.15814	0.2
279.15878	0.1
283.17349	0.3
293.15344	0.1
295.16919	0.9
297.18320	0.3
299.18515	0.2
301.15634	0.2
311.16492	0.6
311.19763	0.1
313.18002	0.7
315.17947	0.2
327.17334	1.4
329.19003	0.9
339.19495	0.2
353.18723	0.1
355.20328	0.3
357.20523	0.2
373.21582	7.5
374.21851	0.3
401.23169	0.1
417.24310	0.1
491.63257	0.1
983.57672	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	1095.6462
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03934	1.0
79.05488	6.8
81.03426	0.6
81.07074	0.5
87.04463	22.5
88.43851	0.3
89.06025	74.3
91.05476	16.8
93.07042	2.4
95.04972	5.3
103.05460	8.9
105.07023	100.0
105.71538	0.3
106.07336	0.7
107.04951	3.4
107.07063	3.3
113.05994	1.5
115.05428	0.9
115.07529	0.5
116.06207	1.5
117.07009	3.1
117.09129	5.0
119.04945	1.4
119.07773	0.6
119.08571	7.5
120.25552	0.3
121.06491	12.3
127.35935	0.3
128.06210	2.9
128.99754	0.3
129.07001	5.2
130.08609	2.3
131.07063	6.4
131.08556	12.9
132.05692	1.8
133.06476	1.3
133.08595	45.6
133.10190	1.5
135.08044	1.1
143.08582	0.3
145.06483	2.2
145.10159	0.4
147.08037	59.8
148.08345	0.6
149.09607	10.6
151.09645	0.4
155.08511	0.4
159.10110	0.8
161.11722	0.7
163.07489	0.5
163.11096	0.6
165.06987	1.0
165.09100	0.9
165.26186	0.3
166.07764	0.8
169.58777	0.3
171.08032	0.4
173.09576	1.6
175.09676	4.3
175.11127	0.7
177.11212	11.3
178.07814	0.5
179.08600	0.6
181.10088	3.1
191.10651	0.9
193.10593	0.4
193.12280	0.6
207.11678	0.6
208.08835	0.9
209.11604	0.4
219.12219	0.8
221.13710	1.2
222.10387	0.8
223.11163	2.2
223.15218	0.4
225.12724	30.0
226.13124	0.5
227.12793	0.4
234.10481	0.6
235.14917	0.4
237.12859	0.4
249.12744	6.0
251.14317	5.0
255.16010	0.4
267.13840	0.5
269.15396	1.4
271.15454	0.6
283.17551	0.5
295.16833	0.5
311.16364	1.1
313.17886	0.9
313.27289	0.4
315.17920	0.4
327.17230	0.8
329.18970	1.0
373.21591	6.7
455.30099	0.4
456.68353	0.4
609.44653	0.7
617.39154	0.3
728.19086	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1092.6735
Annotation	Unknow
Peak:m/z	Relative Intensity
83.06137	0.3
84.08146	0.4
85.02908	0.3
86.09710	0.6
87.04459	30.3
89.06022	100.0
91.03992	0.3
91.05447	0.4
91.07600	0.7
95.04982	0.5
97.06531	0.4
98.20688	0.4
103.43486	0.3
107.04971	0.5
107.07066	4.6
110.07161	0.3
113.06005	3.1
115.07543	1.4
117.09128	5.0
120.08106	0.3
130.08656	1.7
131.07033	8.4
133.08591	67.8
134.08908	0.5
134.99646	0.2
135.10150	0.5
139.07516	0.4
151.09659	0.6
157.08577	0.7
159.10129	1.4
161.11745	1.0
162.81708	0.3
175.09645	6.0
175.11142	0.3
177.11209	22.9
179.12744	0.5
193.10770	0.3
195.12311	0.3
201.11177	0.5
219.12239	2.1
221.13799	3.2
223.15401	0.4
237.13405	0.3
239.14813	1.0
245.13850	0.3
263.14883	0.3
265.16486	0.7
267.18134	0.5
283.17383	1.6
295.82169	0.3
309.18973	0.6
317.06552	0.7
327.19931	0.8
345.73187	0.3
353.21594	0.8
371.22556	0.3
391.02811	0.4
397.23605	0.4
571.24445	0.3
746.96100	0.3
784.67102	0.3
834.66455	0.3
1075.62390	0.8
1092.65356	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1089.5743
Annotation	Unknow
Peak:m/z	Relative Intensity
86.09185	0.1
91.05505	0.1
105.07036	0.2
117.28078	0.1
153.78477	0.1
159.27928	0.1
215.06827	0.2
347.14941	0.1
375.88028	0.1
391.17245	0.1
494.30035	0.1
633.54987	0.1
743.37732	0.2
753.39099	0.1
820.12518	0.1
910.23230	0.1
1089.57434	100.0
1090.57703	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	1089.6332
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05071	0.5
79.05487	5.6
81.03398	0.5
81.07056	31.2
83.04950	1.0
83.08620	15.7
85.02430	0.6
85.02901	8.4
85.06515	0.9
85.10184	15.6
89.06004	0.8
91.03424	0.4
91.03960	6.1
91.05499	3.5
93.07036	5.4
95.04927	0.7
95.08607	39.0
97.02903	4.0
97.06492	1.8
97.10166	9.5
98.98468	19.9
99.04409	0.6
99.08059	1.1
99.11747	0.5
103.07578	1.1
105.07043	2.6
107.08594	2.9
109.10158	17.3
111.08061	1.2
111.11665	2.1
113.13222	0.6
116.99514	0.7
119.08527	2.2
121.10139	3.1
123.08081	0.6
123.11707	7.9
125.13221	1.1
127.03919	2.7
133.10146	2.7
135.11667	2.1
137.13261	3.9
145.04980	3.8
147.11623	1.7
148.22411	0.5
149.13211	1.3
151.14793	1.6
155.01044	10.6
161.13208	1.4
163.06009	5.9
163.14766	1.1
165.16335	1.5
166.98843	0.5
167.14282	0.7
173.02084	4.5
175.14877	1.2
183.06587	0.6
189.16277	0.6
210.46025	0.5
221.22603	1.1
239.23708	21.8
239.73924	0.6
245.22707	4.5
249.01170	0.4
257.24808	4.1
263.23700	12.0
290.02374	0.5
298.27493	1.1
308.83014	0.5
313.27368	100.0
314.27731	1.8
331.28421	42.0
332.28848	1.2
337.27371	65.5
338.27692	1.4
375.50854	0.5
417.23718	3.1
435.25275	0.8
475.32907	2.7
499.32599	1.1
637.37994	0.7
886.83752	0.5
891.10730	0.6
927.77301	0.6
1089.57532	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1084.6559
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03900	0.9
79.05482	6.2
87.04457	8.8
87.95465	0.1
89.06020	36.8
90.06344	0.2
91.05466	3.2
91.07610	0.2
93.07046	0.3
95.04957	3.7
102.04705	0.2
103.05457	6.2
105.07017	100.0
106.07352	1.3
107.04952	0.2
107.07060	1.1
113.05991	0.5
115.05441	0.5
115.07555	0.3
116.06196	0.4
117.06990	0.5
117.09123	2.1
118.06516	0.2
119.04939	0.2
119.08528	0.6
121.06505	2.2
128.06219	0.3
129.07011	1.2
130.08606	0.8
131.07056	2.9
131.08551	7.0
131.56712	0.1
133.08585	28.3
133.10187	0.8
133.48914	0.1
134.08917	0.2
135.10121	0.3
145.06459	0.5
147.08035	2.6
149.09534	0.7
151.09612	0.2
155.08533	0.2
157.08607	0.3
157.10075	0.3
159.10147	0.3
161.11691	0.7
163.25021	0.1
165.06993	0.4
165.09064	0.4
166.07762	0.3
169.10016	0.1
173.09618	0.6
175.09676	2.2
175.11072	0.2
177.11203	10.1
178.07831	0.2
179.08545	0.4
179.12834	0.2
180.09380	0.2
181.10083	0.7
191.08646	0.2
191.10672	0.4
192.09312	0.2
193.10275	0.2
195.08046	0.1
207.07921	0.1
207.11644	0.2
209.11526	0.2
209.13284	0.2
211.13261	0.2
219.12192	0.6
221.13808	1.5
222.10281	0.2
223.11154	1.3
223.15372	0.2
225.12715	6.5
227.12764	0.4
230.48975	0.2
235.14883	0.3
237.12782	0.2
239.14705	0.5
241.07561	0.1
247.15573	0.1
249.12669	0.5
251.14282	14.7
252.14668	0.3
253.15941	3.0
255.15778	0.2
265.16351	0.3
267.13699	0.7
267.17667	0.3
269.15356	1.3
271.15314	0.5
283.17435	0.5
295.16821	0.5
299.18524	0.2
301.15799	0.2
309.18988	0.3
311.16394	0.4
313.17889	0.9
315.17697	0.2
327.17282	2.9
329.18948	14.4
330.19327	0.6
339.19598	0.2
353.18802	0.5
355.20483	0.8
357.20459	0.4
371.19705	0.6
373.21579	4.0
375.21503	0.2
397.24295	0.2
401.22922	0.2
415.22470	0.2
417.23904	0.2
419.24133	0.2
431.23581	0.3
433.25156	0.4
461.27243	0.2
463.26816	0.2
477.27902	5.6
478.28198	0.4
505.29010	0.1
507.28909	0.2
629.84473	0.1
755.45044	0.1
963.55627	0.3
1067.60876	0.3
1084.65027	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1084.656
Annotation	Unknow
Peak:m/z	Relative Intensity
76.21545	0.1
77.03915	0.8
79.05485	6.5
81.03456	0.1
87.04461	7.7
89.06023	33.9
89.29005	0.1
91.05471	3.2
91.07590	0.2
93.07043	0.3
95.04349	0.2
95.04961	4.0
103.05459	6.0
105.07019	100.0
106.07351	0.8
107.04929	0.2
107.07071	1.1
113.06003	0.5
115.05428	0.5
115.07558	0.4
116.06221	0.5
117.06989	0.6
117.09119	2.1
119.04903	0.1
119.08540	0.7
121.06492	2.4
128.06210	0.4
129.06999	1.1
130.08617	0.7
131.07057	2.4
131.08553	6.7
133.08589	23.8
133.10188	0.7
134.08868	0.1
135.07977	0.1
135.10149	0.3
143.08560	0.1
145.06458	0.4
147.08034	2.4
149.09604	0.8
153.07036	0.2
155.08563	0.2
157.08673	0.2
158.07253	0.1
159.10185	0.3
161.11734	0.6
165.07014	0.4
165.09137	0.3
166.07768	0.5
167.08527	0.1
169.10156	0.2
173.09573	0.5
175.09669	1.7
175.11139	0.3
177.11206	8.2
178.07732	0.3
179.08578	0.3
179.12749	0.2
180.09146	0.1
181.10149	0.6
191.08664	0.1
191.10674	0.3
192.09248	0.2
193.10245	0.1
193.12283	0.1
195.11734	0.1
196.08968	0.1
197.09514	0.1
203.08562	0.2
205.10023	0.1
207.08054	0.2
207.11746	0.2
209.11588	0.2
209.13293	0.3
211.13248	0.1
218.10948	0.2
219.12086	0.5
221.09709	0.2
221.13815	1.3
222.10332	0.2
223.11162	0.9
223.15376	0.2
225.12714	5.8
227.12755	0.4
233.13251	0.1
235.15024	0.5
237.12854	0.2
239.14799	0.5
249.12808	0.6
251.14290	14.9
252.14563	0.1
253.15912	3.4
255.15804	0.1
265.16339	0.2
267.13721	0.3
267.17593	0.3
269.15314	1.1
271.15326	0.4
277.15915	0.2
283.17517	0.6
295.16928	0.6
301.15881	0.2
309.19040	0.2
311.16348	0.6
313.18063	1.0
315.17856	0.2
325.15994	0.1
325.96219	0.1
327.17316	2.7
327.20331	0.2
329.18954	12.3
330.19183	0.2
339.19562	0.2
353.18481	0.5
355.20245	0.5
357.20499	0.2
371.19934	0.8
373.16855	0.2
373.21582	3.3
375.21536	0.2
377.71649	0.1
397.24274	0.1
415.22287	0.3
417.24326	0.2
419.24161	0.3
431.23495	0.2
445.26129	0.2
477.27850	4.4
478.27771	0.2
547.32422	0.1
595.33990	0.1
859.49695	0.2
963.56732	0.1
1067.63867	0.2
1084.63647	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1078.7825
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05480	0.3
81.03402	0.2
81.07082	0.2
82.06577	0.2
84.08136	4.3
84.08608	0.3
85.10186	0.4
86.06039	0.2
86.09698	5.7
87.04490	0.5
88.07652	0.4
89.06026	3.6
89.06559	0.3
91.05475	0.2
93.07043	0.2
95.08647	0.2
96.08147	0.6
96.37064	0.1
98.21594	0.3
100.07636	0.4
105.07027	0.2
113.61931	0.2
114.09155	5.8
133.08611	0.3
158.11743	0.2
189.37291	0.2
202.14384	0.3
229.87321	0.3
268.29953	2.1
273.39450	0.2
282.31647	0.7
294.31543	4.9
296.33081	7.6
308.20746	0.2
310.31186	0.3
312.32538	0.9
340.35684	0.2
342.65201	0.2
352.23169	0.3
356.35248	0.5
382.36719	0.2
396.26096	0.2
400.37881	0.2
408.50803	0.2
444.40665	0.6
459.18768	0.2
488.43094	1.6
532.45459	2.2
576.48206	2.3
612.88104	0.2
620.50897	3.3
664.53571	3.5
708.56146	3.2
752.58746	2.2
774.75549	0.2
796.61261	2.0
840.63538	1.1
884.66357	0.8
928.69415	0.4
1078.57202	5.1
1078.78076	100.0
1079.78564	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	1073.6011
Annotation	Unknow
Peak:m/z	Relative Intensity
74.89247	0.1
79.05471	0.1
80.12884	0.1
80.33052	0.1
83.01094	1.4
87.04463	0.2
89.06035	0.6
91.05463	0.3
97.02680	0.4
105.07014	1.0
106.07382	0.5
111.04185	4.7
112.05017	0.2
113.05784	0.2
119.08618	0.2
121.06532	0.2
125.05773	0.4
126.06639	0.1
127.03659	3.4
131.07167	0.1
131.08557	0.1
133.08643	0.4
139.07303	1.5
141.05211	1.2
141.08897	0.2
144.03912	0.1
147.08083	0.4
148.08429	0.2
149.56425	0.1
150.09982	0.1
155.06767	5.0
156.07701	0.2
158.05606	0.2
169.08371	1.1
171.06262	3.2
171.07576	0.2
172.07124	0.3
183.09880	1.7
184.10591	0.2
185.07809	1.9
185.09274	0.1
188.06578	0.6
199.09386	6.4
201.07408	0.4
202.08171	0.4
213.10927	0.9
214.11890	0.1
215.08894	2.5
216.09726	0.7
217.06943	0.2
227.12473	1.6
229.10434	1.0
230.30437	0.1
230.32448	0.1
232.09314	0.5
243.12012	4.1
245.10016	0.4
246.10695	0.7
250.90479	0.1
257.13531	1.4
259.11536	1.4
260.12515	0.2
261.09518	0.3
262.10385	0.3
271.15131	4.1
273.13065	1.0
287.14624	5.1
288.57108	0.1
289.12598	0.1
301.16208	1.0
303.14136	1.4
306.12909	0.2
315.17746	1.7
315.20847	0.1
317.15982	0.4
331.17239	3.1
345.18954	0.4
347.16733	1.3
359.20352	0.8
361.18323	0.1
375.19846	3.9
376.20541	0.1
389.21634	0.2
390.49176	0.1
391.19257	1.7
403.23233	0.4
419.22421	2.7
429.03616	0.1
435.21967	2.0
436.22849	0.1
447.25833	0.4
463.25110	4.3
464.25485	0.1
479.24655	2.4
479.30887	0.2
491.28516	0.3
507.27750	2.5
523.27155	2.3
535.31079	0.2
536.81500	0.1
551.30414	4.2
552.31055	0.3
567.29871	2.6
595.33081	1.3
611.32434	2.7
639.35535	3.9
640.35901	0.1
655.35034	3.0
683.38232	1.2
699.37531	2.8
700.37860	0.2
727.40735	3.6
727.53705	0.2
728.41113	0.3
743.40161	3.6
744.41266	0.2
755.85065	0.1
771.43719	1.2
794.77386	0.1
877.47723	0.2
1073.60059	100.0
1074.60474	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	1070.5573
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05492	9.1
81.07056	16.3
83.04970	0.6
83.08626	2.5
85.06493	0.5
91.05474	4.5
93.07037	12.5
93.30335	0.3
95.04969	1.1
95.08604	14.0
95.14472	0.3
97.06531	0.9
97.10184	0.6
99.08109	0.4
101.06026	0.3
105.07037	3.1
107.08586	5.4
109.06549	0.4
109.10152	4.4
117.07008	0.8
119.08582	2.0
121.10159	4.7
123.11708	1.4
131.08553	1.5
133.10141	1.6
135.11682	2.4
137.13329	0.4
141.09605	0.4
142.02718	0.3
145.10110	1.3
147.11681	1.1
149.01230	0.4
149.13232	1.0
159.11658	0.5
161.13243	1.1
163.14780	0.6
173.13351	0.6
177.00630	0.4
216.06316	0.6
219.01871	0.4
261.22171	0.6
304.26425	1.6
335.25793	100.0
336.26236	3.4
400.49265	0.4
408.64090	0.4
476.27710	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	1070.5573
Annotation	Unknow
Peak:m/z	Relative Intensity
74.90417	0.1
79.05493	2.9
81.07056	6.3
83.08640	0.7
84.08102	0.2
85.05277	1.4
86.06058	0.5
91.05472	1.4
93.07043	2.6
95.04972	0.4
95.08607	4.7
96.08127	0.2
97.10164	0.3
98.06054	8.1
98.98472	0.2
102.53370	0.1
105.07052	0.8
106.13934	0.1
107.08599	1.3
108.03501	0.1
108.08131	0.2
109.06451	0.2
109.10165	1.8
110.09699	0.2
112.07599	0.9
112.08231	0.2
119.08564	0.6
121.10133	0.9
123.11707	0.5
124.07585	0.2
124.11201	0.3
125.08313	0.2
126.09164	0.2
131.08583	0.4
132.90956	0.2
133.10085	0.2
135.11682	0.5
137.13274	0.3
138.09158	0.4
140.10695	0.5
145.10147	0.3
147.11671	0.3
149.13225	0.5
152.10675	0.3
154.12244	0.6
161.13219	0.3
163.73021	0.1
166.12341	0.2
168.13869	0.4
180.13914	0.3
182.15414	0.3
194.15355	0.2
196.16940	0.4
208.16937	0.7
210.18539	0.1
217.19476	0.1
222.18550	0.7
228.14670	0.1
234.18501	0.3
236.20058	0.4
248.20116	0.4
262.21872	0.2
273.94235	0.2
304.26337	100.0
305.26688	3.1
322.27542	0.7
335.25787	1.9
336.26022	0.2
476.27618	0.2
669.17365	0.2
705.28503	0.2
783.04126	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1070.5572
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05491	13.6
81.07053	15.5
83.08610	2.0
91.05473	8.2
93.07049	14.8
95.04955	2.0
95.08605	14.5
97.06516	1.0
98.06030	0.7
98.98468	9.2
104.10714	1.1
105.07031	5.1
107.08599	6.9
109.10156	5.2
117.07025	1.3
119.08584	4.3
121.10146	5.4
123.11694	0.9
124.01620	1.7
130.55745	0.7
131.08572	2.4
133.10117	2.7
135.11664	4.2
142.02675	1.1
145.10121	2.1
147.11629	2.6
149.13257	2.1
155.01010	3.8
159.11670	1.4
161.13232	2.3
163.14810	0.8
173.02061	1.6
173.13258	1.6
198.05254	2.2
216.06371	2.6
243.21045	2.7
255.58385	0.8
261.22110	6.6
300.19370	0.8
304.26260	7.6
317.24847	1.1
335.25797	100.0
336.26096	3.9
415.22470	4.2
458.26688	28.1
459.26904	1.6
476.27710	41.2
477.28009	1.9
556.70361	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.6
53.03948	10.0
53.04202	0.6
55.01876	2.9
63.06738	0.3
65.03940	0.3
70.71926	0.6
70.72289	0.3
77.03931	2.7
79.05497	13.1
81.03420	1.5
89.54270	0.3
91.05482	1.0
95.04973	23.1
96.05292	0.3
105.04527	4.1
107.04958	100.0
108.05299	2.7
109.06572	0.3
118.06543	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0494
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02377	1.2
53.03948	11.4
54.94484	0.3
55.01868	2.9
67.52342	0.3
67.52779	0.3
70.50302	1.1
77.03926	2.3
79.05494	12.8
80.05019	0.3
81.03420	1.9
91.05470	0.5
95.04967	22.8
96.05320	0.4
105.04527	3.2
106.78593	0.3
107.04953	100.0
108.05298	2.2
111.02798	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.4
50.08434	0.2
51.02375	1.7
52.49257	0.2
53.03946	10.1
53.17756	0.2
54.04282	0.3
55.01872	2.6
67.90203	0.2
67.90575	0.2
70.71053	0.6
74.73860	0.2
77.03926	2.2
78.04251	0.2
78.04710	0.2
79.01867	0.3
79.05490	13.3
80.05807	0.4
81.03430	1.4
91.05482	0.3
95.04965	23.6
96.05300	0.6
101.01808	0.2
105.04510	4.3
107.04951	100.0
108.05280	3.2
109.72530	0.2
118.06541	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01593	0.4
51.02374	1.3
53.03946	8.9
55.01873	2.1
59.11804	0.2
70.04475	0.2
70.76467	0.6
71.13174	0.2
77.03931	2.3
79.05492	12.2
80.05798	0.3
81.03420	1.4
87.04007	0.2
87.21657	0.2
95.04966	21.7
96.05314	0.2
104.50519	0.2
105.03836	0.4
105.04514	4.5
107.04952	100.0
108.05270	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02383	1.1
53.03945	8.4
55.01875	2.0
59.43219	0.2
59.93000	0.2
67.04246	0.4
70.98808	0.7
75.69841	0.2
77.03921	2.2
78.63012	0.2
79.01826	0.3
79.05489	11.8
80.05012	0.9
80.05812	0.4
81.03422	1.3
91.05483	0.4
95.04964	19.8
96.05292	0.6
100.02478	0.2
105.04508	3.3
105.06984	0.2
107.04948	100.0
108.05273	3.5
115.92311	0.2
116.23119	0.3
122.37000	0.2
124.12171	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01594	0.4
51.02390	1.6
53.03948	8.6
53.46295	0.2
55.01877	2.7
58.07125	0.2
62.73773	0.2
64.29189	0.2
71.02885	0.3
71.03227	0.5
77.03933	2.2
79.05495	14.5
80.05047	0.3
80.05845	0.3
81.03426	1.2
91.05494	0.4
95.04972	22.3
96.05299	0.5
100.98802	0.2
105.04516	4.1
107.04956	100.0
108.05289	2.8
111.21345	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0494
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01586	0.3
51.02372	1.3
53.03943	8.6
55.01867	2.1
55.26061	0.2
69.27601	0.2
70.72099	0.3
70.72437	0.6
72.30804	0.3
77.03918	1.8
79.05486	11.7
81.03406	1.2
95.04961	19.3
96.05288	0.6
105.04505	3.2
107.04944	100.0
108.05278	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	107.0494
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01601	0.4
51.02385	1.0
53.03945	7.7
55.01872	2.3
64.83199	0.1
69.51388	0.8
69.51814	0.4
77.03925	2.5
77.04337	0.3
79.01831	0.2
79.05490	11.9
80.05842	0.1
81.03410	1.4
88.06100	0.2
90.34248	0.2
91.79136	0.1
95.04964	20.2
96.05264	0.4
104.14156	0.1
105.04510	3.6
107.04949	100.0
108.05281	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	107.0494
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02371	0.9
53.03698	0.5
53.03940	7.6
55.01862	2.0
56.96564	1.7
69.93310	1.0
69.93730	1.0
70.81442	0.3
72.52959	0.5
72.63226	0.3
77.03913	1.5
79.05482	9.7
81.03405	1.3
82.01408	0.5
86.52673	0.7
95.04958	16.7
100.02479	0.7
105.04513	3.1
107.04942	100.0
108.05265	2.2
115.09089	0.3
116.91204	0.3
118.42198	0.4
119.01900	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01580	0.3
51.02384	1.0
52.10249	0.2
53.03946	7.9
55.01868	1.9
70.77574	0.5
77.03930	2.2
79.05490	11.4
80.05830	0.3
81.03413	1.0
95.04964	19.1
96.05273	0.4
105.04518	3.5
107.04950	100.0
108.05267	3.0
120.37977	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	0.2
51.02372	1.0
53.03941	8.1
55.01865	2.0
55.09248	0.2
56.96559	0.5
70.70971	0.2
70.71305	0.5
77.03920	2.0
79.01850	0.2
79.05487	11.6
81.03403	1.1
90.58910	0.3
95.04961	18.3
96.05275	0.3
98.77608	0.2
100.02452	0.3
105.04496	3.5
107.04945	100.0
108.05280	3.4
108.08116	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1068.6454
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03900	1.2
78.04715	0.2
79.05486	7.5
80.03185	0.2
81.03410	0.3
87.04460	16.4
89.06022	63.7
90.06353	0.3
91.05469	15.6
91.07570	0.2
92.05820	0.2
93.07045	1.7
95.04960	5.9
103.05457	10.2
104.06255	0.3
105.07019	100.0
106.07342	1.0
107.04946	3.3
107.07056	2.2
113.06017	1.2
115.05447	0.8
115.07542	0.8
116.06205	1.0
117.06998	2.4
117.09113	2.7
119.04940	1.4
119.08569	7.1
121.06493	12.3
128.06200	2.8
129.07002	5.5
130.08629	1.7
131.04922	0.3
131.06017	0.2
131.07021	5.5
131.08551	11.0
132.05701	2.0
133.06546	1.2
133.08586	42.8
133.10190	1.4
134.08945	0.4
135.08063	0.7
135.10158	0.5
142.07780	0.3
144.05730	0.2
145.06470	1.7
145.10147	0.3
147.08031	54.0
148.08386	0.7
149.05945	0.2
149.09602	11.9
151.09604	0.5
153.07021	0.3
155.06050	0.3
157.08600	0.4
157.10089	0.3
159.08018	0.2
159.10132	0.7
160.72253	0.2
161.09590	0.2
161.11711	1.0
163.07573	0.5
163.11168	0.6
165.06963	0.7
165.09100	0.5
166.07776	0.7
169.10078	0.2
171.08112	0.3
173.09569	1.5
175.09645	3.3
175.11169	0.9
177.11206	14.6
178.07770	0.5
179.08551	0.6
179.12798	0.2
181.10106	2.2
181.11615	0.3
188.05396	0.2
191.10632	0.9
192.09360	0.4
193.10321	0.4
193.12196	0.4
195.07947	0.3
201.11183	0.3
205.09993	0.2
207.08093	0.4
207.11676	0.7
208.08769	0.8
209.11501	0.2
209.13304	0.4
211.13243	0.3
216.94975	0.2
219.12199	1.5
221.09486	0.5
221.13814	2.2
222.10329	0.4
223.11162	2.9
223.15317	0.3
225.12717	28.6
226.13037	0.5
227.12759	0.3
234.10225	0.3
235.11136	0.2
235.14951	0.3
237.12755	0.6
239.14934	0.7
249.12706	5.5
251.14317	4.3
255.15837	0.2
263.14609	0.2
265.16513	0.4
267.13751	1.6
269.15323	1.7
271.15262	0.6
277.15869	0.5
280.18668	0.2
283.17401	0.8
289.66092	0.2
295.16891	0.8
309.18994	0.5
311.16348	1.1
311.20380	0.2
313.17926	1.1
315.18011	0.3
320.53503	0.2
327.17169	1.1
327.20697	0.3
329.18939	1.1
339.19333	0.2
341.19662	0.3
348.30792	0.2
353.21887	0.4
355.20142	0.2
373.21573	7.7
374.21747	0.2
429.25793	0.2
445.25943	0.2
485.28979	0.2
756.96509	0.2
878.92517	0.2
902.38519	0.2
925.78241	0.2
1051.59766	0.6
1068.63940	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	1067.6297
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03905	0.6
79.05488	6.0
81.03408	0.2
87.04462	9.5
89.06023	36.5
90.06345	0.3
91.05471	4.4
91.07593	0.3
93.07021	0.4
95.04961	2.9
103.04774	0.3
103.05460	6.3
105.07021	100.0
106.07352	1.5
107.04968	0.2
107.07066	1.1
113.05991	0.7
115.05443	0.4
115.07562	0.2
116.06218	0.5
117.06998	0.5
117.09137	2.1
118.20773	0.1
119.04916	0.2
119.08559	0.8
119.55815	0.1
121.06502	2.8
122.98474	0.1
128.06210	0.3
129.06993	1.5
130.08638	0.7
131.07063	2.4
131.08556	7.1
132.08910	0.2
133.08591	21.9
133.10178	0.8
134.08925	0.2
145.06454	0.5
147.08035	2.4
149.09567	0.7
155.08492	0.2
157.08667	0.2
159.10181	0.3
161.11661	0.5
165.07005	0.4
165.09093	0.4
166.07738	0.5
169.10110	0.3
173.09590	0.6
175.09679	1.5
175.11064	0.2
177.11212	6.0
178.07721	0.2
179.08521	0.3
181.10057	0.8
183.10167	0.2
191.10605	0.4
192.09262	0.2
193.10262	0.2
203.08572	0.2
206.03218	0.1
207.11620	0.3
208.08784	0.1
209.13319	0.2
211.13223	0.2
212.42406	0.1
219.12134	0.3
221.09517	0.3
221.13800	0.7
223.11154	0.8
223.15283	0.2
225.12714	6.6
226.12965	0.1
227.12700	0.3
235.14827	0.4
237.12947	0.2
239.14639	0.2
249.12685	0.7
251.14299	14.9
252.14575	0.3
253.15901	3.3
255.15913	0.2
267.13705	0.6
267.17365	0.3
269.15341	0.9
271.15372	0.4
283.17532	0.3
295.16806	0.5
301.15756	0.2
311.16452	0.5
313.18015	0.4
315.17804	0.4
327.17374	1.9
329.18964	12.0
330.19312	0.4
352.66241	0.1
353.18835	0.6
355.20340	0.5
357.20462	0.2
371.19806	0.6
373.21603	2.4
375.21661	0.1
431.23376	0.2
477.21213	0.2
477.27881	2.8
478.27908	0.3
589.01257	0.1
634.52930	0.2
665.12354	0.1
703.02155	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	1067.6294
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03907	0.7
79.05485	5.7
80.13703	0.1
81.03398	0.1
87.04456	9.7
89.06019	37.2
91.05469	3.5
91.07591	0.3
93.07047	0.2
95.04964	2.5
98.21497	0.4
103.04776	0.3
103.05456	5.7
105.07015	100.0
106.07344	0.4
107.04910	0.2
107.07047	1.3
113.06001	0.7
115.05427	0.3
115.07563	0.3
116.06203	0.5
117.06990	0.5
117.09109	1.8
119.04939	0.3
119.08549	0.8
121.06496	2.6
128.06172	0.3
129.07011	1.2
130.08618	1.1
131.07053	2.4
131.08546	6.7
133.08585	24.5
133.10176	0.7
135.08037	0.2
145.06477	0.5
145.10071	0.2
147.08023	2.0
149.09579	0.8
151.09641	0.2
155.08472	0.2
157.09999	0.2
159.10188	0.3
161.11702	0.4
165.07013	0.3
165.09071	0.5
166.07755	0.5
169.10059	0.2
173.09612	0.7
175.09666	1.6
175.11046	0.2
177.11197	6.6
178.07703	0.2
179.08511	0.3
181.10072	0.6
183.10132	0.1
191.08542	0.2
191.10649	0.3
192.09445	0.1
193.10217	0.3
203.08589	0.2
205.10088	0.1
207.11653	0.4
208.08696	0.2
209.11522	0.2
209.13264	0.4
217.48131	0.1
219.12206	0.5
219.18890	0.2
221.09558	0.2
221.13715	0.6
222.10283	0.2
223.11179	0.9
223.15265	0.1
225.12720	6.2
227.12682	0.3
235.11186	0.1
235.14752	0.4
237.12807	0.2
239.14600	0.4
249.12753	0.7
251.14282	14.4
252.14560	0.2
253.15865	3.5
265.16254	0.2
267.13751	0.6
267.17346	0.3
267.72406	0.1
269.15372	1.1
271.15302	0.5
277.15952	0.1
283.17444	0.3
295.16818	0.6
311.16229	0.7
313.17981	0.7
315.17783	0.3
327.17331	2.7
329.18945	12.4
353.18866	0.9
355.20236	0.4
357.20898	0.1
359.20703	0.1
371.19785	0.9
373.21619	2.8
375.21585	0.1
415.22659	0.2
419.24097	0.2
433.25403	0.1
456.19330	0.1
477.27856	2.7
573.68701	0.1
583.13239	0.1
651.16211	0.1
925.19391	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1062.7863
Annotation	Unknow
Peak:m/z	Relative Intensity
83.08654	0.2
84.08136	4.5
85.10175	0.2
86.06098	0.2
86.09696	5.8
87.04486	0.4
88.07629	0.4
89.06024	3.3
89.06550	0.2
96.08134	0.5
98.09709	0.3
98.21490	0.3
100.07652	0.3
105.07034	0.3
107.07040	0.2
112.07635	0.2
114.09154	4.9
119.08637	0.2
133.08647	0.2
156.90387	0.1
202.14474	0.2
264.18146	0.2
273.28452	0.1
296.33112	2.0
310.34851	0.5
322.34659	5.2
324.36212	7.5
338.33914	0.2
340.35654	0.7
352.23395	0.2
356.28189	0.2
366.25198	0.2
366.37317	0.2
384.38556	0.4
386.27176	0.2
396.26117	0.3
404.27457	0.2
408.33847	0.2
410.27725	0.3
410.40170	0.2
428.41159	0.4
454.30060	0.3
472.43527	0.3
498.32635	0.2
498.46695	0.1
516.46320	0.9
560.48950	1.1
604.51343	3.7
648.54034	4.5
648.64111	0.3
649.54950	0.2
692.56635	4.9
693.57446	0.2
736.59106	3.8
738.53625	0.3
780.61877	2.3
824.64172	0.7
868.66956	0.3
910.31622	0.2
946.79688	0.2
1062.78638	100.0
1063.79041	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	1056.6408
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02903	0.6
73.06532	0.9
74.81822	0.4
77.03913	0.5
79.05482	5.5
87.04469	5.7
89.06028	26.9
91.05476	4.1
95.04967	3.5
103.05450	5.4
105.07024	100.0
106.07386	0.6
107.07046	1.7
117.07021	1.1
117.09170	0.9
119.08617	0.6
121.06509	1.6
129.06999	1.1
130.08644	1.7
131.07062	2.3
131.08559	7.7
133.08598	23.2
147.08025	0.6
149.05968	1.3
155.08484	0.5
159.10223	0.4
165.06929	0.5
167.08554	0.8
175.09683	1.8
177.11211	8.5
179.08530	0.6
181.10201	0.7
191.10645	0.4
193.10381	0.6
194.10956	1.5
207.11511	0.5
209.13248	13.4
221.13910	1.2
223.11090	0.6
225.12709	2.6
235.14868	2.0
237.12808	1.2
239.15015	0.6
250.72009	0.4
251.14363	3.3
253.15916	0.8
269.15341	1.1
271.15454	0.6
283.17557	0.7
295.16852	0.5
313.18057	0.9
315.17502	1.7
327.17468	1.1
329.19162	2.7
355.20380	2.8
373.21686	1.5
419.24152	0.5
431.24002	0.8
433.25412	2.6
457.62552	0.5
477.27979	2.3
537.43500	0.5
581.34070	2.5
727.42767	0.6
832.79327	0.4
1056.65259	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1061.5595
Annotation	Unknow
Peak:m/z	Relative Intensity
91.05482	0.1
94.58517	0.1
108.77197	0.1
127.01595	0.2
143.01033	0.1
151.64436	0.1
155.04808	0.1
169.37273	0.1
171.04204	0.3
199.07387	0.1
215.06865	0.3
229.08406	0.1
259.09518	0.3
286.74847	0.1
287.12558	0.1
303.12128	0.2
331.15192	0.2
347.14847	0.3
391.17300	0.2
435.20105	0.3
479.22235	0.1
523.25208	0.2
1061.55847	100.0
1062.56116	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	1051.6193
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02905	1.0
73.06549	1.8
77.03882	0.7
79.05482	5.8
81.03428	0.2
87.04459	13.5
89.06020	41.0
90.06355	0.2
91.05466	4.4
91.07613	0.2
93.07051	0.7
95.04961	3.3
98.20586	0.2
103.05454	6.1
105.07017	100.0
106.07365	0.6
107.04958	0.3
107.07058	1.9
113.05976	0.8
115.05415	0.5
115.07577	0.3
116.06224	0.4
117.06972	0.8
117.09116	2.4
119.04918	0.5
119.08559	1.3
121.06488	5.5
127.85723	0.1
128.06201	0.3
129.06989	1.4
130.08612	1.6
131.07025	3.2
131.08557	6.2
132.05724	0.1
133.08586	25.7
133.10194	0.6
134.08896	0.2
135.08043	0.3
135.10144	0.2
137.52403	0.1
139.07491	0.2
141.06953	0.2
143.08524	0.2
145.06459	0.8
147.08031	4.5
149.09604	1.3
151.09642	0.3
154.07661	0.1
155.08514	0.2
157.08679	0.1
159.10161	0.5
159.68796	0.1
161.11722	0.6
162.09099	0.1
163.07547	0.3
163.11134	0.1
165.06938	0.6
165.09108	0.9
166.07718	0.6
167.08540	0.2
169.10081	0.5
170.27911	0.1
171.08055	0.1
173.09621	0.4
175.09671	2.0
175.11125	0.3
177.11203	6.7
178.07796	0.2
179.08501	0.3
179.12704	0.1
181.06520	0.1
181.10141	0.1
183.10158	0.1
191.08519	0.2
191.10599	0.5
192.09355	0.4
193.10602	0.3
193.12276	0.3
197.09584	0.2
197.13293	0.2
201.11130	0.1
207.11684	0.3
208.08795	0.2
209.11624	0.4
209.13335	0.3
211.13226	0.2
219.12262	0.5
221.09650	0.2
221.13797	0.8
222.10146	0.1
223.11150	1.7
223.15227	0.2
225.12712	15.6
226.13000	0.2
227.12758	0.3
230.81355	0.2
235.14865	0.2
236.11972	0.1
237.12798	0.1
239.14713	0.4
249.12668	0.9
251.14259	2.8
253.16058	0.2
255.15913	0.3
257.06845	0.1
265.16510	0.1
267.13782	0.9
267.17081	0.2
269.15359	2.3
271.15329	0.2
277.15869	0.2
279.15884	0.2
283.17462	0.4
295.16995	0.8
297.18372	0.2
301.15854	0.2
311.16351	0.7
313.17856	0.7
315.18011	0.1
327.17310	1.3
329.18979	0.8
329.98935	0.1
343.20944	0.1
353.18726	0.2
355.19626	0.2
357.20413	0.2
373.21573	6.0
374.21970	0.2
380.11652	0.1
401.23477	0.2
1001.54956	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	1051.6199
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02538	0.1
73.02902	1.1
73.06544	1.9
77.03891	0.6
79.05482	5.4
81.03418	0.2
87.04459	12.6
89.06023	40.5
90.06336	0.1
91.05467	4.5
91.07595	0.2
93.07037	0.8
95.04349	0.2
95.04964	3.4
98.21550	0.2
102.04744	0.1
103.05458	5.7
105.07020	100.0
106.07373	0.5
107.04964	0.5
107.07064	1.7
113.06013	0.8
115.05441	0.3
115.07572	0.4
116.06214	0.4
117.06992	0.7
117.09116	2.5
119.04891	0.6
119.08552	1.0
121.06494	5.3
128.06216	0.4
129.06992	1.7
130.08612	1.5
131.04906	0.1
131.07028	3.6
131.08560	6.3
132.05663	0.2
133.08589	25.5
133.10191	0.8
135.08060	0.2
139.07581	0.2
145.06506	0.6
147.08032	4.1
149.09586	1.3
149.85193	0.1
151.09587	0.2
153.07008	0.2
155.08553	0.2
157.08601	0.2
159.10207	0.3
161.11694	0.5
163.07492	0.2
163.11214	0.3
165.07013	0.7
165.09087	0.8
166.07770	0.7
167.08553	0.2
169.10120	0.3
173.09607	0.4
175.09668	2.2
175.11089	0.3
177.11208	6.8
178.07710	0.2
179.08545	0.3
179.12761	0.2
181.10063	0.2
183.07918	0.1
191.08650	0.2
191.10683	0.4
192.09387	0.4
193.10724	0.2
193.12267	0.3
195.07968	0.1
195.11848	0.1
197.09650	0.2
197.13145	0.1
207.11702	0.4
208.08788	0.1
209.09842	0.1
209.11697	0.4
209.13396	0.2
211.11244	0.1
211.13278	0.2
219.12228	0.3
221.09637	0.1
221.13789	0.7
222.10370	0.1
223.11159	1.9
223.15300	0.2
225.12715	14.8
226.13144	0.2
227.12759	0.3
235.13135	0.3
236.11958	0.2
237.12823	0.2
239.14578	0.4
249.12682	0.8
251.14310	2.9
253.13820	0.1
253.15884	0.4
255.15993	0.2
267.13837	0.8
267.17737	0.2
269.15359	2.3
271.15372	0.3
277.15778	0.2
283.17526	0.3
295.16946	0.9
297.18610	0.2
301.15753	0.2
309.18823	0.1
311.16379	0.4
313.17929	0.6
315.17950	0.2
327.17313	1.4
327.20493	0.1
329.19058	0.7
339.19421	0.2
355.20258	0.2
355.59308	0.1
357.20743	0.2
373.21582	6.5
401.23087	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	1051.62
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02907	2.5
73.06553	2.8
77.03931	0.8
79.05482	7.3
80.36264	0.2
80.99413	0.2
81.03437	0.3
87.04459	19.4
89.06022	60.8
91.05470	16.5
91.07622	0.4
93.07038	1.5
95.04962	5.0
98.20761	0.5
102.24121	0.2
103.05460	9.7
104.06280	0.3
105.07019	100.0
106.07362	0.7
107.04952	4.1
107.07066	2.9
108.17281	0.2
113.05998	1.0
115.04783	0.2
115.05428	1.1
115.07575	0.5
116.06229	1.0
117.06998	3.2
117.09132	2.5
119.04934	1.5
119.08566	8.6
121.06492	12.8
122.45461	0.2
128.06212	2.7
129.06982	5.1
130.08632	2.1
131.04941	0.3
131.07050	4.4
131.08553	9.7
132.05685	1.9
132.08945	0.3
132.84915	0.2
133.06552	1.3
133.08589	37.1
133.10007	1.7
135.08083	0.7
142.07809	0.2
144.05724	0.3
145.06468	1.9
145.10112	0.4
147.08029	56.4
148.08365	0.5
149.09602	10.4
151.09613	0.3
155.08516	0.3
155.31926	0.3
157.10112	0.4
159.10172	0.4
159.11641	0.3
161.09631	0.3
161.11736	0.7
163.07510	0.5
163.11134	0.6
165.06985	0.9
165.09096	0.8
166.07748	0.9
167.08536	0.3
171.08006	0.4
173.09636	1.5
175.09644	2.4
175.11169	0.8
177.09621	0.4
177.11198	8.8
178.07747	0.6
179.08525	0.7
181.10092	2.4
189.09055	0.2
191.08730	0.3
191.10670	0.9
192.09340	0.6
193.10297	0.3
193.12207	0.4
194.07350	0.3
195.11818	0.3
205.10123	0.3
206.10852	0.3
207.08171	0.3
207.11687	0.6
208.08830	1.0
209.09784	0.3
209.11610	0.3
209.13348	0.3
211.11218	0.2
219.12141	0.6
221.09718	0.4
221.13869	0.7
222.10365	0.4
223.11185	2.5
225.12712	22.9
227.12830	0.4
229.30710	0.2
234.10320	0.3
235.14854	0.6
237.12770	0.4
239.15041	0.4
249.12723	4.7
251.14363	3.1
253.16122	0.2
253.62099	0.2
267.13605	1.1
269.15381	1.2
271.15363	0.3
283.17606	0.3
295.16818	0.5
297.18674	0.2
311.16293	1.0
313.17963	0.7
315.18011	0.3
327.17355	0.9
329.18823	0.7
373.21521	3.4
393.21646	0.2
495.15976	0.3
580.98468	0.3
999.26093	0.3
1050.74109	0.3
1051.74756	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01578	1.1
51.02374	4.3
53.03950	16.5
58.02864	1.1
60.97157	1.0
69.95218	5.8
77.03910	4.3
79.05492	71.7
80.05825	1.6
81.03399	2.5
89.32114	1.2
95.04964	40.0
103.05465	50.7
104.05785	1.8
105.04517	7.9
105.07027	100.0
105.11058	1.9
106.07355	2.3
116.12174	1.2
124.42017	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.6193
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02923	2.2
73.06549	3.0
74.06071	0.2
77.03928	0.5
79.05486	7.9
81.07062	0.4
87.04459	20.3
89.06023	67.6
89.65540	0.3
90.06353	0.3
91.05472	16.4
93.07030	1.9
95.04965	5.2
97.19776	0.3
98.20715	0.8
102.04662	0.4
103.05462	8.5
103.06129	0.5
103.21545	0.3
104.06226	0.3
105.07021	100.0
106.07337	0.5
107.04943	3.5
107.07051	2.7
113.06005	1.5
113.06686	0.3
115.05441	1.0
115.07594	0.7
116.06226	1.2
117.06998	3.1
117.09126	3.4
119.04945	1.3
119.08566	8.3
121.06493	12.4
128.06198	3.3
129.06995	5.9
130.08604	2.1
131.04948	0.4
131.06024	0.3
131.07053	5.4
131.08549	11.0
132.05693	2.3
133.06483	0.9
133.08592	40.5
133.10002	1.7
135.08057	1.0
135.10141	0.3
143.08562	0.3
145.06451	1.8
145.10121	0.4
145.47850	0.3
147.08034	55.2
148.08360	1.2
149.09607	11.1
155.08566	0.4
157.08693	0.3
157.10092	0.3
159.08072	0.3
159.10179	0.6
161.11713	0.6
163.07486	0.3
163.11212	0.6
165.06949	1.0
165.09088	0.8
166.07733	0.9
171.08093	0.3
173.09592	1.2
175.09650	2.8
175.11169	0.9
177.11201	10.7
178.07762	0.5
179.08531	0.9
181.10129	2.3
189.09039	0.3
191.10657	0.8
192.09370	0.5
193.10434	0.5
193.12201	0.6
207.07915	0.3
207.11685	0.6
208.08771	1.1
209.11559	0.3
209.13336	0.4
219.12204	0.7
221.09666	0.4
221.13683	1.2
222.10222	0.3
223.11168	2.4
223.15373	0.3
225.12714	26.3
226.13002	0.4
227.12798	0.4
235.11082	0.5
235.14862	0.6
237.12761	0.6
239.14793	0.3
249.12753	4.6
251.14333	4.4
255.15891	0.4
267.13754	0.8
269.15323	1.2
271.15524	0.3
277.15695	0.3
283.17349	0.3
295.17087	0.6
311.16690	0.6
313.17938	0.6
313.27365	0.4
327.17300	0.7
329.18933	1.0
373.21591	5.1
415.22479	0.3
429.84894	0.3
532.66711	0.3
1010.42065	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01596	0.5
51.02378	1.8
53.03944	10.9
55.01860	0.5
58.74163	0.3
77.03923	3.0
79.05487	52.7
80.05831	1.5
81.03413	1.5
88.57510	0.3
89.83166	0.3
95.04961	27.1
96.05265	0.8
102.92947	0.3
103.05459	40.6
104.05759	0.8
105.04530	5.0
105.07020	100.0
106.07362	3.0
118.06526	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0701
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01585	0.7
51.02378	1.9
53.03942	10.9
54.04247	0.3
55.01865	0.7
63.25699	0.3
70.89935	0.3
73.00703	0.2
75.26817	0.3
77.03913	3.1
79.05488	56.1
80.05820	1.1
81.03410	1.5
95.04962	27.4
96.05287	0.7
103.05462	42.1
104.05795	1.1
105.04537	6.0
105.07023	100.0
105.11077	0.7
106.07356	3.1
118.06529	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1048.6475
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02910	3.7
73.06549	3.2
75.17779	0.2
81.03396	0.4
84.08141	0.4
86.06066	0.3
86.09694	0.8
87.04458	30.1
88.04801	0.2
89.06020	100.0
90.06362	0.4
91.05476	0.4
91.07580	0.6
95.04971	0.8
105.07027	0.4
107.04932	0.6
107.07058	4.8
110.07124	0.3
112.08699	0.4
113.06001	2.8
115.07568	1.4
117.09124	3.6
120.08091	0.4
129.10156	0.3
130.08607	2.0
131.07024	7.8
133.08588	67.9
134.08934	0.3
135.10109	0.7
151.09651	0.5
157.08560	0.6
159.10147	0.8
161.11684	1.1
175.09636	5.5
177.11200	21.8
178.11586	0.4
193.10727	0.5
201.11189	0.4
203.12871	0.3
219.12251	1.9
221.02551	0.3
221.13815	2.9
223.15361	0.4
229.90105	0.2
239.14893	1.0
265.16321	0.6
283.17337	1.1
309.18933	0.6
325.88278	0.3
327.19888	0.6
353.21689	0.6
371.22839	0.3
405.12213	0.4
441.26431	0.4
444.43021	0.2
549.15906	0.4
550.16730	0.2
573.34064	0.3
794.55542	0.2
1031.61243	0.6
1048.61926	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1040.6297
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02900	0.8
73.06549	1.4
73.78626	0.1
77.03901	0.7
79.05485	6.6
81.03450	0.1
87.04459	7.8
89.06022	33.8
91.05463	3.0
91.07590	0.2
93.07039	0.4
95.04962	3.4
98.21575	0.3
103.05461	5.5
105.07020	100.0
106.07354	0.7
107.04980	0.2
107.07069	1.1
108.34225	0.1
113.06005	0.5
115.05431	0.3
115.07607	0.2
116.06281	0.3
117.07018	0.4
117.09116	1.9
119.04897	0.2
119.08561	0.5
121.06488	2.5
128.06213	0.2
129.06996	1.2
130.07808	0.1
130.08612	0.8
131.07060	2.4
131.08554	6.9
133.08589	25.0
134.08925	0.2
135.10143	0.3
145.06490	0.3
147.08034	2.4
149.09613	0.7
150.61382	0.1
151.09610	0.2
155.08521	0.2
157.10025	0.2
159.10162	0.2
161.11752	0.5
163.11150	0.1
165.06993	0.5
165.09055	0.3
166.07768	0.4
167.08495	0.1
169.10045	0.2
173.09601	0.5
175.09668	1.6
175.11084	0.1
177.11209	9.6
178.07780	0.2
179.08565	0.3
179.12801	0.1
181.10110	0.7
183.10234	0.1
191.10597	0.4
193.10399	0.1
195.11823	0.1
203.08545	0.2
207.11650	0.2
209.11472	0.2
209.13210	0.4
211.13206	0.1
218.10980	0.2
219.12315	0.6
221.09668	0.1
221.13864	1.4
222.10329	0.1
223.11134	1.2
223.15343	0.2
225.12714	6.1
225.14943	0.3
226.12895	0.1
227.12772	0.4
230.07947	0.2
235.14893	0.3
237.12663	0.2
239.14720	0.4
249.12732	0.5
251.14288	12.6
252.14612	0.2
253.13560	0.2
253.15929	3.0
265.16397	0.2
267.13867	0.6
267.17606	0.3
269.15341	1.2
271.15445	0.2
283.17358	0.5
295.16791	0.7
309.18921	0.2
311.16541	0.5
313.18076	1.0
315.17838	0.2
327.17261	2.4
329.18967	12.6
330.19177	0.3
339.19427	0.1
353.18884	0.6
355.20425	0.7
357.20602	0.2
371.20007	0.8
373.21588	3.9
375.21555	0.3
401.23129	0.3
417.23999	0.3
419.23965	0.2
427.45590	0.1
431.23459	0.2
433.25095	0.4
450.94052	0.1
463.26074	0.2
477.27878	4.7
527.36633	0.1
567.82117	0.1
815.47272	0.3
919.53387	0.2
952.31110	0.1
1023.59448	0.2
1040.63391	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1040.6296
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02904	1.0
73.06550	1.5
77.03918	0.6
79.05481	5.9
81.03397	0.2
87.04459	7.7
89.06020	36.6
90.06364	0.1
91.05466	3.2
91.07616	0.2
93.07048	0.4
93.61842	0.1
95.04961	3.4
103.05459	5.9
104.06297	0.1
105.07016	100.0
106.07355	0.9
107.04974	0.2
107.07059	1.4
113.05999	0.6
115.05418	0.4
115.06160	0.1
115.07580	0.3
116.06184	0.2
117.06971	0.6
117.09119	1.7
119.04931	0.3
119.08548	0.7
121.06491	2.3
128.06190	0.2
129.06978	1.6
130.08615	0.8
131.07048	2.9
131.08548	6.4
133.08586	27.5
134.08920	0.2
134.14230	0.1
135.10156	0.1
143.08521	0.1
145.06474	0.4
147.08025	2.5
147.11812	0.1
149.09599	0.9
151.09648	0.3
153.06894	0.1
155.08542	0.2
157.08658	0.1
157.10172	0.1
159.10164	0.3
161.11652	0.5
163.11115	0.1
165.06966	0.3
165.09068	0.5
166.07777	0.3
167.08612	0.1
169.10106	0.2
173.09561	0.7
175.09657	1.9
175.11130	0.2
177.11198	9.0
178.07784	0.2
179.08537	0.2
179.12802	0.1
181.10101	0.5
183.10072	0.1
191.08400	0.1
191.10715	0.2
192.09299	0.2
193.10582	0.2
193.12202	0.2
194.07060	0.1
195.12199	0.1
197.09605	0.1
207.08006	0.1
207.11703	0.2
208.08855	0.1
209.09721	0.1
209.11552	0.1
209.13297	0.4
219.12225	0.6
221.09590	0.1
221.13800	1.6
223.11159	0.9
223.15355	0.2
225.12703	6.0
226.13115	0.1
227.12686	0.2
235.14792	0.4
237.12738	0.2
239.14806	0.4
248.74051	0.1
249.12706	0.7
251.14279	13.6
252.14725	0.3
253.15895	3.8
255.15878	0.1
265.16489	0.2
267.13797	0.6
267.17700	0.3
269.15338	1.6
271.15332	0.4
277.15793	0.2
277.66812	0.1
279.15881	0.1
283.17484	0.7
295.16821	0.6
297.18469	0.1
309.19067	0.2
311.16412	0.7
311.20697	0.1
313.18073	1.1
315.18015	0.3
325.15891	0.2
327.13425	0.2
327.17273	2.9
329.18945	12.6
330.19168	0.3
339.19522	0.2
353.18680	0.7
355.20523	0.5
357.20563	0.3
367.83054	0.1
371.19873	1.1
373.21594	3.8
375.21707	0.2
397.24127	0.2
405.51273	0.1
415.22339	0.2
417.23694	0.2
419.24326	0.2
431.23782	0.2
433.25272	0.2
445.25601	0.1
463.26761	0.2
477.27863	4.2
478.28043	0.2
505.29507	0.1
507.29349	0.2
521.30682	0.1
549.32013	0.1
593.34357	0.1
815.47021	0.3
879.80847	0.1
919.52875	0.3
1023.59387	0.3
1040.62268	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38676	0.9
58.06606	5.8
59.07362	1.3
60.08160	54.6
62.92987	2.6
64.01894	2.3
70.90656	3.1
75.34866	0.9
78.53838	0.8
88.37607	1.1
100.78902	0.9
104.10738	100.0
105.04513	1.5
105.11062	1.7
118.32979	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55307	0.6
50.90138	0.6
58.06597	14.7
59.07384	4.6
60.08162	100.0
62.92991	3.1
67.22373	0.6
69.55733	4.0
70.79217	0.6
75.46697	0.6
80.31660	0.6
86.09715	0.6
90.15274	0.6
104.10741	100.0
105.11074	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72176	0.3
58.06596	5.5
59.07377	1.6
60.08160	53.9
61.08504	0.4
62.92986	2.1
64.01884	0.5
71.08981	0.6
74.69504	0.2
85.77976	0.3
86.09683	0.4
87.04435	0.4
89.59429	0.3
104.10737	100.0
105.04498	0.3
105.11063	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42541	0.1
54.59040	0.1
56.04166	0.1
57.02972	0.1
58.06598	7.0
59.07111	0.2
59.07383	2.2
60.08163	62.6
61.07840	0.1
61.08496	0.4
62.92991	0.3
67.15952	0.1
71.49198	0.2
79.05467	0.1
86.09705	0.3
104.10741	100.0
104.84436	0.1
105.10386	0.2
105.11069	1.7
118.39669	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06594	7.2
59.07375	1.9
60.08161	61.6
61.08488	0.6
62.92984	3.7
64.01901	0.9
69.65125	1.2
69.65553	2.3
72.30416	0.4
86.09712	0.5
87.04477	0.9
102.28294	0.4
104.10740	100.0
105.04507	1.3
105.11084	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06601	7.3
59.07387	2.3
60.08164	65.1
61.08498	0.4
62.92971	0.3
70.09195	1.4
75.27570	0.2
90.03829	0.2
94.72009	0.3
104.10746	100.0
105.11069	1.0
110.35090	0.3
111.49409	0.3
113.51842	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06593	7.3
59.07372	2.5
60.08158	64.5
61.08495	0.8
62.31512	0.2
62.92975	0.4
67.32259	0.2
69.00282	0.2
69.32700	1.4
69.33115	0.6
79.03465	0.2
79.05489	0.7
84.65965	0.2
87.04472	0.4
95.04948	0.3
103.05466	0.5
104.10734	100.0
105.07026	1.2
105.11041	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	8.3
59.07378	2.4
60.08162	69.8
61.08498	0.3
69.03423	1.5
70.62606	0.6
82.04302	0.3
86.06076	0.5
86.09718	0.3
87.04467	2.4
88.07635	0.2
92.19358	0.2
98.09799	0.2
104.10741	100.0
105.11073	1.1
120.31323	0.2
123.12650	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1034.7552
Annotation	Unknow
Peak:m/z	Relative Intensity
72.04560	0.2
72.08150	3.3
72.08524	0.2
73.02908	1.0
73.06546	0.1
75.63667	0.1
79.05501	0.3
81.07063	0.4
81.64535	0.1
83.08634	0.2
84.08138	5.5
85.10207	0.5
86.06065	0.2
86.09698	6.3
87.04469	0.5
88.07631	0.4
89.06019	4.3
89.06538	0.2
91.03960	0.2
91.05473	0.2
93.07018	0.2
95.08598	0.2
95.32346	0.1
96.08154	0.5
97.02899	0.2
97.06512	0.2
98.09719	0.2
100.07647	0.4
105.07066	0.2
105.72717	0.1
107.05031	0.2
107.07061	0.2
107.08639	0.3
114.09160	5.3
116.10776	0.3
118.28563	0.1
128.10719	0.2
132.10214	0.3
133.08650	0.3
141.45392	0.1
147.11674	0.1
149.01294	0.1
158.11870	0.2
172.85934	0.1
172.95259	0.2
190.96336	0.2
202.14478	0.3
220.15567	0.2
246.17067	0.2
250.12909	0.2
250.71956	0.1
254.47156	0.1
264.17978	0.2
268.29987	2.0
268.32431	0.2
272.20123	0.8
282.31760	0.6
294.31534	4.8
296.33087	7.6
297.33624	0.2
312.32556	0.7
320.33145	0.2
356.35471	0.5
366.24838	0.3
376.25009	0.4
382.37106	0.2
400.38336	0.3
410.27319	0.3
426.39743	0.2
440.28741	0.2
444.40698	0.3
454.30533	0.2
482.18616	0.3
488.42972	0.7
498.33145	0.2
505.63425	0.2
532.45978	0.8
551.21820	0.2
552.22443	0.4
553.21753	0.3
576.48267	3.4
620.50885	5.2
621.51587	0.3
664.53467	5.0
664.64374	0.2
665.54382	0.3
707.26709	0.3
708.37408	0.2
708.56116	3.8
709.56903	0.2
715.54608	0.2
752.58826	2.3
796.61426	0.4
840.64191	0.4
943.48187	0.4
1034.75562	100.0
1035.75488	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	1030.6874
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58958	1.4
73.02905	2.6
73.06552	4.3
78.61185	0.7
79.05470	2.5
81.07050	2.6
83.08622	1.3
85.10177	17.6
87.03909	1.5
87.04458	44.1
89.06020	100.0
91.05473	17.0
93.07037	5.1
95.04952	4.0
95.08601	1.3
99.41587	0.7
103.05475	1.7
105.07027	6.3
107.04960	3.9
107.07050	4.9
107.08578	2.7
109.02952	0.7
109.06490	0.8
109.10129	1.3
113.06019	1.7
115.05432	0.8
115.07550	1.3
117.07026	2.8
117.09076	3.6
119.04933	3.2
119.08569	5.9
121.06490	16.5
121.10163	1.8
123.08077	0.9
127.14899	1.1
128.88979	0.9
130.08646	4.1
131.06075	0.6
131.07025	13.8
131.08542	1.6
133.08591	62.9
135.08046	4.7
135.11707	1.8
136.05211	1.5
145.10152	1.8
147.08034	9.5
149.09593	5.8
150.06740	3.0
151.09645	1.0
157.08556	0.9
159.10201	1.2
159.11697	1.4
161.09584	0.9
161.11702	1.4
163.07561	1.2
163.11201	3.5
165.09111	4.4
167.10719	1.8
168.91183	0.7
173.09709	0.7
175.09654	8.8
175.11145	1.9
175.14732	0.8
177.09644	1.1
177.11211	22.0
177.12375	0.9
191.10687	3.1
193.10735	1.0
193.12283	1.8
207.10397	0.8
209.11649	1.9
209.56857	0.9
211.13292	3.1
212.43034	0.7
219.12323	2.3
221.13855	2.4
235.13254	1.8
239.14874	1.5
245.18803	0.7
247.20575	16.7
255.15958	2.6
273.18750	0.8
273.22058	4.0
279.16086	1.5
283.17569	1.9
289.21695	1.1
289.25201	1.8
291.19858	1.3
291.23148	24.4
299.18393	1.4
317.24826	2.9
327.20142	1.2
333.23856	0.9
335.25879	4.6
347.71655	0.7
353.21848	1.0
361.27560	0.7
467.33411	0.9
872.84174	0.9
1013.64844	1.5
1030.69324	6.5
1059.55493	1.0
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
50.01604	1.1
51.02380	3.9
53.03949	23.8
55.01868	1.5
56.05030	1.5
56.96572	4.8
57.03425	1.5
57.05372	1.9
58.06598	3.9
59.06129	4.9
60.04526	1.3
60.08163	21.2
60.95846	3.5
62.06081	0.8
62.92981	1.6
69.03415	1.4
71.58009	1.0
75.04448	0.7
75.05599	0.7
77.03931	4.6
79.28293	0.5
81.03418	2.7
85.02923	1.6
85.04895	0.5
86.03224	1.3
86.06050	2.6
87.04466	2.4
88.51567	0.9
95.04971	60.5
96.05299	1.0
101.20119	0.5
102.04680	5.6
103.04056	3.2
103.05470	100.0
103.08700	2.1
103.09444	0.7
103.13190	1.1
104.05810	2.2
104.10747	28.7
105.04514	9.7
120.97930	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	1.4
51.02366	2.7
53.03944	24.6
55.01863	1.4
56.05055	1.0
58.06582	1.1
59.06110	1.4
60.08149	2.4
62.06085	1.3
70.62334	1.6
70.62662	1.0
77.03934	5.3
81.03410	2.7
84.51917	0.7
86.06052	1.7
87.04469	2.4
95.04959	59.9
102.04691	6.7
103.05459	100.0
103.08691	2.6
104.05790	1.9
104.10716	3.8
105.04498	11.5
106.45903	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	1.5
51.02367	4.4
51.49858	1.3
53.03945	30.7
55.01850	1.5
56.05025	2.3
56.29997	1.2
56.96553	3.8
57.05360	2.1
58.06591	5.5
59.06113	3.3
60.04511	1.0
60.08164	16.7
60.95844	4.6
61.99889	1.0
62.06076	5.0
62.92973	2.0
69.03416	7.9
70.23261	4.2
70.23640	2.1
72.26807	1.1
73.07674	2.2
77.03915	4.5
81.03414	3.4
85.07642	1.5
86.06077	9.0
87.04467	16.1
89.52342	2.0
91.89734	1.1
95.04961	59.9
96.05287	1.4
98.52859	1.7
102.04689	6.9
102.96864	1.5
103.05464	100.0
103.08712	9.1
104.05815	1.4
104.10740	32.8
105.04506	11.1
107.98213	1.2
120.97890	1.6
121.01678	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	1.2
51.02369	3.2
51.73911	0.8
53.03699	1.3
53.03941	22.6
55.01881	1.7
56.05034	5.7
56.96560	11.3
57.03429	1.7
57.04525	1.0
57.05367	7.8
58.02939	1.8
58.06595	6.6
59.06116	21.0
60.04523	5.6
60.08159	11.4
60.95830	2.8
61.04041	1.4
62.06081	9.2
62.92981	2.2
67.47845	0.6
68.05024	1.4
69.03419	7.3
71.45411	0.7
71.59439	1.3
72.04491	0.7
73.07658	2.4
75.05588	3.1
77.03923	4.5
79.01875	0.9
81.03400	2.2
85.02899	3.7
85.04832	1.4
85.07645	2.4
86.03223	1.7
86.06059	13.2
87.04459	15.7
88.02362	1.4
88.52573	1.1
89.10133	0.8
89.52350	2.5
95.04958	52.7
98.52885	1.3
102.04672	6.1
102.96848	0.8
103.04017	6.6
103.05457	100.0
103.08691	17.4
104.05775	2.6
104.07077	0.8
104.10728	21.5
105.04498	9.8
109.02308	0.7
121.57314	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.5311
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05488	6.0
81.03420	0.6
81.07056	19.4
82.07363	0.2
83.04961	0.5
83.08143	0.4
83.08619	5.2
85.06523	0.6
91.05476	3.6
93.07037	5.1
95.04943	0.7
95.08606	14.9
96.46215	0.2
97.06515	1.4
97.10164	2.3
98.98465	3.9
99.08083	0.4
105.07021	2.5
107.08591	3.2
109.02873	0.5
109.06483	0.2
109.10150	6.0
111.08080	0.9
111.11715	0.5
119.08588	2.6
121.10138	2.2
123.08042	0.3
123.11701	2.4
125.09618	0.4
133.10139	2.3
135.11687	1.3
137.09601	0.3
137.13272	1.1
145.10197	0.2
147.11688	1.6
149.13249	0.7
151.14862	0.3
153.12740	0.3
155.01045	1.6
161.13232	1.1
163.06056	0.2
163.14828	0.6
173.02161	0.2
175.14818	0.6
177.16428	0.4
184.07376	0.2
189.16437	0.2
191.10254	0.3
205.76352	0.2
237.62439	0.2
245.22684	0.8
261.03610	0.5
261.22208	0.3
263.23703	1.5
296.30972	0.2
317.06207	0.4
335.07483	0.5
335.25848	1.7
337.27356	100.0
338.27734	3.6
425.28958	0.4
561.28033	0.6
578.34625	0.2
742.02728	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.5313
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05489	6.4
81.03401	0.8
81.07053	21.0
83.04980	0.5
83.08618	5.4
85.06525	0.8
85.10134	0.2
91.05476	4.2
92.28131	0.2
93.07040	6.3
95.04948	0.7
95.08603	16.7
97.06516	1.3
97.10159	3.0
98.98467	5.2
99.04435	0.3
99.08088	0.5
105.07027	2.6
107.08570	3.6
109.02879	0.6
109.06498	0.3
109.10152	6.7
110.56927	0.3
111.08064	0.7
111.11708	0.5
119.08575	3.4
121.10145	2.9
123.08091	0.5
123.11689	2.4
125.09604	0.5
125.13351	0.3
131.08577	0.3
133.10133	2.3
135.11682	1.8
137.09557	0.3
137.13254	1.0
142.28101	0.2
145.10181	0.2
147.11670	1.7
149.13246	1.2
151.11171	0.2
151.14865	0.4
155.01025	2.6
161.13260	1.1
163.14787	0.8
165.58774	0.3
173.02126	0.4
175.14803	0.8
189.16403	0.4
245.22719	0.6
261.03680	0.3
263.23737	1.5
280.35611	0.2
317.06339	0.8
335.07492	0.6
335.25885	1.6
335.77405	0.3
337.27353	100.0
338.27652	4.7
425.28961	0.5
453.19284	0.3
561.28076	0.8
602.71509	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1026.5878
Annotation	Unknow
Peak:m/z	Relative Intensity
71.08631	7.6
71.23877	1.0
71.58858	1.1
75.22677	1.0
79.05477	1.1
81.07058	3.6
81.42533	1.0
83.08613	3.9
83.45525	1.0
85.10177	5.3
87.10051	1.0
89.06009	3.7
91.05494	1.5
95.08616	5.9
97.10172	1.5
98.98461	4.1
103.07604	1.3
104.10749	1.8
104.85365	1.0
105.07050	5.1
106.07372	1.9
106.26734	1.1
109.10150	3.3
109.15600	1.0
133.08575	2.0
142.02660	1.3
147.08038	3.9
155.01022	6.2
160.11087	1.1
171.40134	1.2
187.05553	1.0
198.05278	1.9
198.60497	0.9
216.06360	3.0
217.88008	1.0
239.23692	2.2
282.27930	11.5
296.52902	1.1
313.27359	100.0
314.27982	2.2
320.46664	1.2
381.84421	1.3
393.24210	7.8
436.28259	23.5
436.75839	1.2
454.29306	27.2
626.67584	1.2
763.48309	1.3
774.38782	1.2
876.11572	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1024.6192
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04978	0.5
73.02908	2.5
73.06551	2.3
76.56728	0.2
77.03892	0.9
78.87667	0.2
79.05482	7.1
84.97948	0.1
87.04460	15.8
89.06021	65.4
90.06352	0.3
91.05469	14.8
91.07583	0.5
93.07048	1.3
95.04953	4.5
97.06484	0.2
103.05460	8.6
104.06328	0.2
105.07018	100.0
106.07383	1.0
107.04941	2.5
107.07053	2.2
113.05972	1.1
115.05456	1.2
115.07549	0.7
116.06197	1.0
117.07003	2.4
117.09119	3.4
119.04918	1.3
119.08566	6.0
121.06491	12.7
121.10059	0.2
128.06198	2.5
129.06995	4.7
130.08623	1.3
131.04883	0.3
131.07016	5.6
131.08548	11.0
132.05667	1.2
132.08839	0.3
133.08588	45.4
133.10179	1.3
134.08907	0.3
135.08031	1.1
135.10146	0.3
141.06978	0.2
143.08543	0.2
145.06474	1.4
145.10120	0.2
147.08031	54.5
148.08383	0.6
149.09595	11.6
151.09604	0.4
155.05997	0.4
155.08527	0.3
157.08568	0.3
157.10123	0.3
159.08025	0.3
159.10161	0.4
161.11691	0.9
163.07535	0.4
163.11174	0.4
165.06989	0.6
165.09088	0.8
166.07741	0.7
171.08052	0.3
173.09619	1.4
175.09673	3.5
175.11139	0.5
177.11203	15.5
178.07738	0.3
179.08530	0.4
179.12726	0.3
181.10094	2.3
191.10645	0.7
193.10516	0.3
193.12198	0.6
197.09471	0.2
201.11115	0.2
205.10126	0.2
207.08061	0.4
207.11710	0.4
208.08817	0.7
209.09737	0.2
209.11598	0.3
209.13358	0.3
219.12216	1.1
220.08926	0.2
221.09621	0.4
221.13837	2.4
222.10287	0.5
223.11131	2.8
223.15266	0.5
225.12714	31.2
226.13069	0.6
227.12746	0.3
229.82741	0.2
234.10254	0.2
235.11182	0.2
237.12837	0.7
239.14822	0.8
249.12708	4.4
251.14302	4.9
255.15831	0.4
265.16269	0.4
267.13766	0.9
267.18008	0.2
269.15320	2.1
270.15628	0.2
271.15302	0.4
283.17435	0.8
295.16855	0.7
299.18350	0.4
309.18872	0.3
311.16275	0.9
311.20090	0.2
313.17896	1.1
315.18057	0.4
327.17160	1.2
329.19028	1.0
353.21866	0.3
373.21597	9.3
374.21872	0.4
375.21814	0.2
397.24274	0.3
399.22385	0.2
415.22083	0.3
417.24152	0.3
445.25784	0.2
514.36041	0.2
571.63605	0.2
1007.58368	0.4
1024.62292	2.0
1025.60303	0.2
1060.11353	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.6032
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04980	0.2
73.02904	0.7
73.06553	1.6
77.03895	0.6
79.05482	5.3
87.04459	9.6
89.06020	37.3
90.06351	0.2
91.05467	3.4
91.07576	0.2
92.05804	0.1
93.07043	0.3
95.04956	2.8
103.05460	5.3
105.07017	100.0
106.07352	1.4
107.04952	0.2
107.07046	1.2
113.05999	0.5
115.05455	0.2
115.07582	0.2
116.06202	0.5
117.06976	0.6
117.09115	1.7
119.04951	0.3
119.08545	0.7
121.06488	2.9
127.92287	0.1
128.06210	0.3
128.68391	0.1
129.07002	1.6
130.07703	0.1
130.08611	1.1
131.07057	2.4
131.08553	6.6
132.08865	0.1
133.08586	23.5
133.10194	0.7
134.08925	0.2
135.08032	0.2
135.10112	0.1
141.07016	0.1
143.08556	0.1
145.06493	0.5
147.08035	2.6
147.11566	0.1
149.09596	0.9
151.09648	0.2
155.08479	0.2
157.08690	0.2
157.10085	0.2
159.10132	0.2
161.11694	0.4
163.07449	0.1
163.11142	0.1
165.07011	0.3
165.09114	0.6
166.07784	0.3
169.10161	0.1
171.08099	0.1
173.09622	0.5
175.09662	1.4
175.11115	0.2
175.16057	0.1
177.11205	6.8
178.07806	0.2
179.08525	0.3
181.10112	0.7
183.10225	0.2
191.08626	0.1
191.10651	0.3
192.09346	0.2
193.10530	0.1
194.10797	0.2
195.08005	0.2
195.11867	0.2
205.10118	0.1
207.11720	0.3
208.08849	0.3
209.11647	0.3
209.13298	0.4
211.13345	0.2
212.28098	0.1
218.10948	0.1
219.12198	0.3
221.09679	0.2
221.13733	0.9
222.10309	0.1
223.11142	1.2
223.15390	0.3
225.12709	6.3
226.13104	0.1
227.12767	0.3
229.80048	0.1
235.11249	0.1
235.14792	0.4
236.11893	0.1
237.12816	0.2
239.14571	0.2
249.12820	0.6
251.14290	14.6
252.14714	0.3
253.15900	3.6
267.13727	0.5
267.17593	0.4
269.15323	1.2
271.15497	0.3
277.15811	0.2
279.16116	0.1
283.17459	0.3
295.17026	0.6
299.18616	0.1
309.15442	0.1
311.16525	0.6
313.18042	0.8
315.17932	0.4
327.17368	2.4
329.18951	10.7
330.19455	0.5
339.19534	0.1
353.18759	0.8
355.20389	0.3
357.20648	0.1
359.20636	0.2
371.19897	0.6
373.21567	2.6
375.21664	0.1
415.22635	0.2
419.24295	0.2
431.23392	0.2
433.25052	0.1
453.07480	0.1
461.26645	0.1
463.26541	0.1
477.27826	2.1
537.83307	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	1024.6195
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04990	0.4
71.38732	0.2
72.77447	0.2
73.02906	2.1
73.06546	2.4
77.03899	0.9
78.62409	0.2
79.05487	7.6
81.03439	0.2
81.07054	0.2
87.04460	15.8
89.06023	62.8
91.05471	14.4
91.07613	0.4
93.07032	1.5
95.04961	4.3
103.05462	9.4
105.07019	100.0
106.07384	0.4
107.04946	3.0
107.07065	2.4
113.06019	1.0
115.05431	0.9
115.07550	0.6
116.06222	0.7
117.07002	2.5
117.09109	3.0
119.04931	1.5
119.08565	6.8
121.06492	11.9
128.06218	2.3
128.45499	0.2
129.06990	4.7
130.08630	1.8
131.04907	0.3
131.07031	5.6
131.08559	10.1
132.05676	1.5
133.06552	1.2
133.08588	44.5
133.10201	1.2
135.08072	0.7
135.10208	0.3
143.08472	0.2
145.06493	1.4
147.08031	49.7
148.08426	0.3
149.09599	11.7
151.09647	0.3
151.46573	0.2
153.07024	0.2
155.05962	0.4
155.08498	0.2
157.08635	0.2
157.10085	0.3
159.08092	0.2
159.10167	0.6
161.09634	0.2
161.11684	1.0
163.07584	0.2
163.11218	0.6
165.06973	0.3
165.09114	0.6
166.07750	0.7
171.08041	0.3
173.09607	1.2
175.09682	3.5
175.11151	0.5
177.11203	15.6
178.07835	0.5
179.08578	0.7
179.12840	0.2
181.10103	2.4
189.45576	0.2
191.10683	1.0
192.09355	0.2
193.10521	0.4
193.12227	0.4
195.11938	0.2
207.08092	0.2
207.11714	0.4
208.08801	0.7
209.11644	0.4
209.13359	0.5
219.12212	0.9
221.09740	0.4
221.13829	2.3
222.10355	0.3
223.11148	3.0
223.15349	0.3
225.12715	31.2
226.13095	0.3
227.12733	0.4
234.10434	0.3
235.14879	0.6
237.12881	0.5
239.14931	0.5
249.12738	5.5
251.14331	3.9
255.15976	0.3
265.16498	0.4
267.13828	0.8
267.18008	0.3
267.25311	0.2
269.15356	2.1
271.15491	0.3
277.15851	0.4
283.17554	1.0
295.16827	0.7
300.57849	0.2
309.19266	0.3
311.16531	1.3
311.19611	0.3
313.17953	1.4
315.18088	0.3
323.18378	0.3
327.17133	1.3
327.20706	0.3
329.19080	1.1
339.19427	0.3
341.19760	0.2
343.21149	0.2
355.19815	0.2
373.21582	9.1
399.22751	0.2
415.22330	0.3
417.24023	0.4
445.25760	0.4
666.21338	0.2
898.92621	0.2
1007.57684	0.6
1024.61743	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.6032
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04988	0.2
73.02901	0.8
73.06554	1.7
77.03919	0.5
79.05485	5.4
81.03419	0.1
87.04462	9.0
89.06024	37.4
90.06360	0.3
91.05470	3.9
91.07606	0.1
93.07037	0.3
95.04964	2.5
98.21500	0.3
103.04887	0.1
103.05461	5.4
105.07022	100.0
106.07349	1.0
107.04958	0.3
107.07052	1.4
113.05988	0.5
115.05444	0.5
115.07576	0.2
116.06230	0.4
117.07012	0.5
117.09124	1.9
119.04914	0.3
119.08576	0.7
121.06491	2.7
123.08351	0.1
128.06215	0.2
129.06996	1.4
130.08644	0.8
131.07062	2.6
131.08556	7.4
133.08592	23.5
133.10199	0.6
134.08926	0.2
135.10156	0.1
144.22067	0.1
145.06483	0.5
147.08047	2.5
149.09637	0.7
150.96507	0.1
153.06926	0.1
155.08566	0.2
157.08730	0.1
157.10083	0.2
159.10170	0.3
161.11743	0.5
163.11166	0.1
165.06999	0.3
165.09090	0.3
166.07761	0.3
167.08615	0.2
169.10036	0.2
171.07898	0.1
173.09601	0.5
175.09676	1.5
175.11119	0.2
177.11203	6.5
178.07758	0.2
178.11607	0.2
179.08580	0.3
179.12790	0.2
180.09291	0.1
181.10115	0.7
183.10152	0.1
191.08566	0.2
191.10622	0.4
192.09290	0.2
195.08105	0.2
195.11833	0.1
203.08577	0.1
207.11659	0.2
208.08774	0.1
209.09750	0.1
209.11638	0.3
209.13359	0.2
211.13240	0.2
219.12274	0.5
221.09547	0.2
221.13792	1.0
222.10138	0.2
223.11191	0.8
223.15407	0.3
225.12718	6.2
226.13225	0.1
227.12772	0.5
229.80130	0.1
234.10269	0.1
235.11108	0.2
235.14949	0.3
236.11989	0.1
237.12823	0.2
239.14615	0.3
249.12764	0.8
251.14302	14.0
252.14531	0.2
253.13544	0.2
253.15929	3.1
267.13760	0.5
267.17661	0.3
269.15320	1.3
271.15375	0.4
277.15924	0.2
295.17081	0.6
311.16257	0.7
313.18051	0.7
315.17908	0.3
327.17355	2.2
328.17758	0.1
329.18964	12.0
330.19296	0.4
353.18817	0.5
355.20343	0.6
357.20370	0.1
359.20523	0.2
371.20013	0.6
373.21609	3.1
374.21912	0.1
415.22549	0.1
419.24225	0.2
428.32919	0.1
477.27872	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	1018.7602
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04999	0.2
71.08620	1.0
71.58880	0.2
72.08150	3.8
73.02910	1.0
73.06538	0.3
79.05479	0.2
81.07048	0.2
82.06554	0.3
84.08135	5.2
85.10175	0.7
86.06054	0.3
86.09697	7.4
87.04470	0.6
88.07623	0.5
89.06023	4.9
91.05521	0.2
93.07028	0.2
93.81546	0.2
95.08598	0.2
96.08141	0.6
98.09694	0.3
100.07595	0.3
102.09193	0.3
105.07036	0.2
107.08540	0.2
112.07605	0.3
114.09153	6.2
116.10751	0.2
119.08594	0.3
130.12268	0.2
132.10229	0.4
133.08617	0.3
133.10129	0.2
141.87299	0.1
146.11786	0.1
158.11813	0.3
164.52762	0.1
175.60854	0.2
197.96135	0.1
202.14333	0.2
220.15498	0.2
239.38261	0.2
278.19656	0.3
280.29999	0.2
296.33054	2.3
297.08127	0.1
297.33716	0.2
310.34778	0.5
322.34653	6.5
323.35110	0.3
324.36206	9.0
325.36456	0.3
340.35757	1.2
352.23450	0.5
366.37509	0.3
384.38376	0.4
396.25891	0.3
410.27560	0.5
428.40805	0.7
440.28403	0.2
454.30301	0.4
472.43683	0.3
477.38168	0.2
498.33469	0.2
516.46210	1.6
560.48767	1.5
565.01007	0.2
604.51453	4.8
648.54010	7.0
649.54144	0.3
692.56610	5.8
693.57318	0.3
736.59357	3.7
780.61847	1.0
824.65277	0.8
912.70581	0.2
1018.76019	100.0
1019.76080	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	1018.5939
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01349	1.8
71.04990	5.3
73.02913	2.1
77.03917	1.8
79.05484	79.7
81.03408	20.5
81.07046	100.0
82.07366	1.1
83.04975	17.3
83.08607	19.2
83.70514	0.9
85.02893	13.1
85.06527	4.9
85.62782	0.9
86.09706	1.7
87.04446	2.2
91.03944	4.2
91.05470	73.3
92.05784	1.0
93.07033	77.7
95.01271	1.3
95.04952	22.2
95.08595	45.0
96.04502	1.3
97.02883	9.5
97.06516	22.1
97.10154	14.8
99.04445	2.6
99.08077	3.0
103.05498	1.8
105.07019	54.3
107.04940	18.3
107.08582	53.1
109.02894	3.4
109.06509	9.6
109.10137	19.1
111.04424	1.1
111.08065	7.9
113.06009	1.2
113.09619	2.5
115.05442	4.8
116.06184	2.0
117.07002	26.7
119.04918	1.6
119.08566	40.7
121.06495	8.4
121.10133	24.1
123.04398	1.3
123.08045	7.7
123.11703	6.1
125.09609	14.4
127.03913	6.6
128.06224	4.9
129.05551	2.4
129.06992	12.2
130.07762	2.0
131.08559	33.7
132.10210	1.2
133.06490	4.5
133.10118	37.4
135.08020	9.2
135.11679	21.1
137.09631	5.5
141.06979	4.1
142.07768	2.4
143.08548	12.1
145.04985	2.0
145.06462	3.1
145.10106	27.4
145.11255	1.4
147.08040	4.0
147.11668	18.1
149.09607	20.3
149.13248	16.2
151.11209	3.6
153.09143	2.1
154.07819	1.0
155.08516	6.5
157.06448	1.6
157.10106	12.1
159.08116	2.8
159.11679	23.1
161.09621	3.5
161.13281	6.5
163.05983	1.2
163.07542	1.3
163.11180	14.1
165.09151	1.1
165.12708	2.8
167.08586	2.0
168.09261	1.5
169.10101	7.5
171.08041	1.5
171.10242	2.6
171.11682	9.8
173.04439	4.4
173.09608	2.7
173.11864	2.2
173.13210	11.4
175.11168	2.8
177.12730	6.3
179.10696	1.6
179.14307	5.5
181.10115	2.9
181.12253	2.0
183.11646	6.6
185.13304	5.6
187.11176	3.6
187.14772	2.6
189.11198	9.8
189.12711	2.3
191.14223	1.5
193.10153	1.9
193.12094	1.2
195.11833	2.4
195.13770	6.8
197.13229	4.1
199.14870	2.2
201.12798	2.0
209.13313	2.2
211.14857	1.7
213.12941	1.7
227.12743	17.4
227.17859	1.2
229.12285	1.1
229.14322	4.1
229.19527	4.1
239.17996	3.8
245.13702	2.7
245.18915	1.2
247.20569	4.1
253.17953	1.7
255.15843	13.4
257.18982	12.7
259.20541	1.2
267.15909	3.6
269.17450	35.7
273.18399	2.1
275.20035	55.5
291.19431	1.9
293.17902	1.6
293.21127	4.2
307.20282	1.1
313.21689	1.3
321.16531	1.3
321.24197	1.3
327.23181	1.5
331.22589	6.0
339.18115	1.1
349.23694	49.8
350.23969	1.2
367.24792	5.2
413.21625	2.0
423.26904	1.8
431.28055	1.5
433.30502	1.5
435.27393	1.7
439.27054	1.8
445.29605	3.4
447.31250	2.0
449.28979	19.3
451.31967	1.8
463.30460	23.5
469.32755	1.7
471.30701	1.4
483.26785	1.1
503.33524	3.3
515.37177	2.6
518.23993	1.6
519.33295	2.5
525.35754	5.7
527.36957	2.1
529.35321	12.9
543.36786	55.0
544.36847	1.9
547.35559	1.8
549.38892	1.4
561.37592	7.0
585.36884	1.4
593.33087	1.7
605.41724	2.3
607.34857	3.0
623.42969	17.5
641.44177	8.0
676.47424	2.2
687.40295	3.1
772.51788	1.3
963.62738	1.6
1019.50568	3.3
1025.07422	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5941
Annotation	Unknow
Peak:m/z	Relative Intensity
70.92080	2.2
70.92452	2.1
71.01338	1.3
71.04995	5.7
72.62183	0.9
73.02889	2.4
77.03905	2.0
79.05486	68.7
80.05808	1.2
81.02961	1.6
81.03410	17.6
81.07051	100.0
83.04472	1.2
83.04971	15.6
83.08141	1.1
83.08616	20.2
85.02897	14.2
85.06550	4.9
91.03935	4.3
91.05472	64.6
92.05775	1.3
93.07037	73.1
95.04966	19.3
95.08597	42.5
97.02879	10.1
97.06522	22.4
97.10165	15.0
99.04427	1.7
99.08079	4.7
103.05432	2.3
105.04510	1.3
105.07024	58.2
107.04276	1.2
107.04947	15.0
107.08585	54.5
109.02877	2.6
109.06513	9.7
109.10142	19.1
111.04408	2.1
111.08060	8.4
113.09628	2.1
115.05414	4.6
116.06197	1.5
117.06207	1.8
117.07002	25.6
119.04883	1.1
119.08571	38.6
121.06522	8.6
121.10133	27.0
123.04420	1.0
123.08038	6.7
123.11691	7.2
125.05943	1.3
125.09638	9.4
127.03915	5.2
128.06190	3.2
129.05441	2.8
129.06987	10.9
130.07759	2.1
131.08551	31.1
133.06462	3.3
133.10115	35.6
135.08052	9.1
135.11676	20.9
137.09618	4.6
139.11165	2.2
141.06978	4.0
142.07779	2.1
143.08560	11.1
145.04979	2.0
145.06471	4.4
145.09016	1.8
145.10109	25.0
147.08023	2.8
147.11676	18.8
149.09605	19.3
149.13260	18.0
149.14467	0.9
151.11154	5.3
155.08533	6.9
157.10091	8.3
159.08044	1.6
159.11673	21.5
161.09624	3.7
161.13272	7.7
163.07541	1.0
163.11176	14.3
163.14815	1.4
165.12714	3.2
167.08481	2.2
169.10133	6.8
171.10326	1.7
171.11639	7.6
173.04446	4.4
173.09610	2.1
173.11850	1.4
173.13222	9.3
175.11198	4.6
175.14732	1.4
177.12718	6.3
179.14305	4.4
181.10118	2.8
181.12193	3.1
181.24677	1.1
183.11687	5.8
185.13231	4.4
187.11201	2.9
187.14775	3.5
189.11168	7.0
189.12747	2.1
189.16373	1.0
193.10292	1.3
193.12271	1.4
195.11697	3.3
195.13770	8.5
197.13263	6.2
199.14825	1.8
201.12645	1.4
201.16513	1.7
205.12207	2.3
207.13824	1.0
209.13222	1.9
213.12831	1.5
213.14668	1.2
213.16464	1.5
215.17882	1.9
217.15863	1.2
219.13696	1.4
227.12746	15.2
229.14313	4.1
229.19482	3.6
233.15314	1.6
239.17906	5.4
245.13794	2.4
247.20586	3.3
251.16360	2.2
253.14290	2.4
253.17928	1.9
255.15865	15.0
257.18951	14.0
261.14828	1.4
267.15845	4.8
269.17453	53.3
273.18411	2.7
275.20041	52.4
283.20245	1.1
291.19513	2.2
293.21030	7.5
303.15991	1.2
313.21655	1.2
321.24182	1.3
323.23563	1.3
331.22586	6.3
349.23712	50.3
353.24521	1.1
367.24768	8.5
389.26910	1.4
395.20660	1.5
413.21552	2.9
423.27209	4.3
431.27618	1.4
433.30573	2.0
435.27240	3.2
439.26810	4.2
445.29327	3.9
447.31448	1.0
449.28946	27.1
451.31961	2.0
463.30542	45.9
469.32898	2.5
503.33386	2.9
515.37256	3.0
519.33087	2.7
525.35791	8.2
529.35333	11.6
543.36768	67.8
547.36285	2.7
561.37885	9.1
583.30640	1.3
593.32312	1.6
605.42419	1.2
607.34772	5.1
623.43225	12.7
641.44049	7.3
669.39880	1.3
687.41071	3.4
705.41705	2.3
1018.56396	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.6873
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07372	3.9
86.09710	31.8
98.98461	2.8
104.10748	29.9
125.00005	19.8
131.99240	0.4
143.01093	0.6
174.10211	0.4
184.07349	100.0
185.07713	0.4
198.08908	0.8
216.21594	0.4
218.13716	0.4
228.10057	0.4
241.38521	0.4
313.27438	0.6
450.05185	0.5
478.32993	2.5
496.33984	25.0
504.34302	0.9
522.35590	18.2
523.36230	0.6
539.64606	0.4
625.45502	0.5
1017.67743	2.3
1040.39294	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1016.5782
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02879	1.0
74.41303	0.4
75.83950	0.4
76.50762	0.4
77.03899	0.7
79.05485	33.8
81.02984	0.5
81.03413	8.9
81.07048	37.1
83.04978	6.7
83.08613	12.2
85.02891	4.7
85.06500	1.7
87.04407	0.6
91.03927	1.0
91.05473	29.1
93.07036	31.2
94.04185	0.5
95.01329	1.0
95.04368	0.7
95.04961	11.9
95.08596	18.0
97.02887	9.7
97.06520	10.6
97.10161	13.8
98.20674	0.4
99.04430	1.2
99.08035	1.6
99.08675	0.4
103.05442	1.0
105.04519	0.6
105.07019	24.7
107.04285	0.7
107.04947	9.5
107.08583	25.0
109.02826	1.9
109.06509	4.7
109.09461	0.8
109.10146	11.6
111.04404	0.6
111.08068	4.4
113.05936	0.7
113.09586	1.0
115.05418	1.5
116.06206	0.7
117.07008	10.8
119.04886	1.3
119.08570	17.9
121.05759	0.5
121.06499	5.4
121.09330	0.7
121.10130	10.4
123.04407	1.0
123.07275	0.5
123.08045	4.9
123.11684	2.3
124.41579	0.4
125.05955	0.5
125.08751	0.8
125.09614	11.1
127.03877	1.9
127.07499	0.6
128.06175	1.5
129.05441	1.1
129.06990	5.2
130.07715	1.2
131.04817	0.4
131.07573	0.9
131.08553	15.4
133.06488	3.4
133.10117	13.0
134.07231	0.9
135.08041	5.1
135.11670	7.8
137.09612	3.3
137.13147	0.4
139.11160	0.6
141.06941	1.4
142.07735	1.5
143.08540	4.9
143.10608	0.4
145.04929	1.2
145.06454	1.4
145.10107	11.9
146.07225	0.6
147.08026	5.9
147.11687	7.8
149.09605	8.1
149.13243	6.1
151.11150	1.7
151.95667	0.4
153.09045	1.2
155.08534	2.0
156.09227	0.5
157.10094	4.4
159.07973	1.4
159.10435	0.6
159.11676	9.4
161.09595	3.5
161.13203	2.5
162.10323	1.0
163.11171	5.6
165.09061	2.0
165.12694	0.9
167.10608	0.5
169.10101	2.6
169.12206	0.9
171.10117	1.3
171.11639	3.3
173.04405	1.4
173.09511	0.9
173.11693	1.4
173.13240	3.7
175.11171	2.3
175.14804	0.7
177.12775	3.1
179.10635	0.8
179.14252	1.6
181.10008	0.8
181.12173	0.6
183.11649	1.6
185.09593	0.9
185.13264	2.2
187.11177	1.1
187.13344	0.5
187.14864	0.6
189.11215	7.2
189.12756	1.3
193.12192	1.1
195.11839	0.9
195.13760	3.1
197.13228	1.4
199.11215	0.7
199.14854	1.0
201.12737	1.0
205.12209	1.7
207.11588	0.5
211.13203	1.0
213.14650	0.8
213.16479	0.7
215.14508	0.5
217.15823	0.6
219.13716	0.9
223.13264	17.1
227.12756	16.7
227.17834	0.9
229.14297	1.5
229.19525	1.2
233.15260	0.5
239.17923	2.2
245.13805	1.0
245.19041	2.0
247.20560	1.3
249.14801	3.1
253.14285	1.5
253.18054	0.7
255.15639	4.2
257.18994	7.5
263.20126	0.7
267.15894	2.3
269.14462	0.8
269.17438	15.0
273.18472	17.0
275.20038	23.1
285.16974	0.7
287.20007	0.6
289.18164	0.5
291.19513	100.0
292.19855	1.6
293.17578	1.0
293.21030	1.7
309.20618	0.9
313.22116	0.5
315.23279	0.5
321.24045	0.7
331.22540	2.1
347.22217	3.4
349.23706	24.4
350.24240	0.6
365.23196	51.4
366.23413	1.1
367.24689	1.8
395.20526	0.5
395.29218	0.5
397.22073	0.6
413.21707	1.1
439.26715	0.6
439.32440	0.6
461.28961	2.0
479.29529	0.6
519.32996	3.3
527.34039	1.0
535.32678	4.5
541.35138	5.1
543.36548	2.1
545.34711	14.4
547.37573	0.6
559.36249	58.6
560.36890	1.9
599.39325	1.1
603.39667	0.6
611.42755	1.0
621.41650	2.6
639.42487	43.5
640.42200	1.0
657.43646	5.0
679.36353	0.8
681.43390	0.6
685.39111	1.1
703.40576	3.2
783.46753	0.6
801.47491	1.0
987.85303	0.5
1016.47662	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1016.5787
Annotation	Unknow
Peak:m/z	Relative Intensity
70.64137	3.1
71.04977	4.2
73.02908	1.2
79.05485	41.6
81.03405	10.7
81.07049	50.6
83.04970	7.9
83.08608	13.2
85.02890	5.2
85.06509	3.2
89.06027	1.6
91.03946	2.1
91.05472	39.5
93.07035	40.8
95.04962	14.9
95.08597	21.9
95.09082	0.7
96.22050	1.0
97.02879	10.7
97.06509	11.1
97.10159	15.2
99.04444	1.2
99.08059	1.7
103.05461	2.6
105.07022	32.9
107.04947	11.1
107.07849	2.0
107.08580	31.9
109.02885	1.9
109.06521	6.3
109.10147	16.0
111.04398	1.9
111.08054	4.0
115.05428	2.5
117.07005	16.0
119.04911	1.4
119.08575	20.9
121.06496	6.4
121.10136	12.4
123.04392	1.2
123.08084	4.4
123.11695	4.4
125.09621	10.4
127.03907	2.6
128.06175	2.1
129.06981	7.8
130.07802	0.9
131.08548	15.6
133.06483	3.6
133.08617	0.9
133.10115	21.6
133.11075	1.7
135.08022	6.5
135.11684	11.5
136.70052	0.7
137.09595	3.5
141.06981	1.6
142.07709	1.9
143.08536	5.4
145.06511	2.1
145.10117	11.7
147.08014	7.0
147.11688	8.0
149.09615	9.8
149.13249	8.9
151.11142	5.3
152.05643	2.9
153.09088	1.2
155.08517	2.0
157.10056	5.2
159.08017	1.5
159.11670	8.6
161.09637	4.0
161.13261	3.1
163.11186	6.6
165.09093	2.2
165.12790	1.0
165.52251	0.8
169.10190	2.5
169.12233	1.9
171.10207	1.3
171.11687	3.2
173.04419	2.4
173.09595	1.3
173.13228	3.0
173.66434	0.9
175.11185	3.0
177.12737	4.8
179.14346	1.3
183.11620	2.2
185.09586	1.0
185.13197	1.3
187.11160	1.5
187.13232	1.1
187.14792	2.0
189.11217	5.5
193.12233	2.1
195.13791	4.3
197.13280	1.9
201.16309	1.1
205.12218	2.1
217.19496	1.0
223.13252	19.3
227.12752	11.6
227.17923	1.5
239.17870	1.4
245.13638	1.2
245.18971	2.3
247.20673	1.1
249.14833	3.4
251.16599	1.6
253.14339	9.9
255.13620	1.0
255.15746	6.0
257.18948	5.3
261.14658	1.1
263.20053	2.4
267.15881	3.3
269.17447	28.9
273.18445	19.3
275.20041	19.1
291.19516	100.0
292.19931	2.4
293.21100	2.6
297.16907	1.2
299.19937	0.9
309.20374	0.9
321.24164	1.5
331.22534	1.3
333.14960	1.1
347.22083	5.2
349.23752	18.8
359.09781	0.9
365.23206	54.1
367.24753	1.8
413.21759	1.7
465.28571	2.4
479.30173	1.3
519.33032	3.5
527.33588	1.7
535.33014	1.2
541.35333	7.4
545.26782	1.4
545.34601	17.8
546.34741	1.2
559.36243	94.9
560.36487	4.5
621.41187	4.5
639.42505	24.8
657.43530	5.7
692.44452	1.2
703.40094	3.7
1015.71021	2.0
1017.55432	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	1012.6137
Annotation	Unknow
Peak:m/z	Relative Intensity
71.09766	0.4
71.10125	0.7
73.02905	0.7
73.06542	1.1
77.03945	0.7
79.05482	5.5
84.40066	0.4
87.04459	7.7
89.06020	28.7
91.05457	2.9
95.04958	2.5
103.05439	4.4
105.07016	100.0
106.07346	0.8
107.07070	1.4
117.07026	1.1
117.09114	1.2
121.06497	2.4
129.06981	0.9
130.08626	1.3
131.07059	1.8
131.08556	9.1
133.08585	23.8
138.69263	0.4
147.08002	1.5
149.06001	0.8
157.10072	0.5
165.09079	0.5
166.07791	0.6
167.08481	0.5
172.85756	0.3
173.87381	0.4
175.09656	1.1
175.11096	0.4
177.11201	8.2
179.08496	0.6
181.10088	0.8
191.10648	0.4
194.10922	1.2
202.97820	0.3
209.13231	14.0
211.11101	0.6
219.12161	0.4
221.13776	1.6
223.11150	0.5
225.12711	2.7
235.14778	0.9
237.12564	1.9
239.14865	0.4
249.12636	0.5
251.14304	3.3
253.16003	0.6
269.15329	2.0
277.15588	0.4
283.17645	0.5
295.16782	0.6
313.18155	0.5
315.17480	1.8
327.17380	1.1
329.18967	2.1
355.20535	2.9
373.21249	1.8
431.23499	0.9
433.25287	2.4
477.27744	1.4
581.33911	1.6
683.39368	0.6
925.10779	0.5
1012.65442	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.6404
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06580	0.8
70.08177	0.4
71.07375	3.8
71.59740	0.4
79.05490	0.6
81.07030	0.5
84.08112	0.4
86.09703	32.1
91.05473	0.4
93.07050	0.4
95.08552	0.5
98.98452	3.2
104.10741	26.9
125.00001	21.9
143.01053	0.5
171.48479	0.3
182.58142	0.3
184.07336	100.0
185.07703	0.7
198.08942	0.6
214.62627	0.3
284.37366	0.3
424.83438	0.4
471.95389	0.4
476.31339	1.3
494.32394	15.8
500.31903	1.9
518.32422	23.7
519.32996	0.7
977.70618	0.4
1011.64801	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71945	1.0
55.05498	4.1
56.05032	49.1
56.75758	1.0
56.96560	1.2
57.04561	6.7
58.02963	1.9
58.05334	1.3
58.06598	3.2
59.06122	100.0
59.93108	1.3
59.99932	1.2
60.04522	31.0
69.04551	2.9
70.81357	0.9
71.17519	2.6
72.06899	3.6
72.08153	2.4
73.07671	2.3
74.06069	8.7
83.01486	1.2
83.06098	10.3
84.04500	14.3
84.06876	2.4
84.08142	1.1
100.01862	1.0
100.02480	3.3
101.00847	5.3
101.02541	12.4
101.07138	22.2
102.02222	5.2
102.05559	1.1
105.12597	0.9
112.07825	1.0
118.03529	1.9
119.01917	44.0
119.03613	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	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.0
56.05032	5.0
56.96573	0.7
58.06597	0.7
59.06123	6.9
59.60510	0.6
59.99941	0.8
60.04513	2.6
68.05062	0.7
71.16862	1.1
79.01846	0.6
83.01512	1.4
84.45142	0.8
100.02484	3.5
101.00874	12.5
101.02557	13.0
101.07127	2.4
102.00901	0.7
102.02237	5.2
118.03539	1.8
119.01920	100.0
119.03610	9.8
119.71394	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	1.1
53.03939	10.2
55.01823	4.5
55.02113	0.9
55.05507	13.8
55.05753	0.8
56.05031	18.3
56.96560	42.1
56.96827	2.2
57.03431	4.6
57.04526	0.9
57.07008	0.7
58.06598	3.5
58.96113	2.0
58.99858	4.2
59.04995	9.9
59.06118	28.0
59.52146	2.7
59.93103	5.5
59.96129	2.2
59.99893	1.7
60.04517	4.1
60.95847	16.3
60.99574	0.9
61.02875	2.2
65.52148	2.8
66.52956	0.7
67.51022	1.1
68.00211	2.3
68.02641	3.3
68.11852	0.5
68.52695	1.5
68.99755	1.1
69.01892	1.4
69.03411	1.2
69.04496	0.6
70.98082	2.6
70.99825	1.6
71.01308	2.5
71.02943	0.7
71.04951	0.9
71.45659	1.0
71.95231	1.3
72.04479	0.8
72.08150	5.7
73.02908	6.9
73.07654	1.2
73.52805	0.6
74.02428	4.7
74.06071	4.8
74.48190	0.6
74.52682	0.8
75.00999	0.9
77.00854	12.2
78.00951	2.6
78.52897	0.8
79.00625	1.4
79.01833	3.2
79.51891	0.7
80.52670	1.5
81.02988	1.1
81.03409	12.8
81.53475	0.8
82.01396	2.1
83.00780	3.1
83.01491	2.2
83.04974	3.6
83.06038	1.0
84.01138	0.9
84.01600	1.1
84.04494	7.4
84.06865	1.4
84.08127	3.5
84.52930	1.1
85.02900	7.4
85.53699	1.9
86.01308	2.9
88.99116	2.4
89.00216	2.9
89.00815	1.6
89.50280	0.8
90.01545	0.6
90.02402	0.7
92.01259	2.3
92.98611	0.6
94.54181	1.1
95.01952	4.9
95.04873	0.6
96.02007	1.4
97.01653	1.0
98.00725	1.9
98.01269	4.0
98.50957	0.8
98.52672	1.0
98.97578	4.0
99.00630	0.7
100.02470	28.0
101.00874	8.3
101.02538	31.6
101.06020	3.4
101.07108	4.2
101.07909	1.9
101.63120	0.6
101.92129	0.6
102.01211	2.0
102.02232	13.6
102.02889	0.7
102.05529	5.4
102.09176	2.9
103.02444	1.1
104.30042	0.7
107.00177	0.9
107.01796	1.7
109.03410	0.6
110.97556	0.6
114.04013	0.7
115.01182	1.5
116.98630	4.7
117.95971	2.4
118.03512	23.6
118.96745	1.2
119.01911	100.0
119.03608	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	1007.5933
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06225	1.2
71.01371	0.3
71.04993	0.5
73.02914	2.2
73.06544	2.9
77.03934	0.8
79.05484	7.2
79.62112	0.3
81.07082	0.3
85.02865	0.4
87.03915	0.5
87.04460	17.0
89.06023	59.8
91.05471	16.4
91.07610	0.3
93.07056	2.1
95.04958	4.6
102.83891	0.3
103.05459	9.3
105.07019	100.0
106.07366	0.9
107.04941	3.0
107.07053	2.4
107.08572	0.3
113.06011	1.0
115.05447	0.9
116.06213	1.0
117.07008	3.2
117.09112	2.6
118.06506	0.4
119.04919	1.5
119.08565	7.5
121.06491	12.3
128.06180	2.2
129.07001	5.6
130.08649	1.5
131.07063	3.7
131.08554	11.0
132.05702	1.6
133.06451	1.1
133.08589	31.7
133.10178	1.3
135.08089	1.3
143.08577	0.3
145.06496	1.6
147.08032	53.5
148.08394	0.7
149.09602	10.9
151.09621	0.4
153.06970	0.4
155.08513	0.4
157.09967	0.3
159.10167	0.4
161.11678	0.4
163.07468	0.3
163.11176	0.7
165.06961	0.6
165.09077	0.6
166.07724	0.7
173.09633	1.5
175.09644	2.4
175.11154	0.7
177.11211	8.4
178.07756	0.5
179.08513	0.8
181.10074	1.9
183.06514	0.3
191.10619	0.7
192.09363	0.6
193.12233	0.3
207.08037	0.5
207.11639	0.7
208.08800	0.7
209.11650	0.3
215.58546	0.3
219.12093	0.5
221.09679	0.4
221.13680	0.9
222.10362	0.7
223.11172	2.6
223.15225	0.3
225.12717	21.9
226.13031	0.6
234.10457	0.5
235.11127	0.4
235.14801	0.5
236.11758	0.3
237.12764	0.5
239.14752	0.3
249.12715	4.7
251.14345	3.0
267.13672	0.7
269.15265	1.3
295.16916	0.3
311.16229	0.5
313.18103	0.6
327.17334	1.1
329.18784	0.8
331.14691	0.3
373.21527	4.0
465.23816	0.3
1007.54767	4.2
1007.73303	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.5929
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04974	0.5
73.02913	2.3
73.06550	3.3
77.03932	0.8
79.05487	7.2
85.68547	0.3
87.03909	0.6
87.04458	19.2
89.06022	67.6
91.05470	14.6
93.07034	1.8
93.82078	0.3
95.04958	3.1
103.05462	7.6
104.06197	0.3
105.07018	100.0
106.07354	0.6
107.04967	3.3
107.07063	2.5
107.08557	0.3
113.06002	1.2
115.05437	0.6
115.07568	0.7
116.06232	0.9
117.06998	2.5
117.09143	2.8
118.05864	0.3
119.04939	1.2
119.08569	8.3
121.06493	13.9
128.06194	2.4
129.06999	5.2
130.08640	1.6
131.07047	5.3
131.08548	12.0
132.05688	1.5
133.06548	1.6
133.08589	42.7
133.10190	1.4
135.08051	1.1
145.06503	1.8
147.08031	53.6
149.09598	10.6
157.10213	0.4
158.07222	0.3
159.10146	0.4
161.11710	0.6
163.11142	0.4
165.07019	0.5
165.09100	0.9
166.07730	0.7
171.08131	0.3
173.09573	1.7
175.09657	2.7
175.11160	0.9
177.11206	10.9
179.08514	0.7
181.10077	2.1
191.10739	0.6
192.09373	0.5
193.12271	0.5
194.07330	0.5
207.11671	0.5
208.08813	0.9
219.12355	0.7
221.13731	1.1
222.10541	0.5
223.11169	2.5
225.12715	27.3
227.12672	0.4
236.11897	0.4
237.12791	0.5
249.12691	4.4
251.14333	4.5
255.15881	0.5
267.13730	1.0
269.15393	1.5
271.15500	0.4
276.27121	0.3
283.17575	0.4
295.16888	0.4
311.16501	0.7
313.18069	0.5
327.17316	1.0
329.18869	0.9
338.80142	0.4
373.21628	6.0
415.22711	0.4
526.74615	0.3
750.09894	0.3
756.07733	0.3
823.89142	0.3
845.52301	0.3
912.28680	0.3
1007.52747	1.0
1007.71735	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.5931
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02907	1.0
73.06552	2.3
77.03940	0.4
79.05138	0.1
79.05483	5.5
87.04462	11.6
89.06023	40.5
90.06361	0.2
91.05471	4.0
91.07595	0.3
93.07026	0.7
95.04961	3.0
98.21571	0.4
103.04779	0.3
103.05460	5.6
105.07020	100.0
106.07344	1.2
107.04980	0.3
107.07082	1.3
113.05969	0.5
115.05473	0.4
115.07565	0.3
116.06221	0.5
117.06995	0.9
117.09132	1.9
119.04926	0.5
119.08553	1.1
121.06497	5.4
128.06183	0.3
129.06979	1.4
129.67502	0.1
130.08618	1.2
131.07056	3.2
131.08554	5.9
132.05670	0.2
133.08591	26.4
133.10191	0.8
134.08914	0.3
135.10114	0.3
141.17229	0.2
145.06464	0.6
147.08026	3.8
149.09615	1.4
151.09686	0.2
155.08488	0.3
157.08629	0.2
159.10194	0.3
161.11691	0.6
165.06949	0.7
165.09109	0.6
166.07768	0.6
167.08591	0.2
169.10103	0.4
173.09615	0.3
175.09703	1.8
175.11096	0.3
177.11201	6.4
178.07756	0.2
179.08501	0.4
180.09344	0.2
181.10333	0.2
183.10033	0.2
191.08643	0.2
191.10657	0.6
192.09299	0.4
193.10397	0.2
193.12260	0.5
197.09549	0.4
198.75041	0.2
207.11740	0.2
208.08714	0.2
209.11633	0.4
209.13350	0.3
211.13358	0.4
219.12260	0.5
221.13815	0.8
223.11133	1.4
223.15128	0.2
225.12718	14.6
226.13121	0.2
227.09111	0.2
227.12785	0.3
235.15018	0.2
239.14479	0.3
249.12753	0.7
251.14345	2.2
253.15825	0.5
255.15825	0.3
267.13712	0.7
267.17416	0.2
269.15353	2.7
271.15509	0.4
277.15833	0.3
283.17389	0.3
295.17059	0.9
297.18210	0.2
311.16394	0.4
313.17896	0.7
327.17282	1.2
329.19052	0.8
339.19293	0.2
373.21576	5.5
374.21967	0.2
461.26755	0.2
503.84515	0.2
959.28033	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.5928
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04992	0.2
72.62998	0.2
73.02906	0.8
73.06551	2.0
77.03926	0.6
79.05484	5.4
81.07053	0.2
87.04462	13.2
89.06024	43.2
91.05477	4.0
91.07612	0.3
93.07033	0.7
95.04967	2.5
103.05463	5.4
105.07022	100.0
106.07352	0.6
107.04941	0.5
107.07056	1.7
113.05992	0.6
115.05428	0.3
116.06216	0.3
117.06989	0.6
117.09138	2.6
119.04909	1.0
119.08569	1.2
121.06496	5.4
128.06177	0.4
129.06982	1.4
130.08659	1.4
131.07050	4.1
131.08553	6.6
133.08594	28.7
135.08054	0.3
145.06490	0.6
145.10103	0.2
147.08029	4.1
149.09595	1.7
151.09613	0.4
155.08493	0.3
161.11697	0.4
163.11156	0.3
165.06963	0.6
165.09113	1.1
166.07774	0.7
167.08519	0.3
169.10127	0.5
173.09648	0.4
175.09660	1.9
175.11053	0.4
177.11217	7.5
179.08537	0.4
191.10608	0.4
192.09370	0.5
193.10579	0.2
193.12250	0.2
195.12180	0.2
197.09589	0.2
207.11716	0.4
209.11685	0.5
209.13388	0.2
211.13371	0.3
217.12332	0.2
219.12241	0.4
221.13754	0.6
223.11150	1.8
225.12720	16.1
226.13115	0.2
227.12653	0.3
237.12711	0.4
239.14772	0.4
249.12688	0.7
251.14285	3.3
253.15810	0.6
255.15887	0.4
267.13818	1.0
267.17657	0.2
268.30246	0.2
269.15329	2.6
271.15451	0.4
271.19864	0.2
283.17413	0.3
295.16837	0.9
301.15833	0.4
311.16202	0.4
313.17874	0.8
315.17746	0.2
327.17316	1.5
329.18738	0.8
339.19470	0.2
340.87134	0.2
353.18857	0.2
355.20462	0.3
355.24380	0.2
373.21594	6.8
401.23486	0.2
542.03149	0.2
607.29724	0.2
696.27319	0.2
1007.54913	0.4
1016.65454	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1004.62
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06586	4.8
71.04990	1.0
71.06895	0.2
71.60066	0.2
71.60426	0.2
72.08152	0.5
72.76756	0.2
73.02906	3.5
73.06548	3.0
81.03430	0.3
81.07050	0.2
82.56716	0.2
84.04501	0.5
84.08131	0.7
85.02892	0.2
86.09687	1.1
87.04459	29.3
89.06020	100.0
90.06355	0.3
91.05473	0.2
91.07585	0.5
93.07061	0.2
95.04958	0.7
96.03133	0.2
97.06500	0.3
101.02332	0.2
107.04958	0.2
107.07059	4.3
110.07142	0.3
113.05999	2.5
115.07566	1.1
117.09122	3.8
120.08083	0.3
129.10205	0.3
130.08615	1.6
131.07027	7.1
133.08586	63.5
134.08919	0.4
135.10127	0.3
136.07552	0.4
137.05951	0.2
139.07565	0.3
139.08707	0.2
141.10172	0.2
151.09596	0.4
157.08588	0.8
159.10190	1.0
161.11664	0.9
161.37029	0.2
169.09717	0.2
175.08203	0.4
175.09641	5.4
177.11201	21.3
179.12775	0.3
184.39702	0.2
193.10684	0.6
195.12308	0.4
201.11182	0.5
203.12691	0.3
219.12250	1.6
221.13850	3.0
223.15396	0.5
239.14922	0.9
265.16458	0.5
267.18021	0.2
271.02032	0.2
283.17487	1.4
307.17117	0.2
309.18979	0.7
327.20178	0.4
338.99496	0.2
353.21475	0.5
355.23297	0.2
371.22696	0.3
397.24234	0.3
441.26950	0.4
609.38873	0.2
987.58014	0.8
1004.60645	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.5987
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04972	7.4
71.59546	2.3
71.60008	2.6
73.02914	4.4
75.02522	2.0
79.05487	91.1
81.03418	10.0
81.07052	96.4
83.04974	10.0
83.08610	16.2
85.02902	17.4
85.06533	6.2
89.58150	2.3
91.03944	5.9
91.05476	95.2
93.07036	100.0
95.04956	19.2
95.08596	59.5
95.84628	1.8
97.02901	11.7
97.06514	14.4
97.10155	13.5
99.08075	5.6
103.05442	3.0
105.07020	91.5
107.04945	9.3
107.08588	65.1
109.06493	9.0
109.10148	30.0
111.08065	6.4
113.09634	2.7
115.05450	3.6
116.06153	2.2
117.07005	44.7
119.08569	69.7
121.06500	6.4
121.10131	39.1
123.08078	5.6
123.11694	6.9
125.06088	2.3
125.09627	12.6
127.03924	5.1
128.06218	7.0
129.06999	26.0
130.07845	2.8
131.08568	52.0
133.06429	4.2
133.10120	56.9
135.08041	6.7
135.11668	23.8
137.09579	6.9
141.07004	8.7
142.07741	4.7
143.08549	22.2
145.04948	3.1
145.10121	41.8
147.08028	5.8
147.11676	42.9
149.09587	11.1
149.13274	14.9
151.11096	4.1
155.08516	13.5
156.09334	4.3
157.10124	27.1
159.08026	3.5
159.11670	32.6
161.09589	5.2
161.13275	23.3
163.11124	8.3
163.14803	2.2
165.06929	2.5
165.09065	2.3
165.12825	2.6
167.08548	6.5
169.10103	17.7
171.11647	29.2
173.04413	4.6
173.11838	2.8
173.13220	17.8
175.11145	3.1
175.14795	11.1
177.12776	2.8
179.08621	3.1
179.14354	3.0
180.09386	2.3
181.10104	9.5
183.11688	16.6
185.13242	16.6
187.11203	3.5
187.14813	7.7
189.11182	5.3
189.12706	2.2
191.57455	2.7
192.12447	2.2
193.09966	3.4
195.11676	12.4
195.13568	2.3
197.13289	14.7
199.14755	12.4
201.16373	3.7
205.15726	2.9
207.11723	3.7
209.13269	7.2
210.72305	1.9
211.14746	9.6
213.12807	2.2
213.16451	3.9
215.14447	2.6
215.18156	2.1
217.15836	2.9
221.13264	3.8
223.14792	4.5
225.16353	2.7
227.12750	8.5
229.14359	6.2
229.19655	2.9
231.21127	6.0
235.14728	3.1
235.16846	3.3
236.13336	2.3
237.16325	3.7
239.17964	4.9
241.19543	19.2
249.16393	2.4
255.15724	3.4
257.18942	8.6
259.20590	56.1
261.22244	3.8
263.17816	2.5
267.15903	5.8
269.17386	15.7
271.20508	2.6
273.18521	9.7
275.20108	24.9
277.21747	2.2
291.19507	8.6
293.21451	2.3
297.22137	2.4
299.23380	2.1
313.21655	2.5
315.23160	7.8
323.23441	2.4
331.22766	4.8
333.24213	59.8
335.25961	11.7
339.23053	3.6
339.26776	2.7
349.23770	19.2
363.27084	2.4
365.23651	4.7
365.28378	4.5
367.23447	2.7
375.26025	2.2
383.24298	4.7
420.15356	2.2
421.30661	3.0
435.32278	8.5
453.33856	3.5
485.32593	2.8
487.34033	2.2
489.35620	2.8
503.33731	2.8
513.35724	33.2
515.38446	9.6
525.35632	3.2
527.37390	46.8
531.36505	4.9
533.39679	8.7
545.37976	6.5
551.40430	5.7
567.39911	5.4
589.42151	3.3
597.45093	3.2
598.01733	2.4
607.34149	3.3
607.43561	64.3
625.44543	65.7
643.45734	17.3
653.39215	3.8
671.40417	3.3
689.42755	4.3
691.45142	2.4
735.21143	2.2
751.47333	3.0
769.48969	5.7
787.49261	2.5
947.45636	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	1002.5986
Annotation	Unknow
Peak:m/z	Relative Intensity
70.89677	3.2
71.04993	6.8
71.60499	3.6
72.53594	3.4
73.02885	3.5
79.05482	71.9
81.03401	11.6
81.07047	81.2
83.04955	9.9
83.08605	17.7
85.02898	14.0
85.06540	4.6
91.03953	8.8
91.05471	100.0
93.07033	83.2
95.04951	21.9
95.08601	53.6
97.02876	10.1
97.06522	12.9
97.10135	10.1
103.05470	8.8
105.06380	6.3
105.07023	78.4
107.04936	14.6
107.08582	51.2
109.06512	10.7
109.10142	24.7
111.08067	5.4
115.05452	6.8
117.07002	29.3
119.08571	65.0
121.06482	9.5
121.10120	27.1
123.08032	5.8
123.11658	7.5
125.09621	5.6
128.06183	9.5
129.06975	25.7
131.08556	48.6
133.10107	46.9
135.07999	7.1
135.11679	21.2
141.06992	9.2
142.07692	6.3
143.08569	17.0
145.10101	36.9
147.08112	3.8
147.11655	37.5
149.09592	9.3
149.13257	12.3
155.08508	11.2
156.09334	5.4
157.10100	20.3
159.11653	36.0
159.12862	4.5
160.43144	3.9
161.09662	6.0
161.13248	15.8
163.11108	7.2
163.80537	3.1
167.08524	4.7
169.10101	20.3
171.11728	18.5
173.09836	4.0
173.11874	3.6
173.13261	16.5
175.14873	5.3
177.12717	4.4
181.10074	8.3
183.11696	14.0
185.13216	17.5
187.14932	5.7
195.11685	9.2
195.13756	4.6
197.13272	9.4
199.14772	8.2
201.12624	4.2
203.14316	4.2
209.13335	6.3
211.14806	6.4
213.16338	7.0
221.13248	3.8
223.14757	3.7
225.16345	6.1
237.16331	5.2
239.17889	5.2
241.19518	20.8
257.18964	7.9
259.20578	43.6
265.19833	4.1
267.15823	3.7
269.17358	12.5
275.19980	28.9
277.21869	4.0
291.19537	3.6
315.23224	6.8
333.24173	42.0
344.84848	3.8
349.23883	17.6
367.24594	4.8
410.15677	3.8
421.31079	4.2
435.32645	5.6
439.32172	3.8
447.32520	3.8
485.32184	4.9
495.34360	5.0
509.35883	4.7
513.35590	25.9
515.37982	8.2
527.37372	29.4
533.39874	4.5
545.38739	7.1
607.34375	4.1
607.43561	60.0
625.44391	49.8
723.88837	4.3
769.48242	6.0
1002.58807	8.4
1003.51740	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	1001.5599
Annotation	Unknow
Peak:m/z	Relative Intensity
72.78638	0.1
73.00574	0.2
79.05519	0.2
83.01090	3.2
83.01553	0.2
84.94954	0.1
87.04477	0.2
89.06030	0.6
91.05509	0.2
95.04846	0.2
97.02644	0.8
98.03394	0.2
103.05470	0.1
105.07026	1.7
106.07380	0.6
110.03453	0.4
111.04192	7.9
112.05008	0.6
113.05798	0.2
125.05792	0.6
127.03667	6.5
127.07303	0.2
133.08632	0.4
136.26772	0.1
139.07281	1.7
141.05200	2.1
141.08865	0.2
144.03961	0.3
144.95584	0.2
155.06773	7.9
156.07579	0.3
158.05473	0.2
169.08339	1.1
171.06264	5.9
172.07057	0.5
183.09906	2.2
183.11247	0.2
184.10715	0.2
185.07852	2.3
188.06544	1.3
199.09398	8.9
200.10043	0.2
201.07388	0.6
202.08060	0.8
213.10954	1.1
214.11885	0.2
215.08882	3.6
215.10863	0.2
216.09688	1.1
217.06929	0.2
218.07616	0.2
227.12511	2.1
229.10478	1.2
230.23680	0.2
232.09229	0.8
243.12029	5.3
244.12726	0.2
245.10107	0.3
246.10730	0.7
257.13580	1.5
259.11520	2.2
259.13931	0.2
261.09518	0.2
262.10300	0.4
270.65710	0.2
271.15131	4.8
273.13049	0.9
287.14624	7.1
289.12576	0.2
301.16104	0.9
303.14069	2.1
315.17764	1.9
317.15652	0.2
331.17215	3.0
345.18872	0.3
347.16696	2.0
347.20419	0.2
359.20554	0.7
375.19849	5.5
391.19394	3.3
391.23920	0.2
392.19662	0.1
403.23294	0.4
413.18878	0.4
419.22455	1.9
435.21997	2.6
435.27066	0.2
447.25757	0.4
463.25116	4.4
464.25830	0.2
479.24554	3.1
507.27740	1.4
523.27301	2.6
551.30359	4.8
551.38599	0.3
552.30676	0.2
567.29803	4.1
568.30432	0.2
595.32770	1.2
1001.55786	100.0
1002.56061	9.7
END